NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2771 | 1ckx | 4596 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 20.374 4.764 -3.684 2 2H MET 1 2H MET 1 18.933 5.331 -4.384 3 3H MET 1 3H MET 1 20.202 6.411 -4.051 4 HA MET 1 HA MET 1 19.876 6.263 -1.729 5 1HB MET 1 1HB MET 1 17.865 6.956 -3.649 6 2HB MET 1 2HB MET 1 17.062 6.319 -2.213 7 1HG MET 1 1HG MET 1 19.127 7.971 -1.245 8 2HG MET 1 2HG MET 1 18.390 8.867 -2.574 9 1HE MET 1 1HE MET 1 18.517 8.183 0.875 10 2HE MET 1 2HE MET 1 18.256 9.887 0.512 11 3HE MET 1 3HE MET 1 17.099 9.022 1.520 12 HA PRO 2 HA PRO 2 18.834 2.041 -0.640 13 1HB PRO 2 1HB PRO 2 19.565 2.260 1.989 14 2HB PRO 2 2HB PRO 2 20.739 2.037 0.676 15 1HG PRO 2 1HG PRO 2 19.984 4.512 2.140 16 2HG PRO 2 2HG PRO 2 21.567 3.990 1.545 17 1HD PRO 2 1HD PRO 2 20.002 5.851 0.289 18 2HD PRO 2 2HD PRO 2 21.206 4.843 -0.543 19 H GLY 3 H GLY 3 16.524 3.009 -0.990 20 1HA GLY 3 1HA GLY 3 15.172 3.167 1.674 21 2HA GLY 3 2HA GLY 3 14.683 4.207 0.334 22 H THR 4 H THR 4 15.682 0.927 -0.283 23 HA THR 4 HA THR 4 13.343 0.260 -1.729 24 HB THR 4 HB THR 4 15.767 -0.908 -1.376 25 HG1 THR 4 HG1 THR 4 14.531 -1.343 -3.130 26 1HG2 THR 4 1HG2 THR 4 13.798 -2.585 0.203 27 2HG2 THR 4 2HG2 THR 4 15.350 -3.175 -0.390 28 3HG2 THR 4 3HG2 THR 4 15.299 -1.872 0.795 29 H ILE 5 H ILE 5 14.242 -0.580 1.612 30 HA ILE 5 HA ILE 5 11.761 -1.909 2.209 31 HB ILE 5 HB ILE 5 13.813 -0.613 4.023 32 1HG1 ILE 5 1HG1 ILE 5 14.724 -2.468 2.750 33 2HG1 ILE 5 2HG1 ILE 5 14.437 -3.023 4.400 34 1HG2 ILE 5 1HG2 ILE 5 11.174 -1.602 4.592 35 2HG2 ILE 5 2HG2 ILE 5 12.363 -2.679 5.326 36 3HG2 ILE 5 3HG2 ILE 5 12.372 -0.959 5.715 37 1HD1 ILE 5 1HD1 ILE 5 12.014 -3.513 3.145 38 2HD1 ILE 5 2HD1 ILE 5 13.198 -3.911 1.899 39 3HD1 ILE 5 3HD1 ILE 5 13.262 -4.717 3.467 40 H LYS 6 H LYS 6 12.909 1.410 2.892 41 HA LYS 6 HA LYS 6 10.762 2.422 4.329 42 1HB LYS 6 1HB LYS 6 12.649 3.845 3.788 43 2HB LYS 6 2HB LYS 6 12.287 3.743 2.065 44 1HG LYS 6 1HG LYS 6 11.406 5.843 2.799 45 2HG LYS 6 2HG LYS 6 10.018 4.771 2.611 46 1HD LYS 6 1HD LYS 6 10.440 4.211 5.135 47 2HD LYS 6 2HD LYS 6 11.334 5.732 5.138 48 1HE LYS 6 1HE LYS 6 9.379 6.968 4.420 49 2HE LYS 6 2HE LYS 6 8.470 5.466 4.155 50 1HZ LYS 6 1HZ LYS 6 9.733 5.910 6.767 51 2HZ LYS 6 2HZ LYS 6 8.291 6.739 6.423 52 3HZ LYS 6 3HZ LYS 6 8.323 5.043 6.385 53 H GLU 7 H GLU 7 10.903 1.686 0.887 54 HA GLU 7 HA GLU 7 8.373 2.890 0.214 55 1HB GLU 7 1HB GLU 7 9.629 0.487 -1.137 56 2HB GLU 7 2HB GLU 7 8.536 1.674 -1.847 57 1HG GLU 7 1HG GLU 7 10.636 3.204 -0.829 58 2HG GLU 7 2HG GLU 7 11.430 1.796 -1.532 59 H ASN 8 H ASN 8 9.314 -0.451 1.055 60 HA ASN 8 HA ASN 8 6.757 -1.628 0.878 61 1HB ASN 8 1HB ASN 8 8.571 -3.098 1.203 62 2HB ASN 8 2HB ASN 8 9.133 -2.204 2.607 63 1HD2 ASN 8 2HD2 ASN 8 5.903 -3.557 1.732 64 2HD2 ASN 8 1HD2 ASN 8 5.713 -4.423 3.181 65 H ILE 9 H ILE 9 7.943 0.720 3.079 66 HA ILE 9 HA ILE 9 5.911 0.115 5.137 67 HB ILE 9 HB ILE 9 7.611 2.594 5.091 68 1HG1 ILE 9 1HG1 ILE 9 9.073 0.640 4.550 69 2HG1 ILE 9 2HG1 ILE 9 9.431 1.345 6.119 70 1HG2 ILE 9 1HG2 ILE 9 5.758 1.939 6.823 71 2HG2 ILE 9 2HG2 ILE 9 6.973 0.816 7.434 72 3HG2 ILE 9 3HG2 ILE 9 7.304 2.548 7.415 73 1HD1 ILE 9 1HD1 ILE 9 7.392 -0.611 6.497 74 2HD1 ILE 9 2HD1 ILE 9 8.671 -1.345 5.531 75 3HD1 ILE 9 3HD1 ILE 9 9.048 -0.639 7.103 76 H ILE 10 H ILE 10 6.191 1.924 2.263 77 HA ILE 10 HA ILE 10 3.826 3.600 3.045 78 HB ILE 10 HB ILE 10 6.214 4.537 2.170 79 1HG1 ILE 10 1HG1 ILE 10 4.396 5.948 2.939 80 2HG1 ILE 10 2HG1 ILE 10 4.932 6.548 1.369 81 1HG2 ILE 10 1HG2 ILE 10 5.955 3.279 0.003 82 2HG2 ILE 10 2HG2 ILE 10 4.576 4.315 -0.363 83 3HG2 ILE 10 3HG2 ILE 10 6.185 5.017 -0.190 84 1HD1 ILE 10 1HD1 ILE 10 3.046 4.716 0.616 85 2HD1 ILE 10 2HD1 ILE 10 2.363 5.308 2.131 86 3HD1 ILE 10 3HD1 ILE 10 2.724 6.438 0.826 87 H PHE 11 H PHE 11 5.353 1.609 0.626 88 HA PHE 11 HA PHE 11 3.455 1.591 -1.418 89 1HB PHE 11 1HB PHE 11 5.792 0.300 -0.828 90 2HB PHE 11 2HB PHE 11 4.629 -1.008 -0.701 91 HD1 PHE 11 HD1 PHE 11 5.263 1.960 -2.886 92 HD2 PHE 11 HD2 PHE 11 4.224 -2.195 -2.642 93 HE1 PHE 11 HE1 PHE 11 5.156 1.845 -5.367 94 HE2 PHE 11 HE2 PHE 11 4.114 -2.319 -5.123 95 HZ PHE 11 HZ PHE 11 4.581 -0.296 -6.485 96 H GLY 12 H GLY 12 3.446 -0.052 1.707 97 1HA GLY 12 1HA GLY 12 1.123 -1.702 1.112 98 2HA GLY 12 2HA GLY 12 1.806 -1.421 2.716 99 H VAL 13 H VAL 13 1.709 1.394 2.739 100 HA VAL 13 HA VAL 13 -0.946 1.891 3.631 101 HB VAL 13 HB VAL 13 1.234 3.793 2.716 102 1HG1 VAL 13 1HG1 VAL 13 -1.543 4.249 3.663 103 2HG1 VAL 13 2HG1 VAL 13 -0.296 5.256 4.399 104 3HG1 VAL 13 3HG1 VAL 13 -0.517 5.265 2.650 105 1HG2 VAL 13 1HG2 VAL 13 1.177 2.144 4.900 106 2HG2 VAL 13 2HG2 VAL 13 2.042 3.680 4.843 107 3HG2 VAL 13 3HG2 VAL 13 0.429 3.602 5.553 108 H SER 14 H SER 14 0.423 1.799 0.480 109 HA SER 14 HA SER 14 -1.836 3.337 -0.691 110 1HB SER 14 1HB SER 14 0.737 3.466 -1.365 111 2HB SER 14 2HB SER 14 0.311 2.074 -2.356 112 HG SER 14 HG SER 14 -0.692 4.710 -2.424 113 H TYR 15 H TYR 15 -0.205 0.175 -1.111 114 HA TYR 15 HA TYR 15 -2.179 -0.964 -2.823 115 1HB TYR 15 1HB TYR 15 0.216 -1.794 -1.858 116 2HB TYR 15 2HB TYR 15 -0.870 -2.779 -0.885 117 HD1 TYR 15 HD1 TYR 15 -1.304 -1.529 -4.381 118 HD2 TYR 15 HD2 TYR 15 -0.734 -4.937 -1.830 119 HE1 TYR 15 HE1 TYR 15 -1.670 -3.038 -6.315 120 HE2 TYR 15 HE2 TYR 15 -1.100 -6.446 -3.763 121 HH TYR 15 HH TYR 15 -2.094 -5.191 -6.911 122 H ASP 16 H ASP 16 -1.773 -1.280 0.725 123 HA ASP 16 HA ASP 16 -4.052 -2.817 1.270 124 1HB ASP 16 1HB ASP 16 -3.166 -0.433 2.925 125 2HB ASP 16 2HB ASP 16 -4.025 -1.863 3.495 126 H GLU 17 H GLU 17 -3.778 0.471 0.202 127 HA GLU 17 HA GLU 17 -6.599 1.096 0.786 128 1HB GLU 17 1HB GLU 17 -4.682 2.791 0.895 129 2HB GLU 17 2HB GLU 17 -4.656 2.725 -0.867 130 1HG GLU 17 1HG GLU 17 -6.150 4.458 -0.607 131 2HG GLU 17 2HG GLU 17 -7.286 3.111 -0.528 132 H TYR 18 H TYR 18 -4.639 -0.140 -1.808 133 HA TYR 18 HA TYR 18 -6.711 0.419 -3.839 134 1HB TYR 18 1HB TYR 18 -3.952 -0.770 -3.865 135 2HB TYR 18 2HB TYR 18 -5.043 -1.082 -5.216 136 HD1 TYR 18 HD1 TYR 18 -6.553 1.359 -5.525 137 HD2 TYR 18 HD2 TYR 18 -2.404 0.857 -4.533 138 HE1 TYR 18 HE1 TYR 18 -6.062 3.610 -6.443 139 HE2 TYR 18 HE2 TYR 18 -1.913 3.108 -5.452 140 HH TYR 18 HH TYR 18 -4.462 5.303 -6.391 141 H ARG 19 H ARG 19 -5.615 -2.204 -1.796 142 HA ARG 19 HA ARG 19 -7.350 -4.130 -3.237 143 1HB ARG 19 1HB ARG 19 -5.394 -4.459 -0.944 144 2HB ARG 19 2HB ARG 19 -6.386 -5.773 -1.581 145 1HG ARG 19 1HG ARG 19 -5.401 -5.153 -3.884 146 2HG ARG 19 2HG ARG 19 -4.197 -4.234 -2.979 147 1HD ARG 19 1HD ARG 19 -3.173 -6.334 -3.215 148 2HD ARG 19 2HD ARG 19 -3.897 -6.433 -1.610 149 HE ARG 19 HE ARG 19 -5.875 -7.431 -3.252 150 1HH1 ARG 19 1HH1 ARG 19 -3.880 -8.326 -5.203 151 2HH1 ARG 19 2HH1 ARG 19 -3.385 -9.869 -4.592 152 1HH2 ARG 19 1HH2 ARG 19 -4.663 -9.316 -1.415 153 2HH2 ARG 19 2HH2 ARG 19 -3.832 -10.432 -2.448 154 H TYR 20 H TYR 20 -7.667 -1.861 -0.810 155 HA TYR 20 HA TYR 20 -9.505 -3.463 0.857 156 1HB TYR 20 1HB TYR 20 -8.048 -1.859 1.993 157 2HB TYR 20 2HB TYR 20 -8.682 -0.547 0.999 158 HD1 TYR 20 HD1 TYR 20 -11.033 0.204 1.250 159 HD2 TYR 20 HD2 TYR 20 -9.316 -2.760 3.843 160 HE1 TYR 20 HE1 TYR 20 -12.899 0.523 2.850 161 HE2 TYR 20 HE2 TYR 20 -11.184 -2.440 5.443 162 HH TYR 20 HH TYR 20 -13.823 -1.480 5.019 163 H ARG 21 H ARG 21 -9.626 -0.740 -1.431 164 HA ARG 21 HA ARG 21 -12.485 -0.356 -1.160 165 1HB ARG 21 1HB ARG 21 -10.310 0.819 -2.658 166 2HB ARG 21 2HB ARG 21 -11.693 0.532 -3.717 167 1HG ARG 21 1HG ARG 21 -13.155 1.643 -2.018 168 2HG ARG 21 2HG ARG 21 -11.708 2.039 -1.093 169 1HD ARG 21 1HD ARG 21 -11.215 3.778 -2.447 170 2HD ARG 21 2HD ARG 21 -11.437 2.796 -3.895 171 HE ARG 21 HE ARG 21 -13.892 3.286 -3.693 172 1HH1 ARG 21 1HH1 ARG 21 -11.488 5.547 -3.021 173 2HH1 ARG 21 2HH1 ARG 21 -12.560 6.756 -2.397 174 1HH2 ARG 21 1HH2 ARG 21 -15.342 4.687 -2.433 175 2HH2 ARG 21 2HH2 ARG 21 -14.743 6.270 -2.068 176 H SER 22 H SER 22 -10.462 -2.469 -3.045 177 HA SER 22 HA SER 22 -12.437 -3.159 -5.037 178 1HB SER 22 1HB SER 22 -10.324 -3.792 -5.735 179 2HB SER 22 2HB SER 22 -9.825 -4.289 -4.121 180 HG SER 22 HG SER 22 -10.509 -6.224 -4.553 181 H VAL 23 H VAL 23 -11.243 -5.043 -2.228 182 HA VAL 23 HA VAL 23 -13.221 -7.070 -2.372 183 HB VAL 23 HB VAL 23 -11.771 -5.979 0.057 184 1HG1 VAL 23 1HG1 VAL 23 -13.957 -7.524 0.205 185 2HG1 VAL 23 2HG1 VAL 23 -12.770 -8.786 -0.125 186 3HG1 VAL 23 3HG1 VAL 23 -12.585 -7.748 1.289 187 1HG2 VAL 23 1HG2 VAL 23 -11.163 -8.097 -2.005 188 2HG2 VAL 23 2HG2 VAL 23 -10.133 -6.777 -1.450 189 3HG2 VAL 23 3HG2 VAL 23 -10.440 -8.159 -0.398 190 H ILE 24 H ILE 24 -13.307 -3.890 -0.822 191 HA ILE 24 HA ILE 24 -16.043 -4.473 0.183 192 HB ILE 24 HB ILE 24 -14.103 -2.200 0.696 193 1HG1 ILE 24 1HG1 ILE 24 -14.229 -3.088 3.017 194 2HG1 ILE 24 2HG1 ILE 24 -15.295 -4.373 2.450 195 1HG2 ILE 24 1HG2 ILE 24 -17.023 -2.499 1.324 196 2HG2 ILE 24 2HG2 ILE 24 -15.975 -1.686 2.486 197 3HG2 ILE 24 3HG2 ILE 24 -16.128 -1.057 0.846 198 1HD1 ILE 24 1HD1 ILE 24 -12.751 -4.049 0.956 199 2HD1 ILE 24 2HD1 ILE 24 -12.604 -4.650 2.607 200 3HD1 ILE 24 3HD1 ILE 24 -13.595 -5.521 1.436 201 H LYS 25 H LYS 25 -15.059 -3.817 -2.705 202 HA LYS 25 HA LYS 25 -16.194 -1.282 -3.423 203 1HB LYS 25 1HB LYS 25 -14.661 -2.466 -4.921 204 2HB LYS 25 2HB LYS 25 -15.811 -3.794 -5.080 205 1HG LYS 25 1HG LYS 25 -17.111 -1.276 -5.658 206 2HG LYS 25 2HG LYS 25 -15.677 -1.469 -6.669 207 1HD LYS 25 1HD LYS 25 -17.600 -3.758 -6.325 208 2HD LYS 25 2HD LYS 25 -17.940 -2.482 -7.495 209 1HE LYS 25 1HE LYS 25 -15.176 -3.314 -7.733 210 2HE LYS 25 2HE LYS 25 -16.258 -4.712 -7.891 211 1HZ LYS 25 1HZ LYS 25 -17.659 -3.028 -9.280 212 2HZ LYS 25 2HZ LYS 25 -16.163 -2.250 -9.491 213 3HZ LYS 25 3HZ LYS 25 -16.361 -3.854 -10.003 214 H ALA 26 H ALA 26 -18.304 -0.848 -2.909 215 HA ALA 26 HA ALA 26 -20.644 -1.029 -2.957 216 1HB ALA 26 1HB ALA 26 -20.220 -1.558 -5.371 217 2HB ALA 26 2HB ALA 26 -20.133 -3.266 -4.941 218 3HB ALA 26 3HB ALA 26 -21.641 -2.377 -4.722 Start of MODEL 2 1 1H MET 1 1H MET 1 18.861 4.439 -4.114 2 2H MET 1 2H MET 1 19.116 5.888 -4.964 3 3H MET 1 3H MET 1 19.774 5.688 -3.414 4 HA MET 1 HA MET 1 17.873 7.074 -3.155 5 1HB MET 1 1HB MET 1 17.140 5.706 -5.461 6 2HB MET 1 2HB MET 1 15.964 5.151 -4.270 7 1HG MET 1 1HG MET 1 15.167 7.326 -3.858 8 2HG MET 1 2HG MET 1 16.609 8.081 -4.535 9 1HE MET 1 1HE MET 1 13.360 6.635 -4.775 10 2HE MET 1 2HE MET 1 13.032 8.239 -5.423 11 3HE MET 1 3HE MET 1 12.774 6.819 -6.433 12 HA PRO 2 HA PRO 2 17.600 3.881 0.107 13 1HB PRO 2 1HB PRO 2 18.072 5.613 2.170 14 2HB PRO 2 2HB PRO 2 19.374 4.861 1.227 15 1HG PRO 2 1HG PRO 2 18.259 7.609 1.061 16 2HG PRO 2 2HG PRO 2 19.925 7.049 0.853 17 1HD PRO 2 1HD PRO 2 18.230 7.696 -1.214 18 2HD PRO 2 2HD PRO 2 19.630 6.614 -1.362 19 H GLY 3 H GLY 3 15.237 4.245 -0.810 20 1HA GLY 3 1HA GLY 3 13.657 5.633 1.317 21 2HA GLY 3 2HA GLY 3 13.197 5.737 -0.383 22 H THR 4 H THR 4 14.524 2.722 0.512 23 HA THR 4 HA THR 4 12.141 1.291 -0.143 24 HB THR 4 HB THR 4 14.789 0.637 0.191 25 HG1 THR 4 HG1 THR 4 12.416 -0.755 -0.184 26 1HG2 THR 4 1HG2 THR 4 13.257 -0.688 2.446 27 2HG2 THR 4 2HG2 THR 4 14.888 -1.113 1.929 28 3HG2 THR 4 3HG2 THR 4 14.572 0.471 2.637 29 H ILE 5 H ILE 5 13.626 2.054 3.002 30 HA ILE 5 HA ILE 5 11.863 0.728 4.718 31 HB ILE 5 HB ILE 5 13.099 3.479 5.052 32 1HG1 ILE 5 1HG1 ILE 5 13.956 0.690 5.883 33 2HG1 ILE 5 2HG1 ILE 5 14.777 1.754 4.739 34 1HG2 ILE 5 1HG2 ILE 5 11.075 2.779 6.553 35 2HG2 ILE 5 2HG2 ILE 5 12.231 1.677 7.301 36 3HG2 ILE 5 3HG2 ILE 5 12.527 3.415 7.325 37 1HD1 ILE 5 1HD1 ILE 5 14.786 3.423 6.795 38 2HD1 ILE 5 2HD1 ILE 5 14.637 1.933 7.726 39 3HD1 ILE 5 3HD1 ILE 5 16.019 2.170 6.655 40 H LYS 6 H LYS 6 11.351 3.737 2.940 41 HA LYS 6 HA LYS 6 8.781 4.243 4.266 42 1HB LYS 6 1HB LYS 6 9.664 5.564 1.709 43 2HB LYS 6 2HB LYS 6 8.711 6.237 3.032 44 1HG LYS 6 1HG LYS 6 10.741 6.067 4.500 45 2HG LYS 6 2HG LYS 6 11.668 5.575 3.083 46 1HD LYS 6 1HD LYS 6 11.705 7.679 2.217 47 2HD LYS 6 2HD LYS 6 10.047 8.018 2.715 48 1HE LYS 6 1HE LYS 6 12.098 7.762 4.877 49 2HE LYS 6 2HE LYS 6 12.105 9.243 3.900 50 1HZ LYS 6 1HZ LYS 6 9.639 8.084 5.072 51 2HZ LYS 6 2HZ LYS 6 10.554 9.276 5.856 52 3HZ LYS 6 3HZ LYS 6 9.827 9.614 4.358 53 H GLU 7 H GLU 7 9.928 2.583 1.428 54 HA GLU 7 HA GLU 7 7.257 2.493 0.195 55 1HB GLU 7 1HB GLU 7 9.680 0.871 -0.599 56 2HB GLU 7 2HB GLU 7 8.305 1.332 -1.600 57 1HG GLU 7 1HG GLU 7 9.499 3.700 -0.479 58 2HG GLU 7 2HG GLU 7 10.744 2.737 -1.276 59 H ASN 8 H ASN 8 9.523 0.183 1.718 60 HA ASN 8 HA ASN 8 7.882 -2.116 1.530 61 1HB ASN 8 1HB ASN 8 10.172 -2.354 2.213 62 2HB ASN 8 2HB ASN 8 9.901 -1.318 3.606 63 1HD2 ASN 8 2HD2 ASN 8 9.608 -2.468 5.520 64 2HD2 ASN 8 1HD2 ASN 8 8.941 -4.025 5.628 65 H ILE 9 H ILE 9 7.426 0.732 3.339 66 HA ILE 9 HA ILE 9 5.591 -0.627 5.254 67 HB ILE 9 HB ILE 9 6.633 2.210 5.192 68 1HG1 ILE 9 1HG1 ILE 9 7.379 -0.227 6.830 69 2HG1 ILE 9 2HG1 ILE 9 8.405 0.621 5.673 70 1HG2 ILE 9 1HG2 ILE 9 4.430 1.003 6.578 71 2HG2 ILE 9 2HG2 ILE 9 5.692 1.376 7.752 72 3HG2 ILE 9 3HG2 ILE 9 5.039 2.651 6.724 73 1HD1 ILE 9 1HD1 ILE 9 8.210 2.674 7.065 74 2HD1 ILE 9 2HD1 ILE 9 7.296 1.743 8.252 75 3HD1 ILE 9 3HD1 ILE 9 8.982 1.339 7.922 76 H ILE 10 H ILE 10 5.562 0.958 2.302 77 HA ILE 10 HA ILE 10 2.703 1.756 2.694 78 HB ILE 10 HB ILE 10 4.730 3.477 2.078 79 1HG1 ILE 10 1HG1 ILE 10 2.564 4.274 2.652 80 2HG1 ILE 10 2HG1 ILE 10 2.875 4.899 1.033 81 1HG2 ILE 10 1HG2 ILE 10 3.584 2.534 -0.565 82 2HG2 ILE 10 2HG2 ILE 10 4.521 4.013 -0.351 83 3HG2 ILE 10 3HG2 ILE 10 5.271 2.444 -0.057 84 1HD1 ILE 10 1HD1 ILE 10 1.734 2.598 0.318 85 2HD1 ILE 10 2HD1 ILE 10 0.984 2.757 1.907 86 3HD1 ILE 10 3HD1 ILE 10 0.765 4.022 0.698 87 H PHE 11 H PHE 11 5.141 0.596 0.421 88 HA PHE 11 HA PHE 11 3.596 -0.166 -1.757 89 1HB PHE 11 1HB PHE 11 5.857 -0.609 -2.047 90 2HB PHE 11 2HB PHE 11 6.046 -1.254 -0.421 91 HD1 PHE 11 HD1 PHE 11 5.107 -3.531 0.123 92 HD2 PHE 11 HD2 PHE 11 5.407 -2.023 -3.881 93 HE1 PHE 11 HE1 PHE 11 4.876 -5.844 -0.763 94 HE2 PHE 11 HE2 PHE 11 5.176 -4.333 -4.776 95 HZ PHE 11 HZ PHE 11 4.911 -6.242 -3.214 96 H GLY 12 H GLY 12 3.890 -1.736 1.399 97 1HA GLY 12 1HA GLY 12 2.268 -4.038 0.657 98 2HA GLY 12 2HA GLY 12 2.737 -3.590 2.300 99 H VAL 13 H VAL 13 1.700 -1.081 2.581 100 HA VAL 13 HA VAL 13 -1.064 -1.557 3.096 101 HB VAL 13 HB VAL 13 0.558 0.990 2.876 102 1HG1 VAL 13 1HG1 VAL 13 -2.339 0.625 2.956 103 2HG1 VAL 13 2HG1 VAL 13 -1.747 1.563 4.327 104 3HG1 VAL 13 3HG1 VAL 13 -1.403 2.094 2.681 105 1HG2 VAL 13 1HG2 VAL 13 0.567 -0.927 4.800 106 2HG2 VAL 13 2HG2 VAL 13 0.864 0.779 5.135 107 3HG2 VAL 13 3HG2 VAL 13 -0.743 0.095 5.389 108 H SER 14 H SER 14 0.598 0.039 0.394 109 HA SER 14 HA SER 14 -1.690 1.022 -0.963 110 1HB SER 14 1HB SER 14 1.013 1.000 -1.463 111 2HB SER 14 2HB SER 14 0.414 -0.102 -2.698 112 HG SER 14 HG SER 14 0.033 2.617 -2.376 113 H TYR 15 H TYR 15 0.019 -2.091 -1.376 114 HA TYR 15 HA TYR 15 -1.874 -3.195 -3.221 115 1HB TYR 15 1HB TYR 15 0.532 -4.001 -2.304 116 2HB TYR 15 2HB TYR 15 -0.508 -5.035 -1.327 117 HD1 TYR 15 HD1 TYR 15 -0.931 -3.728 -4.808 118 HD2 TYR 15 HD2 TYR 15 -0.447 -7.174 -2.292 119 HE1 TYR 15 HE1 TYR 15 -1.294 -5.206 -6.766 120 HE2 TYR 15 HE2 TYR 15 -0.809 -8.654 -4.249 121 HH TYR 15 HH TYR 15 -0.421 -8.196 -6.993 122 H ASP 16 H ASP 16 -1.491 -3.762 0.300 123 HA ASP 16 HA ASP 16 -3.797 -5.319 0.701 124 1HB ASP 16 1HB ASP 16 -2.347 -3.322 2.431 125 2HB ASP 16 2HB ASP 16 -3.839 -4.070 3.004 126 H GLU 17 H GLU 17 -3.463 -1.963 -0.069 127 HA GLU 17 HA GLU 17 -6.316 -1.426 0.546 128 1HB GLU 17 1HB GLU 17 -4.215 0.153 1.006 129 2HB GLU 17 2HB GLU 17 -4.510 0.628 -0.666 130 1HG GLU 17 1HG GLU 17 -6.990 0.879 0.072 131 2HG GLU 17 2HG GLU 17 -6.339 0.892 1.712 132 H TYR 18 H TYR 18 -4.164 -2.094 -2.106 133 HA TYR 18 HA TYR 18 -5.894 -0.965 -4.164 134 1HB TYR 18 1HB TYR 18 -3.278 -1.977 -4.066 135 2HB TYR 18 2HB TYR 18 -4.161 -3.098 -5.102 136 HD1 TYR 18 HD1 TYR 18 -4.283 0.614 -4.514 137 HD2 TYR 18 HD2 TYR 18 -3.929 -2.585 -7.360 138 HE1 TYR 18 HE1 TYR 18 -4.218 2.265 -6.363 139 HE2 TYR 18 HE2 TYR 18 -3.865 -0.932 -9.208 140 HH TYR 18 HH TYR 18 -3.126 2.081 -8.955 141 H ARG 19 H ARG 19 -5.566 -4.072 -2.555 142 HA ARG 19 HA ARG 19 -7.678 -5.187 -4.345 143 1HB ARG 19 1HB ARG 19 -5.476 -6.388 -2.717 144 2HB ARG 19 2HB ARG 19 -6.946 -7.335 -2.947 145 1HG ARG 19 1HG ARG 19 -6.357 -6.241 -5.473 146 2HG ARG 19 2HG ARG 19 -4.815 -6.805 -4.831 147 1HD ARG 19 1HD ARG 19 -7.108 -8.638 -4.432 148 2HD ARG 19 2HD ARG 19 -6.585 -8.428 -6.103 149 HE ARG 19 HE ARG 19 -4.425 -8.983 -4.186 150 1HH1 ARG 19 1HH1 ARG 19 -7.024 -10.649 -5.556 151 2HH1 ARG 19 2HH1 ARG 19 -6.064 -11.913 -6.249 152 1HH2 ARG 19 1HH2 ARG 19 -3.040 -10.405 -5.472 153 2HH2 ARG 19 2HH2 ARG 19 -3.809 -11.775 -6.202 154 H TYR 20 H TYR 20 -7.654 -3.412 -1.698 155 HA TYR 20 HA TYR 20 -9.773 -5.024 -0.331 156 1HB TYR 20 1HB TYR 20 -7.783 -4.714 1.091 157 2HB TYR 20 2HB TYR 20 -7.889 -2.968 0.865 158 HD1 TYR 20 HD1 TYR 20 -9.482 -5.922 2.409 159 HD2 TYR 20 HD2 TYR 20 -9.597 -1.649 1.974 160 HE1 TYR 20 HE1 TYR 20 -11.094 -5.774 4.287 161 HE2 TYR 20 HE2 TYR 20 -11.210 -1.501 3.853 162 HH TYR 20 HH TYR 20 -12.745 -2.811 5.061 163 H ARG 21 H ARG 21 -8.726 -1.757 -1.276 164 HA ARG 21 HA ARG 21 -11.241 -0.518 -0.494 165 1HB ARG 21 1HB ARG 21 -8.805 0.503 -0.953 166 2HB ARG 21 2HB ARG 21 -9.493 0.738 -2.561 167 1HG ARG 21 1HG ARG 21 -11.445 1.886 -1.521 168 2HG ARG 21 2HG ARG 21 -10.666 1.728 0.052 169 1HD ARG 21 1HD ARG 21 -9.436 3.569 -0.341 170 2HD ARG 21 2HD ARG 21 -8.780 2.841 -1.807 171 HE ARG 21 HE ARG 21 -10.770 3.778 -3.011 172 1HH1 ARG 21 1HH2 ARG 21 -8.994 5.945 -1.668 173 2HH1 ARG 21 2HH2 ARG 21 -10.219 7.013 -1.069 174 1HH2 ARG 21 1HH1 ARG 21 -12.787 4.715 -1.464 175 2HH2 ARG 21 2HH1 ARG 21 -12.365 6.315 -0.950 176 H SER 22 H SER 22 -9.823 -1.632 -3.561 177 HA SER 22 HA SER 22 -11.800 -0.737 -5.344 178 1HB SER 22 1HB SER 22 -9.695 -1.911 -6.003 179 2HB SER 22 2HB SER 22 -10.396 -3.423 -5.434 180 HG SER 22 HG SER 22 -11.568 -3.512 -7.179 181 H VAL 23 H VAL 23 -11.871 -3.485 -3.128 182 HA VAL 23 HA VAL 23 -14.512 -4.326 -4.175 183 HB VAL 23 HB VAL 23 -12.861 -6.063 -3.577 184 1HG1 VAL 23 1HG1 VAL 23 -11.713 -4.791 -1.792 185 2HG1 VAL 23 2HG1 VAL 23 -13.146 -4.941 -0.774 186 3HG1 VAL 23 3HG1 VAL 23 -12.227 -6.378 -1.220 187 1HG2 VAL 23 1HG2 VAL 23 -15.554 -5.839 -2.576 188 2HG2 VAL 23 2HG2 VAL 23 -14.701 -7.285 -3.116 189 3HG2 VAL 23 3HG2 VAL 23 -14.582 -6.769 -1.435 190 H ILE 24 H ILE 24 -13.052 -3.013 -1.218 191 HA ILE 24 HA ILE 24 -15.708 -2.808 0.037 192 HB ILE 24 HB ILE 24 -13.177 -3.213 1.045 193 1HG1 ILE 24 1HG1 ILE 24 -14.297 -2.930 3.250 194 2HG1 ILE 24 2HG1 ILE 24 -15.654 -2.152 2.432 195 1HG2 ILE 24 1HG2 ILE 24 -12.748 -0.725 0.683 196 2HG2 ILE 24 2HG2 ILE 24 -13.970 -0.425 1.918 197 3HG2 ILE 24 3HG2 ILE 24 -12.501 -1.311 2.327 198 1HD1 ILE 24 1HD1 ILE 24 -15.200 -4.520 0.993 199 2HD1 ILE 24 2HD1 ILE 24 -15.060 -4.981 2.690 200 3HD1 ILE 24 3HD1 ILE 24 -16.530 -4.201 2.106 201 H LYS 25 H LYS 25 -14.477 -1.100 -2.344 202 HA LYS 25 HA LYS 25 -14.468 1.614 -1.415 203 1HB LYS 25 1HB LYS 25 -14.067 0.316 -3.865 204 2HB LYS 25 2HB LYS 25 -15.486 1.333 -4.129 205 1HG LYS 25 1HG LYS 25 -14.173 3.235 -3.058 206 2HG LYS 25 2HG LYS 25 -12.750 2.197 -3.163 207 1HD LYS 25 1HD LYS 25 -12.937 3.727 -5.116 208 2HD LYS 25 2HD LYS 25 -13.011 2.030 -5.590 209 1HE LYS 25 1HE LYS 25 -15.125 2.255 -6.396 210 2HE LYS 25 2HE LYS 25 -15.654 3.149 -4.956 211 1HZ LYS 25 1HZ LYS 25 -13.887 4.315 -7.036 212 2HZ LYS 25 2HZ LYS 25 -15.577 4.494 -7.054 213 3HZ LYS 25 3HZ LYS 25 -14.672 5.129 -5.768 214 H ALA 26 H ALA 26 -16.336 3.027 -2.828 215 HA ALA 26 HA ALA 26 -18.610 3.633 -2.892 216 1HB ALA 26 1HB ALA 26 -18.716 1.042 -3.525 217 2HB ALA 26 2HB ALA 26 -19.473 0.935 -1.936 218 3HB ALA 26 3HB ALA 26 -20.181 1.962 -3.183 Start of MODEL 3 1 1H MET 1 1H MET 1 20.854 2.087 -1.328 2 2H MET 1 2H MET 1 21.994 2.787 -2.369 3 3H MET 1 3H MET 1 21.889 3.307 -0.756 4 HA MET 1 HA MET 1 20.751 4.991 -1.826 5 1HB MET 1 1HB MET 1 20.374 2.743 -3.712 6 2HB MET 1 2HB MET 1 19.052 3.910 -3.682 7 1HG MET 1 1HG MET 1 20.298 5.504 -4.693 8 2HG MET 1 2HG MET 1 21.687 5.187 -3.654 9 1HE MET 1 1HE MET 1 22.101 6.176 -6.070 10 2HE MET 1 2HE MET 1 23.622 5.288 -6.020 11 3HE MET 1 3HE MET 1 22.591 5.177 -7.445 12 HA PRO 2 HA PRO 2 17.304 4.248 0.830 13 1HB PRO 2 1HB PRO 2 16.020 6.636 0.460 14 2HB PRO 2 2HB PRO 2 17.491 6.473 1.439 15 1HG PRO 2 1HG PRO 2 17.172 7.473 -1.343 16 2HG PRO 2 2HG PRO 2 18.248 8.038 -0.056 17 1HD PRO 2 1HD PRO 2 19.059 6.456 -2.135 18 2HD PRO 2 2HD PRO 2 19.857 6.492 -0.547 19 H GLY 3 H GLY 3 14.877 4.152 0.667 20 1HA GLY 3 1HA GLY 3 12.906 4.369 -0.869 21 2HA GLY 3 2HA GLY 3 13.977 3.847 -2.172 22 H THR 4 H THR 4 14.174 2.397 1.002 23 HA THR 4 HA THR 4 12.971 -0.084 -0.149 24 HB THR 4 HB THR 4 15.573 0.298 0.784 25 HG1 THR 4 HG1 THR 4 15.439 -1.437 -0.367 26 1HG2 THR 4 1HG2 THR 4 14.674 0.293 3.125 27 2HG2 THR 4 2HG2 THR 4 14.052 -1.333 2.839 28 3HG2 THR 4 3HG2 THR 4 15.790 -1.035 2.802 29 H ILE 5 H ILE 5 13.448 1.787 2.842 30 HA ILE 5 HA ILE 5 11.312 0.261 4.188 31 HB ILE 5 HB ILE 5 13.166 2.493 5.039 32 1HG1 ILE 5 1HG1 ILE 5 12.922 0.089 6.686 33 2HG1 ILE 5 2HG1 ILE 5 13.381 -0.286 5.025 34 1HG2 ILE 5 1HG2 ILE 5 10.727 1.381 6.435 35 2HG2 ILE 5 2HG2 ILE 5 12.056 2.115 7.333 36 3HG2 ILE 5 3HG2 ILE 5 11.151 3.070 6.159 37 1HD1 ILE 5 1HD1 ILE 5 14.806 2.036 6.113 38 2HD1 ILE 5 2HD1 ILE 5 15.120 0.548 7.007 39 3HD1 ILE 5 3HD1 ILE 5 15.441 0.621 5.275 40 H LYS 6 H LYS 6 11.919 3.691 3.348 41 HA LYS 6 HA LYS 6 9.482 4.802 4.068 42 1HB LYS 6 1HB LYS 6 11.519 5.910 2.910 43 2HB LYS 6 2HB LYS 6 10.728 5.457 1.399 44 1HG LYS 6 1HG LYS 6 8.762 6.627 3.117 45 2HG LYS 6 2HG LYS 6 10.162 7.699 3.071 46 1HD LYS 6 1HD LYS 6 8.848 6.534 0.601 47 2HD LYS 6 2HD LYS 6 8.489 8.138 1.242 48 1HE LYS 6 1HE LYS 6 10.675 8.939 0.785 49 2HE LYS 6 2HE LYS 6 11.325 7.298 0.599 50 1HZ LYS 6 1HZ LYS 6 9.071 7.848 -1.105 51 2HZ LYS 6 2HZ LYS 6 10.409 8.842 -1.433 52 3HZ LYS 6 3HZ LYS 6 10.575 7.156 -1.488 53 H GLU 7 H GLU 7 10.115 2.556 1.484 54 HA GLU 7 HA GLU 7 7.383 2.965 0.382 55 1HB GLU 7 1HB GLU 7 9.561 1.079 -0.570 56 2HB GLU 7 2HB GLU 7 8.089 1.518 -1.435 57 1HG GLU 7 1HG GLU 7 9.563 3.885 -0.633 58 2HG GLU 7 2HG GLU 7 10.571 2.811 -1.604 59 H ASN 8 H ASN 8 9.439 0.363 1.699 60 HA ASN 8 HA ASN 8 7.532 -1.702 1.708 61 1HB ASN 8 1HB ASN 8 9.761 -2.273 2.259 62 2HB ASN 8 2HB ASN 8 9.814 -1.080 3.548 63 1HD2 ASN 8 2HD2 ASN 8 7.639 -3.830 2.687 64 2HD2 ASN 8 1HD2 ASN 8 7.594 -4.472 4.259 65 H ILE 9 H ILE 9 7.608 1.194 3.551 66 HA ILE 9 HA ILE 9 5.653 0.104 5.517 67 HB ILE 9 HB ILE 9 6.899 2.845 5.549 68 1HG1 ILE 9 1HG1 ILE 9 8.567 0.861 5.403 69 2HG1 ILE 9 2HG1 ILE 9 8.777 2.026 6.700 70 1HG2 ILE 9 1HG2 ILE 9 5.421 1.076 7.469 71 2HG2 ILE 9 2HG2 ILE 9 6.592 2.231 8.103 72 3HG2 ILE 9 3HG2 ILE 9 5.217 2.799 7.156 73 1HD1 ILE 9 1HD1 ILE 9 7.292 -0.601 6.971 74 2HD1 ILE 9 2HD1 ILE 9 8.953 -0.329 7.499 75 3HD1 ILE 9 3HD1 ILE 9 7.627 0.544 8.269 76 H ILE 10 H ILE 10 5.762 1.771 2.594 77 HA ILE 10 HA ILE 10 3.075 2.971 3.156 78 HB ILE 10 HB ILE 10 5.314 4.425 2.539 79 1HG1 ILE 10 1HG1 ILE 10 3.289 5.440 3.309 80 2HG1 ILE 10 2HG1 ILE 10 3.641 6.175 1.746 81 1HG2 ILE 10 1HG2 ILE 10 3.901 3.823 -0.074 82 2HG2 ILE 10 2HG2 ILE 10 5.006 5.175 0.163 83 3HG2 ILE 10 3HG2 ILE 10 5.596 3.520 0.307 84 1HD1 ILE 10 1HD1 ILE 10 2.140 4.350 0.734 85 2HD1 ILE 10 2HD1 ILE 10 1.600 4.042 2.384 86 3HD1 ILE 10 3HD1 ILE 10 1.331 5.623 1.648 87 H PHE 11 H PHE 11 5.216 1.719 0.619 88 HA PHE 11 HA PHE 11 3.380 1.316 -1.436 89 1HB PHE 11 1HB PHE 11 5.531 0.746 -2.057 90 2HB PHE 11 2HB PHE 11 5.884 -0.030 -0.520 91 HD1 PHE 11 HD1 PHE 11 4.268 -0.437 -3.798 92 HD2 PHE 11 HD2 PHE 11 5.373 -2.346 -0.117 93 HE1 PHE 11 HE1 PHE 11 3.769 -2.655 -4.807 94 HE2 PHE 11 HE2 PHE 11 4.875 -4.568 -1.119 95 HZ PHE 11 HZ PHE 11 4.072 -4.720 -3.462 96 H GLY 12 H GLY 12 3.814 -0.518 1.549 97 1HA GLY 12 1HA GLY 12 1.993 -2.654 0.746 98 2HA GLY 12 2HA GLY 12 2.643 -2.405 2.368 99 H VAL 13 H VAL 13 1.797 0.167 2.932 100 HA VAL 13 HA VAL 13 -0.882 -0.206 3.781 101 HB VAL 13 HB VAL 13 0.626 2.382 3.290 102 1HG1 VAL 13 1HG1 VAL 13 -2.045 2.206 3.642 103 2HG1 VAL 13 2HG1 VAL 13 -1.529 2.160 5.328 104 3HG1 VAL 13 3HG1 VAL 13 -1.083 3.527 4.306 105 1HG2 VAL 13 1HG2 VAL 13 1.639 0.702 4.898 106 2HG2 VAL 13 2HG2 VAL 13 1.226 2.255 5.624 107 3HG2 VAL 13 3HG2 VAL 13 0.177 0.859 5.872 108 H SER 14 H SER 14 0.430 0.942 0.752 109 HA SER 14 HA SER 14 -2.092 2.084 -0.184 110 1HB SER 14 1HB SER 14 0.368 2.613 -0.959 111 2HB SER 14 2HB SER 14 0.128 1.230 -2.023 112 HG SER 14 HG SER 14 -1.112 3.731 -1.994 113 H TYR 15 H TYR 15 -0.185 -0.817 -1.092 114 HA TYR 15 HA TYR 15 -2.155 -1.949 -2.806 115 1HB TYR 15 1HB TYR 15 0.373 -2.648 -2.085 116 2HB TYR 15 2HB TYR 15 -0.556 -3.839 -1.177 117 HD1 TYR 15 HD1 TYR 15 0.080 -2.466 -4.570 118 HD2 TYR 15 HD2 TYR 15 -1.704 -5.628 -2.273 119 HE1 TYR 15 HE1 TYR 15 -0.272 -3.774 -6.646 120 HE2 TYR 15 HE2 TYR 15 -2.055 -6.937 -4.349 121 HH TYR 15 HH TYR 15 -0.775 -5.838 -7.455 122 H ASP 16 H ASP 16 -1.444 -2.706 0.618 123 HA ASP 16 HA ASP 16 -3.526 -4.484 1.147 124 1HB ASP 16 1HB ASP 16 -1.699 -3.266 2.711 125 2HB ASP 16 2HB ASP 16 -3.117 -2.317 3.156 126 H GLU 17 H GLU 17 -3.669 -1.069 0.495 127 HA GLU 17 HA GLU 17 -6.532 -0.933 1.247 128 1HB GLU 17 1HB GLU 17 -4.578 0.914 1.519 129 2HB GLU 17 2HB GLU 17 -5.180 1.365 -0.076 130 1HG GLU 17 1HG GLU 17 -7.490 0.910 1.434 131 2HG GLU 17 2HG GLU 17 -6.408 1.766 2.532 132 H TYR 18 H TYR 18 -4.470 -1.285 -1.538 133 HA TYR 18 HA TYR 18 -6.544 -0.472 -3.446 134 1HB TYR 18 1HB TYR 18 -3.793 -0.732 -3.587 135 2HB TYR 18 2HB TYR 18 -4.365 -2.136 -4.490 136 HD1 TYR 18 HD1 TYR 18 -4.365 1.550 -4.308 137 HD2 TYR 18 HD2 TYR 18 -5.640 -1.890 -6.543 138 HE1 TYR 18 HE1 TYR 18 -4.928 3.008 -6.234 139 HE2 TYR 18 HE2 TYR 18 -6.204 -0.433 -8.468 140 HH TYR 18 HH TYR 18 -5.739 3.102 -8.292 141 H ARG 19 H ARG 19 -5.501 -3.411 -1.878 142 HA ARG 19 HA ARG 19 -7.202 -5.026 -3.709 143 1HB ARG 19 1HB ARG 19 -4.776 -5.528 -2.257 144 2HB ARG 19 2HB ARG 19 -6.020 -6.647 -1.694 145 1HG ARG 19 1HG ARG 19 -6.047 -6.311 -4.600 146 2HG ARG 19 2HG ARG 19 -4.511 -6.941 -4.006 147 1HD ARG 19 1HD ARG 19 -5.419 -8.945 -3.494 148 2HD ARG 19 2HD ARG 19 -6.799 -8.194 -2.691 149 HE ARG 19 HE ARG 19 -7.927 -8.086 -4.864 150 1HH1 ARG 19 1HH1 ARG 19 -4.698 -9.065 -5.286 151 2HH1 ARG 19 2HH1 ARG 19 -5.048 -10.223 -6.526 152 1HH2 ARG 19 1HH2 ARG 19 -8.487 -9.877 -6.250 153 2HH2 ARG 19 2HH2 ARG 19 -7.193 -10.684 -7.070 154 H TYR 20 H TYR 20 -7.423 -3.372 -0.787 155 HA TYR 20 HA TYR 20 -9.485 -5.256 0.265 156 1HB TYR 20 1HB TYR 20 -7.750 -4.667 1.885 157 2HB TYR 20 2HB TYR 20 -8.046 -2.949 1.612 158 HD1 TYR 20 HD1 TYR 20 -10.011 -6.053 2.418 159 HD2 TYR 20 HD2 TYR 20 -9.420 -1.859 3.140 160 HE1 TYR 20 HE1 TYR 20 -11.817 -6.091 4.118 161 HE2 TYR 20 HE2 TYR 20 -11.226 -1.897 4.839 162 HH TYR 20 HH TYR 20 -12.763 -3.123 5.859 163 H ARG 21 H ARG 21 -8.974 -1.995 -0.945 164 HA ARG 21 HA ARG 21 -11.745 -1.216 -0.270 165 1HB ARG 21 1HB ARG 21 -9.434 0.240 -0.477 166 2HB ARG 21 2HB ARG 21 -10.176 0.538 -2.052 167 1HG ARG 21 1HG ARG 21 -12.357 0.908 -0.617 168 2HG ARG 21 2HG ARG 21 -11.205 1.205 0.683 169 1HD ARG 21 1HD ARG 21 -10.205 3.029 -0.480 170 2HD ARG 21 2HD ARG 21 -10.994 2.590 -1.996 171 HE ARG 21 HE ARG 21 -12.735 3.989 -1.268 172 1HH1 ARG 21 1HH1 ARG 21 -10.841 4.090 1.361 173 2HH1 ARG 21 2HH1 ARG 21 -12.091 3.980 2.555 174 1HH2 ARG 21 1HH2 ARG 21 -14.554 3.101 0.278 175 2HH2 ARG 21 2HH2 ARG 21 -14.194 3.424 1.942 176 H SER 22 H SER 22 -9.748 -1.758 -3.157 177 HA SER 22 HA SER 22 -11.593 -1.170 -5.168 178 1HB SER 22 1HB SER 22 -9.296 -1.842 -5.672 179 2HB SER 22 2HB SER 22 -9.613 -3.466 -5.071 180 HG SER 22 HG SER 22 -11.157 -2.294 -7.128 181 H VAL 23 H VAL 23 -11.710 -3.757 -2.855 182 HA VAL 23 HA VAL 23 -13.719 -5.241 -4.445 183 HB VAL 23 HB VAL 23 -11.959 -6.454 -3.131 184 1HG1 VAL 23 1HG1 VAL 23 -11.910 -4.880 -1.212 185 2HG1 VAL 23 2HG1 VAL 23 -13.531 -5.407 -0.757 186 3HG1 VAL 23 3HG1 VAL 23 -12.183 -6.542 -0.690 187 1HG2 VAL 23 1HG2 VAL 23 -14.517 -7.166 -3.585 188 2HG2 VAL 23 2HG2 VAL 23 -13.396 -8.201 -2.701 189 3HG2 VAL 23 3HG2 VAL 23 -14.537 -7.183 -1.822 190 H ILE 24 H ILE 24 -13.500 -3.433 -1.382 191 HA ILE 24 HA ILE 24 -16.334 -3.766 -0.800 192 HB ILE 24 HB ILE 24 -14.488 -1.669 0.360 193 1HG1 ILE 24 1HG1 ILE 24 -13.407 -3.904 0.441 194 2HG1 ILE 24 2HG1 ILE 24 -13.867 -3.346 2.050 195 1HG2 ILE 24 1HG2 ILE 24 -17.189 -2.633 0.876 196 2HG2 ILE 24 2HG2 ILE 24 -16.166 -2.776 2.305 197 3HG2 ILE 24 3HG2 ILE 24 -16.370 -1.209 1.519 198 1HD1 ILE 24 1HD1 ILE 24 -16.007 -4.829 0.704 199 2HD1 ILE 24 2HD1 ILE 24 -14.549 -5.793 0.945 200 3HD1 ILE 24 3HD1 ILE 24 -15.345 -5.038 2.326 201 H LYS 25 H LYS 25 -14.394 -1.448 -2.562 202 HA LYS 25 HA LYS 25 -16.155 0.777 -2.547 203 1HB LYS 25 1HB LYS 25 -13.851 0.788 -3.517 204 2HB LYS 25 2HB LYS 25 -14.450 -0.174 -4.868 205 1HG LYS 25 1HG LYS 25 -15.730 1.573 -5.723 206 2HG LYS 25 2HG LYS 25 -15.856 2.381 -4.162 207 1HD LYS 25 1HD LYS 25 -13.182 2.501 -4.499 208 2HD LYS 25 2HD LYS 25 -13.686 2.507 -6.190 209 1HE LYS 25 1HE LYS 25 -15.265 4.393 -5.658 210 2HE LYS 25 2HE LYS 25 -14.567 4.450 -4.027 211 1HZ LYS 25 1HZ LYS 25 -12.367 4.688 -5.031 212 2HZ LYS 25 2HZ LYS 25 -13.066 4.709 -6.579 213 3HZ LYS 25 3HZ LYS 25 -13.390 5.965 -5.488 214 H ALA 26 H ALA 26 -15.948 -1.857 -4.974 215 HA ALA 26 HA ALA 26 -17.535 -2.505 -6.595 216 1HB ALA 26 1HB ALA 26 -18.616 -2.701 -3.949 217 2HB ALA 26 2HB ALA 26 -19.910 -2.210 -5.042 218 3HB ALA 26 3HB ALA 26 -18.999 -3.687 -5.360 Start of MODEL 4 1 1H MET 1 1H MET 1 21.962 1.686 0.489 2 2H MET 1 2H MET 1 21.565 1.792 -1.161 3 3H MET 1 3H MET 1 23.032 2.437 -0.592 4 HA MET 1 HA MET 1 21.916 4.164 0.601 5 1HB MET 1 1HB MET 1 21.594 3.579 -2.252 6 2HB MET 1 2HB MET 1 20.396 4.728 -1.658 7 1HG MET 1 1HG MET 1 22.693 5.635 -0.450 8 2HG MET 1 2HG MET 1 23.300 5.062 -2.004 9 1HE MET 1 1HE MET 1 24.015 7.523 -1.800 10 2HE MET 1 2HE MET 1 23.072 8.873 -2.427 11 3HE MET 1 3HE MET 1 22.868 8.351 -0.750 12 HA PRO 2 HA PRO 2 17.940 2.990 2.152 13 1HB PRO 2 1HB PRO 2 17.330 5.362 3.373 14 2HB PRO 2 2HB PRO 2 18.492 4.202 4.047 15 1HG PRO 2 1HG PRO 2 18.989 6.710 2.525 16 2HG PRO 2 2HG PRO 2 19.865 6.038 3.909 17 1HD PRO 2 1HD PRO 2 20.747 5.858 1.334 18 2HD PRO 2 2HD PRO 2 21.151 4.674 2.597 19 H GLY 3 H GLY 3 15.723 4.583 2.327 20 1HA GLY 3 1HA GLY 3 14.303 6.093 1.059 21 2HA GLY 3 2HA GLY 3 15.390 5.905 -0.318 22 H THR 4 H THR 4 15.394 2.895 0.379 23 HA THR 4 HA THR 4 13.163 2.235 -1.402 24 HB THR 4 HB THR 4 15.655 1.145 -0.955 25 HG1 THR 4 HG1 THR 4 13.834 0.911 -2.643 26 1HG2 THR 4 1HG2 THR 4 14.908 0.059 1.133 27 2HG2 THR 4 2HG2 THR 4 13.617 -0.751 0.246 28 3HG2 THR 4 3HG2 THR 4 15.304 -1.135 -0.103 29 H ILE 5 H ILE 5 14.061 1.669 1.975 30 HA ILE 5 HA ILE 5 11.882 0.011 2.716 31 HB ILE 5 HB ILE 5 13.223 2.126 4.428 32 1HG1 ILE 5 1HG1 ILE 5 14.152 -0.611 4.762 33 2HG1 ILE 5 2HG1 ILE 5 14.406 -0.051 3.109 34 1HG2 ILE 5 1HG2 ILE 5 11.056 0.857 5.157 35 2HG2 ILE 5 2HG2 ILE 5 12.136 -0.524 5.352 36 3HG2 ILE 5 3HG2 ILE 5 12.409 0.949 6.283 37 1HD1 ILE 5 1HD1 ILE 5 15.084 2.049 4.973 38 2HD1 ILE 5 2HD1 ILE 5 15.965 0.577 5.379 39 3HD1 ILE 5 3HD1 ILE 5 16.106 1.272 3.765 40 H LYS 6 H LYS 6 12.180 3.566 2.928 41 HA LYS 6 HA LYS 6 9.639 4.150 3.962 42 1HB LYS 6 1HB LYS 6 11.203 5.676 1.860 43 2HB LYS 6 2HB LYS 6 9.840 6.328 2.771 44 1HG LYS 6 1HG LYS 6 11.045 6.005 4.871 45 2HG LYS 6 2HG LYS 6 12.388 5.251 4.012 46 1HD LYS 6 1HD LYS 6 12.896 7.304 2.855 47 2HD LYS 6 2HD LYS 6 11.433 8.072 3.470 48 1HE LYS 6 1HE LYS 6 13.128 8.892 4.913 49 2HE LYS 6 2HE LYS 6 12.439 7.538 5.831 50 1HZ LYS 6 1HZ LYS 6 14.124 6.124 4.573 51 2HZ LYS 6 2HZ LYS 6 14.909 7.585 4.205 52 3HZ LYS 6 3HZ LYS 6 14.719 7.105 5.822 53 H GLU 7 H GLU 7 10.510 2.992 0.797 54 HA GLU 7 HA GLU 7 7.833 3.620 -0.297 55 1HB GLU 7 1HB GLU 7 10.110 2.099 -1.599 56 2HB GLU 7 2HB GLU 7 8.703 2.797 -2.401 57 1HG GLU 7 1HG GLU 7 9.969 4.851 -0.858 58 2HG GLU 7 2HG GLU 7 11.198 4.055 -1.842 59 H ASN 8 H ASN 8 9.842 0.729 0.360 60 HA ASN 8 HA ASN 8 7.837 -1.178 -0.340 61 1HB ASN 8 1HB ASN 8 10.403 -1.441 0.202 62 2HB ASN 8 2HB ASN 8 9.798 -1.728 1.827 63 1HD2 ASN 8 2HD2 ASN 8 9.981 -3.067 -1.416 64 2HD2 ASN 8 1HD2 ASN 8 9.267 -4.562 -1.043 65 H ILE 9 H ILE 9 8.010 1.006 2.242 66 HA ILE 9 HA ILE 9 6.260 -0.658 3.984 67 HB ILE 9 HB ILE 9 7.697 1.965 4.449 68 1HG1 ILE 9 1HG1 ILE 9 8.076 -0.872 5.431 69 2HG1 ILE 9 2HG1 ILE 9 9.215 0.106 4.503 70 1HG2 ILE 9 1HG2 ILE 9 5.849 0.357 6.237 71 2HG2 ILE 9 2HG2 ILE 9 6.907 1.644 6.820 72 3HG2 ILE 9 3HG2 ILE 9 5.612 2.014 5.682 73 1HD1 ILE 9 1HD1 ILE 9 8.974 1.767 6.531 74 2HD1 ILE 9 2HD1 ILE 9 8.456 0.316 7.392 75 3HD1 ILE 9 3HD1 ILE 9 10.055 0.380 6.650 76 H ILE 10 H ILE 10 6.118 1.788 1.640 77 HA ILE 10 HA ILE 10 3.461 2.710 2.657 78 HB ILE 10 HB ILE 10 5.524 4.292 1.999 79 1HG1 ILE 10 1HG1 ILE 10 3.509 5.194 2.898 80 2HG1 ILE 10 2HG1 ILE 10 3.760 6.033 1.367 81 1HG2 ILE 10 1HG2 ILE 10 4.082 3.817 -0.618 82 2HG2 ILE 10 2HG2 ILE 10 5.110 5.213 -0.305 83 3HG2 ILE 10 3HG2 ILE 10 5.801 3.592 -0.286 84 1HD1 ILE 10 1HD1 ILE 10 2.267 4.274 0.293 85 2HD1 ILE 10 2HD1 ILE 10 1.864 3.741 1.925 86 3HD1 ILE 10 3HD1 ILE 10 1.453 5.375 1.404 87 H PHE 11 H PHE 11 5.190 1.840 -0.309 88 HA PHE 11 HA PHE 11 3.100 1.643 -2.119 89 1HB PHE 11 1HB PHE 11 5.035 1.108 -3.180 90 2HB PHE 11 2HB PHE 11 5.762 0.467 -1.719 91 HD1 PHE 11 HD1 PHE 11 5.194 -1.864 -0.960 92 HD2 PHE 11 HD2 PHE 11 4.073 -0.337 -4.811 93 HE1 PHE 11 HE1 PHE 11 4.831 -4.183 -1.772 94 HE2 PHE 11 HE2 PHE 11 3.709 -2.654 -5.629 95 HZ PHE 11 HZ PHE 11 4.090 -4.577 -4.106 96 H GLY 12 H GLY 12 4.048 -0.645 0.421 97 1HA GLY 12 1HA GLY 12 2.121 -2.673 -0.316 98 2HA GLY 12 2HA GLY 12 2.957 -2.565 1.236 99 H VAL 13 H VAL 13 2.100 0.087 1.912 100 HA VAL 13 HA VAL 13 -0.417 -0.489 3.150 101 HB VAL 13 HB VAL 13 0.939 2.177 2.632 102 1HG1 VAL 13 1HG1 VAL 13 -1.573 1.389 4.007 103 2HG1 VAL 13 2HG1 VAL 13 -0.542 2.530 4.872 104 3HG1 VAL 13 3HG1 VAL 13 -1.132 2.925 3.258 105 1HG2 VAL 13 1HG2 VAL 13 2.176 0.413 3.998 106 2HG2 VAL 13 2HG2 VAL 13 1.868 1.935 4.833 107 3HG2 VAL 13 3HG2 VAL 13 0.864 0.526 5.171 108 H SER 14 H SER 14 0.436 1.486 0.301 109 HA SER 14 HA SER 14 -2.147 2.428 -0.339 110 1HB SER 14 1HB SER 14 0.123 2.940 -1.483 111 2HB SER 14 2HB SER 14 -0.193 1.502 -2.449 112 HG SER 14 HG SER 14 -1.035 3.309 -3.490 113 H TYR 15 H TYR 15 -0.641 -0.709 -0.947 114 HA TYR 15 HA TYR 15 -2.769 -1.704 -2.641 115 1HB TYR 15 1HB TYR 15 -0.267 -2.563 -2.113 116 2HB TYR 15 2HB TYR 15 -1.166 -3.612 -1.018 117 HD1 TYR 15 HD1 TYR 15 -0.602 -2.682 -4.540 118 HD2 TYR 15 HD2 TYR 15 -2.753 -5.256 -1.860 119 HE1 TYR 15 HE1 TYR 15 -1.273 -4.113 -6.453 120 HE2 TYR 15 HE2 TYR 15 -3.425 -6.688 -3.770 121 HH TYR 15 HH TYR 15 -2.888 -5.725 -7.065 122 H ASP 16 H ASP 16 -1.863 -2.620 0.711 123 HA ASP 16 HA ASP 16 -4.133 -4.081 1.380 124 1HB ASP 16 1HB ASP 16 -2.658 -2.081 3.124 125 2HB ASP 16 2HB ASP 16 -3.775 -3.306 3.725 126 H GLU 17 H GLU 17 -3.827 -0.649 0.865 127 HA GLU 17 HA GLU 17 -6.561 -0.151 1.899 128 1HB GLU 17 1HB GLU 17 -4.222 1.397 1.798 129 2HB GLU 17 2HB GLU 17 -5.288 2.110 0.586 130 1HG GLU 17 1HG GLU 17 -6.182 3.205 2.373 131 2HG GLU 17 2HG GLU 17 -7.049 1.690 2.624 132 H TYR 18 H TYR 18 -4.840 -0.653 -1.082 133 HA TYR 18 HA TYR 18 -6.957 0.544 -2.735 134 1HB TYR 18 1HB TYR 18 -4.653 0.611 -3.550 135 2HB TYR 18 2HB TYR 18 -4.546 -1.148 -3.465 136 HD1 TYR 18 HD1 TYR 18 -6.942 1.400 -4.852 137 HD2 TYR 18 HD2 TYR 18 -4.776 -2.254 -5.495 138 HE1 TYR 18 HE1 TYR 18 -7.909 1.227 -7.131 139 HE2 TYR 18 HE2 TYR 18 -5.742 -2.425 -7.772 140 HH TYR 18 HH TYR 18 -6.902 -1.342 -9.361 141 H ARG 19 H ARG 19 -5.703 -2.777 -2.200 142 HA ARG 19 HA ARG 19 -7.739 -4.090 -3.703 143 1HB ARG 19 1HB ARG 19 -5.574 -4.853 -1.964 144 2HB ARG 19 2HB ARG 19 -7.016 -5.773 -1.532 145 1HG ARG 19 1HG ARG 19 -6.749 -5.591 -4.414 146 2HG ARG 19 2HG ARG 19 -5.289 -6.273 -3.696 147 1HD ARG 19 1HD ARG 19 -6.789 -7.834 -2.377 148 2HD ARG 19 2HD ARG 19 -8.134 -7.258 -3.361 149 HE ARG 19 HE ARG 19 -7.377 -8.803 -4.959 150 1HH1 ARG 19 1HH1 ARG 19 -5.107 -6.965 -5.698 151 2HH1 ARG 19 2HH1 ARG 19 -3.735 -8.005 -5.511 152 1HH2 ARG 19 1HH2 ARG 19 -5.448 -10.370 -3.643 153 2HH2 ARG 19 2HH2 ARG 19 -3.927 -9.930 -4.345 154 H TYR 20 H TYR 20 -7.609 -3.036 -0.326 155 HA TYR 20 HA TYR 20 -9.970 -4.325 0.595 156 1HB TYR 20 1HB TYR 20 -8.558 -3.291 2.222 157 2HB TYR 20 2HB TYR 20 -8.621 -1.736 1.392 158 HD1 TYR 20 HD1 TYR 20 -10.620 -0.318 1.512 159 HD2 TYR 20 HD2 TYR 20 -10.422 -4.072 3.591 160 HE1 TYR 20 HE1 TYR 20 -12.606 0.320 2.853 161 HE2 TYR 20 HE2 TYR 20 -12.407 -3.432 4.933 162 HH TYR 20 HH TYR 20 -14.173 -1.966 5.017 163 H ARG 21 H ARG 21 -9.495 -1.359 -1.260 164 HA ARG 21 HA ARG 21 -12.202 -0.402 -1.020 165 1HB ARG 21 1HB ARG 21 -9.839 0.548 -2.146 166 2HB ARG 21 2HB ARG 21 -10.889 0.283 -3.539 167 1HG ARG 21 1HG ARG 21 -12.421 1.864 -2.862 168 2HG ARG 21 2HG ARG 21 -12.089 1.608 -1.150 169 1HD ARG 21 1HD ARG 21 -9.797 2.663 -1.586 170 2HD ARG 21 2HD ARG 21 -10.444 3.171 -3.147 171 HE ARG 21 HE ARG 21 -11.001 4.446 -0.645 172 1HH1 ARG 21 1HH2 ARG 21 -11.432 5.882 -3.157 173 2HH1 ARG 21 2HH2 ARG 21 -13.158 5.944 -3.295 174 1HH2 ARG 21 1HH1 ARG 21 -13.699 3.417 -0.985 175 2HH2 ARG 21 2HH1 ARG 21 -14.440 4.550 -2.065 176 H SER 22 H SER 22 -10.635 -2.759 -3.087 177 HA SER 22 HA SER 22 -12.907 -2.892 -4.947 178 1HB SER 22 1HB SER 22 -10.908 -3.447 -6.030 179 2HB SER 22 2HB SER 22 -10.290 -4.342 -4.644 180 HG SER 22 HG SER 22 -11.625 -5.260 -6.747 181 H VAL 23 H VAL 23 -12.037 -4.262 -1.922 182 HA VAL 23 HA VAL 23 -13.565 -6.727 -2.211 183 HB VAL 23 HB VAL 23 -12.613 -5.298 0.291 184 1HG1 VAL 23 1HG1 VAL 23 -14.152 -7.744 -0.208 185 2HG1 VAL 23 2HG1 VAL 23 -12.710 -8.022 0.768 186 3HG1 VAL 23 3HG1 VAL 23 -13.919 -6.852 1.296 187 1HG2 VAL 23 1HG2 VAL 23 -10.941 -6.131 -1.577 188 2HG2 VAL 23 2HG2 VAL 23 -10.611 -6.488 0.120 189 3HG2 VAL 23 3HG2 VAL 23 -11.320 -7.724 -0.921 190 H ILE 24 H ILE 24 -14.177 -3.468 -1.003 191 HA ILE 24 HA ILE 24 -16.975 -4.273 -0.346 192 HB ILE 24 HB ILE 24 -15.350 -1.825 0.405 193 1HG1 ILE 24 1HG1 ILE 24 -15.826 -2.742 2.724 194 2HG1 ILE 24 2HG1 ILE 24 -16.445 -4.196 1.942 195 1HG2 ILE 24 1HG2 ILE 24 -18.241 -2.287 0.312 196 2HG2 ILE 24 2HG2 ILE 24 -17.675 -1.834 1.920 197 3HG2 ILE 24 3HG2 ILE 24 -17.353 -0.781 0.542 198 1HD1 ILE 24 1HD1 ILE 24 -13.862 -3.431 0.846 199 2HD1 ILE 24 2HD1 ILE 24 -13.772 -3.671 2.591 200 3HD1 ILE 24 3HD1 ILE 24 -14.362 -4.968 1.553 201 H LYS 25 H LYS 25 -15.021 -2.393 -2.510 202 HA LYS 25 HA LYS 25 -15.594 -0.876 -4.223 203 1HB LYS 25 1HB LYS 25 -16.097 -3.017 -5.250 204 2HB LYS 25 2HB LYS 25 -17.678 -3.057 -4.473 205 1HG LYS 25 1HG LYS 25 -18.113 -2.294 -6.680 206 2HG LYS 25 2HG LYS 25 -18.137 -0.832 -5.691 207 1HD LYS 25 1HD LYS 25 -15.937 -0.213 -6.380 208 2HD LYS 25 2HD LYS 25 -15.636 -1.800 -7.088 209 1HE LYS 25 1HE LYS 25 -17.971 -0.861 -8.361 210 2HE LYS 25 2HE LYS 25 -16.854 0.520 -8.323 211 1HZ LYS 25 1HZ LYS 25 -16.083 -2.235 -9.127 212 2HZ LYS 25 2HZ LYS 25 -16.460 -0.995 -10.225 213 3HZ LYS 25 3HZ LYS 25 -15.113 -0.842 -9.205 214 H ALA 26 H ALA 26 -18.958 -1.789 -3.955 215 HA ALA 26 HA ALA 26 -19.818 0.937 -3.731 216 1HB ALA 26 1HB ALA 26 -21.163 -1.047 -4.621 217 2HB ALA 26 2HB ALA 26 -21.448 -1.487 -2.938 218 3HB ALA 26 3HB ALA 26 -22.035 0.057 -3.557 Start of MODEL 5 1 1H MET 1 1H MET 1 20.111 0.749 2.204 2 2H MET 1 2H MET 1 20.736 -0.562 1.323 3 3H MET 1 3H MET 1 21.270 1.014 0.991 4 HA MET 1 HA MET 1 19.764 0.941 -0.672 5 1HB MET 1 1HB MET 1 18.941 -1.377 0.997 6 2HB MET 1 2HB MET 1 17.703 -0.722 -0.077 7 1HG MET 1 1HG MET 1 20.002 -0.784 -1.655 8 2HG MET 1 2HG MET 1 20.075 -2.285 -0.733 9 1HE MET 1 1HE MET 1 17.945 -3.225 0.012 10 2HE MET 1 2HE MET 1 16.414 -3.269 -0.872 11 3HE MET 1 3HE MET 1 17.700 -4.402 -1.275 12 HA PRO 2 HA PRO 2 17.244 3.524 2.254 13 1HB PRO 2 1HB PRO 2 18.261 5.955 1.534 14 2HB PRO 2 2HB PRO 2 18.978 4.950 2.809 15 1HG PRO 2 1HG PRO 2 19.878 5.399 0.026 16 2HG PRO 2 2HG PRO 2 20.826 5.085 1.485 17 1HD PRO 2 1HD PRO 2 20.234 3.220 -0.488 18 2HD PRO 2 2HD PRO 2 20.780 2.841 1.158 19 H GLY 3 H GLY 3 15.690 5.323 1.538 20 1HA GLY 3 1HA GLY 3 14.070 6.088 0.021 21 2HA GLY 3 2HA GLY 3 15.351 6.052 -1.193 22 H THR 4 H THR 4 14.839 3.064 0.385 23 HA THR 4 HA THR 4 13.246 2.106 -1.955 24 HB THR 4 HB THR 4 15.838 1.352 -1.199 25 HG1 THR 4 HG1 THR 4 13.916 -0.034 -2.751 26 1HG2 THR 4 1HG2 THR 4 13.827 -0.758 -0.370 27 2HG2 THR 4 2HG2 THR 4 15.524 -1.104 -0.702 28 3HG2 THR 4 3HG2 THR 4 15.086 -0.032 0.629 29 H ILE 5 H ILE 5 14.008 1.463 1.472 30 HA ILE 5 HA ILE 5 11.771 -0.306 1.878 31 HB ILE 5 HB ILE 5 13.223 1.365 3.950 32 1HG1 ILE 5 1HG1 ILE 5 14.758 0.007 2.501 33 2HG1 ILE 5 2HG1 ILE 5 14.749 -0.519 4.183 34 1HG2 ILE 5 1HG2 ILE 5 11.028 -0.428 4.101 35 2HG2 ILE 5 2HG2 ILE 5 12.421 -1.275 4.771 36 3HG2 ILE 5 3HG2 ILE 5 11.931 0.282 5.439 37 1HD1 ILE 5 1HD1 ILE 5 12.699 -2.009 3.097 38 2HD1 ILE 5 2HD1 ILE 5 13.863 -1.948 1.773 39 3HD1 ILE 5 3HD1 ILE 5 14.347 -2.586 3.344 40 H LYS 6 H LYS 6 12.270 3.174 2.550 41 HA LYS 6 HA LYS 6 9.877 3.792 3.822 42 1HB LYS 6 1HB LYS 6 11.873 5.294 2.748 43 2HB LYS 6 2HB LYS 6 10.577 5.625 1.599 44 1HG LYS 6 1HG LYS 6 9.343 5.748 4.110 45 2HG LYS 6 2HG LYS 6 10.888 6.568 4.330 46 1HD LYS 6 1HD LYS 6 9.791 7.372 1.809 47 2HD LYS 6 2HD LYS 6 8.549 7.567 3.045 48 1HE LYS 6 1HE LYS 6 9.926 9.016 4.352 49 2HE LYS 6 2HE LYS 6 11.381 8.578 3.434 50 1HZ LYS 6 1HZ LYS 6 8.980 9.814 2.200 51 2HZ LYS 6 2HZ LYS 6 10.319 10.716 2.730 52 3HZ LYS 6 3HZ LYS 6 10.503 9.577 1.486 53 H GLU 7 H GLU 7 10.410 3.037 0.424 54 HA GLU 7 HA GLU 7 7.754 3.739 -0.467 55 1HB GLU 7 1HB GLU 7 9.746 1.761 -1.621 56 2HB GLU 7 2HB GLU 7 8.308 2.357 -2.449 57 1HG GLU 7 1HG GLU 7 10.016 4.488 -1.357 58 2HG GLU 7 2HG GLU 7 10.795 3.517 -2.606 59 H ASN 8 H ASN 8 9.242 0.522 0.098 60 HA ASN 8 HA ASN 8 6.861 -0.979 -0.075 61 1HB ASN 8 1HB ASN 8 9.029 -2.066 0.012 62 2HB ASN 8 2HB ASN 8 9.282 -1.460 1.642 63 1HD2 ASN 8 2HD2 ASN 8 8.361 -2.641 3.384 64 2HD2 ASN 8 1HD2 ASN 8 7.400 -4.024 3.170 65 H ILE 9 H ILE 9 7.895 1.219 2.359 66 HA ILE 9 HA ILE 9 6.012 0.124 4.370 67 HB ILE 9 HB ILE 9 7.746 2.596 4.547 68 1HG1 ILE 9 1HG1 ILE 9 8.865 0.272 4.056 69 2HG1 ILE 9 2HG1 ILE 9 9.515 1.295 5.331 70 1HG2 ILE 9 1HG2 ILE 9 5.993 1.065 6.402 71 2HG2 ILE 9 2HG2 ILE 9 7.515 1.661 7.063 72 3HG2 ILE 9 3HG2 ILE 9 6.355 2.791 6.363 73 1HD1 ILE 9 1HD1 ILE 9 7.434 -0.828 5.876 74 2HD1 ILE 9 2HD1 ILE 9 9.163 -1.172 5.930 75 3HD1 ILE 9 3HD1 ILE 9 8.462 0.005 7.041 76 H ILE 10 H ILE 10 6.007 2.321 1.791 77 HA ILE 10 HA ILE 10 3.661 3.773 2.965 78 HB ILE 10 HB ILE 10 5.929 4.911 2.010 79 1HG1 ILE 10 1HG1 ILE 10 4.205 6.160 3.121 80 2HG1 ILE 10 2HG1 ILE 10 4.483 6.945 1.566 81 1HG2 ILE 10 1HG2 ILE 10 5.480 3.929 -0.276 82 2HG2 ILE 10 2HG2 ILE 10 4.059 4.970 -0.367 83 3HG2 ILE 10 3HG2 ILE 10 5.667 5.683 -0.251 84 1HD1 ILE 10 1HD1 ILE 10 2.588 5.296 0.747 85 2HD1 ILE 10 2HD1 ILE 10 2.157 5.276 2.457 86 3HD1 ILE 10 3HD1 ILE 10 2.162 6.798 1.567 87 H PHE 11 H PHE 11 5.026 2.155 0.193 88 HA PHE 11 HA PHE 11 2.859 2.306 -1.603 89 1HB PHE 11 1HB PHE 11 5.381 1.128 -1.455 90 2HB PHE 11 2HB PHE 11 4.282 -0.230 -1.603 91 HD1 PHE 11 HD1 PHE 11 5.151 3.070 -3.081 92 HD2 PHE 11 HD2 PHE 11 3.289 -0.750 -3.681 93 HE1 PHE 11 HE1 PHE 11 4.888 3.579 -5.500 94 HE2 PHE 11 HE2 PHE 11 3.022 -0.246 -6.102 95 HZ PHE 11 HZ PHE 11 3.823 1.920 -7.009 96 H GLY 12 H GLY 12 3.445 0.297 1.220 97 1HA GLY 12 1HA GLY 12 1.284 -1.576 0.681 98 2HA GLY 12 2HA GLY 12 2.120 -1.381 2.226 99 H VAL 13 H VAL 13 1.685 1.315 2.726 100 HA VAL 13 HA VAL 13 -0.879 1.366 3.908 101 HB VAL 13 HB VAL 13 1.101 3.497 3.121 102 1HG1 VAL 13 1HG1 VAL 13 -1.771 3.869 3.799 103 2HG1 VAL 13 2HG1 VAL 13 -0.624 4.919 4.632 104 3HG1 VAL 13 3HG1 VAL 13 -0.689 4.908 2.870 105 1HG2 VAL 13 1HG2 VAL 13 0.012 2.305 5.670 106 2HG2 VAL 13 2HG2 VAL 13 1.685 2.379 5.120 107 3HG2 VAL 13 3HG2 VAL 13 0.875 3.842 5.678 108 H SER 14 H SER 14 0.130 1.938 0.640 109 HA SER 14 HA SER 14 -2.481 3.143 -0.084 110 1HB SER 14 1HB SER 14 -0.057 3.758 -1.019 111 2HB SER 14 2HB SER 14 -0.408 2.433 -2.124 112 HG SER 14 HG SER 14 -2.482 3.567 -2.451 113 H TYR 15 H TYR 15 -0.480 0.291 -0.842 114 HA TYR 15 HA TYR 15 -2.420 -0.976 -2.542 115 1HB TYR 15 1HB TYR 15 0.139 -1.500 -2.030 116 2HB TYR 15 2HB TYR 15 -0.564 -2.611 -0.860 117 HD1 TYR 15 HD1 TYR 15 -1.700 -1.538 -4.269 118 HD2 TYR 15 HD2 TYR 15 -0.442 -4.774 -1.740 119 HE1 TYR 15 HE1 TYR 15 -2.194 -3.151 -6.087 120 HE2 TYR 15 HE2 TYR 15 -0.937 -6.386 -3.557 121 HH TYR 15 HH TYR 15 -2.064 -6.623 -5.546 122 H ASP 16 H ASP 16 -1.525 -1.676 0.859 123 HA ASP 16 HA ASP 16 -3.580 -3.489 1.453 124 1HB ASP 16 1HB ASP 16 -2.464 -1.300 3.241 125 2HB ASP 16 2HB ASP 16 -3.402 -2.684 3.802 126 H GLU 17 H GLU 17 -3.715 -0.076 0.860 127 HA GLU 17 HA GLU 17 -6.488 0.151 1.862 128 1HB GLU 17 1HB GLU 17 -4.714 1.996 2.095 129 2HB GLU 17 2HB GLU 17 -4.903 2.247 0.360 130 1HG GLU 17 1HG GLU 17 -7.364 2.160 2.065 131 2HG GLU 17 2HG GLU 17 -6.377 3.622 2.081 132 H TYR 18 H TYR 18 -4.709 -0.329 -1.096 133 HA TYR 18 HA TYR 18 -6.943 0.413 -2.838 134 1HB TYR 18 1HB TYR 18 -4.214 0.079 -3.201 135 2HB TYR 18 2HB TYR 18 -4.898 -1.340 -3.996 136 HD1 TYR 18 HD1 TYR 18 -5.411 2.366 -3.721 137 HD2 TYR 18 HD2 TYR 18 -5.713 -1.146 -6.177 138 HE1 TYR 18 HE1 TYR 18 -6.096 3.771 -5.646 139 HE2 TYR 18 HE2 TYR 18 -6.397 0.259 -8.102 140 HH TYR 18 HH TYR 18 -6.730 2.323 -8.844 141 H ARG 19 H ARG 19 -5.446 -2.623 -1.716 142 HA ARG 19 HA ARG 19 -7.232 -4.347 -3.174 143 1HB ARG 19 1HB ARG 19 -5.712 -4.907 -0.608 144 2HB ARG 19 2HB ARG 19 -6.402 -6.118 -1.689 145 1HG ARG 19 1HG ARG 19 -4.866 -5.615 -3.419 146 2HG ARG 19 2HG ARG 19 -4.407 -4.081 -2.679 147 1HD ARG 19 1HD ARG 19 -2.751 -5.105 -1.559 148 2HD ARG 19 2HD ARG 19 -3.926 -6.160 -0.778 149 HE ARG 19 HE ARG 19 -3.325 -7.052 -3.468 150 1HH1 ARG 19 1HH1 ARG 19 -1.777 -6.661 -0.438 151 2HH1 ARG 19 2HH1 ARG 19 -1.032 -8.224 -0.454 152 1HH2 ARG 19 1HH2 ARG 19 -2.562 -9.215 -3.405 153 2HH2 ARG 19 2HH2 ARG 19 -1.479 -9.671 -2.133 154 H TYR 20 H TYR 20 -7.585 -2.497 -0.274 155 HA TYR 20 HA TYR 20 -9.717 -4.116 0.872 156 1HB TYR 20 1HB TYR 20 -8.465 -2.714 2.375 157 2HB TYR 20 2HB TYR 20 -8.779 -1.283 1.391 158 HD1 TYR 20 HD1 TYR 20 -10.684 -4.026 3.110 159 HD2 TYR 20 HD2 TYR 20 -10.502 0.135 2.056 160 HE1 TYR 20 HE1 TYR 20 -12.783 -3.617 4.365 161 HE2 TYR 20 HE2 TYR 20 -12.601 0.543 3.312 162 HH TYR 20 HH TYR 20 -13.825 -0.598 5.269 163 H ARG 21 H ARG 21 -9.522 -1.410 -1.370 164 HA ARG 21 HA ARG 21 -12.433 -0.983 -1.302 165 1HB ARG 21 1HB ARG 21 -10.284 0.628 -1.943 166 2HB ARG 21 2HB ARG 21 -10.937 0.216 -3.529 167 1HG ARG 21 1HG ARG 21 -13.161 0.966 -2.844 168 2HG ARG 21 2HG ARG 21 -12.569 1.303 -1.218 169 1HD ARG 21 1HD ARG 21 -10.852 2.622 -3.091 170 2HD ARG 21 2HD ARG 21 -12.522 3.027 -3.487 171 HE ARG 21 HE ARG 21 -11.169 3.628 -0.910 172 1HH1 ARG 21 1HH1 ARG 21 -14.054 2.982 -0.483 173 2HH1 ARG 21 2HH1 ARG 21 -14.810 4.528 -0.675 174 1HH2 ARG 21 1HH2 ARG 21 -12.078 5.966 -2.251 175 2HH2 ARG 21 2HH2 ARG 21 -13.691 6.218 -1.674 176 H SER 22 H SER 22 -10.013 -2.357 -3.513 177 HA SER 22 HA SER 22 -11.892 -2.936 -5.621 178 1HB SER 22 1HB SER 22 -9.461 -2.831 -6.023 179 2HB SER 22 2HB SER 22 -9.225 -4.233 -4.984 180 HG SER 22 HG SER 22 -9.637 -4.301 -7.513 181 H VAL 23 H VAL 23 -10.827 -4.701 -2.754 182 HA VAL 23 HA VAL 23 -12.064 -7.206 -3.548 183 HB VAL 23 HB VAL 23 -10.200 -6.967 -1.852 184 1HG1 VAL 23 1HG1 VAL 23 -11.280 -5.001 -0.694 185 2HG1 VAL 23 2HG1 VAL 23 -12.465 -6.121 -0.026 186 3HG1 VAL 23 3HG1 VAL 23 -10.763 -6.284 0.399 187 1HG2 VAL 23 1HG2 VAL 23 -12.741 -8.490 -1.444 188 2HG2 VAL 23 2HG2 VAL 23 -11.114 -9.092 -1.762 189 3HG2 VAL 23 3HG2 VAL 23 -11.545 -8.526 -0.148 190 H ILE 24 H ILE 24 -13.018 -4.564 -1.334 191 HA ILE 24 HA ILE 24 -15.812 -5.607 -1.531 192 HB ILE 24 HB ILE 24 -14.430 -4.320 0.839 193 1HG1 ILE 24 1HG1 ILE 24 -15.848 -6.796 1.309 194 2HG1 ILE 24 2HG1 ILE 24 -14.693 -7.002 -0.009 195 1HG2 ILE 24 1HG2 ILE 24 -17.309 -4.719 0.148 196 2HG2 ILE 24 2HG2 ILE 24 -16.822 -5.043 1.812 197 3HG2 ILE 24 3HG2 ILE 24 -16.553 -3.448 1.108 198 1HD1 ILE 24 1HD1 ILE 24 -13.130 -5.624 1.670 199 2HD1 ILE 24 2HD1 ILE 24 -14.202 -6.362 2.860 200 3HD1 ILE 24 3HD1 ILE 24 -13.272 -7.380 1.759 201 H LYS 25 H LYS 25 -14.799 -3.790 -3.386 202 HA LYS 25 HA LYS 25 -14.942 -1.065 -2.907 203 1HB LYS 25 1HB LYS 25 -15.153 -2.767 -5.177 204 2HB LYS 25 2HB LYS 25 -16.474 -1.605 -5.273 205 1HG LYS 25 1HG LYS 25 -14.153 -0.191 -4.414 206 2HG LYS 25 2HG LYS 25 -13.696 -1.172 -5.808 207 1HD LYS 25 1HD LYS 25 -16.274 -0.005 -6.297 208 2HD LYS 25 2HD LYS 25 -15.153 1.266 -5.808 209 1HE LYS 25 1HE LYS 25 -13.833 1.008 -7.680 210 2HE LYS 25 2HE LYS 25 -14.135 -0.739 -7.775 211 1HZ LYS 25 1HZ LYS 25 -16.215 1.319 -8.275 212 2HZ LYS 25 2HZ LYS 25 -15.306 0.592 -9.511 213 3HZ LYS 25 3HZ LYS 25 -16.334 -0.353 -8.550 214 H ALA 26 H ALA 26 -17.583 -3.379 -2.911 215 HA ALA 26 HA ALA 26 -19.321 -1.419 -1.612 216 1HB ALA 26 1HB ALA 26 -19.445 -1.705 -4.450 217 2HB ALA 26 2HB ALA 26 -20.899 -2.438 -3.773 218 3HB ALA 26 3HB ALA 26 -20.507 -0.758 -3.407 Start of MODEL 6 1 1H MET 1 1H MET 1 20.147 6.219 -4.219 2 2H MET 1 2H MET 1 19.920 5.187 -5.545 3 3H MET 1 3H MET 1 20.128 6.855 -5.795 4 HA MET 1 HA MET 1 18.007 7.385 -5.095 5 1HB MET 1 1HB MET 1 18.314 4.813 -6.579 6 2HB MET 1 2HB MET 1 16.684 5.258 -6.071 7 1HG MET 1 1HG MET 1 17.299 7.601 -7.073 8 2HG MET 1 2HG MET 1 18.537 6.700 -7.948 9 1HE MET 1 1HE MET 1 16.839 8.125 -9.756 10 2HE MET 1 2HE MET 1 15.215 7.563 -10.141 11 3HE MET 1 3HE MET 1 15.543 8.329 -8.582 12 HA PRO 2 HA PRO 2 17.599 5.170 -1.136 13 1HB PRO 2 1HB PRO 2 16.520 7.305 0.193 14 2HB PRO 2 2HB PRO 2 18.267 7.092 -0.032 15 1HG PRO 2 1HG PRO 2 16.368 8.840 -1.513 16 2HG PRO 2 2HG PRO 2 18.040 9.151 -1.018 17 1HD PRO 2 1HD PRO 2 17.315 8.457 -3.560 18 2HD PRO 2 2HD PRO 2 18.914 8.117 -2.860 19 H GLY 3 H GLY 3 15.441 5.364 0.395 20 1HA GLY 3 1HA GLY 3 13.053 5.358 0.495 21 2HA GLY 3 2HA GLY 3 13.002 5.691 -1.236 22 H THR 4 H THR 4 14.449 3.085 0.755 23 HA THR 4 HA THR 4 13.207 1.148 -1.148 24 HB THR 4 HB THR 4 15.837 1.374 -0.470 25 HG1 THR 4 HG1 THR 4 15.808 -0.983 -1.062 26 1HG2 THR 4 1HG2 THR 4 14.644 -0.697 1.394 27 2HG2 THR 4 2HG2 THR 4 16.361 -0.572 1.014 28 3HG2 THR 4 3HG2 THR 4 15.549 0.745 1.857 29 H ILE 5 H ILE 5 13.956 1.593 2.310 30 HA ILE 5 HA ILE 5 12.057 -0.515 3.063 31 HB ILE 5 HB ILE 5 13.593 1.477 4.758 32 1HG1 ILE 5 1HG1 ILE 5 14.108 -1.463 4.212 33 2HG1 ILE 5 2HG1 ILE 5 14.981 -0.141 3.438 34 1HG2 ILE 5 1HG2 ILE 5 11.525 0.551 5.824 35 2HG2 ILE 5 2HG2 ILE 5 12.158 -1.072 5.559 36 3HG2 ILE 5 3HG2 ILE 5 13.004 0.039 6.635 37 1HD1 ILE 5 1HD1 ILE 5 14.812 -0.407 6.444 38 2HD1 ILE 5 2HD1 ILE 5 16.090 -1.179 5.504 39 3HD1 ILE 5 3HD1 ILE 5 15.931 0.576 5.500 40 H LYS 6 H LYS 6 12.257 3.039 3.416 41 HA LYS 6 HA LYS 6 9.872 3.522 4.781 42 1HB LYS 6 1HB LYS 6 11.637 5.189 3.815 43 2HB LYS 6 2HB LYS 6 10.603 5.196 2.387 44 1HG LYS 6 1HG LYS 6 8.657 5.709 3.951 45 2HG LYS 6 2HG LYS 6 9.861 5.992 5.209 46 1HD LYS 6 1HD LYS 6 10.079 7.371 2.540 47 2HD LYS 6 2HD LYS 6 9.049 8.029 3.812 48 1HE LYS 6 1HE LYS 6 11.313 7.545 5.245 49 2HE LYS 6 2HE LYS 6 12.010 7.929 3.658 50 1HZ LYS 6 1HZ LYS 6 10.273 9.805 3.656 51 2HZ LYS 6 2HZ LYS 6 10.219 9.570 5.334 52 3HZ LYS 6 3HZ LYS 6 11.678 10.011 4.586 53 H GLU 7 H GLU 7 10.333 2.745 1.361 54 HA GLU 7 HA GLU 7 7.466 3.003 0.787 55 1HB GLU 7 1HB GLU 7 8.038 2.441 -1.454 56 2HB GLU 7 2HB GLU 7 9.363 3.434 -0.861 57 1HG GLU 7 1HG GLU 7 10.744 1.499 -0.463 58 2HG GLU 7 2HG GLU 7 9.398 0.410 -0.799 59 H ASN 8 H ASN 8 9.815 0.427 1.376 60 HA ASN 8 HA ASN 8 8.001 -1.738 0.819 61 1HB ASN 8 1HB ASN 8 10.378 -2.164 0.841 62 2HB ASN 8 2HB ASN 8 10.489 -1.595 2.499 63 1HD2 ASN 8 2HD2 ASN 8 10.495 -3.251 4.025 64 2HD2 ASN 8 1HD2 ASN 8 9.778 -4.774 3.808 65 H ILE 9 H ILE 9 8.022 0.595 3.222 66 HA ILE 9 HA ILE 9 6.701 -1.204 5.209 67 HB ILE 9 HB ILE 9 7.822 1.595 5.459 68 1HG1 ILE 9 1HG1 ILE 9 8.635 -1.111 6.550 69 2HG1 ILE 9 2HG1 ILE 9 9.534 -0.126 5.398 70 1HG2 ILE 9 1HG2 ILE 9 6.225 -0.137 7.348 71 2HG2 ILE 9 2HG2 ILE 9 7.326 1.101 7.951 72 3HG2 ILE 9 3HG2 ILE 9 5.964 1.555 6.930 73 1HD1 ILE 9 1HD1 ILE 9 9.736 1.658 7.099 74 2HD1 ILE 9 2HD1 ILE 9 8.890 0.631 8.256 75 3HD1 ILE 9 3HD1 ILE 9 10.473 0.149 7.641 76 H ILE 10 H ILE 10 6.056 1.070 2.792 77 HA ILE 10 HA ILE 10 3.392 1.717 3.984 78 HB ILE 10 HB ILE 10 5.252 3.436 2.893 79 1HG1 ILE 10 1HG1 ILE 10 3.356 4.082 4.284 80 2HG1 ILE 10 2HG1 ILE 10 3.364 5.061 2.817 81 1HG2 ILE 10 1HG2 ILE 10 4.893 2.539 0.618 82 2HG2 ILE 10 2HG2 ILE 10 3.173 2.903 0.749 83 3HG2 ILE 10 3HG2 ILE 10 4.353 4.213 0.738 84 1HD1 ILE 10 1HD1 ILE 10 1.817 3.138 1.887 85 2HD1 ILE 10 2HD1 ILE 10 1.516 2.830 3.596 86 3HD1 ILE 10 3HD1 ILE 10 1.131 4.405 2.904 87 H PHE 11 H PHE 11 5.035 0.711 1.013 88 HA PHE 11 HA PHE 11 2.947 0.156 -0.693 89 1HB PHE 11 1HB PHE 11 4.890 -0.465 -1.698 90 2HB PHE 11 2HB PHE 11 5.650 -0.880 -0.173 91 HD1 PHE 11 HD1 PHE 11 3.249 -2.126 -2.728 92 HD2 PHE 11 HD2 PHE 11 5.855 -3.118 0.534 93 HE1 PHE 11 HE1 PHE 11 2.928 -4.543 -3.213 94 HE2 PHE 11 HE2 PHE 11 5.538 -5.535 0.055 95 HZ PHE 11 HZ PHE 11 4.074 -6.246 -1.819 96 H GLY 12 H GLY 12 3.854 -1.535 2.251 97 1HA GLY 12 1HA GLY 12 1.989 -3.748 1.790 98 2HA GLY 12 2HA GLY 12 2.910 -3.459 3.268 99 H VAL 13 H VAL 13 2.053 -0.717 3.607 100 HA VAL 13 HA VAL 13 -0.523 -1.231 4.893 101 HB VAL 13 HB VAL 13 1.071 1.337 4.622 102 1HG1 VAL 13 1HG1 VAL 13 -1.558 0.713 5.724 103 2HG1 VAL 13 2HG1 VAL 13 -0.480 1.398 6.941 104 3HG1 VAL 13 3HG1 VAL 13 -0.804 2.285 5.450 105 1HG2 VAL 13 1HG2 VAL 13 1.166 -0.993 6.482 106 2HG2 VAL 13 2HG2 VAL 13 2.469 0.068 5.941 107 3HG2 VAL 13 3HG2 VAL 13 1.352 0.611 7.194 108 H SER 14 H SER 14 0.605 0.129 1.906 109 HA SER 14 HA SER 14 -1.928 1.532 1.366 110 1HB SER 14 1HB SER 14 0.546 2.076 0.519 111 2HB SER 14 2HB SER 14 0.082 0.983 -0.782 112 HG SER 14 HG SER 14 -1.718 2.971 0.021 113 H TYR 15 H TYR 15 -0.223 -1.394 0.267 114 HA TYR 15 HA TYR 15 -2.124 -2.181 -1.712 115 1HB TYR 15 1HB TYR 15 0.243 -3.168 -1.000 116 2HB TYR 15 2HB TYR 15 -0.759 -4.251 -0.040 117 HD1 TYR 15 HD1 TYR 15 -1.256 -2.695 -3.420 118 HD2 TYR 15 HD2 TYR 15 -0.913 -6.309 -1.126 119 HE1 TYR 15 HE1 TYR 15 -1.777 -4.030 -5.445 120 HE2 TYR 15 HE2 TYR 15 -1.433 -7.644 -3.149 121 HH TYR 15 HH TYR 15 -2.865 -6.892 -5.528 122 H ASP 16 H ASP 16 -1.769 -3.308 1.665 123 HA ASP 16 HA ASP 16 -4.117 -4.837 1.835 124 1HB ASP 16 1HB ASP 16 -2.386 -3.410 3.742 125 2HB ASP 16 2HB ASP 16 -4.055 -3.570 4.291 126 H GLU 17 H GLU 17 -3.701 -1.405 1.598 127 HA GLU 17 HA GLU 17 -6.535 -0.876 2.277 128 1HB GLU 17 1HB GLU 17 -4.093 0.638 2.336 129 2HB GLU 17 2HB GLU 17 -5.236 1.450 1.267 130 1HG GLU 17 1HG GLU 17 -5.996 0.468 4.026 131 2HG GLU 17 2HG GLU 17 -5.390 2.098 3.727 132 H TYR 18 H TYR 18 -4.427 -1.294 -0.459 133 HA TYR 18 HA TYR 18 -6.168 0.035 -2.382 134 1HB TYR 18 1HB TYR 18 -3.828 -1.865 -2.644 135 2HB TYR 18 2HB TYR 18 -4.719 -1.271 -4.044 136 HD1 TYR 18 HD1 TYR 18 -4.768 1.118 -1.401 137 HD2 TYR 18 HD2 TYR 18 -2.308 -0.389 -4.583 138 HE1 TYR 18 HE1 TYR 18 -3.436 3.209 -1.361 139 HE2 TYR 18 HE2 TYR 18 -0.975 1.701 -4.544 140 HH TYR 18 HH TYR 18 -0.453 3.519 -3.041 141 H ARG 19 H ARG 19 -5.333 -3.423 -1.904 142 HA ARG 19 HA ARG 19 -7.391 -4.428 -3.590 143 1HB ARG 19 1HB ARG 19 -5.647 -5.547 -1.453 144 2HB ARG 19 2HB ARG 19 -7.099 -6.466 -1.854 145 1HG ARG 19 1HG ARG 19 -5.952 -5.624 -4.311 146 2HG ARG 19 2HG ARG 19 -4.642 -6.278 -3.330 147 1HD ARG 19 1HD ARG 19 -5.446 -8.396 -3.463 148 2HD ARG 19 2HD ARG 19 -7.111 -7.870 -3.211 149 HE ARG 19 HE ARG 19 -5.724 -7.836 -5.859 150 1HH1 ARG 19 1HH1 ARG 19 -8.206 -9.310 -4.271 151 2HH1 ARG 19 2HH1 ARG 19 -9.456 -8.867 -5.384 152 1HH2 ARG 19 1HH2 ARG 19 -7.474 -6.618 -7.128 153 2HH2 ARG 19 2HH2 ARG 19 -9.043 -7.342 -7.000 154 H TYR 20 H TYR 20 -7.526 -3.059 -0.434 155 HA TYR 20 HA TYR 20 -10.017 -4.360 0.357 156 1HB TYR 20 1HB TYR 20 -8.449 -3.519 2.057 157 2HB TYR 20 2HB TYR 20 -8.635 -1.881 1.430 158 HD1 TYR 20 HD1 TYR 20 -10.939 -4.704 2.351 159 HD2 TYR 20 HD2 TYR 20 -10.010 -0.527 2.716 160 HE1 TYR 20 HE1 TYR 20 -12.938 -4.385 3.786 161 HE2 TYR 20 HE2 TYR 20 -12.006 -0.208 4.150 162 HH TYR 20 HH TYR 20 -13.415 -2.072 5.775 163 H ARG 21 H ARG 21 -9.220 -0.957 -0.436 164 HA ARG 21 HA ARG 21 -11.818 0.041 -0.650 165 1HB ARG 21 1HB ARG 21 -9.777 1.429 -0.876 166 2HB ARG 21 2HB ARG 21 -9.474 0.709 -2.458 167 1HG ARG 21 1HG ARG 21 -12.186 1.632 -2.383 168 2HG ARG 21 2HG ARG 21 -11.131 2.939 -1.849 169 1HD ARG 21 1HD ARG 21 -10.595 1.313 -4.344 170 2HD ARG 21 2HD ARG 21 -11.512 2.819 -4.359 171 HE ARG 21 HE ARG 21 -9.127 3.428 -3.031 172 1HH1 ARG 21 1HH2 ARG 21 -9.977 4.685 -5.631 173 2HH1 ARG 21 2HH2 ARG 21 -8.685 4.221 -6.688 174 1HH2 ARG 21 1HH1 ARG 21 -7.502 1.730 -4.588 175 2HH2 ARG 21 2HH1 ARG 21 -7.284 2.550 -6.098 176 H SER 22 H SER 22 -9.965 -1.811 -3.030 177 HA SER 22 HA SER 22 -11.706 -1.552 -5.246 178 1HB SER 22 1HB SER 22 -9.450 -2.667 -5.263 179 2HB SER 22 2HB SER 22 -10.185 -4.055 -4.465 180 HG SER 22 HG SER 22 -11.179 -4.573 -6.269 181 H VAL 23 H VAL 23 -11.840 -3.828 -2.505 182 HA VAL 23 HA VAL 23 -14.153 -5.237 -3.538 183 HB VAL 23 HB VAL 23 -12.429 -6.006 -1.746 184 1HG1 VAL 23 1HG1 VAL 23 -13.428 -3.839 -0.366 185 2HG1 VAL 23 2HG1 VAL 23 -14.320 -5.182 0.345 186 3HG1 VAL 23 3HG1 VAL 23 -12.557 -5.186 0.361 187 1HG2 VAL 23 1HG2 VAL 23 -14.475 -7.249 -2.490 188 2HG2 VAL 23 2HG2 VAL 23 -14.072 -7.529 -0.796 189 3HG2 VAL 23 3HG2 VAL 23 -15.385 -6.431 -1.221 190 H ILE 24 H ILE 24 -13.666 -2.354 -1.640 191 HA ILE 24 HA ILE 24 -16.533 -2.204 -0.921 192 HB ILE 24 HB ILE 24 -14.476 -0.052 -0.433 193 1HG1 ILE 24 1HG1 ILE 24 -13.423 -2.093 0.352 194 2HG1 ILE 24 2HG1 ILE 24 -14.039 -1.222 1.757 195 1HG2 ILE 24 1HG2 ILE 24 -17.068 0.049 0.032 196 2HG2 ILE 24 2HG2 ILE 24 -16.655 -0.943 1.430 197 3HG2 ILE 24 3HG2 ILE 24 -15.937 0.656 1.240 198 1HD1 ILE 24 1HD1 ILE 24 -16.114 -2.636 1.640 199 2HD1 ILE 24 2HD1 ILE 24 -15.341 -3.580 0.366 200 3HD1 ILE 24 3HD1 ILE 24 -14.651 -3.557 1.990 201 H LYS 25 H LYS 25 -14.826 -1.613 -3.656 202 HA LYS 25 HA LYS 25 -16.006 0.998 -4.326 203 1HB LYS 25 1HB LYS 25 -13.708 -0.056 -5.120 204 2HB LYS 25 2HB LYS 25 -14.723 -0.788 -6.363 205 1HG LYS 25 1HG LYS 25 -15.002 2.145 -5.795 206 2HG LYS 25 2HG LYS 25 -13.646 1.585 -6.773 207 1HD LYS 25 1HD LYS 25 -15.198 0.459 -8.312 208 2HD LYS 25 2HD LYS 25 -16.565 0.979 -7.327 209 1HE LYS 25 1HE LYS 25 -16.605 2.977 -8.391 210 2HE LYS 25 2HE LYS 25 -14.905 3.262 -7.970 211 1HZ LYS 25 1HZ LYS 25 -14.288 1.728 -9.783 212 2HZ LYS 25 2HZ LYS 25 -15.923 1.637 -10.241 213 3HZ LYS 25 3HZ LYS 25 -15.094 3.114 -10.347 214 H ALA 26 H ALA 26 -16.326 -2.382 -5.447 215 HA ALA 26 HA ALA 26 -18.052 -3.410 -6.664 216 1HB ALA 26 1HB ALA 26 -19.152 -2.388 -4.438 217 2HB ALA 26 2HB ALA 26 -20.023 -1.425 -5.631 218 3HB ALA 26 3HB ALA 26 -20.121 -3.185 -5.677 Start of MODEL 7 1 1H MET 1 1H MET 1 16.744 0.419 -5.279 2 2H MET 1 2H MET 1 17.323 0.521 -6.873 3 3H MET 1 3H MET 1 18.322 0.972 -5.580 4 HA MET 1 HA MET 1 17.579 3.003 -6.473 5 1HB MET 1 1HB MET 1 15.409 1.241 -7.172 6 2HB MET 1 2HB MET 1 14.755 2.699 -6.424 7 1HG MET 1 1HG MET 1 15.304 3.977 -8.204 8 2HG MET 1 2HG MET 1 16.922 3.283 -8.298 9 1HE MET 1 1HE MET 1 17.001 3.537 -10.578 10 2HE MET 1 2HE MET 1 17.589 1.870 -10.504 11 3HE MET 1 3HE MET 1 16.449 2.352 -11.759 12 HA PRO 2 HA PRO 2 16.767 4.126 -2.278 13 1HB PRO 2 1HB PRO 2 16.713 6.839 -2.635 14 2HB PRO 2 2HB PRO 2 18.216 5.895 -2.640 15 1HG PRO 2 1HG PRO 2 16.655 6.978 -4.927 16 2HG PRO 2 2HG PRO 2 18.408 6.848 -4.714 17 1HD PRO 2 1HD PRO 2 16.922 5.130 -6.242 18 2HD PRO 2 2HD PRO 2 18.470 4.699 -5.483 19 H GLY 3 H GLY 3 15.044 5.332 -1.042 20 1HA GLY 3 1HA GLY 3 12.832 6.087 -0.716 21 2HA GLY 3 2HA GLY 3 12.688 6.285 -2.463 22 H THR 4 H THR 4 13.487 3.364 -0.583 23 HA THR 4 HA THR 4 11.027 2.113 -1.737 24 HB THR 4 HB THR 4 13.598 1.431 -2.382 25 HG1 THR 4 HG1 THR 4 11.256 -0.140 -2.228 26 1HG2 THR 4 1HG2 THR 4 12.726 -0.431 -0.156 27 2HG2 THR 4 2HG2 THR 4 14.049 -0.755 -1.275 28 3HG2 THR 4 3HG2 THR 4 14.153 0.605 -0.155 29 H ILE 5 H ILE 5 13.379 1.955 0.931 30 HA ILE 5 HA ILE 5 11.923 0.211 2.625 31 HB ILE 5 HB ILE 5 13.796 2.502 3.277 32 1HG1 ILE 5 1HG1 ILE 5 14.906 0.026 3.964 33 2HG1 ILE 5 2HG1 ILE 5 14.097 -0.268 2.424 34 1HG2 ILE 5 1HG2 ILE 5 12.366 0.520 5.031 35 2HG2 ILE 5 2HG2 ILE 5 13.963 1.113 5.489 36 3HG2 ILE 5 3HG2 ILE 5 12.625 2.244 5.290 37 1HD1 ILE 5 1HD1 ILE 5 16.032 2.006 2.953 38 2HD1 ILE 5 2HD1 ILE 5 16.442 0.508 2.118 39 3HD1 ILE 5 3HD1 ILE 5 15.271 1.622 1.409 40 H LYS 6 H LYS 6 11.928 3.785 2.560 41 HA LYS 6 HA LYS 6 10.033 4.297 4.543 42 1HB LYS 6 1HB LYS 6 11.300 5.915 2.885 43 2HB LYS 6 2HB LYS 6 9.826 5.763 1.928 44 1HG LYS 6 1HG LYS 6 9.268 6.209 4.763 45 2HG LYS 6 2HG LYS 6 10.208 7.521 4.047 46 1HD LYS 6 1HD LYS 6 8.522 8.135 2.614 47 2HD LYS 6 2HD LYS 6 7.921 6.485 2.449 48 1HE LYS 6 1HE LYS 6 6.718 6.589 4.486 49 2HE LYS 6 2HE LYS 6 7.635 7.999 5.051 50 1HZ LYS 6 1HZ LYS 6 5.887 7.961 2.649 51 2HZ LYS 6 2HZ LYS 6 5.447 8.619 4.149 52 3HZ LYS 6 3HZ LYS 6 6.723 9.306 3.263 53 H GLU 7 H GLU 7 9.526 3.150 1.245 54 HA GLU 7 HA GLU 7 6.637 3.309 1.345 55 1HB GLU 7 1HB GLU 7 8.206 1.330 -0.316 56 2HB GLU 7 2HB GLU 7 6.669 2.107 -0.695 57 1HG GLU 7 1HG GLU 7 8.277 4.287 -0.367 58 2HG GLU 7 2HG GLU 7 9.426 3.122 -1.026 59 H ASN 8 H ASN 8 9.002 0.702 1.906 60 HA ASN 8 HA ASN 8 7.265 -1.416 2.454 61 1HB ASN 8 1HB ASN 8 9.595 -1.868 2.473 62 2HB ASN 8 2HB ASN 8 9.882 -0.641 3.698 63 1HD2 ASN 8 2HD2 ASN 8 7.628 -3.451 3.451 64 2HD2 ASN 8 1HD2 ASN 8 8.018 -4.081 4.978 65 H ILE 9 H ILE 9 7.745 1.519 4.225 66 HA ILE 9 HA ILE 9 6.413 0.431 6.638 67 HB ILE 9 HB ILE 9 7.327 3.268 6.142 68 1HG1 ILE 9 1HG1 ILE 9 8.823 0.816 7.089 69 2HG1 ILE 9 2HG1 ILE 9 9.280 1.945 5.813 70 1HG2 ILE 9 1HG2 ILE 9 5.732 2.498 8.084 71 2HG2 ILE 9 2HG2 ILE 9 7.205 1.816 8.774 72 3HG2 ILE 9 3HG2 ILE 9 7.101 3.547 8.457 73 1HD1 ILE 9 1HD1 ILE 9 8.980 3.544 8.081 74 2HD1 ILE 9 2HD1 ILE 9 9.792 2.093 8.670 75 3HD1 ILE 9 3HD1 ILE 9 10.503 3.031 7.355 76 H ILE 10 H ILE 10 5.596 2.004 3.721 77 HA ILE 10 HA ILE 10 2.924 2.692 4.884 78 HB ILE 10 HB ILE 10 4.741 4.513 3.808 79 1HG1 ILE 10 1HG1 ILE 10 2.986 5.189 5.273 80 2HG1 ILE 10 2HG1 ILE 10 2.672 6.018 3.748 81 1HG2 ILE 10 1HG2 ILE 10 2.651 3.813 1.729 82 2HG2 ILE 10 2HG2 ILE 10 3.551 5.330 1.742 83 3HG2 ILE 10 3HG2 ILE 10 4.403 3.802 1.526 84 1HD1 ILE 10 1HD1 ILE 10 1.186 3.991 3.162 85 2HD1 ILE 10 2HD1 ILE 10 1.280 3.587 4.876 86 3HD1 ILE 10 3HD1 ILE 10 0.568 5.119 4.370 87 H PHE 11 H PHE 11 4.642 1.986 1.854 88 HA PHE 11 HA PHE 11 2.532 1.240 0.212 89 1HB PHE 11 1HB PHE 11 4.538 1.136 -0.898 90 2HB PHE 11 2HB PHE 11 5.399 0.513 0.502 91 HD1 PHE 11 HD1 PHE 11 2.827 -0.497 -2.019 92 HD2 PHE 11 HD2 PHE 11 6.011 -1.732 0.580 93 HE1 PHE 11 HE1 PHE 11 2.709 -2.789 -2.971 94 HE2 PHE 11 HE2 PHE 11 5.898 -4.026 -0.368 95 HZ PHE 11 HZ PHE 11 4.246 -4.553 -2.144 96 H GLY 12 H GLY 12 3.871 -0.454 2.978 97 1HA GLY 12 1HA GLY 12 2.450 -2.950 2.402 98 2HA GLY 12 2HA GLY 12 3.335 -2.580 3.884 99 H VAL 13 H VAL 13 1.966 -0.064 4.366 100 HA VAL 13 HA VAL 13 -0.417 -1.126 5.686 101 HB VAL 13 HB VAL 13 0.777 1.655 5.508 102 1HG1 VAL 13 1HG1 VAL 13 -1.891 0.870 6.202 103 2HG1 VAL 13 2HG1 VAL 13 -1.065 1.394 7.669 104 3HG1 VAL 13 3HG1 VAL 13 -1.169 2.477 6.282 105 1HG2 VAL 13 1HG2 VAL 13 1.884 -0.259 6.850 106 2HG2 VAL 13 2HG2 VAL 13 1.571 1.253 7.703 107 3HG2 VAL 13 3HG2 VAL 13 0.496 -0.127 7.930 108 H SER 14 H SER 14 0.337 0.639 2.775 109 HA SER 14 HA SER 14 -2.405 1.544 2.322 110 1HB SER 14 1HB SER 14 -0.032 2.395 1.352 111 2HB SER 14 2HB SER 14 -0.506 1.315 0.043 112 HG SER 14 HG SER 14 -1.264 3.588 -0.030 113 H TYR 15 H TYR 15 -0.431 -1.234 1.465 114 HA TYR 15 HA TYR 15 -2.202 -2.263 -0.576 115 1HB TYR 15 1HB TYR 15 0.297 -2.914 0.211 116 2HB TYR 15 2HB TYR 15 -0.605 -4.164 1.063 117 HD1 TYR 15 HD1 TYR 15 -0.054 -2.641 -2.299 118 HD2 TYR 15 HD2 TYR 15 -1.523 -6.022 -0.094 119 HE1 TYR 15 HE1 TYR 15 -0.295 -3.915 -4.414 120 HE2 TYR 15 HE2 TYR 15 -1.764 -7.295 -2.209 121 HH TYR 15 HH TYR 15 -2.114 -6.456 -4.830 122 H ASP 16 H ASP 16 -1.699 -3.165 2.855 123 HA ASP 16 HA ASP 16 -3.787 -5.044 3.078 124 1HB ASP 16 1HB ASP 16 -2.094 -3.620 4.868 125 2HB ASP 16 2HB ASP 16 -3.747 -3.405 5.444 126 H GLU 17 H GLU 17 -3.891 -1.578 2.805 127 HA GLU 17 HA GLU 17 -6.811 -1.556 3.381 128 1HB GLU 17 1HB GLU 17 -4.745 0.257 3.955 129 2HB GLU 17 2HB GLU 17 -5.650 1.009 2.641 130 1HG GLU 17 1HG GLU 17 -7.345 -0.213 4.717 131 2HG GLU 17 2HG GLU 17 -6.361 1.133 5.292 132 H TYR 18 H TYR 18 -4.539 -1.573 0.802 133 HA TYR 18 HA TYR 18 -6.385 -0.336 -1.136 134 1HB TYR 18 1HB TYR 18 -3.932 0.001 -1.331 135 2HB TYR 18 2HB TYR 18 -3.727 -1.734 -1.572 136 HD1 TYR 18 HD1 TYR 18 -6.482 0.410 -2.873 137 HD2 TYR 18 HD2 TYR 18 -2.935 -1.825 -3.812 138 HE1 TYR 18 HE1 TYR 18 -6.942 0.695 -5.294 139 HE2 TYR 18 HE2 TYR 18 -3.396 -1.540 -6.231 140 HH TYR 18 HH TYR 18 -6.177 -0.836 -7.500 141 H ARG 19 H ARG 19 -4.805 -3.538 -0.787 142 HA ARG 19 HA ARG 19 -6.146 -4.926 -2.791 143 1HB ARG 19 1HB ARG 19 -4.661 -5.615 -0.458 144 2HB ARG 19 2HB ARG 19 -6.124 -6.601 -0.461 145 1HG ARG 19 1HG ARG 19 -5.097 -6.484 -3.136 146 2HG ARG 19 2HG ARG 19 -3.786 -6.947 -2.049 147 1HD ARG 19 1HD ARG 19 -4.666 -9.037 -2.247 148 2HD ARG 19 2HD ARG 19 -5.845 -8.459 -1.069 149 HE ARG 19 HE ARG 19 -6.921 -7.687 -3.500 150 1HH1 ARG 19 1HH1 ARG 19 -5.175 -10.318 -4.003 151 2HH1 ARG 19 2HH1 ARG 19 -6.467 -11.468 -4.095 152 1HH2 ARG 19 1HH2 ARG 19 -8.845 -9.297 -2.814 153 2HH2 ARG 19 2HH2 ARG 19 -8.542 -10.891 -3.420 154 H TYR 20 H TYR 20 -7.425 -3.691 0.205 155 HA TYR 20 HA TYR 20 -9.914 -5.247 -0.010 156 1HB TYR 20 1HB TYR 20 -9.300 -4.821 2.233 157 2HB TYR 20 2HB TYR 20 -8.877 -3.145 1.893 158 HD1 TYR 20 HD1 TYR 20 -10.641 -1.443 1.551 159 HD2 TYR 20 HD2 TYR 20 -11.594 -5.493 2.619 160 HE1 TYR 20 HE1 TYR 20 -12.935 -0.738 2.176 161 HE2 TYR 20 HE2 TYR 20 -13.889 -4.788 3.244 162 HH TYR 20 HH TYR 20 -15.397 -2.413 2.322 163 H ARG 21 H ARG 21 -8.741 -1.992 -0.718 164 HA ARG 21 HA ARG 21 -11.414 -1.005 -1.396 165 1HB ARG 21 1HB ARG 21 -9.166 0.276 -0.636 166 2HB ARG 21 2HB ARG 21 -8.993 0.411 -2.387 167 1HG ARG 21 1HG ARG 21 -11.052 1.557 -2.619 168 2HG ARG 21 2HG ARG 21 -11.585 1.086 -1.005 169 1HD ARG 21 1HD ARG 21 -10.785 3.058 -0.262 170 2HD ARG 21 2HD ARG 21 -9.166 2.441 -0.589 171 HE ARG 21 HE ARG 21 -10.750 3.961 -2.623 172 1HH1 ARG 21 1HH1 ARG 21 -7.846 2.396 -2.136 173 2HH1 ARG 21 2HH1 ARG 21 -6.837 3.731 -2.581 174 1HH2 ARG 21 1HH2 ARG 21 -9.452 6.004 -2.719 175 2HH2 ARG 21 2HH2 ARG 21 -7.746 5.773 -2.909 176 H SER 22 H SER 22 -8.811 -2.619 -3.016 177 HA SER 22 HA SER 22 -9.476 -1.813 -5.707 178 1HB SER 22 1HB SER 22 -7.323 -2.980 -4.819 179 2HB SER 22 2HB SER 22 -8.241 -4.471 -5.012 180 HG SER 22 HG SER 22 -8.498 -3.990 -7.183 181 H VAL 23 H VAL 23 -10.762 -4.167 -3.483 182 HA VAL 23 HA VAL 23 -12.239 -5.590 -5.600 183 HB VAL 23 HB VAL 23 -12.624 -5.903 -2.621 184 1HG1 VAL 23 1HG1 VAL 23 -12.967 -7.691 -5.044 185 2HG1 VAL 23 2HG1 VAL 23 -13.066 -8.276 -3.383 186 3HG1 VAL 23 3HG1 VAL 23 -14.232 -7.091 -3.971 187 1HG2 VAL 23 1HG2 VAL 23 -10.215 -6.335 -4.151 188 2HG2 VAL 23 2HG2 VAL 23 -10.490 -6.605 -2.430 189 3HG2 VAL 23 3HG2 VAL 23 -10.847 -7.884 -3.592 190 H ILE 24 H ILE 24 -12.686 -2.918 -3.473 191 HA ILE 24 HA ILE 24 -15.485 -2.660 -4.437 192 HB ILE 24 HB ILE 24 -14.645 -2.432 -1.530 193 1HG1 ILE 24 1HG1 ILE 24 -16.703 -4.202 -1.608 194 2HG1 ILE 24 2HG1 ILE 24 -15.956 -4.532 -3.172 195 1HG2 ILE 24 1HG2 ILE 24 -16.846 -1.288 -3.039 196 2HG2 ILE 24 2HG2 ILE 24 -17.439 -2.374 -1.783 197 3HG2 ILE 24 3HG2 ILE 24 -16.393 -1.019 -1.357 198 1HD1 ILE 24 1HD1 ILE 24 -13.724 -4.497 -1.735 199 2HD1 ILE 24 2HD1 ILE 24 -14.832 -4.890 -0.420 200 3HD1 ILE 24 3HD1 ILE 24 -14.716 -5.952 -1.824 201 H LYS 25 H LYS 25 -13.098 -1.279 -5.250 202 HA LYS 25 HA LYS 25 -12.605 1.174 -3.958 203 1HB LYS 25 1HB LYS 25 -11.426 0.189 -6.015 204 2HB LYS 25 2HB LYS 25 -12.736 0.889 -6.966 205 1HG LYS 25 1HG LYS 25 -12.208 3.117 -6.162 206 2HG LYS 25 2HG LYS 25 -11.009 2.471 -5.042 207 1HD LYS 25 1HD LYS 25 -9.729 1.578 -6.996 208 2HD LYS 25 2HD LYS 25 -10.884 2.369 -8.070 209 1HE LYS 25 1HE LYS 25 -9.388 3.913 -5.934 210 2HE LYS 25 2HE LYS 25 -8.739 3.695 -7.572 211 1HZ LYS 25 1HZ LYS 25 -11.541 4.433 -7.416 212 2HZ LYS 25 2HZ LYS 25 -10.451 5.639 -6.922 213 3HZ LYS 25 3HZ LYS 25 -10.337 4.974 -8.481 214 H ALA 26 H ALA 26 -14.608 0.974 -6.916 215 HA ALA 26 HA ALA 26 -15.912 3.437 -6.585 216 1HB ALA 26 1HB ALA 26 -16.915 0.865 -7.833 217 2HB ALA 26 2HB ALA 26 -17.766 2.404 -7.961 218 3HB ALA 26 3HB ALA 26 -16.155 2.226 -8.657 Start of MODEL 8 1 1H MET 1 1H MET 1 16.894 4.438 -6.981 2 2H MET 1 2H MET 1 15.817 3.359 -7.726 3 3H MET 1 3H MET 1 16.182 4.842 -8.471 4 HA MET 1 HA MET 1 14.940 6.076 -6.941 5 1HB MET 1 1HB MET 1 13.890 3.582 -8.097 6 2HB MET 1 2HB MET 1 12.893 4.227 -6.792 7 1HG MET 1 1HG MET 1 12.451 6.214 -7.929 8 2HG MET 1 2HG MET 1 13.902 6.085 -8.923 9 1HE MET 1 1HE MET 1 14.238 5.344 -10.730 10 2HE MET 1 2HE MET 1 13.761 3.715 -11.205 11 3HE MET 1 3HE MET 1 13.014 5.121 -11.978 12 HA PRO 2 HA PRO 2 15.928 4.209 -2.910 13 1HB PRO 2 1HB PRO 2 16.213 6.603 -1.614 14 2HB PRO 2 2HB PRO 2 17.515 5.856 -2.561 15 1HG PRO 2 1HG PRO 2 15.686 8.084 -3.285 16 2HG PRO 2 2HG PRO 2 17.396 7.850 -3.679 17 1HD PRO 2 1HD PRO 2 15.334 7.377 -5.428 18 2HD PRO 2 2HD PRO 2 16.929 6.599 -5.528 19 H GLY 3 H GLY 3 13.396 3.874 -3.509 20 1HA GLY 3 1HA GLY 3 11.887 5.291 -1.355 21 2HA GLY 3 2HA GLY 3 11.169 5.083 -2.955 22 H THR 4 H THR 4 13.200 2.700 -1.335 23 HA THR 4 HA THR 4 10.926 0.796 -1.479 24 HB THR 4 HB THR 4 13.673 0.606 -2.095 25 HG1 THR 4 HG1 THR 4 11.701 -1.403 -1.764 26 1HG2 THR 4 1HG2 THR 4 12.968 -1.117 0.302 27 2HG2 THR 4 2HG2 THR 4 14.399 -1.324 -0.707 28 3HG2 THR 4 3HG2 THR 4 14.201 0.143 0.252 29 H ILE 5 H ILE 5 13.235 2.196 0.806 30 HA ILE 5 HA ILE 5 12.597 0.639 3.084 31 HB ILE 5 HB ILE 5 13.168 3.608 3.167 32 1HG1 ILE 5 1HG1 ILE 5 15.582 2.169 3.391 33 2HG1 ILE 5 2HG1 ILE 5 14.752 1.478 1.996 34 1HG2 ILE 5 1HG2 ILE 5 12.629 2.346 5.280 35 2HG2 ILE 5 2HG2 ILE 5 14.041 1.336 4.974 36 3HG2 ILE 5 3HG2 ILE 5 14.240 3.064 5.268 37 1HD1 ILE 5 1HD1 ILE 5 14.834 4.460 2.290 38 2HD1 ILE 5 2HD1 ILE 5 16.274 3.623 1.711 39 3HD1 ILE 5 3HD1 ILE 5 14.756 3.484 0.823 40 H LYS 6 H LYS 6 11.147 3.709 1.979 41 HA LYS 6 HA LYS 6 9.206 3.950 4.026 42 1HB LYS 6 1HB LYS 6 9.586 5.784 2.488 43 2HB LYS 6 2HB LYS 6 9.094 4.792 1.115 44 1HG LYS 6 1HG LYS 6 6.831 4.790 1.768 45 2HG LYS 6 2HG LYS 6 7.215 5.257 3.426 46 1HD LYS 6 1HD LYS 6 8.085 7.456 2.472 47 2HD LYS 6 2HD LYS 6 7.344 6.982 0.943 48 1HE LYS 6 1HE LYS 6 5.427 6.578 3.053 49 2HE LYS 6 2HE LYS 6 6.063 8.232 3.150 50 1HZ LYS 6 1HZ LYS 6 5.722 8.455 0.758 51 2HZ LYS 6 2HZ LYS 6 5.061 6.894 0.692 52 3HZ LYS 6 3HZ LYS 6 4.257 8.118 1.551 53 H GLU 7 H GLU 7 9.163 2.082 1.014 54 HA GLU 7 HA GLU 7 6.417 1.307 1.107 55 1HB GLU 7 1HB GLU 7 8.718 -0.379 0.079 56 2HB GLU 7 2HB GLU 7 7.029 -0.459 -0.421 57 1HG GLU 7 1HG GLU 7 8.280 2.209 -0.664 58 2HG GLU 7 2HG GLU 7 8.931 0.976 -1.744 59 H ASN 8 H ASN 8 9.332 -0.384 2.336 60 HA ASN 8 HA ASN 8 8.050 -2.596 3.483 61 1HB ASN 8 1HB ASN 8 10.478 -2.391 3.464 62 2HB ASN 8 2HB ASN 8 10.375 -1.034 4.576 63 1HD2 ASN 8 2HD2 ASN 8 9.584 -4.526 4.345 64 2HD2 ASN 8 1HD2 ASN 8 9.708 -4.821 6.012 65 H ILE 9 H ILE 9 7.876 0.730 4.379 66 HA ILE 9 HA ILE 9 6.597 0.017 6.978 67 HB ILE 9 HB ILE 9 7.570 2.700 5.992 68 1HG1 ILE 9 1HG1 ILE 9 8.834 0.636 7.818 69 2HG1 ILE 9 2HG1 ILE 9 9.430 1.140 6.235 70 1HG2 ILE 9 1HG2 ILE 9 6.311 1.673 8.511 71 2HG2 ILE 9 2HG2 ILE 9 7.516 2.953 8.635 72 3HG2 ILE 9 3HG2 ILE 9 6.055 3.207 7.682 73 1HD1 ILE 9 1HD1 ILE 9 8.990 3.162 8.411 74 2HD1 ILE 9 2HD1 ILE 9 10.480 2.218 8.351 75 3HD1 ILE 9 3HD1 ILE 9 10.043 3.264 6.999 76 H ILE 10 H ILE 10 5.823 0.888 3.807 77 HA ILE 10 HA ILE 10 3.153 1.890 4.730 78 HB ILE 10 HB ILE 10 5.022 3.380 3.330 79 1HG1 ILE 10 1HG1 ILE 10 3.180 4.364 4.493 80 2HG1 ILE 10 2HG1 ILE 10 3.011 4.840 2.803 81 1HG2 ILE 10 1HG2 ILE 10 4.694 1.991 1.304 82 2HG2 ILE 10 2HG2 ILE 10 2.973 2.371 1.336 83 3HG2 ILE 10 3HG2 ILE 10 4.153 3.650 1.052 84 1HD1 ILE 10 1HD1 ILE 10 1.611 2.539 2.738 85 2HD1 ILE 10 2HD1 ILE 10 1.343 2.983 4.423 86 3HD1 ILE 10 3HD1 ILE 10 0.866 4.088 3.134 87 H PHE 11 H PHE 11 5.004 0.247 2.252 88 HA PHE 11 HA PHE 11 3.062 -0.677 0.520 89 1HB PHE 11 1HB PHE 11 5.713 -1.088 0.911 90 2HB PHE 11 2HB PHE 11 5.074 -2.645 1.411 91 HD1 PHE 11 HD1 PHE 11 3.849 -0.232 -1.146 92 HD2 PHE 11 HD2 PHE 11 5.494 -4.115 -0.362 93 HE1 PHE 11 HE1 PHE 11 3.534 -0.843 -3.537 94 HE2 PHE 11 HE2 PHE 11 5.184 -4.735 -2.751 95 HZ PHE 11 HZ PHE 11 4.203 -3.096 -4.336 96 H GLY 12 H GLY 12 3.761 -1.748 3.803 97 1HA GLY 12 1HA GLY 12 1.936 -4.046 3.598 98 2HA GLY 12 2HA GLY 12 2.794 -3.531 5.052 99 H VAL 13 H VAL 13 1.996 -0.862 5.195 100 HA VAL 13 HA VAL 13 -0.665 -1.133 6.315 101 HB VAL 13 HB VAL 13 1.012 1.338 5.768 102 1HG1 VAL 13 1HG1 VAL 13 -1.511 1.645 6.065 103 2HG1 VAL 13 2HG1 VAL 13 -1.289 1.042 7.708 104 3HG1 VAL 13 3HG1 VAL 13 -0.485 2.527 7.196 105 1HG2 VAL 13 1HG2 VAL 13 1.386 -0.766 7.598 106 2HG2 VAL 13 2HG2 VAL 13 2.166 0.815 7.636 107 3HG2 VAL 13 3HG2 VAL 13 0.676 0.545 8.540 108 H SER 14 H SER 14 0.618 -0.287 3.225 109 HA SER 14 HA SER 14 -1.782 1.143 2.328 110 1HB SER 14 1HB SER 14 0.866 0.981 1.447 111 2HB SER 14 2HB SER 14 -0.048 0.114 0.217 112 HG SER 14 HG SER 14 -0.095 2.790 0.950 113 H TYR 15 H TYR 15 -0.246 -2.019 1.640 114 HA TYR 15 HA TYR 15 -2.187 -3.054 -0.122 115 1HB TYR 15 1HB TYR 15 0.051 -4.060 0.918 116 2HB TYR 15 2HB TYR 15 -1.090 -4.848 2.000 117 HD1 TYR 15 HD1 TYR 15 -0.526 -4.192 -1.653 118 HD2 TYR 15 HD2 TYR 15 -2.127 -6.829 1.338 119 HE1 TYR 15 HE1 TYR 15 -1.062 -5.860 -3.408 120 HE2 TYR 15 HE2 TYR 15 -2.662 -8.496 -0.417 121 HH TYR 15 HH TYR 15 -1.727 -9.026 -2.792 122 H ASP 16 H ASP 16 -2.052 -3.290 3.427 123 HA ASP 16 HA ASP 16 -4.486 -4.662 3.836 124 1HB ASP 16 1HB ASP 16 -2.927 -4.201 5.674 125 2HB ASP 16 2HB ASP 16 -3.239 -2.471 5.529 126 H GLU 17 H GLU 17 -3.912 -1.461 2.692 127 HA GLU 17 HA GLU 17 -6.823 -0.839 2.968 128 1HB GLU 17 1HB GLU 17 -4.635 0.645 3.857 129 2HB GLU 17 2HB GLU 17 -5.096 1.435 2.350 130 1HG GLU 17 1HG GLU 17 -6.793 2.431 3.441 131 2HG GLU 17 2HG GLU 17 -7.509 0.840 3.703 132 H TYR 18 H TYR 18 -4.547 -1.858 0.783 133 HA TYR 18 HA TYR 18 -5.705 -0.259 -1.456 134 1HB TYR 18 1HB TYR 18 -3.127 -0.615 -1.006 135 2HB TYR 18 2HB TYR 18 -3.412 -2.161 -1.805 136 HD1 TYR 18 HD1 TYR 18 -4.261 1.473 -2.238 137 HD2 TYR 18 HD2 TYR 18 -3.221 -2.243 -4.123 138 HE1 TYR 18 HE1 TYR 18 -4.223 2.603 -4.444 139 HE2 TYR 18 HE2 TYR 18 -3.182 -1.114 -6.330 140 HH TYR 18 HH TYR 18 -2.886 1.169 -7.221 141 H ARG 19 H ARG 19 -4.666 -3.648 -0.881 142 HA ARG 19 HA ARG 19 -6.003 -4.834 -3.030 143 1HB ARG 19 1HB ARG 19 -4.624 -5.772 -0.832 144 2HB ARG 19 2HB ARG 19 -6.256 -6.384 -0.546 145 1HG ARG 19 1HG ARG 19 -5.723 -6.757 -3.306 146 2HG ARG 19 2HG ARG 19 -4.295 -7.319 -2.435 147 1HD ARG 19 1HD ARG 19 -6.010 -8.519 -0.879 148 2HD ARG 19 2HD ARG 19 -7.138 -8.283 -2.213 149 HE ARG 19 HE ARG 19 -4.691 -9.436 -3.189 150 1HH1 ARG 19 1HH1 ARG 19 -7.747 -10.017 -1.721 151 2HH1 ARG 19 2HH1 ARG 19 -7.695 -11.729 -1.973 152 1HH2 ARG 19 1HH2 ARG 19 -4.525 -11.698 -3.376 153 2HH2 ARG 19 2HH2 ARG 19 -5.873 -12.681 -2.910 154 H TYR 20 H TYR 20 -7.337 -3.638 -0.007 155 HA TYR 20 HA TYR 20 -9.939 -4.884 -0.373 156 1HB TYR 20 1HB TYR 20 -9.292 -4.268 1.868 157 2HB TYR 20 2HB TYR 20 -8.992 -2.599 1.379 158 HD1 TYR 20 HD1 TYR 20 -11.733 -5.164 1.287 159 HD2 TYR 20 HD2 TYR 20 -10.674 -1.025 1.731 160 HE1 TYR 20 HE1 TYR 20 -14.108 -4.604 1.731 161 HE2 TYR 20 HE2 TYR 20 -13.048 -0.465 2.173 162 HH TYR 20 HH TYR 20 -15.187 -1.263 2.002 163 H ARG 21 H ARG 21 -8.685 -1.567 -0.828 164 HA ARG 21 HA ARG 21 -11.163 -0.576 -1.941 165 1HB ARG 21 1HB ARG 21 -8.341 0.437 -1.766 166 2HB ARG 21 2HB ARG 21 -9.486 1.249 -2.834 167 1HG ARG 21 1HG ARG 21 -11.041 1.068 -0.661 168 2HG ARG 21 2HG ARG 21 -9.471 1.070 0.143 169 1HD ARG 21 1HD ARG 21 -10.711 3.198 -1.580 170 2HD ARG 21 2HD ARG 21 -9.948 3.357 0.002 171 HE ARG 21 HE ARG 21 -8.514 3.116 -2.589 172 1HH1 ARG 21 1HH1 ARG 21 -7.490 1.851 0.147 173 2HH1 ARG 21 2HH1 ARG 21 -6.304 3.042 0.561 174 1HH2 ARG 21 1HH2 ARG 21 -7.432 5.357 -1.763 175 2HH2 ARG 21 2HH2 ARG 21 -6.270 5.027 -0.522 176 H SER 22 H SER 22 -8.223 -1.983 -3.310 177 HA SER 22 HA SER 22 -8.684 -1.339 -6.038 178 1HB SER 22 1HB SER 22 -6.577 -2.272 -5.614 179 2HB SER 22 2HB SER 22 -7.243 -3.572 -4.630 180 HG SER 22 HG SER 22 -6.617 -3.671 -7.158 181 H VAL 23 H VAL 23 -10.433 -3.390 -3.929 182 HA VAL 23 HA VAL 23 -11.609 -4.920 -6.192 183 HB VAL 23 HB VAL 23 -12.073 -5.195 -3.206 184 1HG1 VAL 23 1HG1 VAL 23 -13.262 -6.412 -5.607 185 2HG1 VAL 23 2HG1 VAL 23 -12.687 -7.588 -4.424 186 3HG1 VAL 23 3HG1 VAL 23 -13.869 -6.368 -3.952 187 1HG2 VAL 23 1HG2 VAL 23 -9.727 -5.712 -4.269 188 2HG2 VAL 23 2HG2 VAL 23 -10.458 -6.891 -3.181 189 3HG2 VAL 23 3HG2 VAL 23 -10.543 -7.131 -4.926 190 H ILE 24 H ILE 24 -12.523 -2.681 -3.580 191 HA ILE 24 HA ILE 24 -15.083 -2.211 -5.058 192 HB ILE 24 HB ILE 24 -14.706 -1.895 -2.072 193 1HG1 ILE 24 1HG1 ILE 24 -16.246 -4.075 -2.240 194 2HG1 ILE 24 2HG1 ILE 24 -15.342 -4.293 -3.740 195 1HG2 ILE 24 1HG2 ILE 24 -16.822 -1.362 -4.002 196 2HG2 ILE 24 2HG2 ILE 24 -17.363 -2.464 -2.735 197 3HG2 ILE 24 3HG2 ILE 24 -16.709 -0.882 -2.309 198 1HD1 ILE 24 1HD1 ILE 24 -13.317 -3.642 -2.055 199 2HD1 ILE 24 2HD1 ILE 24 -14.409 -4.453 -0.931 200 3HD1 ILE 24 3HD1 ILE 24 -13.825 -5.303 -2.362 201 H LYS 25 H LYS 25 -12.589 -0.783 -5.463 202 HA LYS 25 HA LYS 25 -12.428 1.648 -4.003 203 1HB LYS 25 1HB LYS 25 -10.677 0.930 -5.581 204 2HB LYS 25 2HB LYS 25 -11.792 1.160 -6.929 205 1HG LYS 25 1HG LYS 25 -11.973 3.578 -5.641 206 2HG LYS 25 2HG LYS 25 -10.278 3.162 -5.387 207 1HD LYS 25 1HD LYS 25 -9.784 3.199 -7.650 208 2HD LYS 25 2HD LYS 25 -11.433 2.785 -8.122 209 1HE LYS 25 1HE LYS 25 -12.211 4.999 -7.800 210 2HE LYS 25 2HE LYS 25 -10.804 5.439 -6.813 211 1HZ LYS 25 1HZ LYS 25 -10.232 4.405 -9.467 212 2HZ LYS 25 2HZ LYS 25 -10.955 5.942 -9.422 213 3HZ LYS 25 3HZ LYS 25 -9.487 5.667 -8.612 214 H ALA 26 H ALA 26 -14.114 3.037 -3.733 215 HA ALA 26 HA ALA 26 -15.943 4.411 -4.256 216 1HB ALA 26 1HB ALA 26 -14.164 5.049 -6.072 217 2HB ALA 26 2HB ALA 26 -15.221 4.157 -7.165 218 3HB ALA 26 3HB ALA 26 -15.837 5.562 -6.295 Start of MODEL 9 1 1H MET 1 1H MET 1 17.120 -3.396 4.491 2 2H MET 1 2H MET 1 15.645 -4.148 4.121 3 3H MET 1 3H MET 1 17.105 -4.838 3.594 4 HA MET 1 HA MET 1 17.437 -3.246 1.951 5 1HB MET 1 1HB MET 1 15.149 -4.771 2.141 6 2HB MET 1 2HB MET 1 14.496 -3.170 1.792 7 1HG MET 1 1HG MET 1 16.145 -3.002 -0.111 8 2HG MET 1 2HG MET 1 16.555 -4.694 0.176 9 1HE MET 1 1HE MET 1 16.037 -5.873 -1.654 10 2HE MET 1 2HE MET 1 15.022 -6.752 -0.512 11 3HE MET 1 3HE MET 1 14.422 -6.390 -2.136 12 HA PRO 2 HA PRO 2 16.452 0.669 4.089 13 1HB PRO 2 1HB PRO 2 18.732 1.945 3.273 14 2HB PRO 2 2HB PRO 2 18.672 0.892 4.701 15 1HG PRO 2 1HG PRO 2 19.700 0.321 1.970 16 2HG PRO 2 2HG PRO 2 20.321 -0.202 3.543 17 1HD PRO 2 1HD PRO 2 18.849 -1.797 1.876 18 2HD PRO 2 2HD PRO 2 18.925 -2.005 3.639 19 H GLY 3 H GLY 3 16.395 2.962 3.052 20 1HA GLY 3 1HA GLY 3 15.509 4.308 1.340 21 2HA GLY 3 2HA GLY 3 16.630 3.442 0.289 22 H THR 4 H THR 4 14.050 1.856 2.077 23 HA THR 4 HA THR 4 12.491 1.576 -0.438 24 HB THR 4 HB THR 4 14.155 -0.429 0.618 25 HG1 THR 4 HG1 THR 4 13.114 0.001 -1.532 26 1HG2 THR 4 1HG2 THR 4 11.240 -1.003 1.202 27 2HG2 THR 4 2HG2 THR 4 12.488 -2.246 1.110 28 3HG2 THR 4 3HG2 THR 4 12.575 -0.999 2.354 29 H ILE 5 H ILE 5 12.625 1.277 3.078 30 HA ILE 5 HA ILE 5 9.925 0.654 3.611 31 HB ILE 5 HB ILE 5 11.640 2.554 5.233 32 1HG1 ILE 5 1HG1 ILE 5 11.602 -0.285 5.996 33 2HG1 ILE 5 2HG1 ILE 5 12.383 0.014 4.443 34 1HG2 ILE 5 1HG2 ILE 5 9.151 0.974 5.687 35 2HG2 ILE 5 2HG2 ILE 5 10.297 1.075 7.024 36 3HG2 ILE 5 3HG2 ILE 5 9.617 2.547 6.332 37 1HD1 ILE 5 1HD1 ILE 5 13.780 1.773 5.513 38 2HD1 ILE 5 2HD1 ILE 5 13.043 1.384 7.067 39 3HD1 ILE 5 3HD1 ILE 5 14.037 0.186 6.238 40 H LYS 6 H LYS 6 11.440 3.884 3.401 41 HA LYS 6 HA LYS 6 9.246 5.515 3.832 42 1HB LYS 6 1HB LYS 6 10.318 7.192 2.510 43 2HB LYS 6 2HB LYS 6 11.615 6.224 3.208 44 1HG LYS 6 1HG LYS 6 11.753 4.914 1.113 45 2HG LYS 6 2HG LYS 6 10.481 5.918 0.414 46 1HD LYS 6 1HD LYS 6 11.853 7.880 0.503 47 2HD LYS 6 2HD LYS 6 13.058 7.069 1.504 48 1HE LYS 6 1HE LYS 6 12.452 5.786 -1.117 49 2HE LYS 6 2HE LYS 6 13.364 7.309 -1.163 50 1HZ LYS 6 1HZ LYS 6 14.738 6.337 0.692 51 2HZ LYS 6 2HZ LYS 6 14.014 4.841 0.345 52 3HZ LYS 6 3HZ LYS 6 14.959 5.623 -0.830 53 H GLU 7 H GLU 7 9.852 3.465 1.077 54 HA GLU 7 HA GLU 7 7.625 4.622 -0.469 55 1HB GLU 7 1HB GLU 7 9.145 2.059 -1.022 56 2HB GLU 7 2HB GLU 7 8.201 3.014 -2.163 57 1HG GLU 7 1HG GLU 7 10.360 4.474 -0.759 58 2HG GLU 7 2HG GLU 7 10.892 3.240 -1.899 59 H ASN 8 H ASN 8 8.332 1.490 1.116 60 HA ASN 8 HA ASN 8 5.803 0.300 0.628 61 1HB ASN 8 1HB ASN 8 8.001 -0.693 1.636 62 2HB ASN 8 2HB ASN 8 7.287 -0.197 3.163 63 1HD2 ASN 8 2HD2 ASN 8 5.178 -1.178 3.766 64 2HD2 ASN 8 1HD2 ASN 8 4.693 -2.647 3.068 65 H ILE 9 H ILE 9 6.636 2.926 2.632 66 HA ILE 9 HA ILE 9 4.324 2.541 4.442 67 HB ILE 9 HB ILE 9 6.290 4.839 4.264 68 1HG1 ILE 9 1HG1 ILE 9 7.237 2.514 4.735 69 2HG1 ILE 9 2HG1 ILE 9 7.562 3.743 5.949 70 1HG2 ILE 9 1HG2 ILE 9 3.852 4.547 5.669 71 2HG2 ILE 9 2HG2 ILE 9 5.130 4.336 6.865 72 3HG2 ILE 9 3HG2 ILE 9 5.068 5.803 5.889 73 1HD1 ILE 9 1HD1 ILE 9 5.140 1.970 6.177 74 2HD1 ILE 9 2HD1 ILE 9 6.715 1.410 6.741 75 3HD1 ILE 9 3HD1 ILE 9 5.985 2.850 7.452 76 H ILE 10 H ILE 10 5.078 4.017 1.466 77 HA ILE 10 HA ILE 10 2.606 5.697 1.673 78 HB ILE 10 HB ILE 10 5.221 6.476 0.953 79 1HG1 ILE 10 1HG1 ILE 10 3.661 8.003 1.915 80 2HG1 ILE 10 2HG1 ILE 10 3.980 8.616 0.291 81 1HG2 ILE 10 1HG2 ILE 10 3.433 6.224 -1.478 82 2HG2 ILE 10 2HG2 ILE 10 4.789 7.349 -1.396 83 3HG2 ILE 10 3HG2 ILE 10 5.076 5.614 -1.278 84 1HD1 ILE 10 1HD1 ILE 10 1.885 6.839 -0.106 85 2HD1 ILE 10 2HD1 ILE 10 1.484 7.597 1.436 86 3HD1 ILE 10 3HD1 ILE 10 1.735 8.594 0.002 87 H PHE 11 H PHE 11 4.612 3.919 -0.683 88 HA PHE 11 HA PHE 11 2.759 3.568 -2.723 89 1HB PHE 11 1HB PHE 11 4.761 2.604 -3.289 90 2HB PHE 11 2HB PHE 11 5.095 2.094 -1.642 91 HD1 PHE 11 HD1 PHE 11 3.297 1.238 -4.751 92 HD2 PHE 11 HD2 PHE 11 4.437 -0.063 -0.822 93 HE1 PHE 11 HE1 PHE 11 2.585 -1.076 -5.316 94 HE2 PHE 11 HE2 PHE 11 3.728 -2.378 -1.381 95 HZ PHE 11 HZ PHE 11 2.801 -2.882 -3.627 96 H GLY 12 H GLY 12 2.842 2.151 0.472 97 1HA GLY 12 1HA GLY 12 0.844 0.101 -0.083 98 2HA GLY 12 2HA GLY 12 1.397 0.600 1.520 99 H VAL 13 H VAL 13 0.861 3.314 1.447 100 HA VAL 13 HA VAL 13 -1.870 3.484 2.143 101 HB VAL 13 HB VAL 13 0.051 5.607 1.143 102 1HG1 VAL 13 1HG1 VAL 13 -2.717 5.863 2.346 103 2HG1 VAL 13 2HG1 VAL 13 -1.572 7.200 2.232 104 3HG1 VAL 13 3HG1 VAL 13 -2.184 6.436 0.765 105 1HG2 VAL 13 1HG2 VAL 13 0.348 4.250 3.374 106 2HG2 VAL 13 2HG2 VAL 13 0.546 6.002 3.390 107 3HG2 VAL 13 3HG2 VAL 13 -0.962 5.280 3.953 108 H SER 14 H SER 14 -0.332 3.406 -0.936 109 HA SER 14 HA SER 14 -2.800 4.364 -2.296 110 1HB SER 14 1HB SER 14 -0.231 5.038 -2.802 111 2HB SER 14 2HB SER 14 -0.366 3.631 -3.852 112 HG SER 14 HG SER 14 -1.079 5.326 -5.046 113 H TYR 15 H TYR 15 -0.425 1.684 -2.474 114 HA TYR 15 HA TYR 15 -2.107 0.085 -4.210 115 1HB TYR 15 1HB TYR 15 0.518 0.000 -3.469 116 2HB TYR 15 2HB TYR 15 -0.143 -1.330 -2.523 117 HD1 TYR 15 HD1 TYR 15 -1.072 0.010 -5.896 118 HD2 TYR 15 HD2 TYR 15 0.399 -3.327 -3.627 119 HE1 TYR 15 HE1 TYR 15 -1.136 -1.403 -7.932 120 HE2 TYR 15 HE2 TYR 15 0.335 -4.741 -5.664 121 HH TYR 15 HH TYR 15 -0.703 -3.392 -8.802 122 H ASP 16 H ASP 16 -1.146 -0.423 -0.781 123 HA ASP 16 HA ASP 16 -2.968 -2.479 -0.209 124 1HB ASP 16 1HB ASP 16 -1.988 -0.220 1.560 125 2HB ASP 16 2HB ASP 16 -2.936 -1.579 2.162 126 H GLU 17 H GLU 17 -3.557 0.867 -0.851 127 HA GLU 17 HA GLU 17 -6.330 0.696 0.190 128 1HB GLU 17 1HB GLU 17 -4.501 2.777 0.107 129 2HB GLU 17 2HB GLU 17 -5.556 3.131 -1.260 130 1HG GLU 17 1HG GLU 17 -6.651 4.186 0.534 131 2HG GLU 17 2HG GLU 17 -7.502 2.647 0.396 132 H TYR 18 H TYR 18 -4.536 0.360 -2.739 133 HA TYR 18 HA TYR 18 -6.957 0.863 -4.393 134 1HB TYR 18 1HB TYR 18 -4.055 0.913 -4.841 135 2HB TYR 18 2HB TYR 18 -4.953 0.115 -6.132 136 HD1 TYR 18 HD1 TYR 18 -6.181 2.854 -3.930 137 HD2 TYR 18 HD2 TYR 18 -4.837 1.756 -7.860 138 HE1 TYR 18 HE1 TYR 18 -6.905 5.063 -4.796 139 HE2 TYR 18 HE2 TYR 18 -5.560 3.965 -8.725 140 HH TYR 18 HH TYR 18 -6.504 5.906 -8.241 141 H ARG 19 H ARG 19 -4.629 -1.751 -3.672 142 HA ARG 19 HA ARG 19 -6.253 -3.627 -5.284 143 1HB ARG 19 1HB ARG 19 -3.513 -3.504 -4.374 144 2HB ARG 19 2HB ARG 19 -4.239 -5.044 -3.914 145 1HG ARG 19 1HG ARG 19 -4.991 -4.263 -6.619 146 2HG ARG 19 2HG ARG 19 -3.241 -4.388 -6.437 147 1HD ARG 19 1HD ARG 19 -4.148 -6.610 -5.067 148 2HD ARG 19 2HD ARG 19 -5.273 -6.504 -6.422 149 HE ARG 19 HE ARG 19 -2.603 -6.165 -7.394 150 1HH1 ARG 19 1HH1 ARG 19 -2.846 -8.547 -5.307 151 2HH1 ARG 19 2HH1 ARG 19 -2.945 -9.869 -6.422 152 1HH2 ARG 19 1HH2 ARG 19 -3.545 -7.848 -9.175 153 2HH2 ARG 19 2HH2 ARG 19 -3.337 -9.473 -8.613 154 H TYR 20 H TYR 20 -6.343 -2.473 -2.142 155 HA TYR 20 HA TYR 20 -7.183 -5.069 -0.972 156 1HB TYR 20 1HB TYR 20 -5.687 -3.452 0.281 157 2HB TYR 20 2HB TYR 20 -7.069 -2.361 0.376 158 HD1 TYR 20 HD1 TYR 20 -6.633 -6.073 0.768 159 HD2 TYR 20 HD2 TYR 20 -8.047 -2.398 2.483 160 HE1 TYR 20 HE1 TYR 20 -7.479 -7.317 2.739 161 HE2 TYR 20 HE2 TYR 20 -8.891 -3.643 4.454 162 HH TYR 20 HH TYR 20 -9.187 -7.023 4.505 163 H ARG 21 H ARG 21 -8.538 -1.784 -0.620 164 HA ARG 21 HA ARG 21 -11.159 -2.493 -0.045 165 1HB ARG 21 1HB ARG 21 -9.812 -0.131 -0.826 166 2HB ARG 21 2HB ARG 21 -11.200 -0.286 -1.904 167 1HG ARG 21 1HG ARG 21 -12.736 -0.148 -0.175 168 2HG ARG 21 2HG ARG 21 -11.607 -0.791 1.017 169 1HD ARG 21 1HD ARG 21 -11.199 1.327 1.664 170 2HD ARG 21 2HD ARG 21 -10.430 1.591 0.098 171 HE ARG 21 HE ARG 21 -12.974 2.049 -0.591 172 1HH1 ARG 21 1HH1 ARG 21 -13.571 2.219 2.406 173 2HH1 ARG 21 2HH1 ARG 21 -13.493 3.931 2.659 174 1HH2 ARG 21 1HH2 ARG 21 -11.876 4.563 -0.341 175 2HH2 ARG 21 2HH2 ARG 21 -12.535 5.259 1.101 176 H SER 22 H SER 22 -9.537 -2.549 -3.160 177 HA SER 22 HA SER 22 -11.838 -2.821 -4.826 178 1HB SER 22 1HB SER 22 -9.387 -2.456 -5.523 179 2HB SER 22 2HB SER 22 -9.197 -4.198 -5.339 180 HG SER 22 HG SER 22 -10.520 -4.531 -7.005 181 H VAL 23 H VAL 23 -10.513 -4.965 -2.504 182 HA VAL 23 HA VAL 23 -12.024 -7.245 -3.720 183 HB VAL 23 HB VAL 23 -9.865 -7.452 -1.610 184 1HG1 VAL 23 1HG1 VAL 23 -11.481 -9.331 -3.276 185 2HG1 VAL 23 2HG1 VAL 23 -9.806 -9.771 -2.944 186 3HG1 VAL 23 3HG1 VAL 23 -10.926 -9.500 -1.610 187 1HG2 VAL 23 1HG2 VAL 23 -9.678 -7.003 -4.524 188 2HG2 VAL 23 2HG2 VAL 23 -8.466 -6.753 -3.267 189 3HG2 VAL 23 3HG2 VAL 23 -8.729 -8.365 -3.929 190 H ILE 24 H ILE 24 -11.730 -5.139 -0.981 191 HA ILE 24 HA ILE 24 -13.519 -6.860 0.645 192 HB ILE 24 HB ILE 24 -11.891 -4.386 1.230 193 1HG1 ILE 24 1HG1 ILE 24 -10.814 -5.852 2.848 194 2HG1 ILE 24 2HG1 ILE 24 -11.995 -7.124 2.534 195 1HG2 ILE 24 1HG2 ILE 24 -14.108 -4.136 2.314 196 2HG2 ILE 24 2HG2 ILE 24 -13.916 -5.726 3.050 197 3HG2 ILE 24 3HG2 ILE 24 -12.834 -4.410 3.502 198 1HD1 ILE 24 1HD1 ILE 24 -10.299 -5.997 0.308 199 2HD1 ILE 24 2HD1 ILE 24 -9.701 -7.296 1.342 200 3HD1 ILE 24 3HD1 ILE 24 -11.151 -7.541 0.368 201 H LYS 25 H LYS 25 -13.506 -3.851 -1.171 202 HA LYS 25 HA LYS 25 -16.450 -3.727 -0.810 203 1HB LYS 25 1HB LYS 25 -15.373 -2.195 0.875 204 2HB LYS 25 2HB LYS 25 -14.676 -1.293 -0.471 205 1HG LYS 25 1HG LYS 25 -16.590 -0.095 -0.498 206 2HG LYS 25 2HG LYS 25 -17.364 -1.536 -1.158 207 1HD LYS 25 1HD LYS 25 -18.608 -1.702 0.706 208 2HD LYS 25 2HD LYS 25 -17.136 -1.918 1.652 209 1HE LYS 25 1HE LYS 25 -16.901 0.623 1.657 210 2HE LYS 25 2HE LYS 25 -18.549 0.684 1.004 211 1HZ LYS 25 1HZ LYS 25 -18.606 -1.174 3.050 212 2HZ LYS 25 2HZ LYS 25 -17.711 0.132 3.663 213 3HZ LYS 25 3HZ LYS 25 -19.283 0.380 3.070 214 H ALA 26 H ALA 26 -17.497 -3.047 -2.671 215 HA ALA 26 HA ALA 26 -15.804 -2.694 -5.060 216 1HB ALA 26 1HB ALA 26 -18.027 -4.102 -4.811 217 2HB ALA 26 2HB ALA 26 -18.801 -2.547 -5.120 218 3HB ALA 26 3HB ALA 26 -17.693 -3.232 -6.310 Start of MODEL 10 1 1H MET 1 1H MET 1 18.720 0.105 -1.450 2 2H MET 1 2H MET 1 19.146 -0.605 -2.935 3 3H MET 1 3H MET 1 20.159 0.560 -2.233 4 HA MET 1 HA MET 1 19.089 1.845 -3.797 5 1HB MET 1 1HB MET 1 16.907 -0.156 -3.229 6 2HB MET 1 2HB MET 1 16.542 1.328 -4.111 7 1HG MET 1 1HG MET 1 18.711 0.594 -5.490 8 2HG MET 1 2HG MET 1 18.215 -1.004 -4.932 9 1HE MET 1 1HE MET 1 18.554 -0.687 -7.602 10 2HE MET 1 2HE MET 1 17.152 -0.552 -8.672 11 3HE MET 1 3HE MET 1 17.979 0.898 -8.110 12 HA PRO 2 HA PRO 2 17.766 4.475 -0.473 13 1HB PRO 2 1HB PRO 2 17.608 6.786 -1.928 14 2HB PRO 2 2HB PRO 2 19.149 6.087 -1.392 15 1HG PRO 2 1HG PRO 2 17.855 5.994 -4.064 16 2HG PRO 2 2HG PRO 2 19.569 6.119 -3.642 17 1HD PRO 2 1HD PRO 2 18.341 3.803 -4.464 18 2HD PRO 2 2HD PRO 2 19.820 3.859 -3.482 19 H GLY 3 H GLY 3 15.781 5.553 0.144 20 1HA GLY 3 1HA GLY 3 13.448 5.811 0.141 21 2HA GLY 3 2HA GLY 3 13.633 6.220 -1.565 22 H THR 4 H THR 4 14.113 3.185 0.276 23 HA THR 4 HA THR 4 12.214 1.899 -1.641 24 HB THR 4 HB THR 4 14.961 1.344 -1.235 25 HG1 THR 4 HG1 THR 4 12.848 -0.021 -2.521 26 1HG2 THR 4 1HG2 THR 4 13.178 -0.829 -0.105 27 2HG2 THR 4 2HG2 THR 4 14.856 -1.076 -0.590 28 3HG2 THR 4 3HG2 THR 4 14.473 0.021 0.738 29 H ILE 5 H ILE 5 13.469 2.025 1.656 30 HA ILE 5 HA ILE 5 11.494 0.091 2.642 31 HB ILE 5 HB ILE 5 13.513 1.885 4.014 32 1HG1 ILE 5 1HG1 ILE 5 13.374 -1.131 3.923 33 2HG1 ILE 5 2HG1 ILE 5 14.193 -0.203 2.668 34 1HG2 ILE 5 1HG2 ILE 5 11.531 1.577 5.457 35 2HG2 ILE 5 2HG2 ILE 5 11.641 -0.169 5.233 36 3HG2 ILE 5 3HG2 ILE 5 12.920 0.693 6.090 37 1HD1 ILE 5 1HD1 ILE 5 15.456 0.947 4.606 38 2HD1 ILE 5 2HD1 ILE 5 14.870 -0.384 5.604 39 3HD1 ILE 5 3HD1 ILE 5 15.909 -0.712 4.217 40 H LYS 6 H LYS 6 12.030 3.607 2.868 41 HA LYS 6 HA LYS 6 9.954 4.354 4.562 42 1HB LYS 6 1HB LYS 6 11.643 5.821 3.209 43 2HB LYS 6 2HB LYS 6 10.377 5.849 1.982 44 1HG LYS 6 1HG LYS 6 9.832 7.730 3.254 45 2HG LYS 6 2HG LYS 6 8.825 6.492 4.005 46 1HD LYS 6 1HD LYS 6 10.322 6.226 5.829 47 2HD LYS 6 2HD LYS 6 11.613 7.094 4.997 48 1HE LYS 6 1HE LYS 6 9.165 8.697 5.272 49 2HE LYS 6 2HE LYS 6 9.880 8.236 6.829 50 1HZ LYS 6 1HZ LYS 6 11.807 8.970 4.811 51 2HZ LYS 6 2HZ LYS 6 10.786 10.244 5.268 52 3HZ LYS 6 3HZ LYS 6 11.712 9.439 6.441 53 H GLU 7 H GLU 7 9.749 3.294 1.207 54 HA GLU 7 HA GLU 7 6.848 3.814 1.129 55 1HB GLU 7 1HB GLU 7 6.952 3.122 -1.150 56 2HB GLU 7 2HB GLU 7 8.436 4.023 -0.859 57 1HG GLU 7 1HG GLU 7 9.700 1.974 -0.574 58 2HG GLU 7 2HG GLU 7 8.229 1.010 -0.681 59 H ASN 8 H ASN 8 9.066 1.045 1.343 60 HA ASN 8 HA ASN 8 7.160 -1.034 1.202 61 1HB ASN 8 1HB ASN 8 9.741 -1.155 1.446 62 2HB ASN 8 2HB ASN 8 9.411 -1.076 3.171 63 1HD2 ASN 8 2HD2 ASN 8 8.866 -3.046 0.260 64 2HD2 ASN 8 1HD2 ASN 8 8.441 -4.462 1.094 65 H ILE 9 H ILE 9 7.593 1.456 3.522 66 HA ILE 9 HA ILE 9 6.017 0.004 5.585 67 HB ILE 9 HB ILE 9 7.241 2.771 5.709 68 1HG1 ILE 9 1HG1 ILE 9 8.811 0.745 5.286 69 2HG1 ILE 9 2HG1 ILE 9 9.191 1.825 6.623 70 1HG2 ILE 9 1HG2 ILE 9 5.708 1.047 7.558 71 2HG2 ILE 9 2HG2 ILE 9 7.155 1.778 8.252 72 3HG2 ILE 9 3HG2 ILE 9 5.900 2.800 7.550 73 1HD1 ILE 9 1HD1 ILE 9 7.354 -0.330 7.387 74 2HD1 ILE 9 2HD1 ILE 9 8.913 -0.926 6.816 75 3HD1 ILE 9 3HD1 ILE 9 8.843 0.202 8.169 76 H ILE 10 H ILE 10 5.628 2.265 3.028 77 HA ILE 10 HA ILE 10 2.929 2.966 4.125 78 HB ILE 10 HB ILE 10 4.912 4.788 3.676 79 1HG1 ILE 10 1HG1 ILE 10 2.900 5.356 4.827 80 2HG1 ILE 10 2HG1 ILE 10 2.987 6.450 3.446 81 1HG2 ILE 10 1HG2 ILE 10 3.322 4.591 1.105 82 2HG2 ILE 10 2HG2 ILE 10 4.238 6.020 1.577 83 3HG2 ILE 10 3HG2 ILE 10 5.074 4.495 1.292 84 1HD1 ILE 10 1HD1 ILE 10 1.626 4.519 2.246 85 2HD1 ILE 10 2HD1 ILE 10 1.171 4.110 3.900 86 3HD1 ILE 10 3HD1 ILE 10 0.796 5.707 3.250 87 H PHE 11 H PHE 11 4.818 2.673 1.137 88 HA PHE 11 HA PHE 11 2.728 2.436 -0.713 89 1HB PHE 11 1HB PHE 11 4.803 2.510 -1.726 90 2HB PHE 11 2HB PHE 11 5.554 1.500 -0.501 91 HD1 PHE 11 HD1 PHE 11 2.969 1.298 -3.190 92 HD2 PHE 11 HD2 PHE 11 6.094 -0.692 -1.028 93 HE1 PHE 11 HE1 PHE 11 2.734 -0.676 -4.682 94 HE2 PHE 11 HE2 PHE 11 5.865 -2.670 -2.516 95 HZ PHE 11 HZ PHE 11 4.185 -2.662 -4.342 96 H GLY 12 H GLY 12 3.901 0.171 1.687 97 1HA GLY 12 1HA GLY 12 2.431 -2.106 0.567 98 2HA GLY 12 2HA GLY 12 3.288 -2.083 2.109 99 H VAL 13 H VAL 13 2.029 0.239 3.199 100 HA VAL 13 HA VAL 13 -0.403 -0.962 4.219 101 HB VAL 13 HB VAL 13 0.870 1.766 4.544 102 1HG1 VAL 13 1HG1 VAL 13 -1.879 0.918 5.091 103 2HG1 VAL 13 2HG1 VAL 13 -1.052 1.513 6.531 104 3HG1 VAL 13 3HG1 VAL 13 -1.184 2.538 5.101 105 1HG2 VAL 13 1HG2 VAL 13 1.530 -0.603 5.671 106 2HG2 VAL 13 2HG2 VAL 13 1.699 0.934 6.518 107 3HG2 VAL 13 3HG2 VAL 13 0.284 -0.080 6.803 108 H SER 14 H SER 14 0.374 1.438 1.761 109 HA SER 14 HA SER 14 -2.300 2.427 1.380 110 1HB SER 14 1HB SER 14 -0.109 3.438 0.496 111 2HB SER 14 2HB SER 14 -0.188 2.223 -0.776 112 HG SER 14 HG SER 14 -1.294 3.881 -1.615 113 H TYR 15 H TYR 15 -0.468 -0.267 -0.024 114 HA TYR 15 HA TYR 15 -2.401 -1.028 -1.988 115 1HB TYR 15 1HB TYR 15 0.077 -1.897 -1.390 116 2HB TYR 15 2HB TYR 15 -0.860 -3.165 -0.603 117 HD1 TYR 15 HD1 TYR 15 -0.882 -1.217 -3.818 118 HD2 TYR 15 HD2 TYR 15 -1.440 -5.014 -1.890 119 HE1 TYR 15 HE1 TYR 15 -1.309 -2.274 -6.022 120 HE2 TYR 15 HE2 TYR 15 -1.867 -6.070 -4.092 121 HH TYR 15 HH TYR 15 -1.015 -5.137 -6.774 122 H ASP 16 H ASP 16 -1.823 -2.350 1.294 123 HA ASP 16 HA ASP 16 -3.978 -4.114 1.451 124 1HB ASP 16 1HB ASP 16 -2.843 -2.254 3.557 125 2HB ASP 16 2HB ASP 16 -4.066 -3.472 3.920 126 H GLU 17 H GLU 17 -3.975 -0.614 1.519 127 HA GLU 17 HA GLU 17 -6.867 -0.503 2.122 128 1HB GLU 17 1HB GLU 17 -4.769 1.230 2.630 129 2HB GLU 17 2HB GLU 17 -5.558 1.976 1.240 130 1HG GLU 17 1HG GLU 17 -7.458 2.463 2.409 131 2HG GLU 17 2HG GLU 17 -7.378 0.973 3.353 132 H TYR 18 H TYR 18 -4.646 -0.313 -0.580 133 HA TYR 18 HA TYR 18 -6.542 0.836 -2.453 134 1HB TYR 18 1HB TYR 18 -3.815 0.250 -2.484 135 2HB TYR 18 2HB TYR 18 -4.501 -0.887 -3.645 136 HD1 TYR 18 HD1 TYR 18 -6.703 0.475 -4.874 137 HD2 TYR 18 HD2 TYR 18 -2.922 2.084 -3.621 138 HE1 TYR 18 HE1 TYR 18 -6.931 2.303 -6.534 139 HE2 TYR 18 HE2 TYR 18 -3.149 3.913 -5.281 140 HH TYR 18 HH TYR 18 -4.324 4.378 -7.351 141 H ARG 19 H ARG 19 -5.599 -2.446 -1.520 142 HA ARG 19 HA ARG 19 -7.276 -3.710 -3.543 143 1HB ARG 19 1HB ARG 19 -5.557 -4.603 -1.281 144 2HB ARG 19 2HB ARG 19 -6.865 -5.687 -1.755 145 1HG ARG 19 1HG ARG 19 -5.929 -5.098 -4.200 146 2HG ARG 19 2HG ARG 19 -4.443 -4.859 -3.281 147 1HD ARG 19 1HD ARG 19 -6.085 -7.363 -3.585 148 2HD ARG 19 2HD ARG 19 -4.351 -7.143 -3.818 149 HE ARG 19 HE ARG 19 -4.827 -6.578 -1.113 150 1HH1 ARG 19 1HH1 ARG 19 -6.926 -8.733 -1.488 151 2HH1 ARG 19 2HH1 ARG 19 -6.029 -10.160 -1.091 152 1HH2 ARG 19 1HH2 ARG 19 -2.936 -8.616 -1.385 153 2HH2 ARG 19 2HH2 ARG 19 -3.768 -10.094 -1.037 154 H TYR 20 H TYR 20 -7.521 -3.095 -0.042 155 HA TYR 20 HA TYR 20 -9.940 -4.382 0.522 156 1HB TYR 20 1HB TYR 20 -8.737 -3.300 2.305 157 2HB TYR 20 2HB TYR 20 -8.868 -1.728 1.518 158 HD1 TYR 20 HD1 TYR 20 -11.222 -0.759 1.145 159 HD2 TYR 20 HD2 TYR 20 -10.411 -4.040 3.794 160 HE1 TYR 20 HE1 TYR 20 -13.377 -0.356 2.302 161 HE2 TYR 20 HE2 TYR 20 -12.566 -3.638 4.952 162 HH TYR 20 HH TYR 20 -14.546 -0.824 4.221 163 H ARG 21 H ARG 21 -9.359 -1.523 -1.390 164 HA ARG 21 HA ARG 21 -12.142 -0.648 -1.407 165 1HB ARG 21 1HB ARG 21 -9.629 0.368 -2.310 166 2HB ARG 21 2HB ARG 21 -10.715 0.307 -3.699 167 1HG ARG 21 1HG ARG 21 -12.264 1.756 -2.720 168 2HG ARG 21 2HG ARG 21 -11.709 1.404 -1.083 169 1HD ARG 21 1HD ARG 21 -11.040 3.686 -2.102 170 2HD ARG 21 2HD ARG 21 -9.771 2.737 -1.328 171 HE ARG 21 HE ARG 21 -9.893 2.076 -4.116 172 1HH1 ARG 21 1HH2 ARG 21 -10.013 4.989 -4.450 173 2HH1 ARG 21 2HH2 ARG 21 -8.350 5.468 -4.365 174 1HH2 ARG 21 1HH1 ARG 21 -7.294 2.504 -2.908 175 2HH2 ARG 21 2HH1 ARG 21 -6.810 4.062 -3.491 176 H SER 22 H SER 22 -9.998 -2.216 -3.807 177 HA SER 22 HA SER 22 -12.101 -2.679 -5.715 178 1HB SER 22 1HB SER 22 -9.685 -2.716 -6.304 179 2HB SER 22 2HB SER 22 -9.489 -4.181 -5.348 180 HG SER 22 HG SER 22 -11.192 -3.829 -7.598 181 H VAL 23 H VAL 23 -11.378 -4.127 -2.722 182 HA VAL 23 HA VAL 23 -12.560 -6.736 -3.431 183 HB VAL 23 HB VAL 23 -11.772 -5.727 -0.686 184 1HG1 VAL 23 1HG1 VAL 23 -12.301 -8.433 -1.925 185 2HG1 VAL 23 2HG1 VAL 23 -11.383 -8.260 -0.428 186 3HG1 VAL 23 3HG1 VAL 23 -13.060 -7.717 -0.502 187 1HG2 VAL 23 1HG2 VAL 23 -10.095 -6.108 -2.931 188 2HG2 VAL 23 2HG2 VAL 23 -9.596 -5.918 -1.250 189 3HG2 VAL 23 3HG2 VAL 23 -9.872 -7.530 -1.912 190 H ILE 24 H ILE 24 -13.515 -3.696 -2.023 191 HA ILE 24 HA ILE 24 -16.198 -4.889 -1.444 192 HB ILE 24 HB ILE 24 -14.669 -2.713 -0.004 193 1HG1 ILE 24 1HG1 ILE 24 -15.367 -4.173 1.961 194 2HG1 ILE 24 2HG1 ILE 24 -15.938 -5.351 0.779 195 1HG2 ILE 24 1HG2 ILE 24 -17.627 -3.364 0.071 196 2HG2 ILE 24 2HG2 ILE 24 -16.805 -2.472 1.351 197 3HG2 ILE 24 3HG2 ILE 24 -16.878 -1.806 -0.280 198 1HD1 ILE 24 1HD1 ILE 24 -13.272 -4.452 0.097 199 2HD1 ILE 24 2HD1 ILE 24 -13.311 -5.070 1.749 200 3HD1 ILE 24 3HD1 ILE 24 -13.845 -6.091 0.414 201 H LYS 25 H LYS 25 -14.543 -2.953 -3.550 202 HA LYS 25 HA LYS 25 -17.040 -1.472 -4.244 203 1HB LYS 25 1HB LYS 25 -15.038 -0.136 -3.100 204 2HB LYS 25 2HB LYS 25 -14.393 -0.170 -4.741 205 1HG LYS 25 1HG LYS 25 -17.204 0.491 -4.809 206 2HG LYS 25 2HG LYS 25 -16.354 1.585 -3.716 207 1HD LYS 25 1HD LYS 25 -15.195 0.953 -6.419 208 2HD LYS 25 2HD LYS 25 -16.452 2.179 -6.257 209 1HE LYS 25 1HE LYS 25 -14.651 2.750 -4.181 210 2HE LYS 25 2HE LYS 25 -13.631 2.373 -5.584 211 1HZ LYS 25 1HZ LYS 25 -15.390 3.769 -6.845 212 2HZ LYS 25 2HZ LYS 25 -15.725 4.425 -5.314 213 3HZ LYS 25 3HZ LYS 25 -14.169 4.566 -5.973 214 H ALA 26 H ALA 26 -17.069 -3.476 -5.698 215 HA ALA 26 HA ALA 26 -15.994 -2.716 -8.315 216 1HB ALA 26 1HB ALA 26 -14.358 -4.300 -6.778 217 2HB ALA 26 2HB ALA 26 -15.274 -5.503 -7.685 218 3HB ALA 26 3HB ALA 26 -14.350 -4.268 -8.540 Start of MODEL 11 1 1H MET 1 1H MET 1 17.784 -0.177 -6.196 2 2H MET 1 2H MET 1 16.744 -1.508 -6.344 3 3H MET 1 3H MET 1 17.346 -0.744 -7.737 4 HA MET 1 HA MET 1 15.993 1.122 -7.474 5 1HB MET 1 1HB MET 1 14.979 -1.579 -7.260 6 2HB MET 1 2HB MET 1 13.863 -0.457 -6.480 7 1HG MET 1 1HG MET 1 13.089 0.013 -8.548 8 2HG MET 1 2HG MET 1 14.608 0.870 -8.812 9 1HE MET 1 1HE MET 1 15.580 0.804 -10.459 10 2HE MET 1 2HE MET 1 16.508 -0.545 -11.111 11 3HE MET 1 3HE MET 1 14.980 -0.090 -11.862 12 HA PRO 2 HA PRO 2 16.278 2.033 -3.010 13 1HB PRO 2 1HB PRO 2 16.620 4.726 -3.360 14 2HB PRO 2 2HB PRO 2 17.958 3.562 -3.448 15 1HG PRO 2 1HG PRO 2 16.445 4.876 -5.649 16 2HG PRO 2 2HG PRO 2 18.172 4.507 -5.531 17 1HD PRO 2 1HD PRO 2 16.411 3.015 -6.983 18 2HD PRO 2 2HD PRO 2 17.896 2.355 -6.261 19 H GLY 3 H GLY 3 14.996 3.919 -1.805 20 1HA GLY 3 1HA GLY 3 12.972 5.095 -1.459 21 2HA GLY 3 2HA GLY 3 12.563 4.821 -3.154 22 H THR 4 H THR 4 13.239 2.623 -0.407 23 HA THR 4 HA THR 4 10.519 1.477 -0.782 24 HB THR 4 HB THR 4 12.787 0.247 -1.787 25 HG1 THR 4 HG1 THR 4 10.314 -0.800 -0.907 26 1HG2 THR 4 1HG2 THR 4 13.527 -0.233 0.566 27 2HG2 THR 4 2HG2 THR 4 12.059 -1.188 0.780 28 3HG2 THR 4 3HG2 THR 4 13.269 -1.682 -0.405 29 H ILE 5 H ILE 5 13.453 1.605 1.214 30 HA ILE 5 HA ILE 5 12.561 0.399 3.563 31 HB ILE 5 HB ILE 5 14.194 2.945 3.308 32 1HG1 ILE 5 1HG1 ILE 5 15.098 0.954 2.106 33 2HG1 ILE 5 2HG1 ILE 5 16.117 1.434 3.464 34 1HG2 ILE 5 1HG2 ILE 5 13.116 1.667 5.608 35 2HG2 ILE 5 2HG2 ILE 5 14.843 1.312 5.582 36 3HG2 ILE 5 3HG2 ILE 5 14.287 2.985 5.556 37 1HD1 ILE 5 1HD1 ILE 5 14.510 -0.274 4.762 38 2HD1 ILE 5 2HD1 ILE 5 14.393 -0.977 3.149 39 3HD1 ILE 5 3HD1 ILE 5 15.966 -0.815 3.929 40 H LYS 6 H LYS 6 11.795 3.623 2.331 41 HA LYS 6 HA LYS 6 10.274 4.373 4.707 42 1HB LYS 6 1HB LYS 6 11.208 5.662 2.323 43 2HB LYS 6 2HB LYS 6 9.465 5.908 2.443 44 1HG LYS 6 1HG LYS 6 9.865 6.561 4.882 45 2HG LYS 6 2HG LYS 6 11.582 6.619 4.481 46 1HD LYS 6 1HD LYS 6 10.984 8.201 2.594 47 2HD LYS 6 2HD LYS 6 9.357 8.275 3.268 48 1HE LYS 6 1HE LYS 6 11.924 9.056 4.697 49 2HE LYS 6 2HE LYS 6 10.637 10.154 4.157 50 1HZ LYS 6 1HZ LYS 6 9.086 8.725 5.503 51 2HZ LYS 6 2HZ LYS 6 10.462 8.008 6.199 52 3HZ LYS 6 3HZ LYS 6 10.167 9.669 6.406 53 H GLU 7 H GLU 7 9.382 3.514 1.347 54 HA GLU 7 HA GLU 7 6.573 3.474 1.782 55 1HB GLU 7 1HB GLU 7 8.125 1.679 -0.104 56 2HB GLU 7 2HB GLU 7 6.437 2.170 -0.254 57 1HG GLU 7 1HG GLU 7 8.122 4.500 0.024 58 2HG GLU 7 2HG GLU 7 8.695 3.495 -1.308 59 H ASN 8 H ASN 8 9.019 0.908 2.122 60 HA ASN 8 HA ASN 8 7.415 -1.291 2.667 61 1HB ASN 8 1HB ASN 8 9.975 -1.111 2.699 62 2HB ASN 8 2HB ASN 8 9.779 -0.631 4.378 63 1HD2 ASN 8 2HD2 ASN 8 8.919 -3.281 2.114 64 2HD2 ASN 8 1HD2 ASN 8 8.876 -4.491 3.304 65 H ILE 9 H ILE 9 7.800 1.595 4.557 66 HA ILE 9 HA ILE 9 6.430 0.358 6.882 67 HB ILE 9 HB ILE 9 7.234 3.241 6.777 68 1HG1 ILE 9 1HG1 ILE 9 9.140 1.958 5.827 69 2HG1 ILE 9 2HG1 ILE 9 9.518 2.624 7.412 70 1HG2 ILE 9 1HG2 ILE 9 6.031 2.088 8.719 71 2HG2 ILE 9 2HG2 ILE 9 7.521 1.180 8.973 72 3HG2 ILE 9 3HG2 ILE 9 7.522 2.937 9.129 73 1HD1 ILE 9 1HD1 ILE 9 8.290 -0.033 7.550 74 2HD1 ILE 9 2HD1 ILE 9 9.830 -0.023 6.689 75 3HD1 ILE 9 3HD1 ILE 9 9.743 0.573 8.346 76 H ILE 10 H ILE 10 5.747 2.244 4.095 77 HA ILE 10 HA ILE 10 3.087 2.953 5.274 78 HB ILE 10 HB ILE 10 4.947 4.759 4.382 79 1HG1 ILE 10 1HG1 ILE 10 2.918 5.248 5.676 80 2HG1 ILE 10 2HG1 ILE 10 3.055 6.352 4.307 81 1HG2 ILE 10 1HG2 ILE 10 3.098 4.146 2.060 82 2HG2 ILE 10 2HG2 ILE 10 3.994 5.656 2.221 83 3HG2 ILE 10 3HG2 ILE 10 4.861 4.130 2.057 84 1HD1 ILE 10 1HD1 ILE 10 1.618 4.521 3.068 85 2HD1 ILE 10 2HD1 ILE 10 1.163 4.057 4.708 86 3HD1 ILE 10 3HD1 ILE 10 0.830 5.688 4.128 87 H PHE 11 H PHE 11 4.760 2.282 2.203 88 HA PHE 11 HA PHE 11 2.676 1.773 0.489 89 1HB PHE 11 1HB PHE 11 4.639 1.370 -0.591 90 2HB PHE 11 2HB PHE 11 5.431 0.799 0.865 91 HD1 PHE 11 HD1 PHE 11 4.879 -1.551 1.711 92 HD2 PHE 11 HD2 PHE 11 3.879 -0.158 -2.224 93 HE1 PHE 11 HE1 PHE 11 4.632 -3.899 0.945 94 HE2 PHE 11 HE2 PHE 11 3.631 -2.506 -2.996 95 HZ PHE 11 HZ PHE 11 4.009 -4.376 -1.409 96 H GLY 12 H GLY 12 3.736 -0.179 3.219 97 1HA GLY 12 1HA GLY 12 2.012 -2.443 2.571 98 2HA GLY 12 2HA GLY 12 2.864 -2.196 4.099 99 H VAL 13 H VAL 13 1.881 0.280 4.861 100 HA VAL 13 HA VAL 13 -0.695 -0.411 5.950 101 HB VAL 13 HB VAL 13 0.793 2.230 5.811 102 1HG1 VAL 13 1HG1 VAL 13 -1.758 1.429 7.227 103 2HG1 VAL 13 2HG1 VAL 13 -0.793 2.819 7.722 104 3HG1 VAL 13 3HG1 VAL 13 -1.515 2.776 6.114 105 1HG2 VAL 13 1HG2 VAL 13 1.412 -0.030 7.229 106 2HG2 VAL 13 2HG2 VAL 13 1.823 1.606 7.745 107 3HG2 VAL 13 3HG2 VAL 13 0.374 0.821 8.374 108 H SER 14 H SER 14 0.389 1.433 3.160 109 HA SER 14 HA SER 14 -2.250 2.531 2.576 110 1HB SER 14 1HB SER 14 0.403 2.930 1.640 111 2HB SER 14 2HB SER 14 -0.555 2.423 0.252 112 HG SER 14 HG SER 14 -0.638 4.739 1.723 113 H TYR 15 H TYR 15 -0.381 -0.306 1.652 114 HA TYR 15 HA TYR 15 -1.991 -1.151 -0.555 115 1HB TYR 15 1HB TYR 15 0.278 -2.080 0.603 116 2HB TYR 15 2HB TYR 15 -0.882 -3.253 1.219 117 HD1 TYR 15 HD1 TYR 15 -0.750 -1.402 -2.034 118 HD2 TYR 15 HD2 TYR 15 -0.632 -5.210 -0.048 119 HE1 TYR 15 HE1 TYR 15 -0.758 -2.551 -4.233 120 HE2 TYR 15 HE2 TYR 15 -0.640 -6.357 -2.247 121 HH TYR 15 HH TYR 15 -1.553 -5.000 -5.023 122 H ASP 16 H ASP 16 -2.090 -2.135 2.890 123 HA ASP 16 HA ASP 16 -4.362 -3.786 2.767 124 1HB ASP 16 1HB ASP 16 -3.032 -2.168 4.855 125 2HB ASP 16 2HB ASP 16 -4.738 -2.502 5.158 126 H GLU 17 H GLU 17 -4.085 -0.356 2.401 127 HA GLU 17 HA GLU 17 -7.028 0.001 2.629 128 1HB GLU 17 1HB GLU 17 -5.227 1.593 3.668 129 2HB GLU 17 2HB GLU 17 -5.070 2.206 2.022 130 1HG GLU 17 1HG GLU 17 -7.392 2.822 1.941 131 2HG GLU 17 2HG GLU 17 -7.727 1.980 3.454 132 H TYR 18 H TYR 18 -4.522 -0.412 0.296 133 HA TYR 18 HA TYR 18 -6.102 0.866 -1.860 134 1HB TYR 18 1HB TYR 18 -3.333 0.217 -1.442 135 2HB TYR 18 2HB TYR 18 -3.891 -0.573 -2.917 136 HD1 TYR 18 HD1 TYR 18 -4.217 2.728 -1.153 137 HD2 TYR 18 HD2 TYR 18 -3.846 0.652 -4.895 138 HE1 TYR 18 HE1 TYR 18 -4.134 4.899 -2.349 139 HE2 TYR 18 HE2 TYR 18 -3.764 2.822 -6.091 140 HH TYR 18 HH TYR 18 -4.109 5.048 -5.885 141 H ARG 19 H ARG 19 -4.702 -2.370 -1.213 142 HA ARG 19 HA ARG 19 -5.976 -3.728 -3.340 143 1HB ARG 19 1HB ARG 19 -4.606 -4.448 -0.864 144 2HB ARG 19 2HB ARG 19 -5.897 -5.581 -1.264 145 1HG ARG 19 1HG ARG 19 -4.657 -5.097 -3.712 146 2HG ARG 19 2HG ARG 19 -3.316 -5.185 -2.569 147 1HD ARG 19 1HD ARG 19 -5.033 -7.266 -1.809 148 2HD ARG 19 2HD ARG 19 -5.014 -7.323 -3.571 149 HE ARG 19 HE ARG 19 -2.370 -7.099 -2.295 150 1HH1 ARG 19 1HH1 ARG 19 -4.859 -9.355 -2.841 151 2HH1 ARG 19 2HH1 ARG 19 -3.822 -10.570 -3.509 152 1HH2 ARG 19 1HH2 ARG 19 -1.005 -8.549 -3.496 153 2HH2 ARG 19 2HH2 ARG 19 -1.639 -10.115 -3.877 154 H TYR 20 H TYR 20 -7.277 -2.607 -0.301 155 HA TYR 20 HA TYR 20 -9.584 -4.332 -0.243 156 1HB TYR 20 1HB TYR 20 -8.861 -3.126 1.759 157 2HB TYR 20 2HB TYR 20 -9.154 -1.581 0.959 158 HD1 TYR 20 HD1 TYR 20 -10.779 -4.665 2.242 159 HD2 TYR 20 HD2 TYR 20 -11.362 -0.673 0.768 160 HE1 TYR 20 HE1 TYR 20 -13.156 -4.753 2.942 161 HE2 TYR 20 HE2 TYR 20 -13.739 -0.761 1.469 162 HH TYR 20 HH TYR 20 -15.104 -3.698 2.965 163 H ARG 21 H ARG 21 -9.070 -1.026 -1.494 164 HA ARG 21 HA ARG 21 -11.798 -0.746 -2.424 165 1HB ARG 21 1HB ARG 21 -9.289 0.801 -2.570 166 2HB ARG 21 2HB ARG 21 -10.358 1.011 -3.958 167 1HG ARG 21 1HG ARG 21 -12.186 1.181 -1.990 168 2HG ARG 21 2HG ARG 21 -10.776 1.772 -1.112 169 1HD ARG 21 1HD ARG 21 -10.670 3.024 -3.634 170 2HD ARG 21 2HD ARG 21 -12.357 3.120 -3.129 171 HE ARG 21 HE ARG 21 -10.142 4.050 -1.346 172 1HH1 ARG 21 1HH2 ARG 21 -11.139 6.134 -3.195 173 2HH1 ARG 21 2HH2 ARG 21 -12.429 6.861 -2.297 174 1HH2 ARG 21 1HH1 ARG 21 -12.694 4.235 -0.046 175 2HH2 ARG 21 2HH1 ARG 21 -13.309 5.786 -0.512 176 H SER 22 H SER 22 -8.798 -1.921 -3.868 177 HA SER 22 HA SER 22 -9.861 -2.024 -6.568 178 1HB SER 22 1HB SER 22 -7.410 -1.928 -5.996 179 2HB SER 22 2HB SER 22 -7.535 -3.587 -5.417 180 HG SER 22 HG SER 22 -7.060 -2.857 -7.841 181 H VAL 23 H VAL 23 -10.588 -3.839 -3.847 182 HA VAL 23 HA VAL 23 -11.145 -6.277 -5.483 183 HB VAL 23 HB VAL 23 -11.084 -5.953 -2.467 184 1HG1 VAL 23 1HG1 VAL 23 -12.194 -7.971 -4.185 185 2HG1 VAL 23 2HG1 VAL 23 -10.803 -8.647 -3.334 186 3HG1 VAL 23 3HG1 VAL 23 -12.137 -7.941 -2.422 187 1HG2 VAL 23 1HG2 VAL 23 -8.939 -5.998 -4.190 188 2HG2 VAL 23 2HG2 VAL 23 -8.889 -6.552 -2.516 189 3HG2 VAL 23 3HG2 VAL 23 -9.142 -7.711 -3.821 190 H ILE 24 H ILE 24 -12.644 -3.820 -3.438 191 HA ILE 24 HA ILE 24 -15.291 -5.104 -3.950 192 HB ILE 24 HB ILE 24 -14.399 -3.067 -1.894 193 1HG1 ILE 24 1HG1 ILE 24 -15.261 -4.884 -0.352 194 2HG1 ILE 24 2HG1 ILE 24 -15.419 -5.919 -1.772 195 1HG2 ILE 24 1HG2 ILE 24 -17.172 -4.112 -2.539 196 2HG2 ILE 24 2HG2 ILE 24 -16.764 -3.207 -1.082 197 3HG2 ILE 24 3HG2 ILE 24 -16.623 -2.441 -2.665 198 1HD1 ILE 24 1HD1 ILE 24 -12.809 -4.634 -1.684 199 2HD1 ILE 24 2HD1 ILE 24 -13.113 -5.572 -0.222 200 3HD1 ILE 24 3HD1 ILE 24 -13.204 -6.349 -1.802 201 H LYS 25 H LYS 25 -13.310 -2.433 -4.823 202 HA LYS 25 HA LYS 25 -15.568 -1.343 -6.417 203 1HB LYS 25 1HB LYS 25 -15.063 -0.086 -4.141 204 2HB LYS 25 2HB LYS 25 -13.731 0.603 -5.069 205 1HG LYS 25 1HG LYS 25 -15.133 1.979 -6.167 206 2HG LYS 25 2HG LYS 25 -16.152 0.621 -6.648 207 1HD LYS 25 1HD LYS 25 -16.288 1.712 -3.844 208 2HD LYS 25 2HD LYS 25 -17.196 2.478 -5.148 209 1HE LYS 25 1HE LYS 25 -17.747 -0.213 -5.532 210 2HE LYS 25 2HE LYS 25 -17.732 -0.051 -3.764 211 1HZ LYS 25 1HZ LYS 25 -19.155 1.786 -5.616 212 2HZ LYS 25 2HZ LYS 25 -19.902 0.536 -4.746 213 3HZ LYS 25 3HZ LYS 25 -19.189 1.837 -3.919 214 H ALA 26 H ALA 26 -14.565 -2.108 -8.319 215 HA ALA 26 HA ALA 26 -11.928 -0.837 -8.949 216 1HB ALA 26 1HB ALA 26 -12.502 -3.552 -8.880 217 2HB ALA 26 2HB ALA 26 -12.650 -3.153 -10.592 218 3HB ALA 26 3HB ALA 26 -11.148 -2.812 -9.734 Start of MODEL 12 1 1H MET 1 1H MET 1 15.667 1.986 -6.678 2 2H MET 1 2H MET 1 14.658 1.846 -8.038 3 3H MET 1 3H MET 1 15.833 3.069 -7.977 4 HA MET 1 HA MET 1 14.067 4.336 -7.352 5 1HB MET 1 1HB MET 1 12.568 2.436 -7.802 6 2HB MET 1 2HB MET 1 12.973 1.733 -6.236 7 1HG MET 1 1HG MET 1 12.212 4.342 -5.619 8 2HG MET 1 2HG MET 1 11.071 3.851 -6.872 9 1HE MET 1 1HE MET 1 10.917 4.618 -3.825 10 2HE MET 1 2HE MET 1 9.312 4.243 -4.449 11 3HE MET 1 3HE MET 1 9.888 3.475 -2.965 12 HA PRO 2 HA PRO 2 16.059 4.842 -3.372 13 1HB PRO 2 1HB PRO 2 15.423 7.490 -3.085 14 2HB PRO 2 2HB PRO 2 16.758 6.921 -4.109 15 1HG PRO 2 1HG PRO 2 14.031 7.816 -4.877 16 2HG PRO 2 2HG PRO 2 15.575 8.050 -5.709 17 1HD PRO 2 1HD PRO 2 13.701 6.179 -6.432 18 2HD PRO 2 2HD PRO 2 15.435 6.050 -6.797 19 H GLY 3 H GLY 3 15.163 5.983 -1.230 20 1HA GLY 3 1HA GLY 3 13.536 5.833 0.461 21 2HA GLY 3 2HA GLY 3 12.417 6.402 -0.779 22 H THR 4 H THR 4 14.252 3.347 -0.586 23 HA THR 4 HA THR 4 11.820 1.866 -1.278 24 HB THR 4 HB THR 4 14.462 1.460 -1.818 25 HG1 THR 4 HG1 THR 4 12.829 0.463 -2.922 26 1HG2 THR 4 1HG2 THR 4 13.751 -0.389 0.476 27 2HG2 THR 4 2HG2 THR 4 15.104 -0.652 -0.623 28 3HG2 THR 4 3HG2 THR 4 15.081 0.768 0.422 29 H ILE 5 H ILE 5 14.077 1.930 1.484 30 HA ILE 5 HA ILE 5 12.754 0.077 3.141 31 HB ILE 5 HB ILE 5 14.134 2.633 4.014 32 1HG1 ILE 5 1HG1 ILE 5 15.666 1.412 2.636 33 2HG1 ILE 5 2HG1 ILE 5 16.092 1.012 4.301 34 1HG2 ILE 5 1HG2 ILE 5 12.704 0.757 5.507 35 2HG2 ILE 5 2HG2 ILE 5 14.388 0.269 5.702 36 3HG2 ILE 5 3HG2 ILE 5 13.888 1.905 6.136 37 1HD1 ILE 5 1HD1 ILE 5 14.712 -1.053 4.128 38 2HD1 ILE 5 2HD1 ILE 5 14.385 -0.668 2.439 39 3HD1 ILE 5 3HD1 ILE 5 16.031 -1.032 2.956 40 H LYS 6 H LYS 6 12.098 3.532 2.676 41 HA LYS 6 HA LYS 6 10.118 3.796 4.711 42 1HB LYS 6 1HB LYS 6 10.123 5.266 2.064 43 2HB LYS 6 2HB LYS 6 9.482 5.831 3.608 44 1HG LYS 6 1HG LYS 6 12.387 5.379 2.878 45 2HG LYS 6 2HG LYS 6 11.613 6.908 3.302 46 1HD LYS 6 1HD LYS 6 11.204 6.112 5.576 47 2HD LYS 6 2HD LYS 6 11.868 4.529 5.167 48 1HE LYS 6 1HE LYS 6 13.613 5.790 6.295 49 2HE LYS 6 2HE LYS 6 14.044 5.715 4.575 50 1HZ LYS 6 1HZ LYS 6 12.452 7.911 5.784 51 2HZ LYS 6 2HZ LYS 6 14.132 7.997 5.536 52 3HZ LYS 6 3HZ LYS 6 13.086 7.847 4.209 53 H GLU 7 H GLU 7 9.738 3.143 1.208 54 HA GLU 7 HA GLU 7 6.905 2.768 1.375 55 1HB GLU 7 1HB GLU 7 7.047 1.841 -0.841 56 2HB GLU 7 2HB GLU 7 8.203 3.162 -0.727 57 1HG GLU 7 1HG GLU 7 9.978 1.796 -1.033 58 2HG GLU 7 2HG GLU 7 9.332 0.570 0.050 59 H ASN 8 H ASN 8 9.628 0.637 1.997 60 HA ASN 8 HA ASN 8 8.154 -1.819 1.976 61 1HB ASN 8 1HB ASN 8 10.569 -1.891 2.018 62 2HB ASN 8 2HB ASN 8 10.593 -0.994 3.528 63 1HD2 ASN 8 1HD2 ASN 8 9.644 -2.116 5.476 64 2HD2 ASN 8 2HD2 ASN 8 9.647 -3.813 5.530 65 H ILE 9 H ILE 9 7.969 0.926 3.945 66 HA ILE 9 HA ILE 9 6.762 -0.641 6.189 67 HB ILE 9 HB ILE 9 7.761 2.211 6.086 68 1HG1 ILE 9 1HG1 ILE 9 8.821 -0.322 7.362 69 2HG1 ILE 9 2HG1 ILE 9 9.566 0.580 6.043 70 1HG2 ILE 9 1HG2 ILE 9 6.173 0.647 8.061 71 2HG2 ILE 9 2HG2 ILE 9 7.484 1.630 8.712 72 3HG2 ILE 9 3HG2 ILE 9 6.201 2.385 7.767 73 1HD1 ILE 9 1HD1 ILE 9 9.023 1.743 8.778 74 2HD1 ILE 9 2HD1 ILE 9 10.574 1.061 8.289 75 3HD1 ILE 9 3HD1 ILE 9 9.938 2.487 7.468 76 H ILE 10 H ILE 10 5.971 1.209 3.482 77 HA ILE 10 HA ILE 10 3.264 1.774 4.645 78 HB ILE 10 HB ILE 10 5.006 3.721 3.886 79 1HG1 ILE 10 1HG1 ILE 10 2.852 4.063 5.005 80 2HG1 ILE 10 2HG1 ILE 10 3.009 5.172 3.641 81 1HG2 ILE 10 1HG2 ILE 10 5.059 2.932 1.537 82 2HG2 ILE 10 2HG2 ILE 10 3.316 3.174 1.429 83 3HG2 ILE 10 3HG2 ILE 10 4.386 4.556 1.667 84 1HD1 ILE 10 1HD1 ILE 10 1.750 3.468 2.248 85 2HD1 ILE 10 2HD1 ILE 10 1.419 2.598 3.745 86 3HD1 ILE 10 3HD1 ILE 10 0.799 4.234 3.519 87 H PHE 11 H PHE 11 5.180 1.080 1.800 88 HA PHE 11 HA PHE 11 3.292 0.576 -0.156 89 1HB PHE 11 1HB PHE 11 5.879 0.288 -0.123 90 2HB PHE 11 2HB PHE 11 5.530 -1.366 0.375 91 HD1 PHE 11 HD1 PHE 11 4.138 -2.824 -1.075 92 HD2 PHE 11 HD2 PHE 11 5.521 1.037 -2.323 93 HE1 PHE 11 HE1 PHE 11 3.657 -3.425 -3.444 94 HE2 PHE 11 HE2 PHE 11 5.044 0.449 -4.696 95 HZ PHE 11 HZ PHE 11 4.112 -1.785 -5.252 96 H GLY 12 H GLY 12 4.053 -1.349 2.693 97 1HA GLY 12 1HA GLY 12 2.324 -3.571 1.858 98 2HA GLY 12 2HA GLY 12 3.151 -3.428 3.412 99 H VAL 13 H VAL 13 2.244 -1.053 4.406 100 HA VAL 13 HA VAL 13 -0.396 -1.706 5.321 101 HB VAL 13 HB VAL 13 1.257 0.826 5.475 102 1HG1 VAL 13 1HG1 VAL 13 -1.594 0.347 6.115 103 2HG1 VAL 13 2HG1 VAL 13 -0.657 1.123 7.392 104 3HG1 VAL 13 3HG1 VAL 13 -0.751 1.862 5.794 105 1HG2 VAL 13 1HG2 VAL 13 1.618 -1.475 6.799 106 2HG2 VAL 13 2HG2 VAL 13 1.866 0.088 7.580 107 3HG2 VAL 13 3HG2 VAL 13 0.355 -0.789 7.822 108 H SER 14 H SER 14 0.830 0.404 2.768 109 HA SER 14 HA SER 14 -1.652 1.710 2.166 110 1HB SER 14 1HB SER 14 0.924 1.950 1.259 111 2HB SER 14 2HB SER 14 0.146 1.164 -0.111 112 HG SER 14 HG SER 14 -0.063 3.710 0.765 113 H TYR 15 H TYR 15 -0.102 -1.219 0.843 114 HA TYR 15 HA TYR 15 -2.083 -1.848 -1.091 115 1HB TYR 15 1HB TYR 15 0.247 -2.999 -0.354 116 2HB TYR 15 2HB TYR 15 -0.877 -4.097 0.441 117 HD1 TYR 15 HD1 TYR 15 -3.075 -4.560 -1.161 118 HD2 TYR 15 HD2 TYR 15 0.914 -3.667 -2.480 119 HE1 TYR 15 HE1 TYR 15 -3.547 -5.660 -3.332 120 HE2 TYR 15 HE2 TYR 15 0.442 -4.770 -4.651 121 HH TYR 15 HH TYR 15 -1.011 -6.011 -5.803 122 H ASP 16 H ASP 16 -1.769 -2.995 2.282 123 HA ASP 16 HA ASP 16 -4.095 -4.507 2.503 124 1HB ASP 16 1HB ASP 16 -2.644 -2.700 4.411 125 2HB ASP 16 2HB ASP 16 -4.194 -3.387 4.901 126 H GLU 17 H GLU 17 -3.748 -1.029 2.257 127 HA GLU 17 HA GLU 17 -6.648 -0.604 2.698 128 1HB GLU 17 1HB GLU 17 -4.621 0.963 3.427 129 2HB GLU 17 2HB GLU 17 -4.800 1.569 1.780 130 1HG GLU 17 1HG GLU 17 -6.548 2.813 2.447 131 2HG GLU 17 2HG GLU 17 -7.415 1.336 2.869 132 H TYR 18 H TYR 18 -4.273 -0.839 0.152 133 HA TYR 18 HA TYR 18 -5.852 0.386 -1.932 134 1HB TYR 18 1HB TYR 18 -3.317 -0.144 -1.911 135 2HB TYR 18 2HB TYR 18 -3.791 -1.778 -2.368 136 HD1 TYR 18 HD1 TYR 18 -6.323 0.123 -3.708 137 HD2 TYR 18 HD2 TYR 18 -2.129 -0.615 -4.284 138 HE1 TYR 18 HE1 TYR 18 -6.520 0.839 -6.072 139 HE2 TYR 18 HE2 TYR 18 -2.330 0.100 -6.650 140 HH TYR 18 HH TYR 18 -3.783 1.449 -8.044 141 H ARG 19 H ARG 19 -5.360 -2.987 -0.880 142 HA ARG 19 HA ARG 19 -7.123 -4.117 -2.867 143 1HB ARG 19 1HB ARG 19 -5.448 -5.078 -0.769 144 2HB ARG 19 2HB ARG 19 -7.064 -5.731 -0.495 145 1HG ARG 19 1HG ARG 19 -6.705 -5.977 -3.248 146 2HG ARG 19 2HG ARG 19 -5.131 -6.402 -2.576 147 1HD ARG 19 1HD ARG 19 -7.640 -7.544 -1.372 148 2HD ARG 19 2HD ARG 19 -6.943 -8.271 -2.819 149 HE ARG 19 HE ARG 19 -5.285 -7.911 -0.360 150 1HH1 ARG 19 1HH1 ARG 19 -4.948 -9.283 -3.266 151 2HH1 ARG 19 2HH1 ARG 19 -4.787 -10.925 -2.738 152 1HH2 ARG 19 1HH2 ARG 19 -5.820 -10.261 0.504 153 2HH2 ARG 19 2HH2 ARG 19 -5.280 -11.478 -0.603 154 H TYR 20 H TYR 20 -7.589 -2.698 0.298 155 HA TYR 20 HA TYR 20 -10.287 -3.714 0.664 156 1HB TYR 20 1HB TYR 20 -9.046 -3.062 2.628 157 2HB TYR 20 2HB TYR 20 -8.740 -1.456 1.966 158 HD1 TYR 20 HD1 TYR 20 -11.720 -3.685 2.497 159 HD2 TYR 20 HD2 TYR 20 -10.032 0.246 2.876 160 HE1 TYR 20 HE1 TYR 20 -13.839 -2.871 3.494 161 HE2 TYR 20 HE2 TYR 20 -12.152 1.060 3.872 162 HH TYR 20 HH TYR 20 -14.110 0.362 4.848 163 H ARG 21 H ARG 21 -8.915 -1.312 -1.309 164 HA ARG 21 HA ARG 21 -11.457 0.232 -1.435 165 1HB ARG 21 1HB ARG 21 -9.017 1.250 -1.308 166 2HB ARG 21 2HB ARG 21 -9.022 0.932 -3.043 167 1HG ARG 21 1HG ARG 21 -11.181 2.189 -3.216 168 2HG ARG 21 2HG ARG 21 -11.029 2.608 -1.509 169 1HD ARG 21 1HD ARG 21 -9.465 4.194 -1.923 170 2HD ARG 21 2HD ARG 21 -8.598 3.162 -3.061 171 HE ARG 21 HE ARG 21 -10.965 4.841 -3.773 172 1HH1 ARG 21 1HH1 ARG 21 -9.030 2.332 -4.894 173 2HH1 ARG 21 2HH1 ARG 21 -8.624 3.086 -6.400 174 1HH2 ARG 21 1HH2 ARG 21 -10.071 6.126 -5.569 175 2HH2 ARG 21 2HH2 ARG 21 -9.211 5.237 -6.780 176 H SER 22 H SER 22 -9.167 -1.524 -3.536 177 HA SER 22 HA SER 22 -10.827 -1.268 -5.895 178 1HB SER 22 1HB SER 22 -8.405 -1.701 -6.054 179 2HB SER 22 2HB SER 22 -8.624 -3.254 -5.253 180 HG SER 22 HG SER 22 -9.154 -2.486 -7.846 181 H VAL 23 H VAL 23 -10.446 -3.728 -3.372 182 HA VAL 23 HA VAL 23 -12.064 -5.745 -4.591 183 HB VAL 23 HB VAL 23 -11.531 -5.122 -1.671 184 1HG1 VAL 23 1HG1 VAL 23 -13.636 -6.459 -2.092 185 2HG1 VAL 23 2HG1 VAL 23 -12.630 -7.679 -2.871 186 3HG1 VAL 23 3HG1 VAL 23 -12.406 -7.314 -1.161 187 1HG2 VAL 23 1HG2 VAL 23 -9.609 -5.769 -3.235 188 2HG2 VAL 23 2HG2 VAL 23 -9.834 -6.801 -1.823 189 3HG2 VAL 23 3HG2 VAL 23 -10.403 -7.335 -3.403 190 H ILE 24 H ILE 24 -12.908 -3.200 -2.219 191 HA ILE 24 HA ILE 24 -15.776 -3.811 -2.610 192 HB ILE 24 HB ILE 24 -14.374 -1.805 -0.815 193 1HG1 ILE 24 1HG1 ILE 24 -15.188 -3.427 0.962 194 2HG1 ILE 24 2HG1 ILE 24 -15.582 -4.544 -0.344 195 1HG2 ILE 24 1HG2 ILE 24 -17.184 -2.207 -1.553 196 2HG2 ILE 24 2HG2 ILE 24 -16.912 -2.286 0.187 197 3HG2 ILE 24 3HG2 ILE 24 -16.428 -0.851 -0.717 198 1HD1 ILE 24 1HD1 ILE 24 -12.839 -3.327 -0.219 199 2HD1 ILE 24 2HD1 ILE 24 -13.231 -4.700 0.818 200 3HD1 ILE 24 3HD1 ILE 24 -13.346 -4.857 -0.935 201 H LYS 25 H LYS 25 -13.657 -2.227 -4.430 202 HA LYS 25 HA LYS 25 -14.504 0.412 -4.793 203 1HB LYS 25 1HB LYS 25 -12.958 -1.452 -6.246 204 2HB LYS 25 2HB LYS 25 -14.172 -0.846 -7.372 205 1HG LYS 25 1HG LYS 25 -13.565 1.485 -6.704 206 2HG LYS 25 2HG LYS 25 -12.271 0.824 -5.703 207 1HD LYS 25 1HD LYS 25 -10.940 0.820 -7.517 208 2HD LYS 25 2HD LYS 25 -11.996 -0.398 -8.235 209 1HE LYS 25 1HE LYS 25 -11.899 1.456 -9.791 210 2HE LYS 25 2HE LYS 25 -13.488 1.539 -9.002 211 1HZ LYS 25 1HZ LYS 25 -11.058 2.972 -8.070 212 2HZ LYS 25 2HZ LYS 25 -12.311 3.688 -8.960 213 3HZ LYS 25 3HZ LYS 25 -12.615 3.087 -7.400 214 H ALA 26 H ALA 26 -16.177 1.390 -6.016 215 HA ALA 26 HA ALA 26 -18.372 -0.463 -6.857 216 1HB ALA 26 1HB ALA 26 -18.448 2.061 -5.232 217 2HB ALA 26 2HB ALA 26 -19.829 1.649 -6.251 218 3HB ALA 26 3HB ALA 26 -19.312 0.545 -4.976 Start of MODEL 13 1 1H MET 1 1H MET 1 12.622 2.383 -8.384 2 2H MET 1 2H MET 1 12.051 3.247 -9.732 3 3H MET 1 3H MET 1 13.722 3.055 -9.488 4 HA MET 1 HA MET 1 13.438 5.192 -8.716 5 1HB MET 1 1HB MET 1 11.054 5.213 -9.150 6 2HB MET 1 2HB MET 1 10.755 4.110 -7.805 7 1HG MET 1 1HG MET 1 11.894 5.939 -6.346 8 2HG MET 1 2HG MET 1 11.580 7.006 -7.715 9 1HE MET 1 1HE MET 1 9.290 6.674 -9.021 10 2HE MET 1 2HE MET 1 8.841 5.022 -8.577 11 3HE MET 1 3HE MET 1 7.741 6.358 -8.244 12 HA PRO 2 HA PRO 2 15.207 4.025 -4.845 13 1HB PRO 2 1HB PRO 2 15.776 6.538 -3.915 14 2HB PRO 2 2HB PRO 2 16.720 5.741 -5.188 15 1HG PRO 2 1HG PRO 2 14.615 7.828 -5.420 16 2HG PRO 2 2HG PRO 2 16.113 7.626 -6.342 17 1HD PRO 2 1HD PRO 2 13.647 6.919 -7.283 18 2HD PRO 2 2HD PRO 2 15.163 6.158 -7.814 19 H GLY 3 H GLY 3 14.893 4.682 -2.429 20 1HA GLY 3 1HA GLY 3 13.471 5.153 -0.606 21 2HA GLY 3 2HA GLY 3 12.419 6.035 -1.717 22 H THR 4 H THR 4 13.419 2.666 -1.034 23 HA THR 4 HA THR 4 10.599 1.869 -1.626 24 HB THR 4 HB THR 4 13.009 0.955 -2.778 25 HG1 THR 4 HG1 THR 4 11.611 -0.096 -4.027 26 1HG2 THR 4 1HG2 THR 4 13.243 -0.480 -0.704 27 2HG2 THR 4 2HG2 THR 4 11.742 -1.278 -1.171 28 3HG2 THR 4 3HG2 THR 4 13.157 -1.382 -2.217 29 H ILE 5 H ILE 5 13.389 1.375 0.499 30 HA ILE 5 HA ILE 5 12.302 -0.581 2.223 31 HB ILE 5 HB ILE 5 14.143 1.745 2.853 32 1HG1 ILE 5 1HG1 ILE 5 14.962 0.096 1.175 33 2HG1 ILE 5 2HG1 ILE 5 15.901 0.043 2.667 34 1HG2 ILE 5 1HG2 ILE 5 12.778 -0.019 4.622 35 2HG2 ILE 5 2HG2 ILE 5 14.470 -0.516 4.588 36 3HG2 ILE 5 3HG2 ILE 5 14.046 1.141 5.017 37 1HD1 ILE 5 1HD1 ILE 5 14.339 -1.829 3.425 38 2HD1 ILE 5 2HD1 ILE 5 13.750 -1.881 1.763 39 3HD1 ILE 5 3HD1 ILE 5 15.442 -2.235 2.110 40 H LYS 6 H LYS 6 12.038 2.974 2.400 41 HA LYS 6 HA LYS 6 10.441 3.053 4.762 42 1HB LYS 6 1HB LYS 6 9.929 5.318 4.159 43 2HB LYS 6 2HB LYS 6 11.575 5.019 3.599 44 1HG LYS 6 1HG LYS 6 10.733 4.554 1.334 45 2HG LYS 6 2HG LYS 6 9.080 4.829 1.885 46 1HD LYS 6 1HD LYS 6 11.222 6.930 2.220 47 2HD LYS 6 2HD LYS 6 10.280 6.803 0.735 48 1HE LYS 6 1HE LYS 6 8.569 6.695 3.103 49 2HE LYS 6 2HE LYS 6 9.506 8.201 3.020 50 1HZ LYS 6 1HZ LYS 6 8.082 7.041 0.691 51 2HZ LYS 6 2HZ LYS 6 7.387 8.209 1.705 52 3HZ LYS 6 3HZ LYS 6 8.783 8.584 0.813 53 H GLU 7 H GLU 7 9.596 2.628 1.354 54 HA GLU 7 HA GLU 7 6.739 2.800 1.768 55 1HB GLU 7 1HB GLU 7 8.258 1.360 -0.431 56 2HB GLU 7 2HB GLU 7 6.566 1.854 -0.478 57 1HG GLU 7 1HG GLU 7 8.190 4.121 0.226 58 2HG GLU 7 2HG GLU 7 8.832 3.382 -1.241 59 H ASN 8 H ASN 8 8.977 0.039 1.367 60 HA ASN 8 HA ASN 8 7.184 -2.071 1.665 61 1HB ASN 8 1HB ASN 8 9.468 -2.584 1.240 62 2HB ASN 8 2HB ASN 8 9.983 -1.746 2.696 63 1HD2 ASN 8 2HD2 ASN 8 8.077 -4.593 1.627 64 2HD2 ASN 8 1HD2 ASN 8 8.352 -5.499 3.036 65 H ILE 9 H ILE 9 8.147 0.278 4.030 66 HA ILE 9 HA ILE 9 7.065 -1.322 6.271 67 HB ILE 9 HB ILE 9 8.196 1.485 6.237 68 1HG1 ILE 9 1HG1 ILE 9 9.417 -1.223 6.827 69 2HG1 ILE 9 2HG1 ILE 9 9.911 -0.076 5.581 70 1HG2 ILE 9 1HG2 ILE 9 6.692 0.130 8.193 71 2HG2 ILE 9 2HG2 ILE 9 8.368 0.000 8.724 72 3HG2 ILE 9 3HG2 ILE 9 7.659 1.587 8.426 73 1HD1 ILE 9 1HD1 ILE 9 10.052 1.485 7.809 74 2HD1 ILE 9 2HD1 ILE 9 10.499 -0.087 8.471 75 3HD1 ILE 9 3HD1 ILE 9 11.421 0.602 7.135 76 H ILE 10 H ILE 10 5.956 0.942 3.975 77 HA ILE 10 HA ILE 10 3.571 1.511 5.700 78 HB ILE 10 HB ILE 10 5.279 3.400 4.681 79 1HG1 ILE 10 1HG1 ILE 10 3.657 3.946 6.337 80 2HG1 ILE 10 2HG1 ILE 10 3.273 4.969 4.951 81 1HG2 ILE 10 1HG2 ILE 10 3.026 3.065 2.681 82 2HG2 ILE 10 2HG2 ILE 10 4.017 4.518 2.819 83 3HG2 ILE 10 3HG2 ILE 10 4.758 2.987 2.355 84 1HD1 ILE 10 1HD1 ILE 10 1.777 2.818 4.321 85 2HD1 ILE 10 2HD1 ILE 10 1.771 2.662 6.079 86 3HD1 ILE 10 3HD1 ILE 10 1.168 4.137 5.323 87 H PHE 11 H PHE 11 4.692 1.116 2.362 88 HA PHE 11 HA PHE 11 2.324 0.808 0.978 89 1HB PHE 11 1HB PHE 11 4.134 0.559 -0.411 90 2HB PHE 11 2HB PHE 11 5.070 -0.309 0.796 91 HD1 PHE 11 HD1 PHE 11 1.728 -0.965 -0.758 92 HD2 PHE 11 HD2 PHE 11 5.727 -2.360 -0.055 93 HE1 PHE 11 HE1 PHE 11 1.169 -3.115 -1.871 94 HE2 PHE 11 HE2 PHE 11 5.173 -4.512 -1.166 95 HZ PHE 11 HZ PHE 11 2.894 -4.890 -2.073 96 H GLY 12 H GLY 12 3.872 -1.474 3.193 97 1HA GLY 12 1HA GLY 12 2.020 -3.646 2.687 98 2HA GLY 12 2HA GLY 12 3.095 -3.516 4.083 99 H VAL 13 H VAL 13 2.343 -1.342 5.409 100 HA VAL 13 HA VAL 13 -0.092 -2.038 6.707 101 HB VAL 13 HB VAL 13 1.452 0.573 6.608 102 1HG1 VAL 13 1HG1 VAL 13 -1.025 -0.222 8.131 103 2HG1 VAL 13 2HG1 VAL 13 0.091 0.981 8.777 104 3HG1 VAL 13 3HG1 VAL 13 -0.714 1.263 7.233 105 1HG2 VAL 13 1HG2 VAL 13 1.598 -1.926 8.154 106 2HG2 VAL 13 2HG2 VAL 13 2.820 -0.676 7.923 107 3HG2 VAL 13 3HG2 VAL 13 1.576 -0.475 9.157 108 H SER 14 H SER 14 0.637 0.472 4.282 109 HA SER 14 HA SER 14 -2.033 1.458 4.020 110 1HB SER 14 1HB SER 14 0.416 2.094 2.906 111 2HB SER 14 2HB SER 14 -0.448 1.402 1.536 112 HG SER 14 HG SER 14 -0.676 3.798 2.277 113 H TYR 15 H TYR 15 -0.418 -1.396 2.893 114 HA TYR 15 HA TYR 15 -2.118 -2.121 0.718 115 1HB TYR 15 1HB TYR 15 0.089 -3.221 1.629 116 2HB TYR 15 2HB TYR 15 -1.009 -4.158 2.635 117 HD1 TYR 15 HD1 TYR 15 -0.629 -3.062 -0.937 118 HD2 TYR 15 HD2 TYR 15 -1.881 -6.139 1.786 119 HE1 TYR 15 HE1 TYR 15 -1.132 -4.553 -2.852 120 HE2 TYR 15 HE2 TYR 15 -2.386 -7.630 -0.130 121 HH TYR 15 HH TYR 15 -2.992 -7.284 -2.615 122 H ASP 16 H ASP 16 -2.190 -3.214 4.118 123 HA ASP 16 HA ASP 16 -4.581 -4.645 4.099 124 1HB ASP 16 1HB ASP 16 -3.406 -2.810 6.193 125 2HB ASP 16 2HB ASP 16 -4.904 -3.696 6.482 126 H GLU 17 H GLU 17 -4.102 -1.197 3.841 127 HA GLU 17 HA GLU 17 -7.023 -0.697 4.011 128 1HB GLU 17 1HB GLU 17 -5.001 0.803 4.948 129 2HB GLU 17 2HB GLU 17 -5.089 1.470 3.317 130 1HG GLU 17 1HG GLU 17 -7.370 1.279 5.306 131 2HG GLU 17 2HG GLU 17 -6.553 2.755 4.789 132 H TYR 18 H TYR 18 -4.404 -0.991 1.734 133 HA TYR 18 HA TYR 18 -5.824 0.245 -0.491 134 1HB TYR 18 1HB TYR 18 -3.255 -0.109 -0.196 135 2HB TYR 18 2HB TYR 18 -3.575 -1.742 -0.786 136 HD1 TYR 18 HD1 TYR 18 -4.839 -1.998 -3.008 137 HD2 TYR 18 HD2 TYR 18 -3.102 1.706 -1.697 138 HE1 TYR 18 HE1 TYR 18 -4.904 -1.142 -5.336 139 HE2 TYR 18 HE2 TYR 18 -3.168 2.562 -4.023 140 HH TYR 18 HH TYR 18 -4.146 2.199 -6.086 141 H ARG 19 H ARG 19 -5.248 -3.069 0.668 142 HA ARG 19 HA ARG 19 -6.329 -4.583 -1.401 143 1HB ARG 19 1HB ARG 19 -5.986 -4.904 1.466 144 2HB ARG 19 2HB ARG 19 -7.487 -5.661 0.930 145 1HG ARG 19 1HG ARG 19 -5.745 -6.426 -1.048 146 2HG ARG 19 2HG ARG 19 -4.696 -6.422 0.370 147 1HD ARG 19 1HD ARG 19 -5.556 -8.537 0.617 148 2HD ARG 19 2HD ARG 19 -6.841 -7.649 1.436 149 HE ARG 19 HE ARG 19 -8.266 -8.326 -0.303 150 1HH1 ARG 19 1HH1 ARG 19 -5.082 -9.179 -1.084 151 2HH1 ARG 19 2HH1 ARG 19 -5.374 -9.356 -2.782 152 1HH2 ARG 19 1HH2 ARG 19 -8.619 -8.145 -2.620 153 2HH2 ARG 19 2HH2 ARG 19 -7.375 -8.767 -3.652 154 H TYR 20 H TYR 20 -8.011 -2.633 1.016 155 HA TYR 20 HA TYR 20 -10.679 -3.416 0.231 156 1HB TYR 20 1HB TYR 20 -10.542 -2.413 2.361 157 2HB TYR 20 2HB TYR 20 -9.505 -1.111 1.784 158 HD1 TYR 20 HD1 TYR 20 -10.495 0.613 0.178 159 HD2 TYR 20 HD2 TYR 20 -12.896 -2.169 2.402 160 HE1 TYR 20 HE1 TYR 20 -12.490 2.038 -0.192 161 HE2 TYR 20 HE2 TYR 20 -14.891 -0.743 2.032 162 HH TYR 20 HH TYR 20 -15.662 0.962 0.450 163 H ARG 21 H ARG 21 -8.536 -0.722 -0.665 164 HA ARG 21 HA ARG 21 -10.412 0.551 -2.441 165 1HB ARG 21 1HB ARG 21 -7.617 0.862 -1.669 166 2HB ARG 21 2HB ARG 21 -7.854 1.143 -3.395 167 1HG ARG 21 1HG ARG 21 -9.704 2.707 -2.864 168 2HG ARG 21 2HG ARG 21 -9.387 2.473 -1.145 169 1HD ARG 21 1HD ARG 21 -7.248 3.496 -1.287 170 2HD ARG 21 2HD ARG 21 -7.223 3.384 -3.047 171 HE ARG 21 HE ARG 21 -8.396 5.421 -3.105 172 1HH1 ARG 21 1HH2 ARG 21 -7.472 6.016 -0.309 173 2HH1 ARG 21 2HH2 ARG 21 -8.969 6.338 0.502 174 1HH2 ARG 21 1HH1 ARG 21 -10.926 4.891 -1.968 175 2HH2 ARG 21 2HH1 ARG 21 -10.923 5.698 -0.435 176 H SER 22 H SER 22 -8.190 -2.115 -2.765 177 HA SER 22 HA SER 22 -8.271 -2.149 -5.685 178 1HB SER 22 1HB SER 22 -6.382 -3.060 -4.216 179 2HB SER 22 2HB SER 22 -7.443 -4.422 -3.871 180 HG SER 22 HG SER 22 -7.130 -5.150 -5.829 181 H VAL 23 H VAL 23 -9.773 -4.065 -3.067 182 HA VAL 23 HA VAL 23 -11.146 -5.916 -4.718 183 HB VAL 23 HB VAL 23 -12.123 -4.740 -2.099 184 1HG1 VAL 23 1HG1 VAL 23 -12.716 -7.321 -3.575 185 2HG1 VAL 23 2HG1 VAL 23 -13.202 -7.007 -1.909 186 3HG1 VAL 23 3HG1 VAL 23 -13.851 -6.020 -3.218 187 1HG2 VAL 23 1HG2 VAL 23 -9.756 -6.184 -2.645 188 2HG2 VAL 23 2HG2 VAL 23 -10.465 -5.859 -1.063 189 3HG2 VAL 23 3HG2 VAL 23 -10.876 -7.341 -1.925 190 H ILE 24 H ILE 24 -12.204 -2.726 -3.511 191 HA ILE 24 HA ILE 24 -14.612 -2.903 -5.231 192 HB ILE 24 HB ILE 24 -13.700 -0.830 -3.215 193 1HG1 ILE 24 1HG1 ILE 24 -15.817 -1.709 -2.061 194 2HG1 ILE 24 2HG1 ILE 24 -15.768 -3.041 -3.216 195 1HG2 ILE 24 1HG2 ILE 24 -15.968 -0.908 -5.172 196 2HG2 ILE 24 2HG2 ILE 24 -16.249 -0.194 -3.583 197 3HG2 ILE 24 3HG2 ILE 24 -14.998 0.466 -4.637 198 1HD1 ILE 24 1HD1 ILE 24 -13.248 -2.393 -1.752 199 2HD1 ILE 24 2HD1 ILE 24 -14.532 -3.197 -0.849 200 3HD1 ILE 24 3HD1 ILE 24 -13.861 -3.955 -2.294 201 H LYS 25 H LYS 25 -11.427 -1.716 -5.368 202 HA LYS 25 HA LYS 25 -10.368 -0.150 -6.781 203 1HB LYS 25 1HB LYS 25 -10.701 -1.922 -8.360 204 2HB LYS 25 2HB LYS 25 -12.407 -1.515 -8.549 205 1HG LYS 25 1HG LYS 25 -11.909 -0.053 -10.184 206 2HG LYS 25 2HG LYS 25 -10.819 0.817 -9.103 207 1HD LYS 25 1HD LYS 25 -9.230 0.129 -10.596 208 2HD LYS 25 2HD LYS 25 -9.297 -1.360 -9.653 209 1HE LYS 25 1HE LYS 25 -9.877 -2.430 -11.570 210 2HE LYS 25 2HE LYS 25 -11.420 -1.553 -11.509 211 1HZ LYS 25 1HZ LYS 25 -10.041 0.387 -12.440 212 2HZ LYS 25 2HZ LYS 25 -8.927 -0.809 -12.903 213 3HZ LYS 25 3HZ LYS 25 -10.511 -0.848 -13.507 214 H ALA 26 H ALA 26 -11.177 1.770 -5.673 215 HA ALA 26 HA ALA 26 -12.081 3.940 -5.838 216 1HB ALA 26 1HB ALA 26 -12.182 2.947 -8.500 217 2HB ALA 26 2HB ALA 26 -13.747 3.690 -8.167 218 3HB ALA 26 3HB ALA 26 -12.266 4.629 -7.972
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