NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610739 | 2n9w | 18562 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -8.814 4.803 12.610 2 H2 MET 1 HT2 MET 1 -8.207 3.918 13.928 3 H3 MET 1 HT3 MET 1 -8.673 3.116 12.505 4 HA MET 1 HA MET 1 -6.395 3.156 12.288 5 HB2 MET 1 HB2 MET 1 -7.557 4.167 10.324 6 HB3 MET 1 HB1 MET 1 -7.317 5.762 11.039 7 HG2 MET 1 HG2 MET 1 -4.892 5.470 10.968 8 HG3 MET 1 HG1 MET 1 -5.084 3.827 10.356 9 HE1 MET 1 HE1 MET 1 -5.656 7.451 10.006 10 HE2 MET 1 HE2 MET 1 -7.187 7.176 9.179 11 HE3 MET 1 HE3 MET 1 -5.811 7.812 8.282 12 H GLY 2 HN GLY 2 -7.690 6.045 13.795 13 HA2 GLY 2 HA2 GLY 2 -5.264 7.380 14.349 14 HA3 GLY 2 HA1 GLY 2 -6.770 7.580 15.242 15 H GLN 3 HN GLN 3 -7.071 4.898 16.128 16 HA GLN 3 HA GLN 3 -4.672 4.132 17.563 17 HB2 GLN 3 HB2 GLN 3 -5.565 6.012 18.932 18 HB3 GLN 3 HB1 GLN 3 -7.073 5.116 19.122 19 HG2 GLN 3 HG2 GLN 3 -5.898 3.286 20.221 20 HG3 GLN 3 HG1 GLN 3 -4.347 4.076 19.941 21 HE21 GLN 3 HE21 GLN 3 -5.153 3.457 22.590 22 HE22 GLN 3 HE22 GLN 3 -5.486 4.903 23.414 23 H ILE 4 HN ILE 4 -8.212 3.820 17.966 24 HA ILE 4 HA ILE 4 -7.929 0.925 18.231 25 HB ILE 4 HB ILE 4 -10.332 2.668 18.499 26 HG12 ILE 4 HG12 ILE 4 -8.366 2.884 20.209 27 HG13 ILE 4 HG11 ILE 4 -10.005 2.702 20.823 28 HG21 ILE 4 HG21 ILE 4 -11.168 0.553 19.730 29 HG22 ILE 4 HG22 ILE 4 -9.859 -0.278 18.886 30 HG23 ILE 4 HG23 ILE 4 -11.134 0.526 17.968 31 HD11 ILE 4 HD11 ILE 4 -8.121 1.219 21.848 32 HD12 ILE 4 HD12 ILE 4 -8.280 0.266 20.375 33 HD13 ILE 4 HD13 ILE 4 -9.662 0.461 21.449 34 H PHE 5 HN PHE 5 -8.572 -0.540 16.743 35 HA PHE 5 HA PHE 5 -8.957 0.271 14.075 36 HB2 PHE 5 HB2 PHE 5 -8.535 -2.177 15.456 37 HB3 PHE 5 HB1 PHE 5 -10.042 -2.411 14.591 38 HD1 PHE 5 HD1 PHE 5 -6.830 -0.570 13.765 39 HD2 PHE 5 HD2 PHE 5 -9.716 -3.524 12.570 40 HE1 PHE 5 HE1 PHE 5 -5.613 -0.902 11.637 41 HE2 PHE 5 HE2 PHE 5 -8.490 -3.848 10.439 42 HZ PHE 5 HZ PHE 5 -6.443 -2.539 9.975 43 H THR 6 HN THR 6 -10.661 0.835 12.935 44 HA THR 6 HA THR 6 -13.226 1.132 14.240 45 HB THR 6 HB THR 6 -12.603 1.630 11.330 46 HG1 THR 6 HG1 THR 6 -11.910 3.643 11.943 47 HG21 THR 6 HG21 THR 6 -14.497 3.053 13.209 48 HG22 THR 6 HG22 THR 6 -14.984 1.676 12.221 49 HG23 THR 6 HG23 THR 6 -14.436 3.165 11.451 50 H VAL 7 HN VAL 7 -15.123 0.080 13.697 51 HA VAL 7 HA VAL 7 -14.920 -2.616 12.922 52 HB VAL 7 HB VAL 7 -17.283 -0.741 13.124 53 HG11 VAL 7 HG11 VAL 7 -17.135 -3.672 12.421 54 HG12 VAL 7 HG12 VAL 7 -18.066 -2.397 11.637 55 HG13 VAL 7 HG13 VAL 7 -18.561 -3.002 13.217 56 HG21 VAL 7 HG21 VAL 7 -16.246 -1.188 15.257 57 HG22 VAL 7 HG22 VAL 7 -16.116 -2.910 14.898 58 HG23 VAL 7 HG23 VAL 7 -17.699 -2.183 15.170 59 H GLN 8 HN GLN 8 -16.083 0.237 11.140 60 HA GLN 8 HA GLN 8 -16.797 -1.107 8.775 61 HB2 GLN 8 HB2 GLN 8 -17.392 1.265 9.398 62 HB3 GLN 8 HB1 GLN 8 -15.748 1.722 8.953 63 HG2 GLN 8 HG2 GLN 8 -17.135 2.103 7.022 64 HG3 GLN 8 HG1 GLN 8 -16.166 0.668 6.692 65 HE21 GLN 8 HE21 GLN 8 -17.404 -0.942 5.739 66 HE22 GLN 8 HE22 GLN 8 -19.036 -1.253 6.088 67 H GLU 9 HN GLU 9 -13.726 0.330 9.808 68 HA GLU 9 HA GLU 9 -12.364 -0.034 7.347 69 HB2 GLU 9 HB2 GLU 9 -11.626 1.486 9.198 70 HB3 GLU 9 HB1 GLU 9 -11.164 0.058 10.123 71 HG2 GLU 9 HG2 GLU 9 -9.181 0.854 9.018 72 HG3 GLU 9 HG1 GLU 9 -9.685 -0.608 8.174 73 H LEU 10 HN LEU 10 -12.807 -2.080 10.187 74 HA LEU 10 HA LEU 10 -10.926 -4.065 9.487 75 HB2 LEU 10 HB2 LEU 10 -11.856 -3.902 11.748 76 HB3 LEU 10 HB1 LEU 10 -13.457 -4.295 11.133 77 HG LEU 10 HG LEU 10 -12.691 -6.515 10.440 78 HD11 LEU 10 HD11 LEU 10 -10.444 -6.298 9.789 79 HD12 LEU 10 HD12 LEU 10 -10.303 -7.155 11.322 80 HD13 LEU 10 HD13 LEU 10 -10.002 -5.420 11.254 81 HD21 LEU 10 HD21 LEU 10 -13.330 -5.923 12.904 82 HD22 LEU 10 HD22 LEU 10 -11.612 -6.138 13.236 83 HD23 LEU 10 HD23 LEU 10 -12.561 -7.478 12.589 84 H LYS 11 HN LYS 11 -14.342 -3.630 8.702 85 HA LYS 11 HA LYS 11 -14.838 -6.123 7.525 86 HB2 LYS 11 HB2 LYS 11 -16.003 -3.394 6.951 87 HB3 LYS 11 HB1 LYS 11 -16.596 -4.875 6.201 88 HG2 LYS 11 HG2 LYS 11 -17.032 -5.830 8.439 89 HG3 LYS 11 HG1 LYS 11 -16.457 -4.336 9.179 90 HD2 LYS 11 HD2 LYS 11 -18.242 -3.068 8.100 91 HD3 LYS 11 HD1 LYS 11 -18.792 -4.515 7.255 92 HE2 LYS 11 HE2 LYS 11 -19.292 -5.597 9.410 93 HE3 LYS 11 HE1 LYS 11 -18.729 -4.162 10.266 94 HZ1 LYS 11 HZ1 LYS 11 -20.980 -3.803 10.156 95 HZ2 LYS 11 HZ2 LYS 11 -21.141 -4.519 8.624 96 HZ3 LYS 11 HZ3 LYS 11 -20.454 -2.973 8.773 97 H GLU 12 HN GLU 12 -13.361 -3.197 6.202 98 HA GLU 12 HA GLU 12 -13.352 -3.925 3.490 99 HB2 GLU 12 HB2 GLU 12 -12.758 -1.669 4.448 100 HB3 GLU 12 HB1 GLU 12 -11.200 -2.349 4.913 101 HG2 GLU 12 HG2 GLU 12 -10.876 -1.287 2.787 102 HG3 GLU 12 HG1 GLU 12 -10.889 -3.023 2.484 103 H ARG 13 HN ARG 13 -10.721 -4.288 5.896 104 HA ARG 13 HA ARG 13 -9.111 -5.883 4.155 105 HB2 ARG 13 HB2 ARG 13 -9.010 -5.397 7.135 106 HB3 ARG 13 HB1 ARG 13 -7.826 -6.381 6.273 107 HG2 ARG 13 HG2 ARG 13 -7.270 -4.474 4.826 108 HG3 ARG 13 HG1 ARG 13 -8.474 -3.484 5.650 109 HD2 ARG 13 HD2 ARG 13 -6.287 -2.988 6.587 110 HD3 ARG 13 HD1 ARG 13 -7.239 -3.850 7.793 111 HE ARG 13 HE ARG 13 -5.728 -5.705 6.270 112 HH11 ARG 13 HH21 ARG 13 -5.426 -3.213 8.650 113 HH12 ARG 13 HH22 ARG 13 -4.009 -3.890 9.380 114 HH21 ARG 13 HH11 ARG 13 -3.868 -6.594 7.214 115 HH22 ARG 13 HH12 ARG 13 -3.125 -5.805 8.566 116 H ALA 14 HN ALA 14 -11.433 -6.585 6.709 117 HA ALA 14 HA ALA 14 -10.922 -9.398 6.781 118 HB1 ALA 14 HB1 ALA 14 -11.992 -8.015 8.623 119 HB2 ALA 14 HB2 ALA 14 -12.800 -9.535 8.242 120 HB3 ALA 14 HB3 ALA 14 -13.460 -8.013 7.647 121 H LYS 15 HN LYS 15 -12.430 -7.425 4.516 122 HA LYS 15 HA LYS 15 -14.629 -8.946 3.674 123 HB2 LYS 15 HB2 LYS 15 -14.097 -6.653 2.866 124 HB3 LYS 15 HB1 LYS 15 -12.755 -7.320 1.939 125 HG2 LYS 15 HG2 LYS 15 -14.303 -8.725 0.667 126 HG3 LYS 15 HG1 LYS 15 -15.657 -8.125 1.627 127 HD2 LYS 15 HD2 LYS 15 -15.199 -5.830 0.833 128 HD3 LYS 15 HD1 LYS 15 -13.859 -6.439 -0.140 129 HE2 LYS 15 HE2 LYS 15 -15.406 -7.868 -1.399 130 HE3 LYS 15 HE1 LYS 15 -16.750 -7.287 -0.418 131 HZ1 LYS 15 HZ1 LYS 15 -15.523 -6.075 -2.673 132 HZ2 LYS 15 HZ2 LYS 15 -15.470 -5.031 -1.333 133 HZ3 LYS 15 HZ3 LYS 15 -16.958 -5.647 -1.875 134 H VAL 16 HN VAL 16 -11.213 -9.097 2.696 135 HA VAL 16 HA VAL 16 -10.061 -10.641 1.426 136 HB VAL 16 HB VAL 16 -11.867 -12.466 3.032 137 HG11 VAL 16 HG11 VAL 16 -10.921 -13.767 1.261 138 HG12 VAL 16 HG12 VAL 16 -9.907 -14.065 2.673 139 HG13 VAL 16 HG13 VAL 16 -9.359 -12.962 1.411 140 HG21 VAL 16 HG21 VAL 16 -10.431 -10.839 4.313 141 HG22 VAL 16 HG22 VAL 16 -9.018 -11.557 3.540 142 HG23 VAL 16 HG23 VAL 16 -10.025 -12.529 4.612 143 H PHE 17 HN PHE 17 -12.920 -12.681 1.573 144 HA PHE 17 HA PHE 17 -13.464 -12.180 -1.297 145 HB2 PHE 17 HB2 PHE 17 -12.071 -14.234 -1.045 146 HB3 PHE 17 HB1 PHE 17 -13.320 -14.916 -0.002 147 HD1 PHE 17 HD1 PHE 17 -12.747 -13.494 -3.406 148 HD2 PHE 17 HD2 PHE 17 -15.211 -15.999 -0.935 149 HE1 PHE 17 HE1 PHE 17 -14.003 -14.234 -5.411 150 HE2 PHE 17 HE2 PHE 17 -16.467 -16.739 -2.943 151 HZ PHE 17 HZ PHE 17 -15.863 -15.857 -5.180 152 H ALA 18 HN ALA 18 -15.616 -12.254 -1.861 153 HA ALA 18 HA ALA 18 -17.614 -11.668 -0.078 154 HB1 ALA 18 HB1 ALA 18 -17.771 -11.617 -2.599 155 HB2 ALA 18 HB2 ALA 18 -19.196 -12.273 -1.792 156 HB3 ALA 18 HB3 ALA 18 -18.033 -13.360 -2.552 157 H LYS 19 HN LYS 19 -18.189 -12.777 1.714 158 HA LYS 19 HA LYS 19 -18.664 -15.681 1.469 159 HB2 LYS 19 HB2 LYS 19 -17.076 -14.221 3.571 160 HB3 LYS 19 HB1 LYS 19 -17.792 -15.801 3.898 161 HG2 LYS 19 HG2 LYS 19 -16.137 -15.420 1.405 162 HG3 LYS 19 HG1 LYS 19 -15.322 -15.631 2.953 163 HD2 LYS 19 HD2 LYS 19 -17.516 -17.556 2.207 164 HD3 LYS 19 HD1 LYS 19 -15.929 -17.743 1.461 165 HE2 LYS 19 HE2 LYS 19 -14.866 -18.111 3.537 166 HE3 LYS 19 HE1 LYS 19 -16.223 -17.449 4.449 167 HZ1 LYS 19 HZ1 LYS 19 -17.401 -19.441 3.116 168 HZ2 LYS 19 HZ2 LYS 19 -16.768 -19.593 4.685 169 HZ3 LYS 19 HZ3 LYS 19 -15.854 -20.098 3.345 170 HA PRO 20 HA PRO 20 -22.626 -14.930 3.347 171 HB2 PRO 20 HB2 PRO 20 -22.045 -17.111 5.315 172 HB3 PRO 20 HB1 PRO 20 -23.425 -16.924 4.215 173 HG2 PRO 20 HG2 PRO 20 -21.473 -18.692 3.743 174 HG3 PRO 20 HG1 PRO 20 -22.293 -17.827 2.430 175 HD2 PRO 20 HD2 PRO 20 -19.541 -17.399 3.535 176 HD3 PRO 20 HD1 PRO 20 -20.158 -17.168 1.885 177 H ILE 21 HN ILE 21 -23.530 -13.810 5.070 178 HA ILE 21 HA ILE 21 -21.682 -12.564 6.906 179 HB ILE 21 HB ILE 21 -24.685 -12.319 6.611 180 HG12 ILE 21 HG12 ILE 21 -22.493 -10.394 5.786 181 HG13 ILE 21 HG11 ILE 21 -23.206 -11.574 4.679 182 HG21 ILE 21 HG21 ILE 21 -24.264 -10.172 7.908 183 HG22 ILE 21 HG22 ILE 21 -22.661 -10.805 8.279 184 HG23 ILE 21 HG23 ILE 21 -24.097 -11.657 8.843 185 HD11 ILE 21 HD11 ILE 21 -24.706 -9.401 6.176 186 HD12 ILE 21 HD12 ILE 21 -25.448 -10.609 5.126 187 HD13 ILE 21 HD13 ILE 21 -24.344 -9.411 4.449 188 H GLY 22 HN GLY 22 -21.303 -13.122 8.963 189 HA2 GLY 22 HA2 GLY 22 -22.360 -15.548 10.036 190 HA3 GLY 22 HA1 GLY 22 -21.312 -14.410 10.873 191 H ALA 23 HN ALA 23 -22.951 -12.111 10.662 192 HA ALA 23 HA ALA 23 -24.787 -11.067 11.576 193 HB1 ALA 23 HB1 ALA 23 -26.824 -12.173 11.726 194 HB2 ALA 23 HB2 ALA 23 -26.093 -13.678 12.283 195 HB3 ALA 23 HB3 ALA 23 -25.971 -13.214 10.588 196 H SER 24 HN SER 24 -24.490 -14.111 13.426 197 HA SER 24 HA SER 24 -24.601 -12.695 15.938 198 HB2 SER 24 HB2 SER 24 -25.574 -14.958 15.642 199 HB3 SER 24 HB1 SER 24 -23.954 -15.599 15.381 200 HG SER 24 HG SER 24 -23.534 -14.476 17.512 201 H TYR 25 HN TYR 25 -22.139 -13.705 13.772 202 HA TYR 25 HA TYR 25 -19.997 -13.872 15.677 203 HB2 TYR 25 HB2 TYR 25 -20.038 -13.624 12.666 204 HB3 TYR 25 HB1 TYR 25 -18.558 -13.791 13.611 205 HD1 TYR 25 HD2 TYR 25 -21.843 -15.428 12.902 206 HD2 TYR 25 HD1 TYR 25 -17.840 -15.914 14.386 207 HE1 TYR 25 HE2 TYR 25 -22.175 -17.883 12.998 208 HE2 TYR 25 HE1 TYR 25 -18.176 -18.370 14.485 209 HH TYR 25 HH TYR 25 -20.838 -19.855 14.621 210 H GLN 26 HN GLN 26 -21.671 -11.320 14.156 211 HA GLN 26 HA GLN 26 -19.724 -9.354 13.833 212 HB2 GLN 26 HB2 GLN 26 -21.512 -7.767 13.902 213 HB3 GLN 26 HB1 GLN 26 -22.178 -9.237 13.188 214 HG2 GLN 26 HG2 GLN 26 -22.913 -9.874 15.563 215 HG3 GLN 26 HG1 GLN 26 -22.541 -8.210 16.008 216 HE21 GLN 26 HE21 GLN 26 -23.431 -7.603 13.009 217 HE22 GLN 26 HE22 GLN 26 -25.117 -7.490 13.164 218 H GLY 27 HN GLY 27 -20.829 -10.842 16.701 219 HA2 GLY 27 HA2 GLY 27 -20.610 -8.846 18.627 220 HA3 GLY 27 HA1 GLY 27 -20.241 -10.545 18.909 221 H ILE 28 HN ILE 28 -18.140 -10.397 16.747 222 HA ILE 28 HA ILE 28 -15.918 -9.807 18.439 223 HB ILE 28 HB ILE 28 -15.893 -11.524 16.621 224 HG12 ILE 28 HG12 ILE 28 -13.789 -9.383 16.213 225 HG13 ILE 28 HG11 ILE 28 -13.817 -10.447 17.619 226 HG21 ILE 28 HG21 ILE 28 -15.545 -9.182 14.746 227 HG22 ILE 28 HG22 ILE 28 -17.101 -9.975 14.987 228 HG23 ILE 28 HG23 ILE 28 -15.740 -10.884 14.331 229 HD11 ILE 28 HD11 ILE 28 -13.538 -11.263 14.714 230 HD12 ILE 28 HD12 ILE 28 -13.809 -12.410 16.026 231 HD13 ILE 28 HD13 ILE 28 -12.336 -11.441 15.992 232 H LEU 29 HN LEU 29 -17.800 -7.962 16.210 233 HA LEU 29 HA LEU 29 -15.788 -5.853 15.902 234 HB2 LEU 29 HB2 LEU 29 -18.685 -5.893 15.015 235 HB3 LEU 29 HB1 LEU 29 -17.414 -4.818 14.440 236 HG LEU 29 HG LEU 29 -17.356 -7.829 14.115 237 HD11 LEU 29 HD11 LEU 29 -17.914 -5.806 11.944 238 HD12 LEU 29 HD12 LEU 29 -19.210 -6.578 12.855 239 HD13 LEU 29 HD13 LEU 29 -18.113 -7.555 11.880 240 HD21 LEU 29 HD21 LEU 29 -15.638 -7.116 12.325 241 HD22 LEU 29 HD22 LEU 29 -15.131 -6.999 14.007 242 HD23 LEU 29 HD23 LEU 29 -15.629 -5.550 13.136 243 H ASP 30 HN ASP 30 -18.721 -6.538 17.712 244 HA ASP 30 HA ASP 30 -19.277 -3.911 18.595 245 HB2 ASP 30 HB2 ASP 30 -19.867 -6.613 19.815 246 HB3 ASP 30 HB1 ASP 30 -20.459 -5.095 20.489 247 H GLN 31 HN GLN 31 -16.909 -6.263 19.548 248 HA GLN 31 HA GLN 31 -16.303 -5.324 22.143 249 HB2 GLN 31 HB2 GLN 31 -14.566 -6.728 20.110 250 HB3 GLN 31 HB1 GLN 31 -14.131 -6.490 21.811 251 HG2 GLN 31 HG2 GLN 31 -15.954 -7.780 22.565 252 HG3 GLN 31 HG1 GLN 31 -16.732 -7.781 20.986 253 HE21 GLN 31 HE21 GLN 31 -16.564 -10.291 21.575 254 HE22 GLN 31 HE22 GLN 31 -15.165 -11.070 21.011 255 H LEU 32 HN LEU 32 -15.159 -4.394 18.946 256 HA LEU 32 HA LEU 32 -13.065 -2.719 19.799 257 HB2 LEU 32 HB2 LEU 32 -14.782 -2.878 17.322 258 HB3 LEU 32 HB1 LEU 32 -13.618 -1.568 17.510 259 HG LEU 32 HG LEU 32 -11.796 -3.135 17.726 260 HD11 LEU 32 HD11 LEU 32 -12.292 -5.627 17.431 261 HD12 LEU 32 HD12 LEU 32 -13.976 -5.222 17.771 262 HD13 LEU 32 HD13 LEU 32 -12.735 -4.929 18.989 263 HD21 LEU 32 HD21 LEU 32 -13.494 -4.203 15.475 264 HD22 LEU 32 HD22 LEU 32 -11.735 -4.045 15.525 265 HD23 LEU 32 HD23 LEU 32 -12.752 -2.604 15.417 266 H ASP 33 HN ASP 33 -16.470 -1.987 19.021 267 HA ASP 33 HA ASP 33 -16.267 0.748 19.875 268 HB2 ASP 33 HB2 ASP 33 -18.632 -1.014 19.228 269 HB3 ASP 33 HB1 ASP 33 -18.783 0.677 19.705 270 H LEU 34 HN LEU 34 -17.421 -2.246 21.378 271 HA LEU 34 HA LEU 34 -18.627 -1.090 23.636 272 HB2 LEU 34 HB2 LEU 34 -18.937 -3.461 22.921 273 HB3 LEU 34 HB1 LEU 34 -17.306 -3.800 23.487 274 HG LEU 34 HG LEU 34 -17.961 -3.066 25.770 275 HD11 LEU 34 HD11 LEU 34 -20.540 -2.487 24.337 276 HD12 LEU 34 HD12 LEU 34 -19.735 -1.572 25.612 277 HD13 LEU 34 HD13 LEU 34 -20.622 -3.040 26.011 278 HD21 LEU 34 HD21 LEU 34 -19.068 -5.089 26.330 279 HD22 LEU 34 HD22 LEU 34 -18.233 -5.478 24.827 280 HD23 LEU 34 HD23 LEU 34 -19.960 -5.123 24.810 281 H VAL 35 HN VAL 35 -15.263 -2.155 23.090 282 HA VAL 35 HA VAL 35 -14.175 -1.995 25.574 283 HB VAL 35 HB VAL 35 -13.013 -2.325 23.277 284 HG11 VAL 35 HG11 VAL 35 -12.059 -0.451 22.239 285 HG12 VAL 35 HG12 VAL 35 -12.237 0.564 23.669 286 HG13 VAL 35 HG13 VAL 35 -13.648 0.157 22.696 287 HG21 VAL 35 HG21 VAL 35 -11.846 -0.945 25.711 288 HG22 VAL 35 HG22 VAL 35 -10.835 -1.482 24.379 289 HG23 VAL 35 HG23 VAL 35 -11.788 -2.659 25.303 290 H HIS 36 HN HIS 36 -15.696 0.584 23.920 291 HA HIS 36 HA HIS 36 -14.381 2.723 25.311 292 HB2 HIS 36 HB2 HIS 36 -16.955 2.578 23.730 293 HB3 HIS 36 HB1 HIS 36 -16.308 4.074 24.406 294 HD2 HIS 36 HD2 HIS 36 -14.098 5.144 23.009 295 HE1 HIS 36 HE1 HIS 36 -13.857 2.107 20.087 296 HE2 HIS 36 HE2 HIS 36 -12.973 4.385 20.778 297 H GLN 37 HN GLN 37 -16.693 0.429 26.225 298 HA GLN 37 HA GLN 37 -18.102 2.104 28.133 299 HB2 GLN 37 HB2 GLN 37 -19.300 0.285 27.000 300 HB3 GLN 37 HB1 GLN 37 -18.179 -0.889 27.686 301 HG2 GLN 37 HG2 GLN 37 -18.902 -0.335 29.945 302 HG3 GLN 37 HG1 GLN 37 -19.931 0.959 29.332 303 HE21 GLN 37 HE21 GLN 37 -22.037 0.184 29.694 304 HE22 GLN 37 HE22 GLN 37 -22.599 -1.330 29.172 305 H ALA 38 HN ALA 38 -15.527 -0.381 28.167 306 HA ALA 38 HA ALA 38 -15.415 -0.431 31.048 307 HB1 ALA 38 HB1 ALA 38 -13.640 -1.516 28.863 308 HB2 ALA 38 HB2 ALA 38 -14.683 -2.413 29.964 309 HB3 ALA 38 HB3 ALA 38 -13.219 -1.643 30.570 310 H LYS 39 HN LYS 39 -13.692 0.432 32.326 311 HA LYS 39 HA LYS 39 -11.921 2.415 31.097 312 HB2 LYS 39 HB2 LYS 39 -13.941 3.105 33.245 313 HB3 LYS 39 HB1 LYS 39 -12.576 4.126 32.812 314 HG2 LYS 39 HG2 LYS 39 -14.742 3.265 30.866 315 HG3 LYS 39 HG1 LYS 39 -14.722 4.806 31.716 316 HD2 LYS 39 HD2 LYS 39 -12.344 5.096 30.696 317 HD3 LYS 39 HD1 LYS 39 -12.824 3.816 29.583 318 HE2 LYS 39 HE2 LYS 39 -14.384 6.379 30.021 319 HE3 LYS 39 HE1 LYS 39 -13.288 6.087 28.672 320 HZ1 LYS 39 HZ1 LYS 39 -15.784 5.618 28.374 321 HZ2 LYS 39 HZ2 LYS 39 -15.471 4.195 29.249 322 HZ3 LYS 39 HZ3 LYS 39 -14.667 4.489 27.782 323 H GLY 40 HN GLY 40 -10.245 3.133 32.503 324 HA2 GLY 40 HA2 GLY 40 -8.828 2.978 34.363 325 HA3 GLY 40 HA1 GLY 40 -9.875 1.732 35.040 326 H ARG 41 HN ARG 41 -7.679 0.731 35.424 327 HA ARG 41 HA ARG 41 -6.119 -0.236 33.258 328 HB2 ARG 41 HB2 ARG 41 -5.078 -1.690 34.936 329 HB3 ARG 41 HB1 ARG 41 -5.264 -0.051 35.564 330 HG2 ARG 41 HG2 ARG 41 -7.400 -0.770 36.659 331 HG3 ARG 41 HG1 ARG 41 -7.068 -2.421 36.139 332 HD2 ARG 41 HD2 ARG 41 -5.194 -0.766 37.843 333 HD3 ARG 41 HD1 ARG 41 -6.328 -1.953 38.484 334 HE ARG 41 HE ARG 41 -3.852 -2.507 37.063 335 HH11 ARG 41 HH21 ARG 41 -6.947 -3.643 38.119 336 HH12 ARG 41 HH22 ARG 41 -6.504 -5.317 38.066 337 HH21 ARG 41 HH11 ARG 41 -3.264 -4.700 36.994 338 HH22 ARG 41 HH12 ARG 41 -4.419 -5.915 37.429 339 H ASP 42 HN ASP 42 -9.068 -1.305 34.698 340 HA ASP 42 HA ASP 42 -8.984 -4.050 34.033 341 HB2 ASP 42 HB2 ASP 42 -10.626 -2.935 35.578 342 HB3 ASP 42 HB1 ASP 42 -11.439 -2.297 34.150 343 H GLN 43 HN GLN 43 -9.922 -1.186 32.208 344 HA GLN 43 HA GLN 43 -11.136 -2.516 30.014 345 HB2 GLN 43 HB2 GLN 43 -11.459 -0.123 30.385 346 HB3 GLN 43 HB1 GLN 43 -9.732 0.159 30.179 347 HG2 GLN 43 HG2 GLN 43 -9.840 -0.549 27.849 348 HG3 GLN 43 HG1 GLN 43 -11.532 -1.006 28.032 349 HE21 GLN 43 HE21 GLN 43 -11.362 0.746 26.074 350 HE22 GLN 43 HE22 GLN 43 -11.703 2.337 26.554 351 H ILE 44 HN ILE 44 -7.902 -1.114 30.346 352 HA ILE 44 HA ILE 44 -7.042 -2.234 27.879 353 HB ILE 44 HB ILE 44 -5.380 -1.242 30.188 354 HG12 ILE 44 HG12 ILE 44 -6.193 0.326 27.728 355 HG13 ILE 44 HG11 ILE 44 -7.149 0.369 29.213 356 HG21 ILE 44 HG21 ILE 44 -3.794 -0.741 28.235 357 HG22 ILE 44 HG22 ILE 44 -4.840 -1.778 27.263 358 HG23 ILE 44 HG23 ILE 44 -3.995 -2.439 28.664 359 HD11 ILE 44 HD11 ILE 44 -5.486 2.225 29.084 360 HD12 ILE 44 HD12 ILE 44 -4.195 1.024 29.061 361 HD13 ILE 44 HD13 ILE 44 -5.235 1.174 30.478 362 H ALA 45 HN ALA 45 -6.621 -3.153 31.298 363 HA ALA 45 HA ALA 45 -4.779 -5.198 31.044 364 HB1 ALA 45 HB1 ALA 45 -5.539 -4.532 33.236 365 HB2 ALA 45 HB2 ALA 45 -5.931 -6.239 33.030 366 HB3 ALA 45 HB3 ALA 45 -7.193 -5.017 32.862 367 H ALA 46 HN ALA 46 -8.170 -5.124 30.224 368 HA ALA 46 HA ALA 46 -8.598 -7.874 29.792 369 HB1 ALA 46 HB1 ALA 46 -10.601 -6.722 29.802 370 HB2 ALA 46 HB2 ALA 46 -10.310 -6.853 28.085 371 HB3 ALA 46 HB3 ALA 46 -9.926 -5.366 28.922 372 H SER 47 HN SER 47 -7.053 -5.378 27.948 373 HA SER 47 HA SER 47 -6.999 -6.544 25.440 374 HB2 SER 47 HB2 SER 47 -5.199 -5.146 24.873 375 HB3 SER 47 HB1 SER 47 -6.258 -4.257 25.964 376 HG SER 47 HG SER 47 -4.479 -4.008 27.079 377 H PHE 48 HN PHE 48 -4.990 -7.285 28.219 378 HA PHE 48 HA PHE 48 -3.215 -9.036 26.740 379 HB2 PHE 48 HB2 PHE 48 -3.578 -8.481 29.688 380 HB3 PHE 48 HB1 PHE 48 -2.408 -9.645 29.060 381 HD1 PHE 48 HD1 PHE 48 -0.560 -8.901 27.572 382 HD2 PHE 48 HD2 PHE 48 -3.240 -6.111 29.438 383 HE1 PHE 48 HE1 PHE 48 1.003 -7.049 27.045 384 HE2 PHE 48 HE2 PHE 48 -1.675 -4.259 28.915 385 HZ PHE 48 HZ PHE 48 0.444 -4.728 27.718 386 H GLU 49 HN GLU 49 -6.313 -9.416 28.225 387 HA GLU 49 HA GLU 49 -6.123 -12.119 29.045 388 HB2 GLU 49 HB2 GLU 49 -7.886 -10.486 29.722 389 HB3 GLU 49 HB1 GLU 49 -8.578 -10.635 28.109 390 HG2 GLU 49 HG2 GLU 49 -9.788 -12.138 29.549 391 HG3 GLU 49 HG1 GLU 49 -8.763 -13.128 28.516 392 H LEU 50 HN LEU 50 -7.971 -10.925 26.224 393 HA LEU 50 HA LEU 50 -8.152 -13.510 25.089 394 HB2 LEU 50 HB2 LEU 50 -9.609 -11.341 24.741 395 HB3 LEU 50 HB1 LEU 50 -8.496 -11.087 23.409 396 HG LEU 50 HG LEU 50 -9.066 -13.562 22.782 397 HD11 LEU 50 HD11 LEU 50 -11.023 -14.490 23.632 398 HD12 LEU 50 HD12 LEU 50 -11.724 -12.923 24.034 399 HD13 LEU 50 HD13 LEU 50 -10.464 -13.614 25.058 400 HD21 LEU 50 HD21 LEU 50 -10.858 -11.142 22.384 401 HD22 LEU 50 HD22 LEU 50 -11.192 -12.679 21.584 402 HD23 LEU 50 HD23 LEU 50 -9.688 -11.828 21.261 403 H ASN 51 HN ASN 51 -5.748 -11.083 24.970 404 HA ASN 51 HA ASN 51 -4.508 -11.195 22.577 405 HB2 ASN 51 HB2 ASN 51 -3.594 -9.940 24.458 406 HB3 ASN 51 HB1 ASN 51 -3.193 -11.438 25.292 407 HD21 ASN 51 HD21 ASN 51 -1.032 -9.846 24.950 408 HD22 ASN 51 HD22 ASN 51 -0.052 -10.371 23.668 409 H LYS 52 HN LYS 52 -3.778 -13.532 25.166 410 HA LYS 52 HA LYS 52 -2.232 -15.237 23.507 411 HB2 LYS 52 HB2 LYS 52 -3.621 -15.697 26.142 412 HB3 LYS 52 HB1 LYS 52 -2.560 -16.885 25.384 413 HG2 LYS 52 HG2 LYS 52 -0.719 -15.252 25.359 414 HG3 LYS 52 HG1 LYS 52 -1.767 -14.043 26.098 415 HD2 LYS 52 HD2 LYS 52 -1.233 -16.715 27.409 416 HD3 LYS 52 HD1 LYS 52 -0.185 -15.323 27.671 417 HE2 LYS 52 HE2 LYS 52 -2.276 -14.026 28.353 418 HE3 LYS 52 HE1 LYS 52 -3.124 -15.574 28.359 419 HZ1 LYS 52 HZ1 LYS 52 -1.120 -14.557 30.189 420 HZ2 LYS 52 HZ2 LYS 52 -0.976 -16.199 29.775 421 HZ3 LYS 52 HZ3 LYS 52 -2.413 -15.617 30.470 422 H LYS 53 HN LYS 53 -5.622 -15.315 24.518 423 HA LYS 53 HA LYS 53 -6.295 -17.811 23.397 424 HB2 LYS 53 HB2 LYS 53 -8.048 -15.393 23.849 425 HB3 LYS 53 HB1 LYS 53 -8.620 -17.033 23.570 426 HG2 LYS 53 HG2 LYS 53 -7.486 -17.807 25.594 427 HG3 LYS 53 HG1 LYS 53 -6.844 -16.189 25.874 428 HD2 LYS 53 HD2 LYS 53 -9.190 -15.335 25.993 429 HD3 LYS 53 HD1 LYS 53 -9.767 -16.995 25.868 430 HE2 LYS 53 HE2 LYS 53 -8.608 -17.593 27.914 431 HE3 LYS 53 HE1 LYS 53 -7.883 -15.989 28.006 432 HZ1 LYS 53 HZ1 LYS 53 -10.409 -16.835 28.932 433 HZ2 LYS 53 HZ2 LYS 53 -10.620 -15.627 27.756 434 HZ3 LYS 53 HZ3 LYS 53 -9.658 -15.326 29.122 435 H ILE 54 HN ILE 54 -6.058 -14.596 21.967 436 HA ILE 54 HA ILE 54 -7.518 -15.132 19.603 437 HB ILE 54 HB ILE 54 -5.377 -13.119 20.317 438 HG12 ILE 54 HG12 ILE 54 -8.357 -13.024 19.756 439 HG13 ILE 54 HG11 ILE 54 -7.523 -12.618 21.248 440 HG21 ILE 54 HG21 ILE 54 -6.769 -13.332 17.617 441 HG22 ILE 54 HG22 ILE 54 -5.054 -13.636 17.901 442 HG23 ILE 54 HG23 ILE 54 -5.705 -12.025 18.133 443 HD11 ILE 54 HD11 ILE 54 -8.027 -10.977 18.867 444 HD12 ILE 54 HD12 ILE 54 -6.372 -10.856 19.443 445 HD13 ILE 54 HD13 ILE 54 -7.714 -10.464 20.519 446 H ASN 55 HN ASN 55 -4.338 -16.011 20.647 447 HA ASN 55 HA ASN 55 -2.982 -16.382 18.276 448 HB2 ASN 55 HB2 ASN 55 -1.957 -16.800 20.460 449 HB3 ASN 55 HB1 ASN 55 -3.001 -18.201 20.701 450 HD21 ASN 55 HD21 ASN 55 -0.701 -16.963 18.203 451 HD22 ASN 55 HD22 ASN 55 -0.026 -18.485 17.874 452 H ASP 56 HN ASP 56 -5.813 -17.971 19.392 453 HA ASP 56 HA ASP 56 -5.620 -20.423 17.999 454 HB2 ASP 56 HB2 ASP 56 -7.984 -18.784 18.918 455 HB3 ASP 56 HB1 ASP 56 -8.161 -20.349 18.127 456 H TYR 57 HN TYR 57 -6.760 -17.209 17.022 457 HA TYR 57 HA TYR 57 -7.965 -17.884 14.591 458 HB2 TYR 57 HB2 TYR 57 -6.527 -15.394 15.518 459 HB3 TYR 57 HB1 TYR 57 -7.202 -15.504 13.893 460 HD1 TYR 57 HD1 TYR 57 -8.101 -15.928 17.498 461 HD2 TYR 57 HD2 TYR 57 -9.493 -15.093 13.524 462 HE1 TYR 57 HE1 TYR 57 -10.347 -15.384 18.401 463 HE2 TYR 57 HE2 TYR 57 -11.739 -14.553 14.425 464 HH TYR 57 HH TYR 57 -12.326 -14.014 17.699 465 H ILE 58 HN ILE 58 -4.553 -17.217 15.327 466 HA ILE 58 HA ILE 58 -3.605 -17.410 12.667 467 HB ILE 58 HB ILE 58 -2.236 -17.875 15.328 468 HG12 ILE 58 HG12 ILE 58 -2.013 -15.594 13.343 469 HG13 ILE 58 HG11 ILE 58 -3.124 -15.582 14.718 470 HG21 ILE 58 HG21 ILE 58 -0.921 -19.092 13.750 471 HG22 ILE 58 HG22 ILE 58 -0.136 -17.519 13.885 472 HG23 ILE 58 HG23 ILE 58 -1.162 -17.875 12.496 473 HD11 ILE 58 HD11 ILE 58 -1.382 -15.513 16.287 474 HD12 ILE 58 HD12 ILE 58 -0.755 -14.499 14.988 475 HD13 ILE 58 HD13 ILE 58 -0.198 -16.162 15.154 476 H ALA 59 HN ALA 59 -3.953 -19.819 15.251 477 HA ALA 59 HA ALA 59 -2.764 -21.982 13.900 478 HB1 ALA 59 HB1 ALA 59 -3.818 -23.388 15.537 479 HB2 ALA 59 HB2 ALA 59 -5.028 -22.157 15.896 480 HB3 ALA 59 HB3 ALA 59 -3.342 -21.896 16.348 481 H GLU 60 HN GLU 60 -6.021 -20.657 13.802 482 HA GLU 60 HA GLU 60 -7.196 -22.831 12.366 483 HB2 GLU 60 HB2 GLU 60 -8.025 -19.950 12.745 484 HB3 GLU 60 HB1 GLU 60 -9.001 -21.135 11.878 485 HG2 GLU 60 HG2 GLU 60 -9.119 -22.552 13.860 486 HG3 GLU 60 HG1 GLU 60 -8.045 -21.465 14.735 487 H HIS 61 HN HIS 61 -5.759 -19.730 11.404 488 HA HIS 61 HA HIS 61 -5.533 -20.739 8.631 489 HB2 HIS 61 HB2 HIS 61 -6.361 -17.911 9.283 490 HB3 HIS 61 HB1 HIS 61 -6.336 -18.695 7.704 491 HD2 HIS 61 HD2 HIS 61 -8.803 -18.126 10.573 492 HE1 HIS 61 HE1 HIS 61 -10.400 -21.292 8.282 493 HE2 HIS 61 HE2 HIS 61 -10.891 -19.634 10.143 494 HA PRO 62 HA PRO 62 -1.676 -18.717 10.345 495 HB2 PRO 62 HB2 PRO 62 -0.000 -20.870 10.169 496 HB3 PRO 62 HB1 PRO 62 -1.033 -20.566 11.580 497 HG2 PRO 62 HG2 PRO 62 -1.431 -22.472 9.324 498 HG3 PRO 62 HG1 PRO 62 -1.789 -22.674 11.047 499 HD2 PRO 62 HD2 PRO 62 -3.698 -22.057 9.137 500 HD3 PRO 62 HD1 PRO 62 -3.865 -21.663 10.859 501 H THR 63 HN THR 63 -2.511 -20.525 7.520 502 HA THR 63 HA THR 63 -0.145 -19.980 5.999 503 HB THR 63 HB THR 63 -1.485 -20.763 4.085 504 HG1 THR 63 HG1 THR 63 -3.669 -21.440 4.644 505 HG21 THR 63 HG21 THR 63 -0.469 -22.456 5.495 506 HG22 THR 63 HG22 THR 63 -2.079 -23.008 5.033 507 HG23 THR 63 HG23 THR 63 -1.801 -22.350 6.646 508 H SER 64 HN SER 64 -3.080 -18.257 6.701 509 HA SER 64 HA SER 64 -2.771 -16.367 4.516 510 HB2 SER 64 HB2 SER 64 -5.016 -16.947 5.312 511 HB3 SER 64 HB1 SER 64 -4.615 -16.348 6.920 512 HG SER 64 HG SER 64 -4.640 -14.324 6.184 513 H GLY 65 HN GLY 65 -1.918 -14.338 4.629 514 HA2 GLY 65 HA2 GLY 65 -0.206 -13.741 6.902 515 HA3 GLY 65 HA1 GLY 65 -0.315 -12.826 5.401 516 H ARG 66 HN ARG 66 -3.386 -13.026 5.931 517 HA ARG 66 HA ARG 66 -3.700 -10.411 6.973 518 HB2 ARG 66 HB2 ARG 66 -5.731 -12.638 6.661 519 HB3 ARG 66 HB1 ARG 66 -6.120 -10.948 6.978 520 HG2 ARG 66 HG2 ARG 66 -4.444 -11.735 4.594 521 HG3 ARG 66 HG1 ARG 66 -6.203 -11.770 4.519 522 HD2 ARG 66 HD2 ARG 66 -6.226 -9.369 5.246 523 HD3 ARG 66 HD1 ARG 66 -4.470 -9.358 5.140 524 HE ARG 66 HE ARG 66 -5.766 -10.240 2.714 525 HH11 ARG 66 HH21 ARG 66 -4.639 -7.567 4.605 526 HH12 ARG 66 HH22 ARG 66 -4.457 -6.506 3.246 527 HH21 ARG 66 HH11 ARG 66 -5.525 -8.852 0.930 528 HH22 ARG 66 HH12 ARG 66 -4.958 -7.234 1.170 529 H ASN 67 HN ASN 67 -3.878 -13.609 8.419 530 HA ASN 67 HA ASN 67 -5.100 -13.016 10.847 531 HB2 ASN 67 HB2 ASN 67 -2.979 -15.012 10.065 532 HB3 ASN 67 HB1 ASN 67 -3.562 -14.908 11.725 533 HD21 ASN 67 HD21 ASN 67 -5.697 -15.694 12.183 534 HD22 ASN 67 HD22 ASN 67 -6.654 -16.465 11.013 535 H GLN 68 HN GLN 68 -1.786 -12.450 9.790 536 HA GLN 68 HA GLN 68 -0.595 -11.868 12.247 537 HB2 GLN 68 HB2 GLN 68 -0.100 -10.681 9.509 538 HB3 GLN 68 HB1 GLN 68 0.943 -10.407 10.905 539 HG2 GLN 68 HG2 GLN 68 1.363 -12.808 11.105 540 HG3 GLN 68 HG1 GLN 68 0.259 -13.132 9.769 541 HE21 GLN 68 HE21 GLN 68 2.589 -14.139 9.117 542 HE22 GLN 68 HE22 GLN 68 3.531 -13.117 8.143 543 H ALA 69 HN ALA 69 -2.503 -9.789 10.088 544 HA ALA 69 HA ALA 69 -2.161 -7.441 11.709 545 HB1 ALA 69 HB1 ALA 69 -4.339 -7.924 9.675 546 HB2 ALA 69 HB2 ALA 69 -2.695 -7.467 9.228 547 HB3 ALA 69 HB3 ALA 69 -3.678 -6.379 10.209 548 H LEU 70 HN LEU 70 -4.857 -9.719 11.177 549 HA LEU 70 HA LEU 70 -6.663 -8.517 13.001 550 HB2 LEU 70 HB2 LEU 70 -6.383 -11.255 11.770 551 HB3 LEU 70 HB1 LEU 70 -7.555 -11.017 13.062 552 HG LEU 70 HG LEU 70 -8.668 -9.279 11.810 553 HD11 LEU 70 HD11 LEU 70 -6.879 -8.161 10.692 554 HD12 LEU 70 HD12 LEU 70 -7.861 -8.866 9.406 555 HD13 LEU 70 HD13 LEU 70 -6.358 -9.646 9.897 556 HD21 LEU 70 HD21 LEU 70 -9.382 -10.599 9.808 557 HD22 LEU 70 HD22 LEU 70 -9.359 -11.554 11.291 558 HD23 LEU 70 HD23 LEU 70 -8.051 -11.714 10.117 559 H THR 71 HN THR 71 -4.278 -11.132 13.418 560 HA THR 71 HA THR 71 -4.972 -11.769 16.045 561 HB THR 71 HB THR 71 -2.197 -11.902 14.866 562 HG1 THR 71 HG1 THR 71 -4.094 -13.971 14.849 563 HG21 THR 71 HG21 THR 71 -3.157 -14.058 16.631 564 HG22 THR 71 HG22 THR 71 -3.052 -12.503 17.453 565 HG23 THR 71 HG23 THR 71 -1.628 -13.185 16.675 566 H GLN 72 HN GLN 72 -2.393 -9.641 14.864 567 HA GLN 72 HA GLN 72 -1.654 -8.715 17.444 568 HB2 GLN 72 HB2 GLN 72 -0.144 -8.658 15.515 569 HB3 GLN 72 HB1 GLN 72 -1.189 -7.471 14.736 570 HG2 GLN 72 HG2 GLN 72 -0.790 -5.865 16.519 571 HG3 GLN 72 HG1 GLN 72 0.119 -7.063 17.438 572 HE21 GLN 72 HE21 GLN 72 1.329 -4.599 16.714 573 HE22 GLN 72 HE22 GLN 72 2.538 -4.902 15.563 574 H LEU 73 HN LEU 73 -3.752 -7.384 14.902 575 HA LEU 73 HA LEU 73 -4.176 -4.929 16.188 576 HB2 LEU 73 HB2 LEU 73 -4.664 -5.225 13.803 577 HB3 LEU 73 HB1 LEU 73 -5.940 -6.373 14.185 578 HG LEU 73 HG LEU 73 -6.663 -3.969 13.634 579 HD11 LEU 73 HD11 LEU 73 -7.793 -4.476 16.329 580 HD12 LEU 73 HD12 LEU 73 -7.838 -5.872 15.251 581 HD13 LEU 73 HD13 LEU 73 -8.598 -4.365 14.765 582 HD21 LEU 73 HD21 LEU 73 -4.786 -3.021 15.137 583 HD22 LEU 73 HD22 LEU 73 -5.845 -3.393 16.495 584 HD23 LEU 73 HD23 LEU 73 -6.354 -2.256 15.263 585 H LYS 74 HN LYS 74 -6.344 -7.746 15.992 586 HA LYS 74 HA LYS 74 -8.310 -6.723 17.733 587 HB2 LYS 74 HB2 LYS 74 -7.527 -9.584 17.090 588 HB3 LYS 74 HB1 LYS 74 -8.983 -9.143 17.955 589 HG2 LYS 74 HG2 LYS 74 -9.567 -7.666 15.956 590 HG3 LYS 74 HG1 LYS 74 -8.267 -8.499 15.100 591 HD2 LYS 74 HD2 LYS 74 -10.744 -9.751 16.321 592 HD3 LYS 74 HD1 LYS 74 -10.332 -9.665 14.610 593 HE2 LYS 74 HE2 LYS 74 -8.193 -10.978 15.275 594 HE3 LYS 74 HE1 LYS 74 -9.053 -11.337 16.769 595 HZ1 LYS 74 HZ1 LYS 74 -10.396 -12.762 15.740 596 HZ2 LYS 74 HZ2 LYS 74 -9.271 -12.736 14.466 597 HZ3 LYS 74 HZ3 LYS 74 -10.644 -11.736 14.413 598 H GLU 75 HN GLU 75 -5.382 -8.599 18.292 599 HA GLU 75 HA GLU 75 -5.748 -9.254 20.953 600 HB2 GLU 75 HB2 GLU 75 -3.851 -10.198 19.944 601 HB3 GLU 75 HB1 GLU 75 -3.297 -8.649 19.318 602 HG2 GLU 75 HG2 GLU 75 -3.457 -9.114 22.293 603 HG3 GLU 75 HG1 GLU 75 -2.066 -9.687 21.374 604 H GLN 76 HN GLN 76 -5.063 -6.177 19.493 605 HA GLN 76 HA GLN 76 -4.186 -4.916 21.908 606 HB2 GLN 76 HB2 GLN 76 -3.689 -4.082 19.603 607 HB3 GLN 76 HB1 GLN 76 -5.390 -3.646 19.441 608 HG2 GLN 76 HG2 GLN 76 -5.209 -2.158 21.394 609 HG3 GLN 76 HG1 GLN 76 -3.509 -2.594 21.575 610 HE21 GLN 76 HE21 GLN 76 -2.444 -0.670 20.956 611 HE22 GLN 76 HE22 GLN 76 -2.683 0.101 19.463 612 H VAL 77 HN VAL 77 -7.143 -4.258 20.012 613 HA VAL 77 HA VAL 77 -8.456 -3.300 22.398 614 HB VAL 77 HB VAL 77 -8.620 -2.076 20.318 615 HG11 VAL 77 HG11 VAL 77 -10.454 -4.209 19.276 616 HG12 VAL 77 HG12 VAL 77 -8.716 -4.330 18.999 617 HG13 VAL 77 HG13 VAL 77 -9.610 -2.936 18.395 618 HG21 VAL 77 HG21 VAL 77 -10.979 -1.618 20.562 619 HG22 VAL 77 HG22 VAL 77 -10.373 -2.080 22.164 620 HG23 VAL 77 HG23 VAL 77 -11.284 -3.236 21.192 621 H THR 78 HN THR 78 -9.399 -5.744 19.945 622 HA THR 78 HA THR 78 -11.793 -6.526 21.032 623 HB THR 78 HB THR 78 -9.713 -7.737 19.372 624 HG1 THR 78 HG1 THR 78 -11.276 -6.934 18.227 625 HG21 THR 78 HG21 THR 78 -9.902 -9.624 20.774 626 HG22 THR 78 HG22 THR 78 -10.925 -9.969 19.377 627 HG23 THR 78 HG23 THR 78 -11.649 -9.450 20.900 628 H SER 79 HN SER 79 -8.577 -7.499 21.962 629 HA SER 79 HA SER 79 -9.469 -9.212 24.039 630 HB2 SER 79 HB2 SER 79 -6.815 -7.830 23.734 631 HB3 SER 79 HB1 SER 79 -7.143 -9.249 24.720 632 HG SER 79 HG SER 79 -7.788 -9.292 22.003 633 H ALA 80 HN ALA 80 -8.821 -5.791 23.707 634 HA ALA 80 HA ALA 80 -8.502 -5.008 26.304 635 HB1 ALA 80 HB1 ALA 80 -9.587 -2.865 25.771 636 HB2 ALA 80 HB2 ALA 80 -10.007 -3.521 24.197 637 HB3 ALA 80 HB3 ALA 80 -8.323 -3.338 24.651 638 H LEU 81 HN LEU 81 -11.051 -6.831 25.269 639 HA LEU 81 HA LEU 81 -12.588 -6.039 27.644 640 HB2 LEU 81 HB2 LEU 81 -13.684 -7.118 25.069 641 HB3 LEU 81 HB1 LEU 81 -14.629 -6.819 26.528 642 HG LEU 81 HG LEU 81 -12.947 -4.759 25.097 643 HD11 LEU 81 HD11 LEU 81 -15.957 -4.989 25.103 644 HD12 LEU 81 HD12 LEU 81 -14.924 -5.635 23.827 645 HD13 LEU 81 HD13 LEU 81 -14.944 -3.914 24.145 646 HD21 LEU 81 HD21 LEU 81 -13.185 -3.622 27.061 647 HD22 LEU 81 HD22 LEU 81 -14.315 -4.820 27.710 648 HD23 LEU 81 HD23 LEU 81 -14.921 -3.524 26.716 649 H GLY 82 HN GLY 82 -10.875 -8.566 26.143 650 HA2 GLY 82 HA2 GLY 82 -10.496 -10.747 26.799 651 HA3 GLY 82 HA1 GLY 82 -10.924 -10.193 28.415 652 H LEU 83 HN LEU 83 -12.674 -10.753 25.338 653 HA LEU 83 HA LEU 83 -15.031 -11.609 26.743 654 HB2 LEU 83 HB2 LEU 83 -14.462 -12.049 23.812 655 HB3 LEU 83 HB1 LEU 83 -16.024 -11.944 24.612 656 HG LEU 83 HG LEU 83 -15.741 -9.848 23.561 657 HD11 LEU 83 HD11 LEU 83 -14.762 -9.211 26.332 658 HD12 LEU 83 HD12 LEU 83 -16.375 -9.872 26.053 659 HD13 LEU 83 HD13 LEU 83 -15.918 -8.330 25.330 660 HD21 LEU 83 HD21 LEU 83 -13.114 -9.192 24.854 661 HD22 LEU 83 HD22 LEU 83 -13.774 -8.645 23.325 662 HD23 LEU 83 HD23 LEU 83 -13.093 -10.260 23.454 663 H GLU 84 HN GLU 84 -12.143 -13.160 26.115 664 HA GLU 84 HA GLU 84 -11.487 -15.362 26.207 665 HB2 GLU 84 HB2 GLU 84 -12.664 -15.284 28.361 666 HB3 GLU 84 HB1 GLU 84 -14.174 -15.702 27.554 667 HG2 GLU 84 HG2 GLU 84 -13.268 -17.851 26.862 668 HG3 GLU 84 HG1 GLU 84 -11.684 -17.433 27.513 669 H HIS 85 HN HIS 85 -11.306 -16.444 24.374 670 HA HIS 85 HA HIS 85 -13.299 -16.665 22.403 671 HB2 HIS 85 HB2 HIS 85 -10.841 -16.950 22.024 672 HB3 HIS 85 HB1 HIS 85 -10.943 -18.519 22.825 673 HD2 HIS 85 HD2 HIS 85 -11.939 -16.876 19.414 674 HE1 HIS 85 HE1 HIS 85 -12.985 -20.963 19.239 675 HE2 HIS 85 HE2 HIS 85 -12.784 -18.821 17.890 676 H HIS 86 HN HIS 86 -15.052 -17.897 22.302 677 HA HIS 86 HA HIS 86 -15.510 -19.956 24.305 678 HB2 HIS 86 HB2 HIS 86 -17.253 -18.919 22.057 679 HB3 HIS 86 HB1 HIS 86 -17.766 -20.069 23.292 680 HD2 HIS 86 HD2 HIS 86 -17.379 -16.252 22.859 681 HE1 HIS 86 HE1 HIS 86 -18.119 -16.939 26.959 682 HE2 HIS 86 HE2 HIS 86 -17.949 -15.156 25.160 683 H HIS 87 HN HIS 87 -15.716 -22.130 23.932 684 HA HIS 87 HA HIS 87 -15.523 -23.190 21.220 685 HB2 HIS 87 HB2 HIS 87 -13.564 -24.608 21.796 686 HB3 HIS 87 HB1 HIS 87 -13.172 -22.889 21.775 687 HD2 HIS 87 HD2 HIS 87 -13.746 -25.739 24.462 688 HE1 HIS 87 HE1 HIS 87 -11.891 -22.452 26.352 689 HE2 HIS 87 HE2 HIS 87 -12.666 -24.849 26.665 690 H HIS 88 HN HIS 88 -15.813 -25.538 21.173 691 HA HIS 88 HA HIS 88 -16.772 -26.832 23.599 692 HB2 HIS 88 HB2 HIS 88 -18.983 -27.360 22.632 693 HB3 HIS 88 HB1 HIS 88 -18.772 -25.624 22.863 694 HD2 HIS 88 HD2 HIS 88 -19.576 -28.076 20.015 695 HE1 HIS 88 HE1 HIS 88 -18.591 -24.404 18.181 696 HE2 HIS 88 HE2 HIS 88 -19.568 -26.713 17.787 697 H HIS 89 HN HIS 89 -17.280 -29.122 23.226 698 HA HIS 89 HA HIS 89 -15.381 -30.295 21.407 699 HB2 HIS 89 HB2 HIS 89 -15.708 -31.338 23.564 700 HB3 HIS 89 HB1 HIS 89 -17.437 -31.516 23.265 701 HD2 HIS 89 HD2 HIS 89 -18.094 -33.923 22.064 702 HE1 HIS 89 HE1 HIS 89 -14.240 -34.970 20.696 703 HE2 HIS 89 HE2 HIS 89 -16.650 -35.751 20.885 704 H HIS 90 HN HIS 90 -15.735 -31.016 19.402 705 HA HIS 90 HA HIS 90 -18.287 -32.010 18.529 706 HB2 HIS 90 HB2 HIS 90 -18.585 -29.505 18.434 707 HB3 HIS 90 HB1 HIS 90 -17.308 -29.468 17.219 708 HD2 HIS 90 HD2 HIS 90 -21.076 -30.420 17.497 709 HE1 HIS 90 HE1 HIS 90 -19.839 -31.288 13.554 710 HE2 HIS 90 HE2 HIS 90 -21.847 -31.109 15.099 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -8.169 -9.359 30.314 2 H2 MET 1 HT2 MET 1 -9.845 -9.387 30.585 3 H3 MET 1 HT3 MET 1 -9.071 -7.930 30.185 4 HA MET 1 HA MET 1 -8.665 -8.604 27.988 5 HB2 MET 1 HB2 MET 1 -9.248 -10.938 27.271 6 HB3 MET 1 HB1 MET 1 -7.944 -10.887 28.455 7 HG2 MET 1 HG2 MET 1 -9.915 -11.155 30.203 8 HG3 MET 1 HG1 MET 1 -10.793 -11.774 28.807 9 HE1 MET 1 HE1 MET 1 -9.149 -13.419 27.032 10 HE2 MET 1 HE2 MET 1 -10.649 -13.885 27.832 11 HE3 MET 1 HE3 MET 1 -9.274 -14.986 27.844 12 H GLY 2 HN GLY 2 -10.212 -7.391 27.103 13 HA2 GLY 2 HA2 GLY 2 -12.870 -8.411 26.743 14 HA3 GLY 2 HA1 GLY 2 -12.818 -7.055 27.860 15 H GLN 3 HN GLN 3 -11.435 -5.155 27.000 16 HA GLN 3 HA GLN 3 -12.692 -4.211 24.644 17 HB2 GLN 3 HB2 GLN 3 -11.867 -2.761 26.509 18 HB3 GLN 3 HB1 GLN 3 -10.223 -3.097 25.981 19 HG2 GLN 3 HG2 GLN 3 -10.630 -2.078 23.831 20 HG3 GLN 3 HG1 GLN 3 -12.348 -1.906 24.188 21 HE21 GLN 3 HE21 GLN 3 -10.767 0.377 23.525 22 HE22 GLN 3 HE22 GLN 3 -10.634 1.358 24.903 23 H ILE 4 HN ILE 4 -12.253 -4.892 22.686 24 HA ILE 4 HA ILE 4 -9.608 -5.882 21.952 25 HB ILE 4 HB ILE 4 -10.955 -6.138 19.649 26 HG12 ILE 4 HG12 ILE 4 -13.340 -6.430 20.015 27 HG13 ILE 4 HG11 ILE 4 -13.147 -6.116 21.729 28 HG21 ILE 4 HG21 ILE 4 -11.717 -7.942 21.939 29 HG22 ILE 4 HG22 ILE 4 -10.096 -7.954 21.240 30 HG23 ILE 4 HG23 ILE 4 -11.483 -8.358 20.248 31 HD11 ILE 4 HD11 ILE 4 -13.960 -4.157 20.232 32 HD12 ILE 4 HD12 ILE 4 -12.291 -4.055 19.701 33 HD13 ILE 4 HD13 ILE 4 -12.690 -3.813 21.395 34 H PHE 5 HN PHE 5 -8.633 -5.200 19.891 35 HA PHE 5 HA PHE 5 -8.086 -2.450 19.921 36 HB2 PHE 5 HB2 PHE 5 -6.849 -4.516 18.781 37 HB3 PHE 5 HB1 PHE 5 -7.781 -4.026 17.368 38 HD1 PHE 5 HD2 PHE 5 -7.449 -1.807 16.345 39 HD2 PHE 5 HD1 PHE 5 -5.111 -3.097 19.702 40 HE1 PHE 5 HE2 PHE 5 -5.847 0.038 15.934 41 HE2 PHE 5 HE1 PHE 5 -3.505 -1.253 19.294 42 HZ PHE 5 HZ PHE 5 -3.872 0.312 17.407 43 H THR 6 HN THR 6 -8.458 -0.938 18.056 44 HA THR 6 HA THR 6 -11.275 -0.718 17.555 45 HB THR 6 HB THR 6 -10.432 1.270 16.105 46 HG1 THR 6 HG1 THR 6 -8.152 0.022 16.724 47 HG21 THR 6 HG21 THR 6 -9.977 2.605 18.134 48 HG22 THR 6 HG22 THR 6 -9.790 1.116 19.061 49 HG23 THR 6 HG23 THR 6 -11.356 1.526 18.357 50 H VAL 7 HN VAL 7 -12.274 -0.571 15.487 51 HA VAL 7 HA VAL 7 -11.571 -2.689 13.733 52 HB VAL 7 HB VAL 7 -13.388 -1.729 12.284 53 HG11 VAL 7 HG11 VAL 7 -14.094 -2.016 15.221 54 HG12 VAL 7 HG12 VAL 7 -13.795 -3.371 14.135 55 HG13 VAL 7 HG13 VAL 7 -15.167 -2.301 13.851 56 HG21 VAL 7 HG21 VAL 7 -12.941 0.647 13.044 57 HG22 VAL 7 HG22 VAL 7 -13.714 0.229 14.574 58 HG23 VAL 7 HG23 VAL 7 -14.640 0.171 13.073 59 H GLN 8 HN GLN 8 -10.676 0.634 13.899 60 HA GLN 8 HA GLN 8 -10.176 1.353 11.292 61 HB2 GLN 8 HB2 GLN 8 -8.486 1.879 13.749 62 HB3 GLN 8 HB1 GLN 8 -8.281 2.713 12.209 63 HG2 GLN 8 HG2 GLN 8 -10.616 3.511 12.331 64 HG3 GLN 8 HG1 GLN 8 -10.815 2.685 13.875 65 HE21 GLN 8 HE21 GLN 8 -9.785 3.619 15.763 66 HE22 GLN 8 HE22 GLN 8 -9.093 5.168 15.729 67 H GLU 9 HN GLU 9 -8.070 -0.560 13.432 68 HA GLU 9 HA GLU 9 -6.017 -0.931 11.482 69 HB2 GLU 9 HB2 GLU 9 -5.664 -1.155 13.935 70 HB3 GLU 9 HB1 GLU 9 -6.636 -2.625 13.912 71 HG2 GLU 9 HG2 GLU 9 -5.062 -3.649 12.316 72 HG3 GLU 9 HG1 GLU 9 -4.095 -2.175 12.320 73 H LEU 10 HN LEU 10 -8.856 -2.785 12.471 74 HA LEU 10 HA LEU 10 -8.283 -5.107 10.981 75 HB2 LEU 10 HB2 LEU 10 -9.969 -5.007 12.804 76 HB3 LEU 10 HB1 LEU 10 -10.995 -4.013 11.773 77 HG LEU 10 HG LEU 10 -11.009 -5.865 10.076 78 HD11 LEU 10 HD11 LEU 10 -10.313 -8.161 11.232 79 HD12 LEU 10 HD12 LEU 10 -9.230 -7.123 12.156 80 HD13 LEU 10 HD13 LEU 10 -9.117 -7.177 10.398 81 HD21 LEU 10 HD21 LEU 10 -11.920 -6.683 12.845 82 HD22 LEU 10 HD22 LEU 10 -12.536 -7.312 11.317 83 HD23 LEU 10 HD23 LEU 10 -12.818 -5.626 11.754 84 H LYS 11 HN LYS 11 -10.083 -2.168 10.211 85 HA LYS 11 HA LYS 11 -11.114 -2.969 7.726 86 HB2 LYS 11 HB2 LYS 11 -10.377 -0.248 8.813 87 HB3 LYS 11 HB1 LYS 11 -11.168 -0.479 7.254 88 HG2 LYS 11 HG2 LYS 11 -13.032 -1.646 8.356 89 HG3 LYS 11 HG1 LYS 11 -12.244 -1.450 9.919 90 HD2 LYS 11 HD2 LYS 11 -12.360 0.996 9.691 91 HD3 LYS 11 HD1 LYS 11 -13.123 0.819 8.109 92 HE2 LYS 11 HE2 LYS 11 -15.007 -0.394 9.170 93 HE3 LYS 11 HE1 LYS 11 -14.251 -0.169 10.747 94 HZ1 LYS 11 HZ1 LYS 11 -15.188 1.816 10.865 95 HZ2 LYS 11 HZ2 LYS 11 -15.889 1.610 9.331 96 HZ3 LYS 11 HZ3 LYS 11 -14.350 2.314 9.476 97 H GLU 12 HN GLU 12 -8.029 -1.460 8.597 98 HA GLU 12 HA GLU 12 -7.090 -1.003 5.979 99 HB2 GLU 12 HB2 GLU 12 -5.628 -1.509 8.575 100 HB3 GLU 12 HB1 GLU 12 -4.815 -1.054 7.077 101 HG2 GLU 12 HG2 GLU 12 -6.113 1.013 6.960 102 HG3 GLU 12 HG1 GLU 12 -7.022 0.551 8.398 103 H ARG 13 HN ARG 13 -6.490 -3.736 8.189 104 HA ARG 13 HA ARG 13 -5.023 -5.245 6.255 105 HB2 ARG 13 HB2 ARG 13 -6.309 -5.980 8.884 106 HB3 ARG 13 HB1 ARG 13 -5.416 -7.137 7.896 107 HG2 ARG 13 HG2 ARG 13 -3.429 -5.667 7.977 108 HG3 ARG 13 HG1 ARG 13 -4.322 -4.526 8.983 109 HD2 ARG 13 HD2 ARG 13 -4.617 -6.264 10.703 110 HD3 ARG 13 HD1 ARG 13 -3.733 -7.411 9.702 111 HE ARG 13 HE ARG 13 -2.601 -5.216 11.248 112 HH11 ARG 13 HH21 ARG 13 -2.221 -7.536 8.709 113 HH12 ARG 13 HH22 ARG 13 -0.489 -7.517 8.762 114 HH21 ARG 13 HH11 ARG 13 -0.329 -5.186 11.323 115 HH22 ARG 13 HH12 ARG 13 0.581 -6.186 10.241 116 H ALA 14 HN ALA 14 -8.384 -5.165 7.305 117 HA ALA 14 HA ALA 14 -9.183 -7.449 5.768 118 HB1 ALA 14 HB1 ALA 14 -11.472 -6.752 6.345 119 HB2 ALA 14 HB2 ALA 14 -10.846 -5.235 6.989 120 HB3 ALA 14 HB3 ALA 14 -10.429 -6.760 7.768 121 H LYS 15 HN LYS 15 -8.377 -4.292 4.947 122 HA LYS 15 HA LYS 15 -10.240 -3.593 2.988 123 HB2 LYS 15 HB2 LYS 15 -8.425 -2.112 3.828 124 HB3 LYS 15 HB1 LYS 15 -7.263 -3.084 2.922 125 HG2 LYS 15 HG2 LYS 15 -8.361 -2.529 0.822 126 HG3 LYS 15 HG1 LYS 15 -9.636 -1.666 1.678 127 HD2 LYS 15 HD2 LYS 15 -8.053 -0.024 0.862 128 HD3 LYS 15 HD1 LYS 15 -7.880 -0.126 2.614 129 HE2 LYS 15 HE2 LYS 15 -6.141 -1.878 0.882 130 HE3 LYS 15 HE1 LYS 15 -5.730 -0.176 1.080 131 HZ1 LYS 15 HZ1 LYS 15 -6.431 -1.355 3.566 132 HZ2 LYS 15 HZ2 LYS 15 -5.002 -0.553 3.119 133 HZ3 LYS 15 HZ3 LYS 15 -5.172 -2.217 2.826 134 H VAL 16 HN VAL 16 -7.262 -5.522 2.692 135 HA VAL 16 HA VAL 16 -6.440 -6.722 0.890 136 HB VAL 16 HB VAL 16 -9.317 -7.672 0.855 137 HG11 VAL 16 HG11 VAL 16 -8.048 -9.865 0.315 138 HG12 VAL 16 HG12 VAL 16 -6.670 -8.832 -0.049 139 HG13 VAL 16 HG13 VAL 16 -8.161 -8.670 -0.972 140 HG21 VAL 16 HG21 VAL 16 -8.377 -9.392 2.486 141 HG22 VAL 16 HG22 VAL 16 -8.636 -7.769 3.125 142 HG23 VAL 16 HG23 VAL 16 -7.009 -8.299 2.694 143 H PHE 17 HN PHE 17 -9.387 -7.141 -0.755 144 HA PHE 17 HA PHE 17 -9.026 -4.875 -2.550 145 HB2 PHE 17 HB2 PHE 17 -8.804 -7.744 -3.486 146 HB3 PHE 17 HB1 PHE 17 -8.894 -6.330 -4.535 147 HD1 PHE 17 HD1 PHE 17 -7.145 -4.425 -4.049 148 HD2 PHE 17 HD2 PHE 17 -6.691 -8.509 -2.795 149 HE1 PHE 17 HE1 PHE 17 -4.697 -4.088 -3.833 150 HE2 PHE 17 HE2 PHE 17 -4.246 -8.172 -2.579 151 HZ PHE 17 HZ PHE 17 -3.249 -5.961 -3.097 152 H ALA 18 HN ALA 18 -10.826 -4.517 -3.911 153 HA ALA 18 HA ALA 18 -13.124 -4.273 -4.114 154 HB1 ALA 18 HB1 ALA 18 -12.993 -7.289 -4.280 155 HB2 ALA 18 HB2 ALA 18 -12.493 -6.218 -5.588 156 HB3 ALA 18 HB3 ALA 18 -14.170 -6.223 -5.045 157 H LYS 19 HN LYS 19 -13.518 -3.542 -1.944 158 HA LYS 19 HA LYS 19 -13.835 -4.984 0.296 159 HB2 LYS 19 HB2 LYS 19 -14.990 -2.496 -0.700 160 HB3 LYS 19 HB1 LYS 19 -15.962 -3.241 0.559 161 HG2 LYS 19 HG2 LYS 19 -14.365 -1.789 1.648 162 HG3 LYS 19 HG1 LYS 19 -13.866 -3.444 1.964 163 HD2 LYS 19 HD2 LYS 19 -11.833 -2.500 1.294 164 HD3 LYS 19 HD1 LYS 19 -12.410 -3.126 -0.243 165 HE2 LYS 19 HE2 LYS 19 -13.338 -0.922 -0.815 166 HE3 LYS 19 HE1 LYS 19 -12.810 -0.292 0.742 167 HZ1 LYS 19 HZ1 LYS 19 -10.793 0.022 -0.056 168 HZ2 LYS 19 HZ2 LYS 19 -11.367 -0.398 -1.598 169 HZ3 LYS 19 HZ3 LYS 19 -10.679 -1.582 -0.591 170 HA PRO 20 HA PRO 20 -16.986 -7.957 -1.051 171 HB2 PRO 20 HB2 PRO 20 -16.824 -8.634 1.868 172 HB3 PRO 20 HB1 PRO 20 -16.715 -9.707 0.458 173 HG2 PRO 20 HG2 PRO 20 -14.551 -9.044 1.876 174 HG3 PRO 20 HG1 PRO 20 -14.482 -9.237 0.113 175 HD2 PRO 20 HD2 PRO 20 -14.479 -6.728 1.735 176 HD3 PRO 20 HD1 PRO 20 -13.665 -7.114 0.196 177 H ILE 21 HN ILE 21 -19.215 -8.037 -0.853 178 HA ILE 21 HA ILE 21 -20.540 -5.779 0.239 179 HB ILE 21 HB ILE 21 -21.398 -7.041 -1.702 180 HG12 ILE 21 HG12 ILE 21 -23.356 -7.234 0.601 181 HG13 ILE 21 HG11 ILE 21 -22.882 -5.687 -0.115 182 HG21 ILE 21 HG21 ILE 21 -22.190 -9.173 0.294 183 HG22 ILE 21 HG22 ILE 21 -20.737 -9.292 -0.699 184 HG23 ILE 21 HG23 ILE 21 -22.326 -9.235 -1.464 185 HD11 ILE 21 HD11 ILE 21 -24.928 -6.450 -1.189 186 HD12 ILE 21 HD12 ILE 21 -24.198 -8.015 -1.547 187 HD13 ILE 21 HD13 ILE 21 -23.604 -6.562 -2.349 188 H GLY 22 HN GLY 22 -21.625 -5.485 2.122 189 HA2 GLY 22 HA2 GLY 22 -21.035 -7.248 4.316 190 HA3 GLY 22 HA1 GLY 22 -21.993 -5.774 4.390 191 H ALA 23 HN ALA 23 -22.704 -8.106 5.769 192 HA ALA 23 HA ALA 23 -25.386 -8.469 4.808 193 HB1 ALA 23 HB1 ALA 23 -25.350 -10.726 4.192 194 HB2 ALA 23 HB2 ALA 23 -23.804 -11.021 4.978 195 HB3 ALA 23 HB3 ALA 23 -23.865 -10.111 3.472 196 H SER 24 HN SER 24 -25.182 -11.231 6.228 197 HA SER 24 HA SER 24 -25.906 -10.218 8.836 198 HB2 SER 24 HB2 SER 24 -27.101 -12.115 7.762 199 HB3 SER 24 HB1 SER 24 -25.632 -13.079 7.881 200 HG SER 24 HG SER 24 -27.446 -12.322 9.822 201 H TYR 25 HN TYR 25 -23.066 -11.438 7.335 202 HA TYR 25 HA TYR 25 -21.796 -12.416 9.717 203 HB2 TYR 25 HB2 TYR 25 -19.880 -12.772 8.361 204 HB3 TYR 25 HB1 TYR 25 -21.261 -13.095 7.313 205 HD1 TYR 25 HD1 TYR 25 -18.738 -10.529 8.242 206 HD2 TYR 25 HD2 TYR 25 -21.668 -11.776 5.374 207 HE1 TYR 25 HE1 TYR 25 -17.961 -8.761 6.690 208 HE2 TYR 25 HE2 TYR 25 -20.903 -10.004 3.817 209 HH TYR 25 HH TYR 25 -17.993 -8.214 4.376 210 H GLN 26 HN GLN 26 -22.321 -9.325 8.362 211 HA GLN 26 HA GLN 26 -20.041 -7.914 9.151 212 HB2 GLN 26 HB2 GLN 26 -21.374 -5.935 8.947 213 HB3 GLN 26 HB1 GLN 26 -21.973 -7.067 7.735 214 HG2 GLN 26 HG2 GLN 26 -23.675 -7.809 9.526 215 HG3 GLN 26 HG1 GLN 26 -23.209 -6.353 10.396 216 HE21 GLN 26 HE21 GLN 26 -25.614 -5.820 9.935 217 HE22 GLN 26 HE22 GLN 26 -25.960 -5.053 8.461 218 H GLY 27 HN GLY 27 -22.553 -9.327 11.025 219 HA2 GLY 27 HA2 GLY 27 -22.666 -7.747 13.301 220 HA3 GLY 27 HA1 GLY 27 -22.844 -9.499 13.306 221 H ILE 28 HN ILE 28 -20.037 -9.615 12.087 222 HA ILE 28 HA ILE 28 -18.634 -10.044 14.526 223 HB ILE 28 HB ILE 28 -18.197 -11.260 12.374 224 HG12 ILE 28 HG12 ILE 28 -15.751 -9.822 13.439 225 HG13 ILE 28 HG11 ILE 28 -16.567 -11.114 14.319 226 HG21 ILE 28 HG21 ILE 28 -18.286 -9.106 11.005 227 HG22 ILE 28 HG22 ILE 28 -16.961 -10.204 10.619 228 HG23 ILE 28 HG23 ILE 28 -16.661 -8.770 11.601 229 HD11 ILE 28 HD11 ILE 28 -15.328 -11.326 11.561 230 HD12 ILE 28 HD12 ILE 28 -16.242 -12.612 12.351 231 HD13 ILE 28 HD13 ILE 28 -14.716 -12.060 13.042 232 H LEU 29 HN LEU 29 -19.012 -7.319 12.413 233 HA LEU 29 HA LEU 29 -16.735 -5.904 13.560 234 HB2 LEU 29 HB2 LEU 29 -17.421 -5.786 11.098 235 HB3 LEU 29 HB1 LEU 29 -18.779 -4.808 11.641 236 HG LEU 29 HG LEU 29 -16.996 -3.373 12.880 237 HD11 LEU 29 HD11 LEU 29 -15.292 -5.004 10.974 238 HD12 LEU 29 HD12 LEU 29 -15.027 -4.701 12.685 239 HD13 LEU 29 HD13 LEU 29 -14.801 -3.408 11.523 240 HD21 LEU 29 HD21 LEU 29 -16.481 -2.143 10.703 241 HD22 LEU 29 HD22 LEU 29 -18.189 -2.427 11.041 242 HD23 LEU 29 HD23 LEU 29 -17.339 -3.442 9.876 243 H ASP 30 HN ASP 30 -20.194 -6.065 13.827 244 HA ASP 30 HA ASP 30 -20.688 -3.580 15.065 245 HB2 ASP 30 HB2 ASP 30 -22.090 -6.251 15.258 246 HB3 ASP 30 HB1 ASP 30 -22.690 -4.792 16.046 247 H GLN 31 HN GLN 31 -19.764 -6.735 16.397 248 HA GLN 31 HA GLN 31 -19.955 -6.012 19.133 249 HB2 GLN 31 HB2 GLN 31 -18.335 -8.138 17.721 250 HB3 GLN 31 HB1 GLN 31 -18.415 -7.985 19.483 251 HG2 GLN 31 HG2 GLN 31 -20.872 -8.210 19.378 252 HG3 GLN 31 HG1 GLN 31 -20.783 -8.393 17.626 253 HE21 GLN 31 HE21 GLN 31 -21.242 -10.592 17.269 254 HE22 GLN 31 HE22 GLN 31 -20.451 -11.872 18.056 255 H LEU 32 HN LEU 32 -17.265 -5.924 16.816 256 HA LEU 32 HA LEU 32 -15.250 -5.212 18.623 257 HB2 LEU 32 HB2 LEU 32 -15.676 -4.750 15.672 258 HB3 LEU 32 HB1 LEU 32 -14.254 -4.073 16.475 259 HG LEU 32 HG LEU 32 -14.939 -6.996 16.864 260 HD11 LEU 32 HD11 LEU 32 -14.907 -6.940 14.502 261 HD12 LEU 32 HD12 LEU 32 -13.259 -7.376 14.937 262 HD13 LEU 32 HD13 LEU 32 -13.636 -5.721 14.457 263 HD21 LEU 32 HD21 LEU 32 -13.026 -5.419 17.991 264 HD22 LEU 32 HD22 LEU 32 -12.147 -5.948 16.569 265 HD23 LEU 32 HD23 LEU 32 -12.797 -7.135 17.696 266 H ASP 33 HN ASP 33 -17.460 -3.179 16.741 267 HA ASP 33 HA ASP 33 -16.390 -0.708 17.671 268 HB2 ASP 33 HB2 ASP 33 -19.038 -1.444 16.421 269 HB3 ASP 33 HB1 ASP 33 -18.593 0.209 16.838 270 H LEU 34 HN LEU 34 -19.235 -2.628 18.609 271 HA LEU 34 HA LEU 34 -20.097 -0.886 20.661 272 HB2 LEU 34 HB2 LEU 34 -20.573 -3.834 20.199 273 HB3 LEU 34 HB1 LEU 34 -21.383 -2.902 21.453 274 HG LEU 34 HG LEU 34 -21.437 -2.131 18.520 275 HD11 LEU 34 HD11 LEU 34 -23.604 -3.165 18.353 276 HD12 LEU 34 HD12 LEU 34 -23.620 -3.541 20.074 277 HD13 LEU 34 HD13 LEU 34 -22.503 -4.382 19.001 278 HD21 LEU 34 HD21 LEU 34 -22.763 -1.114 21.038 279 HD22 LEU 34 HD22 LEU 34 -23.620 -0.979 19.507 280 HD23 LEU 34 HD23 LEU 34 -22.055 -0.210 19.704 281 H VAL 35 HN VAL 35 -18.089 -3.788 20.726 282 HA VAL 35 HA VAL 35 -17.774 -3.965 23.501 283 HB VAL 35 HB VAL 35 -15.986 -4.818 21.220 284 HG11 VAL 35 HG11 VAL 35 -15.596 -5.053 24.203 285 HG12 VAL 35 HG12 VAL 35 -14.423 -4.607 22.965 286 HG13 VAL 35 HG13 VAL 35 -14.944 -6.281 23.118 287 HG21 VAL 35 HG21 VAL 35 -16.893 -6.997 21.657 288 HG22 VAL 35 HG22 VAL 35 -18.280 -5.904 21.686 289 HG23 VAL 35 HG23 VAL 35 -17.581 -6.468 23.186 290 H HIS 36 HN HIS 36 -16.432 -1.759 21.217 291 HA HIS 36 HA HIS 36 -14.135 -0.980 22.733 292 HB2 HIS 36 HB2 HIS 36 -14.413 -0.571 20.278 293 HB3 HIS 36 HB1 HIS 36 -15.653 0.622 20.661 294 HD2 HIS 36 HD2 HIS 36 -14.653 3.136 21.258 295 HE1 HIS 36 HE1 HIS 36 -10.612 2.029 21.773 296 HE2 HIS 36 HE2 HIS 36 -12.222 3.991 21.683 297 H GLN 37 HN GLN 37 -17.489 0.106 22.528 298 HA GLN 37 HA GLN 37 -17.017 2.288 24.416 299 HB2 GLN 37 HB2 GLN 37 -18.565 2.685 22.585 300 HB3 GLN 37 HB1 GLN 37 -19.538 1.295 23.065 301 HG2 GLN 37 HG2 GLN 37 -19.000 3.409 25.145 302 HG3 GLN 37 HG1 GLN 37 -20.160 3.783 23.875 303 HE21 GLN 37 HE21 GLN 37 -21.575 1.501 23.465 304 HE22 GLN 37 HE22 GLN 37 -22.294 0.946 24.899 305 H ALA 38 HN ALA 38 -17.707 -1.044 24.536 306 HA ALA 38 HA ALA 38 -19.440 -1.088 26.801 307 HB1 ALA 38 HB1 ALA 38 -18.802 -3.474 26.921 308 HB2 ALA 38 HB2 ALA 38 -17.547 -3.187 25.714 309 HB3 ALA 38 HB3 ALA 38 -19.246 -2.997 25.282 310 H LYS 39 HN LYS 39 -18.929 -1.656 28.959 311 HA LYS 39 HA LYS 39 -16.170 -1.679 29.812 312 HB2 LYS 39 HB2 LYS 39 -16.567 0.733 29.596 313 HB3 LYS 39 HB1 LYS 39 -17.994 0.598 30.621 314 HG2 LYS 39 HG2 LYS 39 -16.092 1.385 31.946 315 HG3 LYS 39 HG1 LYS 39 -16.546 -0.226 32.484 316 HD2 LYS 39 HD2 LYS 39 -14.686 -1.246 31.474 317 HD3 LYS 39 HD1 LYS 39 -14.433 0.092 30.349 318 HE2 LYS 39 HE2 LYS 39 -14.054 0.265 33.348 319 HE3 LYS 39 HE1 LYS 39 -12.749 0.002 32.190 320 HZ1 LYS 39 HZ1 LYS 39 -13.909 2.425 32.952 321 HZ2 LYS 39 HZ2 LYS 39 -14.298 2.169 31.318 322 HZ3 LYS 39 HZ3 LYS 39 -12.675 2.168 31.819 323 H GLY 40 HN GLY 40 -15.918 -2.629 31.802 324 HA2 GLY 40 HA2 GLY 40 -16.728 -3.193 34.013 325 HA3 GLY 40 HA1 GLY 40 -18.367 -3.239 33.370 326 H ARG 41 HN ARG 41 -18.748 -5.341 34.083 327 HA ARG 41 HA ARG 41 -17.030 -7.538 33.506 328 HB2 ARG 41 HB2 ARG 41 -18.936 -8.924 34.212 329 HB3 ARG 41 HB1 ARG 41 -18.650 -7.605 35.347 330 HG2 ARG 41 HG2 ARG 41 -20.411 -6.275 34.166 331 HG3 ARG 41 HG1 ARG 41 -20.746 -7.682 33.158 332 HD2 ARG 41 HD2 ARG 41 -22.334 -7.660 34.991 333 HD3 ARG 41 HD1 ARG 41 -21.213 -8.996 35.237 334 HE ARG 41 HE ARG 41 -20.207 -6.725 36.573 335 HH11 ARG 41 HH21 ARG 41 -22.840 -8.967 36.669 336 HH12 ARG 41 HH22 ARG 41 -23.061 -8.848 38.383 337 HH21 ARG 41 HH11 ARG 41 -20.489 -6.563 38.821 338 HH22 ARG 41 HH12 ARG 41 -21.730 -7.486 39.601 339 H ASP 42 HN ASP 42 -19.563 -5.918 31.761 340 HA ASP 42 HA ASP 42 -20.166 -7.978 29.905 341 HB2 ASP 42 HB2 ASP 42 -21.109 -6.148 28.532 342 HB3 ASP 42 HB1 ASP 42 -21.651 -6.074 30.208 343 H GLN 43 HN GLN 43 -17.726 -5.439 29.996 344 HA GLN 43 HA GLN 43 -16.830 -5.707 27.314 345 HB2 GLN 43 HB2 GLN 43 -16.336 -3.810 28.951 346 HB3 GLN 43 HB1 GLN 43 -15.119 -4.870 29.657 347 HG2 GLN 43 HG2 GLN 43 -13.982 -5.054 27.506 348 HG3 GLN 43 HG1 GLN 43 -15.233 -4.083 26.733 349 HE21 GLN 43 HE21 GLN 43 -13.104 -3.780 29.646 350 HE22 GLN 43 HE22 GLN 43 -12.700 -2.159 29.346 351 H ILE 44 HN ILE 44 -15.882 -7.288 30.317 352 HA ILE 44 HA ILE 44 -13.655 -8.671 29.298 353 HB ILE 44 HB ILE 44 -15.470 -9.285 31.620 354 HG12 ILE 44 HG12 ILE 44 -12.631 -8.255 31.606 355 HG13 ILE 44 HG11 ILE 44 -14.032 -7.175 31.602 356 HG21 ILE 44 HG21 ILE 44 -13.478 -10.722 32.335 357 HG22 ILE 44 HG22 ILE 44 -12.937 -10.611 30.661 358 HG23 ILE 44 HG23 ILE 44 -14.483 -11.371 31.039 359 HD11 ILE 44 HD11 ILE 44 -13.348 -7.488 33.901 360 HD12 ILE 44 HD12 ILE 44 -13.323 -9.240 33.705 361 HD13 ILE 44 HD13 ILE 44 -14.855 -8.370 33.666 362 H ALA 45 HN ALA 45 -17.078 -9.529 29.591 363 HA ALA 45 HA ALA 45 -16.933 -12.189 28.744 364 HB1 ALA 45 HB1 ALA 45 -19.149 -10.193 28.215 365 HB2 ALA 45 HB2 ALA 45 -18.969 -11.149 29.686 366 HB3 ALA 45 HB3 ALA 45 -19.298 -11.948 28.147 367 H ALA 46 HN ALA 46 -16.691 -9.214 26.946 368 HA ALA 46 HA ALA 46 -17.304 -10.138 24.352 369 HB1 ALA 46 HB1 ALA 46 -17.026 -7.734 25.040 370 HB2 ALA 46 HB2 ALA 46 -16.175 -8.200 23.565 371 HB3 ALA 46 HB3 ALA 46 -15.283 -8.016 25.066 372 H SER 47 HN SER 47 -14.322 -10.135 26.252 373 HA SER 47 HA SER 47 -12.602 -11.023 24.196 374 HB2 SER 47 HB2 SER 47 -11.538 -10.217 26.121 375 HB3 SER 47 HB1 SER 47 -12.500 -11.235 27.188 376 HG SER 47 HG SER 47 -10.350 -11.910 25.494 377 H PHE 48 HN PHE 48 -14.445 -12.843 26.617 378 HA PHE 48 HA PHE 48 -13.556 -15.415 25.842 379 HB2 PHE 48 HB2 PHE 48 -16.021 -14.437 27.285 380 HB3 PHE 48 HB1 PHE 48 -15.740 -16.149 26.972 381 HD1 PHE 48 HD2 PHE 48 -13.740 -17.287 27.922 382 HD2 PHE 48 HD1 PHE 48 -14.754 -13.241 28.946 383 HE1 PHE 48 HE2 PHE 48 -12.224 -17.405 29.881 384 HE2 PHE 48 HE1 PHE 48 -13.238 -13.358 30.905 385 HZ PHE 48 HZ PHE 48 -11.974 -15.440 31.373 386 H GLU 49 HN GLU 49 -16.338 -13.453 24.846 387 HA GLU 49 HA GLU 49 -17.508 -15.424 23.168 388 HB2 GLU 49 HB2 GLU 49 -18.726 -13.435 24.014 389 HB3 GLU 49 HB1 GLU 49 -17.724 -12.408 22.986 390 HG2 GLU 49 HG2 GLU 49 -18.551 -13.525 20.985 391 HG3 GLU 49 HG1 GLU 49 -19.467 -14.668 21.965 392 H LEU 50 HN LEU 50 -15.466 -12.600 22.431 393 HA LEU 50 HA LEU 50 -15.236 -13.109 19.661 394 HB2 LEU 50 HB2 LEU 50 -13.447 -11.600 21.579 395 HB3 LEU 50 HB1 LEU 50 -13.206 -11.624 19.834 396 HG LEU 50 HG LEU 50 -15.803 -10.777 21.150 397 HD11 LEU 50 HD11 LEU 50 -13.692 -8.969 19.966 398 HD12 LEU 50 HD12 LEU 50 -13.809 -9.293 21.695 399 HD13 LEU 50 HD13 LEU 50 -15.136 -8.492 20.854 400 HD21 LEU 50 HD21 LEU 50 -15.844 -9.594 18.732 401 HD22 LEU 50 HD22 LEU 50 -16.406 -11.241 18.960 402 HD23 LEU 50 HD23 LEU 50 -14.793 -10.950 18.317 403 H ASN 51 HN ASN 51 -13.315 -14.134 22.441 404 HA ASN 51 HA ASN 51 -11.130 -15.231 21.090 405 HB2 ASN 51 HB2 ASN 51 -11.118 -14.990 23.502 406 HB3 ASN 51 HB1 ASN 51 -12.467 -16.115 23.660 407 HD21 ASN 51 HD21 ASN 51 -11.361 -17.789 24.808 408 HD22 ASN 51 HD22 ASN 51 -10.051 -18.644 24.150 409 H LYS 52 HN LYS 52 -14.156 -16.824 22.110 410 HA LYS 52 HA LYS 52 -13.547 -19.343 20.974 411 HB2 LYS 52 HB2 LYS 52 -16.171 -18.022 21.655 412 HB3 LYS 52 HB1 LYS 52 -16.046 -19.692 21.099 413 HG2 LYS 52 HG2 LYS 52 -14.410 -20.089 23.003 414 HG3 LYS 52 HG1 LYS 52 -14.841 -18.491 23.607 415 HD2 LYS 52 HD2 LYS 52 -16.865 -20.679 23.062 416 HD3 LYS 52 HD1 LYS 52 -16.153 -20.384 24.647 417 HE2 LYS 52 HE2 LYS 52 -16.967 -17.953 24.372 418 HE3 LYS 52 HE1 LYS 52 -17.949 -18.563 23.040 419 HZ1 LYS 52 HZ1 LYS 52 -18.054 -19.367 25.883 420 HZ2 LYS 52 HZ2 LYS 52 -18.810 -20.252 24.646 421 HZ3 LYS 52 HZ3 LYS 52 -19.279 -18.649 24.956 422 H LYS 53 HN LYS 53 -15.307 -16.530 19.729 423 HA LYS 53 HA LYS 53 -16.112 -17.690 17.282 424 HB2 LYS 53 HB2 LYS 53 -17.036 -15.591 18.216 425 HB3 LYS 53 HB1 LYS 53 -15.513 -14.780 17.860 426 HG2 LYS 53 HG2 LYS 53 -15.788 -15.359 15.452 427 HG3 LYS 53 HG1 LYS 53 -17.338 -16.105 15.830 428 HD2 LYS 53 HD2 LYS 53 -16.739 -13.234 16.570 429 HD3 LYS 53 HD1 LYS 53 -17.362 -13.663 14.974 430 HE2 LYS 53 HE2 LYS 53 -19.255 -14.885 16.182 431 HE3 LYS 53 HE1 LYS 53 -18.693 -14.103 17.657 432 HZ1 LYS 53 HZ1 LYS 53 -18.880 -12.197 15.608 433 HZ2 LYS 53 HZ2 LYS 53 -19.731 -12.277 17.076 434 HZ3 LYS 53 HZ3 LYS 53 -20.341 -13.054 15.695 435 H ILE 54 HN ILE 54 -13.289 -15.694 18.124 436 HA ILE 54 HA ILE 54 -12.160 -15.704 15.529 437 HB ILE 54 HB ILE 54 -10.940 -15.250 18.260 438 HG12 ILE 54 HG12 ILE 54 -11.529 -13.290 16.026 439 HG13 ILE 54 HG11 ILE 54 -12.675 -13.630 17.323 440 HG21 ILE 54 HG21 ILE 54 -9.127 -14.097 16.707 441 HG22 ILE 54 HG22 ILE 54 -9.722 -15.240 15.502 442 HG23 ILE 54 HG23 ILE 54 -9.045 -15.835 17.013 443 HD11 ILE 54 HD11 ILE 54 -9.820 -12.787 17.867 444 HD12 ILE 54 HD12 ILE 54 -11.179 -12.801 18.992 445 HD13 ILE 54 HD13 ILE 54 -11.129 -11.619 17.684 446 H ASN 55 HN ASN 55 -11.597 -17.720 18.393 447 HA ASN 55 HA ASN 55 -9.514 -19.269 17.308 448 HB2 ASN 55 HB2 ASN 55 -11.527 -19.766 19.498 449 HB3 ASN 55 HB1 ASN 55 -10.326 -20.980 19.059 450 HD21 ASN 55 HD21 ASN 55 -10.220 -19.858 21.634 451 HD22 ASN 55 HD22 ASN 55 -8.863 -18.846 21.750 452 H ASP 56 HN ASP 56 -13.027 -19.692 17.297 453 HA ASP 56 HA ASP 56 -13.084 -22.250 16.109 454 HB2 ASP 56 HB2 ASP 56 -15.080 -19.984 16.155 455 HB3 ASP 56 HB1 ASP 56 -15.424 -21.540 15.401 456 H TYR 57 HN TYR 57 -13.005 -18.999 14.739 457 HA TYR 57 HA TYR 57 -13.501 -19.626 12.060 458 HB2 TYR 57 HB2 TYR 57 -13.388 -17.317 12.970 459 HB3 TYR 57 HB1 TYR 57 -11.640 -17.488 13.127 460 HD1 TYR 57 HD1 TYR 57 -14.443 -17.570 10.667 461 HD2 TYR 57 HD2 TYR 57 -10.207 -17.168 11.258 462 HE1 TYR 57 HE1 TYR 57 -14.172 -16.932 8.286 463 HE2 TYR 57 HE2 TYR 57 -9.937 -16.529 8.877 464 HH TYR 57 HH TYR 57 -11.527 -15.443 7.074 465 H ILE 58 HN ILE 58 -10.517 -19.758 13.945 466 HA ILE 58 HA ILE 58 -8.726 -20.216 11.816 467 HB ILE 58 HB ILE 58 -8.627 -21.069 14.716 468 HG12 ILE 58 HG12 ILE 58 -7.128 -18.865 13.265 469 HG13 ILE 58 HG11 ILE 58 -8.659 -18.591 14.109 470 HG21 ILE 58 HG21 ILE 58 -6.577 -21.241 12.498 471 HG22 ILE 58 HG22 ILE 58 -7.125 -22.528 13.570 472 HG23 ILE 58 HG23 ILE 58 -6.117 -21.226 14.201 473 HD11 ILE 58 HD11 ILE 58 -6.982 -18.046 15.699 474 HD12 ILE 58 HD12 ILE 58 -6.006 -19.449 15.278 475 HD13 ILE 58 HD13 ILE 58 -7.516 -19.659 16.161 476 H ALA 59 HN ALA 59 -10.594 -22.452 13.849 477 HA ALA 59 HA ALA 59 -9.549 -24.848 12.792 478 HB1 ALA 59 HB1 ALA 59 -11.583 -25.900 13.712 479 HB2 ALA 59 HB2 ALA 59 -12.287 -24.303 13.964 480 HB3 ALA 59 HB3 ALA 59 -10.852 -24.785 14.868 481 H GLU 60 HN GLU 60 -12.157 -22.729 11.741 482 HA GLU 60 HA GLU 60 -13.162 -24.507 9.732 483 HB2 GLU 60 HB2 GLU 60 -13.483 -21.516 10.092 484 HB3 GLU 60 HB1 GLU 60 -14.384 -22.494 8.931 485 HG2 GLU 60 HG2 GLU 60 -14.372 -22.966 11.925 486 HG3 GLU 60 HG1 GLU 60 -15.643 -22.106 11.058 487 H HIS 61 HN HIS 61 -10.921 -21.769 9.745 488 HA HIS 61 HA HIS 61 -9.953 -22.621 7.074 489 HB2 HIS 61 HB2 HIS 61 -10.274 -19.730 7.855 490 HB3 HIS 61 HB1 HIS 61 -9.887 -20.399 6.270 491 HD2 HIS 61 HD2 HIS 61 -12.216 -22.378 5.564 492 HE1 HIS 61 HE1 HIS 61 -14.958 -19.557 7.096 493 HE2 HIS 61 HE2 HIS 61 -14.717 -21.632 5.653 494 HA PRO 62 HA PRO 62 -6.567 -21.904 10.218 495 HB2 PRO 62 HB2 PRO 62 -5.491 -24.430 10.149 496 HB3 PRO 62 HB1 PRO 62 -6.812 -23.968 11.240 497 HG2 PRO 62 HG2 PRO 62 -6.922 -25.470 8.665 498 HG3 PRO 62 HG1 PRO 62 -7.861 -25.709 10.150 499 HD2 PRO 62 HD2 PRO 62 -8.831 -24.419 7.916 500 HD3 PRO 62 HD1 PRO 62 -9.436 -24.127 9.556 501 H THR 63 HN THR 63 -6.786 -23.212 7.015 502 HA THR 63 HA THR 63 -3.944 -23.036 6.459 503 HB THR 63 HB THR 63 -4.873 -24.697 5.136 504 HG1 THR 63 HG1 THR 63 -4.591 -23.945 3.176 505 HG21 THR 63 HG21 THR 63 -7.132 -24.363 4.004 506 HG22 THR 63 HG22 THR 63 -7.302 -22.902 4.978 507 HG23 THR 63 HG23 THR 63 -7.166 -24.476 5.764 508 H SER 64 HN SER 64 -6.712 -20.978 6.286 509 HA SER 64 HA SER 64 -5.791 -19.186 4.281 510 HB2 SER 64 HB2 SER 64 -7.788 -18.940 6.527 511 HB3 SER 64 HB1 SER 64 -7.420 -17.584 5.466 512 HG SER 64 HG SER 64 -8.393 -20.152 4.738 513 H GLY 65 HN GLY 65 -4.625 -17.304 4.427 514 HA2 GLY 65 HA2 GLY 65 -2.864 -17.053 6.733 515 HA3 GLY 65 HA1 GLY 65 -2.760 -16.142 5.230 516 H ARG 66 HN ARG 66 -5.804 -15.689 5.638 517 HA ARG 66 HA ARG 66 -5.580 -13.094 6.768 518 HB2 ARG 66 HB2 ARG 66 -8.000 -14.798 6.135 519 HB3 ARG 66 HB1 ARG 66 -8.085 -13.107 6.628 520 HG2 ARG 66 HG2 ARG 66 -6.298 -13.866 4.316 521 HG3 ARG 66 HG1 ARG 66 -8.035 -13.735 4.051 522 HD2 ARG 66 HD2 ARG 66 -6.290 -11.555 5.238 523 HD3 ARG 66 HD1 ARG 66 -6.880 -11.596 3.583 524 HE ARG 66 HE ARG 66 -8.419 -10.945 5.960 525 HH11 ARG 66 HH21 ARG 66 -8.425 -12.001 2.667 526 HH12 ARG 66 HH22 ARG 66 -10.044 -11.469 2.353 527 HH21 ARG 66 HH11 ARG 66 -10.543 -10.244 5.560 528 HH22 ARG 66 HH12 ARG 66 -11.243 -10.474 3.992 529 H ASN 67 HN ASN 67 -6.589 -16.205 8.034 530 HA ASN 67 HA ASN 67 -7.767 -15.322 10.429 531 HB2 ASN 67 HB2 ASN 67 -7.308 -17.608 11.256 532 HB3 ASN 67 HB1 ASN 67 -8.003 -17.620 9.635 533 HD21 ASN 67 HD21 ASN 67 -6.882 -19.864 9.627 534 HD22 ASN 67 HD22 ASN 67 -5.256 -19.908 9.141 535 H GLN 68 HN GLN 68 -4.495 -15.350 9.410 536 HA GLN 68 HA GLN 68 -3.173 -15.605 11.897 537 HB2 GLN 68 HB2 GLN 68 -2.357 -14.105 9.397 538 HB3 GLN 68 HB1 GLN 68 -1.291 -14.456 10.753 539 HG2 GLN 68 HG2 GLN 68 -1.644 -16.867 10.438 540 HG3 GLN 68 HG1 GLN 68 -2.746 -16.540 9.102 541 HE21 GLN 68 HE21 GLN 68 -0.817 -18.045 8.164 542 HE22 GLN 68 HE22 GLN 68 0.429 -17.176 7.406 543 H ALA 69 HN ALA 69 -4.532 -12.820 10.183 544 HA ALA 69 HA ALA 69 -3.617 -10.933 12.186 545 HB1 ALA 69 HB1 ALA 69 -5.052 -9.331 10.872 546 HB2 ALA 69 HB2 ALA 69 -5.459 -10.672 9.802 547 HB3 ALA 69 HB3 ALA 69 -3.789 -10.123 9.932 548 H LEU 70 HN LEU 70 -6.353 -12.964 11.679 549 HA LEU 70 HA LEU 70 -8.236 -11.459 13.191 550 HB2 LEU 70 HB2 LEU 70 -8.767 -13.292 11.517 551 HB3 LEU 70 HB1 LEU 70 -8.259 -14.443 12.745 552 HG LEU 70 HG LEU 70 -9.924 -13.278 14.317 553 HD11 LEU 70 HD11 LEU 70 -11.877 -12.273 12.886 554 HD12 LEU 70 HD12 LEU 70 -10.630 -11.991 11.680 555 HD13 LEU 70 HD13 LEU 70 -10.497 -11.260 13.275 556 HD21 LEU 70 HD21 LEU 70 -11.070 -14.673 11.881 557 HD22 LEU 70 HD22 LEU 70 -11.785 -14.615 13.491 558 HD23 LEU 70 HD23 LEU 70 -10.289 -15.509 13.223 559 H THR 71 HN THR 71 -6.012 -14.088 13.949 560 HA THR 71 HA THR 71 -6.874 -14.513 16.612 561 HB THR 71 HB THR 71 -5.567 -16.206 15.536 562 HG1 THR 71 HG1 THR 71 -3.810 -15.016 17.389 563 HG21 THR 71 HG21 THR 71 -3.088 -15.653 15.084 564 HG22 THR 71 HG22 THR 71 -3.592 -13.964 15.142 565 HG23 THR 71 HG23 THR 71 -4.285 -15.055 13.940 566 H GLN 72 HN GLN 72 -4.978 -12.053 15.152 567 HA GLN 72 HA GLN 72 -3.372 -11.273 17.333 568 HB2 GLN 72 HB2 GLN 72 -4.513 -9.673 15.048 569 HB3 GLN 72 HB1 GLN 72 -3.311 -9.056 16.172 570 HG2 GLN 72 HG2 GLN 72 -2.936 -11.558 14.510 571 HG3 GLN 72 HG1 GLN 72 -2.319 -9.975 14.046 572 HE21 GLN 72 HE21 GLN 72 -1.132 -12.727 15.220 573 HE22 GLN 72 HE22 GLN 72 0.010 -12.148 16.333 574 H LEU 73 HN LEU 73 -6.721 -10.643 16.541 575 HA LEU 73 HA LEU 73 -7.176 -8.477 18.257 576 HB2 LEU 73 HB2 LEU 73 -8.898 -10.619 17.066 577 HB3 LEU 73 HB1 LEU 73 -9.601 -9.553 18.282 578 HG LEU 73 HG LEU 73 -8.060 -8.325 15.989 579 HD11 LEU 73 HD11 LEU 73 -9.538 -9.765 14.788 580 HD12 LEU 73 HD12 LEU 73 -10.299 -8.176 14.790 581 HD13 LEU 73 HD13 LEU 73 -10.874 -9.430 15.889 582 HD21 LEU 73 HD21 LEU 73 -8.856 -6.942 17.900 583 HD22 LEU 73 HD22 LEU 73 -10.500 -7.484 17.590 584 HD23 LEU 73 HD23 LEU 73 -9.663 -6.492 16.399 585 H LYS 74 HN LYS 74 -7.229 -11.945 18.837 586 HA LYS 74 HA LYS 74 -8.310 -11.919 21.423 587 HB2 LYS 74 HB2 LYS 74 -7.959 -13.972 20.085 588 HB3 LYS 74 HB1 LYS 74 -6.216 -13.803 20.302 589 HG2 LYS 74 HG2 LYS 74 -6.488 -13.987 22.744 590 HG3 LYS 74 HG1 LYS 74 -8.237 -14.107 22.547 591 HD2 LYS 74 HD2 LYS 74 -7.923 -16.171 21.207 592 HD3 LYS 74 HD1 LYS 74 -6.183 -16.052 21.459 593 HE2 LYS 74 HE2 LYS 74 -8.155 -16.172 23.749 594 HE3 LYS 74 HE1 LYS 74 -7.401 -17.611 23.061 595 HZ1 LYS 74 HZ1 LYS 74 -5.959 -17.070 24.745 596 HZ2 LYS 74 HZ2 LYS 74 -6.167 -15.395 24.551 597 HZ3 LYS 74 HZ3 LYS 74 -5.233 -16.274 23.435 598 H GLU 75 HN GLU 75 -4.926 -11.721 20.353 599 HA GLU 75 HA GLU 75 -3.868 -11.509 22.993 600 HB2 GLU 75 HB2 GLU 75 -2.644 -10.757 20.328 601 HB3 GLU 75 HB1 GLU 75 -1.769 -10.889 21.854 602 HG2 GLU 75 HG2 GLU 75 -3.362 -13.163 20.645 603 HG3 GLU 75 HG1 GLU 75 -1.631 -12.946 20.392 604 H GLN 76 HN GLN 76 -4.864 -9.191 20.553 605 HA GLN 76 HA GLN 76 -3.758 -6.890 21.749 606 HB2 GLN 76 HB2 GLN 76 -6.046 -7.319 19.848 607 HB3 GLN 76 HB1 GLN 76 -5.615 -5.709 20.404 608 HG2 GLN 76 HG2 GLN 76 -3.378 -5.943 19.516 609 HG3 GLN 76 HG1 GLN 76 -3.672 -7.620 19.086 610 HE21 GLN 76 HE21 GLN 76 -3.661 -4.492 17.818 611 HE22 GLN 76 HE22 GLN 76 -4.647 -4.765 16.463 612 H VAL 77 HN VAL 77 -6.914 -8.464 22.156 613 HA VAL 77 HA VAL 77 -8.206 -6.559 23.588 614 HB VAL 77 HB VAL 77 -8.865 -9.037 22.864 615 HG11 VAL 77 HG11 VAL 77 -7.279 -9.970 24.600 616 HG12 VAL 77 HG12 VAL 77 -8.903 -10.620 24.657 617 HG13 VAL 77 HG13 VAL 77 -8.394 -9.403 25.819 618 HG21 VAL 77 HG21 VAL 77 -10.006 -7.703 25.326 619 HG22 VAL 77 HG22 VAL 77 -10.852 -8.878 24.326 620 HG23 VAL 77 HG23 VAL 77 -10.436 -7.291 23.675 621 H THR 78 HN THR 78 -5.848 -8.864 24.791 622 HA THR 78 HA THR 78 -6.096 -8.147 27.519 623 HB THR 78 HB THR 78 -3.786 -9.259 27.654 624 HG1 THR 78 HG1 THR 78 -3.183 -10.352 25.784 625 HG21 THR 78 HG21 THR 78 -5.626 -10.598 28.242 626 HG22 THR 78 HG22 THR 78 -4.827 -11.528 26.973 627 HG23 THR 78 HG23 THR 78 -6.276 -10.593 26.603 628 H SER 79 HN SER 79 -4.064 -7.053 24.865 629 HA SER 79 HA SER 79 -2.347 -5.412 26.421 630 HB2 SER 79 HB2 SER 79 -3.090 -5.258 23.490 631 HB3 SER 79 HB1 SER 79 -1.789 -4.343 24.247 632 HG SER 79 HG SER 79 -1.795 -7.056 24.760 633 H ALA 80 HN ALA 80 -5.407 -4.828 24.738 634 HA ALA 80 HA ALA 80 -5.511 -2.054 24.904 635 HB1 ALA 80 HB1 ALA 80 -7.956 -3.740 25.391 636 HB2 ALA 80 HB2 ALA 80 -7.168 -3.761 23.816 637 HB3 ALA 80 HB3 ALA 80 -7.815 -2.252 24.457 638 H LEU 81 HN LEU 81 -6.858 -4.407 27.235 639 HA LEU 81 HA LEU 81 -7.439 -2.372 29.182 640 HB2 LEU 81 HB2 LEU 81 -7.262 -5.341 29.568 641 HB3 LEU 81 HB1 LEU 81 -8.095 -4.201 30.611 642 HG LEU 81 HG LEU 81 -8.770 -4.771 27.711 643 HD11 LEU 81 HD11 LEU 81 -10.912 -5.654 28.825 644 HD12 LEU 81 HD12 LEU 81 -9.999 -5.651 30.334 645 HD13 LEU 81 HD13 LEU 81 -9.472 -6.656 28.986 646 HD21 LEU 81 HD21 LEU 81 -9.835 -2.844 29.789 647 HD22 LEU 81 HD22 LEU 81 -10.900 -3.450 28.522 648 HD23 LEU 81 HD23 LEU 81 -9.453 -2.545 28.096 649 H GLY 82 HN GLY 82 -4.778 -4.552 28.545 650 HA2 GLY 82 HA2 GLY 82 -2.572 -4.261 29.273 651 HA3 GLY 82 HA1 GLY 82 -3.123 -3.083 30.458 652 H LEU 83 HN LEU 83 -3.837 -6.526 29.781 653 HA LEU 83 HA LEU 83 -4.178 -7.193 32.517 654 HB2 LEU 83 HB2 LEU 83 -3.846 -8.741 29.959 655 HB3 LEU 83 HB1 LEU 83 -3.742 -9.613 31.484 656 HG LEU 83 HG LEU 83 -6.060 -9.552 30.503 657 HD11 LEU 83 HD11 LEU 83 -6.321 -7.967 33.030 658 HD12 LEU 83 HD12 LEU 83 -5.327 -9.416 33.144 659 HD13 LEU 83 HD13 LEU 83 -6.996 -9.535 32.604 660 HD21 LEU 83 HD21 LEU 83 -5.702 -7.134 29.657 661 HD22 LEU 83 HD22 LEU 83 -6.079 -6.637 31.307 662 HD23 LEU 83 HD23 LEU 83 -7.269 -7.515 30.361 663 H GLU 84 HN GLU 84 -1.437 -7.439 30.330 664 HA GLU 84 HA GLU 84 0.790 -7.779 30.723 665 HB2 GLU 84 HB2 GLU 84 0.220 -5.890 32.420 666 HB3 GLU 84 HB1 GLU 84 0.296 -7.162 33.638 667 HG2 GLU 84 HG2 GLU 84 2.587 -7.707 32.989 668 HG3 GLU 84 HG1 GLU 84 2.520 -6.540 31.673 669 H HIS 85 HN HIS 85 -1.007 -10.003 30.896 670 HA HIS 85 HA HIS 85 -0.505 -11.661 33.127 671 HB2 HIS 85 HB2 HIS 85 -2.330 -12.025 31.469 672 HB3 HIS 85 HB1 HIS 85 -1.116 -12.518 30.289 673 HD2 HIS 85 HD2 HIS 85 -2.891 -13.947 33.468 674 HE1 HIS 85 HE1 HIS 85 -0.239 -16.904 32.037 675 HE2 HIS 85 HE2 HIS 85 -2.103 -16.426 33.694 676 H HIS 86 HN HIS 86 1.178 -11.237 30.049 677 HA HIS 86 HA HIS 86 2.936 -13.401 30.231 678 HB2 HIS 86 HB2 HIS 86 2.519 -11.532 28.349 679 HB3 HIS 86 HB1 HIS 86 3.940 -10.801 29.089 680 HD2 HIS 86 HD2 HIS 86 5.912 -13.273 29.541 681 HE1 HIS 86 HE1 HIS 86 5.014 -14.489 25.606 682 HE2 HIS 86 HE2 HIS 86 6.646 -14.761 27.532 683 H HIS 87 HN HIS 87 4.866 -13.735 31.234 684 HA HIS 87 HA HIS 87 5.444 -12.417 33.635 685 HB2 HIS 87 HB2 HIS 87 6.227 -14.692 33.123 686 HB3 HIS 87 HB1 HIS 87 7.307 -14.044 31.889 687 HD2 HIS 87 HD2 HIS 87 7.108 -14.314 35.789 688 HE1 HIS 87 HE1 HIS 87 10.757 -12.431 34.808 689 HE2 HIS 87 HE2 HIS 87 9.397 -13.445 36.697 690 H HIS 88 HN HIS 88 6.891 -12.053 30.407 691 HA HIS 88 HA HIS 88 7.723 -9.339 31.108 692 HB2 HIS 88 HB2 HIS 88 9.604 -11.026 31.670 693 HB3 HIS 88 HB1 HIS 88 9.771 -11.218 29.926 694 HD2 HIS 88 HD2 HIS 88 10.638 -8.626 32.693 695 HE1 HIS 88 HE1 HIS 88 11.738 -6.923 28.991 696 HE2 HIS 88 HE2 HIS 88 11.882 -6.658 31.512 697 H HIS 89 HN HIS 89 7.661 -7.980 29.396 698 HA HIS 89 HA HIS 89 6.405 -8.854 26.993 699 HB2 HIS 89 HB2 HIS 89 6.201 -6.556 27.991 700 HB3 HIS 89 HB1 HIS 89 7.856 -6.242 27.468 701 HD2 HIS 89 HD2 HIS 89 4.849 -7.852 25.389 702 HE1 HIS 89 HE1 HIS 89 6.540 -4.675 23.180 703 HE2 HIS 89 HE2 HIS 89 4.783 -6.509 23.150 704 H HIS 90 HN HIS 90 9.659 -7.479 27.559 705 HA HIS 90 HA HIS 90 10.560 -8.725 25.021 706 HB2 HIS 90 HB2 HIS 90 10.862 -6.262 25.287 707 HB3 HIS 90 HB1 HIS 90 11.914 -6.576 26.669 708 HD2 HIS 90 HD2 HIS 90 14.545 -7.085 25.964 709 HE1 HIS 90 HE1 HIS 90 13.917 -7.803 21.851 710 HE2 HIS 90 HE2 HIS 90 15.682 -7.566 23.663 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -5.438 1.387 28.839 2 H2 MET 1 HT2 MET 1 -3.939 1.632 29.603 3 H3 MET 1 HT3 MET 1 -5.197 0.836 30.424 4 HA MET 1 HA MET 1 -3.238 -0.222 28.641 5 HB2 MET 1 HB2 MET 1 -5.323 -1.374 30.511 6 HB3 MET 1 HB1 MET 1 -4.126 -2.353 29.664 7 HG2 MET 1 HG2 MET 1 -2.317 -1.013 30.711 8 HG3 MET 1 HG1 MET 1 -3.531 -0.097 31.602 9 HE1 MET 1 HE1 MET 1 -4.899 -0.777 33.357 10 HE2 MET 1 HE2 MET 1 -4.916 -2.305 34.228 11 HE3 MET 1 HE3 MET 1 -5.710 -2.188 32.662 12 H GLY 2 HN GLY 2 -5.694 1.146 27.485 13 HA2 GLY 2 HA2 GLY 2 -7.312 -0.882 26.283 14 HA3 GLY 2 HA1 GLY 2 -7.240 0.811 25.802 15 H GLN 3 HN GLN 3 -5.649 1.484 24.290 16 HA GLN 3 HA GLN 3 -4.660 1.202 22.211 17 HB2 GLN 3 HB2 GLN 3 -2.789 0.901 23.819 18 HB3 GLN 3 HB1 GLN 3 -3.089 -0.837 23.804 19 HG2 GLN 3 HG2 GLN 3 -2.618 -0.950 21.420 20 HG3 GLN 3 HG1 GLN 3 -2.456 0.804 21.336 21 HE21 GLN 3 HE21 GLN 3 -0.291 -0.846 20.538 22 HE22 GLN 3 HE22 GLN 3 0.967 -0.683 21.666 23 H ILE 4 HN ILE 4 -6.328 0.312 20.970 24 HA ILE 4 HA ILE 4 -6.060 -2.569 20.409 25 HB ILE 4 HB ILE 4 -8.621 -1.097 20.820 26 HG12 ILE 4 HG12 ILE 4 -7.554 -3.549 22.227 27 HG13 ILE 4 HG11 ILE 4 -7.369 -1.916 22.863 28 HG21 ILE 4 HG21 ILE 4 -8.012 -3.821 19.693 29 HG22 ILE 4 HG22 ILE 4 -9.002 -2.548 18.978 30 HG23 ILE 4 HG23 ILE 4 -9.587 -3.435 20.383 31 HD11 ILE 4 HD11 ILE 4 -9.329 -2.955 23.875 32 HD12 ILE 4 HD12 ILE 4 -9.989 -3.319 22.280 33 HD13 ILE 4 HD13 ILE 4 -9.842 -1.644 22.813 34 H PHE 5 HN PHE 5 -6.837 -3.191 18.297 35 HA PHE 5 HA PHE 5 -6.089 -1.300 16.287 36 HB2 PHE 5 HB2 PHE 5 -7.258 -4.084 16.203 37 HB3 PHE 5 HB1 PHE 5 -6.945 -3.156 14.736 38 HD1 PHE 5 HD1 PHE 5 -4.597 -2.301 14.296 39 HD2 PHE 5 HD2 PHE 5 -5.484 -5.169 17.368 40 HE1 PHE 5 HE1 PHE 5 -2.203 -2.941 14.389 41 HE2 PHE 5 HE2 PHE 5 -3.090 -5.808 17.461 42 HZ PHE 5 HZ PHE 5 -1.450 -4.694 15.972 43 H THR 6 HN THR 6 -7.329 -0.140 14.890 44 HA THR 6 HA THR 6 -10.034 0.427 15.694 45 HB THR 6 HB THR 6 -8.677 1.373 13.172 46 HG1 THR 6 HG1 THR 6 -8.539 3.082 15.241 47 HG21 THR 6 HG21 THR 6 -10.762 2.595 15.000 48 HG22 THR 6 HG22 THR 6 -11.080 1.861 13.428 49 HG23 THR 6 HG23 THR 6 -10.119 3.337 13.533 50 H VAL 7 HN VAL 7 -11.919 0.000 14.586 51 HA VAL 7 HA VAL 7 -12.070 -2.432 13.162 52 HB VAL 7 HB VAL 7 -14.157 -0.253 13.121 53 HG11 VAL 7 HG11 VAL 7 -15.694 -2.026 12.762 54 HG12 VAL 7 HG12 VAL 7 -14.529 -3.250 13.257 55 HG13 VAL 7 HG13 VAL 7 -14.330 -2.419 11.716 56 HG21 VAL 7 HG21 VAL 7 -13.400 -2.216 15.295 57 HG22 VAL 7 HG22 VAL 7 -15.004 -1.489 15.204 58 HG23 VAL 7 HG23 VAL 7 -13.584 -0.469 15.430 59 H GLN 8 HN GLN 8 -12.140 0.946 12.105 60 HA GLN 8 HA GLN 8 -12.778 0.627 9.431 61 HB2 GLN 8 HB2 GLN 8 -10.856 2.561 10.740 62 HB3 GLN 8 HB1 GLN 8 -11.385 2.690 9.062 63 HG2 GLN 8 HG2 GLN 8 -13.719 2.858 9.784 64 HG3 GLN 8 HG1 GLN 8 -13.232 2.658 11.466 65 HE21 GLN 8 HE21 GLN 8 -14.415 5.033 9.750 66 HE22 GLN 8 HE22 GLN 8 -13.445 6.342 10.226 67 H GLU 9 HN GLU 9 -9.724 0.028 11.074 68 HA GLU 9 HA GLU 9 -8.103 -0.222 8.759 69 HB2 GLU 9 HB2 GLU 9 -7.217 0.066 11.064 70 HB3 GLU 9 HB1 GLU 9 -7.757 -1.568 11.448 71 HG2 GLU 9 HG2 GLU 9 -6.310 -2.490 9.704 72 HG3 GLU 9 HG1 GLU 9 -5.812 -0.866 9.231 73 H LEU 10 HN LEU 10 -9.991 -2.559 10.641 74 HA LEU 10 HA LEU 10 -9.149 -4.866 9.216 75 HB2 LEU 10 HB2 LEU 10 -11.453 -4.216 11.033 76 HB3 LEU 10 HB1 LEU 10 -11.463 -5.734 10.135 77 HG LEU 10 HG LEU 10 -9.253 -6.306 11.070 78 HD11 LEU 10 HD11 LEU 10 -8.293 -4.129 11.412 79 HD12 LEU 10 HD12 LEU 10 -8.441 -4.878 13.001 80 HD13 LEU 10 HD13 LEU 10 -9.605 -3.656 12.491 81 HD21 LEU 10 HD21 LEU 10 -11.085 -5.495 13.335 82 HD22 LEU 10 HD22 LEU 10 -10.034 -6.908 13.232 83 HD23 LEU 10 HD23 LEU 10 -11.487 -6.818 12.240 84 H LYS 11 HN LYS 11 -11.788 -2.569 8.747 85 HA LYS 11 HA LYS 11 -13.210 -3.981 6.783 86 HB2 LYS 11 HB2 LYS 11 -12.872 -1.010 7.230 87 HB3 LYS 11 HB1 LYS 11 -14.012 -1.702 6.075 88 HG2 LYS 11 HG2 LYS 11 -15.077 -2.979 7.914 89 HG3 LYS 11 HG1 LYS 11 -13.963 -2.233 9.061 90 HD2 LYS 11 HD2 LYS 11 -14.826 -0.001 8.445 91 HD3 LYS 11 HD1 LYS 11 -15.948 -0.752 7.310 92 HE2 LYS 11 HE2 LYS 11 -16.987 -2.002 9.180 93 HE3 LYS 11 HE1 LYS 11 -15.885 -1.212 10.308 94 HZ1 LYS 11 HZ1 LYS 11 -17.184 0.686 8.642 95 HZ2 LYS 11 HZ2 LYS 11 -17.153 0.587 10.337 96 HZ3 LYS 11 HZ3 LYS 11 -18.323 -0.272 9.454 97 H GLU 12 HN GLU 12 -10.475 -1.735 6.500 98 HA GLU 12 HA GLU 12 -10.405 -1.670 3.667 99 HB2 GLU 12 HB2 GLU 12 -8.208 -1.230 5.706 100 HB3 GLU 12 HB1 GLU 12 -8.078 -0.843 3.991 101 HG2 GLU 12 HG2 GLU 12 -10.190 0.290 5.846 102 HG3 GLU 12 HG1 GLU 12 -8.712 1.132 5.389 103 H ARG 13 HN ARG 13 -8.556 -3.593 6.025 104 HA ARG 13 HA ARG 13 -7.172 -5.108 4.038 105 HB2 ARG 13 HB2 ARG 13 -6.304 -4.789 6.334 106 HB3 ARG 13 HB1 ARG 13 -7.633 -5.769 6.956 107 HG2 ARG 13 HG2 ARG 13 -6.874 -7.695 5.669 108 HG3 ARG 13 HG1 ARG 13 -5.607 -6.727 4.913 109 HD2 ARG 13 HD2 ARG 13 -4.668 -8.050 6.750 110 HD3 ARG 13 HD1 ARG 13 -4.599 -6.333 7.139 111 HE ARG 13 HE ARG 13 -6.182 -6.683 8.824 112 HH11 ARG 13 HH21 ARG 13 -5.834 -9.454 6.783 113 HH12 ARG 13 HH22 ARG 13 -6.746 -10.502 7.815 114 HH21 ARG 13 HH11 ARG 13 -7.377 -8.049 10.185 115 HH22 ARG 13 HH12 ARG 13 -7.620 -9.706 9.744 116 H ALA 14 HN ALA 14 -10.148 -5.534 5.842 117 HA ALA 14 HA ALA 14 -10.573 -8.261 5.125 118 HB1 ALA 14 HB1 ALA 14 -12.887 -7.859 5.911 119 HB2 ALA 14 HB2 ALA 14 -12.532 -6.136 6.029 120 HB3 ALA 14 HB3 ALA 14 -11.688 -7.284 7.067 121 H LYS 15 HN LYS 15 -10.694 -5.414 3.337 122 HA LYS 15 HA LYS 15 -12.912 -5.911 1.645 123 HB2 LYS 15 HB2 LYS 15 -11.768 -3.721 1.795 124 HB3 LYS 15 HB1 LYS 15 -10.358 -4.423 1.006 125 HG2 LYS 15 HG2 LYS 15 -11.701 -4.941 -0.984 126 HG3 LYS 15 HG1 LYS 15 -13.140 -4.297 -0.192 127 HD2 LYS 15 HD2 LYS 15 -12.053 -2.085 -0.025 128 HD3 LYS 15 HD1 LYS 15 -10.624 -2.731 -0.836 129 HE2 LYS 15 HE2 LYS 15 -11.974 -3.269 -2.812 130 HE3 LYS 15 HE1 LYS 15 -13.415 -2.651 -2.007 131 HZ1 LYS 15 HZ1 LYS 15 -12.238 -0.491 -1.805 132 HZ2 LYS 15 HZ2 LYS 15 -12.564 -0.947 -3.408 133 HZ3 LYS 15 HZ3 LYS 15 -10.996 -1.115 -2.777 134 H VAL 16 HN VAL 16 -9.439 -6.660 1.300 135 HA VAL 16 HA VAL 16 -8.360 -7.825 -0.433 136 HB VAL 16 HB VAL 16 -9.215 -10.310 -0.245 137 HG11 VAL 16 HG11 VAL 16 -8.172 -10.421 2.084 138 HG12 VAL 16 HG12 VAL 16 -8.051 -8.664 2.010 139 HG13 VAL 16 HG13 VAL 16 -7.185 -9.655 0.839 140 HG21 VAL 16 HG21 VAL 16 -11.438 -9.585 0.685 141 HG22 VAL 16 HG22 VAL 16 -10.594 -9.016 2.121 142 HG23 VAL 16 HG23 VAL 16 -10.587 -10.730 1.717 143 H PHE 17 HN PHE 17 -10.893 -10.024 -0.959 144 HA PHE 17 HA PHE 17 -11.442 -8.847 -3.625 145 HB2 PHE 17 HB2 PHE 17 -11.471 -11.721 -2.681 146 HB3 PHE 17 HB1 PHE 17 -12.021 -11.190 -4.272 147 HD1 PHE 17 HD1 PHE 17 -10.435 -10.199 -5.891 148 HD2 PHE 17 HD2 PHE 17 -9.117 -11.766 -2.115 149 HE1 PHE 17 HE1 PHE 17 -8.096 -10.211 -6.713 150 HE2 PHE 17 HE2 PHE 17 -6.777 -11.779 -2.938 151 HZ PHE 17 HZ PHE 17 -6.267 -11.002 -5.237 152 H ALA 18 HN ALA 18 -13.399 -8.026 -3.859 153 HA ALA 18 HA ALA 18 -15.621 -7.545 -3.514 154 HB1 ALA 18 HB1 ALA 18 -15.921 -9.699 -4.587 155 HB2 ALA 18 HB2 ALA 18 -17.098 -9.530 -3.284 156 HB3 ALA 18 HB3 ALA 18 -15.664 -10.532 -3.054 157 H LYS 19 HN LYS 19 -17.500 -7.822 -1.903 158 HA LYS 19 HA LYS 19 -16.369 -7.357 0.731 159 HB2 LYS 19 HB2 LYS 19 -18.968 -6.756 -0.609 160 HB3 LYS 19 HB1 LYS 19 -18.985 -6.897 1.146 161 HG2 LYS 19 HG2 LYS 19 -18.582 -4.567 0.488 162 HG3 LYS 19 HG1 LYS 19 -17.153 -5.229 1.284 163 HD2 LYS 19 HD2 LYS 19 -16.084 -5.640 -0.859 164 HD3 LYS 19 HD1 LYS 19 -17.543 -5.144 -1.720 165 HE2 LYS 19 HE2 LYS 19 -16.044 -3.322 0.175 166 HE3 LYS 19 HE1 LYS 19 -15.737 -3.369 -1.562 167 HZ1 LYS 19 HZ1 LYS 19 -18.127 -2.457 -0.121 168 HZ2 LYS 19 HZ2 LYS 19 -18.302 -3.088 -1.688 169 HZ3 LYS 19 HZ3 LYS 19 -17.313 -1.733 -1.419 170 HA PRO 20 HA PRO 20 -17.335 -11.181 2.710 171 HB2 PRO 20 HB2 PRO 20 -19.050 -9.648 4.635 172 HB3 PRO 20 HB1 PRO 20 -17.727 -10.783 4.966 173 HG2 PRO 20 HG2 PRO 20 -17.421 -8.130 5.211 174 HG3 PRO 20 HG1 PRO 20 -16.104 -9.186 4.663 175 HD2 PRO 20 HD2 PRO 20 -17.746 -7.264 3.083 176 HD3 PRO 20 HD1 PRO 20 -16.091 -7.848 2.808 177 H ILE 21 HN ILE 21 -18.844 -12.738 2.468 178 HA ILE 21 HA ILE 21 -21.311 -12.112 1.113 179 HB ILE 21 HB ILE 21 -21.555 -14.469 0.820 180 HG12 ILE 21 HG12 ILE 21 -21.117 -15.231 3.124 181 HG13 ILE 21 HG11 ILE 21 -20.106 -16.112 1.992 182 HG21 ILE 21 HG21 ILE 21 -18.621 -13.716 0.746 183 HG22 ILE 21 HG22 ILE 21 -19.792 -13.488 -0.551 184 HG23 ILE 21 HG23 ILE 21 -19.318 -15.116 -0.066 185 HD11 ILE 21 HD11 ILE 21 -19.279 -13.881 3.859 186 HD12 ILE 21 HD12 ILE 21 -18.273 -14.382 2.504 187 HD13 ILE 21 HD13 ILE 21 -18.659 -15.520 3.781 188 H GLY 22 HN GLY 22 -23.381 -12.300 1.895 189 HA2 GLY 22 HA2 GLY 22 -25.092 -12.653 3.424 190 HA3 GLY 22 HA1 GLY 22 -23.930 -13.438 4.487 191 H ALA 23 HN ALA 23 -22.176 -10.960 4.120 192 HA ALA 23 HA ALA 23 -21.697 -9.108 5.396 193 HB1 ALA 23 HB1 ALA 23 -23.513 -8.261 3.850 194 HB2 ALA 23 HB2 ALA 23 -23.347 -7.374 5.365 195 HB3 ALA 23 HB3 ALA 23 -24.655 -8.540 5.165 196 H SER 24 HN SER 24 -23.268 -11.638 6.605 197 HA SER 24 HA SER 24 -24.261 -10.519 9.089 198 HB2 SER 24 HB2 SER 24 -23.961 -13.315 8.007 199 HB3 SER 24 HB1 SER 24 -24.421 -13.019 9.682 200 HG SER 24 HG SER 24 -25.938 -12.933 7.502 201 H TYR 25 HN TYR 25 -21.261 -11.569 7.845 202 HA TYR 25 HA TYR 25 -20.079 -12.422 10.319 203 HB2 TYR 25 HB2 TYR 25 -18.835 -11.606 7.685 204 HB3 TYR 25 HB1 TYR 25 -17.945 -12.287 9.046 205 HD1 TYR 25 HD2 TYR 25 -20.561 -12.959 6.512 206 HD2 TYR 25 HD1 TYR 25 -18.085 -14.627 9.601 207 HE1 TYR 25 HE2 TYR 25 -21.188 -15.245 5.781 208 HE2 TYR 25 HE1 TYR 25 -18.713 -16.912 8.870 209 HH TYR 25 HH TYR 25 -20.766 -17.429 6.014 210 H GLN 26 HN GLN 26 -20.761 -9.394 8.894 211 HA GLN 26 HA GLN 26 -18.684 -7.772 9.799 212 HB2 GLN 26 HB2 GLN 26 -20.223 -5.929 9.597 213 HB3 GLN 26 HB1 GLN 26 -20.589 -7.077 8.307 214 HG2 GLN 26 HG2 GLN 26 -22.347 -8.074 9.852 215 HG3 GLN 26 HG1 GLN 26 -22.087 -6.693 10.912 216 HE21 GLN 26 HE21 GLN 26 -24.473 -6.281 10.334 217 HE22 GLN 26 HE22 GLN 26 -24.788 -5.394 8.921 218 H GLY 27 HN GLY 27 -20.985 -9.528 11.602 219 HA2 GLY 27 HA2 GLY 27 -21.421 -7.962 13.861 220 HA3 GLY 27 HA1 GLY 27 -21.346 -9.721 13.868 221 H ILE 28 HN ILE 28 -18.570 -9.731 12.866 222 HA ILE 28 HA ILE 28 -17.230 -9.690 15.382 223 HB ILE 28 HB ILE 28 -16.663 -11.209 13.457 224 HG12 ILE 28 HG12 ILE 28 -14.334 -9.508 14.394 225 HG13 ILE 28 HG11 ILE 28 -15.129 -10.708 15.413 226 HG21 ILE 28 HG21 ILE 28 -15.451 -10.399 11.587 227 HG22 ILE 28 HG22 ILE 28 -15.139 -8.843 12.357 228 HG23 ILE 28 HG23 ILE 28 -16.762 -9.240 11.794 229 HD11 ILE 28 HD11 ILE 28 -13.219 -11.777 14.400 230 HD12 ILE 28 HD12 ILE 28 -13.682 -11.200 12.799 231 HD13 ILE 28 HD13 ILE 28 -14.661 -12.419 13.615 232 H LEU 29 HN LEU 29 -17.710 -7.359 12.869 233 HA LEU 29 HA LEU 29 -15.521 -5.637 13.769 234 HB2 LEU 29 HB2 LEU 29 -17.646 -5.201 11.654 235 HB3 LEU 29 HB1 LEU 29 -16.250 -4.171 11.933 236 HG LEU 29 HG LEU 29 -16.126 -7.088 11.173 237 HD11 LEU 29 HD11 LEU 29 -15.458 -6.354 8.975 238 HD12 LEU 29 HD12 LEU 29 -15.437 -4.670 9.496 239 HD13 LEU 29 HD13 LEU 29 -16.968 -5.538 9.382 240 HD21 LEU 29 HD21 LEU 29 -14.113 -6.733 12.294 241 HD22 LEU 29 HD22 LEU 29 -14.041 -5.032 11.838 242 HD23 LEU 29 HD23 LEU 29 -13.666 -6.278 10.655 243 H ASP 30 HN ASP 30 -19.063 -5.683 13.725 244 HA ASP 30 HA ASP 30 -19.443 -3.134 14.881 245 HB2 ASP 30 HB2 ASP 30 -21.147 -5.622 14.814 246 HB3 ASP 30 HB1 ASP 30 -21.687 -4.127 15.575 247 H GLN 31 HN GLN 31 -18.896 -6.321 16.286 248 HA GLN 31 HA GLN 31 -19.533 -5.681 18.953 249 HB2 GLN 31 HB2 GLN 31 -19.211 -8.001 18.020 250 HB3 GLN 31 HB1 GLN 31 -17.476 -7.698 18.032 251 HG2 GLN 31 HG2 GLN 31 -18.056 -8.862 20.070 252 HG3 GLN 31 HG1 GLN 31 -17.641 -7.201 20.486 253 HE21 GLN 31 HE21 GLN 31 -19.013 -6.871 22.294 254 HE22 GLN 31 HE22 GLN 31 -20.702 -7.019 22.225 255 H LEU 32 HN LEU 32 -16.639 -5.185 17.038 256 HA LEU 32 HA LEU 32 -14.820 -4.684 19.131 257 HB2 LEU 32 HB2 LEU 32 -14.942 -3.661 16.295 258 HB3 LEU 32 HB1 LEU 32 -13.594 -3.328 17.371 259 HG LEU 32 HG LEU 32 -14.578 -6.119 16.691 260 HD11 LEU 32 HD11 LEU 32 -12.805 -6.301 15.112 261 HD12 LEU 32 HD12 LEU 32 -12.077 -4.784 15.639 262 HD13 LEU 32 HD13 LEU 32 -13.599 -4.771 14.755 263 HD21 LEU 32 HD21 LEU 32 -12.385 -5.008 18.417 264 HD22 LEU 32 HD22 LEU 32 -12.055 -6.484 17.525 265 HD23 LEU 32 HD23 LEU 32 -13.393 -6.435 18.658 266 H ASP 33 HN ASP 33 -17.094 -2.574 17.438 267 HA ASP 33 HA ASP 33 -16.250 -0.144 18.597 268 HB2 ASP 33 HB2 ASP 33 -18.892 -1.069 17.471 269 HB3 ASP 33 HB1 ASP 33 -18.652 0.568 18.082 270 H LEU 34 HN LEU 34 -18.441 -2.663 19.702 271 HA LEU 34 HA LEU 34 -19.529 -1.248 21.906 272 HB2 LEU 34 HB2 LEU 34 -19.397 -4.115 21.054 273 HB3 LEU 34 HB1 LEU 34 -19.811 -3.785 22.737 274 HG LEU 34 HG LEU 34 -21.623 -2.259 21.961 275 HD11 LEU 34 HD11 LEU 34 -20.648 -1.659 19.784 276 HD12 LEU 34 HD12 LEU 34 -22.261 -2.337 19.572 277 HD13 LEU 34 HD13 LEU 34 -20.839 -3.323 19.235 278 HD21 LEU 34 HD21 LEU 34 -23.137 -4.027 21.271 279 HD22 LEU 34 HD22 LEU 34 -22.002 -4.694 22.445 280 HD23 LEU 34 HD23 LEU 34 -21.787 -5.022 20.725 281 H VAL 35 HN VAL 35 -16.569 -3.048 21.457 282 HA VAL 35 HA VAL 35 -15.885 -3.490 24.142 283 HB VAL 35 HB VAL 35 -14.078 -2.939 21.781 284 HG11 VAL 35 HG11 VAL 35 -12.754 -2.666 23.728 285 HG12 VAL 35 HG12 VAL 35 -12.476 -4.333 23.222 286 HG13 VAL 35 HG13 VAL 35 -13.570 -3.990 24.565 287 HG21 VAL 35 HG21 VAL 35 -14.061 -5.284 21.424 288 HG22 VAL 35 HG22 VAL 35 -15.757 -4.897 21.702 289 HG23 VAL 35 HG23 VAL 35 -14.795 -5.610 22.993 290 H HIS 36 HN HIS 36 -15.292 -0.697 22.031 291 HA HIS 36 HA HIS 36 -13.785 0.760 23.976 292 HB2 HIS 36 HB2 HIS 36 -13.598 1.195 21.555 293 HB3 HIS 36 HB1 HIS 36 -15.270 1.756 21.532 294 HD2 HIS 36 HD2 HIS 36 -15.362 4.495 21.796 295 HE1 HIS 36 HE1 HIS 36 -11.843 5.014 24.069 296 HE2 HIS 36 HE2 HIS 36 -13.785 6.218 22.963 297 H GLN 37 HN GLN 37 -17.195 0.684 23.022 298 HA GLN 37 HA GLN 37 -17.900 2.860 24.804 299 HB2 GLN 37 HB2 GLN 37 -19.099 2.397 22.648 300 HB3 GLN 37 HB1 GLN 37 -19.718 0.911 23.366 301 HG2 GLN 37 HG2 GLN 37 -21.394 2.650 23.623 302 HG3 GLN 37 HG1 GLN 37 -20.724 2.284 25.209 303 HE21 GLN 37 HE21 GLN 37 -20.874 4.338 26.218 304 HE22 GLN 37 HE22 GLN 37 -20.127 5.736 25.611 305 H ALA 38 HN ALA 38 -17.714 -0.600 24.925 306 HA ALA 38 HA ALA 38 -19.440 -0.938 27.199 307 HB1 ALA 38 HB1 ALA 38 -19.143 -2.805 25.703 308 HB2 ALA 38 HB2 ALA 38 -18.441 -3.228 27.263 309 HB3 ALA 38 HB3 ALA 38 -17.393 -2.761 25.927 310 H LYS 39 HN LYS 39 -18.725 -1.684 29.294 311 HA LYS 39 HA LYS 39 -15.969 -1.242 30.059 312 HB2 LYS 39 HB2 LYS 39 -18.053 0.789 30.498 313 HB3 LYS 39 HB1 LYS 39 -17.226 0.341 31.984 314 HG2 LYS 39 HG2 LYS 39 -15.696 1.040 29.472 315 HG3 LYS 39 HG1 LYS 39 -16.216 2.274 30.610 316 HD2 LYS 39 HD2 LYS 39 -15.036 1.018 32.430 317 HD3 LYS 39 HD1 LYS 39 -14.418 -0.099 31.215 318 HE2 LYS 39 HE2 LYS 39 -12.708 1.533 31.554 319 HE3 LYS 39 HE1 LYS 39 -13.467 1.924 30.010 320 HZ1 LYS 39 HZ1 LYS 39 -14.974 3.413 31.423 321 HZ2 LYS 39 HZ2 LYS 39 -13.392 3.946 31.105 322 HZ3 LYS 39 HZ3 LYS 39 -13.776 3.269 32.615 323 H GLY 40 HN GLY 40 -15.421 -2.158 32.014 324 HA2 GLY 40 HA2 GLY 40 -15.588 -3.576 33.814 325 HA3 GLY 40 HA1 GLY 40 -17.289 -3.133 33.913 326 H ARG 41 HN ARG 41 -18.472 -4.919 33.916 327 HA ARG 41 HA ARG 41 -17.680 -7.424 32.898 328 HB2 ARG 41 HB2 ARG 41 -20.532 -6.516 33.299 329 HB3 ARG 41 HB1 ARG 41 -19.897 -8.155 33.389 330 HG2 ARG 41 HG2 ARG 41 -19.746 -7.796 35.646 331 HG3 ARG 41 HG1 ARG 41 -18.319 -6.838 35.266 332 HD2 ARG 41 HD2 ARG 41 -19.695 -5.425 36.599 333 HD3 ARG 41 HD1 ARG 41 -19.917 -4.860 34.944 334 HE ARG 41 HE ARG 41 -21.862 -6.838 35.645 335 HH11 ARG 41 HH21 ARG 41 -20.942 -3.524 35.997 336 HH12 ARG 41 HH22 ARG 41 -22.560 -2.958 36.243 337 HH21 ARG 41 HH11 ARG 41 -23.987 -6.106 35.962 338 HH22 ARG 41 HH12 ARG 41 -24.285 -4.421 36.224 339 H ASP 42 HN ASP 42 -19.485 -4.761 31.484 340 HA ASP 42 HA ASP 42 -20.499 -6.107 29.224 341 HB2 ASP 42 HB2 ASP 42 -19.788 -3.216 29.727 342 HB3 ASP 42 HB1 ASP 42 -20.511 -3.767 28.216 343 H GLN 43 HN GLN 43 -17.424 -4.427 29.797 344 HA GLN 43 HA GLN 43 -16.454 -4.629 27.139 345 HB2 GLN 43 HB2 GLN 43 -15.516 -3.075 28.788 346 HB3 GLN 43 HB1 GLN 43 -14.898 -4.434 29.724 347 HG2 GLN 43 HG2 GLN 43 -13.458 -5.107 27.899 348 HG3 GLN 43 HG1 GLN 43 -14.181 -3.905 26.829 349 HE21 GLN 43 HE21 GLN 43 -11.372 -3.895 27.345 350 HE22 GLN 43 HE22 GLN 43 -10.997 -2.504 28.243 351 H ILE 44 HN ILE 44 -16.132 -6.691 29.988 352 HA ILE 44 HA ILE 44 -14.296 -8.543 28.892 353 HB ILE 44 HB ILE 44 -16.355 -8.848 31.090 354 HG12 ILE 44 HG12 ILE 44 -13.341 -8.585 31.249 355 HG13 ILE 44 HG11 ILE 44 -14.431 -7.195 31.351 356 HG21 ILE 44 HG21 ILE 44 -14.169 -10.696 30.101 357 HG22 ILE 44 HG22 ILE 44 -15.878 -11.067 30.323 358 HG23 ILE 44 HG23 ILE 44 -14.842 -10.814 31.727 359 HD11 ILE 44 HD11 ILE 44 -15.457 -8.031 33.341 360 HD12 ILE 44 HD12 ILE 44 -13.720 -8.219 33.582 361 HD13 ILE 44 HD13 ILE 44 -14.707 -9.614 33.147 362 H ALA 45 HN ALA 45 -17.841 -8.469 28.998 363 HA ALA 45 HA ALA 45 -18.405 -10.982 27.967 364 HB1 ALA 45 HB1 ALA 45 -20.500 -9.937 27.087 365 HB2 ALA 45 HB2 ALA 45 -19.835 -8.355 27.496 366 HB3 ALA 45 HB3 ALA 45 -20.170 -9.528 28.770 367 H ALA 46 HN ALA 46 -17.623 -7.988 26.220 368 HA ALA 46 HA ALA 46 -18.004 -8.990 23.605 369 HB1 ALA 46 HB1 ALA 46 -17.794 -6.575 24.211 370 HB2 ALA 46 HB2 ALA 46 -16.737 -7.057 22.884 371 HB3 ALA 46 HB3 ALA 46 -16.076 -6.840 24.505 372 H SER 47 HN SER 47 -15.214 -8.934 25.780 373 HA SER 47 HA SER 47 -13.312 -9.877 23.943 374 HB2 SER 47 HB2 SER 47 -13.426 -10.216 26.942 375 HB3 SER 47 HB1 SER 47 -12.016 -10.565 25.947 376 HG SER 47 HG SER 47 -13.357 -8.065 25.974 377 H PHE 48 HN PHE 48 -15.451 -11.597 26.175 378 HA PHE 48 HA PHE 48 -14.475 -14.194 25.692 379 HB2 PHE 48 HB2 PHE 48 -15.937 -13.692 27.582 380 HB3 PHE 48 HB1 PHE 48 -17.253 -13.283 26.481 381 HD1 PHE 48 HD2 PHE 48 -14.973 -16.063 27.495 382 HD2 PHE 48 HD1 PHE 48 -18.673 -14.965 25.608 383 HE1 PHE 48 HE2 PHE 48 -15.631 -18.452 27.394 384 HE2 PHE 48 HE1 PHE 48 -19.329 -17.354 25.507 385 HZ PHE 48 HZ PHE 48 -17.809 -19.097 26.399 386 H GLU 49 HN GLU 49 -17.134 -12.374 24.180 387 HA GLU 49 HA GLU 49 -17.857 -14.455 22.369 388 HB2 GLU 49 HB2 GLU 49 -19.321 -12.518 23.065 389 HB3 GLU 49 HB1 GLU 49 -18.341 -11.490 22.019 390 HG2 GLU 49 HG2 GLU 49 -20.233 -12.189 20.717 391 HG3 GLU 49 HG1 GLU 49 -18.848 -13.111 20.135 392 H LEU 50 HN LEU 50 -15.805 -11.578 22.111 393 HA LEU 50 HA LEU 50 -15.210 -11.798 19.364 394 HB2 LEU 50 HB2 LEU 50 -13.801 -10.512 21.695 395 HB3 LEU 50 HB1 LEU 50 -13.096 -10.480 20.082 396 HG LEU 50 HG LEU 50 -15.925 -9.574 20.658 397 HD11 LEU 50 HD11 LEU 50 -13.366 -7.951 20.613 398 HD12 LEU 50 HD12 LEU 50 -14.470 -8.163 21.972 399 HD13 LEU 50 HD13 LEU 50 -14.985 -7.251 20.555 400 HD21 LEU 50 HD21 LEU 50 -15.240 -8.179 18.485 401 HD22 LEU 50 HD22 LEU 50 -15.819 -9.832 18.341 402 HD23 LEU 50 HD23 LEU 50 -14.091 -9.495 18.269 403 H ASN 51 HN ASN 51 -13.688 -13.185 22.229 404 HA ASN 51 HA ASN 51 -11.385 -14.222 21.024 405 HB2 ASN 51 HB2 ASN 51 -13.038 -15.130 23.382 406 HB3 ASN 51 HB1 ASN 51 -11.556 -15.958 22.903 407 HD21 ASN 51 HD21 ASN 51 -11.654 -14.693 25.422 408 HD22 ASN 51 HD22 ASN 51 -10.652 -13.323 25.398 409 H LYS 52 HN LYS 52 -14.648 -15.589 21.342 410 HA LYS 52 HA LYS 52 -14.066 -18.124 20.230 411 HB2 LYS 52 HB2 LYS 52 -16.653 -16.551 20.263 412 HB3 LYS 52 HB1 LYS 52 -16.519 -18.260 19.851 413 HG2 LYS 52 HG2 LYS 52 -15.539 -17.093 22.468 414 HG3 LYS 52 HG1 LYS 52 -17.152 -17.762 22.265 415 HD2 LYS 52 HD2 LYS 52 -16.306 -19.830 22.712 416 HD3 LYS 52 HD1 LYS 52 -15.377 -19.747 21.225 417 HE2 LYS 52 HE2 LYS 52 -13.581 -18.530 22.494 418 HE3 LYS 52 HE1 LYS 52 -14.500 -18.818 23.972 419 HZ1 LYS 52 HZ1 LYS 52 -14.089 -21.156 22.327 420 HZ2 LYS 52 HZ2 LYS 52 -13.934 -20.966 24.008 421 HZ3 LYS 52 HZ3 LYS 52 -12.667 -20.500 22.976 422 H LYS 53 HN LYS 53 -15.261 -15.113 18.790 423 HA LYS 53 HA LYS 53 -15.556 -16.107 16.161 424 HB2 LYS 53 HB2 LYS 53 -15.132 -13.319 17.241 425 HB3 LYS 53 HB1 LYS 53 -15.380 -13.648 15.529 426 HG2 LYS 53 HG2 LYS 53 -17.525 -14.740 16.051 427 HG3 LYS 53 HG1 LYS 53 -17.274 -14.405 17.766 428 HD2 LYS 53 HD2 LYS 53 -17.173 -11.974 17.248 429 HD3 LYS 53 HD1 LYS 53 -17.524 -12.341 15.558 430 HE2 LYS 53 HE2 LYS 53 -19.302 -13.186 17.845 431 HE3 LYS 53 HE1 LYS 53 -19.538 -11.694 16.942 432 HZ1 LYS 53 HZ1 LYS 53 -20.156 -14.393 16.202 433 HZ2 LYS 53 HZ2 LYS 53 -19.252 -13.587 15.011 434 HZ3 LYS 53 HZ3 LYS 53 -20.727 -12.937 15.547 435 H ILE 54 HN ILE 54 -12.855 -14.458 17.783 436 HA ILE 54 HA ILE 54 -11.168 -14.370 15.500 437 HB ILE 54 HB ILE 54 -10.540 -14.307 18.462 438 HG12 ILE 54 HG12 ILE 54 -10.536 -12.062 16.429 439 HG13 ILE 54 HG11 ILE 54 -11.953 -12.461 17.400 440 HG21 ILE 54 HG21 ILE 54 -8.802 -13.899 16.016 441 HG22 ILE 54 HG22 ILE 54 -8.514 -14.974 17.388 442 HG23 ILE 54 HG23 ILE 54 -8.378 -13.223 17.589 443 HD11 ILE 54 HD11 ILE 54 -10.712 -10.694 18.523 444 HD12 ILE 54 HD12 ILE 54 -9.226 -11.640 18.440 445 HD13 ILE 54 HD13 ILE 54 -10.558 -12.180 19.461 446 H ASN 55 HN ASN 55 -11.378 -16.623 18.250 447 HA ASN 55 HA ASN 55 -9.279 -18.321 17.401 448 HB2 ASN 55 HB2 ASN 55 -10.109 -18.354 19.698 449 HB3 ASN 55 HB1 ASN 55 -11.680 -18.928 19.142 450 HD21 ASN 55 HD21 ASN 55 -8.302 -19.925 18.326 451 HD22 ASN 55 HD22 ASN 55 -8.558 -21.568 18.669 452 H ASP 56 HN ASP 56 -12.777 -18.385 16.869 453 HA ASP 56 HA ASP 56 -12.892 -20.864 15.516 454 HB2 ASP 56 HB2 ASP 56 -14.680 -18.432 15.480 455 HB3 ASP 56 HB1 ASP 56 -15.049 -19.891 14.564 456 H TYR 57 HN TYR 57 -12.338 -17.560 14.407 457 HA TYR 57 HA TYR 57 -12.548 -17.960 11.650 458 HB2 TYR 57 HB2 TYR 57 -12.288 -15.747 12.794 459 HB3 TYR 57 HB1 TYR 57 -10.586 -16.130 13.048 460 HD1 TYR 57 HD2 TYR 57 -13.190 -15.697 10.423 461 HD2 TYR 57 HD1 TYR 57 -8.988 -15.841 11.304 462 HE1 TYR 57 HE2 TYR 57 -12.683 -14.913 8.126 463 HE2 TYR 57 HE1 TYR 57 -8.482 -15.055 9.005 464 HH TYR 57 HH TYR 57 -11.099 -14.397 6.670 465 H ILE 58 HN ILE 58 -9.781 -18.418 13.829 466 HA ILE 58 HA ILE 58 -7.869 -19.043 11.846 467 HB ILE 58 HB ILE 58 -8.069 -19.858 14.755 468 HG12 ILE 58 HG12 ILE 58 -6.258 -17.834 13.413 469 HG13 ILE 58 HG11 ILE 58 -7.827 -17.402 14.112 470 HG21 ILE 58 HG21 ILE 58 -5.546 -20.243 14.423 471 HG22 ILE 58 HG22 ILE 58 -5.896 -20.279 12.694 472 HG23 ILE 58 HG23 ILE 58 -6.626 -21.474 13.767 473 HD11 ILE 58 HD11 ILE 58 -5.584 -18.771 15.629 474 HD12 ILE 58 HD12 ILE 58 -7.114 -18.209 16.301 475 HD13 ILE 58 HD13 ILE 58 -5.933 -17.044 15.702 476 H ALA 59 HN ALA 59 -10.063 -21.094 13.749 477 HA ALA 59 HA ALA 59 -9.156 -23.577 12.751 478 HB1 ALA 59 HB1 ALA 59 -11.922 -22.845 13.742 479 HB2 ALA 59 HB2 ALA 59 -10.574 -23.345 14.764 480 HB3 ALA 59 HB3 ALA 59 -11.264 -24.475 13.600 481 H GLU 60 HN GLU 60 -11.561 -21.277 11.590 482 HA GLU 60 HA GLU 60 -12.596 -22.965 9.527 483 HB2 GLU 60 HB2 GLU 60 -12.714 -19.977 9.961 484 HB3 GLU 60 HB1 GLU 60 -13.542 -20.806 8.642 485 HG2 GLU 60 HG2 GLU 60 -14.792 -22.170 10.237 486 HG3 GLU 60 HG1 GLU 60 -13.920 -21.441 11.581 487 H HIS 61 HN HIS 61 -10.121 -20.433 9.657 488 HA HIS 61 HA HIS 61 -9.091 -21.366 7.045 489 HB2 HIS 61 HB2 HIS 61 -9.288 -18.449 7.794 490 HB3 HIS 61 HB1 HIS 61 -8.812 -19.139 6.241 491 HD2 HIS 61 HD2 HIS 61 -11.996 -17.898 7.934 492 HE1 HIS 61 HE1 HIS 61 -13.274 -20.363 4.754 493 HE2 HIS 61 HE2 HIS 61 -14.026 -18.657 6.478 494 HA PRO 62 HA PRO 62 -5.834 -20.842 10.365 495 HB2 PRO 62 HB2 PRO 62 -4.900 -23.420 10.347 496 HB3 PRO 62 HB1 PRO 62 -6.253 -22.887 11.362 497 HG2 PRO 62 HG2 PRO 62 -6.298 -24.379 8.782 498 HG3 PRO 62 HG1 PRO 62 -7.327 -24.568 10.212 499 HD2 PRO 62 HD2 PRO 62 -8.107 -23.221 7.933 500 HD3 PRO 62 HD1 PRO 62 -8.781 -22.894 9.540 501 H THR 63 HN THR 63 -5.929 -22.197 7.162 502 HA THR 63 HA THR 63 -3.074 -22.163 6.744 503 HB THR 63 HB THR 63 -3.642 -22.691 4.415 504 HG1 THR 63 HG1 THR 63 -6.308 -22.939 4.812 505 HG21 THR 63 HG21 THR 63 -5.485 -24.253 6.226 506 HG22 THR 63 HG22 THR 63 -3.731 -24.414 6.311 507 HG23 THR 63 HG23 THR 63 -4.585 -24.835 4.826 508 H SER 64 HN SER 64 -5.692 -19.919 6.437 509 HA SER 64 HA SER 64 -4.444 -18.151 4.566 510 HB2 SER 64 HB2 SER 64 -6.736 -17.856 6.504 511 HB3 SER 64 HB1 SER 64 -6.169 -16.508 5.522 512 HG SER 64 HG SER 64 -6.374 -18.184 3.741 513 H GLY 65 HN GLY 65 -3.260 -16.302 4.926 514 HA2 GLY 65 HA2 GLY 65 -1.859 -16.156 7.483 515 HA3 GLY 65 HA1 GLY 65 -1.469 -15.259 6.019 516 H ARG 66 HN ARG 66 -4.615 -14.791 6.117 517 HA ARG 66 HA ARG 66 -4.449 -12.124 7.084 518 HB2 ARG 66 HB2 ARG 66 -6.889 -13.825 6.518 519 HB3 ARG 66 HB1 ARG 66 -6.881 -12.074 6.714 520 HG2 ARG 66 HG2 ARG 66 -5.133 -13.406 4.645 521 HG3 ARG 66 HG1 ARG 66 -6.818 -13.035 4.298 522 HD2 ARG 66 HD2 ARG 66 -6.388 -10.656 4.885 523 HD3 ARG 66 HD1 ARG 66 -4.692 -11.036 5.139 524 HE ARG 66 HE ARG 66 -6.073 -10.888 2.573 525 HH11 ARG 66 HH21 ARG 66 -3.278 -11.834 4.388 526 HH12 ARG 66 HH22 ARG 66 -2.225 -11.849 3.016 527 HH21 ARG 66 HH11 ARG 66 -4.696 -10.908 0.773 528 HH22 ARG 66 HH12 ARG 66 -3.027 -11.328 0.969 529 H ASN 67 HN ASN 67 -5.596 -15.139 8.476 530 HA ASN 67 HA ASN 67 -6.904 -14.119 10.732 531 HB2 ASN 67 HB2 ASN 67 -6.658 -16.313 11.683 532 HB3 ASN 67 HB1 ASN 67 -6.923 -16.510 9.953 533 HD21 ASN 67 HD21 ASN 67 -5.597 -18.525 11.527 534 HD22 ASN 67 HD22 ASN 67 -3.983 -18.612 11.010 535 H GLN 68 HN GLN 68 -3.583 -14.121 9.913 536 HA GLN 68 HA GLN 68 -2.344 -14.273 12.422 537 HB2 GLN 68 HB2 GLN 68 -1.575 -12.682 9.966 538 HB3 GLN 68 HB1 GLN 68 -0.526 -12.930 11.358 539 HG2 GLN 68 HG2 GLN 68 -0.615 -15.354 11.038 540 HG3 GLN 68 HG1 GLN 68 -1.734 -15.155 9.691 541 HE21 GLN 68 HE21 GLN 68 0.318 -16.451 8.747 542 HE22 GLN 68 HE22 GLN 68 1.486 -15.469 8.004 543 H ALA 69 HN ALA 69 -3.607 -11.444 10.661 544 HA ALA 69 HA ALA 69 -2.940 -9.584 12.739 545 HB1 ALA 69 HB1 ALA 69 -4.071 -7.961 11.421 546 HB2 ALA 69 HB2 ALA 69 -5.034 -9.188 10.600 547 HB3 ALA 69 HB3 ALA 69 -3.307 -9.055 10.268 548 H LEU 70 HN LEU 70 -5.802 -11.437 11.864 549 HA LEU 70 HA LEU 70 -7.615 -10.153 13.600 550 HB2 LEU 70 HB2 LEU 70 -8.077 -11.853 11.704 551 HB3 LEU 70 HB1 LEU 70 -7.759 -13.083 12.923 552 HG LEU 70 HG LEU 70 -9.478 -11.665 14.371 553 HD11 LEU 70 HD11 LEU 70 -9.728 -9.821 12.765 554 HD12 LEU 70 HD12 LEU 70 -11.253 -10.678 12.939 555 HD13 LEU 70 HD13 LEU 70 -10.246 -10.955 11.520 556 HD21 LEU 70 HD21 LEU 70 -11.307 -13.073 13.503 557 HD22 LEU 70 HD22 LEU 70 -9.812 -13.998 13.633 558 HD23 LEU 70 HD23 LEU 70 -10.360 -13.424 12.058 559 H THR 71 HN THR 71 -5.380 -12.839 14.076 560 HA THR 71 HA THR 71 -6.285 -13.653 16.618 561 HB THR 71 HB THR 71 -3.444 -13.774 15.594 562 HG1 THR 71 HG1 THR 71 -4.056 -15.622 14.566 563 HG21 THR 71 HG21 THR 71 -3.307 -15.748 17.021 564 HG22 THR 71 HG22 THR 71 -5.004 -15.573 17.466 565 HG23 THR 71 HG23 THR 71 -3.828 -14.366 17.983 566 H GLN 72 HN GLN 72 -4.333 -10.962 15.598 567 HA GLN 72 HA GLN 72 -2.996 -10.400 18.017 568 HB2 GLN 72 HB2 GLN 72 -3.938 -8.517 15.852 569 HB3 GLN 72 HB1 GLN 72 -2.794 -8.106 17.121 570 HG2 GLN 72 HG2 GLN 72 -2.389 -10.363 15.150 571 HG3 GLN 72 HG1 GLN 72 -1.690 -8.757 14.963 572 HE21 GLN 72 HE21 GLN 72 -0.562 -11.628 15.679 573 HE22 GLN 72 HE22 GLN 72 0.471 -11.292 16.983 574 H LEU 73 HN LEU 73 -6.267 -9.742 16.940 575 HA LEU 73 HA LEU 73 -6.946 -7.745 18.814 576 HB2 LEU 73 HB2 LEU 73 -8.512 -9.770 17.234 577 HB3 LEU 73 HB1 LEU 73 -9.328 -8.792 18.448 578 HG LEU 73 HG LEU 73 -8.525 -6.742 17.349 579 HD11 LEU 73 HD11 LEU 73 -7.493 -7.055 15.030 580 HD12 LEU 73 HD12 LEU 73 -7.210 -8.734 15.491 581 HD13 LEU 73 HD13 LEU 73 -6.446 -7.428 16.399 582 HD21 LEU 73 HD21 LEU 73 -10.652 -8.060 16.621 583 HD22 LEU 73 HD22 LEU 73 -9.720 -8.485 15.189 584 HD23 LEU 73 HD23 LEU 73 -10.057 -6.792 15.554 585 H LYS 74 HN LYS 74 -7.055 -11.285 18.997 586 HA LYS 74 HA LYS 74 -8.377 -11.501 21.464 587 HB2 LYS 74 HB2 LYS 74 -7.931 -13.393 19.905 588 HB3 LYS 74 HB1 LYS 74 -6.231 -13.330 20.376 589 HG2 LYS 74 HG2 LYS 74 -6.809 -13.805 22.695 590 HG3 LYS 74 HG1 LYS 74 -8.525 -13.739 22.309 591 HD2 LYS 74 HD2 LYS 74 -7.860 -16.069 22.382 592 HD3 LYS 74 HD1 LYS 74 -8.196 -15.634 20.708 593 HE2 LYS 74 HE2 LYS 74 -5.380 -15.371 21.735 594 HE3 LYS 74 HE1 LYS 74 -5.993 -16.966 21.309 595 HZ1 LYS 74 HZ1 LYS 74 -6.677 -15.022 19.347 596 HZ2 LYS 74 HZ2 LYS 74 -5.856 -16.497 19.163 597 HZ3 LYS 74 HZ3 LYS 74 -4.999 -15.089 19.581 598 H GLU 75 HN GLU 75 -4.910 -11.260 20.706 599 HA GLU 75 HA GLU 75 -4.010 -11.445 23.396 600 HB2 GLU 75 HB2 GLU 75 -2.721 -10.233 20.938 601 HB3 GLU 75 HB1 GLU 75 -1.895 -10.475 22.478 602 HG2 GLU 75 HG2 GLU 75 -3.235 -12.696 20.914 603 HG3 GLU 75 HG1 GLU 75 -1.514 -12.330 20.823 604 H GLN 76 HN GLN 76 -4.707 -8.676 21.274 605 HA GLN 76 HA GLN 76 -3.909 -6.665 23.093 606 HB2 GLN 76 HB2 GLN 76 -5.880 -6.634 20.799 607 HB3 GLN 76 HB1 GLN 76 -5.394 -5.190 21.686 608 HG2 GLN 76 HG2 GLN 76 -3.442 -7.057 20.317 609 HG3 GLN 76 HG1 GLN 76 -4.071 -5.586 19.580 610 HE21 GLN 76 HE21 GLN 76 -1.372 -6.660 21.095 611 HE22 GLN 76 HE22 GLN 76 -0.889 -5.240 21.889 612 H VAL 77 HN VAL 77 -7.166 -7.906 22.314 613 HA VAL 77 HA VAL 77 -8.530 -6.410 24.272 614 HB VAL 77 HB VAL 77 -9.213 -9.063 22.987 615 HG11 VAL 77 HG11 VAL 77 -11.576 -8.347 23.699 616 HG12 VAL 77 HG12 VAL 77 -10.782 -7.225 24.802 617 HG13 VAL 77 HG13 VAL 77 -10.520 -8.962 24.971 618 HG21 VAL 77 HG21 VAL 77 -8.966 -7.010 21.523 619 HG22 VAL 77 HG22 VAL 77 -10.278 -6.278 22.445 620 HG23 VAL 77 HG23 VAL 77 -10.574 -7.736 21.500 621 H THR 78 HN THR 78 -7.222 -9.717 24.346 622 HA THR 78 HA THR 78 -8.068 -10.388 26.941 623 HB THR 78 HB THR 78 -5.639 -11.325 25.395 624 HG1 THR 78 HG1 THR 78 -8.327 -11.861 25.343 625 HG21 THR 78 HG21 THR 78 -6.946 -12.294 27.940 626 HG22 THR 78 HG22 THR 78 -5.249 -11.897 27.667 627 HG23 THR 78 HG23 THR 78 -5.942 -13.346 26.941 628 H SER 79 HN SER 79 -5.061 -8.895 25.790 629 HA SER 79 HA SER 79 -3.777 -8.756 28.307 630 HB2 SER 79 HB2 SER 79 -2.334 -7.063 27.228 631 HB3 SER 79 HB1 SER 79 -2.548 -8.486 26.211 632 HG SER 79 HG SER 79 -3.630 -7.321 24.816 633 H ALA 80 HN ALA 80 -6.104 -6.684 26.692 634 HA ALA 80 HA ALA 80 -5.824 -4.376 28.265 635 HB1 ALA 80 HB1 ALA 80 -7.902 -3.685 27.385 636 HB2 ALA 80 HB2 ALA 80 -8.460 -5.346 27.182 637 HB3 ALA 80 HB3 ALA 80 -7.202 -4.703 26.126 638 H LEU 81 HN LEU 81 -7.703 -7.321 28.767 639 HA LEU 81 HA LEU 81 -9.109 -6.429 31.065 640 HB2 LEU 81 HB2 LEU 81 -8.331 -9.259 30.334 641 HB3 LEU 81 HB1 LEU 81 -9.642 -8.769 31.410 642 HG LEU 81 HG LEU 81 -9.443 -8.059 28.469 643 HD11 LEU 81 HD11 LEU 81 -11.451 -9.623 28.332 644 HD12 LEU 81 HD12 LEU 81 -11.053 -10.148 29.968 645 HD13 LEU 81 HD13 LEU 81 -9.908 -10.413 28.653 646 HD21 LEU 81 HD21 LEU 81 -11.407 -7.405 30.665 647 HD22 LEU 81 HD22 LEU 81 -11.972 -7.532 29.000 648 HD23 LEU 81 HD23 LEU 81 -10.739 -6.348 29.421 649 H GLY 82 HN GLY 82 -5.917 -7.767 30.571 650 HA2 GLY 82 HA2 GLY 82 -4.100 -7.630 32.030 651 HA3 GLY 82 HA1 GLY 82 -5.187 -7.083 33.303 652 H LEU 83 HN LEU 83 -6.003 -9.916 31.477 653 HA LEU 83 HA LEU 83 -6.172 -11.548 33.788 654 HB2 LEU 83 HB2 LEU 83 -6.220 -12.175 30.838 655 HB3 LEU 83 HB1 LEU 83 -6.435 -13.412 32.072 656 HG LEU 83 HG LEU 83 -8.108 -10.889 31.991 657 HD11 LEU 83 HD11 LEU 83 -8.631 -13.571 30.678 658 HD12 LEU 83 HD12 LEU 83 -8.477 -12.008 29.876 659 HD13 LEU 83 HD13 LEU 83 -9.863 -12.332 30.916 660 HD21 LEU 83 HD21 LEU 83 -9.714 -12.591 33.182 661 HD22 LEU 83 HD22 LEU 83 -8.393 -11.897 34.108 662 HD23 LEU 83 HD23 LEU 83 -8.251 -13.529 33.460 663 H GLU 84 HN GLU 84 -3.742 -11.237 31.246 664 HA GLU 84 HA GLU 84 -1.986 -13.105 32.745 665 HB2 GLU 84 HB2 GLU 84 -2.015 -12.284 29.833 666 HB3 GLU 84 HB1 GLU 84 -0.729 -13.239 30.574 667 HG2 GLU 84 HG2 GLU 84 -2.339 -14.972 31.203 668 HG3 GLU 84 HG1 GLU 84 -3.663 -14.007 30.551 669 H HIS 85 HN HIS 85 -0.920 -11.825 34.155 670 HA HIS 85 HA HIS 85 -0.080 -9.171 33.644 671 HB2 HIS 85 HB2 HIS 85 -0.337 -10.082 35.923 672 HB3 HIS 85 HB1 HIS 85 1.020 -11.171 35.636 673 HD2 HIS 85 HD2 HIS 85 1.519 -7.582 34.238 674 HE1 HIS 85 HE1 HIS 85 3.723 -7.837 37.827 675 HE2 HIS 85 HE2 HIS 85 3.277 -6.415 35.772 676 H HIS 86 HN HIS 86 1.596 -12.295 33.458 677 HA HIS 86 HA HIS 86 3.378 -11.307 31.423 678 HB2 HIS 86 HB2 HIS 86 4.377 -11.776 34.233 679 HB3 HIS 86 HB1 HIS 86 5.444 -11.931 32.837 680 HD2 HIS 86 HD2 HIS 86 5.058 -9.383 31.101 681 HE1 HIS 86 HE1 HIS 86 4.842 -7.066 34.623 682 HE2 HIS 86 HE2 HIS 86 5.185 -6.979 32.108 683 H HIS 87 HN HIS 87 1.508 -13.377 31.464 684 HA HIS 87 HA HIS 87 2.521 -15.918 32.096 685 HB2 HIS 87 HB2 HIS 87 0.157 -15.460 31.499 686 HB3 HIS 87 HB1 HIS 87 0.653 -15.183 29.829 687 HD2 HIS 87 HD2 HIS 87 0.127 -18.181 32.295 688 HE1 HIS 87 HE1 HIS 87 1.225 -19.769 28.540 689 HE2 HIS 87 HE2 HIS 87 0.394 -20.351 30.868 690 H HIS 88 HN HIS 88 2.780 -13.986 29.129 691 HA HIS 88 HA HIS 88 4.039 -15.868 27.492 692 HB2 HIS 88 HB2 HIS 88 3.186 -13.652 26.734 693 HB3 HIS 88 HB1 HIS 88 4.550 -12.884 27.548 694 HD2 HIS 88 HD2 HIS 88 6.676 -12.565 25.826 695 HE1 HIS 88 HE1 HIS 88 5.822 -15.753 23.195 696 HE2 HIS 88 HE2 HIS 88 7.411 -13.829 23.663 697 H HIS 89 HN HIS 89 6.298 -16.005 26.855 698 HA HIS 89 HA HIS 89 8.030 -16.423 29.039 699 HB2 HIS 89 HB2 HIS 89 8.255 -17.575 26.861 700 HB3 HIS 89 HB1 HIS 89 8.753 -16.053 26.122 701 HD2 HIS 89 HD2 HIS 89 10.279 -18.902 28.277 702 HE1 HIS 89 HE1 HIS 89 13.230 -15.907 27.896 703 HE2 HIS 89 HE2 HIS 89 12.784 -18.282 28.676 704 H HIS 90 HN HIS 90 7.829 -13.779 26.676 705 HA HIS 90 HA HIS 90 8.733 -11.667 26.663 706 HB2 HIS 90 HB2 HIS 90 7.381 -11.422 28.690 707 HB3 HIS 90 HB1 HIS 90 8.687 -12.101 29.660 708 HD2 HIS 90 HD2 HIS 90 10.579 -10.237 30.472 709 HE1 HIS 90 HE1 HIS 90 9.359 -7.066 27.966 710 HE2 HIS 90 HE2 HIS 90 10.930 -7.725 29.850 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -4.093 5.891 19.992 2 H2 MET 1 HT2 MET 1 -3.259 7.325 20.361 3 H3 MET 1 HT3 MET 1 -2.445 5.834 20.392 4 HA MET 1 HA MET 1 -3.665 6.993 17.950 5 HB2 MET 1 HB2 MET 1 -1.820 8.412 18.842 6 HB3 MET 1 HB1 MET 1 -0.761 7.002 18.826 7 HG2 MET 1 HG2 MET 1 -1.002 6.788 16.412 8 HG3 MET 1 HG1 MET 1 -2.184 8.096 16.383 9 HE1 MET 1 HE1 MET 1 1.330 8.031 18.544 10 HE2 MET 1 HE2 MET 1 2.304 8.236 17.090 11 HE3 MET 1 HE3 MET 1 1.190 6.877 17.210 12 H GLY 2 HN GLY 2 -4.392 5.022 17.192 13 HA2 GLY 2 HA2 GLY 2 -4.095 3.132 15.864 14 HA3 GLY 2 HA1 GLY 2 -2.363 3.222 16.169 15 H GLN 3 HN GLN 3 -4.260 3.434 18.984 16 HA GLN 3 HA GLN 3 -3.174 1.165 20.200 17 HB2 GLN 3 HB2 GLN 3 -5.721 2.685 20.793 18 HB3 GLN 3 HB1 GLN 3 -5.068 1.424 21.839 19 HG2 GLN 3 HG2 GLN 3 -2.990 2.679 22.115 20 HG3 GLN 3 HG1 GLN 3 -3.562 3.915 20.995 21 HE21 GLN 3 HE21 GLN 3 -3.296 3.242 24.269 22 HE22 GLN 3 HE22 GLN 3 -4.525 4.260 24.847 23 H ILE 4 HN ILE 4 -6.663 1.244 20.069 24 HA ILE 4 HA ILE 4 -6.707 -1.563 19.264 25 HB ILE 4 HB ILE 4 -8.883 0.273 20.176 26 HG12 ILE 4 HG12 ILE 4 -7.624 -2.073 21.609 27 HG13 ILE 4 HG11 ILE 4 -7.072 -0.413 21.834 28 HG21 ILE 4 HG21 ILE 4 -8.846 -2.654 19.435 29 HG22 ILE 4 HG22 ILE 4 -9.911 -1.392 18.815 30 HG23 ILE 4 HG23 ILE 4 -10.095 -1.966 20.473 31 HD11 ILE 4 HD11 ILE 4 -9.848 -1.493 22.401 32 HD12 ILE 4 HD12 ILE 4 -9.420 0.216 22.471 33 HD13 ILE 4 HD13 ILE 4 -8.671 -0.927 23.585 34 H PHE 5 HN PHE 5 -7.321 -2.288 17.312 35 HA PHE 5 HA PHE 5 -7.533 -0.533 15.110 36 HB2 PHE 5 HB2 PHE 5 -7.927 -3.462 15.566 37 HB3 PHE 5 HB1 PHE 5 -8.601 -2.792 14.085 38 HD1 PHE 5 HD2 PHE 5 -5.523 -1.767 15.942 39 HD2 PHE 5 HD1 PHE 5 -7.151 -3.561 12.397 40 HE1 PHE 5 HE2 PHE 5 -3.274 -1.760 14.908 41 HE2 PHE 5 HE1 PHE 5 -4.901 -3.551 11.360 42 HZ PHE 5 HZ PHE 5 -2.961 -2.651 12.616 43 H THR 6 HN THR 6 -9.208 0.435 14.153 44 HA THR 6 HA THR 6 -11.865 0.122 15.399 45 HB THR 6 HB THR 6 -10.905 2.285 13.518 46 HG1 THR 6 HG1 THR 6 -11.165 2.391 16.334 47 HG21 THR 6 HG21 THR 6 -12.848 3.479 14.764 48 HG22 THR 6 HG22 THR 6 -13.374 1.853 15.198 49 HG23 THR 6 HG23 THR 6 -13.254 2.321 13.501 50 H VAL 7 HN VAL 7 -13.731 0.413 13.865 51 HA VAL 7 HA VAL 7 -13.749 -1.655 11.971 52 HB VAL 7 HB VAL 7 -15.608 0.699 12.354 53 HG11 VAL 7 HG11 VAL 7 -17.211 -0.833 11.044 54 HG12 VAL 7 HG12 VAL 7 -15.767 -1.694 10.514 55 HG13 VAL 7 HG13 VAL 7 -15.976 0.008 10.106 56 HG21 VAL 7 HG21 VAL 7 -16.055 -2.218 13.013 57 HG22 VAL 7 HG22 VAL 7 -16.964 -0.823 13.590 58 HG23 VAL 7 HG23 VAL 7 -15.321 -1.104 14.166 59 H GLN 8 HN GLN 8 -13.502 1.865 11.554 60 HA GLN 8 HA GLN 8 -13.575 2.011 8.788 61 HB2 GLN 8 HB2 GLN 8 -11.869 3.644 10.681 62 HB3 GLN 8 HB1 GLN 8 -12.274 4.087 9.022 63 HG2 GLN 8 HG2 GLN 8 -14.317 3.586 11.204 64 HG3 GLN 8 HG1 GLN 8 -13.754 5.184 10.717 65 HE21 GLN 8 HE21 GLN 8 -16.372 3.306 10.318 66 HE22 GLN 8 HE22 GLN 8 -16.798 3.692 8.721 67 H GLU 9 HN GLU 9 -10.856 1.235 10.912 68 HA GLU 9 HA GLU 9 -8.895 1.162 8.835 69 HB2 GLU 9 HB2 GLU 9 -8.335 1.459 11.227 70 HB3 GLU 9 HB1 GLU 9 -8.857 -0.197 11.537 71 HG2 GLU 9 HG2 GLU 9 -7.153 -1.046 9.982 72 HG3 GLU 9 HG1 GLU 9 -6.650 0.604 9.617 73 H LEU 10 HN LEU 10 -11.092 -1.189 10.229 74 HA LEU 10 HA LEU 10 -9.892 -3.484 9.020 75 HB2 LEU 10 HB2 LEU 10 -12.640 -3.030 10.195 76 HB3 LEU 10 HB1 LEU 10 -12.048 -4.600 9.640 77 HG LEU 10 HG LEU 10 -10.649 -2.896 11.725 78 HD11 LEU 10 HD11 LEU 10 -12.667 -3.556 12.762 79 HD12 LEU 10 HD12 LEU 10 -11.504 -4.781 13.269 80 HD13 LEU 10 HD13 LEU 10 -12.646 -5.135 11.979 81 HD21 LEU 10 HD21 LEU 10 -10.109 -5.584 10.481 82 HD22 LEU 10 HD22 LEU 10 -9.691 -5.351 12.182 83 HD23 LEU 10 HD23 LEU 10 -8.973 -4.317 10.951 84 H LYS 11 HN LYS 11 -11.976 -1.020 7.877 85 HA LYS 11 HA LYS 11 -13.425 -2.379 5.907 86 HB2 LYS 11 HB2 LYS 11 -12.381 0.452 6.000 87 HB3 LYS 11 HB1 LYS 11 -13.444 -0.139 4.723 88 HG2 LYS 11 HG2 LYS 11 -15.099 -0.806 6.477 89 HG3 LYS 11 HG1 LYS 11 -14.048 -0.083 7.691 90 HD2 LYS 11 HD2 LYS 11 -14.226 2.099 6.555 91 HD3 LYS 11 HD1 LYS 11 -15.289 1.377 5.348 92 HE2 LYS 11 HE2 LYS 11 -16.910 0.796 7.112 93 HE3 LYS 11 HE1 LYS 11 -15.852 1.517 8.324 94 HZ1 LYS 11 HZ1 LYS 11 -17.547 3.078 7.669 95 HZ2 LYS 11 HZ2 LYS 11 -17.111 2.926 6.034 96 HZ3 LYS 11 HZ3 LYS 11 -16.034 3.634 7.140 97 H GLU 12 HN GLU 12 -10.143 -1.059 5.856 98 HA GLU 12 HA GLU 12 -9.640 -1.451 3.102 99 HB2 GLU 12 HB2 GLU 12 -7.801 -1.346 5.498 100 HB3 GLU 12 HB1 GLU 12 -7.219 -1.446 3.836 101 HG2 GLU 12 HG2 GLU 12 -8.358 0.632 3.268 102 HG3 GLU 12 HG1 GLU 12 -9.072 0.715 4.877 103 H ARG 13 HN ARG 13 -9.203 -3.546 5.927 104 HA ARG 13 HA ARG 13 -7.942 -5.675 4.498 105 HB2 ARG 13 HB2 ARG 13 -9.349 -5.550 7.169 106 HB3 ARG 13 HB1 ARG 13 -8.581 -7.011 6.550 107 HG2 ARG 13 HG2 ARG 13 -6.428 -5.900 6.428 108 HG3 ARG 13 HG1 ARG 13 -7.156 -4.355 6.872 109 HD2 ARG 13 HD2 ARG 13 -6.097 -5.358 8.834 110 HD3 ARG 13 HD1 ARG 13 -7.844 -5.327 9.048 111 HE ARG 13 HE ARG 13 -7.001 -7.800 7.895 112 HH11 ARG 13 HH21 ARG 13 -7.110 -5.970 10.830 113 HH12 ARG 13 HH22 ARG 13 -7.136 -7.363 11.860 114 HH21 ARG 13 HH11 ARG 13 -7.034 -9.630 9.238 115 HH22 ARG 13 HH12 ARG 13 -7.093 -9.435 10.958 116 H ALA 14 HN ALA 14 -11.274 -4.929 5.398 117 HA ALA 14 HA ALA 14 -12.338 -7.406 4.402 118 HB1 ALA 14 HB1 ALA 14 -14.480 -6.517 4.932 119 HB2 ALA 14 HB2 ALA 14 -13.881 -4.859 4.894 120 HB3 ALA 14 HB3 ALA 14 -13.392 -5.944 6.196 121 H LYS 15 HN LYS 15 -11.177 -4.631 2.917 122 HA LYS 15 HA LYS 15 -12.971 -4.203 0.806 123 HB2 LYS 15 HB2 LYS 15 -11.045 -2.722 1.351 124 HB3 LYS 15 HB1 LYS 15 -9.955 -3.953 0.716 125 HG2 LYS 15 HG2 LYS 15 -11.039 -3.801 -1.484 126 HG3 LYS 15 HG1 LYS 15 -12.162 -2.596 -0.852 127 HD2 LYS 15 HD2 LYS 15 -10.267 -1.096 -0.340 128 HD3 LYS 15 HD1 LYS 15 -9.148 -2.296 -0.990 129 HE2 LYS 15 HE2 LYS 15 -10.238 -2.150 -3.181 130 HE3 LYS 15 HE1 LYS 15 -11.388 -0.975 -2.541 131 HZ1 LYS 15 HZ1 LYS 15 -8.943 0.029 -1.862 132 HZ2 LYS 15 HZ2 LYS 15 -9.918 0.561 -3.147 133 HZ3 LYS 15 HZ3 LYS 15 -8.695 -0.585 -3.422 134 H VAL 16 HN VAL 16 -10.264 -6.473 1.111 135 HA VAL 16 HA VAL 16 -10.560 -7.497 -1.561 136 HB VAL 16 HB VAL 16 -9.014 -9.312 -0.669 137 HG11 VAL 16 HG11 VAL 16 -8.244 -6.392 -0.369 138 HG12 VAL 16 HG12 VAL 16 -8.141 -7.358 -1.842 139 HG13 VAL 16 HG13 VAL 16 -7.092 -7.723 -0.471 140 HG21 VAL 16 HG21 VAL 16 -8.127 -9.119 1.524 141 HG22 VAL 16 HG22 VAL 16 -9.860 -8.879 1.743 142 HG23 VAL 16 HG23 VAL 16 -8.772 -7.490 1.732 143 H PHE 17 HN PHE 17 -12.012 -8.133 1.508 144 HA PHE 17 HA PHE 17 -13.079 -10.734 0.615 145 HB2 PHE 17 HB2 PHE 17 -13.097 -9.309 3.278 146 HB3 PHE 17 HB1 PHE 17 -13.998 -10.794 2.970 147 HD1 PHE 17 HD1 PHE 17 -12.643 -12.769 1.908 148 HD2 PHE 17 HD2 PHE 17 -10.850 -9.453 3.969 149 HE1 PHE 17 HE1 PHE 17 -10.591 -14.110 2.283 150 HE2 PHE 17 HE2 PHE 17 -8.799 -10.795 4.342 151 HZ PHE 17 HZ PHE 17 -8.669 -13.123 3.498 152 H ALA 18 HN ALA 18 -15.274 -11.121 0.405 153 HA ALA 18 HA ALA 18 -17.186 -8.950 0.822 154 HB1 ALA 18 HB1 ALA 18 -18.014 -9.094 -1.514 155 HB2 ALA 18 HB2 ALA 18 -16.630 -10.111 -1.913 156 HB3 ALA 18 HB3 ALA 18 -16.381 -8.439 -1.409 157 H LYS 19 HN LYS 19 -17.670 -10.712 2.381 158 HA LYS 19 HA LYS 19 -18.978 -13.037 1.237 159 HB2 LYS 19 HB2 LYS 19 -19.356 -13.126 4.033 160 HB3 LYS 19 HB1 LYS 19 -18.121 -13.994 3.121 161 HG2 LYS 19 HG2 LYS 19 -17.049 -12.719 4.868 162 HG3 LYS 19 HG1 LYS 19 -16.651 -11.969 3.320 163 HD2 LYS 19 HD2 LYS 19 -18.794 -10.496 3.787 164 HD3 LYS 19 HD1 LYS 19 -18.558 -11.019 5.454 165 HE2 LYS 19 HE2 LYS 19 -16.728 -9.372 3.728 166 HE3 LYS 19 HE1 LYS 19 -17.318 -9.030 5.355 167 HZ1 LYS 19 HZ1 LYS 19 -15.130 -9.733 5.651 168 HZ2 LYS 19 HZ2 LYS 19 -15.271 -10.988 4.515 169 HZ3 LYS 19 HZ3 LYS 19 -16.051 -11.110 6.020 170 HA PRO 20 HA PRO 20 -23.174 -11.762 1.573 171 HB2 PRO 20 HB2 PRO 20 -23.753 -13.963 3.513 172 HB3 PRO 20 HB1 PRO 20 -24.492 -13.633 1.934 173 HG2 PRO 20 HG2 PRO 20 -22.780 -15.651 2.269 174 HG3 PRO 20 HG1 PRO 20 -22.805 -14.695 0.775 175 HD2 PRO 20 HD2 PRO 20 -20.856 -14.589 3.051 176 HD3 PRO 20 HD1 PRO 20 -20.580 -14.415 1.304 177 H ILE 21 HN ILE 21 -24.542 -10.503 2.836 178 HA ILE 21 HA ILE 21 -23.436 -9.434 5.263 179 HB ILE 21 HB ILE 21 -26.199 -8.938 4.145 180 HG12 ILE 21 HG12 ILE 21 -24.623 -8.603 2.330 181 HG13 ILE 21 HG11 ILE 21 -25.102 -7.019 2.944 182 HG21 ILE 21 HG21 ILE 21 -25.807 -6.706 5.212 183 HG22 ILE 21 HG22 ILE 21 -24.290 -7.325 5.860 184 HG23 ILE 21 HG23 ILE 21 -25.821 -8.032 6.376 185 HD11 ILE 21 HD11 ILE 21 -22.758 -6.839 2.760 186 HD12 ILE 21 HD12 ILE 21 -22.494 -8.484 3.335 187 HD13 ILE 21 HD13 ILE 21 -22.987 -7.223 4.466 188 H GLY 22 HN GLY 22 -23.916 -9.920 7.312 189 HA2 GLY 22 HA2 GLY 22 -25.188 -10.687 9.126 190 HA3 GLY 22 HA1 GLY 22 -26.367 -11.348 7.998 191 H ALA 23 HN ALA 23 -23.468 -11.942 9.793 192 HA ALA 23 HA ALA 23 -23.803 -14.784 9.579 193 HB1 ALA 23 HB1 ALA 23 -21.576 -15.236 8.577 194 HB2 ALA 23 HB2 ALA 23 -21.401 -13.512 8.248 195 HB3 ALA 23 HB3 ALA 23 -22.674 -14.438 7.451 196 H SER 24 HN SER 24 -21.336 -15.662 10.363 197 HA SER 24 HA SER 24 -21.246 -14.755 13.097 198 HB2 SER 24 HB2 SER 24 -19.671 -16.800 11.534 199 HB3 SER 24 HB1 SER 24 -19.326 -16.429 13.220 200 HG SER 24 HG SER 24 -20.912 -17.719 13.667 201 H TYR 25 HN TYR 25 -19.560 -14.024 10.177 202 HA TYR 25 HA TYR 25 -17.133 -13.066 11.343 203 HB2 TYR 25 HB2 TYR 25 -17.227 -13.695 8.987 204 HB3 TYR 25 HB1 TYR 25 -18.425 -12.438 8.676 205 HD1 TYR 25 HD1 TYR 25 -14.897 -13.094 9.586 206 HD2 TYR 25 HD2 TYR 25 -17.799 -10.110 8.527 207 HE1 TYR 25 HE1 TYR 25 -13.076 -11.443 9.254 208 HE2 TYR 25 HE2 TYR 25 -15.979 -8.459 8.195 209 HH TYR 25 HH TYR 25 -12.595 -9.284 8.906 210 H GLN 26 HN GLN 26 -20.224 -11.593 10.483 211 HA GLN 26 HA GLN 26 -19.471 -8.899 10.876 212 HB2 GLN 26 HB2 GLN 26 -21.572 -9.710 9.734 213 HB3 GLN 26 HB1 GLN 26 -22.218 -10.078 11.333 214 HG2 GLN 26 HG2 GLN 26 -23.003 -7.879 10.718 215 HG3 GLN 26 HG1 GLN 26 -21.787 -7.679 11.978 216 HE21 GLN 26 HE21 GLN 26 -21.855 -7.916 8.366 217 HE22 GLN 26 HE22 GLN 26 -20.722 -6.675 8.128 218 H GLY 27 HN GLY 27 -20.412 -11.445 13.075 219 HA2 GLY 27 HA2 GLY 27 -21.082 -9.890 15.329 220 HA3 GLY 27 HA1 GLY 27 -20.496 -11.549 15.373 221 H ILE 28 HN ILE 28 -17.987 -10.966 14.039 222 HA ILE 28 HA ILE 28 -16.427 -10.260 16.322 223 HB ILE 28 HB ILE 28 -15.673 -10.634 13.413 224 HG12 ILE 28 HG12 ILE 28 -15.173 -12.429 15.799 225 HG13 ILE 28 HG11 ILE 28 -16.595 -12.593 14.767 226 HG21 ILE 28 HG21 ILE 28 -13.956 -9.278 14.372 227 HG22 ILE 28 HG22 ILE 28 -13.348 -10.931 14.451 228 HG23 ILE 28 HG23 ILE 28 -14.007 -10.164 15.896 229 HD11 ILE 28 HD11 ILE 28 -15.216 -13.018 12.826 230 HD12 ILE 28 HD12 ILE 28 -14.675 -14.092 14.115 231 HD13 ILE 28 HD13 ILE 28 -13.749 -12.641 13.729 232 H LEU 29 HN LEU 29 -17.749 -8.488 13.641 233 HA LEU 29 HA LEU 29 -16.016 -6.180 14.117 234 HB2 LEU 29 HB2 LEU 29 -16.701 -6.937 11.794 235 HB3 LEU 29 HB1 LEU 29 -18.340 -6.419 12.197 236 HG LEU 29 HG LEU 29 -17.411 -4.142 12.751 237 HD11 LEU 29 HD11 LEU 29 -14.891 -5.510 11.854 238 HD12 LEU 29 HD12 LEU 29 -15.119 -4.334 13.147 239 HD13 LEU 29 HD13 LEU 29 -15.092 -3.800 11.468 240 HD21 LEU 29 HD21 LEU 29 -16.780 -4.981 9.910 241 HD22 LEU 29 HD22 LEU 29 -17.359 -3.414 10.468 242 HD23 LEU 29 HD23 LEU 29 -18.432 -4.813 10.509 243 H ASP 30 HN ASP 30 -19.434 -7.106 14.376 244 HA ASP 30 HA ASP 30 -20.437 -4.611 15.208 245 HB2 ASP 30 HB2 ASP 30 -21.351 -7.442 15.743 246 HB3 ASP 30 HB1 ASP 30 -22.259 -6.029 16.277 247 H GLN 31 HN GLN 31 -19.312 -7.391 17.143 248 HA GLN 31 HA GLN 31 -19.718 -6.159 19.657 249 HB2 GLN 31 HB2 GLN 31 -19.421 -8.624 19.283 250 HB3 GLN 31 HB1 GLN 31 -17.715 -8.320 18.976 251 HG2 GLN 31 HG2 GLN 31 -17.392 -7.456 21.200 252 HG3 GLN 31 HG1 GLN 31 -19.125 -7.472 21.513 253 HE21 GLN 31 HE21 GLN 31 -18.305 -8.895 23.419 254 HE22 GLN 31 HE22 GLN 31 -18.169 -10.560 23.121 255 H LEU 32 HN LEU 32 -17.203 -5.941 17.280 256 HA LEU 32 HA LEU 32 -15.083 -5.057 18.890 257 HB2 LEU 32 HB2 LEU 32 -15.082 -5.682 16.385 258 HB3 LEU 32 HB1 LEU 32 -15.606 -4.020 16.109 259 HG LEU 32 HG LEU 32 -13.583 -3.369 17.617 260 HD11 LEU 32 HD11 LEU 32 -12.899 -6.223 16.866 261 HD12 LEU 32 HD12 LEU 32 -12.892 -5.495 18.472 262 HD13 LEU 32 HD13 LEU 32 -11.680 -5.026 17.290 263 HD21 LEU 32 HD21 LEU 32 -13.663 -2.830 15.254 264 HD22 LEU 32 HD22 LEU 32 -13.245 -4.488 14.823 265 HD23 LEU 32 HD23 LEU 32 -12.058 -3.462 15.628 266 H ASP 33 HN ASP 33 -17.727 -3.297 17.339 267 HA ASP 33 HA ASP 33 -16.865 -0.690 17.980 268 HB2 ASP 33 HB2 ASP 33 -18.631 -1.109 16.345 269 HB3 ASP 33 HB1 ASP 33 -19.670 -1.770 17.607 270 H LEU 34 HN LEU 34 -18.731 -3.082 19.769 271 HA LEU 34 HA LEU 34 -19.538 -1.402 21.902 272 HB2 LEU 34 HB2 LEU 34 -19.303 -4.373 21.507 273 HB3 LEU 34 HB1 LEU 34 -19.587 -3.748 23.134 274 HG LEU 34 HG LEU 34 -21.570 -2.529 22.320 275 HD11 LEU 34 HD11 LEU 34 -22.375 -3.113 19.988 276 HD12 LEU 34 HD12 LEU 34 -20.776 -3.794 19.695 277 HD13 LEU 34 HD13 LEU 34 -20.949 -2.076 20.044 278 HD21 LEU 34 HD21 LEU 34 -22.000 -4.726 23.174 279 HD22 LEU 34 HD22 LEU 34 -21.407 -5.488 21.698 280 HD23 LEU 34 HD23 LEU 34 -22.926 -4.592 21.680 281 H VAL 35 HN VAL 35 -16.640 -3.336 21.344 282 HA VAL 35 HA VAL 35 -15.520 -3.278 23.882 283 HB VAL 35 HB VAL 35 -14.161 -3.102 21.185 284 HG11 VAL 35 HG11 VAL 35 -13.072 -3.581 23.963 285 HG12 VAL 35 HG12 VAL 35 -12.550 -2.373 22.787 286 HG13 VAL 35 HG13 VAL 35 -12.210 -4.082 22.508 287 HG21 VAL 35 HG21 VAL 35 -14.009 -5.472 21.303 288 HG22 VAL 35 HG22 VAL 35 -15.661 -5.107 21.803 289 HG23 VAL 35 HG23 VAL 35 -14.437 -5.491 23.013 290 H HIS 36 HN HIS 36 -15.876 -0.717 21.555 291 HA HIS 36 HA HIS 36 -13.947 1.034 22.829 292 HB2 HIS 36 HB2 HIS 36 -15.995 1.447 20.649 293 HB3 HIS 36 HB1 HIS 36 -14.948 2.734 21.250 294 HD2 HIS 36 HD2 HIS 36 -12.248 2.546 20.434 295 HE1 HIS 36 HE1 HIS 36 -12.704 -0.937 18.091 296 HE2 HIS 36 HE2 HIS 36 -11.111 0.940 18.718 297 H GLN 37 HN GLN 37 -17.492 0.849 22.576 298 HA GLN 37 HA GLN 37 -17.816 3.020 24.502 299 HB2 GLN 37 HB2 GLN 37 -19.806 1.321 22.984 300 HB3 GLN 37 HB1 GLN 37 -20.254 2.606 24.108 301 HG2 GLN 37 HG2 GLN 37 -18.994 4.239 22.764 302 HG3 GLN 37 HG1 GLN 37 -18.519 2.962 21.646 303 HE21 GLN 37 HE21 GLN 37 -19.720 3.341 19.764 304 HE22 GLN 37 HE22 GLN 37 -21.397 3.605 19.732 305 H ALA 38 HN ALA 38 -17.201 -0.235 24.701 306 HA ALA 38 HA ALA 38 -19.003 -0.994 26.789 307 HB1 ALA 38 HB1 ALA 38 -17.264 -2.865 27.093 308 HB2 ALA 38 HB2 ALA 38 -16.443 -2.154 25.704 309 HB3 ALA 38 HB3 ALA 38 -18.085 -2.776 25.534 310 H LYS 39 HN LYS 39 -18.700 -1.028 28.979 311 HA LYS 39 HA LYS 39 -16.862 0.894 30.078 312 HB2 LYS 39 HB2 LYS 39 -18.492 -1.086 31.660 313 HB3 LYS 39 HB1 LYS 39 -17.940 0.519 32.141 314 HG2 LYS 39 HG2 LYS 39 -20.016 1.256 31.489 315 HG3 LYS 39 HG1 LYS 39 -19.428 1.074 29.837 316 HD2 LYS 39 HD2 LYS 39 -20.274 -1.248 29.798 317 HD3 LYS 39 HD1 LYS 39 -20.871 -1.052 31.447 318 HE2 LYS 39 HE2 LYS 39 -22.719 -0.661 29.947 319 HE3 LYS 39 HE1 LYS 39 -22.245 0.893 30.634 320 HZ1 LYS 39 HZ1 LYS 39 -22.514 1.172 28.303 321 HZ2 LYS 39 HZ2 LYS 39 -21.539 -0.176 27.958 322 HZ3 LYS 39 HZ3 LYS 39 -20.849 1.226 28.625 323 H GLY 40 HN GLY 40 -15.690 0.155 32.199 324 HA2 GLY 40 HA2 GLY 40 -13.515 -1.417 31.479 325 HA3 GLY 40 HA1 GLY 40 -13.981 -1.064 33.140 326 H ARG 41 HN ARG 41 -16.439 -2.356 33.285 327 HA ARG 41 HA ARG 41 -15.593 -5.079 33.641 328 HB2 ARG 41 HB2 ARG 41 -18.362 -3.877 33.838 329 HB3 ARG 41 HB1 ARG 41 -17.846 -5.433 34.486 330 HG2 ARG 41 HG2 ARG 41 -16.325 -4.379 36.028 331 HG3 ARG 41 HG1 ARG 41 -16.581 -2.801 35.284 332 HD2 ARG 41 HD2 ARG 41 -17.921 -2.881 37.286 333 HD3 ARG 41 HD1 ARG 41 -19.006 -2.981 35.900 334 HE ARG 41 HE ARG 41 -19.516 -5.184 36.500 335 HH11 ARG 41 HH21 ARG 41 -16.858 -3.928 38.328 336 HH12 ARG 41 HH22 ARG 41 -16.839 -5.237 39.462 337 HH21 ARG 41 HH11 ARG 41 -19.499 -6.903 37.987 338 HH22 ARG 41 HH12 ARG 41 -18.334 -6.921 39.269 339 H ASP 42 HN ASP 42 -17.925 -3.450 31.505 340 HA ASP 42 HA ASP 42 -18.755 -5.786 30.136 341 HB2 ASP 42 HB2 ASP 42 -19.927 -3.529 30.218 342 HB3 ASP 42 HB1 ASP 42 -18.770 -2.993 29.000 343 H GLN 43 HN GLN 43 -16.086 -3.580 29.685 344 HA GLN 43 HA GLN 43 -15.395 -4.301 27.043 345 HB2 GLN 43 HB2 GLN 43 -14.501 -2.290 28.150 346 HB3 GLN 43 HB1 GLN 43 -13.598 -3.306 29.275 347 HG2 GLN 43 HG2 GLN 43 -12.310 -4.251 27.431 348 HG3 GLN 43 HG1 GLN 43 -13.283 -3.351 26.268 349 HE21 GLN 43 HE21 GLN 43 -10.445 -3.007 26.414 350 HE22 GLN 43 HE22 GLN 43 -10.129 -1.435 26.972 351 H ILE 44 HN ILE 44 -14.556 -5.644 30.189 352 HA ILE 44 HA ILE 44 -12.543 -7.430 29.311 353 HB ILE 44 HB ILE 44 -14.399 -7.521 31.702 354 HG12 ILE 44 HG12 ILE 44 -11.436 -6.924 31.561 355 HG13 ILE 44 HG11 ILE 44 -12.663 -5.660 31.440 356 HG21 ILE 44 HG21 ILE 44 -12.102 -9.308 30.874 357 HG22 ILE 44 HG22 ILE 44 -13.724 -9.783 31.378 358 HG23 ILE 44 HG23 ILE 44 -12.586 -9.140 32.563 359 HD11 ILE 44 HD11 ILE 44 -13.484 -6.109 33.632 360 HD12 ILE 44 HD12 ILE 44 -11.727 -6.110 33.784 361 HD13 ILE 44 HD13 ILE 44 -12.608 -7.637 33.727 362 H ALA 45 HN ALA 45 -16.049 -7.812 29.745 363 HA ALA 45 HA ALA 45 -16.224 -10.548 29.163 364 HB1 ALA 45 HB1 ALA 45 -18.593 -9.947 28.428 365 HB2 ALA 45 HB2 ALA 45 -18.171 -8.273 28.788 366 HB3 ALA 45 HB3 ALA 45 -18.146 -9.483 30.070 367 H ALA 46 HN ALA 46 -16.241 -7.722 27.027 368 HA ALA 46 HA ALA 46 -16.803 -9.083 24.614 369 HB1 ALA 46 HB1 ALA 46 -15.159 -6.572 24.939 370 HB2 ALA 46 HB2 ALA 46 -16.922 -6.599 24.975 371 HB3 ALA 46 HB3 ALA 46 -16.062 -7.086 23.513 372 H SER 47 HN SER 47 -13.807 -8.389 26.337 373 HA SER 47 HA SER 47 -12.028 -9.170 24.324 374 HB2 SER 47 HB2 SER 47 -11.717 -9.341 27.324 375 HB3 SER 47 HB1 SER 47 -10.402 -9.515 26.166 376 HG SER 47 HG SER 47 -12.128 -7.265 26.308 377 H PHE 48 HN PHE 48 -13.618 -11.043 26.857 378 HA PHE 48 HA PHE 48 -12.295 -13.487 26.410 379 HB2 PHE 48 HB2 PHE 48 -13.723 -12.958 28.392 380 HB3 PHE 48 HB1 PHE 48 -15.143 -13.095 27.354 381 HD1 PHE 48 HD2 PHE 48 -12.154 -14.964 28.579 382 HD2 PHE 48 HD1 PHE 48 -16.073 -15.218 26.838 383 HE1 PHE 48 HE2 PHE 48 -12.127 -17.426 28.878 384 HE2 PHE 48 HE1 PHE 48 -16.046 -17.680 27.137 385 HZ PHE 48 HZ PHE 48 -14.074 -18.784 28.157 386 H GLU 49 HN GLU 49 -15.308 -12.167 25.045 387 HA GLU 49 HA GLU 49 -15.957 -14.450 23.491 388 HB2 GLU 49 HB2 GLU 49 -17.518 -12.563 24.096 389 HB3 GLU 49 HB1 GLU 49 -16.691 -11.580 22.888 390 HG2 GLU 49 HG2 GLU 49 -18.606 -12.536 21.805 391 HG3 GLU 49 HG1 GLU 49 -17.193 -13.402 21.209 392 H LEU 50 HN LEU 50 -14.334 -11.401 22.653 393 HA LEU 50 HA LEU 50 -13.814 -12.083 19.959 394 HB2 LEU 50 HB2 LEU 50 -12.844 -10.008 21.862 395 HB3 LEU 50 HB1 LEU 50 -11.876 -10.284 20.414 396 HG LEU 50 HG LEU 50 -13.672 -8.511 20.177 397 HD11 LEU 50 HD11 LEU 50 -14.428 -10.654 18.224 398 HD12 LEU 50 HD12 LEU 50 -12.720 -10.212 18.290 399 HD13 LEU 50 HD13 LEU 50 -13.935 -8.985 17.935 400 HD21 LEU 50 HD21 LEU 50 -15.689 -10.752 19.981 401 HD22 LEU 50 HD22 LEU 50 -15.952 -9.033 20.256 402 HD23 LEU 50 HD23 LEU 50 -15.329 -10.042 21.555 403 H ASN 51 HN ASN 51 -12.085 -12.675 22.932 404 HA ASN 51 HA ASN 51 -9.598 -13.378 21.906 405 HB2 ASN 51 HB2 ASN 51 -9.960 -13.152 24.286 406 HB3 ASN 51 HB1 ASN 51 -11.105 -14.493 24.278 407 HD21 ASN 51 HD21 ASN 51 -10.024 -16.600 23.190 408 HD22 ASN 51 HD22 ASN 51 -8.460 -16.949 23.751 409 H LYS 52 HN LYS 52 -12.362 -15.524 22.603 410 HA LYS 52 HA LYS 52 -11.135 -17.841 21.512 411 HB2 LYS 52 HB2 LYS 52 -13.480 -18.752 21.531 412 HB3 LYS 52 HB1 LYS 52 -12.905 -18.124 23.073 413 HG2 LYS 52 HG2 LYS 52 -14.105 -16.035 22.728 414 HG3 LYS 52 HG1 LYS 52 -14.586 -16.544 21.115 415 HD2 LYS 52 HD2 LYS 52 -16.454 -16.915 22.578 416 HD3 LYS 52 HD1 LYS 52 -15.784 -18.485 22.141 417 HE2 LYS 52 HE2 LYS 52 -14.765 -18.772 24.254 418 HE3 LYS 52 HE1 LYS 52 -14.908 -17.061 24.656 419 HZ1 LYS 52 HZ1 LYS 52 -17.314 -18.668 24.139 420 HZ2 LYS 52 HZ2 LYS 52 -17.142 -17.258 25.071 421 HZ3 LYS 52 HZ3 LYS 52 -16.555 -18.742 25.653 422 H LYS 53 HN LYS 53 -13.363 -15.440 20.170 423 HA LYS 53 HA LYS 53 -13.838 -16.744 17.718 424 HB2 LYS 53 HB2 LYS 53 -13.976 -13.862 18.565 425 HB3 LYS 53 HB1 LYS 53 -14.370 -14.358 16.926 426 HG2 LYS 53 HG2 LYS 53 -16.078 -15.907 17.821 427 HG3 LYS 53 HG1 LYS 53 -15.688 -15.375 19.456 428 HD2 LYS 53 HD2 LYS 53 -16.381 -13.103 18.947 429 HD3 LYS 53 HD1 LYS 53 -16.632 -13.524 17.252 430 HE2 LYS 53 HE2 LYS 53 -18.386 -15.106 17.884 431 HE3 LYS 53 HE1 LYS 53 -18.132 -14.734 19.586 432 HZ1 LYS 53 HZ1 LYS 53 -19.621 -13.299 17.622 433 HZ2 LYS 53 HZ2 LYS 53 -18.474 -12.301 18.380 434 HZ3 LYS 53 HZ3 LYS 53 -19.629 -13.130 19.309 435 H ILE 54 HN ILE 54 -11.418 -14.311 18.658 436 HA ILE 54 HA ILE 54 -10.242 -14.091 16.085 437 HB ILE 54 HB ILE 54 -9.185 -13.526 18.862 438 HG12 ILE 54 HG12 ILE 54 -9.930 -11.587 16.664 439 HG13 ILE 54 HG11 ILE 54 -11.119 -12.175 17.829 440 HG21 ILE 54 HG21 ILE 54 -7.219 -13.876 17.578 441 HG22 ILE 54 HG22 ILE 54 -7.472 -12.130 17.521 442 HG23 ILE 54 HG23 ILE 54 -7.926 -13.133 16.143 443 HD11 ILE 54 HD11 ILE 54 -8.499 -10.880 18.629 444 HD12 ILE 54 HD12 ILE 54 -9.866 -11.265 19.677 445 HD13 ILE 54 HD13 ILE 54 -10.014 -9.992 18.468 446 H ASN 55 HN ASN 55 -9.363 -16.007 18.956 447 HA ASN 55 HA ASN 55 -7.102 -17.246 17.787 448 HB2 ASN 55 HB2 ASN 55 -7.423 -17.208 20.200 449 HB3 ASN 55 HB1 ASN 55 -8.889 -18.176 20.044 450 HD21 ASN 55 HD21 ASN 55 -5.711 -18.494 20.883 451 HD22 ASN 55 HD22 ASN 55 -5.445 -20.100 20.404 452 H ASP 56 HN ASP 56 -10.495 -18.228 18.069 453 HA ASP 56 HA ASP 56 -10.208 -20.795 16.932 454 HB2 ASP 56 HB2 ASP 56 -12.571 -18.915 17.096 455 HB3 ASP 56 HB1 ASP 56 -12.682 -20.556 16.462 456 H TYR 57 HN TYR 57 -11.045 -17.657 15.486 457 HA TYR 57 HA TYR 57 -11.530 -18.569 12.879 458 HB2 TYR 57 HB2 TYR 57 -11.958 -16.238 13.877 459 HB3 TYR 57 HB1 TYR 57 -10.266 -15.903 13.518 460 HD1 TYR 57 HD1 TYR 57 -9.444 -16.201 11.118 461 HD2 TYR 57 HD2 TYR 57 -13.603 -16.165 12.184 462 HE1 TYR 57 HE1 TYR 57 -10.049 -15.745 8.757 463 HE2 TYR 57 HE2 TYR 57 -14.207 -15.708 9.824 464 HH TYR 57 HH TYR 57 -13.084 -14.680 7.809 465 H ILE 58 HN ILE 58 -8.531 -17.288 14.331 466 HA ILE 58 HA ILE 58 -6.921 -17.642 12.026 467 HB ILE 58 HB ILE 58 -6.212 -17.479 14.964 468 HG12 ILE 58 HG12 ILE 58 -5.811 -15.431 12.771 469 HG13 ILE 58 HG11 ILE 58 -7.299 -15.500 13.720 470 HG21 ILE 58 HG21 ILE 58 -3.911 -16.878 13.982 471 HG22 ILE 58 HG22 ILE 58 -4.489 -17.597 12.479 472 HG23 ILE 58 HG23 ILE 58 -4.363 -18.583 13.935 473 HD11 ILE 58 HD11 ILE 58 -5.497 -13.909 14.585 474 HD12 ILE 58 HD12 ILE 58 -4.563 -15.346 14.999 475 HD13 ILE 58 HD13 ILE 58 -6.131 -15.065 15.757 476 H ALA 59 HN ALA 59 -7.493 -19.676 14.879 477 HA ALA 59 HA ALA 59 -5.689 -21.737 14.203 478 HB1 ALA 59 HB1 ALA 59 -6.551 -21.619 16.443 479 HB2 ALA 59 HB2 ALA 59 -7.116 -23.134 15.738 480 HB3 ALA 59 HB3 ALA 59 -8.212 -21.759 15.869 481 H GLU 60 HN GLU 60 -8.856 -20.932 13.050 482 HA GLU 60 HA GLU 60 -9.578 -23.489 12.034 483 HB2 GLU 60 HB2 GLU 60 -11.142 -21.538 12.419 484 HB3 GLU 60 HB1 GLU 60 -10.459 -20.799 10.971 485 HG2 GLU 60 HG2 GLU 60 -12.442 -21.973 10.290 486 HG3 GLU 60 HG1 GLU 60 -11.064 -22.913 9.718 487 H HIS 61 HN HIS 61 -7.936 -20.681 10.622 488 HA HIS 61 HA HIS 61 -6.814 -22.426 8.542 489 HB2 HIS 61 HB2 HIS 61 -8.367 -19.894 7.974 490 HB3 HIS 61 HB1 HIS 61 -7.340 -20.717 6.800 491 HD2 HIS 61 HD2 HIS 61 -8.202 -23.671 6.661 492 HE1 HIS 61 HE1 HIS 61 -12.235 -22.520 7.147 493 HE2 HIS 61 HE2 HIS 61 -10.696 -24.411 6.436 494 HA PRO 62 HA PRO 62 -3.829 -19.472 10.617 495 HB2 PRO 62 HB2 PRO 62 -2.123 -21.900 10.205 496 HB3 PRO 62 HB1 PRO 62 -2.269 -20.855 11.634 497 HG2 PRO 62 HG2 PRO 62 -3.379 -23.273 11.593 498 HG3 PRO 62 HG1 PRO 62 -4.195 -21.904 12.369 499 HD2 PRO 62 HD2 PRO 62 -4.766 -23.181 9.711 500 HD3 PRO 62 HD1 PRO 62 -5.902 -22.524 10.911 501 H THR 63 HN THR 63 -3.550 -21.639 7.847 502 HA THR 63 HA THR 63 -1.351 -20.264 6.638 503 HB THR 63 HB THR 63 -3.359 -22.167 5.411 504 HG1 THR 63 HG1 THR 63 -1.915 -23.718 5.940 505 HG21 THR 63 HG21 THR 63 -0.837 -20.867 4.415 506 HG22 THR 63 HG22 THR 63 -2.338 -21.203 3.551 507 HG23 THR 63 HG23 THR 63 -1.214 -22.513 3.903 508 H SER 64 HN SER 64 -4.396 -19.241 7.179 509 HA SER 64 HA SER 64 -5.345 -18.238 4.750 510 HB2 SER 64 HB2 SER 64 -5.599 -17.175 7.565 511 HB3 SER 64 HB1 SER 64 -6.459 -16.484 6.193 512 HG SER 64 HG SER 64 -7.140 -18.567 7.646 513 H GLY 65 HN GLY 65 -3.011 -16.871 7.037 514 HA2 GLY 65 HA2 GLY 65 -1.287 -15.370 6.616 515 HA3 GLY 65 HA1 GLY 65 -1.840 -15.247 4.948 516 H ARG 66 HN ARG 66 -4.386 -14.394 5.146 517 HA ARG 66 HA ARG 66 -4.111 -11.631 5.695 518 HB2 ARG 66 HB2 ARG 66 -6.509 -13.383 5.150 519 HB3 ARG 66 HB1 ARG 66 -6.653 -11.646 5.411 520 HG2 ARG 66 HG2 ARG 66 -6.488 -11.822 3.063 521 HG3 ARG 66 HG1 ARG 66 -4.836 -11.442 3.543 522 HD2 ARG 66 HD2 ARG 66 -4.204 -13.786 3.394 523 HD3 ARG 66 HD1 ARG 66 -5.872 -14.256 3.083 524 HE ARG 66 HE ARG 66 -5.231 -12.451 1.099 525 HH11 ARG 66 HH21 ARG 66 -3.994 -15.439 2.332 526 HH12 ARG 66 HH22 ARG 66 -3.380 -15.975 0.803 527 HH21 ARG 66 HH11 ARG 66 -4.432 -13.145 -0.904 528 HH22 ARG 66 HH12 ARG 66 -3.629 -14.673 -1.030 529 H ASN 67 HN ASN 67 -5.534 -14.298 7.505 530 HA ASN 67 HA ASN 67 -6.722 -12.751 9.549 531 HB2 ASN 67 HB2 ASN 67 -5.600 -15.544 9.823 532 HB3 ASN 67 HB1 ASN 67 -6.877 -14.804 10.786 533 HD21 ASN 67 HD21 ASN 67 -7.958 -13.501 8.207 534 HD22 ASN 67 HD22 ASN 67 -8.802 -14.759 7.443 535 H GLN 68 HN GLN 68 -3.453 -13.516 8.837 536 HA GLN 68 HA GLN 68 -2.160 -13.623 11.253 537 HB2 GLN 68 HB2 GLN 68 -1.028 -13.720 9.049 538 HB3 GLN 68 HB1 GLN 68 -1.281 -11.984 8.864 539 HG2 GLN 68 HG2 GLN 68 0.071 -11.522 10.829 540 HG3 GLN 68 HG1 GLN 68 0.224 -13.244 11.173 541 HE21 GLN 68 HE21 GLN 68 2.552 -11.664 10.781 542 HE22 GLN 68 HE22 GLN 68 3.286 -12.127 9.322 543 H ALA 69 HN ALA 69 -3.675 -10.839 9.737 544 HA ALA 69 HA ALA 69 -2.606 -8.953 11.663 545 HB1 ALA 69 HB1 ALA 69 -4.694 -8.725 9.492 546 HB2 ALA 69 HB2 ALA 69 -3.044 -8.105 9.467 547 HB3 ALA 69 HB3 ALA 69 -4.241 -7.384 10.544 548 H LEU 70 HN LEU 70 -5.298 -11.071 11.427 549 HA LEU 70 HA LEU 70 -7.152 -9.703 13.047 550 HB2 LEU 70 HB2 LEU 70 -7.447 -11.846 11.588 551 HB3 LEU 70 HB1 LEU 70 -6.914 -12.704 13.034 552 HG LEU 70 HG LEU 70 -8.744 -11.211 14.240 553 HD11 LEU 70 HD11 LEU 70 -10.556 -10.489 12.888 554 HD12 LEU 70 HD12 LEU 70 -10.009 -11.426 11.499 555 HD13 LEU 70 HD13 LEU 70 -9.131 -9.978 11.985 556 HD21 LEU 70 HD21 LEU 70 -8.791 -13.688 14.043 557 HD22 LEU 70 HD22 LEU 70 -9.517 -13.536 12.444 558 HD23 LEU 70 HD23 LEU 70 -10.401 -12.988 13.868 559 H THR 71 HN THR 71 -4.529 -11.922 13.823 560 HA THR 71 HA THR 71 -5.055 -12.319 16.536 561 HB THR 71 HB THR 71 -3.260 -13.405 15.022 562 HG1 THR 71 HG1 THR 71 -1.970 -12.869 17.346 563 HG21 THR 71 HG21 THR 71 -2.235 -11.043 14.604 564 HG22 THR 71 HG22 THR 71 -1.141 -12.403 14.863 565 HG23 THR 71 HG23 THR 71 -1.474 -11.275 16.177 566 H GLN 72 HN GLN 72 -4.050 -9.500 14.864 567 HA GLN 72 HA GLN 72 -2.556 -8.157 16.809 568 HB2 GLN 72 HB2 GLN 72 -2.868 -7.403 14.447 569 HB3 GLN 72 HB1 GLN 72 -4.511 -6.917 14.858 570 HG2 GLN 72 HG2 GLN 72 -3.104 -4.962 15.027 571 HG3 GLN 72 HG1 GLN 72 -3.545 -5.449 16.660 572 HE21 GLN 72 HE21 GLN 72 -1.686 -4.855 17.849 573 HE22 GLN 72 HE22 GLN 72 -0.123 -5.411 17.493 574 H LEU 73 HN LEU 73 -6.051 -8.421 16.356 575 HA LEU 73 HA LEU 73 -6.820 -6.544 18.311 576 HB2 LEU 73 HB2 LEU 73 -8.189 -8.979 17.173 577 HB3 LEU 73 HB1 LEU 73 -8.972 -7.909 18.337 578 HG LEU 73 HG LEU 73 -7.733 -6.877 15.772 579 HD11 LEU 73 HD11 LEU 73 -10.166 -6.819 14.971 580 HD12 LEU 73 HD12 LEU 73 -10.511 -7.955 16.273 581 HD13 LEU 73 HD13 LEU 73 -9.385 -8.400 14.991 582 HD21 LEU 73 HD21 LEU 73 -8.125 -5.052 17.225 583 HD22 LEU 73 HD22 LEU 73 -9.588 -5.766 17.888 584 HD23 LEU 73 HD23 LEU 73 -9.595 -5.094 16.257 585 H LYS 74 HN LYS 74 -6.123 -9.996 18.514 586 HA LYS 74 HA LYS 74 -6.945 -10.405 21.167 587 HB2 LYS 74 HB2 LYS 74 -6.357 -12.216 19.570 588 HB3 LYS 74 HB1 LYS 74 -4.660 -11.758 19.717 589 HG2 LYS 74 HG2 LYS 74 -4.719 -12.223 22.126 590 HG3 LYS 74 HG1 LYS 74 -6.434 -12.627 22.018 591 HD2 LYS 74 HD2 LYS 74 -5.901 -14.475 20.468 592 HD3 LYS 74 HD1 LYS 74 -4.186 -14.078 20.590 593 HE2 LYS 74 HE2 LYS 74 -4.500 -15.838 22.150 594 HE3 LYS 74 HE1 LYS 74 -4.477 -14.376 23.134 595 HZ1 LYS 74 HZ1 LYS 74 -6.547 -14.746 23.782 596 HZ2 LYS 74 HZ2 LYS 74 -6.472 -16.266 23.025 597 HZ3 LYS 74 HZ3 LYS 74 -7.095 -14.926 22.186 598 H GLU 75 HN GLU 75 -3.756 -9.509 19.854 599 HA GLU 75 HA GLU 75 -2.455 -9.358 22.375 600 HB2 GLU 75 HB2 GLU 75 -1.806 -8.060 19.717 601 HB3 GLU 75 HB1 GLU 75 -0.730 -8.058 21.113 602 HG2 GLU 75 HG2 GLU 75 -1.816 -10.565 19.801 603 HG3 GLU 75 HG1 GLU 75 -0.220 -9.888 19.479 604 H GLN 76 HN GLN 76 -3.975 -6.897 20.306 605 HA GLN 76 HA GLN 76 -3.338 -4.677 21.934 606 HB2 GLN 76 HB2 GLN 76 -5.545 -5.162 19.931 607 HB3 GLN 76 HB1 GLN 76 -5.312 -3.611 20.740 608 HG2 GLN 76 HG2 GLN 76 -3.026 -3.472 19.860 609 HG3 GLN 76 HG1 GLN 76 -3.210 -5.048 19.092 610 HE21 GLN 76 HE21 GLN 76 -2.611 -3.271 17.230 611 HE22 GLN 76 HE22 GLN 76 -3.967 -2.687 16.393 612 H VAL 77 HN VAL 77 -6.363 -6.562 21.690 613 HA VAL 77 HA VAL 77 -7.708 -5.244 23.783 614 HB VAL 77 HB VAL 77 -8.023 -8.062 22.726 615 HG11 VAL 77 HG11 VAL 77 -10.404 -7.652 23.717 616 HG12 VAL 77 HG12 VAL 77 -9.610 -6.429 24.709 617 HG13 VAL 77 HG13 VAL 77 -9.105 -8.114 24.815 618 HG21 VAL 77 HG21 VAL 77 -8.356 -6.035 21.177 619 HG22 VAL 77 HG22 VAL 77 -9.740 -5.629 22.194 620 HG23 VAL 77 HG23 VAL 77 -9.712 -7.155 21.311 621 H THR 78 HN THR 78 -5.759 -8.219 23.763 622 HA THR 78 HA THR 78 -6.076 -8.871 26.483 623 HB THR 78 HB THR 78 -3.767 -9.431 24.607 624 HG1 THR 78 HG1 THR 78 -5.391 -11.472 25.330 625 HG21 THR 78 HG21 THR 78 -3.449 -11.374 26.271 626 HG22 THR 78 HG22 THR 78 -4.425 -10.412 27.384 627 HG23 THR 78 HG23 THR 78 -2.897 -9.777 26.772 628 H SER 79 HN SER 79 -3.623 -6.910 24.823 629 HA SER 79 HA SER 79 -2.037 -6.374 27.103 630 HB2 SER 79 HB2 SER 79 -1.126 -4.511 25.759 631 HB3 SER 79 HB1 SER 79 -1.216 -6.003 24.828 632 HG SER 79 HG SER 79 -2.729 -3.660 24.643 633 H ALA 80 HN ALA 80 -4.920 -4.855 25.785 634 HA ALA 80 HA ALA 80 -4.874 -2.451 27.224 635 HB1 ALA 80 HB1 ALA 80 -7.260 -2.334 26.799 636 HB2 ALA 80 HB2 ALA 80 -7.313 -4.061 26.450 637 HB3 ALA 80 HB3 ALA 80 -6.448 -2.970 25.368 638 H LEU 81 HN LEU 81 -6.262 -5.605 28.077 639 HA LEU 81 HA LEU 81 -7.304 -4.795 30.592 640 HB2 LEU 81 HB2 LEU 81 -6.420 -7.568 29.773 641 HB3 LEU 81 HB1 LEU 81 -7.587 -7.149 31.030 642 HG LEU 81 HG LEU 81 -7.907 -6.524 28.079 643 HD11 LEU 81 HD11 LEU 81 -9.810 -8.231 28.344 644 HD12 LEU 81 HD12 LEU 81 -9.041 -8.696 29.861 645 HD13 LEU 81 HD13 LEU 81 -8.172 -8.888 28.338 646 HD21 LEU 81 HD21 LEU 81 -10.351 -6.161 28.976 647 HD22 LEU 81 HD22 LEU 81 -9.159 -4.884 29.207 648 HD23 LEU 81 HD23 LEU 81 -9.561 -5.962 30.542 649 H GLY 82 HN GLY 82 -4.158 -5.872 29.525 650 HA2 GLY 82 HA2 GLY 82 -2.125 -5.499 30.633 651 HA3 GLY 82 HA1 GLY 82 -3.013 -5.135 32.111 652 H LEU 83 HN LEU 83 -4.106 -7.945 30.550 653 HA LEU 83 HA LEU 83 -3.349 -9.638 32.702 654 HB2 LEU 83 HB2 LEU 83 -4.429 -10.234 29.944 655 HB3 LEU 83 HB1 LEU 83 -4.185 -11.468 31.180 656 HG LEU 83 HG LEU 83 -5.861 -8.979 31.607 657 HD11 LEU 83 HD11 LEU 83 -6.725 -11.774 30.813 658 HD12 LEU 83 HD12 LEU 83 -6.877 -10.314 29.834 659 HD13 LEU 83 HD13 LEU 83 -7.820 -10.486 31.315 660 HD21 LEU 83 HD21 LEU 83 -6.835 -10.682 33.404 661 HD22 LEU 83 HD22 LEU 83 -5.372 -9.767 33.754 662 HD23 LEU 83 HD23 LEU 83 -5.252 -11.447 33.230 663 H GLU 84 HN GLU 84 -2.076 -9.148 29.447 664 HA GLU 84 HA GLU 84 -0.126 -9.832 28.452 665 HB2 GLU 84 HB2 GLU 84 0.741 -9.806 31.350 666 HB3 GLU 84 HB1 GLU 84 1.849 -10.051 29.999 667 HG2 GLU 84 HG2 GLU 84 1.229 -7.886 29.054 668 HG3 GLU 84 HG1 GLU 84 0.036 -7.644 30.330 669 H HIS 85 HN HIS 85 0.838 -11.675 31.218 670 HA HIS 85 HA HIS 85 0.784 -14.119 29.657 671 HB2 HIS 85 HB2 HIS 85 2.712 -13.713 31.066 672 HB3 HIS 85 HB1 HIS 85 1.685 -13.530 32.487 673 HD2 HIS 85 HD2 HIS 85 1.040 -15.930 33.755 674 HE1 HIS 85 HE1 HIS 85 2.555 -18.537 30.801 675 HE2 HIS 85 HE2 HIS 85 1.548 -18.414 33.129 676 H HIS 86 HN HIS 86 -0.795 -15.577 29.672 677 HA HIS 86 HA HIS 86 -2.330 -16.187 32.014 678 HB2 HIS 86 HB2 HIS 86 -3.492 -14.132 31.345 679 HB3 HIS 86 HB1 HIS 86 -3.735 -14.789 29.726 680 HD2 HIS 86 HD2 HIS 86 -6.182 -16.030 29.517 681 HE1 HIS 86 HE1 HIS 86 -6.691 -17.078 33.575 682 HE2 HIS 86 HE2 HIS 86 -7.762 -17.145 31.272 683 H HIS 87 HN HIS 87 -2.085 -18.338 31.775 684 HA HIS 87 HA HIS 87 -3.294 -19.604 29.411 685 HB2 HIS 87 HB2 HIS 87 -0.881 -19.431 28.911 686 HB3 HIS 87 HB1 HIS 87 -0.516 -20.278 30.414 687 HD2 HIS 87 HD2 HIS 87 -0.456 -23.024 30.112 688 HE1 HIS 87 HE1 HIS 87 -2.626 -23.273 26.498 689 HE2 HIS 87 HE2 HIS 87 -1.338 -24.609 28.234 690 H HIS 88 HN HIS 88 -4.398 -21.413 29.892 691 HA HIS 88 HA HIS 88 -3.816 -23.121 32.091 692 HB2 HIS 88 HB2 HIS 88 -4.711 -21.233 33.388 693 HB3 HIS 88 HB1 HIS 88 -6.188 -21.270 32.425 694 HD2 HIS 88 HD2 HIS 88 -8.104 -23.009 33.415 695 HE1 HIS 88 HE1 HIS 88 -5.600 -25.233 35.985 696 HE2 HIS 88 HE2 HIS 88 -7.998 -24.891 35.222 697 H HIS 89 HN HIS 89 -4.067 -24.000 29.686 698 HA HIS 89 HA HIS 89 -6.678 -24.480 28.690 699 HB2 HIS 89 HB2 HIS 89 -4.612 -24.690 27.329 700 HB3 HIS 89 HB1 HIS 89 -4.172 -26.124 28.257 701 HD2 HIS 89 HD2 HIS 89 -6.513 -25.137 25.322 702 HE1 HIS 89 HE1 HIS 89 -7.316 -29.176 26.252 703 HE2 HIS 89 HE2 HIS 89 -7.747 -27.314 24.579 704 H HIS 90 HN HIS 90 -4.494 -26.418 30.718 705 HA HIS 90 HA HIS 90 -6.148 -28.697 30.920 706 HB2 HIS 90 HB2 HIS 90 -4.084 -27.617 32.853 707 HB3 HIS 90 HB1 HIS 90 -4.791 -29.231 32.926 708 HD2 HIS 90 HD2 HIS 90 -1.866 -27.471 31.204 709 HE1 HIS 90 HE1 HIS 90 -2.484 -31.059 29.068 710 HE2 HIS 90 HE2 HIS 90 -0.899 -29.106 29.412 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -7.967 1.396 22.131 2 H2 MET 1 HT2 MET 1 -8.554 2.738 21.269 3 H3 MET 1 HT3 MET 1 -9.269 2.293 22.744 4 HA MET 1 HA MET 1 -7.071 4.007 22.279 5 HB2 MET 1 HB2 MET 1 -8.597 3.106 24.738 6 HB3 MET 1 HB1 MET 1 -7.422 4.422 24.734 7 HG2 MET 1 HG2 MET 1 -8.752 5.609 23.028 8 HG3 MET 1 HG1 MET 1 -9.928 4.295 23.029 9 HE1 MET 1 HE1 MET 1 -10.983 7.164 23.478 10 HE2 MET 1 HE2 MET 1 -12.109 6.812 24.788 11 HE3 MET 1 HE3 MET 1 -11.887 5.642 23.489 12 H GLY 2 HN GLY 2 -5.611 2.134 21.552 13 HA2 GLY 2 HA2 GLY 2 -3.511 1.771 23.296 14 HA3 GLY 2 HA1 GLY 2 -4.547 0.369 23.542 15 H GLN 3 HN GLN 3 -2.834 -0.961 22.722 16 HA GLN 3 HA GLN 3 -1.836 -0.636 20.053 17 HB2 GLN 3 HB2 GLN 3 -1.752 -2.967 21.983 18 HB3 GLN 3 HB1 GLN 3 -0.931 -2.948 20.421 19 HG2 GLN 3 HG2 GLN 3 0.688 -2.254 22.047 20 HG3 GLN 3 HG1 GLN 3 0.208 -0.804 21.167 21 HE21 GLN 3 HE21 GLN 3 -0.173 -2.526 24.261 22 HE22 GLN 3 HE22 GLN 3 -0.780 -1.191 25.115 23 H ILE 4 HN ILE 4 -4.853 -1.167 20.889 24 HA ILE 4 HA ILE 4 -5.445 -3.436 19.156 25 HB ILE 4 HB ILE 4 -7.236 -1.707 20.781 26 HG12 ILE 4 HG12 ILE 4 -6.422 -4.571 21.246 27 HG13 ILE 4 HG11 ILE 4 -5.591 -3.211 21.998 28 HG21 ILE 4 HG21 ILE 4 -8.877 -3.581 20.360 29 HG22 ILE 4 HG22 ILE 4 -7.742 -4.196 19.158 30 HG23 ILE 4 HG23 ILE 4 -8.490 -2.615 18.938 31 HD11 ILE 4 HD11 ILE 4 -7.570 -2.533 23.169 32 HD12 ILE 4 HD12 ILE 4 -7.422 -4.274 23.408 33 HD13 ILE 4 HD13 ILE 4 -8.576 -3.640 22.236 34 H PHE 5 HN PHE 5 -6.115 -3.272 17.099 35 HA PHE 5 HA PHE 5 -6.133 -0.705 15.814 36 HB2 PHE 5 HB2 PHE 5 -6.552 -3.554 14.970 37 HB3 PHE 5 HB1 PHE 5 -7.113 -2.279 13.888 38 HD1 PHE 5 HD2 PHE 5 -4.128 -2.635 16.145 39 HD2 PHE 5 HD1 PHE 5 -5.582 -1.909 12.170 40 HE1 PHE 5 HE2 PHE 5 -1.807 -2.272 15.364 41 HE2 PHE 5 HE1 PHE 5 -3.261 -1.540 11.390 42 HZ PHE 5 HZ PHE 5 -1.372 -1.724 12.985 43 H THR 6 HN THR 6 -7.827 0.472 15.031 44 HA THR 6 HA THR 6 -10.330 0.217 16.388 45 HB THR 6 HB THR 6 -9.817 1.935 13.964 46 HG1 THR 6 HG1 THR 6 -8.927 2.175 16.625 47 HG21 THR 6 HG21 THR 6 -11.514 3.321 14.868 48 HG22 THR 6 HG22 THR 6 -11.418 2.545 16.448 49 HG23 THR 6 HG23 THR 6 -12.123 1.680 15.082 50 H VAL 7 HN VAL 7 -12.347 -0.338 15.568 51 HA VAL 7 HA VAL 7 -12.429 -2.437 13.690 52 HB VAL 7 HB VAL 7 -14.114 -2.135 15.472 53 HG11 VAL 7 HG11 VAL 7 -15.727 -0.379 15.395 54 HG12 VAL 7 HG12 VAL 7 -15.239 0.097 13.769 55 HG13 VAL 7 HG13 VAL 7 -14.169 0.404 15.137 56 HG21 VAL 7 HG21 VAL 7 -14.577 -3.380 13.299 57 HG22 VAL 7 HG22 VAL 7 -15.421 -1.936 12.747 58 HG23 VAL 7 HG23 VAL 7 -16.006 -2.813 14.157 59 H GLN 8 HN GLN 8 -13.032 1.023 13.402 60 HA GLN 8 HA GLN 8 -14.186 1.053 10.843 61 HB2 GLN 8 HB2 GLN 8 -14.153 3.021 12.306 62 HB3 GLN 8 HB1 GLN 8 -12.400 3.121 12.145 63 HG2 GLN 8 HG2 GLN 8 -12.583 3.542 9.763 64 HG3 GLN 8 HG1 GLN 8 -14.322 3.256 9.807 65 HE21 GLN 8 HE21 GLN 8 -13.186 5.744 8.886 66 HE22 GLN 8 HE22 GLN 8 -13.637 6.959 9.982 67 H GLU 9 HN GLU 9 -10.792 1.114 11.867 68 HA GLU 9 HA GLU 9 -9.683 1.470 9.280 69 HB2 GLU 9 HB2 GLU 9 -8.555 0.296 11.827 70 HB3 GLU 9 HB1 GLU 9 -7.598 0.533 10.363 71 HG2 GLU 9 HG2 GLU 9 -8.081 2.930 10.400 72 HG3 GLU 9 HG1 GLU 9 -9.123 2.721 11.806 73 H LEU 10 HN LEU 10 -10.287 -1.435 11.241 74 HA LEU 10 HA LEU 10 -9.286 -3.278 9.322 75 HB2 LEU 10 HB2 LEU 10 -11.252 -3.661 11.594 76 HB3 LEU 10 HB1 LEU 10 -10.513 -4.969 10.675 77 HG LEU 10 HG LEU 10 -8.936 -2.861 12.181 78 HD11 LEU 10 HD11 LEU 10 -8.514 -4.664 13.832 79 HD12 LEU 10 HD12 LEU 10 -9.639 -5.706 12.963 80 HD13 LEU 10 HD13 LEU 10 -10.225 -4.242 13.752 81 HD21 LEU 10 HD21 LEU 10 -7.212 -4.861 11.911 82 HD22 LEU 10 HD22 LEU 10 -7.459 -3.727 10.596 83 HD23 LEU 10 HD23 LEU 10 -8.243 -5.305 10.558 84 H LYS 11 HN LYS 11 -12.459 -1.886 9.925 85 HA LYS 11 HA LYS 11 -14.004 -3.566 8.303 86 HB2 LYS 11 HB2 LYS 11 -14.908 -1.839 9.862 87 HB3 LYS 11 HB1 LYS 11 -14.387 -0.597 8.724 88 HG2 LYS 11 HG2 LYS 11 -15.854 -1.445 7.011 89 HG3 LYS 11 HG1 LYS 11 -16.244 -2.868 7.972 90 HD2 LYS 11 HD2 LYS 11 -18.082 -1.317 8.197 91 HD3 LYS 11 HD1 LYS 11 -17.200 -1.326 9.725 92 HE2 LYS 11 HE2 LYS 11 -16.178 0.760 9.280 93 HE3 LYS 11 HE1 LYS 11 -16.564 0.686 7.562 94 HZ1 LYS 11 HZ1 LYS 11 -18.244 2.007 8.190 95 HZ2 LYS 11 HZ2 LYS 11 -18.218 1.482 9.806 96 HZ3 LYS 11 HZ3 LYS 11 -18.992 0.546 8.618 97 H GLU 12 HN GLU 12 -12.200 -0.615 7.490 98 HA GLU 12 HA GLU 12 -13.002 -0.484 4.778 99 HB2 GLU 12 HB2 GLU 12 -10.551 0.569 6.202 100 HB3 GLU 12 HB1 GLU 12 -10.936 0.935 4.519 101 HG2 GLU 12 HG2 GLU 12 -13.074 1.921 5.194 102 HG3 GLU 12 HG1 GLU 12 -12.758 1.499 6.876 103 H ARG 13 HN ARG 13 -10.232 -2.013 6.383 104 HA ARG 13 HA ARG 13 -8.986 -2.906 3.974 105 HB2 ARG 13 HB2 ARG 13 -8.714 -3.793 6.852 106 HB3 ARG 13 HB1 ARG 13 -7.719 -4.422 5.536 107 HG2 ARG 13 HG2 ARG 13 -6.893 -2.181 5.036 108 HG3 ARG 13 HG1 ARG 13 -7.957 -1.487 6.260 109 HD2 ARG 13 HD2 ARG 13 -5.725 -1.710 7.199 110 HD3 ARG 13 HD1 ARG 13 -6.796 -2.864 7.988 111 HE ARG 13 HE ARG 13 -5.536 -4.091 5.761 112 HH11 ARG 13 HH21 ARG 13 -4.934 -2.893 8.950 113 HH12 ARG 13 HH22 ARG 13 -3.630 -3.990 9.266 114 HH21 ARG 13 HH11 ARG 13 -3.828 -5.532 6.166 115 HH22 ARG 13 HH12 ARG 13 -3.004 -5.483 7.689 116 H ALA 14 HN ALA 14 -11.258 -4.359 6.263 117 HA ALA 14 HA ALA 14 -11.243 -6.940 5.014 118 HB1 ALA 14 HB1 ALA 14 -13.253 -5.688 6.899 119 HB2 ALA 14 HB2 ALA 14 -11.863 -6.663 7.374 120 HB3 ALA 14 HB3 ALA 14 -13.184 -7.395 6.462 121 H LYS 15 HN LYS 15 -12.565 -3.970 4.145 122 HA LYS 15 HA LYS 15 -15.042 -4.694 3.046 123 HB2 LYS 15 HB2 LYS 15 -14.222 -2.348 3.357 124 HB3 LYS 15 HB1 LYS 15 -13.132 -2.590 2.003 125 HG2 LYS 15 HG2 LYS 15 -14.979 -1.612 0.949 126 HG3 LYS 15 HG1 LYS 15 -15.306 -3.318 0.706 127 HD2 LYS 15 HD2 LYS 15 -16.833 -3.372 2.585 128 HD3 LYS 15 HD1 LYS 15 -16.407 -1.724 3.034 129 HE2 LYS 15 HE2 LYS 15 -17.298 -0.908 0.901 130 HE3 LYS 15 HE1 LYS 15 -17.726 -2.555 0.444 131 HZ1 LYS 15 HZ1 LYS 15 -18.693 -1.538 3.012 132 HZ2 LYS 15 HZ2 LYS 15 -19.419 -2.638 1.942 133 HZ3 LYS 15 HZ3 LYS 15 -19.450 -0.973 1.603 134 H VAL 16 HN VAL 16 -11.786 -4.699 1.643 135 HA VAL 16 HA VAL 16 -10.989 -5.535 -0.354 136 HB VAL 16 HB VAL 16 -13.016 -7.674 0.346 137 HG11 VAL 16 HG11 VAL 16 -10.673 -7.580 -1.563 138 HG12 VAL 16 HG12 VAL 16 -12.342 -8.025 -1.917 139 HG13 VAL 16 HG13 VAL 16 -11.328 -9.098 -0.952 140 HG21 VAL 16 HG21 VAL 16 -11.437 -7.273 2.164 141 HG22 VAL 16 HG22 VAL 16 -10.084 -7.322 1.034 142 HG23 VAL 16 HG23 VAL 16 -11.019 -8.783 1.354 143 H PHE 17 HN PHE 17 -14.110 -7.031 -0.888 144 HA PHE 17 HA PHE 17 -14.946 -4.979 -2.787 145 HB2 PHE 17 HB2 PHE 17 -13.449 -6.347 -4.148 146 HB3 PHE 17 HB1 PHE 17 -14.304 -7.808 -3.655 147 HD1 PHE 17 HD1 PHE 17 -14.847 -4.483 -5.292 148 HD2 PHE 17 HD2 PHE 17 -16.179 -8.545 -4.873 149 HE1 PHE 17 HE1 PHE 17 -16.489 -4.134 -7.117 150 HE2 PHE 17 HE2 PHE 17 -17.821 -8.195 -6.697 151 HZ PHE 17 HZ PHE 17 -17.976 -5.989 -7.819 152 H ALA 18 HN ALA 18 -17.084 -5.544 -3.761 153 HA ALA 18 HA ALA 18 -19.311 -6.000 -3.410 154 HB1 ALA 18 HB1 ALA 18 -18.269 -8.608 -2.284 155 HB2 ALA 18 HB2 ALA 18 -18.408 -8.271 -4.010 156 HB3 ALA 18 HB3 ALA 18 -19.853 -8.311 -3.000 157 H LYS 19 HN LYS 19 -20.939 -6.803 -1.675 158 HA LYS 19 HA LYS 19 -19.982 -6.075 0.983 159 HB2 LYS 19 HB2 LYS 19 -22.463 -5.029 -0.296 160 HB3 LYS 19 HB1 LYS 19 -22.025 -4.800 1.396 161 HG2 LYS 19 HG2 LYS 19 -21.062 -2.872 0.557 162 HG3 LYS 19 HG1 LYS 19 -19.707 -3.955 0.271 163 HD2 LYS 19 HD2 LYS 19 -20.734 -4.419 -2.019 164 HD3 LYS 19 HD1 LYS 19 -21.807 -3.065 -1.709 165 HE2 LYS 19 HE2 LYS 19 -18.783 -2.925 -1.629 166 HE3 LYS 19 HE1 LYS 19 -19.777 -2.396 -2.985 167 HZ1 LYS 19 HZ1 LYS 19 -19.839 -1.321 -0.219 168 HZ2 LYS 19 HZ2 LYS 19 -20.915 -0.867 -1.454 169 HZ3 LYS 19 HZ3 LYS 19 -19.257 -0.527 -1.600 170 HA PRO 20 HA PRO 20 -22.291 -9.912 1.611 171 HB2 PRO 20 HB2 PRO 20 -21.347 -10.445 4.120 172 HB3 PRO 20 HB1 PRO 20 -20.400 -10.748 2.651 173 HG2 PRO 20 HG2 PRO 20 -20.202 -8.509 4.608 174 HG3 PRO 20 HG1 PRO 20 -18.920 -9.346 3.715 175 HD2 PRO 20 HD2 PRO 20 -19.962 -6.877 3.032 176 HD3 PRO 20 HD1 PRO 20 -19.113 -7.972 1.896 177 H ILE 21 HN ILE 21 -24.253 -10.330 2.533 178 HA ILE 21 HA ILE 21 -25.457 -8.200 4.153 179 HB ILE 21 HB ILE 21 -26.647 -9.116 2.162 180 HG12 ILE 21 HG12 ILE 21 -28.083 -9.773 4.750 181 HG13 ILE 21 HG11 ILE 21 -27.793 -8.114 4.205 182 HG21 ILE 21 HG21 ILE 21 -27.093 -11.598 3.827 183 HG22 ILE 21 HG22 ILE 21 -25.782 -11.498 2.650 184 HG23 ILE 21 HG23 ILE 21 -27.457 -11.345 2.122 185 HD11 ILE 21 HD11 ILE 21 -30.019 -8.837 3.489 186 HD12 ILE 21 HD12 ILE 21 -29.328 -10.252 2.696 187 HD13 ILE 21 HD13 ILE 21 -28.978 -8.637 2.080 188 H GLY 22 HN GLY 22 -25.739 -8.356 6.279 189 HA2 GLY 22 HA2 GLY 22 -25.471 -9.211 8.419 190 HA3 GLY 22 HA1 GLY 22 -26.605 -10.416 7.819 191 H ALA 23 HN ALA 23 -25.950 -12.457 7.995 192 HA ALA 23 HA ALA 23 -24.573 -14.311 7.822 193 HB1 ALA 23 HB1 ALA 23 -23.264 -12.664 6.184 194 HB2 ALA 23 HB2 ALA 23 -22.539 -14.179 6.723 195 HB3 ALA 23 HB3 ALA 23 -22.088 -12.663 7.498 196 H SER 24 HN SER 24 -23.091 -15.424 9.216 197 HA SER 24 HA SER 24 -23.034 -14.302 11.885 198 HB2 SER 24 HB2 SER 24 -22.199 -16.493 12.555 199 HB3 SER 24 HB1 SER 24 -23.598 -16.675 11.500 200 HG SER 24 HG SER 24 -22.364 -17.670 10.131 201 H TYR 25 HN TYR 25 -20.966 -14.299 9.210 202 HA TYR 25 HA TYR 25 -18.439 -14.456 10.498 203 HB2 TYR 25 HB2 TYR 25 -19.326 -13.234 7.881 204 HB3 TYR 25 HB1 TYR 25 -17.641 -13.263 8.403 205 HD1 TYR 25 HD2 TYR 25 -20.512 -15.306 7.322 206 HD2 TYR 25 HD1 TYR 25 -16.398 -15.356 8.555 207 HE1 TYR 25 HE2 TYR 25 -20.299 -17.641 6.514 208 HE2 TYR 25 HE1 TYR 25 -16.185 -17.692 7.747 209 HH TYR 25 HH TYR 25 -17.188 -19.271 6.409 210 H GLN 26 HN GLN 26 -20.835 -12.004 10.345 211 HA GLN 26 HA GLN 26 -19.239 -9.691 10.625 212 HB2 GLN 26 HB2 GLN 26 -22.060 -10.338 11.485 213 HB3 GLN 26 HB1 GLN 26 -21.337 -8.748 11.727 214 HG2 GLN 26 HG2 GLN 26 -20.910 -8.550 9.324 215 HG3 GLN 26 HG1 GLN 26 -21.568 -10.162 9.058 216 HE21 GLN 26 HE21 GLN 26 -23.557 -9.242 11.403 217 HE22 GLN 26 HE22 GLN 26 -24.751 -8.413 10.528 218 H GLY 27 HN GLY 27 -20.046 -12.227 12.827 219 HA2 GLY 27 HA2 GLY 27 -19.791 -10.940 15.301 220 HA3 GLY 27 HA1 GLY 27 -19.442 -12.633 15.008 221 H ILE 28 HN ILE 28 -17.405 -11.872 12.948 222 HA ILE 28 HA ILE 28 -15.134 -11.829 14.674 223 HB ILE 28 HB ILE 28 -15.216 -11.319 11.689 224 HG12 ILE 28 HG12 ILE 28 -16.393 -13.399 12.183 225 HG13 ILE 28 HG11 ILE 28 -14.807 -13.784 11.516 226 HG21 ILE 28 HG21 ILE 28 -13.056 -10.799 12.681 227 HG22 ILE 28 HG22 ILE 28 -12.919 -12.343 11.837 228 HG23 ILE 28 HG23 ILE 28 -13.073 -12.309 13.593 229 HD11 ILE 28 HD11 ILE 28 -14.907 -15.209 13.368 230 HD12 ILE 28 HD12 ILE 28 -15.782 -14.038 14.347 231 HD13 ILE 28 HD13 ILE 28 -14.062 -13.829 14.044 232 H LEU 29 HN LEU 29 -16.667 -9.413 12.592 233 HA LEU 29 HA LEU 29 -14.711 -7.410 13.375 234 HB2 LEU 29 HB2 LEU 29 -15.602 -7.577 11.033 235 HB3 LEU 29 HB1 LEU 29 -17.173 -7.085 11.651 236 HG LEU 29 HG LEU 29 -16.046 -5.029 12.614 237 HD11 LEU 29 HD11 LEU 29 -13.752 -5.478 12.703 238 HD12 LEU 29 HD12 LEU 29 -13.850 -4.523 11.236 239 HD13 LEU 29 HD13 LEU 29 -13.736 -6.274 11.131 240 HD21 LEU 29 HD21 LEU 29 -15.908 -3.881 10.411 241 HD22 LEU 29 HD22 LEU 29 -17.346 -4.891 10.557 242 HD23 LEU 29 HD23 LEU 29 -15.963 -5.455 9.618 243 H ASP 30 HN ASP 30 -18.092 -8.197 13.923 244 HA ASP 30 HA ASP 30 -18.861 -5.821 15.221 245 HB2 ASP 30 HB2 ASP 30 -19.849 -8.651 15.244 246 HB3 ASP 30 HB1 ASP 30 -20.513 -7.516 16.410 247 H GLN 31 HN GLN 31 -17.217 -8.697 16.399 248 HA GLN 31 HA GLN 31 -17.436 -8.161 19.159 249 HB2 GLN 31 HB2 GLN 31 -16.697 -10.333 18.077 250 HB3 GLN 31 HB1 GLN 31 -15.131 -9.571 17.838 251 HG2 GLN 31 HG2 GLN 31 -14.978 -10.768 19.900 252 HG3 GLN 31 HG1 GLN 31 -15.146 -9.068 20.333 253 HE21 GLN 31 HE21 GLN 31 -16.303 -9.262 22.306 254 HE22 GLN 31 HE22 GLN 31 -17.822 -10.005 22.430 255 H LEU 32 HN LEU 32 -15.075 -7.182 16.716 256 HA LEU 32 HA LEU 32 -13.168 -6.051 18.440 257 HB2 LEU 32 HB2 LEU 32 -13.938 -5.639 15.570 258 HB3 LEU 32 HB1 LEU 32 -12.798 -4.513 16.296 259 HG LEU 32 HG LEU 32 -12.338 -7.472 16.663 260 HD11 LEU 32 HD11 LEU 32 -11.897 -5.872 14.145 261 HD12 LEU 32 HD12 LEU 32 -12.597 -7.480 14.324 262 HD13 LEU 32 HD13 LEU 32 -10.869 -7.248 14.547 263 HD21 LEU 32 HD21 LEU 32 -10.528 -5.063 16.329 264 HD22 LEU 32 HD22 LEU 32 -9.993 -6.705 16.679 265 HD23 LEU 32 HD23 LEU 32 -10.946 -5.820 17.863 266 H ASP 33 HN ASP 33 -16.046 -4.641 16.935 267 HA ASP 33 HA ASP 33 -15.654 -1.997 17.852 268 HB2 ASP 33 HB2 ASP 33 -17.272 -2.573 16.093 269 HB3 ASP 33 HB1 ASP 33 -18.243 -3.454 17.268 270 H LEU 34 HN LEU 34 -17.208 -4.818 19.302 271 HA LEU 34 HA LEU 34 -18.338 -3.500 21.529 272 HB2 LEU 34 HB2 LEU 34 -17.460 -6.363 21.106 273 HB3 LEU 34 HB1 LEU 34 -18.296 -5.819 22.558 274 HG LEU 34 HG LEU 34 -19.368 -5.470 19.740 275 HD11 LEU 34 HD11 LEU 34 -19.171 -7.881 20.659 276 HD12 LEU 34 HD12 LEU 34 -20.755 -7.359 20.101 277 HD13 LEU 34 HD13 LEU 34 -20.396 -7.399 21.826 278 HD21 LEU 34 HD21 LEU 34 -20.520 -3.870 20.950 279 HD22 LEU 34 HD22 LEU 34 -20.308 -4.703 22.489 280 HD23 LEU 34 HD23 LEU 34 -21.524 -5.254 21.345 281 H VAL 35 HN VAL 35 -15.178 -4.937 20.983 282 HA VAL 35 HA VAL 35 -14.220 -4.822 23.620 283 HB VAL 35 HB VAL 35 -12.785 -4.656 20.963 284 HG11 VAL 35 HG11 VAL 35 -11.280 -3.635 22.497 285 HG12 VAL 35 HG12 VAL 35 -10.772 -5.323 22.434 286 HG13 VAL 35 HG13 VAL 35 -11.730 -4.740 23.799 287 HG21 VAL 35 HG21 VAL 35 -13.928 -6.779 21.445 288 HG22 VAL 35 HG22 VAL 35 -13.142 -6.866 23.018 289 HG23 VAL 35 HG23 VAL 35 -12.185 -6.996 21.539 290 H HIS 36 HN HIS 36 -14.157 -2.424 21.010 291 HA HIS 36 HA HIS 36 -12.656 -0.497 22.506 292 HB2 HIS 36 HB2 HIS 36 -14.352 -0.271 20.008 293 HB3 HIS 36 HB1 HIS 36 -13.413 1.063 20.677 294 HD2 HIS 36 HD2 HIS 36 -10.643 0.915 20.198 295 HE1 HIS 36 HE1 HIS 36 -10.691 -2.786 18.165 296 HE2 HIS 36 HE2 HIS 36 -9.245 -0.797 18.807 297 H GLN 37 HN GLN 37 -16.083 -1.116 21.947 298 HA GLN 37 HA GLN 37 -16.906 1.293 23.348 299 HB2 GLN 37 HB2 GLN 37 -18.214 0.393 21.443 300 HB3 GLN 37 HB1 GLN 37 -18.558 -1.056 22.389 301 HG2 GLN 37 HG2 GLN 37 -19.667 0.319 24.109 302 HG3 GLN 37 HG1 GLN 37 -19.304 1.773 23.184 303 HE21 GLN 37 HE21 GLN 37 -21.060 2.451 21.961 304 HE22 GLN 37 HE22 GLN 37 -22.235 1.426 21.288 305 H ALA 38 HN ALA 38 -16.298 -2.035 24.081 306 HA ALA 38 HA ALA 38 -17.831 -2.101 26.515 307 HB1 ALA 38 HB1 ALA 38 -17.430 -4.183 25.355 308 HB2 ALA 38 HB2 ALA 38 -16.589 -4.241 26.903 309 HB3 ALA 38 HB3 ALA 38 -15.684 -3.933 25.423 310 H LYS 39 HN LYS 39 -16.950 -2.266 28.644 311 HA LYS 39 HA LYS 39 -14.182 -1.522 29.101 312 HB2 LYS 39 HB2 LYS 39 -15.245 0.423 30.664 313 HB3 LYS 39 HB1 LYS 39 -14.704 0.716 29.013 314 HG2 LYS 39 HG2 LYS 39 -16.958 1.616 29.344 315 HG3 LYS 39 HG1 LYS 39 -17.011 0.297 28.193 316 HD2 LYS 39 HD2 LYS 39 -17.964 -1.197 29.746 317 HD3 LYS 39 HD1 LYS 39 -17.474 -0.212 31.132 318 HE2 LYS 39 HE2 LYS 39 -19.518 0.601 29.049 319 HE3 LYS 39 HE1 LYS 39 -19.906 -0.037 30.647 320 HZ1 LYS 39 HZ1 LYS 39 -18.830 2.568 29.894 321 HZ2 LYS 39 HZ2 LYS 39 -18.252 1.889 31.339 322 HZ3 LYS 39 HZ3 LYS 39 -19.916 2.159 31.131 323 H GLY 40 HN GLY 40 -13.475 -2.133 31.094 324 HA2 GLY 40 HA2 GLY 40 -13.635 -2.799 33.338 325 HA3 GLY 40 HA1 GLY 40 -15.389 -2.815 33.198 326 H ARG 41 HN ARG 41 -15.884 -4.840 33.859 327 HA ARG 41 HA ARG 41 -14.369 -7.161 33.323 328 HB2 ARG 41 HB2 ARG 41 -16.029 -6.977 35.157 329 HB3 ARG 41 HB1 ARG 41 -17.321 -6.968 33.956 330 HG2 ARG 41 HG2 ARG 41 -16.530 -9.190 33.135 331 HG3 ARG 41 HG1 ARG 41 -15.315 -9.196 34.410 332 HD2 ARG 41 HD2 ARG 41 -17.167 -8.972 36.084 333 HD3 ARG 41 HD1 ARG 41 -18.321 -9.137 34.762 334 HE ARG 41 HE ARG 41 -16.407 -11.292 34.852 335 HH11 ARG 41 HH21 ARG 41 -19.356 -10.022 36.142 336 HH12 ARG 41 HH22 ARG 41 -19.986 -11.571 36.598 337 HH21 ARG 41 HH11 ARG 41 -17.226 -13.326 35.445 338 HH22 ARG 41 HH12 ARG 41 -18.779 -13.440 36.203 339 H ASP 42 HN ASP 42 -17.121 -5.679 31.671 340 HA ASP 42 HA ASP 42 -17.683 -7.768 29.882 341 HB2 ASP 42 HB2 ASP 42 -18.862 -6.111 28.569 342 HB3 ASP 42 HB1 ASP 42 -19.132 -5.779 30.281 343 H GLN 43 HN GLN 43 -15.125 -5.433 29.941 344 HA GLN 43 HA GLN 43 -14.410 -5.524 27.191 345 HB2 GLN 43 HB2 GLN 43 -13.648 -3.751 28.738 346 HB3 GLN 43 HB1 GLN 43 -12.661 -4.933 29.586 347 HG2 GLN 43 HG2 GLN 43 -11.338 -5.350 27.601 348 HG3 GLN 43 HG1 GLN 43 -12.401 -4.328 26.632 349 HE21 GLN 43 HE21 GLN 43 -9.626 -3.741 26.784 350 HE22 GLN 43 HE22 GLN 43 -9.420 -2.302 27.660 351 H ILE 44 HN ILE 44 -13.475 -7.420 30.005 352 HA ILE 44 HA ILE 44 -11.400 -8.894 28.786 353 HB ILE 44 HB ILE 44 -13.148 -9.459 31.165 354 HG12 ILE 44 HG12 ILE 44 -10.979 -9.056 32.337 355 HG13 ILE 44 HG11 ILE 44 -10.247 -8.652 30.791 356 HG21 ILE 44 HG21 ILE 44 -11.336 -11.237 31.626 357 HG22 ILE 44 HG22 ILE 44 -10.972 -11.122 29.903 358 HG23 ILE 44 HG23 ILE 44 -12.576 -11.629 30.435 359 HD11 ILE 44 HD11 ILE 44 -11.176 -6.725 32.293 360 HD12 ILE 44 HD12 ILE 44 -12.743 -7.235 31.684 361 HD13 ILE 44 HD13 ILE 44 -11.496 -6.695 30.565 362 H ALA 45 HN ALA 45 -14.867 -9.508 29.173 363 HA ALA 45 HA ALA 45 -14.977 -12.103 28.172 364 HB1 ALA 45 HB1 ALA 45 -17.335 -11.477 27.484 365 HB2 ALA 45 HB2 ALA 45 -16.967 -9.833 28.003 366 HB3 ALA 45 HB3 ALA 45 -16.936 -11.154 29.171 367 H ALA 46 HN ALA 46 -15.455 -9.056 26.364 368 HA ALA 46 HA ALA 46 -15.632 -10.263 23.811 369 HB1 ALA 46 HB1 ALA 46 -14.787 -7.462 24.578 370 HB2 ALA 46 HB2 ALA 46 -16.435 -7.988 24.237 371 HB3 ALA 46 HB3 ALA 46 -15.225 -7.988 22.956 372 H SER 47 HN SER 47 -12.910 -8.886 25.610 373 HA SER 47 HA SER 47 -11.008 -9.143 23.559 374 HB2 SER 47 HB2 SER 47 -10.856 -8.895 26.530 375 HB3 SER 47 HB1 SER 47 -9.396 -9.249 25.634 376 HG SER 47 HG SER 47 -9.380 -7.268 24.944 377 H PHE 48 HN PHE 48 -11.758 -11.281 26.293 378 HA PHE 48 HA PHE 48 -9.903 -13.299 25.616 379 HB2 PHE 48 HB2 PHE 48 -10.888 -13.133 27.854 380 HB3 PHE 48 HB1 PHE 48 -12.480 -13.501 27.193 381 HD1 PHE 48 HD2 PHE 48 -9.014 -14.856 27.536 382 HD2 PHE 48 HD1 PHE 48 -13.163 -15.742 26.862 383 HE1 PHE 48 HE2 PHE 48 -8.527 -17.281 27.715 384 HE2 PHE 48 HE1 PHE 48 -12.675 -18.166 27.041 385 HZ PHE 48 HZ PHE 48 -10.357 -18.936 27.467 386 H GLU 49 HN GLU 49 -13.374 -12.945 24.945 387 HA GLU 49 HA GLU 49 -13.655 -15.401 23.558 388 HB2 GLU 49 HB2 GLU 49 -15.521 -13.983 24.525 389 HB3 GLU 49 HB1 GLU 49 -15.321 -12.920 23.132 390 HG2 GLU 49 HG2 GLU 49 -15.726 -14.829 21.622 391 HG3 GLU 49 HG1 GLU 49 -15.943 -15.883 23.010 392 H LEU 50 HN LEU 50 -12.839 -12.129 22.531 393 HA LEU 50 HA LEU 50 -13.038 -12.515 19.768 394 HB2 LEU 50 HB2 LEU 50 -12.801 -10.281 20.682 395 HB3 LEU 50 HB1 LEU 50 -11.224 -10.685 21.363 396 HG LEU 50 HG LEU 50 -10.294 -10.979 19.120 397 HD11 LEU 50 HD11 LEU 50 -13.184 -10.675 18.330 398 HD12 LEU 50 HD12 LEU 50 -12.003 -11.861 17.788 399 HD13 LEU 50 HD13 LEU 50 -11.920 -10.212 17.196 400 HD21 LEU 50 HD21 LEU 50 -10.618 -8.646 20.196 401 HD22 LEU 50 HD22 LEU 50 -11.903 -8.432 19.007 402 HD23 LEU 50 HD23 LEU 50 -10.246 -8.717 18.474 403 H ASN 51 HN ASN 51 -10.403 -13.139 22.029 404 HA ASN 51 HA ASN 51 -8.358 -13.692 20.199 405 HB2 ASN 51 HB2 ASN 51 -7.926 -13.481 22.590 406 HB3 ASN 51 HB1 ASN 51 -8.894 -14.918 22.917 407 HD21 ASN 51 HD21 ASN 51 -8.070 -16.880 21.349 408 HD22 ASN 51 HD22 ASN 51 -6.388 -17.106 21.378 409 H LYS 52 HN LYS 52 -10.878 -15.798 21.543 410 HA LYS 52 HA LYS 52 -9.979 -18.196 20.335 411 HB2 LYS 52 HB2 LYS 52 -12.686 -17.315 21.316 412 HB3 LYS 52 HB1 LYS 52 -12.371 -18.936 20.701 413 HG2 LYS 52 HG2 LYS 52 -10.524 -19.151 22.398 414 HG3 LYS 52 HG1 LYS 52 -11.026 -17.603 23.070 415 HD2 LYS 52 HD2 LYS 52 -12.986 -19.883 22.731 416 HD3 LYS 52 HD1 LYS 52 -11.982 -19.742 24.170 417 HE2 LYS 52 HE2 LYS 52 -12.862 -17.399 24.466 418 HE3 LYS 52 HE1 LYS 52 -13.988 -17.713 23.147 419 HZ1 LYS 52 HZ1 LYS 52 -15.293 -18.880 24.474 420 HZ2 LYS 52 HZ2 LYS 52 -14.379 -18.290 25.779 421 HZ3 LYS 52 HZ3 LYS 52 -14.004 -19.795 25.088 422 H LYS 53 HN LYS 53 -12.212 -15.667 19.280 423 HA LYS 53 HA LYS 53 -13.193 -16.939 16.976 424 HB2 LYS 53 HB2 LYS 53 -12.830 -14.036 17.707 425 HB3 LYS 53 HB1 LYS 53 -13.540 -14.523 16.177 426 HG2 LYS 53 HG2 LYS 53 -15.250 -15.822 17.394 427 HG3 LYS 53 HG1 LYS 53 -14.544 -15.300 18.924 428 HD2 LYS 53 HD2 LYS 53 -14.968 -12.934 18.281 429 HD3 LYS 53 HD1 LYS 53 -15.748 -13.497 16.803 430 HE2 LYS 53 HE2 LYS 53 -16.625 -14.289 19.580 431 HE3 LYS 53 HE1 LYS 53 -17.358 -12.989 18.656 432 HZ1 LYS 53 HZ1 LYS 53 -18.106 -15.588 18.566 433 HZ2 LYS 53 HZ2 LYS 53 -17.110 -15.451 17.196 434 HZ3 LYS 53 HZ3 LYS 53 -18.456 -14.430 17.376 435 H ILE 54 HN ILE 54 -10.377 -14.816 17.433 436 HA ILE 54 HA ILE 54 -9.592 -14.767 14.713 437 HB ILE 54 HB ILE 54 -8.015 -14.358 17.265 438 HG12 ILE 54 HG12 ILE 54 -8.964 -12.336 15.220 439 HG13 ILE 54 HG11 ILE 54 -9.920 -12.770 16.633 440 HG21 ILE 54 HG21 ILE 54 -6.493 -13.094 15.503 441 HG22 ILE 54 HG22 ILE 54 -7.231 -14.214 14.360 442 HG23 ILE 54 HG23 ILE 54 -6.317 -14.838 15.731 443 HD11 ILE 54 HD11 ILE 54 -8.618 -10.797 17.177 444 HD12 ILE 54 HD12 ILE 54 -7.138 -11.568 16.618 445 HD13 ILE 54 HD13 ILE 54 -7.945 -12.161 18.069 446 H ASN 55 HN ASN 55 -8.593 -16.811 17.446 447 HA ASN 55 HA ASN 55 -6.665 -18.314 16.030 448 HB2 ASN 55 HB2 ASN 55 -8.298 -18.844 18.514 449 HB3 ASN 55 HB1 ASN 55 -7.174 -20.046 17.880 450 HD21 ASN 55 HD21 ASN 55 -6.827 -18.694 20.439 451 HD22 ASN 55 HD22 ASN 55 -5.406 -17.771 20.328 452 H ASP 56 HN ASP 56 -10.115 -18.882 16.669 453 HA ASP 56 HA ASP 56 -10.257 -21.392 15.364 454 HB2 ASP 56 HB2 ASP 56 -12.339 -19.318 16.044 455 HB3 ASP 56 HB1 ASP 56 -12.743 -20.842 15.257 456 H TYR 57 HN TYR 57 -10.813 -18.078 14.264 457 HA TYR 57 HA TYR 57 -11.830 -18.641 11.720 458 HB2 TYR 57 HB2 TYR 57 -11.784 -16.382 12.776 459 HB3 TYR 57 HB1 TYR 57 -10.044 -16.322 12.494 460 HD1 TYR 57 HD1 TYR 57 -13.278 -16.903 10.692 461 HD2 TYR 57 HD2 TYR 57 -9.230 -15.487 10.454 462 HE1 TYR 57 HE1 TYR 57 -13.688 -16.120 8.374 463 HE2 TYR 57 HE2 TYR 57 -9.640 -14.705 8.139 464 HH TYR 57 HH TYR 57 -11.953 -13.969 6.830 465 H ILE 58 HN ILE 58 -8.473 -18.258 12.816 466 HA ILE 58 HA ILE 58 -7.258 -18.516 10.279 467 HB ILE 58 HB ILE 58 -6.231 -19.139 13.061 468 HG12 ILE 58 HG12 ILE 58 -5.554 -16.825 11.227 469 HG13 ILE 58 HG11 ILE 58 -6.896 -16.751 12.381 470 HG21 ILE 58 HG21 ILE 58 -4.839 -20.396 11.597 471 HG22 ILE 58 HG22 ILE 58 -3.968 -18.885 11.854 472 HG23 ILE 58 HG23 ILE 58 -4.870 -19.140 10.359 473 HD11 ILE 58 HD11 ILE 58 -4.034 -17.413 13.138 474 HD12 ILE 58 HD12 ILE 58 -5.385 -17.149 14.240 475 HD13 ILE 58 HD13 ILE 58 -4.751 -15.808 13.285 476 H ALA 59 HN ALA 59 -8.028 -20.915 12.789 477 HA ALA 59 HA ALA 59 -6.882 -23.142 11.491 478 HB1 ALA 59 HB1 ALA 59 -8.072 -24.480 13.063 479 HB2 ALA 59 HB2 ALA 59 -9.296 -23.232 13.305 480 HB3 ALA 59 HB3 ALA 59 -7.657 -22.989 13.909 481 H GLU 60 HN GLU 60 -10.100 -21.693 11.325 482 HA GLU 60 HA GLU 60 -11.251 -23.743 9.706 483 HB2 GLU 60 HB2 GLU 60 -12.042 -20.875 10.240 484 HB3 GLU 60 HB1 GLU 60 -13.003 -21.976 9.252 485 HG2 GLU 60 HG2 GLU 60 -13.222 -23.523 11.131 486 HG3 GLU 60 HG1 GLU 60 -12.186 -22.507 12.122 487 H HIS 61 HN HIS 61 -9.728 -20.619 9.018 488 HA HIS 61 HA HIS 61 -9.397 -21.465 6.208 489 HB2 HIS 61 HB2 HIS 61 -10.116 -18.621 6.848 490 HB3 HIS 61 HB1 HIS 61 -10.238 -19.494 5.320 491 HD2 HIS 61 HD2 HIS 61 -12.432 -21.435 5.271 492 HE1 HIS 61 HE1 HIS 61 -14.458 -19.632 8.507 493 HE2 HIS 61 HE2 HIS 61 -14.669 -21.310 6.612 494 HA PRO 62 HA PRO 62 -5.543 -19.705 8.127 495 HB2 PRO 62 HB2 PRO 62 -3.924 -21.867 7.678 496 HB3 PRO 62 HB1 PRO 62 -4.935 -21.700 9.123 497 HG2 PRO 62 HG2 PRO 62 -5.385 -23.336 6.678 498 HG3 PRO 62 HG1 PRO 62 -5.784 -23.697 8.366 499 HD2 PRO 62 HD2 PRO 62 -7.612 -22.814 6.478 500 HD3 PRO 62 HD1 PRO 62 -7.833 -22.643 8.234 501 H THR 63 HN THR 63 -6.463 -21.033 5.100 502 HA THR 63 HA THR 63 -4.036 -20.055 3.742 503 HB THR 63 HB THR 63 -4.959 -21.204 1.767 504 HG1 THR 63 HG1 THR 63 -6.822 -22.674 2.597 505 HG21 THR 63 HG21 THR 63 -4.622 -23.456 2.568 506 HG22 THR 63 HG22 THR 63 -5.043 -22.985 4.214 507 HG23 THR 63 HG23 THR 63 -3.551 -22.394 3.482 508 H SER 64 HN SER 64 -6.850 -18.772 4.780 509 HA SER 64 HA SER 64 -7.913 -17.447 2.527 510 HB2 SER 64 HB2 SER 64 -8.914 -15.902 4.178 511 HB3 SER 64 HB1 SER 64 -9.125 -17.583 4.642 512 HG SER 64 HG SER 64 -8.219 -16.951 6.433 513 H GLY 65 HN GLY 65 -5.245 -16.680 4.688 514 HA2 GLY 65 HA2 GLY 65 -3.424 -15.289 4.262 515 HA3 GLY 65 HA1 GLY 65 -4.212 -14.747 2.783 516 H ARG 66 HN ARG 66 -6.691 -13.962 3.923 517 HA ARG 66 HA ARG 66 -6.020 -11.337 4.826 518 HB2 ARG 66 HB2 ARG 66 -8.697 -12.753 4.829 519 HB3 ARG 66 HB1 ARG 66 -8.446 -11.021 5.011 520 HG2 ARG 66 HG2 ARG 66 -7.389 -12.513 2.602 521 HG3 ARG 66 HG1 ARG 66 -9.041 -11.904 2.644 522 HD2 ARG 66 HD2 ARG 66 -8.088 -9.627 3.211 523 HD3 ARG 66 HD1 ARG 66 -6.490 -10.289 2.900 524 HE ARG 66 HE ARG 66 -8.373 -10.665 0.739 525 HH11 ARG 66 HH21 ARG 66 -5.991 -8.648 2.231 526 HH12 ARG 66 HH22 ARG 66 -5.594 -7.800 0.775 527 HH21 ARG 66 HH11 ARG 66 -7.859 -9.558 -1.178 528 HH22 ARG 66 HH12 ARG 66 -6.653 -8.316 -1.156 529 H ASN 67 HN ASN 67 -6.527 -14.328 6.406 530 HA ASN 67 HA ASN 67 -7.459 -13.377 8.916 531 HB2 ASN 67 HB2 ASN 67 -6.871 -15.556 9.762 532 HB3 ASN 67 HB1 ASN 67 -7.545 -15.763 8.147 533 HD21 ASN 67 HD21 ASN 67 -5.941 -17.824 9.021 534 HD22 ASN 67 HD22 ASN 67 -4.430 -17.779 8.248 535 H GLN 68 HN GLN 68 -4.419 -13.215 7.357 536 HA GLN 68 HA GLN 68 -2.615 -13.295 9.489 537 HB2 GLN 68 HB2 GLN 68 -1.964 -13.187 7.096 538 HB3 GLN 68 HB1 GLN 68 -2.485 -11.502 7.052 539 HG2 GLN 68 HG2 GLN 68 -0.840 -10.900 8.741 540 HG3 GLN 68 HG1 GLN 68 -0.377 -12.589 8.939 541 HE21 GLN 68 HE21 GLN 68 1.782 -11.217 8.305 542 HE22 GLN 68 HE22 GLN 68 2.165 -11.281 6.652 543 H ALA 69 HN ALA 69 -4.758 -10.730 8.392 544 HA ALA 69 HA ALA 69 -3.626 -8.674 10.037 545 HB1 ALA 69 HB1 ALA 69 -6.388 -8.877 8.809 546 HB2 ALA 69 HB2 ALA 69 -4.973 -8.171 8.030 547 HB3 ALA 69 HB3 ALA 69 -5.656 -7.416 9.471 548 H LEU 70 HN LEU 70 -6.260 -11.001 10.413 549 HA LEU 70 HA LEU 70 -7.324 -9.951 12.819 550 HB2 LEU 70 HB2 LEU 70 -7.409 -12.633 11.459 551 HB3 LEU 70 HB1 LEU 70 -8.064 -12.457 13.083 552 HG LEU 70 HG LEU 70 -9.551 -10.671 12.338 553 HD11 LEU 70 HD11 LEU 70 -8.085 -11.077 9.725 554 HD12 LEU 70 HD12 LEU 70 -8.299 -9.582 10.637 555 HD13 LEU 70 HD13 LEU 70 -9.670 -10.306 9.794 556 HD21 LEU 70 HD21 LEU 70 -10.450 -12.901 12.143 557 HD22 LEU 70 HD22 LEU 70 -9.580 -13.174 10.633 558 HD23 LEU 70 HD23 LEU 70 -10.912 -12.021 10.685 559 H THR 71 HN THR 71 -4.779 -12.324 12.171 560 HA THR 71 HA THR 71 -4.313 -13.293 14.720 561 HB THR 71 HB THR 71 -2.107 -12.573 12.786 562 HG1 THR 71 HG1 THR 71 -2.902 -13.987 11.476 563 HG21 THR 71 HG21 THR 71 -1.012 -14.516 13.745 564 HG22 THR 71 HG22 THR 71 -2.450 -14.903 14.692 565 HG23 THR 71 HG23 THR 71 -1.518 -13.451 15.058 566 H GLN 72 HN GLN 72 -3.329 -10.220 13.294 567 HA GLN 72 HA GLN 72 -1.536 -9.402 15.307 568 HB2 GLN 72 HB2 GLN 72 -3.258 -7.840 13.386 569 HB3 GLN 72 HB1 GLN 72 -2.096 -7.079 14.468 570 HG2 GLN 72 HG2 GLN 72 -0.279 -8.392 13.488 571 HG3 GLN 72 HG1 GLN 72 -1.426 -9.239 12.451 572 HE21 GLN 72 HE21 GLN 72 0.352 -8.108 10.890 573 HE22 GLN 72 HE22 GLN 72 -0.135 -6.604 10.270 574 H LEU 73 HN LEU 73 -5.038 -9.024 14.980 575 HA LEU 73 HA LEU 73 -5.428 -7.324 17.190 576 HB2 LEU 73 HB2 LEU 73 -7.178 -9.264 15.696 577 HB3 LEU 73 HB1 LEU 73 -7.788 -8.492 17.148 578 HG LEU 73 HG LEU 73 -8.327 -7.264 15.001 579 HD11 LEU 73 HD11 LEU 73 -6.548 -5.435 16.569 580 HD12 LEU 73 HD12 LEU 73 -7.835 -6.247 17.456 581 HD13 LEU 73 HD13 LEU 73 -8.222 -5.235 16.080 582 HD21 LEU 73 HD21 LEU 73 -5.402 -6.488 15.022 583 HD22 LEU 73 HD22 LEU 73 -6.599 -6.182 13.769 584 HD23 LEU 73 HD23 LEU 73 -6.002 -7.816 14.033 585 H LYS 74 HN LYS 74 -5.332 -10.838 16.939 586 HA LYS 74 HA LYS 74 -6.142 -11.463 19.548 587 HB2 LYS 74 HB2 LYS 74 -5.802 -13.116 17.726 588 HB3 LYS 74 HB1 LYS 74 -4.066 -12.899 17.889 589 HG2 LYS 74 HG2 LYS 74 -4.157 -13.677 20.208 590 HG3 LYS 74 HG1 LYS 74 -5.912 -13.796 20.119 591 HD2 LYS 74 HD2 LYS 74 -5.259 -16.011 19.715 592 HD3 LYS 74 HD1 LYS 74 -5.458 -15.385 18.081 593 HE2 LYS 74 HE2 LYS 74 -3.331 -16.631 18.315 594 HE3 LYS 74 HE1 LYS 74 -3.037 -14.940 17.945 595 HZ1 LYS 74 HZ1 LYS 74 -1.853 -14.789 19.788 596 HZ2 LYS 74 HZ2 LYS 74 -2.194 -16.406 20.183 597 HZ3 LYS 74 HZ3 LYS 74 -3.225 -15.164 20.712 598 H GLU 75 HN GLU 75 -2.869 -10.843 18.283 599 HA GLU 75 HA GLU 75 -1.543 -11.184 20.770 600 HB2 GLU 75 HB2 GLU 75 -0.748 -9.694 18.259 601 HB3 GLU 75 HB1 GLU 75 0.326 -9.950 19.636 602 HG2 GLU 75 HG2 GLU 75 0.117 -12.372 19.396 603 HG3 GLU 75 HG1 GLU 75 -1.047 -12.166 18.088 604 H GLN 76 HN GLN 76 -2.944 -8.386 19.134 605 HA GLN 76 HA GLN 76 -1.928 -6.406 20.884 606 HB2 GLN 76 HB2 GLN 76 -4.337 -6.493 19.067 607 HB3 GLN 76 HB1 GLN 76 -3.915 -5.064 20.010 608 HG2 GLN 76 HG2 GLN 76 -1.784 -4.875 18.917 609 HG3 GLN 76 HG1 GLN 76 -1.975 -6.439 18.136 610 HE21 GLN 76 HE21 GLN 76 -1.540 -4.800 16.195 611 HE22 GLN 76 HE22 GLN 76 -2.934 -4.160 15.471 612 H VAL 77 HN VAL 77 -5.002 -8.198 20.856 613 HA VAL 77 HA VAL 77 -6.185 -6.929 23.058 614 HB VAL 77 HB VAL 77 -6.500 -9.738 21.979 615 HG11 VAL 77 HG11 VAL 77 -7.267 -9.863 24.240 616 HG12 VAL 77 HG12 VAL 77 -8.722 -9.581 23.274 617 HG13 VAL 77 HG13 VAL 77 -7.971 -8.247 24.156 618 HG21 VAL 77 HG21 VAL 77 -8.413 -7.403 21.788 619 HG22 VAL 77 HG22 VAL 77 -8.377 -8.872 20.813 620 HG23 VAL 77 HG23 VAL 77 -7.132 -7.642 20.601 621 H THR 78 HN THR 78 -4.191 -9.874 22.903 622 HA THR 78 HA THR 78 -4.293 -10.645 25.555 623 HB THR 78 HB THR 78 -1.996 -11.600 25.157 624 HG1 THR 78 HG1 THR 78 -1.370 -11.358 22.873 625 HG21 THR 78 HG21 THR 78 -2.794 -12.947 23.086 626 HG22 THR 78 HG22 THR 78 -4.274 -11.998 23.224 627 HG23 THR 78 HG23 THR 78 -3.766 -13.031 24.555 628 H SER 79 HN SER 79 -2.257 -8.178 24.046 629 HA SER 79 HA SER 79 -0.700 -7.627 26.366 630 HB2 SER 79 HB2 SER 79 0.261 -6.888 24.357 631 HB3 SER 79 HB1 SER 79 -1.244 -6.169 23.791 632 HG SER 79 HG SER 79 -0.816 -4.423 24.901 633 H ALA 80 HN ALA 80 -3.304 -5.720 24.836 634 HA ALA 80 HA ALA 80 -3.601 -3.952 27.022 635 HB1 ALA 80 HB1 ALA 80 -5.488 -3.078 25.871 636 HB2 ALA 80 HB2 ALA 80 -5.743 -4.595 25.011 637 HB3 ALA 80 HB3 ALA 80 -4.358 -3.579 24.613 638 H LEU 81 HN LEU 81 -4.917 -7.066 26.328 639 HA LEU 81 HA LEU 81 -7.127 -6.980 28.078 640 HB2 LEU 81 HB2 LEU 81 -7.008 -8.710 26.394 641 HB3 LEU 81 HB1 LEU 81 -5.489 -9.315 27.061 642 HG LEU 81 HG LEU 81 -6.628 -9.934 29.108 643 HD11 LEU 81 HD11 LEU 81 -8.350 -8.385 29.459 644 HD12 LEU 81 HD12 LEU 81 -9.251 -9.810 28.968 645 HD13 LEU 81 HD13 LEU 81 -8.931 -8.528 27.803 646 HD21 LEU 81 HD21 LEU 81 -6.614 -11.508 27.171 647 HD22 LEU 81 HD22 LEU 81 -8.212 -10.914 26.744 648 HD23 LEU 81 HD23 LEU 81 -7.971 -11.763 28.267 649 H GLY 82 HN GLY 82 -3.722 -7.641 28.543 650 HA2 GLY 82 HA2 GLY 82 -2.474 -7.728 30.478 651 HA3 GLY 82 HA1 GLY 82 -3.912 -7.231 31.363 652 H LEU 83 HN LEU 83 -3.003 -10.101 29.442 653 HA LEU 83 HA LEU 83 -4.433 -11.888 31.143 654 HB2 LEU 83 HB2 LEU 83 -2.347 -12.349 29.002 655 HB3 LEU 83 HB1 LEU 83 -3.179 -13.654 29.838 656 HG LEU 83 HG LEU 83 -4.598 -11.425 28.347 657 HD11 LEU 83 HD11 LEU 83 -4.062 -14.279 27.471 658 HD12 LEU 83 HD12 LEU 83 -3.244 -12.857 26.826 659 HD13 LEU 83 HD13 LEU 83 -4.976 -13.071 26.570 660 HD21 LEU 83 HD21 LEU 83 -5.457 -13.845 29.908 661 HD22 LEU 83 HD22 LEU 83 -6.376 -13.449 28.466 662 HD23 LEU 83 HD23 LEU 83 -6.228 -12.268 29.756 663 H GLU 84 HN GLU 84 -1.234 -10.577 31.165 664 HA GLU 84 HA GLU 84 -0.372 -12.532 33.214 665 HB2 GLU 84 HB2 GLU 84 1.160 -10.519 31.551 666 HB3 GLU 84 HB1 GLU 84 1.878 -11.473 32.850 667 HG2 GLU 84 HG2 GLU 84 1.303 -13.544 31.715 668 HG3 GLU 84 HG1 GLU 84 0.438 -12.657 30.460 669 H HIS 85 HN HIS 85 -1.239 -9.195 32.708 670 HA HIS 85 HA HIS 85 -0.047 -7.968 34.911 671 HB2 HIS 85 HB2 HIS 85 -2.768 -7.425 33.696 672 HB3 HIS 85 HB1 HIS 85 -1.895 -6.335 34.775 673 HD2 HIS 85 HD2 HIS 85 0.957 -7.472 32.848 674 HE1 HIS 85 HE1 HIS 85 -0.787 -4.653 30.235 675 HE2 HIS 85 HE2 HIS 85 1.310 -6.000 30.721 676 H HIS 86 HN HIS 86 -3.525 -8.681 34.883 677 HA HIS 86 HA HIS 86 -3.302 -10.017 37.496 678 HB2 HIS 86 HB2 HIS 86 -4.877 -7.497 36.947 679 HB3 HIS 86 HB1 HIS 86 -5.244 -8.572 38.297 680 HD2 HIS 86 HD2 HIS 86 -3.501 -8.348 40.476 681 HE1 HIS 86 HE1 HIS 86 -0.795 -5.633 38.706 682 HE2 HIS 86 HE2 HIS 86 -1.425 -6.813 40.865 683 H HIS 87 HN HIS 87 -4.127 -11.936 36.900 684 HA HIS 87 HA HIS 87 -6.938 -12.019 36.113 685 HB2 HIS 87 HB2 HIS 87 -5.601 -11.951 33.976 686 HB3 HIS 87 HB1 HIS 87 -4.865 -13.477 34.461 687 HD2 HIS 87 HD2 HIS 87 -8.386 -12.134 33.302 688 HE1 HIS 87 HE1 HIS 87 -8.532 -16.353 33.385 689 HE2 HIS 87 HE2 HIS 87 -9.798 -14.253 32.724 690 H HIS 88 HN HIS 88 -4.860 -12.871 38.268 691 HA HIS 88 HA HIS 88 -5.294 -15.769 38.321 692 HB2 HIS 88 HB2 HIS 88 -3.833 -13.949 40.252 693 HB3 HIS 88 HB1 HIS 88 -3.854 -15.712 40.309 694 HD2 HIS 88 HD2 HIS 88 -3.542 -15.645 36.779 695 HE1 HIS 88 HE1 HIS 88 0.346 -14.436 37.891 696 HE2 HIS 88 HE2 HIS 88 -1.075 -15.333 35.987 697 H HIS 89 HN HIS 89 -7.665 -15.453 38.486 698 HA HIS 89 HA HIS 89 -8.858 -14.254 40.766 699 HB2 HIS 89 HB2 HIS 89 -9.828 -16.342 38.809 700 HB3 HIS 89 HB1 HIS 89 -10.836 -15.713 40.112 701 HD2 HIS 89 HD2 HIS 89 -11.900 -13.164 39.640 702 HE1 HIS 89 HE1 HIS 89 -9.891 -12.427 36.001 703 HE2 HIS 89 HE2 HIS 89 -11.670 -11.559 37.593 704 H HIS 90 HN HIS 90 -7.864 -17.580 40.032 705 HA HIS 90 HA HIS 90 -7.538 -18.160 42.840 706 HB2 HIS 90 HB2 HIS 90 -9.148 -19.970 42.973 707 HB3 HIS 90 HB1 HIS 90 -9.990 -18.489 42.515 708 HD2 HIS 90 HD2 HIS 90 -11.389 -18.687 40.126 709 HE1 HIS 90 HE1 HIS 90 -9.673 -22.293 38.756 710 HE2 HIS 90 HE2 HIS 90 -11.443 -20.535 38.280 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -0.087 -0.634 19.355 2 H2 MET 1 HT2 MET 1 0.959 0.680 19.604 3 H3 MET 1 HT3 MET 1 -0.682 0.807 20.025 4 HA MET 1 HA MET 1 0.092 -1.354 21.442 5 HB2 MET 1 HB2 MET 1 2.333 0.692 21.397 6 HB3 MET 1 HB1 MET 1 2.198 -0.625 22.561 7 HG2 MET 1 HG2 MET 1 2.346 -1.003 19.557 8 HG3 MET 1 HG1 MET 1 3.719 -1.170 20.647 9 HE1 MET 1 HE1 MET 1 3.278 -4.178 22.647 10 HE2 MET 1 HE2 MET 1 2.314 -2.854 23.298 11 HE3 MET 1 HE3 MET 1 3.861 -2.513 22.530 12 H GLY 2 HN GLY 2 -1.130 -1.056 23.191 13 HA2 GLY 2 HA2 GLY 2 -2.039 -0.035 25.062 14 HA3 GLY 2 HA1 GLY 2 -1.070 1.394 24.711 15 H GLN 3 HN GLN 3 -2.928 0.160 22.102 16 HA GLN 3 HA GLN 3 -5.205 1.933 22.651 17 HB2 GLN 3 HB2 GLN 3 -3.465 3.265 21.408 18 HB3 GLN 3 HB1 GLN 3 -3.615 2.116 20.079 19 HG2 GLN 3 HG2 GLN 3 -5.045 4.025 19.617 20 HG3 GLN 3 HG1 GLN 3 -6.063 2.630 19.974 21 HE21 GLN 3 HE21 GLN 3 -7.853 3.532 21.050 22 HE22 GLN 3 HE22 GLN 3 -7.737 4.549 22.404 23 H ILE 4 HN ILE 4 -7.074 1.394 21.528 24 HA ILE 4 HA ILE 4 -7.146 -1.338 20.515 25 HB ILE 4 HB ILE 4 -9.318 0.644 21.063 26 HG12 ILE 4 HG12 ILE 4 -8.610 -1.905 22.527 27 HG13 ILE 4 HG11 ILE 4 -8.010 -0.320 23.018 28 HG21 ILE 4 HG21 ILE 4 -9.357 -2.202 20.062 29 HG22 ILE 4 HG22 ILE 4 -10.175 -0.795 19.381 30 HG23 ILE 4 HG23 ILE 4 -10.743 -1.495 20.895 31 HD11 ILE 4 HD11 ILE 4 -10.003 -0.803 24.310 32 HD12 ILE 4 HD12 ILE 4 -10.907 -1.196 22.848 33 HD13 ILE 4 HD13 ILE 4 -10.397 0.465 23.149 34 H PHE 5 HN PHE 5 -7.402 -1.915 18.433 35 HA PHE 5 HA PHE 5 -6.948 -0.047 16.359 36 HB2 PHE 5 HB2 PHE 5 -7.952 -2.896 16.341 37 HB3 PHE 5 HB1 PHE 5 -7.634 -1.984 14.867 38 HD1 PHE 5 HD2 PHE 5 -5.325 -1.106 14.422 39 HD2 PHE 5 HD1 PHE 5 -6.173 -3.807 17.652 40 HE1 PHE 5 HE2 PHE 5 -2.910 -1.637 14.612 41 HE2 PHE 5 HE1 PHE 5 -3.758 -4.338 17.843 42 HZ PHE 5 HZ PHE 5 -2.126 -3.252 16.322 43 H THR 6 HN THR 6 -8.302 1.144 15.147 44 HA THR 6 HA THR 6 -11.081 1.302 15.910 45 HB THR 6 HB THR 6 -9.744 2.707 13.595 46 HG1 THR 6 HG1 THR 6 -8.551 3.037 15.502 47 HG21 THR 6 HG21 THR 6 -12.147 2.962 13.629 48 HG22 THR 6 HG22 THR 6 -11.438 4.463 14.216 49 HG23 THR 6 HG23 THR 6 -12.134 3.312 15.357 50 H VAL 7 HN VAL 7 -12.834 1.187 14.364 51 HA VAL 7 HA VAL 7 -12.850 -1.224 12.896 52 HB VAL 7 HB VAL 7 -15.050 -0.387 12.024 53 HG11 VAL 7 HG11 VAL 7 -14.690 -0.001 15.007 54 HG12 VAL 7 HG12 VAL 7 -14.760 -1.579 14.222 55 HG13 VAL 7 HG13 VAL 7 -16.159 -0.505 14.169 56 HG21 VAL 7 HG21 VAL 7 -14.319 2.047 13.684 57 HG22 VAL 7 HG22 VAL 7 -15.902 1.739 12.971 58 HG23 VAL 7 HG23 VAL 7 -14.505 2.005 11.930 59 H GLN 8 HN GLN 8 -12.390 2.145 11.938 60 HA GLN 8 HA GLN 8 -12.632 1.945 9.187 61 HB2 GLN 8 HB2 GLN 8 -12.248 4.057 10.445 62 HB3 GLN 8 HB1 GLN 8 -10.570 3.571 10.690 63 HG2 GLN 8 HG2 GLN 8 -10.192 3.526 8.276 64 HG3 GLN 8 HG1 GLN 8 -11.885 3.919 7.983 65 HE21 GLN 8 HE21 GLN 8 -11.770 6.034 7.153 66 HE22 GLN 8 HE22 GLN 8 -11.003 7.324 7.945 67 H GLU 9 HN GLU 9 -9.744 1.348 11.182 68 HA GLU 9 HA GLU 9 -8.077 0.632 8.981 69 HB2 GLU 9 HB2 GLU 9 -7.193 1.393 11.164 70 HB3 GLU 9 HB1 GLU 9 -7.787 -0.092 11.905 71 HG2 GLU 9 HG2 GLU 9 -6.354 -1.431 10.436 72 HG3 GLU 9 HG1 GLU 9 -5.801 0.027 9.617 73 H LEU 10 HN LEU 10 -10.148 -1.166 11.183 74 HA LEU 10 HA LEU 10 -9.277 -3.753 10.477 75 HB2 LEU 10 HB2 LEU 10 -10.792 -2.982 12.443 76 HB3 LEU 10 HB1 LEU 10 -12.111 -3.143 11.284 77 HG LEU 10 HG LEU 10 -10.988 -5.520 10.822 78 HD11 LEU 10 HD11 LEU 10 -10.035 -6.475 12.903 79 HD12 LEU 10 HD12 LEU 10 -10.138 -4.887 13.665 80 HD13 LEU 10 HD13 LEU 10 -9.051 -5.141 12.302 81 HD21 LEU 10 HD21 LEU 10 -12.410 -6.452 12.724 82 HD22 LEU 10 HD22 LEU 10 -13.246 -5.364 11.615 83 HD23 LEU 10 HD23 LEU 10 -12.722 -4.780 13.194 84 H LYS 11 HN LYS 11 -11.677 -1.592 9.082 85 HA LYS 11 HA LYS 11 -12.998 -3.384 7.395 86 HB2 LYS 11 HB2 LYS 11 -12.396 -0.439 7.157 87 HB3 LYS 11 HB1 LYS 11 -13.342 -1.296 5.940 88 HG2 LYS 11 HG2 LYS 11 -14.959 -1.986 7.643 89 HG3 LYS 11 HG1 LYS 11 -14.001 -1.209 8.899 90 HD2 LYS 11 HD2 LYS 11 -14.319 0.978 7.794 91 HD3 LYS 11 HD1 LYS 11 -15.287 0.198 6.542 92 HE2 LYS 11 HE2 LYS 11 -16.893 -0.558 8.271 93 HE3 LYS 11 HE1 LYS 11 -15.933 0.263 9.501 94 HZ1 LYS 11 HZ1 LYS 11 -16.979 2.134 9.028 95 HZ2 LYS 11 HZ2 LYS 11 -17.905 1.345 7.842 96 HZ3 LYS 11 HZ3 LYS 11 -16.425 2.068 7.427 97 H GLU 12 HN GLU 12 -9.998 -1.558 6.890 98 HA GLU 12 HA GLU 12 -9.608 -2.310 4.189 99 HB2 GLU 12 HB2 GLU 12 -8.415 -0.437 5.284 100 HB3 GLU 12 HB1 GLU 12 -7.532 -1.599 6.274 101 HG2 GLU 12 HG2 GLU 12 -6.572 -2.620 4.256 102 HG3 GLU 12 HG1 GLU 12 -7.489 -1.507 3.243 103 H ARG 13 HN ARG 13 -8.374 -3.679 7.236 104 HA ARG 13 HA ARG 13 -6.972 -5.816 5.928 105 HB2 ARG 13 HB2 ARG 13 -7.727 -5.327 8.814 106 HB3 ARG 13 HB1 ARG 13 -6.787 -6.720 8.276 107 HG2 ARG 13 HG2 ARG 13 -5.088 -5.225 7.315 108 HG3 ARG 13 HG1 ARG 13 -6.028 -3.820 7.818 109 HD2 ARG 13 HD2 ARG 13 -5.817 -4.524 10.174 110 HD3 ARG 13 HD1 ARG 13 -4.866 -5.920 9.672 111 HE ARG 13 HE ARG 13 -3.968 -3.150 9.781 112 HH11 ARG 13 HH21 ARG 13 -3.483 -6.358 8.579 113 HH12 ARG 13 HH22 ARG 13 -1.789 -6.142 8.288 114 HH21 ARG 13 HH11 ARG 13 -1.746 -2.859 9.403 115 HH22 ARG 13 HH12 ARG 13 -0.806 -4.160 8.756 116 H ALA 14 HN ALA 14 -10.202 -5.311 7.046 117 HA ALA 14 HA ALA 14 -10.927 -8.067 7.306 118 HB1 ALA 14 HB1 ALA 14 -12.184 -6.279 8.446 119 HB2 ALA 14 HB2 ALA 14 -13.233 -7.229 7.395 120 HB3 ALA 14 HB3 ALA 14 -12.679 -5.637 6.880 121 H LYS 15 HN LYS 15 -10.249 -6.132 4.650 122 HA LYS 15 HA LYS 15 -12.157 -6.921 2.757 123 HB2 LYS 15 HB2 LYS 15 -9.240 -6.211 2.497 124 HB3 LYS 15 HB1 LYS 15 -10.279 -6.513 1.103 125 HG2 LYS 15 HG2 LYS 15 -11.781 -4.715 1.786 126 HG3 LYS 15 HG1 LYS 15 -10.837 -4.453 3.252 127 HD2 LYS 15 HD2 LYS 15 -10.213 -2.794 1.566 128 HD3 LYS 15 HD1 LYS 15 -8.863 -3.886 1.863 129 HE2 LYS 15 HE2 LYS 15 -10.791 -4.569 -0.340 130 HE3 LYS 15 HE1 LYS 15 -9.594 -3.304 -0.622 131 HZ1 LYS 15 HZ1 LYS 15 -9.141 -5.943 -0.910 132 HZ2 LYS 15 HZ2 LYS 15 -8.530 -5.656 0.649 133 HZ3 LYS 15 HZ3 LYS 15 -7.936 -4.772 -0.674 134 H VAL 16 HN VAL 16 -9.069 -8.446 3.669 135 HA VAL 16 HA VAL 16 -8.151 -10.478 3.018 136 HB VAL 16 HB VAL 16 -10.981 -11.273 3.741 137 HG11 VAL 16 HG11 VAL 16 -9.925 -13.142 2.675 138 HG12 VAL 16 HG12 VAL 16 -9.778 -13.422 4.410 139 HG13 VAL 16 HG13 VAL 16 -8.395 -12.826 3.492 140 HG21 VAL 16 HG21 VAL 16 -9.984 -11.651 5.984 141 HG22 VAL 16 HG22 VAL 16 -9.874 -9.961 5.495 142 HG23 VAL 16 HG23 VAL 16 -8.453 -11.002 5.397 143 H PHE 17 HN PHE 17 -11.343 -11.504 2.022 144 HA PHE 17 HA PHE 17 -10.751 -11.180 -0.814 145 HB2 PHE 17 HB2 PHE 17 -9.648 -13.289 -0.330 146 HB3 PHE 17 HB1 PHE 17 -11.095 -13.899 0.472 147 HD1 PHE 17 HD2 PHE 17 -9.824 -12.615 -2.800 148 HD2 PHE 17 HD1 PHE 17 -12.814 -14.940 -0.773 149 HE1 PHE 17 HE2 PHE 17 -10.706 -13.387 -4.986 150 HE2 PHE 17 HE1 PHE 17 -13.696 -15.711 -2.958 151 HZ PHE 17 HZ PHE 17 -12.642 -14.935 -5.064 152 H ALA 18 HN ALA 18 -12.597 -11.870 -2.166 153 HA ALA 18 HA ALA 18 -15.028 -10.808 -1.195 154 HB1 ALA 18 HB1 ALA 18 -14.383 -12.491 -3.622 155 HB2 ALA 18 HB2 ALA 18 -14.618 -10.744 -3.552 156 HB3 ALA 18 HB3 ALA 18 -15.987 -11.828 -3.306 157 H LYS 19 HN LYS 19 -16.314 -11.708 0.268 158 HA LYS 19 HA LYS 19 -16.851 -14.595 0.056 159 HB2 LYS 19 HB2 LYS 19 -16.253 -13.114 2.615 160 HB3 LYS 19 HB1 LYS 19 -16.827 -14.778 2.506 161 HG2 LYS 19 HG2 LYS 19 -14.672 -14.850 0.770 162 HG3 LYS 19 HG1 LYS 19 -14.112 -13.689 1.971 163 HD2 LYS 19 HD2 LYS 19 -14.811 -15.391 3.734 164 HD3 LYS 19 HD1 LYS 19 -14.996 -16.538 2.406 165 HE2 LYS 19 HE2 LYS 19 -12.761 -16.794 3.304 166 HE3 LYS 19 HE1 LYS 19 -12.631 -16.023 1.723 167 HZ1 LYS 19 HZ1 LYS 19 -11.356 -15.032 3.714 168 HZ2 LYS 19 HZ2 LYS 19 -12.860 -14.376 4.150 169 HZ3 LYS 19 HZ3 LYS 19 -12.163 -13.986 2.651 170 HA PRO 20 HA PRO 20 -21.164 -13.606 0.205 171 HB2 PRO 20 HB2 PRO 20 -21.336 -15.611 2.431 172 HB3 PRO 20 HB1 PRO 20 -22.300 -15.496 0.947 173 HG2 PRO 20 HG2 PRO 20 -20.334 -17.309 1.259 174 HG3 PRO 20 HG1 PRO 20 -20.727 -16.590 -0.314 175 HD2 PRO 20 HD2 PRO 20 -18.361 -16.120 1.414 176 HD3 PRO 20 HD1 PRO 20 -18.564 -15.868 -0.332 177 H ILE 21 HN ILE 21 -22.458 -12.193 1.316 178 HA ILE 21 HA ILE 21 -21.395 -11.032 3.776 179 HB ILE 21 HB ILE 21 -23.126 -9.305 3.405 180 HG12 ILE 21 HG12 ILE 21 -23.779 -10.902 0.905 181 HG13 ILE 21 HG11 ILE 21 -24.802 -10.840 2.343 182 HG21 ILE 21 HG21 ILE 21 -22.153 -8.386 1.351 183 HG22 ILE 21 HG22 ILE 21 -21.526 -9.976 0.917 184 HG23 ILE 21 HG23 ILE 21 -20.893 -9.135 2.331 185 HD11 ILE 21 HD11 ILE 21 -24.011 -8.496 0.593 186 HD12 ILE 21 HD12 ILE 21 -24.919 -8.358 2.100 187 HD13 ILE 21 HD13 ILE 21 -25.616 -9.217 0.726 188 H GLY 22 HN GLY 22 -22.508 -10.912 5.715 189 HA2 GLY 22 HA2 GLY 22 -25.133 -12.095 6.014 190 HA3 GLY 22 HA1 GLY 22 -23.833 -13.053 6.718 191 H ALA 23 HN ALA 23 -25.859 -12.019 8.296 192 HA ALA 23 HA ALA 23 -25.179 -9.513 9.482 193 HB1 ALA 23 HB1 ALA 23 -26.783 -11.771 10.700 194 HB2 ALA 23 HB2 ALA 23 -27.446 -10.574 9.588 195 HB3 ALA 23 HB3 ALA 23 -26.826 -10.069 11.159 196 H SER 24 HN SER 24 -24.101 -12.783 9.927 197 HA SER 24 HA SER 24 -22.950 -12.329 12.542 198 HB2 SER 24 HB2 SER 24 -22.762 -14.590 10.551 199 HB3 SER 24 HB1 SER 24 -21.862 -14.579 12.065 200 HG SER 24 HG SER 24 -24.474 -15.117 11.604 201 H TYR 25 HN TYR 25 -22.031 -11.761 9.289 202 HA TYR 25 HA TYR 25 -19.199 -11.966 9.598 203 HB2 TYR 25 HB2 TYR 25 -20.202 -12.065 7.389 204 HB3 TYR 25 HB1 TYR 25 -20.879 -10.449 7.590 205 HD1 TYR 25 HD1 TYR 25 -17.631 -12.309 7.576 206 HD2 TYR 25 HD2 TYR 25 -19.621 -8.548 6.979 207 HE1 TYR 25 HE1 TYR 25 -15.515 -11.322 6.741 208 HE2 TYR 25 HE2 TYR 25 -17.506 -7.562 6.143 209 HH TYR 25 HH TYR 25 -14.688 -8.534 6.681 210 H GLN 26 HN GLN 26 -21.480 -9.240 9.675 211 HA GLN 26 HA GLN 26 -19.499 -7.262 10.203 212 HB2 GLN 26 HB2 GLN 26 -21.447 -5.837 10.821 213 HB3 GLN 26 HB1 GLN 26 -21.637 -6.622 9.254 214 HG2 GLN 26 HG2 GLN 26 -22.980 -8.405 10.319 215 HG3 GLN 26 HG1 GLN 26 -22.821 -7.586 11.872 216 HE21 GLN 26 HE21 GLN 26 -25.103 -7.102 12.068 217 HE22 GLN 26 HE22 GLN 26 -25.873 -5.987 11.046 218 H GLY 27 HN GLY 27 -20.983 -9.646 12.138 219 HA2 GLY 27 HA2 GLY 27 -21.172 -8.500 14.653 220 HA3 GLY 27 HA1 GLY 27 -20.735 -10.181 14.365 221 H ILE 28 HN ILE 28 -18.319 -9.433 12.850 222 HA ILE 28 HA ILE 28 -16.486 -9.353 15.030 223 HB ILE 28 HB ILE 28 -16.085 -10.465 12.800 224 HG12 ILE 28 HG12 ILE 28 -13.981 -8.417 13.564 225 HG13 ILE 28 HG11 ILE 28 -14.282 -9.891 14.485 226 HG21 ILE 28 HG21 ILE 28 -15.313 -7.707 11.833 227 HG22 ILE 28 HG22 ILE 28 -16.925 -8.358 11.547 228 HG23 ILE 28 HG23 ILE 28 -15.513 -9.185 10.891 229 HD11 ILE 28 HD11 ILE 28 -13.550 -9.808 11.544 230 HD12 ILE 28 HD12 ILE 28 -13.772 -11.259 12.522 231 HD13 ILE 28 HD13 ILE 28 -12.425 -10.170 12.853 232 H LEU 29 HN LEU 29 -17.911 -6.945 12.956 233 HA LEU 29 HA LEU 29 -16.004 -4.890 13.784 234 HB2 LEU 29 HB2 LEU 29 -17.130 -5.191 11.424 235 HB3 LEU 29 HB1 LEU 29 -18.478 -4.340 12.171 236 HG LEU 29 HG LEU 29 -16.680 -2.624 12.954 237 HD11 LEU 29 HD11 LEU 29 -15.178 -4.201 10.856 238 HD12 LEU 29 HD12 LEU 29 -14.620 -3.653 12.435 239 HD13 LEU 29 HD13 LEU 29 -14.828 -2.498 11.124 240 HD21 LEU 29 HD21 LEU 29 -16.899 -1.383 10.835 241 HD22 LEU 29 HD22 LEU 29 -18.424 -2.149 11.278 242 HD23 LEU 29 HD23 LEU 29 -17.414 -2.858 10.018 243 H ASP 30 HN ASP 30 -19.405 -5.746 14.200 244 HA ASP 30 HA ASP 30 -20.229 -3.457 15.601 245 HB2 ASP 30 HB2 ASP 30 -21.805 -5.112 14.711 246 HB3 ASP 30 HB1 ASP 30 -21.216 -6.306 15.866 247 H GLN 31 HN GLN 31 -18.714 -6.458 16.697 248 HA GLN 31 HA GLN 31 -18.972 -5.975 19.474 249 HB2 GLN 31 HB2 GLN 31 -18.375 -8.184 18.400 250 HB3 GLN 31 HB1 GLN 31 -16.760 -7.536 18.119 251 HG2 GLN 31 HG2 GLN 31 -16.686 -8.778 20.177 252 HG3 GLN 31 HG1 GLN 31 -16.618 -7.067 20.597 253 HE21 GLN 31 HE21 GLN 31 -17.853 -6.781 22.460 254 HE22 GLN 31 HE22 GLN 31 -19.385 -7.461 22.722 255 H LEU 32 HN LEU 32 -16.543 -5.055 17.080 256 HA LEU 32 HA LEU 32 -14.563 -4.171 18.859 257 HB2 LEU 32 HB2 LEU 32 -14.631 -4.405 16.199 258 HB3 LEU 32 HB1 LEU 32 -15.016 -2.688 16.289 259 HG LEU 32 HG LEU 32 -12.615 -2.926 16.091 260 HD11 LEU 32 HD11 LEU 32 -13.673 -1.243 17.739 261 HD12 LEU 32 HD12 LEU 32 -11.951 -1.573 17.921 262 HD13 LEU 32 HD13 LEU 32 -13.107 -2.333 19.008 263 HD21 LEU 32 HD21 LEU 32 -12.914 -5.324 17.454 264 HD22 LEU 32 HD22 LEU 32 -12.176 -4.301 18.686 265 HD23 LEU 32 HD23 LEU 32 -11.373 -4.537 17.137 266 H ASP 33 HN ASP 33 -17.149 -2.323 17.258 267 HA ASP 33 HA ASP 33 -16.569 0.132 18.519 268 HB2 ASP 33 HB2 ASP 33 -18.005 -0.196 16.476 269 HB3 ASP 33 HB1 ASP 33 -19.277 -0.785 17.546 270 H LEU 34 HN LEU 34 -18.566 -2.604 19.419 271 HA LEU 34 HA LEU 34 -19.941 -1.414 21.567 272 HB2 LEU 34 HB2 LEU 34 -20.339 -3.699 20.422 273 HB3 LEU 34 HB1 LEU 34 -19.113 -4.308 21.533 274 HG LEU 34 HG LEU 34 -20.600 -3.025 23.349 275 HD11 LEU 34 HD11 LEU 34 -22.116 -2.191 21.441 276 HD12 LEU 34 HD12 LEU 34 -22.917 -2.894 22.846 277 HD13 LEU 34 HD13 LEU 34 -22.733 -3.840 21.367 278 HD21 LEU 34 HD21 LEU 34 -21.399 -5.689 22.126 279 HD22 LEU 34 HD22 LEU 34 -21.828 -5.135 23.745 280 HD23 LEU 34 HD23 LEU 34 -20.141 -5.449 23.339 281 H VAL 35 HN VAL 35 -16.826 -3.082 21.400 282 HA VAL 35 HA VAL 35 -16.268 -3.280 24.121 283 HB VAL 35 HB VAL 35 -14.473 -2.875 21.725 284 HG11 VAL 35 HG11 VAL 35 -13.148 -2.008 23.496 285 HG12 VAL 35 HG12 VAL 35 -12.655 -3.698 23.369 286 HG13 VAL 35 HG13 VAL 35 -13.763 -3.195 24.646 287 HG21 VAL 35 HG21 VAL 35 -15.848 -5.026 22.178 288 HG22 VAL 35 HG22 VAL 35 -14.730 -5.297 23.514 289 HG23 VAL 35 HG23 VAL 35 -14.124 -5.212 21.859 290 H HIS 36 HN HIS 36 -16.395 -0.496 22.072 291 HA HIS 36 HA HIS 36 -14.824 1.182 23.852 292 HB2 HIS 36 HB2 HIS 36 -14.911 1.482 21.352 293 HB3 HIS 36 HB1 HIS 36 -16.575 2.032 21.542 294 HD2 HIS 36 HD2 HIS 36 -12.959 3.369 22.077 295 HE1 HIS 36 HE1 HIS 36 -15.619 6.359 23.419 296 HE2 HIS 36 HE2 HIS 36 -13.190 5.838 22.892 297 H GLN 37 HN GLN 37 -18.241 0.851 22.909 298 HA GLN 37 HA GLN 37 -19.070 2.806 24.901 299 HB2 GLN 37 HB2 GLN 37 -20.128 2.404 22.563 300 HB3 GLN 37 HB1 GLN 37 -20.929 1.033 23.327 301 HG2 GLN 37 HG2 GLN 37 -22.437 2.878 23.541 302 HG3 GLN 37 HG1 GLN 37 -21.708 2.662 25.132 303 HE21 GLN 37 HE21 GLN 37 -21.814 4.774 22.300 304 HE22 GLN 37 HE22 GLN 37 -20.945 6.051 23.002 305 H ALA 38 HN ALA 38 -18.373 -0.493 24.845 306 HA ALA 38 HA ALA 38 -20.365 -1.431 26.671 307 HB1 ALA 38 HB1 ALA 38 -17.664 -2.547 25.899 308 HB2 ALA 38 HB2 ALA 38 -19.236 -3.018 25.251 309 HB3 ALA 38 HB3 ALA 38 -18.833 -3.377 26.925 310 H LYS 39 HN LYS 39 -20.314 -1.625 28.863 311 HA LYS 39 HA LYS 39 -18.483 0.108 30.284 312 HB2 LYS 39 HB2 LYS 39 -20.514 -1.716 31.559 313 HB3 LYS 39 HB1 LYS 39 -19.891 -0.173 32.147 314 HG2 LYS 39 HG2 LYS 39 -21.753 -0.639 29.806 315 HG3 LYS 39 HG1 LYS 39 -22.081 0.273 31.278 316 HD2 LYS 39 HD2 LYS 39 -20.109 1.782 30.561 317 HD3 LYS 39 HD1 LYS 39 -20.264 1.016 28.980 318 HE2 LYS 39 HE2 LYS 39 -22.498 2.453 30.450 319 HE3 LYS 39 HE1 LYS 39 -21.577 3.116 29.100 320 HZ1 LYS 39 HZ1 LYS 39 -23.643 2.167 28.328 321 HZ2 LYS 39 HZ2 LYS 39 -23.260 0.670 29.034 322 HZ3 LYS 39 HZ3 LYS 39 -22.338 1.261 27.735 323 H GLY 40 HN GLY 40 -17.679 -0.806 32.498 324 HA2 GLY 40 HA2 GLY 40 -15.592 -2.563 32.041 325 HA3 GLY 40 HA1 GLY 40 -16.291 -2.259 33.629 326 H ARG 41 HN ARG 41 -18.952 -3.278 32.648 327 HA ARG 41 HA ARG 41 -18.451 -6.094 33.239 328 HB2 ARG 41 HB2 ARG 41 -20.997 -4.500 32.865 329 HB3 ARG 41 HB1 ARG 41 -20.949 -6.214 33.281 330 HG2 ARG 41 HG2 ARG 41 -19.698 -5.714 35.326 331 HG3 ARG 41 HG1 ARG 41 -19.661 -4.000 34.905 332 HD2 ARG 41 HD2 ARG 41 -22.136 -3.949 34.958 333 HD3 ARG 41 HD1 ARG 41 -22.150 -5.647 35.428 334 HE ARG 41 HE ARG 41 -20.552 -4.035 37.200 335 HH11 ARG 41 HH21 ARG 41 -23.757 -5.045 36.377 336 HH12 ARG 41 HH22 ARG 41 -24.390 -4.807 37.972 337 HH21 ARG 41 HH11 ARG 41 -21.374 -3.721 39.294 338 HH22 ARG 41 HH12 ARG 41 -23.041 -4.058 39.623 339 H ASP 42 HN ASP 42 -20.329 -4.335 30.761 340 HA ASP 42 HA ASP 42 -20.627 -6.581 29.056 341 HB2 ASP 42 HB2 ASP 42 -22.055 -4.513 29.039 342 HB3 ASP 42 HB1 ASP 42 -20.722 -3.666 28.257 343 H GLN 43 HN GLN 43 -18.126 -4.192 29.434 344 HA GLN 43 HA GLN 43 -16.837 -4.489 26.942 345 HB2 GLN 43 HB2 GLN 43 -16.335 -2.622 28.434 346 HB3 GLN 43 HB1 GLN 43 -15.661 -3.735 29.627 347 HG2 GLN 43 HG2 GLN 43 -13.892 -4.382 28.113 348 HG3 GLN 43 HG1 GLN 43 -14.633 -3.479 26.793 349 HE21 GLN 43 HE21 GLN 43 -11.942 -2.968 27.734 350 HE22 GLN 43 HE22 GLN 43 -11.921 -1.405 28.395 351 H ILE 44 HN ILE 44 -16.484 -6.168 30.037 352 HA ILE 44 HA ILE 44 -14.267 -7.777 29.306 353 HB ILE 44 HB ILE 44 -16.433 -8.150 31.388 354 HG12 ILE 44 HG12 ILE 44 -13.497 -7.488 31.719 355 HG13 ILE 44 HG11 ILE 44 -14.738 -6.244 31.550 356 HG21 ILE 44 HG21 ILE 44 -14.696 -9.812 32.337 357 HG22 ILE 44 HG22 ILE 44 -13.996 -9.815 30.717 358 HG23 ILE 44 HG23 ILE 44 -15.657 -10.356 30.962 359 HD11 ILE 44 HD11 ILE 44 -14.302 -6.683 33.928 360 HD12 ILE 44 HD12 ILE 44 -14.656 -8.394 33.687 361 HD13 ILE 44 HD13 ILE 44 -15.936 -7.195 33.505 362 H ALA 45 HN ALA 45 -17.771 -8.307 29.154 363 HA ALA 45 HA ALA 45 -17.744 -10.979 28.323 364 HB1 ALA 45 HB1 ALA 45 -19.801 -9.897 29.013 365 HB2 ALA 45 HB2 ALA 45 -19.988 -10.478 27.358 366 HB3 ALA 45 HB3 ALA 45 -19.698 -8.766 27.663 367 H ALA 46 HN ALA 46 -17.322 -8.000 26.497 368 HA ALA 46 HA ALA 46 -17.564 -9.061 23.894 369 HB1 ALA 46 HB1 ALA 46 -15.982 -6.701 24.933 370 HB2 ALA 46 HB2 ALA 46 -17.611 -6.672 24.258 371 HB3 ALA 46 HB3 ALA 46 -16.235 -7.062 23.227 372 H SER 47 HN SER 47 -14.866 -8.866 26.162 373 HA SER 47 HA SER 47 -12.818 -9.581 24.378 374 HB2 SER 47 HB2 SER 47 -11.490 -10.058 26.318 375 HB3 SER 47 HB1 SER 47 -12.516 -8.681 26.712 376 HG SER 47 HG SER 47 -12.765 -10.065 28.384 377 H PHE 48 HN PHE 48 -14.885 -11.570 26.471 378 HA PHE 48 HA PHE 48 -13.702 -14.058 25.835 379 HB2 PHE 48 HB2 PHE 48 -16.416 -13.256 26.884 380 HB3 PHE 48 HB1 PHE 48 -16.021 -14.944 26.560 381 HD1 PHE 48 HD2 PHE 48 -14.090 -16.017 27.740 382 HD2 PHE 48 HD1 PHE 48 -15.535 -12.114 28.799 383 HE1 PHE 48 HE2 PHE 48 -12.895 -16.165 29.906 384 HE2 PHE 48 HE1 PHE 48 -14.336 -12.264 30.967 385 HZ PHE 48 HZ PHE 48 -13.019 -14.287 31.519 386 H GLU 49 HN GLU 49 -16.499 -12.348 24.449 387 HA GLU 49 HA GLU 49 -17.132 -14.366 22.550 388 HB2 GLU 49 HB2 GLU 49 -18.723 -12.610 23.259 389 HB3 GLU 49 HB1 GLU 49 -17.729 -11.402 22.445 390 HG2 GLU 49 HG2 GLU 49 -18.073 -12.521 20.296 391 HG3 GLU 49 HG1 GLU 49 -18.994 -13.800 21.086 392 H LEU 50 HN LEU 50 -15.336 -11.314 22.304 393 HA LEU 50 HA LEU 50 -14.686 -11.561 19.573 394 HB2 LEU 50 HB2 LEU 50 -14.484 -9.448 20.867 395 HB3 LEU 50 HB1 LEU 50 -13.111 -10.136 21.735 396 HG LEU 50 HG LEU 50 -11.919 -10.430 19.573 397 HD11 LEU 50 HD11 LEU 50 -13.027 -8.913 17.672 398 HD12 LEU 50 HD12 LEU 50 -14.514 -9.362 18.511 399 HD13 LEU 50 HD13 LEU 50 -13.460 -10.613 17.851 400 HD21 LEU 50 HD21 LEU 50 -12.894 -7.681 20.365 401 HD22 LEU 50 HD22 LEU 50 -11.687 -7.908 19.098 402 HD23 LEU 50 HD23 LEU 50 -11.352 -8.450 20.742 403 H ASN 51 HN ASN 51 -13.035 -12.638 22.516 404 HA ASN 51 HA ASN 51 -10.621 -13.468 21.360 405 HB2 ASN 51 HB2 ASN 51 -10.876 -13.328 23.766 406 HB3 ASN 51 HB1 ASN 51 -12.132 -14.565 23.743 407 HD21 ASN 51 HD21 ASN 51 -9.730 -15.287 21.446 408 HD22 ASN 51 HD22 ASN 51 -8.837 -16.392 22.375 409 H LYS 52 HN LYS 52 -13.616 -15.303 21.954 410 HA LYS 52 HA LYS 52 -12.696 -17.733 20.832 411 HB2 LYS 52 HB2 LYS 52 -15.480 -16.626 21.230 412 HB3 LYS 52 HB1 LYS 52 -15.157 -18.258 20.642 413 HG2 LYS 52 HG2 LYS 52 -13.809 -18.699 22.690 414 HG3 LYS 52 HG1 LYS 52 -14.241 -17.095 23.289 415 HD2 LYS 52 HD2 LYS 52 -16.216 -19.288 22.590 416 HD3 LYS 52 HD1 LYS 52 -15.723 -18.852 24.225 417 HE2 LYS 52 HE2 LYS 52 -17.653 -17.572 24.051 418 HE3 LYS 52 HE1 LYS 52 -16.485 -16.415 23.412 419 HZ1 LYS 52 HZ1 LYS 52 -18.701 -17.448 22.124 420 HZ2 LYS 52 HZ2 LYS 52 -17.361 -18.172 21.374 421 HZ3 LYS 52 HZ3 LYS 52 -17.483 -16.479 21.447 422 H LYS 53 HN LYS 53 -14.372 -14.939 19.467 423 HA LYS 53 HA LYS 53 -14.901 -16.020 16.919 424 HB2 LYS 53 HB2 LYS 53 -15.875 -13.917 17.838 425 HB3 LYS 53 HB1 LYS 53 -14.313 -13.136 17.601 426 HG2 LYS 53 HG2 LYS 53 -14.411 -13.648 15.190 427 HG3 LYS 53 HG1 LYS 53 -15.973 -14.433 15.417 428 HD2 LYS 53 HD2 LYS 53 -15.504 -11.562 16.239 429 HD3 LYS 53 HD1 LYS 53 -16.002 -11.985 14.601 430 HE2 LYS 53 HE2 LYS 53 -17.953 -13.258 15.662 431 HE3 LYS 53 HE1 LYS 53 -17.512 -12.481 17.182 432 HZ1 LYS 53 HZ1 LYS 53 -18.051 -10.983 14.689 433 HZ2 LYS 53 HZ2 LYS 53 -17.886 -10.361 16.261 434 HZ3 LYS 53 HZ3 LYS 53 -19.237 -11.309 15.857 435 H ILE 54 HN ILE 54 -12.146 -14.128 18.143 436 HA ILE 54 HA ILE 54 -10.732 -14.051 15.684 437 HB ILE 54 HB ILE 54 -9.805 -13.786 18.552 438 HG12 ILE 54 HG12 ILE 54 -10.120 -11.695 16.380 439 HG13 ILE 54 HG11 ILE 54 -11.379 -12.061 17.561 440 HG21 ILE 54 HG21 ILE 54 -7.855 -14.449 17.361 441 HG22 ILE 54 HG22 ILE 54 -7.774 -12.687 17.407 442 HG23 ILE 54 HG23 ILE 54 -8.306 -13.508 15.941 443 HD11 ILE 54 HD11 ILE 54 -8.560 -11.165 18.230 444 HD12 ILE 54 HD12 ILE 54 -9.838 -11.502 19.397 445 HD13 ILE 54 HD13 ILE 54 -9.993 -10.140 18.286 446 H ASN 55 HN ASN 55 -10.561 -16.219 18.493 447 HA ASN 55 HA ASN 55 -8.428 -17.809 17.551 448 HB2 ASN 55 HB2 ASN 55 -9.101 -17.878 19.880 449 HB3 ASN 55 HB1 ASN 55 -10.694 -18.490 19.437 450 HD21 ASN 55 HD21 ASN 55 -7.848 -19.558 20.696 451 HD22 ASN 55 HD22 ASN 55 -7.839 -21.147 20.098 452 H ASP 56 HN ASP 56 -11.937 -18.075 17.174 453 HA ASP 56 HA ASP 56 -11.987 -20.594 15.907 454 HB2 ASP 56 HB2 ASP 56 -13.991 -19.486 16.838 455 HB3 ASP 56 HB1 ASP 56 -13.898 -18.272 15.562 456 H TYR 57 HN TYR 57 -11.634 -17.312 14.643 457 HA TYR 57 HA TYR 57 -11.854 -17.895 11.905 458 HB2 TYR 57 HB2 TYR 57 -10.595 -15.715 13.527 459 HB3 TYR 57 HB1 TYR 57 -10.149 -15.820 11.825 460 HD1 TYR 57 HD1 TYR 57 -13.412 -16.632 13.473 461 HD2 TYR 57 HD2 TYR 57 -11.281 -14.027 10.806 462 HE1 TYR 57 HE1 TYR 57 -15.542 -15.546 12.834 463 HE2 TYR 57 HE2 TYR 57 -13.413 -12.937 10.167 464 HH TYR 57 HH TYR 57 -15.972 -12.862 11.734 465 H ILE 58 HN ILE 58 -9.033 -17.942 14.058 466 HA ILE 58 HA ILE 58 -7.116 -18.523 12.072 467 HB ILE 58 HB ILE 58 -7.177 -19.136 15.035 468 HG12 ILE 58 HG12 ILE 58 -5.590 -17.067 13.497 469 HG13 ILE 58 HG11 ILE 58 -7.172 -16.723 14.210 470 HG21 ILE 58 HG21 ILE 58 -5.014 -19.504 12.953 471 HG22 ILE 58 HG22 ILE 58 -5.615 -20.684 14.118 472 HG23 ILE 58 HG23 ILE 58 -4.639 -19.320 14.668 473 HD11 ILE 58 HD11 ILE 58 -4.671 -17.617 15.672 474 HD12 ILE 58 HD12 ILE 58 -6.258 -17.480 16.426 475 HD13 ILE 58 HD13 ILE 58 -5.458 -16.043 15.788 476 H ALA 59 HN ALA 59 -9.047 -20.629 14.183 477 HA ALA 59 HA ALA 59 -7.935 -23.077 13.312 478 HB1 ALA 59 HB1 ALA 59 -9.373 -22.689 15.368 479 HB2 ALA 59 HB2 ALA 59 -9.757 -24.130 14.425 480 HB3 ALA 59 HB3 ALA 59 -10.765 -22.689 14.285 481 H GLU 60 HN GLU 60 -10.585 -21.094 12.113 482 HA GLU 60 HA GLU 60 -11.556 -23.016 10.234 483 HB2 GLU 60 HB2 GLU 60 -12.878 -21.073 11.128 484 HB3 GLU 60 HB1 GLU 60 -11.878 -20.010 10.137 485 HG2 GLU 60 HG2 GLU 60 -13.870 -20.487 8.870 486 HG3 GLU 60 HG1 GLU 60 -12.558 -21.402 8.128 487 H HIS 61 HN HIS 61 -9.302 -20.288 10.050 488 HA HIS 61 HA HIS 61 -8.305 -21.343 7.476 489 HB2 HIS 61 HB2 HIS 61 -8.831 -18.417 8.020 490 HB3 HIS 61 HB1 HIS 61 -8.210 -19.125 6.528 491 HD2 HIS 61 HD2 HIS 61 -11.605 -18.317 8.121 492 HE1 HIS 61 HE1 HIS 61 -12.398 -20.964 4.928 493 HE2 HIS 61 HE2 HIS 61 -13.451 -19.384 6.615 494 HA PRO 62 HA PRO 62 -4.958 -20.243 10.539 495 HB2 PRO 62 HB2 PRO 62 -3.814 -22.726 10.729 496 HB3 PRO 62 HB1 PRO 62 -5.165 -22.204 11.755 497 HG2 PRO 62 HG2 PRO 62 -5.187 -23.963 9.351 498 HG3 PRO 62 HG1 PRO 62 -6.154 -24.065 10.832 499 HD2 PRO 62 HD2 PRO 62 -7.087 -23.025 8.436 500 HD3 PRO 62 HD1 PRO 62 -7.765 -22.616 10.024 501 H THR 63 HN THR 63 -5.174 -21.666 7.425 502 HA THR 63 HA THR 63 -2.302 -21.465 6.879 503 HB THR 63 HB THR 63 -2.808 -22.516 4.775 504 HG1 THR 63 HG1 THR 63 -4.656 -21.527 4.149 505 HG21 THR 63 HG21 THR 63 -2.757 -24.026 6.688 506 HG22 THR 63 HG22 THR 63 -4.005 -24.560 5.561 507 HG23 THR 63 HG23 THR 63 -4.455 -23.695 7.031 508 H SER 64 HN SER 64 -5.118 -19.559 6.650 509 HA SER 64 HA SER 64 -4.602 -18.048 4.332 510 HB2 SER 64 HB2 SER 64 -6.739 -17.795 5.307 511 HB3 SER 64 HB1 SER 64 -6.066 -17.442 6.896 512 HG SER 64 HG SER 64 -5.963 -15.429 6.330 513 H GLY 65 HN GLY 65 -3.603 -17.560 7.705 514 HA2 GLY 65 HA2 GLY 65 -1.676 -16.529 8.505 515 HA3 GLY 65 HA1 GLY 65 -1.242 -16.114 6.849 516 H ARG 66 HN ARG 66 -4.107 -15.023 6.597 517 HA ARG 66 HA ARG 66 -3.444 -12.300 7.173 518 HB2 ARG 66 HB2 ARG 66 -6.075 -13.553 6.348 519 HB3 ARG 66 HB1 ARG 66 -5.722 -11.825 6.342 520 HG2 ARG 66 HG2 ARG 66 -3.948 -13.742 4.831 521 HG3 ARG 66 HG1 ARG 66 -5.451 -13.168 4.113 522 HD2 ARG 66 HD2 ARG 66 -4.698 -10.824 4.480 523 HD3 ARG 66 HD1 ARG 66 -3.168 -11.430 5.104 524 HE ARG 66 HE ARG 66 -3.837 -12.404 2.460 525 HH11 ARG 66 HH21 ARG 66 -2.370 -9.932 4.386 526 HH12 ARG 66 HH22 ARG 66 -1.309 -9.388 3.130 527 HH21 ARG 66 HH11 ARG 66 -2.449 -11.701 0.809 528 HH22 ARG 66 HH12 ARG 66 -1.355 -10.392 1.102 529 H ASN 67 HN ASN 67 -4.961 -14.823 8.924 530 HA ASN 67 HA ASN 67 -6.607 -13.283 10.641 531 HB2 ASN 67 HB2 ASN 67 -5.325 -16.002 10.901 532 HB3 ASN 67 HB1 ASN 67 -6.324 -15.308 12.178 533 HD21 ASN 67 HD21 ASN 67 -6.930 -17.684 10.452 534 HD22 ASN 67 HD22 ASN 67 -8.395 -17.315 9.677 535 H GLN 68 HN GLN 68 -3.193 -13.839 10.505 536 HA GLN 68 HA GLN 68 -2.295 -13.547 13.069 537 HB2 GLN 68 HB2 GLN 68 -1.230 -12.286 10.536 538 HB3 GLN 68 HB1 GLN 68 -0.362 -12.257 12.071 539 HG2 GLN 68 HG2 GLN 68 -0.394 -14.718 12.150 540 HG3 GLN 68 HG1 GLN 68 -1.280 -14.761 10.627 541 HE21 GLN 68 HE21 GLN 68 0.254 -15.564 9.149 542 HE22 GLN 68 HE22 GLN 68 1.795 -14.891 8.919 543 H ALA 69 HN ALA 69 -3.800 -11.111 11.055 544 HA ALA 69 HA ALA 69 -3.124 -8.866 12.705 545 HB1 ALA 69 HB1 ALA 69 -5.264 -9.282 10.607 546 HB2 ALA 69 HB2 ALA 69 -3.714 -8.468 10.403 547 HB3 ALA 69 HB3 ALA 69 -4.966 -7.740 11.409 548 H LEU 70 HN LEU 70 -5.824 -11.128 12.541 549 HA LEU 70 HA LEU 70 -7.511 -9.755 14.378 550 HB2 LEU 70 HB2 LEU 70 -7.443 -12.722 13.796 551 HB3 LEU 70 HB1 LEU 70 -8.792 -11.795 14.453 552 HG LEU 70 HG LEU 70 -7.560 -11.376 11.716 553 HD11 LEU 70 HD11 LEU 70 -10.225 -12.581 12.521 554 HD12 LEU 70 HD12 LEU 70 -8.837 -13.495 11.929 555 HD13 LEU 70 HD13 LEU 70 -9.651 -12.342 10.871 556 HD21 LEU 70 HD21 LEU 70 -9.758 -10.004 13.269 557 HD22 LEU 70 HD22 LEU 70 -9.806 -10.034 11.506 558 HD23 LEU 70 HD23 LEU 70 -8.446 -9.281 12.334 559 H THR 71 HN THR 71 -4.985 -12.181 14.746 560 HA THR 71 HA THR 71 -5.425 -12.874 17.423 561 HB THR 71 HB THR 71 -2.731 -12.641 16.069 562 HG1 THR 71 HG1 THR 71 -3.164 -14.774 15.402 563 HG21 THR 71 HG21 THR 71 -2.535 -13.099 18.426 564 HG22 THR 71 HG22 THR 71 -2.267 -14.618 17.571 565 HG23 THR 71 HG23 THR 71 -3.818 -14.307 18.352 566 H GLN 72 HN GLN 72 -3.934 -10.052 15.996 567 HA GLN 72 HA GLN 72 -2.546 -9.091 18.254 568 HB2 GLN 72 HB2 GLN 72 -3.791 -7.672 15.900 569 HB3 GLN 72 HB1 GLN 72 -2.815 -6.850 17.114 570 HG2 GLN 72 HG2 GLN 72 -0.923 -8.342 16.625 571 HG3 GLN 72 HG1 GLN 72 -1.898 -9.200 15.432 572 HE21 GLN 72 HE21 GLN 72 -1.032 -8.587 13.430 573 HE22 GLN 72 HE22 GLN 72 -0.754 -6.981 12.958 574 H LEU 73 HN LEU 73 -5.905 -8.746 17.220 575 HA LEU 73 HA LEU 73 -6.681 -6.792 19.101 576 HB2 LEU 73 HB2 LEU 73 -8.143 -8.896 17.534 577 HB3 LEU 73 HB1 LEU 73 -9.004 -7.931 18.728 578 HG LEU 73 HG LEU 73 -7.277 -6.586 16.648 579 HD11 LEU 73 HD11 LEU 73 -8.798 -8.074 15.410 580 HD12 LEU 73 HD12 LEU 73 -9.258 -6.387 15.199 581 HD13 LEU 73 HD13 LEU 73 -10.173 -7.416 16.297 582 HD21 LEU 73 HD21 LEU 73 -9.690 -5.788 18.313 583 HD22 LEU 73 HD22 LEU 73 -9.082 -4.814 16.979 584 HD23 LEU 73 HD23 LEU 73 -8.062 -5.110 18.381 585 H LYS 74 HN LYS 74 -6.595 -10.322 19.246 586 HA LYS 74 HA LYS 74 -7.925 -10.682 21.678 587 HB2 LYS 74 HB2 LYS 74 -7.274 -12.539 20.201 588 HB3 LYS 74 HB1 LYS 74 -5.577 -12.244 20.576 589 HG2 LYS 74 HG2 LYS 74 -5.996 -12.737 22.953 590 HG3 LYS 74 HG1 LYS 74 -7.706 -12.991 22.605 591 HD2 LYS 74 HD2 LYS 74 -7.135 -14.858 21.113 592 HD3 LYS 74 HD1 LYS 74 -5.420 -14.596 21.433 593 HE2 LYS 74 HE2 LYS 74 -5.782 -15.049 23.823 594 HE3 LYS 74 HE1 LYS 74 -7.501 -15.296 23.525 595 HZ1 LYS 74 HZ1 LYS 74 -7.126 -17.352 22.818 596 HZ2 LYS 74 HZ2 LYS 74 -5.538 -17.197 23.405 597 HZ3 LYS 74 HZ3 LYS 74 -5.882 -16.858 21.776 598 H GLU 75 HN GLU 75 -4.441 -10.211 21.078 599 HA GLU 75 HA GLU 75 -3.718 -10.205 23.830 600 HB2 GLU 75 HB2 GLU 75 -2.307 -9.137 21.376 601 HB3 GLU 75 HB1 GLU 75 -1.584 -9.185 22.984 602 HG2 GLU 75 HG2 GLU 75 -1.865 -11.613 23.075 603 HG3 GLU 75 HG1 GLU 75 -2.672 -11.599 21.508 604 H GLN 76 HN GLN 76 -4.667 -7.696 21.549 605 HA GLN 76 HA GLN 76 -3.909 -5.460 23.094 606 HB2 GLN 76 HB2 GLN 76 -4.572 -5.434 20.662 607 HB3 GLN 76 HB1 GLN 76 -6.247 -5.621 21.180 608 HG2 GLN 76 HG2 GLN 76 -5.829 -3.261 20.843 609 HG3 GLN 76 HG1 GLN 76 -5.976 -3.546 22.577 610 HE21 GLN 76 HE21 GLN 76 -4.558 -1.898 23.341 611 HE22 GLN 76 HE22 GLN 76 -2.906 -1.845 22.956 612 H VAL 77 HN VAL 77 -7.095 -7.035 22.744 613 HA VAL 77 HA VAL 77 -8.427 -5.472 24.670 614 HB VAL 77 HB VAL 77 -8.958 -8.293 23.711 615 HG11 VAL 77 HG11 VAL 77 -10.088 -8.102 25.800 616 HG12 VAL 77 HG12 VAL 77 -11.307 -7.735 24.580 617 HG13 VAL 77 HG13 VAL 77 -10.545 -6.428 25.484 618 HG21 VAL 77 HG21 VAL 77 -10.826 -7.013 22.496 619 HG22 VAL 77 HG22 VAL 77 -9.187 -6.770 21.893 620 HG23 VAL 77 HG23 VAL 77 -9.945 -5.546 22.911 621 H THR 78 HN THR 78 -6.730 -8.577 24.937 622 HA THR 78 HA THR 78 -7.326 -9.126 27.619 623 HB THR 78 HB THR 78 -4.843 -9.805 26.026 624 HG1 THR 78 HG1 THR 78 -7.035 -11.458 26.664 625 HG21 THR 78 HG21 THR 78 -4.809 -11.732 27.744 626 HG22 THR 78 HG22 THR 78 -5.864 -10.707 28.717 627 HG23 THR 78 HG23 THR 78 -4.248 -10.149 28.284 628 H SER 79 HN SER 79 -4.636 -7.293 26.191 629 HA SER 79 HA SER 79 -3.303 -6.742 28.630 630 HB2 SER 79 HB2 SER 79 -2.162 -4.967 27.343 631 HB3 SER 79 HB1 SER 79 -2.192 -6.496 26.469 632 HG SER 79 HG SER 79 -3.041 -4.199 25.609 633 H ALA 80 HN ALA 80 -5.914 -5.133 26.898 634 HA ALA 80 HA ALA 80 -5.927 -2.703 28.312 635 HB1 ALA 80 HB1 ALA 80 -8.342 -4.135 27.197 636 HB2 ALA 80 HB2 ALA 80 -7.215 -3.197 26.216 637 HB3 ALA 80 HB3 ALA 80 -8.160 -2.402 27.474 638 H LEU 81 HN LEU 81 -7.471 -5.801 28.990 639 HA LEU 81 HA LEU 81 -8.975 -4.931 31.232 640 HB2 LEU 81 HB2 LEU 81 -7.924 -7.686 30.558 641 HB3 LEU 81 HB1 LEU 81 -9.176 -7.317 31.746 642 HG LEU 81 HG LEU 81 -9.366 -6.563 28.820 643 HD11 LEU 81 HD11 LEU 81 -11.073 -8.470 28.780 644 HD12 LEU 81 HD12 LEU 81 -10.393 -8.989 30.323 645 HD13 LEU 81 HD13 LEU 81 -9.381 -8.961 28.878 646 HD21 LEU 81 HD21 LEU 81 -10.872 -5.168 29.970 647 HD22 LEU 81 HD22 LEU 81 -11.221 -6.385 31.199 648 HD23 LEU 81 HD23 LEU 81 -11.892 -6.549 29.575 649 H GLY 82 HN GLY 82 -5.662 -5.878 30.802 650 HA2 GLY 82 HA2 GLY 82 -3.899 -5.361 32.269 651 HA3 GLY 82 HA1 GLY 82 -5.065 -5.115 33.564 652 H LEU 83 HN LEU 83 -5.645 -7.951 31.801 653 HA LEU 83 HA LEU 83 -5.074 -9.621 34.038 654 HB2 LEU 83 HB2 LEU 83 -6.045 -10.035 31.245 655 HB3 LEU 83 HB1 LEU 83 -5.369 -11.438 32.067 656 HG LEU 83 HG LEU 83 -6.962 -10.790 34.026 657 HD11 LEU 83 HD11 LEU 83 -8.600 -9.507 31.856 658 HD12 LEU 83 HD12 LEU 83 -7.448 -8.531 32.769 659 HD13 LEU 83 HD13 LEU 83 -8.757 -9.361 33.609 660 HD21 LEU 83 HD21 LEU 83 -8.794 -12.055 33.003 661 HD22 LEU 83 HD22 LEU 83 -7.247 -12.757 32.539 662 HD23 LEU 83 HD23 LEU 83 -8.134 -11.751 31.395 663 H GLU 84 HN GLU 84 -3.404 -8.955 31.010 664 HA GLU 84 HA GLU 84 -1.269 -9.428 30.322 665 HB2 GLU 84 HB2 GLU 84 -0.726 -8.216 32.428 666 HB3 GLU 84 HB1 GLU 84 -0.729 -9.758 33.282 667 HG2 GLU 84 HG2 GLU 84 1.066 -10.589 31.831 668 HG3 GLU 84 HG1 GLU 84 1.057 -9.071 30.935 669 H HIS 85 HN HIS 85 -1.186 -11.291 29.215 670 HA HIS 85 HA HIS 85 -1.729 -13.848 30.408 671 HB2 HIS 85 HB2 HIS 85 -1.126 -14.748 28.203 672 HB3 HIS 85 HB1 HIS 85 -2.242 -13.392 28.047 673 HD2 HIS 85 HD2 HIS 85 -0.782 -10.846 27.443 674 HE1 HIS 85 HE1 HIS 85 2.386 -12.917 25.574 675 HE2 HIS 85 HE2 HIS 85 1.312 -10.639 25.897 676 H HIS 86 HN HIS 86 -0.301 -15.498 30.899 677 HA HIS 86 HA HIS 86 2.205 -14.798 31.958 678 HB2 HIS 86 HB2 HIS 86 0.929 -16.786 32.671 679 HB3 HIS 86 HB1 HIS 86 1.224 -17.530 31.100 680 HD2 HIS 86 HD2 HIS 86 3.685 -18.820 30.886 681 HE1 HIS 86 HE1 HIS 86 5.367 -17.394 34.487 682 HE2 HIS 86 HE2 HIS 86 5.712 -18.969 32.525 683 H HIS 87 HN HIS 87 1.361 -16.433 28.911 684 HA HIS 87 HA HIS 87 3.625 -15.316 27.558 685 HB2 HIS 87 HB2 HIS 87 4.753 -17.108 28.845 686 HB3 HIS 87 HB1 HIS 87 3.680 -18.294 28.101 687 HD2 HIS 87 HD2 HIS 87 5.389 -19.519 26.283 688 HE1 HIS 87 HE1 HIS 87 6.887 -16.013 24.470 689 HE2 HIS 87 HE2 HIS 87 6.881 -18.551 24.370 690 H HIS 88 HN HIS 88 2.144 -18.509 27.128 691 HA HIS 88 HA HIS 88 0.925 -19.398 25.396 692 HB2 HIS 88 HB2 HIS 88 -0.204 -16.594 25.481 693 HB3 HIS 88 HB1 HIS 88 -0.866 -17.878 24.470 694 HD2 HIS 88 HD2 HIS 88 -2.445 -19.746 25.836 695 HE1 HIS 88 HE1 HIS 88 -1.788 -18.235 29.723 696 HE2 HIS 88 HE2 HIS 88 -3.125 -19.904 28.352 697 H HIS 89 HN HIS 89 2.019 -19.947 23.616 698 HA HIS 89 HA HIS 89 2.387 -17.974 21.496 699 HB2 HIS 89 HB2 HIS 89 4.771 -18.424 21.232 700 HB3 HIS 89 HB1 HIS 89 4.460 -17.797 22.851 701 HD2 HIS 89 HD2 HIS 89 6.117 -20.836 21.242 702 HE1 HIS 89 HE1 HIS 89 5.380 -21.915 25.256 703 HE2 HIS 89 HE2 HIS 89 6.596 -22.578 23.128 704 H HIS 90 HN HIS 90 2.767 -18.924 19.447 705 HA HIS 90 HA HIS 90 1.500 -21.443 19.072 706 HB2 HIS 90 HB2 HIS 90 3.086 -19.665 17.213 707 HB3 HIS 90 HB1 HIS 90 2.299 -21.154 16.689 708 HD2 HIS 90 HD2 HIS 90 1.394 -17.480 17.135 709 HE1 HIS 90 HE1 HIS 90 -2.275 -19.570 17.121 710 HE2 HIS 90 HE2 HIS 90 -1.206 -17.270 16.990 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -8.405 6.791 22.860 2 H2 MET 1 HT2 MET 1 -6.780 6.335 22.670 3 H3 MET 1 HT3 MET 1 -7.187 7.643 23.675 4 HA MET 1 HA MET 1 -7.139 6.218 25.361 5 HB2 MET 1 HB2 MET 1 -9.599 5.245 23.882 6 HB3 MET 1 HB1 MET 1 -9.186 4.745 25.523 7 HG2 MET 1 HG2 MET 1 -9.269 7.058 26.293 8 HG3 MET 1 HG1 MET 1 -9.551 7.625 24.649 9 HE1 MET 1 HE1 MET 1 -11.305 4.346 26.437 10 HE2 MET 1 HE2 MET 1 -12.300 5.366 27.473 11 HE3 MET 1 HE3 MET 1 -10.548 5.536 27.505 12 H GLY 2 HN GLY 2 -5.667 4.685 25.702 13 HA2 GLY 2 HA2 GLY 2 -4.421 2.762 25.494 14 HA3 GLY 2 HA1 GLY 2 -5.867 2.028 24.804 15 H GLN 3 HN GLN 3 -4.952 0.912 23.129 16 HA GLN 3 HA GLN 3 -4.138 2.467 20.820 17 HB2 GLN 3 HB2 GLN 3 -2.007 2.225 22.051 18 HB3 GLN 3 HB1 GLN 3 -2.214 0.473 22.043 19 HG2 GLN 3 HG2 GLN 3 -2.149 0.429 19.609 20 HG3 GLN 3 HG1 GLN 3 -2.097 2.190 19.546 21 HE21 GLN 3 HE21 GLN 3 -0.027 3.044 19.354 22 HE22 GLN 3 HE22 GLN 3 1.400 2.256 19.830 23 H ILE 4 HN ILE 4 -6.028 1.513 19.949 24 HA ILE 4 HA ILE 4 -5.646 -1.275 19.071 25 HB ILE 4 HB ILE 4 -8.159 -0.129 20.171 26 HG12 ILE 4 HG12 ILE 4 -6.592 -2.549 21.057 27 HG13 ILE 4 HG11 ILE 4 -6.400 -0.960 21.792 28 HG21 ILE 4 HG21 ILE 4 -8.823 -1.472 18.329 29 HG22 ILE 4 HG22 ILE 4 -8.978 -2.529 19.730 30 HG23 ILE 4 HG23 ILE 4 -7.577 -2.672 18.668 31 HD11 ILE 4 HD11 ILE 4 -9.024 -2.458 21.621 32 HD12 ILE 4 HD12 ILE 4 -8.745 -0.923 22.442 33 HD13 ILE 4 HD13 ILE 4 -7.993 -2.398 23.050 34 H PHE 5 HN PHE 5 -6.765 -1.817 17.110 35 HA PHE 5 HA PHE 5 -6.658 0.270 15.171 36 HB2 PHE 5 HB2 PHE 5 -7.621 -2.596 15.116 37 HB3 PHE 5 HB1 PHE 5 -7.762 -1.546 13.704 38 HD1 PHE 5 HD2 PHE 5 -5.380 -3.138 16.054 39 HD2 PHE 5 HD1 PHE 5 -5.834 -0.883 12.427 40 HE1 PHE 5 HE2 PHE 5 -3.000 -3.549 15.497 41 HE2 PHE 5 HE1 PHE 5 -3.453 -1.297 11.870 42 HZ PHE 5 HZ PHE 5 -2.036 -2.633 13.405 43 H THR 6 HN THR 6 -8.211 1.537 14.339 44 HA THR 6 HA THR 6 -10.708 1.768 15.723 45 HB THR 6 HB THR 6 -10.012 3.088 13.105 46 HG1 THR 6 HG1 THR 6 -9.452 4.263 15.580 47 HG21 THR 6 HG21 THR 6 -12.318 3.317 14.040 48 HG22 THR 6 HG22 THR 6 -11.455 4.854 13.955 49 HG23 THR 6 HG23 THR 6 -11.619 4.018 15.500 50 H VAL 7 HN VAL 7 -12.797 1.435 14.908 51 HA VAL 7 HA VAL 7 -13.185 -0.903 13.412 52 HB VAL 7 HB VAL 7 -14.833 0.070 15.016 53 HG11 VAL 7 HG11 VAL 7 -14.501 2.427 14.028 54 HG12 VAL 7 HG12 VAL 7 -16.150 1.956 14.432 55 HG13 VAL 7 HG13 VAL 7 -15.610 1.918 12.754 56 HG21 VAL 7 HG21 VAL 7 -16.818 -0.490 13.668 57 HG22 VAL 7 HG22 VAL 7 -15.518 -1.651 13.381 58 HG23 VAL 7 HG23 VAL 7 -15.856 -0.391 12.195 59 H GLN 8 HN GLN 8 -13.322 2.501 12.474 60 HA GLN 8 HA GLN 8 -14.338 2.232 9.904 61 HB2 GLN 8 HB2 GLN 8 -13.937 4.398 11.060 62 HB3 GLN 8 HB1 GLN 8 -12.205 4.183 10.799 63 HG2 GLN 8 HG2 GLN 8 -12.565 4.126 8.364 64 HG3 GLN 8 HG1 GLN 8 -14.301 4.306 8.611 65 HE21 GLN 8 HE21 GLN 8 -12.768 6.225 7.112 66 HE22 GLN 8 HE22 GLN 8 -12.767 7.685 7.977 67 H GLU 9 HN GLU 9 -11.004 1.927 11.046 68 HA GLU 9 HA GLU 9 -9.884 1.539 8.444 69 HB2 GLU 9 HB2 GLU 9 -8.795 0.868 11.187 70 HB3 GLU 9 HB1 GLU 9 -7.866 0.826 9.689 71 HG2 GLU 9 HG2 GLU 9 -9.304 3.285 10.720 72 HG3 GLU 9 HG1 GLU 9 -7.588 2.965 10.974 73 H LEU 10 HN LEU 10 -11.105 -0.587 10.958 74 HA LEU 10 HA LEU 10 -10.140 -3.010 9.854 75 HB2 LEU 10 HB2 LEU 10 -12.425 -2.415 11.736 76 HB3 LEU 10 HB1 LEU 10 -11.934 -4.050 11.306 77 HG LEU 10 HG LEU 10 -10.059 -1.980 12.498 78 HD11 LEU 10 HD11 LEU 10 -11.989 -2.778 14.001 79 HD12 LEU 10 HD12 LEU 10 -10.361 -3.016 14.621 80 HD13 LEU 10 HD13 LEU 10 -11.242 -4.368 13.916 81 HD21 LEU 10 HD21 LEU 10 -8.625 -3.511 11.520 82 HD22 LEU 10 HD22 LEU 10 -9.786 -4.834 11.591 83 HD23 LEU 10 HD23 LEU 10 -8.904 -4.355 13.035 84 H LYS 11 HN LYS 11 -12.938 -1.060 9.213 85 HA LYS 11 HA LYS 11 -14.635 -2.882 8.007 86 HB2 LYS 11 HB2 LYS 11 -14.064 0.026 7.468 87 HB3 LYS 11 HB1 LYS 11 -15.244 -0.842 6.492 88 HG2 LYS 11 HG2 LYS 11 -16.482 -1.456 8.526 89 HG3 LYS 11 HG1 LYS 11 -15.298 -0.608 9.515 90 HD2 LYS 11 HD2 LYS 11 -15.845 1.500 8.299 91 HD3 LYS 11 HD1 LYS 11 -17.093 0.631 7.412 92 HE2 LYS 11 HE2 LYS 11 -17.002 0.792 10.435 93 HE3 LYS 11 HE1 LYS 11 -17.945 1.891 9.428 94 HZ1 LYS 11 HZ1 LYS 11 -19.221 0.092 8.595 95 HZ2 LYS 11 HZ2 LYS 11 -19.188 -0.073 10.286 96 HZ3 LYS 11 HZ3 LYS 11 -18.206 -1.061 9.314 97 H GLU 12 HN GLU 12 -11.806 -1.261 6.636 98 HA GLU 12 HA GLU 12 -12.176 -2.175 3.984 99 HB2 GLU 12 HB2 GLU 12 -9.697 -1.300 5.476 100 HB3 GLU 12 HB1 GLU 12 -9.729 -1.648 3.747 101 HG2 GLU 12 HG2 GLU 12 -11.450 0.077 3.416 102 HG3 GLU 12 HG1 GLU 12 -11.465 0.409 5.147 103 H ARG 13 HN ARG 13 -9.890 -3.326 6.468 104 HA ARG 13 HA ARG 13 -9.156 -5.642 4.986 105 HB2 ARG 13 HB2 ARG 13 -8.782 -4.887 7.885 106 HB3 ARG 13 HB1 ARG 13 -8.120 -6.358 7.170 107 HG2 ARG 13 HG2 ARG 13 -6.882 -5.014 5.519 108 HG3 ARG 13 HG1 ARG 13 -7.558 -3.536 6.207 109 HD2 ARG 13 HD2 ARG 13 -5.900 -5.526 7.777 110 HD3 ARG 13 HD1 ARG 13 -5.242 -4.073 7.031 111 HE ARG 13 HE ARG 13 -7.348 -3.188 8.577 112 HH11 ARG 13 HH21 ARG 13 -4.458 -5.033 9.053 113 HH12 ARG 13 HH22 ARG 13 -4.229 -4.511 10.688 114 HH21 ARG 13 HH11 ARG 13 -7.054 -2.500 10.722 115 HH22 ARG 13 HH12 ARG 13 -5.699 -3.077 11.633 116 H ALA 14 HN ALA 14 -11.492 -5.021 7.525 117 HA ALA 14 HA ALA 14 -12.160 -7.730 8.040 118 HB1 ALA 14 HB1 ALA 14 -12.646 -5.819 9.589 119 HB2 ALA 14 HB2 ALA 14 -14.036 -6.857 9.281 120 HB3 ALA 14 HB3 ALA 14 -13.906 -5.296 8.470 121 H LYS 15 HN LYS 15 -12.727 -5.758 5.381 122 HA LYS 15 HA LYS 15 -15.325 -6.451 4.606 123 HB2 LYS 15 HB2 LYS 15 -13.937 -4.706 3.509 124 HB3 LYS 15 HB1 LYS 15 -12.924 -5.972 2.823 125 HG2 LYS 15 HG2 LYS 15 -15.832 -6.374 2.327 126 HG3 LYS 15 HG1 LYS 15 -15.173 -4.920 1.584 127 HD2 LYS 15 HD2 LYS 15 -13.400 -6.254 0.520 128 HD3 LYS 15 HD1 LYS 15 -14.035 -7.715 1.274 129 HE2 LYS 15 HE2 LYS 15 -16.183 -7.368 0.116 130 HE3 LYS 15 HE1 LYS 15 -15.517 -5.934 -0.662 131 HZ1 LYS 15 HZ1 LYS 15 -13.717 -8.032 -1.039 132 HZ2 LYS 15 HZ2 LYS 15 -14.645 -7.227 -2.214 133 HZ3 LYS 15 HZ3 LYS 15 -15.258 -8.614 -1.445 134 H VAL 16 HN VAL 16 -12.220 -8.045 3.896 135 HA VAL 16 HA VAL 16 -11.741 -10.124 3.031 136 HB VAL 16 HB VAL 16 -14.237 -10.860 4.577 137 HG11 VAL 16 HG11 VAL 16 -11.812 -12.451 3.691 138 HG12 VAL 16 HG12 VAL 16 -13.468 -12.659 3.120 139 HG13 VAL 16 HG13 VAL 16 -13.055 -13.051 4.789 140 HG21 VAL 16 HG21 VAL 16 -12.719 -9.637 6.022 141 HG22 VAL 16 HG22 VAL 16 -11.340 -10.557 5.422 142 HG23 VAL 16 HG23 VAL 16 -12.571 -11.353 6.402 143 H PHE 17 HN PHE 17 -11.947 -10.687 0.968 144 HA PHE 17 HA PHE 17 -14.289 -10.152 -0.566 145 HB2 PHE 17 HB2 PHE 17 -11.803 -11.781 -1.134 146 HB3 PHE 17 HB1 PHE 17 -13.075 -11.510 -2.325 147 HD1 PHE 17 HD2 PHE 17 -13.567 -9.224 -3.147 148 HD2 PHE 17 HD1 PHE 17 -10.297 -10.012 -0.474 149 HE1 PHE 17 HE2 PHE 17 -12.595 -7.007 -3.683 150 HE2 PHE 17 HE1 PHE 17 -9.324 -7.794 -1.011 151 HZ PHE 17 HZ PHE 17 -10.473 -6.292 -2.616 152 H ALA 18 HN ALA 18 -15.964 -11.437 -1.132 153 HA ALA 18 HA ALA 18 -17.474 -13.165 -0.971 154 HB1 ALA 18 HB1 ALA 18 -14.921 -14.781 -1.157 155 HB2 ALA 18 HB2 ALA 18 -15.907 -14.229 -2.513 156 HB3 ALA 18 HB3 ALA 18 -16.548 -15.423 -1.384 157 H LYS 19 HN LYS 19 -16.754 -12.027 1.469 158 HA LYS 19 HA LYS 19 -15.876 -13.560 3.475 159 HB2 LYS 19 HB2 LYS 19 -17.899 -12.376 4.823 160 HB3 LYS 19 HB1 LYS 19 -16.473 -11.488 4.294 161 HG2 LYS 19 HG2 LYS 19 -18.584 -10.361 3.664 162 HG3 LYS 19 HG1 LYS 19 -17.627 -10.794 2.258 163 HD2 LYS 19 HD2 LYS 19 -19.048 -12.579 1.670 164 HD3 LYS 19 HD1 LYS 19 -19.729 -12.696 3.290 165 HE2 LYS 19 HE2 LYS 19 -20.120 -10.277 1.522 166 HE3 LYS 19 HE1 LYS 19 -21.240 -11.640 1.536 167 HZ1 LYS 19 HZ1 LYS 19 -21.472 -11.320 3.952 168 HZ2 LYS 19 HZ2 LYS 19 -21.995 -9.970 3.062 169 HZ3 LYS 19 HZ3 LYS 19 -20.492 -9.939 3.852 170 HA PRO 20 HA PRO 20 -18.457 -17.083 4.134 171 HB2 PRO 20 HB2 PRO 20 -18.836 -16.238 6.983 172 HB3 PRO 20 HB1 PRO 20 -18.178 -17.754 6.337 173 HG2 PRO 20 HG2 PRO 20 -16.598 -15.901 7.435 174 HG3 PRO 20 HG1 PRO 20 -16.072 -16.865 6.042 175 HD2 PRO 20 HD2 PRO 20 -16.972 -14.018 6.131 176 HD3 PRO 20 HD1 PRO 20 -15.735 -14.799 5.130 177 H ILE 21 HN ILE 21 -20.637 -17.714 4.305 178 HA ILE 21 HA ILE 21 -22.571 -15.695 3.815 179 HB ILE 21 HB ILE 21 -24.202 -17.577 3.944 180 HG12 ILE 21 HG12 ILE 21 -21.759 -19.271 4.544 181 HG13 ILE 21 HG11 ILE 21 -22.929 -18.790 5.777 182 HG21 ILE 21 HG21 ILE 21 -23.119 -18.922 2.095 183 HG22 ILE 21 HG22 ILE 21 -21.644 -17.997 2.376 184 HG23 ILE 21 HG23 ILE 21 -23.108 -17.179 1.831 185 HD11 ILE 21 HD11 ILE 21 -23.388 -21.054 4.826 186 HD12 ILE 21 HD12 ILE 21 -23.643 -20.302 3.252 187 HD13 ILE 21 HD13 ILE 21 -24.720 -19.923 4.596 188 H GLY 22 HN GLY 22 -24.393 -15.108 5.077 189 HA2 GLY 22 HA2 GLY 22 -25.637 -14.841 7.038 190 HA3 GLY 22 HA1 GLY 22 -24.495 -15.879 7.885 191 H ALA 23 HN ALA 23 -23.138 -13.369 5.975 192 HA ALA 23 HA ALA 23 -21.733 -11.646 6.623 193 HB1 ALA 23 HB1 ALA 23 -24.249 -10.990 8.175 194 HB2 ALA 23 HB2 ALA 23 -23.909 -10.534 6.506 195 HB3 ALA 23 HB3 ALA 23 -22.948 -9.855 7.819 196 H SER 24 HN SER 24 -20.325 -13.139 7.821 197 HA SER 24 HA SER 24 -20.635 -13.302 10.701 198 HB2 SER 24 HB2 SER 24 -18.560 -14.275 8.747 199 HB3 SER 24 HB1 SER 24 -18.294 -14.362 10.487 200 HG SER 24 HG SER 24 -19.358 -16.173 10.239 201 H TYR 25 HN TYR 25 -19.281 -11.112 8.466 202 HA TYR 25 HA TYR 25 -17.150 -10.107 10.098 203 HB2 TYR 25 HB2 TYR 25 -16.996 -8.327 8.464 204 HB3 TYR 25 HB1 TYR 25 -17.259 -9.849 7.611 205 HD1 TYR 25 HD1 TYR 25 -19.483 -10.394 6.662 206 HD2 TYR 25 HD2 TYR 25 -18.679 -6.597 8.500 207 HE1 TYR 25 HE1 TYR 25 -21.534 -9.460 5.629 208 HE2 TYR 25 HE2 TYR 25 -20.729 -5.661 7.467 209 HH TYR 25 HH TYR 25 -23.090 -6.949 6.579 210 H GLN 26 HN GLN 26 -20.553 -9.696 10.066 211 HA GLN 26 HA GLN 26 -20.796 -7.071 11.057 212 HB2 GLN 26 HB2 GLN 26 -22.703 -8.377 10.197 213 HB3 GLN 26 HB1 GLN 26 -22.576 -9.465 11.580 214 HG2 GLN 26 HG2 GLN 26 -23.089 -7.678 13.121 215 HG3 GLN 26 HG1 GLN 26 -23.004 -6.478 11.833 216 HE21 GLN 26 HE21 GLN 26 -25.374 -6.789 13.412 217 HE22 GLN 26 HE22 GLN 26 -26.602 -7.402 12.412 218 H GLY 27 HN GLY 27 -20.453 -10.184 12.732 219 HA2 GLY 27 HA2 GLY 27 -20.655 -9.145 15.366 220 HA3 GLY 27 HA1 GLY 27 -19.953 -10.697 14.922 221 H ILE 28 HN ILE 28 -18.005 -9.470 13.098 222 HA ILE 28 HA ILE 28 -15.895 -9.033 14.973 223 HB ILE 28 HB ILE 28 -15.853 -8.463 12.003 224 HG12 ILE 28 HG12 ILE 28 -16.705 -10.718 12.328 225 HG13 ILE 28 HG11 ILE 28 -15.018 -10.829 11.826 226 HG21 ILE 28 HG21 ILE 28 -13.726 -9.187 14.040 227 HG22 ILE 28 HG22 ILE 28 -13.899 -7.639 13.210 228 HG23 ILE 28 HG23 ILE 28 -13.443 -9.082 12.302 229 HD11 ILE 28 HD11 ILE 28 -14.516 -10.862 14.406 230 HD12 ILE 28 HD12 ILE 28 -15.109 -12.325 13.634 231 HD13 ILE 28 HD13 ILE 28 -16.215 -11.304 14.546 232 H LEU 29 HN LEU 29 -18.115 -6.973 13.345 233 HA LEU 29 HA LEU 29 -16.501 -4.581 13.860 234 HB2 LEU 29 HB2 LEU 29 -17.663 -4.713 11.734 235 HB3 LEU 29 HB1 LEU 29 -19.203 -4.966 12.549 236 HG LEU 29 HG LEU 29 -17.756 -2.556 13.512 237 HD11 LEU 29 HD11 LEU 29 -18.236 -1.197 11.522 238 HD12 LEU 29 HD12 LEU 29 -18.781 -2.638 10.663 239 HD13 LEU 29 HD13 LEU 29 -17.091 -2.482 11.140 240 HD21 LEU 29 HD21 LEU 29 -20.115 -3.154 14.070 241 HD22 LEU 29 HD22 LEU 29 -20.537 -2.957 12.372 242 HD23 LEU 29 HD23 LEU 29 -19.985 -1.569 13.310 243 H ASP 30 HN ASP 30 -19.583 -6.040 14.842 244 HA ASP 30 HA ASP 30 -20.490 -3.983 16.506 245 HB2 ASP 30 HB2 ASP 30 -21.885 -5.895 15.833 246 HB3 ASP 30 HB1 ASP 30 -20.897 -6.968 16.822 247 H GLN 31 HN GLN 31 -18.462 -6.801 17.270 248 HA GLN 31 HA GLN 31 -18.247 -6.250 20.029 249 HB2 GLN 31 HB2 GLN 31 -17.224 -8.189 18.172 250 HB3 GLN 31 HB1 GLN 31 -15.855 -7.580 19.093 251 HG2 GLN 31 HG2 GLN 31 -16.772 -9.458 20.295 252 HG3 GLN 31 HG1 GLN 31 -17.158 -7.992 21.196 253 HE21 GLN 31 HE21 GLN 31 -18.535 -10.666 19.409 254 HE22 GLN 31 HE22 GLN 31 -20.160 -10.242 19.651 255 H LEU 32 HN LEU 32 -16.262 -5.289 17.277 256 HA LEU 32 HA LEU 32 -14.191 -4.084 18.746 257 HB2 LEU 32 HB2 LEU 32 -15.222 -3.897 15.943 258 HB3 LEU 32 HB1 LEU 32 -14.127 -2.621 16.464 259 HG LEU 32 HG LEU 32 -13.024 -4.648 15.373 260 HD11 LEU 32 HD11 LEU 32 -11.118 -4.364 16.671 261 HD12 LEU 32 HD12 LEU 32 -11.989 -4.442 18.192 262 HD13 LEU 32 HD13 LEU 32 -12.033 -2.972 17.229 263 HD21 LEU 32 HD21 LEU 32 -13.038 -6.744 16.387 264 HD22 LEU 32 HD22 LEU 32 -14.639 -6.205 16.839 265 HD23 LEU 32 HD23 LEU 32 -13.328 -6.096 17.994 266 H ASP 33 HN ASP 33 -17.217 -2.788 17.530 267 HA ASP 33 HA ASP 33 -16.731 -0.112 18.344 268 HB2 ASP 33 HB2 ASP 33 -19.201 -1.708 17.672 269 HB3 ASP 33 HB1 ASP 33 -19.348 -0.070 18.308 270 H LEU 34 HN LEU 34 -18.027 -2.936 19.973 271 HA LEU 34 HA LEU 34 -19.082 -1.608 22.212 272 HB2 LEU 34 HB2 LEU 34 -19.695 -3.910 21.727 273 HB3 LEU 34 HB1 LEU 34 -18.024 -4.435 21.933 274 HG LEU 34 HG LEU 34 -18.090 -3.780 24.306 275 HD11 LEU 34 HD11 LEU 34 -20.777 -2.687 23.489 276 HD12 LEU 34 HD12 LEU 34 -19.519 -1.936 24.471 277 HD13 LEU 34 HD13 LEU 34 -20.521 -3.211 25.153 278 HD21 LEU 34 HD21 LEU 34 -20.547 -5.400 23.610 279 HD22 LEU 34 HD22 LEU 34 -19.607 -5.475 25.101 280 HD23 LEU 34 HD23 LEU 34 -18.903 -6.041 23.584 281 H VAL 35 HN VAL 35 -15.893 -2.984 21.572 282 HA VAL 35 HA VAL 35 -14.801 -2.748 24.110 283 HB VAL 35 HB VAL 35 -13.847 -3.680 21.787 284 HG11 VAL 35 HG11 VAL 35 -13.631 -1.209 21.008 285 HG12 VAL 35 HG12 VAL 35 -12.272 -2.274 20.710 286 HG13 VAL 35 HG13 VAL 35 -12.234 -1.142 22.060 287 HG21 VAL 35 HG21 VAL 35 -12.195 -2.560 24.070 288 HG22 VAL 35 HG22 VAL 35 -11.561 -3.669 22.853 289 HG23 VAL 35 HG23 VAL 35 -12.849 -4.193 23.941 290 H HIS 36 HN HIS 36 -15.489 -0.310 21.736 291 HA HIS 36 HA HIS 36 -13.811 1.713 22.921 292 HB2 HIS 36 HB2 HIS 36 -15.999 1.831 20.834 293 HB3 HIS 36 HB1 HIS 36 -15.065 3.234 21.352 294 HD2 HIS 36 HD2 HIS 36 -12.222 3.037 20.717 295 HE1 HIS 36 HE1 HIS 36 -12.760 -0.038 17.875 296 HE2 HIS 36 HE2 HIS 36 -11.117 1.671 18.786 297 H GLN 37 HN GLN 37 -17.246 0.859 22.960 298 HA GLN 37 HA GLN 37 -17.915 3.095 24.699 299 HB2 GLN 37 HB2 GLN 37 -19.535 0.756 23.665 300 HB3 GLN 37 HB1 GLN 37 -20.187 2.045 24.678 301 HG2 GLN 37 HG2 GLN 37 -19.581 3.716 22.999 302 HG3 GLN 37 HG1 GLN 37 -18.839 2.471 21.997 303 HE21 GLN 37 HE21 GLN 37 -21.240 4.254 21.435 304 HE22 GLN 37 HE22 GLN 37 -22.492 3.175 21.049 305 H ALA 38 HN ALA 38 -16.951 -0.205 25.001 306 HA ALA 38 HA ALA 38 -18.046 -0.625 27.629 307 HB1 ALA 38 HB1 ALA 38 -17.706 -2.578 26.306 308 HB2 ALA 38 HB2 ALA 38 -16.494 -2.636 27.586 309 HB3 ALA 38 HB3 ALA 38 -16.037 -2.134 25.962 310 H LYS 39 HN LYS 39 -16.714 -1.021 29.536 311 HA LYS 39 HA LYS 39 -14.032 0.000 29.607 312 HB2 LYS 39 HB2 LYS 39 -15.469 2.076 29.627 313 HB3 LYS 39 HB1 LYS 39 -16.137 1.517 31.153 314 HG2 LYS 39 HG2 LYS 39 -14.380 2.934 31.840 315 HG3 LYS 39 HG1 LYS 39 -13.658 1.334 31.943 316 HD2 LYS 39 HD2 LYS 39 -12.490 1.621 29.869 317 HD3 LYS 39 HD1 LYS 39 -13.414 3.067 29.470 318 HE2 LYS 39 HE2 LYS 39 -11.584 2.834 31.864 319 HE3 LYS 39 HE1 LYS 39 -11.109 3.535 30.317 320 HZ1 LYS 39 HZ1 LYS 39 -12.992 4.551 32.319 321 HZ2 LYS 39 HZ2 LYS 39 -13.279 4.914 30.684 322 HZ3 LYS 39 HZ3 LYS 39 -11.821 5.383 31.419 323 H GLY 40 HN GLY 40 -12.916 -0.753 31.354 324 HA2 GLY 40 HA2 GLY 40 -12.501 -1.839 33.350 325 HA3 GLY 40 HA1 GLY 40 -14.192 -1.596 33.780 326 H ARG 41 HN ARG 41 -15.147 -3.477 34.184 327 HA ARG 41 HA ARG 41 -14.176 -5.989 33.343 328 HB2 ARG 41 HB2 ARG 41 -16.847 -5.129 34.461 329 HB3 ARG 41 HB1 ARG 41 -16.444 -6.810 34.128 330 HG2 ARG 41 HG2 ARG 41 -15.944 -6.371 36.461 331 HG3 ARG 41 HG1 ARG 41 -14.418 -6.559 35.598 332 HD2 ARG 41 HD2 ARG 41 -13.942 -4.267 35.675 333 HD3 ARG 41 HD1 ARG 41 -15.628 -3.812 35.916 334 HE ARG 41 HE ARG 41 -15.042 -5.215 38.166 335 HH11 ARG 41 HH21 ARG 41 -13.511 -2.629 36.450 336 HH12 ARG 41 HH22 ARG 41 -12.820 -1.913 37.869 337 HH21 ARG 41 HH11 ARG 41 -14.141 -4.281 40.030 338 HH22 ARG 41 HH12 ARG 41 -13.176 -2.849 39.895 339 H ASP 42 HN ASP 42 -16.634 -3.835 32.038 340 HA ASP 42 HA ASP 42 -17.783 -5.621 30.188 341 HB2 ASP 42 HB2 ASP 42 -18.658 -3.340 30.885 342 HB3 ASP 42 HB1 ASP 42 -17.468 -2.644 29.786 343 H GLN 43 HN GLN 43 -14.972 -3.493 29.980 344 HA GLN 43 HA GLN 43 -14.495 -3.835 27.204 345 HB2 GLN 43 HB2 GLN 43 -13.503 -2.026 28.612 346 HB3 GLN 43 HB1 GLN 43 -12.468 -3.233 29.372 347 HG2 GLN 43 HG2 GLN 43 -11.524 -3.806 27.158 348 HG3 GLN 43 HG1 GLN 43 -12.552 -2.583 26.411 349 HE21 GLN 43 HE21 GLN 43 -9.669 -2.476 26.280 350 HE22 GLN 43 HE22 GLN 43 -9.162 -1.111 27.152 351 H ILE 44 HN ILE 44 -13.380 -5.570 30.076 352 HA ILE 44 HA ILE 44 -11.511 -7.245 28.780 353 HB ILE 44 HB ILE 44 -13.104 -7.640 31.320 354 HG12 ILE 44 HG12 ILE 44 -10.182 -6.927 30.907 355 HG13 ILE 44 HG11 ILE 44 -11.448 -5.718 31.160 356 HG21 ILE 44 HG21 ILE 44 -12.442 -9.827 30.636 357 HG22 ILE 44 HG22 ILE 44 -11.207 -9.318 31.785 358 HG23 ILE 44 HG23 ILE 44 -10.880 -9.255 30.054 359 HD11 ILE 44 HD11 ILE 44 -12.053 -6.970 33.291 360 HD12 ILE 44 HD12 ILE 44 -10.488 -6.162 33.315 361 HD13 ILE 44 HD13 ILE 44 -10.575 -7.904 33.064 362 H ALA 45 HN ALA 45 -14.960 -7.634 29.500 363 HA ALA 45 HA ALA 45 -15.304 -10.282 28.732 364 HB1 ALA 45 HB1 ALA 45 -17.655 -9.628 28.224 365 HB2 ALA 45 HB2 ALA 45 -17.188 -7.936 28.382 366 HB3 ALA 45 HB3 ALA 45 -17.097 -9.009 29.778 367 H ALA 46 HN ALA 46 -15.229 -7.354 26.734 368 HA ALA 46 HA ALA 46 -15.966 -8.550 24.292 369 HB1 ALA 46 HB1 ALA 46 -14.296 -6.104 24.897 370 HB2 ALA 46 HB2 ALA 46 -16.013 -6.154 24.501 371 HB3 ALA 46 HB3 ALA 46 -14.813 -6.563 23.274 372 H SER 47 HN SER 47 -12.848 -8.127 25.893 373 HA SER 47 HA SER 47 -11.217 -8.967 23.773 374 HB2 SER 47 HB2 SER 47 -10.330 -7.848 25.773 375 HB3 SER 47 HB1 SER 47 -10.750 -9.252 26.747 376 HG SER 47 HG SER 47 -8.752 -9.764 26.210 377 H PHE 48 HN PHE 48 -12.768 -10.769 26.390 378 HA PHE 48 HA PHE 48 -11.632 -13.285 25.848 379 HB2 PHE 48 HB2 PHE 48 -12.840 -12.812 27.925 380 HB3 PHE 48 HB1 PHE 48 -14.344 -12.617 27.024 381 HD1 PHE 48 HD2 PHE 48 -11.624 -15.066 27.783 382 HD2 PHE 48 HD1 PHE 48 -15.676 -14.496 26.474 383 HE1 PHE 48 HE2 PHE 48 -12.005 -17.514 27.892 384 HE2 PHE 48 HE1 PHE 48 -16.057 -16.943 26.584 385 HZ PHE 48 HZ PHE 48 -14.221 -18.452 27.293 386 H GLU 49 HN GLU 49 -14.652 -11.796 24.694 387 HA GLU 49 HA GLU 49 -15.482 -14.026 23.137 388 HB2 GLU 49 HB2 GLU 49 -16.940 -12.109 23.909 389 HB3 GLU 49 HB1 GLU 49 -16.185 -11.127 22.653 390 HG2 GLU 49 HG2 GLU 49 -16.915 -12.764 20.949 391 HG3 GLU 49 HG1 GLU 49 -17.686 -13.720 22.204 392 H LEU 50 HN LEU 50 -13.751 -11.027 22.320 393 HA LEU 50 HA LEU 50 -13.509 -11.549 19.546 394 HB2 LEU 50 HB2 LEU 50 -12.073 -9.795 21.531 395 HB3 LEU 50 HB1 LEU 50 -11.387 -9.974 19.917 396 HG LEU 50 HG LEU 50 -14.331 -9.348 20.175 397 HD11 LEU 50 HD11 LEU 50 -13.760 -6.927 20.138 398 HD12 LEU 50 HD12 LEU 50 -12.069 -7.346 20.419 399 HD13 LEU 50 HD13 LEU 50 -13.285 -7.710 21.644 400 HD21 LEU 50 HD21 LEU 50 -12.301 -8.286 18.196 401 HD22 LEU 50 HD22 LEU 50 -14.038 -8.478 17.988 402 HD23 LEU 50 HD23 LEU 50 -12.996 -9.893 18.001 403 H ASN 51 HN ASN 51 -11.447 -12.363 22.309 404 HA ASN 51 HA ASN 51 -9.234 -13.342 20.911 405 HB2 ASN 51 HB2 ASN 51 -9.201 -13.008 23.329 406 HB3 ASN 51 HB1 ASN 51 -10.404 -14.279 23.542 407 HD21 ASN 51 HD21 ASN 51 -8.781 -15.470 24.873 408 HD22 ASN 51 HD22 ASN 51 -7.529 -16.321 24.106 409 H LYS 52 HN LYS 52 -12.216 -14.987 21.921 410 HA LYS 52 HA LYS 52 -11.505 -17.557 20.971 411 HB2 LYS 52 HB2 LYS 52 -14.221 -16.268 21.372 412 HB3 LYS 52 HB1 LYS 52 -13.974 -17.980 21.037 413 HG2 LYS 52 HG2 LYS 52 -12.652 -16.546 23.350 414 HG3 LYS 52 HG1 LYS 52 -14.209 -17.352 23.502 415 HD2 LYS 52 HD2 LYS 52 -13.128 -19.336 23.838 416 HD3 LYS 52 HD1 LYS 52 -12.467 -19.251 22.215 417 HE2 LYS 52 HE2 LYS 52 -10.631 -17.780 23.118 418 HE3 LYS 52 HE1 LYS 52 -11.241 -18.124 24.737 419 HZ1 LYS 52 HZ1 LYS 52 -10.840 -20.422 24.439 420 HZ2 LYS 52 HZ2 LYS 52 -9.424 -19.612 23.965 421 HZ3 LYS 52 HZ3 LYS 52 -10.489 -20.226 22.792 422 H LYS 53 HN LYS 53 -13.266 -14.864 19.494 423 HA LYS 53 HA LYS 53 -13.895 -16.178 17.065 424 HB2 LYS 53 HB2 LYS 53 -13.552 -13.256 17.737 425 HB3 LYS 53 HB1 LYS 53 -14.132 -13.829 16.173 426 HG2 LYS 53 HG2 LYS 53 -15.936 -15.104 17.428 427 HG3 LYS 53 HG1 LYS 53 -15.428 -14.247 18.877 428 HD2 LYS 53 HD2 LYS 53 -16.238 -12.840 16.331 429 HD3 LYS 53 HD1 LYS 53 -17.359 -13.179 17.640 430 HE2 LYS 53 HE2 LYS 53 -15.719 -11.959 19.158 431 HE3 LYS 53 HE1 LYS 53 -14.926 -11.404 17.689 432 HZ1 LYS 53 HZ1 LYS 53 -17.328 -10.494 18.895 433 HZ2 LYS 53 HZ2 LYS 53 -17.593 -10.958 17.282 434 HZ3 LYS 53 HZ3 LYS 53 -16.413 -9.792 17.653 435 H ILE 54 HN ILE 54 -11.209 -14.012 17.948 436 HA ILE 54 HA ILE 54 -9.933 -14.130 15.410 437 HB ILE 54 HB ILE 54 -8.879 -13.442 18.164 438 HG12 ILE 54 HG12 ILE 54 -9.519 -11.663 15.793 439 HG13 ILE 54 HG11 ILE 54 -10.664 -11.984 17.095 440 HG21 ILE 54 HG21 ILE 54 -6.960 -14.078 16.906 441 HG22 ILE 54 HG22 ILE 54 -7.040 -12.319 16.753 442 HG23 ILE 54 HG23 ILE 54 -7.590 -13.347 15.429 443 HD11 ILE 54 HD11 ILE 54 -9.441 -9.887 17.523 444 HD12 ILE 54 HD12 ILE 54 -7.909 -10.756 17.426 445 HD13 ILE 54 HD13 ILE 54 -9.036 -11.102 18.738 446 H ASN 55 HN ASN 55 -9.442 -15.899 18.453 447 HA ASN 55 HA ASN 55 -7.246 -17.442 17.556 448 HB2 ASN 55 HB2 ASN 55 -7.808 -17.175 19.939 449 HB3 ASN 55 HB1 ASN 55 -9.295 -18.089 19.690 450 HD21 ASN 55 HD21 ASN 55 -7.164 -18.934 21.487 451 HD22 ASN 55 HD22 ASN 55 -6.535 -20.387 20.874 452 H ASP 56 HN ASP 56 -10.739 -18.055 17.621 453 HA ASP 56 HA ASP 56 -10.625 -20.698 16.615 454 HB2 ASP 56 HB2 ASP 56 -12.621 -19.869 17.723 455 HB3 ASP 56 HB1 ASP 56 -12.838 -18.639 16.481 456 H TYR 57 HN TYR 57 -10.876 -17.544 15.054 457 HA TYR 57 HA TYR 57 -11.442 -18.354 12.447 458 HB2 TYR 57 HB2 TYR 57 -11.424 -15.992 13.231 459 HB3 TYR 57 HB1 TYR 57 -9.662 -16.053 13.289 460 HD1 TYR 57 HD2 TYR 57 -12.550 -16.627 10.975 461 HD2 TYR 57 HD1 TYR 57 -8.404 -15.568 11.355 462 HE1 TYR 57 HE2 TYR 57 -12.460 -16.112 8.551 463 HE2 TYR 57 HE1 TYR 57 -8.314 -15.053 8.933 464 HH TYR 57 HH TYR 57 -10.826 -15.939 6.771 465 H ILE 58 HN ILE 58 -8.343 -18.125 14.145 466 HA ILE 58 HA ILE 58 -6.674 -18.671 11.934 467 HB ILE 58 HB ILE 58 -6.297 -19.179 14.897 468 HG12 ILE 58 HG12 ILE 58 -5.080 -17.064 13.097 469 HG13 ILE 58 HG11 ILE 58 -6.567 -16.801 14.021 470 HG21 ILE 58 HG21 ILE 58 -3.827 -19.224 14.191 471 HG22 ILE 58 HG22 ILE 58 -4.414 -19.476 12.546 472 HG23 ILE 58 HG23 ILE 58 -4.776 -20.659 13.802 473 HD11 ILE 58 HD11 ILE 58 -4.015 -17.758 15.332 474 HD12 ILE 58 HD12 ILE 58 -5.442 -17.063 16.100 475 HD13 ILE 58 HD13 ILE 58 -4.377 -16.044 15.131 476 H ALA 59 HN ALA 59 -8.181 -20.806 14.341 477 HA ALA 59 HA ALA 59 -7.035 -23.214 13.402 478 HB1 ALA 59 HB1 ALA 59 -8.714 -24.333 14.733 479 HB2 ALA 59 HB2 ALA 59 -9.702 -22.873 14.789 480 HB3 ALA 59 HB3 ALA 59 -8.149 -22.919 15.623 481 H GLU 60 HN GLU 60 -9.947 -21.440 12.517 482 HA GLU 60 HA GLU 60 -11.010 -23.490 10.827 483 HB2 GLU 60 HB2 GLU 60 -11.576 -20.523 11.017 484 HB3 GLU 60 HB1 GLU 60 -12.482 -21.636 9.991 485 HG2 GLU 60 HG2 GLU 60 -12.155 -21.978 12.983 486 HG3 GLU 60 HG1 GLU 60 -13.558 -21.228 12.224 487 H HIS 61 HN HIS 61 -9.078 -20.576 10.283 488 HA HIS 61 HA HIS 61 -8.368 -21.620 7.602 489 HB2 HIS 61 HB2 HIS 61 -8.831 -18.693 8.098 490 HB3 HIS 61 HB1 HIS 61 -8.685 -19.548 6.562 491 HD2 HIS 61 HD2 HIS 61 -10.981 -21.395 6.100 492 HE1 HIS 61 HE1 HIS 61 -13.543 -19.121 8.569 493 HE2 HIS 61 HE2 HIS 61 -13.455 -20.953 6.812 494 HA PRO 62 HA PRO 62 -4.709 -20.292 10.194 495 HB2 PRO 62 HB2 PRO 62 -3.369 -22.691 10.114 496 HB3 PRO 62 HB1 PRO 62 -4.568 -22.286 11.357 497 HG2 PRO 62 HG2 PRO 62 -4.870 -23.971 8.915 498 HG3 PRO 62 HG1 PRO 62 -5.549 -24.204 10.535 499 HD2 PRO 62 HD2 PRO 62 -6.979 -23.197 8.418 500 HD3 PRO 62 HD1 PRO 62 -7.358 -22.821 10.111 501 H THR 63 HN THR 63 -5.126 -21.960 7.158 502 HA THR 63 HA THR 63 -2.450 -21.498 6.198 503 HB THR 63 HB THR 63 -3.338 -22.292 4.043 504 HG1 THR 63 HG1 THR 63 -5.664 -23.041 4.344 505 HG21 THR 63 HG21 THR 63 -2.693 -23.924 5.789 506 HG22 THR 63 HG22 THR 63 -4.014 -24.530 4.792 507 HG23 THR 63 HG23 THR 63 -4.346 -23.902 6.406 508 H SER 64 HN SER 64 -5.429 -19.734 6.275 509 HA SER 64 HA SER 64 -4.935 -17.968 4.102 510 HB2 SER 64 HB2 SER 64 -7.174 -18.216 5.027 511 HB3 SER 64 HB1 SER 64 -6.624 -17.616 6.590 512 HG SER 64 HG SER 64 -6.774 -15.659 5.847 513 H GLY 65 HN GLY 65 -3.947 -15.992 4.018 514 HA2 GLY 65 HA2 GLY 65 -2.020 -15.413 6.130 515 HA3 GLY 65 HA1 GLY 65 -2.130 -14.620 4.562 516 H ARG 66 HN ARG 66 -5.151 -14.380 5.176 517 HA ARG 66 HA ARG 66 -5.086 -11.695 6.093 518 HB2 ARG 66 HB2 ARG 66 -7.447 -13.587 6.001 519 HB3 ARG 66 HB1 ARG 66 -7.515 -11.831 6.051 520 HG2 ARG 66 HG2 ARG 66 -6.152 -13.393 3.841 521 HG3 ARG 66 HG1 ARG 66 -7.813 -12.811 3.738 522 HD2 ARG 66 HD2 ARG 66 -5.277 -11.174 3.925 523 HD3 ARG 66 HD1 ARG 66 -6.492 -11.151 2.663 524 HE ARG 66 HE ARG 66 -6.642 -9.787 5.222 525 HH11 ARG 66 HH21 ARG 66 -8.326 -11.066 2.486 526 HH12 ARG 66 HH22 ARG 66 -9.704 -10.034 2.678 527 HH21 ARG 66 HH11 ARG 66 -8.446 -8.437 5.487 528 HH22 ARG 66 HH12 ARG 66 -9.773 -8.545 4.378 529 H ASN 67 HN ASN 67 -5.272 -14.728 7.720 530 HA ASN 67 HA ASN 67 -6.504 -13.896 10.125 531 HB2 ASN 67 HB2 ASN 67 -5.511 -15.908 11.103 532 HB3 ASN 67 HB1 ASN 67 -6.180 -16.266 9.513 533 HD21 ASN 67 HD21 ASN 67 -4.521 -18.146 9.734 534 HD22 ASN 67 HD22 ASN 67 -2.941 -17.835 9.199 535 H GLN 68 HN GLN 68 -3.438 -13.206 8.791 536 HA GLN 68 HA GLN 68 -1.890 -12.898 11.134 537 HB2 GLN 68 HB2 GLN 68 -1.718 -11.550 8.431 538 HB3 GLN 68 HB1 GLN 68 -0.508 -11.359 9.699 539 HG2 GLN 68 HG2 GLN 68 -0.124 -13.786 9.721 540 HG3 GLN 68 HG1 GLN 68 -1.355 -14.001 8.478 541 HE21 GLN 68 HE21 GLN 68 -0.811 -13.419 6.283 542 HE22 GLN 68 HE22 GLN 68 0.771 -13.006 5.827 543 H ALA 69 HN ALA 69 -4.047 -10.694 9.399 544 HA ALA 69 HA ALA 69 -3.437 -8.413 11.017 545 HB1 ALA 69 HB1 ALA 69 -4.425 -8.371 8.684 546 HB2 ALA 69 HB2 ALA 69 -5.223 -7.328 9.861 547 HB3 ALA 69 HB3 ALA 69 -5.954 -8.869 9.410 548 H LEU 70 HN LEU 70 -5.935 -10.908 11.078 549 HA LEU 70 HA LEU 70 -7.513 -9.759 13.124 550 HB2 LEU 70 HB2 LEU 70 -7.180 -12.550 12.032 551 HB3 LEU 70 HB1 LEU 70 -8.201 -12.269 13.438 552 HG LEU 70 HG LEU 70 -9.436 -12.201 11.234 553 HD11 LEU 70 HD11 LEU 70 -9.653 -9.426 12.352 554 HD12 LEU 70 HD12 LEU 70 -9.913 -10.754 13.478 555 HD13 LEU 70 HD13 LEU 70 -10.905 -10.616 12.036 556 HD21 LEU 70 HD21 LEU 70 -9.074 -10.397 9.705 557 HD22 LEU 70 HD22 LEU 70 -7.471 -11.025 10.074 558 HD23 LEU 70 HD23 LEU 70 -8.032 -9.545 10.845 559 H THR 71 HN THR 71 -4.786 -11.979 13.202 560 HA THR 71 HA THR 71 -4.876 -12.555 15.961 561 HB THR 71 HB THR 71 -2.407 -12.438 14.222 562 HG1 THR 71 HG1 THR 71 -4.395 -13.715 13.549 563 HG21 THR 71 HG21 THR 71 -1.636 -14.215 15.761 564 HG22 THR 71 HG22 THR 71 -3.134 -14.061 16.679 565 HG23 THR 71 HG23 THR 71 -1.988 -12.721 16.627 566 H GLN 72 HN GLN 72 -3.793 -9.784 14.196 567 HA GLN 72 HA GLN 72 -2.016 -8.702 16.122 568 HB2 GLN 72 HB2 GLN 72 -2.161 -7.968 13.737 569 HB3 GLN 72 HB1 GLN 72 -3.697 -7.189 14.115 570 HG2 GLN 72 HG2 GLN 72 -2.570 -5.820 15.840 571 HG3 GLN 72 HG1 GLN 72 -1.034 -6.573 15.419 572 HE21 GLN 72 HE21 GLN 72 0.082 -4.867 14.393 573 HE22 GLN 72 HE22 GLN 72 -0.524 -4.006 13.061 574 H LEU 73 HN LEU 73 -5.502 -8.485 15.668 575 HA LEU 73 HA LEU 73 -6.008 -6.395 17.490 576 HB2 LEU 73 HB2 LEU 73 -7.651 -8.662 16.381 577 HB3 LEU 73 HB1 LEU 73 -8.323 -7.626 17.641 578 HG LEU 73 HG LEU 73 -7.836 -5.637 16.237 579 HD11 LEU 73 HD11 LEU 73 -6.867 -7.768 14.327 580 HD12 LEU 73 HD12 LEU 73 -5.983 -6.362 14.919 581 HD13 LEU 73 HD13 LEU 73 -7.317 -6.152 13.788 582 HD21 LEU 73 HD21 LEU 73 -9.506 -6.236 14.393 583 HD22 LEU 73 HD22 LEU 73 -10.051 -6.491 16.051 584 HD23 LEU 73 HD23 LEU 73 -9.519 -7.862 15.074 585 H LYS 74 HN LYS 74 -5.751 -9.892 17.937 586 HA LYS 74 HA LYS 74 -6.610 -10.039 20.599 587 HB2 LYS 74 HB2 LYS 74 -6.193 -12.001 19.126 588 HB3 LYS 74 HB1 LYS 74 -4.461 -11.703 19.276 589 HG2 LYS 74 HG2 LYS 74 -4.525 -12.081 21.658 590 HG3 LYS 74 HG1 LYS 74 -6.286 -12.146 21.654 591 HD2 LYS 74 HD2 LYS 74 -5.508 -14.423 21.723 592 HD3 LYS 74 HD1 LYS 74 -6.114 -14.136 20.094 593 HE2 LYS 74 HE2 LYS 74 -3.932 -13.961 19.188 594 HE3 LYS 74 HE1 LYS 74 -3.195 -13.753 20.775 595 HZ1 LYS 74 HZ1 LYS 74 -3.804 -16.010 21.325 596 HZ2 LYS 74 HZ2 LYS 74 -2.862 -15.981 19.913 597 HZ3 LYS 74 HZ3 LYS 74 -4.543 -16.213 19.812 598 H GLU 75 HN GLU 75 -3.378 -9.444 19.251 599 HA GLU 75 HA GLU 75 -2.042 -9.317 21.760 600 HB2 GLU 75 HB2 GLU 75 -1.326 -8.180 19.046 601 HB3 GLU 75 HB1 GLU 75 -0.245 -8.170 20.440 602 HG2 GLU 75 HG2 GLU 75 -0.339 -10.616 20.566 603 HG3 GLU 75 HG1 GLU 75 -1.478 -10.656 19.221 604 H GLN 76 HN GLN 76 -3.536 -6.873 19.671 605 HA GLN 76 HA GLN 76 -2.684 -4.609 21.132 606 HB2 GLN 76 HB2 GLN 76 -5.062 -5.077 19.323 607 HB3 GLN 76 HB1 GLN 76 -4.672 -3.500 20.007 608 HG2 GLN 76 HG2 GLN 76 -2.755 -5.154 18.340 609 HG3 GLN 76 HG1 GLN 76 -3.743 -3.842 17.702 610 HE21 GLN 76 HE21 GLN 76 -0.657 -4.414 18.656 611 HE22 GLN 76 HE22 GLN 76 -0.247 -2.889 19.280 612 H VAL 77 HN VAL 77 -5.825 -6.308 21.175 613 HA VAL 77 HA VAL 77 -6.940 -4.835 23.293 614 HB VAL 77 HB VAL 77 -7.471 -7.679 22.402 615 HG11 VAL 77 HG11 VAL 77 -8.352 -7.497 24.598 616 HG12 VAL 77 HG12 VAL 77 -9.723 -7.175 23.536 617 HG13 VAL 77 HG13 VAL 77 -8.892 -5.840 24.336 618 HG21 VAL 77 HG21 VAL 77 -8.814 -5.029 21.781 619 HG22 VAL 77 HG22 VAL 77 -9.417 -6.606 21.272 620 HG23 VAL 77 HG23 VAL 77 -7.876 -6.011 20.655 621 H THR 78 HN THR 78 -5.146 -7.907 23.288 622 HA THR 78 HA THR 78 -5.309 -8.420 26.051 623 HB THR 78 HB THR 78 -3.164 -9.192 24.059 624 HG1 THR 78 HG1 THR 78 -4.423 -10.857 23.651 625 HG21 THR 78 HG21 THR 78 -3.745 -10.095 26.886 626 HG22 THR 78 HG22 THR 78 -2.235 -9.443 26.248 627 HG23 THR 78 HG23 THR 78 -2.779 -11.046 25.756 628 H SER 79 HN SER 79 -2.889 -6.670 24.132 629 HA SER 79 HA SER 79 -1.107 -6.118 26.253 630 HB2 SER 79 HB2 SER 79 -0.494 -5.873 23.877 631 HB3 SER 79 HB1 SER 79 -1.611 -4.520 23.731 632 HG SER 79 HG SER 79 0.908 -4.575 24.691 633 H ALA 80 HN ALA 80 -3.889 -4.341 24.960 634 HA ALA 80 HA ALA 80 -3.624 -1.964 26.382 635 HB1 ALA 80 HB1 ALA 80 -5.300 -2.309 24.614 636 HB2 ALA 80 HB2 ALA 80 -6.050 -1.713 26.095 637 HB3 ALA 80 HB3 ALA 80 -6.177 -3.419 25.668 638 H LEU 81 HN LEU 81 -5.378 -4.916 27.328 639 HA LEU 81 HA LEU 81 -6.113 -3.962 29.908 640 HB2 LEU 81 HB2 LEU 81 -5.775 -6.835 29.017 641 HB3 LEU 81 HB1 LEU 81 -6.745 -6.252 30.368 642 HG LEU 81 HG LEU 81 -7.201 -5.489 27.469 643 HD11 LEU 81 HD11 LEU 81 -7.754 -7.833 27.768 644 HD12 LEU 81 HD12 LEU 81 -9.263 -6.920 27.745 645 HD13 LEU 81 HD13 LEU 81 -8.598 -7.486 29.277 646 HD21 LEU 81 HD21 LEU 81 -8.099 -3.736 28.744 647 HD22 LEU 81 HD22 LEU 81 -8.544 -4.793 30.084 648 HD23 LEU 81 HD23 LEU 81 -9.482 -4.814 28.592 649 H GLY 82 HN GLY 82 -3.275 -5.557 28.629 650 HA2 GLY 82 HA2 GLY 82 -1.146 -5.623 29.579 651 HA3 GLY 82 HA1 GLY 82 -1.814 -4.978 31.075 652 H LEU 83 HN LEU 83 -3.570 -7.603 29.810 653 HA LEU 83 HA LEU 83 -3.062 -9.252 32.054 654 HB2 LEU 83 HB2 LEU 83 -4.331 -9.842 29.371 655 HB3 LEU 83 HB1 LEU 83 -4.297 -10.988 30.707 656 HG LEU 83 HG LEU 83 -5.427 -8.186 30.952 657 HD11 LEU 83 HD11 LEU 83 -6.908 -10.790 30.478 658 HD12 LEU 83 HD12 LEU 83 -6.702 -9.510 29.282 659 HD13 LEU 83 HD13 LEU 83 -7.647 -9.211 30.742 660 HD21 LEU 83 HD21 LEU 83 -5.287 -10.620 32.735 661 HD22 LEU 83 HD22 LEU 83 -6.656 -9.527 32.884 662 HD23 LEU 83 HD23 LEU 83 -5.029 -8.925 33.135 663 H GLU 84 HN GLU 84 -1.845 -9.287 28.738 664 HA GLU 84 HA GLU 84 -0.105 -10.429 27.763 665 HB2 GLU 84 HB2 GLU 84 0.887 -10.345 30.623 666 HB3 GLU 84 HB1 GLU 84 1.870 -10.828 29.241 667 HG2 GLU 84 HG2 GLU 84 0.455 -8.160 29.449 668 HG3 GLU 84 HG1 GLU 84 2.143 -8.410 29.888 669 H HIS 85 HN HIS 85 0.219 -12.071 30.865 670 HA HIS 85 HA HIS 85 0.057 -14.649 29.576 671 HB2 HIS 85 HB2 HIS 85 0.332 -15.492 31.943 672 HB3 HIS 85 HB1 HIS 85 1.626 -14.437 31.374 673 HD2 HIS 85 HD2 HIS 85 1.725 -11.882 32.630 674 HE1 HIS 85 HE1 HIS 85 -1.334 -12.663 35.433 675 HE2 HIS 85 HE2 HIS 85 0.500 -11.034 34.775 676 H HIS 86 HN HIS 86 -1.501 -16.251 29.939 677 HA HIS 86 HA HIS 86 -3.900 -15.611 31.472 678 HB2 HIS 86 HB2 HIS 86 -4.305 -14.556 29.261 679 HB3 HIS 86 HB1 HIS 86 -4.055 -16.123 28.491 680 HD2 HIS 86 HD2 HIS 86 -6.474 -17.375 28.109 681 HE1 HIS 86 HE1 HIS 86 -8.536 -15.766 31.423 682 HE2 HIS 86 HE2 HIS 86 -8.735 -17.307 29.414 683 H HIS 87 HN HIS 87 -5.439 -17.456 31.465 684 HA HIS 87 HA HIS 87 -3.981 -19.929 31.786 685 HB2 HIS 87 HB2 HIS 87 -6.914 -19.250 32.112 686 HB3 HIS 87 HB1 HIS 87 -6.204 -20.817 32.496 687 HD2 HIS 87 HD2 HIS 87 -5.033 -20.945 35.014 688 HE1 HIS 87 HE1 HIS 87 -5.061 -16.807 35.857 689 HE2 HIS 87 HE2 HIS 87 -4.557 -19.108 36.809 690 H HIS 88 HN HIS 88 -4.619 -21.948 30.788 691 HA HIS 88 HA HIS 88 -4.907 -21.711 27.951 692 HB2 HIS 88 HB2 HIS 88 -3.581 -23.505 29.027 693 HB3 HIS 88 HB1 HIS 88 -5.067 -24.180 29.696 694 HD2 HIS 88 HD2 HIS 88 -3.125 -24.130 26.328 695 HE1 HIS 88 HE1 HIS 88 -6.753 -26.181 25.655 696 HE2 HIS 88 HE2 HIS 88 -4.495 -25.592 24.653 697 H HIS 89 HN HIS 89 -6.699 -21.734 26.747 698 HA HIS 89 HA HIS 89 -9.284 -21.749 27.981 699 HB2 HIS 89 HB2 HIS 89 -10.112 -21.557 25.640 700 HB3 HIS 89 HB1 HIS 89 -8.879 -20.358 26.029 701 HD2 HIS 89 HD2 HIS 89 -9.313 -23.516 23.743 702 HE1 HIS 89 HE1 HIS 89 -5.503 -21.867 22.976 703 HE2 HIS 89 HE2 HIS 89 -7.194 -23.602 22.219 704 H HIS 90 HN HIS 90 -10.802 -23.330 28.062 705 HA HIS 90 HA HIS 90 -10.167 -25.995 28.137 706 HB2 HIS 90 HB2 HIS 90 -12.797 -24.680 27.434 707 HB3 HIS 90 HB1 HIS 90 -12.628 -26.411 27.726 708 HD2 HIS 90 HD2 HIS 90 -12.471 -27.128 30.426 709 HE1 HIS 90 HE1 HIS 90 -12.316 -23.214 32.003 710 HE2 HIS 90 HE2 HIS 90 -12.505 -25.676 32.597 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -10.090 4.107 20.936 2 H2 MET 1 HT2 MET 1 -9.083 3.334 19.806 3 H3 MET 1 HT3 MET 1 -10.744 3.509 19.491 4 HA MET 1 HA MET 1 -9.849 5.181 18.207 5 HB2 MET 1 HB2 MET 1 -10.403 6.365 20.946 6 HB3 MET 1 HB1 MET 1 -10.336 7.292 19.446 7 HG2 MET 1 HG2 MET 1 -12.239 4.988 19.969 8 HG3 MET 1 HG1 MET 1 -12.672 6.691 20.095 9 HE1 MET 1 HE1 MET 1 -12.717 8.142 16.753 10 HE2 MET 1 HE2 MET 1 -11.058 7.986 17.326 11 HE3 MET 1 HE3 MET 1 -12.350 8.330 18.473 12 H GLY 2 HN GLY 2 -7.587 3.895 18.723 13 HA2 GLY 2 HA2 GLY 2 -5.562 5.756 18.530 14 HA3 GLY 2 HA1 GLY 2 -5.666 5.367 20.244 15 H GLN 3 HN GLN 3 -4.751 3.525 20.979 16 HA GLN 3 HA GLN 3 -2.933 2.099 19.358 17 HB2 GLN 3 HB2 GLN 3 -4.112 1.464 22.071 18 HB3 GLN 3 HB1 GLN 3 -2.819 0.527 21.320 19 HG2 GLN 3 HG2 GLN 3 -1.411 2.539 21.199 20 HG3 GLN 3 HG1 GLN 3 -2.706 3.498 21.915 21 HE21 GLN 3 HE21 GLN 3 -0.632 3.749 23.483 22 HE22 GLN 3 HE22 GLN 3 -0.623 2.677 24.800 23 H ILE 4 HN ILE 4 -6.275 1.503 20.273 24 HA ILE 4 HA ILE 4 -6.284 -1.164 19.106 25 HB ILE 4 HB ILE 4 -8.470 0.506 20.277 26 HG12 ILE 4 HG12 ILE 4 -7.138 -1.973 21.380 27 HG13 ILE 4 HG11 ILE 4 -6.614 -0.342 21.799 28 HG21 ILE 4 HG21 ILE 4 -8.416 -2.321 19.213 29 HG22 ILE 4 HG22 ILE 4 -9.489 -1.009 18.726 30 HG23 ILE 4 HG23 ILE 4 -9.664 -1.747 20.318 31 HD11 ILE 4 HD11 ILE 4 -9.414 -1.438 22.210 32 HD12 ILE 4 HD12 ILE 4 -8.859 0.174 22.661 33 HD13 ILE 4 HD13 ILE 4 -8.201 -1.244 23.475 34 H PHE 5 HN PHE 5 -6.892 -1.663 17.080 35 HA PHE 5 HA PHE 5 -7.280 0.389 15.148 36 HB2 PHE 5 HB2 PHE 5 -7.568 -2.616 15.068 37 HB3 PHE 5 HB1 PHE 5 -7.894 -1.609 13.659 38 HD1 PHE 5 HD2 PHE 5 -6.085 -0.187 12.694 39 HD2 PHE 5 HD1 PHE 5 -5.325 -3.023 15.827 40 HE1 PHE 5 HE2 PHE 5 -3.655 -0.072 12.210 41 HE2 PHE 5 HE1 PHE 5 -2.897 -2.909 15.344 42 HZ PHE 5 HZ PHE 5 -2.061 -1.434 13.535 43 H THR 6 HN THR 6 -9.093 1.240 14.292 44 HA THR 6 HA THR 6 -11.599 0.773 15.653 45 HB THR 6 HB THR 6 -12.406 2.490 13.906 46 HG1 THR 6 HG1 THR 6 -9.641 2.896 13.562 47 HG21 THR 6 HG21 THR 6 -11.018 4.327 15.059 48 HG22 THR 6 HG22 THR 6 -10.257 3.013 15.957 49 HG23 THR 6 HG23 THR 6 -11.996 3.281 16.089 50 H VAL 7 HN VAL 7 -13.610 0.412 14.425 51 HA VAL 7 HA VAL 7 -13.507 -1.999 12.977 52 HB VAL 7 HB VAL 7 -15.508 -1.385 14.190 53 HG11 VAL 7 HG11 VAL 7 -16.822 0.547 13.704 54 HG12 VAL 7 HG12 VAL 7 -15.957 0.851 12.199 55 HG13 VAL 7 HG13 VAL 7 -15.155 1.128 13.747 56 HG21 VAL 7 HG21 VAL 7 -17.131 -1.999 12.561 57 HG22 VAL 7 HG22 VAL 7 -15.623 -2.673 11.939 58 HG23 VAL 7 HG23 VAL 7 -16.263 -1.175 11.266 59 H GLN 8 HN GLN 8 -14.013 1.348 11.887 60 HA GLN 8 HA GLN 8 -14.512 0.962 9.213 61 HB2 GLN 8 HB2 GLN 8 -12.962 3.163 9.024 62 HB3 GLN 8 HB1 GLN 8 -14.567 3.215 9.758 63 HG2 GLN 8 HG2 GLN 8 -13.696 3.123 11.954 64 HG3 GLN 8 HG1 GLN 8 -12.107 2.611 11.394 65 HE21 GLN 8 HE21 GLN 8 -11.235 4.541 12.600 66 HE22 GLN 8 HE22 GLN 8 -11.332 6.074 11.879 67 H GLU 9 HN GLU 9 -11.307 1.148 10.761 68 HA GLU 9 HA GLU 9 -9.862 0.640 8.361 69 HB2 GLU 9 HB2 GLU 9 -9.093 0.397 11.276 70 HB3 GLU 9 HB1 GLU 9 -7.962 0.171 9.942 71 HG2 GLU 9 HG2 GLU 9 -8.414 2.443 9.140 72 HG3 GLU 9 HG1 GLU 9 -9.602 2.676 10.421 73 H LEU 10 HN LEU 10 -11.180 -1.361 10.917 74 HA LEU 10 HA LEU 10 -9.884 -3.769 10.206 75 HB2 LEU 10 HB2 LEU 10 -11.207 -3.183 12.357 76 HB3 LEU 10 HB1 LEU 10 -12.629 -3.671 11.433 77 HG LEU 10 HG LEU 10 -11.129 -5.814 10.878 78 HD11 LEU 10 HD11 LEU 10 -10.013 -4.852 13.535 79 HD12 LEU 10 HD12 LEU 10 -9.111 -4.972 12.024 80 HD13 LEU 10 HD13 LEU 10 -9.707 -6.433 12.813 81 HD21 LEU 10 HD21 LEU 10 -12.049 -6.883 13.001 82 HD22 LEU 10 HD22 LEU 10 -13.234 -6.039 12.003 83 HD23 LEU 10 HD23 LEU 10 -12.610 -5.276 13.464 84 H LYS 11 HN LYS 11 -12.842 -2.227 9.113 85 HA LYS 11 HA LYS 11 -13.987 -4.383 7.737 86 HB2 LYS 11 HB2 LYS 11 -14.103 -1.404 7.263 87 HB3 LYS 11 HB1 LYS 11 -15.057 -2.561 6.335 88 HG2 LYS 11 HG2 LYS 11 -16.101 -3.388 8.397 89 HG3 LYS 11 HG1 LYS 11 -15.114 -2.285 9.353 90 HD2 LYS 11 HD2 LYS 11 -17.301 -1.286 9.050 91 HD3 LYS 11 HD1 LYS 11 -16.121 -0.370 8.117 92 HE2 LYS 11 HE2 LYS 11 -17.561 -2.624 6.746 93 HE3 LYS 11 HE1 LYS 11 -18.426 -1.110 7.016 94 HZ1 LYS 11 HZ1 LYS 11 -16.380 -1.691 5.134 95 HZ2 LYS 11 HZ2 LYS 11 -15.945 -0.372 6.112 96 HZ3 LYS 11 HZ3 LYS 11 -17.399 -0.338 5.233 97 H GLU 12 HN GLU 12 -11.602 -1.969 6.692 98 HA GLU 12 HA GLU 12 -11.492 -2.720 3.978 99 HB2 GLU 12 HB2 GLU 12 -10.496 -0.642 4.998 100 HB3 GLU 12 HB1 GLU 12 -9.202 -1.653 5.641 101 HG2 GLU 12 HG2 GLU 12 -8.407 -0.741 3.563 102 HG3 GLU 12 HG1 GLU 12 -8.772 -2.440 3.268 103 H ARG 13 HN ARG 13 -9.377 -3.673 6.699 104 HA ARG 13 HA ARG 13 -7.906 -5.575 5.163 105 HB2 ARG 13 HB2 ARG 13 -8.214 -5.181 8.144 106 HB3 ARG 13 HB1 ARG 13 -7.118 -6.359 7.421 107 HG2 ARG 13 HG2 ARG 13 -5.965 -4.560 6.201 108 HG3 ARG 13 HG1 ARG 13 -7.071 -3.372 6.893 109 HD2 ARG 13 HD2 ARG 13 -5.280 -5.179 8.534 110 HD3 ARG 13 HD1 ARG 13 -4.874 -3.523 8.099 111 HE ARG 13 HE ARG 13 -7.409 -3.501 9.312 112 HH11 ARG 13 HH21 ARG 13 -4.099 -4.198 10.044 113 HH12 ARG 13 HH22 ARG 13 -4.230 -3.752 11.714 114 HH21 ARG 13 HH11 ARG 13 -7.588 -2.916 11.500 115 HH22 ARG 13 HH12 ARG 13 -6.206 -3.027 12.537 116 H ALA 14 HN ALA 14 -10.692 -5.776 7.309 117 HA ALA 14 HA ALA 14 -10.846 -8.639 7.268 118 HB1 ALA 14 HB1 ALA 14 -12.939 -8.361 8.433 119 HB2 ALA 14 HB2 ALA 14 -13.029 -6.663 7.967 120 HB3 ALA 14 HB3 ALA 14 -11.786 -7.204 9.096 121 H LYS 15 HN LYS 15 -11.548 -6.272 4.996 122 HA LYS 15 HA LYS 15 -13.922 -7.132 3.813 123 HB2 LYS 15 HB2 LYS 15 -12.699 -5.062 3.198 124 HB3 LYS 15 HB1 LYS 15 -11.482 -6.059 2.401 125 HG2 LYS 15 HG2 LYS 15 -13.129 -6.930 0.845 126 HG3 LYS 15 HG1 LYS 15 -14.433 -6.115 1.707 127 HD2 LYS 15 HD2 LYS 15 -13.948 -4.721 -0.172 128 HD3 LYS 15 HD1 LYS 15 -13.210 -3.924 1.215 129 HE2 LYS 15 HE2 LYS 15 -11.023 -4.665 0.608 130 HE3 LYS 15 HE1 LYS 15 -11.659 -5.819 -0.565 131 HZ1 LYS 15 HZ1 LYS 15 -12.491 -3.968 -1.871 132 HZ2 LYS 15 HZ2 LYS 15 -10.813 -3.844 -1.644 133 HZ3 LYS 15 HZ3 LYS 15 -11.869 -2.866 -0.741 134 H VAL 16 HN VAL 16 -10.580 -8.175 3.185 135 HA VAL 16 HA VAL 16 -9.755 -9.916 1.908 136 HB VAL 16 HB VAL 16 -10.497 -10.976 4.037 137 HG11 VAL 16 HG11 VAL 16 -13.055 -11.458 2.479 138 HG12 VAL 16 HG12 VAL 16 -12.862 -10.737 4.076 139 HG13 VAL 16 HG13 VAL 16 -12.584 -12.464 3.847 140 HG21 VAL 16 HG21 VAL 16 -9.479 -12.226 1.914 141 HG22 VAL 16 HG22 VAL 16 -11.055 -13.021 1.900 142 HG23 VAL 16 HG23 VAL 16 -10.021 -13.140 3.323 143 H PHE 17 HN PHE 17 -10.604 -11.980 0.544 144 HA PHE 17 HA PHE 17 -11.960 -10.872 -1.713 145 HB2 PHE 17 HB2 PHE 17 -10.287 -12.614 -2.008 146 HB3 PHE 17 HB1 PHE 17 -11.227 -13.725 -1.011 147 HD1 PHE 17 HD2 PHE 17 -11.406 -11.666 -4.120 148 HD2 PHE 17 HD1 PHE 17 -12.915 -15.072 -1.981 149 HE1 PHE 17 HE2 PHE 17 -12.702 -12.347 -6.121 150 HE2 PHE 17 HE1 PHE 17 -14.213 -15.752 -3.983 151 HZ PHE 17 HZ PHE 17 -14.106 -14.390 -6.052 152 H ALA 18 HN ALA 18 -14.076 -10.892 -2.193 153 HA ALA 18 HA ALA 18 -16.322 -11.352 -2.124 154 HB1 ALA 18 HB1 ALA 18 -15.372 -13.781 -1.998 155 HB2 ALA 18 HB2 ALA 18 -17.057 -13.496 -1.565 156 HB3 ALA 18 HB3 ALA 18 -15.843 -13.698 -0.300 157 H LYS 19 HN LYS 19 -18.187 -11.451 -0.567 158 HA LYS 19 HA LYS 19 -17.444 -9.881 1.803 159 HB2 LYS 19 HB2 LYS 19 -19.184 -9.087 0.135 160 HB3 LYS 19 HB1 LYS 19 -20.235 -10.350 0.783 161 HG2 LYS 19 HG2 LYS 19 -20.815 -8.571 2.193 162 HG3 LYS 19 HG1 LYS 19 -19.513 -9.295 3.135 163 HD2 LYS 19 HD2 LYS 19 -17.948 -7.665 1.848 164 HD3 LYS 19 HD1 LYS 19 -19.427 -6.822 1.399 165 HE2 LYS 19 HE2 LYS 19 -20.010 -6.641 3.816 166 HE3 LYS 19 HE1 LYS 19 -18.457 -7.375 4.214 167 HZ1 LYS 19 HZ1 LYS 19 -18.820 -4.875 2.655 168 HZ2 LYS 19 HZ2 LYS 19 -17.335 -5.574 3.093 169 HZ3 LYS 19 HZ3 LYS 19 -18.370 -4.952 4.288 170 HA PRO 20 HA PRO 20 -17.988 -13.756 4.157 171 HB2 PRO 20 HB2 PRO 20 -17.965 -11.784 6.415 172 HB3 PRO 20 HB1 PRO 20 -17.022 -13.273 6.215 173 HG2 PRO 20 HG2 PRO 20 -15.924 -10.858 5.877 174 HG3 PRO 20 HG1 PRO 20 -15.445 -12.249 4.885 175 HD2 PRO 20 HD2 PRO 20 -17.140 -9.901 4.137 176 HD3 PRO 20 HD1 PRO 20 -16.041 -10.876 3.142 177 H ILE 21 HN ILE 21 -19.733 -14.741 5.173 178 HA ILE 21 HA ILE 21 -22.307 -13.852 4.705 179 HB ILE 21 HB ILE 21 -21.693 -16.181 5.323 180 HG12 ILE 21 HG12 ILE 21 -23.731 -15.054 7.257 181 HG13 ILE 21 HG11 ILE 21 -24.046 -15.200 5.525 182 HG21 ILE 21 HG21 ILE 21 -21.233 -16.774 7.598 183 HG22 ILE 21 HG22 ILE 21 -21.637 -15.157 8.171 184 HG23 ILE 21 HG23 ILE 21 -20.172 -15.417 7.223 185 HD11 ILE 21 HD11 ILE 21 -23.674 -17.605 5.615 186 HD12 ILE 21 HD12 ILE 21 -24.872 -17.167 6.833 187 HD13 ILE 21 HD13 ILE 21 -23.207 -17.502 7.313 188 H GLY 22 HN GLY 22 -23.751 -12.580 5.743 189 HA2 GLY 22 HA2 GLY 22 -22.781 -10.751 7.738 190 HA3 GLY 22 HA1 GLY 22 -24.409 -10.800 7.069 191 H ALA 23 HN ALA 23 -24.575 -10.287 9.563 192 HA ALA 23 HA ALA 23 -25.635 -10.997 11.481 193 HB1 ALA 23 HB1 ALA 23 -26.780 -13.018 11.505 194 HB2 ALA 23 HB2 ALA 23 -25.498 -13.882 10.656 195 HB3 ALA 23 HB3 ALA 23 -26.565 -12.792 9.770 196 H SER 24 HN SER 24 -23.526 -13.732 10.606 197 HA SER 24 HA SER 24 -22.431 -13.894 13.252 198 HB2 SER 24 HB2 SER 24 -22.688 -15.860 11.737 199 HB3 SER 24 HB1 SER 24 -21.429 -15.186 10.705 200 HG SER 24 HG SER 24 -21.258 -16.124 13.365 201 H TYR 25 HN TYR 25 -21.346 -12.598 10.151 202 HA TYR 25 HA TYR 25 -18.703 -11.952 11.078 203 HB2 TYR 25 HB2 TYR 25 -19.094 -12.325 8.706 204 HB3 TYR 25 HB1 TYR 25 -20.267 -11.008 8.663 205 HD1 TYR 25 HD2 TYR 25 -16.679 -11.779 9.366 206 HD2 TYR 25 HD1 TYR 25 -19.570 -8.770 8.343 207 HE1 TYR 25 HE2 TYR 25 -14.848 -10.154 8.964 208 HE2 TYR 25 HE1 TYR 25 -17.740 -7.147 7.943 209 HH TYR 25 HH TYR 25 -14.604 -7.622 8.986 210 H GLN 26 HN GLN 26 -21.807 -10.445 11.234 211 HA GLN 26 HA GLN 26 -20.979 -7.745 11.480 212 HB2 GLN 26 HB2 GLN 26 -23.320 -8.495 11.026 213 HB3 GLN 26 HB1 GLN 26 -23.425 -9.031 12.702 214 HG2 GLN 26 HG2 GLN 26 -24.378 -6.805 12.556 215 HG3 GLN 26 HG1 GLN 26 -22.848 -6.690 13.423 216 HE21 GLN 26 HE21 GLN 26 -23.832 -6.693 9.939 217 HE22 GLN 26 HE22 GLN 26 -22.880 -5.350 9.527 218 H GLY 27 HN GLY 27 -21.206 -10.402 13.738 219 HA2 GLY 27 HA2 GLY 27 -20.905 -8.796 16.098 220 HA3 GLY 27 HA1 GLY 27 -20.797 -10.548 16.011 221 H ILE 28 HN ILE 28 -18.760 -10.038 13.740 222 HA ILE 28 HA ILE 28 -16.443 -10.418 15.318 223 HB ILE 28 HB ILE 28 -16.772 -9.766 12.389 224 HG12 ILE 28 HG12 ILE 28 -17.683 -11.914 13.207 225 HG13 ILE 28 HG11 ILE 28 -16.346 -12.136 12.084 226 HG21 ILE 28 HG21 ILE 28 -14.315 -10.419 14.006 227 HG22 ILE 28 HG22 ILE 28 -14.566 -9.047 12.925 228 HG23 ILE 28 HG23 ILE 28 -14.393 -10.675 12.265 229 HD11 ILE 28 HD11 ILE 28 -15.613 -13.591 13.702 230 HD12 ILE 28 HD12 ILE 28 -16.547 -12.802 14.968 231 HD13 ILE 28 HD13 ILE 28 -14.992 -12.130 14.477 232 H LEU 29 HN LEU 29 -17.686 -7.606 13.557 233 HA LEU 29 HA LEU 29 -15.439 -5.978 14.486 234 HB2 LEU 29 HB2 LEU 29 -16.798 -4.197 13.195 235 HB3 LEU 29 HB1 LEU 29 -15.978 -5.460 12.282 236 HG LEU 29 HG LEU 29 -18.767 -6.100 13.157 237 HD11 LEU 29 HD11 LEU 29 -18.149 -3.982 11.100 238 HD12 LEU 29 HD12 LEU 29 -19.216 -3.859 12.497 239 HD13 LEU 29 HD13 LEU 29 -19.669 -4.876 11.129 240 HD21 LEU 29 HD21 LEU 29 -18.832 -7.132 10.927 241 HD22 LEU 29 HD22 LEU 29 -17.365 -7.614 11.774 242 HD23 LEU 29 HD23 LEU 29 -17.291 -6.380 10.520 243 H ASP 30 HN ASP 30 -18.804 -6.567 15.201 244 HA ASP 30 HA ASP 30 -19.424 -4.188 16.568 245 HB2 ASP 30 HB2 ASP 30 -21.006 -6.077 15.905 246 HB3 ASP 30 HB1 ASP 30 -20.436 -6.916 17.345 247 H GLN 31 HN GLN 31 -17.741 -7.109 17.582 248 HA GLN 31 HA GLN 31 -17.717 -6.557 20.361 249 HB2 GLN 31 HB2 GLN 31 -17.199 -8.788 19.278 250 HB3 GLN 31 HB1 GLN 31 -15.628 -8.125 18.831 251 HG2 GLN 31 HG2 GLN 31 -15.361 -9.323 20.905 252 HG3 GLN 31 HG1 GLN 31 -15.241 -7.600 21.260 253 HE21 GLN 31 HE21 GLN 31 -16.120 -7.551 23.381 254 HE22 GLN 31 HE22 GLN 31 -17.688 -8.082 23.755 255 H LEU 32 HN LEU 32 -15.621 -5.605 17.701 256 HA LEU 32 HA LEU 32 -13.456 -4.631 19.222 257 HB2 LEU 32 HB2 LEU 32 -14.501 -4.084 16.462 258 HB3 LEU 32 HB1 LEU 32 -13.185 -3.099 17.099 259 HG LEU 32 HG LEU 32 -12.438 -5.108 15.783 260 HD11 LEU 32 HD11 LEU 32 -11.242 -4.007 17.942 261 HD12 LEU 32 HD12 LEU 32 -10.558 -5.380 17.076 262 HD13 LEU 32 HD13 LEU 32 -11.469 -5.646 18.561 263 HD21 LEU 32 HD21 LEU 32 -14.378 -6.513 16.743 264 HD22 LEU 32 HD22 LEU 32 -13.344 -6.746 18.152 265 HD23 LEU 32 HD23 LEU 32 -12.814 -7.310 16.567 266 H ASP 33 HN ASP 33 -16.347 -2.991 17.976 267 HA ASP 33 HA ASP 33 -15.660 -0.454 19.072 268 HB2 ASP 33 HB2 ASP 33 -17.261 -0.732 17.222 269 HB3 ASP 33 HB1 ASP 33 -18.377 -1.543 18.319 270 H LEU 34 HN LEU 34 -17.439 -3.236 20.245 271 HA LEU 34 HA LEU 34 -18.630 -2.032 22.487 272 HB2 LEU 34 HB2 LEU 34 -19.264 -4.262 21.569 273 HB3 LEU 34 HB1 LEU 34 -17.758 -4.916 22.217 274 HG LEU 34 HG LEU 34 -18.462 -4.180 24.499 275 HD11 LEU 34 HD11 LEU 34 -21.088 -3.769 24.592 276 HD12 LEU 34 HD12 LEU 34 -20.832 -3.177 22.947 277 HD13 LEU 34 HD13 LEU 34 -19.980 -2.430 24.299 278 HD21 LEU 34 HD21 LEU 34 -18.875 -6.466 23.976 279 HD22 LEU 34 HD22 LEU 34 -20.241 -6.060 22.937 280 HD23 LEU 34 HD23 LEU 34 -20.374 -5.867 24.685 281 H VAL 35 HN VAL 35 -15.490 -3.576 22.055 282 HA VAL 35 HA VAL 35 -14.683 -3.801 24.687 283 HB VAL 35 HB VAL 35 -13.488 -4.410 22.403 284 HG11 VAL 35 HG11 VAL 35 -11.870 -1.951 23.095 285 HG12 VAL 35 HG12 VAL 35 -13.211 -1.842 21.968 286 HG13 VAL 35 HG13 VAL 35 -11.849 -2.905 21.609 287 HG21 VAL 35 HG21 VAL 35 -11.352 -4.655 23.620 288 HG22 VAL 35 HG22 VAL 35 -12.717 -5.106 24.647 289 HG23 VAL 35 HG23 VAL 35 -11.932 -3.543 24.861 290 H HIS 36 HN HIS 36 -15.001 -0.953 22.705 291 HA HIS 36 HA HIS 36 -13.439 0.750 24.433 292 HB2 HIS 36 HB2 HIS 36 -15.289 1.290 22.105 293 HB3 HIS 36 HB1 HIS 36 -14.482 2.574 23.005 294 HD2 HIS 36 HD2 HIS 36 -11.606 2.585 22.729 295 HE1 HIS 36 HE1 HIS 36 -11.546 -0.119 19.487 296 HE2 HIS 36 HE2 HIS 36 -10.154 1.522 20.837 297 H GLN 37 HN GLN 37 -16.891 0.202 23.803 298 HA GLN 37 HA GLN 37 -17.666 2.076 25.891 299 HB2 GLN 37 HB2 GLN 37 -18.935 1.618 23.685 300 HB3 GLN 37 HB1 GLN 37 -19.504 0.148 24.473 301 HG2 GLN 37 HG2 GLN 37 -21.159 1.865 24.858 302 HG3 GLN 37 HG1 GLN 37 -20.320 1.590 26.384 303 HE21 GLN 37 HE21 GLN 37 -20.443 3.699 27.286 304 HE22 GLN 37 HE22 GLN 37 -19.769 5.069 26.545 305 H ALA 38 HN ALA 38 -16.646 -1.114 25.772 306 HA ALA 38 HA ALA 38 -18.365 -2.299 27.704 307 HB1 ALA 38 HB1 ALA 38 -16.605 -4.010 27.894 308 HB2 ALA 38 HB2 ALA 38 -15.521 -2.990 26.946 309 HB3 ALA 38 HB3 ALA 38 -16.980 -3.652 26.210 310 H LYS 39 HN LYS 39 -18.177 -2.485 29.893 311 HA LYS 39 HA LYS 39 -16.765 -0.402 31.262 312 HB2 LYS 39 HB2 LYS 39 -18.948 -1.280 32.036 313 HB3 LYS 39 HB1 LYS 39 -18.187 -2.831 32.381 314 HG2 LYS 39 HG2 LYS 39 -16.805 -0.497 33.616 315 HG3 LYS 39 HG1 LYS 39 -18.432 -0.794 34.232 316 HD2 LYS 39 HD2 LYS 39 -17.865 -3.080 34.793 317 HD3 LYS 39 HD1 LYS 39 -16.277 -2.912 34.045 318 HE2 LYS 39 HE2 LYS 39 -15.677 -1.176 35.680 319 HE3 LYS 39 HE1 LYS 39 -17.276 -1.304 36.415 320 HZ1 LYS 39 HZ1 LYS 39 -16.801 -3.315 37.330 321 HZ2 LYS 39 HZ2 LYS 39 -15.242 -2.639 37.345 322 HZ3 LYS 39 HZ3 LYS 39 -15.682 -3.741 36.128 323 H GLY 40 HN GLY 40 -15.180 -0.760 32.980 324 HA2 GLY 40 HA2 GLY 40 -12.830 -1.882 32.367 325 HA3 GLY 40 HA1 GLY 40 -13.411 -1.872 34.028 326 H ARG 41 HN ARG 41 -14.814 -3.751 34.662 327 HA ARG 41 HA ARG 41 -13.527 -6.205 34.175 328 HB2 ARG 41 HB2 ARG 41 -14.935 -5.703 36.167 329 HB3 ARG 41 HB1 ARG 41 -16.363 -5.759 35.135 330 HG2 ARG 41 HG2 ARG 41 -15.813 -8.100 34.518 331 HG3 ARG 41 HG1 ARG 41 -14.417 -8.039 35.593 332 HD2 ARG 41 HD2 ARG 41 -17.269 -7.564 36.481 333 HD3 ARG 41 HD1 ARG 41 -16.431 -9.107 36.623 334 HE ARG 41 HE ARG 41 -14.835 -7.132 37.832 335 HH11 ARG 41 HH21 ARG 41 -17.890 -8.716 38.204 336 HH12 ARG 41 HH22 ARG 41 -17.918 -8.556 39.929 337 HH21 ARG 41 HH11 ARG 41 -14.868 -6.916 40.092 338 HH22 ARG 41 HH12 ARG 41 -16.208 -7.536 40.997 339 H ASP 42 HN ASP 42 -16.500 -4.826 32.779 340 HA ASP 42 HA ASP 42 -17.250 -7.095 31.280 341 HB2 ASP 42 HB2 ASP 42 -18.694 -5.100 31.731 342 HB3 ASP 42 HB1 ASP 42 -17.727 -4.197 30.567 343 H GLN 43 HN GLN 43 -14.796 -4.704 30.787 344 HA GLN 43 HA GLN 43 -14.500 -5.002 27.982 345 HB2 GLN 43 HB2 GLN 43 -13.616 -3.070 29.318 346 HB3 GLN 43 HB1 GLN 43 -12.379 -4.151 29.961 347 HG2 GLN 43 HG2 GLN 43 -11.565 -4.603 27.694 348 HG3 GLN 43 HG1 GLN 43 -12.822 -3.567 27.021 349 HE21 GLN 43 HE21 GLN 43 -12.028 -1.529 26.515 350 HE22 GLN 43 HE22 GLN 43 -10.807 -0.716 27.369 351 H ILE 44 HN ILE 44 -13.253 -6.695 30.767 352 HA ILE 44 HA ILE 44 -11.170 -8.124 29.500 353 HB ILE 44 HB ILE 44 -12.842 -8.758 31.947 354 HG12 ILE 44 HG12 ILE 44 -9.953 -7.871 31.711 355 HG13 ILE 44 HG11 ILE 44 -11.294 -6.739 31.920 356 HG21 ILE 44 HG21 ILE 44 -10.842 -10.333 32.416 357 HG22 ILE 44 HG22 ILE 44 -10.489 -10.196 30.694 358 HG23 ILE 44 HG23 ILE 44 -12.024 -10.879 31.227 359 HD11 ILE 44 HD11 ILE 44 -11.949 -7.910 33.998 360 HD12 ILE 44 HD12 ILE 44 -10.297 -7.307 34.101 361 HD13 ILE 44 HD13 ILE 44 -10.594 -9.019 33.797 362 H ALA 45 HN ALA 45 -14.600 -8.867 30.022 363 HA ALA 45 HA ALA 45 -14.606 -11.483 29.026 364 HB1 ALA 45 HB1 ALA 45 -16.507 -10.375 30.217 365 HB2 ALA 45 HB2 ALA 45 -16.995 -11.196 28.734 366 HB3 ALA 45 HB3 ALA 45 -16.825 -9.441 28.755 367 H ALA 46 HN ALA 46 -14.846 -8.375 27.347 368 HA ALA 46 HA ALA 46 -15.494 -9.353 24.775 369 HB1 ALA 46 HB1 ALA 46 -14.086 -6.855 25.733 370 HB2 ALA 46 HB2 ALA 46 -15.753 -7.021 25.182 371 HB3 ALA 46 HB3 ALA 46 -14.426 -7.165 24.029 372 H SER 47 HN SER 47 -12.383 -8.705 26.380 373 HA SER 47 HA SER 47 -10.761 -9.288 24.165 374 HB2 SER 47 HB2 SER 47 -10.131 -9.637 27.101 375 HB3 SER 47 HB1 SER 47 -8.949 -9.575 25.796 376 HG SER 47 HG SER 47 -10.799 -7.511 25.898 377 H PHE 48 HN PHE 48 -11.873 -11.347 26.831 378 HA PHE 48 HA PHE 48 -10.557 -13.705 25.995 379 HB2 PHE 48 HB2 PHE 48 -11.445 -13.442 28.259 380 HB3 PHE 48 HB1 PHE 48 -13.090 -13.374 27.622 381 HD1 PHE 48 HD2 PHE 48 -10.031 -15.547 27.535 382 HD2 PHE 48 HD1 PHE 48 -14.323 -15.366 27.450 383 HE1 PHE 48 HE2 PHE 48 -10.138 -18.025 27.568 384 HE2 PHE 48 HE1 PHE 48 -14.428 -17.843 27.483 385 HZ PHE 48 HZ PHE 48 -12.335 -19.173 27.543 386 H GLU 49 HN GLU 49 -13.871 -12.526 25.450 387 HA GLU 49 HA GLU 49 -14.691 -14.757 23.884 388 HB2 GLU 49 HB2 GLU 49 -16.261 -13.196 25.024 389 HB3 GLU 49 HB1 GLU 49 -15.803 -11.940 23.873 390 HG2 GLU 49 HG2 GLU 49 -16.580 -13.338 22.011 391 HG3 GLU 49 HG1 GLU 49 -17.000 -14.626 23.136 392 H LEU 50 HN LEU 50 -13.373 -11.577 23.100 393 HA LEU 50 HA LEU 50 -13.662 -11.735 20.312 394 HB2 LEU 50 HB2 LEU 50 -13.121 -9.627 21.457 395 HB3 LEU 50 HB1 LEU 50 -11.546 -10.268 21.917 396 HG LEU 50 HG LEU 50 -10.933 -10.483 19.535 397 HD11 LEU 50 HD11 LEU 50 -12.872 -10.866 18.303 398 HD12 LEU 50 HD12 LEU 50 -12.609 -9.161 17.954 399 HD13 LEU 50 HD13 LEU 50 -13.800 -9.639 19.165 400 HD21 LEU 50 HD21 LEU 50 -10.575 -8.169 19.128 401 HD22 LEU 50 HD22 LEU 50 -10.644 -8.323 20.883 402 HD23 LEU 50 HD23 LEU 50 -12.038 -7.709 19.996 403 H ASN 51 HN ASN 51 -11.172 -12.915 22.494 404 HA ASN 51 HA ASN 51 -9.179 -13.529 20.636 405 HB2 ASN 51 HB2 ASN 51 -9.945 -14.874 23.234 406 HB3 ASN 51 HB1 ASN 51 -8.489 -15.274 22.325 407 HD21 ASN 51 HD21 ASN 51 -8.209 -14.221 24.924 408 HD22 ASN 51 HD22 ASN 51 -7.593 -12.642 24.825 409 H LYS 52 HN LYS 52 -12.012 -15.382 21.674 410 HA LYS 52 HA LYS 52 -11.385 -17.747 20.252 411 HB2 LYS 52 HB2 LYS 52 -13.770 -16.611 21.609 412 HB3 LYS 52 HB1 LYS 52 -14.133 -17.789 20.353 413 HG2 LYS 52 HG2 LYS 52 -13.931 -19.024 22.385 414 HG3 LYS 52 HG1 LYS 52 -12.438 -19.326 21.499 415 HD2 LYS 52 HD2 LYS 52 -11.535 -18.780 23.575 416 HD3 LYS 52 HD1 LYS 52 -11.612 -17.165 22.872 417 HE2 LYS 52 HE2 LYS 52 -12.600 -16.969 25.033 418 HE3 LYS 52 HE1 LYS 52 -13.953 -16.999 23.900 419 HZ1 LYS 52 HZ1 LYS 52 -14.650 -18.595 25.315 420 HZ2 LYS 52 HZ2 LYS 52 -13.081 -19.022 25.807 421 HZ3 LYS 52 HZ3 LYS 52 -13.689 -19.576 24.320 422 H LYS 53 HN LYS 53 -13.270 -14.881 19.383 423 HA LYS 53 HA LYS 53 -14.165 -15.820 16.882 424 HB2 LYS 53 HB2 LYS 53 -13.670 -13.030 17.935 425 HB3 LYS 53 HB1 LYS 53 -14.407 -13.352 16.368 426 HG2 LYS 53 HG2 LYS 53 -16.213 -14.593 17.442 427 HG3 LYS 53 HG1 LYS 53 -15.453 -14.366 19.020 428 HD2 LYS 53 HD2 LYS 53 -15.653 -11.900 18.734 429 HD3 LYS 53 HD1 LYS 53 -16.495 -12.167 17.206 430 HE2 LYS 53 HE2 LYS 53 -17.410 -13.315 19.839 431 HE3 LYS 53 HE1 LYS 53 -18.006 -11.790 19.189 432 HZ1 LYS 53 HZ1 LYS 53 -19.544 -13.257 18.372 433 HZ2 LYS 53 HZ2 LYS 53 -18.429 -14.528 18.214 434 HZ3 LYS 53 HZ3 LYS 53 -18.433 -13.253 17.090 435 H ILE 54 HN ILE 54 -11.323 -13.871 17.779 436 HA ILE 54 HA ILE 54 -10.305 -13.676 15.126 437 HB ILE 54 HB ILE 54 -8.972 -13.357 17.826 438 HG12 ILE 54 HG12 ILE 54 -9.777 -11.291 15.759 439 HG13 ILE 54 HG11 ILE 54 -10.798 -11.744 17.125 440 HG21 ILE 54 HG21 ILE 54 -7.219 -12.129 16.432 441 HG22 ILE 54 HG22 ILE 54 -7.936 -12.895 15.017 442 HG23 ILE 54 HG23 ILE 54 -7.211 -13.887 16.281 443 HD11 ILE 54 HD11 ILE 54 -9.541 -9.779 17.766 444 HD12 ILE 54 HD12 ILE 54 -8.028 -10.521 17.245 445 HD13 ILE 54 HD13 ILE 54 -8.883 -11.154 18.651 446 H ASN 55 HN ASN 55 -9.602 -15.838 17.856 447 HA ASN 55 HA ASN 55 -7.516 -17.274 16.629 448 HB2 ASN 55 HB2 ASN 55 -9.459 -17.958 18.834 449 HB3 ASN 55 HB1 ASN 55 -8.230 -19.101 18.295 450 HD21 ASN 55 HD21 ASN 55 -8.193 -18.005 20.945 451 HD22 ASN 55 HD22 ASN 55 -6.826 -17.008 21.086 452 H ASP 56 HN ASP 56 -11.017 -17.784 16.679 453 HA ASP 56 HA ASP 56 -11.040 -20.269 15.338 454 HB2 ASP 56 HB2 ASP 56 -12.990 -19.414 16.549 455 HB3 ASP 56 HB1 ASP 56 -13.142 -18.090 15.394 456 H TYR 57 HN TYR 57 -11.136 -16.933 14.173 457 HA TYR 57 HA TYR 57 -11.666 -17.439 11.468 458 HB2 TYR 57 HB2 TYR 57 -11.653 -15.184 12.589 459 HB3 TYR 57 HB1 TYR 57 -9.890 -15.240 12.545 460 HD1 TYR 57 HD2 TYR 57 -8.675 -15.184 10.398 461 HD2 TYR 57 HD1 TYR 57 -12.958 -14.900 10.564 462 HE1 TYR 57 HE2 TYR 57 -8.715 -14.386 8.049 463 HE2 TYR 57 HE1 TYR 57 -12.997 -14.104 8.217 464 HH TYR 57 HH TYR 57 -11.780 -13.827 6.350 465 H ILE 58 HN ILE 58 -8.616 -17.372 13.267 466 HA ILE 58 HA ILE 58 -6.876 -17.647 11.063 467 HB ILE 58 HB ILE 58 -6.575 -18.496 13.955 468 HG12 ILE 58 HG12 ILE 58 -5.358 -16.165 12.443 469 HG13 ILE 58 HG11 ILE 58 -6.851 -16.037 13.381 470 HG21 ILE 58 HG21 ILE 58 -4.084 -18.435 13.322 471 HG22 ILE 58 HG22 ILE 58 -4.622 -18.500 11.644 472 HG23 ILE 58 HG23 ILE 58 -5.005 -19.824 12.743 473 HD11 ILE 58 HD11 ILE 58 -5.039 -15.338 14.814 474 HD12 ILE 58 HD12 ILE 58 -4.097 -16.772 14.410 475 HD13 ILE 58 HD13 ILE 58 -5.567 -16.924 15.372 476 H ALA 59 HN ALA 59 -8.465 -20.057 13.137 477 HA ALA 59 HA ALA 59 -7.246 -22.352 12.082 478 HB1 ALA 59 HB1 ALA 59 -8.620 -22.371 14.125 479 HB2 ALA 59 HB2 ALA 59 -9.201 -23.563 12.962 480 HB3 ALA 59 HB3 ALA 59 -10.057 -22.034 13.162 481 H GLU 60 HN GLU 60 -10.111 -20.556 11.040 482 HA GLU 60 HA GLU 60 -10.734 -22.385 8.906 483 HB2 GLU 60 HB2 GLU 60 -11.695 -19.576 9.501 484 HB3 GLU 60 HB1 GLU 60 -12.337 -20.599 8.214 485 HG2 GLU 60 HG2 GLU 60 -12.301 -21.357 11.148 486 HG3 GLU 60 HG1 GLU 60 -13.702 -20.695 10.308 487 H HIS 61 HN HIS 61 -8.256 -20.266 9.307 488 HA HIS 61 HA HIS 61 -7.968 -19.827 6.382 489 HB2 HIS 61 HB2 HIS 61 -7.309 -17.947 8.653 490 HB3 HIS 61 HB1 HIS 61 -6.709 -17.737 7.006 491 HD2 HIS 61 HD2 HIS 61 -8.427 -16.169 5.536 492 HE1 HIS 61 HE1 HIS 61 -12.016 -17.107 7.554 493 HE2 HIS 61 HE2 HIS 61 -10.997 -15.724 5.684 494 HA PRO 62 HA PRO 62 -4.363 -22.153 8.328 495 HB2 PRO 62 HB2 PRO 62 -4.437 -24.291 6.571 496 HB3 PRO 62 HB1 PRO 62 -5.318 -24.252 8.113 497 HG2 PRO 62 HG2 PRO 62 -6.317 -23.709 5.351 498 HG3 PRO 62 HG1 PRO 62 -7.095 -24.594 6.674 499 HD2 PRO 62 HD2 PRO 62 -7.770 -22.041 6.045 500 HD3 PRO 62 HD1 PRO 62 -7.844 -22.650 7.711 501 H THR 63 HN THR 63 -5.306 -21.108 5.163 502 HA THR 63 HA THR 63 -2.717 -21.475 3.938 503 HB THR 63 HB THR 63 -4.365 -21.507 2.307 504 HG1 THR 63 HG1 THR 63 -4.238 -18.759 2.164 505 HG21 THR 63 HG21 THR 63 -6.271 -19.807 2.345 506 HG22 THR 63 HG22 THR 63 -5.717 -19.370 3.961 507 HG23 THR 63 HG23 THR 63 -6.281 -21.009 3.636 508 H SER 64 HN SER 64 -4.113 -19.199 6.030 509 HA SER 64 HA SER 64 -3.284 -17.263 6.948 510 HB2 SER 64 HB2 SER 64 -0.805 -17.464 5.260 511 HB3 SER 64 HB1 SER 64 -0.985 -16.872 6.909 512 HG SER 64 HG SER 64 -1.743 -19.239 7.190 513 H GLY 65 HN GLY 65 -3.226 -15.052 6.458 514 HA2 GLY 65 HA2 GLY 65 -2.735 -13.821 4.041 515 HA3 GLY 65 HA1 GLY 65 -4.421 -14.323 3.965 516 H ARG 66 HN ARG 66 -5.918 -13.059 4.886 517 HA ARG 66 HA ARG 66 -5.108 -10.559 6.078 518 HB2 ARG 66 HB2 ARG 66 -7.871 -11.736 5.711 519 HB3 ARG 66 HB1 ARG 66 -7.502 -10.059 6.108 520 HG2 ARG 66 HG2 ARG 66 -6.377 -11.350 3.619 521 HG3 ARG 66 HG1 ARG 66 -7.986 -10.629 3.620 522 HD2 ARG 66 HD2 ARG 66 -6.940 -8.495 4.476 523 HD3 ARG 66 HD1 ARG 66 -5.363 -9.238 4.235 524 HE ARG 66 HE ARG 66 -5.641 -9.031 1.925 525 HH11 ARG 66 HH21 ARG 66 -8.531 -8.271 3.669 526 HH12 ARG 66 HH22 ARG 66 -9.335 -7.574 2.305 527 HH21 ARG 66 HH11 ARG 66 -6.685 -8.116 0.135 528 HH22 ARG 66 HH12 ARG 66 -8.289 -7.486 0.301 529 H ASN 67 HN ASN 67 -5.669 -13.654 7.245 530 HA ASN 67 HA ASN 67 -6.938 -13.113 9.715 531 HB2 ASN 67 HB2 ASN 67 -6.162 -15.309 10.388 532 HB3 ASN 67 HB1 ASN 67 -6.699 -15.381 8.711 533 HD21 ASN 67 HD21 ASN 67 -4.851 -17.302 9.703 534 HD22 ASN 67 HD22 ASN 67 -3.346 -17.041 8.962 535 H GLN 68 HN GLN 68 -3.735 -12.570 8.574 536 HA GLN 68 HA GLN 68 -2.338 -12.614 11.041 537 HB2 GLN 68 HB2 GLN 68 -1.804 -11.155 8.448 538 HB3 GLN 68 HB1 GLN 68 -0.688 -11.153 9.814 539 HG2 GLN 68 HG2 GLN 68 -0.530 -13.593 9.727 540 HG3 GLN 68 HG1 GLN 68 -1.709 -13.643 8.418 541 HE21 GLN 68 HE21 GLN 68 1.598 -13.674 9.009 542 HE22 GLN 68 HE22 GLN 68 2.137 -13.133 7.494 543 H ALA 69 HN ALA 69 -4.229 -10.150 9.386 544 HA ALA 69 HA ALA 69 -3.444 -7.978 11.066 545 HB1 ALA 69 HB1 ALA 69 -5.845 -8.393 9.274 546 HB2 ALA 69 HB2 ALA 69 -4.375 -7.493 8.899 547 HB3 ALA 69 HB3 ALA 69 -5.498 -6.883 10.114 548 H LEU 70 HN LEU 70 -6.102 -10.304 11.116 549 HA LEU 70 HA LEU 70 -7.544 -9.119 13.257 550 HB2 LEU 70 HB2 LEU 70 -7.467 -11.982 12.281 551 HB3 LEU 70 HB1 LEU 70 -8.645 -11.341 13.431 552 HG LEU 70 HG LEU 70 -8.208 -10.244 10.639 553 HD11 LEU 70 HD11 LEU 70 -9.127 -12.426 10.373 554 HD12 LEU 70 HD12 LEU 70 -10.487 -11.311 10.236 555 HD13 LEU 70 HD13 LEU 70 -10.230 -12.206 11.734 556 HD21 LEU 70 HD21 LEU 70 -9.195 -8.471 11.791 557 HD22 LEU 70 HD22 LEU 70 -10.036 -9.529 12.923 558 HD23 LEU 70 HD23 LEU 70 -10.636 -9.342 11.273 559 H THR 71 HN THR 71 -4.958 -11.501 13.110 560 HA THR 71 HA THR 71 -5.009 -12.363 15.778 561 HB THR 71 HB THR 71 -2.501 -12.047 14.131 562 HG1 THR 71 HG1 THR 71 -3.533 -13.245 12.752 563 HG21 THR 71 HG21 THR 71 -2.369 -12.789 16.536 564 HG22 THR 71 HG22 THR 71 -1.766 -13.979 15.383 565 HG23 THR 71 HG23 THR 71 -3.364 -14.178 16.102 566 H GLN 72 HN GLN 72 -3.666 -9.483 14.302 567 HA GLN 72 HA GLN 72 -1.974 -8.662 16.399 568 HB2 GLN 72 HB2 GLN 72 -3.512 -7.088 14.332 569 HB3 GLN 72 HB1 GLN 72 -2.334 -6.364 15.425 570 HG2 GLN 72 HG2 GLN 72 -1.714 -8.678 13.568 571 HG3 GLN 72 HG1 GLN 72 -1.382 -6.991 13.178 572 HE21 GLN 72 HE21 GLN 72 0.278 -9.603 14.108 573 HE22 GLN 72 HE22 GLN 72 1.406 -8.910 15.169 574 H LEU 73 HN LEU 73 -5.429 -8.155 15.837 575 HA LEU 73 HA LEU 73 -5.867 -6.322 17.941 576 HB2 LEU 73 HB2 LEU 73 -7.610 -8.214 16.385 577 HB3 LEU 73 HB1 LEU 73 -8.279 -7.354 17.774 578 HG LEU 73 HG LEU 73 -8.596 -6.158 15.580 579 HD11 LEU 73 HD11 LEU 73 -6.786 -4.330 17.089 580 HD12 LEU 73 HD12 LEU 73 -8.081 -5.066 18.034 581 HD13 LEU 73 HD13 LEU 73 -8.468 -4.113 16.604 582 HD21 LEU 73 HD21 LEU 73 -6.279 -6.948 14.753 583 HD22 LEU 73 HD22 LEU 73 -5.623 -5.614 15.703 584 HD23 LEU 73 HD23 LEU 73 -6.734 -5.284 14.375 585 H LYS 74 HN LYS 74 -5.948 -9.848 17.811 586 HA LYS 74 HA LYS 74 -6.970 -10.303 20.376 587 HB2 LYS 74 HB2 LYS 74 -6.761 -12.067 18.725 588 HB3 LYS 74 HB1 LYS 74 -5.004 -11.924 18.757 589 HG2 LYS 74 HG2 LYS 74 -6.227 -12.336 21.438 590 HG3 LYS 74 HG1 LYS 74 -6.455 -13.689 20.336 591 HD2 LYS 74 HD2 LYS 74 -3.723 -12.451 20.627 592 HD3 LYS 74 HD1 LYS 74 -4.301 -13.590 21.846 593 HE2 LYS 74 HE2 LYS 74 -2.982 -14.476 19.724 594 HE3 LYS 74 HE1 LYS 74 -4.363 -15.376 20.355 595 HZ1 LYS 74 HZ1 LYS 74 -4.880 -15.219 18.139 596 HZ2 LYS 74 HZ2 LYS 74 -4.193 -13.675 17.960 597 HZ3 LYS 74 HZ3 LYS 74 -5.689 -13.857 18.744 598 H GLU 75 HN GLU 75 -3.578 -10.092 19.283 599 HA GLU 75 HA GLU 75 -2.471 -10.364 21.896 600 HB2 GLU 75 HB2 GLU 75 -1.312 -9.260 19.330 601 HB3 GLU 75 HB1 GLU 75 -0.382 -9.514 20.808 602 HG2 GLU 75 HG2 GLU 75 -0.966 -11.904 20.781 603 HG3 GLU 75 HG1 GLU 75 -1.919 -11.662 19.318 604 H GLN 76 HN GLN 76 -3.315 -7.598 19.860 605 HA GLN 76 HA GLN 76 -2.184 -5.595 21.502 606 HB2 GLN 76 HB2 GLN 76 -2.933 -5.299 19.120 607 HB3 GLN 76 HB1 GLN 76 -4.597 -5.311 19.704 608 HG2 GLN 76 HG2 GLN 76 -4.235 -3.342 21.033 609 HG3 GLN 76 HG1 GLN 76 -2.495 -3.403 20.754 610 HE21 GLN 76 HE21 GLN 76 -5.444 -3.453 18.649 611 HE22 GLN 76 HE22 GLN 76 -4.847 -2.295 17.561 612 H VAL 77 HN VAL 77 -5.552 -6.776 21.262 613 HA VAL 77 HA VAL 77 -6.605 -5.164 23.303 614 HB VAL 77 HB VAL 77 -7.442 -7.878 22.260 615 HG11 VAL 77 HG11 VAL 77 -8.405 -7.756 24.426 616 HG12 VAL 77 HG12 VAL 77 -9.676 -7.197 23.339 617 HG13 VAL 77 HG13 VAL 77 -8.736 -6.032 24.273 618 HG21 VAL 77 HG21 VAL 77 -7.479 -5.792 20.770 619 HG22 VAL 77 HG22 VAL 77 -8.729 -5.173 21.849 620 HG23 VAL 77 HG23 VAL 77 -9.006 -6.657 20.937 621 H THR 78 HN THR 78 -5.324 -8.489 23.407 622 HA THR 78 HA THR 78 -5.745 -8.909 26.164 623 HB THR 78 HB THR 78 -3.926 -10.657 25.882 624 HG1 THR 78 HG1 THR 78 -2.880 -10.733 24.051 625 HG21 THR 78 HG21 THR 78 -6.254 -11.249 25.576 626 HG22 THR 78 HG22 THR 78 -5.317 -12.012 24.292 627 HG23 THR 78 HG23 THR 78 -6.260 -10.560 23.953 628 H SER 79 HN SER 79 -2.979 -7.628 24.366 629 HA SER 79 HA SER 79 -1.210 -7.401 26.557 630 HB2 SER 79 HB2 SER 79 -1.364 -5.948 23.916 631 HB3 SER 79 HB1 SER 79 -0.078 -5.666 25.087 632 HG SER 79 HG SER 79 -0.470 -8.303 24.740 633 H ALA 80 HN ALA 80 -3.690 -5.262 25.257 634 HA ALA 80 HA ALA 80 -3.059 -2.916 26.627 635 HB1 ALA 80 HB1 ALA 80 -4.773 -3.024 24.874 636 HB2 ALA 80 HB2 ALA 80 -5.430 -2.322 26.353 637 HB3 ALA 80 HB3 ALA 80 -5.797 -3.994 25.932 638 H LEU 81 HN LEU 81 -5.106 -5.630 27.645 639 HA LEU 81 HA LEU 81 -5.785 -4.536 30.178 640 HB2 LEU 81 HB2 LEU 81 -5.689 -7.426 29.286 641 HB3 LEU 81 HB1 LEU 81 -6.522 -6.814 30.718 642 HG LEU 81 HG LEU 81 -7.102 -5.932 27.875 643 HD11 LEU 81 HD11 LEU 81 -7.862 -8.187 28.037 644 HD12 LEU 81 HD12 LEU 81 -9.291 -7.209 28.365 645 HD13 LEU 81 HD13 LEU 81 -8.417 -7.963 29.696 646 HD21 LEU 81 HD21 LEU 81 -8.222 -5.198 30.582 647 HD22 LEU 81 HD22 LEU 81 -9.277 -5.151 29.168 648 HD23 LEU 81 HD23 LEU 81 -7.830 -4.148 29.218 649 H GLY 82 HN GLY 82 -3.057 -6.367 28.997 650 HA2 GLY 82 HA2 GLY 82 -0.954 -6.555 29.987 651 HA3 GLY 82 HA1 GLY 82 -1.604 -5.841 31.460 652 H LEU 83 HN LEU 83 -3.433 -8.407 30.105 653 HA LEU 83 HA LEU 83 -3.191 -10.026 32.415 654 HB2 LEU 83 HB2 LEU 83 -4.257 -10.601 29.648 655 HB3 LEU 83 HB1 LEU 83 -4.376 -11.743 30.989 656 HG LEU 83 HG LEU 83 -5.410 -8.896 31.121 657 HD11 LEU 83 HD11 LEU 83 -6.855 -11.457 30.392 658 HD12 LEU 83 HD12 LEU 83 -6.666 -10.017 29.392 659 HD13 LEU 83 HD13 LEU 83 -7.673 -9.959 30.837 660 HD21 LEU 83 HD21 LEU 83 -5.526 -11.296 32.946 661 HD22 LEU 83 HD22 LEU 83 -6.868 -10.150 32.957 662 HD23 LEU 83 HD23 LEU 83 -5.242 -9.602 33.347 663 H GLU 84 HN GLU 84 -1.724 -10.204 29.208 664 HA GLU 84 HA GLU 84 0.070 -11.392 28.413 665 HB2 GLU 84 HB2 GLU 84 1.157 -10.230 30.371 666 HB3 GLU 84 HB1 GLU 84 0.848 -11.681 31.324 667 HG2 GLU 84 HG2 GLU 84 3.091 -11.859 30.481 668 HG3 GLU 84 HG1 GLU 84 2.104 -12.993 29.560 669 H HIS 85 HN HIS 85 0.683 -13.506 27.960 670 HA HIS 85 HA HIS 85 0.416 -15.780 27.803 671 HB2 HIS 85 HB2 HIS 85 1.368 -15.602 30.139 672 HB3 HIS 85 HB1 HIS 85 -0.289 -15.671 30.741 673 HD2 HIS 85 HD2 HIS 85 2.439 -18.081 29.423 674 HE1 HIS 85 HE1 HIS 85 -1.106 -20.336 29.836 675 HE2 HIS 85 HE2 HIS 85 1.393 -20.474 29.409 676 H HIS 86 HN HIS 86 -1.176 -17.315 27.418 677 HA HIS 86 HA HIS 86 -3.783 -16.387 26.971 678 HB2 HIS 86 HB2 HIS 86 -2.847 -18.305 25.776 679 HB3 HIS 86 HB1 HIS 86 -2.804 -19.237 27.273 680 HD2 HIS 86 HD2 HIS 86 -5.340 -18.256 24.505 681 HE1 HIS 86 HE1 HIS 86 -7.512 -20.252 27.526 682 HE2 HIS 86 HE2 HIS 86 -7.629 -19.328 25.165 683 H HIS 87 HN HIS 87 -3.398 -19.252 28.963 684 HA HIS 87 HA HIS 87 -4.626 -19.938 30.788 685 HB2 HIS 87 HB2 HIS 87 -2.719 -18.395 31.649 686 HB3 HIS 87 HB1 HIS 87 -4.003 -17.223 31.944 687 HD2 HIS 87 HD2 HIS 87 -5.939 -20.152 32.753 688 HE1 HIS 87 HE1 HIS 87 -3.579 -19.730 36.228 689 HE2 HIS 87 HE2 HIS 87 -5.638 -20.850 35.251 690 H HIS 88 HN HIS 88 -5.898 -18.009 32.671 691 HA HIS 88 HA HIS 88 -8.100 -17.411 33.057 692 HB2 HIS 88 HB2 HIS 88 -7.341 -15.821 30.602 693 HB3 HIS 88 HB1 HIS 88 -8.836 -15.553 31.498 694 HD2 HIS 88 HD2 HIS 88 -8.530 -14.098 33.867 695 HE1 HIS 88 HE1 HIS 88 -4.313 -13.909 33.835 696 HE2 HIS 88 HE2 HIS 88 -6.412 -13.082 35.003 697 H HIS 89 HN HIS 89 -8.138 -19.879 31.967 698 HA HIS 89 HA HIS 89 -9.514 -20.213 29.544 699 HB2 HIS 89 HB2 HIS 89 -8.409 -22.065 30.720 700 HB3 HIS 89 HB1 HIS 89 -9.593 -21.951 32.023 701 HD2 HIS 89 HD2 HIS 89 -11.967 -23.322 31.534 702 HE1 HIS 89 HE1 HIS 89 -11.277 -24.191 27.460 703 HE2 HIS 89 HE2 HIS 89 -12.836 -24.592 29.424 704 H HIS 90 HN HIS 90 -10.728 -19.893 32.870 705 HA HIS 90 HA HIS 90 -13.488 -20.071 32.071 706 HB2 HIS 90 HB2 HIS 90 -12.796 -20.774 34.310 707 HB3 HIS 90 HB1 HIS 90 -12.232 -19.141 34.665 708 HD2 HIS 90 HD2 HIS 90 -14.208 -17.476 35.671 709 HE1 HIS 90 HE1 HIS 90 -17.543 -19.854 34.647 710 HE2 HIS 90 HE2 HIS 90 -16.800 -17.746 35.852 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -7.911 7.367 25.735 2 H2 MET 1 HT2 MET 1 -9.150 6.389 25.105 3 H3 MET 1 HT3 MET 1 -9.017 8.012 24.622 4 HA MET 1 HA MET 1 -7.426 7.599 23.121 5 HB2 MET 1 HB2 MET 1 -5.720 5.721 23.578 6 HB3 MET 1 HB1 MET 1 -5.668 7.127 24.642 7 HG2 MET 1 HG2 MET 1 -6.942 5.953 26.346 8 HG3 MET 1 HG1 MET 1 -7.183 4.577 25.270 9 HE1 MET 1 HE1 MET 1 -3.723 6.713 25.863 10 HE2 MET 1 HE2 MET 1 -3.421 5.961 27.427 11 HE3 MET 1 HE3 MET 1 -4.934 6.818 27.148 12 H GLY 2 HN GLY 2 -6.568 5.311 21.955 13 HA2 GLY 2 HA2 GLY 2 -8.719 3.349 21.844 14 HA3 GLY 2 HA1 GLY 2 -8.532 4.344 20.403 15 H GLN 3 HN GLN 3 -6.808 2.125 22.560 16 HA GLN 3 HA GLN 3 -4.610 1.757 20.727 17 HB2 GLN 3 HB2 GLN 3 -5.423 0.182 23.184 18 HB3 GLN 3 HB1 GLN 3 -3.896 0.013 22.318 19 HG2 GLN 3 HG2 GLN 3 -4.874 2.596 23.563 20 HG3 GLN 3 HG1 GLN 3 -3.724 1.498 24.326 21 HE21 GLN 3 HE21 GLN 3 -3.698 4.348 22.768 22 HE22 GLN 3 HE22 GLN 3 -2.239 4.227 21.910 23 H ILE 4 HN ILE 4 -7.773 0.632 20.868 24 HA ILE 4 HA ILE 4 -7.232 -1.979 19.682 25 HB ILE 4 HB ILE 4 -9.809 -0.594 20.303 26 HG12 ILE 4 HG12 ILE 4 -8.500 -2.944 21.683 27 HG13 ILE 4 HG11 ILE 4 -8.321 -1.281 22.241 28 HG21 ILE 4 HG21 ILE 4 -9.161 -3.355 19.259 29 HG22 ILE 4 HG22 ILE 4 -10.222 -2.151 18.529 30 HG23 ILE 4 HG23 ILE 4 -10.706 -2.965 20.016 31 HD11 ILE 4 HD11 ILE 4 -10.133 -2.365 23.466 32 HD12 ILE 4 HD12 ILE 4 -10.930 -2.799 21.954 33 HD13 ILE 4 HD13 ILE 4 -10.796 -1.105 22.426 34 H PHE 5 HN PHE 5 -7.506 -2.507 17.568 35 HA PHE 5 HA PHE 5 -7.309 -0.525 15.592 36 HB2 PHE 5 HB2 PHE 5 -8.121 -3.431 15.456 37 HB3 PHE 5 HB1 PHE 5 -7.937 -2.425 14.019 38 HD1 PHE 5 HD1 PHE 5 -5.706 -1.236 13.641 39 HD2 PHE 5 HD2 PHE 5 -6.225 -4.387 16.514 40 HE1 PHE 5 HE1 PHE 5 -3.252 -1.592 13.693 41 HE2 PHE 5 HE2 PHE 5 -3.771 -4.742 16.567 42 HZ PHE 5 HZ PHE 5 -2.285 -3.344 15.157 43 H THR 6 HN THR 6 -8.764 0.596 14.425 44 HA THR 6 HA THR 6 -11.492 0.680 15.299 45 HB THR 6 HB THR 6 -10.395 1.963 12.799 46 HG1 THR 6 HG1 THR 6 -10.027 2.588 15.516 47 HG21 THR 6 HG21 THR 6 -12.466 2.912 14.792 48 HG22 THR 6 HG22 THR 6 -12.866 2.014 13.330 49 HG23 THR 6 HG23 THR 6 -12.111 3.603 13.208 50 H VAL 7 HN VAL 7 -13.349 0.102 14.165 51 HA VAL 7 HA VAL 7 -13.215 -2.269 12.642 52 HB VAL 7 HB VAL 7 -15.434 -0.268 13.093 53 HG11 VAL 7 HG11 VAL 7 -15.398 -2.839 11.499 54 HG12 VAL 7 HG12 VAL 7 -16.014 -1.258 11.016 55 HG13 VAL 7 HG13 VAL 7 -16.885 -2.215 12.214 56 HG21 VAL 7 HG21 VAL 7 -16.322 -2.136 14.490 57 HG22 VAL 7 HG22 VAL 7 -14.749 -1.568 15.054 58 HG23 VAL 7 HG23 VAL 7 -14.868 -3.065 14.128 59 H GLN 8 HN GLN 8 -13.767 1.108 11.693 60 HA GLN 8 HA GLN 8 -14.251 0.716 8.976 61 HB2 GLN 8 HB2 GLN 8 -12.861 3.001 10.390 62 HB3 GLN 8 HB1 GLN 8 -13.382 3.049 8.706 63 HG2 GLN 8 HG2 GLN 8 -15.244 2.446 11.017 64 HG3 GLN 8 HG1 GLN 8 -15.032 4.057 10.332 65 HE21 GLN 8 HE21 GLN 8 -17.133 1.540 10.201 66 HE22 GLN 8 HE22 GLN 8 -17.663 1.677 8.594 67 H GLU 9 HN GLU 9 -11.190 0.995 10.729 68 HA GLU 9 HA GLU 9 -9.534 0.979 8.418 69 HB2 GLU 9 HB2 GLU 9 -8.879 1.741 10.753 70 HB3 GLU 9 HB1 GLU 9 -8.749 0.035 11.178 71 HG2 GLU 9 HG2 GLU 9 -7.286 1.214 8.805 72 HG3 GLU 9 HG1 GLU 9 -6.585 1.181 10.422 73 H LEU 10 HN LEU 10 -10.789 -1.539 10.542 74 HA LEU 10 HA LEU 10 -9.280 -3.682 9.453 75 HB2 LEU 10 HB2 LEU 10 -11.889 -3.597 10.967 76 HB3 LEU 10 HB1 LEU 10 -11.106 -5.103 10.489 77 HG LEU 10 HG LEU 10 -9.712 -2.940 12.092 78 HD11 LEU 10 HD11 LEU 10 -10.104 -4.439 14.054 79 HD12 LEU 10 HD12 LEU 10 -11.168 -5.420 13.045 80 HD13 LEU 10 HD13 LEU 10 -11.587 -3.744 13.401 81 HD21 LEU 10 HD21 LEU 10 -8.376 -5.157 12.724 82 HD22 LEU 10 HD22 LEU 10 -8.003 -4.286 11.242 83 HD23 LEU 10 HD23 LEU 10 -9.016 -5.728 11.182 84 H LYS 11 HN LYS 11 -12.342 -2.208 8.594 85 HA LYS 11 HA LYS 11 -13.293 -4.175 6.838 86 HB2 LYS 11 HB2 LYS 11 -13.681 -1.191 6.965 87 HB3 LYS 11 HB1 LYS 11 -14.456 -2.168 5.717 88 HG2 LYS 11 HG2 LYS 11 -15.461 -3.587 7.505 89 HG3 LYS 11 HG1 LYS 11 -14.752 -2.517 8.715 90 HD2 LYS 11 HD2 LYS 11 -16.039 -0.637 7.902 91 HD3 LYS 11 HD1 LYS 11 -16.635 -1.581 6.536 92 HE2 LYS 11 HE2 LYS 11 -17.125 -2.457 9.383 93 HE3 LYS 11 HE1 LYS 11 -18.211 -1.337 8.563 94 HZ1 LYS 11 HZ1 LYS 11 -17.579 -4.137 7.869 95 HZ2 LYS 11 HZ2 LYS 11 -18.227 -3.071 6.716 96 HZ3 LYS 11 HZ3 LYS 11 -19.097 -3.428 8.130 97 H GLU 12 HN GLU 12 -11.072 -1.469 6.296 98 HA GLU 12 HA GLU 12 -10.889 -1.638 3.508 99 HB2 GLU 12 HB2 GLU 12 -9.934 0.199 4.878 100 HB3 GLU 12 HB1 GLU 12 -8.692 -0.910 5.460 101 HG2 GLU 12 HG2 GLU 12 -7.895 -1.253 3.160 102 HG3 GLU 12 HG1 GLU 12 -9.158 -0.184 2.554 103 H ARG 13 HN ARG 13 -8.697 -3.077 5.939 104 HA ARG 13 HA ARG 13 -7.270 -4.633 4.018 105 HB2 ARG 13 HB2 ARG 13 -7.453 -4.794 7.030 106 HB3 ARG 13 HB1 ARG 13 -6.383 -5.808 6.062 107 HG2 ARG 13 HG2 ARG 13 -5.246 -3.845 5.177 108 HG3 ARG 13 HG1 ARG 13 -6.376 -2.775 6.008 109 HD2 ARG 13 HD2 ARG 13 -4.326 -2.920 7.312 110 HD3 ARG 13 HD1 ARG 13 -5.621 -3.735 8.185 111 HE ARG 13 HE ARG 13 -4.216 -5.594 6.553 112 HH11 ARG 13 HH21 ARG 13 -3.965 -3.686 9.429 113 HH12 ARG 13 HH22 ARG 13 -2.870 -4.770 10.219 114 HH21 ARG 13 HH11 ARG 13 -2.779 -7.021 7.583 115 HH22 ARG 13 HH12 ARG 13 -2.199 -6.658 9.174 116 H ALA 14 HN ALA 14 -9.982 -5.265 6.176 117 HA ALA 14 HA ALA 14 -10.095 -8.077 5.650 118 HB1 ALA 14 HB1 ALA 14 -12.268 -6.265 6.719 119 HB2 ALA 14 HB2 ALA 14 -11.026 -7.036 7.707 120 HB3 ALA 14 HB3 ALA 14 -12.207 -8.022 6.845 121 H LYS 15 HN LYS 15 -10.844 -5.398 3.785 122 HA LYS 15 HA LYS 15 -13.221 -6.198 2.492 123 HB2 LYS 15 HB2 LYS 15 -12.235 -3.928 2.301 124 HB3 LYS 15 HB1 LYS 15 -10.928 -4.602 1.333 125 HG2 LYS 15 HG2 LYS 15 -12.527 -5.348 -0.357 126 HG3 LYS 15 HG1 LYS 15 -13.868 -4.767 0.631 127 HD2 LYS 15 HD2 LYS 15 -12.968 -2.465 0.485 128 HD3 LYS 15 HD1 LYS 15 -11.652 -3.055 -0.531 129 HE2 LYS 15 HE2 LYS 15 -13.270 -3.825 -2.206 130 HE3 LYS 15 HE1 LYS 15 -14.599 -3.273 -1.187 131 HZ1 LYS 15 HZ1 LYS 15 -14.366 -1.236 -1.989 132 HZ2 LYS 15 HZ2 LYS 15 -13.164 -1.796 -3.052 133 HZ3 LYS 15 HZ3 LYS 15 -12.736 -1.187 -1.525 134 H VAL 16 HN VAL 16 -9.797 -6.730 1.638 135 HA VAL 16 HA VAL 16 -8.946 -7.953 -0.192 136 HB VAL 16 HB VAL 16 -9.501 -10.466 0.380 137 HG11 VAL 16 HG11 VAL 16 -8.111 -8.531 2.254 138 HG12 VAL 16 HG12 VAL 16 -7.380 -9.458 0.945 139 HG13 VAL 16 HG13 VAL 16 -7.978 -10.285 2.383 140 HG21 VAL 16 HG21 VAL 16 -10.461 -10.817 2.552 141 HG22 VAL 16 HG22 VAL 16 -11.562 -9.726 1.706 142 HG23 VAL 16 HG23 VAL 16 -10.437 -9.092 2.905 143 H PHE 17 HN PHE 17 -11.388 -10.339 0.070 144 HA PHE 17 HA PHE 17 -12.332 -9.710 -2.652 145 HB2 PHE 17 HB2 PHE 17 -13.120 -12.011 -2.707 146 HB3 PHE 17 HB1 PHE 17 -11.423 -11.973 -2.229 147 HD1 PHE 17 HD2 PHE 17 -10.753 -12.417 0.096 148 HD2 PHE 17 HD1 PHE 17 -14.863 -12.621 -1.126 149 HE1 PHE 17 HE2 PHE 17 -11.317 -13.610 2.195 150 HE2 PHE 17 HE1 PHE 17 -15.429 -13.814 0.973 151 HZ PHE 17 HZ PHE 17 -13.656 -14.309 2.634 152 H ALA 18 HN ALA 18 -14.457 -9.358 -3.109 153 HA ALA 18 HA ALA 18 -16.121 -8.097 -1.319 154 HB1 ALA 18 HB1 ALA 18 -16.850 -9.734 -3.755 155 HB2 ALA 18 HB2 ALA 18 -16.571 -7.994 -3.684 156 HB3 ALA 18 HB3 ALA 18 -17.984 -8.693 -2.894 157 H LYS 19 HN LYS 19 -17.352 -8.699 0.341 158 HA LYS 19 HA LYS 19 -17.777 -11.582 0.749 159 HB2 LYS 19 HB2 LYS 19 -17.764 -9.356 2.782 160 HB3 LYS 19 HB1 LYS 19 -18.013 -11.070 3.118 161 HG2 LYS 19 HG2 LYS 19 -15.676 -11.161 1.643 162 HG3 LYS 19 HG1 LYS 19 -15.491 -9.629 2.498 163 HD2 LYS 19 HD2 LYS 19 -16.129 -10.917 4.616 164 HD3 LYS 19 HD1 LYS 19 -15.894 -12.382 3.661 165 HE2 LYS 19 HE2 LYS 19 -13.868 -10.323 4.488 166 HE3 LYS 19 HE1 LYS 19 -13.766 -12.083 4.583 167 HZ1 LYS 19 HZ1 LYS 19 -12.507 -11.777 2.752 168 HZ2 LYS 19 HZ2 LYS 19 -13.245 -10.305 2.337 169 HZ3 LYS 19 HZ3 LYS 19 -14.012 -11.776 1.970 170 HA PRO 20 HA PRO 20 -22.166 -11.274 0.242 171 HB2 PRO 20 HB2 PRO 20 -22.364 -12.661 2.894 172 HB3 PRO 20 HB1 PRO 20 -23.113 -13.089 1.343 173 HG2 PRO 20 HG2 PRO 20 -20.996 -14.417 2.313 174 HG3 PRO 20 HG1 PRO 20 -21.226 -14.149 0.575 175 HD2 PRO 20 HD2 PRO 20 -19.285 -12.867 2.429 176 HD3 PRO 20 HD1 PRO 20 -19.182 -13.148 0.678 177 H ILE 21 HN ILE 21 -23.722 -9.805 0.779 178 HA ILE 21 HA ILE 21 -23.138 -7.865 2.837 179 HB ILE 21 HB ILE 21 -25.215 -6.770 2.013 180 HG12 ILE 21 HG12 ILE 21 -25.288 -9.115 0.084 181 HG13 ILE 21 HG11 ILE 21 -26.408 -8.888 1.430 182 HG21 ILE 21 HG21 ILE 21 -24.339 -6.245 -0.218 183 HG22 ILE 21 HG22 ILE 21 -23.320 -7.684 -0.174 184 HG23 ILE 21 HG23 ILE 21 -23.015 -6.353 0.943 185 HD11 ILE 21 HD11 ILE 21 -27.433 -8.047 -0.617 186 HD12 ILE 21 HD12 ILE 21 -26.033 -7.020 -0.927 187 HD13 ILE 21 HD13 ILE 21 -27.078 -6.693 0.457 188 H GLY 22 HN GLY 22 -24.301 -7.465 4.699 189 HA2 GLY 22 HA2 GLY 22 -25.436 -8.070 6.611 190 HA3 GLY 22 HA1 GLY 22 -26.732 -8.495 5.498 191 H ALA 23 HN ALA 23 -24.372 -9.672 7.661 192 HA ALA 23 HA ALA 23 -25.403 -12.355 7.469 193 HB1 ALA 23 HB1 ALA 23 -22.599 -11.729 6.540 194 HB2 ALA 23 HB2 ALA 23 -23.864 -12.593 5.665 195 HB3 ALA 23 HB3 ALA 23 -23.093 -13.338 7.065 196 H SER 24 HN SER 24 -24.075 -13.829 8.990 197 HA SER 24 HA SER 24 -23.972 -12.537 11.543 198 HB2 SER 24 HB2 SER 24 -24.704 -14.907 11.184 199 HB3 SER 24 HB1 SER 24 -23.032 -15.320 10.814 200 HG SER 24 HG SER 24 -22.987 -13.931 13.040 201 H TYR 25 HN TYR 25 -21.713 -13.005 9.043 202 HA TYR 25 HA TYR 25 -19.323 -13.204 10.577 203 HB2 TYR 25 HB2 TYR 25 -19.402 -13.824 8.202 204 HB3 TYR 25 HB1 TYR 25 -19.741 -12.147 7.771 205 HD1 TYR 25 HD2 TYR 25 -17.215 -14.412 9.287 206 HD2 TYR 25 HD1 TYR 25 -18.002 -10.505 7.686 207 HE1 TYR 25 HE2 TYR 25 -14.784 -13.919 9.295 208 HE2 TYR 25 HE1 TYR 25 -15.572 -10.013 7.693 209 HH TYR 25 HH TYR 25 -13.475 -11.136 9.281 210 H GLN 26 HN GLN 26 -21.255 -10.513 9.387 211 HA GLN 26 HA GLN 26 -19.418 -8.428 9.816 212 HB2 GLN 26 HB2 GLN 26 -21.677 -8.326 8.626 213 HB3 GLN 26 HB1 GLN 26 -22.398 -8.192 10.230 214 HG2 GLN 26 HG2 GLN 26 -22.078 -5.951 9.437 215 HG3 GLN 26 HG1 GLN 26 -20.834 -6.239 10.652 216 HE21 GLN 26 HE21 GLN 26 -20.831 -7.450 7.281 217 HE22 GLN 26 HE22 GLN 26 -19.435 -6.604 6.816 218 H GLY 27 HN GLY 27 -21.259 -10.344 12.024 219 HA2 GLY 27 HA2 GLY 27 -21.384 -8.583 14.232 220 HA3 GLY 27 HA1 GLY 27 -21.447 -10.340 14.318 221 H ILE 28 HN ILE 28 -18.763 -10.304 12.816 222 HA ILE 28 HA ILE 28 -17.112 -10.619 15.099 223 HB ILE 28 HB ILE 28 -16.816 -11.741 12.845 224 HG12 ILE 28 HG12 ILE 28 -14.367 -10.276 13.878 225 HG13 ILE 28 HG11 ILE 28 -15.080 -11.673 14.685 226 HG21 ILE 28 HG21 ILE 28 -16.966 -9.324 11.725 227 HG22 ILE 28 HG22 ILE 28 -15.959 -10.582 11.011 228 HG23 ILE 28 HG23 ILE 28 -15.226 -9.329 12.010 229 HD11 ILE 28 HD11 ILE 28 -13.248 -12.407 13.238 230 HD12 ILE 28 HD12 ILE 28 -13.995 -11.605 11.855 231 HD13 ILE 28 HD13 ILE 28 -14.784 -12.996 12.599 232 H LEU 29 HN LEU 29 -17.904 -7.903 13.104 233 HA LEU 29 HA LEU 29 -15.652 -6.306 14.093 234 HB2 LEU 29 HB2 LEU 29 -17.873 -5.722 12.132 235 HB3 LEU 29 HB1 LEU 29 -16.673 -4.531 12.629 236 HG LEU 29 HG LEU 29 -15.972 -7.224 11.441 237 HD11 LEU 29 HD11 LEU 29 -16.353 -4.533 10.136 238 HD12 LEU 29 HD12 LEU 29 -17.109 -6.067 9.706 239 HD13 LEU 29 HD13 LEU 29 -15.391 -5.812 9.399 240 HD21 LEU 29 HD21 LEU 29 -14.021 -6.530 12.504 241 HD22 LEU 29 HD22 LEU 29 -14.408 -4.818 12.338 242 HD23 LEU 29 HD23 LEU 29 -13.814 -5.729 10.949 243 H ASP 30 HN ASP 30 -19.088 -6.720 14.528 244 HA ASP 30 HA ASP 30 -19.649 -4.314 15.885 245 HB2 ASP 30 HB2 ASP 30 -21.339 -5.947 14.988 246 HB3 ASP 30 HB1 ASP 30 -20.977 -6.983 16.368 247 H GLN 31 HN GLN 31 -18.332 -7.383 16.986 248 HA GLN 31 HA GLN 31 -18.604 -6.964 19.764 249 HB2 GLN 31 HB2 GLN 31 -16.989 -8.740 20.023 250 HB3 GLN 31 HB1 GLN 31 -18.029 -9.140 18.653 251 HG2 GLN 31 HG2 GLN 31 -16.201 -7.896 17.239 252 HG3 GLN 31 HG1 GLN 31 -15.174 -8.184 18.637 253 HE21 GLN 31 HE21 GLN 31 -14.369 -9.479 16.356 254 HE22 GLN 31 HE22 GLN 31 -14.742 -11.133 16.434 255 H LEU 32 HN LEU 32 -16.109 -6.005 17.451 256 HA LEU 32 HA LEU 32 -14.176 -5.142 19.306 257 HB2 LEU 32 HB2 LEU 32 -14.802 -4.487 16.444 258 HB3 LEU 32 HB1 LEU 32 -13.579 -3.539 17.289 259 HG LEU 32 HG LEU 32 -13.456 -6.551 17.426 260 HD11 LEU 32 HD11 LEU 32 -11.828 -6.271 15.391 261 HD12 LEU 32 HD12 LEU 32 -12.771 -4.818 15.063 262 HD13 LEU 32 HD13 LEU 32 -13.561 -6.391 15.093 263 HD21 LEU 32 HD21 LEU 32 -11.980 -4.873 18.744 264 HD22 LEU 32 HD22 LEU 32 -11.213 -4.532 17.194 265 HD23 LEU 32 HD23 LEU 32 -11.152 -6.159 17.870 266 H ASP 33 HN ASP 33 -16.876 -3.430 17.790 267 HA ASP 33 HA ASP 33 -16.316 -0.889 18.896 268 HB2 ASP 33 HB2 ASP 33 -18.862 -2.165 17.894 269 HB3 ASP 33 HB1 ASP 33 -18.797 -0.502 18.474 270 H LEU 34 HN LEU 34 -18.059 -3.696 20.080 271 HA LEU 34 HA LEU 34 -19.289 -2.464 22.299 272 HB2 LEU 34 HB2 LEU 34 -19.905 -4.714 21.382 273 HB3 LEU 34 HB1 LEU 34 -18.410 -5.353 22.069 274 HG LEU 34 HG LEU 34 -19.158 -4.566 24.321 275 HD11 LEU 34 HD11 LEU 34 -21.492 -3.612 22.690 276 HD12 LEU 34 HD12 LEU 34 -20.697 -2.848 24.066 277 HD13 LEU 34 HD13 LEU 34 -21.801 -4.194 24.328 278 HD21 LEU 34 HD21 LEU 34 -20.884 -6.318 24.619 279 HD22 LEU 34 HD22 LEU 34 -19.538 -6.889 23.633 280 HD23 LEU 34 HD23 LEU 34 -21.060 -6.427 22.869 281 H VAL 35 HN VAL 35 -16.129 -3.949 21.832 282 HA VAL 35 HA VAL 35 -15.292 -4.098 24.498 283 HB VAL 35 HB VAL 35 -13.692 -3.555 21.984 284 HG11 VAL 35 HG11 VAL 35 -11.786 -4.468 23.386 285 HG12 VAL 35 HG12 VAL 35 -12.833 -4.290 24.795 286 HG13 VAL 35 HG13 VAL 35 -12.353 -2.869 23.869 287 HG21 VAL 35 HG21 VAL 35 -15.078 -5.729 22.286 288 HG22 VAL 35 HG22 VAL 35 -13.903 -6.141 23.532 289 HG23 VAL 35 HG23 VAL 35 -13.375 -5.897 21.867 290 H HIS 36 HN HIS 36 -15.581 -1.375 22.335 291 HA HIS 36 HA HIS 36 -13.983 0.400 23.970 292 HB2 HIS 36 HB2 HIS 36 -14.118 0.753 21.552 293 HB3 HIS 36 HB1 HIS 36 -15.865 0.969 21.669 294 HD2 HIS 36 HD2 HIS 36 -16.616 3.588 22.165 295 HE1 HIS 36 HE1 HIS 36 -12.869 5.035 23.466 296 HE2 HIS 36 HE2 HIS 36 -15.262 5.689 22.922 297 H GLN 37 HN GLN 37 -17.444 -0.078 23.302 298 HA GLN 37 HA GLN 37 -18.197 1.938 25.256 299 HB2 GLN 37 HB2 GLN 37 -19.432 1.367 23.051 300 HB3 GLN 37 HB1 GLN 37 -20.080 -0.014 23.936 301 HG2 GLN 37 HG2 GLN 37 -21.668 1.781 24.173 302 HG3 GLN 37 HG1 GLN 37 -20.844 1.617 25.722 303 HE21 GLN 37 HE21 GLN 37 -20.862 3.792 26.445 304 HE22 GLN 37 HE22 GLN 37 -20.154 5.070 25.581 305 H ALA 38 HN ALA 38 -17.271 -1.276 25.375 306 HA ALA 38 HA ALA 38 -19.070 -2.266 27.358 307 HB1 ALA 38 HB1 ALA 38 -17.129 -3.936 27.727 308 HB2 ALA 38 HB2 ALA 38 -16.362 -3.123 26.362 309 HB3 ALA 38 HB3 ALA 38 -17.917 -3.923 26.152 310 H LYS 39 HN LYS 39 -18.831 -2.400 29.576 311 HA LYS 39 HA LYS 39 -17.368 -0.276 30.833 312 HB2 LYS 39 HB2 LYS 39 -18.707 -2.634 32.164 313 HB3 LYS 39 HB1 LYS 39 -18.325 -1.069 32.883 314 HG2 LYS 39 HG2 LYS 39 -20.466 -0.477 32.307 315 HG3 LYS 39 HG1 LYS 39 -19.836 -0.320 30.669 316 HD2 LYS 39 HD2 LYS 39 -21.667 -1.760 30.378 317 HD3 LYS 39 HD1 LYS 39 -20.310 -2.885 30.493 318 HE2 LYS 39 HE2 LYS 39 -21.852 -3.821 31.994 319 HE3 LYS 39 HE1 LYS 39 -20.849 -2.845 33.069 320 HZ1 LYS 39 HZ1 LYS 39 -23.285 -1.758 31.798 321 HZ2 LYS 39 HZ2 LYS 39 -22.445 -1.168 33.151 322 HZ3 LYS 39 HZ3 LYS 39 -23.352 -2.600 33.268 323 H GLY 40 HN GLY 40 -15.840 -0.610 32.606 324 HA2 GLY 40 HA2 GLY 40 -13.523 -1.862 31.939 325 HA3 GLY 40 HA1 GLY 40 -14.009 -1.611 33.613 326 H ARG 41 HN ARG 41 -15.894 -3.300 34.203 327 HA ARG 41 HA ARG 41 -14.647 -5.844 34.299 328 HB2 ARG 41 HB2 ARG 41 -17.499 -4.985 34.856 329 HB3 ARG 41 HB1 ARG 41 -16.851 -6.582 35.228 330 HG2 ARG 41 HG2 ARG 41 -15.254 -5.675 36.769 331 HG3 ARG 41 HG1 ARG 41 -15.600 -4.025 36.252 332 HD2 ARG 41 HD2 ARG 41 -17.683 -5.838 37.476 333 HD3 ARG 41 HD1 ARG 41 -16.700 -4.727 38.430 334 HE ARG 41 HE ARG 41 -18.950 -4.040 36.798 335 HH11 ARG 41 HH21 ARG 41 -15.857 -2.980 37.937 336 HH12 ARG 41 HH22 ARG 41 -16.231 -1.294 37.798 337 HH21 ARG 41 HH11 ARG 41 -19.446 -1.830 36.615 338 HH22 ARG 41 HH12 ARG 41 -18.261 -0.644 37.049 339 H ASP 42 HN ASP 42 -17.408 -4.634 32.403 340 HA ASP 42 HA ASP 42 -17.947 -7.091 31.093 341 HB2 ASP 42 HB2 ASP 42 -19.477 -5.083 31.299 342 HB3 ASP 42 HB1 ASP 42 -18.529 -4.337 30.011 343 H GLN 43 HN GLN 43 -15.535 -4.684 30.629 344 HA GLN 43 HA GLN 43 -15.003 -5.111 27.871 345 HB2 GLN 43 HB2 GLN 43 -14.229 -3.128 29.199 346 HB3 GLN 43 HB1 GLN 43 -13.060 -4.180 29.996 347 HG2 GLN 43 HG2 GLN 43 -12.051 -4.730 27.828 348 HG3 GLN 43 HG1 GLN 43 -13.240 -3.720 27.010 349 HE21 GLN 43 HE21 GLN 43 -11.028 -3.297 29.842 350 HE22 GLN 43 HE22 GLN 43 -10.457 -1.779 29.341 351 H ILE 44 HN ILE 44 -13.816 -6.578 30.844 352 HA ILE 44 HA ILE 44 -11.747 -8.123 29.686 353 HB ILE 44 HB ILE 44 -13.326 -8.324 32.249 354 HG12 ILE 44 HG12 ILE 44 -10.911 -8.053 33.121 355 HG13 ILE 44 HG11 ILE 44 -10.474 -7.638 31.466 356 HG21 ILE 44 HG21 ILE 44 -12.946 -10.625 31.826 357 HG22 ILE 44 HG22 ILE 44 -11.575 -10.153 32.831 358 HG23 ILE 44 HG23 ILE 44 -11.375 -10.321 31.086 359 HD11 ILE 44 HD11 ILE 44 -11.015 -5.649 32.909 360 HD12 ILE 44 HD12 ILE 44 -12.665 -6.254 33.039 361 HD13 ILE 44 HD13 ILE 44 -12.021 -5.774 31.468 362 H ALA 45 HN ALA 45 -15.158 -8.812 30.354 363 HA ALA 45 HA ALA 45 -15.184 -11.513 29.657 364 HB1 ALA 45 HB1 ALA 45 -17.312 -9.385 29.374 365 HB2 ALA 45 HB2 ALA 45 -17.113 -10.531 30.699 366 HB3 ALA 45 HB3 ALA 45 -17.609 -11.102 29.106 367 H ALA 46 HN ALA 46 -15.354 -8.627 27.637 368 HA ALA 46 HA ALA 46 -16.032 -9.872 25.194 369 HB1 ALA 46 HB1 ALA 46 -15.420 -7.839 24.164 370 HB2 ALA 46 HB2 ALA 46 -14.265 -7.442 25.437 371 HB3 ALA 46 HB3 ALA 46 -15.996 -7.370 25.764 372 H SER 47 HN SER 47 -12.967 -9.399 26.865 373 HA SER 47 HA SER 47 -11.202 -9.970 24.799 374 HB2 SER 47 HB2 SER 47 -10.889 -10.820 27.682 375 HB3 SER 47 HB1 SER 47 -9.597 -10.572 26.511 376 HG SER 47 HG SER 47 -10.843 -8.367 26.398 377 H PHE 48 HN PHE 48 -12.987 -12.167 26.914 378 HA PHE 48 HA PHE 48 -11.768 -14.571 26.059 379 HB2 PHE 48 HB2 PHE 48 -14.472 -13.963 27.258 380 HB3 PHE 48 HB1 PHE 48 -13.946 -15.604 26.889 381 HD1 PHE 48 HD2 PHE 48 -13.216 -12.583 28.910 382 HD2 PHE 48 HD1 PHE 48 -12.291 -16.721 28.223 383 HE1 PHE 48 HE2 PHE 48 -11.931 -12.647 31.030 384 HE2 PHE 48 HE1 PHE 48 -11.006 -16.785 30.343 385 HZ PHE 48 HZ PHE 48 -10.826 -14.749 31.747 386 H GLU 49 HN GLU 49 -14.595 -12.779 24.879 387 HA GLU 49 HA GLU 49 -15.414 -14.705 22.963 388 HB2 GLU 49 HB2 GLU 49 -15.879 -11.740 23.263 389 HB3 GLU 49 HB1 GLU 49 -16.535 -12.642 21.898 390 HG2 GLU 49 HG2 GLU 49 -18.230 -12.581 23.613 391 HG3 GLU 49 HG1 GLU 49 -17.594 -14.223 23.558 392 H LEU 50 HN LEU 50 -13.481 -11.731 22.633 393 HA LEU 50 HA LEU 50 -12.930 -12.047 19.886 394 HB2 LEU 50 HB2 LEU 50 -11.725 -10.481 22.134 395 HB3 LEU 50 HB1 LEU 50 -10.822 -10.592 20.626 396 HG LEU 50 HG LEU 50 -12.365 -8.597 20.785 397 HD11 LEU 50 HD11 LEU 50 -13.409 -10.291 18.545 398 HD12 LEU 50 HD12 LEU 50 -11.676 -10.000 18.598 399 HD13 LEU 50 HD13 LEU 50 -12.796 -8.643 18.510 400 HD21 LEU 50 HD21 LEU 50 -14.714 -8.853 20.813 401 HD22 LEU 50 HD22 LEU 50 -14.169 -10.067 21.964 402 HD23 LEU 50 HD23 LEU 50 -14.629 -10.547 20.336 403 H ASN 51 HN ASN 51 -11.186 -13.121 22.763 404 HA ASN 51 HA ASN 51 -8.903 -14.097 21.460 405 HB2 ASN 51 HB2 ASN 51 -10.282 -14.978 24.000 406 HB3 ASN 51 HB1 ASN 51 -8.715 -15.594 23.481 407 HD21 ASN 51 HD21 ASN 51 -8.888 -14.162 25.910 408 HD22 ASN 51 HD22 ASN 51 -8.123 -12.659 25.724 409 H LYS 52 HN LYS 52 -11.893 -15.796 22.408 410 HA LYS 52 HA LYS 52 -11.157 -18.280 21.241 411 HB2 LYS 52 HB2 LYS 52 -13.832 -17.115 22.001 412 HB3 LYS 52 HB1 LYS 52 -13.628 -18.763 21.405 413 HG2 LYS 52 HG2 LYS 52 -11.991 -19.181 23.248 414 HG3 LYS 52 HG1 LYS 52 -12.341 -17.572 23.880 415 HD2 LYS 52 HD2 LYS 52 -14.504 -19.634 23.408 416 HD3 LYS 52 HD1 LYS 52 -13.648 -19.504 24.943 417 HE2 LYS 52 HE2 LYS 52 -14.318 -17.019 24.923 418 HE3 LYS 52 HE1 LYS 52 -15.430 -17.447 23.622 419 HZ1 LYS 52 HZ1 LYS 52 -16.767 -17.786 25.393 420 HZ2 LYS 52 HZ2 LYS 52 -15.492 -18.185 26.443 421 HZ3 LYS 52 HZ3 LYS 52 -16.061 -19.327 25.320 422 H LYS 53 HN LYS 53 -13.169 -15.585 20.086 423 HA LYS 53 HA LYS 53 -13.948 -16.759 17.646 424 HB2 LYS 53 HB2 LYS 53 -13.685 -13.893 18.556 425 HB3 LYS 53 HB1 LYS 53 -14.252 -14.309 16.940 426 HG2 LYS 53 HG2 LYS 53 -16.085 -15.603 17.871 427 HG3 LYS 53 HG1 LYS 53 -15.488 -15.333 19.508 428 HD2 LYS 53 HD2 LYS 53 -15.758 -12.867 19.135 429 HD3 LYS 53 HD1 LYS 53 -16.511 -13.229 17.581 430 HE2 LYS 53 HE2 LYS 53 -17.492 -14.303 20.230 431 HE3 LYS 53 HE1 LYS 53 -18.157 -12.873 19.443 432 HZ1 LYS 53 HZ1 LYS 53 -19.500 -14.706 18.828 433 HZ2 LYS 53 HZ2 LYS 53 -18.152 -15.659 18.426 434 HZ3 LYS 53 HZ3 LYS 53 -18.565 -14.318 17.467 435 H ILE 54 HN ILE 54 -11.235 -14.582 18.418 436 HA ILE 54 HA ILE 54 -10.206 -14.492 15.775 437 HB ILE 54 HB ILE 54 -8.930 -13.990 18.472 438 HG12 ILE 54 HG12 ILE 54 -9.692 -12.067 16.258 439 HG13 ILE 54 HG11 ILE 54 -10.764 -12.460 17.602 440 HG21 ILE 54 HG21 ILE 54 -7.161 -12.806 17.036 441 HG22 ILE 54 HG22 ILE 54 -7.807 -13.723 15.676 442 HG23 ILE 54 HG23 ILE 54 -7.102 -14.570 17.052 443 HD11 ILE 54 HD11 ILE 54 -9.366 -10.373 17.942 444 HD12 ILE 54 HD12 ILE 54 -7.946 -11.417 17.974 445 HD13 ILE 54 HD13 ILE 54 -9.193 -11.588 19.209 446 H ASN 55 HN ASN 55 -9.406 -16.497 18.600 447 HA ASN 55 HA ASN 55 -7.303 -17.935 17.369 448 HB2 ASN 55 HB2 ASN 55 -9.116 -18.526 19.707 449 HB3 ASN 55 HB1 ASN 55 -7.868 -19.656 19.187 450 HD21 ASN 55 HD21 ASN 55 -5.845 -17.751 18.435 451 HD22 ASN 55 HD22 ASN 55 -5.323 -16.960 19.843 452 H ASP 56 HN ASP 56 -10.774 -18.573 17.684 453 HA ASP 56 HA ASP 56 -10.758 -21.120 16.452 454 HB2 ASP 56 HB2 ASP 56 -12.923 -19.046 16.807 455 HB3 ASP 56 HB1 ASP 56 -13.217 -20.615 16.061 456 H TYR 57 HN TYR 57 -11.173 -17.848 15.186 457 HA TYR 57 HA TYR 57 -11.949 -18.445 12.580 458 HB2 TYR 57 HB2 TYR 57 -11.866 -16.157 13.560 459 HB3 TYR 57 HB1 TYR 57 -10.105 -16.204 13.446 460 HD1 TYR 57 HD1 TYR 57 -13.161 -16.741 11.339 461 HD2 TYR 57 HD2 TYR 57 -9.076 -15.418 11.486 462 HE1 TYR 57 HE1 TYR 57 -13.309 -16.023 8.970 463 HE2 TYR 57 HE2 TYR 57 -9.227 -14.701 9.117 464 HH TYR 57 HH TYR 57 -11.380 -13.958 7.553 465 H ILE 58 HN ILE 58 -8.715 -18.348 14.021 466 HA ILE 58 HA ILE 58 -7.235 -18.674 11.639 467 HB ILE 58 HB ILE 58 -6.635 -19.462 14.495 468 HG12 ILE 58 HG12 ILE 58 -5.476 -17.207 12.843 469 HG13 ILE 58 HG11 ILE 58 -6.946 -16.994 13.799 470 HG21 ILE 58 HG21 ILE 58 -4.220 -19.430 13.591 471 HG22 ILE 58 HG22 ILE 58 -4.946 -19.559 11.988 472 HG23 ILE 58 HG23 ILE 58 -5.204 -20.834 13.178 473 HD11 ILE 58 HD11 ILE 58 -5.161 -16.285 15.209 474 HD12 ILE 58 HD12 ILE 58 -4.161 -17.668 14.771 475 HD13 ILE 58 HD13 ILE 58 -5.583 -17.893 15.788 476 H ALA 59 HN ALA 59 -8.531 -21.039 13.955 477 HA ALA 59 HA ALA 59 -7.479 -23.340 12.691 478 HB1 ALA 59 HB1 ALA 59 -8.330 -23.350 15.003 479 HB2 ALA 59 HB2 ALA 59 -9.118 -24.584 14.020 480 HB3 ALA 59 HB3 ALA 59 -9.965 -23.084 14.399 481 H GLU 60 HN GLU 60 -10.405 -21.465 12.196 482 HA GLU 60 HA GLU 60 -11.733 -23.341 10.517 483 HB2 GLU 60 HB2 GLU 60 -12.013 -20.350 10.848 484 HB3 GLU 60 HB1 GLU 60 -13.061 -21.313 9.805 485 HG2 GLU 60 HG2 GLU 60 -13.782 -22.661 11.696 486 HG3 GLU 60 HG1 GLU 60 -12.649 -21.834 12.761 487 H HIS 61 HN HIS 61 -9.577 -20.601 9.889 488 HA HIS 61 HA HIS 61 -9.062 -21.680 7.199 489 HB2 HIS 61 HB2 HIS 61 -9.675 -18.763 7.684 490 HB3 HIS 61 HB1 HIS 61 -9.341 -19.544 6.138 491 HD2 HIS 61 HD2 HIS 61 -11.495 -21.098 5.093 492 HE1 HIS 61 HE1 HIS 61 -14.295 -19.981 8.047 493 HE2 HIS 61 HE2 HIS 61 -14.004 -21.152 5.814 494 HA PRO 62 HA PRO 62 -5.264 -20.187 9.436 495 HB2 PRO 62 HB2 PRO 62 -3.925 -22.572 9.514 496 HB3 PRO 62 HB1 PRO 62 -5.082 -22.075 10.763 497 HG2 PRO 62 HG2 PRO 62 -5.435 -23.996 8.518 498 HG3 PRO 62 HG1 PRO 62 -6.103 -24.041 10.158 499 HD2 PRO 62 HD2 PRO 62 -7.512 -23.222 7.894 500 HD3 PRO 62 HD1 PRO 62 -7.950 -22.795 9.561 501 H THR 63 HN THR 63 -5.943 -21.950 6.543 502 HA THR 63 HA THR 63 -3.315 -21.759 5.392 503 HB THR 63 HB THR 63 -6.008 -22.361 4.149 504 HG1 THR 63 HG1 THR 63 -5.609 -24.280 4.856 505 HG21 THR 63 HG21 THR 63 -4.610 -21.552 2.393 506 HG22 THR 63 HG22 THR 63 -4.518 -23.312 2.307 507 HG23 THR 63 HG23 THR 63 -3.198 -22.395 3.035 508 H SER 64 HN SER 64 -5.972 -19.639 5.757 509 HA SER 64 HA SER 64 -5.787 -18.046 3.462 510 HB2 SER 64 HB2 SER 64 -6.495 -17.222 6.287 511 HB3 SER 64 HB1 SER 64 -6.818 -16.276 4.837 512 HG SER 64 HG SER 64 -8.068 -18.060 4.086 513 H GLY 65 HN GLY 65 -4.004 -17.895 6.521 514 HA2 GLY 65 HA2 GLY 65 -1.874 -17.055 6.916 515 HA3 GLY 65 HA1 GLY 65 -1.789 -16.562 5.227 516 H ARG 66 HN ARG 66 -4.457 -15.185 5.549 517 HA ARG 66 HA ARG 66 -3.416 -12.601 6.251 518 HB2 ARG 66 HB2 ARG 66 -6.262 -13.451 5.664 519 HB3 ARG 66 HB1 ARG 66 -5.661 -11.792 5.708 520 HG2 ARG 66 HG2 ARG 66 -4.643 -13.951 3.837 521 HG3 ARG 66 HG1 ARG 66 -5.786 -12.686 3.385 522 HD2 ARG 66 HD2 ARG 66 -3.821 -11.651 2.725 523 HD3 ARG 66 HD1 ARG 66 -3.853 -11.113 4.402 524 HE ARG 66 HE ARG 66 -2.490 -13.640 3.982 525 HH11 ARG 66 HH21 ARG 66 -2.295 -10.190 4.074 526 HH12 ARG 66 HH22 ARG 66 -0.593 -10.154 4.396 527 HH21 ARG 66 HH11 ARG 66 -0.256 -13.606 4.407 528 HH22 ARG 66 HH12 ARG 66 0.561 -12.089 4.585 529 H ASN 67 HN ASN 67 -4.846 -15.145 7.988 530 HA ASN 67 HA ASN 67 -6.229 -13.675 9.992 531 HB2 ASN 67 HB2 ASN 67 -4.954 -16.402 10.257 532 HB3 ASN 67 HB1 ASN 67 -6.259 -15.734 11.235 533 HD21 ASN 67 HD21 ASN 67 -6.755 -14.658 8.099 534 HD22 ASN 67 HD22 ASN 67 -7.826 -15.866 7.577 535 H GLN 68 HN GLN 68 -2.896 -14.250 9.380 536 HA GLN 68 HA GLN 68 -1.737 -14.232 11.892 537 HB2 GLN 68 HB2 GLN 68 -0.473 -14.489 9.786 538 HB3 GLN 68 HB1 GLN 68 -0.742 -12.783 9.425 539 HG2 GLN 68 HG2 GLN 68 0.496 -12.109 11.396 540 HG3 GLN 68 HG1 GLN 68 0.638 -13.783 11.930 541 HE21 GLN 68 HE21 GLN 68 3.061 -12.744 11.746 542 HE22 GLN 68 HE22 GLN 68 3.849 -13.128 10.291 543 H ALA 69 HN ALA 69 -2.942 -11.498 9.987 544 HA ALA 69 HA ALA 69 -2.049 -9.478 11.803 545 HB1 ALA 69 HB1 ALA 69 -3.414 -7.971 10.510 546 HB2 ALA 69 HB2 ALA 69 -4.343 -9.310 9.837 547 HB3 ALA 69 HB3 ALA 69 -2.650 -9.100 9.389 548 H LEU 70 HN LEU 70 -5.019 -11.343 11.434 549 HA LEU 70 HA LEU 70 -6.609 -9.894 13.244 550 HB2 LEU 70 HB2 LEU 70 -7.317 -11.737 11.591 551 HB3 LEU 70 HB1 LEU 70 -6.812 -12.873 12.841 552 HG LEU 70 HG LEU 70 -8.314 -11.516 14.442 553 HD11 LEU 70 HD11 LEU 70 -8.837 -9.538 13.260 554 HD12 LEU 70 HD12 LEU 70 -10.299 -10.502 13.091 555 HD13 LEU 70 HD13 LEU 70 -9.149 -10.406 11.758 556 HD21 LEU 70 HD21 LEU 70 -8.853 -13.781 13.580 557 HD22 LEU 70 HD22 LEU 70 -9.612 -13.049 12.167 558 HD23 LEU 70 HD23 LEU 70 -10.301 -12.793 13.769 559 H THR 71 HN THR 71 -4.374 -12.583 13.712 560 HA THR 71 HA THR 71 -4.940 -13.178 16.383 561 HB THR 71 HB THR 71 -2.205 -13.236 15.094 562 HG1 THR 71 HG1 THR 71 -2.796 -15.103 14.180 563 HG21 THR 71 HG21 THR 71 -1.895 -15.162 16.638 564 HG22 THR 71 HG22 THR 71 -3.490 -14.842 17.321 565 HG23 THR 71 HG23 THR 71 -2.199 -13.654 17.500 566 H GLN 72 HN GLN 72 -3.350 -10.451 14.971 567 HA GLN 72 HA GLN 72 -1.774 -9.612 17.159 568 HB2 GLN 72 HB2 GLN 72 -1.639 -8.712 14.819 569 HB3 GLN 72 HB1 GLN 72 -3.142 -7.841 15.126 570 HG2 GLN 72 HG2 GLN 72 -2.094 -6.675 17.018 571 HG3 GLN 72 HG1 GLN 72 -0.593 -7.554 16.736 572 HE21 GLN 72 HE21 GLN 72 -1.904 -7.020 13.715 573 HE22 GLN 72 HE22 GLN 72 -1.114 -5.569 13.327 574 H LEU 73 HN LEU 73 -5.182 -9.262 16.422 575 HA LEU 73 HA LEU 73 -5.795 -7.228 18.286 576 HB2 LEU 73 HB2 LEU 73 -7.403 -9.378 16.924 577 HB3 LEU 73 HB1 LEU 73 -8.142 -8.368 18.165 578 HG LEU 73 HG LEU 73 -7.506 -6.345 16.913 579 HD11 LEU 73 HD11 LEU 73 -6.280 -8.386 15.049 580 HD12 LEU 73 HD12 LEU 73 -5.505 -6.991 15.799 581 HD13 LEU 73 HD13 LEU 73 -6.687 -6.755 14.512 582 HD21 LEU 73 HD21 LEU 73 -9.680 -7.182 16.394 583 HD22 LEU 73 HD22 LEU 73 -9.023 -8.491 15.414 584 HD23 LEU 73 HD23 LEU 73 -8.929 -6.827 14.840 585 H LYS 74 HN LYS 74 -5.619 -10.749 18.563 586 HA LYS 74 HA LYS 74 -6.795 -11.101 21.057 587 HB2 LYS 74 HB2 LYS 74 -6.041 -12.939 19.558 588 HB3 LYS 74 HB1 LYS 74 -4.371 -12.563 19.981 589 HG2 LYS 74 HG2 LYS 74 -4.841 -13.033 22.345 590 HG3 LYS 74 HG1 LYS 74 -6.529 -13.358 21.955 591 HD2 LYS 74 HD2 LYS 74 -5.839 -15.224 20.499 592 HD3 LYS 74 HD1 LYS 74 -4.149 -14.906 20.892 593 HE2 LYS 74 HE2 LYS 74 -4.620 -15.338 23.276 594 HE3 LYS 74 HE1 LYS 74 -6.309 -15.661 22.884 595 HZ1 LYS 74 HZ1 LYS 74 -5.781 -17.728 22.351 596 HZ2 LYS 74 HZ2 LYS 74 -4.172 -17.439 22.816 597 HZ3 LYS 74 HZ3 LYS 74 -4.651 -17.192 21.204 598 H GLU 75 HN GLU 75 -3.332 -10.585 20.353 599 HA GLU 75 HA GLU 75 -2.597 -10.329 23.098 600 HB2 GLU 75 HB2 GLU 75 -0.453 -9.450 22.175 601 HB3 GLU 75 HB1 GLU 75 -0.938 -10.990 21.466 602 HG2 GLU 75 HG2 GLU 75 -1.880 -9.820 19.523 603 HG3 GLU 75 HG1 GLU 75 -1.441 -8.267 20.233 604 H GLN 76 HN GLN 76 -3.786 -8.124 20.680 605 HA GLN 76 HA GLN 76 -2.905 -5.690 21.793 606 HB2 GLN 76 HB2 GLN 76 -3.931 -5.998 19.514 607 HB3 GLN 76 HB1 GLN 76 -5.497 -6.153 20.312 608 HG2 GLN 76 HG2 GLN 76 -5.233 -3.925 21.306 609 HG3 GLN 76 HG1 GLN 76 -3.650 -3.762 20.548 610 HE21 GLN 76 HE21 GLN 76 -3.748 -2.533 18.672 611 HE22 GLN 76 HE22 GLN 76 -5.068 -2.480 17.607 612 H VAL 77 HN VAL 77 -5.963 -7.480 22.248 613 HA VAL 77 HA VAL 77 -7.151 -5.680 24.044 614 HB VAL 77 HB VAL 77 -7.462 -8.679 23.765 615 HG11 VAL 77 HG11 VAL 77 -8.979 -6.629 25.387 616 HG12 VAL 77 HG12 VAL 77 -8.286 -8.155 25.934 617 HG13 VAL 77 HG13 VAL 77 -9.711 -8.157 24.895 618 HG21 VAL 77 HG21 VAL 77 -9.606 -7.915 22.626 619 HG22 VAL 77 HG22 VAL 77 -8.120 -7.547 21.749 620 HG23 VAL 77 HG23 VAL 77 -8.945 -6.280 22.657 621 H THR 78 HN THR 78 -5.146 -8.565 24.646 622 HA THR 78 HA THR 78 -5.209 -8.440 27.465 623 HB THR 78 HB THR 78 -3.112 -9.805 27.323 624 HG1 THR 78 HG1 THR 78 -3.511 -9.669 24.534 625 HG21 THR 78 HG21 THR 78 -4.196 -11.704 26.162 626 HG22 THR 78 HG22 THR 78 -5.386 -10.595 25.481 627 HG23 THR 78 HG23 THR 78 -5.326 -10.862 27.223 628 H SER 79 HN SER 79 -2.928 -7.080 25.100 629 HA SER 79 HA SER 79 -1.148 -5.950 26.989 630 HB2 SER 79 HB2 SER 79 -0.364 -6.203 24.756 631 HB3 SER 79 HB1 SER 79 -1.735 -5.314 24.096 632 HG SER 79 HG SER 79 0.597 -4.356 24.809 633 H ALA 80 HN ALA 80 -3.959 -4.629 25.271 634 HA ALA 80 HA ALA 80 -3.769 -1.983 26.178 635 HB1 ALA 80 HB1 ALA 80 -5.284 -2.674 24.374 636 HB2 ALA 80 HB2 ALA 80 -6.161 -1.821 25.644 637 HB3 ALA 80 HB3 ALA 80 -6.256 -3.579 25.536 638 H LEU 81 HN LEU 81 -5.538 -4.741 27.545 639 HA LEU 81 HA LEU 81 -6.556 -3.337 29.792 640 HB2 LEU 81 HB2 LEU 81 -6.060 -6.300 29.384 641 HB3 LEU 81 HB1 LEU 81 -7.000 -5.604 30.705 642 HG LEU 81 HG LEU 81 -7.631 -5.042 27.795 643 HD11 LEU 81 HD11 LEU 81 -7.773 -7.482 28.224 644 HD12 LEU 81 HD12 LEU 81 -9.371 -6.782 27.962 645 HD13 LEU 81 HD13 LEU 81 -8.837 -7.172 29.597 646 HD21 LEU 81 HD21 LEU 81 -8.739 -3.443 29.140 647 HD22 LEU 81 HD22 LEU 81 -9.037 -4.598 30.438 648 HD23 LEU 81 HD23 LEU 81 -9.958 -4.698 28.939 649 H GLY 82 HN GLY 82 -3.527 -4.886 29.109 650 HA2 GLY 82 HA2 GLY 82 -1.512 -4.622 30.256 651 HA3 GLY 82 HA1 GLY 82 -2.385 -3.832 31.567 652 H LEU 83 HN LEU 83 -3.885 -6.697 30.582 653 HA LEU 83 HA LEU 83 -3.429 -7.971 33.074 654 HB2 LEU 83 HB2 LEU 83 -5.473 -8.415 31.854 655 HB3 LEU 83 HB1 LEU 83 -4.566 -9.021 30.470 656 HG LEU 83 HG LEU 83 -3.729 -10.894 31.790 657 HD11 LEU 83 HD11 LEU 83 -4.864 -11.165 34.135 658 HD12 LEU 83 HD12 LEU 83 -5.101 -9.419 34.034 659 HD13 LEU 83 HD13 LEU 83 -3.472 -10.093 33.987 660 HD21 LEU 83 HD21 LEU 83 -6.691 -10.695 32.326 661 HD22 LEU 83 HD22 LEU 83 -5.742 -12.136 31.957 662 HD23 LEU 83 HD23 LEU 83 -6.042 -10.931 30.702 663 H GLU 84 HN GLU 84 -2.134 -8.507 29.816 664 HA GLU 84 HA GLU 84 -0.334 -9.718 29.066 665 HB2 GLU 84 HB2 GLU 84 0.851 -8.117 30.538 666 HB3 GLU 84 HB1 GLU 84 0.683 -9.253 31.877 667 HG2 GLU 84 HG2 GLU 84 1.976 -10.932 30.662 668 HG3 GLU 84 HG1 GLU 84 2.078 -9.872 29.258 669 H HIS 85 HN HIS 85 -1.310 -11.714 28.740 670 HA HIS 85 HA HIS 85 -1.823 -13.584 30.828 671 HB2 HIS 85 HB2 HIS 85 -2.192 -15.188 29.012 672 HB3 HIS 85 HB1 HIS 85 -2.987 -13.655 28.653 673 HD2 HIS 85 HD2 HIS 85 -1.618 -12.062 26.645 674 HE1 HIS 85 HE1 HIS 85 0.794 -15.251 25.289 675 HE2 HIS 85 HE2 HIS 85 0.008 -12.891 24.777 676 H HIS 86 HN HIS 86 -0.490 -14.957 31.828 677 HA HIS 86 HA HIS 86 2.313 -14.887 31.416 678 HB2 HIS 86 HB2 HIS 86 1.228 -15.452 33.582 679 HB3 HIS 86 HB1 HIS 86 0.686 -16.979 32.882 680 HD2 HIS 86 HD2 HIS 86 4.101 -15.265 33.913 681 HE1 HIS 86 HE1 HIS 86 4.784 -19.388 33.318 682 HE2 HIS 86 HE2 HIS 86 5.833 -17.210 34.095 683 H HIS 87 HN HIS 87 -0.164 -17.296 30.576 684 HA HIS 87 HA HIS 87 1.277 -18.142 28.256 685 HB2 HIS 87 HB2 HIS 87 2.622 -19.291 29.979 686 HB3 HIS 87 HB1 HIS 87 1.163 -20.082 30.577 687 HD2 HIS 87 HD2 HIS 87 3.607 -20.317 27.515 688 HE1 HIS 87 HE1 HIS 87 0.795 -23.449 27.186 689 HE2 HIS 87 HE2 HIS 87 2.937 -22.485 26.221 690 H HIS 88 HN HIS 88 -1.193 -18.886 30.671 691 HA HIS 88 HA HIS 88 -3.130 -19.372 28.536 692 HB2 HIS 88 HB2 HIS 88 -3.844 -21.524 29.458 693 HB3 HIS 88 HB1 HIS 88 -2.151 -21.600 28.968 694 HD2 HIS 88 HD2 HIS 88 -4.113 -22.680 31.939 695 HE1 HIS 88 HE1 HIS 88 -0.363 -21.588 33.544 696 HE2 HIS 88 HE2 HIS 88 -2.543 -22.800 34.023 697 H HIS 89 HN HIS 89 -5.351 -19.656 29.461 698 HA HIS 89 HA HIS 89 -5.750 -18.660 32.172 699 HB2 HIS 89 HB2 HIS 89 -7.220 -16.800 31.363 700 HB3 HIS 89 HB1 HIS 89 -5.512 -16.565 30.989 701 HD2 HIS 89 HD2 HIS 89 -4.893 -17.453 28.184 702 HE1 HIS 89 HE1 HIS 89 -8.819 -16.589 26.894 703 HE2 HIS 89 HE2 HIS 89 -6.452 -17.090 26.121 704 H HIS 90 HN HIS 90 -7.847 -19.016 32.951 705 HA HIS 90 HA HIS 90 -9.277 -21.138 31.589 706 HB2 HIS 90 HB2 HIS 90 -8.900 -21.065 34.081 707 HB3 HIS 90 HB1 HIS 90 -10.037 -19.719 34.147 708 HD2 HIS 90 HD2 HIS 90 -10.092 -23.587 33.352 709 HE1 HIS 90 HE1 HIS 90 -14.074 -22.246 33.760 710 HE2 HIS 90 HE2 HIS 90 -12.603 -24.294 33.465 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -6.373 5.212 21.515 2 H2 MET 1 HT2 MET 1 -5.725 6.540 22.355 3 H3 MET 1 HT3 MET 1 -7.399 6.248 22.382 4 HA MET 1 HA MET 1 -5.242 4.883 23.824 5 HB2 MET 1 HB2 MET 1 -8.073 5.766 24.461 6 HB3 MET 1 HB1 MET 1 -7.024 4.918 25.598 7 HG2 MET 1 HG2 MET 1 -6.768 7.246 26.082 8 HG3 MET 1 HG1 MET 1 -5.316 6.773 25.203 9 HE1 MET 1 HE1 MET 1 -8.047 9.226 25.568 10 HE2 MET 1 HE2 MET 1 -8.978 7.987 24.729 11 HE3 MET 1 HE3 MET 1 -8.697 9.544 23.954 12 H GLY 2 HN GLY 2 -5.190 3.084 22.266 13 HA2 GLY 2 HA2 GLY 2 -6.508 0.809 23.156 14 HA3 GLY 2 HA1 GLY 2 -7.459 1.426 21.809 15 H GLN 3 HN GLN 3 -5.280 -0.826 22.473 16 HA GLN 3 HA GLN 3 -3.557 -0.434 20.119 17 HB2 GLN 3 HB2 GLN 3 -3.527 -2.470 22.354 18 HB3 GLN 3 HB1 GLN 3 -2.425 -2.501 20.977 19 HG2 GLN 3 HG2 GLN 3 -1.624 -0.245 21.555 20 HG3 GLN 3 HG1 GLN 3 -2.734 -0.198 22.926 21 HE21 GLN 3 HE21 GLN 3 -0.362 0.126 23.931 22 HE22 GLN 3 HE22 GLN 3 0.373 -1.302 24.479 23 H ILE 4 HN ILE 4 -6.576 -1.429 20.488 24 HA ILE 4 HA ILE 4 -6.468 -3.945 19.050 25 HB ILE 4 HB ILE 4 -8.759 -2.290 19.954 26 HG12 ILE 4 HG12 ILE 4 -7.818 -4.962 20.977 27 HG13 ILE 4 HG11 ILE 4 -7.292 -3.437 21.689 28 HG21 ILE 4 HG21 ILE 4 -9.561 -3.513 18.091 29 HG22 ILE 4 HG22 ILE 4 -10.014 -4.490 19.488 30 HG23 ILE 4 HG23 ILE 4 -8.605 -4.924 18.527 31 HD11 ILE 4 HD11 ILE 4 -10.160 -4.397 21.451 32 HD12 ILE 4 HD12 ILE 4 -9.667 -2.833 22.101 33 HD13 ILE 4 HD13 ILE 4 -9.210 -4.319 22.935 34 H PHE 5 HN PHE 5 -7.570 -4.284 17.010 35 HA PHE 5 HA PHE 5 -6.890 -2.289 15.081 36 HB2 PHE 5 HB2 PHE 5 -8.392 -4.903 14.988 37 HB3 PHE 5 HB1 PHE 5 -8.296 -3.868 13.563 38 HD1 PHE 5 HD1 PHE 5 -6.205 -5.604 16.125 39 HD2 PHE 5 HD2 PHE 5 -6.350 -3.825 12.222 40 HE1 PHE 5 HE1 PHE 5 -3.929 -6.463 15.651 41 HE2 PHE 5 HE2 PHE 5 -4.076 -4.685 11.743 42 HZ PHE 5 HZ PHE 5 -2.863 -6.003 13.459 43 H THR 6 HN THR 6 -8.066 -0.696 14.214 44 HA THR 6 HA THR 6 -10.675 -0.116 15.356 45 HB THR 6 HB THR 6 -10.467 1.926 13.826 46 HG1 THR 6 HG1 THR 6 -7.900 1.929 13.525 47 HG21 THR 6 HG21 THR 6 -8.570 2.867 15.265 48 HG22 THR 6 HG22 THR 6 -8.465 1.263 15.988 49 HG23 THR 6 HG23 THR 6 -9.954 2.199 16.130 50 H VAL 7 HN VAL 7 -12.501 0.483 13.969 51 HA VAL 7 HA VAL 7 -13.151 -1.583 12.138 52 HB VAL 7 HB VAL 7 -15.204 -0.305 11.734 53 HG11 VAL 7 HG11 VAL 7 -16.026 -0.295 14.016 54 HG12 VAL 7 HG12 VAL 7 -14.386 -0.143 14.649 55 HG13 VAL 7 HG13 VAL 7 -14.887 -1.632 13.847 56 HG21 VAL 7 HG21 VAL 7 -13.682 1.856 13.217 57 HG22 VAL 7 HG22 VAL 7 -15.431 1.894 12.999 58 HG23 VAL 7 HG23 VAL 7 -14.368 1.944 11.594 59 H GLN 8 HN GLN 8 -12.128 1.778 11.723 60 HA GLN 8 HA GLN 8 -12.545 2.072 8.990 61 HB2 GLN 8 HB2 GLN 8 -10.358 3.191 10.756 62 HB3 GLN 8 HB1 GLN 8 -10.642 3.714 9.095 63 HG2 GLN 8 HG2 GLN 8 -12.929 4.386 9.673 64 HG3 GLN 8 HG1 GLN 8 -12.696 3.813 11.323 65 HE21 GLN 8 HE21 GLN 8 -13.335 6.345 11.480 66 HE22 GLN 8 HE22 GLN 8 -12.003 7.388 11.603 67 H GLU 9 HN GLU 9 -9.805 0.624 10.706 68 HA GLU 9 HA GLU 9 -8.193 0.187 8.411 69 HB2 GLU 9 HB2 GLU 9 -8.257 -1.158 11.120 70 HB3 GLU 9 HB1 GLU 9 -7.034 -1.492 9.892 71 HG2 GLU 9 HG2 GLU 9 -6.365 0.865 9.881 72 HG3 GLU 9 HG1 GLU 9 -7.628 1.247 11.050 73 H LEU 10 HN LEU 10 -10.571 -1.821 10.108 74 HA LEU 10 HA LEU 10 -10.184 -4.153 8.548 75 HB2 LEU 10 HB2 LEU 10 -12.546 -3.180 10.165 76 HB3 LEU 10 HB1 LEU 10 -12.472 -4.767 9.414 77 HG LEU 10 HG LEU 10 -10.336 -3.747 11.306 78 HD11 LEU 10 HD11 LEU 10 -12.882 -5.282 11.862 79 HD12 LEU 10 HD12 LEU 10 -12.309 -3.807 12.642 80 HD13 LEU 10 HD13 LEU 10 -11.492 -5.341 12.946 81 HD21 LEU 10 HD21 LEU 10 -10.996 -6.400 10.007 82 HD22 LEU 10 HD22 LEU 10 -10.120 -6.357 11.530 83 HD23 LEU 10 HD23 LEU 10 -9.444 -5.576 10.118 84 H LYS 11 HN LYS 11 -12.360 -1.399 8.226 85 HA LYS 11 HA LYS 11 -13.926 -2.375 6.119 86 HB2 LYS 11 HB2 LYS 11 -13.151 0.422 6.923 87 HB3 LYS 11 HB1 LYS 11 -14.258 0.096 5.590 88 HG2 LYS 11 HG2 LYS 11 -15.715 -1.186 7.130 89 HG3 LYS 11 HG1 LYS 11 -14.622 -0.818 8.460 90 HD2 LYS 11 HD2 LYS 11 -15.023 1.589 8.146 91 HD3 LYS 11 HD1 LYS 11 -16.096 1.239 6.791 92 HE2 LYS 11 HE2 LYS 11 -17.579 -0.041 8.299 93 HE3 LYS 11 HE1 LYS 11 -16.514 0.330 9.655 94 HZ1 LYS 11 HZ1 LYS 11 -18.554 1.809 9.249 95 HZ2 LYS 11 HZ2 LYS 11 -17.635 2.491 7.992 96 HZ3 LYS 11 HZ3 LYS 11 -17.072 2.558 9.594 97 H GLU 12 HN GLU 12 -10.857 -0.615 6.089 98 HA GLU 12 HA GLU 12 -10.686 -0.293 3.286 99 HB2 GLU 12 HB2 GLU 12 -9.324 0.985 4.929 100 HB3 GLU 12 HB1 GLU 12 -8.423 -0.490 5.283 101 HG2 GLU 12 HG2 GLU 12 -7.683 -0.639 2.957 102 HG3 GLU 12 HG1 GLU 12 -8.647 0.776 2.538 103 H ARG 13 HN ARG 13 -9.265 -2.720 5.471 104 HA ARG 13 HA ARG 13 -8.096 -4.242 3.349 105 HB2 ARG 13 HB2 ARG 13 -8.661 -4.912 6.243 106 HB3 ARG 13 HB1 ARG 13 -7.778 -5.970 5.141 107 HG2 ARG 13 HG2 ARG 13 -6.118 -4.185 4.753 108 HG3 ARG 13 HG1 ARG 13 -6.998 -3.125 5.855 109 HD2 ARG 13 HD2 ARG 13 -5.826 -5.812 6.626 110 HD3 ARG 13 HD1 ARG 13 -5.060 -4.258 6.946 111 HE ARG 13 HE ARG 13 -7.662 -4.166 7.997 112 HH11 ARG 13 HH21 ARG 13 -4.663 -5.837 8.432 113 HH12 ARG 13 HH22 ARG 13 -4.900 -6.105 10.127 114 HH21 ARG 13 HH11 ARG 13 -7.979 -4.516 10.218 115 HH22 ARG 13 HH12 ARG 13 -6.776 -5.356 11.137 116 H ALA 14 HN ALA 14 -11.225 -4.098 4.799 117 HA ALA 14 HA ALA 14 -12.090 -6.725 4.081 118 HB1 ALA 14 HB1 ALA 14 -13.626 -4.221 4.765 119 HB2 ALA 14 HB2 ALA 14 -13.248 -5.555 5.851 120 HB3 ALA 14 HB3 ALA 14 -14.376 -5.794 4.519 121 H LYS 15 HN LYS 15 -11.449 -3.958 2.282 122 HA LYS 15 HA LYS 15 -13.476 -4.070 0.310 123 HB2 LYS 15 HB2 LYS 15 -10.642 -3.046 0.265 124 HB3 LYS 15 HB1 LYS 15 -11.723 -2.903 -1.120 125 HG2 LYS 15 HG2 LYS 15 -13.350 -1.684 0.267 126 HG3 LYS 15 HG1 LYS 15 -12.267 -1.821 1.652 127 HD2 LYS 15 HD2 LYS 15 -10.587 -0.477 0.576 128 HD3 LYS 15 HD1 LYS 15 -11.467 -0.503 -0.953 129 HE2 LYS 15 HE2 LYS 15 -11.858 1.628 0.163 130 HE3 LYS 15 HE1 LYS 15 -13.349 0.688 0.152 131 HZ1 LYS 15 HZ1 LYS 15 -13.118 1.519 2.323 132 HZ2 LYS 15 HZ2 LYS 15 -11.473 1.105 2.403 133 HZ3 LYS 15 HZ3 LYS 15 -12.660 -0.111 2.418 134 H VAL 16 HN VAL 16 -10.283 -5.613 0.525 135 HA VAL 16 HA VAL 16 -9.263 -7.113 -0.947 136 HB VAL 16 HB VAL 16 -10.479 -9.257 -0.927 137 HG11 VAL 16 HG11 VAL 16 -10.475 -9.548 1.428 138 HG12 VAL 16 HG12 VAL 16 -10.898 -7.859 1.715 139 HG13 VAL 16 HG13 VAL 16 -9.293 -8.278 1.115 140 HG21 VAL 16 HG21 VAL 16 -12.745 -7.744 0.383 141 HG22 VAL 16 HG22 VAL 16 -12.733 -9.421 -0.124 142 HG23 VAL 16 HG23 VAL 16 -12.762 -8.149 -1.325 143 H PHE 17 HN PHE 17 -10.943 -9.007 -2.560 144 HA PHE 17 HA PHE 17 -11.240 -7.278 -4.925 145 HB2 PHE 17 HB2 PHE 17 -11.033 -10.282 -4.629 146 HB3 PHE 17 HB1 PHE 17 -11.260 -9.436 -6.160 147 HD1 PHE 17 HD2 PHE 17 -9.526 -7.734 -6.898 148 HD2 PHE 17 HD1 PHE 17 -8.881 -10.445 -3.630 149 HE1 PHE 17 HE2 PHE 17 -7.084 -7.329 -7.045 150 HE2 PHE 17 HE1 PHE 17 -6.439 -10.041 -3.775 151 HZ PHE 17 HZ PHE 17 -5.540 -8.483 -5.483 152 H ALA 18 HN ALA 18 -13.104 -7.304 -6.186 153 HA ALA 18 HA ALA 18 -15.357 -7.398 -6.615 154 HB1 ALA 18 HB1 ALA 18 -14.841 -9.899 -6.349 155 HB2 ALA 18 HB2 ALA 18 -16.519 -9.401 -6.143 156 HB3 ALA 18 HB3 ALA 18 -15.524 -9.748 -4.732 157 H LYS 19 HN LYS 19 -16.966 -8.752 -4.227 158 HA LYS 19 HA LYS 19 -16.859 -6.580 -2.348 159 HB2 LYS 19 HB2 LYS 19 -18.375 -5.857 -4.184 160 HB3 LYS 19 HB1 LYS 19 -19.458 -7.156 -3.692 161 HG2 LYS 19 HG2 LYS 19 -20.319 -5.428 -2.389 162 HG3 LYS 19 HG1 LYS 19 -19.122 -6.067 -1.265 163 HD2 LYS 19 HD2 LYS 19 -17.484 -4.383 -2.074 164 HD3 LYS 19 HD1 LYS 19 -18.706 -3.738 -3.166 165 HE2 LYS 19 HE2 LYS 19 -18.603 -2.403 -1.109 166 HE3 LYS 19 HE1 LYS 19 -20.155 -3.233 -1.228 167 HZ1 LYS 19 HZ1 LYS 19 -19.516 -4.810 0.347 168 HZ2 LYS 19 HZ2 LYS 19 -18.946 -3.342 0.983 169 HZ3 LYS 19 HZ3 LYS 19 -17.871 -4.417 0.225 170 HA PRO 20 HA PRO 20 -17.886 -10.356 -0.055 171 HB2 PRO 20 HB2 PRO 20 -17.270 -9.414 2.433 172 HB3 PRO 20 HB1 PRO 20 -16.034 -9.913 1.263 173 HG2 PRO 20 HG2 PRO 20 -16.949 -7.171 2.003 174 HG3 PRO 20 HG1 PRO 20 -15.319 -7.752 1.616 175 HD2 PRO 20 HD2 PRO 20 -16.948 -6.387 -0.136 176 HD3 PRO 20 HD1 PRO 20 -15.610 -7.465 -0.635 177 H ILE 21 HN ILE 21 -19.472 -10.988 1.547 178 HA ILE 21 HA ILE 21 -21.837 -9.296 1.477 179 HB ILE 21 HB ILE 21 -21.980 -11.746 1.101 180 HG12 ILE 21 HG12 ILE 21 -23.382 -10.912 3.658 181 HG13 ILE 21 HG11 ILE 21 -23.876 -10.357 2.052 182 HG21 ILE 21 HG21 ILE 21 -21.542 -13.304 2.846 183 HG22 ILE 21 HG22 ILE 21 -21.418 -12.031 4.058 184 HG23 ILE 21 HG23 ILE 21 -20.153 -12.218 2.845 185 HD11 ILE 21 HD11 ILE 21 -23.708 -13.253 2.944 186 HD12 ILE 21 HD12 ILE 21 -24.193 -12.701 1.341 187 HD13 ILE 21 HD13 ILE 21 -25.193 -12.325 2.744 188 H GLY 22 HN GLY 22 -22.570 -8.061 3.089 189 HA2 GLY 22 HA2 GLY 22 -20.972 -7.719 5.471 190 HA3 GLY 22 HA1 GLY 22 -22.423 -6.814 5.044 191 H ALA 23 HN ALA 23 -22.963 -7.089 7.340 192 HA ALA 23 HA ALA 23 -24.427 -7.998 8.871 193 HB1 ALA 23 HB1 ALA 23 -25.953 -9.612 8.204 194 HB2 ALA 23 HB2 ALA 23 -24.763 -10.519 7.273 195 HB3 ALA 23 HB3 ALA 23 -25.423 -9.016 6.633 196 H SER 24 HN SER 24 -22.732 -10.775 7.387 197 HA SER 24 HA SER 24 -22.177 -11.970 9.931 198 HB2 SER 24 HB2 SER 24 -20.830 -13.569 8.610 199 HB3 SER 24 HB1 SER 24 -22.433 -13.336 7.917 200 HG SER 24 HG SER 24 -19.943 -12.311 7.062 201 H TYR 25 HN TYR 25 -20.302 -10.076 7.596 202 HA TYR 25 HA TYR 25 -17.865 -10.254 9.142 203 HB2 TYR 25 HB2 TYR 25 -17.839 -10.016 6.677 204 HB3 TYR 25 HB1 TYR 25 -18.565 -8.417 6.842 205 HD1 TYR 25 HD2 TYR 25 -15.621 -10.457 7.923 206 HD2 TYR 25 HD1 TYR 25 -17.206 -6.526 7.224 207 HE1 TYR 25 HE2 TYR 25 -13.373 -9.481 8.306 208 HE2 TYR 25 HE1 TYR 25 -14.959 -5.552 7.606 209 HH TYR 25 HH TYR 25 -12.125 -7.618 8.130 210 H GLN 26 HN GLN 26 -20.671 -8.276 9.126 211 HA GLN 26 HA GLN 26 -19.565 -5.875 10.164 212 HB2 GLN 26 HB2 GLN 26 -21.798 -5.957 9.148 213 HB3 GLN 26 HB1 GLN 26 -22.361 -6.996 10.457 214 HG2 GLN 26 HG2 GLN 26 -21.987 -5.256 12.091 215 HG3 GLN 26 HG1 GLN 26 -21.197 -4.235 10.891 216 HE21 GLN 26 HE21 GLN 26 -23.498 -3.325 12.339 217 HE22 GLN 26 HE22 GLN 26 -24.786 -3.172 11.244 218 H GLY 27 HN GLY 27 -20.478 -8.915 11.597 219 HA2 GLY 27 HA2 GLY 27 -20.777 -8.116 14.281 220 HA3 GLY 27 HA1 GLY 27 -20.314 -9.728 13.744 221 H ILE 28 HN ILE 28 -17.931 -8.848 12.347 222 HA ILE 28 HA ILE 28 -16.082 -8.951 14.506 223 HB ILE 28 HB ILE 28 -15.692 -8.430 11.559 224 HG12 ILE 28 HG12 ILE 28 -15.071 -10.873 13.246 225 HG13 ILE 28 HG11 ILE 28 -16.562 -10.683 12.322 226 HG21 ILE 28 HG21 ILE 28 -13.799 -7.458 12.651 227 HG22 ILE 28 HG22 ILE 28 -13.280 -9.056 12.136 228 HG23 ILE 28 HG23 ILE 28 -13.711 -8.773 13.821 229 HD11 ILE 28 HD11 ILE 28 -13.734 -10.767 11.245 230 HD12 ILE 28 HD12 ILE 28 -15.132 -10.308 10.271 231 HD13 ILE 28 HD13 ILE 28 -15.026 -11.932 10.948 232 H LEU 29 HN LEU 29 -17.601 -6.383 12.765 233 HA LEU 29 HA LEU 29 -15.649 -4.388 13.681 234 HB2 LEU 29 HB2 LEU 29 -18.017 -4.369 11.818 235 HB3 LEU 29 HB1 LEU 29 -17.410 -2.848 12.474 236 HG LEU 29 HG LEU 29 -15.150 -3.394 11.623 237 HD11 LEU 29 HD11 LEU 29 -15.165 -5.788 11.628 238 HD12 LEU 29 HD12 LEU 29 -15.053 -5.306 9.936 239 HD13 LEU 29 HD13 LEU 29 -16.595 -5.846 10.598 240 HD21 LEU 29 HD21 LEU 29 -16.646 -2.063 10.222 241 HD22 LEU 29 HD22 LEU 29 -17.380 -3.529 9.573 242 HD23 LEU 29 HD23 LEU 29 -15.698 -3.149 9.206 243 H ASP 30 HN ASP 30 -19.088 -5.187 14.098 244 HA ASP 30 HA ASP 30 -19.709 -3.106 15.885 245 HB2 ASP 30 HB2 ASP 30 -21.342 -4.622 14.682 246 HB3 ASP 30 HB1 ASP 30 -20.967 -5.850 15.890 247 H GLN 31 HN GLN 31 -18.191 -6.220 16.356 248 HA GLN 31 HA GLN 31 -18.501 -6.442 19.146 249 HB2 GLN 31 HB2 GLN 31 -16.782 -8.096 19.061 250 HB3 GLN 31 HB1 GLN 31 -17.704 -8.242 17.564 251 HG2 GLN 31 HG2 GLN 31 -15.585 -8.170 16.622 252 HG3 GLN 31 HG1 GLN 31 -15.873 -6.458 16.725 253 HE21 GLN 31 HE21 GLN 31 -13.223 -7.497 16.781 254 HE22 GLN 31 HE22 GLN 31 -12.573 -7.221 18.324 255 H LEU 32 HN LEU 32 -16.115 -4.755 17.161 256 HA LEU 32 HA LEU 32 -14.260 -4.138 19.177 257 HB2 LEU 32 HB2 LEU 32 -15.008 -2.715 16.619 258 HB3 LEU 32 HB1 LEU 32 -13.674 -2.202 17.644 259 HG LEU 32 HG LEU 32 -13.938 -5.023 16.557 260 HD11 LEU 32 HD11 LEU 32 -12.187 -4.324 14.924 261 HD12 LEU 32 HD12 LEU 32 -12.391 -2.657 15.458 262 HD13 LEU 32 HD13 LEU 32 -13.722 -3.499 14.663 263 HD21 LEU 32 HD21 LEU 32 -11.333 -4.734 17.015 264 HD22 LEU 32 HD22 LEU 32 -12.417 -5.160 18.317 265 HD23 LEU 32 HD23 LEU 32 -11.873 -3.496 18.136 266 H ASP 33 HN ASP 33 -17.148 -2.428 18.052 267 HA ASP 33 HA ASP 33 -16.862 -0.152 19.721 268 HB2 ASP 33 HB2 ASP 33 -18.408 -0.345 17.750 269 HB3 ASP 33 HB1 ASP 33 -19.447 -1.373 18.738 270 H LEU 34 HN LEU 34 -18.501 -3.273 20.159 271 HA LEU 34 HA LEU 34 -19.634 -2.685 22.697 272 HB2 LEU 34 HB2 LEU 34 -18.894 -5.312 21.383 273 HB3 LEU 34 HB1 LEU 34 -19.786 -5.190 22.896 274 HG LEU 34 HG LEU 34 -20.666 -3.875 20.308 275 HD11 LEU 34 HD11 LEU 34 -21.409 -6.528 21.559 276 HD12 LEU 34 HD12 LEU 34 -20.806 -6.234 19.928 277 HD13 LEU 34 HD13 LEU 34 -22.432 -5.717 20.374 278 HD21 LEU 34 HD21 LEU 34 -21.793 -2.711 21.976 279 HD22 LEU 34 HD22 LEU 34 -21.782 -4.068 23.102 280 HD23 LEU 34 HD23 LEU 34 -22.908 -4.047 21.752 281 H VAL 35 HN VAL 35 -16.591 -4.225 21.697 282 HA VAL 35 HA VAL 35 -15.694 -4.879 24.308 283 HB VAL 35 HB VAL 35 -14.229 -4.336 21.722 284 HG11 VAL 35 HG11 VAL 35 -13.180 -5.101 24.456 285 HG12 VAL 35 HG12 VAL 35 -12.605 -3.824 23.381 286 HG13 VAL 35 HG13 VAL 35 -12.305 -5.513 22.978 287 HG21 VAL 35 HG21 VAL 35 -15.715 -6.381 22.004 288 HG22 VAL 35 HG22 VAL 35 -14.625 -6.900 23.287 289 HG23 VAL 35 HG23 VAL 35 -14.026 -6.734 21.639 290 H HIS 36 HN HIS 36 -15.784 -1.888 22.554 291 HA HIS 36 HA HIS 36 -13.833 -0.546 24.224 292 HB2 HIS 36 HB2 HIS 36 -14.251 0.076 21.836 293 HB3 HIS 36 HB1 HIS 36 -15.845 0.660 22.314 294 HD2 HIS 36 HD2 HIS 36 -15.828 3.268 23.245 295 HE1 HIS 36 HE1 HIS 36 -11.675 3.621 23.919 296 HE2 HIS 36 HE2 HIS 36 -13.886 4.870 23.942 297 H GLN 37 HN GLN 37 -17.350 -0.779 23.990 298 HA GLN 37 HA GLN 37 -17.782 1.162 26.110 299 HB2 GLN 37 HB2 GLN 37 -19.687 -0.727 24.701 300 HB3 GLN 37 HB1 GLN 37 -20.161 0.530 25.844 301 HG2 GLN 37 HG2 GLN 37 -18.616 1.051 23.292 302 HG3 GLN 37 HG1 GLN 37 -20.362 1.243 23.448 303 HE21 GLN 37 HE21 GLN 37 -17.674 3.096 23.372 304 HE22 GLN 37 HE22 GLN 37 -18.119 4.327 24.453 305 H ALA 38 HN ALA 38 -17.303 -2.254 25.805 306 HA ALA 38 HA ALA 38 -18.565 -3.017 28.262 307 HB1 ALA 38 HB1 ALA 38 -18.301 -4.742 26.659 308 HB2 ALA 38 HB2 ALA 38 -17.129 -5.114 27.923 309 HB3 ALA 38 HB3 ALA 38 -16.595 -4.367 26.418 310 H LYS 39 HN LYS 39 -17.441 -3.819 30.155 311 HA LYS 39 HA LYS 39 -14.690 -3.097 30.557 312 HB2 LYS 39 HB2 LYS 39 -15.741 -0.915 30.898 313 HB3 LYS 39 HB1 LYS 39 -16.856 -1.622 32.066 314 HG2 LYS 39 HG2 LYS 39 -15.006 -0.511 33.230 315 HG3 LYS 39 HG1 LYS 39 -14.922 -2.241 33.511 316 HD2 LYS 39 HD2 LYS 39 -13.110 -2.534 32.023 317 HD3 LYS 39 HD1 LYS 39 -13.405 -0.989 31.219 318 HE2 LYS 39 HE2 LYS 39 -11.456 -0.814 32.678 319 HE3 LYS 39 HE1 LYS 39 -12.765 0.169 33.329 320 HZ1 LYS 39 HZ1 LYS 39 -12.905 -2.501 34.289 321 HZ2 LYS 39 HZ2 LYS 39 -12.814 -1.047 35.163 322 HZ3 LYS 39 HZ3 LYS 39 -11.394 -1.818 34.638 323 H GLY 40 HN GLY 40 -13.776 -4.190 32.274 324 HA2 GLY 40 HA2 GLY 40 -13.630 -5.588 34.113 325 HA3 GLY 40 HA1 GLY 40 -15.362 -5.385 34.354 326 H ARG 41 HN ARG 41 -16.226 -7.364 34.424 327 HA ARG 41 HA ARG 41 -15.165 -9.622 33.084 328 HB2 ARG 41 HB2 ARG 41 -16.523 -9.806 35.124 329 HB3 ARG 41 HB1 ARG 41 -17.921 -9.179 34.255 330 HG2 ARG 41 HG2 ARG 41 -16.615 -11.486 32.895 331 HG3 ARG 41 HG1 ARG 41 -17.275 -11.880 34.478 332 HD2 ARG 41 HD2 ARG 41 -18.845 -10.419 32.346 333 HD3 ARG 41 HD1 ARG 41 -18.894 -12.164 32.563 334 HE ARG 41 HE ARG 41 -19.436 -10.999 35.050 335 HH11 ARG 41 HH21 ARG 41 -20.756 -11.126 31.855 336 HH12 ARG 41 HH22 ARG 41 -22.397 -10.946 32.376 337 HH21 ARG 41 HH11 ARG 41 -21.588 -10.763 35.743 338 HH22 ARG 41 HH12 ARG 41 -22.869 -10.740 34.577 339 H ASP 42 HN ASP 42 -17.238 -7.082 32.083 340 HA ASP 42 HA ASP 42 -18.711 -8.413 30.063 341 HB2 ASP 42 HB2 ASP 42 -17.929 -5.531 30.469 342 HB3 ASP 42 HB1 ASP 42 -18.914 -6.057 29.105 343 H GLN 43 HN GLN 43 -15.534 -6.904 30.116 344 HA GLN 43 HA GLN 43 -15.077 -6.925 27.322 345 HB2 GLN 43 HB2 GLN 43 -13.205 -6.902 29.686 346 HB3 GLN 43 HB1 GLN 43 -12.645 -6.811 28.015 347 HG2 GLN 43 HG2 GLN 43 -13.897 -4.781 27.634 348 HG3 GLN 43 HG1 GLN 43 -14.676 -4.919 29.205 349 HE21 GLN 43 HE21 GLN 43 -12.152 -3.362 27.619 350 HE22 GLN 43 HE22 GLN 43 -11.186 -2.991 28.964 351 H ILE 44 HN ILE 44 -14.542 -9.286 29.872 352 HA ILE 44 HA ILE 44 -13.005 -11.129 28.370 353 HB ILE 44 HB ILE 44 -14.848 -11.710 30.694 354 HG12 ILE 44 HG12 ILE 44 -11.884 -11.044 30.702 355 HG13 ILE 44 HG11 ILE 44 -13.157 -9.882 31.104 356 HG21 ILE 44 HG21 ILE 44 -13.229 -13.589 31.052 357 HG22 ILE 44 HG22 ILE 44 -12.450 -13.159 29.529 358 HG23 ILE 44 HG23 ILE 44 -14.119 -13.727 29.537 359 HD11 ILE 44 HD11 ILE 44 -12.401 -12.410 32.576 360 HD12 ILE 44 HD12 ILE 44 -13.951 -11.614 32.838 361 HD13 ILE 44 HD13 ILE 44 -12.451 -10.761 33.196 362 H ALA 45 HN ALA 45 -16.491 -10.827 28.966 363 HA ALA 45 HA ALA 45 -17.373 -13.173 27.757 364 HB1 ALA 45 HB1 ALA 45 -19.509 -12.163 27.639 365 HB2 ALA 45 HB2 ALA 45 -18.828 -10.544 27.479 366 HB3 ALA 45 HB3 ALA 45 -18.729 -11.394 29.021 367 H ALA 46 HN ALA 46 -16.522 -10.062 26.294 368 HA ALA 46 HA ALA 46 -17.399 -10.630 23.671 369 HB1 ALA 46 HB1 ALA 46 -16.067 -8.748 23.001 370 HB2 ALA 46 HB2 ALA 46 -15.081 -8.859 24.459 371 HB3 ALA 46 HB3 ALA 46 -16.769 -8.360 24.572 372 H SER 47 HN SER 47 -14.275 -11.086 25.298 373 HA SER 47 HA SER 47 -12.863 -12.014 23.058 374 HB2 SER 47 HB2 SER 47 -11.217 -12.839 24.640 375 HB3 SER 47 HB1 SER 47 -11.822 -11.285 25.205 376 HG SER 47 HG SER 47 -13.055 -12.307 26.705 377 H PHE 48 HN PHE 48 -14.938 -13.636 25.377 378 HA PHE 48 HA PHE 48 -14.266 -16.299 24.782 379 HB2 PHE 48 HB2 PHE 48 -15.680 -15.518 26.710 380 HB3 PHE 48 HB1 PHE 48 -16.999 -15.267 25.568 381 HD1 PHE 48 HD2 PHE 48 -14.481 -17.901 26.487 382 HD2 PHE 48 HD1 PHE 48 -18.502 -17.036 25.244 383 HE1 PHE 48 HE2 PHE 48 -15.043 -20.312 26.626 384 HE2 PHE 48 HE1 PHE 48 -19.063 -19.444 25.383 385 HZ PHE 48 HZ PHE 48 -17.335 -21.083 26.074 386 H GLU 49 HN GLU 49 -16.835 -14.229 23.437 387 HA GLU 49 HA GLU 49 -17.720 -16.186 21.554 388 HB2 GLU 49 HB2 GLU 49 -18.168 -13.217 21.841 389 HB3 GLU 49 HB1 GLU 49 -18.842 -14.133 20.495 390 HG2 GLU 49 HG2 GLU 49 -20.043 -15.589 22.015 391 HG3 GLU 49 HG1 GLU 49 -19.280 -14.826 23.412 392 H LEU 50 HN LEU 50 -15.636 -13.325 21.324 393 HA LEU 50 HA LEU 50 -15.169 -13.445 18.564 394 HB2 LEU 50 HB2 LEU 50 -13.473 -12.366 20.814 395 HB3 LEU 50 HB1 LEU 50 -13.087 -12.137 19.115 396 HG LEU 50 HG LEU 50 -15.738 -11.328 20.345 397 HD11 LEU 50 HD11 LEU 50 -13.680 -10.086 21.238 398 HD12 LEU 50 HD12 LEU 50 -14.925 -9.087 20.491 399 HD13 LEU 50 HD13 LEU 50 -13.460 -9.489 19.593 400 HD21 LEU 50 HD21 LEU 50 -16.183 -11.427 18.083 401 HD22 LEU 50 HD22 LEU 50 -14.508 -11.149 17.610 402 HD23 LEU 50 HD23 LEU 50 -15.504 -9.818 18.156 403 H ASN 51 HN ASN 51 -13.511 -14.977 21.270 404 HA ASN 51 HA ASN 51 -11.280 -15.986 19.964 405 HB2 ASN 51 HB2 ASN 51 -12.956 -17.048 22.239 406 HB3 ASN 51 HB1 ASN 51 -11.542 -17.930 21.666 407 HD21 ASN 51 HD21 ASN 51 -11.564 -16.874 24.296 408 HD22 ASN 51 HD22 ASN 51 -10.451 -15.595 24.382 409 H LYS 52 HN LYS 52 -14.451 -17.575 20.364 410 HA LYS 52 HA LYS 52 -13.800 -19.826 18.771 411 HB2 LYS 52 HB2 LYS 52 -16.439 -18.609 19.561 412 HB3 LYS 52 HB1 LYS 52 -16.301 -20.119 18.668 413 HG2 LYS 52 HG2 LYS 52 -14.893 -21.052 20.492 414 HG3 LYS 52 HG1 LYS 52 -15.104 -19.557 21.399 415 HD2 LYS 52 HD2 LYS 52 -17.547 -21.043 20.424 416 HD3 LYS 52 HD1 LYS 52 -16.705 -21.617 21.861 417 HE2 LYS 52 HE2 LYS 52 -17.645 -18.758 21.505 418 HE3 LYS 52 HE1 LYS 52 -18.565 -19.994 22.351 419 HZ1 LYS 52 HZ1 LYS 52 -17.119 -18.565 23.776 420 HZ2 LYS 52 HZ2 LYS 52 -15.770 -19.288 23.046 421 HZ3 LYS 52 HZ3 LYS 52 -16.859 -20.230 23.948 422 H LYS 53 HN LYS 53 -15.537 -16.812 18.047 423 HA LYS 53 HA LYS 53 -16.196 -17.419 15.383 424 HB2 LYS 53 HB2 LYS 53 -15.717 -14.774 16.762 425 HB3 LYS 53 HB1 LYS 53 -16.346 -14.912 15.128 426 HG2 LYS 53 HG2 LYS 53 -18.268 -16.161 15.922 427 HG3 LYS 53 HG1 LYS 53 -17.615 -16.198 17.559 428 HD2 LYS 53 HD2 LYS 53 -17.680 -13.681 17.566 429 HD3 LYS 53 HD1 LYS 53 -18.508 -13.749 16.009 430 HE2 LYS 53 HE2 LYS 53 -19.504 -15.142 18.501 431 HE3 LYS 53 HE1 LYS 53 -20.052 -13.547 17.988 432 HZ1 LYS 53 HZ1 LYS 53 -21.513 -15.355 17.225 433 HZ2 LYS 53 HZ2 LYS 53 -20.222 -16.006 16.332 434 HZ3 LYS 53 HZ3 LYS 53 -20.844 -14.475 15.938 435 H ILE 54 HN ILE 54 -13.410 -15.653 16.711 436 HA ILE 54 HA ILE 54 -12.165 -15.153 14.221 437 HB ILE 54 HB ILE 54 -11.027 -15.314 17.020 438 HG12 ILE 54 HG12 ILE 54 -11.622 -12.908 15.272 439 HG13 ILE 54 HG11 ILE 54 -12.760 -13.534 16.459 440 HG21 ILE 54 HG21 ILE 54 -9.790 -14.559 14.367 441 HG22 ILE 54 HG22 ILE 54 -9.151 -15.629 15.605 442 HG23 ILE 54 HG23 ILE 54 -9.177 -13.879 15.875 443 HD11 ILE 54 HD11 ILE 54 -11.049 -13.243 18.233 444 HD12 ILE 54 HD12 ILE 54 -11.434 -11.714 17.440 445 HD13 ILE 54 HD13 ILE 54 -9.944 -12.566 17.036 446 H ASN 55 HN ASN 55 -11.769 -17.730 16.623 447 HA ASN 55 HA ASN 55 -9.658 -19.075 15.330 448 HB2 ASN 55 HB2 ASN 55 -11.752 -19.910 17.325 449 HB3 ASN 55 HB1 ASN 55 -10.639 -21.099 16.653 450 HD21 ASN 55 HD21 ASN 55 -8.201 -20.136 16.665 451 HD22 ASN 55 HD22 ASN 55 -7.741 -19.456 18.152 452 H ASP 56 HN ASP 56 -13.164 -19.299 15.022 453 HA ASP 56 HA ASP 56 -13.334 -21.613 13.462 454 HB2 ASP 56 HB2 ASP 56 -15.295 -20.486 14.439 455 HB3 ASP 56 HB1 ASP 56 -15.069 -19.132 13.333 456 H TYR 57 HN TYR 57 -12.972 -18.218 12.456 457 HA TYR 57 HA TYR 57 -13.012 -18.655 9.684 458 HB2 TYR 57 HB2 TYR 57 -11.743 -16.525 11.405 459 HB3 TYR 57 HB1 TYR 57 -11.609 -16.489 9.648 460 HD1 TYR 57 HD1 TYR 57 -13.923 -16.940 8.370 461 HD2 TYR 57 HD2 TYR 57 -13.559 -15.391 12.358 462 HE1 TYR 57 HE1 TYR 57 -16.192 -15.957 8.198 463 HE2 TYR 57 HE2 TYR 57 -15.825 -14.412 12.190 464 HH TYR 57 HH TYR 57 -17.321 -13.647 9.851 465 H ILE 58 HN ILE 58 -10.338 -18.720 12.003 466 HA ILE 58 HA ILE 58 -8.250 -19.020 10.128 467 HB ILE 58 HB ILE 58 -8.487 -19.935 13.000 468 HG12 ILE 58 HG12 ILE 58 -6.995 -17.584 11.781 469 HG13 ILE 58 HG11 ILE 58 -8.617 -17.457 12.483 470 HG21 ILE 58 HG21 ILE 58 -6.747 -21.259 12.011 471 HG22 ILE 58 HG22 ILE 58 -5.935 -19.939 12.844 472 HG23 ILE 58 HG23 ILE 58 -6.136 -19.884 11.093 473 HD11 ILE 58 HD11 ILE 58 -6.005 -18.052 13.858 474 HD12 ILE 58 HD12 ILE 58 -7.517 -18.578 14.587 475 HD13 ILE 58 HD13 ILE 58 -7.236 -16.871 14.288 476 H ALA 59 HN ALA 59 -10.208 -21.412 11.886 477 HA ALA 59 HA ALA 59 -8.883 -23.705 10.890 478 HB1 ALA 59 HB1 ALA 59 -11.018 -24.881 11.535 479 HB2 ALA 59 HB2 ALA 59 -11.690 -23.302 11.941 480 HB3 ALA 59 HB3 ALA 59 -10.293 -23.919 12.823 481 H GLU 60 HN GLU 60 -11.626 -21.820 9.708 482 HA GLU 60 HA GLU 60 -12.233 -23.603 7.548 483 HB2 GLU 60 HB2 GLU 60 -13.014 -20.729 8.084 484 HB3 GLU 60 HB1 GLU 60 -13.637 -21.687 6.741 485 HG2 GLU 60 HG2 GLU 60 -13.855 -22.513 9.647 486 HG3 GLU 60 HG1 GLU 60 -15.136 -21.684 8.761 487 H HIS 61 HN HIS 61 -10.366 -20.627 7.895 488 HA HIS 61 HA HIS 61 -9.158 -21.140 5.236 489 HB2 HIS 61 HB2 HIS 61 -9.891 -18.400 6.249 490 HB3 HIS 61 HB1 HIS 61 -9.255 -18.832 4.662 491 HD2 HIS 61 HD2 HIS 61 -12.590 -17.939 5.940 492 HE1 HIS 61 HE1 HIS 61 -13.424 -20.999 3.154 493 HE2 HIS 61 HE2 HIS 61 -14.442 -19.126 4.533 494 HA PRO 62 HA PRO 62 -6.048 -20.391 8.654 495 HB2 PRO 62 HB2 PRO 62 -4.663 -22.748 8.331 496 HB3 PRO 62 HB1 PRO 62 -6.055 -22.574 9.415 497 HG2 PRO 62 HG2 PRO 62 -5.923 -23.750 6.675 498 HG3 PRO 62 HG1 PRO 62 -6.855 -24.281 8.088 499 HD2 PRO 62 HD2 PRO 62 -7.944 -22.871 6.005 500 HD3 PRO 62 HD1 PRO 62 -8.588 -22.803 7.655 501 H THR 63 HN THR 63 -5.976 -21.262 5.307 502 HA THR 63 HA THR 63 -3.145 -20.669 4.955 503 HB THR 63 HB THR 63 -3.772 -22.287 3.417 504 HG1 THR 63 HG1 THR 63 -3.573 -21.300 1.529 505 HG21 THR 63 HG21 THR 63 -6.095 -22.470 3.871 506 HG22 THR 63 HG22 THR 63 -5.996 -22.079 2.154 507 HG23 THR 63 HG23 THR 63 -6.413 -20.824 3.321 508 H SER 64 HN SER 64 -6.167 -19.002 4.854 509 HA SER 64 HA SER 64 -5.515 -16.904 3.077 510 HB2 SER 64 HB2 SER 64 -7.446 -17.121 5.383 511 HB3 SER 64 HB1 SER 64 -7.280 -15.638 4.446 512 HG SER 64 HG SER 64 -7.614 -18.112 3.150 513 H GLY 65 HN GLY 65 -4.635 -14.880 3.412 514 HA2 GLY 65 HA2 GLY 65 -2.836 -14.657 5.704 515 HA3 GLY 65 HA1 GLY 65 -2.847 -13.629 4.280 516 H ARG 66 HN ARG 66 -5.894 -13.473 4.683 517 HA ARG 66 HA ARG 66 -5.909 -10.981 6.042 518 HB2 ARG 66 HB2 ARG 66 -8.079 -12.828 5.056 519 HB3 ARG 66 HB1 ARG 66 -8.467 -11.354 5.938 520 HG2 ARG 66 HG2 ARG 66 -8.501 -10.883 3.546 521 HG3 ARG 66 HG1 ARG 66 -7.135 -10.047 4.282 522 HD2 ARG 66 HD2 ARG 66 -6.635 -11.282 2.109 523 HD3 ARG 66 HD1 ARG 66 -5.579 -11.649 3.456 524 HE ARG 66 HE ARG 66 -6.518 -13.803 3.570 525 HH11 ARG 66 HH21 ARG 66 -8.215 -11.728 1.383 526 HH12 ARG 66 HH22 ARG 66 -9.141 -13.005 0.670 527 HH21 ARG 66 HH11 ARG 66 -7.729 -15.485 2.641 528 HH22 ARG 66 HH12 ARG 66 -8.866 -15.134 1.383 529 H ASN 67 HN ASN 67 -6.725 -14.265 7.008 530 HA ASN 67 HA ASN 67 -7.940 -13.633 9.475 531 HB2 ASN 67 HB2 ASN 67 -7.497 -15.985 10.062 532 HB3 ASN 67 HB1 ASN 67 -8.150 -15.841 8.430 533 HD21 ASN 67 HD21 ASN 67 -6.974 -18.105 8.364 534 HD22 ASN 67 HD22 ASN 67 -5.353 -18.079 7.864 535 H GLN 68 HN GLN 68 -4.665 -13.560 8.460 536 HA GLN 68 HA GLN 68 -3.315 -14.085 10.866 537 HB2 GLN 68 HB2 GLN 68 -2.571 -12.195 8.624 538 HB3 GLN 68 HB1 GLN 68 -1.479 -12.742 9.885 539 HG2 GLN 68 HG2 GLN 68 -2.955 -14.612 8.021 540 HG3 GLN 68 HG1 GLN 68 -1.299 -14.069 7.754 541 HE21 GLN 68 HE21 GLN 68 -2.830 -16.733 8.779 542 HE22 GLN 68 HE22 GLN 68 -1.775 -17.260 10.000 543 H ALA 69 HN ALA 69 -4.674 -11.073 9.571 544 HA ALA 69 HA ALA 69 -3.798 -9.489 11.811 545 HB1 ALA 69 HB1 ALA 69 -5.754 -8.952 9.569 546 HB2 ALA 69 HB2 ALA 69 -4.092 -8.379 9.697 547 HB3 ALA 69 HB3 ALA 69 -5.323 -7.762 10.798 548 H LEU 70 HN LEU 70 -6.648 -11.320 10.966 549 HA LEU 70 HA LEU 70 -8.386 -10.174 12.892 550 HB2 LEU 70 HB2 LEU 70 -9.134 -11.498 10.902 551 HB3 LEU 70 HB1 LEU 70 -8.526 -12.946 11.693 552 HG LEU 70 HG LEU 70 -10.019 -12.387 13.663 553 HD11 LEU 70 HD11 LEU 70 -12.011 -10.868 12.852 554 HD12 LEU 70 HD12 LEU 70 -10.804 -10.184 11.775 555 HD13 LEU 70 HD13 LEU 70 -10.565 -10.132 13.520 556 HD21 LEU 70 HD21 LEU 70 -10.715 -14.099 12.097 557 HD22 LEU 70 HD22 LEU 70 -11.263 -12.879 10.949 558 HD23 LEU 70 HD23 LEU 70 -12.118 -13.099 12.475 559 H THR 71 HN THR 71 -6.191 -12.929 12.911 560 HA THR 71 HA THR 71 -6.964 -14.011 15.398 561 HB THR 71 HB THR 71 -4.221 -14.148 14.151 562 HG1 THR 71 HG1 THR 71 -4.993 -15.711 12.884 563 HG21 THR 71 HG21 THR 71 -4.372 -15.003 16.451 564 HG22 THR 71 HG22 THR 71 -4.161 -16.333 15.317 565 HG23 THR 71 HG23 THR 71 -5.752 -16.001 15.998 566 H GLN 72 HN GLN 72 -5.113 -11.242 14.569 567 HA GLN 72 HA GLN 72 -3.589 -11.053 16.973 568 HB2 GLN 72 HB2 GLN 72 -4.339 -9.050 14.862 569 HB3 GLN 72 HB1 GLN 72 -3.302 -8.655 16.229 570 HG2 GLN 72 HG2 GLN 72 -1.719 -10.409 15.565 571 HG3 GLN 72 HG1 GLN 72 -2.766 -10.863 14.225 572 HE21 GLN 72 HE21 GLN 72 -1.705 -10.152 12.357 573 HE22 GLN 72 HE22 GLN 72 -1.062 -8.594 12.151 574 H LEU 73 HN LEU 73 -6.836 -10.266 16.122 575 HA LEU 73 HA LEU 73 -7.363 -8.211 17.957 576 HB2 LEU 73 HB2 LEU 73 -9.065 -10.325 16.643 577 HB3 LEU 73 HB1 LEU 73 -9.778 -9.245 17.823 578 HG LEU 73 HG LEU 73 -9.969 -8.454 15.423 579 HD11 LEU 73 HD11 LEU 73 -8.292 -6.411 16.800 580 HD12 LEU 73 HD12 LEU 73 -9.695 -6.985 17.691 581 HD13 LEU 73 HD13 LEU 73 -9.895 -6.274 16.102 582 HD21 LEU 73 HD21 LEU 73 -7.594 -9.279 14.881 583 HD22 LEU 73 HD22 LEU 73 -7.023 -7.822 15.686 584 HD23 LEU 73 HD23 LEU 73 -8.033 -7.697 14.252 585 H LYS 74 HN LYS 74 -7.732 -11.713 18.332 586 HA LYS 74 HA LYS 74 -8.673 -11.613 20.993 587 HB2 LYS 74 HB2 LYS 74 -7.819 -14.025 21.049 588 HB3 LYS 74 HB1 LYS 74 -9.022 -13.633 19.819 589 HG2 LYS 74 HG2 LYS 74 -7.388 -13.527 18.099 590 HG3 LYS 74 HG1 LYS 74 -6.069 -13.495 19.262 591 HD2 LYS 74 HD2 LYS 74 -6.249 -15.723 18.260 592 HD3 LYS 74 HD1 LYS 74 -6.637 -15.785 19.978 593 HE2 LYS 74 HE2 LYS 74 -8.963 -15.953 19.565 594 HE3 LYS 74 HE1 LYS 74 -8.789 -15.424 17.893 595 HZ1 LYS 74 HZ1 LYS 74 -8.711 -18.030 18.912 596 HZ2 LYS 74 HZ2 LYS 74 -7.183 -17.675 18.260 597 HZ3 LYS 74 HZ3 LYS 74 -8.575 -17.527 17.299 598 H GLU 75 HN GLU 75 -5.445 -11.664 19.609 599 HA GLU 75 HA GLU 75 -4.016 -12.231 21.974 600 HB2 GLU 75 HB2 GLU 75 -3.239 -10.724 19.468 601 HB3 GLU 75 HB1 GLU 75 -2.101 -11.125 20.753 602 HG2 GLU 75 HG2 GLU 75 -3.784 -13.170 19.289 603 HG3 GLU 75 HG1 GLU 75 -2.121 -12.790 18.870 604 H GLN 76 HN GLN 76 -4.874 -9.136 20.446 605 HA GLN 76 HA GLN 76 -3.651 -7.503 22.408 606 HB2 GLN 76 HB2 GLN 76 -4.389 -6.784 20.098 607 HB3 GLN 76 HB1 GLN 76 -6.043 -6.771 20.710 608 HG2 GLN 76 HG2 GLN 76 -5.197 -4.528 20.917 609 HG3 GLN 76 HG1 GLN 76 -5.257 -5.209 22.538 610 HE21 GLN 76 HE21 GLN 76 -2.876 -5.272 19.812 611 HE22 GLN 76 HE22 GLN 76 -1.539 -4.901 20.791 612 H VAL 77 HN VAL 77 -6.970 -8.701 22.033 613 HA VAL 77 HA VAL 77 -8.108 -7.327 24.206 614 HB VAL 77 HB VAL 77 -8.829 -9.989 22.961 615 HG11 VAL 77 HG11 VAL 77 -9.845 -10.028 25.104 616 HG12 VAL 77 HG12 VAL 77 -11.104 -9.403 24.038 617 HG13 VAL 77 HG13 VAL 77 -10.192 -8.299 25.066 618 HG21 VAL 77 HG21 VAL 77 -10.224 -7.319 22.680 619 HG22 VAL 77 HG22 VAL 77 -10.383 -8.748 21.658 620 HG23 VAL 77 HG23 VAL 77 -8.906 -7.788 21.609 621 H THR 78 HN THR 78 -6.632 -10.557 24.023 622 HA THR 78 HA THR 78 -7.082 -11.337 26.677 623 HB THR 78 HB THR 78 -5.010 -12.785 26.292 624 HG1 THR 78 HG1 THR 78 -5.040 -12.371 23.637 625 HG21 THR 78 HG21 THR 78 -6.186 -14.001 24.326 626 HG22 THR 78 HG22 THR 78 -7.417 -12.747 24.477 627 HG23 THR 78 HG23 THR 78 -7.074 -13.816 25.838 628 H SER 79 HN SER 79 -4.447 -9.468 25.229 629 HA SER 79 HA SER 79 -2.803 -9.335 27.522 630 HB2 SER 79 HB2 SER 79 -2.014 -8.745 25.262 631 HB3 SER 79 HB1 SER 79 -3.079 -7.342 25.259 632 HG SER 79 HG SER 79 -1.837 -7.031 27.436 633 H ALA 80 HN ALA 80 -5.407 -7.240 26.340 634 HA ALA 80 HA ALA 80 -5.154 -5.208 28.265 635 HB1 ALA 80 HB1 ALA 80 -7.633 -6.163 26.832 636 HB2 ALA 80 HB2 ALA 80 -6.506 -4.945 26.237 637 HB3 ALA 80 HB3 ALA 80 -7.469 -4.626 27.680 638 H LEU 81 HN LEU 81 -6.980 -8.234 28.279 639 HA LEU 81 HA LEU 81 -8.330 -7.773 30.735 640 HB2 LEU 81 HB2 LEU 81 -7.593 -10.351 29.336 641 HB3 LEU 81 HB1 LEU 81 -8.698 -10.236 30.699 642 HG LEU 81 HG LEU 81 -9.056 -8.708 28.104 643 HD11 LEU 81 HD11 LEU 81 -9.238 -11.094 27.617 644 HD12 LEU 81 HD12 LEU 81 -10.865 -10.411 27.657 645 HD13 LEU 81 HD13 LEU 81 -10.266 -11.343 29.028 646 HD21 LEU 81 HD21 LEU 81 -10.659 -9.044 30.645 647 HD22 LEU 81 HD22 LEU 81 -11.507 -8.782 29.127 648 HD23 LEU 81 HD23 LEU 81 -10.352 -7.592 29.698 649 H GLY 82 HN GLY 82 -5.177 -9.073 29.928 650 HA2 GLY 82 HA2 GLY 82 -3.322 -9.267 31.305 651 HA3 GLY 82 HA1 GLY 82 -4.307 -8.741 32.665 652 H LEU 83 HN LEU 83 -4.386 -11.515 30.414 653 HA LEU 83 HA LEU 83 -5.360 -13.332 32.360 654 HB2 LEU 83 HB2 LEU 83 -4.178 -13.562 29.615 655 HB3 LEU 83 HB1 LEU 83 -4.304 -15.031 30.584 656 HG LEU 83 HG LEU 83 -6.704 -14.628 30.910 657 HD11 LEU 83 HD11 LEU 83 -6.113 -12.163 29.275 658 HD12 LEU 83 HD12 LEU 83 -6.847 -12.246 30.874 659 HD13 LEU 83 HD13 LEU 83 -7.742 -12.803 29.461 660 HD21 LEU 83 HD21 LEU 83 -5.816 -15.863 28.891 661 HD22 LEU 83 HD22 LEU 83 -5.996 -14.365 27.978 662 HD23 LEU 83 HD23 LEU 83 -7.415 -15.152 28.668 663 H GLU 84 HN GLU 84 -2.108 -12.491 31.278 664 HA GLU 84 HA GLU 84 -0.976 -14.381 33.264 665 HB2 GLU 84 HB2 GLU 84 -0.185 -14.511 30.881 666 HB3 GLU 84 HB1 GLU 84 0.458 -12.878 31.061 667 HG2 GLU 84 HG2 GLU 84 2.266 -14.398 31.519 668 HG3 GLU 84 HG1 GLU 84 1.769 -13.721 33.063 669 H HIS 85 HN HIS 85 -0.364 -13.571 35.141 670 HA HIS 85 HA HIS 85 -0.300 -10.763 35.664 671 HB2 HIS 85 HB2 HIS 85 0.643 -13.105 37.335 672 HB3 HIS 85 HB1 HIS 85 0.485 -11.446 37.913 673 HD2 HIS 85 HD2 HIS 85 -1.684 -14.559 37.645 674 HE1 HIS 85 HE1 HIS 85 -4.379 -11.325 37.959 675 HE2 HIS 85 HE2 HIS 85 -4.167 -13.853 38.047 676 H HIS 86 HN HIS 86 1.441 -9.420 36.060 677 HA HIS 86 HA HIS 86 4.047 -10.391 35.018 678 HB2 HIS 86 HB2 HIS 86 2.961 -7.574 35.271 679 HB3 HIS 86 HB1 HIS 86 4.538 -8.016 34.618 680 HD2 HIS 86 HD2 HIS 86 0.853 -7.814 33.453 681 HE1 HIS 86 HE1 HIS 86 3.017 -9.704 30.361 682 HE2 HIS 86 HE2 HIS 86 0.787 -8.661 30.984 683 H HIS 87 HN HIS 87 5.685 -10.614 36.380 684 HA HIS 87 HA HIS 87 6.932 -10.563 38.311 685 HB2 HIS 87 HB2 HIS 87 5.742 -7.784 38.506 686 HB3 HIS 87 HB1 HIS 87 7.150 -8.367 39.394 687 HD2 HIS 87 HD2 HIS 87 9.523 -8.605 37.846 688 HE1 HIS 87 HE1 HIS 87 7.899 -6.986 34.300 689 HE2 HIS 87 HE2 HIS 87 10.044 -7.726 35.443 690 H HIS 88 HN HIS 88 6.134 -12.017 39.727 691 HA HIS 88 HA HIS 88 3.618 -11.642 41.085 692 HB2 HIS 88 HB2 HIS 88 5.832 -13.674 41.440 693 HB3 HIS 88 HB1 HIS 88 4.297 -13.717 42.308 694 HD2 HIS 88 HD2 HIS 88 2.029 -14.369 40.683 695 HE1 HIS 88 HE1 HIS 88 4.272 -15.391 37.256 696 HE2 HIS 88 HE2 HIS 88 1.962 -15.455 38.309 697 H HIS 89 HN HIS 89 3.280 -10.607 42.942 698 HA HIS 89 HA HIS 89 5.539 -10.212 44.817 699 HB2 HIS 89 HB2 HIS 89 5.282 -8.158 43.464 700 HB3 HIS 89 HB1 HIS 89 3.590 -8.058 43.956 701 HD2 HIS 89 HD2 HIS 89 7.154 -7.459 45.491 702 HE1 HIS 89 HE1 HIS 89 4.282 -6.304 48.361 703 HE2 HIS 89 HE2 HIS 89 6.760 -6.313 47.804 704 H HIS 90 HN HIS 90 4.957 -11.209 46.621 705 HA HIS 90 HA HIS 90 3.625 -12.096 48.288 706 HB2 HIS 90 HB2 HIS 90 2.637 -9.252 48.025 707 HB3 HIS 90 HB1 HIS 90 2.115 -10.328 49.322 708 HD2 HIS 90 HD2 HIS 90 3.974 -10.651 51.388 709 HE1 HIS 90 HE1 HIS 90 7.128 -8.485 49.605 710 HE2 HIS 90 HE2 HIS 90 6.362 -9.651 51.727 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -6.237 7.388 15.019 2 H2 MET 1 HT2 MET 1 -6.472 7.444 16.701 3 H3 MET 1 HT3 MET 1 -7.353 6.342 15.753 4 HA MET 1 HA MET 1 -5.646 4.890 15.552 5 HB2 MET 1 HB2 MET 1 -4.211 6.555 14.402 6 HB3 MET 1 HB1 MET 1 -3.756 7.227 15.969 7 HG2 MET 1 HG2 MET 1 -2.766 5.092 16.635 8 HG3 MET 1 HG1 MET 1 -3.292 4.352 15.124 9 HE1 MET 1 HE1 MET 1 -1.616 8.099 15.582 10 HE2 MET 1 HE2 MET 1 -0.019 7.420 15.883 11 HE3 MET 1 HE3 MET 1 -1.376 6.951 16.905 12 H GLY 2 HN GLY 2 -4.686 3.626 17.155 13 HA2 GLY 2 HA2 GLY 2 -3.750 4.441 19.643 14 HA3 GLY 2 HA1 GLY 2 -5.479 4.164 19.829 15 H GLN 3 HN GLN 3 -4.555 2.500 21.358 16 HA GLN 3 HA GLN 3 -3.203 0.203 20.418 17 HB2 GLN 3 HB2 GLN 3 -5.069 0.534 22.781 18 HB3 GLN 3 HB1 GLN 3 -4.010 -0.850 22.514 19 HG2 GLN 3 HG2 GLN 3 -3.056 2.017 22.754 20 HG3 GLN 3 HG1 GLN 3 -3.024 0.843 24.067 21 HE21 GLN 3 HE21 GLN 3 -0.966 2.216 21.940 22 HE22 GLN 3 HE22 GLN 3 0.092 0.921 21.654 23 H ILE 4 HN ILE 4 -6.639 0.992 20.716 24 HA ILE 4 HA ILE 4 -7.435 -1.623 19.695 25 HB ILE 4 HB ILE 4 -9.206 0.708 20.257 26 HG12 ILE 4 HG12 ILE 4 -7.915 0.376 22.272 27 HG13 ILE 4 HG11 ILE 4 -9.507 -0.335 22.528 28 HG21 ILE 4 HG21 ILE 4 -10.196 -1.168 19.019 29 HG22 ILE 4 HG22 ILE 4 -10.878 -1.065 20.643 30 HG23 ILE 4 HG23 ILE 4 -9.656 -2.283 20.276 31 HD11 ILE 4 HD11 ILE 4 -7.997 -1.973 23.329 32 HD12 ILE 4 HD12 ILE 4 -6.896 -1.744 21.971 33 HD13 ILE 4 HD13 ILE 4 -8.445 -2.550 21.724 34 H PHE 5 HN PHE 5 -7.907 -2.050 17.630 35 HA PHE 5 HA PHE 5 -7.416 -0.103 15.601 36 HB2 PHE 5 HB2 PHE 5 -8.486 -2.924 15.600 37 HB3 PHE 5 HB1 PHE 5 -8.424 -1.972 14.117 38 HD1 PHE 5 HD2 PHE 5 -6.105 -0.709 13.721 39 HD2 PHE 5 HD1 PHE 5 -6.605 -4.225 16.137 40 HE1 PHE 5 HE2 PHE 5 -3.695 -1.229 13.465 41 HE2 PHE 5 HE1 PHE 5 -4.195 -4.745 15.879 42 HZ PHE 5 HZ PHE 5 -2.739 -3.247 14.544 43 H THR 6 HN THR 6 -8.776 1.180 14.505 44 HA THR 6 HA THR 6 -11.462 1.528 15.496 45 HB THR 6 HB THR 6 -10.259 2.858 13.070 46 HG1 THR 6 HG1 THR 6 -8.900 3.760 14.367 47 HG21 THR 6 HG21 THR 6 -12.668 3.194 13.513 48 HG22 THR 6 HG22 THR 6 -11.757 4.687 13.740 49 HG23 THR 6 HG23 THR 6 -12.283 3.753 15.141 50 H VAL 7 HN VAL 7 -13.386 1.299 14.295 51 HA VAL 7 HA VAL 7 -13.545 -1.006 12.683 52 HB VAL 7 HB VAL 7 -15.482 1.285 13.080 53 HG11 VAL 7 HG11 VAL 7 -16.144 0.308 11.011 54 HG12 VAL 7 HG12 VAL 7 -17.156 -0.479 12.223 55 HG13 VAL 7 HG13 VAL 7 -15.751 -1.320 11.567 56 HG21 VAL 7 HG21 VAL 7 -15.457 -1.548 14.163 57 HG22 VAL 7 HG22 VAL 7 -16.587 -0.265 14.598 58 HG23 VAL 7 HG23 VAL 7 -14.889 -0.138 15.058 59 H GLN 8 HN GLN 8 -13.647 2.448 11.833 60 HA GLN 8 HA GLN 8 -14.045 2.166 9.082 61 HB2 GLN 8 HB2 GLN 8 -12.611 4.291 10.673 62 HB3 GLN 8 HB1 GLN 8 -12.896 4.415 8.936 63 HG2 GLN 8 HG2 GLN 8 -15.308 4.213 9.284 64 HG3 GLN 8 HG1 GLN 8 -15.060 4.002 11.018 65 HE21 GLN 8 HE21 GLN 8 -16.626 6.094 10.688 66 HE22 GLN 8 HE22 GLN 8 -15.801 7.577 10.718 67 H GLU 9 HN GLU 9 -11.047 2.140 10.965 68 HA GLU 9 HA GLU 9 -9.282 2.105 8.745 69 HB2 GLU 9 HB2 GLU 9 -8.590 2.639 11.070 70 HB3 GLU 9 HB1 GLU 9 -8.861 0.953 11.512 71 HG2 GLU 9 HG2 GLU 9 -7.170 0.228 9.894 72 HG3 GLU 9 HG1 GLU 9 -6.927 1.896 9.375 73 H LEU 10 HN LEU 10 -10.639 -0.493 10.763 74 HA LEU 10 HA LEU 10 -9.404 -2.593 9.279 75 HB2 LEU 10 HB2 LEU 10 -10.351 -2.647 11.706 76 HB3 LEU 10 HB1 LEU 10 -11.902 -2.949 10.926 77 HG LEU 10 HG LEU 10 -10.571 -4.814 9.610 78 HD11 LEU 10 HD11 LEU 10 -8.333 -4.286 10.393 79 HD12 LEU 10 HD12 LEU 10 -8.806 -5.834 11.086 80 HD13 LEU 10 HD13 LEU 10 -8.854 -4.378 12.076 81 HD21 LEU 10 HD21 LEU 10 -11.317 -5.076 12.540 82 HD22 LEU 10 HD22 LEU 10 -11.073 -6.432 11.440 83 HD23 LEU 10 HD23 LEU 10 -12.396 -5.300 11.164 84 H LYS 11 HN LYS 11 -12.244 -0.687 8.839 85 HA LYS 11 HA LYS 11 -13.882 -2.431 7.399 86 HB2 LYS 11 HB2 LYS 11 -14.292 0.017 8.210 87 HB3 LYS 11 HB1 LYS 11 -13.628 0.480 6.647 88 HG2 LYS 11 HG2 LYS 11 -15.333 -0.831 5.499 89 HG3 LYS 11 HG1 LYS 11 -15.950 -1.429 7.039 90 HD2 LYS 11 HD2 LYS 11 -16.406 0.960 7.694 91 HD3 LYS 11 HD1 LYS 11 -15.992 1.427 6.042 92 HE2 LYS 11 HE2 LYS 11 -18.173 -0.528 6.821 93 HE3 LYS 11 HE1 LYS 11 -18.431 1.136 6.298 94 HZ1 LYS 11 HZ1 LYS 11 -18.634 -0.668 4.548 95 HZ2 LYS 11 HZ2 LYS 11 -16.943 -0.808 4.639 96 HZ3 LYS 11 HZ3 LYS 11 -17.652 0.661 4.162 97 H GLU 12 HN GLU 12 -11.297 -0.280 6.241 98 HA GLU 12 HA GLU 12 -11.580 -0.931 3.496 99 HB2 GLU 12 HB2 GLU 12 -10.387 1.078 4.319 100 HB3 GLU 12 HB1 GLU 12 -9.118 0.039 4.967 101 HG2 GLU 12 HG2 GLU 12 -8.625 -0.808 2.721 102 HG3 GLU 12 HG1 GLU 12 -9.941 0.154 2.051 103 H ARG 13 HN ARG 13 -9.455 -2.182 6.053 104 HA ARG 13 HA ARG 13 -8.125 -4.054 4.346 105 HB2 ARG 13 HB2 ARG 13 -8.329 -3.804 7.350 106 HB3 ARG 13 HB1 ARG 13 -7.371 -5.049 6.547 107 HG2 ARG 13 HG2 ARG 13 -6.076 -3.315 5.375 108 HG3 ARG 13 HG1 ARG 13 -7.043 -2.060 6.149 109 HD2 ARG 13 HD2 ARG 13 -6.270 -2.808 8.360 110 HD3 ARG 13 HD1 ARG 13 -5.327 -4.090 7.606 111 HE ARG 13 HE ARG 13 -4.641 -1.495 6.582 112 HH11 ARG 13 HH21 ARG 13 -4.229 -3.723 9.197 113 HH12 ARG 13 HH22 ARG 13 -2.670 -3.121 9.648 114 HH21 ARG 13 HH11 ARG 13 -2.593 -0.700 7.166 115 HH22 ARG 13 HH12 ARG 13 -1.743 -1.410 8.498 116 H ALA 14 HN ALA 14 -11.105 -4.043 6.097 117 HA ALA 14 HA ALA 14 -11.415 -6.884 6.284 118 HB1 ALA 14 HB1 ALA 14 -13.854 -6.249 6.680 119 HB2 ALA 14 HB2 ALA 14 -13.332 -4.570 6.533 120 HB3 ALA 14 HB3 ALA 14 -12.683 -5.586 7.821 121 H LYS 15 HN LYS 15 -11.618 -4.681 3.738 122 HA LYS 15 HA LYS 15 -13.700 -5.791 2.201 123 HB2 LYS 15 HB2 LYS 15 -11.181 -4.318 1.435 124 HB3 LYS 15 HB1 LYS 15 -12.433 -4.740 0.272 125 HG2 LYS 15 HG2 LYS 15 -13.070 -3.188 2.777 126 HG3 LYS 15 HG1 LYS 15 -12.511 -2.380 1.315 127 HD2 LYS 15 HD2 LYS 15 -14.387 -3.449 0.057 128 HD3 LYS 15 HD1 LYS 15 -14.988 -4.114 1.574 129 HE2 LYS 15 HE2 LYS 15 -15.158 -1.845 2.505 130 HE3 LYS 15 HE1 LYS 15 -14.600 -1.184 0.970 131 HZ1 LYS 15 HZ1 LYS 15 -17.200 -1.963 1.700 132 HZ2 LYS 15 HZ2 LYS 15 -16.678 -2.944 0.414 133 HZ3 LYS 15 HZ3 LYS 15 -16.677 -1.252 0.252 134 H VAL 16 HN VAL 16 -10.235 -6.540 2.331 135 HA VAL 16 HA VAL 16 -9.007 -8.214 1.362 136 HB VAL 16 HB VAL 16 -10.155 -9.338 3.259 137 HG11 VAL 16 HG11 VAL 16 -12.461 -9.283 2.725 138 HG12 VAL 16 HG12 VAL 16 -12.007 -10.978 2.604 139 HG13 VAL 16 HG13 VAL 16 -12.202 -10.021 1.140 140 HG21 VAL 16 HG21 VAL 16 -8.561 -10.491 1.488 141 HG22 VAL 16 HG22 VAL 16 -10.021 -11.384 1.058 142 HG23 VAL 16 HG23 VAL 16 -9.390 -11.463 2.701 143 H PHE 17 HN PHE 17 -9.324 -10.317 -0.153 144 HA PHE 17 HA PHE 17 -10.645 -9.289 -2.591 145 HB2 PHE 17 HB2 PHE 17 -8.416 -11.305 -2.200 146 HB3 PHE 17 HB1 PHE 17 -9.173 -10.954 -3.754 147 HD1 PHE 17 HD2 PHE 17 -8.955 -8.730 -4.794 148 HD2 PHE 17 HD1 PHE 17 -6.935 -9.723 -1.138 149 HE1 PHE 17 HE2 PHE 17 -7.493 -6.745 -5.064 150 HE2 PHE 17 HE1 PHE 17 -5.473 -7.738 -1.406 151 HZ PHE 17 HZ PHE 17 -5.752 -6.249 -3.369 152 H ALA 18 HN ALA 18 -12.510 -10.183 -3.105 153 HA ALA 18 HA ALA 18 -14.239 -11.689 -3.272 154 HB1 ALA 18 HB1 ALA 18 -13.699 -13.936 -3.778 155 HB2 ALA 18 HB2 ALA 18 -12.186 -13.863 -2.874 156 HB3 ALA 18 HB3 ALA 18 -12.345 -12.991 -4.400 157 H LYS 19 HN LYS 19 -15.680 -11.921 -1.685 158 HA LYS 19 HA LYS 19 -15.033 -13.556 0.641 159 HB2 LYS 19 HB2 LYS 19 -14.314 -11.326 1.330 160 HB3 LYS 19 HB1 LYS 19 -15.911 -10.682 0.947 161 HG2 LYS 19 HG2 LYS 19 -16.854 -11.534 2.863 162 HG3 LYS 19 HG1 LYS 19 -15.993 -13.064 2.725 163 HD2 LYS 19 HD2 LYS 19 -13.980 -12.079 3.654 164 HD3 LYS 19 HD1 LYS 19 -14.727 -10.479 3.680 165 HE2 LYS 19 HE2 LYS 19 -14.781 -11.613 5.913 166 HE3 LYS 19 HE1 LYS 19 -16.387 -11.231 5.295 167 HZ1 LYS 19 HZ1 LYS 19 -16.000 -13.552 6.224 168 HZ2 LYS 19 HZ2 LYS 19 -15.131 -13.858 4.797 169 HZ3 LYS 19 HZ3 LYS 19 -16.775 -13.438 4.719 170 HA PRO 20 HA PRO 20 -19.305 -14.620 -0.612 171 HB2 PRO 20 HB2 PRO 20 -19.198 -16.078 2.007 172 HB3 PRO 20 HB1 PRO 20 -19.722 -16.660 0.414 173 HG2 PRO 20 HG2 PRO 20 -17.359 -17.353 1.456 174 HG3 PRO 20 HG1 PRO 20 -17.572 -17.087 -0.283 175 HD2 PRO 20 HD2 PRO 20 -16.204 -15.353 1.731 176 HD3 PRO 20 HD1 PRO 20 -15.882 -15.550 -0.006 177 H ILE 21 HN ILE 21 -21.290 -13.788 -0.071 178 HA ILE 21 HA ILE 21 -21.399 -11.702 1.903 179 HB ILE 21 HB ILE 21 -22.623 -11.598 -0.269 180 HG12 ILE 21 HG12 ILE 21 -24.499 -11.574 2.116 181 HG13 ILE 21 HG11 ILE 21 -23.306 -10.308 1.804 182 HG21 ILE 21 HG21 ILE 21 -23.274 -14.066 -0.159 183 HG22 ILE 21 HG22 ILE 21 -24.551 -12.959 -0.660 184 HG23 ILE 21 HG23 ILE 21 -24.525 -13.589 0.987 185 HD11 ILE 21 HD11 ILE 21 -25.400 -9.572 0.858 186 HD12 ILE 21 HD12 ILE 21 -25.628 -11.112 0.031 187 HD13 ILE 21 HD13 ILE 21 -24.344 -10.017 -0.482 188 H GLY 22 HN GLY 22 -22.315 -11.722 3.892 189 HA2 GLY 22 HA2 GLY 22 -24.047 -13.878 4.759 190 HA3 GLY 22 HA1 GLY 22 -22.449 -13.893 5.501 191 H ALA 23 HN ALA 23 -22.312 -10.909 5.326 192 HA ALA 23 HA ALA 23 -22.809 -9.073 6.612 193 HB1 ALA 23 HB1 ALA 23 -25.175 -9.719 5.760 194 HB2 ALA 23 HB2 ALA 23 -25.047 -8.636 7.146 195 HB3 ALA 23 HB3 ALA 23 -25.426 -10.342 7.390 196 H SER 24 HN SER 24 -22.534 -12.179 7.786 197 HA SER 24 HA SER 24 -22.956 -11.652 10.586 198 HB2 SER 24 HB2 SER 24 -21.949 -13.889 10.895 199 HB3 SER 24 HB1 SER 24 -23.236 -13.909 9.694 200 HG SER 24 HG SER 24 -21.566 -13.697 8.096 201 H TYR 25 HN TYR 25 -20.427 -11.098 8.350 202 HA TYR 25 HA TYR 25 -18.251 -11.189 10.239 203 HB2 TYR 25 HB2 TYR 25 -16.922 -10.235 8.430 204 HB3 TYR 25 HB1 TYR 25 -17.914 -11.555 7.810 205 HD1 TYR 25 HD1 TYR 25 -17.446 -7.901 7.894 206 HD2 TYR 25 HD2 TYR 25 -19.821 -11.130 6.350 207 HE1 TYR 25 HE1 TYR 25 -18.487 -6.353 6.259 208 HE2 TYR 25 HE2 TYR 25 -20.861 -9.582 4.715 209 HH TYR 25 HH TYR 25 -19.636 -6.419 4.143 210 H GLN 26 HN GLN 26 -20.620 -8.866 9.257 211 HA GLN 26 HA GLN 26 -19.254 -6.484 9.952 212 HB2 GLN 26 HB2 GLN 26 -21.349 -6.575 8.601 213 HB3 GLN 26 HB1 GLN 26 -22.233 -7.011 10.063 214 HG2 GLN 26 HG2 GLN 26 -21.525 -4.914 11.134 215 HG3 GLN 26 HG1 GLN 26 -20.604 -4.480 9.696 216 HE21 GLN 26 HE21 GLN 26 -23.119 -5.968 8.303 217 HE22 GLN 26 HE22 GLN 26 -24.216 -4.681 8.161 218 H GLY 27 HN GLY 27 -21.043 -8.852 11.811 219 HA2 GLY 27 HA2 GLY 27 -21.446 -7.371 14.174 220 HA3 GLY 27 HA1 GLY 27 -21.357 -9.127 14.073 221 H ILE 28 HN ILE 28 -18.657 -9.088 12.916 222 HA ILE 28 HA ILE 28 -17.164 -9.179 15.337 223 HB ILE 28 HB ILE 28 -16.140 -9.145 12.489 224 HG12 ILE 28 HG12 ILE 28 -16.854 -11.494 14.272 225 HG13 ILE 28 HG11 ILE 28 -17.866 -10.905 12.955 226 HG21 ILE 28 HG21 ILE 28 -14.393 -8.754 14.174 227 HG22 ILE 28 HG22 ILE 28 -14.224 -10.370 13.493 228 HG23 ILE 28 HG23 ILE 28 -14.943 -10.158 15.088 229 HD11 ILE 28 HD11 ILE 28 -15.117 -12.143 12.783 230 HD12 ILE 28 HD12 ILE 28 -15.807 -11.217 11.451 231 HD13 ILE 28 HD13 ILE 28 -16.607 -12.686 12.010 232 H LEU 29 HN LEU 29 -17.758 -6.704 12.972 233 HA LEU 29 HA LEU 29 -15.551 -5.025 13.925 234 HB2 LEU 29 HB2 LEU 29 -17.566 -4.839 11.693 235 HB3 LEU 29 HB1 LEU 29 -16.670 -3.407 12.201 236 HG LEU 29 HG LEU 29 -14.545 -4.630 11.848 237 HD11 LEU 29 HD11 LEU 29 -14.768 -6.794 10.481 238 HD12 LEU 29 HD12 LEU 29 -16.449 -6.822 11.013 239 HD13 LEU 29 HD13 LEU 29 -15.146 -6.903 12.199 240 HD21 LEU 29 HD21 LEU 29 -16.311 -4.816 9.392 241 HD22 LEU 29 HD22 LEU 29 -14.573 -4.517 9.441 242 HD23 LEU 29 HD23 LEU 29 -15.697 -3.287 10.021 243 H ASP 30 HN ASP 30 -19.042 -5.292 14.138 244 HA ASP 30 HA ASP 30 -19.588 -2.748 15.234 245 HB2 ASP 30 HB2 ASP 30 -21.005 -5.406 15.470 246 HB3 ASP 30 HB1 ASP 30 -21.626 -3.928 16.206 247 H GLN 31 HN GLN 31 -18.593 -5.802 16.711 248 HA GLN 31 HA GLN 31 -18.938 -5.007 19.405 249 HB2 GLN 31 HB2 GLN 31 -17.192 -7.092 18.105 250 HB3 GLN 31 HB1 GLN 31 -17.222 -6.847 19.853 251 HG2 GLN 31 HG2 GLN 31 -19.641 -7.233 19.878 252 HG3 GLN 31 HG1 GLN 31 -19.639 -7.457 18.128 253 HE21 GLN 31 HE21 GLN 31 -20.588 -9.678 19.072 254 HE22 GLN 31 HE22 GLN 31 -19.433 -10.896 19.324 255 H LEU 32 HN LEU 32 -16.367 -4.457 17.089 256 HA LEU 32 HA LEU 32 -14.310 -3.785 18.894 257 HB2 LEU 32 HB2 LEU 32 -14.868 -2.683 16.129 258 HB3 LEU 32 HB1 LEU 32 -13.341 -2.536 16.997 259 HG LEU 32 HG LEU 32 -14.656 -5.157 16.225 260 HD11 LEU 32 HD11 LEU 32 -13.690 -3.665 14.358 261 HD12 LEU 32 HD12 LEU 32 -13.089 -5.320 14.455 262 HD13 LEU 32 HD13 LEU 32 -12.115 -3.991 15.082 263 HD21 LEU 32 HD21 LEU 32 -12.159 -5.884 16.775 264 HD22 LEU 32 HD22 LEU 32 -13.345 -5.723 18.066 265 HD23 LEU 32 HD23 LEU 32 -12.180 -4.431 17.778 266 H ASP 33 HN ASP 33 -16.806 -1.783 17.332 267 HA ASP 33 HA ASP 33 -16.008 0.661 18.540 268 HB2 ASP 33 HB2 ASP 33 -17.444 0.653 16.577 269 HB3 ASP 33 HB1 ASP 33 -18.702 -0.204 17.467 270 H LEU 34 HN LEU 34 -18.377 -1.829 19.444 271 HA LEU 34 HA LEU 34 -19.416 -0.495 21.706 272 HB2 LEU 34 HB2 LEU 34 -20.557 -2.413 20.690 273 HB3 LEU 34 HB1 LEU 34 -19.215 -3.462 21.136 274 HG LEU 34 HG LEU 34 -19.645 -3.060 23.516 275 HD11 LEU 34 HD11 LEU 34 -21.942 -1.849 23.976 276 HD12 LEU 34 HD12 LEU 34 -21.633 -1.083 22.417 277 HD13 LEU 34 HD13 LEU 34 -20.484 -0.893 23.741 278 HD21 LEU 34 HD21 LEU 34 -20.821 -4.928 22.614 279 HD22 LEU 34 HD22 LEU 34 -22.018 -3.891 21.836 280 HD23 LEU 34 HD23 LEU 34 -21.995 -4.049 23.593 281 H VAL 35 HN VAL 35 -16.774 -2.852 21.347 282 HA VAL 35 HA VAL 35 -16.143 -3.196 24.045 283 HB VAL 35 HB VAL 35 -14.436 -3.259 21.554 284 HG11 VAL 35 HG11 VAL 35 -13.644 -3.696 24.439 285 HG12 VAL 35 HG12 VAL 35 -12.823 -2.731 23.210 286 HG13 VAL 35 HG13 VAL 35 -12.781 -4.492 23.120 287 HG21 VAL 35 HG21 VAL 35 -16.279 -5.018 22.213 288 HG22 VAL 35 HG22 VAL 35 -15.085 -5.557 23.393 289 HG23 VAL 35 HG23 VAL 35 -14.699 -5.586 21.674 290 H HIS 36 HN HIS 36 -15.649 -0.454 21.981 291 HA HIS 36 HA HIS 36 -13.593 0.754 23.612 292 HB2 HIS 36 HB2 HIS 36 -13.800 1.226 21.189 293 HB3 HIS 36 HB1 HIS 36 -15.360 1.990 21.488 294 HD2 HIS 36 HD2 HIS 36 -15.184 4.650 22.234 295 HE1 HIS 36 HE1 HIS 36 -11.043 4.738 23.048 296 HE2 HIS 36 HE2 HIS 36 -13.145 6.152 22.874 297 H GLN 37 HN GLN 37 -17.046 1.417 23.011 298 HA GLN 37 HA GLN 37 -17.139 3.245 25.295 299 HB2 GLN 37 HB2 GLN 37 -19.466 3.647 24.562 300 HB3 GLN 37 HB1 GLN 37 -18.307 3.913 23.260 301 HG2 GLN 37 HG2 GLN 37 -18.772 1.663 22.374 302 HG3 GLN 37 HG1 GLN 37 -19.920 1.380 23.681 303 HE21 GLN 37 HE21 GLN 37 -20.393 1.569 20.684 304 HE22 GLN 37 HE22 GLN 37 -21.581 2.771 20.514 305 H ALA 38 HN ALA 38 -17.089 0.033 25.100 306 HA ALA 38 HA ALA 38 -19.431 -0.759 26.520 307 HB1 ALA 38 HB1 ALA 38 -18.346 -2.505 25.375 308 HB2 ALA 38 HB2 ALA 38 -17.924 -2.808 27.059 309 HB3 ALA 38 HB3 ALA 38 -16.759 -2.038 25.982 310 H LYS 39 HN LYS 39 -19.717 -1.178 28.697 311 HA LYS 39 HA LYS 39 -18.276 0.497 30.516 312 HB2 LYS 39 HB2 LYS 39 -20.661 0.038 30.819 313 HB3 LYS 39 HB1 LYS 39 -20.326 -1.681 31.015 314 HG2 LYS 39 HG2 LYS 39 -18.760 0.087 32.834 315 HG3 LYS 39 HG1 LYS 39 -20.498 0.115 33.110 316 HD2 LYS 39 HD2 LYS 39 -20.591 -2.213 33.541 317 HD3 LYS 39 HD1 LYS 39 -18.998 -2.489 32.841 318 HE2 LYS 39 HE2 LYS 39 -18.914 -2.549 35.320 319 HE3 LYS 39 HE1 LYS 39 -17.960 -1.210 34.681 320 HZ1 LYS 39 HZ1 LYS 39 -20.621 -1.124 35.959 321 HZ2 LYS 39 HZ2 LYS 39 -20.071 0.149 34.977 322 HZ3 LYS 39 HZ3 LYS 39 -19.217 -0.275 36.385 323 H GLY 40 HN GLY 40 -16.952 -0.149 32.264 324 HA2 GLY 40 HA2 GLY 40 -14.850 -1.754 31.910 325 HA3 GLY 40 HA1 GLY 40 -15.570 -1.568 33.503 326 H ARG 41 HN ARG 41 -17.510 -3.066 33.900 327 HA ARG 41 HA ARG 41 -16.684 -5.737 33.759 328 HB2 ARG 41 HB2 ARG 41 -18.329 -4.844 35.399 329 HB3 ARG 41 HB1 ARG 41 -19.512 -4.702 34.100 330 HG2 ARG 41 HG2 ARG 41 -19.308 -7.155 33.685 331 HG3 ARG 41 HG1 ARG 41 -18.204 -7.267 35.055 332 HD2 ARG 41 HD2 ARG 41 -21.036 -6.208 35.224 333 HD3 ARG 41 HD1 ARG 41 -20.564 -7.852 35.641 334 HE ARG 41 HE ARG 41 -20.163 -5.501 37.244 335 HH11 ARG 41 HH21 ARG 41 -18.922 -8.616 36.388 336 HH12 ARG 41 HH22 ARG 41 -18.103 -8.857 37.895 337 HH21 ARG 41 HH11 ARG 41 -19.091 -5.809 39.220 338 HH22 ARG 41 HH12 ARG 41 -18.198 -7.267 39.499 339 H ASP 42 HN ASP 42 -18.978 -3.929 31.747 340 HA ASP 42 HA ASP 42 -19.830 -6.107 30.158 341 HB2 ASP 42 HB2 ASP 42 -20.945 -3.845 30.327 342 HB3 ASP 42 HB1 ASP 42 -19.667 -3.215 29.288 343 H GLN 43 HN GLN 43 -17.016 -4.052 30.041 344 HA GLN 43 HA GLN 43 -16.247 -4.586 27.373 345 HB2 GLN 43 HB2 GLN 43 -15.371 -2.700 28.767 346 HB3 GLN 43 HB1 GLN 43 -14.446 -3.881 29.697 347 HG2 GLN 43 HG2 GLN 43 -13.263 -4.589 27.673 348 HG3 GLN 43 HG1 GLN 43 -14.222 -3.473 26.701 349 HE21 GLN 43 HE21 GLN 43 -11.390 -3.236 26.758 350 HE22 GLN 43 HE22 GLN 43 -10.978 -1.807 27.574 351 H ILE 44 HN ILE 44 -15.592 -6.158 30.450 352 HA ILE 44 HA ILE 44 -13.608 -7.965 29.557 353 HB ILE 44 HB ILE 44 -15.591 -8.132 31.839 354 HG12 ILE 44 HG12 ILE 44 -12.605 -7.602 31.869 355 HG13 ILE 44 HG11 ILE 44 -13.812 -6.312 31.822 356 HG21 ILE 44 HG21 ILE 44 -13.330 -9.958 31.013 357 HG22 ILE 44 HG22 ILE 44 -14.987 -10.386 31.439 358 HG23 ILE 44 HG23 ILE 44 -13.863 -9.858 32.691 359 HD11 ILE 44 HD11 ILE 44 -13.485 -8.418 33.977 360 HD12 ILE 44 HD12 ILE 44 -14.839 -7.293 33.899 361 HD13 ILE 44 HD13 ILE 44 -13.200 -6.686 34.138 362 H ALA 45 HN ALA 45 -17.146 -8.249 29.812 363 HA ALA 45 HA ALA 45 -17.331 -10.937 28.983 364 HB1 ALA 45 HB1 ALA 45 -19.352 -8.723 28.564 365 HB2 ALA 45 HB2 ALA 45 -19.184 -9.672 30.041 366 HB3 ALA 45 HB3 ALA 45 -19.677 -10.457 28.541 367 H ALA 46 HN ALA 46 -17.208 -7.913 27.175 368 HA ALA 46 HA ALA 46 -17.831 -8.948 24.623 369 HB1 ALA 46 HB1 ALA 46 -16.046 -6.588 25.247 370 HB2 ALA 46 HB2 ALA 46 -17.808 -6.518 25.275 371 HB3 ALA 46 HB3 ALA 46 -16.964 -6.875 23.768 372 H SER 47 HN SER 47 -14.807 -8.671 26.425 373 HA SER 47 HA SER 47 -13.058 -9.279 24.321 374 HB2 SER 47 HB2 SER 47 -11.420 -9.797 26.027 375 HB3 SER 47 HB1 SER 47 -12.360 -8.400 26.546 376 HG SER 47 HG SER 47 -13.322 -10.914 27.239 377 H PHE 48 HN PHE 48 -14.748 -11.374 26.618 378 HA PHE 48 HA PHE 48 -13.565 -13.802 25.776 379 HB2 PHE 48 HB2 PHE 48 -16.138 -13.144 27.207 380 HB3 PHE 48 HB1 PHE 48 -15.727 -14.804 26.779 381 HD1 PHE 48 HD2 PHE 48 -13.425 -15.690 27.512 382 HD2 PHE 48 HD1 PHE 48 -15.228 -12.161 29.168 383 HE1 PHE 48 HE2 PHE 48 -11.938 -15.859 29.488 384 HE2 PHE 48 HE1 PHE 48 -13.736 -12.333 31.147 385 HZ PHE 48 HZ PHE 48 -12.094 -14.181 31.305 386 H GLU 49 HN GLU 49 -16.360 -11.985 24.632 387 HA GLU 49 HA GLU 49 -17.437 -13.993 22.956 388 HB2 GLU 49 HB2 GLU 49 -18.580 -11.858 23.655 389 HB3 GLU 49 HB1 GLU 49 -17.547 -11.004 22.509 390 HG2 GLU 49 HG2 GLU 49 -19.608 -11.472 21.371 391 HG3 GLU 49 HG1 GLU 49 -18.401 -12.579 20.720 392 H LEU 50 HN LEU 50 -15.272 -11.256 22.220 393 HA LEU 50 HA LEU 50 -14.864 -11.928 19.511 394 HB2 LEU 50 HB2 LEU 50 -13.242 -10.295 21.459 395 HB3 LEU 50 HB1 LEU 50 -12.792 -10.473 19.767 396 HG LEU 50 HG LEU 50 -15.544 -9.533 20.613 397 HD11 LEU 50 HD11 LEU 50 -14.100 -7.903 21.562 398 HD12 LEU 50 HD12 LEU 50 -14.590 -7.224 20.009 399 HD13 LEU 50 HD13 LEU 50 -12.999 -7.962 20.186 400 HD21 LEU 50 HD21 LEU 50 -13.957 -9.554 18.030 401 HD22 LEU 50 HD22 LEU 50 -15.275 -8.411 18.266 402 HD23 LEU 50 HD23 LEU 50 -15.596 -10.139 18.316 403 H ASN 51 HN ASN 51 -13.174 -12.869 22.455 404 HA ASN 51 HA ASN 51 -10.869 -13.984 21.421 405 HB2 ASN 51 HB2 ASN 51 -12.622 -14.930 23.692 406 HB3 ASN 51 HB1 ASN 51 -11.016 -15.578 23.365 407 HD21 ASN 51 HD21 ASN 51 -10.573 -12.514 22.397 408 HD22 ASN 51 HD22 ASN 51 -10.134 -11.778 23.862 409 H LYS 52 HN LYS 52 -14.040 -15.585 21.821 410 HA LYS 52 HA LYS 52 -13.229 -18.045 20.670 411 HB2 LYS 52 HB2 LYS 52 -15.882 -16.758 21.255 412 HB3 LYS 52 HB1 LYS 52 -15.843 -18.198 20.242 413 HG2 LYS 52 HG2 LYS 52 -16.148 -19.061 22.411 414 HG3 LYS 52 HG1 LYS 52 -14.425 -19.261 22.140 415 HD2 LYS 52 HD2 LYS 52 -14.370 -18.284 24.242 416 HD3 LYS 52 HD1 LYS 52 -14.327 -16.826 23.256 417 HE2 LYS 52 HE2 LYS 52 -16.015 -16.581 25.010 418 HE3 LYS 52 HE1 LYS 52 -16.818 -16.680 23.441 419 HZ1 LYS 52 HZ1 LYS 52 -16.354 -19.240 24.660 420 HZ2 LYS 52 HZ2 LYS 52 -17.774 -18.606 23.973 421 HZ3 LYS 52 HZ3 LYS 52 -17.368 -18.240 25.582 422 H LYS 53 HN LYS 53 -14.775 -15.160 19.287 423 HA LYS 53 HA LYS 53 -15.164 -16.207 16.694 424 HB2 LYS 53 HB2 LYS 53 -14.776 -13.387 17.699 425 HB3 LYS 53 HB1 LYS 53 -15.165 -13.767 16.023 426 HG2 LYS 53 HG2 LYS 53 -17.214 -14.887 16.709 427 HG3 LYS 53 HG1 LYS 53 -16.817 -14.623 18.410 428 HD2 LYS 53 HD2 LYS 53 -16.999 -12.247 18.173 429 HD3 LYS 53 HD1 LYS 53 -17.100 -12.369 16.418 430 HE2 LYS 53 HE2 LYS 53 -19.325 -12.004 17.389 431 HE3 LYS 53 HE1 LYS 53 -19.226 -13.588 16.623 432 HZ1 LYS 53 HZ1 LYS 53 -19.585 -12.908 19.398 433 HZ2 LYS 53 HZ2 LYS 53 -18.408 -14.104 19.134 434 HZ3 LYS 53 HZ3 LYS 53 -19.994 -14.329 18.568 435 H ILE 54 HN ILE 54 -12.487 -14.254 18.030 436 HA ILE 54 HA ILE 54 -10.938 -14.333 15.635 437 HB ILE 54 HB ILE 54 -10.211 -13.720 18.507 438 HG12 ILE 54 HG12 ILE 54 -10.453 -11.897 16.096 439 HG13 ILE 54 HG11 ILE 54 -11.776 -12.188 17.224 440 HG21 ILE 54 HG21 ILE 54 -8.161 -12.641 17.299 441 HG22 ILE 54 HG22 ILE 54 -8.541 -13.762 15.994 442 HG23 ILE 54 HG23 ILE 54 -8.144 -14.381 17.594 443 HD11 ILE 54 HD11 ILE 54 -10.309 -11.403 19.087 444 HD12 ILE 54 HD12 ILE 54 -10.599 -10.152 17.877 445 HD13 ILE 54 HD13 ILE 54 -9.062 -11.015 17.902 446 H ASN 55 HN ASN 55 -10.859 -16.179 18.670 447 HA ASN 55 HA ASN 55 -8.617 -17.764 18.037 448 HB2 ASN 55 HB2 ASN 55 -9.508 -17.596 20.313 449 HB3 ASN 55 HB1 ASN 55 -10.987 -18.414 19.808 450 HD21 ASN 55 HD21 ASN 55 -10.714 -20.340 21.060 451 HD22 ASN 55 HD22 ASN 55 -9.433 -21.425 20.805 452 H ASP 56 HN ASP 56 -12.092 -18.297 17.549 453 HA ASP 56 HA ASP 56 -11.864 -20.891 16.426 454 HB2 ASP 56 HB2 ASP 56 -13.980 -20.000 17.312 455 HB3 ASP 56 HB1 ASP 56 -14.019 -18.804 16.017 456 H TYR 57 HN TYR 57 -11.833 -17.646 15.040 457 HA TYR 57 HA TYR 57 -12.016 -18.329 12.327 458 HB2 TYR 57 HB2 TYR 57 -12.159 -16.009 13.289 459 HB3 TYR 57 HB1 TYR 57 -10.406 -16.042 13.478 460 HD1 TYR 57 HD2 TYR 57 -13.179 -16.172 11.026 461 HD2 TYR 57 HD1 TYR 57 -8.934 -15.802 11.580 462 HE1 TYR 57 HE2 TYR 57 -12.925 -15.526 8.646 463 HE2 TYR 57 HE1 TYR 57 -8.684 -15.153 9.196 464 HH TYR 57 HH TYR 57 -11.100 -15.596 6.908 465 H ILE 58 HN ILE 58 -9.207 -18.080 14.476 466 HA ILE 58 HA ILE 58 -7.213 -18.499 12.523 467 HB ILE 58 HB ILE 58 -7.254 -19.101 15.491 468 HG12 ILE 58 HG12 ILE 58 -5.873 -16.881 13.954 469 HG13 ILE 58 HG11 ILE 58 -7.480 -16.703 14.673 470 HG21 ILE 58 HG21 ILE 58 -5.028 -19.242 13.445 471 HG22 ILE 58 HG22 ILE 58 -5.538 -20.493 14.580 472 HG23 ILE 58 HG23 ILE 58 -4.712 -19.050 15.169 473 HD11 ILE 58 HD11 ILE 58 -6.483 -17.379 16.885 474 HD12 ILE 58 HD12 ILE 58 -5.854 -15.856 16.257 475 HD13 ILE 58 HD13 ILE 58 -4.892 -17.327 16.126 476 H ALA 59 HN ALA 59 -9.008 -20.758 14.597 477 HA ALA 59 HA ALA 59 -7.654 -23.108 13.838 478 HB1 ALA 59 HB1 ALA 59 -9.151 -23.044 15.768 479 HB2 ALA 59 HB2 ALA 59 -9.687 -24.281 14.632 480 HB3 ALA 59 HB3 ALA 59 -10.529 -22.734 14.712 481 H GLU 60 HN GLU 60 -10.441 -21.440 12.433 482 HA GLU 60 HA GLU 60 -10.912 -23.449 10.430 483 HB2 GLU 60 HB2 GLU 60 -11.895 -20.604 10.734 484 HB3 GLU 60 HB1 GLU 60 -12.422 -21.696 9.452 485 HG2 GLU 60 HG2 GLU 60 -13.261 -23.289 11.112 486 HG3 GLU 60 HG1 GLU 60 -12.672 -22.265 12.420 487 H HIS 61 HN HIS 61 -8.485 -21.229 10.823 488 HA HIS 61 HA HIS 61 -7.949 -21.094 7.902 489 HB2 HIS 61 HB2 HIS 61 -7.529 -18.996 10.037 490 HB3 HIS 61 HB1 HIS 61 -6.742 -18.933 8.459 491 HD2 HIS 61 HD2 HIS 61 -8.311 -17.701 6.543 492 HE1 HIS 61 HE1 HIS 61 -12.062 -18.227 8.410 493 HE2 HIS 61 HE2 HIS 61 -10.875 -17.219 6.404 494 HA PRO 62 HA PRO 62 -4.477 -23.160 10.290 495 HB2 PRO 62 HB2 PRO 62 -4.358 -25.453 8.779 496 HB3 PRO 62 HB1 PRO 62 -5.413 -25.271 10.195 497 HG2 PRO 62 HG2 PRO 62 -6.086 -25.044 7.297 498 HG3 PRO 62 HG1 PRO 62 -7.008 -25.794 8.613 499 HD2 PRO 62 HD2 PRO 62 -7.585 -23.309 7.624 500 HD3 PRO 62 HD1 PRO 62 -7.916 -23.771 9.307 501 H THR 63 HN THR 63 -5.140 -22.254 7.048 502 HA THR 63 HA THR 63 -2.429 -22.695 6.068 503 HB THR 63 HB THR 63 -3.262 -21.796 3.972 504 HG1 THR 63 HG1 THR 63 -5.829 -21.452 4.916 505 HG21 THR 63 HG21 THR 63 -3.820 -24.136 4.536 506 HG22 THR 63 HG22 THR 63 -5.083 -23.394 3.554 507 HG23 THR 63 HG23 THR 63 -5.316 -23.591 5.292 508 H SER 64 HN SER 64 -3.906 -20.425 7.988 509 HA SER 64 HA SER 64 -3.342 -18.308 8.677 510 HB2 SER 64 HB2 SER 64 -1.102 -19.466 8.871 511 HB3 SER 64 HB1 SER 64 -0.708 -18.814 7.283 512 HG SER 64 HG SER 64 -0.292 -16.994 8.227 513 H GLY 65 HN GLY 65 -3.300 -16.166 7.969 514 HA2 GLY 65 HA2 GLY 65 -2.579 -15.167 5.498 515 HA3 GLY 65 HA1 GLY 65 -4.230 -15.744 5.301 516 H ARG 66 HN ARG 66 -5.898 -14.557 6.090 517 HA ARG 66 HA ARG 66 -5.306 -11.863 7.001 518 HB2 ARG 66 HB2 ARG 66 -7.762 -13.351 6.112 519 HB3 ARG 66 HB1 ARG 66 -7.957 -11.858 7.028 520 HG2 ARG 66 HG2 ARG 66 -7.957 -11.367 4.627 521 HG3 ARG 66 HG1 ARG 66 -6.516 -10.681 5.377 522 HD2 ARG 66 HD2 ARG 66 -5.166 -12.551 4.604 523 HD3 ARG 66 HD1 ARG 66 -6.594 -13.366 3.976 524 HE ARG 66 HE ARG 66 -6.594 -11.889 2.154 525 HH11 ARG 66 HH21 ARG 66 -4.279 -10.981 4.567 526 HH12 ARG 66 HH22 ARG 66 -3.472 -9.833 3.552 527 HH21 ARG 66 HH11 ARG 66 -5.542 -10.388 0.826 528 HH22 ARG 66 HH12 ARG 66 -4.187 -9.497 1.435 529 H ASN 67 HN ASN 67 -5.809 -14.860 8.458 530 HA ASN 67 HA ASN 67 -7.287 -14.109 10.767 531 HB2 ASN 67 HB2 ASN 67 -6.513 -16.200 11.720 532 HB3 ASN 67 HB1 ASN 67 -6.934 -16.463 10.029 533 HD21 ASN 67 HD21 ASN 67 -4.872 -17.824 11.883 534 HD22 ASN 67 HD22 ASN 67 -3.430 -17.765 10.989 535 H GLN 68 HN GLN 68 -4.032 -13.571 9.789 536 HA GLN 68 HA GLN 68 -2.792 -13.352 12.327 537 HB2 GLN 68 HB2 GLN 68 -2.175 -12.322 9.568 538 HB3 GLN 68 HB1 GLN 68 -1.240 -11.722 10.937 539 HG2 GLN 68 HG2 GLN 68 -0.095 -13.645 9.978 540 HG3 GLN 68 HG1 GLN 68 -0.722 -14.088 11.564 541 HE21 GLN 68 HE21 GLN 68 -1.638 -16.138 11.517 542 HE22 GLN 68 HE22 GLN 68 -2.497 -16.791 10.207 543 H ALA 69 HN ALA 69 -4.684 -11.104 10.383 544 HA ALA 69 HA ALA 69 -4.097 -8.793 11.965 545 HB1 ALA 69 HB1 ALA 69 -6.498 -9.292 10.192 546 HB2 ALA 69 HB2 ALA 69 -4.935 -8.713 9.612 547 HB3 ALA 69 HB3 ALA 69 -5.883 -7.726 10.726 548 H LEU 70 HN LEU 70 -6.707 -11.189 11.952 549 HA LEU 70 HA LEU 70 -8.319 -9.923 13.912 550 HB2 LEU 70 HB2 LEU 70 -8.112 -12.722 12.831 551 HB3 LEU 70 HB1 LEU 70 -9.138 -12.397 14.225 552 HG LEU 70 HG LEU 70 -10.391 -10.727 12.975 553 HD11 LEU 70 HD11 LEU 70 -8.341 -11.326 10.834 554 HD12 LEU 70 HD12 LEU 70 -8.705 -9.768 11.577 555 HD13 LEU 70 HD13 LEU 70 -9.870 -10.518 10.484 556 HD21 LEU 70 HD21 LEU 70 -11.532 -12.202 11.478 557 HD22 LEU 70 HD22 LEU 70 -10.879 -13.231 12.754 558 HD23 LEU 70 HD23 LEU 70 -10.071 -13.148 11.189 559 H THR 71 HN THR 71 -5.675 -12.258 14.126 560 HA THR 71 HA THR 71 -5.893 -12.925 16.829 561 HB THR 71 HB THR 71 -3.273 -12.584 15.370 562 HG1 THR 71 HG1 THR 71 -3.997 -14.013 14.039 563 HG21 THR 71 HG21 THR 71 -3.089 -13.150 17.732 564 HG22 THR 71 HG22 THR 71 -2.687 -14.571 16.766 565 HG23 THR 71 HG23 THR 71 -4.266 -14.449 17.542 566 H GLN 72 HN GLN 72 -4.461 -10.117 15.271 567 HA GLN 72 HA GLN 72 -3.073 -9.067 17.484 568 HB2 GLN 72 HB2 GLN 72 -4.379 -7.700 15.130 569 HB3 GLN 72 HB1 GLN 72 -3.319 -6.884 16.278 570 HG2 GLN 72 HG2 GLN 72 -2.528 -9.317 14.653 571 HG3 GLN 72 HG1 GLN 72 -2.130 -7.658 14.211 572 HE21 GLN 72 HE21 GLN 72 -0.778 -10.311 15.651 573 HE22 GLN 72 HE22 GLN 72 0.311 -9.542 16.702 574 H LEU 73 HN LEU 73 -6.452 -8.740 16.461 575 HA LEU 73 HA LEU 73 -7.190 -6.721 18.289 576 HB2 LEU 73 HB2 LEU 73 -8.701 -8.871 16.826 577 HB3 LEU 73 HB1 LEU 73 -9.530 -7.856 17.997 578 HG LEU 73 HG LEU 73 -7.851 -6.651 15.786 579 HD11 LEU 73 HD11 LEU 73 -10.703 -7.644 15.686 580 HD12 LEU 73 HD12 LEU 73 -9.398 -7.939 14.537 581 HD13 LEU 73 HD13 LEU 73 -10.144 -6.345 14.632 582 HD21 LEU 73 HD21 LEU 73 -8.420 -4.991 17.376 583 HD22 LEU 73 HD22 LEU 73 -10.014 -5.677 17.670 584 HD23 LEU 73 HD23 LEU 73 -9.686 -4.826 16.165 585 H LYS 74 HN LYS 74 -7.226 -10.266 18.549 586 HA LYS 74 HA LYS 74 -8.433 -10.408 21.092 587 HB2 LYS 74 HB2 LYS 74 -8.082 -12.355 19.597 588 HB3 LYS 74 HB1 LYS 74 -6.353 -12.283 19.942 589 HG2 LYS 74 HG2 LYS 74 -6.788 -12.649 22.322 590 HG3 LYS 74 HG1 LYS 74 -8.528 -12.642 22.023 591 HD2 LYS 74 HD2 LYS 74 -8.279 -14.604 20.542 592 HD3 LYS 74 HD1 LYS 74 -6.545 -14.621 20.867 593 HE2 LYS 74 HE2 LYS 74 -6.985 -14.973 23.263 594 HE3 LYS 74 HE1 LYS 74 -8.721 -14.934 22.955 595 HZ1 LYS 74 HZ1 LYS 74 -8.284 -17.171 22.911 596 HZ2 LYS 74 HZ2 LYS 74 -6.748 -16.982 22.211 597 HZ3 LYS 74 HZ3 LYS 74 -8.146 -16.789 21.264 598 H GLU 75 HN GLU 75 -5.010 -10.147 20.160 599 HA GLU 75 HA GLU 75 -3.962 -10.256 22.794 600 HB2 GLU 75 HB2 GLU 75 -2.836 -9.067 20.249 601 HB3 GLU 75 HB1 GLU 75 -1.920 -9.263 21.744 602 HG2 GLU 75 HG2 GLU 75 -3.297 -11.532 20.280 603 HG3 GLU 75 HG1 GLU 75 -1.586 -11.147 20.118 604 H GLN 76 HN GLN 76 -5.023 -7.576 20.738 605 HA GLN 76 HA GLN 76 -4.122 -5.531 22.513 606 HB2 GLN 76 HB2 GLN 76 -6.099 -5.545 20.234 607 HB3 GLN 76 HB1 GLN 76 -5.737 -4.093 21.167 608 HG2 GLN 76 HG2 GLN 76 -3.349 -4.320 20.610 609 HG3 GLN 76 HG1 GLN 76 -3.699 -5.779 19.685 610 HE21 GLN 76 HE21 GLN 76 -2.565 -4.053 18.063 611 HE22 GLN 76 HE22 GLN 76 -3.671 -3.160 17.135 612 H VAL 77 HN VAL 77 -7.333 -6.970 21.918 613 HA VAL 77 HA VAL 77 -8.742 -5.427 23.797 614 HB VAL 77 HB VAL 77 -9.256 -8.219 22.755 615 HG11 VAL 77 HG11 VAL 77 -10.917 -6.368 24.471 616 HG12 VAL 77 HG12 VAL 77 -10.527 -8.064 24.751 617 HG13 VAL 77 HG13 VAL 77 -11.654 -7.620 23.470 618 HG21 VAL 77 HG21 VAL 77 -9.194 -6.177 21.176 619 HG22 VAL 77 HG22 VAL 77 -10.651 -5.641 22.014 620 HG23 VAL 77 HG23 VAL 77 -10.649 -7.173 21.142 621 H THR 78 HN THR 78 -7.327 -8.688 24.139 622 HA THR 78 HA THR 78 -8.044 -9.040 26.847 623 HB THR 78 HB THR 78 -7.265 -10.835 25.230 624 HG1 THR 78 HG1 THR 78 -5.754 -10.855 27.601 625 HG21 THR 78 HG21 THR 78 -4.502 -10.003 26.109 626 HG22 THR 78 HG22 THR 78 -5.207 -9.461 24.591 627 HG23 THR 78 HG23 THR 78 -4.947 -11.179 24.870 628 H SER 79 HN SER 79 -5.192 -7.651 25.309 629 HA SER 79 HA SER 79 -3.602 -7.343 27.613 630 HB2 SER 79 HB2 SER 79 -3.701 -5.837 25.000 631 HB3 SER 79 HB1 SER 79 -2.518 -5.482 26.256 632 HG SER 79 HG SER 79 -1.510 -7.007 25.126 633 H ALA 80 HN ALA 80 -6.152 -5.347 26.218 634 HA ALA 80 HA ALA 80 -5.758 -3.015 27.721 635 HB1 ALA 80 HB1 ALA 80 -8.398 -4.164 26.801 636 HB2 ALA 80 HB2 ALA 80 -7.311 -3.215 25.788 637 HB3 ALA 80 HB3 ALA 80 -8.067 -2.478 27.201 638 H LEU 81 HN LEU 81 -7.441 -6.007 28.489 639 HA LEU 81 HA LEU 81 -8.654 -5.120 30.895 640 HB2 LEU 81 HB2 LEU 81 -7.786 -7.929 30.191 641 HB3 LEU 81 HB1 LEU 81 -9.039 -7.460 31.340 642 HG LEU 81 HG LEU 81 -9.088 -6.904 28.358 643 HD11 LEU 81 HD11 LEU 81 -9.445 -9.259 28.767 644 HD12 LEU 81 HD12 LEU 81 -11.023 -8.538 28.453 645 HD13 LEU 81 HD13 LEU 81 -10.541 -8.915 30.106 646 HD21 LEU 81 HD21 LEU 81 -11.580 -6.403 29.029 647 HD22 LEU 81 HD22 LEU 81 -10.355 -5.171 29.318 648 HD23 LEU 81 HD23 LEU 81 -10.919 -6.180 30.650 649 H GLY 82 HN GLY 82 -5.453 -6.260 30.096 650 HA2 GLY 82 HA2 GLY 82 -3.509 -5.910 31.363 651 HA3 GLY 82 HA1 GLY 82 -4.507 -5.528 32.762 652 H LEU 83 HN LEU 83 -5.473 -8.337 31.100 653 HA LEU 83 HA LEU 83 -4.985 -10.032 33.319 654 HB2 LEU 83 HB2 LEU 83 -5.708 -10.606 30.442 655 HB3 LEU 83 HB1 LEU 83 -5.611 -11.858 31.677 656 HG LEU 83 HG LEU 83 -7.338 -9.384 31.976 657 HD11 LEU 83 HD11 LEU 83 -8.153 -12.131 30.985 658 HD12 LEU 83 HD12 LEU 83 -8.002 -10.697 29.971 659 HD13 LEU 83 HD13 LEU 83 -9.226 -10.754 31.240 660 HD21 LEU 83 HD21 LEU 83 -7.004 -11.983 33.482 661 HD22 LEU 83 HD22 LEU 83 -8.560 -11.157 33.508 662 HD23 LEU 83 HD23 LEU 83 -7.124 -10.338 34.109 663 H GLU 84 HN GLU 84 -3.320 -9.584 30.225 664 HA GLU 84 HA GLU 84 -1.233 -10.219 29.505 665 HB2 GLU 84 HB2 GLU 84 -0.623 -9.007 31.641 666 HB3 GLU 84 HB1 GLU 84 -0.584 -10.579 32.437 667 HG2 GLU 84 HG2 GLU 84 1.666 -10.118 31.768 668 HG3 GLU 84 HG1 GLU 84 1.053 -11.315 30.630 669 H HIS 85 HN HIS 85 -0.497 -12.087 28.675 670 HA HIS 85 HA HIS 85 -1.648 -14.574 29.563 671 HB2 HIS 85 HB2 HIS 85 0.406 -13.937 27.434 672 HB3 HIS 85 HB1 HIS 85 -0.256 -15.547 27.722 673 HD2 HIS 85 HD2 HIS 85 -1.134 -12.445 25.690 674 HE1 HIS 85 HE1 HIS 85 -4.720 -14.647 26.029 675 HE2 HIS 85 HE2 HIS 85 -3.586 -12.716 24.833 676 H HIS 86 HN HIS 86 -0.677 -16.242 30.624 677 HA HIS 86 HA HIS 86 2.148 -15.931 31.461 678 HB2 HIS 86 HB2 HIS 86 0.597 -15.174 33.280 679 HB3 HIS 86 HB1 HIS 86 -0.102 -16.793 33.293 680 HD2 HIS 86 HD2 HIS 86 1.289 -18.583 34.880 681 HE1 HIS 86 HE1 HIS 86 4.859 -16.362 35.272 682 HE2 HIS 86 HE2 HIS 86 3.642 -18.466 36.009 683 H HIS 87 HN HIS 87 3.301 -17.709 31.099 684 HA HIS 87 HA HIS 87 1.888 -20.228 30.459 685 HB2 HIS 87 HB2 HIS 87 4.725 -19.327 29.893 686 HB3 HIS 87 HB1 HIS 87 4.043 -20.886 29.428 687 HD2 HIS 87 HD2 HIS 87 1.142 -18.764 28.776 688 HE1 HIS 87 HE1 HIS 87 3.502 -18.158 25.328 689 HE2 HIS 87 HE2 HIS 87 1.187 -17.860 26.326 690 H HIS 88 HN HIS 88 1.760 -21.664 32.043 691 HA HIS 88 HA HIS 88 3.368 -21.507 34.411 692 HB2 HIS 88 HB2 HIS 88 1.025 -22.322 34.415 693 HB3 HIS 88 HB1 HIS 88 1.537 -23.731 33.486 694 HD2 HIS 88 HD2 HIS 88 1.838 -25.812 35.263 695 HE1 HIS 88 HE1 HIS 88 3.487 -23.636 38.483 696 HE2 HIS 88 HE2 HIS 88 2.805 -25.948 37.685 697 H HIS 89 HN HIS 89 4.887 -23.032 35.169 698 HA HIS 89 HA HIS 89 6.781 -23.904 33.288 699 HB2 HIS 89 HB2 HIS 89 6.315 -24.691 36.169 700 HB3 HIS 89 HB1 HIS 89 7.700 -25.245 35.228 701 HD2 HIS 89 HD2 HIS 89 9.593 -23.198 34.574 702 HE1 HIS 89 HE1 HIS 89 7.842 -20.235 37.019 703 HE2 HIS 89 HE2 HIS 89 9.880 -20.823 35.622 704 H HIS 90 HN HIS 90 4.194 -25.655 34.965 705 HA HIS 90 HA HIS 90 4.755 -28.061 33.332 706 HB2 HIS 90 HB2 HIS 90 4.673 -28.481 35.725 707 HB3 HIS 90 HB1 HIS 90 3.100 -27.692 35.843 708 HD2 HIS 90 HD2 HIS 90 0.947 -29.371 35.324 709 HE1 HIS 90 HE1 HIS 90 3.130 -32.615 33.732 710 HE2 HIS 90 HE2 HIS 90 0.822 -31.824 34.437 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -8.687 -0.142 26.174 2 H2 MET 1 HT2 MET 1 -9.257 1.138 25.213 3 H3 MET 1 HT3 MET 1 -9.868 0.914 26.782 4 HA MET 1 HA MET 1 -8.115 2.738 26.383 5 HB2 MET 1 HB2 MET 1 -7.045 2.038 28.651 6 HB3 MET 1 HB1 MET 1 -8.782 2.336 28.608 7 HG2 MET 1 HG2 MET 1 -9.216 -0.071 28.373 8 HG3 MET 1 HG1 MET 1 -7.482 -0.392 28.347 9 HE1 MET 1 HE1 MET 1 -6.107 -0.830 30.196 10 HE2 MET 1 HE2 MET 1 -6.224 -0.103 31.797 11 HE3 MET 1 HE3 MET 1 -5.955 0.922 30.390 12 H GLY 2 HN GLY 2 -7.167 1.477 24.325 13 HA2 GLY 2 HA2 GLY 2 -4.360 1.311 24.751 14 HA3 GLY 2 HA1 GLY 2 -5.037 -0.299 24.534 15 H GLN 3 HN GLN 3 -3.245 0.459 22.700 16 HA GLN 3 HA GLN 3 -4.236 1.895 20.469 17 HB2 GLN 3 HB2 GLN 3 -1.825 1.363 20.893 18 HB3 GLN 3 HB1 GLN 3 -2.166 -0.313 20.460 19 HG2 GLN 3 HG2 GLN 3 -2.922 0.392 18.234 20 HG3 GLN 3 HG1 GLN 3 -2.650 2.080 18.662 21 HE21 GLN 3 HE21 GLN 3 -1.286 0.814 16.460 22 HE22 GLN 3 HE22 GLN 3 0.365 0.741 16.845 23 H ILE 4 HN ILE 4 -6.444 0.882 20.545 24 HA ILE 4 HA ILE 4 -6.627 -1.784 19.355 25 HB ILE 4 HB ILE 4 -8.749 0.079 20.306 26 HG12 ILE 4 HG12 ILE 4 -7.773 -2.500 21.538 27 HG13 ILE 4 HG11 ILE 4 -7.180 -0.915 22.036 28 HG21 ILE 4 HG21 ILE 4 -10.141 -2.050 20.183 29 HG22 ILE 4 HG22 ILE 4 -8.820 -2.741 19.240 30 HG23 ILE 4 HG23 ILE 4 -9.701 -1.340 18.630 31 HD11 ILE 4 HD11 ILE 4 -9.117 -1.882 23.409 32 HD12 ILE 4 HD12 ILE 4 -10.128 -1.587 21.994 33 HD13 ILE 4 HD13 ILE 4 -9.332 -0.239 22.806 34 H PHE 5 HN PHE 5 -7.063 -2.163 17.256 35 HA PHE 5 HA PHE 5 -6.949 -0.060 15.357 36 HB2 PHE 5 HB2 PHE 5 -7.741 -2.970 15.165 37 HB3 PHE 5 HB1 PHE 5 -7.718 -1.903 13.760 38 HD1 PHE 5 HD1 PHE 5 -5.586 -0.819 13.045 39 HD2 PHE 5 HD2 PHE 5 -5.708 -3.774 16.161 40 HE1 PHE 5 HE1 PHE 5 -3.135 -1.134 12.842 41 HE2 PHE 5 HE2 PHE 5 -3.257 -4.089 15.958 42 HZ PHE 5 HZ PHE 5 -1.970 -2.769 14.298 43 H THR 6 HN THR 6 -8.496 1.153 14.441 44 HA THR 6 HA THR 6 -11.110 1.233 15.547 45 HB THR 6 HB THR 6 -10.294 2.454 12.913 46 HG1 THR 6 HG1 THR 6 -9.772 3.323 15.562 47 HG21 THR 6 HG21 THR 6 -11.960 4.078 13.411 48 HG22 THR 6 HG22 THR 6 -12.069 3.557 15.092 49 HG23 THR 6 HG23 THR 6 -12.694 2.524 13.807 50 H VAL 7 HN VAL 7 -13.072 0.576 14.719 51 HA VAL 7 HA VAL 7 -13.108 -1.780 13.164 52 HB VAL 7 HB VAL 7 -14.852 -1.113 14.839 53 HG11 VAL 7 HG11 VAL 7 -15.929 0.632 12.616 54 HG12 VAL 7 HG12 VAL 7 -14.955 1.276 13.937 55 HG13 VAL 7 HG13 VAL 7 -16.508 0.515 14.278 56 HG21 VAL 7 HG21 VAL 7 -16.764 -1.943 13.465 57 HG22 VAL 7 HG22 VAL 7 -15.307 -2.909 13.244 58 HG23 VAL 7 HG23 VAL 7 -15.781 -1.736 12.017 59 H GLN 8 HN GLN 8 -13.661 1.611 12.372 60 HA GLN 8 HA GLN 8 -14.715 1.311 9.799 61 HB2 GLN 8 HB2 GLN 8 -14.602 3.459 11.055 62 HB3 GLN 8 HB1 GLN 8 -12.862 3.501 10.766 63 HG2 GLN 8 HG2 GLN 8 -13.233 3.524 8.347 64 HG3 GLN 8 HG1 GLN 8 -14.974 3.395 8.593 65 HE21 GLN 8 HE21 GLN 8 -15.735 5.436 7.937 66 HE22 GLN 8 HE22 GLN 8 -15.162 6.908 8.558 67 H GLU 9 HN GLU 9 -11.337 1.558 10.871 68 HA GLU 9 HA GLU 9 -10.220 1.376 8.254 69 HB2 GLU 9 HB2 GLU 9 -9.037 0.897 10.995 70 HB3 GLU 9 HB1 GLU 9 -8.098 0.864 9.502 71 HG2 GLU 9 HG2 GLU 9 -8.718 3.169 9.008 72 HG3 GLU 9 HG1 GLU 9 -9.776 3.217 10.418 73 H LEU 10 HN LEU 10 -11.265 -0.949 10.626 74 HA LEU 10 HA LEU 10 -9.876 -3.199 9.657 75 HB2 LEU 10 HB2 LEU 10 -11.032 -3.101 11.862 76 HB3 LEU 10 HB1 LEU 10 -12.580 -3.134 11.021 77 HG LEU 10 HG LEU 10 -11.912 -5.312 9.969 78 HD11 LEU 10 HD11 LEU 10 -9.955 -6.438 11.394 79 HD12 LEU 10 HD12 LEU 10 -9.426 -4.766 11.572 80 HD13 LEU 10 HD13 LEU 10 -9.597 -5.472 9.967 81 HD21 LEU 10 HD21 LEU 10 -12.022 -6.627 12.155 82 HD22 LEU 10 HD22 LEU 10 -13.324 -5.470 11.878 83 HD23 LEU 10 HD23 LEU 10 -12.004 -5.069 12.978 84 H LYS 11 HN LYS 11 -12.944 -1.726 8.759 85 HA LYS 11 HA LYS 11 -13.963 -3.772 7.142 86 HB2 LYS 11 HB2 LYS 11 -14.266 -0.769 6.985 87 HB3 LYS 11 HB1 LYS 11 -15.173 -1.884 5.962 88 HG2 LYS 11 HG2 LYS 11 -16.055 -3.000 7.997 89 HG3 LYS 11 HG1 LYS 11 -15.188 -1.833 8.995 90 HD2 LYS 11 HD2 LYS 11 -16.468 0.007 8.017 91 HD3 LYS 11 HD1 LYS 11 -17.286 -1.113 6.927 92 HE2 LYS 11 HE2 LYS 11 -18.755 -0.667 8.809 93 HE3 LYS 11 HE1 LYS 11 -18.175 -2.328 8.932 94 HZ1 LYS 11 HZ1 LYS 11 -16.405 -0.501 10.210 95 HZ2 LYS 11 HZ2 LYS 11 -17.173 -1.879 10.842 96 HZ3 LYS 11 HZ3 LYS 11 -17.971 -0.379 10.849 97 H GLU 12 HN GLU 12 -11.759 -1.102 6.358 98 HA GLU 12 HA GLU 12 -11.614 -1.489 3.588 99 HB2 GLU 12 HB2 GLU 12 -10.667 0.466 4.789 100 HB3 GLU 12 HB1 GLU 12 -9.398 -0.573 5.438 101 HG2 GLU 12 HG2 GLU 12 -8.615 -1.083 3.177 102 HG3 GLU 12 HG1 GLU 12 -9.925 -0.128 2.486 103 H ARG 13 HN ARG 13 -9.941 -3.098 6.236 104 HA ARG 13 HA ARG 13 -8.153 -4.552 4.547 105 HB2 ARG 13 HB2 ARG 13 -7.696 -4.050 6.954 106 HB3 ARG 13 HB1 ARG 13 -8.975 -5.184 7.386 107 HG2 ARG 13 HG2 ARG 13 -6.854 -6.361 7.494 108 HG3 ARG 13 HG1 ARG 13 -7.750 -6.968 6.105 109 HD2 ARG 13 HD2 ARG 13 -6.339 -5.928 4.565 110 HD3 ARG 13 HD1 ARG 13 -5.852 -4.668 5.695 111 HE ARG 13 HE ARG 13 -4.860 -6.994 6.763 112 HH11 ARG 13 HH21 ARG 13 -4.689 -5.316 3.740 113 HH12 ARG 13 HH22 ARG 13 -3.091 -5.871 3.364 114 HH21 ARG 13 HH11 ARG 13 -2.765 -7.724 6.277 115 HH22 ARG 13 HH12 ARG 13 -2.003 -7.234 4.801 116 H ALA 14 HN ALA 14 -11.259 -5.218 6.071 117 HA ALA 14 HA ALA 14 -11.352 -7.965 5.332 118 HB1 ALA 14 HB1 ALA 14 -12.714 -7.264 7.168 119 HB2 ALA 14 HB2 ALA 14 -13.817 -7.706 5.865 120 HB3 ALA 14 HB3 ALA 14 -13.480 -6.007 6.197 121 H LYS 15 HN LYS 15 -11.922 -5.056 3.633 122 HA LYS 15 HA LYS 15 -13.825 -5.915 1.741 123 HB2 LYS 15 HB2 LYS 15 -11.671 -3.823 1.731 124 HB3 LYS 15 HB1 LYS 15 -12.643 -4.107 0.293 125 HG2 LYS 15 HG2 LYS 15 -14.054 -3.739 2.922 126 HG3 LYS 15 HG1 LYS 15 -13.408 -2.314 2.108 127 HD2 LYS 15 HD2 LYS 15 -14.657 -2.939 0.061 128 HD3 LYS 15 HD1 LYS 15 -15.321 -4.339 0.903 129 HE2 LYS 15 HE2 LYS 15 -16.375 -2.874 2.549 130 HE3 LYS 15 HE1 LYS 15 -15.673 -1.463 1.759 131 HZ1 LYS 15 HZ1 LYS 15 -17.169 -1.535 0.110 132 HZ2 LYS 15 HZ2 LYS 15 -18.097 -2.457 1.194 133 HZ3 LYS 15 HZ3 LYS 15 -17.151 -3.228 0.011 134 H VAL 16 HN VAL 16 -10.729 -7.044 2.293 135 HA VAL 16 HA VAL 16 -9.953 -7.588 -0.420 136 HB VAL 16 HB VAL 16 -8.334 -7.385 1.469 137 HG11 VAL 16 HG11 VAL 16 -9.891 -8.727 3.034 138 HG12 VAL 16 HG12 VAL 16 -8.164 -9.059 3.137 139 HG13 VAL 16 HG13 VAL 16 -9.223 -10.163 2.259 140 HG21 VAL 16 HG21 VAL 16 -8.357 -10.065 0.042 141 HG22 VAL 16 HG22 VAL 16 -6.945 -9.301 0.768 142 HG23 VAL 16 HG23 VAL 16 -7.731 -8.557 -0.624 143 H PHE 17 HN PHE 17 -11.697 -9.292 2.114 144 HA PHE 17 HA PHE 17 -12.101 -11.595 0.274 145 HB2 PHE 17 HB2 PHE 17 -10.961 -12.205 2.357 146 HB3 PHE 17 HB1 PHE 17 -12.276 -11.494 3.296 147 HD1 PHE 17 HD1 PHE 17 -11.479 -14.132 0.782 148 HD2 PHE 17 HD2 PHE 17 -14.282 -12.701 3.705 149 HE1 PHE 17 HE1 PHE 17 -12.757 -16.249 0.592 150 HE2 PHE 17 HE2 PHE 17 -15.559 -14.817 3.515 151 HZ PHE 17 HZ PHE 17 -14.797 -16.592 1.960 152 H ALA 18 HN ALA 18 -14.136 -12.244 -0.205 153 HA ALA 18 HA ALA 18 -16.249 -10.407 -0.099 154 HB1 ALA 18 HB1 ALA 18 -17.674 -12.394 -0.729 155 HB2 ALA 18 HB2 ALA 18 -16.234 -13.396 -0.546 156 HB3 ALA 18 HB3 ALA 18 -16.276 -12.127 -1.769 157 H LYS 19 HN LYS 19 -18.020 -10.172 1.213 158 HA LYS 19 HA LYS 19 -17.705 -10.967 3.913 159 HB2 LYS 19 HB2 LYS 19 -20.081 -9.710 2.537 160 HB3 LYS 19 HB1 LYS 19 -19.866 -9.851 4.281 161 HG2 LYS 19 HG2 LYS 19 -17.460 -8.685 3.548 162 HG3 LYS 19 HG1 LYS 19 -18.567 -7.977 2.372 163 HD2 LYS 19 HD2 LYS 19 -20.060 -7.299 4.239 164 HD3 LYS 19 HD1 LYS 19 -18.881 -7.951 5.378 165 HE2 LYS 19 HE2 LYS 19 -18.468 -5.582 5.199 166 HE3 LYS 19 HE1 LYS 19 -17.167 -6.412 4.346 167 HZ1 LYS 19 HZ1 LYS 19 -19.547 -5.711 2.811 168 HZ2 LYS 19 HZ2 LYS 19 -17.916 -5.738 2.336 169 HZ3 LYS 19 HZ3 LYS 19 -18.515 -4.442 3.257 170 HA PRO 20 HA PRO 20 -19.884 -14.831 3.799 171 HB2 PRO 20 HB2 PRO 20 -20.745 -14.986 6.407 172 HB3 PRO 20 HB1 PRO 20 -19.053 -15.231 5.925 173 HG2 PRO 20 HG2 PRO 20 -20.358 -12.793 7.064 174 HG3 PRO 20 HG1 PRO 20 -18.777 -13.503 7.440 175 HD2 PRO 20 HD2 PRO 20 -19.054 -11.355 5.804 176 HD3 PRO 20 HD1 PRO 20 -17.756 -12.548 5.600 177 H ILE 21 HN ILE 21 -22.017 -15.773 3.959 178 HA ILE 21 HA ILE 21 -24.104 -13.959 3.220 179 HB ILE 21 HB ILE 21 -25.511 -15.999 3.154 180 HG12 ILE 21 HG12 ILE 21 -22.997 -17.400 4.125 181 HG13 ILE 21 HG11 ILE 21 -24.425 -17.118 5.123 182 HG21 ILE 21 HG21 ILE 21 -22.753 -16.321 1.931 183 HG22 ILE 21 HG22 ILE 21 -24.086 -15.402 1.230 184 HG23 ILE 21 HG23 ILE 21 -24.214 -17.153 1.397 185 HD11 ILE 21 HD11 ILE 21 -25.770 -18.347 3.361 186 HD12 ILE 21 HD12 ILE 21 -24.624 -19.343 4.258 187 HD13 ILE 21 HD13 ILE 21 -24.236 -18.809 2.622 188 H GLY 22 HN GLY 22 -26.131 -13.683 4.308 189 HA2 GLY 22 HA2 GLY 22 -27.559 -13.602 6.154 190 HA3 GLY 22 HA1 GLY 22 -26.354 -14.469 7.102 191 H ALA 23 HN ALA 23 -25.370 -13.328 8.636 192 HA ALA 23 HA ALA 23 -24.466 -10.633 8.228 193 HB1 ALA 23 HB1 ALA 23 -26.782 -10.082 8.651 194 HB2 ALA 23 HB2 ALA 23 -25.839 -9.656 10.080 195 HB3 ALA 23 HB3 ALA 23 -26.813 -11.125 10.073 196 H SER 24 HN SER 24 -23.027 -12.842 8.856 197 HA SER 24 HA SER 24 -22.680 -13.096 11.718 198 HB2 SER 24 HB2 SER 24 -20.827 -14.598 11.117 199 HB3 SER 24 HB1 SER 24 -22.297 -15.019 10.243 200 HG SER 24 HG SER 24 -21.248 -14.648 8.473 201 H TYR 25 HN TYR 25 -21.586 -10.975 9.302 202 HA TYR 25 HA TYR 25 -19.010 -10.360 10.389 203 HB2 TYR 25 HB2 TYR 25 -19.674 -9.918 8.020 204 HB3 TYR 25 HB1 TYR 25 -20.745 -8.643 8.601 205 HD1 TYR 25 HD1 TYR 25 -17.199 -9.749 8.430 206 HD2 TYR 25 HD2 TYR 25 -19.893 -6.514 9.282 207 HE1 TYR 25 HE1 TYR 25 -15.284 -8.176 8.507 208 HE2 TYR 25 HE2 TYR 25 -17.978 -4.940 9.359 209 HH TYR 25 HH TYR 25 -14.874 -5.840 9.711 210 H GLN 26 HN GLN 26 -22.217 -9.547 11.247 211 HA GLN 26 HA GLN 26 -21.886 -6.979 12.340 212 HB2 GLN 26 HB2 GLN 26 -23.920 -7.408 13.557 213 HB3 GLN 26 HB1 GLN 26 -24.072 -8.177 11.976 214 HG2 GLN 26 HG2 GLN 26 -23.205 -10.310 13.090 215 HG3 GLN 26 HG1 GLN 26 -23.457 -9.493 14.630 216 HE21 GLN 26 HE21 GLN 26 -25.100 -11.333 14.933 217 HE22 GLN 26 HE22 GLN 26 -26.660 -11.098 14.308 218 H GLY 27 HN GLY 27 -21.250 -10.188 13.663 219 HA2 GLY 27 HA2 GLY 27 -20.814 -9.456 16.348 220 HA3 GLY 27 HA1 GLY 27 -20.133 -10.875 15.556 221 H ILE 28 HN ILE 28 -18.715 -9.399 13.523 222 HA ILE 28 HA ILE 28 -16.300 -8.884 14.939 223 HB ILE 28 HB ILE 28 -17.001 -8.233 12.067 224 HG12 ILE 28 HG12 ILE 28 -17.205 -10.707 12.978 225 HG13 ILE 28 HG11 ILE 28 -16.344 -10.405 11.471 226 HG21 ILE 28 HG21 ILE 28 -15.000 -7.066 12.553 227 HG22 ILE 28 HG22 ILE 28 -14.427 -8.594 11.885 228 HG23 ILE 28 HG23 ILE 28 -14.416 -8.337 13.629 229 HD11 ILE 28 HD11 ILE 28 -14.231 -10.676 12.464 230 HD12 ILE 28 HD12 ILE 28 -15.195 -11.911 13.271 231 HD13 ILE 28 HD13 ILE 28 -14.844 -10.394 14.090 232 H LEU 29 HN LEU 29 -18.945 -6.934 13.940 233 HA LEU 29 HA LEU 29 -17.434 -4.448 14.307 234 HB2 LEU 29 HB2 LEU 29 -18.958 -4.561 12.431 235 HB3 LEU 29 HB1 LEU 29 -20.297 -4.979 13.499 236 HG LEU 29 HG LEU 29 -18.862 -2.502 14.330 237 HD11 LEU 29 HD11 LEU 29 -19.833 -1.095 12.560 238 HD12 LEU 29 HD12 LEU 29 -20.403 -2.537 11.721 239 HD13 LEU 29 HD13 LEU 29 -18.673 -2.245 11.895 240 HD21 LEU 29 HD21 LEU 29 -21.774 -3.147 13.753 241 HD22 LEU 29 HD22 LEU 29 -21.188 -1.685 14.544 242 HD23 LEU 29 HD23 LEU 29 -20.992 -3.251 15.329 243 H ASP 30 HN ASP 30 -20.151 -6.218 15.743 244 HA ASP 30 HA ASP 30 -20.826 -4.320 17.703 245 HB2 ASP 30 HB2 ASP 30 -21.147 -7.320 17.607 246 HB3 ASP 30 HB1 ASP 30 -21.788 -6.330 18.918 247 H GLN 31 HN GLN 31 -18.569 -7.057 17.799 248 HA GLN 31 HA GLN 31 -17.879 -6.803 20.528 249 HB2 GLN 31 HB2 GLN 31 -16.638 -8.112 18.126 250 HB3 GLN 31 HB1 GLN 31 -15.689 -7.981 19.606 251 HG2 GLN 31 HG2 GLN 31 -16.907 -10.113 19.539 252 HG3 GLN 31 HG1 GLN 31 -17.474 -9.097 20.865 253 HE21 GLN 31 HE21 GLN 31 -18.575 -11.003 18.318 254 HE22 GLN 31 HE22 GLN 31 -20.123 -10.329 18.144 255 H LEU 32 HN LEU 32 -16.335 -5.524 17.597 256 HA LEU 32 HA LEU 32 -14.209 -4.224 18.917 257 HB2 LEU 32 HB2 LEU 32 -15.531 -3.964 16.234 258 HB3 LEU 32 HB1 LEU 32 -14.373 -2.730 16.720 259 HG LEU 32 HG LEU 32 -13.399 -4.683 15.410 260 HD11 LEU 32 HD11 LEU 32 -12.095 -4.698 18.119 261 HD12 LEU 32 HD12 LEU 32 -12.216 -3.152 17.282 262 HD13 LEU 32 HD13 LEU 32 -11.377 -4.500 16.526 263 HD21 LEU 32 HD21 LEU 32 -13.235 -6.837 16.382 264 HD22 LEU 32 HD22 LEU 32 -14.883 -6.357 16.760 265 HD23 LEU 32 HD23 LEU 32 -13.635 -6.247 17.991 266 H ASP 33 HN ASP 33 -17.442 -3.154 18.074 267 HA ASP 33 HA ASP 33 -17.081 -0.463 18.914 268 HB2 ASP 33 HB2 ASP 33 -19.529 -2.197 18.586 269 HB3 ASP 33 HB1 ASP 33 -19.616 -0.505 19.076 270 H LEU 34 HN LEU 34 -18.300 -3.379 20.530 271 HA LEU 34 HA LEU 34 -18.924 -2.077 22.969 272 HB2 LEU 34 HB2 LEU 34 -19.931 -4.230 22.364 273 HB3 LEU 34 HB1 LEU 34 -18.348 -5.004 22.422 274 HG LEU 34 HG LEU 34 -18.161 -4.450 24.829 275 HD11 LEU 34 HD11 LEU 34 -19.356 -2.489 25.218 276 HD12 LEU 34 HD12 LEU 34 -20.494 -3.680 25.844 277 HD13 LEU 34 HD13 LEU 34 -20.728 -2.994 24.235 278 HD21 LEU 34 HD21 LEU 34 -19.836 -6.000 25.645 279 HD22 LEU 34 HD22 LEU 34 -19.248 -6.574 24.084 280 HD23 LEU 34 HD23 LEU 34 -20.814 -5.768 24.197 281 H VAL 35 HN VAL 35 -16.170 -4.095 21.986 282 HA VAL 35 HA VAL 35 -14.777 -3.997 24.402 283 HB VAL 35 HB VAL 35 -14.338 -5.356 22.175 284 HG11 VAL 35 HG11 VAL 35 -12.733 -4.478 20.693 285 HG12 VAL 35 HG12 VAL 35 -12.245 -3.214 21.821 286 HG13 VAL 35 HG13 VAL 35 -13.794 -3.116 21.012 287 HG21 VAL 35 HG21 VAL 35 -12.134 -4.321 23.983 288 HG22 VAL 35 HG22 VAL 35 -11.975 -5.720 22.922 289 HG23 VAL 35 HG23 VAL 35 -13.125 -5.749 24.256 290 H HIS 36 HN HIS 36 -15.149 -1.628 21.904 291 HA HIS 36 HA HIS 36 -12.887 -0.022 22.688 292 HB2 HIS 36 HB2 HIS 36 -13.740 0.011 20.375 293 HB3 HIS 36 HB1 HIS 36 -15.272 0.668 20.951 294 HD2 HIS 36 HD2 HIS 36 -11.574 1.865 20.376 295 HE1 HIS 36 HE1 HIS 36 -13.875 5.216 21.517 296 HE2 HIS 36 HE2 HIS 36 -11.604 4.460 20.667 297 H GLN 37 HN GLN 37 -16.407 0.103 23.143 298 HA GLN 37 HA GLN 37 -16.205 2.483 24.805 299 HB2 GLN 37 HB2 GLN 37 -18.141 2.006 23.238 300 HB3 GLN 37 HB1 GLN 37 -18.629 0.730 24.353 301 HG2 GLN 37 HG2 GLN 37 -19.868 2.729 24.923 302 HG3 GLN 37 HG1 GLN 37 -18.679 2.449 26.190 303 HE21 GLN 37 HE21 GLN 37 -18.252 4.618 26.819 304 HE22 GLN 37 HE22 GLN 37 -17.633 5.789 25.757 305 H ALA 38 HN ALA 38 -16.238 -0.941 25.202 306 HA ALA 38 HA ALA 38 -17.136 -0.970 27.930 307 HB1 ALA 38 HB1 ALA 38 -15.638 -3.060 26.342 308 HB2 ALA 38 HB2 ALA 38 -17.389 -2.943 26.490 309 HB3 ALA 38 HB3 ALA 38 -16.405 -3.318 27.906 310 H LYS 39 HN LYS 39 -15.761 -1.770 29.711 311 HA LYS 39 HA LYS 39 -12.906 -1.440 29.522 312 HB2 LYS 39 HB2 LYS 39 -13.104 0.412 31.438 313 HB3 LYS 39 HB1 LYS 39 -13.114 0.859 29.733 314 HG2 LYS 39 HG2 LYS 39 -14.946 1.961 30.975 315 HG3 LYS 39 HG1 LYS 39 -15.570 0.884 29.728 316 HD2 LYS 39 HD2 LYS 39 -16.194 -0.770 31.295 317 HD3 LYS 39 HD1 LYS 39 -15.177 -0.084 32.564 318 HE2 LYS 39 HE2 LYS 39 -17.538 0.438 32.982 319 HE3 LYS 39 HE1 LYS 39 -16.637 1.912 32.629 320 HZ1 LYS 39 HZ1 LYS 39 -17.476 0.943 30.191 321 HZ2 LYS 39 HZ2 LYS 39 -18.093 2.291 31.022 322 HZ3 LYS 39 HZ3 LYS 39 -18.815 0.765 31.217 323 H GLY 40 HN GLY 40 -11.889 -1.636 31.740 324 HA2 GLY 40 HA2 GLY 40 -11.682 -2.682 33.787 325 HA3 GLY 40 HA1 GLY 40 -13.440 -2.674 33.907 326 H ARG 41 HN ARG 41 -13.641 -4.784 34.632 327 HA ARG 41 HA ARG 41 -12.356 -7.015 33.418 328 HB2 ARG 41 HB2 ARG 41 -14.905 -6.988 35.046 329 HB3 ARG 41 HB1 ARG 41 -13.846 -8.368 34.764 330 HG2 ARG 41 HG2 ARG 41 -12.743 -7.772 36.684 331 HG3 ARG 41 HG1 ARG 41 -12.083 -6.415 35.776 332 HD2 ARG 41 HD2 ARG 41 -13.100 -5.489 37.731 333 HD3 ARG 41 HD1 ARG 41 -14.182 -5.129 36.388 334 HE ARG 41 HE ARG 41 -14.871 -7.595 37.680 335 HH11 ARG 41 HH21 ARG 41 -15.065 -4.146 37.848 336 HH12 ARG 41 HH22 ARG 41 -16.519 -4.135 38.789 337 HH21 ARG 41 HH11 ARG 41 -16.780 -7.591 38.914 338 HH22 ARG 41 HH12 ARG 41 -17.489 -6.085 39.392 339 H ASP 42 HN ASP 42 -15.163 -5.176 32.640 340 HA ASP 42 HA ASP 42 -16.631 -7.116 31.204 341 HB2 ASP 42 HB2 ASP 42 -17.567 -4.938 31.890 342 HB3 ASP 42 HB1 ASP 42 -16.488 -4.124 30.757 343 H GLN 43 HN GLN 43 -13.946 -5.017 30.321 344 HA GLN 43 HA GLN 43 -14.067 -5.434 27.520 345 HB2 GLN 43 HB2 GLN 43 -12.777 -3.613 28.665 346 HB3 GLN 43 HB1 GLN 43 -11.607 -4.829 29.175 347 HG2 GLN 43 HG2 GLN 43 -11.224 -5.434 26.799 348 HG3 GLN 43 HG1 GLN 43 -12.357 -4.172 26.312 349 HE21 GLN 43 HE21 GLN 43 -10.958 -2.641 25.355 350 HE22 GLN 43 HE22 GLN 43 -9.640 -1.936 26.159 351 H ILE 44 HN ILE 44 -12.714 -7.278 30.160 352 HA ILE 44 HA ILE 44 -10.975 -8.937 28.665 353 HB ILE 44 HB ILE 44 -12.431 -9.424 31.268 354 HG12 ILE 44 HG12 ILE 44 -9.525 -8.751 30.709 355 HG13 ILE 44 HG11 ILE 44 -10.741 -7.544 31.142 356 HG21 ILE 44 HG21 ILE 44 -10.302 -11.022 29.835 357 HG22 ILE 44 HG22 ILE 44 -11.877 -11.584 30.395 358 HG23 ILE 44 HG23 ILE 44 -10.617 -11.190 31.561 359 HD11 ILE 44 HD11 ILE 44 -9.658 -9.807 32.817 360 HD12 ILE 44 HD12 ILE 44 -11.210 -9.064 33.202 361 HD13 ILE 44 HD13 ILE 44 -9.740 -8.092 33.211 362 H ALA 45 HN ALA 45 -14.387 -9.265 29.589 363 HA ALA 45 HA ALA 45 -14.824 -11.858 28.634 364 HB1 ALA 45 HB1 ALA 45 -16.423 -10.491 30.011 365 HB2 ALA 45 HB2 ALA 45 -17.170 -11.303 28.634 366 HB3 ALA 45 HB3 ALA 45 -16.811 -9.578 28.552 367 H ALA 46 HN ALA 46 -14.959 -8.739 26.958 368 HA ALA 46 HA ALA 46 -15.934 -9.720 24.491 369 HB1 ALA 46 HB1 ALA 46 -14.717 -7.541 23.649 370 HB2 ALA 46 HB2 ALA 46 -14.513 -7.233 25.373 371 HB3 ALA 46 HB3 ALA 46 -16.130 -7.406 24.698 372 H SER 47 HN SER 47 -12.685 -9.312 25.806 373 HA SER 47 HA SER 47 -11.265 -9.847 23.446 374 HB2 SER 47 HB2 SER 47 -9.350 -10.224 24.870 375 HB3 SER 47 HB1 SER 47 -10.289 -8.897 25.545 376 HG SER 47 HG SER 47 -9.655 -11.261 26.636 377 H PHE 48 HN PHE 48 -12.556 -11.964 25.952 378 HA PHE 48 HA PHE 48 -11.356 -14.368 25.108 379 HB2 PHE 48 HB2 PHE 48 -12.487 -14.119 27.281 380 HB3 PHE 48 HB1 PHE 48 -14.037 -13.955 26.455 381 HD1 PHE 48 HD1 PHE 48 -11.140 -16.266 26.920 382 HD2 PHE 48 HD2 PHE 48 -15.264 -15.869 25.785 383 HE1 PHE 48 HE1 PHE 48 -11.357 -18.735 26.838 384 HE2 PHE 48 HE2 PHE 48 -15.480 -18.337 25.704 385 HZ PHE 48 HZ PHE 48 -13.526 -19.770 26.230 386 H GLU 49 HN GLU 49 -14.485 -12.896 24.265 387 HA GLU 49 HA GLU 49 -15.331 -14.982 22.538 388 HB2 GLU 49 HB2 GLU 49 -16.796 -13.188 23.553 389 HB3 GLU 49 HB1 GLU 49 -16.125 -12.070 22.365 390 HG2 GLU 49 HG2 GLU 49 -18.154 -12.913 21.415 391 HG3 GLU 49 HG1 GLU 49 -16.839 -13.731 20.577 392 H LEU 50 HN LEU 50 -13.629 -11.925 21.969 393 HA LEU 50 HA LEU 50 -13.550 -12.086 19.156 394 HB2 LEU 50 HB2 LEU 50 -11.859 -10.669 21.212 395 HB3 LEU 50 HB1 LEU 50 -11.451 -10.585 19.500 396 HG LEU 50 HG LEU 50 -14.180 -9.883 20.620 397 HD11 LEU 50 HD11 LEU 50 -12.336 -8.369 21.422 398 HD12 LEU 50 HD12 LEU 50 -13.544 -7.557 20.425 399 HD13 LEU 50 HD13 LEU 50 -11.983 -7.997 19.734 400 HD21 LEU 50 HD21 LEU 50 -14.672 -10.169 18.397 401 HD22 LEU 50 HD22 LEU 50 -12.992 -10.031 17.881 402 HD23 LEU 50 HD23 LEU 50 -13.936 -8.580 18.210 403 H ASN 51 HN ASN 51 -11.386 -13.321 21.653 404 HA ASN 51 HA ASN 51 -9.277 -14.159 20.008 405 HB2 ASN 51 HB2 ASN 51 -10.336 -15.260 22.617 406 HB3 ASN 51 HB1 ASN 51 -8.858 -15.843 21.854 407 HD21 ASN 51 HD21 ASN 51 -8.753 -12.748 20.908 408 HD22 ASN 51 HD22 ASN 51 -7.968 -12.035 22.229 409 H LYS 52 HN LYS 52 -12.288 -15.784 20.915 410 HA LYS 52 HA LYS 52 -11.711 -18.269 19.694 411 HB2 LYS 52 HB2 LYS 52 -14.378 -16.917 20.210 412 HB3 LYS 52 HB1 LYS 52 -14.172 -18.615 19.776 413 HG2 LYS 52 HG2 LYS 52 -12.826 -17.348 22.166 414 HG3 LYS 52 HG1 LYS 52 -14.396 -18.137 22.269 415 HD2 LYS 52 HD2 LYS 52 -13.334 -20.148 22.511 416 HD3 LYS 52 HD1 LYS 52 -12.684 -19.986 20.883 417 HE2 LYS 52 HE2 LYS 52 -10.821 -18.595 21.853 418 HE3 LYS 52 HE1 LYS 52 -11.426 -19.017 23.458 419 HZ1 LYS 52 HZ1 LYS 52 -11.200 -21.309 21.800 420 HZ2 LYS 52 HZ2 LYS 52 -10.502 -21.007 23.320 421 HZ3 LYS 52 HZ3 LYS 52 -9.715 -20.495 21.903 422 H LYS 53 HN LYS 53 -13.383 -15.369 18.525 423 HA LYS 53 HA LYS 53 -14.056 -16.408 15.976 424 HB2 LYS 53 HB2 LYS 53 -13.677 -13.569 16.950 425 HB3 LYS 53 HB1 LYS 53 -14.282 -13.976 15.344 426 HG2 LYS 53 HG2 LYS 53 -16.115 -15.280 16.403 427 HG3 LYS 53 HG1 LYS 53 -15.532 -14.764 17.986 428 HD2 LYS 53 HD2 LYS 53 -15.874 -12.402 17.345 429 HD3 LYS 53 HD1 LYS 53 -16.468 -12.919 15.767 430 HE2 LYS 53 HE2 LYS 53 -18.185 -14.325 17.086 431 HE3 LYS 53 HE1 LYS 53 -17.728 -13.330 18.466 432 HZ1 LYS 53 HZ1 LYS 53 -19.420 -12.095 17.612 433 HZ2 LYS 53 HZ2 LYS 53 -19.122 -12.571 16.008 434 HZ3 LYS 53 HZ3 LYS 53 -18.123 -11.416 16.755 435 H ILE 54 HN ILE 54 -11.337 -14.382 17.070 436 HA ILE 54 HA ILE 54 -10.084 -14.233 14.528 437 HB ILE 54 HB ILE 54 -8.977 -13.886 17.327 438 HG12 ILE 54 HG12 ILE 54 -9.683 -11.826 15.216 439 HG13 ILE 54 HG11 ILE 54 -10.782 -12.306 16.507 440 HG21 ILE 54 HG21 ILE 54 -7.103 -14.371 15.908 441 HG22 ILE 54 HG22 ILE 54 -7.157 -12.612 16.061 442 HG23 ILE 54 HG23 ILE 54 -7.759 -13.388 14.597 443 HD11 ILE 54 HD11 ILE 54 -9.490 -10.258 17.085 444 HD12 ILE 54 HD12 ILE 54 -7.998 -11.186 16.941 445 HD13 ILE 54 HD13 ILE 54 -9.169 -11.587 18.196 446 H ASN 55 HN ASN 55 -9.559 -16.324 17.354 447 HA ASN 55 HA ASN 55 -7.391 -17.776 16.268 448 HB2 ASN 55 HB2 ASN 55 -7.908 -17.789 18.664 449 HB3 ASN 55 HB1 ASN 55 -9.430 -18.618 18.343 450 HD21 ASN 55 HD21 ASN 55 -7.774 -19.983 20.025 451 HD22 ASN 55 HD22 ASN 55 -7.008 -21.272 19.228 452 H ASP 56 HN ASP 56 -10.884 -18.418 16.337 453 HA ASP 56 HA ASP 56 -10.793 -20.924 15.043 454 HB2 ASP 56 HB2 ASP 56 -12.772 -20.167 16.259 455 HB3 ASP 56 HB1 ASP 56 -13.004 -18.857 15.102 456 H TYR 57 HN TYR 57 -11.066 -17.625 13.810 457 HA TYR 57 HA TYR 57 -11.633 -18.194 11.133 458 HB2 TYR 57 HB2 TYR 57 -11.703 -15.922 12.090 459 HB3 TYR 57 HB1 TYR 57 -9.947 -15.937 12.246 460 HD1 TYR 57 HD1 TYR 57 -12.722 -16.219 9.766 461 HD2 TYR 57 HD2 TYR 57 -8.557 -15.379 10.404 462 HE1 TYR 57 HE1 TYR 57 -12.513 -15.469 7.412 463 HE2 TYR 57 HE2 TYR 57 -8.350 -14.631 8.050 464 HH TYR 57 HH TYR 57 -11.093 -14.093 6.042 465 H ILE 58 HN ILE 58 -8.526 -18.005 12.834 466 HA ILE 58 HA ILE 58 -6.861 -18.307 10.578 467 HB ILE 58 HB ILE 58 -6.443 -19.046 13.482 468 HG12 ILE 58 HG12 ILE 58 -5.303 -16.756 11.854 469 HG13 ILE 58 HG11 ILE 58 -6.788 -16.613 12.803 470 HG21 ILE 58 HG21 ILE 58 -4.571 -19.107 11.108 471 HG22 ILE 58 HG22 ILE 58 -4.884 -20.387 12.280 472 HG23 ILE 58 HG23 ILE 58 -3.976 -18.953 12.761 473 HD11 ILE 58 HD11 ILE 58 -5.463 -17.401 14.814 474 HD12 ILE 58 HD12 ILE 58 -4.979 -15.825 14.188 475 HD13 ILE 58 HD13 ILE 58 -4.008 -17.253 13.827 476 H ALA 59 HN ALA 59 -8.285 -20.690 12.795 477 HA ALA 59 HA ALA 59 -7.055 -22.975 11.692 478 HB1 ALA 59 HB1 ALA 59 -8.108 -23.153 13.836 479 HB2 ALA 59 HB2 ALA 59 -9.009 -24.193 12.733 480 HB3 ALA 59 HB3 ALA 59 -9.657 -22.617 13.185 481 H GLU 60 HN GLU 60 -9.977 -21.206 10.838 482 HA GLU 60 HA GLU 60 -10.952 -23.135 8.966 483 HB2 GLU 60 HB2 GLU 60 -11.537 -20.193 9.351 484 HB3 GLU 60 HB1 GLU 60 -12.375 -21.211 8.179 485 HG2 GLU 60 HG2 GLU 60 -12.218 -21.845 11.135 486 HG3 GLU 60 HG1 GLU 60 -13.565 -20.980 10.396 487 H HIS 61 HN HIS 61 -8.986 -20.200 8.705 488 HA HIS 61 HA HIS 61 -8.144 -21.068 6.004 489 HB2 HIS 61 HB2 HIS 61 -8.708 -18.181 6.641 490 HB3 HIS 61 HB1 HIS 61 -8.452 -18.934 5.068 491 HD2 HIS 61 HD2 HIS 61 -10.644 -21.099 4.697 492 HE1 HIS 61 HE1 HIS 61 -13.442 -18.542 6.558 493 HE2 HIS 61 HE2 HIS 61 -13.176 -20.613 5.112 494 HA PRO 62 HA PRO 62 -4.644 -19.770 8.809 495 HB2 PRO 62 HB2 PRO 62 -3.284 -22.150 8.819 496 HB3 PRO 62 HB1 PRO 62 -4.581 -21.773 9.970 497 HG2 PRO 62 HG2 PRO 62 -4.666 -23.456 7.510 498 HG3 PRO 62 HG1 PRO 62 -5.483 -23.692 9.065 499 HD2 PRO 62 HD2 PRO 62 -6.714 -22.669 6.806 500 HD3 PRO 62 HD1 PRO 62 -7.273 -22.362 8.460 501 H THR 63 HN THR 63 -4.906 -21.367 5.730 502 HA THR 63 HA THR 63 -2.175 -20.971 4.929 503 HB THR 63 HB THR 63 -2.983 -21.645 2.697 504 HG1 THR 63 HG1 THR 63 -4.969 -21.135 2.305 505 HG21 THR 63 HG21 THR 63 -2.453 -23.421 4.251 506 HG22 THR 63 HG22 THR 63 -3.924 -23.873 3.390 507 HG23 THR 63 HG23 THR 63 -4.021 -23.259 5.041 508 H SER 64 HN SER 64 -5.080 -19.086 4.895 509 HA SER 64 HA SER 64 -4.334 -17.260 2.833 510 HB2 SER 64 HB2 SER 64 -6.657 -17.447 3.471 511 HB3 SER 64 HB1 SER 64 -6.282 -17.013 5.135 512 HG SER 64 HG SER 64 -6.639 -15.055 4.454 513 H GLY 65 HN GLY 65 -3.252 -15.343 2.929 514 HA2 GLY 65 HA2 GLY 65 -1.524 -14.916 5.217 515 HA3 GLY 65 HA1 GLY 65 -1.516 -14.003 3.711 516 H ARG 66 HN ARG 66 -4.544 -13.713 4.083 517 HA ARG 66 HA ARG 66 -4.507 -11.129 5.234 518 HB2 ARG 66 HB2 ARG 66 -6.672 -13.029 4.371 519 HB3 ARG 66 HB1 ARG 66 -7.105 -11.566 5.255 520 HG2 ARG 66 HG2 ARG 66 -7.182 -11.152 2.841 521 HG3 ARG 66 HG1 ARG 66 -5.887 -10.208 3.575 522 HD2 ARG 66 HD2 ARG 66 -5.249 -11.391 1.435 523 HD3 ARG 66 HD1 ARG 66 -4.220 -11.759 2.814 524 HE ARG 66 HE ARG 66 -6.344 -13.644 2.650 525 HH11 ARG 66 HH21 ARG 66 -3.387 -12.665 1.142 526 HH12 ARG 66 HH22 ARG 66 -3.008 -14.246 0.543 527 HH21 ARG 66 HH11 ARG 66 -5.854 -15.719 1.869 528 HH22 ARG 66 HH12 ARG 66 -4.405 -15.975 0.954 529 H ASN 67 HN ASN 67 -5.253 -14.303 6.534 530 HA ASN 67 HA ASN 67 -6.482 -13.538 8.930 531 HB2 ASN 67 HB2 ASN 67 -5.897 -15.732 9.753 532 HB3 ASN 67 HB1 ASN 67 -6.320 -15.876 8.047 533 HD21 ASN 67 HD21 ASN 67 -4.730 -17.896 9.083 534 HD22 ASN 67 HD22 ASN 67 -3.135 -17.735 8.527 535 H GLN 68 HN GLN 68 -3.262 -13.116 7.874 536 HA GLN 68 HA GLN 68 -1.886 -13.178 10.347 537 HB2 GLN 68 HB2 GLN 68 -1.304 -11.586 7.838 538 HB3 GLN 68 HB1 GLN 68 -0.180 -11.818 9.175 539 HG2 GLN 68 HG2 GLN 68 -1.418 -14.079 7.583 540 HG3 GLN 68 HG1 GLN 68 0.191 -13.424 7.284 541 HE21 GLN 68 HE21 GLN 68 -1.134 -16.047 8.657 542 HE22 GLN 68 HE22 GLN 68 -0.076 -16.291 9.962 543 H ALA 69 HN ALA 69 -3.591 -10.596 8.620 544 HA ALA 69 HA ALA 69 -2.887 -8.532 10.485 545 HB1 ALA 69 HB1 ALA 69 -4.589 -7.209 9.317 546 HB2 ALA 69 HB2 ALA 69 -5.175 -8.659 8.502 547 HB3 ALA 69 HB3 ALA 69 -3.557 -8.045 8.157 548 H LEU 70 HN LEU 70 -5.604 -10.747 10.125 549 HA LEU 70 HA LEU 70 -7.275 -9.566 12.065 550 HB2 LEU 70 HB2 LEU 70 -7.808 -11.414 10.313 551 HB3 LEU 70 HB1 LEU 70 -7.198 -12.531 11.533 552 HG LEU 70 HG LEU 70 -8.838 -11.218 13.143 553 HD11 LEU 70 HD11 LEU 70 -10.889 -10.484 11.917 554 HD12 LEU 70 HD12 LEU 70 -10.022 -10.693 10.398 555 HD13 LEU 70 HD13 LEU 70 -9.491 -9.475 11.555 556 HD21 LEU 70 HD21 LEU 70 -9.040 -13.600 12.544 557 HD22 LEU 70 HD22 LEU 70 -9.840 -13.158 11.036 558 HD23 LEU 70 HD23 LEU 70 -10.625 -12.828 12.581 559 H THR 71 HN THR 71 -4.708 -11.963 12.286 560 HA THR 71 HA THR 71 -5.128 -12.744 14.956 561 HB THR 71 HB THR 71 -2.471 -12.610 13.522 562 HG1 THR 71 HG1 THR 71 -3.049 -14.756 12.893 563 HG21 THR 71 HG21 THR 71 -2.196 -13.144 15.846 564 HG22 THR 71 HG22 THR 71 -2.081 -14.663 14.959 565 HG23 THR 71 HG23 THR 71 -3.567 -14.253 15.816 566 H GLN 72 HN GLN 72 -3.787 -9.877 13.584 567 HA GLN 72 HA GLN 72 -2.117 -9.035 15.685 568 HB2 GLN 72 HB2 GLN 72 -3.727 -7.390 13.733 569 HB3 GLN 72 HB1 GLN 72 -2.438 -6.769 14.753 570 HG2 GLN 72 HG2 GLN 72 -2.072 -9.026 12.775 571 HG3 GLN 72 HG1 GLN 72 -1.694 -7.345 12.416 572 HE21 GLN 72 HE21 GLN 72 0.238 -6.450 13.325 573 HE22 GLN 72 HE22 GLN 72 1.340 -7.374 14.228 574 H LEU 73 HN LEU 73 -5.589 -8.806 15.209 575 HA LEU 73 HA LEU 73 -6.151 -6.935 17.239 576 HB2 LEU 73 HB2 LEU 73 -7.742 -9.104 15.888 577 HB3 LEU 73 HB1 LEU 73 -8.446 -8.176 17.213 578 HG LEU 73 HG LEU 73 -7.109 -6.665 14.969 579 HD11 LEU 73 HD11 LEU 73 -8.519 -8.179 13.731 580 HD12 LEU 73 HD12 LEU 73 -9.345 -6.622 13.804 581 HD13 LEU 73 HD13 LEU 73 -9.853 -7.942 14.858 582 HD21 LEU 73 HD21 LEU 73 -8.834 -5.011 15.557 583 HD22 LEU 73 HD22 LEU 73 -7.953 -5.504 17.001 584 HD23 LEU 73 HD23 LEU 73 -9.562 -6.151 16.685 585 H LYS 74 HN LYS 74 -5.815 -10.449 17.296 586 HA LYS 74 HA LYS 74 -6.768 -10.945 19.871 587 HB2 LYS 74 HB2 LYS 74 -6.139 -12.669 18.189 588 HB3 LYS 74 HB1 LYS 74 -4.441 -12.320 18.509 589 HG2 LYS 74 HG2 LYS 74 -4.822 -12.876 20.922 590 HG3 LYS 74 HG1 LYS 74 -6.477 -13.329 20.519 591 HD2 LYS 74 HD2 LYS 74 -4.117 -14.570 19.097 592 HD3 LYS 74 HD1 LYS 74 -4.711 -15.218 20.625 593 HE2 LYS 74 HE2 LYS 74 -7.004 -15.374 19.565 594 HE3 LYS 74 HE1 LYS 74 -6.253 -14.952 18.029 595 HZ1 LYS 74 HZ1 LYS 74 -6.024 -17.155 17.870 596 HZ2 LYS 74 HZ2 LYS 74 -6.109 -17.410 19.547 597 HZ3 LYS 74 HZ3 LYS 74 -4.653 -16.901 18.835 598 H GLU 75 HN GLU 75 -3.386 -10.393 18.860 599 HA GLU 75 HA GLU 75 -2.364 -10.288 21.511 600 HB2 GLU 75 HB2 GLU 75 -0.352 -9.267 20.410 601 HB3 GLU 75 HB1 GLU 75 -0.870 -10.788 19.683 602 HG2 GLU 75 HG2 GLU 75 -2.096 -9.530 17.946 603 HG3 GLU 75 HG1 GLU 75 -1.541 -8.016 18.655 604 H GLN 76 HN GLN 76 -3.647 -7.868 19.303 605 HA GLN 76 HA GLN 76 -2.752 -5.565 20.672 606 HB2 GLN 76 HB2 GLN 76 -3.750 -5.663 18.346 607 HB3 GLN 76 HB1 GLN 76 -5.329 -5.814 19.116 608 HG2 GLN 76 HG2 GLN 76 -5.040 -3.485 18.684 609 HG3 GLN 76 HG1 GLN 76 -4.753 -3.693 20.411 610 HE21 GLN 76 HE21 GLN 76 -3.227 -2.895 17.341 611 HE22 GLN 76 HE22 GLN 76 -1.717 -2.478 17.992 612 H VAL 77 HN VAL 77 -5.922 -7.213 20.783 613 HA VAL 77 HA VAL 77 -7.012 -5.629 22.844 614 HB VAL 77 HB VAL 77 -7.639 -8.478 22.041 615 HG11 VAL 77 HG11 VAL 77 -8.513 -8.143 24.239 616 HG12 VAL 77 HG12 VAL 77 -9.868 -7.887 23.139 617 HG13 VAL 77 HG13 VAL 77 -9.040 -6.506 23.858 618 HG21 VAL 77 HG21 VAL 77 -9.080 -5.897 21.377 619 HG22 VAL 77 HG22 VAL 77 -9.389 -7.498 20.704 620 HG23 VAL 77 HG23 VAL 77 -7.895 -6.647 20.307 621 H THR 78 HN THR 78 -5.286 -8.732 22.923 622 HA THR 78 HA THR 78 -5.492 -9.219 25.680 623 HB THR 78 HB THR 78 -3.154 -9.964 23.920 624 HG1 THR 78 HG1 THR 78 -4.408 -11.815 23.469 625 HG21 THR 78 HG21 THR 78 -2.978 -11.868 25.434 626 HG22 THR 78 HG22 THR 78 -4.394 -11.315 26.329 627 HG23 THR 78 HG23 THR 78 -2.908 -10.365 26.354 628 H SER 79 HN SER 79 -3.042 -7.457 23.820 629 HA SER 79 HA SER 79 -1.307 -6.893 25.971 630 HB2 SER 79 HB2 SER 79 -0.442 -6.561 23.794 631 HB3 SER 79 HB1 SER 79 -1.799 -5.544 23.321 632 HG SER 79 HG SER 79 -0.984 -3.903 24.461 633 H ALA 80 HN ALA 80 -4.125 -5.186 24.687 634 HA ALA 80 HA ALA 80 -3.894 -2.813 26.145 635 HB1 ALA 80 HB1 ALA 80 -5.511 -2.885 24.408 636 HB2 ALA 80 HB2 ALA 80 -6.431 -2.743 25.905 637 HB3 ALA 80 HB3 ALA 80 -6.293 -4.304 25.101 638 H LEU 81 HN LEU 81 -5.284 -5.926 27.036 639 HA LEU 81 HA LEU 81 -6.403 -5.092 29.510 640 HB2 LEU 81 HB2 LEU 81 -5.450 -7.830 28.628 641 HB3 LEU 81 HB1 LEU 81 -6.474 -7.505 30.027 642 HG LEU 81 HG LEU 81 -7.185 -6.728 27.185 643 HD11 LEU 81 HD11 LEU 81 -8.840 -8.630 27.389 644 HD12 LEU 81 HD12 LEU 81 -8.021 -9.114 28.871 645 HD13 LEU 81 HD13 LEU 81 -7.157 -9.156 27.335 646 HD21 LEU 81 HD21 LEU 81 -8.466 -5.329 28.559 647 HD22 LEU 81 HD22 LEU 81 -8.562 -6.508 29.865 648 HD23 LEU 81 HD23 LEU 81 -9.536 -6.718 28.412 649 H GLY 82 HN GLY 82 -3.202 -6.065 28.525 650 HA2 GLY 82 HA2 GLY 82 -1.205 -5.635 29.661 651 HA3 GLY 82 HA1 GLY 82 -2.131 -5.193 31.091 652 H LEU 83 HN LEU 83 -3.063 -8.133 29.616 653 HA LEU 83 HA LEU 83 -2.435 -9.677 31.906 654 HB2 LEU 83 HB2 LEU 83 -3.220 -10.463 29.093 655 HB3 LEU 83 HB1 LEU 83 -3.047 -11.618 30.411 656 HG LEU 83 HG LEU 83 -4.840 -9.182 30.590 657 HD11 LEU 83 HD11 LEU 83 -5.700 -10.500 28.762 658 HD12 LEU 83 HD12 LEU 83 -6.707 -10.831 30.172 659 HD13 LEU 83 HD13 LEU 83 -5.482 -11.996 29.672 660 HD21 LEU 83 HD21 LEU 83 -5.945 -10.863 32.302 661 HD22 LEU 83 HD22 LEU 83 -4.514 -9.965 32.779 662 HD23 LEU 83 HD23 LEU 83 -4.367 -11.646 32.275 663 H GLU 84 HN GLU 84 -0.879 -9.322 28.759 664 HA GLU 84 HA GLU 84 1.195 -9.949 28.003 665 HB2 GLU 84 HB2 GLU 84 1.895 -8.538 29.929 666 HB3 GLU 84 HB1 GLU 84 1.893 -9.975 30.949 667 HG2 GLU 84 HG2 GLU 84 3.586 -11.025 29.518 668 HG3 GLU 84 HG1 GLU 84 3.564 -9.626 28.445 669 H HIS 85 HN HIS 85 1.355 -11.691 31.084 670 HA HIS 85 HA HIS 85 2.063 -14.135 29.721 671 HB2 HIS 85 HB2 HIS 85 1.577 -13.528 32.647 672 HB3 HIS 85 HB1 HIS 85 2.171 -15.069 32.027 673 HD2 HIS 85 HD2 HIS 85 3.669 -11.868 33.319 674 HE1 HIS 85 HE1 HIS 85 6.561 -13.408 30.657 675 HE2 HIS 85 HE2 HIS 85 6.140 -11.701 32.490 676 H HIS 86 HN HIS 86 0.036 -14.460 32.484 677 HA HIS 86 HA HIS 86 -2.413 -14.920 31.028 678 HB2 HIS 86 HB2 HIS 86 -1.202 -16.989 30.496 679 HB3 HIS 86 HB1 HIS 86 -0.934 -17.281 32.215 680 HD2 HIS 86 HD2 HIS 86 -2.993 -18.686 33.421 681 HE1 HIS 86 HE1 HIS 86 -5.925 -18.105 30.440 682 HE2 HIS 86 HE2 HIS 86 -5.414 -19.270 32.638 683 H HIS 87 HN HIS 87 -4.109 -15.867 32.538 684 HA HIS 87 HA HIS 87 -3.587 -15.486 35.387 685 HB2 HIS 87 HB2 HIS 87 -5.413 -13.842 35.637 686 HB3 HIS 87 HB1 HIS 87 -4.097 -13.208 34.648 687 HD2 HIS 87 HD2 HIS 87 -7.650 -12.777 34.383 688 HE1 HIS 87 HE1 HIS 87 -6.665 -13.877 30.428 689 HE2 HIS 87 HE2 HIS 87 -8.456 -12.841 31.900 690 H HIS 88 HN HIS 88 -5.321 -16.250 36.718 691 HA HIS 88 HA HIS 88 -7.070 -18.198 35.320 692 HB2 HIS 88 HB2 HIS 88 -5.969 -18.158 38.137 693 HB3 HIS 88 HB1 HIS 88 -7.167 -19.317 37.559 694 HD2 HIS 88 HD2 HIS 88 -6.157 -21.307 35.812 695 HE1 HIS 88 HE1 HIS 88 -2.122 -20.074 35.996 696 HE2 HIS 88 HE2 HIS 88 -3.691 -21.901 35.189 697 H HIS 89 HN HIS 89 -9.162 -17.777 35.261 698 HA HIS 89 HA HIS 89 -10.535 -16.586 37.516 699 HB2 HIS 89 HB2 HIS 89 -10.207 -15.109 34.904 700 HB3 HIS 89 HB1 HIS 89 -11.546 -14.783 36.002 701 HD2 HIS 89 HD2 HIS 89 -10.837 -13.409 38.369 702 HE1 HIS 89 HE1 HIS 89 -6.739 -12.980 37.454 703 HE2 HIS 89 HE2 HIS 89 -8.582 -12.285 39.056 704 H HIS 90 HN HIS 90 -11.885 -16.044 34.410 705 HA HIS 90 HA HIS 90 -13.111 -18.601 34.046 706 HB2 HIS 90 HB2 HIS 90 -15.386 -18.035 34.643 707 HB3 HIS 90 HB1 HIS 90 -14.357 -17.758 36.048 708 HD2 HIS 90 HD2 HIS 90 -16.729 -15.765 33.734 709 HE1 HIS 90 HE1 HIS 90 -14.754 -12.947 36.179 710 HE2 HIS 90 HE2 HIS 90 -16.642 -13.274 34.512 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -19.700 -2.945 24.583 2 H2 MET 1 HT2 MET 1 -20.422 -3.522 26.008 3 H3 MET 1 HT3 MET 1 -21.036 -3.985 24.495 4 HA MET 1 HA MET 1 -18.780 -5.025 25.979 5 HB2 MET 1 HB2 MET 1 -20.681 -6.039 23.854 6 HB3 MET 1 HB1 MET 1 -19.388 -7.024 24.541 7 HG2 MET 1 HG2 MET 1 -20.332 -6.723 26.787 8 HG3 MET 1 HG1 MET 1 -21.604 -5.693 26.129 9 HE1 MET 1 HE1 MET 1 -23.511 -6.914 27.013 10 HE2 MET 1 HE2 MET 1 -22.476 -8.037 27.893 11 HE3 MET 1 HE3 MET 1 -23.806 -8.656 26.915 12 H GLY 2 HN GLY 2 -16.760 -4.631 25.332 13 HA2 GLY 2 HA2 GLY 2 -15.786 -5.235 22.752 14 HA3 GLY 2 HA1 GLY 2 -16.023 -3.516 22.868 15 H GLN 3 HN GLN 3 -13.597 -5.420 22.830 16 HA GLN 3 HA GLN 3 -12.064 -3.898 24.797 17 HB2 GLN 3 HB2 GLN 3 -12.954 -6.504 25.376 18 HB3 GLN 3 HB1 GLN 3 -11.290 -6.722 24.906 19 HG2 GLN 3 HG2 GLN 3 -12.286 -4.808 27.025 20 HG3 GLN 3 HG1 GLN 3 -11.400 -6.302 27.313 21 HE21 GLN 3 HE21 GLN 3 -10.842 -3.123 27.462 22 HE22 GLN 3 HE22 GLN 3 -9.254 -3.041 26.870 23 H ILE 4 HN ILE 4 -12.408 -5.174 21.781 24 HA ILE 4 HA ILE 4 -9.656 -5.787 21.224 25 HB ILE 4 HB ILE 4 -12.090 -5.569 19.525 26 HG12 ILE 4 HG12 ILE 4 -11.853 -7.962 19.307 27 HG13 ILE 4 HG11 ILE 4 -10.281 -7.920 20.083 28 HG21 ILE 4 HG21 ILE 4 -9.223 -6.058 18.721 29 HG22 ILE 4 HG22 ILE 4 -10.304 -4.833 18.083 30 HG23 ILE 4 HG23 ILE 4 -10.581 -6.525 17.709 31 HD11 ILE 4 HD11 ILE 4 -11.220 -7.377 22.211 32 HD12 ILE 4 HD12 ILE 4 -12.251 -8.651 21.556 33 HD13 ILE 4 HD13 ILE 4 -12.782 -6.974 21.487 34 H PHE 5 HN PHE 5 -8.435 -4.670 19.521 35 HA PHE 5 HA PHE 5 -8.110 -1.945 20.060 36 HB2 PHE 5 HB2 PHE 5 -6.485 -3.579 18.926 37 HB3 PHE 5 HB1 PHE 5 -7.351 -3.228 17.432 38 HD1 PHE 5 HD2 PHE 5 -5.214 -1.823 20.096 39 HD2 PHE 5 HD1 PHE 5 -7.224 -1.031 16.391 40 HE1 PHE 5 HE2 PHE 5 -3.932 0.286 19.853 41 HE2 PHE 5 HE1 PHE 5 -5.947 1.079 16.142 42 HZ PHE 5 HZ PHE 5 -4.299 1.737 17.875 43 H THR 6 HN THR 6 -8.280 -0.190 18.367 44 HA THR 6 HA THR 6 -10.976 0.219 17.672 45 HB THR 6 HB THR 6 -8.623 1.613 16.390 46 HG1 THR 6 HG1 THR 6 -8.211 1.762 18.525 47 HG21 THR 6 HG21 THR 6 -11.463 2.424 17.069 48 HG22 THR 6 HG22 THR 6 -10.779 2.213 15.457 49 HG23 THR 6 HG23 THR 6 -10.230 3.538 16.480 50 H VAL 7 HN VAL 7 -11.892 0.499 15.535 51 HA VAL 7 HA VAL 7 -11.425 -1.728 13.844 52 HB VAL 7 HB VAL 7 -13.007 0.807 13.373 53 HG11 VAL 7 HG11 VAL 7 -12.787 -1.780 11.817 54 HG12 VAL 7 HG12 VAL 7 -12.547 -0.136 11.226 55 HG13 VAL 7 HG13 VAL 7 -14.163 -0.689 11.655 56 HG21 VAL 7 HG21 VAL 7 -13.892 -0.459 15.232 57 HG22 VAL 7 HG22 VAL 7 -13.726 -1.972 14.340 58 HG23 VAL 7 HG23 VAL 7 -14.924 -0.781 13.836 59 H GLN 8 HN GLN 8 -10.068 1.435 13.987 60 HA GLN 8 HA GLN 8 -9.336 1.910 11.351 61 HB2 GLN 8 HB2 GLN 8 -7.960 2.570 13.953 62 HB3 GLN 8 HB1 GLN 8 -7.340 3.119 12.395 63 HG2 GLN 8 HG2 GLN 8 -9.488 4.225 11.919 64 HG3 GLN 8 HG1 GLN 8 -10.124 3.667 13.466 65 HE21 GLN 8 HE21 GLN 8 -10.272 6.286 13.470 66 HE22 GLN 8 HE22 GLN 8 -8.964 7.050 14.236 67 H GLU 9 HN GLU 9 -7.702 -0.059 13.804 68 HA GLU 9 HA GLU 9 -5.410 -0.678 12.262 69 HB2 GLU 9 HB2 GLU 9 -5.600 -1.029 14.719 70 HB3 GLU 9 HB1 GLU 9 -6.718 -2.360 14.415 71 HG2 GLU 9 HG2 GLU 9 -4.526 -3.315 14.710 72 HG3 GLU 9 HG1 GLU 9 -4.908 -3.429 12.999 73 H LEU 10 HN LEU 10 -8.463 -2.446 12.765 74 HA LEU 10 HA LEU 10 -7.779 -4.544 10.964 75 HB2 LEU 10 HB2 LEU 10 -9.446 -4.784 12.808 76 HB3 LEU 10 HB1 LEU 10 -10.528 -3.710 11.925 77 HG LEU 10 HG LEU 10 -10.469 -5.291 9.992 78 HD11 LEU 10 HD11 LEU 10 -8.519 -6.535 10.067 79 HD12 LEU 10 HD12 LEU 10 -9.609 -7.689 10.825 80 HD13 LEU 10 HD13 LEU 10 -8.548 -6.697 11.822 81 HD21 LEU 10 HD21 LEU 10 -12.186 -5.399 11.870 82 HD22 LEU 10 HD22 LEU 10 -11.234 -6.725 12.541 83 HD23 LEU 10 HD23 LEU 10 -11.972 -6.888 10.947 84 H LYS 11 HN LYS 11 -9.271 -1.425 10.645 85 HA LYS 11 HA LYS 11 -10.628 -1.752 8.214 86 HB2 LYS 11 HB2 LYS 11 -10.825 0.234 9.694 87 HB3 LYS 11 HB1 LYS 11 -9.208 0.729 9.200 88 HG2 LYS 11 HG2 LYS 11 -9.898 0.967 6.908 89 HG3 LYS 11 HG1 LYS 11 -11.469 0.243 7.246 90 HD2 LYS 11 HD2 LYS 11 -10.668 2.675 8.827 91 HD3 LYS 11 HD1 LYS 11 -11.158 2.903 7.149 92 HE2 LYS 11 HE2 LYS 11 -12.789 1.441 9.244 93 HE3 LYS 11 HE1 LYS 11 -13.082 3.095 8.705 94 HZ1 LYS 11 HZ1 LYS 11 -13.259 2.153 6.406 95 HZ2 LYS 11 HZ2 LYS 11 -14.510 1.706 7.464 96 HZ3 LYS 11 HZ3 LYS 11 -13.265 0.607 7.103 97 H GLU 12 HN GLU 12 -7.245 -0.985 8.903 98 HA GLU 12 HA GLU 12 -6.438 -0.398 6.265 99 HB2 GLU 12 HB2 GLU 12 -4.881 -1.551 8.592 100 HB3 GLU 12 HB1 GLU 12 -4.152 -0.966 7.095 101 HG2 GLU 12 HG2 GLU 12 -5.937 0.722 8.865 102 HG3 GLU 12 HG1 GLU 12 -4.176 0.734 8.957 103 H ARG 13 HN ARG 13 -6.468 -3.451 8.084 104 HA ARG 13 HA ARG 13 -5.346 -5.021 5.993 105 HB2 ARG 13 HB2 ARG 13 -6.992 -5.755 8.419 106 HB3 ARG 13 HB1 ARG 13 -6.289 -6.946 7.327 107 HG2 ARG 13 HG2 ARG 13 -4.433 -4.817 8.343 108 HG3 ARG 13 HG1 ARG 13 -4.971 -6.015 9.517 109 HD2 ARG 13 HD2 ARG 13 -2.895 -6.746 8.425 110 HD3 ARG 13 HD1 ARG 13 -4.225 -7.828 8.024 111 HE ARG 13 HE ARG 13 -4.094 -7.109 5.810 112 HH11 ARG 13 HH21 ARG 13 -2.265 -5.075 7.925 113 HH12 ARG 13 HH22 ARG 13 -1.489 -4.205 6.644 114 HH21 ARG 13 HH11 ARG 13 -3.084 -5.973 4.123 115 HH22 ARG 13 HH12 ARG 13 -1.953 -4.713 4.490 116 H ALA 14 HN ALA 14 -8.606 -4.087 6.856 117 HA ALA 14 HA ALA 14 -9.937 -5.926 5.126 118 HB1 ALA 14 HB1 ALA 14 -11.887 -4.348 5.448 119 HB2 ALA 14 HB2 ALA 14 -10.816 -3.345 6.428 120 HB3 ALA 14 HB3 ALA 14 -11.191 -4.991 6.936 121 H LYS 15 HN LYS 15 -8.033 -3.244 4.493 122 HA LYS 15 HA LYS 15 -9.292 -1.852 2.461 123 HB2 LYS 15 HB2 LYS 15 -7.043 -1.316 3.417 124 HB3 LYS 15 HB1 LYS 15 -6.373 -2.650 2.479 125 HG2 LYS 15 HG2 LYS 15 -7.124 -1.596 0.398 126 HG3 LYS 15 HG1 LYS 15 -7.852 -0.278 1.316 127 HD2 LYS 15 HD2 LYS 15 -5.635 0.323 2.221 128 HD3 LYS 15 HD1 LYS 15 -4.903 -0.985 1.290 129 HE2 LYS 15 HE2 LYS 15 -5.676 0.059 -0.798 130 HE3 LYS 15 HE1 LYS 15 -6.421 1.363 0.123 131 HZ1 LYS 15 HZ1 LYS 15 -3.643 0.921 -0.529 132 HZ2 LYS 15 HZ2 LYS 15 -3.918 1.352 1.091 133 HZ3 LYS 15 HZ3 LYS 15 -4.454 2.365 -0.164 134 H VAL 16 HN VAL 16 -7.708 -5.002 2.340 135 HA VAL 16 HA VAL 16 -7.935 -5.238 -0.531 136 HB VAL 16 HB VAL 16 -7.073 -7.474 -0.220 137 HG11 VAL 16 HG11 VAL 16 -5.791 -5.595 1.787 138 HG12 VAL 16 HG12 VAL 16 -5.499 -5.561 0.047 139 HG13 VAL 16 HG13 VAL 16 -5.011 -6.966 0.995 140 HG21 VAL 16 HG21 VAL 16 -7.826 -6.985 2.668 141 HG22 VAL 16 HG22 VAL 16 -6.688 -8.247 2.200 142 HG23 VAL 16 HG23 VAL 16 -8.352 -8.298 1.617 143 H PHE 17 HN PHE 17 -9.358 -6.570 -1.675 144 HA PHE 17 HA PHE 17 -12.009 -6.720 -0.626 145 HB2 PHE 17 HB2 PHE 17 -12.573 -7.753 -2.769 146 HB3 PHE 17 HB1 PHE 17 -11.525 -6.357 -3.026 147 HD1 PHE 17 HD1 PHE 17 -9.139 -6.657 -3.599 148 HD2 PHE 17 HD2 PHE 17 -11.799 -10.006 -3.205 149 HE1 PHE 17 HE1 PHE 17 -7.491 -8.104 -4.757 150 HE2 PHE 17 HE2 PHE 17 -10.151 -11.452 -4.362 151 HZ PHE 17 HZ PHE 17 -7.997 -10.501 -5.138 152 H ALA 18 HN ALA 18 -12.800 -8.235 0.671 153 HA ALA 18 HA ALA 18 -12.670 -10.984 0.247 154 HB1 ALA 18 HB1 ALA 18 -10.483 -9.895 1.997 155 HB2 ALA 18 HB2 ALA 18 -10.394 -11.150 0.763 156 HB3 ALA 18 HB3 ALA 18 -11.149 -11.497 2.315 157 H LYS 19 HN LYS 19 -14.844 -9.881 0.799 158 HA LYS 19 HA LYS 19 -15.294 -9.671 3.668 159 HB2 LYS 19 HB2 LYS 19 -17.272 -9.169 1.486 160 HB3 LYS 19 HB1 LYS 19 -17.379 -8.689 3.180 161 HG2 LYS 19 HG2 LYS 19 -15.295 -7.728 1.200 162 HG3 LYS 19 HG1 LYS 19 -16.658 -6.787 1.809 163 HD2 LYS 19 HD2 LYS 19 -15.673 -7.331 4.170 164 HD3 LYS 19 HD1 LYS 19 -14.195 -7.720 3.284 165 HE2 LYS 19 HE2 LYS 19 -14.438 -5.435 2.166 166 HE3 LYS 19 HE1 LYS 19 -15.645 -5.078 3.401 167 HZ1 LYS 19 HZ1 LYS 19 -12.876 -5.978 3.976 168 HZ2 LYS 19 HZ2 LYS 19 -14.037 -5.465 5.105 169 HZ3 LYS 19 HZ3 LYS 19 -13.378 -4.358 3.998 170 HA PRO 20 HA PRO 20 -16.529 -14.035 3.585 171 HB2 PRO 20 HB2 PRO 20 -17.642 -13.212 6.247 172 HB3 PRO 20 HB1 PRO 20 -16.604 -14.592 5.840 173 HG2 PRO 20 HG2 PRO 20 -15.638 -12.433 7.083 174 HG3 PRO 20 HG1 PRO 20 -14.680 -13.327 5.887 175 HD2 PRO 20 HD2 PRO 20 -16.038 -10.685 5.617 176 HD3 PRO 20 HD1 PRO 20 -14.548 -11.301 4.855 177 H ILE 21 HN ILE 21 -18.454 -15.083 3.160 178 HA ILE 21 HA ILE 21 -20.702 -13.496 2.400 179 HB ILE 21 HB ILE 21 -20.687 -16.495 2.760 180 HG12 ILE 21 HG12 ILE 21 -18.690 -15.976 1.496 181 HG13 ILE 21 HG11 ILE 21 -19.918 -16.527 0.350 182 HG21 ILE 21 HG21 ILE 21 -22.279 -16.379 0.871 183 HG22 ILE 21 HG22 ILE 21 -22.118 -14.623 0.849 184 HG23 ILE 21 HG23 ILE 21 -22.849 -15.423 2.240 185 HD11 ILE 21 HD11 ILE 21 -19.034 -14.588 -0.671 186 HD12 ILE 21 HD12 ILE 21 -18.946 -13.717 0.857 187 HD13 ILE 21 HD13 ILE 21 -20.509 -14.005 0.098 188 H GLY 22 HN GLY 22 -22.812 -13.527 3.257 189 HA2 GLY 22 HA2 GLY 22 -24.455 -13.896 4.886 190 HA3 GLY 22 HA1 GLY 22 -23.271 -14.754 5.865 191 H ALA 23 HN ALA 23 -22.109 -11.800 4.669 192 HA ALA 23 HA ALA 23 -21.360 -9.950 5.849 193 HB1 ALA 23 HB1 ALA 23 -23.706 -9.405 5.120 194 HB2 ALA 23 HB2 ALA 23 -23.162 -8.517 6.543 195 HB3 ALA 23 HB3 ALA 23 -24.253 -9.891 6.725 196 H SER 24 HN SER 24 -20.811 -12.288 7.278 197 HA SER 24 HA SER 24 -21.708 -11.995 10.011 198 HB2 SER 24 HB2 SER 24 -19.604 -13.754 8.737 199 HB3 SER 24 HB1 SER 24 -20.037 -13.813 10.443 200 HG SER 24 HG SER 24 -22.239 -14.159 9.680 201 H TYR 25 HN TYR 25 -19.242 -10.649 8.071 202 HA TYR 25 HA TYR 25 -17.352 -10.151 10.190 203 HB2 TYR 25 HB2 TYR 25 -16.181 -8.788 8.530 204 HB3 TYR 25 HB1 TYR 25 -16.635 -10.346 7.839 205 HD1 TYR 25 HD2 TYR 25 -17.384 -6.731 7.905 206 HD2 TYR 25 HD1 TYR 25 -18.357 -10.521 6.134 207 HE1 TYR 25 HE2 TYR 25 -18.664 -5.571 6.126 208 HE2 TYR 25 HE1 TYR 25 -19.636 -9.361 4.355 209 HH TYR 25 HH TYR 25 -19.848 -7.250 3.324 210 H GLN 26 HN GLN 26 -20.222 -8.664 9.033 211 HA GLN 26 HA GLN 26 -19.726 -5.973 9.726 212 HB2 GLN 26 HB2 GLN 26 -21.649 -6.741 8.344 213 HB3 GLN 26 HB1 GLN 26 -22.367 -7.455 9.789 214 HG2 GLN 26 HG2 GLN 26 -22.430 -5.246 10.869 215 HG3 GLN 26 HG1 GLN 26 -21.673 -4.522 9.451 216 HE21 GLN 26 HE21 GLN 26 -23.151 -3.595 8.038 217 HE22 GLN 26 HE22 GLN 26 -24.765 -4.085 7.855 218 H GLY 27 HN GLY 27 -21.016 -8.701 11.587 219 HA2 GLY 27 HA2 GLY 27 -21.497 -7.129 13.950 220 HA3 GLY 27 HA1 GLY 27 -21.571 -8.884 13.829 221 H ILE 28 HN ILE 28 -18.780 -8.741 12.573 222 HA ILE 28 HA ILE 28 -17.341 -9.215 14.986 223 HB ILE 28 HB ILE 28 -16.461 -8.986 12.101 224 HG12 ILE 28 HG12 ILE 28 -17.942 -10.943 13.110 225 HG13 ILE 28 HG11 ILE 28 -16.586 -11.324 12.048 226 HG21 ILE 28 HG21 ILE 28 -14.365 -10.180 13.065 227 HG22 ILE 28 HG22 ILE 28 -14.892 -9.546 14.624 228 HG23 ILE 28 HG23 ILE 28 -14.495 -8.440 13.314 229 HD11 ILE 28 HD11 ILE 28 -16.773 -12.638 14.271 230 HD12 ILE 28 HD12 ILE 28 -16.201 -11.164 15.038 231 HD13 ILE 28 HD13 ILE 28 -15.203 -11.977 13.841 232 H LEU 29 HN LEU 29 -17.784 -6.469 12.923 233 HA LEU 29 HA LEU 29 -15.592 -5.004 14.211 234 HB2 LEU 29 HB2 LEU 29 -17.361 -4.558 11.826 235 HB3 LEU 29 HB1 LEU 29 -16.643 -3.146 12.602 236 HG LEU 29 HG LEU 29 -14.401 -4.305 12.415 237 HD11 LEU 29 HD11 LEU 29 -14.226 -6.160 10.816 238 HD12 LEU 29 HD12 LEU 29 -15.971 -6.143 10.593 239 HD13 LEU 29 HD13 LEU 29 -15.287 -6.599 12.147 240 HD21 LEU 29 HD21 LEU 29 -14.081 -3.654 10.128 241 HD22 LEU 29 HD22 LEU 29 -15.288 -2.564 10.808 242 HD23 LEU 29 HD23 LEU 29 -15.789 -3.892 9.761 243 H ASP 30 HN ASP 30 -18.968 -5.457 14.476 244 HA ASP 30 HA ASP 30 -19.773 -2.984 15.547 245 HB2 ASP 30 HB2 ASP 30 -21.352 -4.755 14.864 246 HB3 ASP 30 HB1 ASP 30 -20.817 -5.745 16.220 247 H GLN 31 HN GLN 31 -18.347 -5.842 17.067 248 HA GLN 31 HA GLN 31 -18.598 -4.921 19.732 249 HB2 GLN 31 HB2 GLN 31 -17.900 -7.309 18.633 250 HB3 GLN 31 HB1 GLN 31 -16.305 -6.713 19.071 251 HG2 GLN 31 HG2 GLN 31 -16.962 -7.805 21.027 252 HG3 GLN 31 HG1 GLN 31 -17.405 -6.148 21.364 253 HE21 GLN 31 HE21 GLN 31 -19.480 -5.961 22.209 254 HE22 GLN 31 HE22 GLN 31 -20.771 -7.005 21.854 255 H LEU 32 HN LEU 32 -16.135 -4.514 17.263 256 HA LEU 32 HA LEU 32 -14.091 -3.468 18.899 257 HB2 LEU 32 HB2 LEU 32 -14.767 -3.266 15.977 258 HB3 LEU 32 HB1 LEU 32 -13.454 -2.288 16.635 259 HG LEU 32 HG LEU 32 -12.324 -4.263 17.431 260 HD11 LEU 32 HD11 LEU 32 -13.354 -6.537 16.691 261 HD12 LEU 32 HD12 LEU 32 -14.859 -5.625 16.600 262 HD13 LEU 32 HD13 LEU 32 -13.998 -5.745 18.128 263 HD21 LEU 32 HD21 LEU 32 -13.300 -4.650 14.594 264 HD22 LEU 32 HD22 LEU 32 -11.848 -5.383 15.279 265 HD23 LEU 32 HD23 LEU 32 -11.945 -3.633 15.082 266 H ASP 33 HN ASP 33 -16.719 -1.867 17.156 267 HA ASP 33 HA ASP 33 -15.963 0.776 17.823 268 HB2 ASP 33 HB2 ASP 33 -18.615 -0.447 17.056 269 HB3 ASP 33 HB1 ASP 33 -18.398 1.281 17.326 270 H LEU 34 HN LEU 34 -17.791 -1.683 19.507 271 HA LEU 34 HA LEU 34 -18.891 0.045 21.493 272 HB2 LEU 34 HB2 LEU 34 -18.515 -2.933 21.322 273 HB3 LEU 34 HB1 LEU 34 -19.242 -2.163 22.730 274 HG LEU 34 HG LEU 34 -20.230 -1.751 19.890 275 HD11 LEU 34 HD11 LEU 34 -21.012 -3.773 21.996 276 HD12 LEU 34 HD12 LEU 34 -20.650 -4.048 20.294 277 HD13 LEU 34 HD13 LEU 34 -22.151 -3.255 20.754 278 HD21 LEU 34 HD21 LEU 34 -21.150 0.012 21.081 279 HD22 LEU 34 HD22 LEU 34 -21.086 -0.833 22.624 280 HD23 LEU 34 HD23 LEU 34 -22.350 -1.212 21.462 281 H VAL 35 HN VAL 35 -15.823 -1.422 21.039 282 HA VAL 35 HA VAL 35 -14.825 -1.813 23.568 283 HB VAL 35 HB VAL 35 -13.470 -0.547 21.176 284 HG11 VAL 35 HG11 VAL 35 -11.371 -1.393 22.402 285 HG12 VAL 35 HG12 VAL 35 -12.390 -1.513 23.839 286 HG13 VAL 35 HG13 VAL 35 -12.132 0.056 23.067 287 HG21 VAL 35 HG21 VAL 35 -12.997 -3.323 22.182 288 HG22 VAL 35 HG22 VAL 35 -12.861 -2.694 20.564 289 HG23 VAL 35 HG23 VAL 35 -14.443 -3.012 21.242 290 H HIS 36 HN HIS 36 -15.774 1.174 22.110 291 HA HIS 36 HA HIS 36 -14.395 2.803 24.102 292 HB2 HIS 36 HB2 HIS 36 -14.612 3.601 21.773 293 HB3 HIS 36 HB1 HIS 36 -16.366 3.600 21.947 294 HD2 HIS 36 HD2 HIS 36 -17.318 6.027 22.844 295 HE1 HIS 36 HE1 HIS 36 -13.782 7.428 24.677 296 HE2 HIS 36 HE2 HIS 36 -16.187 8.012 24.110 297 H GLN 37 HN GLN 37 -17.634 1.621 23.377 298 HA GLN 37 HA GLN 37 -18.880 3.219 25.449 299 HB2 GLN 37 HB2 GLN 37 -19.899 0.971 23.699 300 HB3 GLN 37 HB1 GLN 37 -20.895 1.829 24.874 301 HG2 GLN 37 HG2 GLN 37 -20.470 3.951 23.733 302 HG3 GLN 37 HG1 GLN 37 -19.395 3.146 22.592 303 HE21 GLN 37 HE21 GLN 37 -21.197 4.238 21.109 304 HE22 GLN 37 HE22 GLN 37 -22.516 3.238 20.726 305 H ALA 38 HN ALA 38 -17.703 -0.083 25.062 306 HA ALA 38 HA ALA 38 -18.851 -1.075 27.482 307 HB1 ALA 38 HB1 ALA 38 -18.174 -2.527 25.576 308 HB2 ALA 38 HB2 ALA 38 -17.444 -3.021 27.103 309 HB3 ALA 38 HB3 ALA 38 -16.488 -2.136 25.915 310 H LYS 39 HN LYS 39 -17.799 -1.534 29.441 311 HA LYS 39 HA LYS 39 -15.099 -0.640 29.925 312 HB2 LYS 39 HB2 LYS 39 -16.128 0.907 31.863 313 HB3 LYS 39 HB1 LYS 39 -15.810 1.535 30.247 314 HG2 LYS 39 HG2 LYS 39 -18.076 2.136 31.021 315 HG3 LYS 39 HG1 LYS 39 -18.145 1.102 29.601 316 HD2 LYS 39 HD2 LYS 39 -18.836 -0.776 30.824 317 HD3 LYS 39 HD1 LYS 39 -18.231 -0.129 32.354 318 HE2 LYS 39 HE2 LYS 39 -19.994 1.562 32.356 319 HE3 LYS 39 HE1 LYS 39 -20.568 0.998 30.786 320 HZ1 LYS 39 HZ1 LYS 39 -21.793 0.127 32.775 321 HZ2 LYS 39 HZ2 LYS 39 -20.396 -0.761 33.164 322 HZ3 LYS 39 HZ3 LYS 39 -21.217 -1.054 31.704 323 H GLY 40 HN GLY 40 -14.363 -1.167 32.067 324 HA2 GLY 40 HA2 GLY 40 -14.202 -2.551 33.895 325 HA3 GLY 40 HA1 GLY 40 -15.937 -2.316 34.084 326 H ARG 41 HN ARG 41 -16.858 -4.252 34.310 327 HA ARG 41 HA ARG 41 -15.803 -6.693 33.404 328 HB2 ARG 41 HB2 ARG 41 -17.491 -6.483 35.213 329 HB3 ARG 41 HB1 ARG 41 -18.699 -6.038 34.007 330 HG2 ARG 41 HG2 ARG 41 -18.291 -8.218 32.849 331 HG3 ARG 41 HG1 ARG 41 -17.174 -8.657 34.141 332 HD2 ARG 41 HD2 ARG 41 -20.087 -7.937 34.551 333 HD3 ARG 41 HD1 ARG 41 -19.470 -9.586 34.463 334 HE ARG 41 HE ARG 41 -19.186 -7.749 36.693 335 HH11 ARG 41 HH21 ARG 41 -18.010 -10.562 35.055 336 HH12 ARG 41 HH22 ARG 41 -17.258 -11.236 36.462 337 HH21 ARG 41 HH11 ARG 41 -18.203 -8.628 38.542 338 HH22 ARG 41 HH12 ARG 41 -17.367 -10.141 38.437 339 H ASP 42 HN ASP 42 -18.191 -4.502 31.972 340 HA ASP 42 HA ASP 42 -19.019 -6.134 29.847 341 HB2 ASP 42 HB2 ASP 42 -20.045 -3.947 30.580 342 HB3 ASP 42 HB1 ASP 42 -18.726 -3.129 29.743 343 H GLN 43 HN GLN 43 -16.220 -4.020 30.198 344 HA GLN 43 HA GLN 43 -15.403 -4.153 27.476 345 HB2 GLN 43 HB2 GLN 43 -14.510 -2.883 29.870 346 HB3 GLN 43 HB1 GLN 43 -13.136 -3.801 29.267 347 HG2 GLN 43 HG2 GLN 43 -13.325 -2.738 27.087 348 HG3 GLN 43 HG1 GLN 43 -14.779 -1.896 27.586 349 HE21 GLN 43 HE21 GLN 43 -12.985 -0.135 26.784 350 HE22 GLN 43 HE22 GLN 43 -12.128 0.575 28.066 351 H ILE 44 HN ILE 44 -14.296 -5.888 30.362 352 HA ILE 44 HA ILE 44 -12.430 -7.537 29.058 353 HB ILE 44 HB ILE 44 -14.001 -7.980 31.608 354 HG12 ILE 44 HG12 ILE 44 -11.093 -7.225 31.211 355 HG13 ILE 44 HG11 ILE 44 -12.376 -6.026 31.427 356 HG21 ILE 44 HG21 ILE 44 -11.769 -9.553 30.309 357 HG22 ILE 44 HG22 ILE 44 -13.306 -10.150 30.934 358 HG23 ILE 44 HG23 ILE 44 -12.053 -9.611 32.050 359 HD11 ILE 44 HD11 ILE 44 -12.964 -6.997 33.593 360 HD12 ILE 44 HD12 ILE 44 -11.246 -6.599 33.574 361 HD13 ILE 44 HD13 ILE 44 -11.765 -8.272 33.374 362 H ALA 45 HN ALA 45 -15.862 -8.022 29.818 363 HA ALA 45 HA ALA 45 -16.172 -10.665 29.062 364 HB1 ALA 45 HB1 ALA 45 -18.497 -10.180 28.741 365 HB2 ALA 45 HB2 ALA 45 -18.160 -8.479 28.423 366 HB3 ALA 45 HB3 ALA 45 -17.932 -9.133 30.043 367 H ALA 46 HN ALA 46 -16.038 -7.783 27.020 368 HA ALA 46 HA ALA 46 -16.734 -9.025 24.569 369 HB1 ALA 46 HB1 ALA 46 -15.879 -6.427 25.464 370 HB2 ALA 46 HB2 ALA 46 -16.671 -6.875 23.956 371 HB3 ALA 46 HB3 ALA 46 -14.910 -6.885 24.062 372 H SER 47 HN SER 47 -13.698 -8.693 26.306 373 HA SER 47 HA SER 47 -11.992 -9.464 24.227 374 HB2 SER 47 HB2 SER 47 -11.232 -8.466 26.385 375 HB3 SER 47 HB1 SER 47 -11.627 -9.976 27.188 376 HG SER 47 HG SER 47 -9.709 -10.576 26.611 377 H PHE 48 HN PHE 48 -13.272 -11.432 26.906 378 HA PHE 48 HA PHE 48 -12.293 -13.895 25.924 379 HB2 PHE 48 HB2 PHE 48 -14.483 -13.176 27.871 380 HB3 PHE 48 HB1 PHE 48 -14.112 -14.853 27.468 381 HD1 PHE 48 HD2 PHE 48 -11.913 -15.829 28.020 382 HD2 PHE 48 HD1 PHE 48 -12.950 -11.825 29.180 383 HE1 PHE 48 HE2 PHE 48 -10.012 -15.798 29.611 384 HE2 PHE 48 HE1 PHE 48 -11.049 -11.794 30.770 385 HZ PHE 48 HZ PHE 48 -9.579 -13.780 30.987 386 H GLU 49 HN GLU 49 -15.165 -12.048 25.224 387 HA GLU 49 HA GLU 49 -16.744 -14.096 24.104 388 HB2 GLU 49 HB2 GLU 49 -17.563 -11.811 24.688 389 HB3 GLU 49 HB1 GLU 49 -16.672 -11.176 23.305 390 HG2 GLU 49 HG2 GLU 49 -17.967 -12.613 21.788 391 HG3 GLU 49 HG1 GLU 49 -18.838 -13.292 23.162 392 H LEU 50 HN LEU 50 -14.856 -11.607 22.373 393 HA LEU 50 HA LEU 50 -15.019 -12.937 19.880 394 HB2 LEU 50 HB2 LEU 50 -13.478 -10.626 20.971 395 HB3 LEU 50 HB1 LEU 50 -12.916 -11.336 19.459 396 HG LEU 50 HG LEU 50 -15.158 -11.048 18.479 397 HD11 LEU 50 HD11 LEU 50 -16.517 -11.254 20.491 398 HD12 LEU 50 HD12 LEU 50 -16.831 -9.695 19.742 399 HD13 LEU 50 HD13 LEU 50 -15.791 -9.795 21.165 400 HD21 LEU 50 HD21 LEU 50 -13.501 -9.235 18.261 401 HD22 LEU 50 HD22 LEU 50 -14.075 -8.526 19.771 402 HD23 LEU 50 HD23 LEU 50 -15.135 -8.584 18.364 403 H ASN 51 HN ASN 51 -12.764 -13.104 22.530 404 HA ASN 51 HA ASN 51 -10.489 -14.123 21.474 405 HB2 ASN 51 HB2 ASN 51 -10.859 -13.863 23.891 406 HB3 ASN 51 HB1 ASN 51 -11.949 -15.246 23.879 407 HD21 ASN 51 HD21 ASN 51 -9.500 -15.155 25.441 408 HD22 ASN 51 HD22 ASN 51 -8.462 -16.347 24.824 409 H LYS 52 HN LYS 52 -13.219 -16.202 22.429 410 HA LYS 52 HA LYS 52 -12.195 -18.504 21.109 411 HB2 LYS 52 HB2 LYS 52 -14.918 -17.779 22.191 412 HB3 LYS 52 HB1 LYS 52 -14.621 -19.322 21.394 413 HG2 LYS 52 HG2 LYS 52 -14.132 -19.963 23.569 414 HG3 LYS 52 HG1 LYS 52 -12.537 -19.390 23.114 415 HD2 LYS 52 HD2 LYS 52 -12.833 -18.208 25.088 416 HD3 LYS 52 HD1 LYS 52 -13.487 -17.048 23.942 417 HE2 LYS 52 HE2 LYS 52 -15.106 -17.213 25.690 418 HE3 LYS 52 HE1 LYS 52 -15.765 -18.130 24.337 419 HZ1 LYS 52 HZ1 LYS 52 -15.243 -20.137 25.328 420 HZ2 LYS 52 HZ2 LYS 52 -15.773 -19.199 26.642 421 HZ3 LYS 52 HZ3 LYS 52 -14.112 -19.450 26.389 422 H LYS 53 HN LYS 53 -14.390 -15.949 20.151 423 HA LYS 53 HA LYS 53 -15.406 -17.148 17.831 424 HB2 LYS 53 HB2 LYS 53 -16.054 -14.927 19.034 425 HB3 LYS 53 HB1 LYS 53 -14.857 -14.190 17.976 426 HG2 LYS 53 HG2 LYS 53 -16.005 -15.070 16.002 427 HG3 LYS 53 HG1 LYS 53 -17.184 -15.882 17.025 428 HD2 LYS 53 HD2 LYS 53 -16.735 -12.897 17.161 429 HD3 LYS 53 HD1 LYS 53 -17.892 -13.617 16.044 430 HE2 LYS 53 HE2 LYS 53 -18.893 -14.805 18.094 431 HE3 LYS 53 HE1 LYS 53 -17.934 -13.691 19.064 432 HZ1 LYS 53 HZ1 LYS 53 -20.376 -13.157 18.197 433 HZ2 LYS 53 HZ2 LYS 53 -19.465 -12.491 16.927 434 HZ3 LYS 53 HZ3 LYS 53 -19.216 -11.965 18.523 435 H ILE 54 HN ILE 54 -12.541 -15.102 18.311 436 HA ILE 54 HA ILE 54 -11.773 -14.995 15.592 437 HB ILE 54 HB ILE 54 -10.172 -14.701 18.146 438 HG12 ILE 54 HG12 ILE 54 -11.102 -12.615 16.154 439 HG13 ILE 54 HG11 ILE 54 -12.015 -13.038 17.603 440 HG21 ILE 54 HG21 ILE 54 -9.407 -14.360 15.243 441 HG22 ILE 54 HG22 ILE 54 -8.562 -15.267 16.493 442 HG23 ILE 54 HG23 ILE 54 -8.550 -13.501 16.525 443 HD11 ILE 54 HD11 ILE 54 -10.077 -12.435 19.007 444 HD12 ILE 54 HD12 ILE 54 -10.572 -11.068 18.006 445 HD13 ILE 54 HD13 ILE 54 -9.156 -12.021 17.561 446 H ASN 55 HN ASN 55 -10.742 -17.105 18.271 447 HA ASN 55 HA ASN 55 -8.930 -18.649 16.736 448 HB2 ASN 55 HB2 ASN 55 -9.013 -18.535 19.248 449 HB3 ASN 55 HB1 ASN 55 -10.453 -19.549 19.187 450 HD21 ASN 55 HD21 ASN 55 -9.427 -21.399 20.191 451 HD22 ASN 55 HD22 ASN 55 -8.216 -22.289 19.402 452 H ASP 56 HN ASP 56 -12.336 -19.119 17.612 453 HA ASP 56 HA ASP 56 -12.633 -21.645 16.367 454 HB2 ASP 56 HB2 ASP 56 -14.182 -20.605 18.083 455 HB3 ASP 56 HB1 ASP 56 -14.820 -19.605 16.778 456 H TYR 57 HN TYR 57 -13.165 -18.332 15.248 457 HA TYR 57 HA TYR 57 -14.372 -18.914 12.785 458 HB2 TYR 57 HB2 TYR 57 -14.310 -16.648 13.671 459 HB3 TYR 57 HB1 TYR 57 -12.550 -16.619 13.554 460 HD1 TYR 57 HD1 TYR 57 -15.678 -16.911 11.545 461 HD2 TYR 57 HD2 TYR 57 -11.463 -16.079 11.511 462 HE1 TYR 57 HE1 TYR 57 -15.846 -16.152 9.189 463 HE2 TYR 57 HE2 TYR 57 -11.633 -15.319 9.158 464 HH TYR 57 HH TYR 57 -14.220 -14.381 7.711 465 H ILE 58 HN ILE 58 -10.938 -18.473 13.602 466 HA ILE 58 HA ILE 58 -9.935 -18.897 10.995 467 HB ILE 58 HB ILE 58 -8.655 -19.284 13.709 468 HG12 ILE 58 HG12 ILE 58 -8.241 -17.106 11.642 469 HG13 ILE 58 HG11 ILE 58 -9.424 -16.969 12.951 470 HG21 ILE 58 HG21 ILE 58 -7.532 -19.451 10.905 471 HG22 ILE 58 HG22 ILE 58 -7.381 -20.631 12.207 472 HG23 ILE 58 HG23 ILE 58 -6.515 -19.098 12.303 473 HD11 ILE 58 HD11 ILE 58 -7.102 -15.966 13.391 474 HD12 ILE 58 HD12 ILE 58 -6.523 -17.631 13.481 475 HD13 ILE 58 HD13 ILE 58 -7.738 -17.055 14.623 476 H ALA 59 HN ALA 59 -10.536 -21.098 13.708 477 HA ALA 59 HA ALA 59 -9.383 -23.413 12.663 478 HB1 ALA 59 HB1 ALA 59 -10.830 -24.638 14.189 479 HB2 ALA 59 HB2 ALA 59 -11.892 -23.239 14.349 480 HB3 ALA 59 HB3 ALA 59 -10.248 -23.175 14.984 481 H GLU 60 HN GLU 60 -12.357 -21.801 11.849 482 HA GLU 60 HA GLU 60 -13.601 -24.001 10.510 483 HB2 GLU 60 HB2 GLU 60 -14.846 -22.010 11.328 484 HB3 GLU 60 HB1 GLU 60 -14.038 -21.033 10.102 485 HG2 GLU 60 HG2 GLU 60 -14.996 -22.422 8.324 486 HG3 GLU 60 HG1 GLU 60 -15.763 -23.457 9.527 487 H HIS 61 HN HIS 61 -11.548 -21.301 9.478 488 HA HIS 61 HA HIS 61 -10.982 -22.754 6.969 489 HB2 HIS 61 HB2 HIS 61 -11.872 -19.882 7.200 490 HB3 HIS 61 HB1 HIS 61 -11.059 -20.535 5.776 491 HD2 HIS 61 HD2 HIS 61 -12.570 -23.180 5.042 492 HE1 HIS 61 HE1 HIS 61 -16.222 -21.224 5.852 493 HE2 HIS 61 HE2 HIS 61 -15.161 -23.237 4.724 494 HA PRO 62 HA PRO 62 -7.236 -20.994 9.130 495 HB2 PRO 62 HB2 PRO 62 -5.890 -23.362 9.456 496 HB3 PRO 62 HB1 PRO 62 -7.060 -22.739 10.636 497 HG2 PRO 62 HG2 PRO 62 -7.405 -24.854 8.563 498 HG3 PRO 62 HG1 PRO 62 -8.056 -24.771 10.210 499 HD2 PRO 62 HD2 PRO 62 -9.518 -24.175 7.947 500 HD3 PRO 62 HD1 PRO 62 -9.888 -23.520 9.554 501 H THR 63 HN THR 63 -7.942 -22.785 6.326 502 HA THR 63 HA THR 63 -5.322 -23.016 5.220 503 HB THR 63 HB THR 63 -6.773 -24.421 4.094 504 HG1 THR 63 HG1 THR 63 -6.694 -23.671 2.131 505 HG21 THR 63 HG21 THR 63 -8.808 -22.231 4.522 506 HG22 THR 63 HG22 THR 63 -8.820 -23.880 5.150 507 HG23 THR 63 HG23 THR 63 -9.122 -23.587 3.437 508 H SER 64 HN SER 64 -7.653 -20.446 5.423 509 HA SER 64 HA SER 64 -6.524 -18.855 3.302 510 HB2 SER 64 HB2 SER 64 -8.840 -18.508 3.849 511 HB3 SER 64 HB1 SER 64 -8.451 -18.218 5.540 512 HG SER 64 HG SER 64 -7.705 -16.270 5.050 513 H GLY 65 HN GLY 65 -4.831 -17.521 3.408 514 HA2 GLY 65 HA2 GLY 65 -3.185 -17.390 5.729 515 HA3 GLY 65 HA1 GLY 65 -2.961 -16.465 4.247 516 H ARG 66 HN ARG 66 -5.579 -15.240 4.299 517 HA ARG 66 HA ARG 66 -5.000 -12.940 5.831 518 HB2 ARG 66 HB2 ARG 66 -7.631 -13.849 4.633 519 HB3 ARG 66 HB1 ARG 66 -7.285 -12.223 5.214 520 HG2 ARG 66 HG2 ARG 66 -5.516 -13.520 3.139 521 HG3 ARG 66 HG1 ARG 66 -7.008 -12.710 2.664 522 HD2 ARG 66 HD2 ARG 66 -6.216 -10.659 3.859 523 HD3 ARG 66 HD1 ARG 66 -4.691 -11.467 4.181 524 HE ARG 66 HE ARG 66 -5.608 -10.453 1.611 525 HH11 ARG 66 HH21 ARG 66 -3.390 -12.408 3.411 526 HH12 ARG 66 HH22 ARG 66 -2.171 -12.400 2.183 527 HH21 ARG 66 HH11 ARG 66 -4.014 -10.438 -0.004 528 HH22 ARG 66 HH12 ARG 66 -2.525 -11.285 0.248 529 H ASN 67 HN ASN 67 -7.012 -15.751 6.446 530 HA ASN 67 HA ASN 67 -8.368 -14.798 8.719 531 HB2 ASN 67 HB2 ASN 67 -7.606 -17.553 7.769 532 HB3 ASN 67 HB1 ASN 67 -8.443 -17.321 9.305 533 HD21 ASN 67 HD21 ASN 67 -9.784 -18.726 7.293 534 HD22 ASN 67 HD22 ASN 67 -11.043 -17.773 6.673 535 H GLN 68 HN GLN 68 -5.116 -15.942 8.274 536 HA GLN 68 HA GLN 68 -4.543 -16.523 11.001 537 HB2 GLN 68 HB2 GLN 68 -3.190 -17.296 9.017 538 HB3 GLN 68 HB1 GLN 68 -2.586 -15.647 8.866 539 HG2 GLN 68 HG2 GLN 68 -0.979 -16.914 10.159 540 HG3 GLN 68 HG1 GLN 68 -1.787 -15.795 11.247 541 HE21 GLN 68 HE21 GLN 68 -1.633 -17.065 13.176 542 HE22 GLN 68 HE22 GLN 68 -2.401 -18.570 13.346 543 H ALA 69 HN ALA 69 -4.780 -13.597 9.175 544 HA ALA 69 HA ALA 69 -3.146 -11.968 10.881 545 HB1 ALA 69 HB1 ALA 69 -3.654 -11.364 8.534 546 HB2 ALA 69 HB2 ALA 69 -4.123 -10.091 9.660 547 HB3 ALA 69 HB3 ALA 69 -5.350 -11.153 8.970 548 H LEU 70 HN LEU 70 -6.410 -13.109 10.983 549 HA LEU 70 HA LEU 70 -7.551 -11.122 12.640 550 HB2 LEU 70 HB2 LEU 70 -8.184 -14.016 12.097 551 HB3 LEU 70 HB1 LEU 70 -9.087 -13.126 13.307 552 HG LEU 70 HG LEU 70 -10.119 -13.100 10.995 553 HD11 LEU 70 HD11 LEU 70 -10.149 -11.165 12.908 554 HD12 LEU 70 HD12 LEU 70 -10.998 -11.011 11.380 555 HD13 LEU 70 HD13 LEU 70 -9.427 -10.249 11.587 556 HD21 LEU 70 HD21 LEU 70 -7.813 -12.881 9.881 557 HD22 LEU 70 HD22 LEU 70 -7.873 -11.179 10.329 558 HD23 LEU 70 HD23 LEU 70 -9.085 -11.846 9.240 559 H THR 71 HN THR 71 -5.817 -14.107 13.381 560 HA THR 71 HA THR 71 -6.177 -14.245 16.117 561 HB THR 71 HB THR 71 -3.557 -14.758 14.692 562 HG1 THR 71 HG1 THR 71 -4.391 -16.734 14.199 563 HG21 THR 71 HG21 THR 71 -3.365 -14.870 17.104 564 HG22 THR 71 HG22 THR 71 -3.365 -16.516 16.468 565 HG23 THR 71 HG23 THR 71 -4.822 -15.857 17.211 566 H GLN 72 HN GLN 72 -4.456 -11.882 14.276 567 HA GLN 72 HA GLN 72 -2.642 -10.955 16.217 568 HB2 GLN 72 HB2 GLN 72 -2.578 -10.307 13.818 569 HB3 GLN 72 HB1 GLN 72 -4.041 -9.353 14.060 570 HG2 GLN 72 HG2 GLN 72 -2.110 -7.888 14.208 571 HG3 GLN 72 HG1 GLN 72 -2.842 -8.028 15.801 572 HE21 GLN 72 HE21 GLN 72 -0.837 -10.561 14.297 573 HE22 GLN 72 HE22 GLN 72 0.435 -10.446 15.415 574 H LEU 73 HN LEU 73 -5.989 -10.012 15.501 575 HA LEU 73 HA LEU 73 -6.160 -7.903 17.365 576 HB2 LEU 73 HB2 LEU 73 -8.171 -9.685 16.008 577 HB3 LEU 73 HB1 LEU 73 -8.707 -8.570 17.266 578 HG LEU 73 HG LEU 73 -7.694 -6.690 16.037 579 HD11 LEU 73 HD11 LEU 73 -6.980 -7.199 13.636 580 HD12 LEU 73 HD12 LEU 73 -6.921 -8.894 14.119 581 HD13 LEU 73 HD13 LEU 73 -5.866 -7.716 14.902 582 HD21 LEU 73 HD21 LEU 73 -9.236 -6.754 14.064 583 HD22 LEU 73 HD22 LEU 73 -10.024 -7.209 15.573 584 HD23 LEU 73 HD23 LEU 73 -9.552 -8.452 14.415 585 H LYS 74 HN LYS 74 -6.762 -11.378 17.675 586 HA LYS 74 HA LYS 74 -7.930 -11.431 20.198 587 HB2 LYS 74 HB2 LYS 74 -7.627 -13.394 18.683 588 HB3 LYS 74 HB1 LYS 74 -5.922 -13.414 19.126 589 HG2 LYS 74 HG2 LYS 74 -6.514 -13.747 21.484 590 HG3 LYS 74 HG1 LYS 74 -8.224 -13.653 21.084 591 HD2 LYS 74 HD2 LYS 74 -7.824 -15.976 21.166 592 HD3 LYS 74 HD1 LYS 74 -7.748 -15.614 19.445 593 HE2 LYS 74 HE2 LYS 74 -5.337 -15.607 19.478 594 HE3 LYS 74 HE1 LYS 74 -5.303 -15.686 21.237 595 HZ1 LYS 74 HZ1 LYS 74 -6.798 -17.790 19.945 596 HZ2 LYS 74 HZ2 LYS 74 -5.689 -17.866 21.232 597 HZ3 LYS 74 HZ3 LYS 74 -5.131 -17.807 19.628 598 H GLU 75 HN GLU 75 -4.456 -11.773 19.426 599 HA GLU 75 HA GLU 75 -3.611 -11.672 22.140 600 HB2 GLU 75 HB2 GLU 75 -1.347 -11.300 21.156 601 HB3 GLU 75 HB1 GLU 75 -2.189 -12.689 20.467 602 HG2 GLU 75 HG2 GLU 75 -2.868 -11.369 18.532 603 HG3 GLU 75 HG1 GLU 75 -2.142 -9.922 19.228 604 H GLN 76 HN GLN 76 -4.396 -9.255 19.785 605 HA GLN 76 HA GLN 76 -2.947 -7.097 20.907 606 HB2 GLN 76 HB2 GLN 76 -4.090 -7.244 18.596 607 HB3 GLN 76 HB1 GLN 76 -5.570 -6.800 19.442 608 HG2 GLN 76 HG2 GLN 76 -4.548 -4.774 18.610 609 HG3 GLN 76 HG1 GLN 76 -4.354 -4.798 20.362 610 HE21 GLN 76 HE21 GLN 76 -2.291 -4.101 20.916 611 HE22 GLN 76 HE22 GLN 76 -0.876 -4.452 20.048 612 H VAL 77 HN VAL 77 -6.080 -8.511 21.609 613 HA VAL 77 HA VAL 77 -7.200 -6.462 23.114 614 HB VAL 77 HB VAL 77 -7.491 -9.413 23.725 615 HG11 VAL 77 HG11 VAL 77 -9.154 -6.940 24.174 616 HG12 VAL 77 HG12 VAL 77 -8.684 -8.173 25.335 617 HG13 VAL 77 HG13 VAL 77 -9.904 -8.526 24.116 618 HG21 VAL 77 HG21 VAL 77 -9.537 -8.958 22.035 619 HG22 VAL 77 HG22 VAL 77 -7.966 -9.482 21.459 620 HG23 VAL 77 HG23 VAL 77 -8.402 -7.778 21.377 621 H THR 78 HN THR 78 -5.087 -9.129 24.142 622 HA THR 78 HA THR 78 -5.074 -8.664 26.884 623 HB THR 78 HB THR 78 -2.745 -9.653 26.803 624 HG1 THR 78 HG1 THR 78 -2.594 -8.724 24.524 625 HG21 THR 78 HG21 THR 78 -4.889 -11.077 25.206 626 HG22 THR 78 HG22 THR 78 -4.806 -11.020 26.968 627 HG23 THR 78 HG23 THR 78 -3.542 -11.840 26.049 628 H SER 79 HN SER 79 -3.200 -7.099 24.322 629 HA SER 79 HA SER 79 -1.533 -5.547 26.014 630 HB2 SER 79 HB2 SER 79 -2.460 -4.862 23.220 631 HB3 SER 79 HB1 SER 79 -1.022 -4.257 24.038 632 HG SER 79 HG SER 79 -0.617 -6.698 24.234 633 H ALA 80 HN ALA 80 -4.732 -5.013 24.605 634 HA ALA 80 HA ALA 80 -5.039 -2.297 25.241 635 HB1 ALA 80 HB1 ALA 80 -7.423 -2.678 25.008 636 HB2 ALA 80 HB2 ALA 80 -7.205 -4.411 25.232 637 HB3 ALA 80 HB3 ALA 80 -6.583 -3.628 23.784 638 H LEU 81 HN LEU 81 -6.006 -5.183 27.096 639 HA LEU 81 HA LEU 81 -6.887 -3.703 29.370 640 HB2 LEU 81 HB2 LEU 81 -6.052 -6.600 29.097 641 HB3 LEU 81 HB1 LEU 81 -6.865 -5.916 30.500 642 HG LEU 81 HG LEU 81 -7.992 -5.758 27.697 643 HD11 LEU 81 HD11 LEU 81 -7.895 -8.102 28.200 644 HD12 LEU 81 HD12 LEU 81 -9.549 -7.597 28.545 645 HD13 LEU 81 HD13 LEU 81 -8.406 -7.832 29.867 646 HD21 LEU 81 HD21 LEU 81 -9.069 -4.136 29.043 647 HD22 LEU 81 HD22 LEU 81 -9.021 -5.149 30.480 648 HD23 LEU 81 HD23 LEU 81 -10.139 -5.521 29.176 649 H GLY 82 HN GLY 82 -3.819 -5.053 28.371 650 HA2 GLY 82 HA2 GLY 82 -1.728 -5.032 29.349 651 HA3 GLY 82 HA1 GLY 82 -2.197 -3.423 29.887 652 H LEU 83 HN LEU 83 -3.768 -6.435 30.843 653 HA LEU 83 HA LEU 83 -3.556 -5.768 33.624 654 HB2 LEU 83 HB2 LEU 83 -4.733 -7.834 34.021 655 HB3 LEU 83 HB1 LEU 83 -5.467 -7.002 32.653 656 HG LEU 83 HG LEU 83 -3.528 -8.536 31.383 657 HD11 LEU 83 HD11 LEU 83 -4.762 -10.366 33.442 658 HD12 LEU 83 HD12 LEU 83 -3.197 -9.611 33.716 659 HD13 LEU 83 HD13 LEU 83 -3.426 -10.694 32.341 660 HD21 LEU 83 HD21 LEU 83 -5.864 -8.288 30.689 661 HD22 LEU 83 HD22 LEU 83 -6.386 -9.313 32.022 662 HD23 LEU 83 HD23 LEU 83 -5.408 -9.989 30.718 663 H GLU 84 HN GLU 84 -1.777 -7.807 31.409 664 HA GLU 84 HA GLU 84 0.101 -8.492 33.607 665 HB2 GLU 84 HB2 GLU 84 -1.193 -10.478 32.940 666 HB3 GLU 84 HB1 GLU 84 -0.677 -10.253 31.270 667 HG2 GLU 84 HG2 GLU 84 1.660 -10.543 31.928 668 HG3 GLU 84 HG1 GLU 84 1.190 -10.664 33.622 669 H HIS 85 HN HIS 85 2.169 -8.009 33.247 670 HA HIS 85 HA HIS 85 2.939 -6.429 31.026 671 HB2 HIS 85 HB2 HIS 85 4.039 -6.344 33.256 672 HB3 HIS 85 HB1 HIS 85 4.721 -7.943 32.952 673 HD2 HIS 85 HD2 HIS 85 4.985 -4.322 31.323 674 HE1 HIS 85 HE1 HIS 85 8.427 -6.547 30.311 675 HE2 HIS 85 HE2 HIS 85 7.313 -4.271 30.143 676 H HIS 86 HN HIS 86 3.503 -9.841 31.842 677 HA HIS 86 HA HIS 86 4.901 -10.313 29.326 678 HB2 HIS 86 HB2 HIS 86 4.103 -12.171 31.578 679 HB3 HIS 86 HB1 HIS 86 5.036 -12.653 30.161 680 HD2 HIS 86 HD2 HIS 86 7.722 -11.710 30.123 681 HE1 HIS 86 HE1 HIS 86 7.625 -9.964 33.965 682 HE2 HIS 86 HE2 HIS 86 9.134 -10.622 32.032 683 H HIS 87 HN HIS 87 4.200 -12.191 27.969 684 HA HIS 87 HA HIS 87 1.452 -11.817 27.184 685 HB2 HIS 87 HB2 HIS 87 1.982 -13.354 25.367 686 HB3 HIS 87 HB1 HIS 87 3.274 -12.164 25.535 687 HD2 HIS 87 HD2 HIS 87 2.777 -16.006 25.806 688 HE1 HIS 87 HE1 HIS 87 6.743 -15.173 26.988 689 HE2 HIS 87 HE2 HIS 87 5.107 -17.024 26.402 690 H HIS 88 HN HIS 88 -0.128 -13.499 27.011 691 HA HIS 88 HA HIS 88 -0.212 -15.194 29.339 692 HB2 HIS 88 HB2 HIS 88 -2.082 -14.817 26.995 693 HB3 HIS 88 HB1 HIS 88 -2.406 -15.935 28.320 694 HD2 HIS 88 HD2 HIS 88 -3.169 -14.709 30.750 695 HE1 HIS 88 HE1 HIS 88 -3.036 -10.733 29.335 696 HE2 HIS 88 HE2 HIS 88 -3.727 -12.214 31.279 697 H HIS 89 HN HIS 89 -0.016 -17.391 29.457 698 HA HIS 89 HA HIS 89 1.491 -18.692 27.384 699 HB2 HIS 89 HB2 HIS 89 1.511 -20.607 28.877 700 HB3 HIS 89 HB1 HIS 89 1.827 -19.145 29.811 701 HD2 HIS 89 HD2 HIS 89 0.057 -18.765 31.910 702 HE1 HIS 89 HE1 HIS 89 -2.883 -21.543 30.701 703 HE2 HIS 89 HE2 HIS 89 -2.188 -19.937 32.543 704 H HIS 90 HN HIS 90 0.870 -20.497 26.150 705 HA HIS 90 HA HIS 90 -0.551 -21.637 24.748 706 HB2 HIS 90 HB2 HIS 90 -1.074 -22.832 26.821 707 HB3 HIS 90 HB1 HIS 90 -2.282 -21.615 27.232 708 HD2 HIS 90 HD2 HIS 90 -4.786 -22.111 26.140 709 HE1 HIS 90 HE1 HIS 90 -3.624 -25.074 23.366 710 HE2 HIS 90 HE2 HIS 90 -5.607 -23.844 24.369 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -2.147 5.578 25.592 2 H2 MET 1 HT2 MET 1 -1.336 4.409 24.662 3 H3 MET 1 HT3 MET 1 -0.500 5.274 25.861 4 HA MET 1 HA MET 1 -0.863 3.408 27.052 5 HB2 MET 1 HB2 MET 1 -2.118 5.246 28.154 6 HB3 MET 1 HB1 MET 1 -3.564 4.775 27.259 7 HG2 MET 1 HG2 MET 1 -3.531 2.564 28.313 8 HG3 MET 1 HG1 MET 1 -2.040 2.971 29.161 9 HE1 MET 1 HE1 MET 1 -5.889 2.834 29.596 10 HE2 MET 1 HE2 MET 1 -5.515 3.967 28.300 11 HE3 MET 1 HE3 MET 1 -6.265 4.552 29.783 12 H GLY 2 HN GLY 2 -0.795 1.841 25.321 13 HA2 GLY 2 HA2 GLY 2 -1.618 -0.117 24.407 14 HA3 GLY 2 HA1 GLY 2 -3.143 0.194 25.233 15 H GLN 3 HN GLN 3 -3.196 -0.831 22.700 16 HA GLN 3 HA GLN 3 -4.604 1.272 21.266 17 HB2 GLN 3 HB2 GLN 3 -3.337 0.910 19.171 18 HB3 GLN 3 HB1 GLN 3 -2.327 1.598 20.443 19 HG2 GLN 3 HG2 GLN 3 -1.508 -0.687 20.988 20 HG3 GLN 3 HG1 GLN 3 -2.459 -1.323 19.651 21 HE21 GLN 3 HE21 GLN 3 0.532 -1.300 19.961 22 HE22 GLN 3 HE22 GLN 3 1.115 -0.469 18.601 23 H ILE 4 HN ILE 4 -6.073 0.476 19.758 24 HA ILE 4 HA ILE 4 -6.264 -2.448 19.463 25 HB ILE 4 HB ILE 4 -8.463 -0.645 20.326 26 HG12 ILE 4 HG12 ILE 4 -7.355 -3.116 21.650 27 HG13 ILE 4 HG11 ILE 4 -6.834 -1.488 22.068 28 HG21 ILE 4 HG21 ILE 4 -8.451 -3.488 19.345 29 HG22 ILE 4 HG22 ILE 4 -9.449 -2.150 18.776 30 HG23 ILE 4 HG23 ILE 4 -9.754 -2.865 20.358 31 HD11 ILE 4 HD11 ILE 4 -9.684 -2.492 22.222 32 HD12 ILE 4 HD12 ILE 4 -9.132 -0.878 22.667 33 HD13 ILE 4 HD13 ILE 4 -8.602 -2.279 23.598 34 H PHE 5 HN PHE 5 -7.636 -3.127 17.685 35 HA PHE 5 HA PHE 5 -7.462 -1.206 15.450 36 HB2 PHE 5 HB2 PHE 5 -7.806 -4.197 15.617 37 HB3 PHE 5 HB1 PHE 5 -8.067 -3.318 14.118 38 HD1 PHE 5 HD2 PHE 5 -5.561 -3.538 16.909 39 HD2 PHE 5 HD1 PHE 5 -6.231 -3.038 12.694 40 HE1 PHE 5 HE2 PHE 5 -3.109 -3.485 16.518 41 HE2 PHE 5 HE1 PHE 5 -3.787 -2.986 12.310 42 HZ PHE 5 HZ PHE 5 -2.226 -3.218 14.221 43 H THR 6 HN THR 6 -9.191 -0.040 14.992 44 HA THR 6 HA THR 6 -11.824 -0.779 15.941 45 HB THR 6 HB THR 6 -12.473 1.340 14.665 46 HG1 THR 6 HG1 THR 6 -9.905 2.203 14.646 47 HG21 THR 6 HG21 THR 6 -10.383 1.356 16.852 48 HG22 THR 6 HG22 THR 6 -12.135 1.451 17.034 49 HG23 THR 6 HG23 THR 6 -11.246 2.804 16.333 50 H VAL 7 HN VAL 7 -13.700 -0.756 14.442 51 HA VAL 7 HA VAL 7 -13.442 -2.731 12.455 52 HB VAL 7 HB VAL 7 -15.764 -2.143 11.853 53 HG11 VAL 7 HG11 VAL 7 -15.332 -2.027 14.852 54 HG12 VAL 7 HG12 VAL 7 -15.206 -3.506 13.899 55 HG13 VAL 7 HG13 VAL 7 -16.746 -2.653 14.005 56 HG21 VAL 7 HG21 VAL 7 -15.211 0.212 13.685 57 HG22 VAL 7 HG22 VAL 7 -16.833 -0.280 13.193 58 HG23 VAL 7 HG23 VAL 7 -15.672 0.269 11.984 59 H GLN 8 HN GLN 8 -13.202 0.748 12.333 60 HA GLN 8 HA GLN 8 -13.616 1.204 9.608 61 HB2 GLN 8 HB2 GLN 8 -13.347 2.972 11.354 62 HB3 GLN 8 HB1 GLN 8 -11.618 2.625 11.375 63 HG2 GLN 8 HG2 GLN 8 -11.432 3.205 9.013 64 HG3 GLN 8 HG1 GLN 8 -13.174 3.450 8.908 65 HE21 GLN 8 HE21 GLN 8 -13.369 5.700 8.632 66 HE22 GLN 8 HE22 GLN 8 -12.673 6.850 9.669 67 H GLU 9 HN GLU 9 -10.728 0.146 11.342 68 HA GLU 9 HA GLU 9 -8.960 0.288 9.116 69 HB2 GLU 9 HB2 GLU 9 -8.845 -1.297 11.691 70 HB3 GLU 9 HB1 GLU 9 -7.532 -1.237 10.513 71 HG2 GLU 9 HG2 GLU 9 -7.339 1.170 10.767 72 HG3 GLU 9 HG1 GLU 9 -8.752 1.208 11.820 73 H LEU 10 HN LEU 10 -10.968 -2.292 10.479 74 HA LEU 10 HA LEU 10 -10.026 -4.355 8.787 75 HB2 LEU 10 HB2 LEU 10 -12.505 -3.940 10.447 76 HB3 LEU 10 HB1 LEU 10 -12.401 -5.333 9.379 77 HG LEU 10 HG LEU 10 -11.602 -5.780 11.732 78 HD11 LEU 10 HD11 LEU 10 -10.646 -6.794 9.388 79 HD12 LEU 10 HD12 LEU 10 -10.056 -7.295 10.961 80 HD13 LEU 10 HD13 LEU 10 -9.160 -6.102 10.034 81 HD21 LEU 10 HD21 LEU 10 -10.534 -3.438 11.876 82 HD22 LEU 10 HD22 LEU 10 -9.195 -4.116 10.961 83 HD23 LEU 10 HD23 LEU 10 -9.601 -4.772 12.545 84 H LYS 11 HN LYS 11 -12.702 -2.080 8.482 85 HA LYS 11 HA LYS 11 -13.834 -3.166 6.148 86 HB2 LYS 11 HB2 LYS 11 -13.788 -0.363 7.251 87 HB3 LYS 11 HB1 LYS 11 -14.699 -0.801 5.809 88 HG2 LYS 11 HG2 LYS 11 -15.824 -2.610 7.197 89 HG3 LYS 11 HG1 LYS 11 -15.053 -1.900 8.609 90 HD2 LYS 11 HD2 LYS 11 -16.771 -0.283 6.714 91 HD3 LYS 11 HD1 LYS 11 -17.435 -1.111 8.121 92 HE2 LYS 11 HE2 LYS 11 -15.693 0.125 9.514 93 HE3 LYS 11 HE1 LYS 11 -15.373 1.098 8.080 94 HZ1 LYS 11 HZ1 LYS 11 -17.162 2.298 8.479 95 HZ2 LYS 11 HZ2 LYS 11 -17.374 1.463 9.943 96 HZ3 LYS 11 HZ3 LYS 11 -18.149 0.920 8.532 97 H GLU 12 HN GLU 12 -11.314 -0.710 6.583 98 HA GLU 12 HA GLU 12 -10.975 -0.122 3.831 99 HB2 GLU 12 HB2 GLU 12 -9.116 0.166 6.197 100 HB3 GLU 12 HB1 GLU 12 -8.739 0.766 4.582 101 HG2 GLU 12 HG2 GLU 12 -10.734 2.181 4.609 102 HG3 GLU 12 HG1 GLU 12 -11.194 1.540 6.185 103 H ARG 13 HN ARG 13 -9.389 -2.425 6.009 104 HA ARG 13 HA ARG 13 -7.519 -3.373 4.077 105 HB2 ARG 13 HB2 ARG 13 -8.553 -4.648 6.622 106 HB3 ARG 13 HB1 ARG 13 -7.183 -5.239 5.686 107 HG2 ARG 13 HG2 ARG 13 -7.250 -2.370 6.625 108 HG3 ARG 13 HG1 ARG 13 -6.731 -3.647 7.723 109 HD2 ARG 13 HD2 ARG 13 -5.046 -4.367 6.030 110 HD3 ARG 13 HD1 ARG 13 -5.515 -3.018 5.013 111 HE ARG 13 HE ARG 13 -3.987 -2.877 7.488 112 HH11 ARG 13 HH21 ARG 13 -5.800 -1.263 5.021 113 HH12 ARG 13 HH22 ARG 13 -5.096 0.288 5.325 114 HH21 ARG 13 HH11 ARG 13 -3.060 -0.845 7.893 115 HH22 ARG 13 HH12 ARG 13 -3.545 0.526 6.952 116 H ALA 14 HN ALA 14 -10.762 -4.309 5.017 117 HA ALA 14 HA ALA 14 -10.818 -6.784 3.616 118 HB1 ALA 14 HB1 ALA 14 -13.309 -6.520 3.807 119 HB2 ALA 14 HB2 ALA 14 -13.033 -4.924 4.505 120 HB3 ALA 14 HB3 ALA 14 -12.451 -6.365 5.341 121 H LYS 15 HN LYS 15 -10.700 -3.603 2.521 122 HA LYS 15 HA LYS 15 -12.396 -3.496 0.330 123 HB2 LYS 15 HB2 LYS 15 -10.886 -1.650 1.164 124 HB3 LYS 15 HB1 LYS 15 -9.554 -2.459 0.341 125 HG2 LYS 15 HG2 LYS 15 -10.675 -2.242 -1.800 126 HG3 LYS 15 HG1 LYS 15 -12.107 -1.572 -1.020 127 HD2 LYS 15 HD2 LYS 15 -10.799 0.361 -0.257 128 HD3 LYS 15 HD1 LYS 15 -9.345 -0.319 -0.989 129 HE2 LYS 15 HE2 LYS 15 -10.285 1.329 -2.504 130 HE3 LYS 15 HE1 LYS 15 -10.500 -0.275 -3.200 131 HZ1 LYS 15 HZ1 LYS 15 -12.709 -0.133 -3.038 132 HZ2 LYS 15 HZ2 LYS 15 -12.464 1.541 -2.871 133 HZ3 LYS 15 HZ3 LYS 15 -12.661 0.565 -1.494 134 H VAL 16 HN VAL 16 -9.835 -5.652 0.883 135 HA VAL 16 HA VAL 16 -8.965 -6.096 -1.792 136 HB VAL 16 HB VAL 16 -8.886 -7.878 0.652 137 HG11 VAL 16 HG11 VAL 16 -7.678 -8.166 -2.106 138 HG12 VAL 16 HG12 VAL 16 -8.704 -9.319 -1.251 139 HG13 VAL 16 HG13 VAL 16 -7.054 -9.031 -0.702 140 HG21 VAL 16 HG21 VAL 16 -6.706 -6.256 -0.688 141 HG22 VAL 16 HG22 VAL 16 -6.591 -7.134 0.837 142 HG23 VAL 16 HG23 VAL 16 -7.616 -5.703 0.718 143 H PHE 17 HN PHE 17 -11.433 -7.609 0.258 144 HA PHE 17 HA PHE 17 -12.565 -8.896 -2.173 145 HB2 PHE 17 HB2 PHE 17 -13.259 -10.774 -0.753 146 HB3 PHE 17 HB1 PHE 17 -11.505 -10.592 -0.749 147 HD1 PHE 17 HD1 PHE 17 -10.348 -9.609 1.206 148 HD2 PHE 17 HD2 PHE 17 -14.575 -10.350 1.228 149 HE1 PHE 17 HE1 PHE 17 -10.376 -9.360 3.673 150 HE2 PHE 17 HE2 PHE 17 -14.607 -10.103 3.696 151 HZ PHE 17 HZ PHE 17 -12.506 -9.608 4.918 152 H ALA 18 HN ALA 18 -14.854 -9.225 -2.127 153 HA ALA 18 HA ALA 18 -16.406 -7.064 -1.571 154 HB1 ALA 18 HB1 ALA 18 -17.326 -9.936 -1.293 155 HB2 ALA 18 HB2 ALA 18 -17.170 -9.070 -2.821 156 HB3 ALA 18 HB3 ALA 18 -18.348 -8.537 -1.622 157 H LYS 19 HN LYS 19 -16.930 -5.994 0.213 158 HA LYS 19 HA LYS 19 -16.170 -6.605 2.748 159 HB2 LYS 19 HB2 LYS 19 -18.595 -5.029 1.879 160 HB3 LYS 19 HB1 LYS 19 -17.961 -5.025 3.515 161 HG2 LYS 19 HG2 LYS 19 -15.667 -4.503 1.997 162 HG3 LYS 19 HG1 LYS 19 -16.926 -3.655 1.106 163 HD2 LYS 19 HD2 LYS 19 -17.620 -2.529 3.204 164 HD3 LYS 19 HD1 LYS 19 -16.320 -3.362 4.058 165 HE2 LYS 19 HE2 LYS 19 -14.643 -2.268 2.708 166 HE3 LYS 19 HE1 LYS 19 -15.879 -1.568 1.660 167 HZ1 LYS 19 HZ1 LYS 19 -15.971 -1.034 4.546 168 HZ2 LYS 19 HZ2 LYS 19 -16.527 -0.081 3.254 169 HZ3 LYS 19 HZ3 LYS 19 -14.864 -0.180 3.586 170 HA PRO 20 HA PRO 20 -18.778 -9.880 4.143 171 HB2 PRO 20 HB2 PRO 20 -18.883 -9.317 6.844 172 HB3 PRO 20 HB1 PRO 20 -17.470 -10.027 6.042 173 HG2 PRO 20 HG2 PRO 20 -17.978 -7.183 6.811 174 HG3 PRO 20 HG1 PRO 20 -16.489 -8.139 6.947 175 HD2 PRO 20 HD2 PRO 20 -16.866 -6.353 4.962 176 HD3 PRO 20 HD1 PRO 20 -15.928 -7.839 4.719 177 H ILE 21 HN ILE 21 -20.928 -10.319 4.581 178 HA ILE 21 HA ILE 21 -22.770 -8.107 4.364 179 HB ILE 21 HB ILE 21 -23.232 -11.079 4.706 180 HG12 ILE 21 HG12 ILE 21 -23.583 -9.319 2.261 181 HG13 ILE 21 HG11 ILE 21 -22.105 -10.237 2.583 182 HG21 ILE 21 HG21 ILE 21 -25.186 -9.934 5.511 183 HG22 ILE 21 HG22 ILE 21 -25.546 -10.442 3.862 184 HG23 ILE 21 HG23 ILE 21 -25.118 -8.764 4.194 185 HD11 ILE 21 HD11 ILE 21 -24.868 -11.477 2.432 186 HD12 ILE 21 HD12 ILE 21 -23.330 -12.329 2.556 187 HD13 ILE 21 HD13 ILE 21 -23.729 -11.439 1.086 188 H GLY 22 HN GLY 22 -24.477 -7.655 5.857 189 HA2 GLY 22 HA2 GLY 22 -23.605 -7.599 8.584 190 HA3 GLY 22 HA1 GLY 22 -25.146 -7.014 7.973 191 H ALA 23 HN ALA 23 -23.972 -10.282 7.463 192 HA ALA 23 HA ALA 23 -26.372 -11.410 8.567 193 HB1 ALA 23 HB1 ALA 23 -25.380 -13.558 7.979 194 HB2 ALA 23 HB2 ALA 23 -23.814 -12.788 7.719 195 HB3 ALA 23 HB3 ALA 23 -25.166 -12.421 6.648 196 H SER 24 HN SER 24 -25.270 -13.738 9.777 197 HA SER 24 HA SER 24 -24.909 -12.757 12.455 198 HB2 SER 24 HB2 SER 24 -24.759 -15.155 13.043 199 HB3 SER 24 HB1 SER 24 -26.167 -14.811 12.042 200 HG SER 24 HG SER 24 -24.300 -15.295 10.339 201 H TYR 25 HN TYR 25 -22.823 -13.565 9.857 202 HA TYR 25 HA TYR 25 -20.523 -14.264 11.442 203 HB2 TYR 25 HB2 TYR 25 -20.752 -13.415 8.545 204 HB3 TYR 25 HB1 TYR 25 -19.296 -14.060 9.304 205 HD1 TYR 25 HD1 TYR 25 -22.700 -14.839 8.137 206 HD2 TYR 25 HD2 TYR 25 -19.145 -16.406 9.969 207 HE1 TYR 25 HE1 TYR 25 -23.514 -17.148 7.740 208 HE2 TYR 25 HE2 TYR 25 -19.959 -18.715 9.573 209 HH TYR 25 HH TYR 25 -21.583 -19.826 7.883 210 H GLN 26 HN GLN 26 -22.024 -11.337 10.411 211 HA GLN 26 HA GLN 26 -19.780 -9.619 10.413 212 HB2 GLN 26 HB2 GLN 26 -22.159 -9.147 9.560 213 HB3 GLN 26 HB1 GLN 26 -22.565 -8.793 11.238 214 HG2 GLN 26 HG2 GLN 26 -21.966 -6.707 10.196 215 HG3 GLN 26 HG1 GLN 26 -20.643 -7.155 11.266 216 HE21 GLN 26 HE21 GLN 26 -18.835 -6.313 10.148 217 HE22 GLN 26 HE22 GLN 26 -18.436 -6.735 8.553 218 H GLY 27 HN GLY 27 -21.420 -11.214 12.938 219 HA2 GLY 27 HA2 GLY 27 -21.251 -9.518 15.110 220 HA3 GLY 27 HA1 GLY 27 -21.048 -11.260 15.214 221 H ILE 28 HN ILE 28 -18.704 -10.870 13.258 222 HA ILE 28 HA ILE 28 -16.654 -10.878 15.213 223 HB ILE 28 HB ILE 28 -16.387 -10.494 12.222 224 HG12 ILE 28 HG12 ILE 28 -17.713 -12.571 13.158 225 HG13 ILE 28 HG11 ILE 28 -16.460 -12.827 11.955 226 HG21 ILE 28 HG21 ILE 28 -14.270 -10.038 13.235 227 HG22 ILE 28 HG22 ILE 28 -14.171 -11.729 12.754 228 HG23 ILE 28 HG23 ILE 28 -14.482 -11.305 14.437 229 HD11 ILE 28 HD11 ILE 28 -14.923 -13.630 13.545 230 HD12 ILE 28 HD12 ILE 28 -16.449 -14.334 14.070 231 HD13 ILE 28 HD13 ILE 28 -15.798 -12.928 14.895 232 H LEU 29 HN LEU 29 -17.767 -8.444 12.914 233 HA LEU 29 HA LEU 29 -15.771 -6.532 13.880 234 HB2 LEU 29 HB2 LEU 29 -17.840 -6.553 11.683 235 HB3 LEU 29 HB1 LEU 29 -17.124 -5.026 12.201 236 HG LEU 29 HG LEU 29 -14.856 -6.018 11.820 237 HD11 LEU 29 HD11 LEU 29 -15.278 -8.357 12.018 238 HD12 LEU 29 HD12 LEU 29 -14.873 -8.091 10.325 239 HD13 LEU 29 HD13 LEU 29 -16.556 -8.306 10.807 240 HD21 LEU 29 HD21 LEU 29 -15.794 -4.624 10.091 241 HD22 LEU 29 HD22 LEU 29 -16.804 -5.946 9.505 242 HD23 LEU 29 HD23 LEU 29 -15.053 -6.019 9.309 243 H ASP 30 HN ASP 30 -19.271 -7.046 13.989 244 HA ASP 30 HA ASP 30 -20.027 -4.627 15.175 245 HB2 ASP 30 HB2 ASP 30 -21.542 -6.473 14.287 246 HB3 ASP 30 HB1 ASP 30 -21.263 -7.307 15.813 247 H GLN 31 HN GLN 31 -19.047 -7.685 16.717 248 HA GLN 31 HA GLN 31 -19.358 -6.832 19.374 249 HB2 GLN 31 HB2 GLN 31 -19.034 -9.208 18.638 250 HB3 GLN 31 HB1 GLN 31 -17.339 -8.834 18.334 251 HG2 GLN 31 HG2 GLN 31 -17.523 -9.815 20.543 252 HG3 GLN 31 HG1 GLN 31 -17.127 -8.115 20.727 253 HE21 GLN 31 HE21 GLN 31 -18.176 -7.747 22.752 254 HE22 GLN 31 HE22 GLN 31 -19.853 -7.902 22.961 255 H LEU 32 HN LEU 32 -16.892 -6.208 17.015 256 HA LEU 32 HA LEU 32 -14.776 -5.549 18.732 257 HB2 LEU 32 HB2 LEU 32 -14.984 -5.722 16.047 258 HB3 LEU 32 HB1 LEU 32 -15.174 -3.979 16.189 259 HG LEU 32 HG LEU 32 -12.809 -4.475 15.901 260 HD11 LEU 32 HD11 LEU 32 -13.658 -2.737 17.661 261 HD12 LEU 32 HD12 LEU 32 -11.967 -3.213 17.702 262 HD13 LEU 32 HD13 LEU 32 -13.095 -3.914 18.850 263 HD21 LEU 32 HD21 LEU 32 -11.761 -6.246 16.885 264 HD22 LEU 32 HD22 LEU 32 -13.364 -6.842 17.267 265 HD23 LEU 32 HD23 LEU 32 -12.459 -5.926 18.466 266 H ASP 33 HN ASP 33 -17.434 -3.604 17.450 267 HA ASP 33 HA ASP 33 -16.587 -1.122 18.507 268 HB2 ASP 33 HB2 ASP 33 -19.215 -2.259 17.577 269 HB3 ASP 33 HB1 ASP 33 -19.201 -0.700 18.407 270 H LEU 34 HN LEU 34 -18.444 -3.768 19.876 271 HA LEU 34 HA LEU 34 -19.328 -2.427 22.200 272 HB2 LEU 34 HB2 LEU 34 -18.972 -5.302 21.401 273 HB3 LEU 34 HB1 LEU 34 -19.287 -4.932 23.100 274 HG LEU 34 HG LEU 34 -21.308 -3.665 22.441 275 HD11 LEU 34 HD11 LEU 34 -20.672 -2.927 20.228 276 HD12 LEU 34 HD12 LEU 34 -22.103 -3.947 20.066 277 HD13 LEU 34 HD13 LEU 34 -20.513 -4.592 19.676 278 HD21 LEU 34 HD21 LEU 34 -21.048 -6.518 21.471 279 HD22 LEU 34 HD22 LEU 34 -22.595 -5.674 21.544 280 HD23 LEU 34 HD23 LEU 34 -21.674 -5.956 23.021 281 H VAL 35 HN VAL 35 -16.350 -4.140 21.440 282 HA VAL 35 HA VAL 35 -15.262 -4.404 23.979 283 HB VAL 35 HB VAL 35 -13.869 -3.766 21.367 284 HG11 VAL 35 HG11 VAL 35 -12.827 -4.653 24.065 285 HG12 VAL 35 HG12 VAL 35 -12.324 -3.252 23.116 286 HG13 VAL 35 HG13 VAL 35 -11.910 -4.879 22.573 287 HG21 VAL 35 HG21 VAL 35 -13.667 -6.105 21.081 288 HG22 VAL 35 HG22 VAL 35 -15.320 -5.904 21.661 289 HG23 VAL 35 HG23 VAL 35 -14.053 -6.429 22.767 290 H HIS 36 HN HIS 36 -15.755 -1.553 22.072 291 HA HIS 36 HA HIS 36 -13.911 0.079 23.617 292 HB2 HIS 36 HB2 HIS 36 -15.915 0.685 21.437 293 HB3 HIS 36 HB1 HIS 36 -15.003 1.945 22.269 294 HD2 HIS 36 HD2 HIS 36 -14.524 -0.444 19.327 295 HE1 HIS 36 HE1 HIS 36 -10.656 0.857 20.400 296 HE2 HIS 36 HE2 HIS 36 -12.012 -0.357 18.628 297 H GLN 37 HN GLN 37 -17.447 -0.077 23.167 298 HA GLN 37 HA GLN 37 -17.871 1.712 25.420 299 HB2 GLN 37 HB2 GLN 37 -19.273 1.538 23.221 300 HB3 GLN 37 HB1 GLN 37 -20.058 0.178 24.021 301 HG2 GLN 37 HG2 GLN 37 -21.371 2.094 24.575 302 HG3 GLN 37 HG1 GLN 37 -20.422 1.739 26.013 303 HE21 GLN 37 HE21 GLN 37 -20.108 3.706 22.999 304 HE22 GLN 37 HE22 GLN 37 -19.351 5.016 23.770 305 H ALA 38 HN ALA 38 -17.195 -1.509 25.119 306 HA ALA 38 HA ALA 38 -19.031 -2.674 26.957 307 HB1 ALA 38 HB1 ALA 38 -17.934 -4.240 25.598 308 HB2 ALA 38 HB2 ALA 38 -17.092 -4.423 27.134 309 HB3 ALA 38 HB3 ALA 38 -16.358 -3.482 25.833 310 H LYS 39 HN LYS 39 -18.787 -3.141 29.135 311 HA LYS 39 HA LYS 39 -17.286 -1.236 30.671 312 HB2 LYS 39 HB2 LYS 39 -18.712 -3.698 31.684 313 HB3 LYS 39 HB1 LYS 39 -18.298 -2.251 32.597 314 HG2 LYS 39 HG2 LYS 39 -20.395 -1.492 32.070 315 HG3 LYS 39 HG1 LYS 39 -19.756 -1.194 30.457 316 HD2 LYS 39 HD2 LYS 39 -20.445 -3.440 29.742 317 HD3 LYS 39 HD1 LYS 39 -21.036 -3.790 31.366 318 HE2 LYS 39 HE2 LYS 39 -22.914 -3.127 29.982 319 HE3 LYS 39 HE1 LYS 39 -22.602 -1.858 31.165 320 HZ1 LYS 39 HZ1 LYS 39 -21.661 -1.874 28.348 321 HZ2 LYS 39 HZ2 LYS 39 -21.341 -0.656 29.490 322 HZ3 LYS 39 HZ3 LYS 39 -22.932 -0.935 28.963 323 H GLY 40 HN GLY 40 -15.891 -1.963 32.514 324 HA2 GLY 40 HA2 GLY 40 -13.559 -3.131 31.692 325 HA3 GLY 40 HA1 GLY 40 -14.092 -3.130 33.370 326 H ARG 41 HN ARG 41 -15.990 -4.830 33.692 327 HA ARG 41 HA ARG 41 -14.815 -7.392 33.353 328 HB2 ARG 41 HB2 ARG 41 -17.655 -6.623 34.099 329 HB3 ARG 41 HB1 ARG 41 -16.952 -8.230 34.277 330 HG2 ARG 41 HG2 ARG 41 -15.307 -7.420 35.850 331 HG3 ARG 41 HG1 ARG 41 -15.797 -5.748 35.570 332 HD2 ARG 41 HD2 ARG 41 -18.060 -6.291 36.432 333 HD3 ARG 41 HD1 ARG 41 -17.514 -7.929 36.784 334 HE ARG 41 HE ARG 41 -15.732 -6.176 38.052 335 HH11 ARG 41 HH21 ARG 41 -19.077 -7.056 38.133 336 HH12 ARG 41 HH22 ARG 41 -19.273 -6.702 39.818 337 HH21 ARG 41 HH11 ARG 41 -15.980 -5.707 40.261 338 HH22 ARG 41 HH12 ARG 41 -17.518 -5.938 41.022 339 H ASP 42 HN ASP 42 -17.451 -5.710 31.678 340 HA ASP 42 HA ASP 42 -18.217 -7.899 30.043 341 HB2 ASP 42 HB2 ASP 42 -19.558 -5.805 30.529 342 HB3 ASP 42 HB1 ASP 42 -18.528 -4.981 29.355 343 H GLN 43 HN GLN 43 -15.621 -5.633 29.890 344 HA GLN 43 HA GLN 43 -15.089 -5.758 27.105 345 HB2 GLN 43 HB2 GLN 43 -14.168 -4.021 28.648 346 HB3 GLN 43 HB1 GLN 43 -13.120 -5.255 29.348 347 HG2 GLN 43 HG2 GLN 43 -12.118 -5.660 27.128 348 HG3 GLN 43 HG1 GLN 43 -13.161 -4.418 26.435 349 HE21 GLN 43 HE21 GLN 43 -11.692 -2.743 25.962 350 HE22 GLN 43 HE22 GLN 43 -10.645 -2.051 27.105 351 H ILE 44 HN ILE 44 -14.101 -7.711 29.860 352 HA ILE 44 HA ILE 44 -12.142 -9.255 28.518 353 HB ILE 44 HB ILE 44 -13.773 -9.654 31.022 354 HG12 ILE 44 HG12 ILE 44 -11.379 -9.697 31.945 355 HG13 ILE 44 HG11 ILE 44 -10.848 -9.164 30.357 356 HG21 ILE 44 HG21 ILE 44 -12.018 -11.648 29.586 357 HG22 ILE 44 HG22 ILE 44 -13.598 -11.894 30.328 358 HG23 ILE 44 HG23 ILE 44 -12.172 -11.693 31.343 359 HD11 ILE 44 HD11 ILE 44 -12.152 -7.149 30.512 360 HD12 ILE 44 HD12 ILE 44 -11.253 -7.300 32.019 361 HD13 ILE 44 HD13 ILE 44 -12.961 -7.719 31.970 362 H ALA 45 HN ALA 45 -15.600 -9.753 29.090 363 HA ALA 45 HA ALA 45 -15.844 -12.321 28.040 364 HB1 ALA 45 HB1 ALA 45 -17.666 -11.152 29.215 365 HB2 ALA 45 HB2 ALA 45 -18.205 -11.752 27.647 366 HB3 ALA 45 HB3 ALA 45 -17.831 -10.041 27.855 367 H ALA 46 HN ALA 46 -15.875 -9.182 26.388 368 HA ALA 46 HA ALA 46 -16.528 -10.125 23.809 369 HB1 ALA 46 HB1 ALA 46 -15.744 -7.995 23.019 370 HB2 ALA 46 HB2 ALA 46 -14.821 -7.734 24.502 371 HB3 ALA 46 HB3 ALA 46 -16.583 -7.731 24.548 372 H SER 47 HN SER 47 -13.409 -9.577 25.421 373 HA SER 47 HA SER 47 -11.792 -10.247 23.220 374 HB2 SER 47 HB2 SER 47 -9.994 -10.548 24.894 375 HB3 SER 47 HB1 SER 47 -10.899 -9.061 25.156 376 HG SER 47 HG SER 47 -10.507 -11.021 26.853 377 H PHE 48 HN PHE 48 -13.111 -12.182 25.869 378 HA PHE 48 HA PHE 48 -11.800 -14.604 25.196 379 HB2 PHE 48 HB2 PHE 48 -14.179 -13.849 26.861 380 HB3 PHE 48 HB1 PHE 48 -13.945 -15.551 26.466 381 HD1 PHE 48 HD1 PHE 48 -11.618 -12.725 27.314 382 HD2 PHE 48 HD2 PHE 48 -12.943 -16.701 28.228 383 HE1 PHE 48 HE1 PHE 48 -9.881 -12.893 29.069 384 HE2 PHE 48 HE2 PHE 48 -11.211 -16.873 29.987 385 HZ PHE 48 HZ PHE 48 -9.679 -14.970 30.410 386 H GLU 49 HN GLU 49 -14.956 -13.262 24.299 387 HA GLU 49 HA GLU 49 -15.827 -15.525 22.818 388 HB2 GLU 49 HB2 GLU 49 -17.357 -13.756 23.631 389 HB3 GLU 49 HB1 GLU 49 -16.624 -12.621 22.498 390 HG2 GLU 49 HG2 GLU 49 -17.322 -13.993 20.607 391 HG3 GLU 49 HG1 GLU 49 -17.965 -15.219 21.699 392 H LEU 50 HN LEU 50 -14.244 -12.490 21.865 393 HA LEU 50 HA LEU 50 -14.159 -13.015 19.096 394 HB2 LEU 50 HB2 LEU 50 -12.434 -11.288 20.874 395 HB3 LEU 50 HB1 LEU 50 -12.262 -11.335 19.125 396 HG LEU 50 HG LEU 50 -14.906 -10.761 20.488 397 HD11 LEU 50 HD11 LEU 50 -12.772 -8.827 19.540 398 HD12 LEU 50 HD12 LEU 50 -13.357 -9.023 21.192 399 HD13 LEU 50 HD13 LEU 50 -14.422 -8.359 19.952 400 HD21 LEU 50 HD21 LEU 50 -15.133 -9.560 18.138 401 HD22 LEU 50 HD22 LEU 50 -15.378 -11.290 18.258 402 HD23 LEU 50 HD23 LEU 50 -13.847 -10.659 17.660 403 H ASN 51 HN ASN 51 -11.987 -13.846 21.733 404 HA ASN 51 HA ASN 51 -9.769 -14.697 20.274 405 HB2 ASN 51 HB2 ASN 51 -9.721 -14.526 22.704 406 HB3 ASN 51 HB1 ASN 51 -10.917 -15.813 22.848 407 HD21 ASN 51 HD21 ASN 51 -8.726 -16.477 24.202 408 HD22 ASN 51 HD22 ASN 51 -7.709 -17.528 23.340 409 H LYS 52 HN LYS 52 -12.666 -16.535 21.243 410 HA LYS 52 HA LYS 52 -11.859 -19.002 20.094 411 HB2 LYS 52 HB2 LYS 52 -14.664 -17.949 20.546 412 HB3 LYS 52 HB1 LYS 52 -14.206 -19.637 20.317 413 HG2 LYS 52 HG2 LYS 52 -12.903 -19.634 22.359 414 HG3 LYS 52 HG1 LYS 52 -13.154 -17.899 22.562 415 HD2 LYS 52 HD2 LYS 52 -15.698 -18.491 22.553 416 HD3 LYS 52 HD1 LYS 52 -15.154 -20.141 22.856 417 HE2 LYS 52 HE2 LYS 52 -13.757 -19.133 24.771 418 HE3 LYS 52 HE1 LYS 52 -14.747 -17.688 24.552 419 HZ1 LYS 52 HZ1 LYS 52 -16.645 -19.513 24.629 420 HZ2 LYS 52 HZ2 LYS 52 -16.041 -18.781 26.039 421 HZ3 LYS 52 HZ3 LYS 52 -15.492 -20.320 25.575 422 H LYS 53 HN LYS 53 -13.910 -16.357 18.895 423 HA LYS 53 HA LYS 53 -14.537 -17.523 16.387 424 HB2 LYS 53 HB2 LYS 53 -14.376 -14.633 17.262 425 HB3 LYS 53 HB1 LYS 53 -14.965 -15.134 15.680 426 HG2 LYS 53 HG2 LYS 53 -16.712 -16.487 16.736 427 HG3 LYS 53 HG1 LYS 53 -16.100 -16.053 18.333 428 HD2 LYS 53 HD2 LYS 53 -16.552 -13.662 17.837 429 HD3 LYS 53 HD1 LYS 53 -17.218 -14.130 16.275 430 HE2 LYS 53 HE2 LYS 53 -18.263 -15.245 18.868 431 HE3 LYS 53 HE1 LYS 53 -18.915 -13.781 18.140 432 HZ1 LYS 53 HZ1 LYS 53 -18.954 -15.387 16.047 433 HZ2 LYS 53 HZ2 LYS 53 -20.253 -15.279 17.135 434 HZ3 LYS 53 HZ3 LYS 53 -19.135 -16.550 17.267 435 H ILE 54 HN ILE 54 -11.904 -15.347 17.364 436 HA ILE 54 HA ILE 54 -10.752 -15.102 14.781 437 HB ILE 54 HB ILE 54 -9.600 -14.740 17.555 438 HG12 ILE 54 HG12 ILE 54 -10.297 -12.689 15.439 439 HG13 ILE 54 HG11 ILE 54 -11.435 -13.194 16.686 440 HG21 ILE 54 HG21 ILE 54 -7.814 -13.426 16.227 441 HG22 ILE 54 HG22 ILE 54 -8.387 -14.320 14.819 442 HG23 ILE 54 HG23 ILE 54 -7.707 -15.190 16.191 443 HD11 ILE 54 HD11 ILE 54 -9.863 -12.488 18.436 444 HD12 ILE 54 HD12 ILE 54 -10.203 -11.144 17.347 445 HD13 ILE 54 HD13 ILE 54 -8.684 -12.029 17.207 446 H ASN 55 HN ASN 55 -10.054 -17.237 17.535 447 HA ASN 55 HA ASN 55 -7.867 -18.578 16.357 448 HB2 ASN 55 HB2 ASN 55 -8.339 -18.683 18.762 449 HB3 ASN 55 HB1 ASN 55 -9.830 -19.566 18.440 450 HD21 ASN 55 HD21 ASN 55 -9.152 -21.539 19.488 451 HD22 ASN 55 HD22 ASN 55 -7.899 -22.502 18.871 452 H ASP 56 HN ASP 56 -11.345 -19.249 16.372 453 HA ASP 56 HA ASP 56 -11.229 -21.748 15.063 454 HB2 ASP 56 HB2 ASP 56 -13.218 -20.779 16.278 455 HB3 ASP 56 HB1 ASP 56 -13.478 -19.736 14.880 456 H TYR 57 HN TYR 57 -11.658 -18.449 13.817 457 HA TYR 57 HA TYR 57 -11.993 -19.125 11.109 458 HB2 TYR 57 HB2 TYR 57 -11.125 -16.678 12.608 459 HB3 TYR 57 HB1 TYR 57 -10.846 -16.709 10.867 460 HD1 TYR 57 HD2 TYR 57 -13.619 -18.085 12.997 461 HD2 TYR 57 HD1 TYR 57 -12.492 -15.419 9.823 462 HE1 TYR 57 HE2 TYR 57 -16.003 -17.551 12.601 463 HE2 TYR 57 HE1 TYR 57 -14.876 -14.887 9.425 464 HH TYR 57 HH TYR 57 -17.143 -16.159 9.875 465 H ILE 58 HN ILE 58 -9.049 -18.373 12.955 466 HA ILE 58 HA ILE 58 -7.256 -18.588 10.779 467 HB ILE 58 HB ILE 58 -6.844 -18.994 13.749 468 HG12 ILE 58 HG12 ILE 58 -6.062 -16.671 11.958 469 HG13 ILE 58 HG11 ILE 58 -7.586 -16.721 12.859 470 HG21 ILE 58 HG21 ILE 58 -4.404 -18.515 13.078 471 HG22 ILE 58 HG22 ILE 58 -4.903 -18.905 11.431 472 HG23 ILE 58 HG23 ILE 58 -5.029 -20.122 12.701 473 HD11 ILE 58 HD11 ILE 58 -6.190 -17.123 14.954 474 HD12 ILE 58 HD12 ILE 58 -6.032 -15.526 14.235 475 HD13 ILE 58 HD13 ILE 58 -4.772 -16.734 13.980 476 H ALA 59 HN ALA 59 -8.323 -20.949 13.213 477 HA ALA 59 HA ALA 59 -6.719 -23.093 12.304 478 HB1 ALA 59 HB1 ALA 59 -9.373 -23.183 13.755 479 HB2 ALA 59 HB2 ALA 59 -7.788 -23.073 14.521 480 HB3 ALA 59 HB3 ALA 59 -8.230 -24.518 13.610 481 H GLU 60 HN GLU 60 -9.854 -21.868 11.329 482 HA GLU 60 HA GLU 60 -10.632 -24.124 9.773 483 HB2 GLU 60 HB2 GLU 60 -12.174 -22.316 10.616 484 HB3 GLU 60 HB1 GLU 60 -11.493 -21.248 9.388 485 HG2 GLU 60 HG2 GLU 60 -13.485 -22.210 8.446 486 HG3 GLU 60 HG1 GLU 60 -12.120 -22.997 7.661 487 H HIS 61 HN HIS 61 -8.964 -21.087 9.025 488 HA HIS 61 HA HIS 61 -7.953 -22.303 6.540 489 HB2 HIS 61 HB2 HIS 61 -9.255 -19.579 6.665 490 HB3 HIS 61 HB1 HIS 61 -8.454 -20.286 5.262 491 HD2 HIS 61 HD2 HIS 61 -11.952 -19.837 6.114 492 HE1 HIS 61 HE1 HIS 61 -11.896 -23.814 4.699 493 HE2 HIS 61 HE2 HIS 61 -13.393 -21.841 5.262 494 HA PRO 62 HA PRO 62 -4.803 -19.866 8.944 495 HB2 PRO 62 HB2 PRO 62 -3.068 -21.923 9.454 496 HB3 PRO 62 HB1 PRO 62 -4.432 -21.525 10.512 497 HG2 PRO 62 HG2 PRO 62 -4.161 -23.718 8.519 498 HG3 PRO 62 HG1 PRO 62 -5.013 -23.703 10.071 499 HD2 PRO 62 HD2 PRO 62 -6.238 -23.429 7.578 500 HD3 PRO 62 HD1 PRO 62 -6.964 -22.926 9.117 501 H THR 63 HN THR 63 -4.805 -21.985 6.225 502 HA THR 63 HA THR 63 -2.119 -21.287 5.342 503 HB THR 63 HB THR 63 -2.701 -22.659 3.361 504 HG1 THR 63 HG1 THR 63 -4.755 -22.744 2.977 505 HG21 THR 63 HG21 THR 63 -1.757 -23.740 5.346 506 HG22 THR 63 HG22 THR 63 -2.948 -24.799 4.588 507 HG23 THR 63 HG23 THR 63 -3.370 -23.898 6.044 508 H SER 64 HN SER 64 -5.282 -20.022 5.074 509 HA SER 64 HA SER 64 -5.310 -18.871 2.542 510 HB2 SER 64 HB2 SER 64 -6.791 -17.129 3.593 511 HB3 SER 64 HB1 SER 64 -7.276 -18.788 3.920 512 HG SER 64 HG SER 64 -7.193 -17.329 5.777 513 H GLY 65 HN GLY 65 -5.271 -16.392 4.904 514 HA2 GLY 65 HA2 GLY 65 -2.716 -15.490 5.122 515 HA3 GLY 65 HA1 GLY 65 -3.177 -14.986 3.499 516 H ARG 66 HN ARG 66 -5.932 -14.493 4.039 517 HA ARG 66 HA ARG 66 -5.803 -11.815 4.963 518 HB2 ARG 66 HB2 ARG 66 -8.212 -13.622 4.605 519 HB3 ARG 66 HB1 ARG 66 -8.264 -11.871 4.793 520 HG2 ARG 66 HG2 ARG 66 -6.796 -13.319 2.567 521 HG3 ARG 66 HG1 ARG 66 -8.385 -12.571 2.399 522 HD2 ARG 66 HD2 ARG 66 -7.064 -10.812 1.674 523 HD3 ARG 66 HD1 ARG 66 -7.076 -10.445 3.392 524 HE ARG 66 HE ARG 66 -4.833 -11.074 3.506 525 HH11 ARG 66 HH21 ARG 66 -6.270 -11.994 0.499 526 HH12 ARG 66 HH22 ARG 66 -4.765 -12.418 -0.247 527 HH21 ARG 66 HH11 ARG 66 -2.858 -11.628 2.538 528 HH22 ARG 66 HH12 ARG 66 -2.833 -12.211 0.908 529 H ASN 67 HN ASN 67 -6.684 -14.847 6.503 530 HA ASN 67 HA ASN 67 -7.845 -13.801 8.847 531 HB2 ASN 67 HB2 ASN 67 -6.350 -16.383 8.349 532 HB3 ASN 67 HB1 ASN 67 -7.202 -16.017 9.848 533 HD21 ASN 67 HD21 ASN 67 -9.149 -14.436 7.849 534 HD22 ASN 67 HD22 ASN 67 -10.187 -15.675 7.339 535 H GLN 68 HN GLN 68 -4.514 -14.240 7.874 536 HA GLN 68 HA GLN 68 -3.134 -14.175 10.246 537 HB2 GLN 68 HB2 GLN 68 -2.474 -12.645 7.718 538 HB3 GLN 68 HB1 GLN 68 -1.341 -12.993 9.019 539 HG2 GLN 68 HG2 GLN 68 -2.839 -15.108 7.450 540 HG3 GLN 68 HG1 GLN 68 -1.176 -14.622 7.128 541 HE21 GLN 68 HE21 GLN 68 -2.601 -17.174 8.376 542 HE22 GLN 68 HE22 GLN 68 -1.617 -17.507 9.718 543 H ALA 69 HN ALA 69 -5.171 -11.733 8.940 544 HA ALA 69 HA ALA 69 -4.041 -9.571 10.535 545 HB1 ALA 69 HB1 ALA 69 -6.621 -9.659 8.950 546 HB2 ALA 69 HB2 ALA 69 -5.059 -9.158 8.301 547 HB3 ALA 69 HB3 ALA 69 -5.823 -8.221 9.585 548 H LEU 70 HN LEU 70 -6.661 -11.886 10.714 549 HA LEU 70 HA LEU 70 -8.129 -10.633 12.795 550 HB2 LEU 70 HB2 LEU 70 -7.942 -13.536 11.953 551 HB3 LEU 70 HB1 LEU 70 -9.101 -12.917 13.123 552 HG LEU 70 HG LEU 70 -8.844 -11.883 10.287 553 HD11 LEU 70 HD11 LEU 70 -9.624 -14.276 10.451 554 HD12 LEU 70 HD12 LEU 70 -10.819 -13.176 9.764 555 HD13 LEU 70 HD13 LEU 70 -10.971 -13.708 11.437 556 HD21 LEU 70 HD21 LEU 70 -9.910 -10.160 11.408 557 HD22 LEU 70 HD22 LEU 70 -10.573 -11.212 12.657 558 HD23 LEU 70 HD23 LEU 70 -11.314 -11.158 11.062 559 H THR 71 HN THR 71 -5.478 -12.955 12.774 560 HA THR 71 HA THR 71 -5.480 -13.625 15.493 561 HB THR 71 HB THR 71 -4.064 -14.540 13.470 562 HG1 THR 71 HG1 THR 71 -2.688 -15.444 14.997 563 HG21 THR 71 HG21 THR 71 -2.912 -12.222 13.327 564 HG22 THR 71 HG22 THR 71 -1.896 -13.655 13.211 565 HG23 THR 71 HG23 THR 71 -1.990 -12.759 14.726 566 H GLN 72 HN GLN 72 -4.361 -10.774 13.836 567 HA GLN 72 HA GLN 72 -2.611 -9.743 15.776 568 HB2 GLN 72 HB2 GLN 72 -4.373 -8.334 13.775 569 HB3 GLN 72 HB1 GLN 72 -3.139 -7.531 14.734 570 HG2 GLN 72 HG2 GLN 72 -1.408 -8.962 13.776 571 HG3 GLN 72 HG1 GLN 72 -2.623 -9.866 12.874 572 HE21 GLN 72 HE21 GLN 72 -0.300 -8.032 11.972 573 HE22 GLN 72 HE22 GLN 72 -1.042 -6.950 10.894 574 H LEU 73 HN LEU 73 -6.119 -9.526 15.417 575 HA LEU 73 HA LEU 73 -6.584 -7.639 17.444 576 HB2 LEU 73 HB2 LEU 73 -8.246 -9.747 16.118 577 HB3 LEU 73 HB1 LEU 73 -8.897 -8.889 17.506 578 HG LEU 73 HG LEU 73 -7.666 -7.365 15.195 579 HD11 LEU 73 HD11 LEU 73 -10.499 -8.414 15.422 580 HD12 LEU 73 HD12 LEU 73 -9.335 -8.757 14.141 581 HD13 LEU 73 HD13 LEU 73 -10.010 -7.136 14.310 582 HD21 LEU 73 HD21 LEU 73 -9.494 -5.724 16.044 583 HD22 LEU 73 HD22 LEU 73 -8.087 -5.963 17.069 584 HD23 LEU 73 HD23 LEU 73 -9.598 -6.766 17.454 585 H LYS 74 HN LYS 74 -6.336 -11.149 17.511 586 HA LYS 74 HA LYS 74 -7.209 -11.610 20.118 587 HB2 LYS 74 HB2 LYS 74 -6.734 -13.406 18.491 588 HB3 LYS 74 HB1 LYS 74 -5.010 -13.055 18.614 589 HG2 LYS 74 HG2 LYS 74 -5.047 -13.615 21.012 590 HG3 LYS 74 HG1 LYS 74 -6.782 -13.914 20.921 591 HD2 LYS 74 HD2 LYS 74 -6.380 -15.728 19.297 592 HD3 LYS 74 HD1 LYS 74 -4.645 -15.426 19.392 593 HE2 LYS 74 HE2 LYS 74 -4.651 -15.976 21.779 594 HE3 LYS 74 HE1 LYS 74 -6.398 -16.215 21.738 595 HZ1 LYS 74 HZ1 LYS 74 -4.319 -17.811 20.354 596 HZ2 LYS 74 HZ2 LYS 74 -5.976 -17.943 20.002 597 HZ3 LYS 74 HZ3 LYS 74 -5.401 -18.333 21.551 598 H GLU 75 HN GLU 75 -3.882 -11.058 18.987 599 HA GLU 75 HA GLU 75 -2.751 -11.040 21.589 600 HB2 GLU 75 HB2 GLU 75 -0.768 -10.021 20.433 601 HB3 GLU 75 HB1 GLU 75 -1.328 -11.541 19.732 602 HG2 GLU 75 HG2 GLU 75 -2.586 -10.293 18.027 603 HG3 GLU 75 HG1 GLU 75 -2.027 -8.779 18.720 604 H GLN 76 HN GLN 76 -4.000 -8.537 19.466 605 HA GLN 76 HA GLN 76 -3.023 -6.323 20.936 606 HB2 GLN 76 HB2 GLN 76 -5.253 -6.678 18.959 607 HB3 GLN 76 HB1 GLN 76 -4.975 -5.127 19.726 608 HG2 GLN 76 HG2 GLN 76 -2.817 -6.659 18.267 609 HG3 GLN 76 HG1 GLN 76 -3.819 -5.443 17.494 610 HE21 GLN 76 HE21 GLN 76 -0.830 -5.762 18.828 611 HE22 GLN 76 HE22 GLN 76 -0.613 -4.200 19.455 612 H VAL 77 HN VAL 77 -6.347 -7.617 20.776 613 HA VAL 77 HA VAL 77 -7.390 -6.055 22.836 614 HB VAL 77 HB VAL 77 -8.669 -7.493 21.181 615 HG11 VAL 77 HG11 VAL 77 -8.256 -9.670 23.229 616 HG12 VAL 77 HG12 VAL 77 -7.259 -9.550 21.785 617 HG13 VAL 77 HG13 VAL 77 -8.992 -9.806 21.634 618 HG21 VAL 77 HG21 VAL 77 -10.466 -8.026 22.853 619 HG22 VAL 77 HG22 VAL 77 -9.820 -6.390 23.016 620 HG23 VAL 77 HG23 VAL 77 -9.316 -7.654 24.140 621 H THR 78 HN THR 78 -5.893 -9.268 22.957 622 HA THR 78 HA THR 78 -6.333 -9.776 25.687 623 HB THR 78 HB THR 78 -4.339 -11.318 25.436 624 HG1 THR 78 HG1 THR 78 -3.280 -10.077 23.843 625 HG21 THR 78 HG21 THR 78 -6.421 -12.324 25.021 626 HG22 THR 78 HG22 THR 78 -5.519 -12.651 23.542 627 HG23 THR 78 HG23 THR 78 -6.710 -11.357 23.579 628 H SER 79 HN SER 79 -3.702 -8.121 23.996 629 HA SER 79 HA SER 79 -1.985 -7.786 26.204 630 HB2 SER 79 HB2 SER 79 -2.343 -6.099 23.720 631 HB3 SER 79 HB1 SER 79 -1.026 -5.900 24.873 632 HG SER 79 HG SER 79 -0.086 -7.551 23.991 633 H ALA 80 HN ALA 80 -4.654 -5.817 24.975 634 HA ALA 80 HA ALA 80 -4.319 -3.572 26.608 635 HB1 ALA 80 HB1 ALA 80 -5.917 -3.782 24.678 636 HB2 ALA 80 HB2 ALA 80 -6.616 -3.051 26.123 637 HB3 ALA 80 HB3 ALA 80 -6.963 -4.736 25.731 638 H LEU 81 HN LEU 81 -6.203 -6.534 27.178 639 HA LEU 81 HA LEU 81 -7.144 -5.766 29.745 640 HB2 LEU 81 HB2 LEU 81 -6.774 -8.499 28.514 641 HB3 LEU 81 HB1 LEU 81 -7.662 -8.187 29.998 642 HG LEU 81 HG LEU 81 -8.312 -6.801 27.385 643 HD11 LEU 81 HD11 LEU 81 -10.252 -8.509 27.355 644 HD12 LEU 81 HD12 LEU 81 -9.285 -9.453 28.489 645 HD13 LEU 81 HD13 LEU 81 -8.664 -9.103 26.875 646 HD21 LEU 81 HD21 LEU 81 -9.331 -5.642 29.183 647 HD22 LEU 81 HD22 LEU 81 -9.671 -7.119 30.078 648 HD23 LEU 81 HD23 LEU 81 -10.600 -6.724 28.639 649 H GLY 82 HN GLY 82 -4.229 -7.354 28.629 650 HA2 GLY 82 HA2 GLY 82 -2.201 -7.511 29.752 651 HA3 GLY 82 HA1 GLY 82 -2.974 -6.883 31.203 652 H LEU 83 HN LEU 83 -3.438 -9.758 29.129 653 HA LEU 83 HA LEU 83 -4.186 -11.443 31.277 654 HB2 LEU 83 HB2 LEU 83 -3.330 -11.866 28.424 655 HB3 LEU 83 HB1 LEU 83 -3.439 -13.267 29.481 656 HG LEU 83 HG LEU 83 -5.558 -12.773 28.197 657 HD11 LEU 83 HD11 LEU 83 -6.311 -12.356 31.060 658 HD12 LEU 83 HD12 LEU 83 -5.275 -13.741 30.744 659 HD13 LEU 83 HD13 LEU 83 -6.823 -13.598 29.928 660 HD21 LEU 83 HD21 LEU 83 -5.188 -10.221 28.516 661 HD22 LEU 83 HD22 LEU 83 -5.912 -10.451 30.103 662 HD23 LEU 83 HD23 LEU 83 -6.832 -10.831 28.652 663 H GLU 84 HN GLU 84 -1.094 -10.835 29.706 664 HA GLU 84 HA GLU 84 0.220 -12.554 31.745 665 HB2 GLU 84 HB2 GLU 84 1.223 -11.582 29.053 666 HB3 GLU 84 HB1 GLU 84 2.140 -12.565 30.193 667 HG2 GLU 84 HG2 GLU 84 1.239 -14.184 28.753 668 HG3 GLU 84 HG1 GLU 84 0.096 -14.194 30.091 669 H HIS 85 HN HIS 85 -0.751 -9.747 32.064 670 HA HIS 85 HA HIS 85 1.810 -8.622 33.016 671 HB2 HIS 85 HB2 HIS 85 1.267 -7.561 30.832 672 HB3 HIS 85 HB1 HIS 85 -0.273 -7.026 31.504 673 HD2 HIS 85 HD2 HIS 85 3.526 -6.111 31.741 674 HE1 HIS 85 HE1 HIS 85 1.387 -3.388 34.157 675 HE2 HIS 85 HE2 HIS 85 3.662 -3.926 33.163 676 H HIS 86 HN HIS 86 -1.220 -9.640 33.721 677 HA HIS 86 HA HIS 86 -1.648 -7.618 35.853 678 HB2 HIS 86 HB2 HIS 86 -3.500 -8.045 34.193 679 HB3 HIS 86 HB1 HIS 86 -3.616 -9.680 34.845 680 HD2 HIS 86 HD2 HIS 86 -4.517 -6.014 35.887 681 HE1 HIS 86 HE1 HIS 86 -5.800 -8.588 38.977 682 HE2 HIS 86 HE2 HIS 86 -5.863 -6.199 38.116 683 H HIS 87 HN HIS 87 0.215 -8.830 36.900 684 HA HIS 87 HA HIS 87 0.956 -10.218 38.573 685 HB2 HIS 87 HB2 HIS 87 -1.093 -9.265 39.678 686 HB3 HIS 87 HB1 HIS 87 -1.981 -10.685 39.128 687 HD2 HIS 87 HD2 HIS 87 -1.937 -12.665 41.034 688 HE1 HIS 87 HE1 HIS 87 1.724 -11.660 42.882 689 HE2 HIS 87 HE2 HIS 87 -0.249 -13.258 42.937 690 H HIS 88 HN HIS 88 -2.060 -11.928 37.811 691 HA HIS 88 HA HIS 88 -0.573 -14.078 36.485 692 HB2 HIS 88 HB2 HIS 88 -1.343 -15.800 37.957 693 HB3 HIS 88 HB1 HIS 88 -0.602 -14.561 38.969 694 HD2 HIS 88 HD2 HIS 88 -3.487 -12.618 38.679 695 HE1 HIS 88 HE1 HIS 88 -5.045 -15.762 41.024 696 HE2 HIS 88 HE2 HIS 88 -5.435 -13.378 40.241 697 H HIS 89 HN HIS 89 -2.059 -15.722 35.571 698 HA HIS 89 HA HIS 89 -4.848 -14.912 35.254 699 HB2 HIS 89 HB2 HIS 89 -4.706 -14.882 32.795 700 HB3 HIS 89 HB1 HIS 89 -3.714 -13.612 33.511 701 HD2 HIS 89 HD2 HIS 89 -3.292 -16.595 31.133 702 HE1 HIS 89 HE1 HIS 89 0.600 -15.472 32.326 703 HE2 HIS 89 HE2 HIS 89 -0.735 -16.898 30.701 704 H HIS 90 HN HIS 90 -6.082 -16.529 33.998 705 HA HIS 90 HA HIS 90 -4.838 -19.145 33.643 706 HB2 HIS 90 HB2 HIS 90 -6.334 -20.301 35.163 707 HB3 HIS 90 HB1 HIS 90 -5.451 -19.065 36.059 708 HD2 HIS 90 HD2 HIS 90 -9.108 -19.977 35.179 709 HE1 HIS 90 HE1 HIS 90 -9.198 -16.181 37.026 710 HE2 HIS 90 HE2 HIS 90 -10.625 -18.115 36.206 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -8.863 4.174 18.785 2 H2 MET 1 HT2 MET 1 -10.368 4.891 19.116 3 H3 MET 1 HT3 MET 1 -9.547 4.031 20.330 4 HA MET 1 HA MET 1 -9.308 6.763 19.580 5 HB2 MET 1 HB2 MET 1 -8.250 5.015 21.816 6 HB3 MET 1 HB1 MET 1 -8.009 6.761 21.758 7 HG2 MET 1 HG2 MET 1 -10.428 7.126 21.734 8 HG3 MET 1 HG1 MET 1 -10.710 5.386 21.694 9 HE1 MET 1 HE1 MET 1 -9.156 8.299 23.303 10 HE2 MET 1 HE2 MET 1 -7.893 7.316 24.038 11 HE3 MET 1 HE3 MET 1 -9.152 8.019 25.050 12 H GLY 2 HN GLY 2 -7.129 3.979 19.611 13 HA2 GLY 2 HA2 GLY 2 -5.382 4.986 17.669 14 HA3 GLY 2 HA1 GLY 2 -4.703 5.381 19.245 15 H GLN 3 HN GLN 3 -4.874 3.397 20.831 16 HA GLN 3 HA GLN 3 -3.173 1.381 19.807 17 HB2 GLN 3 HB2 GLN 3 -4.810 1.523 22.346 18 HB3 GLN 3 HB1 GLN 3 -3.657 0.235 21.995 19 HG2 GLN 3 HG2 GLN 3 -1.847 1.876 21.787 20 HG3 GLN 3 HG1 GLN 3 -2.988 3.191 22.074 21 HE21 GLN 3 HE21 GLN 3 -0.731 1.267 23.637 22 HE22 GLN 3 HE22 GLN 3 -1.318 1.408 25.224 23 H ILE 4 HN ILE 4 -6.659 1.538 20.331 24 HA ILE 4 HA ILE 4 -7.022 -1.223 19.460 25 HB ILE 4 HB ILE 4 -8.991 0.831 20.351 26 HG12 ILE 4 HG12 ILE 4 -8.008 -1.650 21.761 27 HG13 ILE 4 HG11 ILE 4 -7.355 -0.040 22.064 28 HG21 ILE 4 HG21 ILE 4 -10.113 -0.714 18.886 29 HG22 ILE 4 HG22 ILE 4 -10.505 -1.189 20.538 30 HG23 ILE 4 HG23 ILE 4 -9.287 -2.082 19.628 31 HD11 ILE 4 HD11 ILE 4 -9.110 -0.635 23.710 32 HD12 ILE 4 HD12 ILE 4 -10.264 -0.833 22.391 33 HD13 ILE 4 HD13 ILE 4 -9.580 0.756 22.733 34 H PHE 5 HN PHE 5 -7.585 -1.805 17.448 35 HA PHE 5 HA PHE 5 -7.637 0.135 15.352 36 HB2 PHE 5 HB2 PHE 5 -8.248 -2.825 15.438 37 HB3 PHE 5 HB1 PHE 5 -8.316 -1.876 13.954 38 HD1 PHE 5 HD2 PHE 5 -6.251 -0.677 13.149 39 HD2 PHE 5 HD1 PHE 5 -6.164 -3.497 16.388 40 HE1 PHE 5 HE2 PHE 5 -3.791 -0.875 12.910 41 HE2 PHE 5 HE1 PHE 5 -3.704 -3.695 16.149 42 HZ PHE 5 HZ PHE 5 -2.517 -2.384 14.410 43 H THR 6 HN THR 6 -9.316 1.116 14.370 44 HA THR 6 HA THR 6 -11.934 0.910 15.589 45 HB THR 6 HB THR 6 -12.472 2.631 13.726 46 HG1 THR 6 HG1 THR 6 -10.044 3.496 13.408 47 HG21 THR 6 HG21 THR 6 -10.416 3.112 15.893 48 HG22 THR 6 HG22 THR 6 -12.162 3.358 15.988 49 HG23 THR 6 HG23 THR 6 -11.177 4.411 14.972 50 H VAL 7 HN VAL 7 -13.884 0.539 14.375 51 HA VAL 7 HA VAL 7 -13.808 -1.835 12.848 52 HB VAL 7 HB VAL 7 -15.782 -1.274 14.127 53 HG11 VAL 7 HG11 VAL 7 -15.456 1.245 13.803 54 HG12 VAL 7 HG12 VAL 7 -17.120 0.670 13.719 55 HG13 VAL 7 HG13 VAL 7 -16.245 1.047 12.238 56 HG21 VAL 7 HG21 VAL 7 -15.951 -2.479 11.845 57 HG22 VAL 7 HG22 VAL 7 -16.575 -0.950 11.229 58 HG23 VAL 7 HG23 VAL 7 -17.441 -1.803 12.504 59 H GLN 8 HN GLN 8 -14.283 1.564 11.917 60 HA GLN 8 HA GLN 8 -14.758 1.152 9.191 61 HB2 GLN 8 HB2 GLN 8 -14.899 3.325 10.613 62 HB3 GLN 8 HB1 GLN 8 -13.194 3.521 10.210 63 HG2 GLN 8 HG2 GLN 8 -15.418 3.145 8.178 64 HG3 GLN 8 HG1 GLN 8 -14.699 4.696 8.605 65 HE21 GLN 8 HE21 GLN 8 -14.579 2.564 6.165 66 HE22 GLN 8 HE22 GLN 8 -12.941 2.666 5.733 67 H GLU 9 HN GLU 9 -11.692 1.684 10.910 68 HA GLU 9 HA GLU 9 -10.059 1.565 8.585 69 HB2 GLU 9 HB2 GLU 9 -9.447 1.157 11.516 70 HB3 GLU 9 HB1 GLU 9 -8.213 1.170 10.255 71 HG2 GLU 9 HG2 GLU 9 -8.860 3.434 9.600 72 HG3 GLU 9 HG1 GLU 9 -10.169 3.425 10.779 73 H LEU 10 HN LEU 10 -11.231 -0.839 10.871 74 HA LEU 10 HA LEU 10 -9.569 -2.967 10.047 75 HB2 LEU 10 HB2 LEU 10 -10.809 -3.089 12.139 76 HB3 LEU 10 HB1 LEU 10 -12.339 -3.015 11.267 77 HG LEU 10 HG LEU 10 -11.872 -5.163 10.186 78 HD11 LEU 10 HD11 LEU 10 -9.555 -5.285 9.861 79 HD12 LEU 10 HD12 LEU 10 -9.796 -6.431 11.177 80 HD13 LEU 10 HD13 LEU 10 -9.192 -4.809 11.519 81 HD21 LEU 10 HD21 LEU 10 -12.812 -4.984 12.581 82 HD22 LEU 10 HD22 LEU 10 -11.223 -5.509 13.110 83 HD23 LEU 10 HD23 LEU 10 -12.194 -6.555 12.078 84 H LYS 11 HN LYS 11 -12.697 -1.802 8.899 85 HA LYS 11 HA LYS 11 -13.351 -3.924 7.202 86 HB2 LYS 11 HB2 LYS 11 -13.977 -0.977 7.097 87 HB3 LYS 11 HB1 LYS 11 -14.578 -2.092 5.871 88 HG2 LYS 11 HG2 LYS 11 -15.630 -3.461 7.648 89 HG3 LYS 11 HG1 LYS 11 -15.058 -2.312 8.856 90 HD2 LYS 11 HD2 LYS 11 -16.379 -0.531 7.881 91 HD3 LYS 11 HD1 LYS 11 -16.850 -1.566 6.531 92 HE2 LYS 11 HE2 LYS 11 -17.997 -3.089 8.099 93 HE3 LYS 11 HE1 LYS 11 -17.537 -2.051 9.443 94 HZ1 LYS 11 HZ1 LYS 11 -19.840 -1.764 8.354 95 HZ2 LYS 11 HZ2 LYS 11 -18.987 -0.921 7.149 96 HZ3 LYS 11 HZ3 LYS 11 -18.941 -0.384 8.760 97 H GLU 12 HN GLU 12 -11.188 -1.182 6.706 98 HA GLU 12 HA GLU 12 -10.830 -1.400 3.937 99 HB2 GLU 12 HB2 GLU 12 -9.979 0.442 5.429 100 HB3 GLU 12 HB1 GLU 12 -8.705 -0.656 5.955 101 HG2 GLU 12 HG2 GLU 12 -7.777 0.665 4.184 102 HG3 GLU 12 HG1 GLU 12 -8.081 -0.932 3.508 103 H ARG 13 HN ARG 13 -8.773 -2.768 6.529 104 HA ARG 13 HA ARG 13 -7.247 -4.367 4.720 105 HB2 ARG 13 HB2 ARG 13 -7.553 -4.423 7.726 106 HB3 ARG 13 HB1 ARG 13 -6.449 -5.477 6.841 107 HG2 ARG 13 HG2 ARG 13 -5.312 -3.515 5.889 108 HG3 ARG 13 HG1 ARG 13 -6.428 -2.446 6.738 109 HD2 ARG 13 HD2 ARG 13 -4.645 -4.458 8.129 110 HD3 ARG 13 HD1 ARG 13 -4.215 -2.765 7.904 111 HE ARG 13 HE ARG 13 -6.734 -2.804 9.102 112 HH11 ARG 13 HH21 ARG 13 -3.503 -3.850 9.762 113 HH12 ARG 13 HH22 ARG 13 -3.647 -3.669 11.479 114 HH21 ARG 13 HH11 ARG 13 -6.931 -2.562 11.353 115 HH22 ARG 13 HH12 ARG 13 -5.588 -2.940 12.379 116 H ALA 14 HN ALA 14 -10.031 -4.953 6.794 117 HA ALA 14 HA ALA 14 -10.118 -7.779 6.330 118 HB1 ALA 14 HB1 ALA 14 -12.501 -6.145 7.172 119 HB2 ALA 14 HB2 ALA 14 -11.156 -6.403 8.282 120 HB3 ALA 14 HB3 ALA 14 -12.052 -7.782 7.648 121 H LYS 15 HN LYS 15 -10.819 -5.136 4.382 122 HA LYS 15 HA LYS 15 -13.176 -5.818 3.062 123 HB2 LYS 15 HB2 LYS 15 -11.896 -3.715 2.679 124 HB3 LYS 15 HB1 LYS 15 -10.687 -4.641 1.795 125 HG2 LYS 15 HG2 LYS 15 -12.366 -5.328 0.162 126 HG3 LYS 15 HG1 LYS 15 -13.626 -4.495 1.076 127 HD2 LYS 15 HD2 LYS 15 -12.431 -2.355 0.750 128 HD3 LYS 15 HD1 LYS 15 -11.205 -3.195 -0.201 129 HE2 LYS 15 HE2 LYS 15 -14.150 -3.207 -0.870 130 HE3 LYS 15 HE1 LYS 15 -12.991 -2.086 -1.581 131 HZ1 LYS 15 HZ1 LYS 15 -11.757 -4.423 -1.956 132 HZ2 LYS 15 HZ2 LYS 15 -12.782 -3.703 -3.105 133 HZ3 LYS 15 HZ3 LYS 15 -13.376 -4.915 -2.075 134 H VAL 16 HN VAL 16 -9.842 -6.848 2.326 135 HA VAL 16 HA VAL 16 -9.041 -8.443 0.859 136 HB VAL 16 HB VAL 16 -9.783 -9.721 2.869 137 HG11 VAL 16 HG11 VAL 16 -12.333 -10.030 1.266 138 HG12 VAL 16 HG12 VAL 16 -12.139 -9.483 2.925 139 HG13 VAL 16 HG13 VAL 16 -11.869 -11.169 2.523 140 HG21 VAL 16 HG21 VAL 16 -9.304 -11.784 1.922 141 HG22 VAL 16 HG22 VAL 16 -8.774 -10.730 0.619 142 HG23 VAL 16 HG23 VAL 16 -10.347 -11.520 0.528 143 H PHE 17 HN PHE 17 -9.938 -10.341 -0.706 144 HA PHE 17 HA PHE 17 -11.391 -8.931 -2.763 145 HB2 PHE 17 HB2 PHE 17 -10.424 -11.798 -2.658 146 HB3 PHE 17 HB1 PHE 17 -11.005 -10.953 -4.093 147 HD1 PHE 17 HD2 PHE 17 -9.747 -8.998 -4.991 148 HD2 PHE 17 HD1 PHE 17 -8.211 -11.433 -1.806 149 HE1 PHE 17 HE2 PHE 17 -7.482 -8.066 -5.373 150 HE2 PHE 17 HE1 PHE 17 -5.943 -10.502 -2.187 151 HZ PHE 17 HZ PHE 17 -5.579 -8.818 -3.971 152 H ALA 18 HN ALA 18 -13.457 -9.371 -3.486 153 HA ALA 18 HA ALA 18 -15.650 -10.039 -3.378 154 HB1 ALA 18 HB1 ALA 18 -14.676 -12.523 -1.970 155 HB2 ALA 18 HB2 ALA 18 -14.492 -12.289 -3.708 156 HB3 ALA 18 HB3 ALA 18 -16.103 -12.334 -2.991 157 H LYS 19 HN LYS 19 -17.334 -9.631 -2.032 158 HA LYS 19 HA LYS 19 -16.697 -8.876 0.677 159 HB2 LYS 19 HB2 LYS 19 -19.460 -8.909 -0.518 160 HB3 LYS 19 HB1 LYS 19 -18.821 -7.852 0.741 161 HG2 LYS 19 HG2 LYS 19 -18.014 -7.859 -2.182 162 HG3 LYS 19 HG1 LYS 19 -18.939 -6.608 -1.348 163 HD2 LYS 19 HD2 LYS 19 -16.928 -6.403 0.238 164 HD3 LYS 19 HD1 LYS 19 -16.037 -7.355 -0.952 165 HE2 LYS 19 HE2 LYS 19 -15.717 -4.948 -1.349 166 HE3 LYS 19 HE1 LYS 19 -16.585 -5.695 -2.691 167 HZ1 LYS 19 HZ1 LYS 19 -18.356 -4.442 -2.300 168 HZ2 LYS 19 HZ2 LYS 19 -17.400 -3.529 -1.232 169 HZ3 LYS 19 HZ3 LYS 19 -18.355 -4.805 -0.643 170 HA PRO 20 HA PRO 20 -17.975 -12.680 2.566 171 HB2 PRO 20 HB2 PRO 20 -18.707 -11.791 5.054 172 HB3 PRO 20 HB1 PRO 20 -17.017 -11.924 4.530 173 HG2 PRO 20 HG2 PRO 20 -18.783 -9.513 4.625 174 HG3 PRO 20 HG1 PRO 20 -17.079 -9.682 5.098 175 HD2 PRO 20 HD2 PRO 20 -17.814 -8.590 2.713 176 HD3 PRO 20 HD1 PRO 20 -16.312 -9.524 2.900 177 H ILE 21 HN ILE 21 -19.796 -13.883 2.825 178 HA ILE 21 HA ILE 21 -22.349 -12.608 2.207 179 HB ILE 21 HB ILE 21 -23.152 -14.789 1.690 180 HG12 ILE 21 HG12 ILE 21 -22.280 -16.045 3.618 181 HG13 ILE 21 HG11 ILE 21 -21.828 -16.844 2.119 182 HG21 ILE 21 HG21 ILE 21 -20.267 -14.516 0.815 183 HG22 ILE 21 HG22 ILE 21 -21.684 -13.869 -0.010 184 HG23 ILE 21 HG23 ILE 21 -21.438 -15.613 0.084 185 HD11 ILE 21 HD11 ILE 21 -19.600 -15.550 2.301 186 HD12 ILE 21 HD12 ILE 21 -19.857 -16.878 3.419 187 HD13 ILE 21 HD13 ILE 21 -20.073 -15.221 3.963 188 H GLY 22 HN GLY 22 -24.157 -12.696 3.527 189 HA2 GLY 22 HA2 GLY 22 -25.409 -13.139 5.444 190 HA3 GLY 22 HA1 GLY 22 -24.078 -14.113 6.058 191 H ALA 23 HN ALA 23 -25.754 -11.929 7.264 192 HA ALA 23 HA ALA 23 -23.953 -9.720 7.706 193 HB1 ALA 23 HB1 ALA 23 -26.585 -10.518 8.954 194 HB2 ALA 23 HB2 ALA 23 -26.291 -9.233 7.781 195 HB3 ALA 23 HB3 ALA 23 -25.686 -9.077 9.431 196 H SER 24 HN SER 24 -23.629 -12.764 8.625 197 HA SER 24 HA SER 24 -23.221 -12.521 11.461 198 HB2 SER 24 HB2 SER 24 -22.321 -14.775 11.314 199 HB3 SER 24 HB1 SER 24 -23.795 -14.670 10.356 200 HG SER 24 HG SER 24 -22.636 -15.209 8.700 201 H TYR 25 HN TYR 25 -21.429 -11.654 8.707 202 HA TYR 25 HA TYR 25 -18.787 -12.041 9.701 203 HB2 TYR 25 HB2 TYR 25 -19.350 -11.709 7.296 204 HB3 TYR 25 HB1 TYR 25 -19.740 -10.027 7.654 205 HD1 TYR 25 HD1 TYR 25 -17.018 -12.557 7.696 206 HD2 TYR 25 HD2 TYR 25 -18.021 -8.389 7.965 207 HE1 TYR 25 HE1 TYR 25 -14.616 -11.969 7.526 208 HE2 TYR 25 HE2 TYR 25 -15.617 -7.801 7.794 209 HH TYR 25 HH TYR 25 -13.305 -9.830 6.702 210 H GLN 26 HN GLN 26 -21.147 -9.444 9.943 211 HA GLN 26 HA GLN 26 -19.444 -7.427 10.940 212 HB2 GLN 26 HB2 GLN 26 -22.402 -7.937 11.263 213 HB3 GLN 26 HB1 GLN 26 -21.604 -6.522 11.954 214 HG2 GLN 26 HG2 GLN 26 -20.829 -5.832 9.757 215 HG3 GLN 26 HG1 GLN 26 -21.503 -7.288 9.027 216 HE21 GLN 26 HE21 GLN 26 -22.596 -5.247 7.796 217 HE22 GLN 26 HE22 GLN 26 -24.110 -4.796 8.416 218 H GLY 27 HN GLY 27 -20.573 -10.329 12.357 219 HA2 GLY 27 HA2 GLY 27 -20.821 -9.750 15.049 220 HA3 GLY 27 HA1 GLY 27 -20.158 -11.259 14.428 221 H ILE 28 HN ILE 28 -17.872 -10.176 13.134 222 HA ILE 28 HA ILE 28 -16.086 -10.005 15.360 223 HB ILE 28 HB ILE 28 -15.626 -9.609 12.398 224 HG12 ILE 28 HG12 ILE 28 -14.894 -11.909 14.233 225 HG13 ILE 28 HG11 ILE 28 -16.357 -11.879 13.246 226 HG21 ILE 28 HG21 ILE 28 -13.719 -9.697 14.751 227 HG22 ILE 28 HG22 ILE 28 -13.863 -8.436 13.528 228 HG23 ILE 28 HG23 ILE 28 -13.198 -10.009 13.096 229 HD11 ILE 28 HD11 ILE 28 -15.017 -11.671 11.211 230 HD12 ILE 28 HD12 ILE 28 -14.494 -13.087 12.125 231 HD13 ILE 28 HD13 ILE 28 -13.538 -11.605 12.170 232 H LEU 29 HN LEU 29 -17.760 -7.688 13.401 233 HA LEU 29 HA LEU 29 -16.040 -5.469 14.257 234 HB2 LEU 29 HB2 LEU 29 -18.564 -5.373 12.593 235 HB3 LEU 29 HB1 LEU 29 -17.337 -4.120 12.749 236 HG LEU 29 HG LEU 29 -16.922 -6.858 11.545 237 HD11 LEU 29 HD11 LEU 29 -16.744 -5.728 9.427 238 HD12 LEU 29 HD12 LEU 29 -16.839 -4.151 10.208 239 HD13 LEU 29 HD13 LEU 29 -18.249 -5.209 10.185 240 HD21 LEU 29 HD21 LEU 29 -14.706 -5.663 10.827 241 HD22 LEU 29 HD22 LEU 29 -14.832 -6.319 12.456 242 HD23 LEU 29 HD23 LEU 29 -15.053 -4.592 12.184 243 H ASP 30 HN ASP 30 -19.155 -6.897 14.933 244 HA ASP 30 HA ASP 30 -20.340 -4.734 16.299 245 HB2 ASP 30 HB2 ASP 30 -20.691 -7.721 16.546 246 HB3 ASP 30 HB1 ASP 30 -21.656 -6.566 17.464 247 H GLN 31 HN GLN 31 -18.080 -7.232 17.347 248 HA GLN 31 HA GLN 31 -18.264 -6.793 20.124 249 HB2 GLN 31 HB2 GLN 31 -17.130 -8.736 18.901 250 HB3 GLN 31 HB1 GLN 31 -15.754 -7.655 18.687 251 HG2 GLN 31 HG2 GLN 31 -15.350 -8.917 20.685 252 HG3 GLN 31 HG1 GLN 31 -15.784 -7.286 21.191 253 HE21 GLN 31 HE21 GLN 31 -17.315 -7.250 22.829 254 HE22 GLN 31 HE22 GLN 31 -18.481 -8.451 23.102 255 H LEU 32 HN LEU 32 -16.448 -5.165 17.595 256 HA LEU 32 HA LEU 32 -14.626 -3.763 19.237 257 HB2 LEU 32 HB2 LEU 32 -15.738 -3.316 16.483 258 HB3 LEU 32 HB1 LEU 32 -14.735 -2.079 17.223 259 HG LEU 32 HG LEU 32 -13.465 -3.727 15.797 260 HD11 LEU 32 HD11 LEU 32 -12.426 -4.208 18.555 261 HD12 LEU 32 HD12 LEU 32 -12.638 -2.525 18.081 262 HD13 LEU 32 HD13 LEU 32 -11.605 -3.582 17.128 263 HD21 LEU 32 HD21 LEU 32 -14.985 -5.646 16.596 264 HD22 LEU 32 HD22 LEU 32 -13.962 -5.704 18.029 265 HD23 LEU 32 HD23 LEU 32 -13.267 -6.001 16.436 266 H ASP 33 HN ASP 33 -17.937 -3.057 18.207 267 HA ASP 33 HA ASP 33 -18.036 -0.426 19.227 268 HB2 ASP 33 HB2 ASP 33 -19.718 -1.308 17.684 269 HB3 ASP 33 HB1 ASP 33 -20.254 -2.458 18.908 270 H LEU 34 HN LEU 34 -18.806 -3.582 20.667 271 HA LEU 34 HA LEU 34 -19.671 -2.532 23.176 272 HB2 LEU 34 HB2 LEU 34 -18.964 -5.245 22.105 273 HB3 LEU 34 HB1 LEU 34 -19.075 -5.041 23.855 274 HG LEU 34 HG LEU 34 -21.352 -4.113 23.600 275 HD11 LEU 34 HD11 LEU 34 -20.796 -4.654 20.677 276 HD12 LEU 34 HD12 LEU 34 -21.237 -3.118 21.420 277 HD13 LEU 34 HD13 LEU 34 -22.422 -4.420 21.314 278 HD21 LEU 34 HD21 LEU 34 -20.893 -6.596 23.849 279 HD22 LEU 34 HD22 LEU 34 -21.092 -6.733 22.103 280 HD23 LEU 34 HD23 LEU 34 -22.442 -6.202 23.105 281 H VAL 35 HN VAL 35 -16.606 -4.042 22.144 282 HA VAL 35 HA VAL 35 -15.311 -3.880 24.622 283 HB VAL 35 HB VAL 35 -14.619 -5.066 22.371 284 HG11 VAL 35 HG11 VAL 35 -12.822 -2.652 22.177 285 HG12 VAL 35 HG12 VAL 35 -14.332 -2.732 21.294 286 HG13 VAL 35 HG13 VAL 35 -13.083 -3.931 20.995 287 HG21 VAL 35 HG21 VAL 35 -12.279 -5.183 23.199 288 HG22 VAL 35 HG22 VAL 35 -13.443 -5.346 24.514 289 HG23 VAL 35 HG23 VAL 35 -12.602 -3.817 24.265 290 H HIS 36 HN HIS 36 -15.957 -1.477 22.220 291 HA HIS 36 HA HIS 36 -14.002 0.418 23.190 292 HB2 HIS 36 HB2 HIS 36 -14.758 0.360 20.822 293 HB3 HIS 36 HB1 HIS 36 -16.366 0.859 21.352 294 HD2 HIS 36 HD2 HIS 36 -12.870 2.432 20.694 295 HE1 HIS 36 HE1 HIS 36 -15.345 5.477 22.250 296 HE2 HIS 36 HE2 HIS 36 -13.100 4.989 21.169 297 H GLN 37 HN GLN 37 -17.535 0.057 23.385 298 HA GLN 37 HA GLN 37 -17.766 2.351 25.164 299 HB2 GLN 37 HB2 GLN 37 -19.793 0.360 24.124 300 HB3 GLN 37 HB1 GLN 37 -20.189 1.722 25.173 301 HG2 GLN 37 HG2 GLN 37 -19.306 3.292 23.511 302 HG3 GLN 37 HG1 GLN 37 -18.836 1.949 22.469 303 HE21 GLN 37 HE21 GLN 37 -21.250 4.214 22.871 304 HE22 GLN 37 HE22 GLN 37 -22.531 3.379 22.133 305 H ALA 38 HN ALA 38 -17.172 -0.988 25.441 306 HA ALA 38 HA ALA 38 -18.422 -1.416 27.997 307 HB1 ALA 38 HB1 ALA 38 -18.057 -3.348 26.638 308 HB2 ALA 38 HB2 ALA 38 -16.958 -3.480 28.011 309 HB3 ALA 38 HB3 ALA 38 -16.348 -2.960 26.448 310 H LYS 39 HN LYS 39 -17.191 -1.970 29.954 311 HA LYS 39 HA LYS 39 -14.487 -1.047 30.203 312 HB2 LYS 39 HB2 LYS 39 -16.482 0.913 30.459 313 HB3 LYS 39 HB1 LYS 39 -16.064 0.522 32.121 314 HG2 LYS 39 HG2 LYS 39 -14.020 1.221 29.983 315 HG3 LYS 39 HG1 LYS 39 -14.680 2.376 31.138 316 HD2 LYS 39 HD2 LYS 39 -13.852 0.975 33.001 317 HD3 LYS 39 HD1 LYS 39 -13.152 -0.148 31.838 318 HE2 LYS 39 HE2 LYS 39 -11.405 1.355 32.570 319 HE3 LYS 39 HE1 LYS 39 -11.811 1.757 30.900 320 HZ1 LYS 39 HZ1 LYS 39 -11.676 3.587 32.766 321 HZ2 LYS 39 HZ2 LYS 39 -13.286 3.111 33.030 322 HZ3 LYS 39 HZ3 LYS 39 -12.806 3.688 31.505 323 H GLY 40 HN GLY 40 -13.495 -1.879 31.990 324 HA2 GLY 40 HA2 GLY 40 -13.200 -3.078 33.937 325 HA3 GLY 40 HA1 GLY 40 -14.889 -2.763 34.320 326 H ARG 41 HN ARG 41 -15.964 -4.590 34.620 327 HA ARG 41 HA ARG 41 -15.115 -7.135 33.794 328 HB2 ARG 41 HB2 ARG 41 -17.431 -7.849 34.398 329 HB3 ARG 41 HB1 ARG 41 -16.642 -6.890 35.650 330 HG2 ARG 41 HG2 ARG 41 -17.832 -4.881 34.904 331 HG3 ARG 41 HG1 ARG 41 -18.574 -5.785 33.588 332 HD2 ARG 41 HD2 ARG 41 -19.727 -7.226 35.157 333 HD3 ARG 41 HD1 ARG 41 -18.934 -6.430 36.514 334 HE ARG 41 HE ARG 41 -20.237 -4.430 35.092 335 HH11 ARG 41 HH21 ARG 41 -21.029 -7.367 36.741 336 HH12 ARG 41 HH22 ARG 41 -22.611 -6.839 37.208 337 HH21 ARG 41 HH11 ARG 41 -22.309 -3.732 35.700 338 HH22 ARG 41 HH12 ARG 41 -23.336 -4.781 36.618 339 H ASP 42 HN ASP 42 -17.319 -4.822 32.307 340 HA ASP 42 HA ASP 42 -18.357 -6.532 30.312 341 HB2 ASP 42 HB2 ASP 42 -18.066 -3.542 30.524 342 HB3 ASP 42 HB1 ASP 42 -18.815 -4.314 29.128 343 H GLN 43 HN GLN 43 -15.459 -4.528 30.484 344 HA GLN 43 HA GLN 43 -14.747 -4.732 27.743 345 HB2 GLN 43 HB2 GLN 43 -13.839 -3.155 29.624 346 HB3 GLN 43 HB1 GLN 43 -12.697 -4.456 29.930 347 HG2 GLN 43 HG2 GLN 43 -13.138 -3.091 27.256 348 HG3 GLN 43 HG1 GLN 43 -11.769 -2.818 28.332 349 HE21 GLN 43 HE21 GLN 43 -11.134 -5.430 29.130 350 HE22 GLN 43 HE22 GLN 43 -10.675 -6.342 27.774 351 H ILE 44 HN ILE 44 -13.984 -6.670 30.595 352 HA ILE 44 HA ILE 44 -12.075 -8.370 29.384 353 HB ILE 44 HB ILE 44 -13.911 -8.802 31.751 354 HG12 ILE 44 HG12 ILE 44 -10.930 -8.261 31.644 355 HG13 ILE 44 HG11 ILE 44 -12.135 -6.980 31.826 356 HG21 ILE 44 HG21 ILE 44 -12.171 -10.610 32.291 357 HG22 ILE 44 HG22 ILE 44 -11.669 -10.482 30.606 358 HG23 ILE 44 HG23 ILE 44 -13.312 -10.989 31.001 359 HD11 ILE 44 HD11 ILE 44 -11.355 -7.629 34.036 360 HD12 ILE 44 HD12 ILE 44 -11.688 -9.327 33.695 361 HD13 ILE 44 HD13 ILE 44 -13.018 -8.180 33.843 362 H ALA 45 HN ALA 45 -15.591 -8.629 29.772 363 HA ALA 45 HA ALA 45 -15.992 -11.210 28.847 364 HB1 ALA 45 HB1 ALA 45 -17.751 -9.677 29.759 365 HB2 ALA 45 HB2 ALA 45 -18.241 -10.520 28.290 366 HB3 ALA 45 HB3 ALA 45 -17.749 -8.828 28.213 367 H ALA 46 HN ALA 46 -15.859 -8.209 26.918 368 HA ALA 46 HA ALA 46 -16.182 -9.451 24.396 369 HB1 ALA 46 HB1 ALA 46 -15.028 -7.276 23.609 370 HB2 ALA 46 HB2 ALA 46 -15.061 -6.813 25.311 371 HB3 ALA 46 HB3 ALA 46 -16.567 -7.131 24.456 372 H SER 47 HN SER 47 -13.341 -8.617 26.333 373 HA SER 47 HA SER 47 -11.403 -9.273 24.406 374 HB2 SER 47 HB2 SER 47 -11.224 -9.392 27.420 375 HB3 SER 47 HB1 SER 47 -9.850 -9.469 26.321 376 HG SER 47 HG SER 47 -10.012 -7.358 26.773 377 H PHE 48 HN PHE 48 -12.864 -11.219 26.993 378 HA PHE 48 HA PHE 48 -11.380 -13.574 26.530 379 HB2 PHE 48 HB2 PHE 48 -12.655 -13.224 28.585 380 HB3 PHE 48 HB1 PHE 48 -14.164 -13.233 27.670 381 HD1 PHE 48 HD1 PHE 48 -11.147 -15.314 28.417 382 HD2 PHE 48 HD2 PHE 48 -15.270 -15.269 27.215 383 HE1 PHE 48 HE1 PHE 48 -11.218 -17.788 28.568 384 HE2 PHE 48 HE2 PHE 48 -15.341 -17.744 27.367 385 HZ PHE 48 HZ PHE 48 -13.314 -19.003 28.043 386 H GLU 49 HN GLU 49 -14.576 -12.544 25.355 387 HA GLU 49 HA GLU 49 -15.057 -14.885 23.816 388 HB2 GLU 49 HB2 GLU 49 -16.896 -13.431 24.473 389 HB3 GLU 49 HB1 GLU 49 -16.196 -12.092 23.564 390 HG2 GLU 49 HG2 GLU 49 -16.521 -13.262 21.457 391 HG3 GLU 49 HG1 GLU 49 -17.035 -14.724 22.309 392 H LEU 50 HN LEU 50 -13.816 -11.663 22.987 393 HA LEU 50 HA LEU 50 -13.581 -12.084 20.229 394 HB2 LEU 50 HB2 LEU 50 -13.353 -9.869 21.364 395 HB3 LEU 50 HB1 LEU 50 -11.784 -10.378 21.971 396 HG LEU 50 HG LEU 50 -11.023 -10.724 19.619 397 HD11 LEU 50 HD11 LEU 50 -12.561 -9.388 17.927 398 HD12 LEU 50 HD12 LEU 50 -13.833 -9.823 19.065 399 HD13 LEU 50 HD13 LEU 50 -12.889 -11.083 18.274 400 HD21 LEU 50 HD21 LEU 50 -10.465 -8.643 20.719 401 HD22 LEU 50 HD22 LEU 50 -12.061 -7.979 20.374 402 HD23 LEU 50 HD23 LEU 50 -10.924 -8.269 19.058 403 H ASN 51 HN ASN 51 -11.319 -12.758 22.882 404 HA ASN 51 HA ASN 51 -9.070 -13.425 21.388 405 HB2 ASN 51 HB2 ASN 51 -9.041 -13.243 23.831 406 HB3 ASN 51 HB1 ASN 51 -10.067 -14.669 23.963 407 HD21 ASN 51 HD21 ASN 51 -7.573 -14.726 25.233 408 HD22 ASN 51 HD22 ASN 51 -6.533 -15.780 24.402 409 H LYS 52 HN LYS 52 -11.631 -15.617 22.570 410 HA LYS 52 HA LYS 52 -10.630 -17.865 21.139 411 HB2 LYS 52 HB2 LYS 52 -12.670 -17.366 23.050 412 HB3 LYS 52 HB1 LYS 52 -13.490 -18.065 21.668 413 HG2 LYS 52 HG2 LYS 52 -12.845 -19.942 22.956 414 HG3 LYS 52 HG1 LYS 52 -11.635 -19.865 21.684 415 HD2 LYS 52 HD2 LYS 52 -10.296 -20.119 23.588 416 HD3 LYS 52 HD1 LYS 52 -10.300 -18.371 23.388 417 HE2 LYS 52 HE2 LYS 52 -11.999 -18.106 25.088 418 HE3 LYS 52 HE1 LYS 52 -12.246 -19.849 25.185 419 HZ1 LYS 52 HZ1 LYS 52 -9.949 -20.081 25.933 420 HZ2 LYS 52 HZ2 LYS 52 -10.848 -19.092 26.982 421 HZ3 LYS 52 HZ3 LYS 52 -9.753 -18.397 25.884 422 H LYS 53 HN LYS 53 -12.995 -15.373 20.445 423 HA LYS 53 HA LYS 53 -14.147 -16.528 18.161 424 HB2 LYS 53 HB2 LYS 53 -14.847 -14.413 19.461 425 HB3 LYS 53 HB1 LYS 53 -13.685 -13.566 18.447 426 HG2 LYS 53 HG2 LYS 53 -14.871 -14.163 16.449 427 HG3 LYS 53 HG1 LYS 53 -15.897 -15.303 17.322 428 HD2 LYS 53 HD2 LYS 53 -17.167 -13.264 16.961 429 HD3 LYS 53 HD1 LYS 53 -16.782 -13.393 18.679 430 HE2 LYS 53 HE2 LYS 53 -15.131 -11.735 18.565 431 HE3 LYS 53 HE1 LYS 53 -15.005 -11.842 16.805 432 HZ1 LYS 53 HZ1 LYS 53 -17.395 -11.088 16.776 433 HZ2 LYS 53 HZ2 LYS 53 -16.256 -9.920 17.251 434 HZ3 LYS 53 HZ3 LYS 53 -17.211 -10.703 18.418 435 H ILE 54 HN ILE 54 -11.324 -14.387 18.482 436 HA ILE 54 HA ILE 54 -10.762 -14.296 15.696 437 HB ILE 54 HB ILE 54 -9.047 -13.796 18.132 438 HG12 ILE 54 HG12 ILE 54 -10.200 -11.880 16.080 439 HG13 ILE 54 HG11 ILE 54 -10.982 -12.259 17.615 440 HG21 ILE 54 HG21 ILE 54 -7.433 -14.331 16.515 441 HG22 ILE 54 HG22 ILE 54 -7.592 -12.585 16.325 442 HG23 ILE 54 HG23 ILE 54 -8.393 -13.674 15.197 443 HD11 ILE 54 HD11 ILE 54 -9.645 -10.198 17.814 444 HD12 ILE 54 HD12 ILE 54 -8.209 -11.077 17.291 445 HD13 ILE 54 HD13 ILE 54 -8.973 -11.476 18.827 446 H ASN 55 HN ASN 55 -9.536 -16.297 18.360 447 HA ASN 55 HA ASN 55 -7.637 -17.740 16.859 448 HB2 ASN 55 HB2 ASN 55 -7.658 -17.742 19.309 449 HB3 ASN 55 HB1 ASN 55 -9.196 -18.603 19.306 450 HD21 ASN 55 HD21 ASN 55 -8.259 -20.494 20.366 451 HD22 ASN 55 HD22 ASN 55 -7.202 -21.533 19.538 452 H ASP 56 HN ASP 56 -11.062 -18.315 17.517 453 HA ASP 56 HA ASP 56 -11.246 -20.876 16.348 454 HB2 ASP 56 HB2 ASP 56 -13.277 -18.680 16.766 455 HB3 ASP 56 HB1 ASP 56 -13.698 -20.252 16.091 456 H TYR 57 HN TYR 57 -11.622 -17.620 14.993 457 HA TYR 57 HA TYR 57 -12.534 -18.346 12.440 458 HB2 TYR 57 HB2 TYR 57 -12.495 -16.023 13.331 459 HB3 TYR 57 HB1 TYR 57 -10.740 -16.014 13.153 460 HD1 TYR 57 HD1 TYR 57 -13.963 -16.091 11.365 461 HD2 TYR 57 HD2 TYR 57 -9.690 -15.911 10.958 462 HE1 TYR 57 HE1 TYR 57 -14.217 -15.469 8.978 463 HE2 TYR 57 HE2 TYR 57 -9.947 -15.288 8.571 464 HH TYR 57 HH TYR 57 -12.495 -14.068 7.253 465 H ILE 58 HN ILE 58 -9.223 -17.870 13.653 466 HA ILE 58 HA ILE 58 -7.891 -18.401 11.218 467 HB ILE 58 HB ILE 58 -6.999 -18.687 14.097 468 HG12 ILE 58 HG12 ILE 58 -6.170 -16.633 12.036 469 HG13 ILE 58 HG11 ILE 58 -7.595 -16.393 13.055 470 HG21 ILE 58 HG21 ILE 58 -4.673 -18.597 12.980 471 HG22 ILE 58 HG22 ILE 58 -5.505 -19.053 11.493 472 HG23 ILE 58 HG23 ILE 58 -5.544 -20.128 12.889 473 HD11 ILE 58 HD11 ILE 58 -5.591 -15.342 14.054 474 HD12 ILE 58 HD12 ILE 58 -4.773 -16.905 14.056 475 HD13 ILE 58 HD13 ILE 58 -6.194 -16.651 15.070 476 H ALA 59 HN ALA 59 -8.851 -20.501 13.911 477 HA ALA 59 HA ALA 59 -7.628 -22.868 13.039 478 HB1 ALA 59 HB1 ALA 59 -8.741 -22.447 15.278 479 HB2 ALA 59 HB2 ALA 59 -9.092 -24.011 14.542 480 HB3 ALA 59 HB3 ALA 59 -10.284 -22.714 14.469 481 H GLU 60 HN GLU 60 -10.666 -21.349 12.117 482 HA GLU 60 HA GLU 60 -11.674 -23.578 10.634 483 HB2 GLU 60 HB2 GLU 60 -12.350 -20.634 10.619 484 HB3 GLU 60 HB1 GLU 60 -13.193 -21.824 9.625 485 HG2 GLU 60 HG2 GLU 60 -13.862 -23.071 11.603 486 HG3 GLU 60 HG1 GLU 60 -12.923 -22.000 12.638 487 H HIS 61 HN HIS 61 -9.784 -20.697 9.814 488 HA HIS 61 HA HIS 61 -9.129 -21.923 7.199 489 HB2 HIS 61 HB2 HIS 61 -9.808 -19.008 7.657 490 HB3 HIS 61 HB1 HIS 61 -9.289 -19.726 6.131 491 HD2 HIS 61 HD2 HIS 61 -12.551 -18.754 7.563 492 HE1 HIS 61 HE1 HIS 61 -13.430 -22.321 5.483 493 HE2 HIS 61 HE2 HIS 61 -14.441 -20.272 6.592 494 HA PRO 62 HA PRO 62 -5.394 -20.415 9.548 495 HB2 PRO 62 HB2 PRO 62 -4.093 -22.804 9.772 496 HB3 PRO 62 HB1 PRO 62 -5.315 -22.262 10.937 497 HG2 PRO 62 HG2 PRO 62 -5.558 -24.237 8.724 498 HG3 PRO 62 HG1 PRO 62 -6.305 -24.243 10.331 499 HD2 PRO 62 HD2 PRO 62 -7.607 -23.466 7.989 500 HD3 PRO 62 HD1 PRO 62 -8.114 -22.991 9.622 501 H THR 63 HN THR 63 -6.049 -22.044 6.625 502 HA THR 63 HA THR 63 -3.315 -21.849 5.591 503 HB THR 63 HB THR 63 -4.227 -23.780 4.712 504 HG1 THR 63 HG1 THR 63 -3.985 -21.893 3.059 505 HG21 THR 63 HG21 THR 63 -6.378 -23.736 5.720 506 HG22 THR 63 HG22 THR 63 -6.684 -23.854 3.987 507 HG23 THR 63 HG23 THR 63 -6.861 -22.304 4.811 508 H SER 64 HN SER 64 -6.014 -19.867 5.878 509 HA SER 64 HA SER 64 -6.162 -18.508 3.450 510 HB2 SER 64 HB2 SER 64 -6.954 -16.574 4.818 511 HB3 SER 64 HB1 SER 64 -7.758 -18.087 5.223 512 HG SER 64 HG SER 64 -5.971 -18.253 6.851 513 H GLY 65 HN GLY 65 -5.086 -16.319 5.837 514 HA2 GLY 65 HA2 GLY 65 -2.432 -16.061 5.813 515 HA3 GLY 65 HA1 GLY 65 -2.813 -15.546 4.173 516 H ARG 66 HN ARG 66 -5.191 -14.191 4.570 517 HA ARG 66 HA ARG 66 -4.246 -11.677 5.501 518 HB2 ARG 66 HB2 ARG 66 -6.089 -12.198 3.739 519 HB3 ARG 66 HB1 ARG 66 -7.165 -12.329 5.127 520 HG2 ARG 66 HG2 ARG 66 -7.396 -10.064 4.655 521 HG3 ARG 66 HG1 ARG 66 -6.057 -9.998 5.798 522 HD2 ARG 66 HD2 ARG 66 -4.468 -10.066 3.858 523 HD3 ARG 66 HD1 ARG 66 -5.849 -9.988 2.772 524 HE ARG 66 HE ARG 66 -4.809 -7.821 4.435 525 HH11 ARG 66 HH21 ARG 66 -7.354 -9.067 2.442 526 HH12 ARG 66 HH22 ARG 66 -8.023 -7.510 2.089 527 HH21 ARG 66 HH11 ARG 66 -5.686 -5.785 3.984 528 HH22 ARG 66 HH12 ARG 66 -7.079 -5.651 2.965 529 H ASN 67 HN ASN 67 -5.632 -14.354 7.083 530 HA ASN 67 HA ASN 67 -7.028 -13.104 9.190 531 HB2 ASN 67 HB2 ASN 67 -5.493 -15.703 9.327 532 HB3 ASN 67 HB1 ASN 67 -6.847 -15.208 10.340 533 HD21 ASN 67 HD21 ASN 67 -7.558 -14.029 7.308 534 HD22 ASN 67 HD22 ASN 67 -8.476 -15.330 6.719 535 H GLN 68 HN GLN 68 -3.648 -13.475 8.544 536 HA GLN 68 HA GLN 68 -2.468 -13.372 11.028 537 HB2 GLN 68 HB2 GLN 68 -1.208 -13.491 8.913 538 HB3 GLN 68 HB1 GLN 68 -1.619 -11.809 8.579 539 HG2 GLN 68 HG2 GLN 68 -0.422 -11.061 10.547 540 HG3 GLN 68 HG1 GLN 68 -0.144 -12.723 11.062 541 HE21 GLN 68 HE21 GLN 68 2.044 -10.937 10.621 542 HE22 GLN 68 HE22 GLN 68 2.909 -11.477 9.264 543 H ALA 69 HN ALA 69 -4.398 -10.956 9.479 544 HA ALA 69 HA ALA 69 -3.479 -8.773 11.166 545 HB1 ALA 69 HB1 ALA 69 -4.325 -8.486 8.795 546 HB2 ALA 69 HB2 ALA 69 -5.077 -7.430 9.990 547 HB3 ALA 69 HB3 ALA 69 -5.938 -8.854 9.404 548 H LEU 70 HN LEU 70 -5.956 -11.213 11.203 549 HA LEU 70 HA LEU 70 -7.708 -9.933 13.046 550 HB2 LEU 70 HB2 LEU 70 -7.315 -12.831 12.304 551 HB3 LEU 70 HB1 LEU 70 -8.576 -12.272 13.395 552 HG LEU 70 HG LEU 70 -8.207 -11.220 10.582 553 HD11 LEU 70 HD11 LEU 70 -10.037 -12.676 9.925 554 HD12 LEU 70 HD12 LEU 70 -10.216 -13.260 11.581 555 HD13 LEU 70 HD13 LEU 70 -8.767 -13.656 10.657 556 HD21 LEU 70 HD21 LEU 70 -10.193 -10.747 12.800 557 HD22 LEU 70 HD22 LEU 70 -10.762 -10.683 11.133 558 HD23 LEU 70 HD23 LEU 70 -9.488 -9.596 11.667 559 H THR 71 HN THR 71 -5.001 -12.175 13.420 560 HA THR 71 HA THR 71 -5.272 -12.636 16.188 561 HB THR 71 HB THR 71 -3.839 -14.087 14.977 562 HG1 THR 71 HG1 THR 71 -1.772 -12.689 16.086 563 HG21 THR 71 HG21 THR 71 -2.407 -11.563 14.121 564 HG22 THR 71 HG22 THR 71 -3.302 -12.683 13.093 565 HG23 THR 71 HG23 THR 71 -1.785 -13.188 13.833 566 H GLN 72 HN GLN 72 -4.177 -9.886 14.435 567 HA GLN 72 HA GLN 72 -2.437 -8.734 16.336 568 HB2 GLN 72 HB2 GLN 72 -4.233 -7.432 14.288 569 HB3 GLN 72 HB1 GLN 72 -2.964 -6.601 15.175 570 HG2 GLN 72 HG2 GLN 72 -2.444 -9.071 13.511 571 HG3 GLN 72 HG1 GLN 72 -2.308 -7.439 12.860 572 HE21 GLN 72 HE21 GLN 72 -0.422 -6.238 13.374 573 HE22 GLN 72 HE22 GLN 72 0.815 -6.825 14.376 574 H LEU 73 HN LEU 73 -5.947 -8.600 15.939 575 HA LEU 73 HA LEU 73 -6.467 -6.611 17.878 576 HB2 LEU 73 HB2 LEU 73 -8.083 -8.834 16.655 577 HB3 LEU 73 HB1 LEU 73 -8.764 -7.864 17.959 578 HG LEU 73 HG LEU 73 -7.491 -6.464 15.610 579 HD11 LEU 73 HD11 LEU 73 -9.029 -8.136 14.627 580 HD12 LEU 73 HD12 LEU 73 -9.634 -6.497 14.426 581 HD13 LEU 73 HD13 LEU 73 -10.327 -7.542 15.663 582 HD21 LEU 73 HD21 LEU 73 -8.219 -5.126 17.539 583 HD22 LEU 73 HD22 LEU 73 -9.826 -5.845 17.455 584 HD23 LEU 73 HD23 LEU 73 -9.261 -4.799 16.157 585 H LYS 74 HN LYS 74 -6.200 -10.139 18.093 586 HA LYS 74 HA LYS 74 -7.034 -10.458 20.749 587 HB2 LYS 74 HB2 LYS 74 -6.557 -12.310 19.145 588 HB3 LYS 74 HB1 LYS 74 -4.834 -11.993 19.340 589 HG2 LYS 74 HG2 LYS 74 -5.180 -12.342 21.848 590 HG3 LYS 74 HG1 LYS 74 -6.787 -12.939 21.453 591 HD2 LYS 74 HD2 LYS 74 -4.227 -14.056 20.278 592 HD3 LYS 74 HD1 LYS 74 -5.056 -14.749 21.670 593 HE2 LYS 74 HE2 LYS 74 -7.140 -14.862 20.168 594 HE3 LYS 74 HE1 LYS 74 -6.041 -14.553 18.822 595 HZ1 LYS 74 HZ1 LYS 74 -6.116 -16.852 18.964 596 HZ2 LYS 74 HZ2 LYS 74 -6.096 -16.859 20.663 597 HZ3 LYS 74 HZ3 LYS 74 -4.689 -16.466 19.795 598 H GLU 75 HN GLU 75 -3.754 -9.907 19.463 599 HA GLU 75 HA GLU 75 -2.503 -9.792 22.012 600 HB2 GLU 75 HB2 GLU 75 -1.644 -8.734 19.310 601 HB3 GLU 75 HB1 GLU 75 -0.618 -8.731 20.745 602 HG2 GLU 75 HG2 GLU 75 -0.792 -11.164 20.917 603 HG3 GLU 75 HG1 GLU 75 -1.892 -11.203 19.540 604 H GLN 76 HN GLN 76 -4.004 -7.391 19.926 605 HA GLN 76 HA GLN 76 -3.041 -5.078 21.230 606 HB2 GLN 76 HB2 GLN 76 -4.190 -5.149 18.994 607 HB3 GLN 76 HB1 GLN 76 -5.712 -5.406 19.845 608 HG2 GLN 76 HG2 GLN 76 -5.505 -3.041 19.388 609 HG3 GLN 76 HG1 GLN 76 -5.277 -3.279 21.120 610 HE21 GLN 76 HE21 GLN 76 -3.823 -1.546 21.550 611 HE22 GLN 76 HE22 GLN 76 -2.294 -1.417 20.823 612 H VAL 77 HN VAL 77 -6.189 -6.748 21.570 613 HA VAL 77 HA VAL 77 -7.110 -5.183 23.726 614 HB VAL 77 HB VAL 77 -7.798 -8.019 22.919 615 HG11 VAL 77 HG11 VAL 77 -9.002 -6.140 24.959 616 HG12 VAL 77 HG12 VAL 77 -8.496 -7.815 25.183 617 HG13 VAL 77 HG13 VAL 77 -9.936 -7.450 24.231 618 HG21 VAL 77 HG21 VAL 77 -8.371 -6.476 21.173 619 HG22 VAL 77 HG22 VAL 77 -8.987 -5.295 22.329 620 HG23 VAL 77 HG23 VAL 77 -9.865 -6.800 22.053 621 H THR 78 HN THR 78 -5.446 -8.326 23.665 622 HA THR 78 HA THR 78 -5.409 -8.764 26.444 623 HB THR 78 HB THR 78 -3.464 -9.677 24.311 624 HG1 THR 78 HG1 THR 78 -4.958 -11.070 23.890 625 HG21 THR 78 HG21 THR 78 -3.045 -11.516 26.033 626 HG22 THR 78 HG22 THR 78 -3.848 -10.468 27.202 627 HG23 THR 78 HG23 THR 78 -2.364 -9.933 26.412 628 H SER 79 HN SER 79 -3.047 -7.201 24.302 629 HA SER 79 HA SER 79 -1.110 -6.663 26.293 630 HB2 SER 79 HB2 SER 79 -0.612 -6.574 23.882 631 HB3 SER 79 HB1 SER 79 -1.664 -5.171 23.717 632 HG SER 79 HG SER 79 0.813 -5.429 25.026 633 H ALA 80 HN ALA 80 -3.912 -4.854 25.123 634 HA ALA 80 HA ALA 80 -3.441 -2.393 26.330 635 HB1 ALA 80 HB1 ALA 80 -5.802 -1.999 26.151 636 HB2 ALA 80 HB2 ALA 80 -6.142 -3.729 26.126 637 HB3 ALA 80 HB3 ALA 80 -5.325 -2.972 24.758 638 H LEU 81 HN LEU 81 -5.120 -5.228 27.678 639 HA LEU 81 HA LEU 81 -5.617 -4.062 30.219 640 HB2 LEU 81 HB2 LEU 81 -5.331 -6.997 29.547 641 HB3 LEU 81 HB1 LEU 81 -6.189 -6.304 30.924 642 HG LEU 81 HG LEU 81 -6.895 -5.806 28.016 643 HD11 LEU 81 HD11 LEU 81 -8.914 -7.211 28.602 644 HD12 LEU 81 HD12 LEU 81 -8.111 -7.632 30.115 645 HD13 LEU 81 HD13 LEU 81 -7.396 -8.107 28.574 646 HD21 LEU 81 HD21 LEU 81 -7.693 -3.936 29.204 647 HD22 LEU 81 HD22 LEU 81 -8.028 -4.876 30.658 648 HD23 LEU 81 HD23 LEU 81 -9.076 -5.024 29.251 649 H GLY 82 HN GLY 82 -2.886 -5.749 28.829 650 HA2 GLY 82 HA2 GLY 82 -0.685 -5.782 29.582 651 HA3 GLY 82 HA1 GLY 82 -1.202 -4.928 31.033 652 H LEU 83 HN LEU 83 -3.017 -7.718 30.195 653 HA LEU 83 HA LEU 83 -2.434 -9.030 32.635 654 HB2 LEU 83 HB2 LEU 83 -3.770 -9.958 30.091 655 HB3 LEU 83 HB1 LEU 83 -3.649 -10.970 31.527 656 HG LEU 83 HG LEU 83 -4.829 -8.180 31.592 657 HD11 LEU 83 HD11 LEU 83 -6.235 -10.834 31.160 658 HD12 LEU 83 HD12 LEU 83 -6.149 -9.489 30.021 659 HD13 LEU 83 HD13 LEU 83 -7.053 -9.314 31.525 660 HD21 LEU 83 HD21 LEU 83 -4.740 -10.530 33.493 661 HD22 LEU 83 HD22 LEU 83 -6.044 -9.353 33.603 662 HD23 LEU 83 HD23 LEU 83 -4.378 -8.837 33.814 663 H GLU 84 HN GLU 84 -1.304 -9.541 29.318 664 HA GLU 84 HA GLU 84 0.463 -10.740 28.477 665 HB2 GLU 84 HB2 GLU 84 1.715 -9.287 30.070 666 HB3 GLU 84 HB1 GLU 84 1.544 -10.540 31.298 667 HG2 GLU 84 HG2 GLU 84 2.732 -12.140 29.860 668 HG3 GLU 84 HG1 GLU 84 2.888 -10.908 28.608 669 H HIS 85 HN HIS 85 0.520 -12.833 27.971 670 HA HIS 85 HA HIS 85 0.230 -15.107 28.088 671 HB2 HIS 85 HB2 HIS 85 2.160 -14.948 29.606 672 HB3 HIS 85 HB1 HIS 85 1.074 -14.671 30.965 673 HD2 HIS 85 HD2 HIS 85 1.578 -17.596 28.300 674 HE1 HIS 85 HE1 HIS 85 0.188 -19.234 31.933 675 HE2 HIS 85 HE2 HIS 85 0.963 -19.787 29.579 676 H HIS 86 HN HIS 86 -1.657 -16.132 28.038 677 HA HIS 86 HA HIS 86 -3.903 -15.225 29.561 678 HB2 HIS 86 HB2 HIS 86 -3.560 -17.694 27.842 679 HB3 HIS 86 HB1 HIS 86 -5.095 -17.091 28.467 680 HD2 HIS 86 HD2 HIS 86 -2.762 -16.493 25.468 681 HE1 HIS 86 HE1 HIS 86 -5.513 -13.290 25.497 682 HE2 HIS 86 HE2 HIS 86 -3.705 -14.451 24.142 683 H HIS 87 HN HIS 87 -4.952 -16.201 31.271 684 HA HIS 87 HA HIS 87 -3.322 -17.998 32.898 685 HB2 HIS 87 HB2 HIS 87 -4.483 -15.993 33.864 686 HB3 HIS 87 HB1 HIS 87 -6.022 -16.788 33.531 687 HD2 HIS 87 HD2 HIS 87 -3.068 -17.031 36.077 688 HE1 HIS 87 HE1 HIS 87 -5.881 -20.011 37.091 689 HE2 HIS 87 HE2 HIS 87 -3.763 -18.826 37.840 690 H HIS 88 HN HIS 88 -3.563 -19.810 31.391 691 HA HIS 88 HA HIS 88 -6.080 -21.004 30.846 692 HB2 HIS 88 HB2 HIS 88 -3.964 -21.449 29.575 693 HB3 HIS 88 HB1 HIS 88 -3.385 -22.374 30.961 694 HD2 HIS 88 HD2 HIS 88 -3.607 -24.673 29.105 695 HE1 HIS 88 HE1 HIS 88 -7.808 -24.861 29.484 696 HE2 HIS 88 HE2 HIS 88 -5.749 -26.100 28.661 697 H HIS 89 HN HIS 89 -3.645 -21.533 33.369 698 HA HIS 89 HA HIS 89 -5.688 -22.784 35.061 699 HB2 HIS 89 HB2 HIS 89 -3.061 -24.131 34.382 700 HB3 HIS 89 HB1 HIS 89 -4.213 -24.687 35.598 701 HD2 HIS 89 HD2 HIS 89 -3.669 -24.931 31.782 702 HE1 HIS 89 HE1 HIS 89 -7.531 -26.449 32.559 703 HE2 HIS 89 HE2 HIS 89 -5.721 -26.210 30.795 704 H HIS 90 HN HIS 90 -4.992 -22.972 37.305 705 HA HIS 90 HA HIS 90 -3.795 -20.642 38.288 706 HB2 HIS 90 HB2 HIS 90 -4.205 -23.342 39.589 707 HB3 HIS 90 HB1 HIS 90 -3.672 -21.903 40.459 708 HD2 HIS 90 HD2 HIS 90 -5.712 -20.076 41.061 709 HE1 HIS 90 HE1 HIS 90 -8.815 -22.071 39.007 710 HE2 HIS 90 HE2 HIS 90 -8.278 -20.151 40.581 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -7.179 5.910 14.103 2 H2 MET 1 HT2 MET 1 -6.123 6.120 12.788 3 H3 MET 1 HT3 MET 1 -5.731 6.769 14.308 4 HA MET 1 HA MET 1 -6.209 3.923 14.322 5 HB2 MET 1 HB2 MET 1 -3.880 5.144 12.817 6 HB3 MET 1 HB1 MET 1 -3.945 3.461 13.342 7 HG2 MET 1 HG2 MET 1 -6.031 3.151 12.039 8 HG3 MET 1 HG1 MET 1 -5.912 4.816 11.473 9 HE1 MET 1 HE1 MET 1 -2.854 5.361 10.733 10 HE2 MET 1 HE2 MET 1 -4.393 5.764 9.977 11 HE3 MET 1 HE3 MET 1 -3.131 4.985 9.028 12 H GLY 2 HN GLY 2 -6.192 4.148 16.544 13 HA2 GLY 2 HA2 GLY 2 -3.588 4.434 17.776 14 HA3 GLY 2 HA1 GLY 2 -4.726 5.708 18.207 15 H GLN 3 HN GLN 3 -3.680 3.967 20.113 16 HA GLN 3 HA GLN 3 -4.244 2.421 21.734 17 HB2 GLN 3 HB2 GLN 3 -6.890 3.802 21.236 18 HB3 GLN 3 HB1 GLN 3 -6.562 2.759 22.619 19 HG2 GLN 3 HG2 GLN 3 -4.947 5.230 21.928 20 HG3 GLN 3 HG1 GLN 3 -6.248 5.197 23.116 21 HE21 GLN 3 HE21 GLN 3 -5.829 4.170 25.167 22 HE22 GLN 3 HE22 GLN 3 -4.282 3.627 25.608 23 H ILE 4 HN ILE 4 -7.517 2.122 20.766 24 HA ILE 4 HA ILE 4 -7.118 -0.686 20.123 25 HB ILE 4 HB ILE 4 -9.596 0.940 20.437 26 HG12 ILE 4 HG12 ILE 4 -8.448 -1.211 22.219 27 HG13 ILE 4 HG11 ILE 4 -8.179 0.511 22.486 28 HG21 ILE 4 HG21 ILE 4 -10.663 -1.378 20.553 29 HG22 ILE 4 HG22 ILE 4 -9.151 -1.989 19.881 30 HG23 ILE 4 HG23 ILE 4 -10.131 -0.854 18.955 31 HD11 ILE 4 HD11 ILE 4 -10.682 0.814 22.526 32 HD12 ILE 4 HD12 ILE 4 -10.054 -0.158 23.857 33 HD13 ILE 4 HD13 ILE 4 -10.837 -0.942 22.484 34 H PHE 5 HN PHE 5 -7.219 -1.559 18.138 35 HA PHE 5 HA PHE 5 -7.112 0.087 15.832 36 HB2 PHE 5 HB2 PHE 5 -7.320 -2.874 16.342 37 HB3 PHE 5 HB1 PHE 5 -7.551 -2.271 14.701 38 HD1 PHE 5 HD2 PHE 5 -5.222 -1.758 17.605 39 HD2 PHE 5 HD1 PHE 5 -5.650 -2.088 13.344 40 HE1 PHE 5 HE2 PHE 5 -2.766 -1.549 17.343 41 HE2 PHE 5 HE1 PHE 5 -3.192 -1.874 13.082 42 HZ PHE 5 HZ PHE 5 -1.750 -1.606 15.083 43 H THR 6 HN THR 6 -8.638 0.745 14.430 44 HA THR 6 HA THR 6 -11.405 0.538 15.219 45 HB THR 6 HB THR 6 -10.353 1.664 12.627 46 HG1 THR 6 HG1 THR 6 -10.758 3.471 14.580 47 HG21 THR 6 HG21 THR 6 -12.329 3.015 12.697 48 HG22 THR 6 HG22 THR 6 -12.673 2.534 14.359 49 HG23 THR 6 HG23 THR 6 -12.838 1.364 13.051 50 H VAL 7 HN VAL 7 -13.043 -0.561 14.185 51 HA VAL 7 HA VAL 7 -12.387 -2.988 12.901 52 HB VAL 7 HB VAL 7 -14.453 -2.711 14.179 53 HG11 VAL 7 HG11 VAL 7 -15.535 -1.023 11.918 54 HG12 VAL 7 HG12 VAL 7 -14.737 -0.282 13.306 55 HG13 VAL 7 HG13 VAL 7 -16.193 -1.247 13.539 56 HG21 VAL 7 HG21 VAL 7 -15.218 -3.146 11.282 57 HG22 VAL 7 HG22 VAL 7 -15.871 -3.941 12.715 58 HG23 VAL 7 HG23 VAL 7 -14.237 -4.314 12.168 59 H GLN 8 HN GLN 8 -13.727 0.052 11.623 60 HA GLN 8 HA GLN 8 -14.044 -0.731 8.966 61 HB2 GLN 8 HB2 GLN 8 -13.537 1.905 10.313 62 HB3 GLN 8 HB1 GLN 8 -13.582 1.815 8.552 63 HG2 GLN 8 HG2 GLN 8 -15.788 0.565 10.190 64 HG3 GLN 8 HG1 GLN 8 -15.806 2.297 9.849 65 HE21 GLN 8 HE21 GLN 8 -17.463 -0.125 8.800 66 HE22 GLN 8 HE22 GLN 8 -17.425 0.080 7.115 67 H GLU 9 HN GLU 9 -11.161 0.206 10.718 68 HA GLU 9 HA GLU 9 -9.508 0.603 8.436 69 HB2 GLU 9 HB2 GLU 9 -8.988 1.431 10.732 70 HB3 GLU 9 HB1 GLU 9 -8.689 -0.234 11.227 71 HG2 GLU 9 HG2 GLU 9 -7.249 0.995 8.873 72 HG3 GLU 9 HG1 GLU 9 -6.648 1.177 10.518 73 H LEU 10 HN LEU 10 -9.564 -2.100 10.775 74 HA LEU 10 HA LEU 10 -8.028 -3.804 9.099 75 HB2 LEU 10 HB2 LEU 10 -8.071 -4.107 11.528 76 HB3 LEU 10 HB1 LEU 10 -9.789 -4.492 11.462 77 HG LEU 10 HG LEU 10 -9.307 -6.470 10.067 78 HD11 LEU 10 HD11 LEU 10 -6.743 -7.093 10.040 79 HD12 LEU 10 HD12 LEU 10 -6.515 -5.350 10.174 80 HD13 LEU 10 HD13 LEU 10 -7.398 -6.024 8.803 81 HD21 LEU 10 HD21 LEU 10 -8.420 -7.829 11.803 82 HD22 LEU 10 HD22 LEU 10 -9.205 -6.481 12.624 83 HD23 LEU 10 HD23 LEU 10 -7.451 -6.505 12.451 84 H LYS 11 HN LYS 11 -11.482 -3.403 9.641 85 HA LYS 11 HA LYS 11 -12.416 -5.688 8.335 86 HB2 LYS 11 HB2 LYS 11 -13.866 -4.231 9.673 87 HB3 LYS 11 HB1 LYS 11 -13.684 -2.947 8.480 88 HG2 LYS 11 HG2 LYS 11 -14.775 -4.290 6.790 89 HG3 LYS 11 HG1 LYS 11 -14.850 -5.672 7.885 90 HD2 LYS 11 HD2 LYS 11 -16.291 -4.361 9.410 91 HD3 LYS 11 HD1 LYS 11 -16.227 -3.002 8.286 92 HE2 LYS 11 HE2 LYS 11 -18.281 -4.258 7.899 93 HE3 LYS 11 HE1 LYS 11 -17.202 -4.465 6.518 94 HZ1 LYS 11 HZ1 LYS 11 -16.414 -6.546 7.623 95 HZ2 LYS 11 HZ2 LYS 11 -18.025 -6.592 7.086 96 HZ3 LYS 11 HZ3 LYS 11 -17.683 -6.374 8.735 97 H GLU 12 HN GLU 12 -11.817 -2.428 7.014 98 HA GLU 12 HA GLU 12 -12.535 -3.096 4.355 99 HB2 GLU 12 HB2 GLU 12 -10.821 -0.901 5.515 100 HB3 GLU 12 HB1 GLU 12 -11.181 -1.026 3.792 101 HG2 GLU 12 HG2 GLU 12 -13.568 -0.885 4.233 102 HG3 GLU 12 HG1 GLU 12 -13.285 -0.910 5.972 103 H ARG 13 HN ARG 13 -9.412 -3.023 6.039 104 HA ARG 13 HA ARG 13 -7.875 -3.744 3.748 105 HB2 ARG 13 HB2 ARG 13 -6.915 -2.608 5.735 106 HB3 ARG 13 HB1 ARG 13 -7.191 -4.071 6.681 107 HG2 ARG 13 HG2 ARG 13 -5.723 -5.340 5.155 108 HG3 ARG 13 HG1 ARG 13 -5.452 -3.882 4.202 109 HD2 ARG 13 HD2 ARG 13 -4.546 -2.784 6.273 110 HD3 ARG 13 HD1 ARG 13 -4.671 -4.339 7.092 111 HE ARG 13 HE ARG 13 -3.183 -4.502 4.633 112 HH11 ARG 13 HH21 ARG 13 -3.086 -3.659 7.986 113 HH12 ARG 13 HH22 ARG 13 -1.386 -3.948 8.153 114 HH21 ARG 13 HH11 ARG 13 -0.954 -4.885 4.842 115 HH22 ARG 13 HH12 ARG 13 -0.179 -4.642 6.372 116 H ALA 14 HN ALA 14 -9.312 -5.564 6.412 117 HA ALA 14 HA ALA 14 -8.184 -8.070 5.721 118 HB1 ALA 14 HB1 ALA 14 -9.018 -7.701 7.963 119 HB2 ALA 14 HB2 ALA 14 -9.949 -9.001 7.218 120 HB3 ALA 14 HB3 ALA 14 -10.637 -7.382 7.339 121 H LYS 15 HN LYS 15 -11.213 -6.490 4.899 122 HA LYS 15 HA LYS 15 -12.408 -8.687 3.595 123 HB2 LYS 15 HB2 LYS 15 -12.741 -5.710 3.416 124 HB3 LYS 15 HB1 LYS 15 -13.684 -6.786 2.389 125 HG2 LYS 15 HG2 LYS 15 -13.570 -7.160 5.384 126 HG3 LYS 15 HG1 LYS 15 -14.721 -6.052 4.640 127 HD2 LYS 15 HD2 LYS 15 -15.399 -8.071 3.150 128 HD3 LYS 15 HD1 LYS 15 -14.535 -9.057 4.329 129 HE2 LYS 15 HE2 LYS 15 -16.751 -7.117 5.016 130 HE3 LYS 15 HE1 LYS 15 -16.964 -8.858 4.841 131 HZ1 LYS 15 HZ1 LYS 15 -16.639 -8.407 7.132 132 HZ2 LYS 15 HZ2 LYS 15 -15.277 -7.438 6.825 133 HZ3 LYS 15 HZ3 LYS 15 -15.205 -9.115 6.567 134 H VAL 16 HN VAL 16 -10.257 -6.125 2.452 135 HA VAL 16 HA VAL 16 -9.082 -5.872 0.492 136 HB VAL 16 HB VAL 16 -9.391 -8.883 0.378 137 HG11 VAL 16 HG11 VAL 16 -8.635 -8.135 -1.747 138 HG12 VAL 16 HG12 VAL 16 -7.174 -8.615 -0.883 139 HG13 VAL 16 HG13 VAL 16 -7.592 -6.908 -1.030 140 HG21 VAL 16 HG21 VAL 16 -7.132 -8.861 1.454 141 HG22 VAL 16 HG22 VAL 16 -8.384 -8.178 2.492 142 HG23 VAL 16 HG23 VAL 16 -7.271 -7.111 1.637 143 H PHE 17 HN PHE 17 -10.998 -8.690 -0.503 144 HA PHE 17 HA PHE 17 -11.765 -7.454 -2.967 145 HB2 PHE 17 HB2 PHE 17 -11.459 -9.903 -2.713 146 HB3 PHE 17 HB1 PHE 17 -12.874 -9.950 -1.660 147 HD1 PHE 17 HD1 PHE 17 -11.747 -8.959 -5.080 148 HD2 PHE 17 HD2 PHE 17 -15.055 -10.068 -2.574 149 HE1 PHE 17 HE1 PHE 17 -13.218 -9.072 -7.072 150 HE2 PHE 17 HE2 PHE 17 -16.527 -10.181 -4.568 151 HZ PHE 17 HZ PHE 17 -15.608 -9.683 -6.817 152 H ALA 18 HN ALA 18 -14.154 -7.463 -3.620 153 HA ALA 18 HA ALA 18 -15.541 -5.492 -2.288 154 HB1 ALA 18 HB1 ALA 18 -17.512 -6.195 -3.540 155 HB2 ALA 18 HB2 ALA 18 -16.773 -7.764 -3.865 156 HB3 ALA 18 HB3 ALA 18 -16.082 -6.302 -4.567 157 H LYS 19 HN LYS 19 -17.037 -5.395 -0.659 158 HA LYS 19 HA LYS 19 -16.940 -7.405 1.303 159 HB2 LYS 19 HB2 LYS 19 -18.621 -4.942 0.978 160 HB3 LYS 19 HB1 LYS 19 -18.882 -6.047 2.328 161 HG2 LYS 19 HG2 LYS 19 -17.316 -4.237 2.945 162 HG3 LYS 19 HG1 LYS 19 -16.528 -5.813 2.996 163 HD2 LYS 19 HD2 LYS 19 -15.339 -5.431 1.002 164 HD3 LYS 19 HD1 LYS 19 -16.424 -4.137 0.490 165 HE2 LYS 19 HE2 LYS 19 -14.669 -3.933 2.946 166 HE3 LYS 19 HE1 LYS 19 -14.161 -3.372 1.352 167 HZ1 LYS 19 HZ1 LYS 19 -16.715 -2.512 2.563 168 HZ2 LYS 19 HZ2 LYS 19 -15.856 -1.793 1.286 169 HZ3 LYS 19 HZ3 LYS 19 -15.265 -1.691 2.875 170 HA PRO 20 HA PRO 20 -20.224 -9.900 -0.543 171 HB2 PRO 20 HB2 PRO 20 -20.152 -12.010 1.171 172 HB3 PRO 20 HB1 PRO 20 -18.904 -11.747 -0.065 173 HG2 PRO 20 HG2 PRO 20 -18.825 -11.147 2.860 174 HG3 PRO 20 HG1 PRO 20 -17.559 -11.809 1.809 175 HD2 PRO 20 HD2 PRO 20 -17.684 -9.156 2.574 176 HD3 PRO 20 HD1 PRO 20 -16.881 -9.717 1.090 177 H ILE 21 HN ILE 21 -22.405 -10.391 -0.092 178 HA ILE 21 HA ILE 21 -23.533 -8.949 2.200 179 HB ILE 21 HB ILE 21 -24.466 -8.583 -0.069 180 HG12 ILE 21 HG12 ILE 21 -26.434 -10.017 1.737 181 HG13 ILE 21 HG11 ILE 21 -25.820 -8.393 2.067 182 HG21 ILE 21 HG21 ILE 21 -25.571 -11.390 0.116 183 HG22 ILE 21 HG22 ILE 21 -24.063 -11.043 -0.730 184 HG23 ILE 21 HG23 ILE 21 -25.570 -10.303 -1.273 185 HD11 ILE 21 HD11 ILE 21 -26.674 -7.632 -0.125 186 HD12 ILE 21 HD12 ILE 21 -27.972 -8.273 0.881 187 HD13 ILE 21 HD13 ILE 21 -27.311 -9.247 -0.434 188 H GLY 22 HN GLY 22 -24.244 -9.945 3.976 189 HA2 GLY 22 HA2 GLY 22 -25.410 -12.569 3.933 190 HA3 GLY 22 HA1 GLY 22 -23.799 -12.568 4.646 191 H ALA 23 HN ALA 23 -24.055 -9.872 5.727 192 HA ALA 23 HA ALA 23 -24.898 -8.728 7.539 193 HB1 ALA 23 HB1 ALA 23 -27.159 -9.697 6.551 194 HB2 ALA 23 HB2 ALA 23 -27.118 -8.977 8.159 195 HB3 ALA 23 HB3 ALA 23 -27.091 -10.732 7.978 196 H SER 24 HN SER 24 -24.548 -12.198 7.600 197 HA SER 24 HA SER 24 -24.345 -12.452 10.448 198 HB2 SER 24 HB2 SER 24 -23.469 -14.713 9.922 199 HB3 SER 24 HB1 SER 24 -24.977 -14.363 9.080 200 HG SER 24 HG SER 24 -22.455 -14.803 8.098 201 H TYR 25 HN TYR 25 -22.162 -11.619 7.884 202 HA TYR 25 HA TYR 25 -19.745 -12.171 9.343 203 HB2 TYR 25 HB2 TYR 25 -20.269 -10.511 6.867 204 HB3 TYR 25 HB1 TYR 25 -18.665 -10.862 7.512 205 HD1 TYR 25 HD1 TYR 25 -17.868 -13.236 7.655 206 HD2 TYR 25 HD2 TYR 25 -21.503 -12.155 5.639 207 HE1 TYR 25 HE1 TYR 25 -17.874 -15.426 6.492 208 HE2 TYR 25 HE2 TYR 25 -21.510 -14.345 4.476 209 HH TYR 25 HH TYR 25 -20.568 -16.377 4.382 210 H GLN 26 HN GLN 26 -22.019 -9.580 9.213 211 HA GLN 26 HA GLN 26 -20.347 -7.437 10.009 212 HB2 GLN 26 HB2 GLN 26 -22.600 -7.093 9.086 213 HB3 GLN 26 HB1 GLN 26 -23.303 -7.851 10.516 214 HG2 GLN 26 HG2 GLN 26 -22.446 -6.107 11.948 215 HG3 GLN 26 HG1 GLN 26 -21.514 -5.410 10.623 216 HE21 GLN 26 HE21 GLN 26 -23.496 -3.902 12.090 217 HE22 GLN 26 HE22 GLN 26 -24.758 -3.531 11.018 218 H GLY 27 HN GLY 27 -21.602 -10.150 11.710 219 HA2 GLY 27 HA2 GLY 27 -21.853 -9.244 14.322 220 HA3 GLY 27 HA1 GLY 27 -21.307 -10.859 13.883 221 H ILE 28 HN ILE 28 -19.011 -9.543 12.378 222 HA ILE 28 HA ILE 28 -17.078 -9.738 14.458 223 HB ILE 28 HB ILE 28 -16.650 -10.255 12.039 224 HG12 ILE 28 HG12 ILE 28 -14.815 -8.117 13.159 225 HG13 ILE 28 HG11 ILE 28 -14.849 -9.776 13.756 226 HG21 ILE 28 HG21 ILE 28 -17.856 -8.123 11.269 227 HG22 ILE 28 HG22 ILE 28 -16.336 -8.496 10.459 228 HG23 ILE 28 HG23 ILE 28 -16.386 -7.258 11.714 229 HD11 ILE 28 HD11 ILE 28 -14.243 -10.632 11.564 230 HD12 ILE 28 HD12 ILE 28 -13.078 -9.391 12.027 231 HD13 ILE 28 HD13 ILE 28 -14.352 -9.017 10.865 232 H LEU 29 HN LEU 29 -18.929 -7.130 13.141 233 HA LEU 29 HA LEU 29 -17.198 -5.071 14.295 234 HB2 LEU 29 HB2 LEU 29 -18.192 -4.648 12.111 235 HB3 LEU 29 HB1 LEU 29 -19.809 -4.897 12.763 236 HG LEU 29 HG LEU 29 -18.192 -2.865 14.232 237 HD11 LEU 29 HD11 LEU 29 -18.519 -1.109 12.542 238 HD12 LEU 29 HD12 LEU 29 -19.150 -2.303 11.409 239 HD13 LEU 29 HD13 LEU 29 -17.466 -2.382 11.927 240 HD21 LEU 29 HD21 LEU 29 -20.926 -2.528 12.981 241 HD22 LEU 29 HD22 LEU 29 -20.270 -1.749 14.419 242 HD23 LEU 29 HD23 LEU 29 -20.713 -3.454 14.467 243 H ASP 30 HN ASP 30 -20.184 -6.754 14.960 244 HA ASP 30 HA ASP 30 -21.335 -4.975 16.800 245 HB2 ASP 30 HB2 ASP 30 -22.499 -6.954 15.896 246 HB3 ASP 30 HB1 ASP 30 -21.420 -8.000 16.815 247 H GLN 31 HN GLN 31 -19.066 -7.676 17.319 248 HA GLN 31 HA GLN 31 -18.864 -7.322 20.127 249 HB2 GLN 31 HB2 GLN 31 -18.216 -9.406 18.898 250 HB3 GLN 31 HB1 GLN 31 -16.812 -8.548 18.267 251 HG2 GLN 31 HG2 GLN 31 -16.124 -9.808 20.218 252 HG3 GLN 31 HG1 GLN 31 -16.102 -8.097 20.636 253 HE21 GLN 31 HE21 GLN 31 -18.163 -11.028 20.888 254 HE22 GLN 31 HE22 GLN 31 -18.963 -10.526 22.298 255 H LEU 32 HN LEU 32 -16.815 -6.234 17.425 256 HA LEU 32 HA LEU 32 -14.859 -4.954 19.002 257 HB2 LEU 32 HB2 LEU 32 -15.771 -4.456 16.161 258 HB3 LEU 32 HB1 LEU 32 -14.361 -3.681 16.883 259 HG LEU 32 HG LEU 32 -14.755 -6.684 16.715 260 HD11 LEU 32 HD11 LEU 32 -13.214 -4.777 14.933 261 HD12 LEU 32 HD12 LEU 32 -14.543 -5.839 14.469 262 HD13 LEU 32 HD13 LEU 32 -12.984 -6.527 14.922 263 HD21 LEU 32 HD21 LEU 32 -13.183 -6.433 18.404 264 HD22 LEU 32 HD22 LEU 32 -12.603 -4.883 17.798 265 HD23 LEU 32 HD23 LEU 32 -12.107 -6.379 17.014 266 H ASP 33 HN ASP 33 -17.848 -3.752 17.527 267 HA ASP 33 HA ASP 33 -17.526 -1.046 18.258 268 HB2 ASP 33 HB2 ASP 33 -19.183 -1.884 16.598 269 HB3 ASP 33 HB1 ASP 33 -20.115 -2.574 17.926 270 H LEU 34 HN LEU 34 -18.865 -3.831 19.937 271 HA LEU 34 HA LEU 34 -20.047 -2.462 22.098 272 HB2 LEU 34 HB2 LEU 34 -20.251 -4.963 21.401 273 HB3 LEU 34 HB1 LEU 34 -18.796 -5.192 22.370 274 HG LEU 34 HG LEU 34 -20.185 -3.803 24.185 275 HD11 LEU 34 HD11 LEU 34 -22.435 -5.238 22.764 276 HD12 LEU 34 HD12 LEU 34 -22.077 -3.543 22.441 277 HD13 LEU 34 HD13 LEU 34 -22.537 -4.052 24.064 278 HD21 LEU 34 HD21 LEU 34 -21.027 -5.951 25.098 279 HD22 LEU 34 HD22 LEU 34 -19.369 -6.096 24.515 280 HD23 LEU 34 HD23 LEU 34 -20.702 -6.727 23.548 281 H VAL 35 HN VAL 35 -16.762 -3.630 21.546 282 HA VAL 35 HA VAL 35 -15.734 -3.306 24.131 283 HB VAL 35 HB VAL 35 -14.399 -2.991 21.430 284 HG11 VAL 35 HG11 VAL 35 -12.296 -3.463 22.799 285 HG12 VAL 35 HG12 VAL 35 -13.253 -3.083 24.230 286 HG13 VAL 35 HG13 VAL 35 -12.989 -1.852 22.995 287 HG21 VAL 35 HG21 VAL 35 -13.717 -5.263 21.726 288 HG22 VAL 35 HG22 VAL 35 -15.434 -5.219 22.122 289 HG23 VAL 35 HG23 VAL 35 -14.234 -5.271 23.411 290 H HIS 36 HN HIS 36 -16.442 -0.972 21.622 291 HA HIS 36 HA HIS 36 -14.977 1.180 22.864 292 HB2 HIS 36 HB2 HIS 36 -16.998 1.068 20.622 293 HB3 HIS 36 HB1 HIS 36 -16.283 2.576 21.191 294 HD2 HIS 36 HD2 HIS 36 -15.361 -0.395 18.900 295 HE1 HIS 36 HE1 HIS 36 -11.846 1.884 19.417 296 HE2 HIS 36 HE2 HIS 36 -12.904 -0.012 18.102 297 H GLN 37 HN GLN 37 -18.376 0.172 22.686 298 HA GLN 37 HA GLN 37 -19.251 2.400 24.338 299 HB2 GLN 37 HB2 GLN 37 -20.685 -0.015 23.213 300 HB3 GLN 37 HB1 GLN 37 -21.471 1.225 24.190 301 HG2 GLN 37 HG2 GLN 37 -20.806 2.946 22.560 302 HG3 GLN 37 HG1 GLN 37 -19.998 1.719 21.586 303 HE21 GLN 37 HE21 GLN 37 -21.319 1.480 19.756 304 HE22 GLN 37 HE22 GLN 37 -22.994 1.213 19.813 305 H ALA 38 HN ALA 38 -18.117 -0.809 24.786 306 HA ALA 38 HA ALA 38 -19.395 -1.261 27.333 307 HB1 ALA 38 HB1 ALA 38 -17.812 -3.202 27.447 308 HB2 ALA 38 HB2 ALA 38 -17.138 -2.678 25.904 309 HB3 ALA 38 HB3 ALA 38 -18.823 -3.188 26.003 310 H LYS 39 HN LYS 39 -18.075 -1.683 29.300 311 HA LYS 39 HA LYS 39 -15.501 -0.434 29.536 312 HB2 LYS 39 HB2 LYS 39 -17.189 1.497 29.521 313 HB3 LYS 39 HB1 LYS 39 -17.726 0.881 31.083 314 HG2 LYS 39 HG2 LYS 39 -16.102 2.408 31.766 315 HG3 LYS 39 HG1 LYS 39 -15.137 0.937 31.663 316 HD2 LYS 39 HD2 LYS 39 -14.384 1.572 29.404 317 HD3 LYS 39 HD1 LYS 39 -15.390 3.019 29.468 318 HE2 LYS 39 HE2 LYS 39 -14.109 3.824 31.421 319 HE3 LYS 39 HE1 LYS 39 -13.097 2.382 31.348 320 HZ1 LYS 39 HZ1 LYS 39 -13.221 4.660 29.499 321 HZ2 LYS 39 HZ2 LYS 39 -12.758 3.137 28.905 322 HZ3 LYS 39 HZ3 LYS 39 -11.865 3.875 30.148 323 H GLY 40 HN GLY 40 -14.424 -1.161 31.308 324 HA2 GLY 40 HA2 GLY 40 -13.999 -2.313 33.254 325 HA3 GLY 40 HA1 GLY 40 -15.685 -2.067 33.691 326 H ARG 41 HN ARG 41 -16.710 -3.911 34.046 327 HA ARG 41 HA ARG 41 -15.758 -6.469 33.359 328 HB2 ARG 41 HB2 ARG 41 -18.525 -5.511 34.124 329 HB3 ARG 41 HB1 ARG 41 -18.054 -7.209 34.018 330 HG2 ARG 41 HG2 ARG 41 -16.397 -6.935 35.747 331 HG3 ARG 41 HG1 ARG 41 -16.626 -5.185 35.757 332 HD2 ARG 41 HD2 ARG 41 -18.957 -5.487 36.475 333 HD3 ARG 41 HD1 ARG 41 -18.737 -7.234 36.467 334 HE ARG 41 HE ARG 41 -17.503 -7.061 38.457 335 HH11 ARG 41 HH21 ARG 41 -18.142 -3.965 37.047 336 HH12 ARG 41 HH22 ARG 41 -17.615 -3.069 38.432 337 HH21 ARG 41 HH11 ARG 41 -16.801 -5.884 40.282 338 HH22 ARG 41 HH12 ARG 41 -16.858 -4.153 40.260 339 H ASP 42 HN ASP 42 -18.180 -4.382 31.840 340 HA ASP 42 HA ASP 42 -19.112 -6.233 29.931 341 HB2 ASP 42 HB2 ASP 42 -20.285 -4.150 30.490 342 HB3 ASP 42 HB1 ASP 42 -18.972 -3.217 29.773 343 H GLN 43 HN GLN 43 -16.395 -3.976 29.916 344 HA GLN 43 HA GLN 43 -15.727 -4.265 27.172 345 HB2 GLN 43 HB2 GLN 43 -14.896 -2.443 28.641 346 HB3 GLN 43 HB1 GLN 43 -13.884 -3.614 29.480 347 HG2 GLN 43 HG2 GLN 43 -12.688 -4.117 27.422 348 HG3 GLN 43 HG1 GLN 43 -13.770 -3.069 26.504 349 HE21 GLN 43 HE21 GLN 43 -10.953 -2.591 26.530 350 HE22 GLN 43 HE22 GLN 43 -10.664 -1.143 27.366 351 H ILE 44 HN ILE 44 -14.709 -5.965 30.107 352 HA ILE 44 HA ILE 44 -12.731 -7.595 28.901 353 HB ILE 44 HB ILE 44 -14.391 -7.989 31.402 354 HG12 ILE 44 HG12 ILE 44 -11.470 -7.245 31.065 355 HG13 ILE 44 HG11 ILE 44 -12.757 -6.047 31.248 356 HG21 ILE 44 HG21 ILE 44 -12.112 -9.592 30.224 357 HG22 ILE 44 HG22 ILE 44 -13.681 -10.178 30.775 358 HG23 ILE 44 HG23 ILE 44 -12.485 -9.628 31.948 359 HD11 ILE 44 HD11 ILE 44 -11.638 -6.626 33.414 360 HD12 ILE 44 HD12 ILE 44 -12.213 -8.282 33.223 361 HD13 ILE 44 HD13 ILE 44 -13.369 -6.964 33.415 362 H ALA 45 HN ALA 45 -16.190 -8.088 29.520 363 HA ALA 45 HA ALA 45 -16.437 -10.753 28.806 364 HB1 ALA 45 HB1 ALA 45 -18.407 -8.563 28.112 365 HB2 ALA 45 HB2 ALA 45 -18.258 -9.293 29.711 366 HB3 ALA 45 HB3 ALA 45 -18.761 -10.276 28.336 367 H ALA 46 HN ALA 46 -16.371 -7.894 26.708 368 HA ALA 46 HA ALA 46 -16.897 -9.238 24.274 369 HB1 ALA 46 HB1 ALA 46 -17.126 -6.839 24.403 370 HB2 ALA 46 HB2 ALA 46 -15.852 -7.212 23.243 371 HB3 ALA 46 HB3 ALA 46 -15.433 -6.659 24.865 372 H SER 47 HN SER 47 -13.929 -8.510 26.044 373 HA SER 47 HA SER 47 -12.112 -9.297 24.056 374 HB2 SER 47 HB2 SER 47 -11.434 -8.036 26.056 375 HB3 SER 47 HB1 SER 47 -11.794 -9.436 27.061 376 HG SER 47 HG SER 47 -9.830 -9.180 25.031 377 H PHE 48 HN PHE 48 -13.635 -11.124 26.685 378 HA PHE 48 HA PHE 48 -12.289 -13.566 26.230 379 HB2 PHE 48 HB2 PHE 48 -14.829 -12.755 27.614 380 HB3 PHE 48 HB1 PHE 48 -14.527 -14.470 27.343 381 HD1 PHE 48 HD2 PHE 48 -12.390 -11.522 28.299 382 HD2 PHE 48 HD1 PHE 48 -13.652 -15.520 29.239 383 HE1 PHE 48 HE2 PHE 48 -10.840 -11.559 30.233 384 HE2 PHE 48 HE1 PHE 48 -12.103 -15.554 31.173 385 HZ PHE 48 HZ PHE 48 -10.696 -13.573 31.669 386 H GLU 49 HN GLU 49 -15.418 -12.350 25.048 387 HA GLU 49 HA GLU 49 -16.056 -14.677 23.547 388 HB2 GLU 49 HB2 GLU 49 -17.728 -12.980 24.239 389 HB3 GLU 49 HB1 GLU 49 -16.995 -11.832 23.118 390 HG2 GLU 49 HG2 GLU 49 -17.490 -13.322 21.231 391 HG3 GLU 49 HG1 GLU 49 -18.171 -14.515 22.336 392 H LEU 50 HN LEU 50 -14.439 -11.638 22.751 393 HA LEU 50 HA LEU 50 -14.233 -12.037 19.968 394 HB2 LEU 50 HB2 LEU 50 -13.789 -9.868 21.121 395 HB3 LEU 50 HB1 LEU 50 -12.299 -10.551 21.770 396 HG LEU 50 HG LEU 50 -11.515 -10.976 19.439 397 HD11 LEU 50 HD11 LEU 50 -14.216 -9.830 18.811 398 HD12 LEU 50 HD12 LEU 50 -13.339 -11.141 18.022 399 HD13 LEU 50 HD13 LEU 50 -12.879 -9.470 17.716 400 HD21 LEU 50 HD21 LEU 50 -10.696 -8.991 20.453 401 HD22 LEU 50 HD22 LEU 50 -12.246 -8.169 20.281 402 HD23 LEU 50 HD23 LEU 50 -11.258 -8.492 18.858 403 H ASN 51 HN ASN 51 -12.244 -13.127 22.673 404 HA ASN 51 HA ASN 51 -9.980 -13.972 21.279 405 HB2 ASN 51 HB2 ASN 51 -10.068 -13.920 23.715 406 HB3 ASN 51 HB1 ASN 51 -11.295 -15.184 23.719 407 HD21 ASN 51 HD21 ASN 51 -10.415 -17.180 22.168 408 HD22 ASN 51 HD22 ASN 51 -8.852 -17.692 22.587 409 H LYS 52 HN LYS 52 -12.971 -15.733 21.999 410 HA LYS 52 HA LYS 52 -12.198 -18.163 20.738 411 HB2 LYS 52 HB2 LYS 52 -15.070 -17.278 20.943 412 HB3 LYS 52 HB1 LYS 52 -14.388 -18.892 21.135 413 HG2 LYS 52 HG2 LYS 52 -14.086 -16.570 23.057 414 HG3 LYS 52 HG1 LYS 52 -15.033 -18.027 23.316 415 HD2 LYS 52 HD2 LYS 52 -12.976 -19.387 23.227 416 HD3 LYS 52 HD1 LYS 52 -12.019 -17.928 22.981 417 HE2 LYS 52 HE2 LYS 52 -12.769 -17.022 25.099 418 HE3 LYS 52 HE1 LYS 52 -13.778 -18.443 25.373 419 HZ1 LYS 52 HZ1 LYS 52 -10.904 -18.144 25.608 420 HZ2 LYS 52 HZ2 LYS 52 -11.423 -19.576 24.856 421 HZ3 LYS 52 HZ3 LYS 52 -11.955 -19.197 26.424 422 H LYS 53 HN LYS 53 -13.922 -15.303 19.662 423 HA LYS 53 HA LYS 53 -14.716 -16.244 17.127 424 HB2 LYS 53 HB2 LYS 53 -15.383 -14.075 18.315 425 HB3 LYS 53 HB1 LYS 53 -13.887 -13.396 17.680 426 HG2 LYS 53 HG2 LYS 53 -14.574 -13.902 15.393 427 HG3 LYS 53 HG1 LYS 53 -16.040 -14.687 15.977 428 HD2 LYS 53 HD2 LYS 53 -15.437 -11.817 16.696 429 HD3 LYS 53 HD1 LYS 53 -16.199 -12.217 15.156 430 HE2 LYS 53 HE2 LYS 53 -17.964 -13.484 16.464 431 HE3 LYS 53 HE1 LYS 53 -17.260 -12.810 17.934 432 HZ1 LYS 53 HZ1 LYS 53 -18.863 -11.269 17.435 433 HZ2 LYS 53 HZ2 LYS 53 -18.675 -11.437 15.755 434 HZ3 LYS 53 HZ3 LYS 53 -17.518 -10.584 16.661 435 H ILE 54 HN ILE 54 -11.809 -14.371 18.040 436 HA ILE 54 HA ILE 54 -10.665 -14.452 15.433 437 HB ILE 54 HB ILE 54 -9.452 -13.939 18.157 438 HG12 ILE 54 HG12 ILE 54 -10.033 -12.020 15.884 439 HG13 ILE 54 HG11 ILE 54 -11.181 -12.336 17.185 440 HG21 ILE 54 HG21 ILE 54 -8.250 -13.875 15.387 441 HG22 ILE 54 HG22 ILE 54 -7.604 -14.626 16.844 442 HG23 ILE 54 HG23 ILE 54 -7.603 -12.866 16.682 443 HD11 ILE 54 HD11 ILE 54 -9.893 -10.371 17.783 444 HD12 ILE 54 HD12 ILE 54 -8.379 -11.218 17.466 445 HD13 ILE 54 HD13 ILE 54 -9.388 -11.699 18.828 446 H ASN 55 HN ASN 55 -10.175 -16.369 18.378 447 HA ASN 55 HA ASN 55 -8.106 -18.000 17.389 448 HB2 ASN 55 HB2 ASN 55 -8.610 -17.896 19.765 449 HB3 ASN 55 HB1 ASN 55 -10.210 -18.581 19.486 450 HD21 ASN 55 HD21 ASN 55 -9.910 -20.574 20.615 451 HD22 ASN 55 HD22 ASN 55 -8.770 -21.739 20.139 452 H ASP 56 HN ASP 56 -11.629 -18.431 17.395 453 HA ASP 56 HA ASP 56 -11.653 -21.010 16.234 454 HB2 ASP 56 HB2 ASP 56 -13.710 -18.797 16.300 455 HB3 ASP 56 HB1 ASP 56 -14.026 -20.382 15.598 456 H TYR 57 HN TYR 57 -11.766 -17.760 14.845 457 HA TYR 57 HA TYR 57 -12.263 -18.467 12.177 458 HB2 TYR 57 HB2 TYR 57 -12.403 -16.155 12.968 459 HB3 TYR 57 HB1 TYR 57 -10.664 -16.137 13.265 460 HD1 TYR 57 HD2 TYR 57 -13.122 -16.885 10.536 461 HD2 TYR 57 HD1 TYR 57 -9.241 -15.356 11.563 462 HE1 TYR 57 HE2 TYR 57 -12.741 -16.262 8.168 463 HE2 TYR 57 HE1 TYR 57 -8.862 -14.731 9.192 464 HH TYR 57 HH TYR 57 -11.284 -15.476 6.686 465 H ILE 58 HN ILE 58 -9.224 -18.170 13.976 466 HA ILE 58 HA ILE 58 -7.471 -18.596 11.803 467 HB ILE 58 HB ILE 58 -7.166 -19.146 14.763 468 HG12 ILE 58 HG12 ILE 58 -5.925 -16.978 13.051 469 HG13 ILE 58 HG11 ILE 58 -7.470 -16.756 13.881 470 HG21 ILE 58 HG21 ILE 58 -4.669 -19.095 14.132 471 HG22 ILE 58 HG22 ILE 58 -5.203 -19.374 12.475 472 HG23 ILE 58 HG23 ILE 58 -5.559 -20.563 13.728 473 HD11 ILE 58 HD11 ILE 58 -4.773 -17.349 15.139 474 HD12 ILE 58 HD12 ILE 58 -6.294 -17.396 16.031 475 HD13 ILE 58 HD13 ILE 58 -5.735 -15.883 15.320 476 H ALA 59 HN ALA 59 -8.985 -20.842 14.102 477 HA ALA 59 HA ALA 59 -7.713 -23.191 13.221 478 HB1 ALA 59 HB1 ALA 59 -9.443 -24.384 14.379 479 HB2 ALA 59 HB2 ALA 59 -10.533 -22.999 14.295 480 HB3 ALA 59 HB3 ALA 59 -9.095 -22.930 15.314 481 H GLU 60 HN GLU 60 -10.346 -21.337 11.896 482 HA GLU 60 HA GLU 60 -11.383 -23.387 10.188 483 HB2 GLU 60 HB2 GLU 60 -12.623 -21.310 10.914 484 HB3 GLU 60 HB1 GLU 60 -11.603 -20.396 9.801 485 HG2 GLU 60 HG2 GLU 60 -13.610 -20.928 8.601 486 HG3 GLU 60 HG1 GLU 60 -12.358 -21.999 7.975 487 H HIS 61 HN HIS 61 -9.026 -20.767 9.793 488 HA HIS 61 HA HIS 61 -8.045 -22.066 7.323 489 HB2 HIS 61 HB2 HIS 61 -8.381 -19.077 7.592 490 HB3 HIS 61 HB1 HIS 61 -7.916 -19.985 6.154 491 HD2 HIS 61 HD2 HIS 61 -11.125 -18.740 7.863 492 HE1 HIS 61 HE1 HIS 61 -12.335 -21.594 4.996 493 HE2 HIS 61 HE2 HIS 61 -13.147 -19.784 6.582 494 HA PRO 62 HA PRO 62 -4.707 -20.826 10.360 495 HB2 PRO 62 HB2 PRO 62 -3.648 -23.320 10.771 496 HB3 PRO 62 HB1 PRO 62 -4.996 -22.671 11.725 497 HG2 PRO 62 HG2 PRO 62 -5.044 -24.609 9.461 498 HG3 PRO 62 HG1 PRO 62 -6.020 -24.576 10.941 499 HD2 PRO 62 HD2 PRO 62 -6.929 -23.699 8.483 500 HD3 PRO 62 HD1 PRO 62 -7.575 -23.123 10.031 501 H THR 63 HN THR 63 -4.921 -22.489 7.365 502 HA THR 63 HA THR 63 -2.075 -22.583 6.838 503 HB THR 63 HB THR 63 -3.707 -24.215 5.872 504 HG1 THR 63 HG1 THR 63 -2.007 -24.279 4.636 505 HG21 THR 63 HG21 THR 63 -5.443 -22.386 5.443 506 HG22 THR 63 HG22 THR 63 -5.214 -23.561 4.148 507 HG23 THR 63 HG23 THR 63 -4.491 -21.958 4.023 508 H SER 64 HN SER 64 -4.686 -20.339 6.372 509 HA SER 64 HA SER 64 -3.316 -18.769 4.360 510 HB2 SER 64 HB2 SER 64 -5.196 -17.144 4.826 511 HB3 SER 64 HB1 SER 64 -5.710 -18.742 4.293 512 HG SER 64 HG SER 64 -5.454 -18.832 6.916 513 H GLY 65 HN GLY 65 -2.469 -16.672 4.664 514 HA2 GLY 65 HA2 GLY 65 -1.329 -16.225 7.342 515 HA3 GLY 65 HA1 GLY 65 -0.784 -15.488 5.839 516 H ARG 66 HN ARG 66 -3.874 -15.141 5.381 517 HA ARG 66 HA ARG 66 -3.975 -12.393 5.997 518 HB2 ARG 66 HB2 ARG 66 -5.373 -13.723 4.277 519 HB3 ARG 66 HB1 ARG 66 -6.429 -14.110 5.634 520 HG2 ARG 66 HG2 ARG 66 -7.446 -12.152 4.899 521 HG3 ARG 66 HG1 ARG 66 -6.305 -11.475 6.059 522 HD2 ARG 66 HD2 ARG 66 -4.666 -11.272 4.087 523 HD3 ARG 66 HD1 ARG 66 -6.046 -11.607 3.048 524 HE ARG 66 HE ARG 66 -6.865 -9.476 3.516 525 HH11 ARG 66 HH21 ARG 66 -4.294 -10.358 5.657 526 HH12 ARG 66 HH22 ARG 66 -4.128 -8.773 6.334 527 HH21 ARG 66 HH11 ARG 66 -6.651 -7.395 4.397 528 HH22 ARG 66 HH12 ARG 66 -5.463 -7.095 5.620 529 H ASN 67 HN ASN 67 -5.107 -15.246 7.719 530 HA ASN 67 HA ASN 67 -6.692 -13.985 9.671 531 HB2 ASN 67 HB2 ASN 67 -5.032 -16.498 9.956 532 HB3 ASN 67 HB1 ASN 67 -6.383 -16.019 10.980 533 HD21 ASN 67 HD21 ASN 67 -6.898 -15.136 7.703 534 HD22 ASN 67 HD22 ASN 67 -7.902 -16.436 7.279 535 H GLN 68 HN GLN 68 -3.219 -14.502 9.450 536 HA GLN 68 HA GLN 68 -2.331 -14.054 11.995 537 HB2 GLN 68 HB2 GLN 68 -0.855 -14.433 10.041 538 HB3 GLN 68 HB1 GLN 68 -1.177 -12.786 9.498 539 HG2 GLN 68 HG2 GLN 68 -0.199 -11.874 11.535 540 HG3 GLN 68 HG1 GLN 68 0.023 -13.496 12.188 541 HE21 GLN 68 HE21 GLN 68 2.245 -11.730 11.830 542 HE22 GLN 68 HE22 GLN 68 3.237 -12.363 10.607 543 H ALA 69 HN ALA 69 -3.996 -11.817 9.932 544 HA ALA 69 HA ALA 69 -3.190 -9.420 11.287 545 HB1 ALA 69 HB1 ALA 69 -4.762 -8.313 9.913 546 HB2 ALA 69 HB2 ALA 69 -5.737 -9.768 9.710 547 HB3 ALA 69 HB3 ALA 69 -4.166 -9.641 8.920 548 H LEU 70 HN LEU 70 -6.094 -11.474 11.407 549 HA LEU 70 HA LEU 70 -7.454 -9.970 13.396 550 HB2 LEU 70 HB2 LEU 70 -7.679 -12.792 12.358 551 HB3 LEU 70 HB1 LEU 70 -8.632 -12.276 13.748 552 HG LEU 70 HG LEU 70 -9.553 -10.406 12.429 553 HD11 LEU 70 HD11 LEU 70 -9.130 -10.570 9.894 554 HD12 LEU 70 HD12 LEU 70 -7.741 -11.573 10.312 555 HD13 LEU 70 HD13 LEU 70 -7.829 -9.906 10.882 556 HD21 LEU 70 HD21 LEU 70 -9.877 -12.934 10.803 557 HD22 LEU 70 HD22 LEU 70 -11.089 -11.710 11.183 558 HD23 LEU 70 HD23 LEU 70 -10.524 -12.811 12.439 559 H THR 71 HN THR 71 -5.166 -12.663 13.543 560 HA THR 71 HA THR 71 -5.374 -13.375 16.216 561 HB THR 71 HB THR 71 -2.752 -13.157 14.729 562 HG1 THR 71 HG1 THR 71 -4.456 -14.189 13.513 563 HG21 THR 71 HG21 THR 71 -2.124 -15.046 16.113 564 HG22 THR 71 HG22 THR 71 -3.757 -15.161 16.765 565 HG23 THR 71 HG23 THR 71 -2.745 -13.773 17.163 566 H GLN 72 HN GLN 72 -3.537 -10.735 14.750 567 HA GLN 72 HA GLN 72 -2.253 -9.830 17.094 568 HB2 GLN 72 HB2 GLN 72 -3.073 -8.444 14.543 569 HB3 GLN 72 HB1 GLN 72 -2.136 -7.646 15.808 570 HG2 GLN 72 HG2 GLN 72 -1.308 -10.234 14.465 571 HG3 GLN 72 HG1 GLN 72 -0.727 -8.646 13.974 572 HE21 GLN 72 HE21 GLN 72 0.502 -11.162 15.489 573 HE22 GLN 72 HE22 GLN 72 1.362 -10.425 16.753 574 H LEU 73 HN LEU 73 -5.466 -9.307 15.788 575 HA LEU 73 HA LEU 73 -6.145 -7.067 17.379 576 HB2 LEU 73 HB2 LEU 73 -7.359 -8.270 15.318 577 HB3 LEU 73 HB1 LEU 73 -8.260 -9.049 16.612 578 HG LEU 73 HG LEU 73 -7.971 -6.066 16.159 579 HD11 LEU 73 HD11 LEU 73 -10.274 -6.115 15.548 580 HD12 LEU 73 HD12 LEU 73 -10.471 -7.763 16.146 581 HD13 LEU 73 HD13 LEU 73 -9.529 -7.464 14.688 582 HD21 LEU 73 HD21 LEU 73 -8.085 -6.240 18.499 583 HD22 LEU 73 HD22 LEU 73 -9.104 -7.678 18.446 584 HD23 LEU 73 HD23 LEU 73 -9.785 -6.096 18.055 585 H LYS 74 HN LYS 74 -6.386 -10.564 17.901 586 HA LYS 74 HA LYS 74 -7.910 -10.578 20.243 587 HB2 LYS 74 HB2 LYS 74 -7.227 -12.597 18.966 588 HB3 LYS 74 HB1 LYS 74 -5.587 -12.390 19.580 589 HG2 LYS 74 HG2 LYS 74 -6.361 -12.661 21.873 590 HG3 LYS 74 HG1 LYS 74 -8.035 -12.717 21.329 591 HD2 LYS 74 HD2 LYS 74 -7.402 -14.993 21.655 592 HD3 LYS 74 HD1 LYS 74 -7.371 -14.737 19.913 593 HE2 LYS 74 HE2 LYS 74 -4.986 -14.591 19.877 594 HE3 LYS 74 HE1 LYS 74 -4.895 -14.436 21.631 595 HZ1 LYS 74 HZ1 LYS 74 -5.420 -16.654 21.935 596 HZ2 LYS 74 HZ2 LYS 74 -4.413 -16.702 20.568 597 HZ3 LYS 74 HZ3 LYS 74 -6.098 -16.824 20.390 598 H GLU 75 HN GLU 75 -4.343 -10.631 20.010 599 HA GLU 75 HA GLU 75 -3.942 -10.293 22.796 600 HB2 GLU 75 HB2 GLU 75 -1.593 -9.795 22.171 601 HB3 GLU 75 HB1 GLU 75 -2.204 -11.254 21.395 602 HG2 GLU 75 HG2 GLU 75 -1.103 -10.080 19.660 603 HG3 GLU 75 HG1 GLU 75 -2.812 -9.755 19.411 604 H GLN 76 HN GLN 76 -4.589 -8.084 20.209 605 HA GLN 76 HA GLN 76 -3.504 -5.727 21.315 606 HB2 GLN 76 HB2 GLN 76 -4.303 -5.970 18.959 607 HB3 GLN 76 HB1 GLN 76 -5.957 -5.965 19.558 608 HG2 GLN 76 HG2 GLN 76 -5.396 -3.726 18.842 609 HG3 GLN 76 HG1 GLN 76 -5.520 -3.729 20.598 610 HE21 GLN 76 HE21 GLN 76 -3.966 -2.160 21.174 611 HE22 GLN 76 HE22 GLN 76 -2.333 -2.241 20.720 612 H VAL 77 HN VAL 77 -6.827 -7.028 21.469 613 HA VAL 77 HA VAL 77 -7.876 -5.011 23.122 614 HB VAL 77 HB VAL 77 -8.683 -7.911 22.810 615 HG11 VAL 77 HG11 VAL 77 -10.014 -5.575 24.199 616 HG12 VAL 77 HG12 VAL 77 -9.618 -7.153 24.879 617 HG13 VAL 77 HG13 VAL 77 -10.904 -7.008 23.681 618 HG21 VAL 77 HG21 VAL 77 -10.474 -6.859 21.389 619 HG22 VAL 77 HG22 VAL 77 -8.849 -6.659 20.735 620 HG23 VAL 77 HG23 VAL 77 -9.638 -5.316 21.561 621 H THR 78 HN THR 78 -6.460 -8.175 23.926 622 HA THR 78 HA THR 78 -6.823 -8.014 26.715 623 HB THR 78 HB THR 78 -5.106 -9.764 26.845 624 HG1 THR 78 HG1 THR 78 -3.792 -8.753 25.174 625 HG21 THR 78 HG21 THR 78 -7.337 -10.451 26.178 626 HG22 THR 78 HG22 THR 78 -6.159 -11.366 25.236 627 HG23 THR 78 HG23 THR 78 -7.010 -10.007 24.502 628 H SER 79 HN SER 79 -4.326 -6.754 24.587 629 HA SER 79 HA SER 79 -2.396 -6.128 26.547 630 HB2 SER 79 HB2 SER 79 -1.915 -6.109 24.132 631 HB3 SER 79 HB1 SER 79 -2.976 -4.719 23.931 632 HG SER 79 HG SER 79 -1.358 -4.096 25.877 633 H ALA 80 HN ALA 80 -5.098 -4.246 25.211 634 HA ALA 80 HA ALA 80 -4.589 -1.850 26.579 635 HB1 ALA 80 HB1 ALA 80 -7.199 -3.041 25.635 636 HB2 ALA 80 HB2 ALA 80 -6.173 -1.907 24.755 637 HB3 ALA 80 HB3 ALA 80 -7.014 -1.386 26.216 638 H LEU 81 HN LEU 81 -6.630 -4.611 27.470 639 HA LEU 81 HA LEU 81 -7.482 -3.531 29.950 640 HB2 LEU 81 HB2 LEU 81 -7.318 -6.359 28.913 641 HB3 LEU 81 HB1 LEU 81 -8.109 -5.917 30.429 642 HG LEU 81 HG LEU 81 -8.812 -4.697 27.746 643 HD11 LEU 81 HD11 LEU 81 -10.797 -6.249 27.850 644 HD12 LEU 81 HD12 LEU 81 -10.032 -7.058 29.219 645 HD13 LEU 81 HD13 LEU 81 -9.259 -7.083 27.635 646 HD21 LEU 81 HD21 LEU 81 -9.690 -3.259 29.384 647 HD22 LEU 81 HD22 LEU 81 -9.963 -4.560 30.539 648 HD23 LEU 81 HD23 LEU 81 -11.034 -4.370 29.152 649 H GLY 82 HN GLY 82 -4.643 -5.369 28.983 650 HA2 GLY 82 HA2 GLY 82 -2.806 -6.105 30.172 651 HA3 GLY 82 HA1 GLY 82 -2.974 -4.564 31.006 652 H LEU 83 HN LEU 83 -4.770 -7.604 30.971 653 HA LEU 83 HA LEU 83 -5.368 -7.550 33.768 654 HB2 LEU 83 HB2 LEU 83 -6.046 -10.046 33.174 655 HB3 LEU 83 HB1 LEU 83 -7.027 -8.697 32.623 656 HG LEU 83 HG LEU 83 -6.512 -10.484 30.896 657 HD11 LEU 83 HD11 LEU 83 -6.574 -7.636 30.617 658 HD12 LEU 83 HD12 LEU 83 -7.122 -8.871 29.491 659 HD13 LEU 83 HD13 LEU 83 -5.467 -8.282 29.405 660 HD21 LEU 83 HD21 LEU 83 -4.350 -10.641 29.898 661 HD22 LEU 83 HD22 LEU 83 -4.083 -10.713 31.636 662 HD23 LEU 83 HD23 LEU 83 -3.751 -9.225 30.760 663 H GLU 84 HN GLU 84 -2.610 -8.291 32.076 664 HA GLU 84 HA GLU 84 -0.645 -9.343 32.612 665 HB2 GLU 84 HB2 GLU 84 -0.910 -8.012 34.700 666 HB3 GLU 84 HB1 GLU 84 -1.774 -9.368 35.421 667 HG2 GLU 84 HG2 GLU 84 0.181 -10.809 35.128 668 HG3 GLU 84 HG1 GLU 84 1.052 -9.493 34.341 669 H HIS 85 HN HIS 85 -0.450 -11.329 31.773 670 HA HIS 85 HA HIS 85 -2.247 -13.476 32.451 671 HB2 HIS 85 HB2 HIS 85 0.275 -13.380 30.782 672 HB3 HIS 85 HB1 HIS 85 -0.717 -14.826 30.979 673 HD2 HIS 85 HD2 HIS 85 -3.212 -14.756 29.619 674 HE1 HIS 85 HE1 HIS 85 -2.566 -11.052 27.703 675 HE2 HIS 85 HE2 HIS 85 -4.084 -13.085 27.814 676 H HIS 86 HN HIS 86 -1.856 -15.269 33.700 677 HA HIS 86 HA HIS 86 0.452 -15.092 35.537 678 HB2 HIS 86 HB2 HIS 86 -2.151 -16.630 35.710 679 HB3 HIS 86 HB1 HIS 86 -0.860 -16.710 36.908 680 HD2 HIS 86 HD2 HIS 86 -3.742 -14.311 35.848 681 HE1 HIS 86 HE1 HIS 86 -1.622 -12.436 38.980 682 HE2 HIS 86 HE2 HIS 86 -3.705 -12.316 37.532 683 H HIS 87 HN HIS 87 2.037 -16.557 35.515 684 HA HIS 87 HA HIS 87 2.530 -18.267 33.406 685 HB2 HIS 87 HB2 HIS 87 4.215 -17.570 35.092 686 HB3 HIS 87 HB1 HIS 87 3.463 -18.656 36.260 687 HD2 HIS 87 HD2 HIS 87 4.875 -19.210 32.558 688 HE1 HIS 87 HE1 HIS 87 5.902 -22.519 34.971 689 HE2 HIS 87 HE2 HIS 87 6.093 -21.518 32.645 690 H HIS 88 HN HIS 88 2.012 -19.673 36.619 691 HA HIS 88 HA HIS 88 1.127 -21.740 37.175 692 HB2 HIS 88 HB2 HIS 88 -0.841 -20.277 37.234 693 HB3 HIS 88 HB1 HIS 88 -1.121 -20.574 35.518 694 HD2 HIS 88 HD2 HIS 88 -2.907 -22.636 35.156 695 HE1 HIS 88 HE1 HIS 88 -2.143 -24.748 38.730 696 HE2 HIS 88 HE2 HIS 88 -3.550 -24.702 36.617 697 H HIS 89 HN HIS 89 2.513 -23.146 36.053 698 HA HIS 89 HA HIS 89 1.238 -24.537 33.802 699 HB2 HIS 89 HB2 HIS 89 2.837 -22.803 32.884 700 HB3 HIS 89 HB1 HIS 89 4.138 -23.692 33.677 701 HD2 HIS 89 HD2 HIS 89 1.926 -23.953 30.498 702 HE1 HIS 89 HE1 HIS 89 4.230 -27.486 30.707 703 HE2 HIS 89 HE2 HIS 89 2.663 -26.123 29.245 704 H HIS 90 HN HIS 90 1.585 -26.696 33.819 705 HA HIS 90 HA HIS 90 2.166 -28.757 34.646 706 HB2 HIS 90 HB2 HIS 90 4.383 -27.994 33.742 707 HB3 HIS 90 HB1 HIS 90 4.782 -27.420 35.361 708 HD2 HIS 90 HD2 HIS 90 4.310 -30.838 33.472 709 HE1 HIS 90 HE1 HIS 90 5.778 -31.662 37.344 710 HE2 HIS 90 HE2 HIS 90 5.225 -32.677 35.083 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 0.019 3.305 23.325 2 H2 MET 1 HT2 MET 1 -0.785 4.672 23.937 3 H3 MET 1 HT3 MET 1 -1.550 3.675 22.794 4 HA MET 1 HA MET 1 -0.681 2.588 25.395 5 HB2 MET 1 HB2 MET 1 -3.257 4.056 24.754 6 HB3 MET 1 HB1 MET 1 -3.027 3.045 26.181 7 HG2 MET 1 HG2 MET 1 -1.139 4.468 26.887 8 HG3 MET 1 HG1 MET 1 -1.370 5.482 25.461 9 HE1 MET 1 HE1 MET 1 -2.583 7.832 28.221 10 HE2 MET 1 HE2 MET 1 -1.869 7.794 26.610 11 HE3 MET 1 HE3 MET 1 -1.142 6.854 27.911 12 H GLY 2 HN GLY 2 -3.903 2.139 24.797 13 HA2 GLY 2 HA2 GLY 2 -3.656 -0.609 24.189 14 HA3 GLY 2 HA1 GLY 2 -5.144 0.330 24.104 15 H GLN 3 HN GLN 3 -4.191 2.240 22.180 16 HA GLN 3 HA GLN 3 -4.350 2.508 19.896 17 HB2 GLN 3 HB2 GLN 3 -1.951 1.844 20.226 18 HB3 GLN 3 HB1 GLN 3 -2.417 0.180 19.873 19 HG2 GLN 3 HG2 GLN 3 -3.265 0.877 17.666 20 HG3 GLN 3 HG1 GLN 3 -2.820 2.545 18.017 21 HE21 GLN 3 HE21 GLN 3 -1.086 2.880 16.575 22 HE22 GLN 3 HE22 GLN 3 0.312 1.918 16.539 23 H ILE 4 HN ILE 4 -6.608 1.616 20.168 24 HA ILE 4 HA ILE 4 -7.008 -1.081 19.110 25 HB ILE 4 HB ILE 4 -8.938 0.976 20.109 26 HG12 ILE 4 HG12 ILE 4 -8.134 -1.676 21.317 27 HG13 ILE 4 HG11 ILE 4 -7.375 -0.149 21.767 28 HG21 ILE 4 HG21 ILE 4 -10.125 -0.347 18.520 29 HG22 ILE 4 HG22 ILE 4 -10.502 -1.053 20.091 30 HG23 ILE 4 HG23 ILE 4 -9.311 -1.822 19.043 31 HD11 ILE 4 HD11 ILE 4 -10.301 -0.881 22.058 32 HD12 ILE 4 HD12 ILE 4 -9.656 0.737 22.343 33 HD13 ILE 4 HD13 ILE 4 -9.142 -0.611 23.359 34 H PHE 5 HN PHE 5 -7.548 -1.520 17.058 35 HA PHE 5 HA PHE 5 -7.472 0.526 15.075 36 HB2 PHE 5 HB2 PHE 5 -8.186 -2.409 15.009 37 HB3 PHE 5 HB1 PHE 5 -8.259 -1.395 13.567 38 HD1 PHE 5 HD1 PHE 5 -6.228 -0.423 12.600 39 HD2 PHE 5 HD2 PHE 5 -6.059 -2.954 16.066 40 HE1 PHE 5 HE1 PHE 5 -3.777 -0.661 12.305 41 HE2 PHE 5 HE2 PHE 5 -3.607 -3.193 15.770 42 HZ PHE 5 HZ PHE 5 -2.468 -2.045 13.890 43 H THR 6 HN THR 6 -9.069 1.682 14.178 44 HA THR 6 HA THR 6 -11.745 1.468 15.287 45 HB THR 6 HB THR 6 -10.744 3.328 13.125 46 HG1 THR 6 HG1 THR 6 -10.006 4.588 14.681 47 HG21 THR 6 HG21 THR 6 -13.132 3.313 14.981 48 HG22 THR 6 HG22 THR 6 -13.130 3.352 13.217 49 HG23 THR 6 HG23 THR 6 -12.599 4.762 14.132 50 H VAL 7 HN VAL 7 -13.650 1.427 13.903 51 HA VAL 7 HA VAL 7 -13.619 -0.751 12.105 52 HB VAL 7 HB VAL 7 -15.699 1.386 12.590 53 HG11 VAL 7 HG11 VAL 7 -15.687 -1.052 10.814 54 HG12 VAL 7 HG12 VAL 7 -16.276 0.570 10.465 55 HG13 VAL 7 HG13 VAL 7 -17.194 -0.485 11.537 56 HG21 VAL 7 HG21 VAL 7 -15.288 -1.446 13.593 57 HG22 VAL 7 HG22 VAL 7 -16.806 -0.567 13.784 58 HG23 VAL 7 HG23 VAL 7 -15.334 0.033 14.549 59 H GLN 8 HN GLN 8 -13.739 2.751 11.590 60 HA GLN 8 HA GLN 8 -14.120 2.789 8.835 61 HB2 GLN 8 HB2 GLN 8 -12.513 4.649 10.598 62 HB3 GLN 8 HB1 GLN 8 -12.910 4.986 8.913 63 HG2 GLN 8 HG2 GLN 8 -15.303 4.850 9.421 64 HG3 GLN 8 HG1 GLN 8 -14.940 4.442 11.098 65 HE21 GLN 8 HE21 GLN 8 -15.856 7.017 9.215 66 HE22 GLN 8 HE22 GLN 8 -15.202 8.284 10.136 67 H GLU 9 HN GLU 9 -11.117 2.436 10.687 68 HA GLU 9 HA GLU 9 -9.381 2.478 8.428 69 HB2 GLU 9 HB2 GLU 9 -8.628 2.919 10.747 70 HB3 GLU 9 HB1 GLU 9 -8.926 1.226 11.147 71 HG2 GLU 9 HG2 GLU 9 -7.297 0.513 9.460 72 HG3 GLU 9 HG1 GLU 9 -7.033 2.188 8.982 73 H LEU 10 HN LEU 10 -11.166 -0.037 10.085 74 HA LEU 10 HA LEU 10 -9.850 -2.253 8.887 75 HB2 LEU 10 HB2 LEU 10 -12.472 -1.875 10.305 76 HB3 LEU 10 HB1 LEU 10 -12.085 -3.419 9.547 77 HG LEU 10 HG LEU 10 -10.096 -2.109 11.402 78 HD11 LEU 10 HD11 LEU 10 -11.162 -3.696 13.179 79 HD12 LEU 10 HD12 LEU 10 -12.598 -3.610 12.158 80 HD13 LEU 10 HD13 LEU 10 -11.928 -2.141 12.867 81 HD21 LEU 10 HD21 LEU 10 -9.556 -4.549 11.835 82 HD22 LEU 10 HD22 LEU 10 -9.264 -4.034 10.180 83 HD23 LEU 10 HD23 LEU 10 -10.707 -4.970 10.569 84 H LYS 11 HN LYS 11 -12.111 0.002 7.706 85 HA LYS 11 HA LYS 11 -13.589 -1.481 5.881 86 HB2 LYS 11 HB2 LYS 11 -12.483 1.324 5.650 87 HB3 LYS 11 HB1 LYS 11 -13.708 0.655 4.579 88 HG2 LYS 11 HG2 LYS 11 -14.116 0.632 7.570 89 HG3 LYS 11 HG1 LYS 11 -14.483 2.076 6.629 90 HD2 LYS 11 HD2 LYS 11 -15.997 0.739 5.189 91 HD3 LYS 11 HD1 LYS 11 -15.667 -0.684 6.174 92 HE2 LYS 11 HE2 LYS 11 -16.565 0.455 8.151 93 HE3 LYS 11 HE1 LYS 11 -16.881 1.899 7.185 94 HZ1 LYS 11 HZ1 LYS 11 -17.955 -0.473 6.004 95 HZ2 LYS 11 HZ2 LYS 11 -18.719 1.004 6.349 96 HZ3 LYS 11 HZ3 LYS 11 -18.591 -0.192 7.550 97 H GLU 12 HN GLU 12 -10.318 -0.166 5.598 98 HA GLU 12 HA GLU 12 -9.957 -0.792 2.865 99 HB2 GLU 12 HB2 GLU 12 -8.504 0.720 4.306 100 HB3 GLU 12 HB1 GLU 12 -7.786 -0.747 4.968 101 HG2 GLU 12 HG2 GLU 12 -7.901 -0.208 1.992 102 HG3 GLU 12 HG1 GLU 12 -6.551 0.313 2.997 103 H ARG 13 HN ARG 13 -9.307 -2.606 5.839 104 HA ARG 13 HA ARG 13 -8.121 -4.847 4.534 105 HB2 ARG 13 HB2 ARG 13 -9.402 -4.588 7.262 106 HB3 ARG 13 HB1 ARG 13 -8.464 -5.978 6.721 107 HG2 ARG 13 HG2 ARG 13 -7.305 -3.192 6.630 108 HG3 ARG 13 HG1 ARG 13 -7.235 -4.154 8.104 109 HD2 ARG 13 HD2 ARG 13 -6.139 -5.988 6.748 110 HD3 ARG 13 HD1 ARG 13 -6.055 -4.855 5.404 111 HE ARG 13 HE ARG 13 -4.869 -3.952 7.913 112 HH11 ARG 13 HH21 ARG 13 -4.489 -5.410 4.793 113 HH12 ARG 13 HH22 ARG 13 -2.795 -5.069 4.689 114 HH21 ARG 13 HH11 ARG 13 -2.649 -3.515 7.785 115 HH22 ARG 13 HH12 ARG 13 -1.753 -3.998 6.384 116 H ALA 14 HN ALA 14 -11.387 -4.004 5.487 117 HA ALA 14 HA ALA 14 -12.524 -6.572 5.009 118 HB1 ALA 14 HB1 ALA 14 -13.532 -4.681 6.384 119 HB2 ALA 14 HB2 ALA 14 -14.634 -5.502 5.280 120 HB3 ALA 14 HB3 ALA 14 -13.969 -3.927 4.851 121 H LYS 15 HN LYS 15 -11.282 -4.232 2.926 122 HA LYS 15 HA LYS 15 -12.991 -4.169 0.749 123 HB2 LYS 15 HB2 LYS 15 -10.753 -2.963 1.035 124 HB3 LYS 15 HB1 LYS 15 -9.996 -4.450 0.469 125 HG2 LYS 15 HG2 LYS 15 -11.229 -4.341 -1.619 126 HG3 LYS 15 HG1 LYS 15 -12.129 -2.934 -1.050 127 HD2 LYS 15 HD2 LYS 15 -10.066 -1.627 -0.925 128 HD3 LYS 15 HD1 LYS 15 -9.121 -3.039 -1.403 129 HE2 LYS 15 HE2 LYS 15 -9.504 -1.621 -3.348 130 HE3 LYS 15 HE1 LYS 15 -10.384 -3.136 -3.529 131 HZ1 LYS 15 HZ1 LYS 15 -12.399 -2.117 -3.057 132 HZ2 LYS 15 HZ2 LYS 15 -11.610 -0.969 -4.028 133 HZ3 LYS 15 HZ3 LYS 15 -11.673 -0.759 -2.343 134 H VAL 16 HN VAL 16 -11.560 -6.882 2.140 135 HA VAL 16 HA VAL 16 -11.296 -8.463 -0.268 136 HB VAL 16 HB VAL 16 -11.263 -9.213 2.665 137 HG11 VAL 16 HG11 VAL 16 -10.188 -11.342 1.688 138 HG12 VAL 16 HG12 VAL 16 -10.881 -10.841 0.145 139 HG13 VAL 16 HG13 VAL 16 -11.936 -11.184 1.516 140 HG21 VAL 16 HG21 VAL 16 -9.001 -9.139 0.652 141 HG22 VAL 16 HG22 VAL 16 -8.880 -9.300 2.404 142 HG23 VAL 16 HG23 VAL 16 -9.396 -7.772 1.693 143 H PHE 17 HN PHE 17 -12.794 -9.747 -1.188 144 HA PHE 17 HA PHE 17 -15.521 -9.670 -0.122 145 HB2 PHE 17 HB2 PHE 17 -14.436 -10.793 -2.717 146 HB3 PHE 17 HB1 PHE 17 -16.141 -10.644 -2.292 147 HD1 PHE 17 HD2 PHE 17 -17.181 -8.407 -2.019 148 HD2 PHE 17 HD1 PHE 17 -13.135 -8.872 -3.385 149 HE1 PHE 17 HE2 PHE 17 -17.185 -6.063 -2.827 150 HE2 PHE 17 HE1 PHE 17 -13.138 -6.528 -4.193 151 HZ PHE 17 HZ PHE 17 -15.164 -5.123 -3.914 152 H ALA 18 HN ALA 18 -16.192 -11.219 1.196 153 HA ALA 18 HA ALA 18 -16.102 -13.959 0.626 154 HB1 ALA 18 HB1 ALA 18 -13.867 -12.940 2.366 155 HB2 ALA 18 HB2 ALA 18 -13.796 -14.105 1.045 156 HB3 ALA 18 HB3 ALA 18 -14.507 -14.570 2.589 157 H LYS 19 HN LYS 19 -18.250 -12.830 1.294 158 HA LYS 19 HA LYS 19 -18.620 -12.467 4.126 159 HB2 LYS 19 HB2 LYS 19 -19.907 -11.317 2.235 160 HB3 LYS 19 HB1 LYS 19 -20.836 -12.815 2.131 161 HG2 LYS 19 HG2 LYS 19 -22.158 -11.883 3.770 162 HG3 LYS 19 HG1 LYS 19 -20.866 -12.350 4.870 163 HD2 LYS 19 HD2 LYS 19 -20.988 -9.676 3.448 164 HD3 LYS 19 HD1 LYS 19 -21.601 -9.945 5.074 165 HE2 LYS 19 HE2 LYS 19 -19.424 -9.095 5.412 166 HE3 LYS 19 HE1 LYS 19 -19.235 -10.835 5.617 167 HZ1 LYS 19 HZ1 LYS 19 -18.475 -10.988 3.331 168 HZ2 LYS 19 HZ2 LYS 19 -17.519 -9.873 4.183 169 HZ3 LYS 19 HZ3 LYS 19 -18.716 -9.330 3.107 170 HA PRO 20 HA PRO 20 -19.314 -16.917 4.632 171 HB2 PRO 20 HB2 PRO 20 -19.345 -16.978 7.359 172 HB3 PRO 20 HB1 PRO 20 -17.844 -16.829 6.422 173 HG2 PRO 20 HG2 PRO 20 -19.401 -14.725 7.851 174 HG3 PRO 20 HG1 PRO 20 -17.645 -14.935 7.716 175 HD2 PRO 20 HD2 PRO 20 -19.106 -13.142 6.193 176 HD3 PRO 20 HD1 PRO 20 -17.541 -13.819 5.689 177 H ILE 21 HN ILE 21 -20.988 -18.291 5.611 178 HA ILE 21 HA ILE 21 -23.591 -17.330 5.161 179 HB ILE 21 HB ILE 21 -22.893 -19.696 6.901 180 HG12 ILE 21 HG12 ILE 21 -21.530 -19.902 4.914 181 HG13 ILE 21 HG11 ILE 21 -22.912 -20.984 4.731 182 HG21 ILE 21 HG21 ILE 21 -24.988 -20.586 6.002 183 HG22 ILE 21 HG22 ILE 21 -25.176 -19.162 4.978 184 HG23 ILE 21 HG23 ILE 21 -25.278 -19.007 6.732 185 HD11 ILE 21 HD11 ILE 21 -24.042 -18.994 3.501 186 HD12 ILE 21 HD12 ILE 21 -22.782 -19.880 2.644 187 HD13 ILE 21 HD13 ILE 21 -22.414 -18.325 3.391 188 H GLY 22 HN GLY 22 -25.222 -16.695 6.535 189 HA2 GLY 22 HA2 GLY 22 -26.249 -16.124 8.560 190 HA3 GLY 22 HA1 GLY 22 -24.758 -16.517 9.410 191 H ALA 23 HN ALA 23 -24.090 -14.745 10.448 192 HA ALA 23 HA ALA 23 -23.351 -12.388 8.980 193 HB1 ALA 23 HB1 ALA 23 -24.801 -10.834 10.285 194 HB2 ALA 23 HB2 ALA 23 -25.662 -12.233 10.928 195 HB3 ALA 23 HB3 ALA 23 -25.715 -11.882 9.200 196 H SER 24 HN SER 24 -21.797 -14.091 10.429 197 HA SER 24 HA SER 24 -21.455 -13.149 13.142 198 HB2 SER 24 HB2 SER 24 -19.874 -15.025 11.382 199 HB3 SER 24 HB1 SER 24 -19.366 -14.591 13.011 200 HG SER 24 HG SER 24 -21.525 -15.294 13.663 201 H TYR 25 HN TYR 25 -20.446 -12.140 10.048 202 HA TYR 25 HA TYR 25 -17.927 -10.988 10.739 203 HB2 TYR 25 HB2 TYR 25 -18.520 -11.497 8.412 204 HB3 TYR 25 HB1 TYR 25 -19.822 -10.309 8.478 205 HD1 TYR 25 HD1 TYR 25 -16.140 -10.756 8.638 206 HD2 TYR 25 HD2 TYR 25 -19.381 -7.958 8.288 207 HE1 TYR 25 HE1 TYR 25 -14.528 -8.962 8.055 208 HE2 TYR 25 HE2 TYR 25 -17.769 -6.165 7.705 209 HH TYR 25 HH TYR 25 -14.387 -6.537 8.094 210 H GLN 26 HN GLN 26 -21.251 -9.787 10.631 211 HA GLN 26 HA GLN 26 -20.663 -7.064 11.097 212 HB2 GLN 26 HB2 GLN 26 -22.883 -8.051 10.335 213 HB3 GLN 26 HB1 GLN 26 -23.156 -8.505 12.015 214 HG2 GLN 26 HG2 GLN 26 -22.495 -5.664 11.203 215 HG3 GLN 26 HG1 GLN 26 -24.150 -6.264 11.280 216 HE21 GLN 26 HE21 GLN 26 -24.514 -7.575 13.524 217 HE22 GLN 26 HE22 GLN 26 -23.964 -6.745 14.898 218 H GLY 27 HN GLY 27 -21.152 -9.801 13.266 219 HA2 GLY 27 HA2 GLY 27 -21.366 -8.410 15.696 220 HA3 GLY 27 HA1 GLY 27 -20.764 -10.056 15.520 221 H ILE 28 HN ILE 28 -18.607 -9.157 13.689 222 HA ILE 28 HA ILE 28 -16.584 -8.722 15.645 223 HB ILE 28 HB ILE 28 -16.428 -8.433 12.636 224 HG12 ILE 28 HG12 ILE 28 -15.738 -10.799 14.405 225 HG13 ILE 28 HG11 ILE 28 -17.241 -10.661 13.492 226 HG21 ILE 28 HG21 ILE 28 -14.317 -8.783 14.788 227 HG22 ILE 28 HG22 ILE 28 -14.529 -7.381 13.740 228 HG23 ILE 28 HG23 ILE 28 -14.001 -8.918 13.058 229 HD11 ILE 28 HD11 ILE 28 -15.786 -10.321 11.417 230 HD12 ILE 28 HD12 ILE 28 -15.765 -11.938 12.116 231 HD13 ILE 28 HD13 ILE 28 -14.422 -10.834 12.411 232 H LEU 29 HN LEU 29 -18.565 -6.622 13.731 233 HA LEU 29 HA LEU 29 -16.842 -4.293 14.148 234 HB2 LEU 29 HB2 LEU 29 -19.485 -4.686 12.743 235 HB3 LEU 29 HB1 LEU 29 -18.697 -3.115 12.904 236 HG LEU 29 HG LEU 29 -17.372 -5.552 11.677 237 HD11 LEU 29 HD11 LEU 29 -19.329 -4.845 10.348 238 HD12 LEU 29 HD12 LEU 29 -17.821 -4.518 9.496 239 HD13 LEU 29 HD13 LEU 29 -18.688 -3.202 10.287 240 HD21 LEU 29 HD21 LEU 29 -15.588 -4.170 12.210 241 HD22 LEU 29 HD22 LEU 29 -16.561 -2.706 12.131 242 HD23 LEU 29 HD23 LEU 29 -16.014 -3.480 10.645 243 H ASP 30 HN ASP 30 -19.985 -5.542 15.185 244 HA ASP 30 HA ASP 30 -20.793 -3.300 16.682 245 HB2 ASP 30 HB2 ASP 30 -22.315 -5.130 16.081 246 HB3 ASP 30 HB1 ASP 30 -21.426 -6.221 17.142 247 H GLN 31 HN GLN 31 -18.948 -6.190 17.617 248 HA GLN 31 HA GLN 31 -18.737 -5.551 20.366 249 HB2 GLN 31 HB2 GLN 31 -17.227 -7.359 18.497 250 HB3 GLN 31 HB1 GLN 31 -16.626 -7.087 20.133 251 HG2 GLN 31 HG2 GLN 31 -18.071 -9.067 20.076 252 HG3 GLN 31 HG1 GLN 31 -18.807 -7.792 21.047 253 HE21 GLN 31 HE21 GLN 31 -19.400 -9.952 18.483 254 HE22 GLN 31 HE22 GLN 31 -20.797 -9.209 17.867 255 H LEU 32 HN LEU 32 -16.819 -4.665 17.556 256 HA LEU 32 HA LEU 32 -14.573 -3.633 18.896 257 HB2 LEU 32 HB2 LEU 32 -15.828 -3.159 16.214 258 HB3 LEU 32 HB1 LEU 32 -14.515 -2.107 16.739 259 HG LEU 32 HG LEU 32 -14.353 -5.140 16.715 260 HD11 LEU 32 HD11 LEU 32 -12.816 -4.674 14.703 261 HD12 LEU 32 HD12 LEU 32 -13.578 -3.084 14.641 262 HD13 LEU 32 HD13 LEU 32 -14.551 -4.540 14.432 263 HD21 LEU 32 HD21 LEU 32 -12.605 -4.581 18.115 264 HD22 LEU 32 HD22 LEU 32 -12.491 -2.932 17.501 265 HD23 LEU 32 HD23 LEU 32 -11.783 -4.261 16.591 266 H ASP 33 HN ASP 33 -17.746 -2.287 18.271 267 HA ASP 33 HA ASP 33 -17.051 0.381 19.041 268 HB2 ASP 33 HB2 ASP 33 -19.680 -1.061 18.765 269 HB3 ASP 33 HB1 ASP 33 -19.558 0.634 19.234 270 H LEU 34 HN LEU 34 -18.696 -2.310 20.681 271 HA LEU 34 HA LEU 34 -19.072 -0.972 23.154 272 HB2 LEU 34 HB2 LEU 34 -19.201 -3.822 22.235 273 HB3 LEU 34 HB1 LEU 34 -19.190 -3.496 23.969 274 HG LEU 34 HG LEU 34 -21.124 -1.999 23.707 275 HD11 LEU 34 HD11 LEU 34 -20.917 -2.806 20.796 276 HD12 LEU 34 HD12 LEU 34 -20.739 -1.181 21.457 277 HD13 LEU 34 HD13 LEU 34 -22.308 -1.983 21.497 278 HD21 LEU 34 HD21 LEU 34 -21.388 -4.772 22.516 279 HD22 LEU 34 HD22 LEU 34 -22.774 -3.775 22.958 280 HD23 LEU 34 HD23 LEU 34 -21.635 -4.299 24.197 281 H VAL 35 HN VAL 35 -16.516 -3.138 21.995 282 HA VAL 35 HA VAL 35 -15.147 -3.528 24.366 283 HB VAL 35 HB VAL 35 -14.698 -4.413 21.930 284 HG11 VAL 35 HG11 VAL 35 -12.509 -2.337 22.018 285 HG12 VAL 35 HG12 VAL 35 -14.052 -1.967 21.269 286 HG13 VAL 35 HG13 VAL 35 -13.078 -3.293 20.648 287 HG21 VAL 35 HG21 VAL 35 -12.412 -5.058 22.613 288 HG22 VAL 35 HG22 VAL 35 -13.543 -5.206 23.959 289 HG23 VAL 35 HG23 VAL 35 -12.445 -3.829 23.879 290 H HIS 36 HN HIS 36 -15.415 -0.669 22.422 291 HA HIS 36 HA HIS 36 -13.136 0.674 23.588 292 HB2 HIS 36 HB2 HIS 36 -13.868 1.185 21.296 293 HB3 HIS 36 HB1 HIS 36 -15.414 1.762 21.919 294 HD2 HIS 36 HD2 HIS 36 -15.370 4.466 22.464 295 HE1 HIS 36 HE1 HIS 36 -11.197 4.923 22.922 296 HE2 HIS 36 HE2 HIS 36 -13.421 6.150 22.898 297 H GLN 37 HN GLN 37 -16.667 0.834 23.905 298 HA GLN 37 HA GLN 37 -16.505 2.835 26.009 299 HB2 GLN 37 HB2 GLN 37 -18.823 1.299 24.817 300 HB3 GLN 37 HB1 GLN 37 -18.990 2.515 26.084 301 HG2 GLN 37 HG2 GLN 37 -17.997 4.214 24.634 302 HG3 GLN 37 HG1 GLN 37 -17.724 3.011 23.376 303 HE21 GLN 37 HE21 GLN 37 -19.556 5.511 23.527 304 HE22 GLN 37 HE22 GLN 37 -21.069 4.920 23.038 305 H ALA 38 HN ALA 38 -16.337 -0.551 25.784 306 HA ALA 38 HA ALA 38 -17.517 -1.182 28.333 307 HB1 ALA 38 HB1 ALA 38 -17.533 -2.959 26.784 308 HB2 ALA 38 HB2 ALA 38 -16.255 -3.393 27.921 309 HB3 ALA 38 HB3 ALA 38 -15.845 -2.704 26.357 310 H LYS 39 HN LYS 39 -16.265 -2.205 30.082 311 HA LYS 39 HA LYS 39 -13.453 -1.695 30.298 312 HB2 LYS 39 HB2 LYS 39 -14.540 0.588 30.657 313 HB3 LYS 39 HB1 LYS 39 -15.204 -0.080 32.147 314 HG2 LYS 39 HG2 LYS 39 -13.214 0.827 32.953 315 HG3 LYS 39 HG1 LYS 39 -12.680 -0.808 32.575 316 HD2 LYS 39 HD2 LYS 39 -11.846 -0.036 30.385 317 HD3 LYS 39 HD1 LYS 39 -12.406 1.596 30.745 318 HE2 LYS 39 HE2 LYS 39 -10.901 1.692 32.692 319 HE3 LYS 39 HE1 LYS 39 -10.344 0.054 32.345 320 HZ1 LYS 39 HZ1 LYS 39 -8.766 1.291 31.279 321 HZ2 LYS 39 HZ2 LYS 39 -9.842 2.542 30.873 322 HZ3 LYS 39 HZ3 LYS 39 -9.875 1.076 30.015 323 H GLY 40 HN GLY 40 -12.537 -2.889 31.911 324 HA2 GLY 40 HA2 GLY 40 -12.386 -4.256 33.782 325 HA3 GLY 40 HA1 GLY 40 -14.062 -3.867 34.156 326 H ARG 41 HN ARG 41 -15.251 -5.658 34.228 327 HA ARG 41 HA ARG 41 -14.537 -8.125 33.067 328 HB2 ARG 41 HB2 ARG 41 -16.745 -8.880 33.728 329 HB3 ARG 41 HB1 ARG 41 -16.085 -7.854 35.001 330 HG2 ARG 41 HG2 ARG 41 -17.338 -5.915 33.990 331 HG3 ARG 41 HG1 ARG 41 -18.112 -7.056 32.890 332 HD2 ARG 41 HD2 ARG 41 -18.217 -7.234 35.909 333 HD3 ARG 41 HD1 ARG 41 -19.498 -6.576 34.896 334 HE ARG 41 HE ARG 41 -18.806 -9.387 35.210 335 HH11 ARG 41 HH21 ARG 41 -20.404 -6.939 33.361 336 HH12 ARG 41 HH22 ARG 41 -21.499 -8.038 32.592 337 HH21 ARG 41 HH11 ARG 41 -20.239 -10.838 34.206 338 HH22 ARG 41 HH12 ARG 41 -21.406 -10.247 33.070 339 H ASP 42 HN ASP 42 -16.597 -5.495 31.943 340 HA ASP 42 HA ASP 42 -17.789 -6.834 29.764 341 HB2 ASP 42 HB2 ASP 42 -17.195 -3.916 30.276 342 HB3 ASP 42 HB1 ASP 42 -18.074 -4.480 28.855 343 H GLN 43 HN GLN 43 -14.755 -5.030 30.065 344 HA GLN 43 HA GLN 43 -14.094 -5.078 27.303 345 HB2 GLN 43 HB2 GLN 43 -12.809 -4.302 29.830 346 HB3 GLN 43 HB1 GLN 43 -11.662 -4.972 28.677 347 HG2 GLN 43 HG2 GLN 43 -13.651 -2.834 27.910 348 HG3 GLN 43 HG1 GLN 43 -12.059 -2.444 28.559 349 HE21 GLN 43 HE21 GLN 43 -11.684 -1.455 26.336 350 HE22 GLN 43 HE22 GLN 43 -11.207 -2.483 25.073 351 H ILE 44 HN ILE 44 -13.263 -7.195 30.015 352 HA ILE 44 HA ILE 44 -11.552 -8.916 28.562 353 HB ILE 44 HB ILE 44 -13.170 -9.374 31.077 354 HG12 ILE 44 HG12 ILE 44 -10.192 -8.952 30.710 355 HG13 ILE 44 HG11 ILE 44 -11.315 -7.628 31.045 356 HG21 ILE 44 HG21 ILE 44 -12.740 -11.548 30.189 357 HG22 ILE 44 HG22 ILE 44 -11.465 -11.269 31.374 358 HG23 ILE 44 HG23 ILE 44 -11.123 -11.088 29.654 359 HD11 ILE 44 HD11 ILE 44 -10.911 -10.081 32.782 360 HD12 ILE 44 HD12 ILE 44 -12.039 -8.767 33.112 361 HD13 ILE 44 HD13 ILE 44 -10.302 -8.464 33.132 362 H ALA 45 HN ALA 45 -15.016 -9.056 29.312 363 HA ALA 45 HA ALA 45 -15.558 -11.574 28.215 364 HB1 ALA 45 HB1 ALA 45 -17.855 -10.925 28.219 365 HB2 ALA 45 HB2 ALA 45 -17.440 -9.213 28.134 366 HB3 ALA 45 HB3 ALA 45 -17.112 -10.128 29.606 367 H ALA 46 HN ALA 46 -15.474 -8.368 26.696 368 HA ALA 46 HA ALA 46 -16.413 -9.161 24.153 369 HB1 ALA 46 HB1 ALA 46 -14.732 -6.847 25.108 370 HB2 ALA 46 HB2 ALA 46 -16.432 -6.841 24.639 371 HB3 ALA 46 HB3 ALA 46 -15.181 -7.044 23.413 372 H SER 47 HN SER 47 -13.178 -8.962 25.561 373 HA SER 47 HA SER 47 -11.739 -9.511 23.215 374 HB2 SER 47 HB2 SER 47 -9.879 -10.051 24.663 375 HB3 SER 47 HB1 SER 47 -10.738 -8.669 25.337 376 HG SER 47 HG SER 47 -10.590 -11.317 26.218 377 H PHE 48 HN PHE 48 -13.411 -11.587 25.472 378 HA PHE 48 HA PHE 48 -12.252 -14.057 24.812 379 HB2 PHE 48 HB2 PHE 48 -13.804 -13.640 26.726 380 HB3 PHE 48 HB1 PHE 48 -15.135 -13.551 25.573 381 HD1 PHE 48 HD2 PHE 48 -12.296 -15.773 26.589 382 HD2 PHE 48 HD1 PHE 48 -16.259 -15.522 24.947 383 HE1 PHE 48 HE2 PHE 48 -12.456 -18.247 26.597 384 HE2 PHE 48 HE1 PHE 48 -16.417 -17.998 24.959 385 HZ PHE 48 HZ PHE 48 -14.515 -19.359 25.784 386 H GLU 49 HN GLU 49 -15.030 -12.353 23.386 387 HA GLU 49 HA GLU 49 -15.676 -14.390 21.516 388 HB2 GLU 49 HB2 GLU 49 -16.254 -11.427 21.619 389 HB3 GLU 49 HB1 GLU 49 -16.846 -12.459 20.318 390 HG2 GLU 49 HG2 GLU 49 -18.611 -12.398 21.906 391 HG3 GLU 49 HG1 GLU 49 -17.827 -13.952 22.172 392 H LEU 50 HN LEU 50 -13.896 -11.323 21.111 393 HA LEU 50 HA LEU 50 -13.195 -11.756 18.413 394 HB2 LEU 50 HB2 LEU 50 -12.129 -10.029 20.622 395 HB3 LEU 50 HB1 LEU 50 -11.259 -10.116 19.090 396 HG LEU 50 HG LEU 50 -12.950 -8.246 19.233 397 HD11 LEU 50 HD11 LEU 50 -13.427 -8.366 16.982 398 HD12 LEU 50 HD12 LEU 50 -13.983 -10.038 17.067 399 HD13 LEU 50 HD13 LEU 50 -12.255 -9.681 17.053 400 HD21 LEU 50 HD21 LEU 50 -15.021 -10.446 19.010 401 HD22 LEU 50 HD22 LEU 50 -15.287 -8.726 19.262 402 HD23 LEU 50 HD23 LEU 50 -14.590 -9.701 20.551 403 H ASN 51 HN ASN 51 -11.511 -12.543 21.432 404 HA ASN 51 HA ASN 51 -9.127 -13.462 20.263 405 HB2 ASN 51 HB2 ASN 51 -10.517 -14.192 22.842 406 HB3 ASN 51 HB1 ASN 51 -8.915 -14.785 22.408 407 HD21 ASN 51 HD21 ASN 51 -9.185 -13.160 24.697 408 HD22 ASN 51 HD22 ASN 51 -8.486 -11.643 24.393 409 H LYS 52 HN LYS 52 -12.109 -15.182 21.153 410 HA LYS 52 HA LYS 52 -11.211 -17.745 20.312 411 HB2 LYS 52 HB2 LYS 52 -13.127 -17.317 21.860 412 HB3 LYS 52 HB1 LYS 52 -14.064 -16.760 20.473 413 HG2 LYS 52 HG2 LYS 52 -13.592 -18.996 19.375 414 HG3 LYS 52 HG1 LYS 52 -12.896 -19.525 20.904 415 HD2 LYS 52 HD2 LYS 52 -15.715 -18.459 20.601 416 HD3 LYS 52 HD1 LYS 52 -15.305 -20.173 20.614 417 HE2 LYS 52 HE2 LYS 52 -14.145 -19.694 22.870 418 HE3 LYS 52 HE1 LYS 52 -15.023 -18.165 22.850 419 HZ1 LYS 52 HZ1 LYS 52 -16.123 -20.123 23.994 420 HZ2 LYS 52 HZ2 LYS 52 -16.398 -20.745 22.437 421 HZ3 LYS 52 HZ3 LYS 52 -17.064 -19.248 22.887 422 H LYS 53 HN LYS 53 -13.236 -15.269 18.748 423 HA LYS 53 HA LYS 53 -13.718 -16.695 16.363 424 HB2 LYS 53 HB2 LYS 53 -13.682 -13.737 16.978 425 HB3 LYS 53 HB1 LYS 53 -14.159 -14.384 15.411 426 HG2 LYS 53 HG2 LYS 53 -15.935 -15.691 16.460 427 HG3 LYS 53 HG1 LYS 53 -15.445 -15.121 18.054 428 HD2 LYS 53 HD2 LYS 53 -15.897 -12.781 17.327 429 HD3 LYS 53 HD1 LYS 53 -16.463 -13.399 15.774 430 HE2 LYS 53 HE2 LYS 53 -18.187 -14.726 16.944 431 HE3 LYS 53 HE1 LYS 53 -17.635 -14.064 18.483 432 HZ1 LYS 53 HZ1 LYS 53 -18.115 -11.991 16.609 433 HZ2 LYS 53 HZ2 LYS 53 -18.802 -12.230 18.144 434 HZ3 LYS 53 HZ3 LYS 53 -19.497 -12.960 16.776 435 H ILE 54 HN ILE 54 -11.234 -14.270 17.174 436 HA ILE 54 HA ILE 54 -9.967 -14.353 14.627 437 HB ILE 54 HB ILE 54 -8.988 -13.470 17.350 438 HG12 ILE 54 HG12 ILE 54 -9.733 -11.840 14.905 439 HG13 ILE 54 HG11 ILE 54 -10.876 -12.217 16.194 440 HG21 ILE 54 HG21 ILE 54 -7.250 -12.243 15.855 441 HG22 ILE 54 HG22 ILE 54 -7.649 -13.459 14.645 442 HG23 ILE 54 HG23 ILE 54 -6.985 -13.952 16.202 443 HD11 ILE 54 HD11 ILE 54 -8.226 -10.791 16.594 444 HD12 ILE 54 HD12 ILE 54 -9.439 -11.105 17.836 445 HD13 ILE 54 HD13 ILE 54 -9.797 -9.992 16.516 446 H ASN 55 HN ASN 55 -9.296 -15.967 17.727 447 HA ASN 55 HA ASN 55 -6.960 -17.308 16.891 448 HB2 ASN 55 HB2 ASN 55 -7.543 -17.093 19.248 449 HB3 ASN 55 HB1 ASN 55 -8.989 -18.071 19.004 450 HD21 ASN 55 HD21 ASN 55 -5.406 -18.238 18.788 451 HD22 ASN 55 HD22 ASN 55 -5.320 -19.911 19.061 452 H ASP 56 HN ASP 56 -10.364 -18.314 16.942 453 HA ASP 56 HA ASP 56 -9.923 -20.925 15.920 454 HB2 ASP 56 HB2 ASP 56 -12.003 -20.089 17.107 455 HB3 ASP 56 HB1 ASP 56 -12.443 -19.293 15.596 456 H TYR 57 HN TYR 57 -10.588 -17.810 14.404 457 HA TYR 57 HA TYR 57 -11.100 -18.685 11.795 458 HB2 TYR 57 HB2 TYR 57 -11.445 -16.363 12.546 459 HB3 TYR 57 HB1 TYR 57 -9.699 -16.149 12.676 460 HD1 TYR 57 HD1 TYR 57 -12.379 -17.110 10.254 461 HD2 TYR 57 HD2 TYR 57 -8.443 -15.472 10.790 462 HE1 TYR 57 HE1 TYR 57 -12.281 -16.555 7.839 463 HE2 TYR 57 HE2 TYR 57 -8.349 -14.916 8.374 464 HH TYR 57 HH TYR 57 -9.499 -14.814 6.467 465 H ILE 58 HN ILE 58 -8.026 -17.919 13.402 466 HA ILE 58 HA ILE 58 -6.360 -18.273 11.148 467 HB ILE 58 HB ILE 58 -5.813 -18.582 14.108 468 HG12 ILE 58 HG12 ILE 58 -4.980 -16.381 12.206 469 HG13 ILE 58 HG11 ILE 58 -6.499 -16.320 13.111 470 HG21 ILE 58 HG21 ILE 58 -3.977 -18.673 11.705 471 HG22 ILE 58 HG22 ILE 58 -4.099 -19.838 13.023 472 HG23 ILE 58 HG23 ILE 58 -3.392 -18.248 13.314 473 HD11 ILE 58 HD11 ILE 58 -4.559 -15.145 14.234 474 HD12 ILE 58 HD12 ILE 58 -3.792 -16.723 14.413 475 HD13 ILE 58 HD13 ILE 58 -5.326 -16.392 15.218 476 H ALA 59 HN ALA 59 -7.406 -20.524 13.698 477 HA ALA 59 HA ALA 59 -5.896 -22.745 12.828 478 HB1 ALA 59 HB1 ALA 59 -8.490 -22.584 14.372 479 HB2 ALA 59 HB2 ALA 59 -6.862 -22.749 15.032 480 HB3 ALA 59 HB3 ALA 59 -7.584 -24.077 14.122 481 H GLU 60 HN GLU 60 -9.117 -21.584 11.966 482 HA GLU 60 HA GLU 60 -9.810 -23.847 10.366 483 HB2 GLU 60 HB2 GLU 60 -10.896 -21.030 10.488 484 HB3 GLU 60 HB1 GLU 60 -11.581 -22.295 9.467 485 HG2 GLU 60 HG2 GLU 60 -12.002 -23.696 11.422 486 HG3 GLU 60 HG1 GLU 60 -11.239 -22.505 12.470 487 H HIS 61 HN HIS 61 -8.398 -20.669 9.677 488 HA HIS 61 HA HIS 61 -7.552 -21.675 7.030 489 HB2 HIS 61 HB2 HIS 61 -8.526 -18.849 7.378 490 HB3 HIS 61 HB1 HIS 61 -8.306 -19.773 5.890 491 HD2 HIS 61 HD2 HIS 61 -11.042 -19.156 8.565 492 HE1 HIS 61 HE1 HIS 61 -12.488 -22.157 5.971 493 HE2 HIS 61 HE2 HIS 61 -13.114 -20.580 7.860 494 HA PRO 62 HA PRO 62 -4.163 -19.554 9.425 495 HB2 PRO 62 HB2 PRO 62 -2.405 -21.651 9.502 496 HB3 PRO 62 HB1 PRO 62 -3.671 -21.410 10.720 497 HG2 PRO 62 HG2 PRO 62 -3.598 -23.295 8.415 498 HG3 PRO 62 HG1 PRO 62 -4.283 -23.517 10.035 499 HD2 PRO 62 HD2 PRO 62 -5.779 -22.917 7.769 500 HD3 PRO 62 HD1 PRO 62 -6.316 -22.599 9.430 501 H THR 63 HN THR 63 -4.488 -21.195 6.434 502 HA THR 63 HA THR 63 -1.902 -20.228 5.408 503 HB THR 63 HB THR 63 -2.315 -21.662 3.507 504 HG1 THR 63 HG1 THR 63 -4.236 -22.537 3.125 505 HG21 THR 63 HG21 THR 63 -3.090 -23.047 6.090 506 HG22 THR 63 HG22 THR 63 -1.441 -22.726 5.555 507 HG23 THR 63 HG23 THR 63 -2.462 -23.841 4.647 508 H SER 64 HN SER 64 -4.871 -18.976 5.831 509 HA SER 64 HA SER 64 -5.616 -17.955 3.315 510 HB2 SER 64 HB2 SER 64 -7.092 -17.891 5.282 511 HB3 SER 64 HB1 SER 64 -6.020 -16.728 6.052 512 HG SER 64 HG SER 64 -7.382 -15.414 5.059 513 H GLY 65 HN GLY 65 -3.509 -16.632 5.849 514 HA2 GLY 65 HA2 GLY 65 -1.625 -15.271 5.528 515 HA3 GLY 65 HA1 GLY 65 -2.124 -14.999 3.861 516 H ARG 66 HN ARG 66 -4.892 -14.351 4.698 517 HA ARG 66 HA ARG 66 -4.469 -11.528 5.150 518 HB2 ARG 66 HB2 ARG 66 -6.257 -12.628 3.646 519 HB3 ARG 66 HB1 ARG 66 -7.146 -12.908 5.141 520 HG2 ARG 66 HG2 ARG 66 -7.997 -10.817 4.575 521 HG3 ARG 66 HG1 ARG 66 -6.614 -10.315 5.545 522 HD2 ARG 66 HD2 ARG 66 -6.658 -9.050 3.451 523 HD3 ARG 66 HD1 ARG 66 -5.263 -10.126 3.461 524 HE ARG 66 HE ARG 66 -7.542 -11.360 2.240 525 HH11 ARG 66 HH21 ARG 66 -4.970 -9.093 1.795 526 HH12 ARG 66 HH22 ARG 66 -4.907 -9.291 0.076 527 HH21 ARG 66 HH11 ARG 66 -7.465 -11.631 -0.013 528 HH22 ARG 66 HH12 ARG 66 -6.321 -10.727 -0.949 529 H ASN 67 HN ASN 67 -5.073 -14.280 7.087 530 HA ASN 67 HA ASN 67 -6.520 -13.129 9.217 531 HB2 ASN 67 HB2 ASN 67 -5.824 -15.042 10.502 532 HB3 ASN 67 HB1 ASN 67 -6.157 -15.577 8.858 533 HD21 ASN 67 HD21 ASN 67 -4.564 -17.339 10.023 534 HD22 ASN 67 HD22 ASN 67 -2.927 -17.127 9.629 535 H GLN 68 HN GLN 68 -3.300 -12.689 8.180 536 HA GLN 68 HA GLN 68 -1.925 -12.196 10.558 537 HB2 GLN 68 HB2 GLN 68 -1.634 -11.357 7.712 538 HB3 GLN 68 HB1 GLN 68 -0.767 -10.381 8.897 539 HG2 GLN 68 HG2 GLN 68 0.635 -12.234 8.061 540 HG3 GLN 68 HG1 GLN 68 0.313 -12.405 9.785 541 HE21 GLN 68 HE21 GLN 68 0.001 -14.591 10.214 542 HE22 GLN 68 HE22 GLN 68 -0.932 -15.642 9.261 543 H ALA 69 HN ALA 69 -4.429 -10.384 9.019 544 HA ALA 69 HA ALA 69 -3.844 -7.924 10.456 545 HB1 ALA 69 HB1 ALA 69 -4.813 -7.623 8.305 546 HB2 ALA 69 HB2 ALA 69 -6.084 -7.237 9.466 547 HB3 ALA 69 HB3 ALA 69 -6.089 -8.794 8.637 548 H LEU 70 HN LEU 70 -6.247 -10.537 10.575 549 HA LEU 70 HA LEU 70 -7.789 -9.464 12.693 550 HB2 LEU 70 HB2 LEU 70 -7.444 -12.211 11.517 551 HB3 LEU 70 HB1 LEU 70 -8.394 -11.997 12.986 552 HG LEU 70 HG LEU 70 -9.813 -10.348 11.842 553 HD11 LEU 70 HD11 LEU 70 -7.925 -10.920 9.552 554 HD12 LEU 70 HD12 LEU 70 -8.316 -9.360 10.274 555 HD13 LEU 70 HD13 LEU 70 -9.521 -10.209 9.306 556 HD21 LEU 70 HD21 LEU 70 -10.971 -11.904 10.384 557 HD22 LEU 70 HD22 LEU 70 -10.317 -12.808 11.750 558 HD23 LEU 70 HD23 LEU 70 -9.508 -12.869 10.183 559 H THR 71 HN THR 71 -5.039 -11.700 12.656 560 HA THR 71 HA THR 71 -4.994 -12.389 15.353 561 HB THR 71 HB THR 71 -3.528 -13.212 13.359 562 HG1 THR 71 HG1 THR 71 -2.695 -12.852 16.028 563 HG21 THR 71 HG21 THR 71 -2.551 -10.795 13.179 564 HG22 THR 71 HG22 THR 71 -1.462 -12.167 12.993 565 HG23 THR 71 HG23 THR 71 -1.526 -11.290 14.522 566 H GLN 72 HN GLN 72 -4.067 -9.442 13.753 567 HA GLN 72 HA GLN 72 -2.437 -8.338 15.773 568 HB2 GLN 72 HB2 GLN 72 -2.622 -7.483 13.423 569 HB3 GLN 72 HB1 GLN 72 -4.203 -6.823 13.842 570 HG2 GLN 72 HG2 GLN 72 -3.171 -5.492 15.644 571 HG3 GLN 72 HG1 GLN 72 -1.590 -6.141 15.214 572 HE21 GLN 72 HE21 GLN 72 -0.544 -4.331 14.300 573 HE22 GLN 72 HE22 GLN 72 -1.171 -3.428 13.007 574 H LEU 73 HN LEU 73 -5.921 -8.236 15.194 575 HA LEU 73 HA LEU 73 -6.572 -6.392 17.232 576 HB2 LEU 73 HB2 LEU 73 -8.093 -8.508 15.742 577 HB3 LEU 73 HB1 LEU 73 -8.857 -7.651 17.080 578 HG LEU 73 HG LEU 73 -7.455 -6.053 14.943 579 HD11 LEU 73 HD11 LEU 73 -9.598 -5.957 13.682 580 HD12 LEU 73 HD12 LEU 73 -10.249 -7.215 14.730 581 HD13 LEU 73 HD13 LEU 73 -8.886 -7.568 13.668 582 HD21 LEU 73 HD21 LEU 73 -8.315 -4.908 16.954 583 HD22 LEU 73 HD22 LEU 73 -9.910 -5.599 16.671 584 HD23 LEU 73 HD23 LEU 73 -9.244 -4.426 15.536 585 H LYS 74 HN LYS 74 -6.344 -9.930 17.208 586 HA LYS 74 HA LYS 74 -7.352 -10.425 19.769 587 HB2 LYS 74 HB2 LYS 74 -6.861 -12.190 18.142 588 HB3 LYS 74 HB1 LYS 74 -5.135 -11.872 18.315 589 HG2 LYS 74 HG2 LYS 74 -5.179 -12.541 20.641 590 HG3 LYS 74 HG1 LYS 74 -6.936 -12.666 20.613 591 HD2 LYS 74 HD2 LYS 74 -6.048 -14.900 20.412 592 HD3 LYS 74 HD1 LYS 74 -6.711 -14.443 18.844 593 HE2 LYS 74 HE2 LYS 74 -4.561 -14.076 17.914 594 HE3 LYS 74 HE1 LYS 74 -3.792 -14.023 19.499 595 HZ1 LYS 74 HZ1 LYS 74 -5.039 -16.401 18.235 596 HZ2 LYS 74 HZ2 LYS 74 -4.351 -16.365 19.789 597 HZ3 LYS 74 HZ3 LYS 74 -3.376 -16.125 18.418 598 H GLU 75 HN GLU 75 -3.940 -9.992 18.804 599 HA GLU 75 HA GLU 75 -2.941 -10.023 21.467 600 HB2 GLU 75 HB2 GLU 75 -0.866 -9.124 20.452 601 HB3 GLU 75 HB1 GLU 75 -1.489 -10.527 19.583 602 HG2 GLU 75 HG2 GLU 75 -2.603 -9.005 17.976 603 HG3 GLU 75 HG1 GLU 75 -1.889 -7.626 18.808 604 H GLN 76 HN GLN 76 -4.079 -7.476 19.324 605 HA GLN 76 HA GLN 76 -3.085 -5.260 20.749 606 HB2 GLN 76 HB2 GLN 76 -4.032 -5.112 18.475 607 HB3 GLN 76 HB1 GLN 76 -5.627 -5.467 19.130 608 HG2 GLN 76 HG2 GLN 76 -4.022 -3.163 20.225 609 HG3 GLN 76 HG1 GLN 76 -4.955 -2.970 18.742 610 HE21 GLN 76 HE21 GLN 76 -7.356 -3.638 18.945 611 HE22 GLN 76 HE22 GLN 76 -8.127 -3.313 20.422 612 H VAL 77 HN VAL 77 -6.312 -6.811 20.899 613 HA VAL 77 HA VAL 77 -7.338 -5.192 22.952 614 HB VAL 77 HB VAL 77 -7.975 -8.046 22.178 615 HG11 VAL 77 HG11 VAL 77 -10.170 -7.513 23.372 616 HG12 VAL 77 HG12 VAL 77 -9.331 -6.141 24.098 617 HG13 VAL 77 HG13 VAL 77 -8.775 -7.784 24.415 618 HG21 VAL 77 HG21 VAL 77 -8.353 -6.261 20.462 619 HG22 VAL 77 HG22 VAL 77 -9.418 -5.440 21.604 620 HG23 VAL 77 HG23 VAL 77 -9.846 -7.038 20.989 621 H THR 78 HN THR 78 -5.758 -8.385 23.112 622 HA THR 78 HA THR 78 -5.860 -8.643 25.921 623 HB THR 78 HB THR 78 -4.084 -10.339 25.615 624 HG1 THR 78 HG1 THR 78 -4.044 -10.256 22.931 625 HG21 THR 78 HG21 THR 78 -5.357 -11.693 23.842 626 HG22 THR 78 HG22 THR 78 -6.415 -10.289 23.695 627 HG23 THR 78 HG23 THR 78 -6.287 -11.140 25.235 628 H SER 79 HN SER 79 -3.388 -7.313 23.758 629 HA SER 79 HA SER 79 -1.446 -6.801 25.754 630 HB2 SER 79 HB2 SER 79 -0.451 -5.280 24.078 631 HB3 SER 79 HB1 SER 79 -0.879 -6.838 23.376 632 HG SER 79 HG SER 79 -1.797 -4.358 22.791 633 H ALA 80 HN ALA 80 -4.136 -4.895 24.473 634 HA ALA 80 HA ALA 80 -3.514 -2.431 25.651 635 HB1 ALA 80 HB1 ALA 80 -5.962 -1.983 25.487 636 HB2 ALA 80 HB2 ALA 80 -6.203 -3.675 25.055 637 HB3 ALA 80 HB3 ALA 80 -5.271 -2.619 23.995 638 H LEU 81 HN LEU 81 -5.573 -5.059 26.892 639 HA LEU 81 HA LEU 81 -6.047 -3.817 29.412 640 HB2 LEU 81 HB2 LEU 81 -6.199 -6.761 28.735 641 HB3 LEU 81 HB1 LEU 81 -7.010 -5.931 30.064 642 HG LEU 81 HG LEU 81 -7.460 -5.360 27.120 643 HD11 LEU 81 HD11 LEU 81 -9.291 -6.717 29.125 644 HD12 LEU 81 HD12 LEU 81 -8.322 -7.582 27.931 645 HD13 LEU 81 HD13 LEU 81 -9.598 -6.484 27.404 646 HD21 LEU 81 HD21 LEU 81 -8.554 -4.184 29.680 647 HD22 LEU 81 HD22 LEU 81 -9.527 -4.169 28.209 648 HD23 LEU 81 HD23 LEU 81 -7.972 -3.349 28.238 649 H GLY 82 HN GLY 82 -3.537 -5.897 28.159 650 HA2 GLY 82 HA2 GLY 82 -1.511 -6.534 29.042 651 HA3 GLY 82 HA1 GLY 82 -1.733 -5.271 30.250 652 H LEU 83 HN LEU 83 -4.029 -7.878 29.784 653 HA LEU 83 HA LEU 83 -3.903 -8.623 32.540 654 HB2 LEU 83 HB2 LEU 83 -5.597 -10.210 32.007 655 HB3 LEU 83 HB1 LEU 83 -5.929 -8.755 31.070 656 HG LEU 83 HG LEU 83 -4.281 -10.158 29.332 657 HD11 LEU 83 HD11 LEU 83 -4.494 -12.100 31.014 658 HD12 LEU 83 HD12 LEU 83 -4.812 -12.460 29.317 659 HD13 LEU 83 HD13 LEU 83 -6.153 -12.249 30.445 660 HD21 LEU 83 HD21 LEU 83 -7.299 -10.141 29.593 661 HD22 LEU 83 HD22 LEU 83 -6.468 -10.824 28.195 662 HD23 LEU 83 HD23 LEU 83 -6.295 -9.110 28.575 663 H GLU 84 HN GLU 84 -2.211 -9.596 29.712 664 HA GLU 84 HA GLU 84 -0.596 -11.181 29.327 665 HB2 GLU 84 HB2 GLU 84 0.403 -10.129 31.344 666 HB3 GLU 84 HB1 GLU 84 -0.450 -11.301 32.349 667 HG2 GLU 84 HG2 GLU 84 0.716 -13.144 31.232 668 HG3 GLU 84 HG1 GLU 84 1.538 -12.001 30.170 669 H HIS 85 HN HIS 85 -1.002 -13.150 28.568 670 HA HIS 85 HA HIS 85 -3.147 -14.753 29.169 671 HB2 HIS 85 HB2 HIS 85 -1.521 -15.034 27.252 672 HB3 HIS 85 HB1 HIS 85 -0.440 -15.844 28.386 673 HD2 HIS 85 HD2 HIS 85 -3.617 -16.627 26.310 674 HE1 HIS 85 HE1 HIS 85 -2.922 -19.958 28.810 675 HE2 HIS 85 HE2 HIS 85 -4.286 -19.093 26.850 676 H HIS 86 HN HIS 86 -3.434 -16.662 30.408 677 HA HIS 86 HA HIS 86 -1.457 -17.330 32.452 678 HB2 HIS 86 HB2 HIS 86 -3.193 -17.104 34.263 679 HB3 HIS 86 HB1 HIS 86 -2.641 -15.570 33.591 680 HD2 HIS 86 HD2 HIS 86 -5.314 -14.588 34.359 681 HE1 HIS 86 HE1 HIS 86 -7.222 -16.522 31.127 682 HE2 HIS 86 HE2 HIS 86 -7.504 -14.775 32.949 683 H HIS 87 HN HIS 87 -1.929 -19.313 33.541 684 HA HIS 87 HA HIS 87 -3.093 -21.280 31.856 685 HB2 HIS 87 HB2 HIS 87 -2.136 -21.336 34.722 686 HB3 HIS 87 HB1 HIS 87 -2.780 -22.761 33.907 687 HD2 HIS 87 HD2 HIS 87 -1.017 -23.971 32.091 688 HE1 HIS 87 HE1 HIS 87 2.083 -21.123 32.403 689 HE2 HIS 87 HE2 HIS 87 1.440 -23.380 31.434 690 H HIS 88 HN HIS 88 -4.209 -19.609 34.767 691 HA HIS 88 HA HIS 88 -6.619 -21.147 35.015 692 HB2 HIS 88 HB2 HIS 88 -5.884 -18.448 36.175 693 HB3 HIS 88 HB1 HIS 88 -7.259 -19.437 36.668 694 HD2 HIS 88 HD2 HIS 88 -3.529 -19.086 37.493 695 HE1 HIS 88 HE1 HIS 88 -4.748 -22.796 39.095 696 HE2 HIS 88 HE2 HIS 88 -2.876 -21.081 39.046 697 H HIS 89 HN HIS 89 -8.585 -20.800 34.138 698 HA HIS 89 HA HIS 89 -8.860 -19.102 31.883 699 HB2 HIS 89 HB2 HIS 89 -10.887 -20.605 33.548 700 HB3 HIS 89 HB1 HIS 89 -11.306 -19.713 32.085 701 HD2 HIS 89 HD2 HIS 89 -9.861 -23.146 33.067 702 HE1 HIS 89 HE1 HIS 89 -9.255 -22.729 28.909 703 HE2 HIS 89 HE2 HIS 89 -9.174 -24.357 30.858 704 H HIS 90 HN HIS 90 -9.995 -18.847 35.237 705 HA HIS 90 HA HIS 90 -10.076 -15.960 35.034 706 HB2 HIS 90 HB2 HIS 90 -12.440 -15.741 35.639 707 HB3 HIS 90 HB1 HIS 90 -12.275 -16.581 34.097 708 HD2 HIS 90 HD2 HIS 90 -13.933 -17.156 37.489 709 HE1 HIS 90 HE1 HIS 90 -13.710 -20.950 35.652 710 HE2 HIS 90 HE2 HIS 90 -14.724 -19.643 37.579 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 1.153 -5.030 23.249 2 H2 MET 1 HT2 MET 1 0.853 -5.562 21.664 3 H3 MET 1 HT3 MET 1 -0.398 -4.870 22.582 4 HA MET 1 HA MET 1 0.760 -2.745 22.600 5 HB2 MET 1 HB2 MET 1 2.702 -2.598 20.923 6 HB3 MET 1 HB1 MET 1 3.043 -3.397 22.457 7 HG2 MET 1 HG2 MET 1 2.131 -4.963 20.040 8 HG3 MET 1 HG1 MET 1 3.832 -4.586 20.302 9 HE1 MET 1 HE1 MET 1 5.372 -6.069 21.590 10 HE2 MET 1 HE2 MET 1 4.980 -6.505 23.250 11 HE3 MET 1 HE3 MET 1 4.866 -4.823 22.740 12 H GLY 2 HN GLY 2 1.064 -1.422 20.392 13 HA2 GLY 2 HA2 GLY 2 0.256 -0.876 18.284 14 HA3 GLY 2 HA1 GLY 2 -0.380 -2.512 18.136 15 H GLN 3 HN GLN 3 -1.271 -1.119 21.067 16 HA GLN 3 HA GLN 3 -3.309 -0.467 21.910 17 HB2 GLN 3 HB2 GLN 3 -3.295 1.038 19.286 18 HB3 GLN 3 HB1 GLN 3 -4.490 1.293 20.559 19 HG2 GLN 3 HG2 GLN 3 -2.704 1.878 22.141 20 HG3 GLN 3 HG1 GLN 3 -1.491 1.587 20.896 21 HE21 GLN 3 HE21 GLN 3 -1.115 4.039 21.595 22 HE22 GLN 3 HE22 GLN 3 -1.943 5.188 20.661 23 H ILE 4 HN ILE 4 -5.767 -0.019 20.866 24 HA ILE 4 HA ILE 4 -6.562 -2.682 20.009 25 HB ILE 4 HB ILE 4 -8.157 -0.302 20.811 26 HG12 ILE 4 HG12 ILE 4 -7.743 -2.931 22.233 27 HG13 ILE 4 HG11 ILE 4 -6.791 -1.488 22.576 28 HG21 ILE 4 HG21 ILE 4 -10.027 -2.034 20.932 29 HG22 ILE 4 HG22 ILE 4 -8.966 -3.088 19.999 30 HG23 ILE 4 HG23 ILE 4 -9.523 -1.565 19.308 31 HD11 ILE 4 HD11 ILE 4 -8.654 -1.655 24.164 32 HD12 ILE 4 HD12 ILE 4 -9.804 -1.739 22.829 33 HD13 ILE 4 HD13 ILE 4 -8.886 -0.259 23.110 34 H PHE 5 HN PHE 5 -7.149 -3.228 17.994 35 HA PHE 5 HA PHE 5 -6.809 -1.379 15.845 36 HB2 PHE 5 HB2 PHE 5 -7.897 -4.193 16.006 37 HB3 PHE 5 HB1 PHE 5 -7.809 -3.301 14.488 38 HD1 PHE 5 HD2 PHE 5 -5.604 -2.552 13.599 39 HD2 PHE 5 HD1 PHE 5 -5.921 -5.068 17.066 40 HE1 PHE 5 HE2 PHE 5 -3.204 -3.141 13.390 41 HE2 PHE 5 HE1 PHE 5 -3.521 -5.655 16.858 42 HZ PHE 5 HZ PHE 5 -2.163 -4.693 15.020 43 H THR 6 HN THR 6 -8.215 0.048 15.086 44 HA THR 6 HA THR 6 -10.967 0.051 16.024 45 HB THR 6 HB THR 6 -11.000 2.153 14.461 46 HG1 THR 6 HG1 THR 6 -8.290 2.285 14.866 47 HG21 THR 6 HG21 THR 6 -9.722 3.439 16.241 48 HG22 THR 6 HG22 THR 6 -9.374 1.878 16.988 49 HG23 THR 6 HG23 THR 6 -11.047 2.422 16.817 50 H VAL 7 HN VAL 7 -12.741 0.458 14.448 51 HA VAL 7 HA VAL 7 -12.953 -1.695 12.644 52 HB VAL 7 HB VAL 7 -14.582 0.856 12.735 53 HG11 VAL 7 HG11 VAL 7 -14.990 -1.846 11.442 54 HG12 VAL 7 HG12 VAL 7 -15.069 -0.256 10.682 55 HG13 VAL 7 HG13 VAL 7 -16.339 -0.769 11.794 56 HG21 VAL 7 HG21 VAL 7 -14.507 -0.320 14.905 57 HG22 VAL 7 HG22 VAL 7 -14.978 -1.825 14.102 58 HG23 VAL 7 HG23 VAL 7 -16.104 -0.467 14.160 59 H GLN 8 HN GLN 8 -12.420 1.782 12.076 60 HA GLN 8 HA GLN 8 -12.387 1.732 9.287 61 HB2 GLN 8 HB2 GLN 8 -10.958 3.503 11.263 62 HB3 GLN 8 HB1 GLN 8 -10.900 3.773 9.520 63 HG2 GLN 8 HG2 GLN 8 -13.371 3.883 9.460 64 HG3 GLN 8 HG1 GLN 8 -13.417 3.642 11.207 65 HE21 GLN 8 HE21 GLN 8 -14.017 5.670 12.040 66 HE22 GLN 8 HE22 GLN 8 -13.244 7.130 11.650 67 H GLU 9 HN GLU 9 -9.780 1.143 11.608 68 HA GLU 9 HA GLU 9 -7.698 0.947 9.708 69 HB2 GLU 9 HB2 GLU 9 -7.506 1.187 12.257 70 HB3 GLU 9 HB1 GLU 9 -7.791 -0.551 12.329 71 HG2 GLU 9 HG2 GLU 9 -5.609 0.676 10.623 72 HG3 GLU 9 HG1 GLU 9 -5.345 0.153 12.282 73 H LEU 10 HN LEU 10 -9.671 -1.552 11.291 74 HA LEU 10 HA LEU 10 -8.505 -3.699 9.833 75 HB2 LEU 10 HB2 LEU 10 -9.827 -3.749 12.077 76 HB3 LEU 10 HB1 LEU 10 -11.255 -3.788 11.048 77 HG LEU 10 HG LEU 10 -9.914 -5.739 9.806 78 HD11 LEU 10 HD11 LEU 10 -7.892 -5.364 11.283 79 HD12 LEU 10 HD12 LEU 10 -8.497 -7.017 11.295 80 HD13 LEU 10 HD13 LEU 10 -8.857 -5.939 12.641 81 HD21 LEU 10 HD21 LEU 10 -11.466 -5.909 12.394 82 HD22 LEU 10 HD22 LEU 10 -10.937 -7.354 11.534 83 HD23 LEU 10 HD23 LEU 10 -12.031 -6.217 10.753 84 H LYS 11 HN LYS 11 -10.914 -1.374 9.108 85 HA LYS 11 HA LYS 11 -12.543 -2.775 7.329 86 HB2 LYS 11 HB2 LYS 11 -12.664 -0.299 8.221 87 HB3 LYS 11 HB1 LYS 11 -11.758 0.087 6.767 88 HG2 LYS 11 HG2 LYS 11 -13.493 -0.933 5.389 89 HG3 LYS 11 HG1 LYS 11 -14.376 -1.443 6.827 90 HD2 LYS 11 HD2 LYS 11 -14.564 0.960 7.495 91 HD3 LYS 11 HD1 LYS 11 -13.841 1.400 5.946 92 HE2 LYS 11 HE2 LYS 11 -15.675 0.186 4.779 93 HE3 LYS 11 HE1 LYS 11 -16.411 -0.154 6.348 94 HZ1 LYS 11 HZ1 LYS 11 -16.535 2.242 6.742 95 HZ2 LYS 11 HZ2 LYS 11 -17.416 1.785 5.362 96 HZ3 LYS 11 HZ3 LYS 11 -15.901 2.536 5.196 97 H GLU 12 HN GLU 12 -9.491 -1.050 6.749 98 HA GLU 12 HA GLU 12 -9.419 -1.438 3.950 99 HB2 GLU 12 HB2 GLU 12 -7.200 -1.021 5.963 100 HB3 GLU 12 HB1 GLU 12 -6.959 -1.013 4.216 101 HG2 GLU 12 HG2 GLU 12 -8.547 0.845 3.985 102 HG3 GLU 12 HG1 GLU 12 -8.849 0.819 5.721 103 H ARG 13 HN ARG 13 -7.995 -3.297 6.629 104 HA ARG 13 HA ARG 13 -6.809 -5.275 4.948 105 HB2 ARG 13 HB2 ARG 13 -7.473 -5.232 7.894 106 HB3 ARG 13 HB1 ARG 13 -6.646 -6.577 7.108 107 HG2 ARG 13 HG2 ARG 13 -4.863 -5.056 6.352 108 HG3 ARG 13 HG1 ARG 13 -5.692 -3.699 7.115 109 HD2 ARG 13 HD2 ARG 13 -5.484 -4.818 9.312 110 HD3 ARG 13 HD1 ARG 13 -4.630 -6.153 8.543 111 HE ARG 13 HE ARG 13 -3.532 -3.574 9.211 112 HH11 ARG 13 HH21 ARG 13 -3.384 -6.289 7.071 113 HH12 ARG 13 HH22 ARG 13 -1.717 -6.054 6.665 114 HH21 ARG 13 HH11 ARG 13 -1.346 -3.259 8.685 115 HH22 ARG 13 HH12 ARG 13 -0.563 -4.338 7.580 116 H ALA 14 HN ALA 14 -9.888 -5.002 6.640 117 HA ALA 14 HA ALA 14 -10.733 -7.680 6.106 118 HB1 ALA 14 HB1 ALA 14 -11.730 -6.537 7.966 119 HB2 ALA 14 HB2 ALA 14 -12.997 -6.775 6.762 120 HB3 ALA 14 HB3 ALA 14 -12.236 -5.194 6.940 121 H LYS 15 HN LYS 15 -10.439 -4.926 4.179 122 HA LYS 15 HA LYS 15 -12.682 -5.179 2.476 123 HB2 LYS 15 HB2 LYS 15 -11.188 -3.185 2.554 124 HB3 LYS 15 HB1 LYS 15 -9.934 -4.136 1.764 125 HG2 LYS 15 HG2 LYS 15 -11.393 -4.505 -0.169 126 HG3 LYS 15 HG1 LYS 15 -12.687 -3.605 0.623 127 HD2 LYS 15 HD2 LYS 15 -11.282 -1.587 0.657 128 HD3 LYS 15 HD1 LYS 15 -9.968 -2.480 -0.112 129 HE2 LYS 15 HE2 LYS 15 -11.189 -1.210 -1.799 130 HE3 LYS 15 HE1 LYS 15 -11.447 -2.936 -2.048 131 HZ1 LYS 15 HZ1 LYS 15 -13.559 -2.789 -0.965 132 HZ2 LYS 15 HZ2 LYS 15 -13.505 -1.607 -2.184 133 HZ3 LYS 15 HZ3 LYS 15 -13.302 -1.165 -0.556 134 H VAL 16 HN VAL 16 -9.386 -6.505 2.276 135 HA VAL 16 HA VAL 16 -8.474 -7.973 0.701 136 HB VAL 16 HB VAL 16 -9.530 -10.198 0.928 137 HG11 VAL 16 HG11 VAL 16 -8.111 -9.051 2.750 138 HG12 VAL 16 HG12 VAL 16 -9.081 -10.442 3.228 139 HG13 VAL 16 HG13 VAL 16 -9.637 -8.811 3.602 140 HG21 VAL 16 HG21 VAL 16 -11.916 -9.269 0.884 141 HG22 VAL 16 HG22 VAL 16 -11.657 -8.788 2.555 142 HG23 VAL 16 HG23 VAL 16 -11.604 -10.485 2.118 143 H PHE 17 HN PHE 17 -10.313 -10.027 -0.574 144 HA PHE 17 HA PHE 17 -11.741 -8.420 -2.558 145 HB2 PHE 17 HB2 PHE 17 -10.614 -9.554 -4.421 146 HB3 PHE 17 HB1 PHE 17 -9.468 -8.620 -3.460 147 HD1 PHE 17 HD2 PHE 17 -7.858 -9.728 -1.978 148 HD2 PHE 17 HD1 PHE 17 -10.601 -11.993 -4.384 149 HE1 PHE 17 HE2 PHE 17 -6.528 -11.780 -1.561 150 HE2 PHE 17 HE1 PHE 17 -9.272 -14.046 -3.967 151 HZ PHE 17 HZ PHE 17 -7.235 -13.938 -2.556 152 H ALA 18 HN ALA 18 -13.194 -9.667 -3.856 153 HA ALA 18 HA ALA 18 -14.899 -11.205 -4.028 154 HB1 ALA 18 HB1 ALA 18 -14.176 -13.533 -4.156 155 HB2 ALA 18 HB2 ALA 18 -12.657 -13.125 -3.358 156 HB3 ALA 18 HB3 ALA 18 -13.003 -12.496 -4.969 157 H LYS 19 HN LYS 19 -15.315 -10.011 -1.763 158 HA LYS 19 HA LYS 19 -15.429 -12.048 0.325 159 HB2 LYS 19 HB2 LYS 19 -14.622 -9.424 0.460 160 HB3 LYS 19 HB1 LYS 19 -16.252 -9.351 1.116 161 HG2 LYS 19 HG2 LYS 19 -14.219 -11.418 2.041 162 HG3 LYS 19 HG1 LYS 19 -14.382 -9.843 2.802 163 HD2 LYS 19 HD2 LYS 19 -16.894 -11.456 2.398 164 HD3 LYS 19 HD1 LYS 19 -15.791 -11.954 3.676 165 HE2 LYS 19 HE2 LYS 19 -16.769 -9.110 3.371 166 HE3 LYS 19 HE1 LYS 19 -17.581 -10.303 4.384 167 HZ1 LYS 19 HZ1 LYS 19 -16.091 -9.947 5.963 168 HZ2 LYS 19 HZ2 LYS 19 -15.351 -8.753 5.007 169 HZ3 LYS 19 HZ3 LYS 19 -14.825 -10.366 4.917 170 HA PRO 20 HA PRO 20 -19.765 -12.480 -0.917 171 HB2 PRO 20 HB2 PRO 20 -19.783 -14.002 1.670 172 HB3 PRO 20 HB1 PRO 20 -20.383 -14.491 0.072 173 HG2 PRO 20 HG2 PRO 20 -18.104 -15.468 1.060 174 HG3 PRO 20 HG1 PRO 20 -18.287 -15.111 -0.668 175 HD2 PRO 20 HD2 PRO 20 -16.792 -13.595 1.422 176 HD3 PRO 20 HD1 PRO 20 -16.446 -13.816 -0.314 177 H ILE 21 HN ILE 21 -21.607 -11.401 -0.326 178 HA ILE 21 HA ILE 21 -21.398 -9.487 1.856 179 HB ILE 21 HB ILE 21 -23.543 -8.634 0.967 180 HG12 ILE 21 HG12 ILE 21 -23.224 -10.866 -1.069 181 HG13 ILE 21 HG11 ILE 21 -24.434 -10.839 0.218 182 HG21 ILE 21 HG21 ILE 21 -22.633 -7.751 -1.064 183 HG22 ILE 21 HG22 ILE 21 -21.588 -9.156 -1.284 184 HG23 ILE 21 HG23 ILE 21 -21.262 -8.009 0.016 185 HD11 ILE 21 HD11 ILE 21 -24.173 -8.859 -2.059 186 HD12 ILE 21 HD12 ILE 21 -25.289 -8.673 -0.706 187 HD13 ILE 21 HD13 ILE 21 -25.470 -10.031 -1.818 188 H GLY 22 HN GLY 22 -22.736 -9.383 3.642 189 HA2 GLY 22 HA2 GLY 22 -24.848 -11.308 4.069 190 HA3 GLY 22 HA1 GLY 22 -23.410 -11.617 5.036 191 H ALA 23 HN ALA 23 -23.772 -10.936 7.051 192 HA ALA 23 HA ALA 23 -24.305 -8.162 7.582 193 HB1 ALA 23 HB1 ALA 23 -26.392 -8.496 8.834 194 HB2 ALA 23 HB2 ALA 23 -26.407 -10.197 8.368 195 HB3 ALA 23 HB3 ALA 23 -26.601 -8.945 7.141 196 H SER 24 HN SER 24 -23.528 -11.372 8.518 197 HA SER 24 HA SER 24 -23.253 -10.822 11.343 198 HB2 SER 24 HB2 SER 24 -22.242 -13.070 11.429 199 HB3 SER 24 HB1 SER 24 -23.779 -13.086 10.568 200 HG SER 24 HG SER 24 -21.570 -14.018 9.677 201 H TYR 25 HN TYR 25 -21.383 -10.274 8.544 202 HA TYR 25 HA TYR 25 -18.775 -10.489 9.694 203 HB2 TYR 25 HB2 TYR 25 -19.755 -8.927 7.291 204 HB3 TYR 25 HB1 TYR 25 -18.061 -9.198 7.701 205 HD1 TYR 25 HD2 TYR 25 -21.206 -10.814 6.616 206 HD2 TYR 25 HD1 TYR 25 -17.016 -11.359 7.392 207 HE1 TYR 25 HE2 TYR 25 -21.283 -13.018 5.482 208 HE2 TYR 25 HE1 TYR 25 -17.094 -13.563 6.259 209 HH TYR 25 HH TYR 25 -19.146 -15.340 5.836 210 H GLN 26 HN GLN 26 -21.009 -7.780 9.144 211 HA GLN 26 HA GLN 26 -19.292 -5.767 10.177 212 HB2 GLN 26 HB2 GLN 26 -21.448 -4.456 10.398 213 HB3 GLN 26 HB1 GLN 26 -21.110 -5.084 8.784 214 HG2 GLN 26 HG2 GLN 26 -22.637 -6.914 9.089 215 HG3 GLN 26 HG1 GLN 26 -22.834 -6.540 10.801 216 HE21 GLN 26 HE21 GLN 26 -24.921 -6.593 8.613 217 HE22 GLN 26 HE22 GLN 26 -25.623 -5.047 8.640 218 H GLY 27 HN GLY 27 -21.508 -8.031 11.644 219 HA2 GLY 27 HA2 GLY 27 -21.902 -6.778 14.132 220 HA3 GLY 27 HA1 GLY 27 -21.999 -8.512 13.839 221 H ILE 28 HN ILE 28 -19.265 -8.744 12.889 222 HA ILE 28 HA ILE 28 -17.965 -9.160 15.393 223 HB ILE 28 HB ILE 28 -16.912 -9.267 12.559 224 HG12 ILE 28 HG12 ILE 28 -17.631 -11.495 14.486 225 HG13 ILE 28 HG11 ILE 28 -18.728 -10.891 13.243 226 HG21 ILE 28 HG21 ILE 28 -15.006 -8.950 13.950 227 HG22 ILE 28 HG22 ILE 28 -15.107 -10.693 13.722 228 HG23 ILE 28 HG23 ILE 28 -15.669 -9.967 15.226 229 HD11 ILE 28 HD11 ILE 28 -15.963 -12.027 12.725 230 HD12 ILE 28 HD12 ILE 28 -17.098 -11.465 11.497 231 HD13 ILE 28 HD13 ILE 28 -17.480 -12.890 12.465 232 H LEU 29 HN LEU 29 -18.083 -6.540 13.137 233 HA LEU 29 HA LEU 29 -15.709 -5.243 14.270 234 HB2 LEU 29 HB2 LEU 29 -17.560 -4.673 11.955 235 HB3 LEU 29 HB1 LEU 29 -16.492 -3.412 12.566 236 HG LEU 29 HG LEU 29 -15.511 -4.766 10.680 237 HD11 LEU 29 HD11 LEU 29 -13.413 -4.462 11.537 238 HD12 LEU 29 HD12 LEU 29 -13.734 -5.403 12.988 239 HD13 LEU 29 HD13 LEU 29 -14.251 -3.723 12.894 240 HD21 LEU 29 HD21 LEU 29 -16.582 -6.931 11.577 241 HD22 LEU 29 HD22 LEU 29 -15.257 -6.968 12.738 242 HD23 LEU 29 HD23 LEU 29 -14.915 -7.057 11.011 243 H ASP 30 HN ASP 30 -19.207 -4.860 14.162 244 HA ASP 30 HA ASP 30 -19.359 -2.351 15.425 245 HB2 ASP 30 HB2 ASP 30 -21.285 -4.679 15.369 246 HB3 ASP 30 HB1 ASP 30 -21.676 -3.116 16.082 247 H GLN 31 HN GLN 31 -18.759 -5.535 16.676 248 HA GLN 31 HA GLN 31 -19.434 -5.039 19.386 249 HB2 GLN 31 HB2 GLN 31 -19.122 -7.312 18.372 250 HB3 GLN 31 HB1 GLN 31 -17.387 -7.002 18.331 251 HG2 GLN 31 HG2 GLN 31 -17.863 -8.228 20.357 252 HG3 GLN 31 HG1 GLN 31 -17.486 -6.574 20.810 253 HE21 GLN 31 HE21 GLN 31 -18.798 -6.403 22.696 254 HE22 GLN 31 HE22 GLN 31 -20.487 -6.569 22.666 255 H LEU 32 HN LEU 32 -16.516 -4.544 17.480 256 HA LEU 32 HA LEU 32 -14.713 -4.082 19.593 257 HB2 LEU 32 HB2 LEU 32 -14.826 -3.242 16.706 258 HB3 LEU 32 HB1 LEU 32 -13.564 -2.596 17.749 259 HG LEU 32 HG LEU 32 -12.803 -4.838 18.296 260 HD11 LEU 32 HD11 LEU 32 -13.905 -6.762 16.966 261 HD12 LEU 32 HD12 LEU 32 -15.245 -5.643 16.724 262 HD13 LEU 32 HD13 LEU 32 -14.791 -6.128 18.355 263 HD21 LEU 32 HD21 LEU 32 -13.278 -4.639 15.307 264 HD22 LEU 32 HD22 LEU 32 -11.976 -5.511 16.113 265 HD23 LEU 32 HD23 LEU 32 -12.024 -3.749 16.170 266 H ASP 33 HN ASP 33 -16.814 -1.854 17.800 267 HA ASP 33 HA ASP 33 -15.960 0.502 19.123 268 HB2 ASP 33 HB2 ASP 33 -18.509 -0.200 17.665 269 HB3 ASP 33 HB1 ASP 33 -18.187 1.404 18.322 270 H LEU 34 HN LEU 34 -18.497 -1.851 19.800 271 HA LEU 34 HA LEU 34 -19.655 -0.405 21.968 272 HB2 LEU 34 HB2 LEU 34 -19.795 -3.338 21.229 273 HB3 LEU 34 HB1 LEU 34 -20.779 -2.571 22.472 274 HG LEU 34 HG LEU 34 -20.706 -1.607 19.600 275 HD11 LEU 34 HD11 LEU 34 -22.595 -3.552 20.954 276 HD12 LEU 34 HD12 LEU 34 -21.568 -3.868 19.556 277 HD13 LEU 34 HD13 LEU 34 -22.935 -2.765 19.413 278 HD21 LEU 34 HD21 LEU 34 -21.589 0.136 20.909 279 HD22 LEU 34 HD22 LEU 34 -22.355 -0.964 22.052 280 HD23 LEU 34 HD23 LEU 34 -23.041 -0.738 20.448 281 H VAL 35 HN VAL 35 -16.854 -2.327 21.648 282 HA VAL 35 HA VAL 35 -16.607 -3.471 24.167 283 HB VAL 35 HB VAL 35 -15.056 -3.576 22.035 284 HG11 VAL 35 HG11 VAL 35 -14.520 -1.038 22.421 285 HG12 VAL 35 HG12 VAL 35 -13.197 -2.120 21.984 286 HG13 VAL 35 HG13 VAL 35 -13.421 -1.627 23.662 287 HG21 VAL 35 HG21 VAL 35 -13.201 -4.403 23.464 288 HG22 VAL 35 HG22 VAL 35 -14.767 -4.957 24.061 289 HG23 VAL 35 HG23 VAL 35 -13.942 -3.620 24.861 290 H HIS 36 HN HIS 36 -16.275 -0.153 23.171 291 HA HIS 36 HA HIS 36 -14.997 0.683 25.648 292 HB2 HIS 36 HB2 HIS 36 -14.536 1.771 23.425 293 HB3 HIS 36 HB1 HIS 36 -16.178 2.413 23.466 294 HD2 HIS 36 HD2 HIS 36 -16.381 4.792 24.864 295 HE1 HIS 36 HE1 HIS 36 -12.738 4.544 26.985 296 HE2 HIS 36 HE2 HIS 36 -14.758 6.009 26.510 297 H GLN 37 HN GLN 37 -18.194 0.670 24.178 298 HA GLN 37 HA GLN 37 -19.372 2.285 26.281 299 HB2 GLN 37 HB2 GLN 37 -20.179 2.228 23.876 300 HB3 GLN 37 HB1 GLN 37 -20.811 0.616 24.212 301 HG2 GLN 37 HG2 GLN 37 -22.620 2.148 24.585 302 HG3 GLN 37 HG1 GLN 37 -22.060 1.636 26.174 303 HE21 GLN 37 HE21 GLN 37 -21.488 4.271 23.777 304 HE22 GLN 37 HE22 GLN 37 -21.225 5.471 24.949 305 H ALA 38 HN ALA 38 -18.813 -1.087 25.620 306 HA ALA 38 HA ALA 38 -20.807 -2.134 27.382 307 HB1 ALA 38 HB1 ALA 38 -19.968 -3.588 25.683 308 HB2 ALA 38 HB2 ALA 38 -19.373 -4.224 27.214 309 HB3 ALA 38 HB3 ALA 38 -18.298 -3.302 26.170 310 H LYS 39 HN LYS 39 -20.659 -2.693 29.504 311 HA LYS 39 HA LYS 39 -18.628 -1.409 31.089 312 HB2 LYS 39 HB2 LYS 39 -19.867 -2.347 33.010 313 HB3 LYS 39 HB1 LYS 39 -20.896 -1.444 31.904 314 HG2 LYS 39 HG2 LYS 39 -20.660 -4.337 31.243 315 HG3 LYS 39 HG1 LYS 39 -21.432 -4.023 32.788 316 HD2 LYS 39 HD2 LYS 39 -22.937 -2.378 31.559 317 HD3 LYS 39 HD1 LYS 39 -22.265 -3.020 30.060 318 HE2 LYS 39 HE2 LYS 39 -24.189 -4.308 30.381 319 HE3 LYS 39 HE1 LYS 39 -22.916 -5.339 31.033 320 HZ1 LYS 39 HZ1 LYS 39 -25.110 -4.081 32.377 321 HZ2 LYS 39 HZ2 LYS 39 -23.623 -3.765 33.136 322 HZ3 LYS 39 HZ3 LYS 39 -24.127 -5.366 32.882 323 H GLY 40 HN GLY 40 -17.869 -2.877 33.075 324 HA2 GLY 40 HA2 GLY 40 -15.876 -4.570 32.132 325 HA3 GLY 40 HA1 GLY 40 -16.480 -4.566 33.784 326 H ARG 41 HN ARG 41 -19.231 -5.235 32.757 327 HA ARG 41 HA ARG 41 -18.875 -8.122 32.809 328 HB2 ARG 41 HB2 ARG 41 -21.340 -6.361 32.729 329 HB3 ARG 41 HB1 ARG 41 -21.380 -8.121 32.832 330 HG2 ARG 41 HG2 ARG 41 -20.111 -8.054 34.930 331 HG3 ARG 41 HG1 ARG 41 -20.005 -6.296 34.823 332 HD2 ARG 41 HD2 ARG 41 -22.453 -6.125 34.937 333 HD3 ARG 41 HD1 ARG 41 -22.581 -7.879 35.007 334 HE ARG 41 HE ARG 41 -21.871 -7.816 37.242 335 HH11 ARG 41 HH21 ARG 41 -21.543 -4.747 35.680 336 HH12 ARG 41 HH22 ARG 41 -21.235 -3.877 37.146 337 HH21 ARG 41 HH11 ARG 41 -21.467 -6.684 39.171 338 HH22 ARG 41 HH12 ARG 41 -21.191 -4.974 39.122 339 H ASP 42 HN ASP 42 -20.709 -5.919 30.679 340 HA ASP 42 HA ASP 42 -21.090 -7.815 28.633 341 HB2 ASP 42 HB2 ASP 42 -22.528 -5.882 28.800 342 HB3 ASP 42 HB1 ASP 42 -21.165 -4.795 28.561 343 H GLN 43 HN GLN 43 -18.537 -5.503 29.285 344 HA GLN 43 HA GLN 43 -17.289 -5.523 26.772 345 HB2 GLN 43 HB2 GLN 43 -16.726 -3.891 28.516 346 HB3 GLN 43 HB1 GLN 43 -16.036 -5.179 29.508 347 HG2 GLN 43 HG2 GLN 43 -14.330 -5.614 27.839 348 HG3 GLN 43 HG1 GLN 43 -15.083 -4.478 26.722 349 HE21 GLN 43 HE21 GLN 43 -12.357 -4.188 27.623 350 HE22 GLN 43 HE22 GLN 43 -12.269 -2.774 28.558 351 H ILE 44 HN ILE 44 -16.813 -7.568 29.634 352 HA ILE 44 HA ILE 44 -14.696 -9.125 28.565 353 HB ILE 44 HB ILE 44 -16.708 -9.690 30.751 354 HG12 ILE 44 HG12 ILE 44 -13.746 -9.068 30.916 355 HG13 ILE 44 HG11 ILE 44 -14.989 -7.819 31.003 356 HG21 ILE 44 HG21 ILE 44 -14.968 -11.461 31.397 357 HG22 ILE 44 HG22 ILE 44 -14.321 -11.272 29.767 358 HG23 ILE 44 HG23 ILE 44 -15.975 -11.839 29.998 359 HD11 ILE 44 HD11 ILE 44 -14.564 -10.146 32.893 360 HD12 ILE 44 HD12 ILE 44 -16.031 -9.167 32.904 361 HD13 ILE 44 HD13 ILE 44 -14.473 -8.427 33.270 362 H ALA 45 HN ALA 45 -18.218 -9.577 28.668 363 HA ALA 45 HA ALA 45 -18.313 -12.137 27.522 364 HB1 ALA 45 HB1 ALA 45 -20.363 -9.944 27.155 365 HB2 ALA 45 HB2 ALA 45 -20.228 -10.925 28.614 366 HB3 ALA 45 HB3 ALA 45 -20.635 -11.684 27.074 367 H ALA 46 HN ALA 46 -17.854 -8.980 26.103 368 HA ALA 46 HA ALA 46 -18.492 -9.599 23.423 369 HB1 ALA 46 HB1 ALA 46 -17.299 -7.587 22.862 370 HB2 ALA 46 HB2 ALA 46 -16.448 -7.595 24.400 371 HB3 ALA 46 HB3 ALA 46 -18.184 -7.286 24.354 372 H SER 47 HN SER 47 -15.484 -9.805 25.285 373 HA SER 47 HA SER 47 -13.821 -10.545 23.132 374 HB2 SER 47 HB2 SER 47 -13.154 -9.765 25.489 375 HB3 SER 47 HB1 SER 47 -13.381 -11.442 25.970 376 HG SER 47 HG SER 47 -11.672 -10.474 23.913 377 H PHE 48 HN PHE 48 -15.648 -12.451 25.479 378 HA PHE 48 HA PHE 48 -14.758 -15.003 24.682 379 HB2 PHE 48 HB2 PHE 48 -15.994 -14.542 26.786 380 HB3 PHE 48 HB1 PHE 48 -17.455 -14.267 25.836 381 HD1 PHE 48 HD1 PHE 48 -14.779 -16.812 26.469 382 HD2 PHE 48 HD2 PHE 48 -18.823 -16.082 25.217 383 HE1 PHE 48 HE1 PHE 48 -15.206 -19.254 26.420 384 HE2 PHE 48 HE2 PHE 48 -19.250 -18.522 25.169 385 HZ PHE 48 HZ PHE 48 -17.442 -20.110 25.770 386 H GLU 49 HN GLU 49 -17.400 -12.963 23.534 387 HA GLU 49 HA GLU 49 -18.630 -14.867 21.860 388 HB2 GLU 49 HB2 GLU 49 -19.659 -12.711 22.533 389 HB3 GLU 49 HB1 GLU 49 -18.518 -11.869 21.485 390 HG2 GLU 49 HG2 GLU 49 -19.381 -13.129 19.537 391 HG3 GLU 49 HG1 GLU 49 -20.525 -13.959 20.589 392 H LEU 50 HN LEU 50 -16.314 -12.279 21.062 393 HA LEU 50 HA LEU 50 -15.983 -13.111 18.375 394 HB2 LEU 50 HB2 LEU 50 -14.601 -11.186 20.191 395 HB3 LEU 50 HB1 LEU 50 -13.790 -11.644 18.694 396 HG LEU 50 HG LEU 50 -15.747 -10.954 17.391 397 HD11 LEU 50 HD11 LEU 50 -17.539 -11.462 18.915 398 HD12 LEU 50 HD12 LEU 50 -17.588 -9.728 18.613 399 HD13 LEU 50 HD13 LEU 50 -16.904 -10.342 20.120 400 HD21 LEU 50 HD21 LEU 50 -14.000 -9.275 18.000 401 HD22 LEU 50 HD22 LEU 50 -14.970 -8.820 19.402 402 HD23 LEU 50 HD23 LEU 50 -15.592 -8.548 17.775 403 H ASN 51 HN ASN 51 -14.637 -14.162 21.342 404 HA ASN 51 HA ASN 51 -12.139 -15.064 20.679 405 HB2 ASN 51 HB2 ASN 51 -13.221 -15.244 22.932 406 HB3 ASN 51 HB1 ASN 51 -14.126 -16.630 22.335 407 HD21 ASN 51 HD21 ASN 51 -11.894 -16.402 24.444 408 HD22 ASN 51 HD22 ASN 51 -10.755 -17.561 23.952 409 H LYS 52 HN LYS 52 -15.101 -17.014 20.433 410 HA LYS 52 HA LYS 52 -13.845 -19.161 19.068 411 HB2 LYS 52 HB2 LYS 52 -16.294 -19.717 18.430 412 HB3 LYS 52 HB1 LYS 52 -15.843 -19.725 20.135 413 HG2 LYS 52 HG2 LYS 52 -16.749 -17.087 19.068 414 HG3 LYS 52 HG1 LYS 52 -17.992 -18.325 19.156 415 HD2 LYS 52 HD2 LYS 52 -16.181 -17.846 21.523 416 HD3 LYS 52 HD1 LYS 52 -17.569 -16.803 21.230 417 HE2 LYS 52 HE2 LYS 52 -17.849 -19.802 21.261 418 HE3 LYS 52 HE1 LYS 52 -17.944 -18.846 22.741 419 HZ1 LYS 52 HZ1 LYS 52 -19.954 -19.305 20.905 420 HZ2 LYS 52 HZ2 LYS 52 -19.510 -17.678 20.694 421 HZ3 LYS 52 HZ3 LYS 52 -19.995 -18.239 22.223 422 H LYS 53 HN LYS 53 -15.641 -16.326 17.944 423 HA LYS 53 HA LYS 53 -15.820 -17.054 15.237 424 HB2 LYS 53 HB2 LYS 53 -15.688 -14.331 16.525 425 HB3 LYS 53 HB1 LYS 53 -16.111 -14.602 14.846 426 HG2 LYS 53 HG2 LYS 53 -18.003 -16.026 15.559 427 HG3 LYS 53 HG1 LYS 53 -17.596 -15.702 17.246 428 HD2 LYS 53 HD2 LYS 53 -17.952 -13.286 16.871 429 HD3 LYS 53 HD1 LYS 53 -18.363 -13.610 15.187 430 HE2 LYS 53 HE2 LYS 53 -20.255 -15.005 15.907 431 HE3 LYS 53 HE1 LYS 53 -19.846 -14.697 17.593 432 HZ1 LYS 53 HZ1 LYS 53 -21.620 -13.246 16.400 433 HZ2 LYS 53 HZ2 LYS 53 -20.268 -12.427 15.777 434 HZ3 LYS 53 HZ3 LYS 53 -20.508 -12.521 17.456 435 H ILE 54 HN ILE 54 -13.386 -15.128 16.973 436 HA ILE 54 HA ILE 54 -11.770 -14.624 14.697 437 HB ILE 54 HB ILE 54 -11.167 -14.593 17.661 438 HG12 ILE 54 HG12 ILE 54 -11.435 -12.317 15.679 439 HG13 ILE 54 HG11 ILE 54 -12.782 -12.907 16.652 440 HG21 ILE 54 HG21 ILE 54 -9.030 -14.912 16.748 441 HG22 ILE 54 HG22 ILE 54 -9.158 -13.153 16.771 442 HG23 ILE 54 HG23 ILE 54 -9.417 -14.037 15.270 443 HD11 ILE 54 HD11 ILE 54 -11.656 -10.966 17.721 444 HD12 ILE 54 HD12 ILE 54 -10.149 -11.881 17.760 445 HD13 ILE 54 HD13 ILE 54 -11.533 -12.420 18.712 446 H ASN 55 HN ASN 55 -11.596 -17.057 17.280 447 HA ASN 55 HA ASN 55 -9.238 -18.317 16.368 448 HB2 ASN 55 HB2 ASN 55 -10.085 -18.678 18.626 449 HB3 ASN 55 HB1 ASN 55 -11.546 -19.428 17.986 450 HD21 ASN 55 HD21 ASN 55 -8.148 -19.956 18.689 451 HD22 ASN 55 HD22 ASN 55 -8.122 -21.597 18.256 452 H ASP 56 HN ASP 56 -12.660 -18.892 15.691 453 HA ASP 56 HA ASP 56 -12.331 -21.254 14.182 454 HB2 ASP 56 HB2 ASP 56 -14.482 -19.134 14.200 455 HB3 ASP 56 HB1 ASP 56 -14.579 -20.579 13.197 456 H TYR 57 HN TYR 57 -12.118 -17.850 13.347 457 HA TYR 57 HA TYR 57 -12.237 -18.084 10.559 458 HB2 TYR 57 HB2 TYR 57 -11.622 -16.047 12.484 459 HB3 TYR 57 HB1 TYR 57 -10.323 -16.022 11.297 460 HD1 TYR 57 HD2 TYR 57 -11.005 -16.063 8.797 461 HD2 TYR 57 HD1 TYR 57 -13.682 -15.028 11.989 462 HE1 TYR 57 HE2 TYR 57 -12.486 -14.911 7.177 463 HE2 TYR 57 HE1 TYR 57 -15.167 -13.880 10.372 464 HH TYR 57 HH TYR 57 -14.554 -14.018 6.896 465 H ILE 58 HN ILE 58 -9.411 -18.158 12.712 466 HA ILE 58 HA ILE 58 -7.508 -18.599 10.663 467 HB ILE 58 HB ILE 58 -7.454 -19.157 13.629 468 HG12 ILE 58 HG12 ILE 58 -5.687 -17.231 13.353 469 HG13 ILE 58 HG11 ILE 58 -6.472 -16.932 11.803 470 HG21 ILE 58 HG21 ILE 58 -5.353 -19.584 11.511 471 HG22 ILE 58 HG22 ILE 58 -5.895 -20.703 12.755 472 HG23 ILE 58 HG23 ILE 58 -4.921 -19.301 13.195 473 HD11 ILE 58 HD11 ILE 58 -7.968 -17.076 14.433 474 HD12 ILE 58 HD12 ILE 58 -8.586 -16.529 12.875 475 HD13 ILE 58 HD13 ILE 58 -7.387 -15.577 13.723 476 H ALA 59 HN ALA 59 -9.278 -20.795 12.793 477 HA ALA 59 HA ALA 59 -8.027 -23.171 11.947 478 HB1 ALA 59 HB1 ALA 59 -10.831 -22.736 13.003 479 HB2 ALA 59 HB2 ALA 59 -9.395 -23.076 13.970 480 HB3 ALA 59 HB3 ALA 59 -10.028 -24.300 12.870 481 H GLU 60 HN GLU 60 -10.900 -21.475 10.763 482 HA GLU 60 HA GLU 60 -11.531 -23.449 8.785 483 HB2 GLU 60 HB2 GLU 60 -12.432 -20.595 9.187 484 HB3 GLU 60 HB1 GLU 60 -13.039 -21.631 7.896 485 HG2 GLU 60 HG2 GLU 60 -13.844 -23.257 9.531 486 HG3 GLU 60 HG1 GLU 60 -13.167 -22.307 10.848 487 H HIS 61 HN HIS 61 -9.757 -20.401 8.811 488 HA HIS 61 HA HIS 61 -8.697 -21.052 6.121 489 HB2 HIS 61 HB2 HIS 61 -9.532 -18.294 7.019 490 HB3 HIS 61 HB1 HIS 61 -8.874 -18.748 5.446 491 HD2 HIS 61 HD2 HIS 61 -12.235 -17.929 6.587 492 HE1 HIS 61 HE1 HIS 61 -12.919 -21.297 4.134 493 HE2 HIS 61 HE2 HIS 61 -14.023 -19.329 5.299 494 HA PRO 62 HA PRO 62 -5.395 -19.966 9.231 495 HB2 PRO 62 HB2 PRO 62 -3.952 -22.293 9.015 496 HB3 PRO 62 HB1 PRO 62 -5.294 -22.087 10.155 497 HG2 PRO 62 HG2 PRO 62 -5.251 -23.468 7.513 498 HG3 PRO 62 HG1 PRO 62 -6.106 -23.909 9.001 499 HD2 PRO 62 HD2 PRO 62 -7.308 -22.679 6.848 500 HD3 PRO 62 HD1 PRO 62 -7.916 -22.553 8.510 501 H THR 63 HN THR 63 -5.455 -21.183 5.980 502 HA THR 63 HA THR 63 -2.721 -20.717 5.329 503 HB THR 63 HB THR 63 -5.167 -20.871 3.551 504 HG1 THR 63 HG1 THR 63 -4.207 -22.995 3.196 505 HG21 THR 63 HG21 THR 63 -2.201 -20.871 2.953 506 HG22 THR 63 HG22 THR 63 -3.424 -19.760 2.333 507 HG23 THR 63 HG23 THR 63 -3.414 -21.443 1.807 508 H SER 64 HN SER 64 -5.517 -18.694 5.594 509 HA SER 64 HA SER 64 -4.490 -16.547 3.967 510 HB2 SER 64 HB2 SER 64 -6.636 -16.248 6.059 511 HB3 SER 64 HB1 SER 64 -6.448 -15.383 4.536 512 HG SER 64 HG SER 64 -7.893 -16.858 3.982 513 H GLY 65 HN GLY 65 -2.670 -15.565 4.620 514 HA2 GLY 65 HA2 GLY 65 -1.794 -15.347 7.303 515 HA3 GLY 65 HA1 GLY 65 -1.163 -14.428 5.939 516 H ARG 66 HN ARG 66 -3.731 -13.264 5.240 517 HA ARG 66 HA ARG 66 -3.624 -10.904 6.750 518 HB2 ARG 66 HB2 ARG 66 -4.624 -11.224 4.430 519 HB3 ARG 66 HB1 ARG 66 -6.046 -11.884 5.237 520 HG2 ARG 66 HG2 ARG 66 -6.687 -9.651 5.151 521 HG3 ARG 66 HG1 ARG 66 -5.831 -9.631 6.691 522 HD2 ARG 66 HD2 ARG 66 -5.035 -7.769 5.368 523 HD3 ARG 66 HD1 ARG 66 -3.749 -8.968 5.449 524 HE ARG 66 HE ARG 66 -5.375 -9.385 3.142 525 HH11 ARG 66 HH21 ARG 66 -2.917 -7.373 4.510 526 HH12 ARG 66 HH22 ARG 66 -2.237 -6.927 2.982 527 HH21 ARG 66 HH11 ARG 66 -4.488 -8.805 1.132 528 HH22 ARG 66 HH12 ARG 66 -3.127 -7.738 1.068 529 H ASN 67 HN ASN 67 -5.572 -13.810 7.103 530 HA ASN 67 HA ASN 67 -7.454 -12.852 8.962 531 HB2 ASN 67 HB2 ASN 67 -7.670 -15.013 7.798 532 HB3 ASN 67 HB1 ASN 67 -6.301 -15.638 8.717 533 HD21 ASN 67 HD21 ASN 67 -8.350 -13.444 10.456 534 HD22 ASN 67 HD22 ASN 67 -9.174 -14.614 11.368 535 H GLN 68 HN GLN 68 -4.201 -14.170 9.383 536 HA GLN 68 HA GLN 68 -4.055 -14.592 12.085 537 HB2 GLN 68 HB2 GLN 68 -1.976 -13.204 10.374 538 HB3 GLN 68 HB1 GLN 68 -1.680 -13.961 11.938 539 HG2 GLN 68 HG2 GLN 68 -2.794 -15.419 9.528 540 HG3 GLN 68 HG1 GLN 68 -1.096 -15.442 10.002 541 HE21 GLN 68 HE21 GLN 68 -3.667 -17.408 10.141 542 HE22 GLN 68 HE22 GLN 68 -3.423 -18.148 11.649 543 H ALA 69 HN ALA 69 -4.618 -11.607 10.468 544 HA ALA 69 HA ALA 69 -3.707 -9.830 12.513 545 HB1 ALA 69 HB1 ALA 69 -5.846 -9.335 10.429 546 HB2 ALA 69 HB2 ALA 69 -4.115 -9.171 10.131 547 HB3 ALA 69 HB3 ALA 69 -4.911 -8.120 11.301 548 H LEU 70 HN LEU 70 -6.706 -11.533 11.896 549 HA LEU 70 HA LEU 70 -8.334 -10.117 13.718 550 HB2 LEU 70 HB2 LEU 70 -8.466 -12.864 12.485 551 HB3 LEU 70 HB1 LEU 70 -9.648 -12.373 13.690 552 HG LEU 70 HG LEU 70 -10.364 -11.940 11.311 553 HD11 LEU 70 HD11 LEU 70 -10.938 -10.498 13.522 554 HD12 LEU 70 HD12 LEU 70 -11.529 -10.044 11.932 555 HD13 LEU 70 HD13 LEU 70 -10.118 -9.239 12.599 556 HD21 LEU 70 HD21 LEU 70 -9.282 -10.247 10.016 557 HD22 LEU 70 HD22 LEU 70 -7.977 -11.259 10.634 558 HD23 LEU 70 HD23 LEU 70 -8.324 -9.705 11.393 559 H THR 71 HN THR 71 -6.135 -12.810 14.096 560 HA THR 71 HA THR 71 -6.896 -13.611 16.683 561 HB THR 71 HB THR 71 -4.103 -13.690 15.535 562 HG1 THR 71 HG1 THR 71 -5.683 -15.910 15.344 563 HG21 THR 71 HG21 THR 71 -3.937 -15.714 16.958 564 HG22 THR 71 HG22 THR 71 -5.566 -15.407 17.560 565 HG23 THR 71 HG23 THR 71 -4.266 -14.268 17.911 566 H GLN 72 HN GLN 72 -4.977 -10.935 15.538 567 HA GLN 72 HA GLN 72 -3.598 -10.306 17.912 568 HB2 GLN 72 HB2 GLN 72 -4.550 -8.541 15.656 569 HB3 GLN 72 HB1 GLN 72 -3.477 -7.999 16.939 570 HG2 GLN 72 HG2 GLN 72 -1.857 -9.759 16.323 571 HG3 GLN 72 HG1 GLN 72 -2.928 -10.284 15.026 572 HE21 GLN 72 HE21 GLN 72 -3.616 -8.247 13.543 573 HE22 GLN 72 HE22 GLN 72 -2.321 -7.246 13.093 574 H LEU 73 HN LEU 73 -6.876 -9.650 16.863 575 HA LEU 73 HA LEU 73 -7.531 -7.633 18.708 576 HB2 LEU 73 HB2 LEU 73 -9.183 -9.741 17.323 577 HB3 LEU 73 HB1 LEU 73 -9.904 -8.534 18.374 578 HG LEU 73 HG LEU 73 -8.075 -7.761 16.087 579 HD11 LEU 73 HD11 LEU 73 -10.073 -7.397 14.715 580 HD12 LEU 73 HD12 LEU 73 -11.099 -8.004 16.015 581 HD13 LEU 73 HD13 LEU 73 -9.979 -9.091 15.195 582 HD21 LEU 73 HD21 LEU 73 -8.381 -5.902 17.505 583 HD22 LEU 73 HD22 LEU 73 -10.038 -6.338 17.902 584 HD23 LEU 73 HD23 LEU 73 -9.657 -5.675 16.320 585 H LYS 74 HN LYS 74 -7.661 -11.152 18.963 586 HA LYS 74 HA LYS 74 -8.958 -11.321 21.447 587 HB2 LYS 74 HB2 LYS 74 -8.494 -13.235 19.910 588 HB3 LYS 74 HB1 LYS 74 -6.801 -13.170 20.401 589 HG2 LYS 74 HG2 LYS 74 -7.577 -13.446 22.797 590 HG3 LYS 74 HG1 LYS 74 -9.198 -13.725 22.170 591 HD2 LYS 74 HD2 LYS 74 -6.783 -15.334 21.308 592 HD3 LYS 74 HD1 LYS 74 -7.851 -15.824 22.622 593 HE2 LYS 74 HE2 LYS 74 -9.772 -15.569 20.910 594 HE3 LYS 74 HE1 LYS 74 -8.502 -15.545 19.688 595 HZ1 LYS 74 HZ1 LYS 74 -8.993 -17.760 19.830 596 HZ2 LYS 74 HZ2 LYS 74 -9.294 -17.712 21.501 597 HZ3 LYS 74 HZ3 LYS 74 -7.699 -17.648 20.919 598 H GLU 75 HN GLU 75 -5.504 -11.036 20.645 599 HA GLU 75 HA GLU 75 -4.570 -11.194 23.320 600 HB2 GLU 75 HB2 GLU 75 -3.340 -9.992 20.828 601 HB3 GLU 75 HB1 GLU 75 -2.486 -10.160 22.362 602 HG2 GLU 75 HG2 GLU 75 -3.784 -12.476 20.906 603 HG3 GLU 75 HG1 GLU 75 -2.083 -12.051 20.739 604 H GLN 76 HN GLN 76 -5.405 -8.465 21.214 605 HA GLN 76 HA GLN 76 -4.600 -6.414 22.987 606 HB2 GLN 76 HB2 GLN 76 -6.670 -6.465 20.780 607 HB3 GLN 76 HB1 GLN 76 -6.187 -4.998 21.631 608 HG2 GLN 76 HG2 GLN 76 -4.247 -6.825 20.193 609 HG3 GLN 76 HG1 GLN 76 -4.947 -5.378 19.471 610 HE21 GLN 76 HE21 GLN 76 -2.125 -6.310 20.755 611 HE22 GLN 76 HE22 GLN 76 -1.661 -4.896 21.570 612 H VAL 77 HN VAL 77 -7.857 -7.733 22.335 613 HA VAL 77 HA VAL 77 -9.173 -6.287 24.362 614 HB VAL 77 HB VAL 77 -9.855 -8.947 23.091 615 HG11 VAL 77 HG11 VAL 77 -11.420 -7.109 24.917 616 HG12 VAL 77 HG12 VAL 77 -11.066 -8.820 25.152 617 HG13 VAL 77 HG13 VAL 77 -12.192 -8.319 23.891 618 HG21 VAL 77 HG21 VAL 77 -9.726 -7.018 21.540 619 HG22 VAL 77 HG22 VAL 77 -10.838 -6.121 22.576 620 HG23 VAL 77 HG23 VAL 77 -11.389 -7.572 21.737 621 H THR 78 HN THR 78 -7.778 -9.560 24.346 622 HA THR 78 HA THR 78 -8.509 -10.273 26.968 623 HB THR 78 HB THR 78 -6.132 -11.151 25.313 624 HG1 THR 78 HG1 THR 78 -7.465 -12.698 24.604 625 HG21 THR 78 HG21 THR 78 -7.295 -12.141 27.915 626 HG22 THR 78 HG22 THR 78 -5.616 -11.753 27.540 627 HG23 THR 78 HG23 THR 78 -6.360 -13.198 26.857 628 H SER 79 HN SER 79 -5.534 -8.781 25.709 629 HA SER 79 HA SER 79 -4.187 -8.612 28.187 630 HB2 SER 79 HB2 SER 79 -3.925 -7.030 25.630 631 HB3 SER 79 HB1 SER 79 -2.866 -6.791 27.017 632 HG SER 79 HG SER 79 -1.881 -8.308 25.773 633 H ALA 80 HN ALA 80 -6.430 -6.443 26.537 634 HA ALA 80 HA ALA 80 -6.135 -4.176 28.142 635 HB1 ALA 80 HB1 ALA 80 -8.672 -5.204 26.859 636 HB2 ALA 80 HB2 ALA 80 -7.448 -4.229 26.045 637 HB3 ALA 80 HB3 ALA 80 -8.370 -3.549 27.384 638 H LEU 81 HN LEU 81 -8.275 -6.985 28.543 639 HA LEU 81 HA LEU 81 -9.518 -6.050 30.922 640 HB2 LEU 81 HB2 LEU 81 -9.140 -8.863 29.886 641 HB3 LEU 81 HB1 LEU 81 -10.240 -8.404 31.181 642 HG LEU 81 HG LEU 81 -10.339 -7.217 28.394 643 HD11 LEU 81 HD11 LEU 81 -10.832 -9.585 28.185 644 HD12 LEU 81 HD12 LEU 81 -12.365 -8.714 28.125 645 HD13 LEU 81 HD13 LEU 81 -11.877 -9.542 29.604 646 HD21 LEU 81 HD21 LEU 81 -12.066 -7.039 30.874 647 HD22 LEU 81 HD22 LEU 81 -12.779 -6.796 29.282 648 HD23 LEU 81 HD23 LEU 81 -11.484 -5.744 29.831 649 H GLY 82 HN GLY 82 -6.575 -7.839 30.279 650 HA2 GLY 82 HA2 GLY 82 -4.736 -8.068 31.677 651 HA3 GLY 82 HA1 GLY 82 -5.653 -7.314 32.976 652 H LEU 83 HN LEU 83 -6.003 -10.272 31.002 653 HA LEU 83 HA LEU 83 -7.144 -11.790 33.100 654 HB2 LEU 83 HB2 LEU 83 -5.924 -12.424 30.426 655 HB3 LEU 83 HB1 LEU 83 -6.275 -13.753 31.527 656 HG LEU 83 HG LEU 83 -8.152 -13.224 29.929 657 HD11 LEU 83 HD11 LEU 83 -9.266 -12.569 32.630 658 HD12 LEU 83 HD12 LEU 83 -8.309 -14.044 32.530 659 HD13 LEU 83 HD13 LEU 83 -9.717 -13.837 31.500 660 HD21 LEU 83 HD21 LEU 83 -7.658 -10.683 30.136 661 HD22 LEU 83 HD22 LEU 83 -8.607 -10.757 31.617 662 HD23 LEU 83 HD23 LEU 83 -9.345 -11.184 30.076 663 H GLU 84 HN GLU 84 -3.835 -11.450 31.944 664 HA GLU 84 HA GLU 84 -2.923 -12.959 34.345 665 HB2 GLU 84 HB2 GLU 84 -1.620 -12.719 31.619 666 HB3 GLU 84 HB1 GLU 84 -0.908 -13.517 33.021 667 HG2 GLU 84 HG2 GLU 84 -3.567 -14.285 31.788 668 HG3 GLU 84 HG1 GLU 84 -2.045 -15.113 31.466 669 H HIS 85 HN HIS 85 -2.839 -11.105 35.641 670 HA HIS 85 HA HIS 85 -1.599 -8.678 34.949 671 HB2 HIS 85 HB2 HIS 85 -2.023 -10.050 37.609 672 HB3 HIS 85 HB1 HIS 85 -1.307 -8.443 37.470 673 HD2 HIS 85 HD2 HIS 85 -3.152 -6.390 37.069 674 HE1 HIS 85 HE1 HIS 85 -6.545 -8.821 36.441 675 HE2 HIS 85 HE2 HIS 85 -5.741 -6.430 36.733 676 H HIS 86 HN HIS 86 -0.293 -11.607 36.472 677 HA HIS 86 HA HIS 86 2.413 -10.478 36.462 678 HB2 HIS 86 HB2 HIS 86 1.275 -13.084 37.491 679 HB3 HIS 86 HB1 HIS 86 2.991 -12.679 37.537 680 HD2 HIS 86 HD2 HIS 86 3.717 -10.806 39.515 681 HE1 HIS 86 HE1 HIS 86 -0.164 -10.207 41.066 682 HE2 HIS 86 HE2 HIS 86 2.303 -9.716 41.420 683 H HIS 87 HN HIS 87 4.173 -12.055 35.722 684 HA HIS 87 HA HIS 87 3.408 -13.667 33.391 685 HB2 HIS 87 HB2 HIS 87 5.098 -12.515 31.975 686 HB3 HIS 87 HB1 HIS 87 3.749 -11.467 32.416 687 HD2 HIS 87 HD2 HIS 87 7.580 -11.859 33.251 688 HE1 HIS 87 HE1 HIS 87 6.215 -8.245 34.951 689 HE2 HIS 87 HE2 HIS 87 8.268 -9.662 34.481 690 H HIS 88 HN HIS 88 5.137 -15.028 32.631 691 HA HIS 88 HA HIS 88 7.065 -15.673 34.785 692 HB2 HIS 88 HB2 HIS 88 7.190 -17.883 33.751 693 HB3 HIS 88 HB1 HIS 88 5.514 -17.468 34.110 694 HD2 HIS 88 HD2 HIS 88 7.793 -18.110 30.997 695 HE1 HIS 88 HE1 HIS 88 3.897 -17.294 29.593 696 HE2 HIS 88 HE2 HIS 88 6.217 -18.074 28.916 697 H HIS 89 HN HIS 89 9.052 -14.930 34.494 698 HA HIS 89 HA HIS 89 10.497 -15.418 32.066 699 HB2 HIS 89 HB2 HIS 89 9.239 -13.403 31.390 700 HB3 HIS 89 HB1 HIS 89 9.895 -12.538 32.780 701 HD2 HIS 89 HD2 HIS 89 11.073 -13.794 29.259 702 HE1 HIS 89 HE1 HIS 89 14.263 -11.653 31.008 703 HE2 HIS 89 HE2 HIS 89 13.446 -12.774 28.881 704 H HIS 90 HN HIS 90 12.548 -15.781 32.626 705 HA HIS 90 HA HIS 90 13.440 -15.285 35.312 706 HB2 HIS 90 HB2 HIS 90 14.128 -17.296 34.063 707 HB3 HIS 90 HB1 HIS 90 14.978 -16.278 32.901 708 HD2 HIS 90 HD2 HIS 90 17.587 -15.730 33.639 709 HE1 HIS 90 HE1 HIS 90 17.270 -16.746 37.725 710 HE2 HIS 90 HE2 HIS 90 18.870 -16.008 35.897 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -8.732 4.616 22.816 2 H2 MET 1 HT2 MET 1 -8.483 6.209 23.353 3 H3 MET 1 HT3 MET 1 -9.504 5.166 24.222 4 HA MET 1 HA MET 1 -6.568 5.206 24.077 5 HB2 MET 1 HB2 MET 1 -8.700 5.049 26.213 6 HB3 MET 1 HB1 MET 1 -7.020 4.644 26.567 7 HG2 MET 1 HG2 MET 1 -7.410 6.998 27.091 8 HG3 MET 1 HG1 MET 1 -6.335 6.881 25.697 9 HE1 MET 1 HE1 MET 1 -10.188 6.828 26.559 10 HE2 MET 1 HE2 MET 1 -10.604 8.429 25.955 11 HE3 MET 1 HE3 MET 1 -9.389 8.262 27.219 12 H GLY 2 HN GLY 2 -5.698 3.279 25.488 13 HA2 GLY 2 HA2 GLY 2 -5.504 0.992 25.863 14 HA3 GLY 2 HA1 GLY 2 -7.087 0.764 25.128 15 H GLN 3 HN GLN 3 -5.483 2.672 23.024 16 HA GLN 3 HA GLN 3 -4.572 2.321 20.946 17 HB2 GLN 3 HB2 GLN 3 -3.153 0.212 22.578 18 HB3 GLN 3 HB1 GLN 3 -2.785 0.495 20.876 19 HG2 GLN 3 HG2 GLN 3 -1.258 1.793 22.272 20 HG3 GLN 3 HG1 GLN 3 -2.334 2.881 21.398 21 HE21 GLN 3 HE21 GLN 3 -2.509 4.602 22.901 22 HE22 GLN 3 HE22 GLN 3 -3.093 4.410 24.483 23 H ILE 4 HN ILE 4 -7.063 1.445 20.952 24 HA ILE 4 HA ILE 4 -7.166 -1.338 20.058 25 HB ILE 4 HB ILE 4 -9.432 0.599 20.167 26 HG12 ILE 4 HG12 ILE 4 -8.443 0.626 22.375 27 HG13 ILE 4 HG11 ILE 4 -9.880 -0.393 22.439 28 HG21 ILE 4 HG21 ILE 4 -9.232 -2.419 20.292 29 HG22 ILE 4 HG22 ILE 4 -9.877 -1.469 18.954 30 HG23 ILE 4 HG23 ILE 4 -10.729 -1.509 20.498 31 HD11 ILE 4 HD11 ILE 4 -8.281 -2.367 21.961 32 HD12 ILE 4 HD12 ILE 4 -8.216 -1.650 23.571 33 HD13 ILE 4 HD13 ILE 4 -6.986 -1.247 22.375 34 H PHE 5 HN PHE 5 -7.382 -1.987 17.998 35 HA PHE 5 HA PHE 5 -6.705 -0.256 15.887 36 HB2 PHE 5 HB2 PHE 5 -8.011 -2.987 15.891 37 HB3 PHE 5 HB1 PHE 5 -7.488 -2.162 14.422 38 HD1 PHE 5 HD1 PHE 5 -4.990 -1.136 14.613 39 HD2 PHE 5 HD2 PHE 5 -6.490 -4.485 16.849 40 HE1 PHE 5 HE1 PHE 5 -2.675 -1.925 14.983 41 HE2 PHE 5 HE2 PHE 5 -4.169 -5.270 17.213 42 HZ PHE 5 HZ PHE 5 -2.263 -3.991 16.285 43 H THR 6 HN THR 6 -7.885 0.891 14.439 44 HA THR 6 HA THR 6 -10.628 1.477 15.129 45 HB THR 6 HB THR 6 -9.055 2.440 12.735 46 HG1 THR 6 HG1 THR 6 -9.361 3.861 15.134 47 HG21 THR 6 HG21 THR 6 -11.519 3.411 14.193 48 HG22 THR 6 HG22 THR 6 -11.377 2.952 12.497 49 HG23 THR 6 HG23 THR 6 -10.608 4.429 13.078 50 H VAL 7 HN VAL 7 -12.390 1.390 13.591 51 HA VAL 7 HA VAL 7 -12.667 -1.148 12.388 52 HB VAL 7 HB VAL 7 -14.303 1.377 12.073 53 HG11 VAL 7 HG11 VAL 7 -14.768 -1.457 11.116 54 HG12 VAL 7 HG12 VAL 7 -14.777 0.020 10.153 55 HG13 VAL 7 HG13 VAL 7 -16.075 -0.288 11.306 56 HG21 VAL 7 HG21 VAL 7 -15.838 0.173 13.620 57 HG22 VAL 7 HG22 VAL 7 -14.262 0.470 14.352 58 HG23 VAL 7 HG23 VAL 7 -14.660 -1.135 13.740 59 H GLN 8 HN GLN 8 -12.032 2.062 11.034 60 HA GLN 8 HA GLN 8 -12.265 1.626 8.350 61 HB2 GLN 8 HB2 GLN 8 -11.582 3.778 9.396 62 HB3 GLN 8 HB1 GLN 8 -9.972 3.104 9.656 63 HG2 GLN 8 HG2 GLN 8 -9.675 2.787 7.251 64 HG3 GLN 8 HG1 GLN 8 -11.314 3.360 6.951 65 HE21 GLN 8 HE21 GLN 8 -11.364 5.511 6.314 66 HE22 GLN 8 HE22 GLN 8 -10.251 6.698 6.796 67 H GLU 9 HN GLU 9 -9.665 0.540 10.463 68 HA GLU 9 HA GLU 9 -7.922 -0.368 8.407 69 HB2 GLU 9 HB2 GLU 9 -8.181 -1.129 11.321 70 HB3 GLU 9 HB1 GLU 9 -6.896 -1.721 10.266 71 HG2 GLU 9 HG2 GLU 9 -6.173 0.577 9.815 72 HG3 GLU 9 HG1 GLU 9 -7.491 1.205 10.803 73 H LEU 10 HN LEU 10 -10.483 -1.925 10.280 74 HA LEU 10 HA LEU 10 -10.055 -4.546 9.278 75 HB2 LEU 10 HB2 LEU 10 -12.336 -3.157 10.660 76 HB3 LEU 10 HB1 LEU 10 -12.552 -4.790 10.025 77 HG LEU 10 HG LEU 10 -11.807 -4.706 12.434 78 HD11 LEU 10 HD11 LEU 10 -9.518 -6.000 11.013 79 HD12 LEU 10 HD12 LEU 10 -11.133 -6.533 10.539 80 HD13 LEU 10 HD13 LEU 10 -10.619 -6.661 12.220 81 HD21 LEU 10 HD21 LEU 10 -9.133 -3.835 11.318 82 HD22 LEU 10 HD22 LEU 10 -9.620 -3.939 13.011 83 HD23 LEU 10 HD23 LEU 10 -10.294 -2.682 11.973 84 H LYS 11 HN LYS 11 -12.006 -1.838 8.185 85 HA LYS 11 HA LYS 11 -13.561 -3.172 6.281 86 HB2 LYS 11 HB2 LYS 11 -12.497 -0.342 6.318 87 HB3 LYS 11 HB1 LYS 11 -13.705 -0.932 5.176 88 HG2 LYS 11 HG2 LYS 11 -15.200 -1.525 7.033 89 HG3 LYS 11 HG1 LYS 11 -13.983 -0.997 8.195 90 HD2 LYS 11 HD2 LYS 11 -15.403 0.880 8.038 91 HD3 LYS 11 HD1 LYS 11 -14.086 1.285 6.939 92 HE2 LYS 11 HE2 LYS 11 -15.394 0.641 5.018 93 HE3 LYS 11 HE1 LYS 11 -16.659 -0.040 6.039 94 HZ1 LYS 11 HZ1 LYS 11 -16.063 2.683 6.675 95 HZ2 LYS 11 HZ2 LYS 11 -17.558 1.946 6.343 96 HZ3 LYS 11 HZ3 LYS 11 -16.575 2.494 5.070 97 H GLU 12 HN GLU 12 -10.311 -1.778 6.055 98 HA GLU 12 HA GLU 12 -9.965 -2.141 3.272 99 HB2 GLU 12 HB2 GLU 12 -7.925 -2.078 5.511 100 HB3 GLU 12 HB1 GLU 12 -7.536 -1.973 3.794 101 HG2 GLU 12 HG2 GLU 12 -9.362 -0.050 5.263 102 HG3 GLU 12 HG1 GLU 12 -7.668 0.267 4.894 103 H ARG 13 HN ARG 13 -9.161 -4.205 6.046 104 HA ARG 13 HA ARG 13 -8.005 -6.292 4.492 105 HB2 ARG 13 HB2 ARG 13 -9.170 -6.286 7.284 106 HB3 ARG 13 HB1 ARG 13 -8.280 -7.638 6.582 107 HG2 ARG 13 HG2 ARG 13 -7.056 -4.879 6.624 108 HG3 ARG 13 HG1 ARG 13 -6.983 -5.901 8.058 109 HD2 ARG 13 HD2 ARG 13 -5.945 -7.702 6.664 110 HD3 ARG 13 HD1 ARG 13 -5.918 -6.592 5.300 111 HE ARG 13 HE ARG 13 -4.625 -5.556 7.665 112 HH11 ARG 13 HH21 ARG 13 -4.356 -7.464 4.790 113 HH12 ARG 13 HH22 ARG 13 -2.642 -7.255 4.644 114 HH21 ARG 13 HH11 ARG 13 -2.380 -5.278 7.483 115 HH22 ARG 13 HH12 ARG 13 -1.524 -6.017 6.171 116 H ALA 14 HN ALA 14 -11.243 -5.612 5.647 117 HA ALA 14 HA ALA 14 -12.350 -8.147 4.933 118 HB1 ALA 14 HB1 ALA 14 -13.585 -5.454 5.517 119 HB2 ALA 14 HB2 ALA 14 -13.525 -6.870 6.566 120 HB3 ALA 14 HB3 ALA 14 -14.543 -6.883 5.125 121 H LYS 15 HN LYS 15 -11.232 -5.586 3.081 122 HA LYS 15 HA LYS 15 -13.076 -5.307 1.017 123 HB2 LYS 15 HB2 LYS 15 -10.979 -3.969 1.264 124 HB3 LYS 15 HB1 LYS 15 -10.063 -5.369 0.706 125 HG2 LYS 15 HG2 LYS 15 -11.291 -5.354 -1.411 126 HG3 LYS 15 HG1 LYS 15 -12.267 -3.995 -0.849 127 HD2 LYS 15 HD2 LYS 15 -10.204 -2.631 -0.621 128 HD3 LYS 15 HD1 LYS 15 -9.261 -3.982 -1.253 129 HE2 LYS 15 HE2 LYS 15 -11.559 -2.696 -2.732 130 HE3 LYS 15 HE1 LYS 15 -9.870 -2.263 -2.983 131 HZ1 LYS 15 HZ1 LYS 15 -11.033 -4.973 -3.343 132 HZ2 LYS 15 HZ2 LYS 15 -9.406 -4.552 -3.591 133 HZ3 LYS 15 HZ3 LYS 15 -10.615 -3.906 -4.594 134 H VAL 16 HN VAL 16 -10.839 -7.918 1.700 135 HA VAL 16 HA VAL 16 -11.158 -9.195 -0.868 136 HB VAL 16 HB VAL 16 -9.846 -10.989 0.081 137 HG11 VAL 16 HG11 VAL 16 -8.862 -8.351 1.207 138 HG12 VAL 16 HG12 VAL 16 -8.703 -8.831 -0.482 139 HG13 VAL 16 HG13 VAL 16 -7.873 -9.747 0.777 140 HG21 VAL 16 HG21 VAL 16 -10.622 -9.682 2.695 141 HG22 VAL 16 HG22 VAL 16 -9.198 -10.718 2.588 142 HG23 VAL 16 HG23 VAL 16 -10.793 -11.370 2.217 143 H PHE 17 HN PHE 17 -12.587 -10.746 -1.445 144 HA PHE 17 HA PHE 17 -14.934 -11.131 0.142 145 HB2 PHE 17 HB2 PHE 17 -13.967 -12.437 -2.409 146 HB3 PHE 17 HB1 PHE 17 -15.543 -12.754 -1.683 147 HD1 PHE 17 HD1 PHE 17 -17.244 -10.966 -1.525 148 HD2 PHE 17 HD2 PHE 17 -13.480 -10.329 -3.494 149 HE1 PHE 17 HE1 PHE 17 -18.148 -8.917 -2.592 150 HE2 PHE 17 HE2 PHE 17 -14.384 -8.280 -4.561 151 HZ PHE 17 HZ PHE 17 -16.718 -7.574 -4.110 152 H ALA 18 HN ALA 18 -15.593 -12.889 1.314 153 HA ALA 18 HA ALA 18 -14.220 -15.396 1.308 154 HB1 ALA 18 HB1 ALA 18 -13.722 -13.501 3.614 155 HB2 ALA 18 HB2 ALA 18 -12.517 -14.218 2.546 156 HB3 ALA 18 HB3 ALA 18 -13.405 -15.235 3.679 157 H LYS 19 HN LYS 19 -15.674 -13.537 3.951 158 HA LYS 19 HA LYS 19 -17.584 -15.674 4.375 159 HB2 LYS 19 HB2 LYS 19 -18.251 -13.922 6.308 160 HB3 LYS 19 HB1 LYS 19 -16.889 -15.030 6.475 161 HG2 LYS 19 HG2 LYS 19 -16.288 -12.706 7.052 162 HG3 LYS 19 HG1 LYS 19 -15.359 -13.308 5.679 163 HD2 LYS 19 HD2 LYS 19 -16.575 -12.019 4.121 164 HD3 LYS 19 HD1 LYS 19 -17.943 -11.813 5.213 165 HE2 LYS 19 HE2 LYS 19 -15.213 -10.670 5.813 166 HE3 LYS 19 HE1 LYS 19 -16.429 -9.775 4.900 167 HZ1 LYS 19 HZ1 LYS 19 -17.849 -10.647 6.995 168 HZ2 LYS 19 HZ2 LYS 19 -17.099 -9.125 6.918 169 HZ3 LYS 19 HZ3 LYS 19 -16.332 -10.413 7.717 170 HA PRO 20 HA PRO 20 -21.173 -13.969 2.450 171 HB2 PRO 20 HB2 PRO 20 -22.511 -13.981 5.134 172 HB3 PRO 20 HB1 PRO 20 -23.059 -14.691 3.603 173 HG2 PRO 20 HG2 PRO 20 -22.059 -16.194 5.585 174 HG3 PRO 20 HG1 PRO 20 -21.793 -16.589 3.877 175 HD2 PRO 20 HD2 PRO 20 -19.875 -15.481 5.869 176 HD3 PRO 20 HD1 PRO 20 -19.577 -16.471 4.425 177 H ILE 21 HN ILE 21 -22.060 -11.965 2.042 178 HA ILE 21 HA ILE 21 -20.915 -9.704 3.398 179 HB ILE 21 HB ILE 21 -23.149 -9.649 1.370 180 HG12 ILE 21 HG12 ILE 21 -21.421 -11.060 0.429 181 HG13 ILE 21 HG11 ILE 21 -21.281 -9.467 -0.318 182 HG21 ILE 21 HG21 ILE 21 -20.875 -7.723 1.925 183 HG22 ILE 21 HG22 ILE 21 -22.501 -7.542 2.583 184 HG23 ILE 21 HG23 ILE 21 -22.241 -7.461 0.840 185 HD11 ILE 21 HD11 ILE 21 -19.518 -10.727 1.779 186 HD12 ILE 21 HD12 ILE 21 -19.567 -8.975 1.591 187 HD13 ILE 21 HD13 ILE 21 -19.053 -9.995 0.246 188 H GLY 22 HN GLY 22 -21.758 -8.516 4.989 189 HA2 GLY 22 HA2 GLY 22 -23.365 -7.530 6.355 190 HA3 GLY 22 HA1 GLY 22 -24.616 -8.387 5.461 191 H ALA 23 HN ALA 23 -25.143 -8.411 7.985 192 HA ALA 23 HA ALA 23 -25.562 -9.742 9.808 193 HB1 ALA 23 HB1 ALA 23 -24.435 -12.049 8.226 194 HB2 ALA 23 HB2 ALA 23 -26.032 -11.379 7.891 195 HB3 ALA 23 HB3 ALA 23 -25.684 -12.081 9.471 196 H SER 24 HN SER 24 -22.745 -11.472 8.500 197 HA SER 24 HA SER 24 -21.455 -11.484 11.070 198 HB2 SER 24 HB2 SER 24 -20.614 -12.404 8.322 199 HB3 SER 24 HB1 SER 24 -19.550 -12.510 9.722 200 HG SER 24 HG SER 24 -21.973 -13.829 9.187 201 H TYR 25 HN TYR 25 -21.177 -9.623 8.103 202 HA TYR 25 HA TYR 25 -18.691 -8.373 8.720 203 HB2 TYR 25 HB2 TYR 25 -19.521 -8.424 6.434 204 HB3 TYR 25 HB1 TYR 25 -20.953 -7.506 6.903 205 HD1 TYR 25 HD1 TYR 25 -17.238 -7.350 6.670 206 HD2 TYR 25 HD2 TYR 25 -20.892 -5.133 7.085 207 HE1 TYR 25 HE1 TYR 25 -15.991 -5.234 6.336 208 HE2 TYR 25 HE2 TYR 25 -19.646 -3.016 6.750 209 HH TYR 25 HH TYR 25 -17.681 -2.123 6.128 210 H GLN 26 HN GLN 26 -22.079 -7.398 9.146 211 HA GLN 26 HA GLN 26 -21.457 -4.876 10.335 212 HB2 GLN 26 HB2 GLN 26 -23.853 -4.875 10.991 213 HB3 GLN 26 HB1 GLN 26 -23.615 -5.230 9.280 214 HG2 GLN 26 HG2 GLN 26 -23.746 -7.670 9.819 215 HG3 GLN 26 HG1 GLN 26 -24.134 -7.242 11.485 216 HE21 GLN 26 HE21 GLN 26 -26.297 -8.204 11.283 217 HE22 GLN 26 HE22 GLN 26 -27.511 -7.429 10.386 218 H GLY 27 HN GLY 27 -22.110 -8.110 11.582 219 HA2 GLY 27 HA2 GLY 27 -22.299 -7.367 14.324 220 HA3 GLY 27 HA1 GLY 27 -22.004 -8.989 13.709 221 H ILE 28 HN ILE 28 -19.645 -8.760 12.405 222 HA ILE 28 HA ILE 28 -17.775 -8.718 14.548 223 HB ILE 28 HB ILE 28 -17.675 -10.137 12.424 224 HG12 ILE 28 HG12 ILE 28 -15.053 -9.687 12.272 225 HG13 ILE 28 HG11 ILE 28 -15.365 -8.626 13.645 226 HG21 ILE 28 HG21 ILE 28 -16.299 -7.720 11.248 227 HG22 ILE 28 HG22 ILE 28 -18.006 -8.050 10.959 228 HG23 ILE 28 HG23 ILE 28 -16.786 -9.207 10.434 229 HD11 ILE 28 HD11 ILE 28 -16.160 -11.541 13.495 230 HD12 ILE 28 HD12 ILE 28 -16.353 -10.486 14.894 231 HD13 ILE 28 HD13 ILE 28 -14.739 -10.931 14.340 232 H LEU 29 HN LEU 29 -18.853 -6.372 12.254 233 HA LEU 29 HA LEU 29 -16.561 -4.621 12.701 234 HB2 LEU 29 HB2 LEU 29 -17.565 -4.801 10.471 235 HB3 LEU 29 HB1 LEU 29 -19.097 -4.210 11.115 236 HG LEU 29 HG LEU 29 -16.779 -2.466 11.779 237 HD11 LEU 29 HD11 LEU 29 -15.950 -2.943 9.618 238 HD12 LEU 29 HD12 LEU 29 -16.862 -1.445 9.421 239 HD13 LEU 29 HD13 LEU 29 -17.565 -2.982 8.915 240 HD21 LEU 29 HD21 LEU 29 -18.369 -0.705 11.157 241 HD22 LEU 29 HD22 LEU 29 -19.181 -1.888 12.182 242 HD23 LEU 29 HD23 LEU 29 -19.447 -1.900 10.440 243 H ASP 30 HN ASP 30 -20.053 -4.636 13.330 244 HA ASP 30 HA ASP 30 -20.146 -2.147 14.662 245 HB2 ASP 30 HB2 ASP 30 -22.148 -3.310 13.796 246 HB3 ASP 30 HB1 ASP 30 -21.952 -4.544 15.040 247 H GLN 31 HN GLN 31 -19.538 -5.435 15.800 248 HA GLN 31 HA GLN 31 -19.715 -4.979 18.552 249 HB2 GLN 31 HB2 GLN 31 -19.528 -7.225 17.479 250 HB3 GLN 31 HB1 GLN 31 -17.831 -6.888 17.147 251 HG2 GLN 31 HG2 GLN 31 -17.978 -8.187 19.189 252 HG3 GLN 31 HG1 GLN 31 -17.476 -6.551 19.607 253 HE21 GLN 31 HE21 GLN 31 -18.433 -6.299 21.658 254 HE22 GLN 31 HE22 GLN 31 -20.096 -6.467 21.952 255 H LEU 32 HN LEU 32 -17.084 -4.411 16.284 256 HA LEU 32 HA LEU 32 -15.036 -3.928 18.157 257 HB2 LEU 32 HB2 LEU 32 -15.487 -2.872 15.361 258 HB3 LEU 32 HB1 LEU 32 -14.008 -2.581 16.279 259 HG LEU 32 HG LEU 32 -15.120 -5.347 15.697 260 HD11 LEU 32 HD11 LEU 32 -14.468 -4.179 13.616 261 HD12 LEU 32 HD12 LEU 32 -13.372 -5.512 13.982 262 HD13 LEU 32 HD13 LEU 32 -12.881 -3.852 14.311 263 HD21 LEU 32 HD21 LEU 32 -13.688 -5.624 17.530 264 HD22 LEU 32 HD22 LEU 32 -12.637 -4.294 17.046 265 HD23 LEU 32 HD23 LEU 32 -12.571 -5.832 16.190 266 H ASP 33 HN ASP 33 -17.500 -1.819 16.774 267 HA ASP 33 HA ASP 33 -16.532 0.616 17.816 268 HB2 ASP 33 HB2 ASP 33 -18.313 0.415 16.092 269 HB3 ASP 33 HB1 ASP 33 -19.411 -0.177 17.339 270 H LEU 34 HN LEU 34 -18.659 -1.854 19.176 271 HA LEU 34 HA LEU 34 -19.339 -0.456 21.546 272 HB2 LEU 34 HB2 LEU 34 -19.450 -3.310 20.639 273 HB3 LEU 34 HB1 LEU 34 -19.667 -2.975 22.360 274 HG LEU 34 HG LEU 34 -21.812 -3.019 21.035 275 HD11 LEU 34 HD11 LEU 34 -21.150 -1.401 23.145 276 HD12 LEU 34 HD12 LEU 34 -22.758 -1.457 22.428 277 HD13 LEU 34 HD13 LEU 34 -21.631 -0.185 21.959 278 HD21 LEU 34 HD21 LEU 34 -22.283 -1.415 19.372 279 HD22 LEU 34 HD22 LEU 34 -20.607 -1.839 19.039 280 HD23 LEU 34 HD23 LEU 34 -20.981 -0.348 19.898 281 H VAL 35 HN VAL 35 -16.680 -2.602 20.718 282 HA VAL 35 HA VAL 35 -15.641 -3.057 23.252 283 HB VAL 35 HB VAL 35 -14.227 -2.703 20.605 284 HG11 VAL 35 HG11 VAL 35 -13.207 -3.543 23.318 285 HG12 VAL 35 HG12 VAL 35 -12.529 -2.346 22.214 286 HG13 VAL 35 HG13 VAL 35 -12.414 -4.064 21.832 287 HG21 VAL 35 HG21 VAL 35 -15.952 -4.607 21.060 288 HG22 VAL 35 HG22 VAL 35 -14.707 -5.266 22.120 289 HG23 VAL 35 HG23 VAL 35 -14.376 -5.047 20.403 290 H HIS 36 HN HIS 36 -15.720 -0.149 21.387 291 HA HIS 36 HA HIS 36 -13.568 1.153 22.826 292 HB2 HIS 36 HB2 HIS 36 -14.171 1.692 20.453 293 HB3 HIS 36 HB1 HIS 36 -15.677 2.391 21.048 294 HD2 HIS 36 HD2 HIS 36 -15.418 5.050 21.746 295 HE1 HIS 36 HE1 HIS 36 -11.223 5.143 22.203 296 HE2 HIS 36 HE2 HIS 36 -13.338 6.547 22.242 297 H GLN 37 HN GLN 37 -17.121 1.391 22.731 298 HA GLN 37 HA GLN 37 -17.162 3.268 24.946 299 HB2 GLN 37 HB2 GLN 37 -19.388 1.824 23.486 300 HB3 GLN 37 HB1 GLN 37 -19.626 3.071 24.710 301 HG2 GLN 37 HG2 GLN 37 -18.049 3.474 22.154 302 HG3 GLN 37 HG1 GLN 37 -19.732 3.953 22.364 303 HE21 GLN 37 HE21 GLN 37 -17.326 5.712 21.927 304 HE22 GLN 37 HE22 GLN 37 -17.302 6.769 23.255 305 H ALA 38 HN ALA 38 -17.273 -0.146 24.498 306 HA ALA 38 HA ALA 38 -18.637 -0.790 26.940 307 HB1 ALA 38 HB1 ALA 38 -17.788 -3.086 26.491 308 HB2 ALA 38 HB2 ALA 38 -16.884 -2.447 25.120 309 HB3 ALA 38 HB3 ALA 38 -18.646 -2.388 25.118 310 H LYS 39 HN LYS 39 -17.794 -1.333 28.909 311 HA LYS 39 HA LYS 39 -14.876 -1.322 29.277 312 HB2 LYS 39 HB2 LYS 39 -16.839 0.536 30.621 313 HB3 LYS 39 HB1 LYS 39 -15.268 0.170 31.328 314 HG2 LYS 39 HG2 LYS 39 -15.468 1.138 28.475 315 HG3 LYS 39 HG1 LYS 39 -15.486 2.286 29.813 316 HD2 LYS 39 HD2 LYS 39 -13.343 1.347 30.632 317 HD3 LYS 39 HD1 LYS 39 -13.304 0.247 29.256 318 HE2 LYS 39 HE2 LYS 39 -13.312 2.165 27.717 319 HE3 LYS 39 HE1 LYS 39 -13.330 3.266 29.096 320 HZ1 LYS 39 HZ1 LYS 39 -11.162 2.988 29.409 321 HZ2 LYS 39 HZ2 LYS 39 -11.112 2.222 27.894 322 HZ3 LYS 39 HZ3 LYS 39 -11.273 1.299 29.311 323 H GLY 40 HN GLY 40 -14.147 -2.502 30.985 324 HA2 GLY 40 HA2 GLY 40 -14.187 -4.050 32.691 325 HA3 GLY 40 HA1 GLY 40 -15.823 -3.511 33.057 326 H ARG 41 HN ARG 41 -17.158 -5.195 33.039 327 HA ARG 41 HA ARG 41 -16.668 -7.648 31.781 328 HB2 ARG 41 HB2 ARG 41 -18.436 -6.849 33.644 329 HB3 ARG 41 HB1 ARG 41 -19.509 -6.821 32.246 330 HG2 ARG 41 HG2 ARG 41 -17.842 -9.181 33.167 331 HG3 ARG 41 HG1 ARG 41 -19.591 -9.025 33.331 332 HD2 ARG 41 HD2 ARG 41 -19.571 -8.699 30.743 333 HD3 ARG 41 HD1 ARG 41 -17.952 -9.387 30.831 334 HE ARG 41 HE ARG 41 -20.460 -10.785 31.321 335 HH11 ARG 41 HH21 ARG 41 -17.008 -10.711 31.581 336 HH12 ARG 41 HH22 ARG 41 -16.848 -12.428 31.737 337 HH21 ARG 41 HH11 ARG 41 -20.256 -13.030 31.526 338 HH22 ARG 41 HH12 ARG 41 -18.688 -13.741 31.708 339 H ASP 42 HN ASP 42 -18.593 -4.864 30.735 340 HA ASP 42 HA ASP 42 -19.766 -5.974 28.463 341 HB2 ASP 42 HB2 ASP 42 -20.298 -3.731 29.417 342 HB3 ASP 42 HB1 ASP 42 -18.767 -3.135 28.776 343 H GLN 43 HN GLN 43 -16.608 -4.381 28.836 344 HA GLN 43 HA GLN 43 -15.874 -4.565 26.095 345 HB2 GLN 43 HB2 GLN 43 -14.804 -3.023 27.706 346 HB3 GLN 43 HB1 GLN 43 -14.077 -4.406 28.523 347 HG2 GLN 43 HG2 GLN 43 -12.901 -5.026 26.453 348 HG3 GLN 43 HG1 GLN 43 -13.655 -3.672 25.612 349 HE21 GLN 43 HE21 GLN 43 -12.297 -1.895 25.473 350 HE22 GLN 43 HE22 GLN 43 -11.117 -1.476 26.619 351 H ILE 44 HN ILE 44 -15.366 -6.659 28.894 352 HA ILE 44 HA ILE 44 -13.620 -8.504 27.642 353 HB ILE 44 HB ILE 44 -15.506 -8.814 29.990 354 HG12 ILE 44 HG12 ILE 44 -12.483 -8.589 29.907 355 HG13 ILE 44 HG11 ILE 44 -13.544 -7.193 30.117 356 HG21 ILE 44 HG21 ILE 44 -13.966 -10.810 30.481 357 HG22 ILE 44 HG22 ILE 44 -13.448 -10.687 28.801 358 HG23 ILE 44 HG23 ILE 44 -15.135 -11.031 29.179 359 HD11 ILE 44 HD11 ILE 44 -13.734 -9.628 31.899 360 HD12 ILE 44 HD12 ILE 44 -14.392 -8.018 32.183 361 HD13 ILE 44 HD13 ILE 44 -12.653 -8.284 32.264 362 H ALA 45 HN ALA 45 -17.149 -8.418 28.017 363 HA ALA 45 HA ALA 45 -17.784 -10.917 26.982 364 HB1 ALA 45 HB1 ALA 45 -19.499 -9.543 27.972 365 HB2 ALA 45 HB2 ALA 45 -19.951 -9.836 26.291 366 HB3 ALA 45 HB3 ALA 45 -19.257 -8.284 26.761 367 H ALA 46 HN ALA 46 -17.162 -7.870 25.272 368 HA ALA 46 HA ALA 46 -17.777 -8.780 22.668 369 HB1 ALA 46 HB1 ALA 46 -17.563 -6.402 23.212 370 HB2 ALA 46 HB2 ALA 46 -16.438 -6.842 21.926 371 HB3 ALA 46 HB3 ALA 46 -15.853 -6.630 23.576 372 H SER 47 HN SER 47 -14.812 -8.830 24.598 373 HA SER 47 HA SER 47 -13.078 -9.701 22.563 374 HB2 SER 47 HB2 SER 47 -12.472 -8.816 24.886 375 HB3 SER 47 HB1 SER 47 -12.792 -10.444 25.469 376 HG SER 47 HG SER 47 -10.911 -10.981 24.728 377 H PHE 48 HN PHE 48 -14.983 -11.497 24.948 378 HA PHE 48 HA PHE 48 -14.086 -14.080 24.270 379 HB2 PHE 48 HB2 PHE 48 -15.356 -13.562 26.329 380 HB3 PHE 48 HB1 PHE 48 -16.792 -13.258 25.352 381 HD1 PHE 48 HD1 PHE 48 -14.229 -15.872 26.119 382 HD2 PHE 48 HD2 PHE 48 -18.203 -15.043 24.709 383 HE1 PHE 48 HE1 PHE 48 -14.736 -18.300 26.116 384 HE2 PHE 48 HE2 PHE 48 -18.707 -17.470 24.707 385 HZ PHE 48 HZ PHE 48 -16.974 -19.098 25.411 386 H GLU 49 HN GLU 49 -16.833 -12.159 23.086 387 HA GLU 49 HA GLU 49 -17.878 -14.157 21.370 388 HB2 GLU 49 HB2 GLU 49 -19.067 -12.069 22.156 389 HB3 GLU 49 HB1 GLU 49 -18.104 -11.172 20.982 390 HG2 GLU 49 HG2 GLU 49 -20.165 -11.697 19.885 391 HG3 GLU 49 HG1 GLU 49 -18.963 -12.801 19.220 392 H LEU 50 HN LEU 50 -15.820 -11.327 20.697 393 HA LEU 50 HA LEU 50 -15.440 -11.859 17.955 394 HB2 LEU 50 HB2 LEU 50 -13.749 -10.342 19.946 395 HB3 LEU 50 HB1 LEU 50 -13.417 -10.378 18.214 396 HG LEU 50 HG LEU 50 -16.065 -9.512 19.407 397 HD11 LEU 50 HD11 LEU 50 -15.334 -7.206 18.932 398 HD12 LEU 50 HD12 LEU 50 -13.763 -7.808 18.410 399 HD13 LEU 50 HD13 LEU 50 -14.257 -7.980 20.095 400 HD21 LEU 50 HD21 LEU 50 -16.579 -10.015 17.191 401 HD22 LEU 50 HD22 LEU 50 -14.944 -9.691 16.618 402 HD23 LEU 50 HD23 LEU 50 -16.032 -8.354 16.988 403 H ASN 51 HN ASN 51 -13.755 -12.976 20.823 404 HA ASN 51 HA ASN 51 -11.430 -13.994 19.724 405 HB2 ASN 51 HB2 ASN 51 -11.805 -14.021 22.117 406 HB3 ASN 51 HB1 ASN 51 -13.160 -15.132 21.931 407 HD21 ASN 51 HD21 ASN 51 -11.718 -16.479 23.483 408 HD22 ASN 51 HD22 ASN 51 -10.552 -17.483 22.766 409 H LYS 52 HN LYS 52 -14.656 -15.477 19.845 410 HA LYS 52 HA LYS 52 -13.917 -17.972 18.739 411 HB2 LYS 52 HB2 LYS 52 -16.522 -16.459 18.772 412 HB3 LYS 52 HB1 LYS 52 -16.369 -18.084 18.103 413 HG2 LYS 52 HG2 LYS 52 -15.448 -18.861 20.286 414 HG3 LYS 52 HG1 LYS 52 -15.724 -17.249 20.947 415 HD2 LYS 52 HD2 LYS 52 -17.951 -18.847 19.672 416 HD3 LYS 52 HD1 LYS 52 -17.557 -19.012 21.382 417 HE2 LYS 52 HE2 LYS 52 -17.806 -16.469 21.538 418 HE3 LYS 52 HE1 LYS 52 -18.518 -16.537 19.925 419 HZ1 LYS 52 HZ1 LYS 52 -20.285 -16.656 21.438 420 HZ2 LYS 52 HZ2 LYS 52 -19.499 -17.807 22.409 421 HZ3 LYS 52 HZ3 LYS 52 -20.074 -18.241 20.869 422 H LYS 53 HN LYS 53 -15.124 -14.984 17.235 423 HA LYS 53 HA LYS 53 -15.192 -15.984 14.585 424 HB2 LYS 53 HB2 LYS 53 -15.087 -13.226 15.786 425 HB3 LYS 53 HB1 LYS 53 -14.984 -13.446 14.040 426 HG2 LYS 53 HG2 LYS 53 -17.315 -13.059 14.832 427 HG3 LYS 53 HG1 LYS 53 -17.119 -14.617 14.028 428 HD2 LYS 53 HD2 LYS 53 -17.190 -15.817 16.051 429 HD3 LYS 53 HD1 LYS 53 -16.811 -14.393 17.016 430 HE2 LYS 53 HE2 LYS 53 -18.983 -13.426 16.526 431 HE3 LYS 53 HE1 LYS 53 -19.374 -14.772 15.454 432 HZ1 LYS 53 HZ1 LYS 53 -19.359 -16.272 17.274 433 HZ2 LYS 53 HZ2 LYS 53 -20.310 -14.946 17.747 434 HZ3 LYS 53 HZ3 LYS 53 -18.722 -15.107 18.329 435 H ILE 54 HN ILE 54 -12.703 -14.205 16.400 436 HA ILE 54 HA ILE 54 -10.867 -14.018 14.244 437 HB ILE 54 HB ILE 54 -10.472 -13.930 17.246 438 HG12 ILE 54 HG12 ILE 54 -10.403 -11.711 15.181 439 HG13 ILE 54 HG11 ILE 54 -11.850 -12.133 16.096 440 HG21 ILE 54 HG21 ILE 54 -8.541 -13.455 14.962 441 HG22 ILE 54 HG22 ILE 54 -8.345 -14.547 16.333 442 HG23 ILE 54 HG23 ILE 54 -8.275 -12.801 16.578 443 HD11 ILE 54 HD11 ILE 54 -10.509 -11.789 18.210 444 HD12 ILE 54 HD12 ILE 54 -10.756 -10.320 17.263 445 HD13 ILE 54 HD13 ILE 54 -9.205 -11.157 17.204 446 H ASN 55 HN ASN 55 -11.188 -16.323 16.935 447 HA ASN 55 HA ASN 55 -8.938 -17.894 16.267 448 HB2 ASN 55 HB2 ASN 55 -11.442 -18.414 17.861 449 HB3 ASN 55 HB1 ASN 55 -10.263 -19.695 17.588 450 HD21 ASN 55 HD21 ASN 55 -10.411 -19.170 20.183 451 HD22 ASN 55 HD22 ASN 55 -9.170 -18.148 20.727 452 H ASP 56 HN ASP 56 -12.354 -18.125 15.372 453 HA ASP 56 HA ASP 56 -12.161 -20.554 13.932 454 HB2 ASP 56 HB2 ASP 56 -14.306 -19.598 14.692 455 HB3 ASP 56 HB1 ASP 56 -14.109 -18.269 13.550 456 H TYR 57 HN TYR 57 -11.754 -17.176 13.009 457 HA TYR 57 HA TYR 57 -11.670 -17.459 10.234 458 HB2 TYR 57 HB2 TYR 57 -11.655 -15.299 11.585 459 HB3 TYR 57 HB1 TYR 57 -9.924 -15.557 11.802 460 HD1 TYR 57 HD1 TYR 57 -12.597 -15.060 9.274 461 HD2 TYR 57 HD2 TYR 57 -8.368 -15.154 10.021 462 HE1 TYR 57 HE1 TYR 57 -12.180 -14.100 7.026 463 HE2 TYR 57 HE2 TYR 57 -7.953 -14.192 7.771 464 HH TYR 57 HH TYR 57 -9.714 -14.278 5.383 465 H ILE 58 HN ILE 58 -9.158 -17.948 12.672 466 HA ILE 58 HA ILE 58 -6.965 -18.242 10.926 467 HB ILE 58 HB ILE 58 -7.505 -19.415 13.666 468 HG12 ILE 58 HG12 ILE 58 -5.677 -17.152 12.818 469 HG13 ILE 58 HG11 ILE 58 -7.337 -16.896 13.366 470 HG21 ILE 58 HG21 ILE 58 -5.050 -19.478 11.898 471 HG22 ILE 58 HG22 ILE 58 -5.843 -20.828 12.705 472 HG23 ILE 58 HG23 ILE 58 -4.939 -19.645 13.651 473 HD11 ILE 58 HD11 ILE 58 -6.752 -18.124 15.481 474 HD12 ILE 58 HD12 ILE 58 -5.860 -16.618 15.270 475 HD13 ILE 58 HD13 ILE 58 -5.075 -18.162 14.939 476 H ALA 59 HN ALA 59 -9.266 -20.611 12.235 477 HA ALA 59 HA ALA 59 -8.075 -22.913 11.123 478 HB1 ALA 59 HB1 ALA 59 -10.224 -23.994 11.510 479 HB2 ALA 59 HB2 ALA 59 -11.006 -22.423 11.700 480 HB3 ALA 59 HB3 ALA 59 -9.817 -22.966 12.884 481 H GLU 60 HN GLU 60 -10.309 -20.534 9.822 482 HA GLU 60 HA GLU 60 -10.999 -21.987 7.464 483 HB2 GLU 60 HB2 GLU 60 -11.123 -19.045 8.143 484 HB3 GLU 60 HB1 GLU 60 -11.737 -19.726 6.636 485 HG2 GLU 60 HG2 GLU 60 -13.270 -21.169 7.868 486 HG3 GLU 60 HG1 GLU 60 -12.612 -20.601 9.401 487 H HIS 61 HN HIS 61 -8.177 -20.379 8.453 488 HA HIS 61 HA HIS 61 -7.106 -20.539 5.706 489 HB2 HIS 61 HB2 HIS 61 -7.716 -18.141 6.468 490 HB3 HIS 61 HB1 HIS 61 -6.342 -18.286 7.563 491 HD2 HIS 61 HD2 HIS 61 -5.035 -20.198 4.736 492 HE1 HIS 61 HE1 HIS 61 -4.344 -16.214 3.534 493 HE2 HIS 61 HE2 HIS 61 -3.764 -18.643 3.074 494 HA PRO 62 HA PRO 62 -4.627 -22.867 8.937 495 HB2 PRO 62 HB2 PRO 62 -4.230 -24.532 6.477 496 HB3 PRO 62 HB1 PRO 62 -4.573 -25.045 8.142 497 HG2 PRO 62 HG2 PRO 62 -6.461 -25.111 6.263 498 HG3 PRO 62 HG1 PRO 62 -6.839 -24.657 7.935 499 HD2 PRO 62 HD2 PRO 62 -6.580 -22.902 5.519 500 HD3 PRO 62 HD1 PRO 62 -7.668 -22.750 6.916 501 H THR 63 HN THR 63 -3.933 -22.005 5.573 502 HA THR 63 HA THR 63 -1.097 -22.163 5.801 503 HB THR 63 HB THR 63 -1.040 -21.093 3.640 504 HG1 THR 63 HG1 THR 63 -2.446 -19.433 3.864 505 HG21 THR 63 HG21 THR 63 -2.417 -22.598 2.389 506 HG22 THR 63 HG22 THR 63 -3.571 -22.745 3.714 507 HG23 THR 63 HG23 THR 63 -1.962 -23.453 3.864 508 H SER 64 HN SER 64 -3.398 -19.914 6.900 509 HA SER 64 HA SER 64 -3.172 -17.944 8.062 510 HB2 SER 64 HB2 SER 64 -0.176 -18.117 7.855 511 HB3 SER 64 HB1 SER 64 -1.168 -17.500 9.175 512 HG SER 64 HG SER 64 -0.769 -19.435 9.940 513 H GLY 65 HN GLY 65 -1.774 -15.746 7.849 514 HA2 GLY 65 HA2 GLY 65 -0.516 -14.560 5.948 515 HA3 GLY 65 HA1 GLY 65 -1.909 -15.031 4.977 516 H ARG 66 HN ARG 66 -4.017 -14.217 5.626 517 HA ARG 66 HA ARG 66 -3.871 -11.436 6.400 518 HB2 ARG 66 HB2 ARG 66 -6.287 -13.153 5.788 519 HB3 ARG 66 HB1 ARG 66 -6.253 -11.394 5.877 520 HG2 ARG 66 HG2 ARG 66 -4.497 -12.938 3.958 521 HG3 ARG 66 HG1 ARG 66 -6.125 -12.419 3.525 522 HD2 ARG 66 HD2 ARG 66 -5.435 -10.061 4.140 523 HD3 ARG 66 HD1 ARG 66 -3.785 -10.652 4.305 524 HE ARG 66 HE ARG 66 -5.258 -10.289 1.826 525 HH11 ARG 66 HH21 ARG 66 -2.579 -11.721 3.486 526 HH12 ARG 66 HH22 ARG 66 -1.621 -11.917 2.056 527 HH21 ARG 66 HH11 ARG 66 -4.010 -10.537 -0.046 528 HH22 ARG 66 HH12 ARG 66 -2.433 -11.246 0.054 529 H ASN 67 HN ASN 67 -4.194 -14.338 8.046 530 HA ASN 67 HA ASN 67 -6.044 -13.681 10.069 531 HB2 ASN 67 HB2 ASN 67 -3.609 -15.466 10.274 532 HB3 ASN 67 HB1 ASN 67 -5.007 -15.476 11.347 533 HD21 ASN 67 HD21 ASN 67 -6.494 -14.838 8.558 534 HD22 ASN 67 HD22 ASN 67 -6.755 -16.404 7.959 535 H GLN 68 HN GLN 68 -2.571 -13.096 9.747 536 HA GLN 68 HA GLN 68 -1.834 -12.295 12.252 537 HB2 GLN 68 HB2 GLN 68 -1.137 -11.038 9.592 538 HB3 GLN 68 HB1 GLN 68 -0.331 -10.623 11.104 539 HG2 GLN 68 HG2 GLN 68 0.360 -12.950 11.409 540 HG3 GLN 68 HG1 GLN 68 -0.505 -13.420 9.948 541 HE21 GLN 68 HE21 GLN 68 1.976 -14.130 9.588 542 HE22 GLN 68 HE22 GLN 68 2.912 -12.994 8.742 543 H ALA 69 HN ALA 69 -4.164 -10.792 10.200 544 HA ALA 69 HA ALA 69 -4.102 -8.225 11.558 545 HB1 ALA 69 HB1 ALA 69 -6.242 -9.291 9.712 546 HB2 ALA 69 HB2 ALA 69 -4.748 -8.551 9.134 547 HB3 ALA 69 HB3 ALA 69 -5.887 -7.607 10.094 548 H LEU 70 HN LEU 70 -6.633 -10.718 11.168 549 HA LEU 70 HA LEU 70 -8.238 -9.742 13.286 550 HB2 LEU 70 HB2 LEU 70 -8.131 -12.412 11.881 551 HB3 LEU 70 HB1 LEU 70 -9.336 -12.021 13.110 552 HG LEU 70 HG LEU 70 -8.873 -10.282 10.674 553 HD11 LEU 70 HD11 LEU 70 -9.523 -12.365 9.736 554 HD12 LEU 70 HD12 LEU 70 -11.011 -11.423 9.833 555 HD13 LEU 70 HD13 LEU 70 -10.681 -12.675 11.030 556 HD21 LEU 70 HD21 LEU 70 -10.121 -9.026 12.230 557 HD22 LEU 70 HD22 LEU 70 -10.968 -10.443 12.848 558 HD23 LEU 70 HD23 LEU 70 -11.390 -9.780 11.270 559 H THR 71 HN THR 71 -5.812 -12.299 13.124 560 HA THR 71 HA THR 71 -6.180 -13.368 15.688 561 HB THR 71 HB THR 71 -3.652 -13.155 14.040 562 HG1 THR 71 HG1 THR 71 -4.484 -14.749 12.981 563 HG21 THR 71 HG21 THR 71 -4.363 -14.763 16.501 564 HG22 THR 71 HG22 THR 71 -3.021 -13.635 16.301 565 HG23 THR 71 HG23 THR 71 -3.013 -15.176 15.444 566 H GLN 72 HN GLN 72 -4.078 -10.732 14.576 567 HA GLN 72 HA GLN 72 -2.869 -10.218 17.083 568 HB2 GLN 72 HB2 GLN 72 -3.260 -8.610 14.571 569 HB3 GLN 72 HB1 GLN 72 -2.520 -7.880 15.996 570 HG2 GLN 72 HG2 GLN 72 -0.778 -9.575 16.020 571 HG3 GLN 72 HG1 GLN 72 -1.549 -10.444 14.696 572 HE21 GLN 72 HE21 GLN 72 1.180 -9.186 14.760 573 HE22 GLN 72 HE22 GLN 72 1.194 -8.073 13.479 574 H LEU 73 HN LEU 73 -5.944 -9.318 15.717 575 HA LEU 73 HA LEU 73 -6.514 -7.096 17.341 576 HB2 LEU 73 HB2 LEU 73 -7.797 -8.229 15.270 577 HB3 LEU 73 HB1 LEU 73 -8.740 -8.954 16.570 578 HG LEU 73 HG LEU 73 -8.242 -5.993 16.191 579 HD11 LEU 73 HD11 LEU 73 -10.437 -5.821 15.387 580 HD12 LEU 73 HD12 LEU 73 -10.895 -7.410 16.002 581 HD13 LEU 73 HD13 LEU 73 -9.840 -7.276 14.595 582 HD21 LEU 73 HD21 LEU 73 -10.173 -5.995 17.986 583 HD22 LEU 73 HD22 LEU 73 -8.506 -6.236 18.504 584 HD23 LEU 73 HD23 LEU 73 -9.585 -7.621 18.346 585 H LYS 74 HN LYS 74 -7.054 -10.566 17.822 586 HA LYS 74 HA LYS 74 -8.502 -10.403 20.228 587 HB2 LYS 74 HB2 LYS 74 -8.314 -12.474 18.924 588 HB3 LYS 74 HB1 LYS 74 -6.594 -12.565 19.302 589 HG2 LYS 74 HG2 LYS 74 -7.102 -12.760 21.695 590 HG3 LYS 74 HG1 LYS 74 -8.825 -12.582 21.360 591 HD2 LYS 74 HD2 LYS 74 -8.769 -14.644 20.005 592 HD3 LYS 74 HD1 LYS 74 -7.050 -14.823 20.360 593 HE2 LYS 74 HE2 LYS 74 -9.205 -14.690 22.484 594 HE3 LYS 74 HE1 LYS 74 -8.534 -16.197 21.858 595 HZ1 LYS 74 HZ1 LYS 74 -7.517 -14.619 23.885 596 HZ2 LYS 74 HZ2 LYS 74 -6.460 -14.410 22.571 597 HZ3 LYS 74 HZ3 LYS 74 -6.781 -15.968 23.169 598 H GLU 75 HN GLU 75 -5.007 -10.735 19.647 599 HA GLU 75 HA GLU 75 -4.218 -10.845 22.346 600 HB2 GLU 75 HB2 GLU 75 -2.756 -9.851 19.887 601 HB3 GLU 75 HB1 GLU 75 -1.993 -10.064 21.464 602 HG2 GLU 75 HG2 GLU 75 -2.583 -12.443 21.457 603 HG3 GLU 75 HG1 GLU 75 -3.420 -12.247 19.917 604 H GLN 76 HN GLN 76 -4.927 -8.135 20.209 605 HA GLN 76 HA GLN 76 -3.847 -6.078 21.823 606 HB2 GLN 76 HB2 GLN 76 -4.545 -5.826 19.438 607 HB3 GLN 76 HB1 GLN 76 -6.227 -5.908 19.962 608 HG2 GLN 76 HG2 GLN 76 -5.870 -3.939 21.411 609 HG3 GLN 76 HG1 GLN 76 -4.193 -3.851 20.873 610 HE21 GLN 76 HE21 GLN 76 -3.879 -2.394 19.195 611 HE22 GLN 76 HE22 GLN 76 -5.053 -1.955 18.052 612 H VAL 77 HN VAL 77 -7.229 -7.183 21.477 613 HA VAL 77 HA VAL 77 -8.261 -5.606 23.580 614 HB VAL 77 HB VAL 77 -9.267 -8.205 22.399 615 HG11 VAL 77 HG11 VAL 77 -11.474 -7.339 23.370 616 HG12 VAL 77 HG12 VAL 77 -10.497 -6.238 24.342 617 HG13 VAL 77 HG13 VAL 77 -10.314 -7.980 24.534 618 HG21 VAL 77 HG21 VAL 77 -10.838 -6.642 21.227 619 HG22 VAL 77 HG22 VAL 77 -9.152 -6.391 20.774 620 HG23 VAL 77 HG23 VAL 77 -9.935 -5.286 21.904 621 H THR 78 HN THR 78 -7.106 -8.961 23.490 622 HA THR 78 HA THR 78 -7.700 -9.642 26.149 623 HB THR 78 HB THR 78 -5.343 -10.663 24.555 624 HG1 THR 78 HG1 THR 78 -6.840 -12.163 23.739 625 HG21 THR 78 HG21 THR 78 -5.496 -11.330 26.944 626 HG22 THR 78 HG22 THR 78 -5.721 -12.698 25.855 627 HG23 THR 78 HG23 THR 78 -7.116 -11.960 26.644 628 H SER 79 HN SER 79 -4.805 -8.186 24.712 629 HA SER 79 HA SER 79 -3.211 -8.169 27.035 630 HB2 SER 79 HB2 SER 79 -2.315 -7.752 24.773 631 HB3 SER 79 HB1 SER 79 -3.192 -6.226 24.712 632 HG SER 79 HG SER 79 -1.932 -5.448 26.351 633 H ALA 80 HN ALA 80 -5.569 -5.855 25.765 634 HA ALA 80 HA ALA 80 -5.102 -3.719 27.492 635 HB1 ALA 80 HB1 ALA 80 -6.697 -3.836 25.495 636 HB2 ALA 80 HB2 ALA 80 -7.256 -2.931 26.902 637 HB3 ALA 80 HB3 ALA 80 -7.855 -4.563 26.608 638 H LEU 81 HN LEU 81 -7.051 -6.632 27.962 639 HA LEU 81 HA LEU 81 -8.148 -5.880 30.473 640 HB2 LEU 81 HB2 LEU 81 -7.618 -8.662 29.412 641 HB3 LEU 81 HB1 LEU 81 -8.754 -8.224 30.690 642 HG LEU 81 HG LEU 81 -8.888 -7.238 27.825 643 HD11 LEU 81 HD11 LEU 81 -10.364 -9.423 29.320 644 HD12 LEU 81 HD12 LEU 81 -9.470 -9.563 27.806 645 HD13 LEU 81 HD13 LEU 81 -11.004 -8.695 27.848 646 HD21 LEU 81 HD21 LEU 81 -11.312 -6.683 28.748 647 HD22 LEU 81 HD22 LEU 81 -9.976 -5.580 29.064 648 HD23 LEU 81 HD23 LEU 81 -10.501 -6.704 30.318 649 H GLY 82 HN GLY 82 -5.119 -7.349 29.507 650 HA2 GLY 82 HA2 GLY 82 -3.165 -7.620 30.705 651 HA3 GLY 82 HA1 GLY 82 -3.935 -6.803 32.061 652 H LEU 83 HN LEU 83 -5.373 -9.600 30.540 653 HA LEU 83 HA LEU 83 -5.616 -11.011 32.981 654 HB2 LEU 83 HB2 LEU 83 -5.909 -11.871 30.102 655 HB3 LEU 83 HB1 LEU 83 -6.253 -12.940 31.462 656 HG LEU 83 HG LEU 83 -7.521 -10.207 31.162 657 HD11 LEU 83 HD11 LEU 83 -8.213 -11.448 29.221 658 HD12 LEU 83 HD12 LEU 83 -9.546 -11.503 30.374 659 HD13 LEU 83 HD13 LEU 83 -8.490 -12.902 30.181 660 HD21 LEU 83 HD21 LEU 83 -7.869 -10.855 33.382 661 HD22 LEU 83 HD22 LEU 83 -7.913 -12.573 32.993 662 HD23 LEU 83 HD23 LEU 83 -9.295 -11.545 32.614 663 H GLU 84 HN GLU 84 -3.354 -11.289 30.282 664 HA GLU 84 HA GLU 84 -1.362 -12.408 30.072 665 HB2 GLU 84 HB2 GLU 84 -1.400 -12.039 33.078 666 HB3 GLU 84 HB1 GLU 84 0.002 -12.582 32.158 667 HG2 GLU 84 HG2 GLU 84 -1.455 -9.972 31.657 668 HG3 GLU 84 HG1 GLU 84 0.012 -10.117 32.623 669 H HIS 85 HN HIS 85 -0.068 -14.350 31.344 670 HA HIS 85 HA HIS 85 -1.841 -16.621 31.021 671 HB2 HIS 85 HB2 HIS 85 1.107 -16.411 31.668 672 HB3 HIS 85 HB1 HIS 85 0.250 -17.935 31.444 673 HD2 HIS 85 HD2 HIS 85 -1.342 -15.762 28.901 674 HE1 HIS 85 HE1 HIS 85 2.108 -17.209 26.946 675 HE2 HIS 85 HE2 HIS 85 -0.124 -16.048 26.610 676 H HIS 86 HN HIS 86 0.538 -17.297 33.292 677 HA HIS 86 HA HIS 86 -1.042 -16.680 35.655 678 HB2 HIS 86 HB2 HIS 86 -1.211 -19.036 36.365 679 HB3 HIS 86 HB1 HIS 86 -2.109 -18.746 34.876 680 HD2 HIS 86 HD2 HIS 86 0.882 -20.882 36.123 681 HE1 HIS 86 HE1 HIS 86 0.622 -21.426 31.945 682 HE2 HIS 86 HE2 HIS 86 1.737 -22.252 34.071 683 H HIS 87 HN HIS 87 0.130 -16.929 37.586 684 HA HIS 87 HA HIS 87 3.047 -17.043 37.202 685 HB2 HIS 87 HB2 HIS 87 3.194 -15.968 39.364 686 HB3 HIS 87 HB1 HIS 87 2.025 -15.094 38.376 687 HD2 HIS 87 HD2 HIS 87 2.152 -16.996 41.734 688 HE1 HIS 87 HE1 HIS 87 -1.919 -16.226 40.925 689 HE2 HIS 87 HE2 HIS 87 -0.278 -17.032 42.688 690 H HIS 88 HN HIS 88 4.223 -18.721 37.857 691 HA HIS 88 HA HIS 88 3.351 -20.416 40.061 692 HB2 HIS 88 HB2 HIS 88 3.506 -22.490 38.724 693 HB3 HIS 88 HB1 HIS 88 2.195 -21.447 38.171 694 HD2 HIS 88 HD2 HIS 88 5.349 -23.113 36.743 695 HE1 HIS 88 HE1 HIS 88 4.143 -20.225 33.908 696 HE2 HIS 88 HE2 HIS 88 5.685 -22.201 34.320 697 H HIS 89 HN HIS 89 5.022 -21.723 40.893 698 HA HIS 89 HA HIS 89 7.216 -21.924 41.605 699 HB2 HIS 89 HB2 HIS 89 7.421 -22.393 38.624 700 HB3 HIS 89 HB1 HIS 89 8.719 -22.746 39.765 701 HD2 HIS 89 HD2 HIS 89 8.134 -24.901 41.595 702 HE1 HIS 89 HE1 HIS 89 4.715 -26.231 39.504 703 HE2 HIS 89 HE2 HIS 89 6.367 -26.808 41.345 704 H HIS 90 HN HIS 90 7.192 -19.558 42.116 705 HA HIS 90 HA HIS 90 8.088 -17.434 42.014 706 HB2 HIS 90 HB2 HIS 90 10.051 -18.905 42.585 707 HB3 HIS 90 HB1 HIS 90 10.473 -18.901 40.873 708 HD2 HIS 90 HD2 HIS 90 10.367 -16.359 43.891 709 HE1 HIS 90 HE1 HIS 90 12.425 -14.542 40.684 710 HE2 HIS 90 HE2 HIS 90 11.766 -14.293 43.124 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -10.826 -1.450 26.710 2 H2 MET 1 HT2 MET 1 -9.853 -2.842 26.760 3 H3 MET 1 HT3 MET 1 -11.244 -2.740 27.730 4 HA MET 1 HA MET 1 -12.613 -2.632 25.700 5 HB2 MET 1 HB2 MET 1 -9.912 -3.167 24.440 6 HB3 MET 1 HB1 MET 1 -11.438 -3.395 23.598 7 HG2 MET 1 HG2 MET 1 -12.007 -1.019 24.012 8 HG3 MET 1 HG1 MET 1 -10.446 -0.800 24.801 9 HE1 MET 1 HE1 MET 1 -9.290 1.045 23.080 10 HE2 MET 1 HE2 MET 1 -11.050 1.099 23.000 11 HE3 MET 1 HE3 MET 1 -10.105 1.140 21.514 12 H GLY 2 HN GLY 2 -12.288 -4.889 24.048 13 HA2 GLY 2 HA2 GLY 2 -12.413 -7.045 26.062 14 HA3 GLY 2 HA1 GLY 2 -13.186 -7.065 24.488 15 H GLN 3 HN GLN 3 -12.078 -7.761 22.700 16 HA GLN 3 HA GLN 3 -9.232 -8.393 23.000 17 HB2 GLN 3 HB2 GLN 3 -11.235 -10.359 23.247 18 HB3 GLN 3 HB1 GLN 3 -10.633 -10.564 21.614 19 HG2 GLN 3 HG2 GLN 3 -9.189 -11.914 22.866 20 HG3 GLN 3 HG1 GLN 3 -8.273 -10.425 22.700 21 HE21 GLN 3 HE21 GLN 3 -7.485 -9.562 24.624 22 HE22 GLN 3 HE22 GLN 3 -8.104 -9.917 26.164 23 H ILE 4 HN ILE 4 -10.957 -6.492 21.460 24 HA ILE 4 HA ILE 4 -9.814 -7.043 18.830 25 HB ILE 4 HB ILE 4 -12.045 -5.989 17.958 26 HG12 ILE 4 HG12 ILE 4 -13.963 -6.673 19.399 27 HG13 ILE 4 HG11 ILE 4 -12.836 -7.148 20.648 28 HG21 ILE 4 HG21 ILE 4 -11.288 -8.246 17.412 29 HG22 ILE 4 HG22 ILE 4 -13.017 -8.230 17.746 30 HG23 ILE 4 HG23 ILE 4 -11.894 -8.833 18.961 31 HD11 ILE 4 HD11 ILE 4 -12.235 -4.982 21.162 32 HD12 ILE 4 HD12 ILE 4 -13.908 -4.768 20.685 33 HD13 ILE 4 HD13 ILE 4 -12.631 -4.365 19.552 34 H PHE 5 HN PHE 5 -9.694 -5.166 17.431 35 HA PHE 5 HA PHE 5 -9.215 -2.709 19.021 36 HB2 PHE 5 HB2 PHE 5 -7.275 -3.751 17.851 37 HB3 PHE 5 HB1 PHE 5 -8.080 -3.420 16.324 38 HD1 PHE 5 HD2 PHE 5 -6.699 -1.830 19.398 39 HD2 PHE 5 HD1 PHE 5 -8.110 -1.220 15.392 40 HE1 PHE 5 HE2 PHE 5 -5.865 0.505 19.459 41 HE2 PHE 5 HE1 PHE 5 -7.277 1.115 15.450 42 HZ PHE 5 HZ PHE 5 -6.154 1.977 17.485 43 H THR 6 HN THR 6 -9.408 -0.672 17.646 44 HA THR 6 HA THR 6 -12.083 -0.294 16.925 45 HB THR 6 HB THR 6 -9.827 1.374 15.811 46 HG1 THR 6 HG1 THR 6 -9.856 2.436 17.831 47 HG21 THR 6 HG21 THR 6 -12.542 2.122 16.924 48 HG22 THR 6 HG22 THR 6 -12.222 1.850 15.212 49 HG23 THR 6 HG23 THR 6 -11.425 3.175 16.058 50 H VAL 7 HN VAL 7 -13.123 -0.095 14.940 51 HA VAL 7 HA VAL 7 -12.411 -1.943 12.950 52 HB VAL 7 HB VAL 7 -14.284 -1.081 11.696 53 HG11 VAL 7 HG11 VAL 7 -16.026 -1.213 13.363 54 HG12 VAL 7 HG12 VAL 7 -14.917 -0.712 14.635 55 HG13 VAL 7 HG13 VAL 7 -14.725 -2.288 13.871 56 HG21 VAL 7 HG21 VAL 7 -13.920 1.349 13.464 57 HG22 VAL 7 HG22 VAL 7 -15.401 1.057 12.555 58 HG23 VAL 7 HG23 VAL 7 -13.872 1.279 11.701 59 H GLN 8 HN GLN 8 -11.525 1.363 13.431 60 HA GLN 8 HA GLN 8 -10.963 2.250 10.874 61 HB2 GLN 8 HB2 GLN 8 -10.735 3.600 12.962 62 HB3 GLN 8 HB1 GLN 8 -9.245 2.728 13.320 63 HG2 GLN 8 HG2 GLN 8 -8.260 3.510 11.206 64 HG3 GLN 8 HG1 GLN 8 -9.754 4.361 10.817 65 HE21 GLN 8 HE21 GLN 8 -9.601 6.551 11.291 66 HE22 GLN 8 HE22 GLN 8 -8.705 7.215 12.571 67 H GLU 9 HN GLU 9 -8.929 0.259 13.001 68 HA GLU 9 HA GLU 9 -6.744 0.118 11.182 69 HB2 GLU 9 HB2 GLU 9 -6.725 -0.350 13.706 70 HB3 GLU 9 HB1 GLU 9 -7.384 -1.935 13.300 71 HG2 GLU 9 HG2 GLU 9 -4.848 -0.842 12.055 72 HG3 GLU 9 HG1 GLU 9 -4.854 -1.837 13.506 73 H LEU 10 HN LEU 10 -9.404 -2.104 11.956 74 HA LEU 10 HA LEU 10 -8.616 -4.057 10.036 75 HB2 LEU 10 HB2 LEU 10 -10.137 -4.333 12.131 76 HB3 LEU 10 HB1 LEU 10 -11.425 -3.745 11.080 77 HG LEU 10 HG LEU 10 -10.466 -5.594 9.406 78 HD11 LEU 10 HD11 LEU 10 -9.480 -7.488 10.485 79 HD12 LEU 10 HD12 LEU 10 -9.808 -6.833 12.089 80 HD13 LEU 10 HD13 LEU 10 -8.579 -6.093 11.073 81 HD21 LEU 10 HD21 LEU 10 -12.010 -7.272 10.566 82 HD22 LEU 10 HD22 LEU 10 -12.723 -5.711 10.160 83 HD23 LEU 10 HD23 LEU 10 -12.230 -6.050 11.819 84 H LYS 11 HN LYS 11 -10.354 -1.109 9.866 85 HA LYS 11 HA LYS 11 -12.055 -1.548 7.699 86 HB2 LYS 11 HB2 LYS 11 -12.057 0.500 9.080 87 HB3 LYS 11 HB1 LYS 11 -10.529 0.980 8.353 88 HG2 LYS 11 HG2 LYS 11 -11.522 1.155 6.181 89 HG3 LYS 11 HG1 LYS 11 -13.017 0.399 6.732 90 HD2 LYS 11 HD2 LYS 11 -12.071 2.913 8.106 91 HD3 LYS 11 HD1 LYS 11 -12.844 3.047 6.526 92 HE2 LYS 11 HE2 LYS 11 -14.800 1.805 7.371 93 HE3 LYS 11 HE1 LYS 11 -14.035 1.663 8.950 94 HZ1 LYS 11 HZ1 LYS 11 -13.931 4.120 9.003 95 HZ2 LYS 11 HZ2 LYS 11 -15.511 3.493 9.014 96 HZ3 LYS 11 HZ3 LYS 11 -14.865 4.154 7.587 97 H GLU 12 HN GLU 12 -8.660 -0.502 7.739 98 HA GLU 12 HA GLU 12 -8.401 -0.252 4.927 99 HB2 GLU 12 HB2 GLU 12 -6.839 0.778 6.564 100 HB3 GLU 12 HB1 GLU 12 -6.244 -0.831 6.972 101 HG2 GLU 12 HG2 GLU 12 -5.510 -1.180 4.661 102 HG3 GLU 12 HG1 GLU 12 -6.172 0.386 4.195 103 H ARG 13 HN ARG 13 -7.614 -2.886 7.183 104 HA ARG 13 HA ARG 13 -6.674 -4.629 5.100 105 HB2 ARG 13 HB2 ARG 13 -5.875 -4.775 7.450 106 HB3 ARG 13 HB1 ARG 13 -7.487 -5.302 7.936 107 HG2 ARG 13 HG2 ARG 13 -7.324 -7.266 6.491 108 HG3 ARG 13 HG1 ARG 13 -5.750 -6.727 5.901 109 HD2 ARG 13 HD2 ARG 13 -6.364 -7.341 8.804 110 HD3 ARG 13 HD1 ARG 13 -5.591 -8.469 7.695 111 HE ARG 13 HE ARG 13 -4.345 -6.225 8.986 112 HH11 ARG 13 HH21 ARG 13 -4.404 -8.202 6.146 113 HH12 ARG 13 HH22 ARG 13 -2.742 -7.918 5.746 114 HH21 ARG 13 HH11 ARG 13 -2.165 -5.848 8.468 115 HH22 ARG 13 HH12 ARG 13 -1.475 -6.586 7.061 116 H ALA 14 HN ALA 14 -9.739 -3.893 6.504 117 HA ALA 14 HA ALA 14 -11.053 -6.332 5.782 118 HB1 ALA 14 HB1 ALA 14 -13.143 -4.938 6.194 119 HB2 ALA 14 HB2 ALA 14 -12.061 -3.610 6.603 120 HB3 ALA 14 HB3 ALA 14 -12.035 -5.093 7.559 121 H LYS 15 HN LYS 15 -9.939 -3.709 4.005 122 HA LYS 15 HA LYS 15 -11.969 -3.390 2.068 123 HB2 LYS 15 HB2 LYS 15 -10.040 -1.847 2.344 124 HB3 LYS 15 HB1 LYS 15 -8.982 -3.094 1.687 125 HG2 LYS 15 HG2 LYS 15 -10.236 -3.096 -0.414 126 HG3 LYS 15 HG1 LYS 15 -11.362 -1.905 0.239 127 HD2 LYS 15 HD2 LYS 15 -9.508 -0.296 0.502 128 HD3 LYS 15 HD1 LYS 15 -8.385 -1.482 -0.164 129 HE2 LYS 15 HE2 LYS 15 -9.667 -1.519 -2.265 130 HE3 LYS 15 HE1 LYS 15 -10.793 -0.336 -1.602 131 HZ1 LYS 15 HZ1 LYS 15 -7.971 0.355 -1.489 132 HZ2 LYS 15 HZ2 LYS 15 -9.318 1.336 -1.824 133 HZ3 LYS 15 HZ3 LYS 15 -8.668 0.335 -3.035 134 H VAL 16 HN VAL 16 -9.120 -5.523 2.160 135 HA VAL 16 HA VAL 16 -8.465 -7.175 0.642 136 HB VAL 16 HB VAL 16 -10.052 -9.056 0.716 137 HG11 VAL 16 HG11 VAL 16 -10.103 -7.631 3.375 138 HG12 VAL 16 HG12 VAL 16 -8.624 -8.324 2.709 139 HG13 VAL 16 HG13 VAL 16 -10.001 -9.366 3.070 140 HG21 VAL 16 HG21 VAL 16 -12.260 -8.807 1.649 141 HG22 VAL 16 HG22 VAL 16 -12.113 -7.581 0.403 142 HG23 VAL 16 HG23 VAL 16 -11.946 -7.144 2.095 143 H PHE 17 HN PHE 17 -10.476 -8.722 -0.919 144 HA PHE 17 HA PHE 17 -10.659 -6.887 -3.224 145 HB2 PHE 17 HB2 PHE 17 -10.715 -9.905 -3.039 146 HB3 PHE 17 HB1 PHE 17 -10.948 -8.990 -4.529 147 HD1 PHE 17 HD2 PHE 17 -9.113 -7.407 -5.301 148 HD2 PHE 17 HD1 PHE 17 -8.534 -10.299 -2.178 149 HE1 PHE 17 HE2 PHE 17 -6.656 -7.211 -5.575 150 HE2 PHE 17 HE1 PHE 17 -6.078 -10.103 -2.451 151 HZ PHE 17 HZ PHE 17 -5.138 -8.559 -4.150 152 H ALA 18 HN ALA 18 -12.569 -6.641 -4.363 153 HA ALA 18 HA ALA 18 -14.842 -6.271 -4.496 154 HB1 ALA 18 HB1 ALA 18 -14.973 -9.146 -3.564 155 HB2 ALA 18 HB2 ALA 18 -14.608 -8.662 -5.220 156 HB3 ALA 18 HB3 ALA 18 -16.180 -8.280 -4.515 157 H LYS 19 HN LYS 19 -17.008 -7.176 -3.124 158 HA LYS 19 HA LYS 19 -16.632 -5.863 -0.574 159 HB2 LYS 19 HB2 LYS 19 -19.305 -6.884 -1.477 160 HB3 LYS 19 HB1 LYS 19 -18.923 -5.423 -0.591 161 HG2 LYS 19 HG2 LYS 19 -18.292 -5.918 -3.508 162 HG3 LYS 19 HG1 LYS 19 -19.571 -4.883 -2.887 163 HD2 LYS 19 HD2 LYS 19 -16.597 -4.477 -2.403 164 HD3 LYS 19 HD1 LYS 19 -17.599 -3.539 -3.494 165 HE2 LYS 19 HE2 LYS 19 -19.089 -3.181 -1.317 166 HE3 LYS 19 HE1 LYS 19 -17.567 -3.536 -0.497 167 HZ1 LYS 19 HZ1 LYS 19 -16.530 -1.731 -1.476 168 HZ2 LYS 19 HZ2 LYS 19 -18.075 -1.136 -1.092 169 HZ3 LYS 19 HZ3 LYS 19 -17.703 -1.574 -2.690 170 HA PRO 20 HA PRO 20 -16.726 -9.396 2.041 171 HB2 PRO 20 HB2 PRO 20 -19.081 -8.244 3.490 172 HB3 PRO 20 HB1 PRO 20 -17.487 -8.706 4.120 173 HG2 PRO 20 HG2 PRO 20 -18.165 -6.147 3.804 174 HG3 PRO 20 HG1 PRO 20 -16.513 -6.712 3.480 175 HD2 PRO 20 HD2 PRO 20 -18.681 -6.019 1.549 176 HD3 PRO 20 HD1 PRO 20 -16.932 -5.739 1.454 177 H ILE 21 HN ILE 21 -17.701 -11.397 2.191 178 HA ILE 21 HA ILE 21 -20.096 -11.789 0.566 179 HB ILE 21 HB ILE 21 -18.047 -13.223 0.287 180 HG12 ILE 21 HG12 ILE 21 -19.352 -15.381 0.267 181 HG13 ILE 21 HG11 ILE 21 -20.653 -14.547 1.121 182 HG21 ILE 21 HG21 ILE 21 -17.456 -14.821 1.941 183 HG22 ILE 21 HG22 ILE 21 -18.913 -14.494 2.880 184 HG23 ILE 21 HG23 ILE 21 -17.627 -13.290 2.799 185 HD11 ILE 21 HD11 ILE 21 -19.628 -13.271 -1.396 186 HD12 ILE 21 HD12 ILE 21 -21.257 -13.302 -0.725 187 HD13 ILE 21 HD13 ILE 21 -20.619 -14.719 -1.547 188 H GLY 22 HN GLY 22 -22.052 -12.336 1.342 189 HA2 GLY 22 HA2 GLY 22 -23.694 -13.012 2.830 190 HA3 GLY 22 HA1 GLY 22 -22.426 -13.508 3.945 191 H ALA 23 HN ALA 23 -22.871 -12.522 5.829 192 HA ALA 23 HA ALA 23 -22.613 -9.678 6.047 193 HB1 ALA 23 HB1 ALA 23 -24.998 -9.949 5.262 194 HB2 ALA 23 HB2 ALA 23 -24.816 -9.121 6.810 195 HB3 ALA 23 HB3 ALA 23 -25.321 -10.811 6.767 196 H SER 24 HN SER 24 -21.955 -12.542 7.153 197 HA SER 24 HA SER 24 -22.604 -12.296 9.961 198 HB2 SER 24 HB2 SER 24 -20.973 -14.231 8.332 199 HB3 SER 24 HB1 SER 24 -20.939 -14.274 10.093 200 HG SER 24 HG SER 24 -22.639 -15.498 9.727 201 H TYR 25 HN TYR 25 -20.180 -11.099 7.889 202 HA TYR 25 HA TYR 25 -18.047 -10.950 9.806 203 HB2 TYR 25 HB2 TYR 25 -18.502 -9.516 7.182 204 HB3 TYR 25 HB1 TYR 25 -17.023 -9.399 8.136 205 HD1 TYR 25 HD1 TYR 25 -19.164 -11.660 6.140 206 HD2 TYR 25 HD2 TYR 25 -15.461 -11.241 8.276 207 HE1 TYR 25 HE1 TYR 25 -18.342 -13.771 5.131 208 HE2 TYR 25 HE2 TYR 25 -14.640 -13.353 7.267 209 HH TYR 25 HH TYR 25 -15.662 -14.675 4.689 210 H GLN 26 HN GLN 26 -20.771 -8.958 8.932 211 HA GLN 26 HA GLN 26 -19.885 -6.510 10.041 212 HB2 GLN 26 HB2 GLN 26 -21.836 -6.742 8.508 213 HB3 GLN 26 HB1 GLN 26 -22.727 -7.528 9.812 214 HG2 GLN 26 HG2 GLN 26 -22.478 -5.523 11.214 215 HG3 GLN 26 HG1 GLN 26 -21.552 -4.736 9.937 216 HE21 GLN 26 HE21 GLN 26 -22.983 -3.108 9.234 217 HE22 GLN 26 HE22 GLN 26 -24.567 -3.405 8.700 218 H GLY 27 HN GLY 27 -21.582 -9.291 11.415 219 HA2 GLY 27 HA2 GLY 27 -22.261 -8.193 13.909 220 HA3 GLY 27 HA1 GLY 27 -21.995 -9.906 13.593 221 H ILE 28 HN ILE 28 -19.295 -9.792 12.804 222 HA ILE 28 HA ILE 28 -18.008 -9.784 15.349 223 HB ILE 28 HB ILE 28 -16.806 -9.939 12.577 224 HG12 ILE 28 HG12 ILE 28 -17.483 -12.161 14.527 225 HG13 ILE 28 HG11 ILE 28 -18.522 -11.698 13.179 226 HG21 ILE 28 HG21 ILE 28 -15.718 -10.598 15.331 227 HG22 ILE 28 HG22 ILE 28 -15.121 -9.356 14.231 228 HG23 ILE 28 HG23 ILE 28 -14.934 -11.059 13.820 229 HD11 ILE 28 HD11 ILE 28 -17.003 -13.611 12.630 230 HD12 ILE 28 HD12 ILE 28 -15.624 -12.543 12.890 231 HD13 ILE 28 HD13 ILE 28 -16.760 -12.214 11.581 232 H LEU 29 HN LEU 29 -18.453 -7.423 12.860 233 HA LEU 29 HA LEU 29 -16.300 -5.717 13.842 234 HB2 LEU 29 HB2 LEU 29 -16.967 -6.000 11.372 235 HB3 LEU 29 HB1 LEU 29 -18.360 -4.996 11.770 236 HG LEU 29 HG LEU 29 -16.489 -3.425 12.862 237 HD11 LEU 29 HD11 LEU 29 -14.713 -5.171 12.270 238 HD12 LEU 29 HD12 LEU 29 -14.368 -3.519 11.769 239 HD13 LEU 29 HD13 LEU 29 -14.952 -4.694 10.592 240 HD21 LEU 29 HD21 LEU 29 -17.940 -2.640 11.117 241 HD22 LEU 29 HD22 LEU 29 -17.140 -3.656 9.918 242 HD23 LEU 29 HD23 LEU 29 -16.288 -2.279 10.616 243 H ASP 30 HN ASP 30 -19.693 -6.159 14.230 244 HA ASP 30 HA ASP 30 -20.429 -3.549 15.031 245 HB2 ASP 30 HB2 ASP 30 -22.046 -5.341 14.446 246 HB3 ASP 30 HB1 ASP 30 -21.616 -6.183 15.934 247 H GLN 31 HN GLN 31 -19.071 -6.292 16.786 248 HA GLN 31 HA GLN 31 -19.433 -5.295 19.392 249 HB2 GLN 31 HB2 GLN 31 -17.470 -7.249 18.202 250 HB3 GLN 31 HB1 GLN 31 -17.457 -6.851 19.922 251 HG2 GLN 31 HG2 GLN 31 -19.781 -7.555 20.133 252 HG3 GLN 31 HG1 GLN 31 -19.867 -7.890 18.404 253 HE21 GLN 31 HE21 GLN 31 -19.349 -9.387 21.376 254 HE22 GLN 31 HE22 GLN 31 -18.506 -10.757 20.833 255 H LEU 32 HN LEU 32 -16.966 -4.704 16.985 256 HA LEU 32 HA LEU 32 -15.026 -3.521 18.643 257 HB2 LEU 32 HB2 LEU 32 -15.694 -3.359 15.725 258 HB3 LEU 32 HB1 LEU 32 -14.528 -2.217 16.378 259 HG LEU 32 HG LEU 32 -13.217 -4.104 17.281 260 HD11 LEU 32 HD11 LEU 32 -13.791 -6.406 16.499 261 HD12 LEU 32 HD12 LEU 32 -15.301 -5.768 15.875 262 HD13 LEU 32 HD13 LEU 32 -14.990 -5.732 17.594 263 HD21 LEU 32 HD21 LEU 32 -12.854 -3.167 14.962 264 HD22 LEU 32 HD22 LEU 32 -13.817 -4.509 14.344 265 HD23 LEU 32 HD23 LEU 32 -12.292 -4.826 15.176 266 H ASP 33 HN ASP 33 -17.921 -2.224 17.137 267 HA ASP 33 HA ASP 33 -17.384 0.506 17.782 268 HB2 ASP 33 HB2 ASP 33 -18.976 -0.117 16.024 269 HB3 ASP 33 HB1 ASP 33 -20.014 -0.884 17.223 270 H LEU 34 HN LEU 34 -19.402 -2.005 19.297 271 HA LEU 34 HA LEU 34 -20.299 -0.392 21.431 272 HB2 LEU 34 HB2 LEU 34 -20.173 -3.352 20.911 273 HB3 LEU 34 HB1 LEU 34 -20.627 -2.789 22.515 274 HG LEU 34 HG LEU 34 -22.575 -3.180 20.938 275 HD11 LEU 34 HD11 LEU 34 -22.593 -0.246 21.571 276 HD12 LEU 34 HD12 LEU 34 -22.342 -1.350 22.918 277 HD13 LEU 34 HD13 LEU 34 -23.787 -1.484 21.930 278 HD21 LEU 34 HD21 LEU 34 -21.709 -0.606 19.604 279 HD22 LEU 34 HD22 LEU 34 -22.926 -1.759 19.072 280 HD23 LEU 34 HD23 LEU 34 -21.225 -2.170 18.968 281 H VAL 35 HN VAL 35 -17.614 -2.668 21.207 282 HA VAL 35 HA VAL 35 -16.778 -2.741 23.804 283 HB VAL 35 HB VAL 35 -15.718 -3.662 21.547 284 HG11 VAL 35 HG11 VAL 35 -13.809 -2.490 20.749 285 HG12 VAL 35 HG12 VAL 35 -13.719 -1.495 22.197 286 HG13 VAL 35 HG13 VAL 35 -14.988 -1.218 21.023 287 HG21 VAL 35 HG21 VAL 35 -14.288 -3.050 24.138 288 HG22 VAL 35 HG22 VAL 35 -13.543 -4.032 22.875 289 HG23 VAL 35 HG23 VAL 35 -15.036 -4.569 23.649 290 H HIS 36 HN HIS 36 -16.738 -0.010 21.681 291 HA HIS 36 HA HIS 36 -14.841 1.540 23.188 292 HB2 HIS 36 HB2 HIS 36 -15.328 1.890 20.748 293 HB3 HIS 36 HB1 HIS 36 -16.908 2.523 21.210 294 HD2 HIS 36 HD2 HIS 36 -16.796 5.259 21.475 295 HE1 HIS 36 HE1 HIS 36 -12.753 5.602 22.644 296 HE2 HIS 36 HE2 HIS 36 -14.876 6.901 22.136 297 H GLN 37 HN GLN 37 -18.340 1.158 23.097 298 HA GLN 37 HA GLN 37 -18.801 3.337 24.966 299 HB2 GLN 37 HB2 GLN 37 -20.460 2.786 23.214 300 HB3 GLN 37 HB1 GLN 37 -20.692 1.200 23.950 301 HG2 GLN 37 HG2 GLN 37 -21.503 2.208 26.002 302 HG3 GLN 37 HG1 GLN 37 -21.122 3.823 25.405 303 HE21 GLN 37 HE21 GLN 37 -23.786 3.094 26.199 304 HE22 GLN 37 HE22 GLN 37 -24.766 3.101 24.812 305 H ALA 38 HN ALA 38 -18.059 -0.032 25.098 306 HA ALA 38 HA ALA 38 -19.294 -0.642 27.594 307 HB1 ALA 38 HB1 ALA 38 -17.564 -2.531 27.577 308 HB2 ALA 38 HB2 ALA 38 -17.033 -1.887 26.026 309 HB3 ALA 38 HB3 ALA 38 -18.681 -2.482 26.216 310 H LYS 39 HN LYS 39 -18.515 -0.521 29.653 311 HA LYS 39 HA LYS 39 -15.790 0.453 30.121 312 HB2 LYS 39 HB2 LYS 39 -18.319 1.824 31.039 313 HB3 LYS 39 HB1 LYS 39 -16.753 2.110 31.788 314 HG2 LYS 39 HG2 LYS 39 -17.205 2.439 28.817 315 HG3 LYS 39 HG1 LYS 39 -17.432 3.758 29.948 316 HD2 LYS 39 HD2 LYS 39 -15.058 3.307 30.763 317 HD3 LYS 39 HD1 LYS 39 -14.873 2.239 29.379 318 HE2 LYS 39 HE2 LYS 39 -15.332 4.030 27.837 319 HE3 LYS 39 HE1 LYS 39 -15.684 5.131 29.171 320 HZ1 LYS 39 HZ1 LYS 39 -13.115 3.787 29.285 321 HZ2 LYS 39 HZ2 LYS 39 -13.520 5.396 29.649 322 HZ3 LYS 39 HZ3 LYS 39 -13.290 4.920 28.035 323 H GLY 40 HN GLY 40 -14.914 -0.078 32.083 324 HA2 GLY 40 HA2 GLY 40 -14.686 -1.211 34.082 325 HA3 GLY 40 HA1 GLY 40 -16.442 -1.232 34.207 326 H ARG 41 HN ARG 41 -17.109 -3.265 34.458 327 HA ARG 41 HA ARG 41 -15.639 -5.545 33.606 328 HB2 ARG 41 HB2 ARG 41 -17.609 -6.819 34.325 329 HB3 ARG 41 HB1 ARG 41 -17.195 -5.593 35.523 330 HG2 ARG 41 HG2 ARG 41 -18.915 -4.090 34.574 331 HG3 ARG 41 HG1 ARG 41 -19.345 -5.325 33.393 332 HD2 ARG 41 HD2 ARG 41 -19.942 -6.868 35.207 333 HD3 ARG 41 HD1 ARG 41 -19.523 -5.638 36.392 334 HE ARG 41 HE ARG 41 -21.500 -4.496 35.866 335 HH11 ARG 41 HH21 ARG 41 -20.868 -7.104 33.681 336 HH12 ARG 41 HH22 ARG 41 -22.439 -7.059 32.955 337 HH21 ARG 41 HH11 ARG 41 -23.563 -4.431 34.918 338 HH22 ARG 41 HH12 ARG 41 -23.965 -5.546 33.654 339 H ASP 42 HN ASP 42 -17.883 -3.468 32.035 340 HA ASP 42 HA ASP 42 -19.000 -5.249 30.152 341 HB2 ASP 42 HB2 ASP 42 -19.798 -2.923 30.649 342 HB3 ASP 42 HB1 ASP 42 -18.417 -2.323 29.737 343 H GLN 43 HN GLN 43 -16.024 -3.340 30.145 344 HA GLN 43 HA GLN 43 -15.293 -3.890 27.456 345 HB2 GLN 43 HB2 GLN 43 -13.739 -3.019 29.884 346 HB3 GLN 43 HB1 GLN 43 -12.953 -3.299 28.329 347 HG2 GLN 43 HG2 GLN 43 -14.490 -1.676 27.271 348 HG3 GLN 43 HG1 GLN 43 -15.248 -1.392 28.834 349 HE21 GLN 43 HE21 GLN 43 -14.273 0.893 27.878 350 HE22 GLN 43 HE22 GLN 43 -12.763 1.298 28.541 351 H ILE 44 HN ILE 44 -14.591 -5.477 30.523 352 HA ILE 44 HA ILE 44 -12.749 -7.385 29.539 353 HB ILE 44 HB ILE 44 -14.570 -7.435 31.948 354 HG12 ILE 44 HG12 ILE 44 -11.572 -7.062 31.738 355 HG13 ILE 44 HG11 ILE 44 -12.718 -5.715 31.801 356 HG21 ILE 44 HG21 ILE 44 -14.114 -9.726 31.479 357 HG22 ILE 44 HG22 ILE 44 -12.928 -9.261 32.696 358 HG23 ILE 44 HG23 ILE 44 -12.454 -9.372 31.003 359 HD11 ILE 44 HD11 ILE 44 -12.288 -7.848 33.911 360 HD12 ILE 44 HD12 ILE 44 -13.611 -6.682 33.953 361 HD13 ILE 44 HD13 ILE 44 -11.941 -6.125 34.054 362 H ALA 45 HN ALA 45 -16.272 -7.441 29.944 363 HA ALA 45 HA ALA 45 -16.821 -10.088 29.368 364 HB1 ALA 45 HB1 ALA 45 -18.983 -9.228 28.416 365 HB2 ALA 45 HB2 ALA 45 -18.338 -7.594 28.566 366 HB3 ALA 45 HB3 ALA 45 -18.593 -8.578 30.008 367 H ALA 46 HN ALA 46 -16.337 -7.408 27.074 368 HA ALA 46 HA ALA 46 -16.738 -8.894 24.709 369 HB1 ALA 46 HB1 ALA 46 -15.233 -6.356 25.283 370 HB2 ALA 46 HB2 ALA 46 -16.814 -6.530 24.529 371 HB3 ALA 46 HB3 ALA 46 -15.365 -7.040 23.663 372 H SER 47 HN SER 47 -14.115 -8.730 26.932 373 HA SER 47 HA SER 47 -12.026 -9.519 25.223 374 HB2 SER 47 HB2 SER 47 -11.941 -8.618 27.665 375 HB3 SER 47 HB1 SER 47 -12.095 -10.312 28.103 376 HG SER 47 HG SER 47 -9.901 -9.234 27.665 377 H PHE 48 HN PHE 48 -13.941 -11.445 27.487 378 HA PHE 48 HA PHE 48 -12.868 -13.932 26.705 379 HB2 PHE 48 HB2 PHE 48 -14.101 -13.504 28.836 380 HB3 PHE 48 HB1 PHE 48 -15.595 -13.416 27.905 381 HD1 PHE 48 HD1 PHE 48 -12.688 -15.643 28.660 382 HD2 PHE 48 HD2 PHE 48 -16.751 -15.385 27.287 383 HE1 PHE 48 HE1 PHE 48 -12.860 -18.117 28.702 384 HE2 PHE 48 HE2 PHE 48 -16.922 -17.858 27.329 385 HZ PHE 48 HZ PHE 48 -14.977 -19.224 28.036 386 H GLU 49 HN GLU 49 -15.563 -12.032 25.511 387 HA GLU 49 HA GLU 49 -16.812 -14.027 23.977 388 HB2 GLU 49 HB2 GLU 49 -16.718 -11.027 23.743 389 HB3 GLU 49 HB1 GLU 49 -17.651 -12.017 22.622 390 HG2 GLU 49 HG2 GLU 49 -18.936 -12.961 24.461 391 HG3 GLU 49 HG1 GLU 49 -17.961 -12.078 25.638 392 H LEU 50 HN LEU 50 -14.763 -11.393 22.757 393 HA LEU 50 HA LEU 50 -14.421 -12.536 20.231 394 HB2 LEU 50 HB2 LEU 50 -13.002 -10.378 21.728 395 HB3 LEU 50 HB1 LEU 50 -12.395 -10.911 20.166 396 HG LEU 50 HG LEU 50 -14.001 -8.964 20.041 397 HD11 LEU 50 HD11 LEU 50 -14.815 -9.654 18.011 398 HD12 LEU 50 HD12 LEU 50 -15.363 -11.205 18.618 399 HD13 LEU 50 HD13 LEU 50 -13.658 -10.952 18.261 400 HD21 LEU 50 HD21 LEU 50 -16.300 -9.252 20.544 401 HD22 LEU 50 HD22 LEU 50 -15.452 -9.942 21.918 402 HD23 LEU 50 HD23 LEU 50 -16.128 -10.999 20.683 403 H ASN 51 HN ASN 51 -12.681 -12.914 23.190 404 HA ASN 51 HA ASN 51 -10.264 -13.897 22.314 405 HB2 ASN 51 HB2 ASN 51 -10.601 -13.561 24.660 406 HB3 ASN 51 HB1 ASN 51 -11.943 -14.704 24.696 407 HD21 ASN 51 HD21 ASN 51 -8.495 -14.388 24.959 408 HD22 ASN 51 HD22 ASN 51 -8.147 -16.045 25.085 409 H LYS 52 HN LYS 52 -13.042 -15.932 23.206 410 HA LYS 52 HA LYS 52 -11.914 -18.291 22.121 411 HB2 LYS 52 HB2 LYS 52 -14.187 -19.245 22.415 412 HB3 LYS 52 HB1 LYS 52 -13.605 -18.410 23.856 413 HG2 LYS 52 HG2 LYS 52 -14.864 -16.388 23.177 414 HG3 LYS 52 HG1 LYS 52 -15.474 -17.261 21.777 415 HD2 LYS 52 HD2 LYS 52 -16.698 -18.792 23.115 416 HD3 LYS 52 HD1 LYS 52 -15.872 -18.276 24.586 417 HE2 LYS 52 HE2 LYS 52 -18.252 -17.362 24.190 418 HE3 LYS 52 HE1 LYS 52 -17.003 -16.205 24.631 419 HZ1 LYS 52 HZ1 LYS 52 -18.262 -15.372 22.776 420 HZ2 LYS 52 HZ2 LYS 52 -17.980 -16.793 21.888 421 HZ3 LYS 52 HZ3 LYS 52 -16.693 -15.744 22.251 422 H LYS 53 HN LYS 53 -14.118 -15.879 20.827 423 HA LYS 53 HA LYS 53 -14.906 -17.277 18.518 424 HB2 LYS 53 HB2 LYS 53 -14.683 -14.343 19.091 425 HB3 LYS 53 HB1 LYS 53 -15.375 -14.957 17.613 426 HG2 LYS 53 HG2 LYS 53 -17.053 -16.192 18.899 427 HG3 LYS 53 HG1 LYS 53 -16.351 -15.619 20.398 428 HD2 LYS 53 HD2 LYS 53 -16.786 -13.260 19.625 429 HD3 LYS 53 HD1 LYS 53 -17.661 -13.940 18.252 430 HE2 LYS 53 HE2 LYS 53 -18.320 -14.358 21.179 431 HE3 LYS 53 HE1 LYS 53 -19.234 -13.380 20.035 432 HZ1 LYS 53 HZ1 LYS 53 -18.753 -16.292 19.736 433 HZ2 LYS 53 HZ2 LYS 53 -19.737 -15.320 18.750 434 HZ3 LYS 53 HZ3 LYS 53 -20.176 -15.617 20.363 435 H ILE 54 HN ILE 54 -12.273 -14.934 19.020 436 HA ILE 54 HA ILE 54 -11.298 -15.023 16.363 437 HB ILE 54 HB ILE 54 -9.952 -14.287 18.969 438 HG12 ILE 54 HG12 ILE 54 -10.907 -12.525 16.696 439 HG13 ILE 54 HG11 ILE 54 -11.918 -12.915 18.087 440 HG21 ILE 54 HG21 ILE 54 -8.351 -13.069 17.308 441 HG22 ILE 54 HG22 ILE 54 -8.986 -14.197 16.103 442 HG23 ILE 54 HG23 ILE 54 -8.147 -14.815 17.523 443 HD11 ILE 54 HD11 ILE 54 -10.255 -11.951 19.604 444 HD12 ILE 54 HD12 ILE 54 -10.709 -10.761 18.384 445 HD13 ILE 54 HD13 ILE 54 -9.178 -11.624 18.246 446 H ASN 55 HN ASN 55 -10.376 -16.776 19.306 447 HA ASN 55 HA ASN 55 -8.229 -18.213 18.178 448 HB2 ASN 55 HB2 ASN 55 -10.036 -18.790 20.529 449 HB3 ASN 55 HB1 ASN 55 -8.665 -19.813 20.100 450 HD21 ASN 55 HD21 ASN 55 -6.891 -17.661 19.236 451 HD22 ASN 55 HD22 ASN 55 -6.463 -16.780 20.622 452 H ASP 56 HN ASP 56 -11.691 -18.853 18.374 453 HA ASP 56 HA ASP 56 -11.649 -21.525 17.476 454 HB2 ASP 56 HB2 ASP 56 -13.759 -19.370 17.318 455 HB3 ASP 56 HB1 ASP 56 -14.038 -21.024 16.777 456 H TYR 57 HN TYR 57 -11.870 -18.453 15.730 457 HA TYR 57 HA TYR 57 -12.295 -19.526 13.168 458 HB2 TYR 57 HB2 TYR 57 -11.153 -16.935 14.190 459 HB3 TYR 57 HB1 TYR 57 -11.135 -17.279 12.467 460 HD1 TYR 57 HD1 TYR 57 -13.483 -18.361 11.594 461 HD2 TYR 57 HD2 TYR 57 -13.000 -15.709 14.937 462 HE1 TYR 57 HE1 TYR 57 -15.858 -17.705 11.419 463 HE2 TYR 57 HE2 TYR 57 -15.376 -15.055 14.764 464 HH TYR 57 HH TYR 57 -17.634 -16.713 13.256 465 H ILE 58 HN ILE 58 -9.357 -18.958 15.002 466 HA ILE 58 HA ILE 58 -7.499 -19.363 12.922 467 HB ILE 58 HB ILE 58 -7.302 -19.893 15.887 468 HG12 ILE 58 HG12 ILE 58 -6.170 -17.631 14.204 469 HG13 ILE 58 HG11 ILE 58 -7.713 -17.518 15.063 470 HG21 ILE 58 HG21 ILE 58 -5.230 -19.966 13.686 471 HG22 ILE 58 HG22 ILE 58 -5.576 -21.203 14.893 472 HG23 ILE 58 HG23 ILE 58 -4.787 -19.701 15.372 473 HD11 ILE 58 HD11 ILE 58 -6.148 -18.357 17.118 474 HD12 ILE 58 HD12 ILE 58 -6.341 -16.661 16.706 475 HD13 ILE 58 HD13 ILE 58 -4.929 -17.547 16.139 476 H ALA 59 HN ALA 59 -9.027 -21.627 15.195 477 HA ALA 59 HA ALA 59 -7.624 -23.940 14.410 478 HB1 ALA 59 HB1 ALA 59 -9.327 -25.175 15.547 479 HB2 ALA 59 HB2 ALA 59 -10.495 -23.867 15.353 480 HB3 ALA 59 HB3 ALA 59 -9.121 -23.669 16.442 481 H GLU 60 HN GLU 60 -10.514 -22.381 13.122 482 HA GLU 60 HA GLU 60 -11.157 -24.492 11.291 483 HB2 GLU 60 HB2 GLU 60 -12.024 -21.600 11.445 484 HB3 GLU 60 HB1 GLU 60 -12.661 -22.755 10.274 485 HG2 GLU 60 HG2 GLU 60 -13.477 -24.189 12.065 486 HG3 GLU 60 HG1 GLU 60 -12.744 -23.143 13.279 487 H HIS 61 HN HIS 61 -8.634 -22.353 11.376 488 HA HIS 61 HA HIS 61 -8.205 -22.603 8.456 489 HB2 HIS 61 HB2 HIS 61 -7.973 -20.115 10.134 490 HB3 HIS 61 HB1 HIS 61 -7.114 -20.301 8.604 491 HD2 HIS 61 HD2 HIS 61 -8.653 -19.109 6.658 492 HE1 HIS 61 HE1 HIS 61 -12.454 -20.292 8.065 493 HE2 HIS 61 HE2 HIS 61 -11.226 -19.048 6.222 494 HA PRO 62 HA PRO 62 -4.552 -23.949 11.016 495 HB2 PRO 62 HB2 PRO 62 -4.335 -26.475 9.961 496 HB3 PRO 62 HB1 PRO 62 -5.359 -26.088 11.359 497 HG2 PRO 62 HG2 PRO 62 -6.123 -26.494 8.505 498 HG3 PRO 62 HG1 PRO 62 -6.981 -26.971 9.981 499 HD2 PRO 62 HD2 PRO 62 -7.644 -24.767 8.464 500 HD3 PRO 62 HD1 PRO 62 -8.013 -24.914 10.196 501 H THR 63 HN THR 63 -5.371 -23.623 7.722 502 HA THR 63 HA THR 63 -2.624 -24.081 6.768 503 HB THR 63 HB THR 63 -3.698 -23.549 4.525 504 HG1 THR 63 HG1 THR 63 -6.117 -24.037 4.882 505 HG21 THR 63 HG21 THR 63 -3.273 -25.850 5.345 506 HG22 THR 63 HG22 THR 63 -4.738 -25.761 4.366 507 HG23 THR 63 HG23 THR 63 -4.856 -25.847 6.124 508 H SER 64 HN SER 64 -4.192 -21.650 8.268 509 HA SER 64 HA SER 64 -3.586 -19.444 8.574 510 HB2 SER 64 HB2 SER 64 -1.747 -19.452 6.204 511 HB3 SER 64 HB1 SER 64 -1.560 -18.664 7.767 512 HG SER 64 HG SER 64 -1.012 -21.279 6.978 513 H GLY 65 HN GLY 65 -4.200 -17.425 7.694 514 HA2 GLY 65 HA2 GLY 65 -4.812 -16.788 5.081 515 HA3 GLY 65 HA1 GLY 65 -6.253 -17.582 5.708 516 H ARG 66 HN ARG 66 -7.544 -15.747 5.681 517 HA ARG 66 HA ARG 66 -6.846 -13.218 6.683 518 HB2 ARG 66 HB2 ARG 66 -9.561 -14.553 6.540 519 HB3 ARG 66 HB1 ARG 66 -9.296 -12.835 6.818 520 HG2 ARG 66 HG2 ARG 66 -8.111 -14.212 4.402 521 HG3 ARG 66 HG1 ARG 66 -9.773 -13.622 4.378 522 HD2 ARG 66 HD2 ARG 66 -8.893 -11.363 5.086 523 HD3 ARG 66 HD1 ARG 66 -7.268 -11.995 4.865 524 HE ARG 66 HE ARG 66 -9.058 -12.235 2.579 525 HH11 ARG 66 HH21 ARG 66 -6.562 -10.503 4.241 526 HH12 ARG 66 HH22 ARG 66 -6.014 -9.666 2.830 527 HH21 ARG 66 HH11 ARG 66 -8.345 -11.136 0.726 528 HH22 ARG 66 HH12 ARG 66 -7.024 -10.023 0.839 529 H ASN 67 HN ASN 67 -7.985 -16.110 8.274 530 HA ASN 67 HA ASN 67 -8.735 -14.976 10.751 531 HB2 ASN 67 HB2 ASN 67 -7.738 -17.713 9.962 532 HB3 ASN 67 HB1 ASN 67 -8.174 -17.317 11.625 533 HD21 ASN 67 HD21 ASN 67 -9.681 -19.273 10.284 534 HD22 ASN 67 HD22 ASN 67 -11.225 -18.657 9.945 535 H GLN 68 HN GLN 68 -5.618 -16.112 9.509 536 HA GLN 68 HA GLN 68 -4.104 -16.031 11.832 537 HB2 GLN 68 HB2 GLN 68 -3.334 -16.810 9.564 538 HB3 GLN 68 HB1 GLN 68 -3.150 -15.117 9.111 539 HG2 GLN 68 HG2 GLN 68 -0.995 -15.910 9.862 540 HG3 GLN 68 HG1 GLN 68 -1.627 -14.829 11.099 541 HE21 GLN 68 HE21 GLN 68 -1.268 -15.671 13.149 542 HE22 GLN 68 HE22 GLN 68 -1.335 -17.319 13.553 543 H ALA 69 HN ALA 69 -5.062 -13.392 9.686 544 HA ALA 69 HA ALA 69 -3.502 -11.392 11.023 545 HB1 ALA 69 HB1 ALA 69 -5.918 -11.074 9.226 546 HB2 ALA 69 HB2 ALA 69 -4.242 -11.147 8.678 547 HB3 ALA 69 HB3 ALA 69 -4.785 -9.800 9.680 548 H LEU 70 HN LEU 70 -6.757 -12.665 11.349 549 HA LEU 70 HA LEU 70 -7.839 -10.638 12.957 550 HB2 LEU 70 HB2 LEU 70 -9.188 -12.425 11.887 551 HB3 LEU 70 HB1 LEU 70 -8.488 -13.598 13.000 552 HG LEU 70 HG LEU 70 -9.398 -12.258 14.914 553 HD11 LEU 70 HD11 LEU 70 -9.682 -10.067 14.207 554 HD12 LEU 70 HD12 LEU 70 -11.333 -10.651 14.072 555 HD13 LEU 70 HD13 LEU 70 -10.323 -10.534 12.633 556 HD21 LEU 70 HD21 LEU 70 -10.701 -14.139 14.204 557 HD22 LEU 70 HD22 LEU 70 -11.311 -13.261 12.802 558 HD23 LEU 70 HD23 LEU 70 -11.825 -12.798 14.424 559 H THR 71 HN THR 71 -5.978 -13.529 13.757 560 HA THR 71 HA THR 71 -6.242 -13.540 16.525 561 HB THR 71 HB THR 71 -3.703 -14.166 15.013 562 HG1 THR 71 HG1 THR 71 -5.924 -15.139 14.427 563 HG21 THR 71 HG21 THR 71 -3.391 -14.180 17.407 564 HG22 THR 71 HG22 THR 71 -3.487 -15.855 16.868 565 HG23 THR 71 HG23 THR 71 -4.877 -15.096 17.644 566 H GLN 72 HN GLN 72 -4.560 -11.327 14.472 567 HA GLN 72 HA GLN 72 -2.692 -10.302 16.341 568 HB2 GLN 72 HB2 GLN 72 -2.583 -9.903 13.891 569 HB3 GLN 72 HB1 GLN 72 -4.001 -8.865 14.026 570 HG2 GLN 72 HG2 GLN 72 -2.039 -7.457 14.071 571 HG3 GLN 72 HG1 GLN 72 -2.744 -7.462 15.679 572 HE21 GLN 72 HE21 GLN 72 -0.837 -7.190 16.940 573 HE22 GLN 72 HE22 GLN 72 0.454 -8.293 16.921 574 H LEU 73 HN LEU 73 -6.044 -9.485 15.596 575 HA LEU 73 HA LEU 73 -6.214 -7.131 17.086 576 HB2 LEU 73 HB2 LEU 73 -8.170 -9.150 16.082 577 HB3 LEU 73 HB1 LEU 73 -8.742 -8.030 17.281 578 HG LEU 73 HG LEU 73 -7.764 -6.167 15.790 579 HD11 LEU 73 HD11 LEU 73 -7.921 -8.409 13.767 580 HD12 LEU 73 HD12 LEU 73 -6.413 -7.767 14.418 581 HD13 LEU 73 HD13 LEU 73 -7.472 -6.734 13.458 582 HD21 LEU 73 HD21 LEU 73 -9.775 -6.111 14.431 583 HD22 LEU 73 HD22 LEU 73 -10.172 -6.646 16.067 584 HD23 LEU 73 HD23 LEU 73 -10.068 -7.820 14.750 585 H LYS 74 HN LYS 74 -6.033 -10.387 18.097 586 HA LYS 74 HA LYS 74 -7.256 -10.151 20.628 587 HB2 LYS 74 HB2 LYS 74 -6.689 -12.321 19.562 588 HB3 LYS 74 HB1 LYS 74 -4.978 -11.973 19.802 589 HG2 LYS 74 HG2 LYS 74 -5.330 -11.874 22.242 590 HG3 LYS 74 HG1 LYS 74 -7.040 -12.200 22.003 591 HD2 LYS 74 HD2 LYS 74 -6.498 -14.363 20.966 592 HD3 LYS 74 HD1 LYS 74 -4.781 -14.045 21.217 593 HE2 LYS 74 HE2 LYS 74 -5.136 -13.945 23.646 594 HE3 LYS 74 HE1 LYS 74 -6.863 -14.221 23.417 595 HZ1 LYS 74 HZ1 LYS 74 -5.306 -16.202 23.937 596 HZ2 LYS 74 HZ2 LYS 74 -4.917 -16.115 22.285 597 HZ3 LYS 74 HZ3 LYS 74 -6.523 -16.384 22.770 598 H GLU 75 HN GLU 75 -3.882 -9.765 19.598 599 HA GLU 75 HA GLU 75 -2.906 -9.191 22.212 600 HB2 GLU 75 HB2 GLU 75 -1.722 -8.725 19.470 601 HB3 GLU 75 HB1 GLU 75 -0.858 -8.430 20.979 602 HG2 GLU 75 HG2 GLU 75 -1.119 -10.773 21.629 603 HG3 GLU 75 HG1 GLU 75 -2.076 -11.091 20.183 604 H GLN 76 HN GLN 76 -4.447 -7.309 19.782 605 HA GLN 76 HA GLN 76 -3.409 -4.774 20.295 606 HB2 GLN 76 HB2 GLN 76 -6.182 -5.620 19.450 607 HB3 GLN 76 HB1 GLN 76 -5.647 -3.950 19.480 608 HG2 GLN 76 HG2 GLN 76 -4.278 -6.159 17.919 609 HG3 GLN 76 HG1 GLN 76 -5.415 -5.004 17.223 610 HE21 GLN 76 HE21 GLN 76 -2.196 -5.520 17.340 611 HE22 GLN 76 HE22 GLN 76 -1.632 -3.920 17.360 612 H VAL 77 HN VAL 77 -6.458 -6.100 21.609 613 HA VAL 77 HA VAL 77 -6.906 -4.051 23.437 614 HB VAL 77 HB VAL 77 -7.646 -6.963 23.684 615 HG11 VAL 77 HG11 VAL 77 -8.384 -6.250 25.743 616 HG12 VAL 77 HG12 VAL 77 -9.669 -5.463 24.841 617 HG13 VAL 77 HG13 VAL 77 -8.253 -4.554 25.298 618 HG21 VAL 77 HG21 VAL 77 -8.514 -6.194 21.604 619 HG22 VAL 77 HG22 VAL 77 -8.913 -4.611 22.281 620 HG23 VAL 77 HG23 VAL 77 -9.851 -6.023 22.748 621 H THR 78 HN THR 78 -5.086 -7.072 23.803 622 HA THR 78 HA THR 78 -4.596 -7.194 26.484 623 HB THR 78 HB THR 78 -2.386 -7.478 24.437 624 HG1 THR 78 HG1 THR 78 -4.434 -8.523 23.879 625 HG21 THR 78 HG21 THR 78 -1.654 -9.265 25.978 626 HG22 THR 78 HG22 THR 78 -3.015 -8.898 27.038 627 HG23 THR 78 HG23 THR 78 -1.739 -7.705 26.797 628 H SER 79 HN SER 79 -2.900 -5.100 24.150 629 HA SER 79 HA SER 79 -1.260 -3.849 26.149 630 HB2 SER 79 HB2 SER 79 -0.577 -3.960 23.784 631 HB3 SER 79 HB1 SER 79 -1.941 -2.936 23.345 632 HG SER 79 HG SER 79 -1.023 -1.256 24.384 633 H ALA 80 HN ALA 80 -4.374 -3.182 24.657 634 HA ALA 80 HA ALA 80 -4.707 -0.516 25.463 635 HB1 ALA 80 HB1 ALA 80 -6.187 -1.804 23.866 636 HB2 ALA 80 HB2 ALA 80 -7.054 -0.843 25.063 637 HB3 ALA 80 HB3 ALA 80 -6.905 -2.586 25.273 638 H LEU 81 HN LEU 81 -5.732 -3.521 27.080 639 HA LEU 81 HA LEU 81 -6.737 -2.223 29.405 640 HB2 LEU 81 HB2 LEU 81 -5.731 -5.059 29.146 641 HB3 LEU 81 HB1 LEU 81 -6.848 -4.432 30.365 642 HG LEU 81 HG LEU 81 -7.363 -4.477 27.388 643 HD11 LEU 81 HD11 LEU 81 -8.365 -6.238 29.645 644 HD12 LEU 81 HD12 LEU 81 -7.425 -6.746 28.241 645 HD13 LEU 81 HD13 LEU 81 -9.092 -6.206 28.039 646 HD21 LEU 81 HD21 LEU 81 -8.908 -3.484 29.782 647 HD22 LEU 81 HD22 LEU 81 -9.774 -4.056 28.358 648 HD23 LEU 81 HD23 LEU 81 -8.657 -2.704 28.221 649 H GLY 82 HN GLY 82 -3.582 -3.398 28.461 650 HA2 GLY 82 HA2 GLY 82 -1.539 -2.657 29.356 651 HA3 GLY 82 HA1 GLY 82 -2.392 -2.031 30.761 652 H LEU 83 HN LEU 83 -3.357 -5.174 29.907 653 HA LEU 83 HA LEU 83 -2.373 -6.296 32.320 654 HB2 LEU 83 HB2 LEU 83 -3.804 -7.298 29.893 655 HB3 LEU 83 HB1 LEU 83 -2.981 -8.518 30.862 656 HG LEU 83 HG LEU 83 -4.200 -7.417 32.890 657 HD11 LEU 83 HD11 LEU 83 -6.203 -6.583 30.821 658 HD12 LEU 83 HD12 LEU 83 -4.915 -5.465 31.279 659 HD13 LEU 83 HD13 LEU 83 -6.042 -6.055 32.492 660 HD21 LEU 83 HD21 LEU 83 -5.583 -9.015 30.742 661 HD22 LEU 83 HD22 LEU 83 -6.299 -8.708 32.324 662 HD23 LEU 83 HD23 LEU 83 -4.788 -9.612 32.200 663 H GLU 84 HN GLU 84 -1.267 -6.468 28.975 664 HA GLU 84 HA GLU 84 0.705 -7.214 28.069 665 HB2 GLU 84 HB2 GLU 84 1.650 -6.448 30.841 666 HB3 GLU 84 HB1 GLU 84 2.733 -6.883 29.522 667 HG2 GLU 84 HG2 GLU 84 0.687 -4.653 29.377 668 HG3 GLU 84 HG1 GLU 84 2.391 -4.409 29.753 669 H HIS 85 HN HIS 85 -1.083 -9.066 29.698 670 HA HIS 85 HA HIS 85 0.827 -11.098 30.599 671 HB2 HIS 85 HB2 HIS 85 -1.233 -10.625 31.911 672 HB3 HIS 85 HB1 HIS 85 -2.198 -11.179 30.544 673 HD2 HIS 85 HD2 HIS 85 0.007 -12.685 33.401 674 HE1 HIS 85 HE1 HIS 85 -1.506 -15.897 31.117 675 HE2 HIS 85 HE2 HIS 85 -0.251 -15.278 33.236 676 H HIS 86 HN HIS 86 1.557 -12.640 29.303 677 HA HIS 86 HA HIS 86 -0.133 -13.900 27.334 678 HB2 HIS 86 HB2 HIS 86 0.722 -11.808 26.188 679 HB3 HIS 86 HB1 HIS 86 2.341 -12.493 26.321 680 HD2 HIS 86 HD2 HIS 86 -1.102 -13.508 24.602 681 HE1 HIS 86 HE1 HIS 86 2.066 -15.466 22.614 682 HE2 HIS 86 HE2 HIS 86 -0.440 -15.052 22.603 683 H HIS 87 HN HIS 87 1.204 -14.826 29.636 684 HA HIS 87 HA HIS 87 3.711 -16.023 29.084 685 HB2 HIS 87 HB2 HIS 87 2.756 -15.713 31.369 686 HB3 HIS 87 HB1 HIS 87 1.582 -16.981 31.011 687 HD2 HIS 87 HD2 HIS 87 5.196 -16.676 32.272 688 HE1 HIS 87 HE1 HIS 87 4.656 -20.720 31.189 689 HE2 HIS 87 HE2 HIS 87 6.195 -19.086 32.376 690 H HIS 88 HN HIS 88 0.378 -17.228 28.830 691 HA HIS 88 HA HIS 88 -0.516 -19.031 27.721 692 HB2 HIS 88 HB2 HIS 88 0.634 -17.856 25.809 693 HB3 HIS 88 HB1 HIS 88 2.009 -18.933 26.058 694 HD2 HIS 88 HD2 HIS 88 1.767 -21.286 24.638 695 HE1 HIS 88 HE1 HIS 88 -2.422 -21.248 24.113 696 HE2 HIS 88 HE2 HIS 88 -0.281 -22.498 23.563 697 H HIS 89 HN HIS 89 0.202 -21.352 26.830 698 HA HIS 89 HA HIS 89 0.851 -23.459 27.476 699 HB2 HIS 89 HB2 HIS 89 3.038 -22.642 26.729 700 HB3 HIS 89 HB1 HIS 89 3.336 -21.946 28.321 701 HD2 HIS 89 HD2 HIS 89 4.341 -23.755 30.195 702 HE1 HIS 89 HE1 HIS 89 3.819 -27.262 27.904 703 HE2 HIS 89 HE2 HIS 89 4.786 -26.323 30.056 704 H HIS 90 HN HIS 90 2.973 -22.532 29.974 705 HA HIS 90 HA HIS 90 1.083 -22.363 32.116 706 HB2 HIS 90 HB2 HIS 90 0.842 -24.759 31.594 707 HB3 HIS 90 HB1 HIS 90 2.583 -24.973 31.782 708 HD2 HIS 90 HD2 HIS 90 3.365 -25.465 34.396 709 HE1 HIS 90 HE1 HIS 90 -0.210 -24.274 36.302 710 HE2 HIS 90 HE2 HIS 90 2.085 -25.298 36.667
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