NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15697 | 1ytr | 6561 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 H LYS 1 -4.554 7.938 2.548 2 HA LYS 1 HA LYS 1 -5.684 9.539 3.598 3 2HB LYS 1 2HB LYS 1 -4.248 11.445 4.719 4 2HG LYS 1 2HG LYS 1 -3.565 9.363 6.420 5 2HD LYS 1 2HD LYS 1 -5.951 9.692 7.335 6 2HE LYS 1 2HE LYS 1 -3.724 11.510 7.207 7 1HZ LYS 1 1HZ LYS 1 -4.636 13.460 6.789 8 2HZ LYS 1 2HZ LYS 1 -5.927 12.686 6.158 9 3HZ LYS 1 3HZ LYS 1 -5.949 13.172 7.716 10 H SER 2 H SER 2 -6.117 9.715 1.157 11 HA SER 2 HA SER 2 -5.608 12.479 0.469 12 2HB SER 2 2HB SER 2 -5.194 10.162 -1.472 13 HG SER 2 HG SER 2 -4.501 11.806 -2.922 14 H SER 3 H SER 3 -7.171 9.403 -0.707 15 HA SER 3 HA SER 3 -9.736 10.380 -0.327 16 2HB SER 3 2HB SER 3 -9.462 10.141 -3.265 17 HG SER 3 HG SER 3 -11.366 11.050 -2.799 18 H ALA 4 H ALA 4 -11.394 8.782 -1.144 19 HA ALA 4 HA ALA 4 -12.108 6.712 -1.452 20 1HB ALA 4 1HB ALA 4 -10.572 5.248 -2.995 21 2HB ALA 4 2HB ALA 4 -11.355 6.699 -3.667 22 3HB ALA 4 3HB ALA 4 -9.641 6.752 -3.191 23 H TYR 5 H TYR 5 -12.235 5.213 0.139 24 HA TYR 5 HA TYR 5 -9.696 4.248 1.263 25 2HB TYR 5 2HB TYR 5 -11.403 4.166 3.384 26 HD1 TYR 5 1HD TYR 5 -10.551 7.316 1.512 27 HD2 TYR 5 2HD TYR 5 -9.941 4.924 5.008 28 HE1 TYR 5 1HE TYR 5 -8.991 9.085 2.461 29 HE2 TYR 5 2HE TYR 5 -8.384 6.703 5.944 30 HH TYR 5 HH TYR 5 -7.634 9.617 4.055 31 H SER 6 H SER 6 -10.573 2.704 -0.679 32 HA SER 6 HA SER 6 -12.665 0.983 0.137 33 2HB SER 6 2HB SER 6 -11.940 -0.364 -1.872 34 HG SER 6 HG SER 6 -13.030 2.056 -1.843 35 H LEU 7 H LEU 7 -12.487 -1.230 0.854 36 HA LEU 7 HA LEU 7 -10.301 -1.702 2.565 37 2HB LEU 7 2HB LEU 7 -11.390 -3.806 3.028 38 HG LEU 7 HG LEU 7 -13.468 -1.638 2.618 39 1HD1 LEU 7 1HD1 LEU 7 -13.645 -4.047 4.441 40 2HD1 LEU 7 2HD1 LEU 7 -14.903 -2.834 4.099 41 3HD1 LEU 7 3HD1 LEU 7 -14.387 -3.964 2.825 42 1HD2 LEU 7 1HD2 LEU 7 -11.504 -2.224 4.800 43 2HD2 LEU 7 2HD2 LEU 7 -12.015 -0.667 4.104 44 3HD2 LEU 7 3HD2 LEU 7 -13.094 -1.543 5.217 45 H GLN 8 H GLN 8 -11.396 -3.457 -0.429 46 HA GLN 8 HA GLN 8 -10.256 -4.413 -2.019 47 2HB GLN 8 2HB GLN 8 -7.484 -3.916 -1.431 48 2HG GLN 8 2HG GLN 8 -8.293 -3.958 -3.706 49 1HE2 GLN 8 1HE2 GLN 8 -9.950 -3.861 -5.019 50 2HE2 GLN 8 2HE2 GLN 8 -11.361 -2.872 -4.851 51 H MET 9 H MET 9 -7.706 -5.764 -2.019 52 HA MET 9 HA MET 9 -7.291 -7.221 0.302 53 2HB MET 9 2HB MET 9 -9.476 -8.255 -0.114 54 2HG MET 9 2HG MET 9 -9.141 -7.619 -2.741 55 1HE MET 9 1HE MET 9 -8.110 -9.903 -5.515 56 2HE MET 9 2HE MET 9 -9.706 -9.275 -5.039 57 3HE MET 9 3HE MET 9 -8.266 -8.239 -4.904 58 H GLY 10 H GLY 10 -7.302 -7.182 -3.295 59 1HA GLY 10 1HA GLY 10 -4.499 -8.087 -3.223 60 2HA GLY 10 2HA GLY 10 -5.652 -8.881 -4.276 61 H ALA 11 H ALA 11 -4.890 -5.436 -3.363 62 HA ALA 11 HA ALA 11 -4.016 -4.802 -5.975 63 1HB ALA 11 1HB ALA 11 -5.964 -3.157 -6.376 64 2HB ALA 11 2HB ALA 11 -6.276 -4.883 -6.684 65 3HB ALA 11 3HB ALA 11 -6.863 -4.126 -5.183 66 H THR 12 H THR 12 -6.028 -2.462 -4.274 67 HA THR 12 HA THR 12 -4.158 -0.553 -3.944 68 HB THR 12 HB THR 12 -6.360 -1.243 -1.930 69 HG1 THR 12 1HG THR 12 -6.351 0.272 -4.442 70 1HG2 THR 12 1HG2 THR 12 -5.923 1.528 -2.941 71 2HG2 THR 12 2HG2 THR 12 -6.278 0.974 -1.288 72 3HG2 THR 12 3HG2 THR 12 -4.612 0.908 -1.910 73 H ALA 13 H ALA 13 -4.770 -3.281 -1.661 74 HA ALA 13 HA ALA 13 -3.174 -2.578 0.395 75 1HB ALA 13 1HB ALA 13 -2.612 -5.291 -0.009 76 2HB ALA 13 2HB ALA 13 -3.982 -4.618 0.906 77 3HB ALA 13 3HB ALA 13 -4.183 -5.044 -0.811 78 H ILE 14 H ILE 14 -2.151 -3.960 -2.782 79 HA ILE 14 HA ILE 14 0.461 -4.444 -2.334 80 HB ILE 14 HB ILE 14 -0.858 -3.173 -4.731 81 2HG1 ILE 14 2HG1 ILE 14 -1.744 -5.373 -4.064 82 1HG2 ILE 14 1HG2 ILE 14 1.808 -4.588 -4.744 83 2HG2 ILE 14 2HG2 ILE 14 1.047 -3.627 -6.035 84 3HG2 ILE 14 3HG2 ILE 14 1.660 -2.823 -4.569 85 1HD1 ILE 14 1HD1 ILE 14 -1.130 -6.597 -6.225 86 2HD1 ILE 14 2HD1 ILE 14 -1.752 -4.943 -6.439 87 3HD1 ILE 14 3HD1 ILE 14 -0.005 -5.260 -6.564 88 H LYS 15 H LYS 15 -0.995 -1.212 -3.101 89 HA LYS 15 HA LYS 15 1.346 0.233 -3.081 90 2HB LYS 15 2HB LYS 15 -1.542 0.843 -2.609 91 2HG LYS 15 2HG LYS 15 -0.596 3.341 -2.596 92 2HD LYS 15 2HD LYS 15 -0.314 2.080 0.102 93 2HE LYS 15 2HE LYS 15 -2.199 4.200 -1.037 94 1HZ LYS 15 1HZ LYS 15 -2.626 4.677 1.191 95 2HZ LYS 15 2HZ LYS 15 -2.775 3.054 1.087 96 3HZ LYS 15 3HZ LYS 15 -1.434 3.710 1.748 97 H GLN 16 H GLN 16 -0.729 -0.864 -0.357 98 HA GLN 16 HA GLN 16 0.426 0.613 1.623 99 2HB GLN 16 2HB GLN 16 -1.514 -1.327 1.486 100 2HG GLN 16 2HG GLN 16 0.700 -2.453 3.259 101 1HE2 GLN 16 1HE2 GLN 16 -0.871 -2.564 4.910 102 2HE2 GLN 16 2HE2 GLN 16 -2.138 -3.744 4.890 103 H VAL 17 H VAL 17 1.548 -2.392 0.030 104 HA VAL 17 HA VAL 17 3.478 -3.193 1.808 105 HB VAL 17 HB VAL 17 3.563 -3.238 -1.215 106 1HG1 VAL 17 1HG1 VAL 17 5.158 -4.950 -1.091 107 2HG1 VAL 17 2HG1 VAL 17 5.698 -3.784 0.139 108 3HG1 VAL 17 3HG1 VAL 17 4.834 -5.260 0.632 109 1HG2 VAL 17 1HG2 VAL 17 1.594 -4.300 0.376 110 2HG2 VAL 17 2HG2 VAL 17 2.053 -4.910 -1.232 111 3HG2 VAL 17 3HG2 VAL 17 2.727 -5.666 0.232 112 H LYS 18 H LYS 18 3.557 -0.581 -0.663 113 HA LYS 18 HA LYS 18 6.295 -0.046 -0.434 114 2HB LYS 18 2HB LYS 18 3.959 1.084 -1.745 115 2HG LYS 18 2HG LYS 18 5.314 3.355 -1.972 116 2HD LYS 18 2HD LYS 18 4.089 4.021 0.370 117 2HE LYS 18 2HE LYS 18 2.663 3.245 -2.220 118 1HZ LYS 18 1HZ LYS 18 0.950 4.541 -1.474 119 2HZ LYS 18 2HZ LYS 18 1.375 3.775 -0.095 120 3HZ LYS 18 3HZ LYS 18 1.840 5.321 -0.348 121 H LYS 19 H LYS 19 3.425 0.978 1.443 122 HA LYS 19 HA LYS 19 4.719 3.021 2.866 123 2HB LYS 19 2HB LYS 19 2.151 1.614 2.907 124 2HG LYS 19 2HG LYS 19 1.752 2.588 5.307 125 2HD LYS 19 2HD LYS 19 3.135 0.348 6.166 126 2HE LYS 19 2HE LYS 19 0.483 0.360 4.644 127 1HZ LYS 19 1HZ LYS 19 0.215 -1.383 6.538 128 2HZ LYS 19 2HZ LYS 19 0.860 -1.805 5.098 129 3HZ LYS 19 3HZ LYS 19 1.834 -1.525 6.378 130 H LEU 20 H LEU 20 4.898 -0.467 2.994 131 HA LEU 20 HA LEU 20 5.955 -0.425 5.696 132 2HB LEU 20 2HB LEU 20 4.426 -2.215 4.335 133 HG LEU 20 HG LEU 20 6.525 -2.965 3.059 134 1HD1 LEU 20 1HD1 LEU 20 7.545 -4.805 4.898 135 2HD1 LEU 20 2HD1 LEU 20 8.355 -3.357 4.255 136 3HD1 LEU 20 3HD1 LEU 20 7.455 -3.265 5.787 137 1HD2 LEU 20 1HD2 LEU 20 5.822 -5.468 4.142 138 2HD2 LEU 20 2HD2 LEU 20 4.371 -4.443 4.269 139 3HD2 LEU 20 3HD2 LEU 20 5.163 -4.675 2.692 140 H PHE 21 H PHE 21 7.011 -0.106 2.415 141 HA PHE 21 HA PHE 21 9.617 -1.206 2.871 142 2HB PHE 21 2HB PHE 21 9.529 0.569 0.613 143 HD1 PHE 21 1HD PHE 21 7.521 -2.464 0.322 144 HD2 PHE 21 2HD PHE 21 11.445 -0.862 0.121 145 HE1 PHE 21 1HE PHE 21 8.312 -4.548 -0.832 146 HE2 PHE 21 2HE PHE 21 12.237 -2.945 -1.033 147 HZ PHE 21 HZ PHE 21 10.661 -4.764 -1.496 148 H LYS 22 H LYS 22 7.998 1.816 3.481 149 HA LYS 22 HA LYS 22 9.914 3.698 3.076 150 2HB LYS 22 2HB LYS 22 7.471 3.761 4.094 151 2HG LYS 22 2HG LYS 22 7.598 4.430 6.507 152 2HD LYS 22 2HD LYS 22 8.793 1.784 6.815 153 2HE LYS 22 2HE LYS 22 6.342 1.232 7.336 154 1HZ LYS 22 1HZ LYS 22 6.995 1.891 9.315 155 2HZ LYS 22 2HZ LYS 22 8.110 2.906 8.688 156 3HZ LYS 22 3HZ LYS 22 6.592 3.436 8.971 157 H LYS 23 H LYS 23 9.935 1.006 5.338 158 HA LYS 23 HA LYS 23 12.204 2.178 6.751 159 2HB LYS 23 2HB LYS 23 10.530 1.331 8.217 160 2HG LYS 23 2HG LYS 23 10.259 -0.732 6.160 161 2HD LYS 23 2HD LYS 23 11.597 -1.865 8.181 162 2HE LYS 23 2HE LYS 23 8.722 -1.638 9.171 163 1HZ LYS 23 1HZ LYS 23 9.316 -3.891 9.370 164 2HZ LYS 23 2HZ LYS 23 10.822 -3.553 9.903 165 3HZ LYS 23 3HZ LYS 23 9.529 -3.238 10.851 166 H TRP 24 H TRP 24 11.252 -0.375 4.460 167 HA TRP 24 HA TRP 24 13.638 -1.855 4.619 168 2HB TRP 24 2HB TRP 24 12.903 -2.714 2.379 169 HD1 TRP 24 HD TRP 24 11.555 -2.461 5.871 170 HE1 TRP 24 1HE TRP 24 10.050 -4.525 6.536 171 HE3 TRP 24 3HE TRP 24 11.119 -4.329 1.163 172 HZ2 TRP 24 2HZ TRP 24 8.872 -6.658 5.052 173 HZ3 TRP 24 3HZ TRP 24 9.773 -6.407 0.857 174 HH2 TRP 24 HH TRP 24 8.672 -7.564 2.707 175 H GLY 25 H GLY 25 15.662 -1.199 4.041 176 1HA GLY 25 1HA GLY 25 16.067 0.315 1.618 177 2HA GLY 25 2HA GLY 25 16.390 1.224 3.081 178 H TRP 26 H TRP 26 17.565 -1.182 0.865 179 HA TRP 26 HA TRP 26 19.278 -2.718 2.275 180 2HB TRP 26 2HB TRP 26 18.937 -2.896 -0.121 181 HD1 TRP 26 HD TRP 26 18.691 0.466 0.102 182 HE1 TRP 26 1HE TRP 26 19.498 1.944 -1.930 183 HE3 TRP 26 3HE TRP 26 21.665 -3.091 -1.985 184 HZ2 TRP 26 2HZ TRP 26 21.250 1.471 -4.132 185 HZ3 TRP 26 3HZ TRP 26 22.889 -2.502 -4.075 186 HH2 TRP 26 HH TRP 26 22.718 -0.312 -5.146 Start of MODEL 2 1 1H LYS 1 H LYS 1 -3.689 12.664 7.538 2 HA LYS 1 HA LYS 1 -1.422 11.356 7.950 3 2HB LYS 1 2HB LYS 1 -2.103 11.638 10.783 4 2HG LYS 1 2HG LYS 1 0.482 12.004 9.194 5 2HD LYS 1 2HD LYS 1 0.698 10.948 11.912 6 2HE LYS 1 2HE LYS 1 2.193 12.525 10.101 7 1HZ LYS 1 1HZ LYS 1 2.691 14.242 12.017 8 2HZ LYS 1 2HZ LYS 1 1.645 14.565 10.804 9 3HZ LYS 1 3HZ LYS 1 1.084 14.077 12.258 10 H SER 2 H SER 2 -2.318 9.484 7.267 11 HA SER 2 HA SER 2 -4.071 8.130 8.995 12 2HB SER 2 2HB SER 2 -5.725 7.948 6.792 13 HG SER 2 HG SER 2 -6.614 8.289 8.833 14 H SER 3 H SER 3 -4.618 5.898 8.063 15 HA SER 3 HA SER 3 -2.688 5.225 5.981 16 2HB SER 3 2HB SER 3 -3.184 2.942 7.664 17 HG SER 3 HG SER 3 -0.758 4.203 8.091 18 H ALA 4 H ALA 4 -4.512 5.471 4.457 19 HA ALA 4 HA ALA 4 -5.760 3.076 3.852 20 1HB ALA 4 1HB ALA 4 -7.199 3.269 5.730 21 2HB ALA 4 2HB ALA 4 -7.427 5.017 5.480 22 3HB ALA 4 3HB ALA 4 -8.166 3.854 4.354 23 H TYR 5 H TYR 5 -6.472 3.179 1.729 24 HA TYR 5 HA TYR 5 -7.281 5.690 0.602 25 2HB TYR 5 2HB TYR 5 -5.355 5.524 -1.106 26 HD1 TYR 5 1HD TYR 5 -3.558 4.642 1.969 27 HD2 TYR 5 2HD TYR 5 -5.263 7.845 -0.297 28 HE1 TYR 5 1HE TYR 5 -2.272 6.328 3.372 29 HE2 TYR 5 2HE TYR 5 -3.971 9.520 1.113 30 HH TYR 5 HH TYR 5 -1.835 8.405 3.730 31 H SER 6 H SER 6 -8.927 3.614 0.783 32 HA SER 6 HA SER 6 -10.330 2.618 -0.613 33 2HB SER 6 2HB SER 6 -9.965 2.340 -2.960 34 HG SER 6 HG SER 6 -9.802 4.656 -2.033 35 H LEU 7 H LEU 7 -6.878 1.593 -0.584 36 HA LEU 7 HA LEU 7 -7.206 -1.083 -1.132 37 2HB LEU 7 2HB LEU 7 -5.139 0.578 -0.525 38 HG LEU 7 HG LEU 7 -5.410 -1.382 1.763 39 1HD1 LEU 7 1HD1 LEU 7 -3.120 -1.302 2.205 40 2HD1 LEU 7 2HD1 LEU 7 -3.205 -1.537 0.442 41 3HD1 LEU 7 3HD1 LEU 7 -2.855 0.075 1.110 42 1HD2 LEU 7 1HD2 LEU 7 -5.359 0.405 3.177 43 2HD2 LEU 7 2HD2 LEU 7 -4.395 1.408 2.066 44 3HD2 LEU 7 3HD2 LEU 7 -6.135 1.173 1.771 45 H GLN 8 H GLN 8 -8.772 -2.345 -0.247 46 HA GLN 8 HA GLN 8 -8.538 -3.049 2.441 47 2HB GLN 8 2HB GLN 8 -9.710 -0.805 2.676 48 2HG GLN 8 2HG GLN 8 -11.966 -2.364 1.327 49 1HE2 GLN 8 1HE2 GLN 8 -13.960 -1.713 1.715 50 2HE2 GLN 8 2HE2 GLN 8 -14.434 -0.367 2.696 51 H MET 9 H MET 9 -10.588 -2.828 -0.505 52 HA MET 9 HA MET 9 -11.533 -5.519 0.093 53 2HB MET 9 2HB MET 9 -13.274 -3.740 -0.272 54 2HG MET 9 2HG MET 9 -13.365 -3.186 -2.936 55 1HE MET 9 1HE MET 9 -14.469 -0.243 -0.914 56 2HE MET 9 2HE MET 9 -14.860 -1.681 -1.888 57 3HE MET 9 3HE MET 9 -14.470 -1.855 -0.159 58 H GLY 10 H GLY 10 -9.562 -3.558 -2.048 59 1HA GLY 10 1HA GLY 10 -9.609 -5.149 -4.365 60 2HA GLY 10 2HA GLY 10 -8.344 -4.038 -3.875 61 H ALA 11 H ALA 11 -6.500 -5.256 -4.288 62 HA ALA 11 HA ALA 11 -5.872 -7.281 -2.399 63 1HB ALA 11 1HB ALA 11 -7.355 -8.342 -4.339 64 2HB ALA 11 2HB ALA 11 -5.810 -8.308 -5.222 65 3HB ALA 11 3HB ALA 11 -5.938 -9.201 -3.689 66 H THR 12 H THR 12 -5.040 -6.357 -5.823 67 HA THR 12 HA THR 12 -2.292 -6.569 -5.493 68 HB THR 12 HB THR 12 -4.034 -4.863 -7.348 69 HG1 THR 12 1HG THR 12 -4.179 -7.281 -7.307 70 1HG2 THR 12 1HG2 THR 12 -1.335 -5.871 -8.177 71 2HG2 THR 12 2HG2 THR 12 -2.165 -4.363 -8.630 72 3HG2 THR 12 3HG2 THR 12 -1.328 -4.482 -7.063 73 H ALA 13 H ALA 13 -4.457 -3.719 -5.018 74 HA ALA 13 HA ALA 13 -2.684 -1.749 -4.639 75 1HB ALA 13 1HB ALA 13 -4.372 -1.154 -2.645 76 2HB ALA 13 2HB ALA 13 -4.870 -1.077 -4.352 77 3HB ALA 13 3HB ALA 13 -5.291 -2.497 -3.364 78 H ILE 14 H ILE 14 -3.643 -4.185 -2.120 79 HA ILE 14 HA ILE 14 -2.161 -3.322 -0.040 80 HB ILE 14 HB ILE 14 -2.743 -6.113 -1.011 81 2HG1 ILE 14 2HG1 ILE 14 -4.212 -4.064 0.431 82 1HG2 ILE 14 1HG2 ILE 14 -1.641 -5.359 1.707 83 2HG2 ILE 14 2HG2 ILE 14 -2.060 -6.986 1.123 84 3HG2 ILE 14 3HG2 ILE 14 -0.694 -6.106 0.399 85 1HD1 ILE 14 1HD1 ILE 14 -6.021 -5.902 0.087 86 2HD1 ILE 14 2HD1 ILE 14 -5.299 -5.175 -1.368 87 3HD1 ILE 14 3HD1 ILE 14 -4.761 -6.779 -0.815 88 H LYS 15 H LYS 15 -0.989 -5.380 -2.786 89 HA LYS 15 HA LYS 15 1.604 -5.678 -1.901 90 2HB LYS 15 2HB LYS 15 0.478 -5.532 -4.710 91 2HG LYS 15 2HG LYS 15 2.615 -7.056 -5.052 92 2HD LYS 15 2HD LYS 15 3.452 -4.203 -4.722 93 2HE LYS 15 2HE LYS 15 4.612 -6.040 -6.126 94 1HZ LYS 15 1HZ LYS 15 2.654 -6.911 -7.158 95 2HZ LYS 15 2HZ LYS 15 2.289 -5.470 -7.834 96 3HZ LYS 15 3HZ LYS 15 3.622 -6.283 -8.313 97 H GLN 16 H GLN 16 0.036 -2.968 -3.669 98 HA GLN 16 HA GLN 16 2.293 -1.587 -4.334 99 2HB GLN 16 2HB GLN 16 -0.411 -1.177 -4.576 100 2HG GLN 16 2HG GLN 16 0.641 1.114 -2.858 101 1HE2 GLN 16 1HE2 GLN 16 -0.580 2.852 -2.931 102 2HE2 GLN 16 2HE2 GLN 16 -2.131 3.002 -3.688 103 H VAL 17 H VAL 17 0.575 -1.834 -1.206 104 HA VAL 17 HA VAL 17 1.656 0.309 0.121 105 HB VAL 17 HB VAL 17 1.076 -2.467 1.176 106 1HG1 VAL 17 1HG1 VAL 17 1.107 0.200 2.630 107 2HG1 VAL 17 2HG1 VAL 17 0.727 -1.390 3.334 108 3HG1 VAL 17 3HG1 VAL 17 2.371 -1.049 2.741 109 1HG2 VAL 17 1HG2 VAL 17 -0.684 -0.821 -0.136 110 2HG2 VAL 17 2HG2 VAL 17 -1.133 -2.039 1.080 111 3HG2 VAL 17 3HG2 VAL 17 -0.926 -0.337 1.559 112 H LYS 18 H LYS 18 3.075 -2.924 -0.579 113 HA LYS 18 HA LYS 18 5.345 -2.590 1.026 114 2HB LYS 18 2HB LYS 18 4.316 -4.490 -0.922 115 2HG LYS 18 2HG LYS 18 6.799 -5.385 -1.202 116 2HD LYS 18 2HD LYS 18 6.929 -3.621 -3.274 117 2HE LYS 18 2HE LYS 18 5.178 -5.167 -4.417 118 1HZ LYS 18 1HZ LYS 18 7.408 -6.419 -2.970 119 2HZ LYS 18 2HZ LYS 18 6.690 -6.996 -4.319 120 3HZ LYS 18 3HZ LYS 18 7.552 -5.610 -4.381 121 H LYS 19 H LYS 19 4.511 -1.567 -2.298 122 HA LYS 19 HA LYS 19 7.120 -0.867 -3.058 123 2HB LYS 19 2HB LYS 19 4.391 -0.585 -4.088 124 2HG LYS 19 2HG LYS 19 5.305 1.211 -5.763 125 2HD LYS 19 2HD LYS 19 4.848 2.996 -3.695 126 2HE LYS 19 2HE LYS 19 2.764 1.303 -5.159 127 1HZ LYS 19 1HZ LYS 19 2.002 3.910 -4.725 128 2HZ LYS 19 2HZ LYS 19 1.344 2.563 -4.079 129 3HZ LYS 19 3HZ LYS 19 2.533 3.353 -3.285 130 H LEU 20 H LEU 20 4.802 0.564 -0.868 131 HA LEU 20 HA LEU 20 6.100 3.157 -1.016 132 2HB LEU 20 2HB LEU 20 3.521 2.401 -0.604 133 HG LEU 20 HG LEU 20 4.143 1.727 1.792 134 1HD1 LEU 20 1HD1 LEU 20 5.344 3.162 2.985 135 2HD1 LEU 20 2HD1 LEU 20 5.151 4.438 1.759 136 3HD1 LEU 20 3HD1 LEU 20 3.922 4.230 3.030 137 1HD2 LEU 20 1HD2 LEU 20 1.885 3.083 0.700 138 2HD2 LEU 20 2HD2 LEU 20 1.949 1.914 2.041 139 3HD2 LEU 20 3HD2 LEU 20 2.127 3.654 2.367 140 H PHE 21 H PHE 21 6.368 0.130 0.643 141 HA PHE 21 HA PHE 21 7.447 1.245 3.052 142 2HB PHE 21 2HB PHE 21 8.185 -1.501 2.677 143 HD1 PHE 21 1HD PHE 21 8.334 -1.196 5.096 144 HD2 PHE 21 2HD PHE 21 4.612 -0.889 3.080 145 HE1 PHE 21 1HE PHE 21 7.129 -1.398 7.289 146 HE2 PHE 21 2HE PHE 21 3.408 -1.091 5.272 147 HZ PHE 21 HZ PHE 21 4.680 -1.343 7.351 148 H LYS 22 H LYS 22 8.614 0.508 -0.147 149 HA LYS 22 HA LYS 22 11.161 -0.350 0.251 150 2HB LYS 22 2HB LYS 22 9.759 0.293 -1.901 151 2HG LYS 22 2HG LYS 22 10.810 2.283 -3.006 152 2HD LYS 22 2HD LYS 22 9.804 3.682 -0.648 153 2HE LYS 22 2HE LYS 22 7.850 4.064 -2.288 154 1HZ LYS 22 1HZ LYS 22 10.561 4.864 -2.521 155 2HZ LYS 22 2HZ LYS 22 9.771 4.960 -3.946 156 3HZ LYS 22 3HZ LYS 22 9.201 5.760 -2.642 157 H LYS 23 H LYS 23 9.728 2.736 1.140 158 HA LYS 23 HA LYS 23 12.382 3.852 1.628 159 2HB LYS 23 2HB LYS 23 10.978 5.342 0.428 160 2HG LYS 23 2HG LYS 23 8.880 4.186 2.127 161 2HD LYS 23 2HD LYS 23 9.409 6.732 2.953 162 2HE LYS 23 2HE LYS 23 8.854 7.381 0.432 163 1HZ LYS 23 1HZ LYS 23 6.174 7.330 1.624 164 2HZ LYS 23 2HZ LYS 23 6.577 7.740 0.096 165 3HZ LYS 23 3HZ LYS 23 6.700 6.187 0.584 166 H TRP 24 H TRP 24 9.467 2.568 3.208 167 HA TRP 24 HA TRP 24 10.052 3.543 5.785 168 2HB TRP 24 2HB TRP 24 8.478 1.719 6.497 169 HD1 TRP 24 HD TRP 24 8.494 4.733 4.276 170 HE1 TRP 24 1HE TRP 24 6.161 5.962 4.197 171 HE3 TRP 24 3HE TRP 24 5.861 1.001 6.510 172 HZ2 TRP 24 2HZ TRP 24 3.534 5.251 5.058 173 HZ3 TRP 24 3HZ TRP 24 3.416 1.348 6.853 174 HH2 TRP 24 HH TRP 24 2.252 3.385 6.167 175 H GLY 25 H GLY 25 11.036 2.409 7.580 176 1HA GLY 25 1HA GLY 25 12.046 0.341 8.361 177 2HA GLY 25 2HA GLY 25 12.741 0.131 6.766 178 H TRP 26 H TRP 26 12.709 2.341 9.626 179 HA TRP 26 HA TRP 26 15.563 2.691 9.309 180 2HB TRP 26 2HB TRP 26 14.386 5.291 9.748 181 HD1 TRP 26 HD TRP 26 16.296 3.319 6.946 182 HE1 TRP 26 1HE TRP 26 18.495 4.605 6.259 183 HE3 TRP 26 3HE TRP 26 15.604 7.252 10.093 184 HZ2 TRP 26 2HZ TRP 26 19.672 7.068 7.091 185 HZ3 TRP 26 3HZ TRP 26 17.325 9.055 10.093 186 HH2 TRP 26 HH TRP 26 19.306 9.007 8.660 Start of MODEL 3 1 1H LYS 1 H LYS 1 -7.577 16.251 8.426 2 HA LYS 1 HA LYS 1 -9.499 16.708 6.890 3 2HB LYS 1 2HB LYS 1 -8.106 19.401 6.802 4 2HG LYS 1 2HG LYS 1 -10.563 18.412 5.282 5 2HD LYS 1 2HD LYS 1 -10.281 20.919 5.898 6 2HE LYS 1 2HE LYS 1 -7.697 20.453 4.830 7 1HZ LYS 1 1HZ LYS 1 -8.456 20.713 2.646 8 2HZ LYS 1 2HZ LYS 1 -9.425 21.974 3.015 9 3HZ LYS 1 3HZ LYS 1 -7.802 22.156 3.042 10 H SER 2 H SER 2 -7.872 14.839 6.573 11 HA SER 2 HA SER 2 -6.893 15.037 4.008 12 2HB SER 2 2HB SER 2 -4.778 15.308 6.182 13 HG SER 2 HG SER 2 -3.238 14.718 4.724 14 H SER 3 H SER 3 -7.651 12.986 3.552 15 HA SER 3 HA SER 3 -6.387 10.835 5.005 16 2HB SER 3 2HB SER 3 -8.456 11.015 6.222 17 HG SER 3 HG SER 3 -10.085 10.654 3.919 18 H ALA 4 H ALA 4 -5.931 9.054 3.663 19 HA ALA 4 HA ALA 4 -7.343 8.470 1.321 20 1HB ALA 4 1HB ALA 4 -5.042 10.380 1.091 21 2HB ALA 4 2HB ALA 4 -5.208 9.116 -0.152 22 3HB ALA 4 3HB ALA 4 -6.534 10.270 0.126 23 H TYR 5 H TYR 5 -7.187 6.385 2.273 24 HA TYR 5 HA TYR 5 -4.457 5.317 2.445 25 2HB TYR 5 2HB TYR 5 -6.000 3.463 3.643 26 HD1 TYR 5 1HD TYR 5 -5.875 7.152 4.365 27 HD2 TYR 5 2HD TYR 5 -5.105 3.182 5.759 28 HE1 TYR 5 1HE TYR 5 -4.889 8.090 6.512 29 HE2 TYR 5 2HE TYR 5 -4.121 4.133 7.902 30 HH TYR 5 HH TYR 5 -4.135 7.630 8.495 31 H SER 6 H SER 6 -5.016 5.521 -0.137 32 HA SER 6 HA SER 6 -5.288 4.449 -2.003 33 2HB SER 6 2HB SER 6 -4.997 1.928 -1.992 34 HG SER 6 HG SER 6 -3.114 3.215 -0.219 35 H LEU 7 H LEU 7 -6.743 2.622 -3.181 36 HA LEU 7 HA LEU 7 -9.430 3.041 -2.117 37 2HB LEU 7 2HB LEU 7 -9.359 3.838 -4.271 38 HG LEU 7 HG LEU 7 -7.378 1.719 -4.817 39 1HD1 LEU 7 1HD1 LEU 7 -9.535 1.138 -6.158 40 2HD1 LEU 7 2HD1 LEU 7 -9.070 2.532 -7.161 41 3HD1 LEU 7 3HD1 LEU 7 -7.957 1.154 -6.980 42 1HD2 LEU 7 1HD2 LEU 7 -7.930 4.430 -6.056 43 2HD2 LEU 7 2HD2 LEU 7 -6.779 4.080 -4.744 44 3HD2 LEU 7 3HD2 LEU 7 -6.508 3.407 -6.369 45 H GLN 8 H GLN 8 -7.180 0.481 -3.312 46 HA GLN 8 HA GLN 8 -7.097 -1.656 -2.943 47 2HB GLN 8 2HB GLN 8 -8.835 -2.258 -0.802 48 2HG GLN 8 2HG GLN 8 -6.331 -2.805 -1.209 49 1HE2 GLN 8 1HE2 GLN 8 -5.282 -1.506 1.467 50 2HE2 GLN 8 2HE2 GLN 8 -4.386 -0.129 0.919 51 H MET 9 H MET 9 -7.980 -3.047 -4.405 52 HA MET 9 HA MET 9 -10.895 -3.053 -4.562 53 2HB MET 9 2HB MET 9 -9.630 -2.175 -6.594 54 2HG MET 9 2HG MET 9 -7.787 -4.097 -6.120 55 1HE MET 9 1HE MET 9 -7.199 -6.476 -8.806 56 2HE MET 9 2HE MET 9 -8.583 -6.009 -9.822 57 3HE MET 9 3HE MET 9 -7.505 -4.759 -9.157 58 H GLY 10 H GLY 10 -7.898 -4.935 -4.297 59 1HA GLY 10 1HA GLY 10 -9.434 -7.448 -4.385 60 2HA GLY 10 2HA GLY 10 -7.702 -7.277 -4.587 61 H ALA 11 H ALA 11 -6.375 -7.564 -2.823 62 HA ALA 11 HA ALA 11 -7.069 -6.816 -0.221 63 1HB ALA 11 1HB ALA 11 -6.957 -9.691 0.038 64 2HB ALA 11 2HB ALA 11 -8.225 -8.566 0.582 65 3HB ALA 11 3HB ALA 11 -8.285 -9.247 -1.061 66 H THR 12 H THR 12 -5.466 -9.776 -1.595 67 HA THR 12 HA THR 12 -3.234 -9.807 -0.108 68 HB THR 12 HB THR 12 -2.192 -10.921 -2.098 69 HG1 THR 12 1HG THR 12 -2.859 -9.732 -3.878 70 1HG2 THR 12 1HG2 THR 12 -4.675 -11.664 -0.920 71 2HG2 THR 12 2HG2 THR 12 -4.923 -11.806 -2.677 72 3HG2 THR 12 3HG2 THR 12 -3.606 -12.707 -1.887 73 H ALA 13 H ALA 13 -3.654 -7.782 -3.080 74 HA ALA 13 HA ALA 13 -1.230 -6.677 -3.305 75 1HB ALA 13 1HB ALA 13 -2.730 -5.883 -4.860 76 2HB ALA 13 2HB ALA 13 -4.030 -5.677 -3.662 77 3HB ALA 13 3HB ALA 13 -2.710 -4.486 -3.758 78 H ILE 14 H ILE 14 -3.725 -5.839 -0.837 79 HA ILE 14 HA ILE 14 -2.642 -3.638 0.285 80 HB ILE 14 HB ILE 14 -3.922 -6.014 1.639 81 2HG1 ILE 14 2HG1 ILE 14 -5.327 -5.045 -0.082 82 1HG2 ILE 14 1HG2 ILE 14 -2.957 -4.928 3.437 83 2HG2 ILE 14 2HG2 ILE 14 -3.115 -3.320 2.692 84 3HG2 ILE 14 3HG2 ILE 14 -4.553 -4.146 3.337 85 1HD1 ILE 14 1HD1 ILE 14 -6.031 -5.322 2.596 86 2HD1 ILE 14 2HD1 ILE 14 -6.583 -3.674 2.214 87 3HD1 ILE 14 3HD1 ILE 14 -7.171 -5.053 1.255 88 H LYS 15 H LYS 15 -1.650 -7.068 0.878 89 HA LYS 15 HA LYS 15 0.278 -6.479 2.795 90 2HB LYS 15 2HB LYS 15 -0.801 -8.734 1.951 91 2HG LYS 15 2HG LYS 15 0.423 -8.468 -0.315 92 2HD LYS 15 2HD LYS 15 2.696 -8.587 1.578 93 2HE LYS 15 2HE LYS 15 4.086 -9.944 -0.084 94 1HZ LYS 15 1HZ LYS 15 2.516 -10.793 1.962 95 2HZ LYS 15 2HZ LYS 15 2.224 -11.878 0.775 96 3HZ LYS 15 3HZ LYS 15 3.753 -11.619 1.288 97 H GLN 16 H GLN 16 0.390 -6.537 -0.799 98 HA GLN 16 HA GLN 16 3.100 -6.353 -1.090 99 2HB GLN 16 2HB GLN 16 2.603 -5.373 -3.314 100 2HG GLN 16 2HG GLN 16 0.461 -7.404 -2.534 101 1HE2 GLN 16 1HE2 GLN 16 2.470 -8.652 -4.730 102 2HE2 GLN 16 2HE2 GLN 16 1.703 -8.212 -6.219 103 H VAL 17 H VAL 17 0.768 -3.965 0.042 104 HA VAL 17 HA VAL 17 2.026 -1.606 -0.564 105 HB VAL 17 HB VAL 17 0.559 -2.378 1.967 106 1HG1 VAL 17 1HG1 VAL 17 1.255 -0.318 2.599 107 2HG1 VAL 17 2HG1 VAL 17 1.609 0.194 0.931 108 3HG1 VAL 17 3HG1 VAL 17 -0.064 0.229 1.537 109 1HG2 VAL 17 1HG2 VAL 17 -0.835 -0.887 -0.181 110 2HG2 VAL 17 2HG2 VAL 17 -0.425 -2.576 -0.561 111 3HG2 VAL 17 3HG2 VAL 17 -1.413 -2.201 0.871 112 H LYS 18 H LYS 18 2.683 -3.933 2.114 113 HA LYS 18 HA LYS 18 4.600 -2.338 3.388 114 2HB LYS 18 2HB LYS 18 3.509 -5.023 3.608 115 2HG LYS 18 2HG LYS 18 5.679 -5.699 4.969 116 2HD LYS 18 2HD LYS 18 6.662 -6.476 2.552 117 2HE LYS 18 2HE LYS 18 4.074 -7.496 3.820 118 1HZ LYS 18 1HZ LYS 18 5.998 -9.085 2.316 119 2HZ LYS 18 2HZ LYS 18 4.424 -9.395 2.623 120 3HZ LYS 18 3HZ LYS 18 4.834 -8.265 1.517 121 H LYS 19 H LYS 19 4.717 -4.566 0.602 122 HA LYS 19 HA LYS 19 7.517 -4.783 0.514 123 2HB LYS 19 2HB LYS 19 5.209 -5.526 -1.145 124 2HG LYS 19 2HG LYS 19 6.925 -5.995 -3.082 125 2HD LYS 19 2HD LYS 19 6.581 -3.313 -3.666 126 2HE LYS 19 2HE LYS 19 4.248 -4.075 -4.497 127 1HZ LYS 19 1HZ LYS 19 5.868 -4.324 -6.053 128 2HZ LYS 19 2HZ LYS 19 6.781 -5.339 -5.157 129 3HZ LYS 19 3HZ LYS 19 5.422 -5.885 -5.878 130 H LEU 20 H LEU 20 5.269 -2.223 -0.292 131 HA LEU 20 HA LEU 20 7.221 -0.906 -1.992 132 2HB LEU 20 2HB LEU 20 4.499 -1.043 -2.049 133 HG LEU 20 HG LEU 20 4.431 0.650 -0.120 134 1HD1 LEU 20 1HD1 LEU 20 6.132 2.072 -1.958 135 2HD1 LEU 20 2HD1 LEU 20 4.650 3.008 -1.642 136 3HD1 LEU 20 3HD1 LEU 20 5.674 2.478 -0.286 137 1HD2 LEU 20 1HD2 LEU 20 2.946 2.074 -2.119 138 2HD2 LEU 20 2HD2 LEU 20 2.860 0.328 -2.451 139 3HD2 LEU 20 3HD2 LEU 20 2.365 0.957 -0.861 140 H PHE 21 H PHE 21 6.392 -1.193 1.335 141 HA PHE 21 HA PHE 21 7.129 1.481 2.050 142 2HB PHE 21 2HB PHE 21 7.299 -0.335 4.263 143 HD1 PHE 21 1HD PHE 21 4.014 0.254 2.716 144 HD2 PHE 21 2HD PHE 21 6.896 1.689 5.480 145 HE1 PHE 21 1HE PHE 21 2.324 1.861 3.643 146 HE2 PHE 21 2HE PHE 21 5.205 3.296 6.408 147 HZ PHE 21 HZ PHE 21 2.939 3.364 5.477 148 H LYS 22 H LYS 22 8.790 -1.495 1.323 149 HA LYS 22 HA LYS 22 10.950 -1.374 3.030 150 2HB LYS 22 2HB LYS 22 10.146 -3.028 1.048 151 2HG LYS 22 2HG LYS 22 12.269 -2.998 -0.497 152 2HD LYS 22 2HD LYS 22 9.786 -1.309 -0.680 153 2HE LYS 22 2HE LYS 22 12.128 -0.319 -1.819 154 1HZ LYS 22 1HZ LYS 22 12.415 -1.227 -3.792 155 2HZ LYS 22 2HZ LYS 22 11.409 -2.440 -3.361 156 3HZ LYS 22 3HZ LYS 22 10.829 -1.149 -4.175 157 H LYS 23 H LYS 23 9.966 0.822 0.521 158 HA LYS 23 HA LYS 23 12.661 1.921 0.326 159 2HB LYS 23 2HB LYS 23 11.611 1.588 -1.790 160 2HG LYS 23 2HG LYS 23 9.219 2.616 -0.353 161 2HD LYS 23 2HD LYS 23 8.204 3.647 -2.323 162 2HE LYS 23 2HE LYS 23 10.375 4.795 -0.895 163 1HZ LYS 23 1HZ LYS 23 10.710 4.914 -3.753 164 2HZ LYS 23 2HZ LYS 23 10.877 6.330 -2.957 165 3HZ LYS 23 3HZ LYS 23 11.823 5.058 -2.566 166 H TRP 24 H TRP 24 9.387 2.555 1.596 167 HA TRP 24 HA TRP 24 9.818 5.270 2.199 168 2HB TRP 24 2HB TRP 24 7.881 4.908 3.765 169 HD1 TRP 24 HD TRP 24 8.706 4.946 0.195 170 HE1 TRP 24 1HE TRP 24 6.635 5.365 -1.385 171 HE3 TRP 24 3HE TRP 24 5.162 4.026 3.723 172 HZ2 TRP 24 2HZ TRP 24 3.810 5.266 -0.993 173 HZ3 TRP 24 3HZ TRP 24 2.770 4.209 3.041 174 HH2 TRP 24 HH TRP 24 2.073 4.805 0.776 175 H GLY 25 H GLY 25 10.258 6.220 4.327 176 1HA GLY 25 1HA GLY 25 10.785 5.162 6.694 177 2HA GLY 25 2HA GLY 25 12.205 4.634 5.814 178 H TRP 26 H TRP 26 13.233 6.072 7.573 179 HA TRP 26 HA TRP 26 13.498 8.763 6.447 180 2HB TRP 26 2HB TRP 26 13.129 8.119 9.378 181 HD1 TRP 26 HD TRP 26 15.775 9.729 8.745 182 HE1 TRP 26 1HE TRP 26 16.115 12.267 9.385 183 HE3 TRP 26 3HE TRP 26 10.826 10.860 9.049 184 HZ2 TRP 26 2HZ TRP 26 14.317 14.414 9.934 185 HZ3 TRP 26 3HZ TRP 26 10.205 13.201 9.643 186 HH2 TRP 26 HH TRP 26 11.858 14.948 10.078 Start of MODEL 4 1 1H LYS 1 H LYS 1 -6.875 9.005 11.777 2 HA LYS 1 HA LYS 1 -8.982 8.550 11.147 3 2HB LYS 1 2HB LYS 1 -8.970 8.570 8.298 4 2HG LYS 1 2HG LYS 1 -10.609 9.402 10.322 5 2HD LYS 1 2HD LYS 1 -10.028 12.044 9.056 6 2HE LYS 1 2HE LYS 1 -11.819 11.440 10.854 7 1HZ LYS 1 1HZ LYS 1 -10.044 12.024 12.933 8 2HZ LYS 1 2HZ LYS 1 -11.063 10.758 12.788 9 3HZ LYS 1 3HZ LYS 1 -9.550 10.661 12.181 10 H SER 2 H SER 2 -6.869 7.370 8.432 11 HA SER 2 HA SER 2 -6.286 5.365 7.829 12 2HB SER 2 2HB SER 2 -7.083 3.574 9.894 13 HG SER 2 HG SER 2 -4.576 4.595 10.322 14 H SER 3 H SER 3 -7.454 4.389 6.218 15 HA SER 3 HA SER 3 -9.630 2.774 6.752 16 2HB SER 3 2HB SER 3 -11.163 4.453 5.204 17 HG SER 3 HG SER 3 -11.029 4.637 8.090 18 H ALA 4 H ALA 4 -10.870 2.361 4.448 19 HA ALA 4 HA ALA 4 -8.984 1.368 2.721 20 1HB ALA 4 1HB ALA 4 -11.302 0.628 2.750 21 2HB ALA 4 2HB ALA 4 -11.860 2.236 2.229 22 3HB ALA 4 3HB ALA 4 -10.907 1.222 1.119 23 H TYR 5 H TYR 5 -8.882 2.056 0.263 24 HA TYR 5 HA TYR 5 -8.122 4.882 0.288 25 2HB TYR 5 2HB TYR 5 -7.075 3.904 -1.983 26 HD1 TYR 5 1HD TYR 5 -6.335 1.507 0.721 27 HD2 TYR 5 2HD TYR 5 -5.241 5.223 -1.095 28 HE1 TYR 5 1HE TYR 5 -4.150 1.508 2.022 29 HE2 TYR 5 2HE TYR 5 -3.060 5.211 0.212 30 HH TYR 5 HH TYR 5 -2.121 2.422 2.128 31 H SER 6 H SER 6 -10.690 2.852 -0.661 32 HA SER 6 HA SER 6 -12.229 4.707 -1.733 33 2HB SER 6 2HB SER 6 -11.838 3.870 -4.327 34 HG SER 6 HG SER 6 -10.985 6.139 -2.828 35 H LEU 7 H LEU 7 -10.959 1.408 -1.887 36 HA LEU 7 HA LEU 7 -13.575 0.341 -1.583 37 2HB LEU 7 2HB LEU 7 -12.406 0.484 -4.259 38 HG LEU 7 HG LEU 7 -11.948 -1.925 -3.779 39 1HD1 LEU 7 1HD1 LEU 7 -14.910 -2.403 -3.659 40 2HD1 LEU 7 2HD1 LEU 7 -13.565 -3.452 -3.153 41 3HD1 LEU 7 3HD1 LEU 7 -14.000 -2.029 -2.176 42 1HD2 LEU 7 1HD2 LEU 7 -14.225 -1.893 -5.710 43 2HD2 LEU 7 2HD2 LEU 7 -12.830 -0.834 -6.023 44 3HD2 LEU 7 3HD2 LEU 7 -12.595 -2.590 -5.865 45 H GLN 8 H GLN 8 -10.314 -0.629 -2.876 46 HA GLN 8 HA GLN 8 -8.750 -1.829 -1.880 47 2HB GLN 8 2HB GLN 8 -10.223 -1.218 0.359 48 2HG GLN 8 2HG GLN 8 -9.965 -4.256 0.336 49 1HE2 GLN 8 1HE2 GLN 8 -12.273 -4.609 1.817 50 2HE2 GLN 8 2HE2 GLN 8 -12.064 -3.977 3.417 51 H MET 9 H MET 9 -8.114 -3.931 -2.428 52 HA MET 9 HA MET 9 -10.334 -5.726 -3.045 53 2HB MET 9 2HB MET 9 -7.816 -4.958 -4.538 54 2HG MET 9 2HG MET 9 -8.840 -7.743 -4.232 55 1HE MET 9 1HE MET 9 -11.096 -7.056 -6.357 56 2HE MET 9 2HE MET 9 -10.672 -8.546 -7.235 57 3HE MET 9 3HE MET 9 -10.498 -8.474 -5.464 58 H GLY 10 H GLY 10 -6.829 -5.508 -2.146 59 1HA GLY 10 1HA GLY 10 -6.195 -6.753 -0.147 60 2HA GLY 10 2HA GLY 10 -7.147 -8.096 -0.746 61 H ALA 11 H ALA 11 -4.760 -5.854 -2.333 62 HA ALA 11 HA ALA 11 -2.735 -7.780 -2.519 63 1HB ALA 11 1HB ALA 11 -4.840 -8.266 -4.308 64 2HB ALA 11 2HB ALA 11 -3.609 -7.430 -5.285 65 3HB ALA 11 3HB ALA 11 -3.187 -8.920 -4.409 66 H THR 12 H THR 12 -4.344 -5.109 -4.388 67 HA THR 12 HA THR 12 -1.932 -3.933 -5.221 68 HB THR 12 HB THR 12 -4.705 -2.695 -4.809 69 HG1 THR 12 1HG THR 12 -5.057 -3.646 -6.885 70 1HG2 THR 12 1HG2 THR 12 -2.447 -1.362 -5.590 71 2HG2 THR 12 2HG2 THR 12 -2.921 -2.083 -7.147 72 3HG2 THR 12 3HG2 THR 12 -4.051 -1.015 -6.279 73 H ALA 13 H ALA 13 -4.073 -3.276 -2.385 74 HA ALA 13 HA ALA 13 -2.946 -1.062 -1.376 75 1HB ALA 13 1HB ALA 13 -4.626 -1.797 -0.019 76 2HB ALA 13 2HB ALA 13 -4.207 -3.511 -0.255 77 3HB ALA 13 3HB ALA 13 -3.284 -2.520 0.900 78 H ILE 14 H ILE 14 -1.667 -4.435 -1.012 79 HA ILE 14 HA ILE 14 0.422 -4.017 0.626 80 HB ILE 14 HB ILE 14 0.259 -5.717 -1.859 81 2HG1 ILE 14 2HG1 ILE 14 -1.308 -5.939 0.267 82 1HG2 ILE 14 1HG2 ILE 14 2.417 -6.184 -1.646 83 2HG2 ILE 14 2HG2 ILE 14 2.546 -5.154 -0.201 84 3HG2 ILE 14 3HG2 ILE 14 2.072 -6.861 -0.036 85 1HD1 ILE 14 1HD1 ILE 14 -0.575 -7.593 -1.824 86 2HD1 ILE 14 2HD1 ILE 14 -0.130 -8.576 -0.409 87 3HD1 ILE 14 3HD1 ILE 14 -1.802 -7.995 -0.599 88 H LYS 15 H LYS 15 0.367 -3.367 -2.938 89 HA LYS 15 HA LYS 15 2.924 -2.607 -3.333 90 2HB LYS 15 2HB LYS 15 0.410 -1.332 -4.451 91 2HG LYS 15 2HG LYS 15 2.074 -0.988 -6.438 92 2HD LYS 15 2HD LYS 15 2.963 0.852 -4.284 93 2HE LYS 15 2HE LYS 15 2.460 0.953 -7.055 94 1HZ LYS 15 1HZ LYS 15 0.750 2.991 -6.015 95 2HZ LYS 15 2HZ LYS 15 0.592 2.088 -7.367 96 3HZ LYS 15 3HZ LYS 15 0.114 1.489 -5.925 97 H GLN 16 H GLN 16 0.257 -0.510 -2.046 98 HA GLN 16 HA GLN 16 1.732 1.764 -1.782 99 2HB GLN 16 2HB GLN 16 0.017 1.837 0.412 100 2HG GLN 16 2HG GLN 16 0.243 3.114 -2.015 101 1HE2 GLN 16 1HE2 GLN 16 -3.086 2.815 -1.365 102 2HE2 GLN 16 2HE2 GLN 16 -3.593 2.025 -2.822 103 H VAL 17 H VAL 17 1.432 -1.049 0.451 104 HA VAL 17 HA VAL 17 2.725 0.002 2.640 105 HB VAL 17 HB VAL 17 2.803 -2.815 1.540 106 1HG1 VAL 17 1HG1 VAL 17 3.419 -3.576 3.686 107 2HG1 VAL 17 2HG1 VAL 17 4.480 -2.181 3.374 108 3HG1 VAL 17 3HG1 VAL 17 3.066 -2.003 4.440 109 1HG2 VAL 17 1HG2 VAL 17 0.956 -2.043 3.742 110 2HG2 VAL 17 2HG2 VAL 17 0.550 -1.460 2.111 111 3HG2 VAL 17 3HG2 VAL 17 0.737 -3.204 2.411 112 H LYS 18 H LYS 18 4.035 -1.303 -0.433 113 HA LYS 18 HA LYS 18 6.706 -1.421 0.397 114 2HB LYS 18 2HB LYS 18 5.173 -1.720 -2.063 115 2HG LYS 18 2HG LYS 18 7.456 -1.377 -3.376 116 2HD LYS 18 2HD LYS 18 6.710 1.238 -3.476 117 2HE LYS 18 2HE LYS 18 4.812 0.444 -5.031 118 1HZ LYS 18 1HZ LYS 18 6.913 0.735 -5.970 119 2HZ LYS 18 2HZ LYS 18 7.544 -0.593 -5.257 120 3HZ LYS 18 3HZ LYS 18 6.451 -0.753 -6.460 121 H LYS 19 H LYS 19 4.632 1.214 -0.852 122 HA LYS 19 HA LYS 19 6.724 3.023 -1.337 123 2HB LYS 19 2HB LYS 19 3.802 3.016 -1.323 124 2HG LYS 19 2HG LYS 19 3.866 5.634 -1.225 125 2HD LYS 19 2HD LYS 19 3.989 5.266 1.517 126 2HE LYS 19 2HE LYS 19 1.711 4.455 -0.353 127 1HZ LYS 19 1HZ LYS 19 1.936 4.825 2.499 128 2HZ LYS 19 2HZ LYS 19 0.608 5.459 1.790 129 3HZ LYS 19 3HZ LYS 19 0.926 3.864 1.650 130 H LEU 20 H LEU 20 5.228 1.808 1.581 131 HA LEU 20 HA LEU 20 6.179 4.072 3.132 132 2HB LEU 20 2HB LEU 20 3.966 2.506 3.328 133 HG LEU 20 HG LEU 20 5.433 0.635 4.301 134 1HD1 LEU 20 1HD1 LEU 20 6.117 2.807 6.097 135 2HD1 LEU 20 2HD1 LEU 20 5.458 1.411 6.982 136 3HD1 LEU 20 3HD1 LEU 20 6.860 1.201 5.907 137 1HD2 LEU 20 1HD2 LEU 20 2.839 1.625 5.018 138 2HD2 LEU 20 2HD2 LEU 20 3.428 -0.053 4.948 139 3HD2 LEU 20 3HD2 LEU 20 3.605 0.891 6.446 140 H PHE 21 H PHE 21 7.271 1.024 1.942 141 HA PHE 21 HA PHE 21 8.959 0.390 4.145 142 2HB PHE 21 2HB PHE 21 9.877 -0.719 1.641 143 HD1 PHE 21 1HD PHE 21 10.899 -2.356 3.030 144 HD2 PHE 21 2HD PHE 21 6.693 -1.806 3.159 145 HE1 PHE 21 1HE PHE 21 10.661 -4.477 4.350 146 HE2 PHE 21 2HE PHE 21 6.456 -3.926 4.479 147 HZ PHE 21 HZ PHE 21 8.442 -5.237 5.059 148 H LYS 22 H LYS 22 9.093 2.665 1.521 149 HA LYS 22 HA LYS 22 11.701 2.738 0.792 150 2HB LYS 22 2HB LYS 22 9.594 4.240 0.223 151 2HG LYS 22 2HG LYS 22 10.389 6.629 1.085 152 2HD LYS 22 2HD LYS 22 8.686 4.586 2.546 153 2HE LYS 22 2HE LYS 22 9.778 6.319 4.157 154 1HZ LYS 22 1HZ LYS 22 9.445 8.167 2.585 155 2HZ LYS 22 2HZ LYS 22 7.832 8.063 2.819 156 3HZ LYS 22 3HZ LYS 22 8.814 8.456 4.064 157 H LYS 23 H LYS 23 10.308 3.409 3.955 158 HA LYS 23 HA LYS 23 12.815 4.602 4.845 159 2HB LYS 23 2HB LYS 23 11.025 5.872 5.619 160 2HG LYS 23 2HG LYS 23 9.635 3.227 5.764 161 2HD LYS 23 2HD LYS 23 9.743 4.775 8.114 162 2HE LYS 23 2HE LYS 23 7.132 5.330 8.115 163 1HZ LYS 23 1HZ LYS 23 8.163 7.486 6.802 164 2HZ LYS 23 2HZ LYS 23 8.116 7.261 8.418 165 3HZ LYS 23 3HZ LYS 23 9.445 6.830 7.572 166 H TRP 24 H TRP 24 10.737 1.704 5.199 167 HA TRP 24 HA TRP 24 12.171 0.559 7.320 168 2HB TRP 24 2HB TRP 24 11.074 -1.541 6.584 169 HD1 TRP 24 HD TRP 24 10.057 1.919 7.543 170 HE1 TRP 24 1HE TRP 24 7.706 2.012 8.739 171 HE3 TRP 24 3HE TRP 24 8.670 -2.822 6.338 172 HZ2 TRP 24 2HZ TRP 24 5.578 0.133 9.039 173 HZ3 TRP 24 3HZ TRP 24 6.440 -3.616 7.121 174 HH2 TRP 24 HH TRP 24 4.915 -2.222 8.427 175 H GLY 25 H GLY 25 12.177 -0.249 3.765 176 1HA GLY 25 1HA GLY 25 13.842 -0.914 2.405 177 2HA GLY 25 2HA GLY 25 14.993 -0.255 3.549 178 H TRP 26 H TRP 26 13.831 -3.103 2.107 179 HA TRP 26 HA TRP 26 14.609 -4.787 4.360 180 2HB TRP 26 2HB TRP 26 13.680 -5.953 1.795 181 HD1 TRP 26 HD TRP 26 13.601 -6.008 5.665 182 HE1 TRP 26 1HE TRP 26 12.956 -8.402 6.565 183 HE3 TRP 26 3HE TRP 26 12.503 -7.998 1.116 184 HZ2 TRP 26 2HZ TRP 26 12.077 -10.807 5.302 185 HZ3 TRP 26 3HZ TRP 26 11.759 -10.376 1.038 186 HH2 TRP 26 HH TRP 26 11.540 -11.769 3.034 Start of MODEL 5 1 1H LYS 1 H LYS 1 -10.569 15.956 5.855 2 HA LYS 1 HA LYS 1 -12.782 15.790 6.153 3 2HB LYS 1 2HB LYS 1 -13.255 17.144 4.203 4 2HG LYS 1 2HG LYS 1 -12.253 14.750 2.786 5 2HD LYS 1 2HD LYS 1 -14.831 16.112 1.877 6 2HE LYS 1 2HE LYS 1 -14.106 14.036 0.092 7 1HZ LYS 1 1HZ LYS 1 -14.641 15.653 -1.292 8 2HZ LYS 1 2HZ LYS 1 -14.877 16.629 -0.004 9 3HZ LYS 1 3HZ LYS 1 -13.442 16.640 -0.784 10 H SER 2 H SER 2 -11.497 13.778 6.966 11 HA SER 2 HA SER 2 -11.202 11.605 7.083 12 2HB SER 2 2HB SER 2 -13.369 11.697 8.090 13 HG SER 2 HG SER 2 -14.498 12.921 6.473 14 H SER 3 H SER 3 -9.789 11.417 5.176 15 HA SER 3 HA SER 3 -11.187 10.207 2.919 16 2HB SER 3 2HB SER 3 -8.822 10.845 1.807 17 HG SER 3 HG SER 3 -9.864 13.117 1.518 18 H ALA 4 H ALA 4 -11.009 7.995 3.083 19 HA ALA 4 HA ALA 4 -8.380 6.854 3.235 20 1HB ALA 4 1HB ALA 4 -10.269 5.800 5.310 21 2HB ALA 4 2HB ALA 4 -8.489 5.848 5.304 22 3HB ALA 4 3HB ALA 4 -9.418 7.324 5.662 23 H TYR 5 H TYR 5 -11.855 5.937 3.831 24 HA TYR 5 HA TYR 5 -13.005 4.188 3.021 25 2HB TYR 5 2HB TYR 5 -13.353 4.530 0.568 26 HD1 TYR 5 1HD TYR 5 -12.208 7.477 -0.299 27 HD2 TYR 5 2HD TYR 5 -14.493 5.875 2.944 28 HE1 TYR 5 1HE TYR 5 -13.288 9.749 0.073 29 HE2 TYR 5 2HE TYR 5 -15.565 8.152 3.305 30 HH TYR 5 HH TYR 5 -14.625 10.700 2.687 31 H SER 6 H SER 6 -11.606 2.478 3.897 32 HA SER 6 HA SER 6 -10.477 0.634 3.740 33 2HB SER 6 2HB SER 6 -11.335 0.893 0.840 34 HG SER 6 HG SER 6 -10.170 -0.818 0.295 35 H LEU 7 H LEU 7 -8.376 -0.402 2.884 36 HA LEU 7 HA LEU 7 -6.600 1.725 1.907 37 2HB LEU 7 2HB LEU 7 -4.834 0.748 3.231 38 HG LEU 7 HG LEU 7 -7.308 1.128 4.941 39 1HD1 LEU 7 1HD1 LEU 7 -5.479 -0.127 6.070 40 2HD1 LEU 7 2HD1 LEU 7 -4.402 1.261 5.784 41 3HD1 LEU 7 3HD1 LEU 7 -5.840 1.449 6.816 42 1HD2 LEU 7 1HD2 LEU 7 -5.179 3.068 4.010 43 2HD2 LEU 7 2HD2 LEU 7 -6.925 3.109 3.663 44 3HD2 LEU 7 3HD2 LEU 7 -6.339 3.408 5.317 45 H GLN 8 H GLN 8 -6.807 -1.896 2.207 46 HA GLN 8 HA GLN 8 -6.348 -2.046 -0.627 47 2HB GLN 8 2HB GLN 8 -4.056 -2.026 0.293 48 2HG GLN 8 2HG GLN 8 -3.416 -4.147 1.651 49 1HE2 GLN 8 1HE2 GLN 8 -5.587 -3.686 3.921 50 2HE2 GLN 8 2HE2 GLN 8 -5.024 -2.254 4.716 51 H MET 9 H MET 9 -6.719 -4.308 -1.461 52 HA MET 9 HA MET 9 -7.755 -6.217 0.345 53 2HB MET 9 2HB MET 9 -10.058 -6.139 -1.036 54 2HG MET 9 2HG MET 9 -9.962 -3.839 0.862 55 1HE MET 9 1HE MET 9 -11.094 -6.635 2.985 56 2HE MET 9 2HE MET 9 -11.245 -4.877 3.216 57 3HE MET 9 3HE MET 9 -12.705 -5.883 3.067 58 H GLY 10 H GLY 10 -7.855 -5.026 -3.084 59 1HA GLY 10 1HA GLY 10 -8.214 -7.340 -4.456 60 2HA GLY 10 2HA GLY 10 -7.181 -6.030 -4.989 61 H ALA 11 H ALA 11 -4.904 -6.189 -4.816 62 HA ALA 11 HA ALA 11 -3.609 -8.109 -3.245 63 1HB ALA 11 1HB ALA 11 -4.193 -8.866 -6.126 64 2HB ALA 11 2HB ALA 11 -2.825 -9.551 -5.216 65 3HB ALA 11 3HB ALA 11 -4.492 -9.818 -4.652 66 H THR 12 H THR 12 -3.135 -7.060 -6.691 67 HA THR 12 HA THR 12 -0.523 -6.426 -6.588 68 HB THR 12 HB THR 12 -1.057 -4.870 -8.459 69 HG1 THR 12 1HG THR 12 -3.720 -5.292 -7.296 70 1HG2 THR 12 1HG2 THR 12 -1.640 -7.519 -8.542 71 2HG2 THR 12 2HG2 THR 12 -3.293 -6.877 -8.693 72 3HG2 THR 12 3HG2 THR 12 -2.052 -6.430 -9.888 73 H ALA 13 H ALA 13 -3.211 -4.243 -5.543 74 HA ALA 13 HA ALA 13 -1.885 -1.985 -4.999 75 1HB ALA 13 1HB ALA 13 -4.165 -3.452 -3.777 76 2HB ALA 13 2HB ALA 13 -3.456 -2.159 -2.782 77 3HB ALA 13 3HB ALA 13 -4.078 -1.791 -4.407 78 H ILE 14 H ILE 14 -1.918 -4.957 -2.930 79 HA ILE 14 HA ILE 14 -0.524 -4.056 -0.788 80 HB ILE 14 HB ILE 14 -0.352 -6.721 -2.194 81 2HG1 ILE 14 2HG1 ILE 14 -2.587 -5.704 -1.252 82 1HG2 ILE 14 1HG2 ILE 14 0.458 -7.623 -0.062 83 2HG2 ILE 14 2HG2 ILE 14 1.590 -6.434 -0.751 84 3HG2 ILE 14 3HG2 ILE 14 0.533 -5.975 0.607 85 1HD1 ILE 14 1HD1 ILE 14 -1.722 -8.243 -1.825 86 2HD1 ILE 14 2HD1 ILE 14 -2.123 -8.411 -0.100 87 3HD1 ILE 14 3HD1 ILE 14 -3.364 -7.862 -1.252 88 H LYS 15 H LYS 15 0.894 -5.372 -3.862 89 HA LYS 15 HA LYS 15 3.522 -5.153 -3.271 90 2HB LYS 15 2HB LYS 15 2.052 -4.628 -5.862 91 2HG LYS 15 2HG LYS 15 4.363 -5.195 -6.859 92 2HD LYS 15 2HD LYS 15 4.691 -2.580 -5.450 93 2HE LYS 15 2HE LYS 15 5.845 -3.470 -7.634 94 1HZ LYS 15 1HZ LYS 15 4.152 -2.383 -9.397 95 2HZ LYS 15 2HZ LYS 15 4.344 -3.987 -9.160 96 3HZ LYS 15 3HZ LYS 15 3.123 -3.193 -8.422 97 H GLN 16 H GLN 16 1.279 -2.513 -4.271 98 HA GLN 16 HA GLN 16 3.170 -0.552 -4.549 99 2HB GLN 16 2HB GLN 16 1.311 1.031 -4.243 100 2HG GLN 16 2HG GLN 16 0.147 -1.488 -5.497 101 1HE2 GLN 16 1HE2 GLN 16 -1.338 -1.061 -7.092 102 2HE2 GLN 16 2HE2 GLN 16 -2.099 0.480 -7.312 103 H VAL 17 H VAL 17 1.470 -1.759 -1.611 104 HA VAL 17 HA VAL 17 2.263 0.192 0.165 105 HB VAL 17 HB VAL 17 0.677 -1.844 0.372 106 1HG1 VAL 17 1HG1 VAL 17 2.624 -3.291 1.981 107 2HG1 VAL 17 2HG1 VAL 17 1.511 -3.888 0.727 108 3HG1 VAL 17 3HG1 VAL 17 3.101 -3.233 0.267 109 1HG2 VAL 17 1HG2 VAL 17 0.835 -1.761 2.831 110 2HG2 VAL 17 2HG2 VAL 17 2.424 -0.970 2.699 111 3HG2 VAL 17 3HG2 VAL 17 0.964 -0.140 2.105 112 H LYS 18 H LYS 18 4.062 -2.543 -1.253 113 HA LYS 18 HA LYS 18 6.207 -2.476 0.558 114 2HB LYS 18 2HB LYS 18 5.488 -3.828 -1.920 115 2HG LYS 18 2HG LYS 18 8.072 -4.374 -2.221 116 2HD LYS 18 2HD LYS 18 8.109 -2.104 -3.723 117 2HE LYS 18 2HE LYS 18 6.473 -3.475 -5.310 118 1HZ LYS 18 1HZ LYS 18 8.801 -3.485 -5.616 119 2HZ LYS 18 2HZ LYS 18 9.060 -4.461 -4.334 120 3HZ LYS 18 3HZ LYS 18 8.314 -5.043 -5.665 121 H LYS 19 H LYS 19 5.415 -0.657 -2.422 122 HA LYS 19 HA LYS 19 7.971 0.507 -2.691 123 2HB LYS 19 2HB LYS 19 5.364 0.644 -3.987 124 2HG LYS 19 2HG LYS 19 5.983 2.960 -4.992 125 2HD LYS 19 2HD LYS 19 5.104 4.003 -2.580 126 2HE LYS 19 2HE LYS 19 3.509 2.491 -4.704 127 1HZ LYS 19 1HZ LYS 19 2.731 3.928 -2.352 128 2HZ LYS 19 2HZ LYS 19 1.955 4.395 -3.712 129 3HZ LYS 19 3HZ LYS 19 1.894 2.835 -3.230 130 H LEU 20 H LEU 20 5.378 0.948 -0.440 131 HA LEU 20 HA LEU 20 6.148 3.685 0.139 132 2HB LEU 20 2HB LEU 20 3.762 2.353 0.204 133 HG LEU 20 HG LEU 20 4.470 1.297 2.425 134 1HD1 LEU 20 1HD1 LEU 20 5.287 2.579 4.037 135 2HD1 LEU 20 2HD1 LEU 20 5.062 4.025 3.024 136 3HD1 LEU 20 3HD1 LEU 20 3.753 3.481 4.100 137 1HD2 LEU 20 1HD2 LEU 20 2.078 2.872 3.079 138 2HD2 LEU 20 2HD2 LEU 20 2.041 2.120 1.465 139 3HD2 LEU 20 3HD2 LEU 20 2.294 1.112 2.911 140 H PHE 21 H PHE 21 7.006 0.451 0.999 141 HA PHE 21 HA PHE 21 7.692 0.933 3.698 142 2HB PHE 21 2HB PHE 21 9.294 -1.084 2.253 143 HD1 PHE 21 1HD PHE 21 9.972 -2.099 4.242 144 HD2 PHE 21 2HD PHE 21 5.840 -1.384 3.598 145 HE1 PHE 21 1HE PHE 21 9.422 -3.431 6.297 146 HE2 PHE 21 2HE PHE 21 5.288 -2.715 5.653 147 HZ PHE 21 HZ PHE 21 7.086 -3.723 6.977 148 H LYS 22 H LYS 22 9.121 1.854 0.667 149 HA LYS 22 HA LYS 22 11.794 1.718 1.085 150 2HB LYS 22 2HB LYS 22 10.316 2.710 -0.857 151 2HG LYS 22 2HG LYS 22 10.931 5.284 -0.825 152 2HD LYS 22 2HD LYS 22 8.614 3.951 0.620 153 2HE LYS 22 2HE LYS 22 9.161 6.323 1.536 154 1HZ LYS 22 1HZ LYS 22 8.005 7.880 -0.201 155 2HZ LYS 22 2HZ LYS 22 9.620 7.641 -0.209 156 3HZ LYS 22 3HZ LYS 22 8.670 6.834 -1.265 157 H LYS 23 H LYS 23 9.413 3.633 2.836 158 HA LYS 23 HA LYS 23 11.558 5.155 4.107 159 2HB LYS 23 2HB LYS 23 9.846 6.590 3.371 160 2HG LYS 23 2HG LYS 23 8.096 4.307 4.086 161 2HD LYS 23 2HD LYS 23 7.540 6.183 5.813 162 2HE LYS 23 2HE LYS 23 5.847 7.824 4.636 163 1HZ LYS 23 1HZ LYS 23 8.401 8.076 5.416 164 2HZ LYS 23 2HZ LYS 23 8.463 8.647 3.886 165 3HZ LYS 23 3HZ LYS 23 7.434 9.312 4.966 166 H TRP 24 H TRP 24 9.023 2.695 4.670 167 HA TRP 24 HA TRP 24 9.371 2.663 7.489 168 2HB TRP 24 2HB TRP 24 8.051 0.584 7.363 169 HD1 TRP 24 HD TRP 24 7.685 4.131 6.545 170 HE1 TRP 24 1HE TRP 24 5.182 4.962 6.428 171 HE3 TRP 24 3HE TRP 24 5.605 -0.504 6.332 172 HZ2 TRP 24 2HZ TRP 24 2.671 3.617 6.262 173 HZ3 TRP 24 3HZ TRP 24 3.121 -0.657 6.193 174 HH2 TRP 24 HH TRP 24 1.665 1.307 6.157 175 H GLY 25 H GLY 25 10.069 0.068 5.035 176 1HA GLY 25 1HA GLY 25 12.019 -1.086 4.705 177 2HA GLY 25 2HA GLY 25 12.774 -0.234 6.037 178 H TRP 26 H TRP 26 13.272 -2.905 5.928 179 HA TRP 26 HA TRP 26 11.506 -4.687 6.982 180 2HB TRP 26 2HB TRP 26 13.867 -5.417 8.169 181 HD1 TRP 26 HD TRP 26 12.000 -5.389 4.782 182 HE1 TRP 26 1HE TRP 26 12.158 -7.740 3.592 183 HE3 TRP 26 3HE TRP 26 15.286 -7.429 8.083 184 HZ2 TRP 26 2HZ TRP 26 13.605 -10.134 4.153 185 HZ3 TRP 26 3HZ TRP 26 16.021 -9.778 7.690 186 HH2 TRP 26 HH TRP 26 15.235 -11.121 5.805 Start of MODEL 6 1 1H LYS 1 H LYS 1 -6.381 7.689 4.453 2 HA LYS 1 HA LYS 1 -6.248 9.609 6.509 3 2HB LYS 1 2HB LYS 1 -5.409 10.346 3.754 4 2HG LYS 1 2HG LYS 1 -3.231 10.350 5.484 5 2HD LYS 1 2HD LYS 1 -5.326 12.517 4.987 6 2HE LYS 1 2HE LYS 1 -3.902 13.010 7.003 7 1HZ LYS 1 1HZ LYS 1 -1.897 12.066 5.260 8 2HZ LYS 1 2HZ LYS 1 -1.522 13.553 5.820 9 3HZ LYS 1 3HZ LYS 1 -1.820 12.337 6.869 10 H SER 2 H SER 2 -7.589 9.861 3.134 11 HA SER 2 HA SER 2 -9.810 11.310 4.195 12 2HB SER 2 2HB SER 2 -9.277 13.156 2.335 13 HG SER 2 HG SER 2 -8.605 12.929 5.049 14 H SER 3 H SER 3 -11.395 11.869 2.325 15 HA SER 3 HA SER 3 -12.513 11.323 0.543 16 2HB SER 3 2HB SER 3 -10.015 9.951 -0.539 17 HG SER 3 HG SER 3 -11.849 11.363 -2.176 18 H ALA 4 H ALA 4 -10.199 8.551 1.063 19 HA ALA 4 HA ALA 4 -12.532 6.870 1.625 20 1HB ALA 4 1HB ALA 4 -11.562 5.088 0.235 21 2HB ALA 4 2HB ALA 4 -11.864 6.546 -0.739 22 3HB ALA 4 3HB ALA 4 -10.210 6.156 -0.212 23 H TYR 5 H TYR 5 -12.212 5.383 3.288 24 HA TYR 5 HA TYR 5 -9.504 5.354 4.436 25 2HB TYR 5 2HB TYR 5 -10.729 5.345 6.646 26 HD1 TYR 5 1HD TYR 5 -12.963 7.323 4.421 27 HD2 TYR 5 2HD TYR 5 -9.624 7.402 7.096 28 HE1 TYR 5 1HE TYR 5 -13.029 9.864 4.440 29 HE2 TYR 5 2HE TYR 5 -9.702 9.943 7.106 30 HH TYR 5 HH TYR 5 -11.797 11.681 6.642 31 H SER 6 H SER 6 -9.812 3.393 2.712 32 HA SER 6 HA SER 6 -10.684 1.150 4.361 33 2HB SER 6 2HB SER 6 -11.571 0.029 2.468 34 HG SER 6 HG SER 6 -13.173 1.379 1.914 35 H LEU 7 H LEU 7 -9.283 -0.680 4.406 36 HA LEU 7 HA LEU 7 -6.581 -0.168 4.029 37 2HB LEU 7 2HB LEU 7 -6.519 -2.780 4.186 38 HG LEU 7 HG LEU 7 -6.908 -2.787 6.580 39 1HD1 LEU 7 1HD1 LEU 7 -5.301 -1.112 7.258 40 2HD1 LEU 7 2HD1 LEU 7 -4.816 -1.809 5.693 41 3HD1 LEU 7 3HD1 LEU 7 -5.568 -0.197 5.754 42 1HD2 LEU 7 1HD2 LEU 7 -9.010 -1.351 6.406 43 2HD2 LEU 7 2HD2 LEU 7 -7.945 -1.068 7.803 44 3HD2 LEU 7 3HD2 LEU 7 -7.918 0.054 6.422 45 H GLN 8 H GLN 8 -7.440 -3.179 2.510 46 HA GLN 8 HA GLN 8 -7.020 -1.985 -0.104 47 2HB GLN 8 2HB GLN 8 -5.682 -4.512 -0.100 48 2HG GLN 8 2HG GLN 8 -5.259 -2.202 -1.326 49 1HE2 GLN 8 1HE2 GLN 8 -4.647 -0.199 -1.061 50 2HE2 GLN 8 2HE2 GLN 8 -3.754 0.460 0.268 51 H MET 9 H MET 9 -7.516 -3.682 -1.905 52 HA MET 9 HA MET 9 -9.369 -5.695 -0.981 53 2HB MET 9 2HB MET 9 -10.870 -3.812 -1.351 54 2HG MET 9 2HG MET 9 -9.664 -3.433 -4.125 55 1HE MET 9 1HE MET 9 -11.685 -1.006 -1.144 56 2HE MET 9 2HE MET 9 -9.962 -0.985 -1.587 57 3HE MET 9 3HE MET 9 -11.072 0.223 -2.276 58 H GLY 10 H GLY 10 -7.774 -4.046 -3.781 59 1HA GLY 10 1HA GLY 10 -8.100 -6.056 -5.677 60 2HA GLY 10 2HA GLY 10 -6.815 -4.864 -5.640 61 H ALA 11 H ALA 11 -4.741 -5.405 -4.840 62 HA ALA 11 HA ALA 11 -4.029 -7.437 -3.218 63 1HB ALA 11 1HB ALA 11 -3.285 -8.946 -5.450 64 2HB ALA 11 2HB ALA 11 -4.587 -9.337 -4.300 65 3HB ALA 11 3HB ALA 11 -4.960 -8.458 -5.802 66 H THR 12 H THR 12 -2.934 -7.016 -6.649 67 HA THR 12 HA THR 12 -0.289 -6.808 -6.223 68 HB THR 12 HB THR 12 -1.183 -6.813 -8.463 69 HG1 THR 12 1HG THR 12 0.134 -5.105 -9.196 70 1HG2 THR 12 1HG2 THR 12 -2.321 -4.020 -8.019 71 2HG2 THR 12 2HG2 THR 12 -2.635 -5.136 -9.369 72 3HG2 THR 12 3HG2 THR 12 -3.323 -5.468 -7.761 73 H ALA 13 H ALA 13 -2.620 -4.051 -5.962 74 HA ALA 13 HA ALA 13 -0.970 -1.999 -5.510 75 1HB ALA 13 1HB ALA 13 -3.058 -1.200 -5.215 76 2HB ALA 13 2HB ALA 13 -3.671 -2.788 -4.698 77 3HB ALA 13 3HB ALA 13 -2.907 -1.701 -3.515 78 H ILE 14 H ILE 14 -1.731 -4.661 -3.209 79 HA ILE 14 HA ILE 14 -0.621 -3.683 -0.931 80 HB ILE 14 HB ILE 14 -0.565 -6.483 -2.053 81 2HG1 ILE 14 2HG1 ILE 14 -2.793 -5.313 -1.716 82 1HG2 ILE 14 1HG2 ILE 14 1.159 -6.206 -0.319 83 2HG2 ILE 14 2HG2 ILE 14 -0.079 -5.592 0.802 84 3HG2 ILE 14 3HG2 ILE 14 -0.168 -7.268 0.211 85 1HD1 ILE 14 1HD1 ILE 14 -2.591 -7.784 -1.742 86 2HD1 ILE 14 2HD1 ILE 14 -2.172 -7.772 -0.013 87 3HD1 ILE 14 3HD1 ILE 14 -3.794 -7.262 -0.539 88 H LYS 15 H LYS 15 1.100 -5.421 -3.612 89 HA LYS 15 HA LYS 15 3.609 -5.416 -2.563 90 2HB LYS 15 2HB LYS 15 2.617 -6.317 -4.817 91 2HG LYS 15 2HG LYS 15 2.341 -3.871 -5.662 92 2HD LYS 15 2HD LYS 15 5.290 -4.101 -5.361 93 2HE LYS 15 2HE LYS 15 5.582 -2.566 -7.418 94 1HZ LYS 15 1HZ LYS 15 6.454 -4.666 -7.643 95 2HZ LYS 15 2HZ LYS 15 5.008 -5.423 -7.584 96 3HZ LYS 15 3HZ LYS 15 5.440 -4.589 -8.920 97 H GLN 16 H GLN 16 1.853 -2.719 -4.172 98 HA GLN 16 HA GLN 16 3.965 -0.994 -4.385 99 2HB GLN 16 2HB GLN 16 2.270 0.784 -4.506 100 2HG GLN 16 2HG GLN 16 1.003 -1.753 -5.622 101 1HE2 GLN 16 1HE2 GLN 16 2.317 0.750 -7.559 102 2HE2 GLN 16 2HE2 GLN 16 0.851 1.568 -7.988 103 H VAL 17 H VAL 17 1.758 -1.635 -1.603 104 HA VAL 17 HA VAL 17 2.592 0.417 0.044 105 HB VAL 17 HB VAL 17 0.692 -1.322 0.238 106 1HG1 VAL 17 1HG1 VAL 17 1.143 -3.413 0.884 107 2HG1 VAL 17 2HG1 VAL 17 2.868 -3.048 0.639 108 3HG1 VAL 17 3HG1 VAL 17 2.135 -2.842 2.248 109 1HG2 VAL 17 1HG2 VAL 17 1.020 0.511 1.816 110 2HG2 VAL 17 2HG2 VAL 17 0.564 -0.976 2.681 111 3HG2 VAL 17 3HG2 VAL 17 2.258 -0.429 2.684 112 H LYS 18 H LYS 18 4.125 -2.689 -0.798 113 HA LYS 18 HA LYS 18 5.992 -2.694 1.302 114 2HB LYS 18 2HB LYS 18 5.421 -4.226 -1.114 115 2HG LYS 18 2HG LYS 18 7.899 -5.170 -0.937 116 2HD LYS 18 2HD LYS 18 8.530 -3.137 -2.625 117 2HE LYS 18 2HE LYS 18 7.153 -4.393 -4.388 118 1HZ LYS 18 1HZ LYS 18 8.333 -6.572 -3.151 119 2HZ LYS 18 2HZ LYS 18 8.920 -5.676 -4.385 120 3HZ LYS 18 3HZ LYS 18 9.277 -5.274 -2.844 121 H LYS 19 H LYS 19 5.874 -1.143 -1.918 122 HA LYS 19 HA LYS 19 8.596 -0.392 -1.937 123 2HB LYS 19 2HB LYS 19 6.228 -0.048 -3.599 124 2HG LYS 19 2HG LYS 19 7.316 2.029 -4.723 125 2HD LYS 19 2HD LYS 19 6.296 3.453 -2.574 126 2HE LYS 19 2HE LYS 19 4.781 1.941 -4.755 127 1HZ LYS 19 1HZ LYS 19 2.971 2.896 -3.979 128 2HZ LYS 19 2HZ LYS 19 3.779 3.310 -2.621 129 3HZ LYS 19 3HZ LYS 19 3.675 4.364 -3.863 130 H LEU 20 H LEU 20 5.841 0.668 -0.129 131 HA LEU 20 HA LEU 20 6.942 3.320 0.281 132 2HB LEU 20 2HB LEU 20 4.394 2.353 0.140 133 HG LEU 20 HG LEU 20 4.643 1.452 2.519 134 1HD1 LEU 20 1HD1 LEU 20 5.554 4.135 2.954 135 2HD1 LEU 20 2HD1 LEU 20 4.081 3.852 3.912 136 3HD1 LEU 20 3HD1 LEU 20 5.482 2.769 4.091 137 1HD2 LEU 20 1HD2 LEU 20 2.469 3.409 2.721 138 2HD2 LEU 20 2HD2 LEU 20 2.512 2.541 1.168 139 3HD2 LEU 20 3HD2 LEU 20 2.422 1.631 2.695 140 H PHE 21 H PHE 21 7.207 0.126 1.555 141 HA PHE 21 HA PHE 21 7.630 0.836 4.265 142 2HB PHE 21 2HB PHE 21 9.029 -1.569 3.293 143 HD1 PHE 21 1HD PHE 21 9.268 -2.307 5.511 144 HD2 PHE 21 2HD PHE 21 5.415 -1.267 4.069 145 HE1 PHE 21 1HE PHE 21 8.232 -3.263 7.588 146 HE2 PHE 21 2HE PHE 21 4.380 -2.222 6.146 147 HZ PHE 21 HZ PHE 21 5.800 -3.209 7.880 148 H LYS 22 H LYS 22 9.540 1.082 1.359 149 HA LYS 22 HA LYS 22 12.089 0.661 2.328 150 2HB LYS 22 2HB LYS 22 11.051 1.274 -0.068 151 2HG LYS 22 2HG LYS 22 12.279 3.540 -0.604 152 2HD LYS 22 2HD LYS 22 9.574 3.110 0.647 153 2HE LYS 22 2HE LYS 22 10.953 5.563 1.018 154 1HZ LYS 22 1HZ LYS 22 10.340 5.784 -1.429 155 2HZ LYS 22 2HZ LYS 22 8.803 5.975 -0.910 156 3HZ LYS 22 3HZ LYS 22 9.962 7.019 -0.430 157 H LYS 23 H LYS 23 9.756 3.101 3.155 158 HA LYS 23 HA LYS 23 11.863 4.810 4.246 159 2HB LYS 23 2HB LYS 23 10.226 5.920 2.826 160 2HG LYS 23 2HG LYS 23 8.352 4.268 4.361 161 2HD LYS 23 2HD LYS 23 8.011 7.282 4.360 162 2HE LYS 23 2HE LYS 23 5.722 5.281 4.607 163 1HZ LYS 23 1HZ LYS 23 6.013 7.939 5.246 164 2HZ LYS 23 2HZ LYS 23 5.079 7.904 3.907 165 3HZ LYS 23 3HZ LYS 23 4.632 7.067 5.237 166 H TRP 24 H TRP 24 9.307 2.516 5.067 167 HA TRP 24 HA TRP 24 9.185 3.288 7.817 168 2HB TRP 24 2HB TRP 24 7.960 1.053 7.980 169 HD1 TRP 24 HD TRP 24 7.606 4.513 6.801 170 HE1 TRP 24 1HE TRP 24 5.104 5.310 6.545 171 HE3 TRP 24 3HE TRP 24 5.552 -0.132 7.031 172 HZ2 TRP 24 2HZ TRP 24 2.602 3.938 6.469 173 HZ3 TRP 24 3HZ TRP 24 3.073 -0.316 6.858 174 HH2 TRP 24 HH TRP 24 1.609 1.623 6.586 175 H GLY 25 H GLY 25 10.360 0.303 6.084 176 1HA GLY 25 1HA GLY 25 12.788 0.273 7.642 177 2HA GLY 25 2HA GLY 25 11.639 -0.969 8.103 178 H TRP 26 H TRP 26 12.236 -2.893 7.203 179 HA TRP 26 HA TRP 26 13.659 -2.931 4.710 180 2HB TRP 26 2HB TRP 26 13.583 -5.411 5.084 181 HD1 TRP 26 HD TRP 26 14.452 -2.629 7.676 182 HE1 TRP 26 1HE TRP 26 16.898 -2.961 8.609 183 HE3 TRP 26 3HE TRP 26 15.337 -7.025 5.276 184 HZ2 TRP 26 2HZ TRP 26 18.884 -4.979 8.248 185 HZ3 TRP 26 3HZ TRP 26 17.555 -8.110 5.621 186 HH2 TRP 26 HH TRP 26 19.296 -7.157 7.047 Start of MODEL 7 1 1H LYS 1 H LYS 1 -17.901 9.608 0.585 2 HA LYS 1 HA LYS 1 -16.190 11.373 0.203 3 2HB LYS 1 2HB LYS 1 -17.455 13.328 0.547 4 2HG LYS 1 2HG LYS 1 -18.243 13.660 3.110 5 2HD LYS 1 2HD LYS 1 -19.523 12.974 0.622 6 2HE LYS 1 2HE LYS 1 -20.360 11.341 3.005 7 1HZ LYS 1 1HZ LYS 1 -22.415 12.089 2.905 8 2HZ LYS 1 2HZ LYS 1 -22.096 13.088 1.654 9 3HZ LYS 1 3HZ LYS 1 -22.534 11.540 1.372 10 H SER 2 H SER 2 -14.385 10.497 1.062 11 HA SER 2 HA SER 2 -14.091 10.128 3.803 12 2HB SER 2 2HB SER 2 -14.436 7.535 2.234 13 HG SER 2 HG SER 2 -13.002 7.261 3.994 14 H SER 3 H SER 3 -11.888 9.267 4.316 15 HA SER 3 HA SER 3 -10.201 8.614 2.132 16 2HB SER 3 2HB SER 3 -8.750 10.765 3.247 17 HG SER 3 HG SER 3 -9.777 11.695 1.011 18 H ALA 4 H ALA 4 -9.708 6.735 3.352 19 HA ALA 4 HA ALA 4 -8.516 7.218 5.990 20 1HB ALA 4 1HB ALA 4 -8.936 4.762 6.300 21 2HB ALA 4 2HB ALA 4 -10.419 5.708 6.028 22 3HB ALA 4 3HB ALA 4 -9.727 4.738 4.705 23 H TYR 5 H TYR 5 -6.722 5.446 6.472 24 HA TYR 5 HA TYR 5 -4.578 6.009 4.799 25 2HB TYR 5 2HB TYR 5 -4.849 5.106 7.284 26 HD1 TYR 5 1HD TYR 5 -7.065 3.527 6.691 27 HD2 TYR 5 2HD TYR 5 -2.961 2.318 6.645 28 HE1 TYR 5 1HE TYR 5 -7.765 1.111 7.065 29 HE2 TYR 5 2HE TYR 5 -3.675 -0.093 7.020 30 HH TYR 5 HH TYR 5 -6.047 -1.383 6.402 31 H SER 6 H SER 6 -7.192 3.768 4.384 32 HA SER 6 HA SER 6 -5.814 2.718 2.082 33 2HB SER 6 2HB SER 6 -6.681 0.369 2.691 34 HG SER 6 HG SER 6 -4.604 1.674 4.218 35 H LEU 7 H LEU 7 -7.409 1.557 0.585 36 HA LEU 7 HA LEU 7 -10.182 2.269 1.140 37 2HB LEU 7 2HB LEU 7 -9.747 4.139 -0.076 38 HG LEU 7 HG LEU 7 -7.385 2.875 -0.966 39 1HD1 LEU 7 1HD1 LEU 7 -9.154 3.695 -3.286 40 2HD1 LEU 7 2HD1 LEU 7 -7.401 3.400 -3.388 41 3HD1 LEU 7 3HD1 LEU 7 -8.504 2.073 -2.948 42 1HD2 LEU 7 1HD2 LEU 7 -7.876 5.257 -0.153 43 2HD2 LEU 7 2HD2 LEU 7 -6.663 5.049 -1.438 44 3HD2 LEU 7 3HD2 LEU 7 -8.303 5.609 -1.846 45 H GLN 8 H GLN 8 -7.794 0.651 -1.042 46 HA GLN 8 HA GLN 8 -9.636 -1.590 -1.097 47 2HB GLN 8 2HB GLN 8 -8.555 -1.691 -3.640 48 2HG GLN 8 2HG GLN 8 -11.131 -0.274 -2.806 49 1HE2 GLN 8 1HE2 GLN 8 -12.042 0.671 -4.448 50 2HE2 GLN 8 2HE2 GLN 8 -11.944 0.219 -6.117 51 H MET 9 H MET 9 -8.619 -3.620 -1.017 52 HA MET 9 HA MET 9 -5.702 -3.485 -0.995 53 2HB MET 9 2HB MET 9 -6.467 -3.864 1.284 54 2HG MET 9 2HG MET 9 -7.975 -6.053 1.577 55 1HE MET 9 1HE MET 9 -11.539 -4.146 1.437 56 2HE MET 9 2HE MET 9 -10.842 -4.604 -0.136 57 3HE MET 9 3HE MET 9 -10.765 -5.737 1.235 58 H GLY 10 H GLY 10 -8.660 -5.240 -1.926 59 1HA GLY 10 1HA GLY 10 -8.959 -7.160 -3.110 60 2HA GLY 10 2HA GLY 10 -7.878 -6.341 -4.220 61 H ALA 11 H ALA 11 -5.703 -7.012 -4.443 62 HA ALA 11 HA ALA 11 -4.615 -8.916 -2.593 63 1HB ALA 11 1HB ALA 11 -5.491 -10.714 -3.659 64 2HB ALA 11 2HB ALA 11 -5.942 -9.761 -5.092 65 3HB ALA 11 3HB ALA 11 -4.278 -10.366 -4.914 66 H THR 12 H THR 12 -4.338 -7.808 -6.050 67 HA THR 12 HA THR 12 -1.539 -7.783 -6.049 68 HB THR 12 HB THR 12 -1.905 -6.441 -8.146 69 HG1 THR 12 1HG THR 12 -3.664 -5.122 -7.542 70 1HG2 THR 12 1HG2 THR 12 -3.062 -9.023 -7.593 71 2HG2 THR 12 2HG2 THR 12 -4.236 -8.104 -8.565 72 3HG2 THR 12 3HG2 THR 12 -2.584 -8.362 -9.175 73 H ALA 13 H ALA 13 -3.942 -5.195 -5.316 74 HA ALA 13 HA ALA 13 -2.344 -3.035 -5.163 75 1HB ALA 13 1HB ALA 13 -4.469 -2.450 -4.606 76 2HB ALA 13 2HB ALA 13 -4.788 -4.000 -3.791 77 3HB ALA 13 3HB ALA 13 -3.911 -2.709 -2.936 78 H ILE 14 H ILE 14 -2.726 -5.601 -2.634 79 HA ILE 14 HA ILE 14 -1.247 -4.585 -0.634 80 HB ILE 14 HB ILE 14 -1.308 -7.406 -1.702 81 2HG1 ILE 14 2HG1 ILE 14 -3.430 -6.098 -0.875 82 1HG2 ILE 14 1HG2 ILE 14 -0.498 -6.615 1.096 83 2HG2 ILE 14 2HG2 ILE 14 -0.352 -8.197 0.292 84 3HG2 ILE 14 3HG2 ILE 14 0.687 -6.842 -0.213 85 1HD1 ILE 14 1HD1 ILE 14 -4.406 -8.163 -0.307 86 2HD1 ILE 14 2HD1 ILE 14 -3.001 -8.669 -1.273 87 3HD1 ILE 14 3HD1 ILE 14 -2.934 -8.747 0.504 88 H LYS 15 H LYS 15 0.048 -6.269 -3.571 89 HA LYS 15 HA LYS 15 2.698 -6.221 -2.939 90 2HB LYS 15 2HB LYS 15 1.335 -5.860 -5.621 91 2HG LYS 15 2HG LYS 15 3.606 -6.939 -6.364 92 2HD LYS 15 2HD LYS 15 4.190 -4.141 -5.533 93 2HE LYS 15 2HE LYS 15 4.529 -5.920 -7.838 94 1HZ LYS 15 1HZ LYS 15 4.050 -3.205 -8.666 95 2HZ LYS 15 2HZ LYS 15 3.831 -4.599 -9.487 96 3HZ LYS 15 3HZ LYS 15 2.718 -4.111 -8.396 97 H GLN 16 H GLN 16 0.683 -3.575 -4.345 98 HA GLN 16 HA GLN 16 2.703 -1.806 -4.822 99 2HB GLN 16 2HB GLN 16 0.936 -0.046 -4.620 100 2HG GLN 16 2HG GLN 16 0.336 -2.668 -6.022 101 1HE2 GLN 16 1HE2 GLN 16 -1.009 -1.841 -8.123 102 2HE2 GLN 16 2HE2 GLN 16 -2.575 -1.216 -7.727 103 H VAL 17 H VAL 17 0.955 -2.545 -1.766 104 HA VAL 17 HA VAL 17 1.841 -0.446 -0.228 105 HB VAL 17 HB VAL 17 1.396 -3.331 0.565 106 1HG1 VAL 17 1HG1 VAL 17 1.044 -2.566 2.795 107 2HG1 VAL 17 2HG1 VAL 17 2.576 -1.846 2.247 108 3HG1 VAL 17 3HG1 VAL 17 1.096 -0.859 2.294 109 1HG2 VAL 17 1HG2 VAL 17 -0.421 -1.736 -0.678 110 2HG2 VAL 17 2HG2 VAL 17 -0.842 -3.005 0.498 111 3HG2 VAL 17 3HG2 VAL 17 -0.719 -1.308 1.023 112 H LYS 18 H LYS 18 3.504 -3.465 -1.220 113 HA LYS 18 HA LYS 18 5.688 -3.167 0.521 114 2HB LYS 18 2HB LYS 18 4.860 -4.913 -1.660 115 2HG LYS 18 2HG LYS 18 7.406 -5.624 -1.896 116 2HD LYS 18 2HD LYS 18 7.520 -3.655 -3.773 117 2HE LYS 18 2HE LYS 18 5.843 -5.183 -5.110 118 1HZ LYS 18 1HZ LYS 18 8.132 -5.491 -5.366 119 2HZ LYS 18 2HZ LYS 18 8.327 -6.130 -3.875 120 3HZ LYS 18 3HZ LYS 18 7.544 -6.977 -5.031 121 H LYS 19 H LYS 19 4.885 -1.849 -2.703 122 HA LYS 19 HA LYS 19 7.477 -0.900 -3.263 123 2HB LYS 19 2HB LYS 19 4.799 -0.765 -4.431 124 2HG LYS 19 2HG LYS 19 5.556 1.268 -5.863 125 2HD LYS 19 2HD LYS 19 4.941 2.799 -3.637 126 2HE LYS 19 2HE LYS 19 3.078 1.105 -5.368 127 1HZ LYS 19 1HZ LYS 19 1.463 2.768 -4.722 128 2HZ LYS 19 2HZ LYS 19 1.973 1.923 -3.420 129 3HZ LYS 19 3HZ LYS 19 2.520 3.440 -3.674 130 H LEU 20 H LEU 20 5.041 0.062 -0.998 131 HA LEU 20 HA LEU 20 6.100 2.776 -0.870 132 2HB LEU 20 2HB LEU 20 3.558 1.793 -0.695 133 HG LEU 20 HG LEU 20 4.076 0.996 1.680 134 1HD1 LEU 20 1HD1 LEU 20 4.956 3.731 1.896 135 2HD1 LEU 20 2HD1 LEU 20 3.640 3.414 3.052 136 3HD1 LEU 20 3HD1 LEU 20 5.099 2.395 3.064 137 1HD2 LEU 20 1HD2 LEU 20 1.824 1.095 1.143 138 2HD2 LEU 20 2HD2 LEU 20 1.933 2.159 2.566 139 3HD2 LEU 20 3HD2 LEU 20 1.840 2.862 0.934 140 H PHE 21 H PHE 21 6.576 -0.360 0.454 141 HA PHE 21 HA PHE 21 7.430 0.621 3.032 142 2HB PHE 21 2HB PHE 21 8.249 -2.087 2.490 143 HD1 PHE 21 1HD PHE 21 4.663 -1.542 2.899 144 HD2 PHE 21 2HD PHE 21 8.368 -1.960 4.925 145 HE1 PHE 21 1HE PHE 21 3.439 -1.912 5.059 146 HE2 PHE 21 2HE PHE 21 7.144 -2.330 7.084 147 HZ PHE 21 HZ PHE 21 4.695 -2.302 7.126 148 H LYS 22 H LYS 22 8.758 0.091 -0.147 149 HA LYS 22 HA LYS 22 11.387 -0.566 0.606 150 2HB LYS 22 2HB LYS 22 10.810 -1.080 -1.594 151 2HG LYS 22 2HG LYS 22 8.833 0.294 -1.917 152 2HD LYS 22 2HD LYS 22 10.764 2.515 -1.345 153 2HE LYS 22 2HE LYS 22 9.151 2.507 -3.753 154 1HZ LYS 22 1HZ LYS 22 7.649 4.114 -3.344 155 2HZ LYS 22 2HZ LYS 22 7.626 3.429 -1.862 156 3HZ LYS 22 3HZ LYS 22 8.484 4.795 -2.117 157 H LYS 23 H LYS 23 9.528 2.248 1.103 158 HA LYS 23 HA LYS 23 11.988 3.840 1.332 159 2HB LYS 23 2HB LYS 23 10.615 4.778 -0.393 160 2HG LYS 23 2HG LYS 23 8.428 4.056 1.475 161 2HD LYS 23 2HD LYS 23 8.647 6.705 1.448 162 2HE LYS 23 2HE LYS 23 8.734 6.499 -1.209 163 1HZ LYS 23 1HZ LYS 23 6.842 5.735 -2.009 164 2HZ LYS 23 2HZ LYS 23 6.085 5.778 -0.562 165 3HZ LYS 23 3HZ LYS 23 6.108 7.106 -1.510 166 H TRP 24 H TRP 24 10.109 1.899 3.101 167 HA TRP 24 HA TRP 24 9.777 3.781 5.321 168 2HB TRP 24 2HB TRP 24 8.591 1.646 6.274 169 HD1 TRP 24 HD TRP 24 8.116 4.598 3.977 170 HE1 TRP 24 1HE TRP 24 5.640 5.513 4.008 171 HE3 TRP 24 3HE TRP 24 6.132 0.655 6.501 172 HZ2 TRP 24 2HZ TRP 24 3.186 4.508 5.062 173 HZ3 TRP 24 3HZ TRP 24 3.688 0.700 6.991 174 HH2 TRP 24 HH TRP 24 2.228 2.540 6.314 175 H GLY 25 H GLY 25 10.509 2.969 7.505 176 1HA GLY 25 1HA GLY 25 12.825 1.146 7.262 177 2HA GLY 25 2HA GLY 25 12.913 2.665 8.132 178 H TRP 26 H TRP 26 12.743 2.449 10.314 179 HA TRP 26 HA TRP 26 11.678 0.042 11.425 180 2HB TRP 26 2HB TRP 26 13.576 0.996 12.472 181 HD1 TRP 26 HD TRP 26 11.162 3.880 11.813 182 HE1 TRP 26 1HE TRP 26 12.244 6.215 12.394 183 HE3 TRP 26 3HE TRP 26 15.287 1.988 14.104 184 HZ2 TRP 26 2HZ TRP 26 14.650 6.992 13.717 185 HZ3 TRP 26 3HZ TRP 26 16.955 3.604 15.013 186 HH2 TRP 26 HH TRP 26 16.687 6.027 14.848 Start of MODEL 8 1 1H LYS 1 H LYS 1 -11.574 12.034 9.274 2 HA LYS 1 HA LYS 1 -10.488 10.746 7.803 3 2HB LYS 1 2HB LYS 1 -10.273 13.091 6.981 4 2HG LYS 1 2HG LYS 1 -8.420 13.488 8.914 5 2HD LYS 1 2HD LYS 1 -6.588 13.341 6.546 6 2HE LYS 1 2HE LYS 1 -5.023 12.605 8.459 7 1HZ LYS 1 1HZ LYS 1 -6.386 15.183 8.807 8 2HZ LYS 1 2HZ LYS 1 -4.863 14.815 9.268 9 3HZ LYS 1 3HZ LYS 1 -5.237 14.899 7.680 10 H SER 2 H SER 2 -8.917 9.147 7.539 11 HA SER 2 HA SER 2 -6.464 9.331 8.925 12 2HB SER 2 2HB SER 2 -7.845 8.732 10.855 13 HG SER 2 HG SER 2 -9.163 6.908 10.876 14 H SER 3 H SER 3 -5.615 8.882 6.820 15 HA SER 3 HA SER 3 -4.815 7.599 5.261 16 2HB SER 3 2HB SER 3 -4.820 5.128 5.484 17 HG SER 3 HG SER 3 -4.365 6.677 7.875 18 H ALA 4 H ALA 4 -7.881 5.843 6.163 19 HA ALA 4 HA ALA 4 -9.541 5.112 4.859 20 1HB ALA 4 1HB ALA 4 -9.530 7.889 3.659 21 2HB ALA 4 2HB ALA 4 -10.918 6.873 4.116 22 3HB ALA 4 3HB ALA 4 -9.916 7.632 5.377 23 H TYR 5 H TYR 5 -10.149 6.489 2.152 24 HA TYR 5 HA TYR 5 -9.825 5.998 0.014 25 2HB TYR 5 2HB TYR 5 -7.072 5.652 -0.295 26 HD1 TYR 5 1HD TYR 5 -6.615 8.677 1.158 27 HD2 TYR 5 2HD TYR 5 -8.983 6.932 -1.948 28 HE1 TYR 5 1HE TYR 5 -6.825 10.947 0.032 29 HE2 TYR 5 2HE TYR 5 -9.184 9.207 -3.064 30 HH TYR 5 HH TYR 5 -8.971 11.819 -1.874 31 H SER 6 H SER 6 -10.331 3.752 1.828 32 HA SER 6 HA SER 6 -10.438 1.586 1.750 33 2HB SER 6 2HB SER 6 -10.058 0.376 -0.338 34 HG SER 6 HG SER 6 -10.791 2.700 -1.636 35 H LEU 7 H LEU 7 -9.128 -0.387 2.133 36 HA LEU 7 HA LEU 7 -6.255 0.193 2.289 37 2HB LEU 7 2HB LEU 7 -6.967 0.464 4.492 38 HG LEU 7 HG LEU 7 -9.159 -1.149 3.939 39 1HD1 LEU 7 1HD1 LEU 7 -7.095 -2.726 5.346 40 2HD1 LEU 7 2HD1 LEU 7 -8.713 -2.746 6.087 41 3HD1 LEU 7 3HD1 LEU 7 -8.503 -3.252 4.393 42 1HD2 LEU 7 1HD2 LEU 7 -9.910 -0.551 6.116 43 2HD2 LEU 7 2HD2 LEU 7 -8.245 -0.329 6.704 44 3HD2 LEU 7 3HD2 LEU 7 -8.925 0.801 5.509 45 H GLN 8 H GLN 8 -8.765 -2.429 2.493 46 HA GLN 8 HA GLN 8 -7.008 -3.960 0.744 47 2HB GLN 8 2HB GLN 8 -8.566 -5.017 3.145 48 2HG GLN 8 2HG GLN 8 -7.055 -6.374 0.892 49 1HE2 GLN 8 1HE2 GLN 8 -8.556 -8.665 2.496 50 2HE2 GLN 8 2HE2 GLN 8 -7.332 -9.260 3.566 51 H MET 9 H MET 9 -8.084 -5.318 -0.809 52 HA MET 9 HA MET 9 -10.788 -5.800 -0.815 53 2HB MET 9 2HB MET 9 -11.056 -3.348 -1.113 54 2HG MET 9 2HG MET 9 -9.417 -3.640 -3.671 55 1HE MET 9 1HE MET 9 -9.625 -1.933 -5.317 56 2HE MET 9 2HE MET 9 -11.329 -2.359 -5.028 57 3HE MET 9 3HE MET 9 -10.859 -0.653 -5.222 58 H GLY 10 H GLY 10 -7.824 -5.083 -2.697 59 1HA GLY 10 1HA GLY 10 -8.599 -7.187 -4.626 60 2HA GLY 10 2HA GLY 10 -7.524 -5.845 -4.961 61 H ALA 11 H ALA 11 -5.340 -6.173 -4.765 62 HA ALA 11 HA ALA 11 -4.199 -7.748 -2.745 63 1HB ALA 11 1HB ALA 11 -3.958 -9.072 -5.450 64 2HB ALA 11 2HB ALA 11 -3.636 -9.746 -3.835 65 3HB ALA 11 3HB ALA 11 -5.313 -9.474 -4.367 66 H THR 12 H THR 12 -3.584 -7.204 -6.292 67 HA THR 12 HA THR 12 -0.943 -6.680 -6.208 68 HB THR 12 HB THR 12 -2.059 -6.730 -8.324 69 HG1 THR 12 1HG THR 12 -1.433 -4.590 -9.112 70 1HG2 THR 12 1HG2 THR 12 -4.165 -5.378 -6.973 71 2HG2 THR 12 2HG2 THR 12 -3.567 -4.221 -8.187 72 3HG2 THR 12 3HG2 THR 12 -4.129 -5.831 -8.694 73 H ALA 13 H ALA 13 -3.553 -4.285 -5.480 74 HA ALA 13 HA ALA 13 -2.145 -2.031 -5.184 75 1HB ALA 13 1HB ALA 13 -4.573 -3.196 -4.076 76 2HB ALA 13 2HB ALA 13 -3.788 -2.115 -2.898 77 3HB ALA 13 3HB ALA 13 -4.227 -1.506 -4.512 78 H ILE 14 H ILE 14 -2.304 -4.748 -2.800 79 HA ILE 14 HA ILE 14 -0.915 -3.656 -0.743 80 HB ILE 14 HB ILE 14 -0.842 -6.461 -1.850 81 2HG1 ILE 14 2HG1 ILE 14 -3.058 -5.493 -1.148 82 1HG2 ILE 14 1HG2 ILE 14 -0.052 -5.655 0.951 83 2HG2 ILE 14 2HG2 ILE 14 0.142 -7.232 0.147 84 3HG2 ILE 14 3HG2 ILE 14 1.131 -5.842 -0.366 85 1HD1 ILE 14 1HD1 ILE 14 -3.127 -7.816 -1.036 86 2HD1 ILE 14 2HD1 ILE 14 -1.749 -7.907 0.087 87 3HD1 ILE 14 3HD1 ILE 14 -3.355 -7.426 0.685 88 H LYS 15 H LYS 15 0.498 -5.333 -3.637 89 HA LYS 15 HA LYS 15 3.122 -5.156 -3.038 90 2HB LYS 15 2HB LYS 15 1.706 -4.796 -5.687 91 2HG LYS 15 2HG LYS 15 3.999 -5.549 -6.596 92 2HD LYS 15 2HD LYS 15 4.428 -2.840 -5.407 93 2HE LYS 15 2HE LYS 15 4.963 -4.291 -7.875 94 1HZ LYS 15 1HZ LYS 15 4.502 -2.005 -9.062 95 2HZ LYS 15 2HZ LYS 15 3.419 -3.227 -9.078 96 3HZ LYS 15 3HZ LYS 15 3.236 -1.989 -8.030 97 H GLN 16 H GLN 16 1.001 -2.525 -4.300 98 HA GLN 16 HA GLN 16 2.973 -0.672 -4.717 99 2HB GLN 16 2HB GLN 16 0.236 -0.733 -4.955 100 2HG GLN 16 2HG GLN 16 0.914 1.349 -2.824 101 1HE2 GLN 16 1HE2 GLN 16 -1.100 2.278 -1.943 102 2HE2 GLN 16 2HE2 GLN 16 -2.386 2.682 -3.031 103 H VAL 17 H VAL 17 1.187 -1.544 -1.710 104 HA VAL 17 HA VAL 17 2.043 0.520 -0.100 105 HB VAL 17 HB VAL 17 0.365 -1.414 0.262 106 1HG1 VAL 17 1HG1 VAL 17 1.100 -3.458 0.787 107 2HG1 VAL 17 2HG1 VAL 17 2.727 -2.916 0.310 108 3HG1 VAL 17 3HG1 VAL 17 2.218 -2.814 2.013 109 1HG2 VAL 17 1HG2 VAL 17 0.506 -1.132 2.707 110 2HG2 VAL 17 2HG2 VAL 17 2.132 -0.431 2.529 111 3HG2 VAL 17 3HG2 VAL 17 0.720 0.413 1.850 112 H LYS 18 H LYS 18 3.739 -2.404 -1.244 113 HA LYS 18 HA LYS 18 5.862 -2.268 0.589 114 2HB LYS 18 2HB LYS 18 5.115 -3.803 -1.773 115 2HG LYS 18 2HG LYS 18 7.676 -4.486 -1.977 116 2HD LYS 18 2HD LYS 18 7.838 -2.362 -3.673 117 2HE LYS 18 2HE LYS 18 6.166 -3.796 -5.164 118 1HZ LYS 18 1HZ LYS 18 8.012 -4.819 -5.805 119 2HZ LYS 18 2HZ LYS 18 8.786 -3.930 -4.676 120 3HZ LYS 18 3HZ LYS 18 8.329 -5.461 -4.337 121 H LYS 19 H LYS 19 5.186 -0.690 -2.553 122 HA LYS 19 HA LYS 19 7.793 0.337 -2.883 123 2HB LYS 19 2HB LYS 19 5.211 0.468 -4.228 124 2HG LYS 19 2HG LYS 19 5.943 2.656 -5.425 125 2HD LYS 19 2HD LYS 19 5.084 3.948 -3.129 126 2HE LYS 19 2HE LYS 19 3.452 2.323 -5.138 127 1HZ LYS 19 1HZ LYS 19 1.680 3.763 -4.469 128 2HZ LYS 19 2HZ LYS 19 2.206 2.933 -3.165 129 3HZ LYS 19 3HZ LYS 19 2.615 4.502 -3.353 130 H LEU 20 H LEU 20 5.197 1.085 -0.720 131 HA LEU 20 HA LEU 20 6.076 3.829 -0.376 132 2HB LEU 20 2HB LEU 20 3.637 2.608 -0.227 133 HG LEU 20 HG LEU 20 4.274 1.720 2.085 134 1HD1 LEU 20 1HD1 LEU 20 4.966 4.468 2.457 135 2HD1 LEU 20 2HD1 LEU 20 3.636 4.057 3.565 136 3HD1 LEU 20 3HD1 LEU 20 5.138 3.102 3.584 137 1HD2 LEU 20 1HD2 LEU 20 1.943 3.454 2.553 138 2HD2 LEU 20 2HD2 LEU 20 1.894 2.542 1.025 139 3HD2 LEU 20 3HD2 LEU 20 2.086 1.680 2.570 140 H PHE 21 H PHE 21 6.789 0.652 0.781 141 HA PHE 21 HA PHE 21 7.468 1.345 3.434 142 2HB PHE 21 2HB PHE 21 8.993 -0.861 2.200 143 HD1 PHE 21 1HD PHE 21 9.609 -1.705 4.289 144 HD2 PHE 21 2HD PHE 21 5.515 -0.903 3.511 145 HE1 PHE 21 1HE PHE 21 8.981 -2.819 6.449 146 HE2 PHE 21 2HE PHE 21 4.887 -2.018 5.670 147 HZ PHE 21 HZ PHE 21 6.627 -2.963 7.114 148 H LYS 22 H LYS 22 8.965 1.926 0.352 149 HA LYS 22 HA LYS 22 11.625 1.714 0.818 150 2HB LYS 22 2HB LYS 22 10.210 2.587 -1.227 151 2HG LYS 22 2HG LYS 22 10.942 5.124 -1.421 152 2HD LYS 22 2HD LYS 22 8.551 4.031 0.103 153 2HE LYS 22 2HE LYS 22 9.197 6.448 0.814 154 1HZ LYS 22 1HZ LYS 22 8.937 8.085 -0.729 155 2HZ LYS 22 2HZ LYS 22 9.647 6.940 -1.652 156 3HZ LYS 22 3HZ LYS 22 8.035 7.184 -1.749 157 H LYS 23 H LYS 23 9.314 3.880 2.353 158 HA LYS 23 HA LYS 23 11.510 5.423 3.508 159 2HB LYS 23 2HB LYS 23 9.866 6.855 2.630 160 2HG LYS 23 2HG LYS 23 8.014 4.716 3.525 161 2HD LYS 23 2HD LYS 23 7.541 6.824 5.031 162 2HE LYS 23 2HE LYS 23 7.519 8.085 2.526 163 1HZ LYS 23 1HZ LYS 23 5.472 7.951 1.772 164 2HZ LYS 23 2HZ LYS 23 4.990 7.016 3.021 165 3HZ LYS 23 3HZ LYS 23 4.897 8.643 3.135 166 H TRP 24 H TRP 24 8.869 3.131 4.266 167 HA TRP 24 HA TRP 24 9.173 3.341 7.075 168 2HB TRP 24 2HB TRP 24 7.817 1.274 7.107 169 HD1 TRP 24 HD TRP 24 7.540 4.745 5.930 170 HE1 TRP 24 1HE TRP 24 5.056 5.612 5.728 171 HE3 TRP 24 3HE TRP 24 5.359 0.160 6.222 172 HZ2 TRP 24 2HZ TRP 24 2.514 4.313 5.715 173 HZ3 TRP 24 3HZ TRP 24 2.871 0.047 6.107 174 HH2 TRP 24 HH TRP 24 1.459 2.027 5.862 175 H GLY 25 H GLY 25 9.793 0.437 4.985 176 1HA GLY 25 1HA GLY 25 11.280 -1.247 5.284 177 2HA GLY 25 2HA GLY 25 12.441 0.064 5.210 178 H TRP 26 H TRP 26 10.627 -2.132 7.339 179 HA TRP 26 HA TRP 26 12.118 -1.104 9.642 180 2HB TRP 26 2HB TRP 26 10.321 -3.063 10.496 181 HD1 TRP 26 HD TRP 26 10.942 0.717 10.063 182 HE1 TRP 26 1HE TRP 26 10.073 2.075 12.152 183 HE3 TRP 26 3HE TRP 26 8.631 -3.212 12.314 184 HZ2 TRP 26 2HZ TRP 26 8.552 1.368 14.460 185 HZ3 TRP 26 3HZ TRP 26 7.477 -2.793 14.483 186 HH2 TRP 26 HH TRP 26 7.414 -0.598 15.557 Start of MODEL 9 1 1H LYS 1 H LYS 1 -10.690 17.043 6.579 2 HA LYS 1 HA LYS 1 -9.031 17.109 9.001 3 2HB LYS 1 2HB LYS 1 -10.977 15.696 9.985 4 2HG LYS 1 2HG LYS 1 -12.254 17.911 10.477 5 2HD LYS 1 2HD LYS 1 -9.272 17.551 10.989 6 2HE LYS 1 2HE LYS 1 -10.657 19.985 11.251 7 1HZ LYS 1 1HZ LYS 1 -10.526 18.547 13.808 8 2HZ LYS 1 2HZ LYS 1 -10.696 20.166 13.686 9 3HZ LYS 1 3HZ LYS 1 -11.858 19.176 13.104 10 H SER 2 H SER 2 -11.084 14.841 7.028 11 HA SER 2 HA SER 2 -8.809 13.020 7.156 12 2HB SER 2 2HB SER 2 -11.199 11.599 6.458 13 HG SER 2 HG SER 2 -9.262 10.945 7.805 14 H SER 3 H SER 3 -8.306 11.800 5.201 15 HA SER 3 HA SER 3 -9.228 13.211 2.847 16 2HB SER 3 2HB SER 3 -6.850 13.124 2.944 17 HG SER 3 HG SER 3 -6.015 11.596 4.193 18 H ALA 4 H ALA 4 -8.645 9.829 4.054 19 HA ALA 4 HA ALA 4 -11.034 8.964 2.685 20 1HB ALA 4 1HB ALA 4 -9.700 7.082 1.570 21 2HB ALA 4 2HB ALA 4 -9.530 8.702 0.852 22 3HB ALA 4 3HB ALA 4 -8.246 8.054 1.900 23 H TYR 5 H TYR 5 -11.795 6.908 3.500 24 HA TYR 5 HA TYR 5 -10.226 5.707 5.630 25 2HB TYR 5 2HB TYR 5 -11.639 7.585 6.613 26 HD1 TYR 5 1HD TYR 5 -12.909 8.315 4.330 27 HD2 TYR 5 2HD TYR 5 -14.423 5.588 7.259 28 HE1 TYR 5 1HE TYR 5 -15.283 8.777 3.545 29 HE2 TYR 5 2HE TYR 5 -16.791 6.060 6.464 30 HH TYR 5 HH TYR 5 -17.633 8.636 4.743 31 H SER 6 H SER 6 -10.525 4.454 3.279 32 HA SER 6 HA SER 6 -12.638 2.545 3.881 33 2HB SER 6 2HB SER 6 -13.026 2.261 1.433 34 HG SER 6 HG SER 6 -14.096 4.047 2.832 35 H LEU 7 H LEU 7 -12.184 0.391 2.558 36 HA LEU 7 HA LEU 7 -9.281 -0.020 2.443 37 2HB LEU 7 2HB LEU 7 -10.613 -0.894 4.518 38 HG LEU 7 HG LEU 7 -11.258 -2.956 2.416 39 1HD1 LEU 7 1HD1 LEU 7 -11.574 -4.629 4.160 40 2HD1 LEU 7 2HD1 LEU 7 -9.880 -4.089 4.098 41 3HD1 LEU 7 3HD1 LEU 7 -10.957 -3.494 5.384 42 1HD2 LEU 7 1HD2 LEU 7 -13.066 -2.523 4.694 43 2HD2 LEU 7 2HD2 LEU 7 -12.811 -1.085 3.676 44 3HD2 LEU 7 3HD2 LEU 7 -13.404 -2.597 2.947 45 H GLN 8 H GLN 8 -8.589 -0.791 0.518 46 HA GLN 8 HA GLN 8 -10.111 -2.671 -0.910 47 2HB GLN 8 2HB GLN 8 -9.951 -0.748 -2.944 48 2HG GLN 8 2HG GLN 8 -12.470 -1.102 -1.303 49 1HE2 GLN 8 1HE2 GLN 8 -12.337 -2.788 -4.178 50 2HE2 GLN 8 2HE2 GLN 8 -13.033 -1.627 -5.259 51 H MET 9 H MET 9 -8.523 -3.991 -1.676 52 HA MET 9 HA MET 9 -6.317 -2.767 -3.053 53 2HB MET 9 2HB MET 9 -4.734 -4.337 -1.664 54 2HG MET 9 2HG MET 9 -5.937 -2.196 0.102 55 1HE MET 9 1HE MET 9 -4.708 -0.944 1.335 56 2HE MET 9 2HE MET 9 -3.656 -1.933 2.376 57 3HE MET 9 3HE MET 9 -2.946 -0.699 1.308 58 H GLY 10 H GLY 10 -7.537 -5.902 -1.665 59 1HA GLY 10 1HA GLY 10 -8.361 -7.641 -3.006 60 2HA GLY 10 2HA GLY 10 -7.436 -7.045 -4.370 61 H ALA 11 H ALA 11 -5.164 -7.511 -4.550 62 HA ALA 11 HA ALA 11 -3.957 -9.109 -2.464 63 1HB ALA 11 1HB ALA 11 -4.377 -11.098 -3.417 64 2HB ALA 11 2HB ALA 11 -5.252 -10.304 -4.749 65 3HB ALA 11 3HB ALA 11 -3.495 -10.564 -4.868 66 H THR 12 H THR 12 -3.317 -8.810 -6.013 67 HA THR 12 HA THR 12 -0.667 -8.382 -5.919 68 HB THR 12 HB THR 12 -1.794 -8.604 -8.035 69 HG1 THR 12 1HG THR 12 -0.588 -6.955 -8.954 70 1HG2 THR 12 1HG2 THR 12 -3.184 -5.939 -7.448 71 2HG2 THR 12 2HG2 THR 12 -3.402 -6.960 -8.890 72 3HG2 THR 12 3HG2 THR 12 -3.987 -7.521 -7.305 73 H ALA 13 H ALA 13 -3.172 -5.807 -5.504 74 HA ALA 13 HA ALA 13 -1.665 -3.603 -5.396 75 1HB ALA 13 1HB ALA 13 -3.355 -3.371 -3.159 76 2HB ALA 13 2HB ALA 13 -3.738 -2.925 -4.840 77 3HB ALA 13 3HB ALA 13 -4.167 -4.540 -4.228 78 H ILE 14 H ILE 14 -1.907 -6.141 -2.848 79 HA ILE 14 HA ILE 14 -0.582 -4.924 -0.814 80 HB ILE 14 HB ILE 14 -0.477 -7.790 -1.751 81 2HG1 ILE 14 2HG1 ILE 14 -2.677 -6.516 -1.021 82 1HG2 ILE 14 1HG2 ILE 14 1.454 -7.266 -0.307 83 2HG2 ILE 14 2HG2 ILE 14 0.338 -6.678 0.948 84 3HG2 ILE 14 3HG2 ILE 14 0.307 -8.390 0.462 85 1HD1 ILE 14 1HD1 ILE 14 -2.171 -9.068 -1.404 86 2HD1 ILE 14 2HD1 ILE 14 -2.115 -9.148 0.373 87 3HD1 ILE 14 3HD1 ILE 14 -3.601 -8.610 -0.447 88 H LYS 15 H LYS 15 0.910 -6.775 -3.559 89 HA LYS 15 HA LYS 15 3.518 -6.536 -2.883 90 2HB LYS 15 2HB LYS 15 2.014 -6.736 -5.442 91 2HG LYS 15 2HG LYS 15 4.525 -6.881 -6.418 92 2HD LYS 15 2HD LYS 15 3.304 -4.119 -6.132 93 2HE LYS 15 2HE LYS 15 5.114 -5.531 -7.982 94 1HZ LYS 15 1HZ LYS 15 3.511 -3.776 -9.492 95 2HZ LYS 15 2HZ LYS 15 3.985 -5.299 -9.845 96 3HZ LYS 15 3HZ LYS 15 2.628 -5.048 -8.970 97 H GLN 16 H GLN 16 1.396 -4.041 -4.377 98 HA GLN 16 HA GLN 16 3.345 -2.208 -4.944 99 2HB GLN 16 2HB GLN 16 0.596 -2.313 -5.136 100 2HG GLN 16 2HG GLN 16 1.320 -0.057 -3.206 101 1HE2 GLN 16 1HE2 GLN 16 -0.481 1.205 -2.565 102 2HE2 GLN 16 2HE2 GLN 16 -1.824 1.476 -3.626 103 H VAL 17 H VAL 17 1.554 -2.821 -1.871 104 HA VAL 17 HA VAL 17 2.449 -0.635 -0.445 105 HB VAL 17 HB VAL 17 0.714 -2.468 0.083 106 1HG1 VAL 17 1HG1 VAL 17 3.035 -4.042 0.258 107 2HG1 VAL 17 2HG1 VAL 17 2.495 -3.808 1.938 108 3HG1 VAL 17 3HG1 VAL 17 1.381 -4.497 0.734 109 1HG2 VAL 17 1HG2 VAL 17 1.141 -0.542 1.526 110 2HG2 VAL 17 2HG2 VAL 17 0.884 -2.009 2.501 111 3HG2 VAL 17 3HG2 VAL 17 2.531 -1.378 2.260 112 H LYS 18 H LYS 18 4.076 -3.683 -1.330 113 HA LYS 18 HA LYS 18 6.193 -3.446 0.503 114 2HB LYS 18 2HB LYS 18 5.429 -5.148 -1.744 115 2HG LYS 18 2HG LYS 18 7.966 -5.931 -1.825 116 2HD LYS 18 2HD LYS 18 8.245 -3.942 -3.670 117 2HE LYS 18 2HE LYS 18 6.258 -6.251 -3.913 118 1HZ LYS 18 1HZ LYS 18 6.403 -4.546 -5.712 119 2HZ LYS 18 2HZ LYS 18 7.938 -5.033 -5.981 120 3HZ LYS 18 3HZ LYS 18 6.701 -6.081 -6.181 121 H LYS 19 H LYS 19 5.558 -2.105 -2.752 122 HA LYS 19 HA LYS 19 8.194 -1.185 -3.165 123 2HB LYS 19 2HB LYS 19 5.617 -1.095 -4.519 124 2HG LYS 19 2HG LYS 19 6.404 0.974 -5.883 125 2HD LYS 19 2HD LYS 19 5.562 2.466 -3.708 126 2HE LYS 19 2HE LYS 19 3.178 1.707 -4.542 127 1HZ LYS 19 1HZ LYS 19 3.439 3.086 -6.387 128 2HZ LYS 19 2HZ LYS 19 4.521 3.651 -5.302 129 3HZ LYS 19 3HZ LYS 19 5.026 2.746 -6.564 130 H LEU 20 H LEU 20 5.623 -0.194 -1.069 131 HA LEU 20 HA LEU 20 6.574 2.544 -0.948 132 2HB LEU 20 2HB LEU 20 4.106 1.404 -0.696 133 HG LEU 20 HG LEU 20 4.722 0.674 1.673 134 1HD1 LEU 20 1HD1 LEU 20 5.455 3.454 1.836 135 2HD1 LEU 20 2HD1 LEU 20 4.181 3.087 3.023 136 3HD1 LEU 20 3HD1 LEU 20 5.692 2.145 3.019 137 1HD2 LEU 20 1HD2 LEU 20 2.365 1.507 0.564 138 2HD2 LEU 20 2HD2 LEU 20 2.538 0.738 2.160 139 3HD2 LEU 20 3HD2 LEU 20 2.456 2.511 2.031 140 H PHE 21 H PHE 21 7.230 -0.543 0.449 141 HA PHE 21 HA PHE 21 7.943 0.357 3.037 142 2HB PHE 21 2HB PHE 21 9.381 -2.002 2.005 143 HD1 PHE 21 1HD PHE 21 9.970 -2.608 4.194 144 HD2 PHE 21 2HD PHE 21 5.894 -1.878 3.267 145 HE1 PHE 21 1HE PHE 21 9.300 -3.506 6.440 146 HE2 PHE 21 2HE PHE 21 5.223 -2.775 5.514 147 HZ PHE 21 HZ PHE 21 6.934 -3.579 7.073 148 H LYS 22 H LYS 22 9.443 0.557 -0.104 149 HA LYS 22 HA LYS 22 12.119 0.370 0.545 150 2HB LYS 22 2HB LYS 22 10.744 0.760 -1.725 151 2HG LYS 22 2HG LYS 22 11.717 3.068 -2.535 152 2HD LYS 22 2HD LYS 22 9.232 2.528 -0.924 153 2HE LYS 22 2HE LYS 22 10.453 5.091 -0.866 154 1HZ LYS 22 1HZ LYS 22 8.717 4.768 -3.099 155 2HZ LYS 22 2HZ LYS 22 8.252 5.977 -2.105 156 3HZ LYS 22 3HZ LYS 22 9.751 5.983 -2.754 157 H LYS 23 H LYS 23 9.732 2.690 1.542 158 HA LYS 23 HA LYS 23 11.825 4.603 2.258 159 2HB LYS 23 2HB LYS 23 9.942 5.508 1.003 160 2HG LYS 23 2HG LYS 23 8.408 3.837 2.860 161 2HD LYS 23 2HD LYS 23 7.862 6.816 2.757 162 2HE LYS 23 2HE LYS 23 5.750 4.704 3.376 163 1HZ LYS 23 1HZ LYS 23 5.508 7.575 2.818 164 2HZ LYS 23 2HZ LYS 23 4.339 6.573 3.359 165 3HZ LYS 23 3HZ LYS 23 5.596 6.960 4.328 166 H TRP 24 H TRP 24 9.689 2.120 3.508 167 HA TRP 24 HA TRP 24 9.832 3.076 6.217 168 2HB TRP 24 2HB TRP 24 8.776 0.802 6.661 169 HD1 TRP 24 HD TRP 24 8.052 4.143 5.309 170 HE1 TRP 24 1HE TRP 24 5.492 4.778 5.338 171 HE3 TRP 24 3HE TRP 24 6.351 -0.578 6.133 172 HZ2 TRP 24 2HZ TRP 24 3.095 3.269 5.695 173 HZ3 TRP 24 3HZ TRP 24 3.887 -0.910 6.309 174 HH2 TRP 24 HH TRP 24 2.279 0.919 6.104 175 H GLY 25 H GLY 25 11.802 2.997 7.227 176 1HA GLY 25 1HA GLY 25 13.226 0.442 7.218 177 2HA GLY 25 2HA GLY 25 14.089 1.846 6.619 178 H TRP 26 H TRP 26 13.195 0.053 9.406 179 HA TRP 26 HA TRP 26 13.654 2.323 11.189 180 2HB TRP 26 2HB TRP 26 13.186 0.004 12.687 181 HD1 TRP 26 HD TRP 26 10.620 2.382 10.918 182 HE1 TRP 26 1HE TRP 26 9.319 3.821 12.708 183 HE3 TRP 26 3HE TRP 26 13.110 0.564 14.962 184 HZ2 TRP 26 2HZ TRP 26 9.474 4.032 15.549 185 HZ3 TRP 26 3HZ TRP 26 12.475 1.440 17.207 186 HH2 TRP 26 HH TRP 26 10.725 3.115 17.537 Start of MODEL 10 1 1H LYS 1 H LYS 1 -8.903 11.158 -0.971 2 HA LYS 1 HA LYS 1 -7.913 12.990 0.259 3 2HB LYS 1 2HB LYS 1 -10.726 13.025 1.224 4 2HG LYS 1 2HG LYS 1 -8.819 14.934 0.723 5 2HD LYS 1 2HD LYS 1 -10.642 14.918 -1.725 6 2HE LYS 1 2HE LYS 1 -8.085 16.498 -1.420 7 1HZ LYS 1 1HZ LYS 1 -8.921 17.033 -3.390 8 2HZ LYS 1 2HZ LYS 1 -10.418 16.466 -3.064 9 3HZ LYS 1 3HZ LYS 1 -9.988 17.964 -2.577 10 H SER 2 H SER 2 -8.433 14.234 2.502 11 HA SER 2 HA SER 2 -8.204 14.293 4.664 12 2HB SER 2 2HB SER 2 -8.936 12.439 6.107 13 HG SER 2 HG SER 2 -10.451 13.306 3.917 14 H SER 3 H SER 3 -7.042 10.996 3.624 15 HA SER 3 HA SER 3 -4.385 11.629 3.717 16 2HB SER 3 2HB SER 3 -4.488 11.986 6.091 17 HG SER 3 HG SER 3 -6.512 10.813 6.470 18 H ALA 4 H ALA 4 -6.524 8.971 5.005 19 HA ALA 4 HA ALA 4 -6.759 6.851 4.420 20 1HB ALA 4 1HB ALA 4 -7.494 7.518 2.280 21 2HB ALA 4 2HB ALA 4 -5.870 8.057 1.789 22 3HB ALA 4 3HB ALA 4 -6.224 6.319 1.935 23 H TYR 5 H TYR 5 -5.599 4.873 4.494 24 HA TYR 5 HA TYR 5 -2.899 4.657 3.761 25 2HB TYR 5 2HB TYR 5 -2.830 6.236 5.807 26 HD1 TYR 5 1HD TYR 5 -2.088 3.763 8.094 27 HD2 TYR 5 2HD TYR 5 -5.469 5.860 6.520 28 HE1 TYR 5 1HE TYR 5 -3.402 3.247 10.208 29 HE2 TYR 5 2HE TYR 5 -6.772 5.337 8.639 30 HH TYR 5 HH TYR 5 -6.740 3.644 10.396 31 H SER 6 H SER 6 -4.769 2.976 3.016 32 HA SER 6 HA SER 6 -4.220 0.666 4.653 33 2HB SER 6 2HB SER 6 -6.741 0.006 4.245 34 HG SER 6 HG SER 6 -5.594 1.678 6.228 35 H LEU 7 H LEU 7 -5.773 2.062 1.696 36 HA LEU 7 HA LEU 7 -6.017 1.263 -0.361 37 2HB LEU 7 2HB LEU 7 -3.616 -0.073 -0.853 38 HG LEU 7 HG LEU 7 -4.826 2.261 -1.749 39 1HD1 LEU 7 1HD1 LEU 7 -2.883 3.898 -1.680 40 2HD1 LEU 7 2HD1 LEU 7 -3.826 3.712 -0.182 41 3HD1 LEU 7 3HD1 LEU 7 -2.238 2.923 -0.339 42 1HD2 LEU 7 1HD2 LEU 7 -3.739 0.738 -3.215 43 2HD2 LEU 7 2HD2 LEU 7 -2.903 2.301 -3.373 44 3HD2 LEU 7 3HD2 LEU 7 -2.165 0.989 -2.422 45 H GLN 8 H GLN 8 -7.719 -0.204 -0.197 46 HA GLN 8 HA GLN 8 -6.881 -2.938 -0.444 47 2HB GLN 8 2HB GLN 8 -9.044 -3.262 1.271 48 2HG GLN 8 2HG GLN 8 -6.048 -3.201 1.858 49 1HE2 GLN 8 1HE2 GLN 8 -7.961 -5.807 2.855 50 2HE2 GLN 8 2HE2 GLN 8 -8.069 -5.464 4.550 51 H MET 9 H MET 9 -8.233 -4.096 -1.838 52 HA MET 9 HA MET 9 -10.904 -3.355 -2.246 53 2HB MET 9 2HB MET 9 -9.828 -1.473 -3.490 54 2HG MET 9 2HG MET 9 -8.607 -3.576 -5.327 55 1HE MET 9 1HE MET 9 -6.680 -1.532 -7.541 56 2HE MET 9 2HE MET 9 -7.303 -3.091 -6.952 57 3HE MET 9 3HE MET 9 -8.344 -2.030 -7.930 58 H GLY 10 H GLY 10 -7.920 -4.909 -3.525 59 1HA GLY 10 1HA GLY 10 -9.596 -7.142 -4.506 60 2HA GLY 10 2HA GLY 10 -8.068 -6.651 -5.210 61 H ALA 11 H ALA 11 -6.055 -7.045 -4.052 62 HA ALA 11 HA ALA 11 -5.824 -8.103 -1.538 63 1HB ALA 11 1HB ALA 11 -5.405 -10.551 -2.981 64 2HB ALA 11 2HB ALA 11 -6.527 -10.232 -1.636 65 3HB ALA 11 3HB ALA 11 -7.056 -9.975 -3.316 66 H THR 12 H THR 12 -4.749 -8.746 -4.947 67 HA THR 12 HA THR 12 -2.028 -9.036 -4.231 68 HB THR 12 HB THR 12 -1.722 -9.153 -6.634 69 HG1 THR 12 1HG THR 12 -4.398 -7.960 -6.743 70 1HG2 THR 12 1HG2 THR 12 -3.932 -10.530 -5.414 71 2HG2 THR 12 2HG2 THR 12 -4.485 -9.965 -7.009 72 3HG2 THR 12 3HG2 THR 12 -3.043 -11.001 -6.882 73 H ALA 13 H ALA 13 -3.977 -6.253 -5.448 74 HA ALA 13 HA ALA 13 -2.038 -4.444 -5.921 75 1HB ALA 13 1HB ALA 13 -4.130 -3.590 -6.308 76 2HB ALA 13 2HB ALA 13 -4.829 -4.350 -4.858 77 3HB ALA 13 3HB ALA 13 -3.859 -2.864 -4.706 78 H ILE 14 H ILE 14 -3.300 -5.490 -2.707 79 HA ILE 14 HA ILE 14 -2.098 -3.671 -1.092 80 HB ILE 14 HB ILE 14 -2.494 -6.636 -0.700 81 2HG1 ILE 14 2HG1 ILE 14 -4.466 -5.030 -1.185 82 1HG2 ILE 14 1HG2 ILE 14 -0.904 -4.976 0.871 83 2HG2 ILE 14 2HG2 ILE 14 -2.463 -5.037 1.727 84 3HG2 ILE 14 3HG2 ILE 14 -1.603 -6.545 1.335 85 1HD1 ILE 14 1HD1 ILE 14 -4.847 -6.345 1.483 86 2HD1 ILE 14 2HD1 ILE 14 -5.836 -6.462 0.007 87 3HD1 ILE 14 3HD1 ILE 14 -4.320 -7.385 0.137 88 H LYS 15 H LYS 15 -0.621 -6.726 -2.382 89 HA LYS 15 HA LYS 15 1.815 -6.562 -1.209 90 2HB LYS 15 2HB LYS 15 0.647 -7.859 -3.524 91 2HG LYS 15 2HG LYS 15 3.063 -8.355 -4.438 92 2HD LYS 15 2HD LYS 15 2.542 -5.655 -5.398 93 2HE LYS 15 2HE LYS 15 3.408 -7.707 -6.677 94 1HZ LYS 15 1HZ LYS 15 1.805 -9.286 -6.002 95 2HZ LYS 15 2HZ LYS 15 0.553 -8.372 -6.517 96 3HZ LYS 15 3HZ LYS 15 1.578 -9.037 -7.600 97 H GLN 16 H GLN 16 0.632 -4.762 -4.099 98 HA GLN 16 HA GLN 16 3.024 -3.642 -4.813 99 2HB GLN 16 2HB GLN 16 1.640 -1.884 -5.913 100 2HG GLN 16 2HG GLN 16 0.022 -3.488 -7.106 101 1HE2 GLN 16 1HE2 GLN 16 0.860 -3.975 -8.998 102 2HE2 GLN 16 2HE2 GLN 16 2.530 -4.267 -9.350 103 H VAL 17 H VAL 17 0.593 -2.583 -2.368 104 HA VAL 17 HA VAL 17 1.656 -0.108 -1.780 105 HB VAL 17 HB VAL 17 -0.496 -1.329 -1.019 106 1HG1 VAL 17 1HG1 VAL 17 0.608 -1.808 1.627 107 2HG1 VAL 17 2HG1 VAL 17 -0.402 -2.860 0.607 108 3HG1 VAL 17 3HG1 VAL 17 1.367 -2.859 0.406 109 1HG2 VAL 17 1HG2 VAL 17 0.026 0.999 -0.485 110 2HG2 VAL 17 2HG2 VAL 17 -0.715 0.185 0.913 111 3HG2 VAL 17 3HG2 VAL 17 1.041 0.476 0.880 112 H LYS 18 H LYS 18 2.724 -3.387 -0.870 113 HA LYS 18 HA LYS 18 4.461 -2.588 1.188 114 2HB LYS 18 2HB LYS 18 3.771 -5.020 -0.263 115 2HG LYS 18 2HG LYS 18 6.068 -6.035 0.607 116 2HD LYS 18 2HD LYS 18 7.066 -5.160 -1.764 117 2HE LYS 18 2HE LYS 18 5.595 -6.951 -2.857 118 1HZ LYS 18 1HZ LYS 18 7.558 -7.692 -1.890 119 2HZ LYS 18 2HZ LYS 18 7.036 -7.463 -0.360 120 3HZ LYS 18 3HZ LYS 18 6.419 -8.678 -1.261 121 H LYS 19 H LYS 19 4.758 -2.804 -2.373 122 HA LYS 19 HA LYS 19 7.558 -2.457 -2.413 123 2HB LYS 19 2HB LYS 19 5.365 -2.708 -4.314 124 2HG LYS 19 2HG LYS 19 6.820 -1.578 -6.147 125 2HD LYS 19 2HD LYS 19 5.929 0.818 -5.075 126 2HE LYS 19 2HE LYS 19 4.311 -1.387 -6.439 127 1HZ LYS 19 1HZ LYS 19 2.650 0.000 -6.033 128 2HZ LYS 19 2HZ LYS 19 3.615 1.223 -5.542 129 3HZ LYS 19 3HZ LYS 19 3.324 1.002 -7.133 130 H LEU 20 H LEU 20 4.907 -0.356 -1.677 131 HA LEU 20 HA LEU 20 6.384 2.022 -2.444 132 2HB LEU 20 2HB LEU 20 3.726 1.393 -2.420 133 HG LEU 20 HG LEU 20 3.710 1.758 0.112 134 1HD1 LEU 20 1HD1 LEU 20 3.441 4.585 0.068 135 2HD1 LEU 20 2HD1 LEU 20 4.620 3.591 0.959 136 3HD1 LEU 20 3HD1 LEU 20 5.006 4.179 -0.677 137 1HD2 LEU 20 1HD2 LEU 20 1.533 2.246 -0.078 138 2HD2 LEU 20 2HD2 LEU 20 1.847 3.771 -0.942 139 3HD2 LEU 20 3HD2 LEU 20 1.839 2.229 -1.832 140 H PHE 21 H PHE 21 6.060 -0.150 0.222 141 HA PHE 21 HA PHE 21 6.435 1.733 2.299 142 2HB PHE 21 2HB PHE 21 7.515 -0.975 2.751 143 HD1 PHE 21 1HD PHE 21 3.963 0.106 2.866 144 HD2 PHE 21 2HD PHE 21 7.516 -0.629 5.066 145 HE1 PHE 21 1HE PHE 21 2.692 0.389 5.011 146 HE2 PHE 21 2HE PHE 21 6.245 -0.346 7.213 147 HZ PHE 21 HZ PHE 21 3.848 0.159 7.159 148 H LYS 22 H LYS 22 8.524 0.393 -0.134 149 HA LYS 22 HA LYS 22 10.919 0.091 1.095 150 2HB LYS 22 2HB LYS 22 10.142 -0.052 -1.421 151 2HG LYS 22 2HG LYS 22 11.549 1.870 -2.582 152 2HD LYS 22 2HD LYS 22 8.729 2.082 -1.473 153 2HE LYS 22 2HE LYS 22 9.858 4.399 -1.820 154 1HZ LYS 22 1HZ LYS 22 10.650 3.303 -4.120 155 2HZ LYS 22 2HZ LYS 22 9.340 4.142 -4.614 156 3HZ LYS 22 3HZ LYS 22 10.560 4.911 -3.848 157 H LYS 23 H LYS 23 9.032 3.037 0.701 158 HA LYS 23 HA LYS 23 11.329 4.643 1.519 159 2HB LYS 23 2HB LYS 23 10.261 5.625 -0.321 160 2HG LYS 23 2HG LYS 23 7.805 4.523 0.946 161 2HD LYS 23 2HD LYS 23 7.958 7.360 0.405 162 2HE LYS 23 2HE LYS 23 5.865 7.369 -1.118 163 1HZ LYS 23 1HZ LYS 23 8.577 7.192 -1.755 164 2HZ LYS 23 2HZ LYS 23 7.713 6.491 -2.950 165 3HZ LYS 23 3HZ LYS 23 7.405 8.035 -2.519 166 H TRP 24 H TRP 24 8.177 3.372 2.591 167 HA TRP 24 HA TRP 24 8.046 5.005 4.914 168 2HB TRP 24 2HB TRP 24 6.277 3.384 5.590 169 HD1 TRP 24 HD TRP 24 6.993 5.726 2.778 170 HE1 TRP 24 1HE TRP 24 4.813 6.760 1.710 171 HE3 TRP 24 3HE TRP 24 3.744 2.513 5.007 172 HZ2 TRP 24 2HZ TRP 24 2.037 6.133 1.914 173 HZ3 TRP 24 3HZ TRP 24 1.315 2.792 4.519 174 HH2 TRP 24 HH TRP 24 0.447 4.526 3.032 175 H GLY 25 H GLY 25 8.347 4.220 7.150 176 1HA GLY 25 1HA GLY 25 10.130 1.880 7.364 177 2HA GLY 25 2HA GLY 25 10.602 3.424 8.044 178 H TRP 26 H TRP 26 10.490 3.076 10.251 179 HA TRP 26 HA TRP 26 8.063 1.811 11.281 180 2HB TRP 26 2HB TRP 26 9.629 2.126 13.446 181 HD1 TRP 26 HD TRP 26 7.685 -0.096 11.893 182 HE1 TRP 26 1HE TRP 26 8.272 -2.666 12.018 183 HE3 TRP 26 3HE TRP 26 12.584 0.545 13.097 184 HZ2 TRP 26 2HZ TRP 26 10.665 -4.109 12.594 185 HZ3 TRP 26 3HZ TRP 26 13.976 -1.497 13.423 186 HH2 TRP 26 HH TRP 26 13.090 -3.764 13.191 Start of MODEL 11 1 1H LYS 1 H LYS 1 -9.800 13.439 2.758 2 HA LYS 1 HA LYS 1 -7.465 13.991 1.915 3 2HB LYS 1 2HB LYS 1 -7.853 16.426 2.035 4 2HG LYS 1 2HG LYS 1 -7.301 16.515 4.955 5 2HD LYS 1 2HD LYS 1 -9.555 18.072 4.268 6 2HE LYS 1 2HE LYS 1 -6.903 19.359 3.882 7 1HZ LYS 1 1HZ LYS 1 -8.415 20.839 4.560 8 2HZ LYS 1 2HZ LYS 1 -9.350 19.751 5.339 9 3HZ LYS 1 3HZ LYS 1 -8.007 20.336 6.059 10 H SER 2 H SER 2 -8.323 11.862 3.099 11 HA SER 2 HA SER 2 -7.456 11.962 5.865 12 2HB SER 2 2HB SER 2 -8.630 9.494 4.591 13 HG SER 2 HG SER 2 -8.034 10.232 7.069 14 H SER 3 H SER 3 -6.137 9.975 6.629 15 HA SER 3 HA SER 3 -4.220 9.345 4.525 16 2HB SER 3 2HB SER 3 -3.582 9.112 7.471 17 HG SER 3 HG SER 3 -2.139 9.596 5.029 18 H ALA 4 H ALA 4 -5.694 7.534 3.893 19 HA ALA 4 HA ALA 4 -4.870 5.107 4.973 20 1HB ALA 4 1HB ALA 4 -7.590 4.847 5.670 21 2HB ALA 4 2HB ALA 4 -6.195 4.872 6.774 22 3HB ALA 4 3HB ALA 4 -7.060 6.381 6.401 23 H TYR 5 H TYR 5 -7.983 6.540 3.743 24 HA TYR 5 HA TYR 5 -9.290 5.829 2.059 25 2HB TYR 5 2HB TYR 5 -7.349 5.634 -0.011 26 HD1 TYR 5 1HD TYR 5 -8.520 8.351 2.308 27 HD2 TYR 5 2HD TYR 5 -8.147 6.974 -1.724 28 HE1 TYR 5 1HE TYR 5 -9.759 10.413 1.482 29 HE2 TYR 5 2HE TYR 5 -9.387 9.039 -2.537 30 HH TYR 5 HH TYR 5 -9.777 11.730 -0.738 31 H SER 6 H SER 6 -9.739 3.660 2.922 32 HA SER 6 HA SER 6 -9.865 1.497 2.793 33 2HB SER 6 2HB SER 6 -9.647 0.426 0.562 34 HG SER 6 HG SER 6 -10.667 3.067 0.063 35 H LEU 7 H LEU 7 -8.566 -0.653 2.412 36 HA LEU 7 HA LEU 7 -5.693 -0.190 2.432 37 2HB LEU 7 2HB LEU 7 -5.980 -0.044 4.710 38 HG LEU 7 HG LEU 7 -8.423 -1.464 4.376 39 1HD1 LEU 7 1HD1 LEU 7 -6.453 -2.861 6.194 40 2HD1 LEU 7 2HD1 LEU 7 -8.218 -3.014 6.365 41 3HD1 LEU 7 3HD1 LEU 7 -7.420 -3.550 4.868 42 1HD2 LEU 7 1HD2 LEU 7 -7.042 -0.043 6.644 43 2HD2 LEU 7 2HD2 LEU 7 -8.436 0.476 5.667 44 3HD2 LEU 7 3HD2 LEU 7 -8.625 -0.826 6.866 45 H GLN 8 H GLN 8 -8.409 -2.576 2.675 46 HA GLN 8 HA GLN 8 -6.882 -4.194 0.790 47 2HB GLN 8 2HB GLN 8 -8.770 -5.615 2.615 48 2HG GLN 8 2HG GLN 8 -6.140 -6.704 2.629 49 1HE2 GLN 8 1HE2 GLN 8 -6.485 -8.787 2.706 50 2HE2 GLN 8 2HE2 GLN 8 -7.836 -9.651 2.052 51 H MET 9 H MET 9 -8.036 -5.029 -0.974 52 HA MET 9 HA MET 9 -10.850 -5.131 -0.941 53 2HB MET 9 2HB MET 9 -10.740 -2.720 -1.277 54 2HG MET 9 2HG MET 9 -8.978 -2.953 -3.708 55 1HE MET 9 1HE MET 9 -6.877 -0.348 -2.563 56 2HE MET 9 2HE MET 9 -7.668 0.281 -1.098 57 3HE MET 9 3HE MET 9 -7.251 -1.445 -1.213 58 H GLY 10 H GLY 10 -7.845 -4.865 -2.932 59 1HA GLY 10 1HA GLY 10 -8.968 -6.822 -4.824 60 2HA GLY 10 2HA GLY 10 -7.615 -5.747 -5.111 61 H ALA 11 H ALA 11 -5.506 -6.292 -4.383 62 HA ALA 11 HA ALA 11 -4.730 -8.056 -2.527 63 1HB ALA 11 1HB ALA 11 -5.990 -9.462 -4.799 64 2HB ALA 11 2HB ALA 11 -4.363 -10.058 -4.390 65 3HB ALA 11 3HB ALA 11 -5.640 -10.036 -3.151 66 H THR 12 H THR 12 -4.402 -7.222 -6.016 67 HA THR 12 HA THR 12 -1.565 -7.559 -6.003 68 HB THR 12 HB THR 12 -3.199 -5.937 -7.996 69 HG1 THR 12 1HG THR 12 -4.353 -7.804 -8.266 70 1HG2 THR 12 1HG2 THR 12 -1.675 -6.847 -9.608 71 2HG2 THR 12 2HG2 THR 12 -0.635 -6.436 -8.223 72 3HG2 THR 12 3HG2 THR 12 -1.133 -8.124 -8.492 73 H ALA 13 H ALA 13 -3.790 -4.713 -5.850 74 HA ALA 13 HA ALA 13 -2.009 -2.695 -5.938 75 1HB ALA 13 1HB ALA 13 -4.624 -3.202 -4.643 76 2HB ALA 13 2HB ALA 13 -3.691 -1.865 -3.931 77 3HB ALA 13 3HB ALA 13 -4.097 -1.843 -5.664 78 H ILE 14 H ILE 14 -2.700 -4.866 -3.142 79 HA ILE 14 HA ILE 14 -1.373 -3.646 -1.149 80 HB ILE 14 HB ILE 14 -1.661 -6.520 -1.931 81 2HG1 ILE 14 2HG1 ILE 14 -3.014 -4.576 -0.171 82 1HG2 ILE 14 1HG2 ILE 14 -0.678 -7.205 0.210 83 2HG2 ILE 14 2HG2 ILE 14 0.518 -6.418 -0.848 84 3HG2 ILE 14 3HG2 ILE 14 -0.184 -5.523 0.521 85 1HD1 ILE 14 1HD1 ILE 14 -4.821 -5.467 -1.215 86 2HD1 ILE 14 2HD1 ILE 14 -3.671 -6.343 -2.253 87 3HD1 ILE 14 3HD1 ILE 14 -4.329 -7.125 -0.795 88 H LYS 15 H LYS 15 0.155 -5.782 -3.658 89 HA LYS 15 HA LYS 15 2.728 -5.655 -2.832 90 2HB LYS 15 2HB LYS 15 1.374 -5.944 -5.466 91 2HG LYS 15 2HG LYS 15 3.916 -6.329 -6.267 92 2HD LYS 15 2HD LYS 15 2.954 -3.458 -6.227 93 2HE LYS 15 2HE LYS 15 4.308 -5.340 -8.188 94 1HZ LYS 15 1HZ LYS 15 2.959 -2.803 -8.808 95 2HZ LYS 15 2HZ LYS 15 3.952 -3.608 -9.823 96 3HZ LYS 15 3HZ LYS 15 2.532 -4.275 -9.371 97 H GLN 16 H GLN 16 0.877 -3.154 -4.647 98 HA GLN 16 HA GLN 16 2.977 -1.493 -5.202 99 2HB GLN 16 2HB GLN 16 0.269 -1.444 -5.623 100 2HG GLN 16 2HG GLN 16 0.922 0.868 -3.733 101 1HE2 GLN 16 1HE2 GLN 16 0.311 2.337 -5.359 102 2HE2 GLN 16 2HE2 GLN 16 -1.342 2.561 -5.823 103 H VAL 17 H VAL 17 0.946 -1.756 -2.231 104 HA VAL 17 HA VAL 17 1.878 0.472 -0.903 105 HB VAL 17 HB VAL 17 0.009 -1.228 -0.371 106 1HG1 VAL 17 1HG1 VAL 17 0.517 -3.226 0.491 107 2HG1 VAL 17 2HG1 VAL 17 2.219 -2.897 0.085 108 3HG1 VAL 17 3HG1 VAL 17 1.596 -2.497 1.704 109 1HG2 VAL 17 1HG2 VAL 17 0.482 0.798 0.944 110 2HG2 VAL 17 2HG2 VAL 17 0.006 -0.563 1.989 111 3HG2 VAL 17 3HG2 VAL 17 1.718 -0.090 1.869 112 H LYS 18 H LYS 18 3.373 -2.720 -1.447 113 HA LYS 18 HA LYS 18 5.379 -2.457 0.503 114 2HB LYS 18 2HB LYS 18 4.659 -4.285 -1.657 115 2HG LYS 18 2HG LYS 18 7.149 -5.206 -1.510 116 2HD LYS 18 2HD LYS 18 7.655 -3.391 -3.479 117 2HE LYS 18 2HE LYS 18 5.555 -5.604 -3.675 118 1HZ LYS 18 1HZ LYS 18 7.421 -4.608 -5.707 119 2HZ LYS 18 2HZ LYS 18 6.185 -5.655 -5.918 120 3HZ LYS 18 3HZ LYS 18 5.878 -4.085 -5.591 121 H LYS 19 H LYS 19 5.044 -1.354 -2.886 122 HA LYS 19 HA LYS 19 7.748 -0.613 -3.185 123 2HB LYS 19 2HB LYS 19 5.269 -0.476 -4.708 124 2HG LYS 19 2HG LYS 19 6.266 1.437 -6.161 125 2HD LYS 19 2HD LYS 19 5.384 3.132 -4.160 126 2HE LYS 19 2HE LYS 19 3.016 2.461 -5.096 127 1HZ LYS 19 1HZ LYS 19 3.800 3.335 -7.334 128 2HZ LYS 19 2HZ LYS 19 3.999 4.299 -6.031 129 3HZ LYS 19 3HZ LYS 19 5.272 3.480 -6.642 130 H LEU 20 H LEU 20 5.117 0.684 -1.344 131 HA LEU 20 HA LEU 20 6.240 3.360 -1.350 132 2HB LEU 20 2HB LEU 20 3.685 2.392 -1.194 133 HG LEU 20 HG LEU 20 4.060 1.829 1.254 134 1HD1 LEU 20 1HD1 LEU 20 5.084 3.302 2.555 135 2HD1 LEU 20 2HD1 LEU 20 5.067 4.523 1.261 136 3HD1 LEU 20 3HD1 LEU 20 3.686 4.389 2.376 137 1HD2 LEU 20 1HD2 LEU 20 1.872 2.849 -0.077 138 2HD2 LEU 20 2HD2 LEU 20 1.865 2.110 1.542 139 3HD2 LEU 20 3HD2 LEU 20 1.974 3.878 1.372 140 H PHE 21 H PHE 21 6.537 0.348 0.332 141 HA PHE 21 HA PHE 21 7.118 1.368 2.893 142 2HB PHE 21 2HB PHE 21 8.527 -1.103 2.090 143 HD1 PHE 21 1HD PHE 21 8.954 -1.654 4.323 144 HD2 PHE 21 2HD PHE 21 4.986 -0.716 3.146 145 HE1 PHE 21 1HE PHE 21 8.113 -2.395 6.569 146 HE2 PHE 21 2HE PHE 21 4.145 -1.458 5.391 147 HZ PHE 21 HZ PHE 21 5.718 -2.288 7.076 148 H LYS 22 H LYS 22 8.855 1.412 -0.110 149 HA LYS 22 HA LYS 22 11.450 1.054 0.559 150 2HB LYS 22 2HB LYS 22 10.301 1.737 -1.673 151 2HG LYS 22 2HG LYS 22 10.975 4.198 -2.163 152 2HD LYS 22 2HD LYS 22 8.603 3.268 -0.547 153 2HE LYS 22 2HE LYS 22 9.568 6.062 -0.722 154 1HZ LYS 22 1HZ LYS 22 6.757 5.519 -1.353 155 2HZ LYS 22 2HZ LYS 22 7.507 6.969 -1.308 156 3HZ LYS 22 3HZ LYS 22 7.856 5.905 -2.497 157 H LYS 23 H LYS 23 9.373 3.907 1.266 158 HA LYS 23 HA LYS 23 11.576 5.289 2.496 159 2HB LYS 23 2HB LYS 23 9.798 6.454 1.206 160 2HG LYS 23 2HG LYS 23 8.021 6.021 3.632 161 2HD LYS 23 2HD LYS 23 6.776 6.419 1.010 162 2HE LYS 23 2HE LYS 23 6.783 7.868 3.690 163 1HZ LYS 23 1HZ LYS 23 5.748 9.547 2.744 164 2HZ LYS 23 2HZ LYS 23 6.129 8.960 1.269 165 3HZ LYS 23 3HZ LYS 23 4.699 8.576 1.956 166 H TRP 24 H TRP 24 8.545 3.604 3.523 167 HA TRP 24 HA TRP 24 8.784 4.091 6.236 168 2HB TRP 24 2HB TRP 24 7.402 2.019 6.476 169 HD1 TRP 24 HD TRP 24 7.200 5.405 5.328 170 HE1 TRP 24 1HE TRP 24 4.765 6.286 4.817 171 HE3 TRP 24 3HE TRP 24 5.020 0.816 5.103 172 HZ2 TRP 24 2HZ TRP 24 2.258 4.994 4.386 173 HZ3 TRP 24 3HZ TRP 24 2.575 0.714 4.632 174 HH2 TRP 24 HH TRP 24 1.202 2.706 4.280 175 H GLY 25 H GLY 25 9.692 2.795 7.969 176 1HA GLY 25 1HA GLY 25 12.072 1.303 7.102 177 2HA GLY 25 2HA GLY 25 11.801 2.037 8.670 178 H TRP 26 H TRP 26 10.705 0.900 10.311 179 HA TRP 26 HA TRP 26 9.625 -1.717 9.554 180 2HB TRP 26 2HB TRP 26 10.752 -2.317 11.924 181 HD1 TRP 26 HD TRP 26 12.613 -1.802 8.507 182 HE1 TRP 26 1HE TRP 26 13.442 -4.120 7.559 183 HE3 TRP 26 3HE TRP 26 10.734 -4.620 12.299 184 HZ2 TRP 26 2HZ TRP 26 13.225 -6.812 8.480 185 HZ3 TRP 26 3HZ TRP 26 11.086 -7.085 12.199 186 HH2 TRP 26 HH TRP 26 12.283 -8.186 10.374 Start of MODEL 12 1 1H LYS 1 H LYS 1 -1.326 8.251 5.350 2 HA LYS 1 HA LYS 1 -1.875 5.505 5.958 3 2HB LYS 1 2HB LYS 1 -1.514 6.751 8.520 4 2HG LYS 1 2HG LYS 1 0.369 4.763 8.345 5 2HD LYS 1 2HD LYS 1 -2.355 5.029 9.255 6 2HE LYS 1 2HE LYS 1 -2.968 2.570 9.106 7 1HZ LYS 1 1HZ LYS 1 -2.943 3.183 6.374 8 2HZ LYS 1 2HZ LYS 1 -4.204 3.190 7.412 9 3HZ LYS 1 3HZ LYS 1 -3.293 4.532 7.224 10 H SER 2 H SER 2 -2.320 8.819 7.396 11 HA SER 2 HA SER 2 -4.780 8.589 8.320 12 2HB SER 2 2HB SER 2 -3.961 10.982 6.624 13 HG SER 2 HG SER 2 -6.063 10.558 8.189 14 H SER 3 H SER 3 -4.032 9.554 4.886 15 HA SER 3 HA SER 3 -6.709 9.457 4.107 16 2HB SER 3 2HB SER 3 -5.235 10.770 2.776 17 HG SER 3 HG SER 3 -3.666 8.500 1.998 18 H ALA 4 H ALA 4 -7.957 7.627 4.011 19 HA ALA 4 HA ALA 4 -6.604 5.145 3.203 20 1HB ALA 4 1HB ALA 4 -8.374 4.004 4.554 21 2HB ALA 4 2HB ALA 4 -7.320 5.055 5.530 22 3HB ALA 4 3HB ALA 4 -8.954 5.602 5.083 23 H TYR 5 H TYR 5 -7.078 4.703 1.107 24 HA TYR 5 HA TYR 5 -9.881 4.987 0.305 25 2HB TYR 5 2HB TYR 5 -9.022 5.983 -1.833 26 HD1 TYR 5 1HD TYR 5 -6.451 7.892 -1.195 27 HD2 TYR 5 2HD TYR 5 -10.263 7.153 0.601 28 HE1 TYR 5 1HE TYR 5 -6.436 10.226 -0.185 29 HE2 TYR 5 2HE TYR 5 -10.234 9.489 1.605 30 HH TYR 5 HH TYR 5 -7.864 11.175 2.173 31 H SER 6 H SER 6 -8.870 2.576 1.166 32 HA SER 6 HA SER 6 -7.549 1.138 -0.810 33 2HB SER 6 2HB SER 6 -7.484 0.198 1.350 34 HG SER 6 HG SER 6 -9.125 0.246 2.752 35 H LEU 7 H LEU 7 -8.370 -0.440 -2.348 36 HA LEU 7 HA LEU 7 -11.110 0.175 -3.171 37 2HB LEU 7 2HB LEU 7 -8.593 -0.521 -4.568 38 HG LEU 7 HG LEU 7 -9.879 -2.376 -5.398 39 1HD1 LEU 7 1HD1 LEU 7 -12.097 -2.430 -5.651 40 2HD1 LEU 7 2HD1 LEU 7 -12.110 -0.889 -4.759 41 3HD1 LEU 7 3HD1 LEU 7 -12.126 -0.887 -6.539 42 1HD2 LEU 7 1HD2 LEU 7 -10.400 -1.345 -7.814 43 2HD2 LEU 7 2HD2 LEU 7 -9.440 -0.008 -7.138 44 3HD2 LEU 7 3HD2 LEU 7 -8.750 -1.646 -7.221 45 H GLN 8 H GLN 8 -8.803 -2.569 -2.646 46 HA GLN 8 HA GLN 8 -11.176 -4.199 -2.174 47 2HB GLN 8 2HB GLN 8 -8.573 -5.050 -3.519 48 2HG GLN 8 2HG GLN 8 -10.404 -6.614 -2.012 49 1HE2 GLN 8 1HE2 GLN 8 -12.490 -6.079 -2.942 50 2HE2 GLN 8 2HE2 GLN 8 -13.094 -6.974 -4.295 51 H MET 9 H MET 9 -8.160 -5.845 -1.870 52 HA MET 9 HA MET 9 -7.266 -4.986 0.571 53 2HB MET 9 2HB MET 9 -9.520 -5.709 1.406 54 2HG MET 9 2HG MET 9 -8.657 -8.432 0.317 55 1HE MET 9 1HE MET 9 -12.750 -8.946 1.356 56 2HE MET 9 2HE MET 9 -11.836 -8.462 -0.093 57 3HE MET 9 3HE MET 9 -11.628 -10.094 0.587 58 H GLY 10 H GLY 10 -7.914 -7.690 -1.667 59 1HA GLY 10 1HA GLY 10 -5.285 -8.844 -0.949 60 2HA GLY 10 2HA GLY 10 -6.657 -9.766 -1.534 61 H ALA 11 H ALA 11 -5.432 -6.559 -2.686 62 HA ALA 11 HA ALA 11 -4.103 -7.602 -4.936 63 1HB ALA 11 1HB ALA 11 -5.692 -7.703 -6.539 64 2HB ALA 11 2HB ALA 11 -6.864 -7.735 -5.201 65 3HB ALA 11 3HB ALA 11 -6.458 -6.193 -5.992 66 H THR 12 H THR 12 -6.204 -4.852 -3.825 67 HA THR 12 HA THR 12 -4.434 -2.926 -5.003 68 HB THR 12 HB THR 12 -6.071 -1.342 -4.066 69 HG1 THR 12 1HG THR 12 -7.004 -1.996 -2.169 70 1HG2 THR 12 1HG2 THR 12 -6.855 -3.576 -5.692 71 2HG2 THR 12 2HG2 THR 12 -8.134 -3.350 -4.474 72 3HG2 THR 12 3HG2 THR 12 -7.680 -2.005 -5.547 73 H ALA 13 H ALA 13 -5.130 -4.115 -1.667 74 HA ALA 13 HA ALA 13 -3.558 -2.345 -0.285 75 1HB ALA 13 1HB ALA 13 -4.671 -5.054 0.092 76 2HB ALA 13 2HB ALA 13 -3.212 -4.732 1.059 77 3HB ALA 13 3HB ALA 13 -4.632 -3.669 1.208 78 H ILE 14 H ILE 14 -2.640 -5.198 -2.243 79 HA ILE 14 HA ILE 14 -0.102 -5.644 -1.413 80 HB ILE 14 HB ILE 14 -1.471 -5.785 -4.063 81 2HG1 ILE 14 2HG1 ILE 14 -0.677 -7.616 -1.876 82 1HG2 ILE 14 1HG2 ILE 14 0.773 -5.092 -4.670 83 2HG2 ILE 14 2HG2 ILE 14 1.475 -6.348 -3.621 84 3HG2 ILE 14 3HG2 ILE 14 0.536 -6.813 -5.059 85 1HD1 ILE 14 1HD1 ILE 14 -2.860 -8.204 -2.084 86 2HD1 ILE 14 2HD1 ILE 14 -3.023 -6.843 -3.220 87 3HD1 ILE 14 3HD1 ILE 14 -2.684 -8.478 -3.833 88 H LYS 15 H LYS 15 -1.247 -3.047 -3.652 89 HA LYS 15 HA LYS 15 1.277 -2.018 -4.215 90 2HB LYS 15 2HB LYS 15 -1.120 -1.584 -5.232 91 2HG LYS 15 2HG LYS 15 -1.833 -0.407 -3.037 92 2HD LYS 15 2HD LYS 15 0.429 1.290 -3.914 93 2HE LYS 15 2HE LYS 15 -1.647 2.622 -4.663 94 1HZ LYS 15 1HZ LYS 15 -2.119 3.378 -1.957 95 2HZ LYS 15 2HZ LYS 15 -3.187 3.111 -3.164 96 3HZ LYS 15 3HZ LYS 15 -2.611 1.856 -2.290 97 H GLN 16 H GLN 16 -1.030 -1.418 -1.523 98 HA GLN 16 HA GLN 16 0.210 0.772 -0.455 99 2HB GLN 16 2HB GLN 16 -0.904 0.127 1.668 100 2HG GLN 16 2HG GLN 16 -2.627 -0.639 -0.734 101 1HE2 GLN 16 1HE2 GLN 16 -4.785 -0.514 -0.390 102 2HE2 GLN 16 2HE2 GLN 16 -5.528 -0.322 1.163 103 H VAL 17 H VAL 17 1.208 -2.606 -0.510 104 HA VAL 17 HA VAL 17 2.800 -2.771 1.716 105 HB VAL 17 HB VAL 17 3.286 -3.892 -1.052 106 1HG1 VAL 17 1HG1 VAL 17 4.613 -5.600 0.004 107 2HG1 VAL 17 2HG1 VAL 17 5.242 -4.014 0.512 108 3HG1 VAL 17 3HG1 VAL 17 4.231 -4.968 1.623 109 1HG2 VAL 17 1HG2 VAL 17 1.044 -4.273 0.433 110 2HG2 VAL 17 2HG2 VAL 17 1.724 -5.488 -0.676 111 3HG2 VAL 17 3HG2 VAL 17 2.077 -5.576 1.067 112 H LYS 18 H LYS 18 3.499 -1.296 -1.501 113 HA LYS 18 HA LYS 18 6.191 -0.727 -0.918 114 2HB LYS 18 2HB LYS 18 4.285 -0.270 -3.068 115 2HG LYS 18 2HG LYS 18 5.851 1.688 -3.914 116 2HD LYS 18 2HD LYS 18 4.280 3.298 -2.386 117 2HE LYS 18 2HE LYS 18 2.410 2.785 -4.061 118 1HZ LYS 18 1HZ LYS 18 5.097 3.553 -4.639 119 2HZ LYS 18 2HZ LYS 18 4.273 3.038 -5.952 120 3HZ LYS 18 3HZ LYS 18 3.694 4.276 -5.058 121 H LYS 19 H LYS 19 3.099 0.897 -0.229 122 HA LYS 19 HA LYS 19 4.208 3.399 0.416 123 2HB LYS 19 2HB LYS 19 1.604 2.051 0.578 124 2HG LYS 19 2HG LYS 19 0.805 3.953 2.168 125 2HD LYS 19 2HD LYS 19 1.966 2.458 4.185 126 2HE LYS 19 2HE LYS 19 -0.041 0.829 3.677 127 1HZ LYS 19 1HZ LYS 19 -0.405 2.426 5.266 128 2HZ LYS 19 2HZ LYS 19 -0.213 3.687 4.245 129 3HZ LYS 19 3HZ LYS 19 -1.570 2.779 4.178 130 H LEU 20 H LEU 20 4.341 0.303 1.950 131 HA LEU 20 HA LEU 20 4.859 1.526 4.551 132 2HB LEU 20 2HB LEU 20 3.402 -0.659 3.877 133 HG LEU 20 HG LEU 20 5.602 -1.911 3.389 134 1HD1 LEU 20 1HD1 LEU 20 7.186 -1.699 4.944 135 2HD1 LEU 20 2HD1 LEU 20 6.036 -1.102 6.164 136 3HD1 LEU 20 3HD1 LEU 20 6.232 -2.852 5.907 137 1HD2 LEU 20 1HD2 LEU 20 4.543 -3.721 5.256 138 2HD2 LEU 20 2HD2 LEU 20 3.176 -2.700 4.745 139 3HD2 LEU 20 3HD2 LEU 20 4.139 -3.574 3.529 140 H PHE 21 H PHE 21 6.435 0.435 1.689 141 HA PHE 21 HA PHE 21 8.831 -0.435 2.991 142 2HB PHE 21 2HB PHE 21 9.310 0.254 0.269 143 HD1 PHE 21 1HD PHE 21 11.012 -1.416 0.600 144 HD2 PHE 21 2HD PHE 21 6.907 -2.450 0.897 145 HE1 PHE 21 1HE PHE 21 11.618 -3.850 0.506 146 HE2 PHE 21 2HE PHE 21 7.513 -4.884 0.804 147 HZ PHE 21 HZ PHE 21 9.862 -5.555 0.609 148 H LYS 22 H LYS 22 7.426 2.613 1.987 149 HA LYS 22 HA LYS 22 9.716 4.054 1.393 150 2HB LYS 22 2HB LYS 22 7.748 5.119 0.832 151 2HG LYS 22 2HG LYS 22 6.147 3.794 2.098 152 2HD LYS 22 2HD LYS 22 7.712 4.849 4.418 153 2HE LYS 22 2HE LYS 22 4.979 5.503 4.307 154 1HZ LYS 22 1HZ LYS 22 4.253 3.994 6.172 155 2HZ LYS 22 2HZ LYS 22 4.235 3.359 4.668 156 3HZ LYS 22 3HZ LYS 22 5.438 2.974 5.702 157 H LYS 23 H LYS 23 8.727 2.558 4.340 158 HA LYS 23 HA LYS 23 10.493 4.333 5.867 159 2HB LYS 23 2HB LYS 23 8.307 4.260 6.820 160 2HG LYS 23 2HG LYS 23 8.567 1.289 6.325 161 2HD LYS 23 2HD LYS 23 8.059 1.910 8.857 162 2HE LYS 23 2HE LYS 23 6.038 3.402 7.615 163 1HZ LYS 23 1HZ LYS 23 4.712 1.566 7.148 164 2HZ LYS 23 2HZ LYS 23 5.023 0.827 8.572 165 3HZ LYS 23 3HZ LYS 23 4.086 2.164 8.534 166 H TRP 24 H TRP 24 10.143 1.189 4.405 167 HA TRP 24 HA TRP 24 11.926 -0.180 6.150 168 2HB TRP 24 2HB TRP 24 11.981 -1.784 4.127 169 HD1 TRP 24 HD TRP 24 9.824 -0.571 6.908 170 HE1 TRP 24 1HE TRP 24 8.056 -2.358 7.708 171 HE3 TRP 24 3HE TRP 24 10.390 -3.684 2.928 172 HZ2 TRP 24 2HZ TRP 24 7.113 -4.818 6.612 173 HZ3 TRP 24 3HZ TRP 24 9.007 -5.758 2.870 174 HH2 TRP 24 HH TRP 24 7.412 -6.345 4.628 175 H GLY 25 H GLY 25 14.168 -0.444 5.955 176 1HA GLY 25 1HA GLY 25 15.457 1.303 3.955 177 2HA GLY 25 2HA GLY 25 16.116 0.863 5.519 178 H TRP 26 H TRP 26 16.943 0.458 2.513 179 HA TRP 26 HA TRP 26 17.196 -2.455 2.547 180 2HB TRP 26 2HB TRP 26 18.314 -1.237 0.213 181 HD1 TRP 26 HD TRP 26 15.071 -3.032 1.473 182 HE1 TRP 26 1HE TRP 26 14.479 -5.070 -0.095 183 HE3 TRP 26 3HE TRP 26 18.838 -2.245 -1.851 184 HZ2 TRP 26 2HZ TRP 26 15.628 -6.102 -2.496 185 HZ3 TRP 26 3HZ TRP 26 19.032 -3.814 -3.778 186 HH2 TRP 26 HH TRP 26 17.505 -5.690 -4.128 Start of MODEL 13 1 1H LYS 1 H LYS 1 -16.606 6.362 1.192 2 HA LYS 1 HA LYS 1 -16.467 9.057 0.029 3 2HB LYS 1 2HB LYS 1 -15.142 6.476 -0.834 4 2HG LYS 1 2HG LYS 1 -16.072 8.718 -2.445 5 2HD LYS 1 2HD LYS 1 -13.566 9.332 -1.621 6 2HE LYS 1 2HE LYS 1 -12.910 6.977 -2.698 7 1HZ LYS 1 1HZ LYS 1 -12.163 7.428 -4.981 8 2HZ LYS 1 2HZ LYS 1 -13.789 7.385 -4.838 9 3HZ LYS 1 3HZ LYS 1 -13.020 8.818 -4.982 10 H SER 2 H SER 2 -17.317 5.648 -0.919 11 HA SER 2 HA SER 2 -19.976 6.166 -1.306 12 2HB SER 2 2HB SER 2 -19.266 5.908 -4.079 13 HG SER 2 HG SER 2 -20.269 8.181 -4.019 14 H SER 3 H SER 3 -20.563 4.081 -0.804 15 HA SER 3 HA SER 3 -20.449 1.896 -0.648 16 2HB SER 3 2HB SER 3 -20.903 0.723 -2.739 17 HG SER 3 HG SER 3 -21.841 3.415 -3.185 18 H ALA 4 H ALA 4 -18.160 2.266 0.334 19 HA ALA 4 HA ALA 4 -16.456 0.273 -0.608 20 1HB ALA 4 1HB ALA 4 -14.755 1.391 -1.740 21 2HB ALA 4 2HB ALA 4 -16.196 2.240 -2.348 22 3HB ALA 4 3HB ALA 4 -15.204 2.976 -1.067 23 H TYR 5 H TYR 5 -14.475 0.130 0.762 24 HA TYR 5 HA TYR 5 -14.906 1.598 3.275 25 2HB TYR 5 2HB TYR 5 -13.319 -0.592 3.845 26 HD1 TYR 5 1HD TYR 5 -14.259 -1.488 5.761 27 HD2 TYR 5 2HD TYR 5 -16.833 -0.408 2.519 28 HE1 TYR 5 1HE TYR 5 -16.286 -2.167 7.135 29 HE2 TYR 5 2HE TYR 5 -18.853 -1.091 3.905 30 HH TYR 5 HH TYR 5 -19.019 -2.939 6.053 31 H SER 6 H SER 6 -12.927 1.422 0.530 32 HA SER 6 HA SER 6 -11.101 3.203 1.514 33 2HB SER 6 2HB SER 6 -9.579 0.646 1.171 34 HG SER 6 HG SER 6 -9.357 3.102 2.617 35 H LEU 7 H LEU 7 -9.129 3.394 -0.092 36 HA LEU 7 HA LEU 7 -9.983 3.732 -2.609 37 2HB LEU 7 2HB LEU 7 -7.898 4.593 -1.866 38 HG LEU 7 HG LEU 7 -7.044 1.725 -1.570 39 1HD1 LEU 7 1HD1 LEU 7 -5.056 3.978 -1.876 40 2HD1 LEU 7 2HD1 LEU 7 -4.753 2.224 -1.802 41 3HD1 LEU 7 3HD1 LEU 7 -5.541 2.932 -3.232 42 1HD2 LEU 7 1HD2 LEU 7 -7.331 2.379 0.553 43 2HD2 LEU 7 2HD2 LEU 7 -5.768 3.203 0.341 44 3HD2 LEU 7 3HD2 LEU 7 -7.286 4.109 0.136 45 H GLN 8 H GLN 8 -8.647 0.683 -1.211 46 HA GLN 8 HA GLN 8 -9.990 -0.701 -3.365 47 2HB GLN 8 2HB GLN 8 -7.822 -2.239 -3.392 48 2HG GLN 8 2HG GLN 8 -8.823 -0.700 -5.249 49 1HE2 GLN 8 1HE2 GLN 8 -7.827 0.956 -6.758 50 2HE2 GLN 8 2HE2 GLN 8 -7.283 2.444 -6.058 51 H MET 9 H MET 9 -7.589 -2.431 -1.492 52 HA MET 9 HA MET 9 -8.803 -2.872 0.866 53 2HB MET 9 2HB MET 9 -10.835 -3.697 -0.127 54 2HG MET 9 2HG MET 9 -9.016 -5.234 -2.041 55 1HE MET 9 1HE MET 9 -10.450 -6.568 -4.158 56 2HE MET 9 2HE MET 9 -9.538 -7.312 -2.823 57 3HE MET 9 3HE MET 9 -11.139 -7.948 -3.270 58 H GLY 10 H GLY 10 -7.254 -4.400 -1.986 59 1HA GLY 10 1HA GLY 10 -5.060 -5.300 -0.353 60 2HA GLY 10 2HA GLY 10 -6.062 -6.609 -0.947 61 H ALA 11 H ALA 11 -4.896 -3.450 -2.337 62 HA ALA 11 HA ALA 11 -3.455 -4.920 -4.374 63 1HB ALA 11 1HB ALA 11 -5.480 -4.846 -5.554 64 2HB ALA 11 2HB ALA 11 -5.929 -3.261 -4.879 65 3HB ALA 11 3HB ALA 11 -4.649 -3.374 -6.111 66 H THR 12 H THR 12 -4.512 -1.629 -4.982 67 HA THR 12 HA THR 12 -2.084 -0.511 -5.262 68 HB THR 12 HB THR 12 -3.270 1.639 -4.814 69 HG1 THR 12 1HG THR 12 -5.111 -0.330 -3.662 70 1HG2 THR 12 1HG2 THR 12 -4.013 -0.090 -6.782 71 2HG2 THR 12 2HG2 THR 12 -5.522 -0.073 -5.840 72 3HG2 THR 12 3HG2 THR 12 -4.869 1.445 -6.501 73 H ALA 13 H ALA 13 -3.876 -0.739 -2.125 74 HA ALA 13 HA ALA 13 -2.255 0.623 -0.493 75 1HB ALA 13 1HB ALA 13 -4.105 -1.601 -0.294 76 2HB ALA 13 2HB ALA 13 -2.773 -1.804 0.868 77 3HB ALA 13 3HB ALA 13 -3.754 -0.319 0.890 78 H ILE 14 H ILE 14 -1.604 -2.608 -1.937 79 HA ILE 14 HA ILE 14 0.579 -3.366 -0.507 80 HB ILE 14 HB ILE 14 0.021 -3.645 -3.461 81 2HG1 ILE 14 2HG1 ILE 14 -1.642 -4.536 -1.723 82 1HG2 ILE 14 1HG2 ILE 14 1.576 -5.566 -3.387 83 2HG2 ILE 14 2HG2 ILE 14 2.385 -4.008 -3.093 84 3HG2 ILE 14 3HG2 ILE 14 2.040 -5.102 -1.732 85 1HD1 ILE 14 1HD1 ILE 14 -1.950 -6.641 -2.967 86 2HD1 ILE 14 2HD1 ILE 14 -1.518 -5.331 -4.093 87 3HD1 ILE 14 3HD1 ILE 14 -0.292 -6.527 -3.605 88 H LYS 15 H LYS 15 0.541 -1.197 -3.419 89 HA LYS 15 HA LYS 15 3.209 -0.718 -3.615 90 2HB LYS 15 2HB LYS 15 1.146 0.112 -4.999 91 2HG LYS 15 2HG LYS 15 0.423 1.616 -3.001 92 2HD LYS 15 2HD LYS 15 3.038 2.804 -3.768 93 2HE LYS 15 2HE LYS 15 1.160 4.370 -4.734 94 1HZ LYS 15 1HZ LYS 15 0.854 5.731 -2.365 95 2HZ LYS 15 2HZ LYS 15 -0.313 5.015 -3.254 96 3HZ LYS 15 3HZ LYS 15 0.421 4.189 -2.051 97 H GLN 16 H GLN 16 0.844 0.728 -1.319 98 HA GLN 16 HA GLN 16 2.465 2.679 -0.303 99 2HB GLN 16 2HB GLN 16 0.831 1.393 1.768 100 2HG GLN 16 2HG GLN 16 0.164 3.938 0.267 101 1HE2 GLN 16 1HE2 GLN 16 1.073 2.691 3.482 102 2HE2 GLN 16 2HE2 GLN 16 -0.337 3.226 4.333 103 H VAL 17 H VAL 17 2.193 -0.808 0.599 104 HA VAL 17 HA VAL 17 3.823 -0.760 2.828 105 HB VAL 17 HB VAL 17 2.340 -2.599 1.791 106 1HG1 VAL 17 1HG1 VAL 17 3.039 -3.727 -0.004 107 2HG1 VAL 17 2HG1 VAL 17 4.351 -2.535 -0.172 108 3HG1 VAL 17 3HG1 VAL 17 4.626 -4.038 0.740 109 1HG2 VAL 17 1HG2 VAL 17 3.709 -4.382 2.916 110 2HG2 VAL 17 2HG2 VAL 17 5.011 -3.182 3.105 111 3HG2 VAL 17 3HG2 VAL 17 3.440 -2.923 3.901 112 H LYS 18 H LYS 18 4.596 -0.676 -0.653 113 HA LYS 18 HA LYS 18 7.319 -1.318 -0.380 114 2HB LYS 18 2HB LYS 18 5.482 -0.431 -2.470 115 2HG LYS 18 2HG LYS 18 7.642 0.252 -3.864 116 2HD LYS 18 2HD LYS 18 7.250 2.716 -2.813 117 2HE LYS 18 2HE LYS 18 4.857 1.474 -4.178 118 1HZ LYS 18 1HZ LYS 18 5.951 3.595 -5.509 119 2HZ LYS 18 2HZ LYS 18 4.610 3.611 -4.577 120 3HZ LYS 18 3HZ LYS 18 6.060 3.994 -3.929 121 H LYS 19 H LYS 19 5.431 1.701 -0.060 122 HA LYS 19 HA LYS 19 7.648 3.430 -0.089 123 2HB LYS 19 2HB LYS 19 4.773 3.579 0.346 124 2HG LYS 19 2HG LYS 19 5.104 5.852 1.598 125 2HD LYS 19 2HD LYS 19 5.488 4.274 3.841 126 2HE LYS 19 2HE LYS 19 2.884 3.786 3.439 127 1HZ LYS 19 1HZ LYS 19 2.509 5.796 4.418 128 2HZ LYS 19 2HZ LYS 19 4.091 5.596 4.769 129 3HZ LYS 19 3HZ LYS 19 3.645 6.593 3.556 130 H LEU 20 H LEU 20 6.454 1.123 2.229 131 HA LEU 20 HA LEU 20 7.791 2.468 4.429 132 2HB LEU 20 2HB LEU 20 5.500 0.998 4.271 133 HG LEU 20 HG LEU 20 6.897 -1.132 4.145 134 1HD1 LEU 20 1HD1 LEU 20 8.578 -1.410 5.563 135 2HD1 LEU 20 2HD1 LEU 20 8.152 0.092 6.416 136 3HD1 LEU 20 3HD1 LEU 20 7.413 -1.450 6.908 137 1HD2 LEU 20 1HD2 LEU 20 4.665 -0.475 5.950 138 2HD2 LEU 20 2HD2 LEU 20 4.827 -1.763 4.732 139 3HD2 LEU 20 3HD2 LEU 20 5.531 -1.977 6.353 140 H PHE 21 H PHE 21 8.424 0.187 1.907 141 HA PHE 21 HA PHE 21 10.301 -1.407 3.299 142 2HB PHE 21 2HB PHE 21 10.669 -0.963 0.375 143 HD1 PHE 21 1HD PHE 21 8.413 -3.383 2.044 144 HD2 PHE 21 2HD PHE 21 12.216 -2.735 0.277 145 HE1 PHE 21 1HE PHE 21 8.863 -5.851 2.111 146 HE2 PHE 21 2HE PHE 21 12.667 -5.203 0.344 147 HZ PHE 21 HZ PHE 21 10.986 -6.732 1.259 148 H LYS 22 H LYS 22 10.356 1.850 2.123 149 HA LYS 22 HA LYS 22 12.845 2.232 1.143 150 2HB LYS 22 2HB LYS 22 10.885 3.876 1.670 151 2HG LYS 22 2HG LYS 22 11.695 5.407 3.607 152 2HD LYS 22 2HD LYS 22 10.346 2.715 3.949 153 2HE LYS 22 2HE LYS 22 11.581 4.281 6.076 154 1HZ LYS 22 1HZ LYS 22 8.885 4.779 5.716 155 2HZ LYS 22 2HZ LYS 22 9.015 3.806 7.021 156 3HZ LYS 22 3HZ LYS 22 9.826 5.223 6.975 157 H LYS 23 H LYS 23 11.898 1.720 4.577 158 HA LYS 23 HA LYS 23 14.634 2.031 5.430 159 2HB LYS 23 2HB LYS 23 12.750 2.851 6.797 160 2HG LYS 23 2HG LYS 23 12.151 -0.084 7.354 161 2HD LYS 23 2HD LYS 23 9.921 1.242 8.044 162 2HE LYS 23 2HE LYS 23 12.486 0.775 9.565 163 1HZ LYS 23 1HZ LYS 23 10.097 1.988 10.760 164 2HZ LYS 23 2HZ LYS 23 11.508 1.640 11.504 165 3HZ LYS 23 3HZ LYS 23 11.443 2.838 10.396 166 H TRP 24 H TRP 24 12.161 -0.632 5.363 167 HA TRP 24 HA TRP 24 13.657 -2.681 6.275 168 2HB TRP 24 2HB TRP 24 12.314 -4.121 4.704 169 HD1 TRP 24 HD TRP 24 12.000 -2.048 7.648 170 HE1 TRP 24 1HE TRP 24 9.749 -2.354 8.989 171 HE3 TRP 24 3HE TRP 24 9.489 -4.424 3.919 172 HZ2 TRP 24 2HZ TRP 24 7.226 -3.529 8.355 173 HZ3 TRP 24 3HZ TRP 24 7.135 -5.118 4.362 174 HH2 TRP 24 HH TRP 24 6.003 -4.705 6.489 175 H GLY 25 H GLY 25 15.599 -3.567 5.702 176 1HA GLY 25 1HA GLY 25 16.355 -4.116 3.054 177 2HA GLY 25 2HA GLY 25 17.106 -2.610 3.541 178 H TRP 26 H TRP 26 17.364 -6.014 3.593 179 HA TRP 26 HA TRP 26 18.724 -6.345 6.052 180 2HB TRP 26 2HB TRP 26 17.543 -8.080 4.549 181 HD1 TRP 26 HD TRP 26 19.588 -6.506 2.264 182 HE1 TRP 26 1HE TRP 26 20.648 -7.977 0.346 183 HE3 TRP 26 3HE TRP 26 18.940 -10.971 4.609 184 HZ2 TRP 26 2HZ TRP 26 21.086 -10.779 0.033 185 HZ3 TRP 26 3HZ TRP 26 19.711 -13.026 3.428 186 HH2 TRP 26 HH TRP 26 20.752 -12.980 1.217 Start of MODEL 14 1 1H LYS 1 H LYS 1 -5.941 9.553 -1.214 2 HA LYS 1 HA LYS 1 -3.977 10.305 -2.078 3 2HB LYS 1 2HB LYS 1 -4.371 12.701 -0.335 4 2HG LYS 1 2HG LYS 1 -4.414 12.387 -3.365 5 2HD LYS 1 2HD LYS 1 -3.215 14.780 -2.779 6 2HE LYS 1 2HE LYS 1 -5.966 15.405 -2.719 7 1HZ LYS 1 1HZ LYS 1 -5.609 15.788 -5.029 8 2HZ LYS 1 2HZ LYS 1 -4.259 16.236 -4.226 9 3HZ LYS 1 3HZ LYS 1 -4.284 14.832 -5.059 10 H SER 2 H SER 2 -2.527 8.701 -1.108 11 HA SER 2 HA SER 2 -0.686 8.156 -0.098 12 2HB SER 2 2HB SER 2 -0.436 11.139 0.478 13 HG SER 2 HG SER 2 1.843 10.637 0.742 14 H SER 3 H SER 3 -1.171 6.863 1.655 15 HA SER 3 HA SER 3 -1.732 6.239 3.658 16 2HB SER 3 2HB SER 3 -0.836 8.844 4.883 17 HG SER 3 HG SER 3 0.303 7.334 6.272 18 H ALA 4 H ALA 4 -3.978 6.110 3.751 19 HA ALA 4 HA ALA 4 -5.315 8.424 4.929 20 1HB ALA 4 1HB ALA 4 -7.184 8.176 3.333 21 2HB ALA 4 2HB ALA 4 -5.667 8.570 2.490 22 3HB ALA 4 3HB ALA 4 -6.285 6.902 2.476 23 H TYR 5 H TYR 5 -6.401 5.253 3.549 24 HA TYR 5 HA TYR 5 -6.493 3.930 6.023 25 2HB TYR 5 2HB TYR 5 -9.252 4.044 5.612 26 HD1 TYR 5 1HD TYR 5 -8.912 7.329 6.668 27 HD2 TYR 5 2HD TYR 5 -8.022 3.347 7.954 28 HE1 TYR 5 1HE TYR 5 -8.874 8.111 9.086 29 HE2 TYR 5 2HE TYR 5 -7.986 4.143 10.369 30 HH TYR 5 HH TYR 5 -9.128 6.119 11.628 31 H SER 6 H SER 6 -5.682 3.506 3.230 32 HA SER 6 HA SER 6 -7.330 2.229 1.610 33 2HB SER 6 2HB SER 6 -5.035 2.411 0.991 34 HG SER 6 HG SER 6 -3.680 0.619 2.388 35 H LEU 7 H LEU 7 -8.416 0.233 1.448 36 HA LEU 7 HA LEU 7 -8.628 -1.223 3.945 37 2HB LEU 7 2HB LEU 7 -10.673 -0.571 2.917 38 HG LEU 7 HG LEU 7 -9.487 -1.059 0.429 39 1HD1 LEU 7 1HD1 LEU 7 -11.168 -3.341 1.245 40 2HD1 LEU 7 2HD1 LEU 7 -11.568 -2.634 -0.340 41 3HD1 LEU 7 3HD1 LEU 7 -9.917 -3.217 -0.016 42 1HD2 LEU 7 1HD2 LEU 7 -11.372 0.541 1.299 43 2HD2 LEU 7 2HD2 LEU 7 -11.310 0.060 -0.414 44 3HD2 LEU 7 3HD2 LEU 7 -12.454 -0.736 0.694 45 H GLN 8 H GLN 8 -7.643 -1.716 0.510 46 HA GLN 8 HA GLN 8 -6.462 -3.260 -0.455 47 2HB GLN 8 2HB GLN 8 -4.957 -4.627 1.438 48 2HG GLN 8 2HG GLN 8 -4.540 -2.721 -0.566 49 1HE2 GLN 8 1HE2 GLN 8 -2.662 -1.152 -0.570 50 2HE2 GLN 8 2HE2 GLN 8 -2.655 0.087 0.640 51 H MET 9 H MET 9 -7.449 -5.016 -1.344 52 HA MET 9 HA MET 9 -7.893 -7.309 0.264 53 2HB MET 9 2HB MET 9 -10.428 -7.301 -0.585 54 2HG MET 9 2HG MET 9 -10.091 -5.261 1.577 55 1HE MET 9 1HE MET 9 -11.647 -8.597 3.575 56 2HE MET 9 2HE MET 9 -11.144 -9.376 2.056 57 3HE MET 9 3HE MET 9 -10.007 -8.326 2.937 58 H GLY 10 H GLY 10 -8.648 -5.574 -2.821 59 1HA GLY 10 1HA GLY 10 -9.199 -7.595 -4.530 60 2HA GLY 10 2HA GLY 10 -8.242 -6.191 -4.957 61 H ALA 11 H ALA 11 -5.946 -6.326 -5.081 62 HA ALA 11 HA ALA 11 -4.468 -8.490 -4.124 63 1HB ALA 11 1HB ALA 11 -6.008 -9.359 -6.187 64 2HB ALA 11 2HB ALA 11 -4.593 -8.763 -7.089 65 3HB ALA 11 3HB ALA 11 -4.388 -10.007 -5.832 66 H THR 12 H THR 12 -4.761 -6.360 -7.059 67 HA THR 12 HA THR 12 -2.015 -5.821 -7.224 68 HB THR 12 HB THR 12 -2.791 -4.058 -8.792 69 HG1 THR 12 1HG THR 12 -4.599 -3.128 -7.855 70 1HG2 THR 12 1HG2 THR 12 -4.911 -6.220 -9.026 71 2HG2 THR 12 2HG2 THR 12 -4.008 -5.400 -10.323 72 3HG2 THR 12 3HG2 THR 12 -3.204 -6.629 -9.317 73 H ALA 13 H ALA 13 -4.705 -4.007 -5.627 74 HA ALA 13 HA ALA 13 -3.458 -1.770 -4.857 75 1HB ALA 13 1HB ALA 13 -5.513 -3.566 -3.657 76 2HB ALA 13 2HB ALA 13 -4.802 -2.344 -2.574 77 3HB ALA 13 3HB ALA 13 -5.607 -1.839 -4.079 78 H ILE 14 H ILE 14 -3.123 -5.017 -3.292 79 HA ILE 14 HA ILE 14 -1.582 -4.347 -1.160 80 HB ILE 14 HB ILE 14 -1.433 -6.761 -2.964 81 2HG1 ILE 14 2HG1 ILE 14 -3.631 -6.274 -1.889 82 1HG2 ILE 14 1HG2 ILE 14 -0.195 -7.909 -1.319 83 2HG2 ILE 14 2HG2 ILE 14 0.635 -6.351 -1.547 84 3HG2 ILE 14 3HG2 ILE 14 -0.408 -6.604 -0.127 85 1HD1 ILE 14 1HD1 ILE 14 -2.364 -8.672 -0.529 86 2HD1 ILE 14 2HD1 ILE 14 -4.005 -8.509 -1.199 87 3HD1 ILE 14 3HD1 ILE 14 -2.606 -8.648 -2.293 88 H LYS 15 H LYS 15 -0.418 -5.083 -4.519 89 HA LYS 15 HA LYS 15 2.249 -4.777 -4.115 90 2HB LYS 15 2HB LYS 15 0.404 -4.692 -6.356 91 2HG LYS 15 2HG LYS 15 2.282 -3.600 -7.829 92 2HD LYS 15 2HD LYS 15 1.124 -1.315 -6.431 93 2HE LYS 15 2HE LYS 15 0.887 -2.680 -9.115 94 1HZ LYS 15 1HZ LYS 15 -0.647 -0.413 -9.142 95 2HZ LYS 15 2HZ LYS 15 -1.161 -1.949 -9.350 96 3HZ LYS 15 3HZ LYS 15 -1.187 -1.275 -7.864 97 H GLN 16 H GLN 16 -0.249 -2.215 -4.514 98 HA GLN 16 HA GLN 16 1.451 -0.086 -4.737 99 2HB GLN 16 2HB GLN 16 -0.446 1.284 -4.007 100 2HG GLN 16 2HG GLN 16 -1.633 -1.162 -5.376 101 1HE2 GLN 16 1HE2 GLN 16 -1.068 2.214 -6.261 102 2HE2 GLN 16 2HE2 GLN 16 -2.725 2.709 -6.351 103 H VAL 17 H VAL 17 0.189 -1.746 -1.789 104 HA VAL 17 HA VAL 17 1.146 0.018 0.102 105 HB VAL 17 HB VAL 17 -0.358 -2.075 0.263 106 1HG1 VAL 17 1HG1 VAL 17 2.069 -3.359 -0.319 107 2HG1 VAL 17 2HG1 VAL 17 1.779 -3.669 1.410 108 3HG1 VAL 17 3HG1 VAL 17 0.546 -4.117 0.207 109 1HG2 VAL 17 1HG2 VAL 17 1.674 -1.485 2.443 110 2HG2 VAL 17 2HG2 VAL 17 0.171 -0.581 2.143 111 3HG2 VAL 17 3HG2 VAL 17 0.097 -2.281 2.664 112 H LYS 18 H LYS 18 2.821 -2.449 -1.853 113 HA LYS 18 HA LYS 18 5.173 -2.512 -0.314 114 2HB LYS 18 2HB LYS 18 4.189 -3.588 -2.844 115 2HG LYS 18 2HG LYS 18 6.734 -4.032 -3.473 116 2HD LYS 18 2HD LYS 18 6.591 -1.612 -4.699 117 2HE LYS 18 2HE LYS 18 4.996 -2.728 -6.364 118 1HZ LYS 18 1HZ LYS 18 7.520 -3.662 -5.464 119 2HZ LYS 18 2HZ LYS 18 6.665 -4.832 -6.214 120 3HZ LYS 18 3HZ LYS 18 6.982 -3.430 -6.988 121 H LYS 19 H LYS 19 3.960 -0.394 -2.932 122 HA LYS 19 HA LYS 19 6.424 0.884 -3.405 123 2HB LYS 19 2HB LYS 19 3.657 1.090 -4.287 124 2HG LYS 19 2HG LYS 19 4.071 3.539 -5.051 125 2HD LYS 19 2HD LYS 19 3.527 4.233 -2.427 126 2HE LYS 19 2HE LYS 19 1.086 3.495 -3.095 127 1HZ LYS 19 1HZ LYS 19 2.364 5.688 -3.507 128 2HZ LYS 19 2HZ LYS 19 2.309 5.231 -5.074 129 3HZ LYS 19 3HZ LYS 19 0.924 5.433 -4.233 130 H LEU 20 H LEU 20 4.209 0.945 -0.753 131 HA LEU 20 HA LEU 20 5.117 3.594 0.066 132 2HB LEU 20 2HB LEU 20 2.664 2.413 0.157 133 HG LEU 20 HG LEU 20 3.470 0.983 2.124 134 1HD1 LEU 20 1HD1 LEU 20 3.020 2.899 4.170 135 2HD1 LEU 20 2HD1 LEU 20 4.493 1.960 3.830 136 3HD1 LEU 20 3HD1 LEU 20 4.264 3.559 3.081 137 1HD2 LEU 20 1HD2 LEU 20 1.040 1.962 1.482 138 2HD2 LEU 20 2HD2 LEU 20 1.340 0.873 2.858 139 3HD2 LEU 20 3HD2 LEU 20 1.218 2.630 3.122 140 H PHE 21 H PHE 21 5.868 0.248 0.396 141 HA PHE 21 HA PHE 21 6.713 0.190 3.057 142 2HB PHE 21 2HB PHE 21 8.296 -1.354 1.060 143 HD1 PHE 21 1HD PHE 21 9.220 -2.980 2.398 144 HD2 PHE 21 2HD PHE 21 5.159 -1.914 3.018 145 HE1 PHE 21 1HE PHE 21 9.026 -4.746 4.171 146 HE2 PHE 21 2HE PHE 21 4.966 -3.680 4.791 147 HZ PHE 21 HZ PHE 21 6.902 -5.075 5.346 148 H LYS 22 H LYS 22 8.024 1.784 0.248 149 HA LYS 22 HA LYS 22 10.746 1.695 0.980 150 2HB LYS 22 2HB LYS 22 10.504 2.210 -1.231 151 2HG LYS 22 2HG LYS 22 8.100 2.460 -1.361 152 2HD LYS 22 2HD LYS 22 7.809 3.689 0.812 153 2HE LYS 22 2HE LYS 22 9.408 5.421 0.866 154 1HZ LYS 22 1HZ LYS 22 8.610 5.901 -1.907 155 2HZ LYS 22 2HZ LYS 22 9.452 7.016 -1.062 156 3HZ LYS 22 3HZ LYS 22 10.093 5.538 -1.328 157 H LYS 23 H LYS 23 8.101 3.022 2.570 158 HA LYS 23 HA LYS 23 9.814 5.080 3.780 159 2HB LYS 23 2HB LYS 23 7.882 5.971 2.461 160 2HG LYS 23 2HG LYS 23 6.461 3.997 4.092 161 2HD LYS 23 2HD LYS 23 6.112 6.242 5.399 162 2HE LYS 23 2HE LYS 23 5.588 7.296 2.938 163 1HZ LYS 23 1HZ LYS 23 3.477 7.068 2.358 164 2HZ LYS 23 2HZ LYS 23 3.424 5.765 3.341 165 3HZ LYS 23 3HZ LYS 23 2.906 7.217 3.881 166 H TRP 24 H TRP 24 7.721 2.261 4.159 167 HA TRP 24 HA TRP 24 7.620 2.535 7.029 168 2HB TRP 24 2HB TRP 24 6.651 0.120 6.689 169 HD1 TRP 24 HD TRP 24 5.896 3.726 6.744 170 HE1 TRP 24 1HE TRP 24 3.342 4.274 7.117 171 HE3 TRP 24 3HE TRP 24 4.208 -0.976 5.791 172 HZ2 TRP 24 2HZ TRP 24 0.956 2.715 6.974 173 HZ3 TRP 24 3HZ TRP 24 1.752 -1.377 5.929 174 HH2 TRP 24 HH TRP 24 0.145 0.374 6.496 175 H GLY 25 H GLY 25 8.750 1.146 8.512 176 1HA GLY 25 1HA GLY 25 10.314 -0.386 9.161 177 2HA GLY 25 2HA GLY 25 10.664 -0.766 7.486 178 H TRP 26 H TRP 26 12.972 -0.701 8.254 179 HA TRP 26 HA TRP 26 14.173 1.582 9.252 180 2HB TRP 26 2HB TRP 26 15.230 -0.599 9.248 181 HD1 TRP 26 HD TRP 26 13.456 -0.933 6.373 182 HE1 TRP 26 1HE TRP 26 14.432 -2.455 4.451 183 HE3 TRP 26 3HE TRP 26 18.268 -0.823 8.012 184 HZ2 TRP 26 2HZ TRP 26 17.048 -3.421 3.846 185 HZ3 TRP 26 3HZ TRP 26 19.971 -2.081 6.698 186 HH2 TRP 26 HH TRP 26 19.427 -3.349 4.680 Start of MODEL 15 1 1H LYS 1 H LYS 1 -9.938 5.891 5.774 2 HA LYS 1 HA LYS 1 -8.619 7.741 7.630 3 2HB LYS 1 2HB LYS 1 -7.072 7.350 5.814 4 2HG LYS 1 2HG LYS 1 -9.331 8.243 3.960 5 2HD LYS 1 2HD LYS 1 -6.426 8.079 3.682 6 2HE LYS 1 2HE LYS 1 -8.140 6.358 1.828 7 1HZ LYS 1 1HZ LYS 1 -6.725 7.154 0.327 8 2HZ LYS 1 2HZ LYS 1 -5.671 7.750 1.423 9 3HZ LYS 1 3HZ LYS 1 -5.622 6.168 1.020 10 H SER 2 H SER 2 -10.881 7.371 4.820 11 HA SER 2 HA SER 2 -12.715 9.071 6.224 12 2HB SER 2 2HB SER 2 -11.811 9.783 3.399 13 HG SER 2 HG SER 2 -13.282 11.493 5.161 14 H SER 3 H SER 3 -12.029 7.606 2.957 15 HA SER 3 HA SER 3 -14.366 5.969 3.300 16 2HB SER 3 2HB SER 3 -14.869 6.721 0.741 17 HG SER 3 HG SER 3 -16.468 8.194 1.638 18 H ALA 4 H ALA 4 -14.177 3.986 2.169 19 HA ALA 4 HA ALA 4 -11.961 3.768 0.276 20 1HB ALA 4 1HB ALA 4 -11.340 3.135 2.727 21 2HB ALA 4 2HB ALA 4 -12.355 1.700 2.448 22 3HB ALA 4 3HB ALA 4 -10.930 1.994 1.424 23 H TYR 5 H TYR 5 -12.427 0.728 0.525 24 HA TYR 5 HA TYR 5 -13.577 -0.785 -0.621 25 2HB TYR 5 2HB TYR 5 -16.250 -0.047 -0.414 26 HD1 TYR 5 1HD TYR 5 -14.947 -2.567 -0.173 27 HD2 TYR 5 2HD TYR 5 -15.905 0.212 2.934 28 HE1 TYR 5 1HE TYR 5 -14.976 -4.461 1.523 29 HE2 TYR 5 2HE TYR 5 -15.931 -1.690 4.619 30 HH TYR 5 HH TYR 5 -14.598 -4.195 4.525 31 H SER 6 H SER 6 -12.827 1.911 -1.960 32 HA SER 6 HA SER 6 -14.770 1.703 -4.125 33 2HB SER 6 2HB SER 6 -12.948 4.062 -4.040 34 HG SER 6 HG SER 6 -14.699 3.992 -5.537 35 H LEU 7 H LEU 7 -11.596 0.962 -3.106 36 HA LEU 7 HA LEU 7 -10.874 0.084 -5.709 37 2HB LEU 7 2HB LEU 7 -9.951 2.705 -4.799 38 HG LEU 7 HG LEU 7 -7.885 1.215 -4.421 39 1HD1 LEU 7 1HD1 LEU 7 -7.251 -0.174 -6.026 40 2HD1 LEU 7 2HD1 LEU 7 -8.574 0.398 -7.072 41 3HD1 LEU 7 3HD1 LEU 7 -6.991 1.209 -7.116 42 1HD2 LEU 7 1HD2 LEU 7 -6.477 2.946 -5.037 43 2HD2 LEU 7 2HD2 LEU 7 -7.402 3.319 -6.511 44 3HD2 LEU 7 3HD2 LEU 7 -8.055 3.762 -4.915 45 H GLN 8 H GLN 8 -9.417 1.137 -2.547 46 HA GLN 8 HA GLN 8 -7.719 -1.118 -2.531 47 2HB GLN 8 2HB GLN 8 -7.127 1.045 -1.453 48 2HG GLN 8 2HG GLN 8 -8.924 0.348 0.869 49 1HE2 GLN 8 1HE2 GLN 8 -9.580 3.292 -0.486 50 2HE2 GLN 8 2HE2 GLN 8 -8.486 4.309 0.390 51 H MET 9 H MET 9 -7.716 -2.818 -0.800 52 HA MET 9 HA MET 9 -9.885 -3.219 0.854 53 2HB MET 9 2HB MET 9 -11.214 -3.587 -1.188 54 2HG MET 9 2HG MET 9 -8.904 -4.328 -2.418 55 1HE MET 9 1HE MET 9 -7.956 -7.267 -3.738 56 2HE MET 9 2HE MET 9 -9.595 -7.922 -3.975 57 3HE MET 9 3HE MET 9 -9.261 -6.210 -4.329 58 H GLY 10 H GLY 10 -7.371 -4.689 -1.252 59 1HA GLY 10 1HA GLY 10 -5.954 -5.828 0.868 60 2HA GLY 10 2HA GLY 10 -7.011 -7.065 0.220 61 H ALA 11 H ALA 11 -5.249 -4.326 -1.392 62 HA ALA 11 HA ALA 11 -3.440 -6.167 -2.655 63 1HB ALA 11 1HB ALA 11 -5.890 -5.791 -3.901 64 2HB ALA 11 2HB ALA 11 -4.849 -4.591 -4.703 65 3HB ALA 11 3HB ALA 11 -4.387 -6.310 -4.703 66 H THR 12 H THR 12 -4.801 -2.956 -3.640 67 HA THR 12 HA THR 12 -2.468 -1.717 -4.215 68 HB THR 12 HB THR 12 -3.750 0.371 -3.807 69 HG1 THR 12 1HG THR 12 -5.439 -1.578 -2.399 70 1HG2 THR 12 1HG2 THR 12 -5.297 -0.071 -5.442 71 2HG2 THR 12 2HG2 THR 12 -4.686 -1.742 -5.419 72 3HG2 THR 12 3HG2 THR 12 -6.103 -1.298 -4.437 73 H ALA 13 H ALA 13 -3.963 -1.953 -0.931 74 HA ALA 13 HA ALA 13 -2.338 -0.390 0.509 75 1HB ALA 13 1HB ALA 13 -3.557 -1.406 2.096 76 2HB ALA 13 2HB ALA 13 -4.014 -2.686 0.946 77 3HB ALA 13 3HB ALA 13 -2.543 -2.860 1.933 78 H ILE 14 H ILE 14 -1.568 -3.758 -0.594 79 HA ILE 14 HA ILE 14 0.814 -4.153 0.584 80 HB ILE 14 HB ILE 14 -0.011 -4.785 -2.249 81 2HG1 ILE 14 2HG1 ILE 14 -1.232 -5.621 -0.010 82 1HG2 ILE 14 1HG2 ILE 14 2.505 -4.835 -1.762 83 2HG2 ILE 14 2HG2 ILE 14 2.145 -6.219 -0.702 84 3HG2 ILE 14 3HG2 ILE 14 1.761 -6.304 -2.438 85 1HD1 ILE 14 1HD1 ILE 14 -1.391 -6.255 -2.636 86 2HD1 ILE 14 2HD1 ILE 14 -0.711 -7.781 -2.023 87 3HD1 ILE 14 3HD1 ILE 14 -2.256 -7.174 -1.382 88 H LYS 15 H LYS 15 0.307 -2.328 -2.514 89 HA LYS 15 HA LYS 15 2.859 -1.666 -3.081 90 2HB LYS 15 2HB LYS 15 0.344 0.003 -3.332 91 2HG LYS 15 2HG LYS 15 1.745 1.058 -5.246 92 2HD LYS 15 2HD LYS 15 2.990 1.840 -2.628 93 2HE LYS 15 2HE LYS 15 1.451 3.328 -4.810 94 1HZ LYS 15 1HZ LYS 15 1.244 4.660 -3.000 95 2HZ LYS 15 2HZ LYS 15 2.617 4.145 -2.278 96 3HZ LYS 15 3HZ LYS 15 2.696 5.177 -3.541 97 H GLN 16 H GLN 16 0.713 -0.131 -0.622 98 HA GLN 16 HA GLN 16 2.378 1.938 0.036 99 2HB GLN 16 2HB GLN 16 -0.071 1.065 0.873 100 2HG GLN 16 2HG GLN 16 1.819 0.724 3.251 101 1HE2 GLN 16 1HE2 GLN 16 0.899 0.929 5.149 102 2HE2 GLN 16 2HE2 GLN 16 -0.798 1.053 5.478 103 H VAL 17 H VAL 17 2.327 -1.473 1.196 104 HA VAL 17 HA VAL 17 4.130 -1.244 3.264 105 HB VAL 17 HB VAL 17 2.676 -3.204 2.405 106 1HG1 VAL 17 1HG1 VAL 17 4.999 -4.544 1.277 107 2HG1 VAL 17 2HG1 VAL 17 3.340 -4.409 0.643 108 3HG1 VAL 17 3HG1 VAL 17 4.528 -3.127 0.308 109 1HG2 VAL 17 1HG2 VAL 17 4.067 -4.820 3.613 110 2HG2 VAL 17 2HG2 VAL 17 5.464 -3.724 3.494 111 3HG2 VAL 17 3HG2 VAL 17 4.042 -3.250 4.452 112 H LYS 18 H LYS 18 4.632 -1.294 -0.268 113 HA LYS 18 HA LYS 18 7.402 -1.765 -0.175 114 2HB LYS 18 2HB LYS 18 5.363 -1.123 -2.158 115 2HG LYS 18 2HG LYS 18 7.352 -0.356 -3.749 116 2HD LYS 18 2HD LYS 18 6.841 2.125 -2.751 117 2HE LYS 18 2HE LYS 18 4.486 1.797 -3.951 118 1HZ LYS 18 1HZ LYS 18 5.867 1.519 -6.079 119 2HZ LYS 18 2HZ LYS 18 6.076 2.859 -5.169 120 3HZ LYS 18 3HZ LYS 18 7.160 1.640 -5.089 121 H LYS 19 H LYS 19 5.363 1.169 0.077 122 HA LYS 19 HA LYS 19 7.494 2.993 -0.169 123 2HB LYS 19 2HB LYS 19 4.632 3.044 0.369 124 2HG LYS 19 2HG LYS 19 4.867 5.395 1.448 125 2HD LYS 19 2HD LYS 19 5.521 4.042 3.772 126 2HE LYS 19 2HE LYS 19 2.976 3.350 3.679 127 1HZ LYS 19 1HZ LYS 19 3.375 6.188 3.223 128 2HZ LYS 19 2HZ LYS 19 2.496 5.437 4.376 129 3HZ LYS 19 3HZ LYS 19 4.123 5.502 4.503 130 H LEU 20 H LEU 20 6.585 0.750 2.299 131 HA LEU 20 HA LEU 20 7.934 2.321 4.354 132 2HB LEU 20 2HB LEU 20 5.664 0.814 4.420 133 HG LEU 20 HG LEU 20 7.117 -1.296 4.396 134 1HD1 LEU 20 1HD1 LEU 20 7.683 -1.370 7.179 135 2HD1 LEU 20 2HD1 LEU 20 8.815 -1.464 5.808 136 3HD1 LEU 20 3HD1 LEU 20 8.409 0.117 6.519 137 1HD2 LEU 20 1HD2 LEU 20 5.489 -2.385 5.525 138 2HD2 LEU 20 2HD2 LEU 20 5.589 -1.310 6.940 139 3HD2 LEU 20 3HD2 LEU 20 4.710 -0.786 5.484 140 H PHE 21 H PHE 21 8.515 -0.100 1.971 141 HA PHE 21 HA PHE 21 10.380 -1.684 3.316 142 2HB PHE 21 2HB PHE 21 10.881 -1.076 0.441 143 HD1 PHE 21 1HD PHE 21 12.148 -2.884 -0.197 144 HD2 PHE 21 2HD PHE 21 8.836 -3.540 2.374 145 HE1 PHE 21 1HE PHE 21 12.593 -5.353 -0.252 146 HE2 PHE 21 2HE PHE 21 9.281 -6.010 2.318 147 HZ PHE 21 HZ PHE 21 11.154 -6.887 1.005 148 H LYS 22 H LYS 22 10.521 1.621 2.217 149 HA LYS 22 HA LYS 22 13.289 1.742 1.690 150 2HB LYS 22 2HB LYS 22 12.193 3.505 0.741 151 2HG LYS 22 2HG LYS 22 9.973 3.180 1.650 152 2HD LYS 22 2HD LYS 22 10.690 2.553 3.975 153 2HE LYS 22 2HE LYS 22 12.285 4.141 4.678 154 1HZ LYS 22 1HZ LYS 22 11.799 5.779 3.007 155 2HZ LYS 22 2HZ LYS 22 10.428 6.229 3.768 156 3HZ LYS 22 3HZ LYS 22 11.878 6.498 4.470 157 H LYS 23 H LYS 23 11.636 0.993 4.518 158 HA LYS 23 HA LYS 23 13.835 2.081 6.137 159 2HB LYS 23 2HB LYS 23 11.597 3.110 6.583 160 2HG LYS 23 2HG LYS 23 10.843 0.284 6.714 161 2HD LYS 23 2HD LYS 23 11.226 1.012 9.234 162 2HE LYS 23 2HE LYS 23 8.808 1.904 9.959 163 1HZ LYS 23 1HZ LYS 23 10.140 4.171 9.099 164 2HZ LYS 23 2HZ LYS 23 10.124 3.526 10.599 165 3HZ LYS 23 3HZ LYS 23 11.281 3.087 9.534 166 H TRP 24 H TRP 24 11.894 -0.689 5.115 167 HA TRP 24 HA TRP 24 13.038 -2.402 7.141 168 2HB TRP 24 2HB TRP 24 11.789 -4.144 5.655 169 HD1 TRP 24 HD TRP 24 11.480 -1.767 8.421 170 HE1 TRP 24 1HE TRP 24 9.344 -2.133 9.926 171 HE3 TRP 24 3HE TRP 24 9.048 -4.805 5.149 172 HZ2 TRP 24 2HZ TRP 24 6.932 -3.620 9.588 173 HZ3 TRP 24 3HZ TRP 24 6.808 -5.671 5.814 174 HH2 TRP 24 HH TRP 24 5.747 -5.125 7.947 175 H GLY 25 H GLY 25 12.869 -2.550 3.505 176 1HA GLY 25 1HA GLY 25 15.621 -3.630 3.540 177 2HA GLY 25 2HA GLY 25 14.388 -4.035 2.364 178 H TRP 26 H TRP 26 17.056 -2.011 3.051 179 HA TRP 26 HA TRP 26 16.526 0.391 1.916 180 2HB TRP 26 2HB TRP 26 19.083 -0.945 1.174 181 HD1 TRP 26 HD TRP 26 17.355 2.186 2.706 182 HE1 TRP 26 1HE TRP 26 18.819 4.347 2.315 183 HE3 TRP 26 3HE TRP 26 21.329 -0.239 0.661 184 HZ2 TRP 26 2HZ TRP 26 21.417 4.789 1.219 185 HZ3 TRP 26 3HZ TRP 26 23.290 1.132 -0.041 186 HH2 TRP 26 HH TRP 26 23.374 3.562 0.209 Start of MODEL 16 1 1H LYS 1 H LYS 1 -11.925 5.518 0.794 2 HA LYS 1 HA LYS 1 -10.777 6.110 -1.555 3 2HB LYS 1 2HB LYS 1 -13.119 7.431 -1.859 4 2HG LYS 1 2HG LYS 1 -14.129 5.077 -2.149 5 2HD LYS 1 2HD LYS 1 -12.368 4.442 -3.946 6 2HE LYS 1 2HE LYS 1 -14.364 6.390 -3.919 7 1HZ LYS 1 1HZ LYS 1 -12.986 8.207 -3.755 8 2HZ LYS 1 2HZ LYS 1 -11.791 7.555 -4.657 9 3HZ LYS 1 3HZ LYS 1 -13.166 8.070 -5.373 10 H SER 2 H SER 2 -12.306 8.677 0.521 11 HA SER 2 HA SER 2 -10.313 10.478 -0.617 12 2HB SER 2 2HB SER 2 -12.492 11.157 -1.388 13 HG SER 2 HG SER 2 -14.019 11.816 0.534 14 H SER 3 H SER 3 -12.496 10.007 2.262 15 HA SER 3 HA SER 3 -10.347 11.153 3.863 16 2HB SER 3 2HB SER 3 -12.460 11.247 5.553 17 HG SER 3 HG SER 3 -12.259 13.176 3.414 18 H ALA 4 H ALA 4 -9.307 8.963 3.804 19 HA ALA 4 HA ALA 4 -10.158 7.425 6.063 20 1HB ALA 4 1HB ALA 4 -11.375 5.895 4.953 21 2HB ALA 4 2HB ALA 4 -10.997 6.662 3.391 22 3HB ALA 4 3HB ALA 4 -9.900 5.435 4.070 23 H TYR 5 H TYR 5 -8.574 5.320 6.074 24 HA TYR 5 HA TYR 5 -5.926 6.456 5.530 25 2HB TYR 5 2HB TYR 5 -6.910 5.658 7.867 26 HD1 TYR 5 1HD TYR 5 -8.749 4.076 7.971 27 HD2 TYR 5 2HD TYR 5 -4.847 2.808 6.761 28 HE1 TYR 5 1HE TYR 5 -9.441 1.646 8.260 29 HE2 TYR 5 2HE TYR 5 -5.552 0.383 7.053 30 HH TYR 5 HH TYR 5 -8.606 -0.604 7.160 31 H SER 6 H SER 6 -7.972 4.775 3.755 32 HA SER 6 HA SER 6 -5.894 3.334 2.486 33 2HB SER 6 2HB SER 6 -6.289 1.533 3.946 34 HG SER 6 HG SER 6 -9.042 2.367 3.837 35 H LEU 7 H LEU 7 -6.918 2.079 0.488 36 HA LEU 7 HA LEU 7 -9.398 3.381 -0.342 37 2HB LEU 7 2HB LEU 7 -7.885 4.841 -1.314 38 HG LEU 7 HG LEU 7 -5.911 2.951 -1.088 39 1HD1 LEU 7 1HD1 LEU 7 -5.823 3.334 -4.012 40 2HD1 LEU 7 2HD1 LEU 7 -5.353 1.938 -3.013 41 3HD1 LEU 7 3HD1 LEU 7 -7.063 2.196 -3.431 42 1HD2 LEU 7 1HD2 LEU 7 -4.439 4.609 -1.936 43 2HD2 LEU 7 2HD2 LEU 7 -5.724 5.354 -2.914 44 3HD2 LEU 7 3HD2 LEU 7 -5.778 5.469 -1.139 45 H GLN 8 H GLN 8 -6.802 1.071 -1.417 46 HA GLN 8 HA GLN 8 -8.870 -0.925 -1.655 47 2HB GLN 8 2HB GLN 8 -7.013 -0.865 -3.983 48 2HG GLN 8 2HG GLN 8 -9.989 -0.901 -4.261 49 1HE2 GLN 8 1HE2 GLN 8 -10.347 -1.469 -6.257 50 2HE2 GLN 8 2HE2 GLN 8 -9.324 -2.413 -7.286 51 H MET 9 H MET 9 -7.962 -3.155 -1.811 52 HA MET 9 HA MET 9 -5.130 -3.301 -1.264 53 2HB MET 9 2HB MET 9 -5.662 -3.420 0.999 54 2HG MET 9 2HG MET 9 -8.423 -3.912 -0.067 55 1HE MET 9 1HE MET 9 -10.350 -5.993 1.539 56 2HE MET 9 2HE MET 9 -10.529 -4.681 2.729 57 3HE MET 9 3HE MET 9 -10.285 -4.295 1.008 58 H GLY 10 H GLY 10 -8.260 -5.109 -1.575 59 1HA GLY 10 1HA GLY 10 -8.749 -7.081 -2.545 60 2HA GLY 10 2HA GLY 10 -7.618 -6.584 -3.786 61 H ALA 11 H ALA 11 -5.424 -7.356 -3.763 62 HA ALA 11 HA ALA 11 -4.500 -8.989 -1.623 63 1HB ALA 11 1HB ALA 11 -5.965 -10.211 -3.869 64 2HB ALA 11 2HB ALA 11 -4.338 -10.892 -3.630 65 3HB ALA 11 3HB ALA 11 -5.511 -10.900 -2.292 66 H THR 12 H THR 12 -4.243 -8.477 -5.215 67 HA THR 12 HA THR 12 -1.430 -8.728 -5.230 68 HB THR 12 HB THR 12 -1.732 -7.834 -7.561 69 HG1 THR 12 1HG THR 12 -3.970 -7.160 -8.035 70 1HG2 THR 12 1HG2 THR 12 -2.709 -10.237 -6.682 71 2HG2 THR 12 2HG2 THR 12 -4.225 -9.471 -7.217 72 3HG2 THR 12 3HG2 THR 12 -2.882 -9.687 -8.366 73 H ALA 13 H ALA 13 -3.630 -5.867 -5.110 74 HA ALA 13 HA ALA 13 -1.861 -3.857 -5.386 75 1HB ALA 13 1HB ALA 13 -3.856 -2.892 -4.966 76 2HB ALA 13 2HB ALA 13 -4.426 -4.304 -4.044 77 3HB ALA 13 3HB ALA 13 -3.457 -3.046 -3.239 78 H ILE 14 H ILE 14 -2.337 -5.954 -2.498 79 HA ILE 14 HA ILE 14 -0.868 -4.612 -0.652 80 HB ILE 14 HB ILE 14 -1.007 -7.583 -1.177 81 2HG1 ILE 14 2HG1 ILE 14 -3.201 -6.615 -0.884 82 1HG2 ILE 14 1HG2 ILE 14 -0.081 -8.021 0.887 83 2HG2 ILE 14 2HG2 ILE 14 0.896 -6.638 0.343 84 3HG2 ILE 14 3HG2 ILE 14 -0.422 -6.390 1.513 85 1HD1 ILE 14 1HD1 ILE 14 -3.127 -7.499 1.859 86 2HD1 ILE 14 2HD1 ILE 14 -3.727 -8.377 0.431 87 3HD1 ILE 14 3HD1 ILE 14 -2.018 -8.518 0.910 88 H LYS 15 H LYS 15 0.403 -6.965 -3.111 89 HA LYS 15 HA LYS 15 3.029 -6.898 -2.478 90 2HB LYS 15 2HB LYS 15 1.489 -7.249 -5.004 91 2HG LYS 15 2HG LYS 15 3.976 -7.825 -5.902 92 2HD LYS 15 2HD LYS 15 3.024 -4.941 -6.018 93 2HE LYS 15 2HE LYS 15 3.976 -6.772 -8.257 94 1HZ LYS 15 1HZ LYS 15 2.864 -4.622 -8.699 95 2HZ LYS 15 2HZ LYS 15 4.099 -3.856 -7.957 96 3HZ LYS 15 3HZ LYS 15 4.375 -4.727 -9.311 97 H GLN 16 H GLN 16 1.159 -4.420 -4.307 98 HA GLN 16 HA GLN 16 3.281 -2.880 -5.084 99 2HB GLN 16 2HB GLN 16 0.537 -2.737 -5.303 100 2HG GLN 16 2HG GLN 16 1.475 -0.331 -3.669 101 1HE2 GLN 16 1HE2 GLN 16 0.569 1.430 -4.381 102 2HE2 GLN 16 2HE2 GLN 16 -1.005 1.599 -5.085 103 H VAL 17 H VAL 17 1.437 -2.900 -1.982 104 HA VAL 17 HA VAL 17 2.531 -0.644 -0.840 105 HB VAL 17 HB VAL 17 0.646 -2.244 -0.097 106 1HG1 VAL 17 1HG1 VAL 17 2.324 -3.462 1.937 107 2HG1 VAL 17 2HG1 VAL 17 1.143 -4.212 0.836 108 3HG1 VAL 17 3HG1 VAL 17 2.823 -3.968 0.305 109 1HG2 VAL 17 1HG2 VAL 17 2.544 -1.036 1.945 110 2HG2 VAL 17 2HG2 VAL 17 1.248 -0.178 1.078 111 3HG2 VAL 17 3HG2 VAL 17 0.842 -1.472 2.232 112 H LYS 18 H LYS 18 3.881 -3.914 -1.305 113 HA LYS 18 HA LYS 18 6.021 -3.616 0.493 114 2HB LYS 18 2HB LYS 18 5.093 -5.538 -1.498 115 2HG LYS 18 2HG LYS 18 7.555 -6.541 -1.464 116 2HD LYS 18 2HD LYS 18 7.980 -4.870 -3.574 117 2HE LYS 18 2HE LYS 18 5.789 -7.001 -3.488 118 1HZ LYS 18 1HZ LYS 18 7.558 -6.273 -5.705 119 2HZ LYS 18 2HZ LYS 18 6.208 -7.191 -5.751 120 3HZ LYS 18 3HZ LYS 18 6.091 -5.580 -5.512 121 H LYS 19 H LYS 19 5.496 -2.705 -2.929 122 HA LYS 19 HA LYS 19 8.192 -2.088 -3.456 123 2HB LYS 19 2HB LYS 19 5.616 -1.927 -4.803 124 2HG LYS 19 2HG LYS 19 6.561 -0.134 -6.427 125 2HD LYS 19 2HD LYS 19 5.924 1.695 -4.445 126 2HE LYS 19 2HE LYS 19 4.062 -0.097 -6.075 127 1HZ LYS 19 1HZ LYS 19 3.433 1.677 -4.084 128 2HZ LYS 19 2HZ LYS 19 3.111 2.466 -5.478 129 3HZ LYS 19 3HZ LYS 19 2.412 1.021 -5.176 130 H LEU 20 H LEU 20 5.776 -0.596 -1.485 131 HA LEU 20 HA LEU 20 7.083 2.004 -1.687 132 2HB LEU 20 2HB LEU 20 4.454 1.302 -1.534 133 HG LEU 20 HG LEU 20 4.779 0.785 0.953 134 1HD1 LEU 20 1HD1 LEU 20 4.502 3.441 1.912 135 2HD1 LEU 20 2HD1 LEU 20 5.797 2.267 2.247 136 3HD1 LEU 20 3HD1 LEU 20 5.949 3.394 0.877 137 1HD2 LEU 20 1HD2 LEU 20 2.603 1.274 1.285 138 2HD2 LEU 20 2HD2 LEU 20 2.792 2.974 0.795 139 3HD2 LEU 20 3HD2 LEU 20 2.654 1.702 -0.442 140 H PHE 21 H PHE 21 7.150 -0.934 0.115 141 HA PHE 21 HA PHE 21 7.701 0.060 2.664 142 2HB PHE 21 2HB PHE 21 9.157 -2.384 1.775 143 HD1 PHE 21 1HD PHE 21 5.804 -1.619 3.248 144 HD2 PHE 21 2HD PHE 21 9.623 -3.390 3.787 145 HE1 PHE 21 1HE PHE 21 5.118 -2.402 5.532 146 HE2 PHE 21 2HE PHE 21 8.937 -4.172 6.071 147 HZ PHE 21 HZ PHE 21 6.693 -3.669 6.917 148 H LYS 22 H LYS 22 9.562 0.099 -0.282 149 HA LYS 22 HA LYS 22 12.132 -0.009 0.876 150 2HB LYS 22 2HB LYS 22 12.214 -0.480 -1.357 151 2HG LYS 22 2HG LYS 22 9.926 -0.008 -1.988 152 2HD LYS 22 2HD LYS 22 9.655 2.068 -0.598 153 2HE LYS 22 2HE LYS 22 11.536 3.435 -0.989 154 1HZ LYS 22 1HZ LYS 22 11.109 2.862 -3.835 155 2HZ LYS 22 2HZ LYS 22 12.165 3.986 -3.301 156 3HZ LYS 22 3HZ LYS 22 12.382 2.415 -2.915 157 H LYS 23 H LYS 23 9.637 2.200 1.300 158 HA LYS 23 HA LYS 23 11.576 4.345 1.829 159 2HB LYS 23 2HB LYS 23 9.990 4.809 -0.051 160 2HG LYS 23 2HG LYS 23 8.065 3.941 1.978 161 2HD LYS 23 2HD LYS 23 8.110 6.799 1.338 162 2HE LYS 23 2HE LYS 23 6.100 5.166 -0.037 163 1HZ LYS 23 1HZ LYS 23 4.726 5.563 1.801 164 2HZ LYS 23 2HZ LYS 23 5.214 7.113 1.969 165 3HZ LYS 23 3HZ LYS 23 4.293 6.681 0.692 166 H TRP 24 H TRP 24 8.961 2.262 2.969 167 HA TRP 24 HA TRP 24 8.665 3.765 5.421 168 2HB TRP 24 2HB TRP 24 7.192 1.686 5.941 169 HD1 TRP 24 HD TRP 24 7.281 4.991 4.392 170 HE1 TRP 24 1HE TRP 24 4.903 6.037 3.924 171 HE3 TRP 24 3HE TRP 24 4.682 0.658 4.966 172 HZ2 TRP 24 2HZ TRP 24 2.262 4.958 3.848 173 HZ3 TRP 24 3HZ TRP 24 2.207 0.742 4.677 174 HH2 TRP 24 HH TRP 24 0.997 2.796 4.138 175 H GLY 25 H GLY 25 9.161 2.789 7.541 176 1HA GLY 25 1HA GLY 25 10.800 0.414 7.622 177 2HA GLY 25 2HA GLY 25 11.692 1.899 7.889 178 H TRP 26 H TRP 26 10.888 3.412 9.634 179 HA TRP 26 HA TRP 26 10.515 2.019 12.018 180 2HB TRP 26 2HB TRP 26 11.489 4.358 11.567 181 HD1 TRP 26 HD TRP 26 8.446 4.592 9.963 182 HE1 TRP 26 1HE TRP 26 7.202 6.918 10.023 183 HE3 TRP 26 3HE TRP 26 10.992 6.444 13.956 184 HZ2 TRP 26 2HZ TRP 26 7.416 9.220 11.696 185 HZ3 TRP 26 3HZ TRP 26 10.412 8.738 14.739 186 HH2 TRP 26 HH TRP 26 8.694 10.114 13.678 Start of MODEL 17 1 1H LYS 1 H LYS 1 -3.329 14.372 5.853 2 HA LYS 1 HA LYS 1 -3.138 15.050 3.089 3 2HB LYS 1 2HB LYS 1 -0.610 14.149 3.213 4 2HG LYS 1 2HG LYS 1 -1.396 17.060 3.701 5 2HD LYS 1 2HD LYS 1 0.645 16.967 1.822 6 2HE LYS 1 2HE LYS 1 2.132 17.683 3.742 7 1HZ LYS 1 1HZ LYS 1 -0.563 18.841 3.871 8 2HZ LYS 1 2HZ LYS 1 0.843 19.581 4.251 9 3HZ LYS 1 3HZ LYS 1 0.519 19.192 2.698 10 H SER 2 H SER 2 -1.680 12.688 5.443 11 HA SER 2 HA SER 2 -1.859 10.494 3.923 12 2HB SER 2 2HB SER 2 -2.364 9.318 6.254 13 HG SER 2 HG SER 2 -0.052 10.941 5.644 14 H SER 3 H SER 3 -3.493 9.317 2.977 15 HA SER 3 HA SER 3 -6.167 10.140 3.493 16 2HB SER 3 2HB SER 3 -4.956 8.042 1.643 17 HG SER 3 HG SER 3 -6.938 7.486 1.017 18 H ALA 4 H ALA 4 -4.587 6.855 3.388 19 HA ALA 4 HA ALA 4 -5.479 6.140 5.959 20 1HB ALA 4 1HB ALA 4 -7.239 4.559 5.377 21 2HB ALA 4 2HB ALA 4 -7.683 6.174 4.775 22 3HB ALA 4 3HB ALA 4 -7.060 4.945 3.648 23 H TYR 5 H TYR 5 -5.071 4.666 2.654 24 HA TYR 5 HA TYR 5 -3.836 2.937 1.985 25 2HB TYR 5 2HB TYR 5 -1.396 3.211 2.766 26 HD1 TYR 5 1HD TYR 5 -1.572 3.813 0.330 27 HD2 TYR 5 2HD TYR 5 -2.417 6.630 3.438 28 HE1 TYR 5 1HE TYR 5 -1.332 5.725 -1.328 29 HE2 TYR 5 2HE TYR 5 -2.172 8.532 1.770 30 HH TYR 5 HH TYR 5 -0.889 8.010 -1.384 31 H SER 6 H SER 6 -5.305 1.422 3.188 32 HA SER 6 HA SER 6 -3.720 -0.340 4.692 33 2HB SER 6 2HB SER 6 -4.891 -0.279 6.821 34 HG SER 6 HG SER 6 -4.420 2.491 6.150 35 H LEU 7 H LEU 7 -7.005 0.816 3.759 36 HA LEU 7 HA LEU 7 -8.353 -1.589 4.025 37 2HB LEU 7 2HB LEU 7 -8.967 0.966 3.309 38 HG LEU 7 HG LEU 7 -9.345 -0.774 0.866 39 1HD1 LEU 7 1HD1 LEU 7 -11.061 0.588 0.059 40 2HD1 LEU 7 2HD1 LEU 7 -11.496 0.312 1.763 41 3HD1 LEU 7 3HD1 LEU 7 -10.759 1.855 1.272 42 1HD2 LEU 7 1HD2 LEU 7 -7.831 0.528 -0.101 43 2HD2 LEU 7 2HD2 LEU 7 -8.703 2.000 0.389 44 3HD2 LEU 7 3HD2 LEU 7 -7.516 1.262 1.490 45 H GLN 8 H GLN 8 -7.590 -3.498 3.249 46 HA GLN 8 HA GLN 8 -6.747 -3.455 0.455 47 2HB GLN 8 2HB GLN 8 -5.657 -5.780 1.504 48 2HG GLN 8 2HG GLN 8 -4.383 -3.003 1.435 49 1HE2 GLN 8 1HE2 GLN 8 -2.145 -3.001 1.252 50 2HE2 GLN 8 2HE2 GLN 8 -1.155 -4.324 1.769 51 H MET 9 H MET 9 -8.022 -4.609 -0.935 52 HA MET 9 HA MET 9 -9.336 -6.960 0.062 53 2HB MET 9 2HB MET 9 -11.503 -5.920 -1.181 54 2HG MET 9 2HG MET 9 -11.360 -4.586 1.413 55 1HE MET 9 1HE MET 9 -13.735 -7.591 2.747 56 2HE MET 9 2HE MET 9 -12.604 -8.477 1.698 57 3HE MET 9 3HE MET 9 -11.990 -7.255 2.836 58 H GLY 10 H GLY 10 -8.858 -4.625 -2.658 59 1HA GLY 10 1HA GLY 10 -9.616 -6.231 -4.777 60 2HA GLY 10 2HA GLY 10 -8.412 -4.958 -4.835 61 H ALA 11 H ALA 11 -6.224 -5.470 -4.988 62 HA ALA 11 HA ALA 11 -5.038 -7.784 -4.079 63 1HB ALA 11 1HB ALA 11 -6.589 -8.169 -6.518 64 2HB ALA 11 2HB ALA 11 -4.863 -8.502 -6.794 65 3HB ALA 11 3HB ALA 11 -5.743 -9.369 -5.512 66 H THR 12 H THR 12 -4.832 -6.367 -7.407 67 HA THR 12 HA THR 12 -2.178 -6.011 -7.556 68 HB THR 12 HB THR 12 -2.734 -4.175 -9.156 69 HG1 THR 12 1HG THR 12 -5.144 -3.644 -9.077 70 1HG2 THR 12 1HG2 THR 12 -4.037 -6.775 -9.142 71 2HG2 THR 12 2HG2 THR 12 -5.165 -5.560 -9.786 72 3HG2 THR 12 3HG2 THR 12 -3.571 -5.783 -10.544 73 H ALA 13 H ALA 13 -4.434 -3.573 -6.100 74 HA ALA 13 HA ALA 13 -2.735 -1.626 -5.438 75 1HB ALA 13 1HB ALA 13 -5.226 -2.728 -4.392 76 2HB ALA 13 2HB ALA 13 -4.246 -1.995 -3.099 77 3HB ALA 13 3HB ALA 13 -4.704 -1.032 -4.524 78 H ILE 14 H ILE 14 -2.967 -4.857 -3.888 79 HA ILE 14 HA ILE 14 -1.537 -4.541 -1.639 80 HB ILE 14 HB ILE 14 -1.399 -6.769 -3.670 81 2HG1 ILE 14 2HG1 ILE 14 -3.622 -6.099 -2.574 82 1HG2 ILE 14 1HG2 ILE 14 0.576 -6.686 -2.096 83 2HG2 ILE 14 2HG2 ILE 14 -0.577 -6.946 -0.766 84 3HG2 ILE 14 3HG2 ILE 14 -0.401 -8.173 -2.043 85 1HD1 ILE 14 1HD1 ILE 14 -2.557 -8.917 -2.078 86 2HD1 ILE 14 2HD1 ILE 14 -4.265 -8.445 -2.250 87 3HD1 ILE 14 3HD1 ILE 14 -3.163 -8.326 -3.643 88 H LYS 15 H LYS 15 -0.031 -5.263 -4.873 89 HA LYS 15 HA LYS 15 2.578 -4.966 -4.059 90 2HB LYS 15 2HB LYS 15 3.128 -4.887 -6.352 91 2HG LYS 15 2HG LYS 15 1.359 -6.774 -5.400 92 2HD LYS 15 2HD LYS 15 -0.043 -5.144 -7.434 93 2HE LYS 15 2HE LYS 15 0.865 -7.231 -8.720 94 1HZ LYS 15 1HZ LYS 15 0.333 -8.760 -6.900 95 2HZ LYS 15 2HZ LYS 15 -1.261 -8.490 -7.132 96 3HZ LYS 15 3HZ LYS 15 -0.373 -9.194 -8.307 97 H GLN 16 H GLN 16 0.154 -2.498 -5.019 98 HA GLN 16 HA GLN 16 1.869 -0.376 -5.254 99 2HB GLN 16 2HB GLN 16 -0.900 -0.794 -5.326 100 2HG GLN 16 2HG GLN 16 -0.219 1.357 -3.265 101 1HE2 GLN 16 1HE2 GLN 16 -2.188 2.167 -2.236 102 2HE2 GLN 16 2HE2 GLN 16 -3.608 2.429 -3.195 103 H VAL 17 H VAL 17 0.354 -1.853 -2.347 104 HA VAL 17 HA VAL 17 0.991 0.129 -0.519 105 HB VAL 17 HB VAL 17 -0.455 -2.005 -0.353 106 1HG1 VAL 17 1HG1 VAL 17 2.030 -3.248 -0.559 107 2HG1 VAL 17 2HG1 VAL 17 1.623 -3.375 1.169 108 3HG1 VAL 17 3HG1 VAL 17 0.500 -4.007 -0.059 109 1HG2 VAL 17 1HG2 VAL 17 -0.242 -0.348 1.435 110 2HG2 VAL 17 2HG2 VAL 17 -0.265 -1.997 2.105 111 3HG2 VAL 17 3HG2 VAL 17 1.273 -1.109 1.980 112 H LYS 18 H LYS 18 2.967 -2.417 -2.041 113 HA LYS 18 HA LYS 18 5.115 -2.261 -0.234 114 2HB LYS 18 2HB LYS 18 4.470 -3.588 -2.744 115 2HG LYS 18 2HG LYS 18 7.072 -3.936 -3.107 116 2HD LYS 18 2HD LYS 18 6.946 -1.611 -4.510 117 2HE LYS 18 2HE LYS 18 5.311 -4.132 -5.070 118 1HZ LYS 18 1HZ LYS 18 5.193 -3.405 -7.220 119 2HZ LYS 18 2HZ LYS 18 4.948 -2.005 -6.416 120 3HZ LYS 18 3HZ LYS 18 6.408 -2.324 -7.074 121 H LYS 19 H LYS 19 4.127 -0.366 -3.094 122 HA LYS 19 HA LYS 19 6.599 0.959 -3.402 123 2HB LYS 19 2HB LYS 19 3.939 1.002 -4.588 124 2HG LYS 19 2HG LYS 19 4.402 3.409 -5.489 125 2HD LYS 19 2HD LYS 19 3.485 4.250 -3.015 126 2HE LYS 19 2HE LYS 19 1.175 3.454 -3.955 127 1HZ LYS 19 1HZ LYS 19 1.678 4.975 -5.987 128 2HZ LYS 19 2HZ LYS 19 1.619 5.592 -4.476 129 3HZ LYS 19 3HZ LYS 19 3.062 5.281 -5.175 130 H LEU 20 H LEU 20 4.066 1.143 -1.042 131 HA LEU 20 HA LEU 20 4.722 3.883 -0.345 132 2HB LEU 20 2HB LEU 20 2.406 2.446 -0.283 133 HG LEU 20 HG LEU 20 3.195 1.257 1.819 134 1HD1 LEU 20 1HD1 LEU 20 3.723 3.977 2.613 135 2HD1 LEU 20 2HD1 LEU 20 2.571 3.218 3.737 136 3HD1 LEU 20 3HD1 LEU 20 4.147 2.453 3.427 137 1HD2 LEU 20 1HD2 LEU 20 0.863 2.636 2.834 138 2HD2 LEU 20 2HD2 LEU 20 0.698 2.302 1.093 139 3HD2 LEU 20 3HD2 LEU 20 1.031 0.971 2.228 140 H PHE 21 H PHE 21 5.762 0.654 0.319 141 HA PHE 21 HA PHE 21 6.515 1.029 3.015 142 2HB PHE 21 2HB PHE 21 8.173 -0.830 1.443 143 HD1 PHE 21 1HD PHE 21 8.907 -1.781 3.473 144 HD2 PHE 21 2HD PHE 21 4.747 -1.503 2.677 145 HE1 PHE 21 1HE PHE 21 8.430 -3.250 5.452 146 HE2 PHE 21 2HE PHE 21 4.271 -2.971 4.655 147 HZ PHE 21 HZ PHE 21 6.117 -3.828 6.020 148 H LYS 22 H LYS 22 7.780 2.210 0.010 149 HA LYS 22 HA LYS 22 10.469 2.179 0.303 150 2HB LYS 22 2HB LYS 22 8.918 3.211 -1.517 151 2HG LYS 22 2HG LYS 22 9.152 5.796 -1.330 152 2HD LYS 22 2HD LYS 22 7.184 4.045 0.142 153 2HE LYS 22 2HE LYS 22 7.692 6.906 0.715 154 1HZ LYS 22 1HZ LYS 22 5.016 6.815 0.839 155 2HZ LYS 22 2HZ LYS 22 5.872 7.616 -0.299 156 3HZ LYS 22 3HZ LYS 22 5.303 6.117 -0.609 157 H LYS 23 H LYS 23 8.095 4.284 2.000 158 HA LYS 23 HA LYS 23 10.211 5.677 3.367 159 2HB LYS 23 2HB LYS 23 8.114 6.795 2.648 160 2HG LYS 23 2HG LYS 23 6.774 5.367 4.973 161 2HD LYS 23 2HD LYS 23 5.113 6.235 2.732 162 2HE LYS 23 2HE LYS 23 4.343 5.818 5.089 163 1HZ LYS 23 1HZ LYS 23 5.991 8.191 5.591 164 2HZ LYS 23 2HZ LYS 23 4.811 7.705 6.610 165 3HZ LYS 23 3HZ LYS 23 6.092 6.734 6.322 166 H TRP 24 H TRP 24 7.635 3.257 4.157 167 HA TRP 24 HA TRP 24 8.163 3.022 6.849 168 2HB TRP 24 2HB TRP 24 7.230 0.708 6.579 169 HD1 TRP 24 HD TRP 24 6.271 4.174 6.472 170 HE1 TRP 24 1HE TRP 24 3.670 4.621 6.488 171 HE3 TRP 24 3HE TRP 24 4.920 -0.561 5.200 172 HZ2 TRP 24 2HZ TRP 24 1.391 2.981 5.976 173 HZ3 TRP 24 3HZ TRP 24 2.487 -1.054 4.979 174 HH2 TRP 24 HH TRP 24 0.749 0.625 5.344 175 H GLY 25 H GLY 25 9.385 1.291 8.012 176 1HA GLY 25 1HA GLY 25 11.266 -0.370 6.792 177 2HA GLY 25 2HA GLY 25 12.065 1.150 7.144 178 H TRP 26 H TRP 26 10.709 -1.804 8.468 179 HA TRP 26 HA TRP 26 10.309 -1.255 11.089 180 2HB TRP 26 2HB TRP 26 11.274 -3.603 11.464 181 HD1 TRP 26 HD TRP 26 8.341 -2.051 11.223 182 HE1 TRP 26 1HE TRP 26 6.189 -3.402 10.513 183 HE3 TRP 26 3HE TRP 26 10.838 -5.887 9.005 184 HZ2 TRP 26 2HZ TRP 26 5.780 -5.868 9.135 185 HZ3 TRP 26 3HZ TRP 26 9.486 -7.725 8.003 186 HH2 TRP 26 HH TRP 26 7.043 -7.757 8.042 Start of MODEL 18 1 1H LYS 1 H LYS 1 -1.764 14.656 -1.378 2 HA LYS 1 HA LYS 1 -0.780 12.145 -1.030 3 2HB LYS 1 2HB LYS 1 -1.745 12.500 1.388 4 2HG LYS 1 2HG LYS 1 0.437 13.817 -0.135 5 2HD LYS 1 2HD LYS 1 0.308 14.880 2.613 6 2HE LYS 1 2HE LYS 1 0.888 17.004 1.361 7 1HZ LYS 1 1HZ LYS 1 2.568 15.341 1.990 8 2HZ LYS 1 2HZ LYS 1 2.469 14.687 0.497 9 3HZ LYS 1 3HZ LYS 1 2.994 16.222 0.682 10 H SER 2 H SER 2 -2.029 10.779 -2.506 11 HA SER 2 HA SER 2 -4.759 10.326 -1.867 12 2HB SER 2 2HB SER 2 -4.317 8.332 -3.541 13 HG SER 2 HG SER 2 -3.724 10.667 -4.948 14 H SER 3 H SER 3 -4.509 9.739 0.440 15 HA SER 3 HA SER 3 -3.220 7.168 0.830 16 2HB SER 3 2HB SER 3 -4.286 8.389 3.257 17 HG SER 3 HG SER 3 -2.205 6.961 2.584 18 H ALA 4 H ALA 4 -4.394 5.333 1.499 19 HA ALA 4 HA ALA 4 -7.307 5.702 1.518 20 1HB ALA 4 1HB ALA 4 -7.272 4.064 -0.019 21 2HB ALA 4 2HB ALA 4 -5.511 3.878 0.166 22 3HB ALA 4 3HB ALA 4 -6.618 2.966 1.220 23 H TYR 5 H TYR 5 -8.543 4.304 3.034 24 HA TYR 5 HA TYR 5 -6.937 3.636 5.407 25 2HB TYR 5 2HB TYR 5 -9.421 4.284 6.378 26 HD1 TYR 5 1HD TYR 5 -7.113 6.577 4.488 27 HD2 TYR 5 2HD TYR 5 -8.810 5.481 8.259 28 HE1 TYR 5 1HE TYR 5 -5.833 8.461 5.619 29 HE2 TYR 5 2HE TYR 5 -7.524 7.367 9.378 30 HH TYR 5 HH TYR 5 -5.632 8.698 9.044 31 H SER 6 H SER 6 -6.853 1.408 4.651 32 HA SER 6 HA SER 6 -8.891 -0.123 5.704 33 2HB SER 6 2HB SER 6 -8.880 -0.324 2.672 34 HG SER 6 HG SER 6 -11.081 -1.185 3.227 35 H LEU 7 H LEU 7 -8.561 -2.578 4.908 36 HA LEU 7 HA LEU 7 -5.710 -2.994 5.007 37 2HB LEU 7 2HB LEU 7 -6.283 -5.305 5.407 38 HG LEU 7 HG LEU 7 -8.160 -3.495 6.954 39 1HD1 LEU 7 1HD1 LEU 7 -7.458 -5.654 8.564 40 2HD1 LEU 7 2HD1 LEU 7 -9.032 -5.366 7.781 41 3HD1 LEU 7 3HD1 LEU 7 -7.809 -6.382 6.978 42 1HD2 LEU 7 1HD2 LEU 7 -5.282 -3.849 7.012 43 2HD2 LEU 7 2HD2 LEU 7 -6.307 -2.661 7.853 44 3HD2 LEU 7 3HD2 LEU 7 -6.022 -4.262 8.577 45 H GLN 8 H GLN 8 -8.414 -4.268 2.932 46 HA GLN 8 HA GLN 8 -6.853 -3.735 0.617 47 2HB GLN 8 2HB GLN 8 -5.845 -5.882 1.369 48 2HG GLN 8 2HG GLN 8 -8.654 -7.007 0.942 49 1HE2 GLN 8 1HE2 GLN 8 -8.018 -8.655 -0.373 50 2HE2 GLN 8 2HE2 GLN 8 -6.958 -9.937 0.108 51 H MET 9 H MET 9 -8.112 -4.152 -1.402 52 HA MET 9 HA MET 9 -10.818 -4.978 -1.070 53 2HB MET 9 2HB MET 9 -11.506 -2.643 -2.198 54 2HG MET 9 2HG MET 9 -10.859 -2.174 0.672 55 1HE MET 9 1HE MET 9 -14.570 -2.759 1.252 56 2HE MET 9 2HE MET 9 -15.057 -2.966 -0.448 57 3HE MET 9 3HE MET 9 -13.747 -3.963 0.231 58 H GLY 10 H GLY 10 -8.523 -3.118 -3.186 59 1HA GLY 10 1HA GLY 10 -9.721 -4.088 -5.603 60 2HA GLY 10 2HA GLY 10 -8.249 -3.154 -5.436 61 H ALA 11 H ALA 11 -6.218 -4.185 -5.347 62 HA ALA 11 HA ALA 11 -5.704 -6.776 -4.681 63 1HB ALA 11 1HB ALA 11 -5.530 -7.183 -7.508 64 2HB ALA 11 2HB ALA 11 -6.512 -8.077 -6.321 65 3HB ALA 11 3HB ALA 11 -7.188 -6.647 -7.138 66 H THR 12 H THR 12 -5.114 -4.329 -7.285 67 HA THR 12 HA THR 12 -2.335 -4.879 -7.434 68 HB THR 12 HB THR 12 -4.044 -2.485 -8.290 69 HG1 THR 12 1HG THR 12 -4.202 -3.773 -10.179 70 1HG2 THR 12 1HG2 THR 12 -2.230 -2.119 -9.963 71 2HG2 THR 12 2HG2 THR 12 -1.594 -1.940 -8.309 72 3HG2 THR 12 3HG2 THR 12 -1.283 -3.434 -9.226 73 H ALA 13 H ALA 13 -4.257 -2.301 -5.774 74 HA ALA 13 HA ALA 13 -2.276 -0.779 -4.777 75 1HB ALA 13 1HB ALA 13 -4.281 0.036 -4.082 76 2HB ALA 13 2HB ALA 13 -4.999 -1.585 -3.929 77 3HB ALA 13 3HB ALA 13 -3.972 -0.939 -2.626 78 H ILE 14 H ILE 14 -3.390 -3.975 -3.507 79 HA ILE 14 HA ILE 14 -2.029 -4.158 -1.202 80 HB ILE 14 HB ILE 14 -2.400 -6.234 -3.358 81 2HG1 ILE 14 2HG1 ILE 14 -4.398 -5.054 -2.234 82 1HG2 ILE 14 1HG2 ILE 14 -1.824 -7.938 -1.836 83 2HG2 ILE 14 2HG2 ILE 14 -0.519 -6.733 -1.722 84 3HG2 ILE 14 3HG2 ILE 14 -1.772 -6.808 -0.460 85 1HD1 ILE 14 1HD1 ILE 14 -4.568 -7.980 -1.641 86 2HD1 ILE 14 2HD1 ILE 14 -5.642 -6.952 -2.621 87 3HD1 ILE 14 3HD1 ILE 14 -4.107 -7.542 -3.303 88 H LYS 15 H LYS 15 -0.657 -4.598 -4.517 89 HA LYS 15 HA LYS 15 1.916 -5.259 -3.650 90 2HB LYS 15 2HB LYS 15 0.691 -5.356 -6.005 91 2HG LYS 15 2HG LYS 15 0.764 -2.771 -6.120 92 2HD LYS 15 2HD LYS 15 3.644 -3.441 -5.944 93 2HE LYS 15 2HE LYS 15 3.832 -1.221 -7.567 94 1HZ LYS 15 1HZ LYS 15 4.957 -3.510 -7.578 95 2HZ LYS 15 2HZ LYS 15 3.895 -3.872 -8.765 96 3HZ LYS 15 3HZ LYS 15 4.939 -2.631 -8.954 97 H GLN 16 H GLN 16 0.343 -2.103 -4.430 98 HA GLN 16 HA GLN 16 2.562 -0.535 -4.261 99 2HB GLN 16 2HB GLN 16 0.682 1.143 -3.247 100 2HG GLN 16 2HG GLN 16 0.479 0.067 -6.091 101 1HE2 GLN 16 1HE2 GLN 16 1.396 2.884 -6.697 102 2HE2 GLN 16 2HE2 GLN 16 -0.015 3.875 -6.541 103 H VAL 17 H VAL 17 1.013 -2.385 -1.766 104 HA VAL 17 HA VAL 17 1.382 -0.900 0.493 105 HB VAL 17 HB VAL 17 1.710 -3.858 -0.019 106 1HG1 VAL 17 1HG1 VAL 17 2.741 -3.820 2.013 107 2HG1 VAL 17 2HG1 VAL 17 1.992 -2.277 2.492 108 3HG1 VAL 17 3HG1 VAL 17 1.054 -3.788 2.584 109 1HG2 VAL 17 1HG2 VAL 17 -0.541 -4.088 0.443 110 2HG2 VAL 17 2HG2 VAL 17 -0.610 -2.592 1.405 111 3HG2 VAL 17 3HG2 VAL 17 -0.524 -2.504 -0.371 112 H LYS 18 H LYS 18 3.790 -3.012 -1.206 113 HA LYS 18 HA LYS 18 5.862 -2.440 0.611 114 2HB LYS 18 2HB LYS 18 5.902 -4.443 -0.727 115 2HG LYS 18 2HG LYS 18 4.782 -3.141 -2.757 116 2HD LYS 18 2HD LYS 18 6.830 -1.631 -3.014 117 2HE LYS 18 2HE LYS 18 8.033 -4.251 -4.028 118 1HZ LYS 18 1HZ LYS 18 9.663 -1.938 -3.956 119 2HZ LYS 18 2HZ LYS 18 9.457 -3.023 -5.159 120 3HZ LYS 18 3HZ LYS 18 8.423 -1.768 -5.006 121 H LYS 19 H LYS 19 4.511 -0.776 -2.209 122 HA LYS 19 HA LYS 19 6.734 0.851 -2.748 123 2HB LYS 19 2HB LYS 19 3.897 0.688 -3.536 124 2HG LYS 19 2HG LYS 19 4.211 3.025 -4.658 125 2HD LYS 19 2HD LYS 19 3.678 4.041 -2.137 126 2HE LYS 19 2HE LYS 19 1.917 2.478 -4.073 127 1HZ LYS 19 1HZ LYS 19 1.057 2.564 -1.754 128 2HZ LYS 19 2HZ LYS 19 0.996 4.191 -1.880 129 3HZ LYS 19 3HZ LYS 19 0.090 3.261 -2.871 130 H LEU 20 H LEU 20 4.363 0.802 -0.175 131 HA LEU 20 HA LEU 20 4.915 3.569 0.517 132 2HB LEU 20 2HB LEU 20 2.656 2.111 0.638 133 HG LEU 20 HG LEU 20 3.603 0.757 2.590 134 1HD1 LEU 20 1HD1 LEU 20 4.526 1.838 4.291 135 2HD1 LEU 20 2HD1 LEU 20 4.046 3.409 3.606 136 3HD1 LEU 20 3HD1 LEU 20 2.934 2.530 4.682 137 1HD2 LEU 20 1HD2 LEU 20 1.312 1.651 3.921 138 2HD2 LEU 20 2HD2 LEU 20 1.005 1.979 2.199 139 3HD2 LEU 20 3HD2 LEU 20 1.426 0.333 2.730 140 H PHE 21 H PHE 21 6.128 0.383 1.084 141 HA PHE 21 HA PHE 21 7.087 0.931 3.730 142 2HB PHE 21 2HB PHE 21 8.496 -1.242 2.603 143 HD1 PHE 21 1HD PHE 21 8.453 -1.655 5.024 144 HD2 PHE 21 2HD PHE 21 4.905 -1.831 2.702 145 HE1 PHE 21 1HE PHE 21 7.293 -2.869 6.889 146 HE2 PHE 21 2HE PHE 21 3.745 -3.046 4.567 147 HZ PHE 21 HZ PHE 21 4.953 -3.551 6.638 148 H LYS 22 H LYS 22 8.109 1.600 0.466 149 HA LYS 22 HA LYS 22 10.818 1.408 0.564 150 2HB LYS 22 2HB LYS 22 9.109 2.268 -1.264 151 2HG LYS 22 2HG LYS 22 9.479 4.717 -1.659 152 2HD LYS 22 2HD LYS 22 8.360 4.960 1.028 153 2HE LYS 22 2HE LYS 22 6.237 5.294 -0.376 154 1HZ LYS 22 1HZ LYS 22 8.174 6.965 0.081 155 2HZ LYS 22 2HZ LYS 22 8.326 6.917 -1.544 156 3HZ LYS 22 3HZ LYS 22 6.909 7.371 -0.869 157 H LYS 23 H LYS 23 8.704 3.525 2.411 158 HA LYS 23 HA LYS 23 10.999 5.133 3.236 159 2HB LYS 23 2HB LYS 23 9.127 6.450 2.575 160 2HG LYS 23 2HG LYS 23 7.600 4.290 3.823 161 2HD LYS 23 2HD LYS 23 7.519 6.215 5.609 162 2HE LYS 23 2HE LYS 23 5.288 7.562 4.566 163 1HZ LYS 23 1HZ LYS 23 7.709 8.962 4.198 164 2HZ LYS 23 2HZ LYS 23 6.521 9.223 5.288 165 3HZ LYS 23 3HZ LYS 23 7.716 8.162 5.621 166 H TRP 24 H TRP 24 8.644 2.691 4.334 167 HA TRP 24 HA TRP 24 9.203 2.923 7.079 168 2HB TRP 24 2HB TRP 24 8.223 0.616 7.168 169 HD1 TRP 24 HD TRP 24 7.246 4.031 5.934 170 HE1 TRP 24 1HE TRP 24 4.679 4.538 6.273 171 HE3 TRP 24 3HE TRP 24 5.914 -0.745 7.063 172 HZ2 TRP 24 2HZ TRP 24 2.429 2.922 6.960 173 HZ3 TRP 24 3HZ TRP 24 3.512 -1.195 7.555 174 HH2 TRP 24 HH TRP 24 1.796 0.545 7.517 175 H GLY 25 H GLY 25 11.350 2.876 7.711 176 1HA GLY 25 1HA GLY 25 13.355 1.381 6.420 177 2HA GLY 25 2HA GLY 25 13.446 2.117 8.007 178 H TRP 26 H TRP 26 14.759 -0.233 7.794 179 HA TRP 26 HA TRP 26 13.344 -1.886 9.628 180 2HB TRP 26 2HB TRP 26 13.805 -2.950 6.836 181 HD1 TRP 26 HD TRP 26 14.507 -4.197 10.117 182 HE1 TRP 26 1HE TRP 26 14.045 -6.770 10.477 183 HE3 TRP 26 3HE TRP 26 11.573 -4.783 6.006 184 HZ2 TRP 26 2HZ TRP 26 12.539 -8.718 9.034 185 HZ3 TRP 26 3HZ TRP 26 10.646 -7.052 5.554 186 HH2 TRP 26 HH TRP 26 11.087 -8.981 6.989 Start of MODEL 19 1 1H LYS 1 H LYS 1 -5.822 3.421 11.453 2 HA LYS 1 HA LYS 1 -3.644 1.674 11.604 3 2HB LYS 1 2HB LYS 1 -5.239 -0.212 12.670 4 2HG LYS 1 2HG LYS 1 -3.981 1.320 14.830 5 2HD LYS 1 2HD LYS 1 -3.135 -1.234 13.382 6 2HE LYS 1 2HE LYS 1 -2.620 -0.499 16.283 7 1HZ LYS 1 1HZ LYS 1 -2.271 -2.752 15.556 8 2HZ LYS 1 2HZ LYS 1 -1.279 -2.265 14.354 9 3HZ LYS 1 3HZ LYS 1 -0.835 -2.059 15.912 10 H SER 2 H SER 2 -3.630 1.143 9.489 11 HA SER 2 HA SER 2 -4.329 0.669 7.481 12 2HB SER 2 2HB SER 2 -5.747 -1.295 7.249 13 HG SER 2 HG SER 2 -3.786 -1.882 8.210 14 H SER 3 H SER 3 -5.126 2.702 6.753 15 HA SER 3 HA SER 3 -8.018 2.789 6.634 16 2HB SER 3 2HB SER 3 -6.601 5.399 7.085 17 HG SER 3 HG SER 3 -8.570 5.969 7.970 18 H ALA 4 H ALA 4 -7.929 2.235 4.404 19 HA ALA 4 HA ALA 4 -6.127 3.562 2.641 20 1HB ALA 4 1HB ALA 4 -6.756 1.902 1.245 21 2HB ALA 4 2HB ALA 4 -7.662 1.239 2.626 22 3HB ALA 4 3HB ALA 4 -8.483 2.282 1.440 23 H TYR 5 H TYR 5 -6.882 4.875 0.739 24 HA TYR 5 HA TYR 5 -9.109 6.609 1.572 25 2HB TYR 5 2HB TYR 5 -7.748 8.297 0.170 26 HD1 TYR 5 1HD TYR 5 -7.670 9.707 2.056 27 HD2 TYR 5 2HD TYR 5 -5.379 6.094 2.036 28 HE1 TYR 5 1HE TYR 5 -6.509 10.422 4.202 29 HE2 TYR 5 2HE TYR 5 -4.225 6.822 4.182 30 HH TYR 5 HH TYR 5 -4.335 8.236 5.890 31 H SER 6 H SER 6 -7.824 4.443 -0.844 32 HA SER 6 HA SER 6 -10.028 4.077 -2.225 33 2HB SER 6 2HB SER 6 -9.283 5.686 -4.335 34 HG SER 6 HG SER 6 -11.407 5.412 -2.905 35 H LEU 7 H LEU 7 -6.543 4.647 -2.241 36 HA LEU 7 HA LEU 7 -6.011 3.212 -4.634 37 2HB LEU 7 2HB LEU 7 -4.517 4.578 -2.513 38 HG LEU 7 HG LEU 7 -3.506 2.220 -2.494 39 1HD1 LEU 7 1HD1 LEU 7 -3.629 1.589 -4.774 40 2HD1 LEU 7 2HD1 LEU 7 -2.795 3.069 -5.306 41 3HD1 LEU 7 3HD1 LEU 7 -1.903 1.820 -4.405 42 1HD2 LEU 7 1HD2 LEU 7 -1.948 3.500 -1.545 43 2HD2 LEU 7 2HD2 LEU 7 -1.144 3.513 -3.133 44 3HD2 LEU 7 3HD2 LEU 7 -2.238 4.842 -2.679 45 H GLN 8 H GLN 8 -6.243 2.421 -1.142 46 HA GLN 8 HA GLN 8 -5.703 -0.346 -1.868 47 2HB GLN 8 2HB GLN 8 -5.839 -0.139 0.950 48 2HG GLN 8 2HG GLN 8 -4.131 -1.199 -0.915 49 1HE2 GLN 8 1HE2 GLN 8 -2.633 -0.482 -2.206 50 2HE2 GLN 8 2HE2 GLN 8 -1.489 0.781 -1.900 51 H MET 9 H MET 9 -7.451 -1.669 -2.090 52 HA MET 9 HA MET 9 -9.533 -1.584 -0.188 53 2HB MET 9 2HB MET 9 -11.263 -1.245 -2.215 54 2HG MET 9 2HG MET 9 -10.022 1.376 -1.511 55 1HE MET 9 1HE MET 9 -11.398 1.660 -3.445 56 2HE MET 9 2HE MET 9 -13.174 1.773 -3.481 57 3HE MET 9 3HE MET 9 -12.220 3.012 -2.631 58 H GLY 10 H GLY 10 -8.649 -2.542 -3.576 59 1HA GLY 10 1HA GLY 10 -10.144 -4.738 -3.997 60 2HA GLY 10 2HA GLY 10 -8.463 -4.611 -4.477 61 H ALA 11 H ALA 11 -6.795 -5.601 -3.209 62 HA ALA 11 HA ALA 11 -7.193 -6.710 -0.694 63 1HB ALA 11 1HB ALA 11 -8.355 -8.244 -2.868 64 2HB ALA 11 2HB ALA 11 -7.035 -9.156 -2.101 65 3HB ALA 11 3HB ALA 11 -8.394 -8.562 -1.118 66 H THR 12 H THR 12 -5.726 -7.577 -3.910 67 HA THR 12 HA THR 12 -3.294 -8.451 -2.849 68 HB THR 12 HB THR 12 -2.552 -8.146 -5.244 69 HG1 THR 12 1HG THR 12 -3.934 -6.896 -6.555 70 1HG2 THR 12 1HG2 THR 12 -4.939 -9.132 -6.212 71 2HG2 THR 12 2HG2 THR 12 -3.729 -10.135 -5.376 72 3HG2 THR 12 3HG2 THR 12 -5.118 -9.479 -4.475 73 H ALA 13 H ALA 13 -4.273 -5.198 -4.093 74 HA ALA 13 HA ALA 13 -1.944 -3.878 -3.987 75 1HB ALA 13 1HB ALA 13 -3.680 -2.079 -2.799 76 2HB ALA 13 2HB ALA 13 -3.559 -2.395 -4.547 77 3HB ALA 13 3HB ALA 13 -4.790 -3.234 -3.573 78 H ILE 14 H ILE 14 -4.059 -4.654 -1.150 79 HA ILE 14 HA ILE 14 -2.798 -3.366 0.832 80 HB ILE 14 HB ILE 14 -3.796 -6.216 0.880 81 2HG1 ILE 14 2HG1 ILE 14 -5.882 -5.087 1.782 82 1HG2 ILE 14 1HG2 ILE 14 -4.170 -5.811 3.289 83 2HG2 ILE 14 2HG2 ILE 14 -2.448 -5.775 2.840 84 3HG2 ILE 14 3HG2 ILE 14 -3.321 -4.253 3.140 85 1HD1 ILE 14 1HD1 ILE 14 -6.168 -2.801 1.650 86 2HD1 ILE 14 2HD1 ILE 14 -4.406 -2.812 1.892 87 3HD1 ILE 14 3HD1 ILE 14 -5.077 -2.640 0.253 88 H LYS 15 H LYS 15 -1.700 -6.422 -0.746 89 HA LYS 15 HA LYS 15 0.489 -6.837 0.934 90 2HB LYS 15 2HB LYS 15 0.106 -7.656 -1.962 91 2HG LYS 15 2HG LYS 15 1.531 -9.633 -1.073 92 2HD LYS 15 2HD LYS 15 3.199 -7.129 -1.018 93 2HE LYS 15 2HE LYS 15 3.663 -9.850 -1.508 94 1HZ LYS 15 1HZ LYS 15 3.915 -10.128 -3.716 95 2HZ LYS 15 2HZ LYS 15 2.649 -9.097 -3.776 96 3HZ LYS 15 3HZ LYS 15 4.164 -8.548 -4.041 97 H GLN 16 H GLN 16 0.154 -5.053 -2.196 98 HA GLN 16 HA GLN 16 2.771 -4.443 -2.563 99 2HB GLN 16 2HB GLN 16 1.738 -2.252 -3.623 100 2HG GLN 16 2HG GLN 16 2.386 -4.090 -5.052 101 1HE2 GLN 16 1HE2 GLN 16 2.799 -6.137 -4.762 102 2HE2 GLN 16 2HE2 GLN 16 1.678 -7.388 -4.337 103 H VAL 17 H VAL 17 0.654 -3.410 -0.009 104 HA VAL 17 HA VAL 17 1.524 -0.900 0.606 105 HB VAL 17 HB VAL 17 0.786 -3.235 2.374 106 1HG1 VAL 17 1HG1 VAL 17 1.647 -0.480 3.069 107 2HG1 VAL 17 2HG1 VAL 17 0.183 -1.074 3.889 108 3HG1 VAL 17 3HG1 VAL 17 1.709 -1.981 4.024 109 1HG2 VAL 17 1HG2 VAL 17 -0.836 -2.146 0.632 110 2HG2 VAL 17 2HG2 VAL 17 -1.405 -2.477 2.285 111 3HG2 VAL 17 3HG2 VAL 17 -0.929 -0.826 1.822 112 H LYS 18 H LYS 18 3.021 -4.063 1.566 113 HA LYS 18 HA LYS 18 5.163 -2.854 2.930 114 2HB LYS 18 2HB LYS 18 4.487 -5.112 3.427 115 2HG LYS 18 2HG LYS 18 3.906 -5.531 0.868 116 2HD LYS 18 2HD LYS 18 6.353 -5.257 0.186 117 2HE LYS 18 2HE LYS 18 6.533 -7.821 1.816 118 1HZ LYS 18 1HZ LYS 18 7.448 -7.879 -0.564 119 2HZ LYS 18 2HZ LYS 18 8.638 -6.924 0.018 120 3HZ LYS 18 3HZ LYS 18 8.393 -8.406 0.660 121 H LYS 19 H LYS 19 4.491 -3.566 -0.472 122 HA LYS 19 HA LYS 19 7.155 -3.466 -1.366 123 2HB LYS 19 2HB LYS 19 4.445 -3.474 -2.551 124 2HG LYS 19 2HG LYS 19 5.636 -2.999 -4.835 125 2HD LYS 19 2HD LYS 19 5.495 -0.343 -4.056 126 2HE LYS 19 2HE LYS 19 3.332 -2.352 -4.799 127 1HZ LYS 19 1HZ LYS 19 1.865 -0.574 -5.024 128 2HZ LYS 19 2HZ LYS 19 2.492 -0.392 -3.526 129 3HZ LYS 19 3HZ LYS 19 3.009 0.560 -4.749 130 H LEU 20 H LEU 20 4.884 -1.041 -0.263 131 HA LEU 20 HA LEU 20 6.373 1.083 -1.569 132 2HB LEU 20 2HB LEU 20 3.736 0.763 -1.072 133 HG LEU 20 HG LEU 20 4.146 1.218 1.414 134 1HD1 LEU 20 1HD1 LEU 20 4.111 4.023 1.368 135 2HD1 LEU 20 2HD1 LEU 20 5.408 2.959 1.959 136 3HD1 LEU 20 3HD1 LEU 20 5.432 3.541 0.278 137 1HD2 LEU 20 1HD2 LEU 20 2.124 2.193 -0.402 138 2HD2 LEU 20 2HD2 LEU 20 1.959 1.561 1.254 139 3HD2 LEU 20 3HD2 LEU 20 2.297 3.289 0.990 140 H PHE 21 H PHE 21 6.436 -0.792 1.311 141 HA PHE 21 HA PHE 21 7.470 1.318 2.968 142 2HB PHE 21 2HB PHE 21 8.024 -1.217 4.099 143 HD1 PHE 21 1HD PHE 21 4.475 -0.451 3.563 144 HD2 PHE 21 2HD PHE 21 7.840 0.143 6.080 145 HE1 PHE 21 1HE PHE 21 2.973 0.458 5.357 146 HE2 PHE 21 2HE PHE 21 6.338 1.052 7.873 147 HZ PHE 21 HZ PHE 21 3.922 1.199 7.491 148 H LYS 22 H LYS 22 8.693 -0.919 0.600 149 HA LYS 22 HA LYS 22 11.192 -1.508 1.598 150 2HB LYS 22 2HB LYS 22 9.824 -2.076 -0.674 151 2HG LYS 22 2HG LYS 22 11.511 -1.274 -2.493 152 2HD LYS 22 2HD LYS 22 9.281 0.289 -1.222 153 2HE LYS 22 2HE LYS 22 11.366 1.781 -2.182 154 1HZ LYS 22 1HZ LYS 22 9.667 1.958 -4.460 155 2HZ LYS 22 2HZ LYS 22 11.298 1.982 -4.374 156 3HZ LYS 22 3HZ LYS 22 10.503 0.556 -4.398 157 H LYS 23 H LYS 23 9.820 1.556 0.690 158 HA LYS 23 HA LYS 23 12.451 2.742 0.322 159 2HB LYS 23 2HB LYS 23 10.919 3.492 -1.293 160 2HG LYS 23 2HG LYS 23 8.987 3.425 0.996 161 2HD LYS 23 2HD LYS 23 9.262 5.755 -0.774 162 2HE LYS 23 2HE LYS 23 6.509 5.593 -0.835 163 1HZ LYS 23 1HZ LYS 23 7.419 4.521 -3.192 164 2HZ LYS 23 2HZ LYS 23 7.113 6.094 -2.875 165 3HZ LYS 23 3HZ LYS 23 8.618 5.497 -2.664 166 H TRP 24 H TRP 24 9.697 2.597 2.604 167 HA TRP 24 HA TRP 24 10.622 4.664 4.282 168 2HB TRP 24 2HB TRP 24 9.028 3.764 5.895 169 HD1 TRP 24 HD TRP 24 8.956 4.933 2.409 170 HE1 TRP 24 1HE TRP 24 6.594 5.810 1.625 171 HE3 TRP 24 3HE TRP 24 6.341 2.943 6.290 172 HZ2 TRP 24 2HZ TRP 24 3.957 5.579 2.690 173 HZ3 TRP 24 3HZ TRP 24 3.877 3.315 6.344 174 HH2 TRP 24 HH TRP 24 2.685 4.582 4.626 175 H GLY 25 H GLY 25 11.344 4.186 6.633 176 1HA GLY 25 1HA GLY 25 12.349 2.255 7.926 177 2HA GLY 25 2HA GLY 25 13.406 2.073 6.540 178 H TRP 26 H TRP 26 15.127 3.536 6.181 179 HA TRP 26 HA TRP 26 15.659 5.277 8.469 180 2HB TRP 26 2HB TRP 26 17.730 4.798 6.409 181 HD1 TRP 26 HD TRP 26 17.012 4.413 10.245 182 HE1 TRP 26 1HE TRP 26 19.035 5.353 11.654 183 HE3 TRP 26 3HE TRP 26 19.900 5.652 6.249 184 HZ2 TRP 26 2HZ TRP 26 21.559 6.486 10.955 185 HZ3 TRP 26 3HZ TRP 26 22.130 6.671 6.699 186 HH2 TRP 26 HH TRP 26 22.972 7.091 8.955 Start of MODEL 20 1 1H LYS 1 H LYS 1 -2.628 12.070 1.078 2 HA LYS 1 HA LYS 1 -1.731 14.098 2.188 3 2HB LYS 1 2HB LYS 1 -4.230 13.884 3.609 4 2HG LYS 1 2HG LYS 1 -4.893 15.421 1.624 5 2HD LYS 1 2HD LYS 1 -2.590 15.969 3.527 6 2HE LYS 1 2HE LYS 1 -2.320 17.387 1.438 7 1HZ LYS 1 1HZ LYS 1 -5.067 17.658 1.791 8 2HZ LYS 1 2HZ LYS 1 -4.392 19.137 1.937 9 3HZ LYS 1 3HZ LYS 1 -4.138 18.253 0.588 10 H SER 2 H SER 2 -3.317 11.822 4.543 11 HA SER 2 HA SER 2 -1.783 13.031 6.631 12 2HB SER 2 2HB SER 2 -3.605 10.599 6.823 13 HG SER 2 HG SER 2 -3.420 10.900 8.934 14 H SER 3 H SER 3 -2.230 9.671 5.292 15 HA SER 3 HA SER 3 0.562 9.221 5.487 16 2HB SER 3 2HB SER 3 -1.188 7.405 7.185 17 HG SER 3 HG SER 3 0.662 6.345 7.289 18 H ALA 4 H ALA 4 -2.436 7.159 5.695 19 HA ALA 4 HA ALA 4 -2.736 6.602 3.044 20 1HB ALA 4 1HB ALA 4 -0.810 5.504 2.544 21 2HB ALA 4 2HB ALA 4 -0.429 5.193 4.254 22 3HB ALA 4 3HB ALA 4 -1.574 4.139 3.391 23 H TYR 5 H TYR 5 -4.781 5.821 3.012 24 HA TYR 5 HA TYR 5 -5.540 3.990 5.182 25 2HB TYR 5 2HB TYR 5 -7.849 5.374 4.518 26 HD1 TYR 5 1HD TYR 5 -4.718 6.705 6.127 27 HD2 TYR 5 2HD TYR 5 -8.827 5.608 6.599 28 HE1 TYR 5 1HE TYR 5 -4.619 7.366 8.580 29 HE2 TYR 5 2HE TYR 5 -8.714 6.273 9.051 30 HH TYR 5 HH TYR 5 -5.761 7.699 10.398 31 H SER 6 H SER 6 -4.932 2.392 3.419 32 HA SER 6 HA SER 6 -6.864 2.350 1.271 33 2HB SER 6 2HB SER 6 -4.488 0.511 1.801 34 HG SER 6 HG SER 6 -5.600 -0.548 0.248 35 H LEU 7 H LEU 7 -8.193 0.423 0.854 36 HA LEU 7 HA LEU 7 -8.906 -0.896 3.348 37 2HB LEU 7 2HB LEU 7 -10.786 0.011 2.384 38 HG LEU 7 HG LEU 7 -9.552 -0.626 -0.235 39 1HD1 LEU 7 1HD1 LEU 7 -12.198 -0.342 -0.969 40 2HD1 LEU 7 2HD1 LEU 7 -11.252 -1.848 -1.005 41 3HD1 LEU 7 3HD1 LEU 7 -12.276 -1.474 0.402 42 1HD2 LEU 7 1HD2 LEU 7 -11.498 1.445 -0.347 43 2HD2 LEU 7 2HD2 LEU 7 -10.579 1.641 1.165 44 3HD2 LEU 7 3HD2 LEU 7 -9.723 1.577 -0.395 45 H GLN 8 H GLN 8 -7.752 -1.569 0.009 46 HA GLN 8 HA GLN 8 -6.757 -3.295 -0.853 47 2HB GLN 8 2HB GLN 8 -6.016 -5.109 1.106 48 2HG GLN 8 2HG GLN 8 -4.815 -2.931 -0.404 49 1HE2 GLN 8 1HE2 GLN 8 -2.861 -1.864 0.032 50 2HE2 GLN 8 2HE2 GLN 8 -2.403 -1.389 1.633 51 H MET 9 H MET 9 -7.815 -4.828 -2.035 52 HA MET 9 HA MET 9 -9.237 -6.892 -0.708 53 2HB MET 9 2HB MET 9 -11.361 -6.230 -2.212 54 2HG MET 9 2HG MET 9 -11.189 -4.348 0.088 55 1HE MET 9 1HE MET 9 -12.478 -7.993 -1.008 56 2HE MET 9 2HE MET 9 -12.316 -7.842 0.758 57 3HE MET 9 3HE MET 9 -13.929 -8.006 0.023 58 H GLY 10 H GLY 10 -8.955 -5.099 -3.859 59 1HA GLY 10 1HA GLY 10 -9.448 -6.965 -5.702 60 2HA GLY 10 2HA GLY 10 -8.112 -5.837 -5.838 61 H ALA 11 H ALA 11 -5.954 -6.481 -5.019 62 HA ALA 11 HA ALA 11 -5.204 -8.788 -3.890 63 1HB ALA 11 1HB ALA 11 -4.607 -10.088 -6.148 64 2HB ALA 11 2HB ALA 11 -6.169 -10.318 -5.324 65 3HB ALA 11 3HB ALA 11 -6.056 -9.235 -6.731 66 H THR 12 H THR 12 -4.700 -6.724 -6.801 67 HA THR 12 HA THR 12 -1.862 -6.970 -6.717 68 HB THR 12 HB THR 12 -3.800 -5.038 -8.092 69 HG1 THR 12 1HG THR 12 -3.663 -6.654 -9.657 70 1HG2 THR 12 1HG2 THR 12 -1.069 -5.624 -9.185 71 2HG2 THR 12 2HG2 THR 12 -2.026 -4.128 -9.283 72 3HG2 THR 12 3HG2 THR 12 -1.126 -4.513 -7.797 73 H ALA 13 H ALA 13 -4.202 -4.432 -5.632 74 HA ALA 13 HA ALA 13 -2.508 -2.512 -4.812 75 1HB ALA 13 1HB ALA 13 -4.321 -2.574 -2.744 76 2HB ALA 13 2HB ALA 13 -4.634 -1.869 -4.348 77 3HB ALA 13 3HB ALA 13 -5.161 -3.530 -3.989 78 H ILE 14 H ILE 14 -3.305 -5.572 -3.054 79 HA ILE 14 HA ILE 14 -2.083 -5.183 -0.698 80 HB ILE 14 HB ILE 14 -2.346 -7.552 -2.495 81 2HG1 ILE 14 2HG1 ILE 14 -3.502 -6.671 0.152 82 1HG2 ILE 14 1HG2 ILE 14 -1.392 -9.004 -0.747 83 2HG2 ILE 14 2HG2 ILE 14 -0.181 -7.917 -1.466 84 3HG2 ILE 14 3HG2 ILE 14 -0.854 -7.560 0.142 85 1HD1 ILE 14 1HD1 ILE 14 -4.845 -5.812 -1.571 86 2HD1 ILE 14 2HD1 ILE 14 -4.491 -7.174 -2.661 87 3HD1 ILE 14 3HD1 ILE 14 -5.600 -7.400 -1.287 88 H LYS 15 H LYS 15 -0.459 -5.993 -3.823 89 HA LYS 15 HA LYS 15 2.114 -6.165 -2.745 90 2HB LYS 15 2HB LYS 15 1.056 -6.804 -5.102 91 2HG LYS 15 2HG LYS 15 0.848 -4.286 -5.661 92 2HD LYS 15 2HD LYS 15 3.765 -4.557 -5.228 93 2HE LYS 15 2HE LYS 15 2.804 -4.061 -7.929 94 1HZ LYS 15 1HZ LYS 15 2.723 -1.799 -7.417 95 2HZ LYS 15 2HZ LYS 15 4.086 -1.835 -6.519 96 3HZ LYS 15 3HZ LYS 15 4.173 -2.006 -8.140 97 H GLN 16 H GLN 16 0.231 -3.412 -4.132 98 HA GLN 16 HA GLN 16 2.232 -1.566 -4.143 99 2HB GLN 16 2HB GLN 16 0.104 0.003 -3.518 100 2HG GLN 16 2HG GLN 16 0.137 -1.533 -6.143 101 1HE2 GLN 16 1HE2 GLN 16 0.337 0.455 -7.821 102 2HE2 GLN 16 2HE2 GLN 16 -0.916 1.638 -7.646 103 H VAL 17 H VAL 17 0.761 -3.158 -1.433 104 HA VAL 17 HA VAL 17 0.803 -1.281 0.547 105 HB VAL 17 HB VAL 17 1.513 -4.216 0.569 106 1HG1 VAL 17 1HG1 VAL 17 1.434 -2.218 2.783 107 2HG1 VAL 17 2HG1 VAL 17 0.707 -3.813 3.091 108 3HG1 VAL 17 3HG1 VAL 17 2.415 -3.692 2.600 109 1HG2 VAL 17 1HG2 VAL 17 -1.025 -3.007 1.637 110 2HG2 VAL 17 2HG2 VAL 17 -0.834 -3.270 -0.114 111 3HG2 VAL 17 3HG2 VAL 17 -0.721 -4.646 1.011 112 H LYS 18 H LYS 18 3.551 -3.320 -0.650 113 HA LYS 18 HA LYS 18 5.418 -2.185 1.125 114 2HB LYS 18 2HB LYS 18 5.787 -4.362 0.164 115 2HG LYS 18 2HG LYS 18 4.644 -3.589 -2.106 116 2HD LYS 18 2HD LYS 18 6.529 -1.886 -2.516 117 2HE LYS 18 2HE LYS 18 8.370 -3.536 -1.837 118 1HZ LYS 18 1HZ LYS 18 8.976 -5.151 -3.351 119 2HZ LYS 18 2HZ LYS 18 7.351 -5.304 -3.301 120 3HZ LYS 18 3HZ LYS 18 8.061 -4.547 -4.562 121 H LYS 19 H LYS 19 4.055 -1.206 -1.993 122 HA LYS 19 HA LYS 19 6.101 0.582 -2.710 123 2HB LYS 19 2HB LYS 19 3.364 -0.084 -3.589 124 2HG LYS 19 2HG LYS 19 3.468 2.051 -5.088 125 2HD LYS 19 2HD LYS 19 2.641 3.401 -2.820 126 2HE LYS 19 2HE LYS 19 0.390 2.108 -3.280 127 1HZ LYS 19 1HZ LYS 19 1.634 3.426 -5.580 128 2HZ LYS 19 2HZ LYS 19 0.061 3.442 -5.137 129 3HZ LYS 19 3HZ LYS 19 1.166 4.263 -4.258 130 H LEU 20 H LEU 20 3.575 0.657 -0.288 131 HA LEU 20 HA LEU 20 3.753 3.550 -0.062 132 2HB LEU 20 2HB LEU 20 1.672 1.853 0.192 133 HG LEU 20 HG LEU 20 2.611 1.005 2.414 134 1HD1 LEU 20 1HD1 LEU 20 1.623 2.954 4.147 135 2HD1 LEU 20 2HD1 LEU 20 3.329 2.532 3.861 136 3HD1 LEU 20 3HD1 LEU 20 2.574 3.859 2.945 137 1HD2 LEU 20 1HD2 LEU 20 0.479 0.347 2.402 138 2HD2 LEU 20 2HD2 LEU 20 0.173 1.736 3.472 139 3HD2 LEU 20 3HD2 LEU 20 -0.092 1.888 1.718 140 H PHE 21 H PHE 21 5.314 0.704 1.080 141 HA PHE 21 HA PHE 21 5.963 1.737 3.668 142 2HB PHE 21 2HB PHE 21 7.781 -0.303 2.913 143 HD1 PHE 21 1HD PHE 21 7.754 -0.584 5.304 144 HD2 PHE 21 2HD PHE 21 4.238 -1.259 3.026 145 HE1 PHE 21 1HE PHE 21 6.692 -1.715 7.277 146 HE2 PHE 21 2HE PHE 21 3.177 -2.390 4.999 147 HZ PHE 21 HZ PHE 21 4.417 -2.606 7.101 148 H LYS 22 H LYS 22 7.150 2.145 0.417 149 HA LYS 22 HA LYS 22 9.853 2.453 0.817 150 2HB LYS 22 2HB LYS 22 8.190 2.636 -1.301 151 2HG LYS 22 2HG LYS 22 8.736 5.052 -2.162 152 2HD LYS 22 2HD LYS 22 6.559 4.188 -0.272 153 2HE LYS 22 2HE LYS 22 7.414 6.838 -0.168 154 1HZ LYS 22 1HZ LYS 22 5.943 8.058 -1.469 155 2HZ LYS 22 2HZ LYS 22 6.573 6.964 -2.506 156 3HZ LYS 22 3HZ LYS 22 5.066 6.755 -1.914 157 H LYS 23 H LYS 23 7.194 4.330 2.053 158 HA LYS 23 HA LYS 23 8.939 6.604 2.576 159 2HB LYS 23 2HB LYS 23 6.807 7.198 1.679 160 2HG LYS 23 2HG LYS 23 5.858 5.054 3.480 161 2HD LYS 23 2HD LYS 23 5.059 7.508 4.375 162 2HE LYS 23 2HE LYS 23 2.511 7.032 3.150 163 1HZ LYS 23 1HZ LYS 23 3.475 9.118 3.988 164 2HZ LYS 23 2HZ LYS 23 4.412 9.213 2.654 165 3HZ LYS 23 3HZ LYS 23 2.786 9.276 2.517 166 H TRP 24 H TRP 24 7.255 3.876 4.143 167 HA TRP 24 HA TRP 24 7.666 4.779 6.788 168 2HB TRP 24 2HB TRP 24 7.182 2.406 7.370 169 HD1 TRP 24 HD TRP 24 5.565 5.278 5.728 170 HE1 TRP 24 1HE TRP 24 2.929 5.210 5.812 171 HE3 TRP 24 3HE TRP 24 5.212 0.394 7.100 172 HZ2 TRP 24 2HZ TRP 24 1.034 3.167 6.429 173 HZ3 TRP 24 3HZ TRP 24 2.931 -0.558 7.423 174 HH2 TRP 24 HH TRP 24 0.887 0.744 7.110 175 H GLY 25 H GLY 25 9.290 2.164 4.831 176 1HA GLY 25 1HA GLY 25 11.523 1.723 4.655 177 2HA GLY 25 2HA GLY 25 11.885 2.997 5.800 178 H TRP 26 H TRP 26 13.417 1.055 6.438 179 HA TRP 26 HA TRP 26 13.956 -0.582 7.839 180 2HB TRP 26 2HB TRP 26 11.765 0.588 9.562 181 HD1 TRP 26 HD TRP 26 14.842 -1.738 9.510 182 HE1 TRP 26 1HE TRP 26 15.193 -2.911 11.848 183 HE3 TRP 26 3HE TRP 26 11.289 0.938 11.975 184 HZ2 TRP 26 2HZ TRP 26 13.971 -2.595 14.408 185 HZ3 TRP 26 3HZ TRP 26 10.932 0.443 14.392 186 HH2 TRP 26 HH TRP 26 12.204 -1.254 15.606
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