NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
564931 | 2lxk | 18680 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 1.271 -3.514 0.934 2 H2 MET 1 HT2 MET 1 0.703 -2.076 1.622 3 H3 MET 1 HT3 MET 1 2.350 -2.465 1.713 4 HA MET 1 HA MET 1 0.832 -1.855 -0.754 5 HB2 MET 1 HB2 MET 1 2.917 -0.304 0.784 6 HB3 MET 1 HB1 MET 1 2.400 0.104 -0.841 7 HG2 MET 1 HG2 MET 1 0.121 0.463 -0.008 8 HG3 MET 1 HG1 MET 1 0.676 0.099 1.626 9 HE1 MET 1 HE1 MET 1 0.084 3.994 1.693 10 HE2 MET 1 HE2 MET 1 -0.299 2.460 2.469 11 HE3 MET 1 HE3 MET 1 -0.857 2.780 0.827 12 H GLU 2 HN GLU 2 2.413 -4.329 -0.375 13 HA GLU 2 HA GLU 2 4.985 -3.651 -1.554 14 HB2 GLU 2 HB2 GLU 2 3.827 -6.239 -0.536 15 HB3 GLU 2 HB1 GLU 2 5.371 -6.153 -1.372 16 HG2 GLU 2 HG2 GLU 2 4.703 -4.645 1.146 17 HG3 GLU 2 HG1 GLU 2 5.571 -6.179 1.090 18 H GLN 3 HN GLN 3 3.878 -2.790 -3.422 19 HA GLN 3 HA GLN 3 2.892 -4.782 -5.330 20 HB2 GLN 3 HB2 GLN 3 1.596 -2.676 -4.919 21 HB3 GLN 3 HB1 GLN 3 2.958 -1.756 -5.534 22 HG2 GLN 3 HG2 GLN 3 1.617 -3.845 -7.206 23 HG3 GLN 3 HG1 GLN 3 0.966 -2.214 -7.085 24 HE21 GLN 3 HE21 GLN 3 2.080 -3.669 -9.370 25 HE22 GLN 3 HE22 GLN 3 3.367 -2.686 -9.983 26 H GLY 4 HN GLY 4 3.955 -5.184 -7.282 27 HA2 GLY 4 HA2 GLY 4 6.144 -3.618 -8.191 28 HA3 GLY 4 HA1 GLY 4 6.722 -5.041 -7.335 29 H THR 5 HN THR 5 7.518 -4.933 -9.792 30 HA THR 5 HA THR 5 5.659 -6.466 -11.460 31 HB THR 5 HB THR 5 8.349 -5.281 -12.191 32 HG1 THR 5 HG1 THR 5 6.100 -4.017 -11.699 33 HG21 THR 5 HG21 THR 5 6.108 -6.343 -13.916 34 HG22 THR 5 HG22 THR 5 7.673 -7.114 -13.659 35 HG23 THR 5 HG23 THR 5 7.580 -5.571 -14.506 36 H VAL 6 HN VAL 6 5.993 -8.585 -11.912 37 HA VAL 6 HA VAL 6 7.906 -10.078 -10.419 38 HB VAL 6 HB VAL 6 6.278 -10.976 -12.808 39 HG11 VAL 6 HG11 VAL 6 8.139 -12.469 -12.330 40 HG12 VAL 6 HG12 VAL 6 6.607 -13.234 -11.901 41 HG13 VAL 6 HG13 VAL 6 7.644 -12.566 -10.639 42 HG21 VAL 6 HG21 VAL 6 5.644 -11.138 -9.864 43 HG22 VAL 6 HG22 VAL 6 4.695 -11.866 -11.161 44 HG23 VAL 6 HG23 VAL 6 4.839 -10.111 -11.050 45 H LYS 7 HN LYS 7 10.000 -10.171 -10.859 46 HA LYS 7 HA LYS 7 11.077 -9.197 -13.310 47 HB2 LYS 7 HB2 LYS 7 12.252 -8.963 -11.141 48 HB3 LYS 7 HB1 LYS 7 12.448 -10.709 -11.074 49 HG2 LYS 7 HG2 LYS 7 14.497 -9.641 -11.796 50 HG3 LYS 7 HG1 LYS 7 13.827 -10.631 -13.093 51 HD2 LYS 7 HD2 LYS 7 14.585 -8.545 -14.020 52 HD3 LYS 7 HD1 LYS 7 12.821 -8.581 -14.066 53 HE2 LYS 7 HE2 LYS 7 12.824 -7.274 -11.935 54 HE3 LYS 7 HE1 LYS 7 14.572 -7.113 -12.102 55 HZ1 LYS 7 HZ1 LYS 7 13.500 -5.168 -12.969 56 HZ2 LYS 7 HZ2 LYS 7 12.507 -6.099 -13.977 57 HZ3 LYS 7 HZ3 LYS 7 14.177 -6.028 -14.268 58 H TRP 8 HN TRP 8 11.239 -12.401 -11.755 59 HA TRP 8 HA TRP 8 10.574 -13.826 -14.101 60 HB2 TRP 8 HB2 TRP 8 12.901 -13.030 -14.717 61 HB3 TRP 8 HB1 TRP 8 13.511 -14.013 -13.388 62 HD1 TRP 8 HD1 TRP 8 11.278 -14.601 -16.516 63 HE1 TRP 8 HE1 TRP 8 11.905 -16.884 -17.524 64 HE3 TRP 8 HE3 TRP 8 14.826 -16.031 -13.126 65 HZ2 TRP 8 HZ2 TRP 8 13.674 -19.009 -16.956 66 HZ3 TRP 8 HZ3 TRP 8 15.937 -18.204 -13.431 67 HH2 TRP 8 HH2 TRP 8 15.373 -19.661 -15.304 68 H PHE 9 HN PHE 9 10.718 -16.183 -13.746 69 HA PHE 9 HA PHE 9 10.886 -16.825 -10.882 70 HB2 PHE 9 HB2 PHE 9 8.964 -18.387 -11.218 71 HB3 PHE 9 HB1 PHE 9 8.545 -16.693 -11.427 72 HD1 PHE 9 HD1 PHE 9 8.509 -15.813 -13.870 73 HD2 PHE 9 HD2 PHE 9 8.363 -19.935 -12.820 74 HE1 PHE 9 HE1 PHE 9 7.517 -16.333 -16.058 75 HE2 PHE 9 HE2 PHE 9 7.380 -20.460 -15.011 76 HZ PHE 9 HZ PHE 9 6.955 -18.659 -16.632 77 H ASN 10 HN ASN 10 12.514 -18.178 -10.564 78 HA ASN 10 HA ASN 10 13.484 -19.830 -12.721 79 HB2 ASN 10 HB2 ASN 10 15.222 -20.568 -11.089 80 HB3 ASN 10 HB1 ASN 10 15.171 -18.828 -11.325 81 HD21 ASN 10 HD21 ASN 10 14.242 -17.536 -9.668 82 HD22 ASN 10 HD22 ASN 10 14.210 -18.095 -8.035 83 H ALA 11 HN ALA 11 11.820 -21.187 -13.136 84 HA ALA 11 HA ALA 11 10.419 -22.684 -11.227 85 HB1 ALA 11 HB1 ALA 11 10.845 -23.294 -14.147 86 HB2 ALA 11 HB2 ALA 11 9.560 -22.292 -13.471 87 HB3 ALA 11 HB3 ALA 11 9.615 -24.018 -13.111 88 H GLU 12 HN GLU 12 13.580 -23.084 -12.451 89 HA GLU 12 HA GLU 12 13.986 -25.828 -12.172 90 HB2 GLU 12 HB2 GLU 12 15.680 -24.340 -13.098 91 HB3 GLU 12 HB1 GLU 12 15.860 -23.536 -11.546 92 HG2 GLU 12 HG2 GLU 12 17.682 -25.108 -12.051 93 HG3 GLU 12 HG1 GLU 12 16.815 -25.502 -10.569 94 H LYS 13 HN LYS 13 14.128 -23.248 -9.721 95 HA LYS 13 HA LYS 13 14.330 -25.278 -7.624 96 HB2 LYS 13 HB2 LYS 13 14.312 -22.263 -7.401 97 HB3 LYS 13 HB1 LYS 13 14.569 -23.385 -6.074 98 HG2 LYS 13 HG2 LYS 13 16.594 -24.215 -7.334 99 HG3 LYS 13 HG1 LYS 13 16.376 -22.829 -8.406 100 HD2 LYS 13 HD2 LYS 13 16.470 -21.348 -6.406 101 HD3 LYS 13 HD1 LYS 13 16.852 -22.765 -5.429 102 HE2 LYS 13 HE2 LYS 13 18.916 -21.725 -5.905 103 HE3 LYS 13 HE1 LYS 13 18.824 -23.133 -6.962 104 HZ1 LYS 13 HZ1 LYS 13 19.628 -21.143 -8.110 105 HZ2 LYS 13 HZ2 LYS 13 18.173 -20.347 -7.767 106 HZ3 LYS 13 HZ3 LYS 13 18.175 -21.709 -8.784 107 H GLY 14 HN GLY 14 12.179 -22.817 -8.893 108 HA2 GLY 14 HA2 GLY 14 9.785 -23.104 -8.770 109 HA3 GLY 14 HA1 GLY 14 10.009 -23.913 -7.222 110 H PHE 15 HN PHE 15 11.714 -21.006 -8.119 111 HA PHE 15 HA PHE 15 10.150 -19.526 -6.109 112 HB2 PHE 15 HB2 PHE 15 13.128 -19.568 -6.571 113 HB3 PHE 15 HB1 PHE 15 12.339 -18.225 -5.756 114 HD1 PHE 15 HD1 PHE 15 11.134 -18.634 -3.619 115 HD2 PHE 15 HD2 PHE 15 13.589 -21.579 -5.458 116 HE1 PHE 15 HE1 PHE 15 11.279 -19.839 -1.479 117 HE2 PHE 15 HE2 PHE 15 13.735 -22.795 -3.325 118 HZ PHE 15 HZ PHE 15 12.582 -21.924 -1.332 119 H GLY 16 HN GLY 16 9.601 -17.445 -6.592 120 HA2 GLY 16 HA2 GLY 16 10.455 -16.478 -9.248 121 HA3 GLY 16 HA1 GLY 16 8.924 -16.061 -8.485 122 H PHE 17 HN PHE 17 11.216 -14.390 -9.456 123 HA PHE 17 HA PHE 17 11.696 -12.978 -6.922 124 HB2 PHE 17 HB2 PHE 17 13.240 -12.934 -9.522 125 HB3 PHE 17 HB1 PHE 17 13.498 -11.765 -8.232 126 HD1 PHE 17 HD2 PHE 17 14.037 -12.759 -5.895 127 HD2 PHE 17 HD1 PHE 17 14.472 -14.876 -9.559 128 HE1 PHE 17 HE2 PHE 17 15.631 -14.292 -4.819 129 HE2 PHE 17 HE1 PHE 17 16.068 -16.411 -8.489 130 HZ PHE 17 HZ PHE 17 16.649 -16.119 -6.115 131 H ILE 18 HN ILE 18 10.874 -11.040 -6.646 132 HA ILE 18 HA ILE 18 9.654 -9.683 -8.957 133 HB ILE 18 HB ILE 18 8.663 -9.730 -6.092 134 HG12 ILE 18 HG12 ILE 18 7.435 -10.855 -8.621 135 HG13 ILE 18 HG11 ILE 18 8.240 -11.804 -7.378 136 HG21 ILE 18 HG21 ILE 18 6.748 -8.436 -6.926 137 HG22 ILE 18 HG22 ILE 18 7.527 -8.314 -8.505 138 HG23 ILE 18 HG23 ILE 18 8.265 -7.554 -7.093 139 HD11 ILE 18 HD11 ILE 18 6.527 -11.109 -5.772 140 HD12 ILE 18 HD12 ILE 18 5.851 -11.966 -7.156 141 HD13 ILE 18 HD13 ILE 18 5.712 -10.211 -7.051 142 H GLU 19 HN GLU 19 9.849 -7.410 -9.010 143 HA GLU 19 HA GLU 19 12.247 -6.544 -7.565 144 HB2 GLU 19 HB2 GLU 19 12.367 -6.556 -10.010 145 HB3 GLU 19 HB1 GLU 19 10.988 -5.473 -10.092 146 HG2 GLU 19 HG2 GLU 19 12.212 -3.662 -9.262 147 HG3 GLU 19 HG1 GLU 19 13.500 -4.702 -8.653 148 H ARG 20 HN ARG 20 12.155 -5.061 -6.067 149 HA ARG 20 HA ARG 20 9.897 -3.166 -6.025 150 HB2 ARG 20 HB2 ARG 20 9.792 -4.879 -4.196 151 HB3 ARG 20 HB1 ARG 20 11.356 -4.313 -3.629 152 HG2 ARG 20 HG2 ARG 20 10.055 -3.095 -2.244 153 HG3 ARG 20 HG1 ARG 20 10.047 -1.987 -3.618 154 HD2 ARG 20 HD2 ARG 20 7.796 -2.233 -2.874 155 HD3 ARG 20 HD1 ARG 20 7.952 -3.113 -4.398 156 HE ARG 20 HE ARG 20 7.865 -4.344 -1.712 157 HH11 ARG 20 HH11 ARG 20 7.338 -4.519 -5.178 158 HH12 ARG 20 HH12 ARG 20 6.778 -6.156 -5.126 159 HH21 ARG 20 HH21 ARG 20 7.157 -6.462 -1.646 160 HH22 ARG 20 HH22 ARG 20 6.655 -7.268 -3.102 161 H GLU 21 HN GLU 21 10.452 -1.087 -5.033 162 HA GLU 21 HA GLU 21 12.928 -0.006 -5.797 163 HB2 GLU 21 HB2 GLU 21 10.854 1.305 -5.427 164 HB3 GLU 21 HB1 GLU 21 10.985 0.993 -3.703 165 HG2 GLU 21 HG2 GLU 21 13.240 2.139 -3.814 166 HG3 GLU 21 HG1 GLU 21 12.767 2.674 -5.428 167 H ASN 22 HN ASN 22 11.687 -1.109 -2.665 168 HA ASN 22 HA ASN 22 14.057 -0.503 -1.202 169 HB2 ASN 22 HB2 ASN 22 11.912 -0.576 -0.080 170 HB3 ASN 22 HB1 ASN 22 11.677 -2.253 -0.547 171 HD21 ASN 22 HD21 ASN 22 12.531 -3.843 0.681 172 HD22 ASN 22 HD22 ASN 22 13.444 -3.578 2.131 173 H GLY 23 HN GLY 23 13.127 -3.179 -3.168 174 HA2 GLY 23 HA2 GLY 23 15.660 -4.415 -2.931 175 HA3 GLY 23 HA1 GLY 23 14.484 -5.286 -1.957 176 H ASP 24 HN ASP 24 15.950 -5.272 -4.867 177 HA ASP 24 HA ASP 24 13.610 -6.219 -6.360 178 HB2 ASP 24 HB2 ASP 24 15.047 -6.041 -8.341 179 HB3 ASP 24 HB1 ASP 24 15.030 -4.529 -7.444 180 H ASP 25 HN ASP 25 14.020 -7.971 -4.527 181 HA ASP 25 HA ASP 25 14.876 -10.330 -5.872 182 HB2 ASP 25 HB2 ASP 25 16.569 -10.968 -4.079 183 HB3 ASP 25 HB1 ASP 25 17.091 -9.763 -5.247 184 H VAL 26 HN VAL 26 12.457 -9.593 -4.896 185 HA VAL 26 HA VAL 26 12.093 -10.728 -2.253 186 HB VAL 26 HB VAL 26 10.013 -9.753 -4.226 187 HG11 VAL 26 HG11 VAL 26 9.797 -10.385 -1.282 188 HG12 VAL 26 HG12 VAL 26 9.077 -11.301 -2.608 189 HG13 VAL 26 HG13 VAL 26 8.527 -9.659 -2.268 190 HG21 VAL 26 HG21 VAL 26 11.518 -7.954 -3.581 191 HG22 VAL 26 HG22 VAL 26 11.278 -8.337 -1.877 192 HG23 VAL 26 HG23 VAL 26 9.934 -7.725 -2.840 193 H PHE 27 HN PHE 27 11.839 -12.805 -1.913 194 HA PHE 27 HA PHE 27 11.540 -14.649 -4.097 195 HB2 PHE 27 HB2 PHE 27 11.688 -15.092 -1.108 196 HB3 PHE 27 HB1 PHE 27 11.653 -16.383 -2.298 197 HD1 PHE 27 HD1 PHE 27 13.631 -13.490 -1.108 198 HD2 PHE 27 HD2 PHE 27 13.608 -17.103 -3.355 199 HE1 PHE 27 HE1 PHE 27 16.085 -13.408 -1.255 200 HE2 PHE 27 HE2 PHE 27 16.063 -17.027 -3.509 201 HZ PHE 27 HZ PHE 27 17.305 -15.178 -2.459 202 H VAL 28 HN VAL 28 9.523 -14.695 -4.985 203 HA VAL 28 HA VAL 28 7.250 -15.027 -3.163 204 HB VAL 28 HB VAL 28 6.955 -13.382 -4.970 205 HG11 VAL 28 HG11 VAL 28 8.375 -14.394 -6.668 206 HG12 VAL 28 HG12 VAL 28 6.755 -14.088 -7.297 207 HG13 VAL 28 HG13 VAL 28 7.231 -15.727 -6.847 208 HG21 VAL 28 HG21 VAL 28 4.803 -14.206 -5.827 209 HG22 VAL 28 HG22 VAL 28 4.993 -14.489 -4.097 210 HG23 VAL 28 HG23 VAL 28 5.202 -15.820 -5.235 211 H HIS 29 HN HIS 29 6.169 -16.916 -2.961 212 HA HIS 29 HA HIS 29 6.841 -19.084 -4.792 213 HB2 HIS 29 HB2 HIS 29 7.153 -20.684 -2.941 214 HB3 HIS 29 HB1 HIS 29 8.376 -19.424 -2.954 215 HD1 HIS 29 HD1 HIS 29 6.534 -21.287 -0.665 216 HD2 HIS 29 HD2 HIS 29 7.423 -17.235 -0.981 217 HE1 HIS 29 HE1 HIS 29 6.254 -20.348 1.654 218 HE2 HIS 29 HE2 HIS 29 7.055 -17.964 1.480 219 H PHE 30 HN PHE 30 5.338 -20.865 -4.749 220 HA PHE 30 HA PHE 30 2.743 -19.678 -4.948 221 HB2 PHE 30 HB2 PHE 30 3.696 -22.478 -5.541 222 HB3 PHE 30 HB1 PHE 30 2.087 -21.871 -5.917 223 HD1 PHE 30 HD2 PHE 30 1.847 -19.984 -7.542 224 HD2 PHE 30 HD1 PHE 30 5.529 -22.033 -6.946 225 HE1 PHE 30 HE2 PHE 30 2.677 -19.106 -9.687 226 HE2 PHE 30 HE1 PHE 30 6.366 -21.159 -9.090 227 HZ PHE 30 HZ PHE 30 4.940 -19.694 -10.462 228 H SER 31 HN SER 31 4.093 -20.710 -2.252 229 HA SER 31 HA SER 31 1.907 -22.260 -1.179 230 HB2 SER 31 HB2 SER 31 4.130 -20.904 0.362 231 HB3 SER 31 HB1 SER 31 3.147 -22.277 0.870 232 HG SER 31 HG SER 31 4.759 -23.390 0.093 233 H ALA 32 HN ALA 32 2.407 -19.044 -1.886 234 HA ALA 32 HA ALA 32 0.313 -18.216 0.015 235 HB1 ALA 32 HB1 ALA 32 2.481 -17.332 0.742 236 HB2 ALA 32 HB2 ALA 32 1.398 -16.038 0.229 237 HB3 ALA 32 HB3 ALA 32 2.698 -16.573 -0.834 238 H ILE 33 HN ILE 33 0.437 -19.054 -2.907 239 HA ILE 33 HA ILE 33 -0.222 -16.653 -4.371 240 HB ILE 33 HB ILE 33 0.961 -18.600 -5.420 241 HG12 ILE 33 HG12 ILE 33 -0.345 -18.555 -7.540 242 HG13 ILE 33 HG11 ILE 33 -1.660 -17.763 -6.678 243 HG21 ILE 33 HG21 ILE 33 -0.241 -20.429 -4.412 244 HG22 ILE 33 HG22 ILE 33 -0.397 -20.522 -6.166 245 HG23 ILE 33 HG23 ILE 33 -1.738 -19.919 -5.192 246 HD11 ILE 33 HD11 ILE 33 -0.337 -16.165 -7.931 247 HD12 ILE 33 HD12 ILE 33 1.114 -16.661 -7.061 248 HD13 ILE 33 HD13 ILE 33 -0.204 -15.865 -6.199 249 H GLN 34 HN GLN 34 -2.285 -16.237 -5.325 250 HA GLN 34 HA GLN 34 -4.482 -16.944 -3.582 251 HB2 GLN 34 HB2 GLN 34 -5.744 -15.285 -4.862 252 HB3 GLN 34 HB1 GLN 34 -4.202 -14.627 -4.332 253 HG2 GLN 34 HG2 GLN 34 -3.279 -14.792 -6.502 254 HG3 GLN 34 HG1 GLN 34 -4.628 -15.771 -7.077 255 HE21 GLN 34 HE21 GLN 34 -3.593 -13.273 -8.122 256 HE22 GLN 34 HE22 GLN 34 -4.918 -12.160 -8.098 257 H GLY 35 HN GLY 35 -6.621 -16.791 -5.374 258 HA2 GLY 35 HA2 GLY 35 -6.240 -19.208 -7.029 259 HA3 GLY 35 HA1 GLY 35 -7.707 -18.903 -6.108 260 H ASP 36 HN ASP 36 -9.241 -18.635 -7.596 261 HA ASP 36 HA ASP 36 -10.483 -17.733 -9.270 262 HB2 ASP 36 HB2 ASP 36 -8.562 -15.423 -8.930 263 HB3 ASP 36 HB1 ASP 36 -9.968 -15.377 -9.987 264 H GLY 37 HN GLY 37 -7.839 -19.186 -9.802 265 HA2 GLY 37 HA2 GLY 37 -7.183 -20.100 -11.881 266 HA3 GLY 37 HA1 GLY 37 -7.852 -18.684 -12.685 267 H PHE 38 HN PHE 38 -6.392 -17.070 -10.484 268 HA PHE 38 HA PHE 38 -4.020 -16.667 -12.078 269 HB2 PHE 38 HB2 PHE 38 -5.018 -15.266 -9.589 270 HB3 PHE 38 HB1 PHE 38 -3.559 -14.812 -10.461 271 HD1 PHE 38 HD1 PHE 38 -3.747 -13.971 -12.801 272 HD2 PHE 38 HD2 PHE 38 -7.151 -14.576 -10.319 273 HE1 PHE 38 HE1 PHE 38 -5.076 -12.518 -14.277 274 HE2 PHE 38 HE2 PHE 38 -8.487 -13.129 -11.793 275 HZ PHE 38 HZ PHE 38 -7.450 -12.097 -13.775 276 H LYS 39 HN LYS 39 -3.160 -18.779 -11.672 277 HA LYS 39 HA LYS 39 -1.633 -18.860 -9.156 278 HB2 LYS 39 HB2 LYS 39 -1.483 -21.359 -9.601 279 HB3 LYS 39 HB1 LYS 39 -3.060 -20.752 -9.124 280 HG2 LYS 39 HG2 LYS 39 -3.552 -22.231 -10.835 281 HG3 LYS 39 HG1 LYS 39 -3.560 -20.666 -11.647 282 HD2 LYS 39 HD2 LYS 39 -1.243 -21.086 -12.405 283 HD3 LYS 39 HD1 LYS 39 -1.314 -22.684 -11.655 284 HE2 LYS 39 HE2 LYS 39 -3.208 -23.265 -13.108 285 HE3 LYS 39 HE1 LYS 39 -3.102 -21.678 -13.868 286 HZ1 LYS 39 HZ1 LYS 39 -1.144 -23.902 -14.010 287 HZ2 LYS 39 HZ2 LYS 39 -0.758 -22.317 -14.482 288 HZ3 LYS 39 HZ3 LYS 39 -1.989 -23.160 -15.283 289 H SER 40 HN SER 40 -1.394 -17.923 -12.141 290 HA SER 40 HA SER 40 1.225 -19.121 -12.692 291 HB2 SER 40 HB2 SER 40 -0.582 -17.570 -14.563 292 HB3 SER 40 HB1 SER 40 0.877 -18.457 -15.000 293 HG SER 40 HG SER 40 -0.708 -19.851 -15.465 294 H LEU 41 HN LEU 41 2.952 -17.886 -12.283 295 HA LEU 41 HA LEU 41 2.608 -14.968 -12.363 296 HB2 LEU 41 HB2 LEU 41 4.753 -16.643 -11.048 297 HB3 LEU 41 HB1 LEU 41 4.780 -14.891 -11.134 298 HG LEU 41 HG LEU 41 2.682 -16.534 -9.712 299 HD11 LEU 41 HD11 LEU 41 3.687 -15.581 -7.674 300 HD12 LEU 41 HD12 LEU 41 4.976 -14.893 -8.661 301 HD13 LEU 41 HD13 LEU 41 4.791 -16.643 -8.550 302 HD21 LEU 41 HD21 LEU 41 1.891 -14.397 -8.850 303 HD22 LEU 41 HD22 LEU 41 1.806 -14.428 -10.613 304 HD23 LEU 41 HD23 LEU 41 3.105 -13.548 -9.807 305 H ASP 42 HN ASP 42 3.551 -13.866 -13.962 306 HA ASP 42 HA ASP 42 5.427 -15.336 -15.679 307 HB2 ASP 42 HB2 ASP 42 3.134 -15.196 -16.649 308 HB3 ASP 42 HB1 ASP 42 3.266 -13.441 -16.618 309 H GLU 43 HN GLU 43 7.038 -14.192 -16.645 310 HA GLU 43 HA GLU 43 8.106 -12.067 -15.154 311 HB2 GLU 43 HB2 GLU 43 9.802 -11.968 -17.004 312 HB3 GLU 43 HB1 GLU 43 9.587 -13.557 -16.284 313 HG2 GLU 43 HG2 GLU 43 8.131 -14.181 -18.177 314 HG3 GLU 43 HG1 GLU 43 8.452 -12.609 -18.906 315 H GLY 44 HN GLY 44 7.692 -9.968 -15.214 316 HA2 GLY 44 HA2 GLY 44 7.642 -7.907 -16.401 317 HA3 GLY 44 HA1 GLY 44 6.980 -8.754 -17.788 318 H GLN 45 HN GLN 45 5.233 -9.963 -15.282 319 HA GLN 45 HA GLN 45 3.089 -8.059 -15.826 320 HB2 GLN 45 HB2 GLN 45 1.566 -9.651 -15.059 321 HB3 GLN 45 HB1 GLN 45 2.809 -10.619 -15.836 322 HG2 GLN 45 HG2 GLN 45 3.754 -11.215 -13.715 323 HG3 GLN 45 HG1 GLN 45 2.662 -10.116 -12.872 324 HE21 GLN 45 HE21 GLN 45 2.967 -12.922 -12.427 325 HE22 GLN 45 HE22 GLN 45 1.440 -13.665 -12.762 326 H ALA 46 HN ALA 46 1.791 -7.158 -14.109 327 HA ALA 46 HA ALA 46 3.466 -6.427 -11.811 328 HB1 ALA 46 HB1 ALA 46 2.008 -4.480 -11.585 329 HB2 ALA 46 HB2 ALA 46 1.020 -5.055 -12.927 330 HB3 ALA 46 HB3 ALA 46 2.694 -4.577 -13.205 331 H VAL 47 HN VAL 47 2.849 -6.786 -9.753 332 HA VAL 47 HA VAL 47 0.146 -7.801 -9.230 333 HB VAL 47 HB VAL 47 1.124 -9.521 -7.667 334 HG11 VAL 47 HG11 VAL 47 1.726 -9.849 -10.604 335 HG12 VAL 47 HG12 VAL 47 0.185 -10.173 -9.810 336 HG13 VAL 47 HG13 VAL 47 1.597 -11.159 -9.430 337 HG21 VAL 47 HG21 VAL 47 3.372 -8.578 -7.492 338 HG22 VAL 47 HG22 VAL 47 3.658 -8.934 -9.196 339 HG23 VAL 47 HG23 VAL 47 3.420 -10.251 -8.048 340 H THR 48 HN THR 48 -0.362 -7.837 -6.884 341 HA THR 48 HA THR 48 1.242 -5.925 -5.311 342 HB THR 48 HB THR 48 -1.783 -6.090 -5.264 343 HG1 THR 48 HG1 THR 48 -0.253 -4.963 -7.087 344 HG21 THR 48 HG21 THR 48 -0.755 -5.318 -3.172 345 HG22 THR 48 HG22 THR 48 -1.624 -4.009 -3.976 346 HG23 THR 48 HG23 THR 48 0.137 -4.083 -4.064 347 H PHE 49 HN PHE 49 1.609 -6.600 -3.200 348 HA PHE 49 HA PHE 49 0.096 -8.739 -2.052 349 HB2 PHE 49 HB2 PHE 49 2.037 -10.341 -1.981 350 HB3 PHE 49 HB1 PHE 49 1.317 -10.114 -3.570 351 HD1 PHE 49 HD2 PHE 49 2.490 -8.660 -5.239 352 HD2 PHE 49 HD1 PHE 49 4.305 -9.893 -1.596 353 HE1 PHE 49 HE2 PHE 49 4.703 -8.142 -6.172 354 HE2 PHE 49 HE1 PHE 49 6.521 -9.380 -2.525 355 HZ PHE 49 HZ PHE 49 6.722 -8.505 -4.815 356 H ASP 50 HN ASP 50 1.567 -9.721 -0.158 357 HA ASP 50 HA ASP 50 2.752 -7.395 1.230 358 HB2 ASP 50 HB2 ASP 50 0.688 -8.595 2.201 359 HB3 ASP 50 HB1 ASP 50 1.788 -9.919 2.570 360 H VAL 51 HN VAL 51 4.707 -7.793 2.483 361 HA VAL 51 HA VAL 51 6.163 -10.204 1.631 362 HB VAL 51 HB VAL 51 7.238 -7.382 1.687 363 HG11 VAL 51 HG11 VAL 51 8.749 -9.965 1.287 364 HG12 VAL 51 HG12 VAL 51 8.888 -8.885 2.674 365 HG13 VAL 51 HG13 VAL 51 9.410 -8.342 1.080 366 HG21 VAL 51 HG21 VAL 51 7.754 -7.813 -0.660 367 HG22 VAL 51 HG22 VAL 51 6.030 -7.999 -0.338 368 HG23 VAL 51 HG23 VAL 51 7.051 -9.424 -0.520 369 H GLU 52 HN GLU 52 6.868 -11.352 3.257 370 HA GLU 52 HA GLU 52 7.400 -9.993 5.812 371 HB2 GLU 52 HB2 GLU 52 6.648 -12.886 5.331 372 HB3 GLU 52 HB1 GLU 52 6.996 -12.169 6.900 373 HG2 GLU 52 HG2 GLU 52 5.082 -10.629 6.556 374 HG3 GLU 52 HG1 GLU 52 4.705 -11.495 5.070 375 H GLU 53 HN GLU 53 9.489 -9.700 6.110 376 HA GLU 53 HA GLU 53 11.445 -11.323 4.740 377 HB2 GLU 53 HB2 GLU 53 11.760 -9.079 6.742 378 HB3 GLU 53 HB1 GLU 53 13.104 -9.899 5.960 379 HG2 GLU 53 HG2 GLU 53 12.192 -9.172 3.765 380 HG3 GLU 53 HG1 GLU 53 10.978 -8.235 4.633 381 H GLY 54 HN GLY 54 12.354 -13.093 5.483 382 HA2 GLY 54 HA2 GLY 54 11.870 -13.908 8.240 383 HA3 GLY 54 HA1 GLY 54 12.575 -14.897 6.966 384 H GLN 55 HN GLN 55 14.307 -15.557 8.219 385 HA GLN 55 HA GLN 55 16.098 -13.681 9.431 386 HB2 GLN 55 HB2 GLN 55 16.515 -16.603 8.738 387 HB3 GLN 55 HB1 GLN 55 17.573 -15.636 9.754 388 HG2 GLN 55 HG2 GLN 55 16.228 -16.984 11.177 389 HG3 GLN 55 HG1 GLN 55 15.669 -15.320 11.329 390 HE21 GLN 55 HE21 GLN 55 13.634 -15.851 12.029 391 HE22 GLN 55 HE22 GLN 55 12.451 -16.603 11.014 392 H ARG 56 HN ARG 56 16.695 -12.229 7.879 393 HA ARG 56 HA ARG 56 17.514 -11.337 5.969 394 HB2 ARG 56 HB2 ARG 56 19.433 -13.646 6.267 395 HB3 ARG 56 HB1 ARG 56 19.639 -12.345 5.102 396 HG2 ARG 56 HG2 ARG 56 19.599 -10.750 7.049 397 HG3 ARG 56 HG1 ARG 56 19.694 -12.165 8.101 398 HD2 ARG 56 HD2 ARG 56 21.686 -11.391 5.973 399 HD3 ARG 56 HD1 ARG 56 21.906 -11.218 7.713 400 HE ARG 56 HE ARG 56 21.586 -13.771 7.694 401 HH11 ARG 56 HH11 ARG 56 23.120 -11.923 5.139 402 HH12 ARG 56 HH12 ARG 56 24.177 -13.220 4.663 403 HH21 ARG 56 HH21 ARG 56 22.930 -15.491 7.046 404 HH22 ARG 56 HH22 ARG 56 24.064 -15.257 5.746 405 H GLY 57 HN GLY 57 15.603 -11.768 4.796 406 HA2 GLY 57 HA2 GLY 57 15.847 -12.812 2.299 407 HA3 GLY 57 HA1 GLY 57 15.356 -14.197 3.263 408 HA PRO 58 HA PRO 58 11.719 -11.059 2.953 409 HB2 PRO 58 HB2 PRO 58 11.987 -9.834 0.364 410 HB3 PRO 58 HB1 PRO 58 12.015 -9.054 1.946 411 HG2 PRO 58 HG2 PRO 58 14.181 -9.227 0.256 412 HG3 PRO 58 HG1 PRO 58 14.291 -8.999 2.009 413 HD2 PRO 58 HD2 PRO 58 14.630 -11.493 0.394 414 HD3 PRO 58 HD1 PRO 58 15.520 -10.947 1.832 415 H GLN 59 HN GLN 59 10.242 -12.674 2.630 416 HA GLN 59 HA GLN 59 9.987 -13.656 -0.130 417 HB2 GLN 59 HB2 GLN 59 8.946 -15.672 0.744 418 HB3 GLN 59 HB1 GLN 59 10.539 -15.444 1.446 419 HG2 GLN 59 HG2 GLN 59 9.593 -14.711 3.517 420 HG3 GLN 59 HG1 GLN 59 7.972 -14.694 2.819 421 HE21 GLN 59 HE21 GLN 59 10.572 -16.702 3.980 422 HE22 GLN 59 HE22 GLN 59 9.668 -18.172 4.070 423 H ALA 60 HN ALA 60 7.913 -13.938 -0.984 424 HA ALA 60 HA ALA 60 6.131 -11.819 -0.132 425 HB1 ALA 60 HB1 ALA 60 4.998 -12.174 -2.239 426 HB2 ALA 60 HB2 ALA 60 5.945 -13.632 -2.531 427 HB3 ALA 60 HB3 ALA 60 6.738 -12.057 -2.500 428 H ALA 61 HN ALA 61 4.208 -12.040 0.762 429 HA ALA 61 HA ALA 61 2.933 -14.681 0.871 430 HB1 ALA 61 HB1 ALA 61 4.083 -14.370 3.009 431 HB2 ALA 61 HB2 ALA 61 2.333 -14.322 3.226 432 HB3 ALA 61 HB3 ALA 61 3.264 -12.823 3.236 433 H ASN 62 HN ASN 62 0.646 -14.572 0.939 434 HA ASN 62 HA ASN 62 -1.361 -13.755 0.211 435 HB2 ASN 62 HB2 ASN 62 -0.472 -11.061 1.248 436 HB3 ASN 62 HB1 ASN 62 -2.118 -11.626 1.008 437 HD21 ASN 62 HD21 ASN 62 -0.539 -10.599 3.294 438 HD22 ASN 62 HD22 ASN 62 -0.828 -11.730 4.577 439 H VAL 63 HN VAL 63 -0.707 -14.020 -1.999 440 HA VAL 63 HA VAL 63 0.316 -11.595 -3.263 441 HB VAL 63 HB VAL 63 0.055 -14.370 -4.445 442 HG11 VAL 63 HG11 VAL 63 1.487 -11.922 -5.480 443 HG12 VAL 63 HG12 VAL 63 0.010 -12.624 -6.145 444 HG13 VAL 63 HG13 VAL 63 1.524 -13.526 -6.211 445 HG21 VAL 63 HG21 VAL 63 2.482 -14.517 -4.172 446 HG22 VAL 63 HG22 VAL 63 1.672 -14.319 -2.617 447 HG23 VAL 63 HG23 VAL 63 2.490 -12.948 -3.367 448 H GLN 64 HN GLN 64 -0.950 -10.311 -4.392 449 HA GLN 64 HA GLN 64 -3.528 -11.341 -5.393 450 HB2 GLN 64 HB2 GLN 64 -3.835 -9.850 -3.469 451 HB3 GLN 64 HB1 GLN 64 -2.868 -8.613 -4.254 452 HG2 GLN 64 HG2 GLN 64 -4.568 -8.473 -6.038 453 HG3 GLN 64 HG1 GLN 64 -5.555 -9.630 -5.141 454 HE21 GLN 64 HE21 GLN 64 -6.535 -8.996 -3.226 455 HE22 GLN 64 HE22 GLN 64 -6.683 -7.329 -2.771 456 H LYS 65 HN LYS 65 -4.222 -10.464 -7.422 457 HA LYS 65 HA LYS 65 -2.011 -9.731 -9.125 458 HB2 LYS 65 HB2 LYS 65 -3.720 -11.418 -9.807 459 HB3 LYS 65 HB1 LYS 65 -4.919 -10.132 -9.845 460 HG2 LYS 65 HG2 LYS 65 -3.964 -10.744 -12.064 461 HG3 LYS 65 HG1 LYS 65 -3.804 -9.036 -11.636 462 HD2 LYS 65 HD2 LYS 65 -1.517 -9.384 -10.954 463 HD3 LYS 65 HD1 LYS 65 -1.663 -11.115 -11.254 464 HE2 LYS 65 HE2 LYS 65 -0.486 -9.957 -13.070 465 HE3 LYS 65 HE1 LYS 65 -1.988 -10.695 -13.625 466 HZ1 LYS 65 HZ1 LYS 65 -3.049 -8.617 -13.732 467 HZ2 LYS 65 HZ2 LYS 65 -1.516 -8.355 -14.415 468 HZ3 LYS 65 HZ3 LYS 65 -1.838 -7.839 -12.835 469 H ALA 66 HN ALA 66 -1.637 -7.780 -9.996 470 HA ALA 66 HA ALA 66 -3.284 -5.544 -9.172 471 HB1 ALA 66 HB1 ALA 66 -0.836 -5.347 -9.118 472 HB2 ALA 66 HB2 ALA 66 -1.570 -4.154 -10.189 473 HB3 ALA 66 HB3 ALA 66 -0.787 -5.584 -10.863 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 2.690 -1.127 1.631 2 H2 MET 1 HT2 MET 1 2.536 -2.775 1.976 3 H3 MET 1 HT3 MET 1 1.255 -1.720 2.315 4 HA MET 1 HA MET 1 0.771 -2.978 0.342 5 HB2 MET 1 HB2 MET 1 0.195 -0.485 0.591 6 HB3 MET 1 HB1 MET 1 1.537 -0.178 -0.497 7 HG2 MET 1 HG2 MET 1 -0.790 -1.946 -1.195 8 HG3 MET 1 HG1 MET 1 -0.745 -0.221 -1.533 9 HE1 MET 1 HE1 MET 1 -1.088 -0.382 -4.076 10 HE2 MET 1 HE2 MET 1 -1.365 -2.114 -3.870 11 HE3 MET 1 HE3 MET 1 -0.260 -1.541 -5.120 12 H GLU 2 HN GLU 2 2.078 -4.496 -0.543 13 HA GLU 2 HA GLU 2 4.621 -3.592 -1.689 14 HB2 GLU 2 HB2 GLU 2 3.666 -6.206 -0.582 15 HB3 GLU 2 HB1 GLU 2 4.999 -6.185 -1.724 16 HG2 GLU 2 HG2 GLU 2 5.653 -6.223 0.685 17 HG3 GLU 2 HG1 GLU 2 6.352 -4.912 -0.260 18 H GLN 3 HN GLN 3 3.787 -2.813 -3.659 19 HA GLN 3 HA GLN 3 2.884 -4.954 -5.465 20 HB2 GLN 3 HB2 GLN 3 1.303 -3.071 -5.285 21 HB3 GLN 3 HB1 GLN 3 2.569 -1.962 -5.800 22 HG2 GLN 3 HG2 GLN 3 2.667 -2.976 -7.963 23 HG3 GLN 3 HG1 GLN 3 1.576 -4.265 -7.461 24 HE21 GLN 3 HE21 GLN 3 -0.610 -3.830 -7.229 25 HE22 GLN 3 HE22 GLN 3 -1.347 -2.427 -7.939 26 H GLY 4 HN GLY 4 4.175 -5.563 -7.080 27 HA2 GLY 4 HA2 GLY 4 6.271 -3.783 -8.035 28 HA3 GLY 4 HA1 GLY 4 6.823 -5.233 -7.208 29 H THR 5 HN THR 5 7.734 -5.104 -9.611 30 HA THR 5 HA THR 5 5.887 -6.387 -11.474 31 HB THR 5 HB THR 5 8.681 -5.302 -11.889 32 HG1 THR 5 HG1 THR 5 6.093 -4.287 -12.528 33 HG21 THR 5 HG21 THR 5 6.670 -6.284 -13.916 34 HG22 THR 5 HG22 THR 5 8.149 -7.123 -13.450 35 HG23 THR 5 HG23 THR 5 8.241 -5.567 -14.273 36 H VAL 6 HN VAL 6 5.995 -8.485 -11.964 37 HA VAL 6 HA VAL 6 7.636 -10.249 -10.458 38 HB VAL 6 HB VAL 6 6.014 -10.858 -12.938 39 HG11 VAL 6 HG11 VAL 6 7.080 -12.674 -10.777 40 HG12 VAL 6 HG12 VAL 6 7.631 -12.602 -12.451 41 HG13 VAL 6 HG13 VAL 6 6.000 -13.166 -12.081 42 HG21 VAL 6 HG21 VAL 6 5.228 -11.036 -10.032 43 HG22 VAL 6 HG22 VAL 6 4.256 -11.578 -11.397 44 HG23 VAL 6 HG23 VAL 6 4.624 -9.866 -11.202 45 H LYS 7 HN LYS 7 9.740 -10.399 -10.777 46 HA LYS 7 HA LYS 7 11.103 -9.781 -13.165 47 HB2 LYS 7 HB2 LYS 7 12.155 -9.773 -10.914 48 HB3 LYS 7 HB1 LYS 7 12.013 -11.524 -10.861 49 HG2 LYS 7 HG2 LYS 7 14.258 -10.972 -11.434 50 HG3 LYS 7 HG1 LYS 7 13.480 -11.643 -12.868 51 HD2 LYS 7 HD2 LYS 7 14.815 -9.708 -13.468 52 HD3 LYS 7 HD1 LYS 7 13.102 -9.361 -13.707 53 HE2 LYS 7 HE2 LYS 7 13.031 -8.147 -11.604 54 HE3 LYS 7 HE1 LYS 7 14.720 -8.548 -11.295 55 HZ1 LYS 7 HZ1 LYS 7 15.350 -7.277 -13.240 56 HZ2 LYS 7 HZ2 LYS 7 14.470 -6.303 -12.168 57 HZ3 LYS 7 HZ3 LYS 7 13.727 -6.910 -13.568 58 H TRP 8 HN TRP 8 10.513 -12.914 -11.599 59 HA TRP 8 HA TRP 8 9.398 -14.196 -13.786 60 HB2 TRP 8 HB2 TRP 8 11.947 -13.872 -14.501 61 HB3 TRP 8 HB1 TRP 8 12.159 -15.309 -13.499 62 HD1 TRP 8 HD1 TRP 8 9.853 -14.197 -16.406 63 HE1 TRP 8 HE1 TRP 8 9.452 -16.214 -17.946 64 HE3 TRP 8 HE3 TRP 8 12.497 -17.714 -13.808 65 HZ2 TRP 8 HZ2 TRP 8 10.174 -18.948 -18.042 66 HZ3 TRP 8 HZ3 TRP 8 12.595 -20.007 -14.694 67 HH2 TRP 8 HH2 TRP 8 11.457 -20.608 -16.766 68 H PHE 9 HN PHE 9 9.331 -16.630 -13.402 69 HA PHE 9 HA PHE 9 9.803 -17.228 -10.568 70 HB2 PHE 9 HB2 PHE 9 7.778 -18.611 -10.532 71 HB3 PHE 9 HB1 PHE 9 7.398 -16.944 -10.931 72 HD1 PHE 9 HD1 PHE 9 7.344 -16.484 -13.575 73 HD2 PHE 9 HD2 PHE 9 6.731 -20.258 -11.707 74 HE1 PHE 9 HE1 PHE 9 6.109 -17.261 -15.553 75 HE2 PHE 9 HE2 PHE 9 5.498 -21.040 -13.685 76 HZ PHE 9 HZ PHE 9 5.187 -19.542 -15.611 77 H ASN 10 HN ASN 10 11.637 -18.346 -10.736 78 HA ASN 10 HA ASN 10 12.242 -20.047 -12.922 79 HB2 ASN 10 HB2 ASN 10 14.204 -20.728 -11.449 80 HB3 ASN 10 HB1 ASN 10 14.085 -19.023 -11.866 81 HD21 ASN 10 HD21 ASN 10 14.090 -21.338 -9.346 82 HD22 ASN 10 HD22 ASN 10 13.945 -20.233 -8.029 83 H ALA 11 HN ALA 11 10.493 -21.458 -13.020 84 HA ALA 11 HA ALA 11 9.610 -23.147 -10.974 85 HB1 ALA 11 HB1 ALA 11 8.557 -24.458 -12.761 86 HB2 ALA 11 HB2 ALA 11 9.503 -23.571 -13.958 87 HB3 ALA 11 HB3 ALA 11 8.305 -22.726 -12.977 88 H GLU 12 HN GLU 12 12.379 -23.351 -13.018 89 HA GLU 12 HA GLU 12 12.980 -26.071 -12.912 90 HB2 GLU 12 HB2 GLU 12 14.203 -24.478 -14.310 91 HB3 GLU 12 HB1 GLU 12 14.855 -23.696 -12.877 92 HG2 GLU 12 HG2 GLU 12 16.036 -25.749 -12.295 93 HG3 GLU 12 HG1 GLU 12 15.385 -26.524 -13.740 94 H LYS 13 HN LYS 13 13.605 -23.485 -10.591 95 HA LYS 13 HA LYS 13 14.616 -25.463 -8.670 96 HB2 LYS 13 HB2 LYS 13 14.654 -22.438 -8.590 97 HB3 LYS 13 HB1 LYS 13 15.268 -23.475 -7.312 98 HG2 LYS 13 HG2 LYS 13 16.990 -24.325 -8.736 99 HG3 LYS 13 HG1 LYS 13 16.309 -23.495 -10.136 100 HD2 LYS 13 HD2 LYS 13 18.223 -22.268 -9.308 101 HD3 LYS 13 HD1 LYS 13 16.753 -21.332 -9.040 102 HE2 LYS 13 HE2 LYS 13 18.108 -21.159 -7.077 103 HE3 LYS 13 HE1 LYS 13 16.726 -22.184 -6.693 104 HZ1 LYS 13 HZ1 LYS 13 18.822 -23.058 -5.818 105 HZ2 LYS 13 HZ2 LYS 13 19.441 -23.172 -7.395 106 HZ3 LYS 13 HZ3 LYS 13 18.114 -24.127 -6.929 107 H GLY 14 HN GLY 14 11.832 -23.864 -9.567 108 HA2 GLY 14 HA2 GLY 14 9.710 -23.984 -8.685 109 HA3 GLY 14 HA1 GLY 14 10.370 -24.882 -7.326 110 H PHE 15 HN PHE 15 11.142 -21.610 -8.511 111 HA PHE 15 HA PHE 15 10.040 -20.494 -6.035 112 HB2 PHE 15 HB2 PHE 15 12.872 -19.980 -6.974 113 HB3 PHE 15 HB1 PHE 15 12.075 -19.150 -5.646 114 HD1 PHE 15 HD1 PHE 15 11.010 -20.910 -3.870 115 HD2 PHE 15 HD2 PHE 15 14.373 -21.588 -6.387 116 HE1 PHE 15 HE1 PHE 15 11.834 -22.620 -2.303 117 HE2 PHE 15 HE2 PHE 15 15.200 -23.304 -4.829 118 HZ PHE 15 HZ PHE 15 13.930 -23.822 -2.783 119 H GLY 16 HN GLY 16 10.469 -17.945 -6.181 120 HA2 GLY 16 HA2 GLY 16 10.329 -17.029 -8.958 121 HA3 GLY 16 HA1 GLY 16 8.966 -16.665 -7.909 122 H PHE 17 HN PHE 17 10.490 -14.701 -9.173 123 HA PHE 17 HA PHE 17 11.522 -13.302 -6.808 124 HB2 PHE 17 HB2 PHE 17 12.871 -13.515 -9.498 125 HB3 PHE 17 HB1 PHE 17 13.234 -12.217 -8.368 126 HD1 PHE 17 HD2 PHE 17 14.287 -12.727 -6.199 127 HD2 PHE 17 HD1 PHE 17 13.731 -15.712 -9.182 128 HE1 PHE 17 HE2 PHE 17 15.933 -14.161 -5.069 129 HE2 PHE 17 HE1 PHE 17 15.379 -17.149 -8.053 130 HZ PHE 17 HZ PHE 17 16.482 -16.373 -5.996 131 H ILE 18 HN ILE 18 10.911 -11.225 -6.635 132 HA ILE 18 HA ILE 18 9.560 -9.965 -8.934 133 HB ILE 18 HB ILE 18 8.678 -9.934 -6.038 134 HG12 ILE 18 HG12 ILE 18 7.256 -10.809 -8.562 135 HG13 ILE 18 HG11 ILE 18 7.970 -11.885 -7.367 136 HG21 ILE 18 HG21 ILE 18 8.489 -7.677 -6.965 137 HG22 ILE 18 HG22 ILE 18 6.902 -8.395 -6.689 138 HG23 ILE 18 HG23 ILE 18 7.561 -8.311 -8.324 139 HD11 ILE 18 HD11 ILE 18 5.562 -11.739 -7.109 140 HD12 ILE 18 HD12 ILE 18 5.682 -9.993 -6.885 141 HD13 ILE 18 HD13 ILE 18 6.393 -11.087 -5.697 142 H GLU 19 HN GLU 19 9.841 -7.703 -9.116 143 HA GLU 19 HA GLU 19 11.963 -6.594 -7.394 144 HB2 GLU 19 HB2 GLU 19 12.762 -7.062 -9.672 145 HB3 GLU 19 HB1 GLU 19 11.468 -6.071 -10.332 146 HG2 GLU 19 HG2 GLU 19 12.423 -4.112 -9.185 147 HG3 GLU 19 HG1 GLU 19 13.749 -5.123 -8.613 148 H ARG 20 HN ARG 20 11.533 -4.704 -6.404 149 HA ARG 20 HA ARG 20 9.182 -3.183 -7.323 150 HB2 ARG 20 HB2 ARG 20 10.213 -3.633 -4.529 151 HB3 ARG 20 HB1 ARG 20 9.096 -2.340 -4.925 152 HG2 ARG 20 HG2 ARG 20 7.525 -4.093 -5.781 153 HG3 ARG 20 HG1 ARG 20 8.621 -5.299 -5.097 154 HD2 ARG 20 HD2 ARG 20 6.781 -4.745 -3.562 155 HD3 ARG 20 HD1 ARG 20 8.357 -4.328 -2.889 156 HE ARG 20 HE ARG 20 7.214 -2.097 -4.238 157 HH11 ARG 20 HH11 ARG 20 7.081 -3.902 -1.256 158 HH12 ARG 20 HH12 ARG 20 6.318 -2.632 -0.350 159 HH21 ARG 20 HH21 ARG 20 6.256 -0.377 -3.048 160 HH22 ARG 20 HH22 ARG 20 5.858 -0.625 -1.376 161 H GLU 21 HN GLU 21 9.249 -0.915 -6.999 162 HA GLU 21 HA GLU 21 11.687 0.411 -7.495 163 HB2 GLU 21 HB2 GLU 21 9.545 1.374 -8.123 164 HB3 GLU 21 HB1 GLU 21 9.025 1.401 -6.446 165 HG2 GLU 21 HG2 GLU 21 10.875 3.015 -5.986 166 HG3 GLU 21 HG1 GLU 21 11.161 3.084 -7.726 167 H ASN 22 HN ASN 22 9.760 -0.076 -4.574 168 HA ASN 22 HA ASN 22 11.778 1.272 -2.943 169 HB2 ASN 22 HB2 ASN 22 9.353 1.839 -2.698 170 HB3 ASN 22 HB1 ASN 22 9.064 0.196 -2.136 171 HD21 ASN 22 HD21 ASN 22 8.332 0.849 -0.128 172 HD22 ASN 22 HD22 ASN 22 9.375 1.516 1.077 173 H GLY 23 HN GLY 23 11.958 -1.554 -4.159 174 HA2 GLY 23 HA2 GLY 23 13.401 -2.720 -2.059 175 HA3 GLY 23 HA1 GLY 23 11.793 -3.425 -2.060 176 H ASP 24 HN ASP 24 14.885 -3.513 -3.400 177 HA ASP 24 HA ASP 24 14.075 -5.116 -5.695 178 HB2 ASP 24 HB2 ASP 24 16.458 -5.156 -6.278 179 HB3 ASP 24 HB1 ASP 24 15.911 -3.508 -6.006 180 H ASP 25 HN ASP 25 14.896 -7.234 -6.027 181 HA ASP 25 HA ASP 25 15.258 -9.390 -5.495 182 HB2 ASP 25 HB2 ASP 25 17.406 -8.376 -4.592 183 HB3 ASP 25 HB1 ASP 25 16.668 -8.460 -2.995 184 H VAL 26 HN VAL 26 12.893 -9.308 -5.157 185 HA VAL 26 HA VAL 26 12.193 -9.969 -2.376 186 HB VAL 26 HB VAL 26 10.339 -9.340 -4.687 187 HG11 VAL 26 HG11 VAL 26 8.584 -9.253 -2.988 188 HG12 VAL 26 HG12 VAL 26 9.752 -9.717 -1.750 189 HG13 VAL 26 HG13 VAL 26 9.342 -10.844 -3.043 190 HG21 VAL 26 HG21 VAL 26 11.618 -7.376 -3.974 191 HG22 VAL 26 HG22 VAL 26 11.086 -7.632 -2.312 192 HG23 VAL 26 HG23 VAL 26 9.910 -7.223 -3.562 193 H PHE 27 HN PHE 27 12.045 -12.048 -1.908 194 HA PHE 27 HA PHE 27 12.187 -14.009 -4.035 195 HB2 PHE 27 HB2 PHE 27 13.540 -14.024 -1.856 196 HB3 PHE 27 HB1 PHE 27 12.059 -14.552 -1.069 197 HD1 PHE 27 HD1 PHE 27 14.416 -15.438 -3.788 198 HD2 PHE 27 HD2 PHE 27 11.510 -16.807 -0.998 199 HE1 PHE 27 HE1 PHE 27 14.973 -17.765 -4.359 200 HE2 PHE 27 HE2 PHE 27 12.059 -19.136 -1.565 201 HZ PHE 27 HZ PHE 27 13.794 -19.619 -3.246 202 H VAL 28 HN VAL 28 10.616 -15.530 -4.529 203 HA VAL 28 HA VAL 28 8.018 -15.129 -3.185 204 HB VAL 28 HB VAL 28 8.454 -15.857 -6.086 205 HG11 VAL 28 HG11 VAL 28 5.926 -15.231 -4.561 206 HG12 VAL 28 HG12 VAL 28 6.403 -16.808 -5.189 207 HG13 VAL 28 HG13 VAL 28 6.033 -15.491 -6.302 208 HG21 VAL 28 HG21 VAL 28 9.089 -13.545 -5.628 209 HG22 VAL 28 HG22 VAL 28 7.526 -13.263 -4.862 210 HG23 VAL 28 HG23 VAL 28 7.612 -13.620 -6.587 211 H HIS 29 HN HIS 29 7.052 -16.838 -2.360 212 HA HIS 29 HA HIS 29 7.988 -19.528 -3.114 213 HB2 HIS 29 HB2 HIS 29 6.885 -18.420 -0.547 214 HB3 HIS 29 HB1 HIS 29 6.693 -20.131 -0.912 215 HD1 HIS 29 HD1 HIS 29 8.526 -18.587 1.339 216 HD2 HIS 29 HD2 HIS 29 9.742 -20.684 -2.040 217 HE1 HIS 29 HE1 HIS 29 10.890 -19.305 1.802 218 HE2 HIS 29 HE2 HIS 29 11.521 -20.759 -0.156 219 H PHE 30 HN PHE 30 6.462 -21.089 -3.674 220 HA PHE 30 HA PHE 30 3.972 -20.156 -4.722 221 HB2 PHE 30 HB2 PHE 30 5.132 -22.926 -4.382 222 HB3 PHE 30 HB1 PHE 30 3.542 -22.643 -5.080 223 HD1 PHE 30 HD2 PHE 30 3.303 -21.566 -7.243 224 HD2 PHE 30 HD1 PHE 30 7.137 -22.398 -5.597 225 HE1 PHE 30 HE2 PHE 30 4.323 -21.219 -9.453 226 HE2 PHE 30 HE1 PHE 30 8.164 -22.052 -7.805 227 HZ PHE 30 HZ PHE 30 6.757 -21.463 -9.738 228 H SER 31 HN SER 31 4.999 -20.995 -1.671 229 HA SER 31 HA SER 31 2.597 -22.116 -0.616 230 HB2 SER 31 HB2 SER 31 4.702 -20.694 1.001 231 HB3 SER 31 HB1 SER 31 3.730 -22.098 1.446 232 HG SER 31 HG SER 31 5.149 -23.363 0.535 233 H ALA 32 HN ALA 32 3.296 -19.057 -1.715 234 HA ALA 32 HA ALA 32 1.353 -17.841 0.142 235 HB1 ALA 32 HB1 ALA 32 3.602 -16.952 0.466 236 HB2 ALA 32 HB2 ALA 32 2.500 -15.718 -0.144 237 HB3 ALA 32 HB3 ALA 32 3.661 -16.479 -1.231 238 H ILE 33 HN ILE 33 1.751 -18.880 -2.960 239 HA ILE 33 HA ILE 33 0.336 -16.692 -4.245 240 HB ILE 33 HB ILE 33 2.139 -17.965 -5.447 241 HG12 ILE 33 HG12 ILE 33 0.902 -18.162 -7.586 242 HG13 ILE 33 HG11 ILE 33 -0.612 -18.029 -6.702 243 HG21 ILE 33 HG21 ILE 33 0.092 -20.172 -5.518 244 HG22 ILE 33 HG22 ILE 33 1.609 -20.198 -4.623 245 HG23 ILE 33 HG23 ILE 33 1.627 -20.153 -6.385 246 HD11 ILE 33 HD11 ILE 33 0.013 -15.789 -5.969 247 HD12 ILE 33 HD12 ILE 33 -0.014 -15.920 -7.727 248 HD13 ILE 33 HD13 ILE 33 1.526 -15.921 -6.865 249 H GLN 34 HN GLN 34 -1.746 -16.891 -5.143 250 HA GLN 34 HA GLN 34 -3.437 -18.807 -3.730 251 HB2 GLN 34 HB2 GLN 34 -5.305 -17.374 -4.594 252 HB3 GLN 34 HB1 GLN 34 -4.178 -16.535 -3.537 253 HG2 GLN 34 HG2 GLN 34 -3.100 -15.508 -5.431 254 HG3 GLN 34 HG1 GLN 34 -4.116 -16.425 -6.540 255 HE21 GLN 34 HE21 GLN 34 -3.752 -13.536 -6.144 256 HE22 GLN 34 HE22 GLN 34 -5.345 -12.907 -5.891 257 H GLY 35 HN GLY 35 -5.086 -19.970 -4.872 258 HA2 GLY 35 HA2 GLY 35 -4.309 -20.569 -7.653 259 HA3 GLY 35 HA1 GLY 35 -5.115 -21.695 -6.567 260 H ASP 36 HN ASP 36 -6.892 -22.094 -7.787 261 HA ASP 36 HA ASP 36 -9.084 -21.867 -8.315 262 HB2 ASP 36 HB2 ASP 36 -8.779 -19.154 -7.028 263 HB3 ASP 36 HB1 ASP 36 -10.298 -19.723 -7.712 264 H GLY 37 HN GLY 37 -7.218 -18.951 -9.092 265 HA2 GLY 37 HA2 GLY 37 -8.219 -19.195 -11.855 266 HA3 GLY 37 HA1 GLY 37 -8.229 -17.635 -11.043 267 H PHE 38 HN PHE 38 -6.176 -16.710 -10.419 268 HA PHE 38 HA PHE 38 -4.153 -17.331 -12.423 269 HB2 PHE 38 HB2 PHE 38 -4.456 -14.955 -10.578 270 HB3 PHE 38 HB1 PHE 38 -3.153 -15.151 -11.743 271 HD1 PHE 38 HD1 PHE 38 -3.616 -15.053 -14.146 272 HD2 PHE 38 HD2 PHE 38 -6.638 -14.281 -11.254 273 HE1 PHE 38 HE1 PHE 38 -4.997 -13.989 -15.879 274 HE2 PHE 38 HE2 PHE 38 -8.027 -13.214 -12.981 275 HZ PHE 38 HZ PHE 38 -7.206 -13.068 -15.299 276 H LYS 39 HN LYS 39 -3.150 -19.128 -11.571 277 HA LYS 39 HA LYS 39 -1.790 -18.774 -8.994 278 HB2 LYS 39 HB2 LYS 39 -1.314 -21.279 -9.272 279 HB3 LYS 39 HB1 LYS 39 -2.961 -20.797 -8.909 280 HG2 LYS 39 HG2 LYS 39 -3.116 -22.487 -10.533 281 HG3 LYS 39 HG1 LYS 39 -3.434 -20.977 -11.381 282 HD2 LYS 39 HD2 LYS 39 -1.993 -22.393 -12.711 283 HD3 LYS 39 HD1 LYS 39 -1.107 -20.963 -12.182 284 HE2 LYS 39 HE2 LYS 39 0.289 -22.922 -11.972 285 HE3 LYS 39 HE1 LYS 39 -0.096 -22.291 -10.372 286 HZ1 LYS 39 HZ1 LYS 39 -1.452 -24.591 -11.681 287 HZ2 LYS 39 HZ2 LYS 39 -1.764 -24.007 -10.119 288 HZ3 LYS 39 HZ3 LYS 39 -0.266 -24.707 -10.477 289 H SER 40 HN SER 40 -1.274 -18.479 -12.252 290 HA SER 40 HA SER 40 1.626 -18.851 -11.921 291 HB2 SER 40 HB2 SER 40 0.561 -20.295 -13.667 292 HB3 SER 40 HB1 SER 40 0.053 -18.835 -14.512 293 HG SER 40 HG SER 40 1.976 -18.697 -15.330 294 H LEU 41 HN LEU 41 2.952 -17.136 -12.327 295 HA LEU 41 HA LEU 41 1.587 -14.574 -12.806 296 HB2 LEU 41 HB2 LEU 41 4.212 -15.139 -11.422 297 HB3 LEU 41 HB1 LEU 41 3.535 -13.543 -11.680 298 HG LEU 41 HG LEU 41 2.319 -15.717 -9.973 299 HD11 LEU 41 HD11 LEU 41 2.883 -14.268 -8.102 300 HD12 LEU 41 HD12 LEU 41 3.635 -13.115 -9.204 301 HD13 LEU 41 HD13 LEU 41 4.335 -14.720 -9.000 302 HD21 LEU 41 HD21 LEU 41 0.721 -13.997 -9.287 303 HD22 LEU 41 HD22 LEU 41 0.608 -14.325 -11.015 304 HD23 LEU 41 HD23 LEU 41 1.429 -12.872 -10.444 305 H ASP 42 HN ASP 42 2.094 -13.396 -14.533 306 HA ASP 42 HA ASP 42 3.918 -14.546 -16.458 307 HB2 ASP 42 HB2 ASP 42 2.037 -12.187 -16.626 308 HB3 ASP 42 HB1 ASP 42 3.020 -12.766 -17.967 309 H GLU 43 HN GLU 43 5.780 -13.711 -17.153 310 HA GLU 43 HA GLU 43 7.291 -12.077 -15.460 311 HB2 GLU 43 HB2 GLU 43 8.884 -12.018 -17.461 312 HB3 GLU 43 HB1 GLU 43 8.488 -13.594 -16.791 313 HG2 GLU 43 HG2 GLU 43 6.831 -13.909 -18.586 314 HG3 GLU 43 HG1 GLU 43 7.305 -12.357 -19.269 315 H GLY 44 HN GLY 44 7.419 -9.962 -15.234 316 HA2 GLY 44 HA2 GLY 44 7.788 -7.786 -16.082 317 HA3 GLY 44 HA1 GLY 44 6.972 -8.249 -17.566 318 H GLN 45 HN GLN 45 4.896 -9.443 -15.430 319 HA GLN 45 HA GLN 45 3.258 -7.045 -15.573 320 HB2 GLN 45 HB2 GLN 45 1.411 -8.380 -15.198 321 HB3 GLN 45 HB1 GLN 45 2.487 -9.499 -16.024 322 HG2 GLN 45 HG2 GLN 45 3.131 -10.472 -13.890 323 HG3 GLN 45 HG1 GLN 45 2.092 -9.325 -13.044 324 HE21 GLN 45 HE21 GLN 45 1.966 -12.174 -12.964 325 HE22 GLN 45 HE22 GLN 45 0.409 -12.642 -13.577 326 H ALA 46 HN ALA 46 2.108 -6.216 -13.704 327 HA ALA 46 HA ALA 46 3.791 -6.298 -11.309 328 HB1 ALA 46 HB1 ALA 46 1.514 -4.430 -11.964 329 HB2 ALA 46 HB2 ALA 46 3.217 -4.102 -12.289 330 HB3 ALA 46 HB3 ALA 46 2.655 -4.278 -10.626 331 H VAL 47 HN VAL 47 3.052 -6.960 -9.337 332 HA VAL 47 HA VAL 47 0.237 -7.753 -9.099 333 HB VAL 47 HB VAL 47 0.915 -9.746 -7.771 334 HG11 VAL 47 HG11 VAL 47 1.916 -9.714 -10.614 335 HG12 VAL 47 HG12 VAL 47 0.256 -10.005 -10.095 336 HG13 VAL 47 HG13 VAL 47 1.525 -11.156 -9.676 337 HG21 VAL 47 HG21 VAL 47 3.675 -9.128 -8.824 338 HG22 VAL 47 HG22 VAL 47 3.205 -10.598 -7.968 339 HG23 VAL 47 HG23 VAL 47 3.157 -9.041 -7.139 340 H THR 48 HN THR 48 -0.536 -7.818 -6.905 341 HA THR 48 HA THR 48 0.992 -6.041 -5.120 342 HB THR 48 HB THR 48 -1.949 -6.688 -4.896 343 HG1 THR 48 HG1 THR 48 -2.201 -5.562 -6.667 344 HG21 THR 48 HG21 THR 48 -0.306 -4.347 -3.924 345 HG22 THR 48 HG22 THR 48 -0.887 -5.685 -2.932 346 HG23 THR 48 HG23 THR 48 -2.038 -4.575 -3.672 347 H PHE 49 HN PHE 49 1.593 -6.813 -3.121 348 HA PHE 49 HA PHE 49 0.278 -9.161 -2.059 349 HB2 PHE 49 HB2 PHE 49 2.437 -10.380 -1.734 350 HB3 PHE 49 HB1 PHE 49 1.938 -10.244 -3.415 351 HD1 PHE 49 HD2 PHE 49 3.164 -8.803 -4.955 352 HD2 PHE 49 HD1 PHE 49 4.414 -9.304 -0.919 353 HE1 PHE 49 HE2 PHE 49 5.369 -7.874 -5.530 354 HE2 PHE 49 HE1 PHE 49 6.623 -8.380 -1.484 355 HZ PHE 49 HZ PHE 49 7.104 -7.662 -3.792 356 H ASP 50 HN ASP 50 1.468 -9.820 0.058 357 HA ASP 50 HA ASP 50 2.062 -7.338 1.543 358 HB2 ASP 50 HB2 ASP 50 0.152 -8.576 2.414 359 HB3 ASP 50 HB1 ASP 50 1.117 -10.042 2.528 360 H VAL 51 HN VAL 51 3.943 -7.151 2.757 361 HA VAL 51 HA VAL 51 6.100 -8.814 1.802 362 HB VAL 51 HB VAL 51 6.429 -6.394 1.951 363 HG11 VAL 51 HG11 VAL 51 5.058 -5.912 3.898 364 HG12 VAL 51 HG12 VAL 51 6.689 -5.276 4.108 365 HG13 VAL 51 HG13 VAL 51 6.207 -6.759 4.934 366 HG21 VAL 51 HG21 VAL 51 8.607 -6.406 3.105 367 HG22 VAL 51 HG22 VAL 51 8.385 -7.804 2.054 368 HG23 VAL 51 HG23 VAL 51 8.207 -7.978 3.800 369 H GLU 52 HN GLU 52 7.129 -10.384 2.845 370 HA GLU 52 HA GLU 52 6.763 -10.651 5.748 371 HB2 GLU 52 HB2 GLU 52 5.268 -12.253 4.657 372 HB3 GLU 52 HB1 GLU 52 6.604 -12.879 3.703 373 HG2 GLU 52 HG2 GLU 52 7.665 -13.755 5.668 374 HG3 GLU 52 HG1 GLU 52 6.450 -13.005 6.704 375 H GLU 53 HN GLU 53 8.608 -11.219 6.848 376 HA GLU 53 HA GLU 53 11.072 -11.144 5.317 377 HB2 GLU 53 HB2 GLU 53 10.620 -11.324 8.301 378 HB3 GLU 53 HB1 GLU 53 12.176 -11.072 7.520 379 HG2 GLU 53 HG2 GLU 53 11.345 -8.958 6.587 380 HG3 GLU 53 HG1 GLU 53 9.810 -9.215 7.414 381 H GLY 54 HN GLY 54 12.212 -12.847 4.726 382 HA2 GLY 54 HA2 GLY 54 11.301 -15.477 5.669 383 HA3 GLY 54 HA1 GLY 54 12.091 -15.165 4.133 384 H GLN 55 HN GLN 55 13.686 -16.661 4.396 385 HA GLN 55 HA GLN 55 15.146 -17.073 6.767 386 HB2 GLN 55 HB2 GLN 55 15.872 -17.761 3.914 387 HB3 GLN 55 HB1 GLN 55 16.659 -18.407 5.347 388 HG2 GLN 55 HG2 GLN 55 14.609 -19.495 6.022 389 HG3 GLN 55 HG1 GLN 55 13.758 -18.792 4.646 390 HE21 GLN 55 HE21 GLN 55 16.102 -21.148 5.675 391 HE22 GLN 55 HE22 GLN 55 16.138 -22.056 4.195 392 H ARG 56 HN ARG 56 16.415 -15.792 3.684 393 HA ARG 56 HA ARG 56 18.274 -14.133 5.271 394 HB2 ARG 56 HB2 ARG 56 18.792 -15.558 2.657 395 HB3 ARG 56 HB1 ARG 56 19.904 -14.426 3.409 396 HG2 ARG 56 HG2 ARG 56 18.971 -16.957 4.740 397 HG3 ARG 56 HG1 ARG 56 20.421 -16.855 3.744 398 HD2 ARG 56 HD2 ARG 56 21.159 -16.625 5.967 399 HD3 ARG 56 HD1 ARG 56 21.188 -15.001 5.286 400 HE ARG 56 HE ARG 56 18.727 -15.540 6.631 401 HH11 ARG 56 HH11 ARG 56 22.090 -14.746 7.189 402 HH12 ARG 56 HH12 ARG 56 21.774 -13.895 8.672 403 HH21 ARG 56 HH21 ARG 56 18.308 -14.480 8.622 404 HH22 ARG 56 HH22 ARG 56 19.628 -13.752 9.491 405 H GLY 57 HN GLY 57 15.594 -13.734 3.724 406 HA2 GLY 57 HA2 GLY 57 16.169 -11.077 2.887 407 HA3 GLY 57 HA1 GLY 57 15.967 -12.136 1.499 408 HA PRO 58 HA PRO 58 11.774 -10.746 3.124 409 HB2 PRO 58 HB2 PRO 58 11.176 -8.815 1.344 410 HB3 PRO 58 HB1 PRO 58 12.071 -8.479 2.829 411 HG2 PRO 58 HG2 PRO 58 13.085 -8.811 0.039 412 HG3 PRO 58 HG1 PRO 58 13.586 -7.653 1.283 413 HD2 PRO 58 HD2 PRO 58 14.952 -9.960 0.680 414 HD3 PRO 58 HD1 PRO 58 15.027 -9.139 2.251 415 H GLN 59 HN GLN 59 10.110 -11.904 2.399 416 HA GLN 59 HA GLN 59 10.117 -12.701 -0.428 417 HB2 GLN 59 HB2 GLN 59 9.080 -14.826 0.252 418 HB3 GLN 59 HB1 GLN 59 10.676 -14.612 0.952 419 HG2 GLN 59 HG2 GLN 59 9.621 -13.925 3.071 420 HG3 GLN 59 HG1 GLN 59 8.039 -14.236 2.355 421 HE21 GLN 59 HE21 GLN 59 7.530 -15.840 3.850 422 HE22 GLN 59 HE22 GLN 59 8.302 -17.392 3.827 423 H ALA 60 HN ALA 60 7.982 -13.290 -1.271 424 HA ALA 60 HA ALA 60 6.048 -11.273 -0.480 425 HB1 ALA 60 HB1 ALA 60 6.662 -11.515 -2.842 426 HB2 ALA 60 HB2 ALA 60 4.941 -11.795 -2.580 427 HB3 ALA 60 HB3 ALA 60 6.029 -13.161 -2.832 428 H ALA 61 HN ALA 61 4.452 -11.730 0.872 429 HA ALA 61 HA ALA 61 3.352 -14.465 0.873 430 HB1 ALA 61 HB1 ALA 61 2.688 -14.100 3.193 431 HB2 ALA 61 HB2 ALA 61 3.408 -12.491 3.153 432 HB3 ALA 61 HB3 ALA 61 4.432 -13.920 3.002 433 H ASN 62 HN ASN 62 1.145 -14.680 0.683 434 HA ASN 62 HA ASN 62 -0.929 -14.160 -0.103 435 HB2 ASN 62 HB2 ASN 62 -0.583 -11.449 1.198 436 HB3 ASN 62 HB1 ASN 62 -2.092 -12.259 0.801 437 HD21 ASN 62 HD21 ASN 62 0.490 -11.960 3.047 438 HD22 ASN 62 HD22 ASN 62 -0.179 -12.973 4.283 439 H VAL 63 HN VAL 63 -0.327 -14.170 -2.268 440 HA VAL 63 HA VAL 63 0.428 -11.590 -3.455 441 HB VAL 63 HB VAL 63 0.448 -14.322 -4.750 442 HG11 VAL 63 HG11 VAL 63 0.254 -12.511 -6.355 443 HG12 VAL 63 HG12 VAL 63 1.869 -13.219 -6.438 444 HG13 VAL 63 HG13 VAL 63 1.620 -11.680 -5.613 445 HG21 VAL 63 HG21 VAL 63 2.896 -14.219 -4.473 446 HG22 VAL 63 HG22 VAL 63 2.049 -14.261 -2.926 447 HG23 VAL 63 HG23 VAL 63 2.708 -12.741 -3.530 448 H GLN 64 HN GLN 64 -1.194 -10.406 -4.101 449 HA GLN 64 HA GLN 64 -3.641 -11.610 -5.162 450 HB2 GLN 64 HB2 GLN 64 -3.882 -9.903 -3.412 451 HB3 GLN 64 HB1 GLN 64 -2.986 -8.753 -4.394 452 HG2 GLN 64 HG2 GLN 64 -4.757 -8.856 -6.094 453 HG3 GLN 64 HG1 GLN 64 -5.664 -9.956 -5.058 454 HE21 GLN 64 HE21 GLN 64 -4.593 -6.689 -5.542 455 HE22 GLN 64 HE22 GLN 64 -5.619 -5.967 -4.349 456 H LYS 65 HN LYS 65 -4.364 -11.195 -7.239 457 HA LYS 65 HA LYS 65 -2.344 -10.633 -9.178 458 HB2 LYS 65 HB2 LYS 65 -4.102 -12.335 -9.511 459 HB3 LYS 65 HB1 LYS 65 -5.315 -11.063 -9.526 460 HG2 LYS 65 HG2 LYS 65 -4.719 -11.842 -11.776 461 HG3 LYS 65 HG1 LYS 65 -4.373 -10.127 -11.536 462 HD2 LYS 65 HD2 LYS 65 -2.040 -10.576 -11.233 463 HD3 LYS 65 HD1 LYS 65 -2.332 -12.317 -11.229 464 HE2 LYS 65 HE2 LYS 65 -1.438 -11.598 -13.376 465 HE3 LYS 65 HE1 LYS 65 -3.089 -12.189 -13.553 466 HZ1 LYS 65 HZ1 LYS 65 -2.642 -10.134 -14.809 467 HZ2 LYS 65 HZ2 LYS 65 -2.352 -9.309 -13.351 468 HZ3 LYS 65 HZ3 LYS 65 -3.886 -9.945 -13.679 469 H ALA 66 HN ALA 66 -1.950 -8.810 -10.240 470 HA ALA 66 HA ALA 66 -3.902 -6.619 -10.059 471 HB1 ALA 66 HB1 ALA 66 -2.046 -5.045 -10.277 472 HB2 ALA 66 HB2 ALA 66 -0.902 -6.386 -10.340 473 HB3 ALA 66 HB3 ALA 66 -1.820 -6.076 -8.865 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 3.848 -3.133 2.630 2 H2 MET 1 HT2 MET 1 2.841 -4.031 3.651 3 H3 MET 1 HT3 MET 1 2.324 -2.530 3.060 4 HA MET 1 HA MET 1 2.726 -5.032 1.529 5 HB2 MET 1 HB2 MET 1 0.309 -3.246 1.937 6 HB3 MET 1 HB1 MET 1 0.346 -4.684 0.926 7 HG2 MET 1 HG2 MET 1 0.759 -6.071 2.872 8 HG3 MET 1 HG1 MET 1 0.806 -4.640 3.900 9 HE1 MET 1 HE1 MET 1 -1.011 -7.107 4.597 10 HE2 MET 1 HE2 MET 1 -2.517 -6.303 5.045 11 HE3 MET 1 HE3 MET 1 -0.970 -5.622 5.550 12 H GLU 2 HN GLU 2 3.404 -4.795 -0.504 13 HA GLU 2 HA GLU 2 3.727 -2.015 -1.431 14 HB2 GLU 2 HB2 GLU 2 5.478 -4.269 -2.344 15 HB3 GLU 2 HB1 GLU 2 5.835 -2.550 -2.276 16 HG2 GLU 2 HG2 GLU 2 5.565 -4.361 0.110 17 HG3 GLU 2 HG1 GLU 2 7.088 -3.883 -0.634 18 H GLN 3 HN GLN 3 3.508 -1.582 -3.645 19 HA GLN 3 HA GLN 3 2.256 -3.704 -5.247 20 HB2 GLN 3 HB2 GLN 3 1.164 -1.389 -4.938 21 HB3 GLN 3 HB1 GLN 3 2.450 -0.775 -5.963 22 HG2 GLN 3 HG2 GLN 3 0.651 -2.996 -6.864 23 HG3 GLN 3 HG1 GLN 3 0.189 -1.305 -7.028 24 HE21 GLN 3 HE21 GLN 3 2.203 -3.850 -8.194 25 HE22 GLN 3 HE22 GLN 3 2.876 -2.988 -9.543 26 H GLY 4 HN GLY 4 3.589 -4.759 -6.591 27 HA2 GLY 4 HA2 GLY 4 5.835 -3.316 -7.787 28 HA3 GLY 4 HA1 GLY 4 6.209 -4.706 -6.778 29 H THR 5 HN THR 5 7.152 -4.974 -9.143 30 HA THR 5 HA THR 5 5.183 -6.464 -10.736 31 HB THR 5 HB THR 5 7.810 -5.267 -11.645 32 HG1 THR 5 HG1 THR 5 6.411 -3.713 -12.669 33 HG21 THR 5 HG21 THR 5 5.518 -6.435 -13.231 34 HG22 THR 5 HG22 THR 5 7.083 -7.207 -12.974 35 HG23 THR 5 HG23 THR 5 6.978 -5.709 -13.902 36 H VAL 6 HN VAL 6 5.536 -8.583 -11.183 37 HA VAL 6 HA VAL 6 7.499 -10.029 -9.720 38 HB VAL 6 HB VAL 6 5.826 -10.956 -12.067 39 HG11 VAL 6 HG11 VAL 6 6.238 -13.217 -11.207 40 HG12 VAL 6 HG12 VAL 6 7.310 -12.547 -9.978 41 HG13 VAL 6 HG13 VAL 6 7.734 -12.414 -11.683 42 HG21 VAL 6 HG21 VAL 6 4.316 -11.893 -10.389 43 HG22 VAL 6 HG22 VAL 6 4.446 -10.142 -10.223 44 HG23 VAL 6 HG23 VAL 6 5.306 -11.201 -9.104 45 H LYS 7 HN LYS 7 9.577 -9.784 -10.176 46 HA LYS 7 HA LYS 7 10.618 -8.962 -12.664 47 HB2 LYS 7 HB2 LYS 7 11.832 -8.502 -10.633 48 HB3 LYS 7 HB1 LYS 7 11.933 -10.212 -10.247 49 HG2 LYS 7 HG2 LYS 7 14.059 -9.457 -11.043 50 HG3 LYS 7 HG1 LYS 7 13.354 -10.544 -12.239 51 HD2 LYS 7 HD2 LYS 7 14.233 -8.760 -13.489 52 HD3 LYS 7 HD1 LYS 7 12.500 -8.439 -13.404 53 HE2 LYS 7 HE2 LYS 7 13.753 -6.404 -13.022 54 HE3 LYS 7 HE1 LYS 7 12.899 -6.876 -11.555 55 HZ1 LYS 7 HZ1 LYS 7 15.713 -7.663 -11.988 56 HZ2 LYS 7 HZ2 LYS 7 14.865 -7.517 -10.532 57 HZ3 LYS 7 HZ3 LYS 7 15.328 -6.131 -11.380 58 H TRP 8 HN TRP 8 10.607 -12.111 -11.028 59 HA TRP 8 HA TRP 8 10.475 -13.505 -13.536 60 HB2 TRP 8 HB2 TRP 8 13.039 -13.246 -12.099 61 HB3 TRP 8 HB1 TRP 8 12.596 -14.896 -12.524 62 HD1 TRP 8 HD1 TRP 8 11.765 -15.042 -15.301 63 HE1 TRP 8 HE1 TRP 8 13.074 -14.103 -17.305 64 HE3 TRP 8 HE3 TRP 8 14.674 -11.640 -12.839 65 HZ2 TRP 8 HZ2 TRP 8 15.087 -12.178 -17.773 66 HZ3 TRP 8 HZ3 TRP 8 16.270 -10.291 -14.139 67 HH2 TRP 8 HH2 TRP 8 16.470 -10.558 -16.557 68 H PHE 9 HN PHE 9 10.625 -15.933 -13.106 69 HA PHE 9 HA PHE 9 9.943 -16.687 -10.384 70 HB2 PHE 9 HB2 PHE 9 8.007 -18.037 -11.119 71 HB3 PHE 9 HB1 PHE 9 7.755 -16.326 -11.417 72 HD1 PHE 9 HD1 PHE 9 8.449 -15.543 -13.871 73 HD2 PHE 9 HD2 PHE 9 7.447 -19.527 -12.754 74 HE1 PHE 9 HE1 PHE 9 7.891 -16.056 -16.210 75 HE2 PHE 9 HE2 PHE 9 6.892 -20.046 -15.094 76 HZ PHE 9 HZ PHE 9 7.117 -18.310 -16.825 77 H ASN 10 HN ASN 10 11.780 -17.814 -10.119 78 HA ASN 10 HA ASN 10 12.968 -19.258 -12.266 79 HB2 ASN 10 HB2 ASN 10 14.647 -19.959 -10.527 80 HB3 ASN 10 HB1 ASN 10 14.447 -18.220 -10.710 81 HD21 ASN 10 HD21 ASN 10 14.307 -20.866 -8.595 82 HD22 ASN 10 HD22 ASN 10 13.784 -20.017 -7.191 83 H ALA 11 HN ALA 11 11.328 -20.702 -12.848 84 HA ALA 11 HA ALA 11 10.300 -22.730 -11.177 85 HB1 ALA 11 HB1 ALA 11 9.644 -23.843 -13.247 86 HB2 ALA 11 HB2 ALA 11 10.680 -22.759 -14.170 87 HB3 ALA 11 HB3 ALA 11 9.273 -22.121 -13.322 88 H GLU 12 HN GLU 12 13.324 -22.246 -12.620 89 HA GLU 12 HA GLU 12 14.400 -24.769 -12.940 90 HB2 GLU 12 HB2 GLU 12 15.341 -22.289 -13.204 91 HB3 GLU 12 HB1 GLU 12 16.021 -22.628 -11.622 92 HG2 GLU 12 HG2 GLU 12 16.486 -24.274 -14.096 93 HG3 GLU 12 HG1 GLU 12 17.587 -23.054 -13.465 94 H LYS 13 HN LYS 13 13.976 -22.854 -9.988 95 HA LYS 13 HA LYS 13 14.614 -25.281 -8.447 96 HB2 LYS 13 HB2 LYS 13 15.376 -22.426 -7.905 97 HB3 LYS 13 HB1 LYS 13 15.296 -23.609 -6.606 98 HG2 LYS 13 HG2 LYS 13 16.968 -23.959 -9.086 99 HG3 LYS 13 HG1 LYS 13 17.571 -23.281 -7.570 100 HD2 LYS 13 HD2 LYS 13 17.093 -25.331 -6.405 101 HD3 LYS 13 HD1 LYS 13 16.300 -25.999 -7.831 102 HE2 LYS 13 HE2 LYS 13 19.198 -25.184 -7.811 103 HE3 LYS 13 HE1 LYS 13 18.658 -26.806 -7.375 104 HZ1 LYS 13 HZ1 LYS 13 18.126 -25.476 -9.987 105 HZ2 LYS 13 HZ2 LYS 13 17.703 -27.065 -9.564 106 HZ3 LYS 13 HZ3 LYS 13 19.333 -26.634 -9.709 107 H GLY 14 HN GLY 14 12.211 -23.225 -9.316 108 HA2 GLY 14 HA2 GLY 14 9.989 -23.341 -8.697 109 HA3 GLY 14 HA1 GLY 14 10.447 -24.394 -7.370 110 H PHE 15 HN PHE 15 11.126 -21.007 -8.287 111 HA PHE 15 HA PHE 15 9.780 -20.084 -5.874 112 HB2 PHE 15 HB2 PHE 15 12.675 -19.409 -6.461 113 HB3 PHE 15 HB1 PHE 15 11.691 -18.601 -5.252 114 HD1 PHE 15 HD1 PHE 15 10.768 -20.025 -3.344 115 HD2 PHE 15 HD2 PHE 15 13.888 -21.312 -5.935 116 HE1 PHE 15 HE1 PHE 15 11.468 -21.686 -1.669 117 HE2 PHE 15 HE2 PHE 15 14.592 -22.977 -4.268 118 HZ PHE 15 HZ PHE 15 13.382 -23.166 -2.131 119 H GLY 16 HN GLY 16 10.042 -17.504 -5.902 120 HA2 GLY 16 HA2 GLY 16 10.097 -16.571 -8.700 121 HA3 GLY 16 HA1 GLY 16 8.734 -16.159 -7.672 122 H PHE 17 HN PHE 17 10.197 -14.169 -8.862 123 HA PHE 17 HA PHE 17 11.382 -12.886 -6.496 124 HB2 PHE 17 HB2 PHE 17 12.502 -12.800 -9.307 125 HB3 PHE 17 HB1 PHE 17 13.003 -11.715 -8.016 126 HD1 PHE 17 HD2 PHE 17 13.677 -13.058 -5.773 127 HD2 PHE 17 HD1 PHE 17 13.860 -14.573 -9.745 128 HE1 PHE 17 HE2 PHE 17 15.380 -14.688 -5.069 129 HE2 PHE 17 HE1 PHE 17 15.570 -16.200 -9.049 130 HZ PHE 17 HZ PHE 17 16.330 -16.259 -6.709 131 H ILE 18 HN ILE 18 10.625 -10.884 -6.123 132 HA ILE 18 HA ILE 18 9.222 -9.489 -8.314 133 HB ILE 18 HB ILE 18 8.587 -9.434 -5.355 134 HG12 ILE 18 HG12 ILE 18 6.941 -10.275 -7.749 135 HG13 ILE 18 HG11 ILE 18 7.699 -11.363 -6.593 136 HG21 ILE 18 HG21 ILE 18 6.793 -7.852 -5.904 137 HG22 ILE 18 HG22 ILE 18 7.377 -7.775 -7.568 138 HG23 ILE 18 HG23 ILE 18 8.387 -7.181 -6.247 139 HD11 ILE 18 HD11 ILE 18 6.278 -10.481 -4.822 140 HD12 ILE 18 HD12 ILE 18 5.320 -11.118 -6.156 141 HD13 ILE 18 HD13 ILE 18 5.523 -9.378 -5.971 142 H GLU 19 HN GLU 19 9.567 -7.244 -8.505 143 HA GLU 19 HA GLU 19 12.036 -6.335 -7.205 144 HB2 GLU 19 HB2 GLU 19 12.165 -4.688 -9.033 145 HB3 GLU 19 HB1 GLU 19 12.102 -6.336 -9.634 146 HG2 GLU 19 HG2 GLU 19 9.756 -6.077 -10.180 147 HG3 GLU 19 HG1 GLU 19 9.769 -4.441 -9.520 148 H ARG 20 HN ARG 20 12.108 -4.537 -5.962 149 HA ARG 20 HA ARG 20 9.693 -2.853 -5.809 150 HB2 ARG 20 HB2 ARG 20 11.523 -3.678 -3.541 151 HB3 ARG 20 HB1 ARG 20 10.269 -2.454 -3.407 152 HG2 ARG 20 HG2 ARG 20 8.556 -4.095 -3.784 153 HG3 ARG 20 HG1 ARG 20 9.768 -5.339 -4.108 154 HD2 ARG 20 HD2 ARG 20 8.931 -5.592 -1.858 155 HD3 ARG 20 HD1 ARG 20 10.613 -5.075 -1.808 156 HE ARG 20 HE ARG 20 8.436 -3.119 -1.474 157 HH11 ARG 20 HH11 ARG 20 11.321 -4.697 -0.282 158 HH12 ARG 20 HH12 ARG 20 11.456 -3.688 1.125 159 HH21 ARG 20 HH21 ARG 20 8.564 -1.814 0.396 160 HH22 ARG 20 HH22 ARG 20 9.862 -2.073 1.540 161 H GLU 21 HN GLU 21 10.162 -0.616 -5.163 162 HA GLU 21 HA GLU 21 12.407 0.457 -6.518 163 HB2 GLU 21 HB2 GLU 21 10.497 1.729 -4.551 164 HB3 GLU 21 HB1 GLU 21 11.668 2.615 -5.520 165 HG2 GLU 21 HG2 GLU 21 9.459 0.913 -6.646 166 HG3 GLU 21 HG1 GLU 21 9.367 2.658 -6.426 167 H ASN 22 HN ASN 22 11.939 -0.716 -3.335 168 HA ASN 22 HA ASN 22 14.369 0.617 -2.361 169 HB2 ASN 22 HB2 ASN 22 12.166 0.675 -1.029 170 HB3 ASN 22 HB1 ASN 22 12.458 -1.029 -0.696 171 HD21 ASN 22 HD21 ASN 22 12.743 -0.792 1.483 172 HD22 ASN 22 HD22 ASN 22 14.098 0.025 2.181 173 H GLY 23 HN GLY 23 14.064 -1.786 -4.210 174 HA2 GLY 23 HA2 GLY 23 16.209 -3.234 -3.998 175 HA3 GLY 23 HA1 GLY 23 15.371 -3.859 -2.584 176 H ASP 24 HN ASP 24 16.042 -4.545 -5.696 177 HA ASP 24 HA ASP 24 13.398 -5.655 -6.296 178 HB2 ASP 24 HB2 ASP 24 14.167 -5.889 -8.590 179 HB3 ASP 24 HB1 ASP 24 14.455 -4.250 -8.023 180 H ASP 25 HN ASP 25 14.306 -7.059 -4.347 181 HA ASP 25 HA ASP 25 14.841 -9.632 -5.560 182 HB2 ASP 25 HB2 ASP 25 17.105 -8.892 -5.063 183 HB3 ASP 25 HB1 ASP 25 16.644 -8.485 -3.416 184 H VAL 26 HN VAL 26 12.615 -9.801 -4.948 185 HA VAL 26 HA VAL 26 12.297 -10.452 -2.087 186 HB VAL 26 HB VAL 26 10.135 -9.609 -4.035 187 HG11 VAL 26 HG11 VAL 26 8.689 -9.530 -2.050 188 HG12 VAL 26 HG12 VAL 26 10.007 -10.177 -1.075 189 HG13 VAL 26 HG13 VAL 26 9.299 -11.155 -2.360 190 HG21 VAL 26 HG21 VAL 26 11.577 -7.737 -3.457 191 HG22 VAL 26 HG22 VAL 26 11.376 -8.095 -1.741 192 HG23 VAL 26 HG23 VAL 26 9.995 -7.559 -2.698 193 H PHE 27 HN PHE 27 12.005 -12.547 -1.661 194 HA PHE 27 HA PHE 27 11.773 -14.457 -3.790 195 HB2 PHE 27 HB2 PHE 27 12.097 -14.604 -0.830 196 HB3 PHE 27 HB1 PHE 27 11.509 -16.027 -1.679 197 HD1 PHE 27 HD2 PHE 27 12.910 -17.183 -3.288 198 HD2 PHE 27 HD1 PHE 27 14.362 -13.863 -1.060 199 HE1 PHE 27 HE2 PHE 27 15.217 -17.813 -3.868 200 HE2 PHE 27 HE1 PHE 27 16.673 -14.484 -1.635 201 HZ PHE 27 HZ PHE 27 17.101 -16.462 -3.039 202 H VAL 28 HN VAL 28 9.936 -14.953 -4.727 203 HA VAL 28 HA VAL 28 7.404 -14.621 -3.348 204 HB VAL 28 HB VAL 28 7.923 -15.707 -6.123 205 HG11 VAL 28 HG11 VAL 28 5.755 -16.371 -5.214 206 HG12 VAL 28 HG12 VAL 28 5.563 -15.203 -6.522 207 HG13 VAL 28 HG13 VAL 28 5.386 -14.685 -4.846 208 HG21 VAL 28 HG21 VAL 28 8.734 -13.428 -5.928 209 HG22 VAL 28 HG22 VAL 28 7.189 -12.919 -5.248 210 HG23 VAL 28 HG23 VAL 28 7.274 -13.484 -6.916 211 H HIS 29 HN HIS 29 6.359 -16.164 -2.329 212 HA HIS 29 HA HIS 29 7.252 -18.945 -2.625 213 HB2 HIS 29 HB2 HIS 29 5.869 -17.447 -0.414 214 HB3 HIS 29 HB1 HIS 29 5.743 -19.199 -0.508 215 HD1 HIS 29 HD1 HIS 29 7.385 -20.319 0.937 216 HD2 HIS 29 HD2 HIS 29 8.840 -16.703 -0.516 217 HE1 HIS 29 HE1 HIS 29 9.694 -20.085 1.902 218 HE2 HIS 29 HE2 HIS 29 10.486 -17.818 1.142 219 H PHE 30 HN PHE 30 5.811 -20.555 -3.188 220 HA PHE 30 HA PHE 30 3.636 -19.670 -4.819 221 HB2 PHE 30 HB2 PHE 30 4.743 -22.389 -4.159 222 HB3 PHE 30 HB1 PHE 30 3.294 -22.185 -5.140 223 HD1 PHE 30 HD1 PHE 30 6.923 -21.734 -5.006 224 HD2 PHE 30 HD2 PHE 30 3.411 -21.261 -7.363 225 HE1 PHE 30 HE1 PHE 30 8.312 -21.403 -7.009 226 HE2 PHE 30 HE2 PHE 30 4.796 -20.929 -9.367 227 HZ PHE 30 HZ PHE 30 7.250 -21.001 -9.192 228 H SER 31 HN SER 31 3.903 -20.637 -1.549 229 HA SER 31 HA SER 31 1.184 -21.497 -1.236 230 HB2 SER 31 HB2 SER 31 3.185 -22.036 0.293 231 HB3 SER 31 HB1 SER 31 2.947 -20.427 0.967 232 HG SER 31 HG SER 31 1.265 -22.685 1.078 233 H ALA 32 HN ALA 32 2.619 -18.549 -1.807 234 HA ALA 32 HA ALA 32 0.399 -17.050 -0.586 235 HB1 ALA 32 HB1 ALA 32 2.564 -16.377 0.282 236 HB2 ALA 32 HB2 ALA 32 1.887 -15.090 -0.717 237 HB3 ALA 32 HB3 ALA 32 3.162 -16.120 -1.358 238 H ILE 33 HN ILE 33 0.670 -18.527 -3.210 239 HA ILE 33 HA ILE 33 0.923 -16.764 -5.362 240 HB ILE 33 HB ILE 33 0.922 -19.259 -5.513 241 HG12 ILE 33 HG12 ILE 33 -0.290 -19.372 -7.682 242 HG13 ILE 33 HG11 ILE 33 -1.000 -17.799 -7.337 243 HG21 ILE 33 HG21 ILE 33 -0.949 -19.829 -4.143 244 HG22 ILE 33 HG22 ILE 33 -1.285 -20.383 -5.784 245 HG23 ILE 33 HG23 ILE 33 -2.048 -18.914 -5.174 246 HD11 ILE 33 HD11 ILE 33 1.224 -16.791 -7.343 247 HD12 ILE 33 HD12 ILE 33 0.884 -17.613 -8.864 248 HD13 ILE 33 HD13 ILE 33 1.940 -18.366 -7.672 249 H GLN 34 HN GLN 34 -0.673 -15.804 -6.712 250 HA GLN 34 HA GLN 34 -2.652 -14.355 -5.386 251 HB2 GLN 34 HB2 GLN 34 -3.437 -13.687 -7.626 252 HB3 GLN 34 HB1 GLN 34 -1.690 -13.562 -7.474 253 HG2 GLN 34 HG2 GLN 34 -1.303 -15.327 -8.891 254 HG3 GLN 34 HG1 GLN 34 -2.887 -16.044 -8.605 255 HE21 GLN 34 HE21 GLN 34 -4.667 -15.267 -9.694 256 HE22 GLN 34 HE22 GLN 34 -4.530 -14.287 -11.116 257 H GLY 35 HN GLY 35 -4.976 -14.313 -5.993 258 HA2 GLY 35 HA2 GLY 35 -6.264 -16.717 -5.344 259 HA3 GLY 35 HA1 GLY 35 -7.044 -15.283 -5.997 260 H ASP 36 HN ASP 36 -8.170 -17.475 -6.748 261 HA ASP 36 HA ASP 36 -7.126 -19.084 -8.730 262 HB2 ASP 36 HB2 ASP 36 -9.948 -18.231 -8.143 263 HB3 ASP 36 HB1 ASP 36 -9.575 -19.363 -9.441 264 H GLY 37 HN GLY 37 -7.308 -19.172 -10.951 265 HA2 GLY 37 HA2 GLY 37 -8.072 -17.911 -12.993 266 HA3 GLY 37 HA1 GLY 37 -7.374 -16.500 -12.204 267 H PHE 38 HN PHE 38 -5.042 -17.328 -11.235 268 HA PHE 38 HA PHE 38 -3.600 -18.859 -13.240 269 HB2 PHE 38 HB2 PHE 38 -2.972 -15.973 -12.594 270 HB3 PHE 38 HB1 PHE 38 -1.796 -17.066 -13.317 271 HD1 PHE 38 HD1 PHE 38 -2.497 -18.213 -15.520 272 HD2 PHE 38 HD2 PHE 38 -4.387 -14.741 -13.943 273 HE1 PHE 38 HE1 PHE 38 -3.372 -17.677 -17.755 274 HE2 PHE 38 HE2 PHE 38 -5.268 -14.203 -16.176 275 HZ PHE 38 HZ PHE 38 -4.763 -15.674 -18.084 276 H LYS 39 HN LYS 39 -2.605 -20.348 -12.022 277 HA LYS 39 HA LYS 39 -1.558 -19.554 -9.403 278 HB2 LYS 39 HB2 LYS 39 -1.363 -21.857 -8.848 279 HB3 LYS 39 HB1 LYS 39 -2.925 -21.658 -9.616 280 HG2 LYS 39 HG2 LYS 39 -0.467 -22.750 -10.971 281 HG3 LYS 39 HG1 LYS 39 -1.755 -23.723 -10.269 282 HD2 LYS 39 HD2 LYS 39 -3.328 -22.460 -11.828 283 HD3 LYS 39 HD1 LYS 39 -1.873 -21.901 -12.653 284 HE2 LYS 39 HE2 LYS 39 -2.706 -23.839 -13.800 285 HE3 LYS 39 HE1 LYS 39 -1.208 -24.273 -12.975 286 HZ1 LYS 39 HZ1 LYS 39 -2.979 -25.947 -12.736 287 HZ2 LYS 39 HZ2 LYS 39 -3.933 -24.810 -11.916 288 HZ3 LYS 39 HZ3 LYS 39 -2.467 -25.332 -11.240 289 H SER 40 HN SER 40 -0.522 -19.156 -12.300 290 HA SER 40 HA SER 40 2.273 -19.807 -11.664 291 HB2 SER 40 HB2 SER 40 1.034 -19.591 -14.424 292 HB3 SER 40 HB1 SER 40 2.712 -19.992 -14.064 293 HG SER 40 HG SER 40 1.172 -21.786 -14.502 294 H LEU 41 HN LEU 41 3.813 -18.190 -12.158 295 HA LEU 41 HA LEU 41 2.635 -15.526 -12.538 296 HB2 LEU 41 HB2 LEU 41 5.194 -16.362 -11.178 297 HB3 LEU 41 HB1 LEU 41 4.786 -14.692 -11.524 298 HG LEU 41 HG LEU 41 3.243 -16.552 -9.714 299 HD11 LEU 41 HD11 LEU 41 3.994 -15.053 -7.939 300 HD12 LEU 41 HD12 LEU 41 4.939 -14.135 -9.111 301 HD13 LEU 41 HD13 LEU 41 5.358 -15.812 -8.759 302 HD21 LEU 41 HD21 LEU 41 1.907 -14.583 -9.164 303 HD22 LEU 41 HD22 LEU 41 1.767 -14.993 -10.874 304 HD23 LEU 41 HD23 LEU 41 2.785 -13.643 -10.370 305 H ASP 42 HN ASP 42 4.449 -13.953 -13.437 306 HA ASP 42 HA ASP 42 5.788 -15.141 -15.727 307 HB2 ASP 42 HB2 ASP 42 3.497 -13.185 -15.977 308 HB3 ASP 42 HB1 ASP 42 4.662 -13.463 -17.262 309 H GLU 43 HN GLU 43 7.537 -14.012 -16.314 310 HA GLU 43 HA GLU 43 8.504 -11.923 -14.705 311 HB2 GLU 43 HB2 GLU 43 10.256 -11.689 -16.499 312 HB3 GLU 43 HB1 GLU 43 10.088 -13.306 -15.834 313 HG2 GLU 43 HG2 GLU 43 8.905 -14.056 -17.771 314 HG3 GLU 43 HG1 GLU 43 8.819 -12.416 -18.411 315 H GLY 44 HN GLY 44 7.626 -9.963 -14.618 316 HA2 GLY 44 HA2 GLY 44 7.641 -7.797 -15.671 317 HA3 GLY 44 HA1 GLY 44 7.230 -8.579 -17.186 318 H GLN 45 HN GLN 45 5.304 -9.958 -14.769 319 HA GLN 45 HA GLN 45 3.205 -8.017 -15.436 320 HB2 GLN 45 HB2 GLN 45 1.543 -9.636 -14.872 321 HB3 GLN 45 HB1 GLN 45 2.700 -10.375 -15.961 322 HG2 GLN 45 HG2 GLN 45 3.687 -11.611 -14.154 323 HG3 GLN 45 HG1 GLN 45 2.669 -10.775 -12.978 324 HE21 GLN 45 HE21 GLN 45 2.855 -13.633 -13.570 325 HE22 GLN 45 HE22 GLN 45 1.274 -14.145 -14.024 326 H ALA 46 HN ALA 46 2.084 -6.891 -13.946 327 HA ALA 46 HA ALA 46 3.531 -6.508 -11.462 328 HB1 ALA 46 HB1 ALA 46 3.000 -4.587 -12.879 329 HB2 ALA 46 HB2 ALA 46 2.273 -4.439 -11.277 330 HB3 ALA 46 HB3 ALA 46 1.278 -4.904 -12.658 331 H VAL 47 HN VAL 47 2.619 -6.424 -9.423 332 HA VAL 47 HA VAL 47 -0.112 -7.367 -9.021 333 HB VAL 47 HB VAL 47 0.654 -9.042 -7.320 334 HG11 VAL 47 HG11 VAL 47 -0.084 -9.799 -9.510 335 HG12 VAL 47 HG12 VAL 47 1.236 -10.808 -8.917 336 HG13 VAL 47 HG13 VAL 47 1.544 -9.582 -10.148 337 HG21 VAL 47 HG21 VAL 47 2.970 -9.880 -7.479 338 HG22 VAL 47 HG22 VAL 47 2.891 -8.209 -6.920 339 HG23 VAL 47 HG23 VAL 47 3.352 -8.562 -8.587 340 H THR 48 HN THR 48 -0.579 -7.379 -6.580 341 HA THR 48 HA THR 48 1.103 -5.419 -5.147 342 HB THR 48 HB THR 48 -1.881 -5.811 -4.777 343 HG1 THR 48 HG1 THR 48 -0.884 -4.695 -6.801 344 HG21 THR 48 HG21 THR 48 0.016 -3.710 -3.720 345 HG22 THR 48 HG22 THR 48 -0.724 -5.008 -2.780 346 HG23 THR 48 HG23 THR 48 -1.730 -3.734 -3.473 347 H PHE 49 HN PHE 49 1.740 -6.108 -3.079 348 HA PHE 49 HA PHE 49 0.698 -8.662 -2.122 349 HB2 PHE 49 HB2 PHE 49 2.870 -9.773 -2.218 350 HB3 PHE 49 HB1 PHE 49 2.368 -9.281 -3.832 351 HD1 PHE 49 HD2 PHE 49 3.361 -7.145 -4.791 352 HD2 PHE 49 HD1 PHE 49 4.923 -9.088 -1.341 353 HE1 PHE 49 HE2 PHE 49 5.486 -5.942 -5.078 354 HE2 PHE 49 HE1 PHE 49 7.050 -7.886 -1.623 355 HZ PHE 49 HZ PHE 49 7.334 -6.308 -3.492 356 H ASP 50 HN ASP 50 1.673 -9.326 -0.078 357 HA ASP 50 HA ASP 50 2.731 -7.038 1.432 358 HB2 ASP 50 HB2 ASP 50 0.846 -8.173 2.484 359 HB3 ASP 50 HB1 ASP 50 1.696 -9.713 2.396 360 H VAL 51 HN VAL 51 4.752 -7.083 2.343 361 HA VAL 51 HA VAL 51 6.413 -9.378 1.568 362 HB VAL 51 HB VAL 51 7.014 -7.475 0.196 363 HG11 VAL 51 HG11 VAL 51 6.221 -5.659 1.581 364 HG12 VAL 51 HG12 VAL 51 7.918 -5.405 1.175 365 HG13 VAL 51 HG13 VAL 51 7.471 -5.989 2.775 366 HG21 VAL 51 HG21 VAL 51 9.401 -7.296 0.751 367 HG22 VAL 51 HG22 VAL 51 8.815 -8.956 0.877 368 HG23 VAL 51 HG23 VAL 51 9.073 -8.000 2.335 369 H GLU 52 HN GLU 52 6.989 -10.496 3.275 370 HA GLU 52 HA GLU 52 7.657 -9.003 5.717 371 HB2 GLU 52 HB2 GLU 52 7.231 -11.197 6.914 372 HB3 GLU 52 HB1 GLU 52 5.818 -10.376 6.271 373 HG2 GLU 52 HG2 GLU 52 5.800 -11.901 4.365 374 HG3 GLU 52 HG1 GLU 52 7.222 -12.721 5.010 375 H GLU 53 HN GLU 53 9.684 -8.979 6.290 376 HA GLU 53 HA GLU 53 11.679 -10.239 4.740 377 HB2 GLU 53 HB2 GLU 53 11.968 -8.963 7.460 378 HB3 GLU 53 HB1 GLU 53 13.258 -9.253 6.296 379 HG2 GLU 53 HG2 GLU 53 12.089 -7.735 4.713 380 HG3 GLU 53 HG1 GLU 53 10.934 -7.363 5.991 381 H GLY 54 HN GLY 54 12.241 -12.299 4.797 382 HA2 GLY 54 HA2 GLY 54 11.465 -13.860 7.153 383 HA3 GLY 54 HA1 GLY 54 11.735 -14.497 5.540 384 H GLN 55 HN GLN 55 13.090 -16.064 6.168 385 HA GLN 55 HA GLN 55 15.065 -16.097 8.030 386 HB2 GLN 55 HB2 GLN 55 15.076 -17.523 5.366 387 HB3 GLN 55 HB1 GLN 55 16.098 -17.938 6.733 388 HG2 GLN 55 HG2 GLN 55 14.345 -19.479 6.800 389 HG3 GLN 55 HG1 GLN 55 13.955 -18.295 8.044 390 HE21 GLN 55 HE21 GLN 55 13.096 -19.570 4.921 391 HE22 GLN 55 HE22 GLN 55 11.528 -18.828 4.837 392 H ARG 56 HN ARG 56 16.002 -15.923 4.591 393 HA ARG 56 HA ARG 56 18.237 -14.211 5.445 394 HB2 ARG 56 HB2 ARG 56 18.100 -16.257 3.232 395 HB3 ARG 56 HB1 ARG 56 19.422 -15.107 3.406 396 HG2 ARG 56 HG2 ARG 56 19.834 -16.018 5.678 397 HG3 ARG 56 HG1 ARG 56 18.606 -17.243 5.358 398 HD2 ARG 56 HD2 ARG 56 19.894 -18.148 3.550 399 HD3 ARG 56 HD1 ARG 56 21.062 -16.830 3.664 400 HE ARG 56 HE ARG 56 21.123 -17.960 6.138 401 HH11 ARG 56 HH11 ARG 56 21.484 -19.246 2.901 402 HH12 ARG 56 HH12 ARG 56 22.602 -20.486 3.380 403 HH21 ARG 56 HH21 ARG 56 22.589 -19.587 6.772 404 HH22 ARG 56 HH22 ARG 56 23.244 -20.668 5.582 405 H GLY 57 HN GLY 57 15.414 -14.276 3.627 406 HA2 GLY 57 HA2 GLY 57 16.118 -11.723 2.411 407 HA3 GLY 57 HA1 GLY 57 15.660 -13.018 1.317 408 HA PRO 58 HA PRO 58 11.842 -10.839 3.146 409 HB2 PRO 58 HB2 PRO 58 11.280 -9.136 1.097 410 HB3 PRO 58 HB1 PRO 58 12.220 -8.659 2.515 411 HG2 PRO 58 HG2 PRO 58 13.164 -9.435 -0.212 412 HG3 PRO 58 HG1 PRO 58 13.757 -8.154 0.860 413 HD2 PRO 58 HD2 PRO 58 15.012 -10.550 0.579 414 HD3 PRO 58 HD1 PRO 58 15.057 -9.602 2.080 415 H GLN 59 HN GLN 59 10.011 -11.920 2.698 416 HA GLN 59 HA GLN 59 9.876 -13.204 0.058 417 HB2 GLN 59 HB2 GLN 59 8.691 -15.054 1.044 418 HB3 GLN 59 HB1 GLN 59 10.184 -14.798 1.930 419 HG2 GLN 59 HG2 GLN 59 8.958 -13.694 3.712 420 HG3 GLN 59 HG1 GLN 59 7.453 -13.895 2.815 421 HE21 GLN 59 HE21 GLN 59 9.899 -15.468 4.691 422 HE22 GLN 59 HE22 GLN 59 9.051 -16.952 4.930 423 H ALA 60 HN ALA 60 7.973 -13.250 -1.039 424 HA ALA 60 HA ALA 60 6.085 -11.157 -0.352 425 HB1 ALA 60 HB1 ALA 60 6.910 -11.335 -2.652 426 HB2 ALA 60 HB2 ALA 60 5.161 -11.555 -2.580 427 HB3 ALA 60 HB3 ALA 60 6.219 -12.954 -2.778 428 H ALA 61 HN ALA 61 4.413 -11.582 0.888 429 HA ALA 61 HA ALA 61 3.135 -14.229 0.698 430 HB1 ALA 61 HB1 ALA 61 3.332 -12.445 3.126 431 HB2 ALA 61 HB2 ALA 61 4.228 -13.941 2.868 432 HB3 ALA 61 HB3 ALA 61 2.475 -13.983 3.043 433 H ASN 62 HN ASN 62 0.909 -14.259 0.532 434 HA ASN 62 HA ASN 62 -1.060 -13.547 -0.362 435 HB2 ASN 62 HB2 ASN 62 -0.551 -10.991 1.162 436 HB3 ASN 62 HB1 ASN 62 -2.098 -11.556 0.547 437 HD21 ASN 62 HD21 ASN 62 -1.128 -10.845 3.182 438 HD22 ASN 62 HD22 ASN 62 -1.498 -12.201 4.211 439 H VAL 63 HN VAL 63 -0.259 -13.452 -2.486 440 HA VAL 63 HA VAL 63 0.453 -10.762 -3.367 441 HB VAL 63 HB VAL 63 0.741 -13.388 -4.855 442 HG11 VAL 63 HG11 VAL 63 1.675 -10.616 -5.585 443 HG12 VAL 63 HG12 VAL 63 0.399 -11.535 -6.384 444 HG13 VAL 63 HG13 VAL 63 2.069 -12.095 -6.461 445 HG21 VAL 63 HG21 VAL 63 2.282 -13.252 -2.978 446 HG22 VAL 63 HG22 VAL 63 2.825 -11.661 -3.516 447 HG23 VAL 63 HG23 VAL 63 3.153 -13.086 -4.504 448 H GLN 64 HN GLN 64 -1.292 -9.639 -3.891 449 HA GLN 64 HA GLN 64 -3.583 -10.962 -5.130 450 HB2 GLN 64 HB2 GLN 64 -3.862 -9.403 -3.185 451 HB3 GLN 64 HB1 GLN 64 -3.294 -8.096 -4.212 452 HG2 GLN 64 HG2 GLN 64 -5.188 -8.323 -5.654 453 HG3 GLN 64 HG1 GLN 64 -5.714 -9.775 -4.805 454 HE21 GLN 64 HE21 GLN 64 -5.026 -8.671 -2.195 455 HE22 GLN 64 HE22 GLN 64 -6.259 -7.520 -1.819 456 H LYS 65 HN LYS 65 -4.321 -10.428 -7.186 457 HA LYS 65 HA LYS 65 -2.191 -9.653 -8.948 458 HB2 LYS 65 HB2 LYS 65 -3.790 -11.547 -9.375 459 HB3 LYS 65 HB1 LYS 65 -5.039 -10.343 -9.670 460 HG2 LYS 65 HG2 LYS 65 -3.982 -11.252 -11.726 461 HG3 LYS 65 HG1 LYS 65 -3.873 -9.496 -11.571 462 HD2 LYS 65 HD2 LYS 65 -1.600 -9.605 -10.924 463 HD3 LYS 65 HD1 LYS 65 -1.676 -11.351 -10.685 464 HE2 LYS 65 HE2 LYS 65 -2.050 -9.981 -13.339 465 HE3 LYS 65 HE1 LYS 65 -0.516 -10.639 -12.772 466 HZ1 LYS 65 HZ1 LYS 65 -1.470 -12.288 -14.110 467 HZ2 LYS 65 HZ2 LYS 65 -3.007 -12.109 -13.415 468 HZ3 LYS 65 HZ3 LYS 65 -1.752 -12.810 -12.522 469 H ALA 66 HN ALA 66 -1.891 -7.770 -9.938 470 HA ALA 66 HA ALA 66 -3.947 -5.697 -9.660 471 HB1 ALA 66 HB1 ALA 66 -2.136 -4.095 -10.085 472 HB2 ALA 66 HB2 ALA 66 -0.996 -5.432 -10.242 473 HB3 ALA 66 HB3 ALA 66 -1.784 -5.122 -8.695 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 0.841 -5.966 -0.067 2 H2 MET 1 HT2 MET 1 -0.057 -5.654 1.338 3 H3 MET 1 HT3 MET 1 1.304 -4.708 0.971 4 HA MET 1 HA MET 1 -1.133 -4.848 -0.708 5 HB2 MET 1 HB2 MET 1 -1.643 -2.595 0.158 6 HB3 MET 1 HB1 MET 1 -1.674 -3.809 1.428 7 HG2 MET 1 HG2 MET 1 0.533 -3.105 2.170 8 HG3 MET 1 HG1 MET 1 0.591 -1.908 0.879 9 HE1 MET 1 HE1 MET 1 -1.247 -3.032 4.164 10 HE2 MET 1 HE2 MET 1 -2.574 -2.875 3.011 11 HE3 MET 1 HE3 MET 1 -2.437 -1.747 4.359 12 H GLU 2 HN GLU 2 1.890 -4.925 -1.118 13 HA GLU 2 HA GLU 2 2.310 -2.411 -2.547 14 HB2 GLU 2 HB2 GLU 2 4.292 -4.653 -2.102 15 HB3 GLU 2 HB1 GLU 2 4.641 -3.016 -2.630 16 HG2 GLU 2 HG2 GLU 2 5.319 -3.122 -0.389 17 HG3 GLU 2 HG1 GLU 2 3.790 -2.246 -0.374 18 H GLN 3 HN GLN 3 2.346 -2.329 -4.745 19 HA GLN 3 HA GLN 3 1.862 -4.865 -6.136 20 HB2 GLN 3 HB2 GLN 3 0.288 -2.862 -6.384 21 HB3 GLN 3 HB1 GLN 3 1.573 -2.109 -7.323 22 HG2 GLN 3 HG2 GLN 3 1.466 -3.816 -8.980 23 HG3 GLN 3 HG1 GLN 3 0.372 -4.784 -7.991 24 HE21 GLN 3 HE21 GLN 3 -1.776 -4.123 -7.752 25 HE22 GLN 3 HE22 GLN 3 -2.521 -3.033 -8.874 26 H GLY 4 HN GLY 4 3.387 -5.759 -7.338 27 HA2 GLY 4 HA2 GLY 4 5.614 -4.079 -8.280 28 HA3 GLY 4 HA1 GLY 4 5.950 -5.545 -7.367 29 H THR 5 HN THR 5 7.033 -5.338 -9.817 30 HA THR 5 HA THR 5 5.256 -6.714 -11.684 31 HB THR 5 HB THR 5 8.048 -5.644 -12.150 32 HG1 THR 5 HG1 THR 5 5.575 -4.433 -12.053 33 HG21 THR 5 HG21 THR 5 7.375 -7.402 -13.731 34 HG22 THR 5 HG22 THR 5 7.476 -5.831 -14.521 35 HG23 THR 5 HG23 THR 5 5.903 -6.503 -14.100 36 H VAL 6 HN VAL 6 5.382 -8.822 -12.046 37 HA VAL 6 HA VAL 6 7.115 -10.542 -10.628 38 HB VAL 6 HB VAL 6 5.548 -11.126 -13.154 39 HG11 VAL 6 HG11 VAL 6 7.245 -12.809 -12.736 40 HG12 VAL 6 HG12 VAL 6 5.640 -13.466 -12.419 41 HG13 VAL 6 HG13 VAL 6 6.680 -12.994 -11.075 42 HG21 VAL 6 HG21 VAL 6 4.086 -10.299 -11.416 43 HG22 VAL 6 HG22 VAL 6 4.771 -11.437 -10.259 44 HG23 VAL 6 HG23 VAL 6 3.838 -12.033 -11.630 45 H LYS 7 HN LYS 7 9.239 -10.634 -10.945 46 HA LYS 7 HA LYS 7 10.532 -9.737 -13.303 47 HB2 LYS 7 HB2 LYS 7 11.563 -9.770 -11.017 48 HB3 LYS 7 HB1 LYS 7 11.651 -11.522 -11.127 49 HG2 LYS 7 HG2 LYS 7 13.767 -10.934 -11.747 50 HG3 LYS 7 HG1 LYS 7 12.976 -11.029 -13.321 51 HD2 LYS 7 HD2 LYS 7 14.250 -9.026 -13.309 52 HD3 LYS 7 HD1 LYS 7 12.555 -8.553 -13.134 53 HE2 LYS 7 HE2 LYS 7 12.884 -8.368 -10.699 54 HE3 LYS 7 HE1 LYS 7 14.583 -8.792 -10.908 55 HZ1 LYS 7 HZ1 LYS 7 14.870 -6.806 -12.263 56 HZ2 LYS 7 HZ2 LYS 7 14.308 -6.412 -10.718 57 HZ3 LYS 7 HZ3 LYS 7 13.239 -6.390 -12.034 58 H TRP 8 HN TRP 8 10.208 -12.948 -11.855 59 HA TRP 8 HA TRP 8 9.493 -14.313 -14.180 60 HB2 TRP 8 HB2 TRP 8 11.786 -13.801 -14.946 61 HB3 TRP 8 HB1 TRP 8 12.442 -14.552 -13.496 62 HD1 TRP 8 HD1 TRP 8 9.999 -15.732 -16.291 63 HE1 TRP 8 HE1 TRP 8 10.700 -18.104 -17.001 64 HE3 TRP 8 HE3 TRP 8 13.983 -16.363 -13.150 65 HZ2 TRP 8 HZ2 TRP 8 12.689 -19.991 -16.317 66 HZ3 TRP 8 HZ3 TRP 8 15.235 -18.479 -13.245 67 HH2 TRP 8 HH2 TRP 8 14.600 -20.254 -14.795 68 H PHE 9 HN PHE 9 8.847 -16.375 -13.639 69 HA PHE 9 HA PHE 9 9.052 -17.083 -10.843 70 HB2 PHE 9 HB2 PHE 9 7.630 -19.074 -11.578 71 HB3 PHE 9 HB1 PHE 9 6.898 -17.485 -11.730 72 HD1 PHE 9 HD1 PHE 9 6.888 -16.395 -14.034 73 HD2 PHE 9 HD2 PHE 9 7.778 -20.509 -13.408 74 HE1 PHE 9 HE1 PHE 9 6.368 -16.863 -16.392 75 HE2 PHE 9 HE2 PHE 9 7.262 -20.983 -15.766 76 HZ PHE 9 HZ PHE 9 6.557 -19.158 -17.260 77 H ASN 10 HN ASN 10 11.120 -17.667 -10.409 78 HA ASN 10 HA ASN 10 12.671 -19.166 -12.242 79 HB2 ASN 10 HB2 ASN 10 14.256 -19.433 -10.216 80 HB3 ASN 10 HB1 ASN 10 14.013 -17.838 -10.902 81 HD21 ASN 10 HD21 ASN 10 11.659 -19.412 -8.822 82 HD22 ASN 10 HD22 ASN 10 11.881 -18.348 -7.475 83 H ALA 11 HN ALA 11 11.480 -20.968 -12.737 84 HA ALA 11 HA ALA 11 10.688 -22.967 -10.910 85 HB1 ALA 11 HB1 ALA 11 10.498 -24.405 -12.875 86 HB2 ALA 11 HB2 ALA 11 11.410 -23.235 -13.828 87 HB3 ALA 11 HB3 ALA 11 9.821 -22.809 -13.197 88 H GLU 12 HN GLU 12 13.715 -22.065 -12.229 89 HA GLU 12 HA GLU 12 15.287 -24.323 -11.932 90 HB2 GLU 12 HB2 GLU 12 16.003 -22.082 -12.810 91 HB3 GLU 12 HB1 GLU 12 16.024 -21.488 -11.156 92 HG2 GLU 12 HG2 GLU 12 17.720 -23.238 -10.632 93 HG3 GLU 12 HG1 GLU 12 17.776 -23.614 -12.354 94 H LYS 13 HN LYS 13 14.179 -21.989 -9.536 95 HA LYS 13 HA LYS 13 15.345 -23.551 -7.364 96 HB2 LYS 13 HB2 LYS 13 13.781 -20.965 -7.240 97 HB3 LYS 13 HB1 LYS 13 14.704 -21.696 -5.935 98 HG2 LYS 13 HG2 LYS 13 15.852 -20.621 -8.506 99 HG3 LYS 13 HG1 LYS 13 15.890 -19.811 -6.941 100 HD2 LYS 13 HD2 LYS 13 17.239 -21.621 -6.023 101 HD3 LYS 13 HD1 LYS 13 17.163 -22.473 -7.567 102 HE2 LYS 13 HE2 LYS 13 18.362 -20.660 -8.653 103 HE3 LYS 13 HE1 LYS 13 18.380 -19.742 -7.149 104 HZ1 LYS 13 HZ1 LYS 13 19.744 -22.338 -7.640 105 HZ2 LYS 13 HZ2 LYS 13 19.711 -21.527 -6.153 106 HZ3 LYS 13 HZ3 LYS 13 20.486 -20.819 -7.489 107 H GLY 14 HN GLY 14 12.301 -22.720 -8.850 108 HA2 GLY 14 HA2 GLY 14 10.448 -24.228 -8.760 109 HA3 GLY 14 HA1 GLY 14 10.993 -24.749 -7.173 110 H PHE 15 HN PHE 15 10.843 -21.377 -8.047 111 HA PHE 15 HA PHE 15 8.424 -20.997 -6.456 112 HB2 PHE 15 HB2 PHE 15 11.082 -19.711 -5.770 113 HB3 PHE 15 HB1 PHE 15 9.541 -19.284 -5.040 114 HD1 PHE 15 HD1 PHE 15 8.304 -21.070 -3.726 115 HD2 PHE 15 HD2 PHE 15 12.379 -21.445 -4.902 116 HE1 PHE 15 HE1 PHE 15 8.645 -22.784 -1.996 117 HE2 PHE 15 HE2 PHE 15 12.722 -23.165 -3.177 118 HZ PHE 15 HZ PHE 15 10.853 -23.837 -1.721 119 H GLY 16 HN GLY 16 8.448 -18.284 -6.204 120 HA2 GLY 16 HA2 GLY 16 8.671 -17.368 -9.009 121 HA3 GLY 16 HA1 GLY 16 7.473 -16.772 -7.865 122 H PHE 17 HN PHE 17 9.375 -15.195 -9.388 123 HA PHE 17 HA PHE 17 10.720 -13.913 -7.101 124 HB2 PHE 17 HB2 PHE 17 12.269 -15.194 -8.662 125 HB3 PHE 17 HB1 PHE 17 11.832 -14.041 -9.913 126 HD1 PHE 17 HD1 PHE 17 13.590 -14.507 -6.734 127 HD2 PHE 17 HD2 PHE 17 12.743 -11.839 -9.935 128 HE1 PHE 17 HE1 PHE 17 15.419 -13.042 -5.989 129 HE2 PHE 17 HE2 PHE 17 14.568 -10.367 -9.197 130 HZ PHE 17 HZ PHE 17 15.910 -10.967 -7.222 131 H ILE 18 HN ILE 18 10.365 -11.744 -6.947 132 HA ILE 18 HA ILE 18 9.056 -10.373 -9.198 133 HB ILE 18 HB ILE 18 8.044 -10.375 -6.344 134 HG12 ILE 18 HG12 ILE 18 6.821 -11.408 -8.910 135 HG13 ILE 18 HG11 ILE 18 7.397 -12.378 -7.556 136 HG21 ILE 18 HG21 ILE 18 7.006 -8.842 -8.724 137 HG22 ILE 18 HG22 ILE 18 7.848 -8.154 -7.336 138 HG23 ILE 18 HG23 ILE 18 6.264 -8.900 -7.126 139 HD11 ILE 18 HD11 ILE 18 5.074 -10.465 -7.504 140 HD12 ILE 18 HD12 ILE 18 5.655 -11.416 -6.137 141 HD13 ILE 18 HD13 ILE 18 4.981 -12.225 -7.550 142 H GLU 19 HN GLU 19 9.364 -8.115 -9.250 143 HA GLU 19 HA GLU 19 11.527 -7.203 -7.497 144 HB2 GLU 19 HB2 GLU 19 11.887 -5.407 -9.146 145 HB3 GLU 19 HB1 GLU 19 12.073 -7.011 -9.837 146 HG2 GLU 19 HG2 GLU 19 9.945 -6.847 -10.924 147 HG3 GLU 19 HG1 GLU 19 9.597 -5.322 -10.107 148 H ARG 20 HN ARG 20 11.192 -5.739 -6.003 149 HA ARG 20 HA ARG 20 8.693 -4.178 -6.075 150 HB2 ARG 20 HB2 ARG 20 8.757 -5.892 -4.279 151 HB3 ARG 20 HB1 ARG 20 10.227 -5.167 -3.655 152 HG2 ARG 20 HG2 ARG 20 8.471 -4.439 -2.270 153 HG3 ARG 20 HG1 ARG 20 8.907 -3.064 -3.282 154 HD2 ARG 20 HD2 ARG 20 6.665 -4.922 -4.016 155 HD3 ARG 20 HD1 ARG 20 6.416 -3.565 -2.922 156 HE ARG 20 HE ARG 20 6.934 -3.440 -5.789 157 HH11 ARG 20 HH11 ARG 20 6.589 -1.721 -2.755 158 HH12 ARG 20 HH12 ARG 20 6.226 -0.193 -3.504 159 HH21 ARG 20 HH21 ARG 20 6.423 -1.434 -6.788 160 HH22 ARG 20 HH22 ARG 20 6.093 -0.046 -5.799 161 H GLU 21 HN GLU 21 8.874 -2.041 -5.047 162 HA GLU 21 HA GLU 21 11.058 -0.574 -6.020 163 HB2 GLU 21 HB2 GLU 21 8.808 0.347 -5.675 164 HB3 GLU 21 HB1 GLU 21 9.004 0.181 -3.939 165 HG2 GLU 21 HG2 GLU 21 10.776 1.817 -3.944 166 HG3 GLU 21 HG1 GLU 21 10.685 1.941 -5.703 167 H ASN 22 HN ASN 22 10.379 -1.973 -2.885 168 HA ASN 22 HA ASN 22 12.496 -0.621 -1.504 169 HB2 ASN 22 HB2 ASN 22 11.147 -3.185 -0.633 170 HB3 ASN 22 HB1 ASN 22 11.946 -1.994 0.382 171 HD21 ASN 22 HD21 ASN 22 10.327 -1.433 1.700 172 HD22 ASN 22 HD22 ASN 22 8.829 -0.737 1.176 173 H GLY 23 HN GLY 23 12.338 -3.222 -3.638 174 HA2 GLY 23 HA2 GLY 23 14.992 -3.819 -3.833 175 HA3 GLY 23 HA1 GLY 23 14.414 -4.858 -2.536 176 H ASP 24 HN ASP 24 15.187 -5.040 -5.612 177 HA ASP 24 HA ASP 24 12.786 -6.447 -6.515 178 HB2 ASP 24 HB2 ASP 24 13.947 -6.463 -8.738 179 HB3 ASP 24 HB1 ASP 24 13.600 -4.859 -8.105 180 H ASP 25 HN ASP 25 13.695 -7.883 -4.631 181 HA ASP 25 HA ASP 25 14.776 -10.242 -5.925 182 HB2 ASP 25 HB2 ASP 25 16.426 -10.580 -4.036 183 HB3 ASP 25 HB1 ASP 25 16.835 -9.299 -5.170 184 H VAL 26 HN VAL 26 12.214 -9.690 -5.066 185 HA VAL 26 HA VAL 26 11.862 -10.821 -2.413 186 HB VAL 26 HB VAL 26 9.756 -9.965 -4.406 187 HG11 VAL 26 HG11 VAL 26 8.905 -11.464 -2.697 188 HG12 VAL 26 HG12 VAL 26 8.295 -9.830 -2.442 189 HG13 VAL 26 HG13 VAL 26 9.602 -10.451 -1.436 190 HG21 VAL 26 HG21 VAL 26 11.206 -8.088 -3.861 191 HG22 VAL 26 HG22 VAL 26 10.987 -8.399 -2.140 192 HG23 VAL 26 HG23 VAL 26 9.619 -7.880 -3.125 193 H PHE 27 HN PHE 27 11.699 -12.934 -2.100 194 HA PHE 27 HA PHE 27 11.206 -14.702 -4.356 195 HB2 PHE 27 HB2 PHE 27 11.954 -15.288 -1.483 196 HB3 PHE 27 HB1 PHE 27 11.747 -16.515 -2.729 197 HD1 PHE 27 HD2 PHE 27 13.305 -16.584 -4.656 198 HD2 PHE 27 HD1 PHE 27 13.940 -14.008 -1.328 199 HE1 PHE 27 HE2 PHE 27 15.654 -16.303 -5.325 200 HE2 PHE 27 HE1 PHE 27 16.291 -13.723 -1.994 201 HZ PHE 27 HZ PHE 27 17.150 -14.871 -3.994 202 H VAL 28 HN VAL 28 9.297 -15.520 -4.819 203 HA VAL 28 HA VAL 28 7.091 -15.147 -2.946 204 HB VAL 28 HB VAL 28 6.999 -16.167 -5.790 205 HG11 VAL 28 HG11 VAL 28 4.632 -15.570 -5.691 206 HG12 VAL 28 HG12 VAL 28 4.824 -15.076 -4.009 207 HG13 VAL 28 HG13 VAL 28 5.043 -16.766 -4.462 208 HG21 VAL 28 HG21 VAL 28 6.300 -13.893 -6.401 209 HG22 VAL 28 HG22 VAL 28 7.936 -13.931 -5.744 210 HG23 VAL 28 HG23 VAL 28 6.598 -13.369 -4.743 211 H HIS 29 HN HIS 29 6.254 -16.748 -1.779 212 HA HIS 29 HA HIS 29 7.262 -19.454 -2.176 213 HB2 HIS 29 HB2 HIS 29 5.638 -18.179 0.028 214 HB3 HIS 29 HB1 HIS 29 5.970 -19.906 -0.031 215 HD1 HIS 29 HD1 HIS 29 8.356 -20.681 0.576 216 HD2 HIS 29 HD2 HIS 29 7.837 -16.555 0.698 217 HE1 HIS 29 HE1 HIS 29 10.384 -19.776 1.748 218 HE2 HIS 29 HE2 HIS 29 9.926 -17.316 2.026 219 H PHE 30 HN PHE 30 5.909 -21.259 -2.443 220 HA PHE 30 HA PHE 30 3.777 -20.774 -4.280 221 HB2 PHE 30 HB2 PHE 30 5.391 -22.707 -4.382 222 HB3 PHE 30 HB1 PHE 30 4.566 -23.395 -2.990 223 HD1 PHE 30 HD1 PHE 30 4.023 -22.288 -6.484 224 HD2 PHE 30 HD2 PHE 30 2.688 -24.744 -3.276 225 HE1 PHE 30 HE1 PHE 30 2.422 -23.384 -7.994 226 HE2 PHE 30 HE2 PHE 30 1.083 -25.844 -4.781 227 HZ PHE 30 HZ PHE 30 0.949 -25.165 -7.144 228 H SER 31 HN SER 31 3.992 -21.198 -0.891 229 HA SER 31 HA SER 31 1.271 -22.051 -0.512 230 HB2 SER 31 HB2 SER 31 3.094 -22.633 1.080 231 HB3 SER 31 HB1 SER 31 3.247 -20.928 1.496 232 HG SER 31 HG SER 31 0.681 -21.923 1.695 233 H ALA 32 HN ALA 32 2.800 -19.094 -1.175 234 HA ALA 32 HA ALA 32 0.766 -17.516 0.235 235 HB1 ALA 32 HB1 ALA 32 2.224 -15.609 -0.119 236 HB2 ALA 32 HB2 ALA 32 3.324 -16.600 -1.073 237 HB3 ALA 32 HB3 ALA 32 3.105 -16.929 0.645 238 H ILE 33 HN ILE 33 1.575 -18.604 -2.893 239 HA ILE 33 HA ILE 33 0.446 -16.430 -4.372 240 HB ILE 33 HB ILE 33 2.121 -17.962 -5.359 241 HG12 ILE 33 HG12 ILE 33 0.996 -18.289 -7.551 242 HG13 ILE 33 HG11 ILE 33 -0.550 -17.936 -6.784 243 HG21 ILE 33 HG21 ILE 33 1.461 -20.196 -6.113 244 HG22 ILE 33 HG22 ILE 33 -0.095 -20.005 -5.306 245 HG23 ILE 33 HG23 ILE 33 1.390 -20.050 -4.355 246 HD11 ILE 33 HD11 ILE 33 0.304 -16.008 -7.977 247 HD12 ILE 33 HD12 ILE 33 1.782 -16.047 -7.016 248 HD13 ILE 33 HD13 ILE 33 0.238 -15.688 -6.243 249 H GLN 34 HN GLN 34 -1.588 -16.334 -5.372 250 HA GLN 34 HA GLN 34 -3.628 -17.900 -3.992 251 HB2 GLN 34 HB2 GLN 34 -5.224 -16.262 -4.851 252 HB3 GLN 34 HB1 GLN 34 -3.907 -15.464 -4.004 253 HG2 GLN 34 HG2 GLN 34 -2.986 -14.622 -5.963 254 HG3 GLN 34 HG1 GLN 34 -3.824 -15.798 -6.975 255 HE21 GLN 34 HE21 GLN 34 -5.966 -15.444 -7.525 256 HE22 GLN 34 HE22 GLN 34 -6.741 -13.907 -7.319 257 H GLY 35 HN GLY 35 -5.294 -18.988 -5.110 258 HA2 GLY 35 HA2 GLY 35 -4.534 -20.123 -7.640 259 HA3 GLY 35 HA1 GLY 35 -6.044 -20.403 -6.777 260 H ASP 36 HN ASP 36 -4.366 -18.353 -9.036 261 HA ASP 36 HA ASP 36 -6.664 -16.665 -9.535 262 HB2 ASP 36 HB2 ASP 36 -4.403 -15.738 -9.691 263 HB3 ASP 36 HB1 ASP 36 -3.989 -16.904 -10.941 264 H GLY 37 HN GLY 37 -5.522 -19.652 -10.542 265 HA2 GLY 37 HA2 GLY 37 -7.421 -20.729 -11.984 266 HA3 GLY 37 HA1 GLY 37 -6.800 -19.583 -13.171 267 H PHE 38 HN PHE 38 -4.143 -19.634 -12.504 268 HA PHE 38 HA PHE 38 -3.311 -22.431 -12.869 269 HB2 PHE 38 HB2 PHE 38 -3.041 -20.917 -14.903 270 HB3 PHE 38 HB1 PHE 38 -1.860 -20.012 -13.964 271 HD1 PHE 38 HD1 PHE 38 -2.608 -23.478 -15.096 272 HD2 PHE 38 HD2 PHE 38 0.368 -20.611 -14.079 273 HE1 PHE 38 HE1 PHE 38 -0.855 -25.047 -15.821 274 HE2 PHE 38 HE2 PHE 38 2.124 -22.174 -14.802 275 HZ PHE 38 HZ PHE 38 1.515 -24.395 -15.674 276 H LYS 39 HN LYS 39 -1.266 -22.950 -11.834 277 HA LYS 39 HA LYS 39 -1.027 -21.494 -9.337 278 HB2 LYS 39 HB2 LYS 39 0.484 -23.427 -8.708 279 HB3 LYS 39 HB1 LYS 39 -1.193 -23.826 -9.037 280 HG2 LYS 39 HG2 LYS 39 -0.018 -25.527 -10.073 281 HG3 LYS 39 HG1 LYS 39 -0.372 -24.426 -11.400 282 HD2 LYS 39 HD2 LYS 39 1.871 -23.502 -11.258 283 HD3 LYS 39 HD1 LYS 39 2.227 -24.533 -9.872 284 HE2 LYS 39 HE2 LYS 39 1.916 -26.515 -11.268 285 HE3 LYS 39 HE1 LYS 39 1.547 -25.486 -12.650 286 HZ1 LYS 39 HZ1 LYS 39 3.787 -24.538 -12.446 287 HZ2 LYS 39 HZ2 LYS 39 3.823 -26.202 -12.754 288 HZ3 LYS 39 HZ3 LYS 39 4.136 -25.624 -11.191 289 H SER 40 HN SER 40 0.021 -20.371 -11.851 290 HA SER 40 HA SER 40 2.559 -19.503 -10.783 291 HB2 SER 40 HB2 SER 40 2.399 -20.739 -13.550 292 HB3 SER 40 HB1 SER 40 3.817 -19.952 -12.853 293 HG SER 40 HG SER 40 3.028 -21.768 -11.112 294 H LEU 41 HN LEU 41 3.350 -17.575 -11.951 295 HA LEU 41 HA LEU 41 1.073 -16.085 -13.060 296 HB2 LEU 41 HB2 LEU 41 3.546 -15.101 -11.631 297 HB3 LEU 41 HB1 LEU 41 2.315 -14.061 -12.320 298 HG LEU 41 HG LEU 41 1.864 -16.032 -10.077 299 HD11 LEU 41 HD11 LEU 41 2.077 -13.026 -10.036 300 HD12 LEU 41 HD12 LEU 41 3.268 -14.157 -9.400 301 HD13 LEU 41 HD13 LEU 41 1.672 -14.055 -8.663 302 HD21 LEU 41 HD21 LEU 41 -0.313 -14.923 -9.869 303 HD22 LEU 41 HD22 LEU 41 -0.124 -15.700 -11.442 304 HD23 LEU 41 HD23 LEU 41 0.052 -13.951 -11.294 305 H ASP 42 HN ASP 42 1.862 -14.179 -14.459 306 HA ASP 42 HA ASP 42 3.574 -15.275 -16.560 307 HB2 ASP 42 HB2 ASP 42 1.794 -12.827 -16.455 308 HB3 ASP 42 HB1 ASP 42 2.784 -13.255 -17.843 309 H GLU 43 HN GLU 43 5.656 -14.707 -16.698 310 HA GLU 43 HA GLU 43 6.769 -12.748 -14.979 311 HB2 GLU 43 HB2 GLU 43 8.864 -13.117 -16.442 312 HB3 GLU 43 HB1 GLU 43 8.281 -14.438 -15.447 313 HG2 GLU 43 HG2 GLU 43 8.692 -15.565 -17.365 314 HG3 GLU 43 HG1 GLU 43 7.024 -15.102 -17.669 315 H GLY 44 HN GLY 44 6.779 -10.655 -15.183 316 HA2 GLY 44 HA2 GLY 44 7.323 -8.713 -16.552 317 HA3 GLY 44 HA1 GLY 44 6.518 -9.512 -17.893 318 H GLN 45 HN GLN 45 4.545 -10.258 -15.445 319 HA GLN 45 HA GLN 45 2.819 -7.962 -16.016 320 HB2 GLN 45 HB2 GLN 45 0.987 -9.304 -15.556 321 HB3 GLN 45 HB1 GLN 45 2.118 -10.460 -16.240 322 HG2 GLN 45 HG2 GLN 45 2.766 -11.088 -13.913 323 HG3 GLN 45 HG1 GLN 45 1.459 -10.057 -13.334 324 HE21 GLN 45 HE21 GLN 45 -0.202 -10.806 -15.705 325 HE22 GLN 45 HE22 GLN 45 -0.779 -12.398 -15.354 326 H ALA 46 HN ALA 46 1.541 -7.027 -14.237 327 HA ALA 46 HA ALA 46 3.231 -6.742 -11.858 328 HB1 ALA 46 HB1 ALA 46 2.589 -4.697 -13.086 329 HB2 ALA 46 HB2 ALA 46 2.012 -4.703 -11.419 330 HB3 ALA 46 HB3 ALA 46 0.896 -5.051 -12.738 331 H VAL 47 HN VAL 47 2.572 -7.334 -9.865 332 HA VAL 47 HA VAL 47 -0.237 -8.090 -9.475 333 HB VAL 47 HB VAL 47 0.446 -10.071 -8.146 334 HG11 VAL 47 HG11 VAL 47 -0.278 -10.351 -10.458 335 HG12 VAL 47 HG12 VAL 47 0.960 -11.534 -10.033 336 HG13 VAL 47 HG13 VAL 47 1.382 -10.128 -11.013 337 HG21 VAL 47 HG21 VAL 47 2.722 -10.973 -8.426 338 HG22 VAL 47 HG22 VAL 47 2.709 -9.426 -7.577 339 HG23 VAL 47 HG23 VAL 47 3.182 -9.497 -9.277 340 H THR 48 HN THR 48 -0.741 -8.359 -7.121 341 HA THR 48 HA THR 48 0.777 -6.355 -5.582 342 HB THR 48 HB THR 48 -2.042 -7.288 -5.021 343 HG1 THR 48 HG1 THR 48 -1.467 -6.175 -7.186 344 HG21 THR 48 HG21 THR 48 -0.535 -4.780 -4.262 345 HG22 THR 48 HG22 THR 48 -0.908 -6.128 -3.188 346 HG23 THR 48 HG23 THR 48 -2.210 -5.138 -3.847 347 H PHE 49 HN PHE 49 1.409 -6.880 -3.451 348 HA PHE 49 HA PHE 49 0.639 -9.390 -2.273 349 HB2 PHE 49 HB2 PHE 49 2.945 -10.315 -2.175 350 HB3 PHE 49 HB1 PHE 49 2.311 -10.237 -3.814 351 HD1 PHE 49 HD2 PHE 49 3.165 -8.565 -5.393 352 HD2 PHE 49 HD1 PHE 49 4.845 -9.033 -1.512 353 HE1 PHE 49 HE2 PHE 49 5.150 -7.305 -6.108 354 HE2 PHE 49 HE1 PHE 49 6.838 -7.777 -2.220 355 HZ PHE 49 HZ PHE 49 6.993 -6.910 -4.521 356 H ASP 50 HN ASP 50 1.832 -9.751 -0.177 357 HA ASP 50 HA ASP 50 2.716 -7.180 0.974 358 HB2 ASP 50 HB2 ASP 50 1.619 -9.667 2.294 359 HB3 ASP 50 HB1 ASP 50 2.381 -8.362 3.200 360 H VAL 51 HN VAL 51 4.858 -6.957 0.894 361 HA VAL 51 HA VAL 51 6.523 -9.331 0.833 362 HB VAL 51 HB VAL 51 7.092 -7.561 -0.718 363 HG11 VAL 51 HG11 VAL 51 7.975 -5.402 0.030 364 HG12 VAL 51 HG12 VAL 51 7.583 -5.823 1.697 365 HG13 VAL 51 HG13 VAL 51 6.294 -5.624 0.510 366 HG21 VAL 51 HG21 VAL 51 9.158 -7.875 1.449 367 HG22 VAL 51 HG22 VAL 51 9.475 -7.305 -0.189 368 HG23 VAL 51 HG23 VAL 51 8.902 -8.952 0.077 369 H GLU 52 HN GLU 52 7.102 -10.294 2.625 370 HA GLU 52 HA GLU 52 7.631 -8.645 5.005 371 HB2 GLU 52 HB2 GLU 52 6.885 -11.570 4.841 372 HB3 GLU 52 HB1 GLU 52 7.228 -10.690 6.324 373 HG2 GLU 52 HG2 GLU 52 5.303 -9.196 5.793 374 HG3 GLU 52 HG1 GLU 52 4.925 -10.260 4.438 375 H GLU 53 HN GLU 53 9.626 -8.624 5.821 376 HA GLU 53 HA GLU 53 11.704 -10.096 4.471 377 HB2 GLU 53 HB2 GLU 53 11.783 -8.147 6.781 378 HB3 GLU 53 HB1 GLU 53 13.211 -8.865 6.041 379 HG2 GLU 53 HG2 GLU 53 12.775 -7.804 3.964 380 HG3 GLU 53 HG1 GLU 53 11.184 -7.271 4.501 381 H GLY 54 HN GLY 54 12.180 -12.101 4.959 382 HA2 GLY 54 HA2 GLY 54 11.105 -13.222 7.424 383 HA3 GLY 54 HA1 GLY 54 11.657 -14.124 6.026 384 H GLN 55 HN GLN 55 12.903 -15.525 7.160 385 HA GLN 55 HA GLN 55 14.592 -14.937 9.289 386 HB2 GLN 55 HB2 GLN 55 14.854 -17.173 7.271 387 HB3 GLN 55 HB1 GLN 55 15.613 -17.127 8.857 388 HG2 GLN 55 HG2 GLN 55 12.649 -17.203 8.312 389 HG3 GLN 55 HG1 GLN 55 13.643 -18.549 8.870 390 HE21 GLN 55 HE21 GLN 55 14.349 -18.599 10.987 391 HE22 GLN 55 HE22 GLN 55 13.695 -17.555 12.212 392 H ARG 56 HN ARG 56 15.219 -14.910 5.830 393 HA ARG 56 HA ARG 56 17.863 -13.773 6.416 394 HB2 ARG 56 HB2 ARG 56 17.091 -15.703 4.237 395 HB3 ARG 56 HB1 ARG 56 18.546 -14.723 4.149 396 HG2 ARG 56 HG2 ARG 56 19.271 -15.711 6.314 397 HG3 ARG 56 HG1 ARG 56 17.878 -16.790 6.230 398 HD2 ARG 56 HD2 ARG 56 18.693 -17.776 4.205 399 HD3 ARG 56 HD1 ARG 56 19.988 -16.588 4.095 400 HE ARG 56 HE ARG 56 20.164 -18.031 6.536 401 HH11 ARG 56 HH11 ARG 56 20.741 -18.313 3.091 402 HH12 ARG 56 HH12 ARG 56 21.994 -19.504 3.271 403 HH21 ARG 56 HH21 ARG 56 21.828 -19.573 6.778 404 HH22 ARG 56 HH22 ARG 56 22.628 -20.217 5.375 405 H GLY 57 HN GLY 57 15.561 -14.010 3.673 406 HA2 GLY 57 HA2 GLY 57 16.090 -11.142 3.219 407 HA3 GLY 57 HA1 GLY 57 16.000 -12.296 1.898 408 HA PRO 58 HA PRO 58 11.778 -10.309 2.713 409 HB2 PRO 58 HB2 PRO 58 12.128 -9.297 -0.023 410 HB3 PRO 58 HB1 PRO 58 11.636 -8.432 1.435 411 HG2 PRO 58 HG2 PRO 58 14.046 -8.054 0.310 412 HG3 PRO 58 HG1 PRO 58 13.810 -7.993 2.068 413 HD2 PRO 58 HD2 PRO 58 14.919 -10.201 0.378 414 HD3 PRO 58 HD1 PRO 58 15.473 -9.601 1.956 415 H GLN 59 HN GLN 59 10.148 -11.618 2.317 416 HA GLN 59 HA GLN 59 10.113 -13.110 -0.210 417 HB2 GLN 59 HB2 GLN 59 8.990 -14.965 1.104 418 HB3 GLN 59 HB1 GLN 59 10.711 -14.742 1.379 419 HG2 GLN 59 HG2 GLN 59 10.151 -13.446 3.429 420 HG3 GLN 59 HG1 GLN 59 8.458 -13.875 3.178 421 HE21 GLN 59 HE21 GLN 59 8.400 -14.986 5.150 422 HE22 GLN 59 HE22 GLN 59 9.143 -16.548 5.331 423 H ALA 60 HN ALA 60 8.126 -13.459 -1.147 424 HA ALA 60 HA ALA 60 6.203 -11.403 -0.483 425 HB1 ALA 60 HB1 ALA 60 5.143 -11.999 -2.605 426 HB2 ALA 60 HB2 ALA 60 6.257 -13.357 -2.778 427 HB3 ALA 60 HB3 ALA 60 6.871 -11.704 -2.803 428 H ALA 61 HN ALA 61 4.601 -11.759 0.863 429 HA ALA 61 HA ALA 61 3.319 -14.410 0.859 430 HB1 ALA 61 HB1 ALA 61 2.732 -14.034 3.200 431 HB2 ALA 61 HB2 ALA 61 3.557 -12.475 3.165 432 HB3 ALA 61 HB3 ALA 61 4.479 -13.966 2.973 433 H ASN 62 HN ASN 62 1.046 -14.420 0.970 434 HA ASN 62 HA ASN 62 -1.034 -13.743 0.367 435 HB2 ASN 62 HB2 ASN 62 -0.308 -10.978 1.353 436 HB3 ASN 62 HB1 ASN 62 -1.906 -11.712 1.272 437 HD21 ASN 62 HD21 ASN 62 0.977 -11.342 3.079 438 HD22 ASN 62 HD22 ASN 62 0.491 -12.235 4.482 439 H VAL 63 HN VAL 63 -0.735 -13.968 -1.853 440 HA VAL 63 HA VAL 63 0.113 -11.569 -3.319 441 HB VAL 63 HB VAL 63 -0.187 -14.397 -4.351 442 HG11 VAL 63 HG11 VAL 63 1.017 -11.946 -5.635 443 HG12 VAL 63 HG12 VAL 63 -0.485 -12.742 -6.104 444 HG13 VAL 63 HG13 VAL 63 1.055 -13.577 -6.304 445 HG21 VAL 63 HG21 VAL 63 2.271 -14.440 -4.364 446 HG22 VAL 63 HG22 VAL 63 1.622 -14.261 -2.736 447 HG23 VAL 63 HG23 VAL 63 2.294 -12.864 -3.575 448 H GLN 64 HN GLN 64 -1.187 -10.535 -4.692 449 HA GLN 64 HA GLN 64 -3.918 -11.552 -5.125 450 HB2 GLN 64 HB2 GLN 64 -3.948 -9.783 -3.425 451 HB3 GLN 64 HB1 GLN 64 -3.077 -8.712 -4.512 452 HG2 GLN 64 HG2 GLN 64 -5.005 -8.866 -6.084 453 HG3 GLN 64 HG1 GLN 64 -5.876 -9.755 -4.834 454 HE21 GLN 64 HE21 GLN 64 -4.582 -6.682 -5.799 455 HE22 GLN 64 HE22 GLN 64 -5.386 -5.734 -4.597 456 H LYS 65 HN LYS 65 -4.532 -11.547 -7.216 457 HA LYS 65 HA LYS 65 -2.683 -10.806 -9.256 458 HB2 LYS 65 HB2 LYS 65 -4.406 -12.675 -9.367 459 HB3 LYS 65 HB1 LYS 65 -5.615 -11.428 -9.634 460 HG2 LYS 65 HG2 LYS 65 -4.976 -12.376 -11.742 461 HG3 LYS 65 HG1 LYS 65 -4.375 -10.718 -11.655 462 HD2 LYS 65 HD2 LYS 65 -2.159 -11.492 -11.120 463 HD3 LYS 65 HD1 LYS 65 -2.725 -13.163 -11.019 464 HE2 LYS 65 HE2 LYS 65 -2.637 -11.420 -13.476 465 HE3 LYS 65 HE1 LYS 65 -1.583 -12.784 -13.118 466 HZ1 LYS 65 HZ1 LYS 65 -3.089 -13.765 -14.481 467 HZ2 LYS 65 HZ2 LYS 65 -4.369 -12.764 -14.008 468 HZ3 LYS 65 HZ3 LYS 65 -3.877 -14.037 -13.002 469 H ALA 66 HN ALA 66 -2.649 -9.049 -10.592 470 HA ALA 66 HA ALA 66 -4.475 -6.849 -9.888 471 HB1 ALA 66 HB1 ALA 66 -2.748 -5.325 -10.663 472 HB2 ALA 66 HB2 ALA 66 -1.732 -6.685 -11.135 473 HB3 ALA 66 HB3 ALA 66 -2.098 -6.405 -9.433 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 1.656 -3.792 3.607 2 H2 MET 1 HT2 MET 1 2.137 -2.357 2.835 3 H3 MET 1 HT3 MET 1 3.169 -3.696 2.850 4 HA MET 1 HA MET 1 1.678 -4.953 1.491 5 HB2 MET 1 HB2 MET 1 -0.409 -3.895 2.336 6 HB3 MET 1 HB1 MET 1 -0.004 -2.433 1.445 7 HG2 MET 1 HG2 MET 1 -1.651 -3.748 0.255 8 HG3 MET 1 HG1 MET 1 -0.143 -3.659 -0.653 9 HE1 MET 1 HE1 MET 1 -2.449 -5.891 1.613 10 HE2 MET 1 HE2 MET 1 -0.924 -5.900 2.503 11 HE3 MET 1 HE3 MET 1 -1.504 -7.376 1.731 12 H GLU 2 HN GLU 2 2.864 -5.093 -0.288 13 HA GLU 2 HA GLU 2 3.900 -2.589 -1.453 14 HB2 GLU 2 HB2 GLU 2 5.310 -5.194 -1.823 15 HB3 GLU 2 HB1 GLU 2 5.973 -3.569 -1.750 16 HG2 GLU 2 HG2 GLU 2 4.900 -5.086 0.615 17 HG3 GLU 2 HG1 GLU 2 6.599 -5.012 0.161 18 H GLN 3 HN GLN 3 4.723 -3.051 -3.785 19 HA GLN 3 HA GLN 3 3.228 -5.124 -5.180 20 HB2 GLN 3 HB2 GLN 3 1.839 -3.023 -5.228 21 HB3 GLN 3 HB1 GLN 3 3.154 -2.236 -6.090 22 HG2 GLN 3 HG2 GLN 3 2.902 -3.730 -7.951 23 HG3 GLN 3 HG1 GLN 3 1.705 -4.681 -7.071 24 HE21 GLN 3 HE21 GLN 3 -0.371 -3.870 -6.796 25 HE22 GLN 3 HE22 GLN 3 -0.970 -2.535 -7.728 26 H GLY 4 HN GLY 4 4.229 -5.733 -7.173 27 HA2 GLY 4 HA2 GLY 4 6.591 -4.356 -8.073 28 HA3 GLY 4 HA1 GLY 4 6.963 -5.826 -7.186 29 H THR 5 HN THR 5 7.809 -5.677 -9.704 30 HA THR 5 HA THR 5 5.855 -7.093 -11.371 31 HB THR 5 HB THR 5 8.551 -6.077 -12.266 32 HG1 THR 5 HG1 THR 5 6.330 -4.517 -12.850 33 HG21 THR 5 HG21 THR 5 7.444 -5.980 -14.460 34 HG22 THR 5 HG22 THR 5 5.964 -6.607 -13.733 35 HG23 THR 5 HG23 THR 5 7.415 -7.608 -13.785 36 H VAL 6 HN VAL 6 6.087 -9.226 -11.771 37 HA VAL 6 HA VAL 6 8.116 -10.750 -10.490 38 HB VAL 6 HB VAL 6 6.283 -11.610 -12.741 39 HG11 VAL 6 HG11 VAL 6 7.846 -13.224 -10.726 40 HG12 VAL 6 HG12 VAL 6 8.132 -13.147 -12.465 41 HG13 VAL 6 HG13 VAL 6 6.653 -13.884 -11.846 42 HG21 VAL 6 HG21 VAL 6 5.007 -10.757 -10.851 43 HG22 VAL 6 HG22 VAL 6 5.899 -11.813 -9.757 44 HG23 VAL 6 HG23 VAL 6 4.835 -12.508 -10.978 45 H LYS 7 HN LYS 7 10.175 -10.792 -11.097 46 HA LYS 7 HA LYS 7 10.899 -9.912 -13.759 47 HB2 LYS 7 HB2 LYS 7 12.152 -9.000 -11.897 48 HB3 LYS 7 HB1 LYS 7 12.583 -10.613 -11.348 49 HG2 LYS 7 HG2 LYS 7 14.470 -9.627 -12.449 50 HG3 LYS 7 HG1 LYS 7 13.855 -10.947 -13.442 51 HD2 LYS 7 HD2 LYS 7 14.345 -9.141 -14.913 52 HD3 LYS 7 HD1 LYS 7 12.589 -9.225 -14.768 53 HE2 LYS 7 HE2 LYS 7 13.255 -6.924 -14.653 54 HE3 LYS 7 HE1 LYS 7 12.700 -7.426 -13.058 55 HZ1 LYS 7 HZ1 LYS 7 15.069 -7.774 -12.457 56 HZ2 LYS 7 HZ2 LYS 7 14.685 -6.160 -12.803 57 HZ3 LYS 7 HZ3 LYS 7 15.518 -7.101 -13.950 58 H TRP 8 HN TRP 8 11.118 -12.853 -11.800 59 HA TRP 8 HA TRP 8 11.715 -14.386 -14.200 60 HB2 TRP 8 HB2 TRP 8 13.882 -13.502 -13.026 61 HB3 TRP 8 HB1 TRP 8 13.535 -14.756 -11.843 62 HD1 TRP 8 HD1 TRP 8 13.958 -17.278 -12.565 63 HE1 TRP 8 HE1 TRP 8 15.176 -18.329 -14.576 64 HE3 TRP 8 HE3 TRP 8 14.324 -13.141 -15.540 65 HZ2 TRP 8 HZ2 TRP 8 16.157 -17.507 -17.094 66 HZ3 TRP 8 HZ3 TRP 8 15.415 -13.356 -17.734 67 HH2 TRP 8 HH2 TRP 8 16.313 -15.496 -18.493 68 H PHE 9 HN PHE 9 11.220 -16.597 -13.977 69 HA PHE 9 HA PHE 9 10.168 -17.405 -11.355 70 HB2 PHE 9 HB2 PHE 9 8.297 -16.780 -12.840 71 HB3 PHE 9 HB1 PHE 9 8.858 -17.949 -14.028 72 HD1 PHE 9 HD2 PHE 9 7.886 -17.812 -10.429 73 HD2 PHE 9 HD1 PHE 9 7.855 -20.007 -14.075 74 HE1 PHE 9 HE2 PHE 9 6.506 -19.550 -9.367 75 HE2 PHE 9 HE1 PHE 9 6.475 -21.748 -13.017 76 HZ PHE 9 HZ PHE 9 5.799 -21.521 -10.663 77 H ASN 10 HN ASN 10 11.930 -18.696 -10.859 78 HA ASN 10 HA ASN 10 12.873 -20.610 -12.805 79 HB2 ASN 10 HB2 ASN 10 14.345 -21.386 -10.854 80 HB3 ASN 10 HB1 ASN 10 14.631 -19.780 -11.507 81 HD21 ASN 10 HD21 ASN 10 13.473 -21.606 -8.804 82 HD22 ASN 10 HD22 ASN 10 13.430 -20.296 -7.683 83 H ALA 11 HN ALA 11 11.039 -21.776 -13.182 84 HA ALA 11 HA ALA 11 9.437 -22.974 -11.192 85 HB1 ALA 11 HB1 ALA 11 8.644 -22.492 -13.453 86 HB2 ALA 11 HB2 ALA 11 8.385 -24.178 -13.012 87 HB3 ALA 11 HB3 ALA 11 9.710 -23.743 -14.090 88 H GLU 12 HN GLU 12 12.389 -24.020 -12.725 89 HA GLU 12 HA GLU 12 11.962 -26.789 -12.069 90 HB2 GLU 12 HB2 GLU 12 14.521 -26.863 -12.696 91 HB3 GLU 12 HB1 GLU 12 13.276 -26.734 -13.926 92 HG2 GLU 12 HG2 GLU 12 15.062 -25.236 -14.447 93 HG3 GLU 12 HG1 GLU 12 13.639 -24.302 -13.994 94 H LYS 13 HN LYS 13 12.842 -24.144 -10.246 95 HA LYS 13 HA LYS 13 13.820 -26.012 -8.195 96 HB2 LYS 13 HB2 LYS 13 14.623 -23.123 -8.553 97 HB3 LYS 13 HB1 LYS 13 15.012 -24.088 -7.133 98 HG2 LYS 13 HG2 LYS 13 16.081 -25.728 -8.788 99 HG3 LYS 13 HG1 LYS 13 16.002 -24.397 -9.942 100 HD2 LYS 13 HD2 LYS 13 17.356 -24.283 -7.249 101 HD3 LYS 13 HD1 LYS 13 18.181 -24.550 -8.783 102 HE2 LYS 13 HE2 LYS 13 17.414 -22.361 -9.568 103 HE3 LYS 13 HE1 LYS 13 16.588 -22.101 -8.032 104 HZ1 LYS 13 HZ1 LYS 13 18.718 -20.990 -8.045 105 HZ2 LYS 13 HZ2 LYS 13 19.519 -22.439 -8.410 106 HZ3 LYS 13 HZ3 LYS 13 18.741 -22.254 -6.914 107 H GLY 14 HN GLY 14 11.353 -24.019 -9.162 108 HA2 GLY 14 HA2 GLY 14 9.287 -23.774 -8.189 109 HA3 GLY 14 HA1 GLY 14 9.886 -24.663 -6.802 110 H PHE 15 HN PHE 15 10.873 -21.549 -8.235 111 HA PHE 15 HA PHE 15 9.810 -20.169 -5.896 112 HB2 PHE 15 HB2 PHE 15 12.715 -20.050 -6.729 113 HB3 PHE 15 HB1 PHE 15 11.959 -18.815 -5.735 114 HD1 PHE 15 HD1 PHE 15 10.824 -19.643 -3.550 115 HD2 PHE 15 HD2 PHE 15 13.728 -21.866 -5.729 116 HE1 PHE 15 HE1 PHE 15 11.337 -20.947 -1.527 117 HE2 PHE 15 HE2 PHE 15 14.244 -23.176 -3.711 118 HZ PHE 15 HZ PHE 15 13.049 -22.718 -1.605 119 H GLY 16 HN GLY 16 9.289 -18.017 -6.278 120 HA2 GLY 16 HA2 GLY 16 9.662 -17.129 -9.076 121 HA3 GLY 16 HA1 GLY 16 8.313 -16.645 -8.053 122 H PHE 17 HN PHE 17 10.571 -15.154 -9.484 123 HA PHE 17 HA PHE 17 11.626 -13.740 -7.125 124 HB2 PHE 17 HB2 PHE 17 13.324 -14.807 -8.600 125 HB3 PHE 17 HB1 PHE 17 12.755 -13.813 -9.935 126 HD1 PHE 17 HD1 PHE 17 14.360 -13.695 -6.606 127 HD2 PHE 17 HD2 PHE 17 13.522 -11.608 -10.221 128 HE1 PHE 17 HE1 PHE 17 15.934 -11.923 -5.945 129 HE2 PHE 17 HE2 PHE 17 15.096 -9.835 -9.564 130 HZ PHE 17 HZ PHE 17 16.305 -9.993 -7.426 131 H ILE 18 HN ILE 18 11.201 -11.623 -6.887 132 HA ILE 18 HA ILE 18 9.649 -10.300 -9.013 133 HB ILE 18 HB ILE 18 9.098 -10.103 -6.045 134 HG12 ILE 18 HG12 ILE 18 7.492 -11.501 -8.201 135 HG13 ILE 18 HG11 ILE 18 8.490 -12.315 -7.000 136 HG21 ILE 18 HG21 ILE 18 7.058 -8.912 -6.757 137 HG22 ILE 18 HG22 ILE 18 7.628 -8.973 -8.424 138 HG23 ILE 18 HG23 ILE 18 8.533 -8.062 -7.217 139 HD11 ILE 18 HD11 ILE 18 6.054 -10.638 -6.445 140 HD12 ILE 18 HD12 ILE 18 7.067 -11.411 -5.224 141 HD13 ILE 18 HD13 ILE 18 6.158 -12.396 -6.371 142 H GLU 19 HN GLU 19 9.955 -8.128 -9.278 143 HA GLU 19 HA GLU 19 12.207 -6.934 -7.802 144 HB2 GLU 19 HB2 GLU 19 12.724 -7.197 -10.143 145 HB3 GLU 19 HB1 GLU 19 11.195 -6.467 -10.613 146 HG2 GLU 19 HG2 GLU 19 11.921 -4.338 -9.659 147 HG3 GLU 19 HG1 GLU 19 13.456 -5.074 -9.204 148 H ARG 20 HN ARG 20 11.807 -5.161 -6.620 149 HA ARG 20 HA ARG 20 9.309 -3.683 -7.138 150 HB2 ARG 20 HB2 ARG 20 10.758 -4.022 -4.505 151 HB3 ARG 20 HB1 ARG 20 9.340 -3.017 -4.758 152 HG2 ARG 20 HG2 ARG 20 8.042 -5.019 -5.330 153 HG3 ARG 20 HG1 ARG 20 9.470 -6.013 -5.020 154 HD2 ARG 20 HD2 ARG 20 7.981 -4.283 -3.051 155 HD3 ARG 20 HD1 ARG 20 8.082 -6.045 -3.062 156 HE ARG 20 HE ARG 20 10.594 -5.585 -2.747 157 HH11 ARG 20 HH11 ARG 20 8.016 -3.650 -1.388 158 HH12 ARG 20 HH12 ARG 20 8.954 -3.089 -0.048 159 HH21 ARG 20 HH21 ARG 20 11.865 -4.817 -1.003 160 HH22 ARG 20 HH22 ARG 20 11.170 -3.732 0.162 161 H GLU 21 HN GLU 21 9.437 -1.376 -6.425 162 HA GLU 21 HA GLU 21 11.605 -0.049 -7.648 163 HB2 GLU 21 HB2 GLU 21 9.276 0.835 -7.387 164 HB3 GLU 21 HB1 GLU 21 9.605 1.078 -5.679 165 HG2 GLU 21 HG2 GLU 21 9.837 3.162 -6.827 166 HG3 GLU 21 HG1 GLU 21 11.428 2.626 -6.288 167 H ASN 22 HN ASN 22 10.872 -0.875 -4.320 168 HA ASN 22 HA ASN 22 13.254 0.563 -3.392 169 HB2 ASN 22 HB2 ASN 22 10.894 0.884 -2.361 170 HB3 ASN 22 HB1 ASN 22 11.179 -0.673 -1.592 171 HD21 ASN 22 HD21 ASN 22 12.599 -0.799 0.119 172 HD22 ASN 22 HD22 ASN 22 13.331 0.593 0.841 173 H GLY 23 HN GLY 23 13.096 -2.159 -4.748 174 HA2 GLY 23 HA2 GLY 23 15.229 -3.410 -3.646 175 HA3 GLY 23 HA1 GLY 23 13.895 -4.014 -2.677 176 H ASP 24 HN ASP 24 15.640 -4.321 -5.561 177 HA ASP 24 HA ASP 24 13.596 -5.923 -6.875 178 HB2 ASP 24 HB2 ASP 24 15.205 -6.035 -8.744 179 HB3 ASP 24 HB1 ASP 24 14.854 -4.379 -8.268 180 H ASP 25 HN ASP 25 13.995 -7.221 -4.709 181 HA ASP 25 HA ASP 25 15.218 -9.679 -5.529 182 HB2 ASP 25 HB2 ASP 25 17.198 -8.459 -4.673 183 HB3 ASP 25 HB1 ASP 25 16.384 -8.241 -3.130 184 H VAL 26 HN VAL 26 12.935 -10.102 -5.280 185 HA VAL 26 HA VAL 26 12.251 -10.775 -2.494 186 HB VAL 26 HB VAL 26 10.283 -9.801 -4.581 187 HG11 VAL 26 HG11 VAL 26 9.911 -10.472 -1.665 188 HG12 VAL 26 HG12 VAL 26 9.278 -11.375 -3.043 189 HG13 VAL 26 HG13 VAL 26 8.689 -9.746 -2.709 190 HG21 VAL 26 HG21 VAL 26 11.698 -7.971 -3.829 191 HG22 VAL 26 HG22 VAL 26 11.347 -8.370 -2.147 192 HG23 VAL 26 HG23 VAL 26 10.060 -7.791 -3.204 193 H PHE 27 HN PHE 27 11.369 -12.792 -2.193 194 HA PHE 27 HA PHE 27 11.096 -14.453 -4.618 195 HB2 PHE 27 HB2 PHE 27 11.967 -15.250 -1.835 196 HB3 PHE 27 HB1 PHE 27 11.665 -16.387 -3.145 197 HD1 PHE 27 HD2 PHE 27 13.157 -16.481 -5.078 198 HD2 PHE 27 HD1 PHE 27 13.955 -13.916 -1.776 199 HE1 PHE 27 HE2 PHE 27 15.480 -16.216 -5.850 200 HE2 PHE 27 HE1 PHE 27 16.276 -13.644 -2.545 201 HZ PHE 27 HZ PHE 27 17.042 -14.797 -4.581 202 H VAL 28 HN VAL 28 9.125 -15.198 -5.037 203 HA VAL 28 HA VAL 28 7.109 -15.040 -2.919 204 HB VAL 28 HB VAL 28 6.565 -13.917 -5.030 205 HG11 VAL 28 HG11 VAL 28 6.087 -15.215 -7.048 206 HG12 VAL 28 HG12 VAL 28 6.691 -16.666 -6.250 207 HG13 VAL 28 HG13 VAL 28 7.784 -15.323 -6.580 208 HG21 VAL 28 HG21 VAL 28 4.739 -14.752 -3.672 209 HG22 VAL 28 HG22 VAL 28 4.845 -16.328 -4.461 210 HG23 VAL 28 HG23 VAL 28 4.342 -14.911 -5.384 211 H HIS 29 HN HIS 29 6.053 -16.748 -2.132 212 HA HIS 29 HA HIS 29 6.861 -19.427 -3.048 213 HB2 HIS 29 HB2 HIS 29 5.790 -18.491 -0.373 214 HB3 HIS 29 HB1 HIS 29 6.015 -20.181 -0.797 215 HD1 HIS 29 HD1 HIS 29 8.358 -21.136 -0.614 216 HD2 HIS 29 HD2 HIS 29 8.190 -17.034 0.047 217 HE1 HIS 29 HE1 HIS 29 10.586 -20.515 0.363 218 HE2 HIS 29 HE2 HIS 29 10.339 -18.099 1.017 219 H PHE 30 HN PHE 30 5.248 -21.018 -3.348 220 HA PHE 30 HA PHE 30 2.770 -20.010 -4.346 221 HB2 PHE 30 HB2 PHE 30 3.660 -22.854 -3.836 222 HB3 PHE 30 HB1 PHE 30 2.193 -22.402 -4.693 223 HD1 PHE 30 HD1 PHE 30 2.295 -21.453 -6.922 224 HD2 PHE 30 HD2 PHE 30 5.825 -22.631 -4.859 225 HE1 PHE 30 HE1 PHE 30 3.552 -21.374 -9.036 226 HE2 PHE 30 HE2 PHE 30 7.091 -22.555 -6.968 227 HZ PHE 30 HZ PHE 30 5.955 -21.924 -9.061 228 H SER 31 HN SER 31 3.819 -20.807 -1.256 229 HA SER 31 HA SER 31 1.454 -21.824 -0.101 230 HB2 SER 31 HB2 SER 31 3.586 -20.200 1.295 231 HB3 SER 31 HB1 SER 31 2.522 -21.414 2.006 232 HG SER 31 HG SER 31 3.624 -23.012 0.966 233 H ALA 32 HN ALA 32 2.200 -18.727 -1.279 234 HA ALA 32 HA ALA 32 -0.137 -17.605 0.113 235 HB1 ALA 32 HB1 ALA 32 1.826 -16.810 1.305 236 HB2 ALA 32 HB2 ALA 32 1.065 -15.483 0.427 237 HB3 ALA 32 HB3 ALA 32 2.531 -16.232 -0.204 238 H ILE 33 HN ILE 33 0.401 -18.661 -2.617 239 HA ILE 33 HA ILE 33 0.648 -16.357 -4.325 240 HB ILE 33 HB ILE 33 1.625 -18.629 -4.836 241 HG12 ILE 33 HG12 ILE 33 1.147 -18.477 -7.249 242 HG13 ILE 33 HG11 ILE 33 -0.197 -17.392 -6.903 243 HG21 ILE 33 HG21 ILE 33 -0.282 -20.006 -4.232 244 HG22 ILE 33 HG22 ILE 33 0.167 -20.271 -5.918 245 HG23 ILE 33 HG23 ILE 33 -1.236 -19.276 -5.525 246 HD11 ILE 33 HD11 ILE 33 2.703 -16.852 -6.327 247 HD12 ILE 33 HD12 ILE 33 1.357 -15.766 -5.970 248 HD13 ILE 33 HD13 ILE 33 1.752 -16.166 -7.643 249 H GLN 34 HN GLN 34 -0.885 -15.634 -5.820 250 HA GLN 34 HA GLN 34 -3.615 -15.753 -4.953 251 HB2 GLN 34 HB2 GLN 34 -3.995 -14.266 -6.971 252 HB3 GLN 34 HB1 GLN 34 -2.901 -13.642 -5.749 253 HG2 GLN 34 HG2 GLN 34 -1.797 -13.111 -7.688 254 HG3 GLN 34 HG1 GLN 34 -1.045 -14.642 -7.265 255 HE21 GLN 34 HE21 GLN 34 -1.459 -16.465 -8.540 256 HE22 GLN 34 HE22 GLN 34 -2.214 -16.350 -10.095 257 H GLY 35 HN GLY 35 -5.219 -15.825 -7.072 258 HA2 GLY 35 HA2 GLY 35 -4.570 -18.188 -8.663 259 HA3 GLY 35 HA1 GLY 35 -5.952 -18.302 -7.583 260 H ASP 36 HN ASP 36 -7.515 -18.498 -9.070 261 HA ASP 36 HA ASP 36 -9.149 -17.865 -10.483 262 HB2 ASP 36 HB2 ASP 36 -7.962 -15.128 -10.051 263 HB3 ASP 36 HB1 ASP 36 -9.348 -15.403 -11.103 264 H GLY 37 HN GLY 37 -8.446 -19.134 -12.112 265 HA2 GLY 37 HA2 GLY 37 -7.939 -19.457 -14.353 266 HA3 GLY 37 HA1 GLY 37 -7.443 -17.772 -14.459 267 H PHE 38 HN PHE 38 -5.363 -17.202 -13.484 268 HA PHE 38 HA PHE 38 -3.454 -19.410 -13.813 269 HB2 PHE 38 HB2 PHE 38 -3.084 -16.429 -14.156 270 HB3 PHE 38 HB1 PHE 38 -1.760 -17.589 -14.187 271 HD1 PHE 38 HD1 PHE 38 -1.574 -19.213 -16.011 272 HD2 PHE 38 HD2 PHE 38 -4.564 -16.186 -16.012 273 HE1 PHE 38 HE1 PHE 38 -1.946 -19.587 -18.415 274 HE2 PHE 38 HE2 PHE 38 -4.944 -16.556 -18.415 275 HZ PHE 38 HZ PHE 38 -3.633 -18.258 -19.620 276 H LYS 39 HN LYS 39 -3.163 -20.262 -11.882 277 HA LYS 39 HA LYS 39 -2.943 -18.621 -9.503 278 HB2 LYS 39 HB2 LYS 39 -2.954 -20.630 -8.243 279 HB3 LYS 39 HB1 LYS 39 -4.121 -20.864 -9.531 280 HG2 LYS 39 HG2 LYS 39 -1.306 -21.935 -9.577 281 HG3 LYS 39 HG1 LYS 39 -2.714 -22.849 -9.042 282 HD2 LYS 39 HD2 LYS 39 -2.235 -21.726 -11.802 283 HD3 LYS 39 HD1 LYS 39 -2.160 -23.419 -11.329 284 HE2 LYS 39 HE2 LYS 39 -4.508 -23.475 -10.876 285 HE3 LYS 39 HE1 LYS 39 -4.643 -21.729 -11.085 286 HZ1 LYS 39 HZ1 LYS 39 -5.415 -23.055 -13.022 287 HZ2 LYS 39 HZ2 LYS 39 -3.819 -23.597 -13.249 288 HZ3 LYS 39 HZ3 LYS 39 -4.185 -21.949 -13.403 289 H SER 40 HN SER 40 -0.933 -19.470 -11.932 290 HA SER 40 HA SER 40 1.463 -19.526 -10.250 291 HB2 SER 40 HB2 SER 40 2.516 -20.024 -12.595 292 HB3 SER 40 HB1 SER 40 1.603 -21.298 -11.782 293 HG SER 40 HG SER 40 1.024 -21.005 -14.021 294 H LEU 41 HN LEU 41 3.309 -18.155 -11.054 295 HA LEU 41 HA LEU 41 2.265 -15.596 -12.052 296 HB2 LEU 41 HB2 LEU 41 4.713 -16.202 -10.396 297 HB3 LEU 41 HB1 LEU 41 4.367 -14.627 -11.084 298 HG LEU 41 HG LEU 41 2.753 -16.073 -8.985 299 HD11 LEU 41 HD11 LEU 41 4.803 -15.049 -8.161 300 HD12 LEU 41 HD12 LEU 41 3.385 -14.173 -7.585 301 HD13 LEU 41 HD13 LEU 41 4.349 -13.517 -8.906 302 HD21 LEU 41 HD21 LEU 41 2.227 -13.403 -10.284 303 HD22 LEU 41 HD22 LEU 41 1.315 -14.111 -8.953 304 HD23 LEU 41 HD23 LEU 41 1.289 -14.872 -10.543 305 H ASP 42 HN ASP 42 2.881 -14.891 -13.957 306 HA ASP 42 HA ASP 42 5.005 -16.316 -15.368 307 HB2 ASP 42 HB2 ASP 42 2.743 -16.070 -16.428 308 HB3 ASP 42 HB1 ASP 42 3.009 -14.331 -16.470 309 H GLU 43 HN GLU 43 6.910 -15.413 -15.676 310 HA GLU 43 HA GLU 43 7.670 -12.996 -14.523 311 HB2 GLU 43 HB2 GLU 43 9.722 -13.258 -16.056 312 HB3 GLU 43 HB1 GLU 43 9.404 -14.522 -14.876 313 HG2 GLU 43 HG2 GLU 43 8.334 -15.859 -16.656 314 HG3 GLU 43 HG1 GLU 43 8.773 -14.612 -17.820 315 H GLY 44 HN GLY 44 7.437 -10.955 -15.107 316 HA2 GLY 44 HA2 GLY 44 7.641 -9.298 -16.918 317 HA3 GLY 44 HA1 GLY 44 6.712 -10.404 -17.915 318 H GLN 45 HN GLN 45 5.047 -10.881 -15.281 319 HA GLN 45 HA GLN 45 3.308 -8.561 -15.755 320 HB2 GLN 45 HB2 GLN 45 1.481 -9.830 -14.978 321 HB3 GLN 45 HB1 GLN 45 2.424 -10.944 -15.954 322 HG2 GLN 45 HG2 GLN 45 3.365 -11.946 -13.966 323 HG3 GLN 45 HG1 GLN 45 2.515 -10.786 -12.948 324 HE21 GLN 45 HE21 GLN 45 2.363 -13.648 -12.883 325 HE22 GLN 45 HE22 GLN 45 0.717 -14.082 -13.189 326 H ALA 46 HN ALA 46 2.455 -7.335 -14.050 327 HA ALA 46 HA ALA 46 4.122 -7.312 -11.652 328 HB1 ALA 46 HB1 ALA 46 2.062 -5.322 -12.600 329 HB2 ALA 46 HB2 ALA 46 3.805 -5.198 -12.842 330 HB3 ALA 46 HB3 ALA 46 3.133 -5.124 -11.212 331 H VAL 47 HN VAL 47 3.314 -7.481 -9.571 332 HA VAL 47 HA VAL 47 0.480 -8.136 -9.240 333 HB VAL 47 HB VAL 47 1.059 -10.051 -7.746 334 HG11 VAL 47 HG11 VAL 47 1.508 -11.662 -9.541 335 HG12 VAL 47 HG12 VAL 47 1.947 -10.333 -10.614 336 HG13 VAL 47 HG13 VAL 47 0.296 -10.473 -10.013 337 HG21 VAL 47 HG21 VAL 47 3.269 -11.075 -7.905 338 HG22 VAL 47 HG22 VAL 47 3.380 -9.433 -7.273 339 HG23 VAL 47 HG23 VAL 47 3.811 -9.762 -8.950 340 H THR 48 HN THR 48 -0.222 -8.059 -7.015 341 HA THR 48 HA THR 48 1.346 -6.185 -5.390 342 HB THR 48 HB THR 48 -1.526 -7.067 -4.982 343 HG1 THR 48 HG1 THR 48 -1.953 -5.863 -6.662 344 HG21 THR 48 HG21 THR 48 -0.485 -6.054 -3.018 345 HG22 THR 48 HG22 THR 48 -1.704 -4.976 -3.698 346 HG23 THR 48 HG23 THR 48 0.009 -4.661 -3.982 347 H PHE 49 HN PHE 49 1.885 -6.722 -3.217 348 HA PHE 49 HA PHE 49 1.048 -9.137 -1.981 349 HB2 PHE 49 HB2 PHE 49 3.186 -10.367 -2.059 350 HB3 PHE 49 HB1 PHE 49 2.497 -10.183 -3.668 351 HD1 PHE 49 HD2 PHE 49 3.491 -8.593 -5.259 352 HD2 PHE 49 HD1 PHE 49 5.267 -9.383 -1.476 353 HE1 PHE 49 HE2 PHE 49 5.597 -7.599 -6.044 354 HE2 PHE 49 HE1 PHE 49 7.376 -8.389 -2.256 355 HZ PHE 49 HZ PHE 49 7.542 -7.497 -4.542 356 H ASP 50 HN ASP 50 1.900 -9.366 0.143 357 HA ASP 50 HA ASP 50 3.271 -6.933 1.070 358 HB2 ASP 50 HB2 ASP 50 1.183 -7.752 2.234 359 HB3 ASP 50 HB1 ASP 50 2.121 -9.138 2.787 360 H VAL 51 HN VAL 51 5.256 -6.995 2.131 361 HA VAL 51 HA VAL 51 6.852 -9.313 1.407 362 HB VAL 51 HB VAL 51 7.663 -6.613 2.494 363 HG11 VAL 51 HG11 VAL 51 9.216 -8.293 3.324 364 HG12 VAL 51 HG12 VAL 51 9.981 -7.321 2.065 365 HG13 VAL 51 HG13 VAL 51 9.403 -8.946 1.694 366 HG21 VAL 51 HG21 VAL 51 8.653 -6.317 0.278 367 HG22 VAL 51 HG22 VAL 51 6.917 -6.604 0.173 368 HG23 VAL 51 HG23 VAL 51 8.050 -7.902 -0.203 369 H GLU 52 HN GLU 52 6.999 -10.926 2.740 370 HA GLU 52 HA GLU 52 6.832 -10.491 5.627 371 HB2 GLU 52 HB2 GLU 52 5.430 -12.266 4.700 372 HB3 GLU 52 HB1 GLU 52 6.838 -13.031 3.978 373 HG2 GLU 52 HG2 GLU 52 6.269 -14.256 5.929 374 HG3 GLU 52 HG1 GLU 52 7.746 -13.359 6.278 375 H GLU 53 HN GLU 53 8.693 -10.103 6.631 376 HA GLU 53 HA GLU 53 11.231 -10.825 5.559 377 HB2 GLU 53 HB2 GLU 53 10.439 -9.948 8.347 378 HB3 GLU 53 HB1 GLU 53 12.099 -10.134 7.799 379 HG2 GLU 53 HG2 GLU 53 11.777 -8.398 6.143 380 HG3 GLU 53 HG1 GLU 53 10.085 -8.243 6.607 381 H GLY 54 HN GLY 54 11.831 -12.859 5.357 382 HA2 GLY 54 HA2 GLY 54 10.776 -14.881 7.164 383 HA3 GLY 54 HA1 GLY 54 11.669 -15.173 5.679 384 H GLN 55 HN GLN 55 13.094 -16.615 6.595 385 HA GLN 55 HA GLN 55 14.561 -15.958 8.973 386 HB2 GLN 55 HB2 GLN 55 14.869 -18.207 6.981 387 HB3 GLN 55 HB1 GLN 55 15.768 -18.083 8.488 388 HG2 GLN 55 HG2 GLN 55 13.751 -18.273 9.774 389 HG3 GLN 55 HG1 GLN 55 12.767 -18.212 8.312 390 HE21 GLN 55 HE21 GLN 55 12.982 -20.253 10.421 391 HE22 GLN 55 HE22 GLN 55 13.376 -21.729 9.597 392 H ARG 56 HN ARG 56 15.012 -15.564 5.571 393 HA ARG 56 HA ARG 56 17.547 -14.227 6.082 394 HB2 ARG 56 HB2 ARG 56 17.207 -16.600 4.280 395 HB3 ARG 56 HB1 ARG 56 18.409 -15.374 3.905 396 HG2 ARG 56 HG2 ARG 56 18.266 -16.960 6.464 397 HG3 ARG 56 HG1 ARG 56 19.381 -17.248 5.125 398 HD2 ARG 56 HD2 ARG 56 20.241 -14.934 5.429 399 HD3 ARG 56 HD1 ARG 56 19.223 -14.789 6.859 400 HE ARG 56 HE ARG 56 20.589 -16.889 7.579 401 HH11 ARG 56 HH11 ARG 56 21.736 -14.065 5.851 402 HH12 ARG 56 HH12 ARG 56 23.365 -14.198 6.450 403 HH21 ARG 56 HH21 ARG 56 22.740 -17.071 8.371 404 HH22 ARG 56 HH22 ARG 56 23.939 -15.912 7.876 405 H GLY 57 HN GLY 57 15.586 -15.238 3.274 406 HA2 GLY 57 HA2 GLY 57 15.994 -12.583 2.133 407 HA3 GLY 57 HA1 GLY 57 15.360 -13.987 1.290 408 HA PRO 58 HA PRO 58 11.815 -11.256 2.881 409 HB2 PRO 58 HB2 PRO 58 11.838 -9.678 0.448 410 HB3 PRO 58 HB1 PRO 58 11.949 -9.125 2.119 411 HG2 PRO 58 HG2 PRO 58 14.013 -8.961 0.341 412 HG3 PRO 58 HG1 PRO 58 14.240 -9.103 2.095 413 HD2 PRO 58 HD2 PRO 58 14.423 -11.215 -0.020 414 HD3 PRO 58 HD1 PRO 58 15.454 -10.956 1.404 415 H GLN 59 HN GLN 59 10.138 -12.585 2.499 416 HA GLN 59 HA GLN 59 9.804 -13.608 -0.235 417 HB2 GLN 59 HB2 GLN 59 8.558 -15.469 0.770 418 HB3 GLN 59 HB1 GLN 59 10.197 -15.357 1.391 419 HG2 GLN 59 HG2 GLN 59 9.323 -14.240 3.408 420 HG3 GLN 59 HG1 GLN 59 7.686 -14.465 2.788 421 HE21 GLN 59 HE21 GLN 59 7.072 -15.759 4.502 422 HE22 GLN 59 HE22 GLN 59 7.651 -17.374 4.702 423 H ALA 60 HN ALA 60 7.732 -13.747 -1.141 424 HA ALA 60 HA ALA 60 6.047 -11.528 -0.423 425 HB1 ALA 60 HB1 ALA 60 4.784 -12.116 -2.435 426 HB2 ALA 60 HB2 ALA 60 5.752 -13.581 -2.608 427 HB3 ALA 60 HB3 ALA 60 6.514 -11.998 -2.760 428 H ALA 61 HN ALA 61 4.509 -11.634 1.013 429 HA ALA 61 HA ALA 61 3.012 -14.153 1.321 430 HB1 ALA 61 HB1 ALA 61 3.514 -12.044 3.422 431 HB2 ALA 61 HB2 ALA 61 4.321 -13.610 3.328 432 HB3 ALA 61 HB3 ALA 61 2.587 -13.529 3.638 433 H ASN 62 HN ASN 62 0.783 -13.994 1.343 434 HA ASN 62 HA ASN 62 -1.197 -13.227 0.527 435 HB2 ASN 62 HB2 ASN 62 -0.311 -10.597 1.741 436 HB3 ASN 62 HB1 ASN 62 -1.955 -11.015 1.268 437 HD21 ASN 62 HD21 ASN 62 0.589 -11.523 3.540 438 HD22 ASN 62 HD22 ASN 62 -0.359 -12.328 4.749 439 H VAL 63 HN VAL 63 -0.542 -13.524 -1.624 440 HA VAL 63 HA VAL 63 0.331 -11.124 -3.044 441 HB VAL 63 HB VAL 63 0.063 -13.966 -4.058 442 HG11 VAL 63 HG11 VAL 63 -0.209 -12.330 -5.847 443 HG12 VAL 63 HG12 VAL 63 1.325 -13.187 -6.009 444 HG13 VAL 63 HG13 VAL 63 1.297 -11.543 -5.369 445 HG21 VAL 63 HG21 VAL 63 2.505 -14.024 -3.985 446 HG22 VAL 63 HG22 VAL 63 1.826 -13.736 -2.383 447 HG23 VAL 63 HG23 VAL 63 2.527 -12.399 -3.295 448 H GLN 64 HN GLN 64 -1.042 -9.943 -4.178 449 HA GLN 64 HA GLN 64 -3.672 -11.066 -4.889 450 HB2 GLN 64 HB2 GLN 64 -3.790 -9.389 -3.063 451 HB3 GLN 64 HB1 GLN 64 -3.005 -8.217 -4.108 452 HG2 GLN 64 HG2 GLN 64 -4.906 -8.337 -5.650 453 HG3 GLN 64 HG1 GLN 64 -5.697 -9.478 -4.566 454 HE21 GLN 64 HE21 GLN 64 -6.515 -8.755 -2.600 455 HE22 GLN 64 HE22 GLN 64 -6.756 -7.072 -2.271 456 H LYS 65 HN LYS 65 -4.429 -10.577 -6.947 457 HA LYS 65 HA LYS 65 -2.465 -10.126 -8.934 458 HB2 LYS 65 HB2 LYS 65 -4.603 -11.478 -9.154 459 HB3 LYS 65 HB1 LYS 65 -5.455 -9.948 -9.300 460 HG2 LYS 65 HG2 LYS 65 -5.042 -10.930 -11.480 461 HG3 LYS 65 HG1 LYS 65 -4.162 -9.411 -11.295 462 HD2 LYS 65 HD2 LYS 65 -2.164 -10.413 -11.493 463 HD3 LYS 65 HD1 LYS 65 -2.635 -11.752 -10.443 464 HE2 LYS 65 HE2 LYS 65 -3.435 -11.451 -13.331 465 HE3 LYS 65 HE1 LYS 65 -2.116 -12.465 -12.749 466 HZ1 LYS 65 HZ1 LYS 65 -3.731 -13.715 -11.431 467 HZ2 LYS 65 HZ2 LYS 65 -4.111 -13.765 -13.088 468 HZ3 LYS 65 HZ3 LYS 65 -4.990 -12.761 -12.048 469 H ALA 66 HN ALA 66 -1.851 -8.300 -9.962 470 HA ALA 66 HA ALA 66 -2.905 -5.783 -8.960 471 HB1 ALA 66 HB1 ALA 66 -0.488 -6.055 -9.020 472 HB2 ALA 66 HB2 ALA 66 -0.990 -4.764 -10.111 473 HB3 ALA 66 HB3 ALA 66 -0.549 -6.344 -10.758 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 2.314 1.846 -0.212 2 H2 MET 1 HT2 MET 1 3.690 1.174 0.510 3 H3 MET 1 HT3 MET 1 2.230 0.311 0.506 4 HA MET 1 HA MET 1 2.310 0.214 -1.924 5 HB2 MET 1 HB2 MET 1 3.705 2.202 -2.269 6 HB3 MET 1 HB1 MET 1 5.062 1.400 -1.491 7 HG2 MET 1 HG2 MET 1 5.281 1.406 -3.914 8 HG3 MET 1 HG1 MET 1 5.154 -0.232 -3.276 9 HE1 MET 1 HE1 MET 1 4.685 -0.996 -5.853 10 HE2 MET 1 HE2 MET 1 4.755 0.694 -6.351 11 HE3 MET 1 HE3 MET 1 3.385 -0.311 -6.825 12 H GLU 2 HN GLU 2 2.085 -1.914 -1.486 13 HA GLU 2 HA GLU 2 4.536 -3.412 -0.844 14 HB2 GLU 2 HB2 GLU 2 3.092 -5.134 0.141 15 HB3 GLU 2 HB1 GLU 2 2.852 -3.586 0.935 16 HG2 GLU 2 HG2 GLU 2 1.033 -4.695 -1.198 17 HG3 GLU 2 HG1 GLU 2 0.768 -4.879 0.533 18 H GLN 3 HN GLN 3 3.184 -2.439 -3.380 19 HA GLN 3 HA GLN 3 2.618 -4.971 -4.728 20 HB2 GLN 3 HB2 GLN 3 1.011 -3.082 -4.955 21 HB3 GLN 3 HB1 GLN 3 2.281 -2.124 -5.700 22 HG2 GLN 3 HG2 GLN 3 2.389 -3.666 -7.562 23 HG3 GLN 3 HG1 GLN 3 1.173 -4.691 -6.806 24 HE21 GLN 3 HE21 GLN 3 -0.963 -3.976 -6.694 25 HE22 GLN 3 HE22 GLN 3 -1.546 -2.721 -7.737 26 H GLY 4 HN GLY 4 3.678 -5.490 -6.720 27 HA2 GLY 4 HA2 GLY 4 5.966 -3.890 -7.523 28 HA3 GLY 4 HA1 GLY 4 6.353 -5.475 -6.868 29 H THR 5 HN THR 5 7.243 -5.300 -9.257 30 HA THR 5 HA THR 5 5.181 -6.335 -11.090 31 HB THR 5 HB THR 5 7.951 -5.307 -11.756 32 HG1 THR 5 HG1 THR 5 5.765 -3.964 -11.090 33 HG21 THR 5 HG21 THR 5 7.098 -6.892 -13.408 34 HG22 THR 5 HG22 THR 5 7.098 -5.257 -14.067 35 HG23 THR 5 HG23 THR 5 5.590 -5.986 -13.519 36 H VAL 6 HN VAL 6 5.238 -8.419 -11.719 37 HA VAL 6 HA VAL 6 6.988 -10.257 -10.462 38 HB VAL 6 HB VAL 6 5.233 -10.695 -12.887 39 HG11 VAL 6 HG11 VAL 6 5.325 -13.065 -12.274 40 HG12 VAL 6 HG12 VAL 6 6.441 -12.684 -10.962 41 HG13 VAL 6 HG13 VAL 6 6.932 -12.432 -12.638 42 HG21 VAL 6 HG21 VAL 6 4.661 -11.136 -9.957 43 HG22 VAL 6 HG22 VAL 6 3.600 -11.597 -11.289 44 HG23 VAL 6 HG23 VAL 6 3.946 -9.894 -10.984 45 H LYS 7 HN LYS 7 9.057 -10.568 -10.927 46 HA LYS 7 HA LYS 7 10.152 -9.809 -13.484 47 HB2 LYS 7 HB2 LYS 7 11.453 -9.462 -11.432 48 HB3 LYS 7 HB1 LYS 7 11.430 -11.192 -11.113 49 HG2 LYS 7 HG2 LYS 7 13.554 -10.713 -12.015 50 HG3 LYS 7 HG1 LYS 7 12.642 -11.499 -13.303 51 HD2 LYS 7 HD2 LYS 7 13.801 -9.660 -14.281 52 HD3 LYS 7 HD1 LYS 7 12.101 -9.201 -14.181 53 HE2 LYS 7 HE2 LYS 7 12.557 -7.930 -12.148 54 HE3 LYS 7 HE1 LYS 7 14.252 -8.410 -12.224 55 HZ1 LYS 7 HZ1 LYS 7 12.815 -6.751 -14.226 56 HZ2 LYS 7 HZ2 LYS 7 14.434 -7.235 -14.348 57 HZ3 LYS 7 HZ3 LYS 7 13.946 -6.192 -13.094 58 H TRP 8 HN TRP 8 10.142 -12.860 -11.618 59 HA TRP 8 HA TRP 8 9.240 -14.544 -13.665 60 HB2 TRP 8 HB2 TRP 8 11.478 -13.644 -14.645 61 HB3 TRP 8 HB1 TRP 8 12.256 -14.673 -13.454 62 HD1 TRP 8 HD1 TRP 8 9.596 -16.843 -14.282 63 HE1 TRP 8 HE1 TRP 8 10.141 -18.410 -16.254 64 HE3 TRP 8 HE3 TRP 8 13.615 -14.342 -16.214 65 HZ2 TRP 8 HZ2 TRP 8 12.020 -18.554 -18.346 66 HZ3 TRP 8 HZ3 TRP 8 14.726 -15.266 -18.203 67 HH2 TRP 8 HH2 TRP 8 13.945 -17.328 -19.246 68 H PHE 9 HN PHE 9 9.148 -16.741 -12.891 69 HA PHE 9 HA PHE 9 10.183 -17.159 -10.196 70 HB2 PHE 9 HB2 PHE 9 8.542 -18.877 -12.069 71 HB3 PHE 9 HB1 PHE 9 9.184 -19.492 -10.552 72 HD1 PHE 9 HD2 PHE 9 7.286 -16.484 -11.720 73 HD2 PHE 9 HD1 PHE 9 7.709 -19.565 -8.813 74 HE1 PHE 9 HE2 PHE 9 5.310 -15.633 -10.532 75 HE2 PHE 9 HE1 PHE 9 5.729 -18.718 -7.622 76 HZ PHE 9 HZ PHE 9 4.529 -16.750 -8.482 77 H ASN 10 HN ASN 10 12.440 -17.235 -10.415 78 HA ASN 10 HA ASN 10 13.552 -17.906 -12.899 79 HB2 ASN 10 HB2 ASN 10 15.719 -17.526 -11.948 80 HB3 ASN 10 HB1 ASN 10 14.613 -16.340 -11.281 81 HD21 ASN 10 HD21 ASN 10 13.430 -18.047 -9.283 82 HD22 ASN 10 HD22 ASN 10 14.646 -18.325 -8.089 83 H ALA 11 HN ALA 11 13.153 -19.782 -13.628 84 HA ALA 11 HA ALA 11 12.957 -22.242 -12.542 85 HB1 ALA 11 HB1 ALA 11 12.440 -21.616 -14.867 86 HB2 ALA 11 HB2 ALA 11 13.312 -23.144 -14.730 87 HB3 ALA 11 HB3 ALA 11 14.165 -21.685 -15.234 88 H GLU 12 HN GLU 12 15.939 -20.537 -12.748 89 HA GLU 12 HA GLU 12 17.791 -22.596 -12.591 90 HB2 GLU 12 HB2 GLU 12 18.359 -20.186 -12.545 91 HB3 GLU 12 HB1 GLU 12 17.688 -20.068 -10.926 92 HG2 GLU 12 HG2 GLU 12 20.110 -20.168 -10.871 93 HG3 GLU 12 HG1 GLU 12 19.397 -21.577 -10.088 94 H LYS 13 HN LYS 13 15.572 -21.329 -10.177 95 HA LYS 13 HA LYS 13 16.020 -23.737 -8.533 96 HB2 LYS 13 HB2 LYS 13 14.857 -21.069 -7.691 97 HB3 LYS 13 HB1 LYS 13 15.095 -22.458 -6.645 98 HG2 LYS 13 HG2 LYS 13 17.293 -20.920 -8.007 99 HG3 LYS 13 HG1 LYS 13 16.790 -20.725 -6.327 100 HD2 LYS 13 HD2 LYS 13 17.314 -23.151 -5.983 101 HD3 LYS 13 HD1 LYS 13 18.010 -23.166 -7.605 102 HE2 LYS 13 HE2 LYS 13 18.895 -21.417 -5.314 103 HE3 LYS 13 HE1 LYS 13 19.727 -22.860 -5.887 104 HZ1 LYS 13 HZ1 LYS 13 20.676 -20.752 -6.717 105 HZ2 LYS 13 HZ2 LYS 13 19.235 -20.453 -7.556 106 HZ3 LYS 13 HZ3 LYS 13 20.186 -21.799 -7.955 107 H GLY 14 HN GLY 14 13.767 -21.753 -10.269 108 HA2 GLY 14 HA2 GLY 14 11.613 -22.263 -10.998 109 HA3 GLY 14 HA1 GLY 14 11.631 -23.695 -9.974 110 H PHE 15 HN PHE 15 11.618 -20.104 -9.688 111 HA PHE 15 HA PHE 15 9.773 -20.147 -7.486 112 HB2 PHE 15 HB2 PHE 15 12.708 -20.068 -6.845 113 HB3 PHE 15 HB1 PHE 15 11.561 -19.205 -5.833 114 HD1 PHE 15 HD1 PHE 15 9.525 -20.637 -5.001 115 HD2 PHE 15 HD2 PHE 15 13.234 -22.244 -6.329 116 HE1 PHE 15 HE1 PHE 15 9.082 -22.697 -3.730 117 HE2 PHE 15 HE2 PHE 15 12.794 -24.310 -5.071 118 HZ PHE 15 HZ PHE 15 10.718 -24.538 -3.766 119 H GLY 16 HN GLY 16 9.330 -17.948 -6.659 120 HA2 GLY 16 HA2 GLY 16 9.611 -16.334 -9.075 121 HA3 GLY 16 HA1 GLY 16 8.405 -16.124 -7.817 122 H PHE 17 HN PHE 17 10.452 -14.404 -9.255 123 HA PHE 17 HA PHE 17 11.232 -12.962 -6.815 124 HB2 PHE 17 HB2 PHE 17 12.653 -13.234 -9.445 125 HB3 PHE 17 HB1 PHE 17 12.875 -11.785 -8.471 126 HD1 PHE 17 HD2 PHE 17 13.940 -11.914 -6.278 127 HD2 PHE 17 HD1 PHE 17 13.624 -15.319 -8.807 128 HE1 PHE 17 HE2 PHE 17 15.660 -13.057 -4.944 129 HE2 PHE 17 HE1 PHE 17 15.346 -16.469 -7.478 130 HZ PHE 17 HZ PHE 17 16.365 -15.338 -5.544 131 H ILE 18 HN ILE 18 10.465 -10.985 -6.582 132 HA ILE 18 HA ILE 18 9.022 -9.763 -8.838 133 HB ILE 18 HB ILE 18 8.432 -9.658 -5.880 134 HG12 ILE 18 HG12 ILE 18 6.791 -10.491 -8.279 135 HG13 ILE 18 HG11 ILE 18 7.524 -11.573 -7.102 136 HG21 ILE 18 HG21 ILE 18 8.233 -7.390 -6.764 137 HG22 ILE 18 HG22 ILE 18 6.650 -8.059 -6.368 138 HG23 ILE 18 HG23 ILE 18 7.178 -7.977 -8.049 139 HD11 ILE 18 HD11 ILE 18 6.081 -10.644 -5.360 140 HD12 ILE 18 HD12 ILE 18 5.148 -11.320 -6.696 141 HD13 ILE 18 HD13 ILE 18 5.343 -9.575 -6.552 142 H GLU 19 HN GLU 19 9.323 -7.625 -9.259 143 HA GLU 19 HA GLU 19 11.725 -6.426 -8.089 144 HB2 GLU 19 HB2 GLU 19 11.754 -6.792 -10.505 145 HB3 GLU 19 HB1 GLU 19 10.267 -5.872 -10.677 146 HG2 GLU 19 HG2 GLU 19 11.383 -3.852 -10.003 147 HG3 GLU 19 HG1 GLU 19 12.865 -4.743 -9.659 148 H ARG 20 HN ARG 20 11.528 -4.775 -6.764 149 HA ARG 20 HA ARG 20 9.260 -2.926 -7.050 150 HB2 ARG 20 HB2 ARG 20 10.349 -3.894 -4.406 151 HB3 ARG 20 HB1 ARG 20 9.061 -2.725 -4.634 152 HG2 ARG 20 HG2 ARG 20 7.878 -4.676 -5.880 153 HG3 ARG 20 HG1 ARG 20 9.014 -5.683 -4.975 154 HD2 ARG 20 HD2 ARG 20 6.868 -3.862 -3.948 155 HD3 ARG 20 HD1 ARG 20 7.153 -5.562 -3.576 156 HE ARG 20 HE ARG 20 9.130 -4.814 -2.302 157 HH11 ARG 20 HH11 ARG 20 6.658 -2.477 -3.089 158 HH12 ARG 20 HH12 ARG 20 7.029 -1.431 -1.754 159 HH21 ARG 20 HH21 ARG 20 9.639 -3.407 -0.535 160 HH22 ARG 20 HH22 ARG 20 8.727 -1.942 -0.324 161 H GLU 21 HN GLU 21 9.863 -1.059 -5.211 162 HA GLU 21 HA GLU 21 12.024 0.373 -6.280 163 HB2 GLU 21 HB2 GLU 21 11.112 0.800 -3.451 164 HB3 GLU 21 HB1 GLU 21 11.643 1.992 -4.627 165 HG2 GLU 21 HG2 GLU 21 9.429 2.428 -4.686 166 HG3 GLU 21 HG1 GLU 21 9.461 1.136 -5.887 167 H ASN 22 HN ASN 22 11.925 -2.081 -3.842 168 HA ASN 22 HA ASN 22 14.533 -1.420 -2.765 169 HB2 ASN 22 HB2 ASN 22 14.222 -3.303 -1.282 170 HB3 ASN 22 HB1 ASN 22 12.730 -2.370 -1.324 171 HD21 ASN 22 HD21 ASN 22 14.244 -5.387 -2.033 172 HD22 ASN 22 HD22 ASN 22 12.814 -6.232 -2.516 173 H GLY 23 HN GLY 23 13.455 -2.936 -5.515 174 HA2 GLY 23 HA2 GLY 23 15.276 -3.669 -7.022 175 HA3 GLY 23 HA1 GLY 23 15.904 -4.587 -5.659 176 H ASP 24 HN ASP 24 15.628 -6.066 -7.783 177 HA ASP 24 HA ASP 24 12.990 -7.341 -7.691 178 HB2 ASP 24 HB2 ASP 24 13.744 -8.573 -9.711 179 HB3 ASP 24 HB1 ASP 24 13.771 -6.829 -9.926 180 H ASP 25 HN ASP 25 13.935 -7.871 -5.420 181 HA ASP 25 HA ASP 25 15.114 -10.554 -5.594 182 HB2 ASP 25 HB2 ASP 25 16.297 -9.953 -3.381 183 HB3 ASP 25 HB1 ASP 25 16.977 -9.332 -4.881 184 H VAL 26 HN VAL 26 12.334 -9.570 -5.227 185 HA VAL 26 HA VAL 26 11.748 -10.313 -2.482 186 HB VAL 26 HB VAL 26 9.842 -9.767 -4.763 187 HG11 VAL 26 HG11 VAL 26 8.842 -11.128 -3.001 188 HG12 VAL 26 HG12 VAL 26 8.152 -9.503 -3.014 189 HG13 VAL 26 HG13 VAL 26 9.346 -9.944 -1.792 190 HG21 VAL 26 HG21 VAL 26 11.215 -7.817 -4.226 191 HG22 VAL 26 HG22 VAL 26 10.765 -7.961 -2.527 192 HG23 VAL 26 HG23 VAL 26 9.540 -7.569 -3.733 193 H PHE 27 HN PHE 27 11.757 -12.374 -1.900 194 HA PHE 27 HA PHE 27 11.681 -14.489 -3.840 195 HB2 PHE 27 HB2 PHE 27 11.796 -14.570 -0.820 196 HB3 PHE 27 HB1 PHE 27 11.943 -15.980 -1.860 197 HD1 PHE 27 HD1 PHE 27 13.582 -12.936 -0.665 198 HD2 PHE 27 HD2 PHE 27 13.954 -16.392 -3.120 199 HE1 PHE 27 HE1 PHE 27 16.008 -12.571 -0.805 200 HE2 PHE 27 HE2 PHE 27 16.383 -16.028 -3.263 201 HZ PHE 27 HZ PHE 27 17.411 -14.116 -2.106 202 H VAL 28 HN VAL 28 9.803 -15.043 -4.724 203 HA VAL 28 HA VAL 28 7.347 -14.983 -3.143 204 HB VAL 28 HB VAL 28 7.684 -15.577 -6.085 205 HG11 VAL 28 HG11 VAL 28 5.251 -14.856 -4.457 206 HG12 VAL 28 HG12 VAL 28 5.597 -16.426 -5.182 207 HG13 VAL 28 HG13 VAL 28 5.292 -15.027 -6.212 208 HG21 VAL 28 HG21 VAL 28 7.009 -12.985 -4.711 209 HG22 VAL 28 HG22 VAL 28 6.965 -13.265 -6.452 210 HG23 VAL 28 HG23 VAL 28 8.498 -13.351 -5.584 211 H HIS 29 HN HIS 29 6.487 -16.728 -2.289 212 HA HIS 29 HA HIS 29 7.522 -19.364 -3.065 213 HB2 HIS 29 HB2 HIS 29 5.884 -18.558 -0.648 214 HB3 HIS 29 HB1 HIS 29 6.476 -20.181 -0.978 215 HD1 HIS 29 HD1 HIS 29 9.133 -20.494 -0.834 216 HD2 HIS 29 HD2 HIS 29 7.641 -16.904 0.627 217 HE1 HIS 29 HE1 HIS 29 10.959 -19.539 0.601 218 HE2 HIS 29 HE2 HIS 29 9.915 -17.518 1.686 219 H PHE 30 HN PHE 30 5.907 -21.158 -3.064 220 HA PHE 30 HA PHE 30 3.886 -20.619 -4.948 221 HB2 PHE 30 HB2 PHE 30 3.226 -23.037 -4.476 222 HB3 PHE 30 HB1 PHE 30 4.866 -22.758 -5.049 223 HD1 PHE 30 HD1 PHE 30 2.809 -23.724 -2.176 224 HD2 PHE 30 HD2 PHE 30 6.765 -23.154 -3.637 225 HE1 PHE 30 HE1 PHE 30 3.698 -24.944 -0.233 226 HE2 PHE 30 HE2 PHE 30 7.663 -24.365 -1.693 227 HZ PHE 30 HZ PHE 30 6.128 -25.265 0.013 228 H SER 31 HN SER 31 3.861 -20.449 -1.535 229 HA SER 31 HA SER 31 1.085 -21.019 -1.156 230 HB2 SER 31 HB2 SER 31 1.524 -20.153 1.149 231 HB3 SER 31 HB1 SER 31 2.639 -21.427 0.652 232 HG SER 31 HG SER 31 3.202 -18.945 1.450 233 H ALA 32 HN ALA 32 2.758 -18.383 -2.390 234 HA ALA 32 HA ALA 32 1.017 -16.334 -1.342 235 HB1 ALA 32 HB1 ALA 32 2.309 -14.802 -2.714 236 HB2 ALA 32 HB2 ALA 32 3.101 -16.156 -3.516 237 HB3 ALA 32 HB3 ALA 32 3.383 -15.860 -1.801 238 H ILE 33 HN ILE 33 1.361 -18.194 -4.288 239 HA ILE 33 HA ILE 33 0.058 -16.627 -6.133 240 HB ILE 33 HB ILE 33 0.284 -19.614 -5.898 241 HG12 ILE 33 HG12 ILE 33 1.665 -19.256 -7.987 242 HG13 ILE 33 HG11 ILE 33 1.506 -17.527 -7.709 243 HG21 ILE 33 HG21 ILE 33 -1.821 -19.241 -7.034 244 HG22 ILE 33 HG22 ILE 33 -0.607 -19.825 -8.173 245 HG23 ILE 33 HG23 ILE 33 -1.042 -18.117 -8.150 246 HD11 ILE 33 HD11 ILE 33 3.636 -18.360 -6.910 247 HD12 ILE 33 HD12 ILE 33 2.807 -19.503 -5.854 248 HD13 ILE 33 HD13 ILE 33 2.653 -17.770 -5.572 249 H GLN 34 HN GLN 34 -1.956 -15.995 -6.525 250 HA GLN 34 HA GLN 34 -4.051 -16.747 -4.674 251 HB2 GLN 34 HB2 GLN 34 -5.309 -14.939 -5.555 252 HB3 GLN 34 HB1 GLN 34 -3.650 -14.368 -5.481 253 HG2 GLN 34 HG2 GLN 34 -4.851 -15.487 -7.994 254 HG3 GLN 34 HG1 GLN 34 -5.000 -13.790 -7.552 255 HE21 GLN 34 HE21 GLN 34 -2.348 -13.652 -6.363 256 HE22 GLN 34 HE22 GLN 34 -1.229 -13.665 -7.686 257 H GLY 35 HN GLY 35 -6.224 -17.351 -5.473 258 HA2 GLY 35 HA2 GLY 35 -5.892 -19.454 -7.469 259 HA3 GLY 35 HA1 GLY 35 -7.243 -19.266 -6.361 260 H ASP 36 HN ASP 36 -5.801 -18.089 -9.327 261 HA ASP 36 HA ASP 36 -8.494 -17.280 -10.218 262 HB2 ASP 36 HB2 ASP 36 -5.765 -16.431 -11.222 263 HB3 ASP 36 HB1 ASP 36 -7.252 -16.101 -12.098 264 H GLY 37 HN GLY 37 -5.607 -18.115 -11.998 265 HA2 GLY 37 HA2 GLY 37 -6.352 -20.807 -12.554 266 HA3 GLY 37 HA1 GLY 37 -6.690 -19.742 -13.918 267 H PHE 38 HN PHE 38 -4.108 -19.045 -11.732 268 HA PHE 38 HA PHE 38 -2.161 -19.797 -13.800 269 HB2 PHE 38 HB2 PHE 38 -2.084 -17.226 -12.201 270 HB3 PHE 38 HB1 PHE 38 -0.974 -17.706 -13.479 271 HD1 PHE 38 HD1 PHE 38 -1.966 -18.008 -15.826 272 HD2 PHE 38 HD2 PHE 38 -3.945 -15.941 -12.677 273 HE1 PHE 38 HE1 PHE 38 -3.371 -16.846 -17.478 274 HE2 PHE 38 HE2 PHE 38 -5.360 -14.783 -14.323 275 HZ PHE 38 HZ PHE 38 -5.075 -15.235 -16.726 276 H LYS 39 HN LYS 39 -1.134 -21.449 -12.768 277 HA LYS 39 HA LYS 39 -0.398 -21.219 -9.983 278 HB2 LYS 39 HB2 LYS 39 0.571 -23.405 -10.161 279 HB3 LYS 39 HB1 LYS 39 -0.969 -23.433 -10.997 280 HG2 LYS 39 HG2 LYS 39 1.609 -23.034 -12.476 281 HG3 LYS 39 HG1 LYS 39 1.015 -24.640 -12.063 282 HD2 LYS 39 HD2 LYS 39 -0.363 -22.577 -13.780 283 HD3 LYS 39 HD1 LYS 39 0.344 -24.100 -14.310 284 HE2 LYS 39 HE2 LYS 39 -1.293 -25.307 -12.895 285 HE3 LYS 39 HE1 LYS 39 -2.044 -23.763 -12.495 286 HZ1 LYS 39 HZ1 LYS 39 -3.285 -24.723 -14.245 287 HZ2 LYS 39 HZ2 LYS 39 -1.892 -25.065 -15.155 288 HZ3 LYS 39 HZ3 LYS 39 -2.389 -23.458 -14.939 289 H SER 40 HN SER 40 0.855 -20.416 -13.022 290 HA SER 40 HA SER 40 3.359 -19.527 -11.758 291 HB2 SER 40 HB2 SER 40 2.877 -20.074 -14.703 292 HB3 SER 40 HB1 SER 40 4.415 -19.646 -13.950 293 HG SER 40 HG SER 40 4.178 -21.630 -12.706 294 H LEU 41 HN LEU 41 4.075 -17.377 -12.465 295 HA LEU 41 HA LEU 41 1.742 -15.720 -13.113 296 HB2 LEU 41 HB2 LEU 41 4.269 -15.016 -11.625 297 HB3 LEU 41 HB1 LEU 41 3.017 -13.863 -12.043 298 HG LEU 41 HG LEU 41 2.726 -16.216 -10.173 299 HD11 LEU 41 HD11 LEU 41 3.996 -14.377 -9.215 300 HD12 LEU 41 HD12 LEU 41 2.407 -14.495 -8.462 301 HD13 LEU 41 HD13 LEU 41 2.723 -13.242 -9.662 302 HD21 LEU 41 HD21 LEU 41 0.675 -15.804 -11.454 303 HD22 LEU 41 HD22 LEU 41 0.701 -14.116 -10.938 304 HD23 LEU 41 HD23 LEU 41 0.482 -15.402 -9.747 305 H ASP 42 HN ASP 42 1.922 -14.022 -14.563 306 HA ASP 42 HA ASP 42 3.753 -14.574 -16.727 307 HB2 ASP 42 HB2 ASP 42 1.333 -14.102 -17.096 308 HB3 ASP 42 HB1 ASP 42 1.593 -12.463 -16.512 309 H GLU 43 HN GLU 43 5.617 -13.569 -17.026 310 HA GLU 43 HA GLU 43 6.536 -11.604 -15.239 311 HB2 GLU 43 HB2 GLU 43 8.423 -11.379 -17.029 312 HB3 GLU 43 HB1 GLU 43 8.287 -12.830 -16.056 313 HG2 GLU 43 HG2 GLU 43 8.752 -13.531 -18.246 314 HG3 GLU 43 HG1 GLU 43 7.051 -13.877 -17.976 315 H GLY 44 HN GLY 44 6.492 -9.480 -15.243 316 HA2 GLY 44 HA2 GLY 44 6.548 -7.364 -16.378 317 HA3 GLY 44 HA1 GLY 44 5.689 -8.108 -17.718 318 H GLN 45 HN GLN 45 4.064 -9.380 -15.242 319 HA GLN 45 HA GLN 45 2.079 -7.245 -15.308 320 HB2 GLN 45 HB2 GLN 45 0.513 -8.792 -14.424 321 HB3 GLN 45 HB1 GLN 45 1.458 -9.681 -15.609 322 HG2 GLN 45 HG2 GLN 45 2.745 -10.726 -13.861 323 HG3 GLN 45 HG1 GLN 45 1.926 -9.756 -12.638 324 HE21 GLN 45 HE21 GLN 45 2.091 -12.634 -12.892 325 HE22 GLN 45 HE22 GLN 45 0.462 -13.207 -12.987 326 H ALA 46 HN ALA 46 1.184 -6.282 -13.459 327 HA ALA 46 HA ALA 46 3.044 -6.098 -11.214 328 HB1 ALA 46 HB1 ALA 46 0.609 -4.433 -11.870 329 HB2 ALA 46 HB2 ALA 46 2.282 -4.015 -12.241 330 HB3 ALA 46 HB3 ALA 46 1.754 -4.126 -10.561 331 H VAL 47 HN VAL 47 2.585 -6.797 -9.202 332 HA VAL 47 HA VAL 47 -0.137 -7.668 -8.570 333 HB VAL 47 HB VAL 47 0.753 -9.736 -7.502 334 HG11 VAL 47 HG11 VAL 47 1.236 -9.538 -10.473 335 HG12 VAL 47 HG12 VAL 47 -0.310 -9.861 -9.690 336 HG13 VAL 47 HG13 VAL 47 1.002 -11.030 -9.565 337 HG21 VAL 47 HG21 VAL 47 3.287 -9.055 -8.995 338 HG22 VAL 47 HG22 VAL 47 2.968 -10.557 -8.130 339 HG23 VAL 47 HG23 VAL 47 3.079 -9.037 -7.245 340 H THR 48 HN THR 48 -0.635 -7.607 -6.377 341 HA THR 48 HA THR 48 1.229 -6.077 -4.701 342 HB THR 48 HB THR 48 -1.633 -6.773 -4.035 343 HG1 THR 48 HG1 THR 48 -2.319 -5.039 -5.187 344 HG21 THR 48 HG21 THR 48 0.169 -4.488 -3.226 345 HG22 THR 48 HG22 THR 48 -0.289 -5.862 -2.220 346 HG23 THR 48 HG23 THR 48 -1.510 -4.693 -2.724 347 H PHE 49 HN PHE 49 1.702 -6.889 -2.505 348 HA PHE 49 HA PHE 49 0.741 -9.510 -1.788 349 HB2 PHE 49 HB2 PHE 49 2.977 -10.573 -1.714 350 HB3 PHE 49 HB1 PHE 49 2.482 -10.165 -3.352 351 HD1 PHE 49 HD1 PHE 49 4.798 -9.388 -0.625 352 HD2 PHE 49 HD2 PHE 49 3.624 -8.444 -4.607 353 HE1 PHE 49 HE1 PHE 49 6.895 -8.146 -0.947 354 HE2 PHE 49 HE2 PHE 49 5.718 -7.198 -4.931 355 HZ PHE 49 HZ PHE 49 7.357 -7.049 -3.101 356 H ASP 50 HN ASP 50 1.570 -10.253 0.294 357 HA ASP 50 HA ASP 50 2.290 -8.000 2.021 358 HB2 ASP 50 HB2 ASP 50 0.460 -9.492 2.757 359 HB3 ASP 50 HB1 ASP 50 1.585 -10.849 2.765 360 H VAL 51 HN VAL 51 4.377 -7.574 2.141 361 HA VAL 51 HA VAL 51 6.325 -9.678 1.715 362 HB VAL 51 HB VAL 51 6.697 -7.604 0.529 363 HG11 VAL 51 HG11 VAL 51 7.212 -5.505 1.700 364 HG12 VAL 51 HG12 VAL 51 6.810 -6.280 3.233 365 HG13 VAL 51 HG13 VAL 51 5.565 -6.057 2.005 366 HG21 VAL 51 HG21 VAL 51 8.706 -8.021 2.736 367 HG22 VAL 51 HG22 VAL 51 8.997 -7.089 1.267 368 HG23 VAL 51 HG23 VAL 51 8.678 -8.821 1.165 369 H GLU 52 HN GLU 52 7.416 -10.677 3.270 370 HA GLU 52 HA GLU 52 7.647 -9.377 5.899 371 HB2 GLU 52 HB2 GLU 52 7.021 -12.296 5.411 372 HB3 GLU 52 HB1 GLU 52 7.366 -11.584 6.979 373 HG2 GLU 52 HG2 GLU 52 5.370 -10.124 6.671 374 HG3 GLU 52 HG1 GLU 52 4.996 -11.045 5.213 375 H GLU 53 HN GLU 53 9.663 -9.456 6.768 376 HA GLU 53 HA GLU 53 11.620 -11.158 5.384 377 HB2 GLU 53 HB2 GLU 53 12.016 -8.649 7.012 378 HB3 GLU 53 HB1 GLU 53 13.333 -9.664 6.446 379 HG2 GLU 53 HG2 GLU 53 12.516 -9.269 4.117 380 HG3 GLU 53 HG1 GLU 53 11.396 -8.080 4.788 381 H GLY 54 HN GLY 54 11.792 -13.018 6.415 382 HA2 GLY 54 HA2 GLY 54 11.775 -13.156 9.311 383 HA3 GLY 54 HA1 GLY 54 12.016 -14.501 8.198 384 H GLN 55 HN GLN 55 13.850 -15.274 9.300 385 HA GLN 55 HA GLN 55 16.157 -13.505 9.434 386 HB2 GLN 55 HB2 GLN 55 15.887 -16.407 10.238 387 HB3 GLN 55 HB1 GLN 55 17.291 -15.387 10.542 388 HG2 GLN 55 HG2 GLN 55 15.726 -13.850 11.802 389 HG3 GLN 55 HG1 GLN 55 14.532 -15.139 11.704 390 HE21 GLN 55 HE21 GLN 55 15.766 -13.928 14.020 391 HE22 GLN 55 HE22 GLN 55 16.525 -15.216 14.899 392 H ARG 56 HN ARG 56 14.730 -14.805 7.026 393 HA ARG 56 HA ARG 56 17.210 -15.462 5.581 394 HB2 ARG 56 HB2 ARG 56 14.376 -16.267 4.875 395 HB3 ARG 56 HB1 ARG 56 15.821 -16.676 3.962 396 HG2 ARG 56 HG2 ARG 56 16.648 -17.954 5.898 397 HG3 ARG 56 HG1 ARG 56 15.144 -17.597 6.747 398 HD2 ARG 56 HD2 ARG 56 15.002 -19.796 5.786 399 HD3 ARG 56 HD1 ARG 56 13.899 -18.723 4.927 400 HE ARG 56 HE ARG 56 16.109 -18.616 3.396 401 HH11 ARG 56 HH11 ARG 56 14.389 -21.337 4.783 402 HH12 ARG 56 HH12 ARG 56 14.757 -22.398 3.447 403 HH21 ARG 56 HH21 ARG 56 16.606 -20.015 1.665 404 HH22 ARG 56 HH22 ARG 56 16.027 -21.657 1.699 405 H GLY 57 HN GLY 57 16.128 -15.082 2.990 406 HA2 GLY 57 HA2 GLY 57 16.286 -12.262 2.734 407 HA3 GLY 57 HA1 GLY 57 15.851 -13.389 1.458 408 HA PRO 58 HA PRO 58 12.134 -10.774 2.983 409 HB2 PRO 58 HB2 PRO 58 11.824 -9.321 0.685 410 HB3 PRO 58 HB1 PRO 58 12.748 -8.759 2.082 411 HG2 PRO 58 HG2 PRO 58 13.719 -10.006 -0.459 412 HG3 PRO 58 HG1 PRO 58 14.396 -8.642 0.452 413 HD2 PRO 58 HD2 PRO 58 15.442 -11.126 0.593 414 HD3 PRO 58 HD1 PRO 58 15.441 -10.021 1.981 415 H GLN 59 HN GLN 59 10.330 -11.944 2.742 416 HA GLN 59 HA GLN 59 10.047 -13.493 0.254 417 HB2 GLN 59 HB2 GLN 59 9.028 -14.196 3.009 418 HB3 GLN 59 HB1 GLN 59 8.954 -15.211 1.572 419 HG2 GLN 59 HG2 GLN 59 11.347 -15.400 1.517 420 HG3 GLN 59 HG1 GLN 59 11.505 -14.253 2.845 421 HE21 GLN 59 HE21 GLN 59 12.576 -15.641 4.168 422 HE22 GLN 59 HE22 GLN 59 11.821 -17.005 4.919 423 H ALA 60 HN ALA 60 8.123 -13.597 -0.759 424 HA ALA 60 HA ALA 60 6.102 -11.647 0.062 425 HB1 ALA 60 HB1 ALA 60 7.006 -11.481 -2.221 426 HB2 ALA 60 HB2 ALA 60 5.275 -11.808 -2.216 427 HB3 ALA 60 HB3 ALA 60 6.414 -13.105 -2.558 428 H ALA 61 HN ALA 61 4.370 -12.358 1.102 429 HA ALA 61 HA ALA 61 3.360 -15.054 0.464 430 HB1 ALA 61 HB1 ALA 61 2.582 -15.246 2.769 431 HB2 ALA 61 HB2 ALA 61 3.250 -13.657 3.138 432 HB3 ALA 61 HB3 ALA 61 4.326 -14.989 2.721 433 H ASN 62 HN ASN 62 1.210 -15.213 0.042 434 HA ASN 62 HA ASN 62 -0.853 -14.586 -0.668 435 HB2 ASN 62 HB2 ASN 62 -0.620 -12.259 1.256 436 HB3 ASN 62 HB1 ASN 62 -2.099 -12.924 0.572 437 HD21 ASN 62 HD21 ASN 62 0.416 -13.321 2.894 438 HD22 ASN 62 HD22 ASN 62 -0.329 -14.595 3.802 439 H VAL 63 HN VAL 63 -0.512 -14.028 -2.777 440 HA VAL 63 HA VAL 63 0.231 -11.237 -3.271 441 HB VAL 63 HB VAL 63 1.761 -12.752 -4.359 442 HG11 VAL 63 HG11 VAL 63 -0.622 -13.903 -5.798 443 HG12 VAL 63 HG12 VAL 63 0.346 -14.718 -4.567 444 HG13 VAL 63 HG13 VAL 63 1.070 -14.291 -6.118 445 HG21 VAL 63 HG21 VAL 63 1.278 -10.685 -5.515 446 HG22 VAL 63 HG22 VAL 63 -0.090 -11.436 -6.338 447 HG23 VAL 63 HG23 VAL 63 1.553 -11.979 -6.681 448 H GLN 64 HN GLN 64 -1.266 -9.918 -3.708 449 HA GLN 64 HA GLN 64 -3.916 -10.736 -4.556 450 HB2 GLN 64 HB2 GLN 64 -3.856 -9.129 -2.802 451 HB3 GLN 64 HB1 GLN 64 -2.671 -8.147 -3.644 452 HG2 GLN 64 HG2 GLN 64 -4.469 -7.749 -5.392 453 HG3 GLN 64 HG1 GLN 64 -5.597 -8.442 -4.222 454 HE21 GLN 64 HE21 GLN 64 -6.071 -7.318 -2.355 455 HE22 GLN 64 HE22 GLN 64 -5.650 -5.653 -2.134 456 H LYS 65 HN LYS 65 -4.910 -9.984 -6.461 457 HA LYS 65 HA LYS 65 -3.076 -9.597 -8.659 458 HB2 LYS 65 HB2 LYS 65 -5.348 -10.994 -8.482 459 HB3 LYS 65 HB1 LYS 65 -6.024 -9.473 -9.051 460 HG2 LYS 65 HG2 LYS 65 -5.554 -11.022 -10.884 461 HG3 LYS 65 HG1 LYS 65 -4.602 -9.542 -11.012 462 HD2 LYS 65 HD2 LYS 65 -2.627 -10.609 -10.381 463 HD3 LYS 65 HD1 LYS 65 -3.488 -11.962 -9.642 464 HE2 LYS 65 HE2 LYS 65 -3.306 -11.359 -12.590 465 HE3 LYS 65 HE1 LYS 65 -2.442 -12.635 -11.734 466 HZ1 LYS 65 HZ1 LYS 65 -4.673 -13.558 -11.119 467 HZ2 LYS 65 HZ2 LYS 65 -4.324 -13.604 -12.778 468 HZ3 LYS 65 HZ3 LYS 65 -5.374 -12.429 -12.174 469 H ALA 66 HN ALA 66 -3.110 -7.832 -10.094 470 HA ALA 66 HA ALA 66 -4.347 -5.396 -8.993 471 HB1 ALA 66 HB1 ALA 66 -1.920 -5.373 -8.675 472 HB2 ALA 66 HB2 ALA 66 -2.427 -4.131 -9.821 473 HB3 ALA 66 HB3 ALA 66 -1.690 -5.622 -10.405 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 1.690 -2.852 1.333 2 H2 MET 1 HT2 MET 1 0.249 -2.002 1.614 3 H3 MET 1 HT3 MET 1 1.698 -1.155 1.373 4 HA MET 1 HA MET 1 0.352 -2.862 -0.634 5 HB2 MET 1 HB2 MET 1 -0.048 -0.684 -1.815 6 HB3 MET 1 HB1 MET 1 -0.962 -0.876 -0.327 7 HG2 MET 1 HG2 MET 1 0.559 0.574 0.850 8 HG3 MET 1 HG1 MET 1 1.598 0.690 -0.570 9 HE1 MET 1 HE1 MET 1 1.546 3.334 -0.336 10 HE2 MET 1 HE2 MET 1 0.486 3.195 1.066 11 HE3 MET 1 HE3 MET 1 0.058 4.275 -0.260 12 H GLU 2 HN GLU 2 2.216 -3.943 -1.232 13 HA GLU 2 HA GLU 2 4.507 -2.274 -1.971 14 HB2 GLU 2 HB2 GLU 2 4.427 -5.262 -1.552 15 HB3 GLU 2 HB1 GLU 2 5.861 -4.268 -1.773 16 HG2 GLU 2 HG2 GLU 2 3.987 -4.297 0.571 17 HG3 GLU 2 HG1 GLU 2 5.683 -4.774 0.530 18 H GLN 3 HN GLN 3 4.982 -1.964 -4.009 19 HA GLN 3 HA GLN 3 3.564 -3.524 -6.045 20 HB2 GLN 3 HB2 GLN 3 3.553 -0.924 -5.871 21 HB3 GLN 3 HB1 GLN 3 5.168 -1.025 -6.551 22 HG2 GLN 3 HG2 GLN 3 2.780 -2.261 -7.878 23 HG3 GLN 3 HG1 GLN 3 3.271 -0.594 -8.160 24 HE21 GLN 3 HE21 GLN 3 3.116 -2.848 -9.995 25 HE22 GLN 3 HE22 GLN 3 4.701 -3.010 -10.678 26 H GLY 4 HN GLY 4 4.653 -4.819 -7.470 27 HA2 GLY 4 HA2 GLY 4 7.564 -4.576 -7.641 28 HA3 GLY 4 HA1 GLY 4 6.922 -6.096 -7.038 29 H THR 5 HN THR 5 8.504 -5.721 -9.382 30 HA THR 5 HA THR 5 6.564 -6.439 -11.481 31 HB THR 5 HB THR 5 9.440 -5.657 -11.948 32 HG1 THR 5 HG1 THR 5 7.262 -3.854 -12.213 33 HG21 THR 5 HG21 THR 5 8.604 -5.105 -14.192 34 HG22 THR 5 HG22 THR 5 6.984 -5.609 -13.711 35 HG23 THR 5 HG23 THR 5 8.289 -6.793 -13.787 36 H VAL 6 HN VAL 6 6.479 -8.532 -12.006 37 HA VAL 6 HA VAL 6 8.234 -10.454 -10.850 38 HB VAL 6 HB VAL 6 6.292 -10.847 -13.138 39 HG11 VAL 6 HG11 VAL 6 6.293 -13.195 -12.450 40 HG12 VAL 6 HG12 VAL 6 7.497 -12.831 -11.211 41 HG13 VAL 6 HG13 VAL 6 7.909 -12.659 -12.918 42 HG21 VAL 6 HG21 VAL 6 5.142 -9.915 -11.217 43 HG22 VAL 6 HG22 VAL 6 5.869 -11.132 -10.165 44 HG23 VAL 6 HG23 VAL 6 4.713 -11.616 -11.408 45 H LYS 7 HN LYS 7 10.244 -10.840 -11.493 46 HA LYS 7 HA LYS 7 11.079 -9.978 -14.135 47 HB2 LYS 7 HB2 LYS 7 12.506 -9.334 -12.283 48 HB3 LYS 7 HB1 LYS 7 12.675 -11.010 -11.783 49 HG2 LYS 7 HG2 LYS 7 13.888 -11.528 -13.815 50 HG3 LYS 7 HG1 LYS 7 13.657 -9.880 -14.397 51 HD2 LYS 7 HD2 LYS 7 15.166 -10.647 -11.896 52 HD3 LYS 7 HD1 LYS 7 15.908 -10.255 -13.448 53 HE2 LYS 7 HE2 LYS 7 14.820 -8.020 -13.331 54 HE3 LYS 7 HE1 LYS 7 14.245 -8.431 -11.717 55 HZ1 LYS 7 HZ1 LYS 7 16.254 -7.105 -11.638 56 HZ2 LYS 7 HZ2 LYS 7 17.093 -8.257 -12.553 57 HZ3 LYS 7 HZ3 LYS 7 16.546 -8.647 -10.991 58 H TRP 8 HN TRP 8 11.197 -12.959 -12.185 59 HA TRP 8 HA TRP 8 11.005 -14.607 -14.519 60 HB2 TRP 8 HB2 TRP 8 13.421 -13.774 -14.519 61 HB3 TRP 8 HB1 TRP 8 13.645 -14.701 -13.041 62 HD1 TRP 8 HD1 TRP 8 14.504 -17.087 -13.385 63 HE1 TRP 8 HE1 TRP 8 14.611 -18.743 -15.352 64 HE3 TRP 8 HE3 TRP 8 11.913 -14.383 -16.871 65 HZ2 TRP 8 HZ2 TRP 8 13.712 -18.885 -18.022 66 HZ3 TRP 8 HZ3 TRP 8 11.578 -15.356 -19.104 67 HH2 TRP 8 HH2 TRP 8 12.461 -17.559 -19.665 68 H PHE 9 HN PHE 9 11.454 -16.988 -13.828 69 HA PHE 9 HA PHE 9 10.859 -17.349 -10.980 70 HB2 PHE 9 HB2 PHE 9 9.365 -19.264 -11.595 71 HB3 PHE 9 HB1 PHE 9 8.751 -17.693 -12.077 72 HD1 PHE 9 HD1 PHE 9 9.104 -17.000 -14.528 73 HD2 PHE 9 HD2 PHE 9 9.523 -20.995 -13.126 74 HE1 PHE 9 HE1 PHE 9 8.792 -17.832 -16.820 75 HE2 PHE 9 HE2 PHE 9 9.216 -21.836 -15.417 76 HZ PHE 9 HZ PHE 9 8.851 -20.252 -17.269 77 H ASN 10 HN ASN 10 12.880 -17.972 -10.400 78 HA ASN 10 HA ASN 10 14.469 -19.674 -12.021 79 HB2 ASN 10 HB2 ASN 10 15.879 -19.876 -9.853 80 HB3 ASN 10 HB1 ASN 10 15.788 -18.329 -10.676 81 HD21 ASN 10 HD21 ASN 10 13.198 -19.631 -8.679 82 HD22 ASN 10 HD22 ASN 10 13.351 -18.455 -7.419 83 H ALA 11 HN ALA 11 13.430 -21.507 -12.495 84 HA ALA 11 HA ALA 11 12.051 -23.202 -10.766 85 HB1 ALA 11 HB1 ALA 11 13.550 -23.917 -13.282 86 HB2 ALA 11 HB2 ALA 11 11.882 -23.348 -13.190 87 HB3 ALA 11 HB3 ALA 11 12.322 -24.909 -12.495 88 H GLU 12 HN GLU 12 15.470 -22.829 -11.298 89 HA GLU 12 HA GLU 12 16.488 -25.207 -10.278 90 HB2 GLU 12 HB2 GLU 12 17.839 -23.365 -11.263 91 HB3 GLU 12 HB1 GLU 12 17.560 -22.415 -9.812 92 HG2 GLU 12 HG2 GLU 12 19.699 -23.328 -9.568 93 HG3 GLU 12 HG1 GLU 12 18.652 -24.295 -8.529 94 H LYS 13 HN LYS 13 15.356 -22.317 -8.598 95 HA LYS 13 HA LYS 13 15.791 -23.617 -6.017 96 HB2 LYS 13 HB2 LYS 13 15.053 -20.767 -6.720 97 HB3 LYS 13 HB1 LYS 13 15.305 -21.361 -5.081 98 HG2 LYS 13 HG2 LYS 13 17.597 -21.793 -5.492 99 HG3 LYS 13 HG1 LYS 13 17.401 -21.557 -7.225 100 HD2 LYS 13 HD2 LYS 13 16.890 -19.175 -6.811 101 HD3 LYS 13 HD1 LYS 13 17.178 -19.437 -5.087 102 HE2 LYS 13 HE2 LYS 13 19.463 -20.035 -5.497 103 HE3 LYS 13 HE1 LYS 13 19.209 -20.013 -7.239 104 HZ1 LYS 13 HZ1 LYS 13 20.316 -18.023 -6.612 105 HZ2 LYS 13 HZ2 LYS 13 19.187 -17.678 -5.399 106 HZ3 LYS 13 HZ3 LYS 13 18.728 -17.601 -7.031 107 H GLY 14 HN GLY 14 13.337 -22.813 -8.260 108 HA2 GLY 14 HA2 GLY 14 11.200 -23.682 -8.361 109 HA3 GLY 14 HA1 GLY 14 11.443 -24.383 -6.771 110 H PHE 15 HN PHE 15 11.618 -20.990 -7.806 111 HA PHE 15 HA PHE 15 9.182 -20.364 -6.343 112 HB2 PHE 15 HB2 PHE 15 11.864 -19.166 -5.593 113 HB3 PHE 15 HB1 PHE 15 10.312 -18.555 -5.040 114 HD1 PHE 15 HD1 PHE 15 8.792 -20.389 -3.864 115 HD2 PHE 15 HD2 PHE 15 13.027 -20.585 -4.226 116 HE1 PHE 15 HE1 PHE 15 8.880 -21.927 -1.945 117 HE2 PHE 15 HE2 PHE 15 13.122 -22.125 -2.310 118 HZ PHE 15 HZ PHE 15 11.048 -22.799 -1.168 119 H GLY 16 HN GLY 16 8.730 -17.927 -6.541 120 HA2 GLY 16 HA2 GLY 16 9.440 -17.103 -9.272 121 HA3 GLY 16 HA1 GLY 16 8.092 -16.484 -8.326 122 H PHE 17 HN PHE 17 10.453 -15.182 -9.726 123 HA PHE 17 HA PHE 17 11.612 -13.818 -7.385 124 HB2 PHE 17 HB2 PHE 17 13.219 -15.073 -8.795 125 HB3 PHE 17 HB1 PHE 17 12.742 -14.099 -10.181 126 HD1 PHE 17 HD1 PHE 17 14.466 -14.060 -6.932 127 HD2 PHE 17 HD2 PHE 17 13.589 -11.897 -10.490 128 HE1 PHE 17 HE1 PHE 17 16.193 -12.410 -6.355 129 HE2 PHE 17 HE2 PHE 17 15.316 -10.246 -9.916 130 HZ PHE 17 HZ PHE 17 16.620 -10.502 -7.848 131 H ILE 18 HN ILE 18 11.369 -11.694 -7.175 132 HA ILE 18 HA ILE 18 10.027 -10.205 -9.336 133 HB ILE 18 HB ILE 18 9.396 -10.104 -6.377 134 HG12 ILE 18 HG12 ILE 18 7.697 -10.985 -8.720 135 HG13 ILE 18 HG11 ILE 18 8.480 -12.071 -7.576 136 HG21 ILE 18 HG21 ILE 18 7.637 -8.510 -6.974 137 HG22 ILE 18 HG22 ILE 18 8.199 -8.519 -8.645 138 HG23 ILE 18 HG23 ILE 18 9.239 -7.885 -7.369 139 HD11 ILE 18 HD11 ILE 18 6.142 -11.822 -7.042 140 HD12 ILE 18 HD12 ILE 18 6.322 -10.070 -6.953 141 HD13 ILE 18 HD13 ILE 18 7.129 -11.101 -5.770 142 H GLU 19 HN GLU 19 10.666 -8.134 -9.653 143 HA GLU 19 HA GLU 19 12.997 -7.210 -8.121 144 HB2 GLU 19 HB2 GLU 19 13.406 -7.484 -10.507 145 HB3 GLU 19 HB1 GLU 19 12.011 -6.486 -10.888 146 HG2 GLU 19 HG2 GLU 19 13.084 -4.535 -10.008 147 HG3 GLU 19 HG1 GLU 19 14.438 -5.493 -9.411 148 H ARG 20 HN ARG 20 13.073 -5.139 -7.292 149 HA ARG 20 HA ARG 20 10.701 -3.447 -7.596 150 HB2 ARG 20 HB2 ARG 20 11.957 -4.356 -5.027 151 HB3 ARG 20 HB1 ARG 20 11.129 -2.809 -5.116 152 HG2 ARG 20 HG2 ARG 20 9.131 -4.109 -6.007 153 HG3 ARG 20 HG1 ARG 20 9.985 -5.559 -5.469 154 HD2 ARG 20 HD2 ARG 20 8.374 -4.680 -3.797 155 HD3 ARG 20 HD1 ARG 20 10.036 -4.749 -3.205 156 HE ARG 20 HE ARG 20 9.818 -2.214 -4.177 157 HH11 ARG 20 HH11 ARG 20 7.995 -4.086 -1.865 158 HH12 ARG 20 HH12 ARG 20 7.466 -2.705 -0.950 159 HH21 ARG 20 HH21 ARG 20 9.155 -0.387 -3.002 160 HH22 ARG 20 HH22 ARG 20 8.111 -0.587 -1.623 161 H GLU 21 HN GLU 21 11.256 -1.271 -6.355 162 HA GLU 21 HA GLU 21 13.494 -0.153 -7.756 163 HB2 GLU 21 HB2 GLU 21 12.585 1.773 -5.950 164 HB3 GLU 21 HB1 GLU 21 12.150 1.630 -7.643 165 HG2 GLU 21 HG2 GLU 21 10.140 1.822 -6.414 166 HG3 GLU 21 HG1 GLU 21 10.260 0.151 -6.952 167 H ASN 22 HN ASN 22 12.815 -1.187 -4.490 168 HA ASN 22 HA ASN 22 15.250 -0.035 -3.428 169 HB2 ASN 22 HB2 ASN 22 13.090 -1.774 -2.267 170 HB3 ASN 22 HB1 ASN 22 14.604 -1.533 -1.408 171 HD21 ASN 22 HD21 ASN 22 13.057 0.919 -3.385 172 HD22 ASN 22 HD22 ASN 22 12.642 1.969 -2.078 173 H GLY 23 HN GLY 23 14.862 -2.428 -5.507 174 HA2 GLY 23 HA2 GLY 23 17.044 -3.629 -5.908 175 HA3 GLY 23 HA1 GLY 23 16.871 -4.186 -4.247 176 H ASP 24 HN ASP 24 17.155 -6.055 -6.184 177 HA ASP 24 HA ASP 24 14.431 -7.135 -6.386 178 HB2 ASP 24 HB2 ASP 24 15.031 -8.222 -8.499 179 HB3 ASP 24 HB1 ASP 24 15.153 -6.473 -8.610 180 H ASP 25 HN ASP 25 14.286 -8.638 -4.930 181 HA ASP 25 HA ASP 25 15.715 -11.076 -5.193 182 HB2 ASP 25 HB2 ASP 25 17.380 -9.640 -3.913 183 HB3 ASP 25 HB1 ASP 25 16.209 -9.588 -2.602 184 H VAL 26 HN VAL 26 13.027 -9.911 -5.112 185 HA VAL 26 HA VAL 26 11.887 -10.849 -2.597 186 HB VAL 26 HB VAL 26 10.473 -9.624 -4.975 187 HG11 VAL 26 HG11 VAL 26 9.019 -10.927 -3.507 188 HG12 VAL 26 HG12 VAL 26 8.661 -9.204 -3.395 189 HG13 VAL 26 HG13 VAL 26 9.583 -9.998 -2.119 190 HG21 VAL 26 HG21 VAL 26 10.487 -7.531 -3.733 191 HG22 VAL 26 HG22 VAL 26 12.136 -8.083 -4.033 192 HG23 VAL 26 HG23 VAL 26 11.413 -8.290 -2.437 193 H PHE 27 HN PHE 27 11.343 -12.915 -2.404 194 HA PHE 27 HA PHE 27 10.752 -14.437 -4.835 195 HB2 PHE 27 HB2 PHE 27 11.654 -15.253 -2.088 196 HB3 PHE 27 HB1 PHE 27 10.952 -16.423 -3.199 197 HD1 PHE 27 HD1 PHE 27 13.781 -14.136 -2.643 198 HD2 PHE 27 HD2 PHE 27 12.165 -17.236 -5.066 199 HE1 PHE 27 HE1 PHE 27 15.971 -14.435 -3.721 200 HE2 PHE 27 HE2 PHE 27 14.354 -17.542 -6.142 201 HZ PHE 27 HZ PHE 27 16.260 -16.139 -5.470 202 H VAL 28 HN VAL 28 8.755 -14.918 -5.336 203 HA VAL 28 HA VAL 28 6.668 -14.660 -3.308 204 HB VAL 28 HB VAL 28 6.285 -13.490 -5.431 205 HG11 VAL 28 HG11 VAL 28 5.896 -14.693 -7.505 206 HG12 VAL 28 HG12 VAL 28 6.271 -16.221 -6.709 207 HG13 VAL 28 HG13 VAL 28 7.529 -14.999 -6.911 208 HG21 VAL 28 HG21 VAL 28 4.348 -14.241 -4.190 209 HG22 VAL 28 HG22 VAL 28 4.417 -15.813 -4.988 210 HG23 VAL 28 HG23 VAL 28 4.038 -14.365 -5.923 211 H HIS 29 HN HIS 29 5.430 -16.315 -2.618 212 HA HIS 29 HA HIS 29 6.300 -19.016 -3.363 213 HB2 HIS 29 HB2 HIS 29 4.713 -18.018 -0.984 214 HB3 HIS 29 HB1 HIS 29 5.044 -19.716 -1.304 215 HD1 HIS 29 HD1 HIS 29 6.120 -17.439 0.972 216 HD2 HIS 29 HD2 HIS 29 8.207 -19.679 -1.847 217 HE1 HIS 29 HE1 HIS 29 8.490 -17.548 1.808 218 HE2 HIS 29 HE2 HIS 29 9.653 -19.135 0.232 219 H PHE 30 HN PHE 30 4.691 -20.670 -3.707 220 HA PHE 30 HA PHE 30 2.757 -19.794 -5.585 221 HB2 PHE 30 HB2 PHE 30 3.093 -22.523 -4.323 222 HB3 PHE 30 HB1 PHE 30 2.132 -22.168 -5.754 223 HD1 PHE 30 HD2 PHE 30 3.299 -21.346 -7.819 224 HD2 PHE 30 HD1 PHE 30 5.401 -22.915 -4.469 225 HE1 PHE 30 HE2 PHE 30 5.280 -21.705 -9.234 226 HE2 PHE 30 HE1 PHE 30 7.382 -23.281 -5.881 227 HZ PHE 30 HZ PHE 30 7.323 -22.674 -8.264 228 H SER 31 HN SER 31 2.552 -20.920 -2.253 229 HA SER 31 HA SER 31 -0.308 -20.869 -2.186 230 HB2 SER 31 HB2 SER 31 1.016 -22.356 -0.729 231 HB3 SER 31 HB1 SER 31 1.679 -20.946 0.097 232 HG SER 31 HG SER 31 -0.595 -20.419 0.572 233 H ALA 32 HN ALA 32 1.875 -18.423 -2.357 234 HA ALA 32 HA ALA 32 0.456 -16.616 -0.548 235 HB1 ALA 32 HB1 ALA 32 2.868 -16.532 -0.443 236 HB2 ALA 32 HB2 ALA 32 2.259 -15.021 -1.116 237 HB3 ALA 32 HB3 ALA 32 2.967 -16.235 -2.178 238 H ILE 33 HN ILE 33 0.225 -17.689 -3.656 239 HA ILE 33 HA ILE 33 -0.575 -15.167 -4.855 240 HB ILE 33 HB ILE 33 -0.596 -17.977 -5.982 241 HG12 ILE 33 HG12 ILE 33 1.370 -15.704 -6.353 242 HG13 ILE 33 HG11 ILE 33 1.661 -17.167 -5.417 243 HG21 ILE 33 HG21 ILE 33 -0.951 -15.316 -7.358 244 HG22 ILE 33 HG22 ILE 33 -2.186 -16.557 -7.147 245 HG23 ILE 33 HG23 ILE 33 -0.786 -16.869 -8.175 246 HD11 ILE 33 HD11 ILE 33 1.193 -17.026 -8.387 247 HD12 ILE 33 HD12 ILE 33 1.481 -18.496 -7.457 248 HD13 ILE 33 HD13 ILE 33 2.744 -17.272 -7.582 249 H GLN 34 HN GLN 34 -2.715 -14.804 -5.664 250 HA GLN 34 HA GLN 34 -4.675 -15.694 -3.756 251 HB2 GLN 34 HB2 GLN 34 -6.057 -13.974 -4.563 252 HB3 GLN 34 HB1 GLN 34 -4.432 -13.323 -4.645 253 HG2 GLN 34 HG2 GLN 34 -5.771 -14.548 -7.033 254 HG3 GLN 34 HG1 GLN 34 -6.023 -12.866 -6.586 255 HE21 GLN 34 HE21 GLN 34 -5.114 -12.057 -8.430 256 HE22 GLN 34 HE22 GLN 34 -3.420 -12.156 -8.768 257 H GLY 35 HN GLY 35 -3.560 -17.346 -6.200 258 HA2 GLY 35 HA2 GLY 35 -6.217 -18.320 -7.037 259 HA3 GLY 35 HA1 GLY 35 -4.848 -18.252 -8.136 260 H ASP 36 HN ASP 36 -6.038 -20.600 -7.974 261 HA ASP 36 HA ASP 36 -4.289 -22.214 -6.224 262 HB2 ASP 36 HB2 ASP 36 -6.791 -22.390 -5.811 263 HB3 ASP 36 HB1 ASP 36 -6.926 -23.104 -7.414 264 H GLY 37 HN GLY 37 -6.183 -22.621 -9.218 265 HA2 GLY 37 HA2 GLY 37 -4.298 -24.371 -10.436 266 HA3 GLY 37 HA1 GLY 37 -5.621 -23.542 -11.251 267 H PHE 38 HN PHE 38 -4.837 -20.907 -10.498 268 HA PHE 38 HA PHE 38 -2.554 -20.520 -12.265 269 HB2 PHE 38 HB2 PHE 38 -4.472 -18.578 -10.971 270 HB3 PHE 38 HB1 PHE 38 -3.082 -18.072 -11.923 271 HD1 PHE 38 HD1 PHE 38 -3.014 -18.471 -14.330 272 HD2 PHE 38 HD2 PHE 38 -6.432 -19.475 -12.006 273 HE1 PHE 38 HE1 PHE 38 -4.355 -18.632 -16.385 274 HE2 PHE 38 HE2 PHE 38 -7.783 -19.635 -14.056 275 HZ PHE 38 HZ PHE 38 -6.744 -19.215 -16.250 276 H LYS 39 HN LYS 39 -0.908 -21.343 -10.954 277 HA LYS 39 HA LYS 39 -0.273 -19.683 -8.604 278 HB2 LYS 39 HB2 LYS 39 0.780 -21.484 -7.568 279 HB3 LYS 39 HB1 LYS 39 -0.605 -22.241 -8.334 280 HG2 LYS 39 HG2 LYS 39 2.192 -22.230 -9.455 281 HG3 LYS 39 HG1 LYS 39 1.481 -23.546 -8.526 282 HD2 LYS 39 HD2 LYS 39 0.394 -22.508 -11.142 283 HD3 LYS 39 HD1 LYS 39 1.439 -23.915 -10.982 284 HE2 LYS 39 HE2 LYS 39 -1.272 -23.604 -9.700 285 HE3 LYS 39 HE1 LYS 39 -0.944 -24.511 -11.174 286 HZ1 LYS 39 HZ1 LYS 39 0.703 -25.804 -9.729 287 HZ2 LYS 39 HZ2 LYS 39 -0.956 -26.110 -9.519 288 HZ3 LYS 39 HZ3 LYS 39 -0.129 -25.132 -8.405 289 H SER 40 HN SER 40 0.280 -19.613 -11.654 290 HA SER 40 HA SER 40 3.166 -19.106 -11.444 291 HB2 SER 40 HB2 SER 40 3.058 -19.449 -14.007 292 HB3 SER 40 HB1 SER 40 2.949 -20.877 -12.979 293 HG SER 40 HG SER 40 1.059 -21.248 -13.799 294 H LEU 41 HN LEU 41 3.961 -17.215 -12.369 295 HA LEU 41 HA LEU 41 1.919 -15.227 -13.098 296 HB2 LEU 41 HB2 LEU 41 4.549 -14.816 -11.676 297 HB3 LEU 41 HB1 LEU 41 3.510 -13.518 -12.232 298 HG LEU 41 HG LEU 41 2.765 -15.574 -10.145 299 HD11 LEU 41 HD11 LEU 41 4.463 -14.022 -9.338 300 HD12 LEU 41 HD12 LEU 41 2.902 -13.705 -8.572 301 HD13 LEU 41 HD13 LEU 41 3.478 -12.656 -9.871 302 HD21 LEU 41 HD21 LEU 41 0.823 -14.105 -9.760 303 HD22 LEU 41 HD22 LEU 41 0.815 -14.823 -11.370 304 HD23 LEU 41 HD23 LEU 41 1.297 -13.140 -11.157 305 H ASP 42 HN ASP 42 2.491 -13.693 -14.705 306 HA ASP 42 HA ASP 42 4.180 -14.837 -16.758 307 HB2 ASP 42 HB2 ASP 42 1.949 -13.897 -17.296 308 HB3 ASP 42 HB1 ASP 42 2.524 -12.304 -16.813 309 H GLU 43 HN GLU 43 6.150 -14.209 -17.290 310 HA GLU 43 HA GLU 43 7.651 -12.513 -15.623 311 HB2 GLU 43 HB2 GLU 43 8.407 -13.308 -18.433 312 HB3 GLU 43 HB1 GLU 43 9.484 -12.916 -17.103 313 HG2 GLU 43 HG2 GLU 43 9.669 -15.165 -17.046 314 HG3 GLU 43 HG1 GLU 43 8.262 -14.994 -15.999 315 H GLY 44 HN GLY 44 7.683 -10.380 -15.539 316 HA2 GLY 44 HA2 GLY 44 8.301 -8.332 -16.636 317 HA3 GLY 44 HA1 GLY 44 7.448 -8.888 -18.066 318 H GLN 45 HN GLN 45 5.389 -9.755 -15.721 319 HA GLN 45 HA GLN 45 3.818 -7.355 -16.165 320 HB2 GLN 45 HB2 GLN 45 1.940 -8.551 -15.408 321 HB3 GLN 45 HB1 GLN 45 2.879 -9.711 -16.333 322 HG2 GLN 45 HG2 GLN 45 3.733 -10.692 -14.291 323 HG3 GLN 45 HG1 GLN 45 2.880 -9.482 -13.331 324 HE21 GLN 45 HE21 GLN 45 2.619 -12.356 -13.238 325 HE22 GLN 45 HE22 GLN 45 0.965 -12.717 -13.610 326 H ALA 46 HN ALA 46 2.824 -6.156 -14.497 327 HA ALA 46 HA ALA 46 4.477 -5.975 -12.093 328 HB1 ALA 46 HB1 ALA 46 4.117 -3.936 -13.413 329 HB2 ALA 46 HB2 ALA 46 3.451 -3.791 -11.786 330 HB3 ALA 46 HB3 ALA 46 2.380 -4.087 -13.153 331 H VAL 47 HN VAL 47 3.687 -6.266 -10.060 332 HA VAL 47 HA VAL 47 0.836 -6.910 -9.780 333 HB VAL 47 HB VAL 47 1.393 -8.768 -8.230 334 HG11 VAL 47 HG11 VAL 47 1.995 -10.408 -9.958 335 HG12 VAL 47 HG12 VAL 47 2.440 -9.088 -11.039 336 HG13 VAL 47 HG13 VAL 47 0.766 -9.272 -10.514 337 HG21 VAL 47 HG21 VAL 47 3.653 -9.747 -8.290 338 HG22 VAL 47 HG22 VAL 47 3.643 -8.122 -7.603 339 HG23 VAL 47 HG23 VAL 47 4.203 -8.376 -9.255 340 H THR 48 HN THR 48 0.136 -6.915 -7.492 341 HA THR 48 HA THR 48 1.824 -5.198 -5.791 342 HB THR 48 HB THR 48 -1.204 -5.177 -5.855 343 HG1 THR 48 HG1 THR 48 0.600 -3.986 -7.498 344 HG21 THR 48 HG21 THR 48 -0.181 -4.487 -3.719 345 HG22 THR 48 HG22 THR 48 -0.977 -3.139 -4.530 346 HG23 THR 48 HG23 THR 48 0.779 -3.284 -4.580 347 H PHE 49 HN PHE 49 2.074 -5.913 -3.701 348 HA PHE 49 HA PHE 49 0.439 -8.141 -2.776 349 HB2 PHE 49 HB2 PHE 49 2.466 -9.496 -2.241 350 HB3 PHE 49 HB1 PHE 49 2.182 -9.302 -3.967 351 HD1 PHE 49 HD2 PHE 49 3.672 -7.971 -5.333 352 HD2 PHE 49 HD1 PHE 49 4.374 -8.468 -1.165 353 HE1 PHE 49 HE2 PHE 49 5.966 -7.130 -5.624 354 HE2 PHE 49 HE1 PHE 49 6.669 -7.632 -1.447 355 HZ PHE 49 HZ PHE 49 7.468 -6.960 -3.678 356 H ASP 50 HN ASP 50 1.082 -8.798 -0.530 357 HA ASP 50 HA ASP 50 1.902 -6.422 1.009 358 HB2 ASP 50 HB2 ASP 50 -0.293 -7.376 1.612 359 HB3 ASP 50 HB1 ASP 50 0.471 -8.926 1.947 360 H VAL 51 HN VAL 51 4.003 -6.410 1.517 361 HA VAL 51 HA VAL 51 5.558 -8.785 1.221 362 HB VAL 51 HB VAL 51 6.394 -6.514 0.608 363 HG11 VAL 51 HG11 VAL 51 6.663 -6.147 3.589 364 HG12 VAL 51 HG12 VAL 51 5.574 -5.259 2.524 365 HG13 VAL 51 HG13 VAL 51 7.320 -5.070 2.356 366 HG21 VAL 51 HG21 VAL 51 8.686 -6.870 1.433 367 HG22 VAL 51 HG22 VAL 51 7.947 -8.353 0.829 368 HG23 VAL 51 HG23 VAL 51 8.073 -8.075 2.566 369 H GLU 52 HN GLU 52 6.306 -10.152 2.685 370 HA GLU 52 HA GLU 52 6.097 -9.409 5.524 371 HB2 GLU 52 HB2 GLU 52 5.731 -12.159 4.308 372 HB3 GLU 52 HB1 GLU 52 5.793 -11.819 6.031 373 HG2 GLU 52 HG2 GLU 52 3.813 -10.230 5.550 374 HG3 GLU 52 HG1 GLU 52 3.655 -11.149 4.053 375 H GLU 53 HN GLU 53 7.782 -10.186 6.872 376 HA GLU 53 HA GLU 53 10.311 -10.222 5.492 377 HB2 GLU 53 HB2 GLU 53 9.654 -10.395 8.435 378 HB3 GLU 53 HB1 GLU 53 11.277 -10.255 7.774 379 HG2 GLU 53 HG2 GLU 53 10.585 -8.094 6.743 380 HG3 GLU 53 HG1 GLU 53 9.062 -8.228 7.624 381 H GLY 54 HN GLY 54 11.458 -11.929 4.976 382 HA2 GLY 54 HA2 GLY 54 10.614 -14.563 5.944 383 HA3 GLY 54 HA1 GLY 54 11.710 -14.247 4.599 384 H GLN 55 HN GLN 55 12.692 -16.086 6.116 385 HA GLN 55 HA GLN 55 14.011 -15.152 8.467 386 HB2 GLN 55 HB2 GLN 55 14.472 -17.655 6.837 387 HB3 GLN 55 HB1 GLN 55 15.176 -17.337 8.418 388 HG2 GLN 55 HG2 GLN 55 12.826 -17.133 9.297 389 HG3 GLN 55 HG1 GLN 55 12.279 -17.747 7.737 390 HE21 GLN 55 HE21 GLN 55 13.922 -18.481 10.696 391 HE22 GLN 55 HE22 GLN 55 13.935 -20.208 10.509 392 H ARG 56 HN ARG 56 14.983 -15.545 5.082 393 HA ARG 56 HA ARG 56 17.477 -14.144 5.781 394 HB2 ARG 56 HB2 ARG 56 17.337 -16.420 3.802 395 HB3 ARG 56 HB1 ARG 56 18.772 -15.519 4.265 396 HG2 ARG 56 HG2 ARG 56 18.340 -16.362 6.627 397 HG3 ARG 56 HG1 ARG 56 17.206 -17.494 5.885 398 HD2 ARG 56 HD2 ARG 56 20.177 -17.283 5.503 399 HD3 ARG 56 HD1 ARG 56 19.234 -18.669 6.047 400 HE ARG 56 HE ARG 56 19.300 -17.646 3.274 401 HH11 ARG 56 HH11 ARG 56 18.767 -20.248 5.566 402 HH12 ARG 56 HH12 ARG 56 18.659 -21.475 4.333 403 HH21 ARG 56 HH21 ARG 56 19.174 -19.245 1.671 404 HH22 ARG 56 HH22 ARG 56 18.922 -20.903 2.112 405 H GLY 57 HN GLY 57 14.738 -13.692 4.267 406 HA2 GLY 57 HA2 GLY 57 15.724 -11.681 2.561 407 HA3 GLY 57 HA1 GLY 57 15.353 -13.104 1.600 408 HA PRO 58 HA PRO 58 11.503 -10.466 2.609 409 HB2 PRO 58 HB2 PRO 58 11.712 -9.313 -0.070 410 HB3 PRO 58 HB1 PRO 58 11.555 -8.495 1.486 411 HG2 PRO 58 HG2 PRO 58 13.830 -8.417 0.023 412 HG3 PRO 58 HG1 PRO 58 13.825 -8.359 1.795 413 HD2 PRO 58 HD2 PRO 58 14.395 -10.670 -0.024 414 HD3 PRO 58 HD1 PRO 58 15.214 -10.187 1.479 415 H GLN 59 HN GLN 59 9.702 -11.591 2.244 416 HA GLN 59 HA GLN 59 9.551 -13.156 -0.241 417 HB2 GLN 59 HB2 GLN 59 7.983 -14.643 1.023 418 HB3 GLN 59 HB1 GLN 59 9.635 -14.643 1.622 419 HG2 GLN 59 HG2 GLN 59 8.977 -13.124 3.422 420 HG3 GLN 59 HG1 GLN 59 7.319 -13.139 2.822 421 HE21 GLN 59 HE21 GLN 59 8.431 -13.991 5.413 422 HE22 GLN 59 HE22 GLN 59 7.965 -15.648 5.601 423 H ALA 60 HN ALA 60 7.805 -13.019 -1.520 424 HA ALA 60 HA ALA 60 5.989 -10.808 -1.024 425 HB1 ALA 60 HB1 ALA 60 5.225 -11.172 -3.299 426 HB2 ALA 60 HB2 ALA 60 6.159 -12.663 -3.400 427 HB3 ALA 60 HB3 ALA 60 6.986 -11.113 -3.254 428 H ALA 61 HN ALA 61 4.229 -11.127 0.121 429 HA ALA 61 HA ALA 61 2.812 -13.690 -0.142 430 HB1 ALA 61 HB1 ALA 61 3.006 -11.917 2.290 431 HB2 ALA 61 HB2 ALA 61 3.786 -13.486 2.076 432 HB3 ALA 61 HB3 ALA 61 2.027 -13.381 2.167 433 H ASN 62 HN ASN 62 0.485 -13.554 0.010 434 HA ASN 62 HA ASN 62 -1.493 -12.729 -0.765 435 HB2 ASN 62 HB2 ASN 62 -0.599 -10.203 0.648 436 HB3 ASN 62 HB1 ASN 62 -2.250 -10.624 0.212 437 HD21 ASN 62 HD21 ASN 62 0.380 -11.209 2.365 438 HD22 ASN 62 HD22 ASN 62 -0.496 -12.149 3.522 439 H VAL 63 HN VAL 63 -0.628 -12.851 -2.934 440 HA VAL 63 HA VAL 63 0.225 -10.330 -4.120 441 HB VAL 63 HB VAL 63 -0.003 -13.061 -5.401 442 HG11 VAL 63 HG11 VAL 63 1.428 -12.136 -7.149 443 HG12 VAL 63 HG12 VAL 63 1.409 -10.567 -6.346 444 HG13 VAL 63 HG13 VAL 63 -0.079 -11.230 -7.021 445 HG21 VAL 63 HG21 VAL 63 2.434 -13.170 -5.157 446 HG22 VAL 63 HG22 VAL 63 1.620 -13.082 -3.593 447 HG23 VAL 63 HG23 VAL 63 2.406 -11.649 -4.260 448 H GLN 64 HN GLN 64 -0.956 -9.164 -5.537 449 HA GLN 64 HA GLN 64 -3.515 -10.260 -6.475 450 HB2 GLN 64 HB2 GLN 64 -3.803 -8.770 -4.458 451 HB3 GLN 64 HB1 GLN 64 -3.158 -7.449 -5.420 452 HG2 GLN 64 HG2 GLN 64 -5.012 -7.577 -6.937 453 HG3 GLN 64 HG1 GLN 64 -5.620 -9.022 -6.130 454 HE21 GLN 64 HE21 GLN 64 -5.273 -5.574 -5.969 455 HE22 GLN 64 HE22 GLN 64 -6.354 -5.327 -4.639 456 H LYS 65 HN LYS 65 -4.161 -9.511 -8.511 457 HA LYS 65 HA LYS 65 -2.075 -8.780 -10.281 458 HB2 LYS 65 HB2 LYS 65 -4.126 -10.115 -10.864 459 HB3 LYS 65 HB1 LYS 65 -5.054 -8.626 -10.782 460 HG2 LYS 65 HG2 LYS 65 -4.517 -9.198 -13.078 461 HG3 LYS 65 HG1 LYS 65 -3.727 -7.692 -12.609 462 HD2 LYS 65 HD2 LYS 65 -1.620 -8.714 -12.460 463 HD3 LYS 65 HD1 LYS 65 -2.313 -10.335 -12.412 464 HE2 LYS 65 HE2 LYS 65 -1.279 -9.902 -14.567 465 HE3 LYS 65 HE1 LYS 65 -3.021 -10.100 -14.741 466 HZ1 LYS 65 HZ1 LYS 65 -2.162 -8.261 -16.063 467 HZ2 LYS 65 HZ2 LYS 65 -1.599 -7.489 -14.658 468 HZ3 LYS 65 HZ3 LYS 65 -3.262 -7.715 -14.893 469 H ALA 66 HN ALA 66 -1.329 -6.811 -10.818 470 HA ALA 66 HA ALA 66 -2.497 -4.490 -9.570 471 HB1 ALA 66 HB1 ALA 66 -0.072 -4.781 -9.625 472 HB2 ALA 66 HB2 ALA 66 -0.560 -3.300 -10.447 473 HB3 ALA 66 HB3 ALA 66 -0.103 -4.720 -11.388 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 2.711 -5.751 1.379 2 H2 MET 1 HT2 MET 1 3.508 -4.360 0.798 3 H3 MET 1 HT3 MET 1 3.073 -5.602 -0.275 4 HA MET 1 HA MET 1 0.767 -5.179 0.027 5 HB2 MET 1 HB2 MET 1 1.719 -3.083 1.992 6 HB3 MET 1 HB1 MET 1 0.065 -3.219 1.411 7 HG2 MET 1 HG2 MET 1 -0.118 -5.429 2.400 8 HG3 MET 1 HG1 MET 1 1.553 -5.334 2.950 9 HE1 MET 1 HE1 MET 1 -0.722 -6.106 4.891 10 HE2 MET 1 HE2 MET 1 -0.409 -5.088 6.298 11 HE3 MET 1 HE3 MET 1 0.933 -5.860 5.450 12 H GLU 2 HN GLU 2 3.328 -4.160 -1.368 13 HA GLU 2 HA GLU 2 2.329 -1.601 -2.396 14 HB2 GLU 2 HB2 GLU 2 5.007 -2.895 -2.958 15 HB3 GLU 2 HB1 GLU 2 4.538 -1.235 -3.286 16 HG2 GLU 2 HG2 GLU 2 5.885 -1.058 -1.411 17 HG3 GLU 2 HG1 GLU 2 4.252 -1.021 -0.747 18 H GLN 3 HN GLN 3 3.697 -1.777 -4.900 19 HA GLN 3 HA GLN 3 2.422 -4.088 -6.181 20 HB2 GLN 3 HB2 GLN 3 1.035 -2.002 -6.421 21 HB3 GLN 3 HB1 GLN 3 2.368 -1.290 -7.316 22 HG2 GLN 3 HG2 GLN 3 2.159 -2.905 -9.056 23 HG3 GLN 3 HG1 GLN 3 0.975 -3.825 -8.124 24 HE21 GLN 3 HE21 GLN 3 -1.124 -3.014 -7.893 25 HE22 GLN 3 HE22 GLN 3 -1.739 -1.785 -8.947 26 H GLY 4 HN GLY 4 3.609 -5.018 -7.798 27 HA2 GLY 4 HA2 GLY 4 5.982 -3.651 -8.799 28 HA3 GLY 4 HA1 GLY 4 6.268 -5.089 -7.833 29 H THR 5 HN THR 5 7.312 -5.709 -9.929 30 HA THR 5 HA THR 5 5.316 -6.948 -11.704 31 HB THR 5 HB THR 5 7.950 -5.682 -12.508 32 HG1 THR 5 HG1 THR 5 6.174 -4.210 -12.148 33 HG21 THR 5 HG21 THR 5 5.892 -7.075 -14.226 34 HG22 THR 5 HG22 THR 5 7.490 -7.701 -13.828 35 HG23 THR 5 HG23 THR 5 7.337 -6.243 -14.806 36 H VAL 6 HN VAL 6 5.640 -9.056 -12.228 37 HA VAL 6 HA VAL 6 7.559 -10.592 -10.764 38 HB VAL 6 HB VAL 6 5.911 -11.467 -13.149 39 HG11 VAL 6 HG11 VAL 6 6.154 -13.714 -12.201 40 HG12 VAL 6 HG12 VAL 6 7.172 -13.059 -10.917 41 HG13 VAL 6 HG13 VAL 6 7.719 -13.001 -12.592 42 HG21 VAL 6 HG21 VAL 6 4.261 -12.272 -11.528 43 HG22 VAL 6 HG22 VAL 6 4.469 -10.524 -11.427 44 HG23 VAL 6 HG23 VAL 6 5.210 -11.570 -10.217 45 H LYS 7 HN LYS 7 9.633 -10.981 -11.309 46 HA LYS 7 HA LYS 7 10.517 -10.003 -13.911 47 HB2 LYS 7 HB2 LYS 7 11.641 -9.172 -11.872 48 HB3 LYS 7 HB1 LYS 7 12.162 -10.810 -11.506 49 HG2 LYS 7 HG2 LYS 7 13.962 -9.524 -12.512 50 HG3 LYS 7 HG1 LYS 7 13.484 -10.861 -13.557 51 HD2 LYS 7 HD2 LYS 7 13.785 -8.961 -14.952 52 HD3 LYS 7 HD1 LYS 7 12.047 -9.228 -14.815 53 HE2 LYS 7 HE2 LYS 7 12.391 -6.895 -14.586 54 HE3 LYS 7 HE1 LYS 7 12.038 -7.513 -12.974 55 HZ1 LYS 7 HZ1 LYS 7 14.759 -6.939 -14.029 56 HZ2 LYS 7 HZ2 LYS 7 14.394 -7.466 -12.461 57 HZ3 LYS 7 HZ3 LYS 7 13.886 -5.933 -12.979 58 H TRP 8 HN TRP 8 10.775 -12.936 -11.908 59 HA TRP 8 HA TRP 8 10.866 -14.632 -14.200 60 HB2 TRP 8 HB2 TRP 8 13.219 -13.622 -14.076 61 HB3 TRP 8 HB1 TRP 8 13.420 -14.532 -12.584 62 HD1 TRP 8 HD1 TRP 8 12.350 -15.375 -16.224 63 HE1 TRP 8 HE1 TRP 8 13.475 -17.593 -16.884 64 HE3 TRP 8 HE3 TRP 8 14.782 -16.373 -11.841 65 HZ2 TRP 8 HZ2 TRP 8 15.171 -19.513 -15.693 66 HZ3 TRP 8 HZ3 TRP 8 16.138 -18.420 -11.685 67 HH2 TRP 8 HH2 TRP 8 16.327 -19.957 -13.573 68 H PHE 9 HN PHE 9 11.236 -16.974 -13.482 69 HA PHE 9 HA PHE 9 11.061 -17.490 -10.663 70 HB2 PHE 9 HB2 PHE 9 8.883 -18.685 -10.774 71 HB3 PHE 9 HB1 PHE 9 8.739 -16.952 -11.021 72 HD1 PHE 9 HD1 PHE 9 8.527 -16.127 -13.445 73 HD2 PHE 9 HD2 PHE 9 7.975 -20.187 -12.292 74 HE1 PHE 9 HE1 PHE 9 7.267 -16.541 -15.516 75 HE2 PHE 9 HE2 PHE 9 6.712 -20.603 -14.360 76 HZ PHE 9 HZ PHE 9 6.360 -18.781 -15.975 77 H ASN 10 HN ASN 10 12.527 -19.050 -10.500 78 HA ASN 10 HA ASN 10 12.840 -21.015 -12.592 79 HB2 ASN 10 HB2 ASN 10 14.585 -21.983 -11.022 80 HB3 ASN 10 HB1 ASN 10 14.884 -20.352 -11.607 81 HD21 ASN 10 HD21 ASN 10 14.408 -22.339 -8.875 82 HD22 ASN 10 HD22 ASN 10 14.557 -21.109 -7.674 83 H ALA 11 HN ALA 11 10.783 -21.905 -12.569 84 HA ALA 11 HA ALA 11 9.449 -22.962 -10.353 85 HB1 ALA 11 HB1 ALA 11 9.233 -23.758 -13.250 86 HB2 ALA 11 HB2 ALA 11 8.329 -22.471 -12.448 87 HB3 ALA 11 HB3 ALA 11 8.067 -24.156 -11.989 88 H GLU 12 HN GLU 12 12.024 -24.290 -12.258 89 HA GLU 12 HA GLU 12 11.661 -27.025 -11.800 90 HB2 GLU 12 HB2 GLU 12 13.281 -26.055 -13.405 91 HB3 GLU 12 HB1 GLU 12 14.275 -25.529 -12.054 92 HG2 GLU 12 HG2 GLU 12 13.815 -28.271 -11.669 93 HG3 GLU 12 HG1 GLU 12 14.205 -28.063 -13.376 94 H LYS 13 HN LYS 13 13.059 -24.521 -9.770 95 HA LYS 13 HA LYS 13 13.609 -26.553 -7.713 96 HB2 LYS 13 HB2 LYS 13 14.939 -23.905 -8.260 97 HB3 LYS 13 HB1 LYS 13 15.148 -24.770 -6.742 98 HG2 LYS 13 HG2 LYS 13 16.101 -26.659 -7.899 99 HG3 LYS 13 HG1 LYS 13 15.795 -25.895 -9.459 100 HD2 LYS 13 HD2 LYS 13 17.371 -24.150 -8.978 101 HD3 LYS 13 HD1 LYS 13 17.571 -24.726 -7.323 102 HE2 LYS 13 HE2 LYS 13 19.448 -25.395 -8.749 103 HE3 LYS 13 HE1 LYS 13 18.563 -26.788 -8.132 104 HZ1 LYS 13 HZ1 LYS 13 18.269 -25.629 -10.857 105 HZ2 LYS 13 HZ2 LYS 13 17.437 -26.984 -10.265 106 HZ3 LYS 13 HZ3 LYS 13 19.121 -27.043 -10.472 107 H GLY 14 HN GLY 14 11.460 -24.187 -8.552 108 HA2 GLY 14 HA2 GLY 14 9.553 -23.588 -7.387 109 HA3 GLY 14 HA1 GLY 14 10.211 -24.382 -5.966 110 H PHE 15 HN PHE 15 11.492 -21.690 -7.924 111 HA PHE 15 HA PHE 15 10.978 -19.848 -5.723 112 HB2 PHE 15 HB2 PHE 15 13.751 -20.430 -6.782 113 HB3 PHE 15 HB1 PHE 15 13.350 -18.965 -5.893 114 HD1 PHE 15 HD1 PHE 15 12.370 -19.260 -3.541 115 HD2 PHE 15 HD2 PHE 15 14.403 -22.345 -5.653 116 HE1 PHE 15 HE1 PHE 15 12.809 -20.421 -1.419 117 HE2 PHE 15 HE2 PHE 15 14.839 -23.510 -3.531 118 HZ PHE 15 HZ PHE 15 14.043 -22.548 -1.415 119 H GLY 16 HN GLY 16 11.843 -17.574 -6.456 120 HA2 GLY 16 HA2 GLY 16 12.256 -17.120 -9.228 121 HA3 GLY 16 HA1 GLY 16 10.589 -16.769 -8.791 122 H PHE 17 HN PHE 17 11.564 -14.636 -9.664 123 HA PHE 17 HA PHE 17 12.414 -13.071 -7.328 124 HB2 PHE 17 HB2 PHE 17 13.487 -12.709 -10.137 125 HB3 PHE 17 HB1 PHE 17 13.893 -11.719 -8.739 126 HD1 PHE 17 HD2 PHE 17 15.181 -12.749 -6.856 127 HD2 PHE 17 HD1 PHE 17 14.608 -14.719 -10.584 128 HE1 PHE 17 HE2 PHE 17 17.058 -14.255 -6.342 129 HE2 PHE 17 HE1 PHE 17 16.483 -16.229 -10.080 130 HZ PHE 17 HZ PHE 17 17.711 -15.999 -7.957 131 H ILE 18 HN ILE 18 11.289 -11.259 -7.023 132 HA ILE 18 HA ILE 18 9.754 -10.134 -9.267 133 HB ILE 18 HB ILE 18 8.740 -10.535 -6.439 134 HG12 ILE 18 HG12 ILE 18 7.820 -11.630 -9.107 135 HG13 ILE 18 HG11 ILE 18 8.594 -12.540 -7.815 136 HG21 ILE 18 HG21 ILE 18 6.677 -9.451 -7.174 137 HG22 ILE 18 HG22 ILE 18 7.410 -9.111 -8.741 138 HG23 ILE 18 HG23 ILE 18 8.052 -8.353 -7.284 139 HD11 ILE 18 HD11 ILE 18 6.659 -12.130 -6.379 140 HD12 ILE 18 HD12 ILE 18 6.213 -12.964 -7.871 141 HD13 ILE 18 HD13 ILE 18 5.884 -11.238 -7.691 142 H GLU 19 HN GLU 19 9.513 -7.831 -9.188 143 HA GLU 19 HA GLU 19 11.683 -6.653 -7.617 144 HB2 GLU 19 HB2 GLU 19 11.657 -4.827 -9.262 145 HB3 GLU 19 HB1 GLU 19 11.925 -6.393 -10.007 146 HG2 GLU 19 HG2 GLU 19 9.690 -6.456 -10.846 147 HG3 GLU 19 HG1 GLU 19 9.257 -5.010 -9.932 148 H ARG 20 HN ARG 20 11.280 -5.382 -5.974 149 HA ARG 20 HA ARG 20 8.733 -3.931 -5.837 150 HB2 ARG 20 HB2 ARG 20 10.952 -4.249 -3.794 151 HB3 ARG 20 HB1 ARG 20 9.508 -3.276 -3.550 152 HG2 ARG 20 HG2 ARG 20 8.115 -5.245 -3.680 153 HG3 ARG 20 HG1 ARG 20 9.521 -6.247 -4.043 154 HD2 ARG 20 HD2 ARG 20 8.998 -6.519 -1.723 155 HD3 ARG 20 HD1 ARG 20 10.482 -5.578 -1.841 156 HE ARG 20 HE ARG 20 7.845 -4.324 -1.347 157 HH11 ARG 20 HH11 ARG 20 11.251 -4.698 -0.582 158 HH12 ARG 20 HH12 ARG 20 11.229 -3.503 0.676 159 HH21 ARG 20 HH21 ARG 20 7.803 -2.792 0.289 160 HH22 ARG 20 HH22 ARG 20 9.254 -2.410 1.182 161 H GLU 21 HN GLU 21 8.873 -1.574 -5.380 162 HA GLU 21 HA GLU 21 10.594 -0.421 -7.325 163 HB2 GLU 21 HB2 GLU 21 8.769 0.917 -5.331 164 HB3 GLU 21 HB1 GLU 21 9.543 1.712 -6.696 165 HG2 GLU 21 HG2 GLU 21 8.370 0.063 -8.183 166 HG3 GLU 21 HG1 GLU 21 7.451 -0.442 -6.767 167 H ASN 22 HN ASN 22 11.133 -1.164 -4.104 168 HA ASN 22 HA ASN 22 13.315 0.805 -3.953 169 HB2 ASN 22 HB2 ASN 22 12.046 -0.750 -1.686 170 HB3 ASN 22 HB1 ASN 22 13.314 0.461 -1.530 171 HD21 ASN 22 HD21 ASN 22 12.809 2.647 -1.988 172 HD22 ASN 22 HD22 ASN 22 11.172 3.218 -1.854 173 H GLY 23 HN GLY 23 12.766 -2.267 -4.857 174 HA2 GLY 23 HA2 GLY 23 15.451 -3.106 -4.718 175 HA3 GLY 23 HA1 GLY 23 14.554 -3.857 -3.404 176 H ASP 24 HN ASP 24 15.358 -4.001 -6.680 177 HA ASP 24 HA ASP 24 13.090 -5.691 -7.397 178 HB2 ASP 24 HB2 ASP 24 13.944 -5.531 -9.687 179 HB3 ASP 24 HB1 ASP 24 13.754 -3.936 -8.970 180 H ASP 25 HN ASP 25 14.276 -7.091 -5.604 181 HA ASP 25 HA ASP 25 15.292 -9.358 -7.030 182 HB2 ASP 25 HB2 ASP 25 17.409 -9.552 -5.749 183 HB3 ASP 25 HB1 ASP 25 17.384 -8.174 -6.839 184 H VAL 26 HN VAL 26 13.004 -9.067 -5.634 185 HA VAL 26 HA VAL 26 13.359 -10.174 -2.970 186 HB VAL 26 HB VAL 26 10.810 -9.605 -4.504 187 HG11 VAL 26 HG11 VAL 26 11.233 -10.163 -1.566 188 HG12 VAL 26 HG12 VAL 26 10.524 -11.282 -2.733 189 HG13 VAL 26 HG13 VAL 26 9.697 -9.772 -2.342 190 HG21 VAL 26 HG21 VAL 26 12.105 -7.579 -4.099 191 HG22 VAL 26 HG22 VAL 26 12.216 -7.984 -2.385 192 HG23 VAL 26 HG23 VAL 26 10.649 -7.606 -3.101 193 H PHE 27 HN PHE 27 13.150 -12.274 -2.459 194 HA PHE 27 HA PHE 27 13.037 -14.189 -4.623 195 HB2 PHE 27 HB2 PHE 27 13.313 -14.694 -1.652 196 HB3 PHE 27 HB1 PHE 27 13.686 -15.820 -2.954 197 HD1 PHE 27 HD2 PHE 27 15.652 -15.427 -4.391 198 HD2 PHE 27 HD1 PHE 27 14.861 -13.032 -0.965 199 HE1 PHE 27 HE2 PHE 27 17.975 -14.620 -4.426 200 HE2 PHE 27 HE1 PHE 27 17.184 -12.216 -0.993 201 HZ PHE 27 HZ PHE 27 18.745 -13.011 -2.726 202 H VAL 28 HN VAL 28 11.155 -14.949 -5.330 203 HA VAL 28 HA VAL 28 8.912 -15.061 -3.445 204 HB VAL 28 HB VAL 28 8.551 -13.792 -5.565 205 HG11 VAL 28 HG11 VAL 28 8.787 -16.500 -6.854 206 HG12 VAL 28 HG12 VAL 28 9.854 -15.119 -7.101 207 HG13 VAL 28 HG13 VAL 28 8.178 -15.047 -7.645 208 HG21 VAL 28 HG21 VAL 28 6.809 -16.225 -5.198 209 HG22 VAL 28 HG22 VAL 28 6.367 -14.769 -6.092 210 HG23 VAL 28 HG23 VAL 28 6.649 -14.684 -4.353 211 H HIS 29 HN HIS 29 7.724 -16.890 -3.140 212 HA HIS 29 HA HIS 29 8.705 -19.358 -4.366 213 HB2 HIS 29 HB2 HIS 29 8.455 -20.553 -2.229 214 HB3 HIS 29 HB1 HIS 29 9.656 -19.283 -2.115 215 HD1 HIS 29 HD1 HIS 29 7.673 -20.722 0.135 216 HD2 HIS 29 HD2 HIS 29 7.672 -16.799 -1.265 217 HE1 HIS 29 HE1 HIS 29 6.585 -19.348 1.941 218 HE2 HIS 29 HE2 HIS 29 6.730 -16.962 1.143 219 H PHE 30 HN PHE 30 7.069 -21.113 -4.304 220 HA PHE 30 HA PHE 30 4.733 -20.018 -5.486 221 HB2 PHE 30 HB2 PHE 30 5.614 -22.835 -4.911 222 HB3 PHE 30 HB1 PHE 30 4.049 -22.481 -5.630 223 HD1 PHE 30 HD2 PHE 30 3.902 -21.488 -7.859 224 HD2 PHE 30 HD1 PHE 30 7.641 -22.620 -6.171 225 HE1 PHE 30 HE2 PHE 30 4.936 -21.376 -10.087 226 HE2 PHE 30 HE1 PHE 30 8.682 -22.508 -8.398 227 HZ PHE 30 HZ PHE 30 7.329 -21.889 -10.359 228 H SER 31 HN SER 31 5.419 -20.938 -2.260 229 HA SER 31 HA SER 31 2.779 -21.535 -1.428 230 HB2 SER 31 HB2 SER 31 5.036 -20.369 0.211 231 HB3 SER 31 HB1 SER 31 3.619 -21.222 0.827 232 HG SER 31 HG SER 31 4.654 -23.002 0.527 233 H ALA 32 HN ALA 32 4.331 -18.613 -2.303 234 HA ALA 32 HA ALA 32 2.485 -16.918 -0.805 235 HB1 ALA 32 HB1 ALA 32 3.782 -15.059 -1.741 236 HB2 ALA 32 HB2 ALA 32 4.729 -16.203 -2.692 237 HB3 ALA 32 HB3 ALA 32 4.818 -16.235 -0.930 238 H ILE 33 HN ILE 33 2.583 -18.533 -3.727 239 HA ILE 33 HA ILE 33 1.263 -16.616 -5.391 240 HB ILE 33 HB ILE 33 1.459 -19.614 -5.744 241 HG12 ILE 33 HG12 ILE 33 3.684 -18.585 -5.589 242 HG13 ILE 33 HG11 ILE 33 3.359 -19.147 -7.223 243 HG21 ILE 33 HG21 ILE 33 -0.297 -18.608 -7.093 244 HG22 ILE 33 HG22 ILE 33 1.041 -19.150 -8.104 245 HG23 ILE 33 HG23 ILE 33 0.853 -17.436 -7.736 246 HD11 ILE 33 HD11 ILE 33 4.482 -16.992 -7.219 247 HD12 ILE 33 HD12 ILE 33 3.163 -16.300 -6.274 248 HD13 ILE 33 HD13 ILE 33 2.867 -16.866 -7.919 249 H GLN 34 HN GLN 34 -0.891 -16.401 -5.793 250 HA GLN 34 HA GLN 34 -2.702 -17.254 -3.784 251 HB2 GLN 34 HB2 GLN 34 -4.392 -16.090 -5.051 252 HB3 GLN 34 HB1 GLN 34 -2.922 -15.124 -5.062 253 HG2 GLN 34 HG2 GLN 34 -2.413 -15.835 -7.305 254 HG3 GLN 34 HG1 GLN 34 -3.777 -16.952 -7.296 255 HE21 GLN 34 HE21 GLN 34 -3.229 -14.801 -9.130 256 HE22 GLN 34 HE22 GLN 34 -4.580 -13.718 -9.049 257 H GLY 35 HN GLY 35 -4.395 -18.719 -3.903 258 HA2 GLY 35 HA2 GLY 35 -4.142 -20.793 -5.946 259 HA3 GLY 35 HA1 GLY 35 -5.151 -20.863 -4.503 260 H ASP 36 HN ASP 36 -6.282 -21.668 -6.811 261 HA ASP 36 HA ASP 36 -8.227 -21.437 -7.963 262 HB2 ASP 36 HB2 ASP 36 -9.235 -20.350 -6.049 263 HB3 ASP 36 HB1 ASP 36 -8.461 -18.823 -6.458 264 H GLY 37 HN GLY 37 -7.975 -21.255 -10.057 265 HA2 GLY 37 HA2 GLY 37 -7.878 -20.201 -12.113 266 HA3 GLY 37 HA1 GLY 37 -7.718 -18.664 -11.280 267 H PHE 38 HN PHE 38 -5.812 -17.684 -11.340 268 HA PHE 38 HA PHE 38 -3.699 -18.983 -12.821 269 HB2 PHE 38 HB2 PHE 38 -3.860 -16.185 -11.677 270 HB3 PHE 38 HB1 PHE 38 -2.588 -16.779 -12.741 271 HD1 PHE 38 HD1 PHE 38 -3.075 -17.290 -15.091 272 HD2 PHE 38 HD2 PHE 38 -6.000 -15.564 -12.525 273 HE1 PHE 38 HE1 PHE 38 -4.406 -16.632 -17.055 274 HE2 PHE 38 HE2 PHE 38 -7.337 -14.907 -14.482 275 HZ PHE 38 HZ PHE 38 -6.541 -15.440 -16.752 276 H LYS 39 HN LYS 39 -2.976 -20.571 -11.380 277 HA LYS 39 HA LYS 39 -1.753 -19.656 -8.898 278 HB2 LYS 39 HB2 LYS 39 -1.297 -22.158 -8.589 279 HB3 LYS 39 HB1 LYS 39 -2.966 -21.621 -8.521 280 HG2 LYS 39 HG2 LYS 39 -3.076 -23.562 -9.781 281 HG3 LYS 39 HG1 LYS 39 -3.066 -22.297 -11.005 282 HD2 LYS 39 HD2 LYS 39 -0.728 -22.666 -11.442 283 HD3 LYS 39 HD1 LYS 39 -0.620 -23.815 -10.107 284 HE2 LYS 39 HE2 LYS 39 -2.253 -25.264 -11.283 285 HE3 LYS 39 HE1 LYS 39 -2.233 -24.137 -12.637 286 HZ1 LYS 39 HZ1 LYS 39 -0.770 -26.065 -12.960 287 HZ2 LYS 39 HZ2 LYS 39 0.152 -25.585 -11.617 288 HZ3 LYS 39 HZ3 LYS 39 0.080 -24.597 -12.995 289 H SER 40 HN SER 40 -0.828 -19.235 -11.763 290 HA SER 40 HA SER 40 1.979 -19.438 -11.077 291 HB2 SER 40 HB2 SER 40 0.865 -20.540 -13.673 292 HB3 SER 40 HB1 SER 40 2.580 -20.329 -13.317 293 HG SER 40 HG SER 40 1.389 -21.697 -11.326 294 H LEU 41 HN LEU 41 3.177 -17.739 -11.947 295 HA LEU 41 HA LEU 41 1.491 -15.635 -13.124 296 HB2 LEU 41 HB2 LEU 41 3.995 -15.396 -11.461 297 HB3 LEU 41 HB1 LEU 41 3.101 -14.049 -12.137 298 HG LEU 41 HG LEU 41 2.074 -15.978 -10.055 299 HD11 LEU 41 HD11 LEU 41 2.869 -13.081 -9.841 300 HD12 LEU 41 HD12 LEU 41 3.786 -14.451 -9.220 301 HD13 LEU 41 HD13 LEU 41 2.200 -14.076 -8.551 302 HD21 LEU 41 HD21 LEU 41 0.153 -14.469 -9.913 303 HD22 LEU 41 HD22 LEU 41 0.288 -15.192 -11.515 304 HD23 LEU 41 HD23 LEU 41 0.797 -13.522 -11.256 305 H ASP 42 HN ASP 42 2.037 -14.699 -14.982 306 HA ASP 42 HA ASP 42 4.329 -15.663 -16.458 307 HB2 ASP 42 HB2 ASP 42 2.212 -13.611 -17.154 308 HB3 ASP 42 HB1 ASP 42 3.457 -14.180 -18.260 309 H GLU 43 HN GLU 43 6.268 -14.735 -16.420 310 HA GLU 43 HA GLU 43 6.804 -12.451 -14.877 311 HB2 GLU 43 HB2 GLU 43 9.081 -12.538 -16.043 312 HB3 GLU 43 HB1 GLU 43 8.609 -13.921 -15.076 313 HG2 GLU 43 HG2 GLU 43 9.531 -14.895 -16.942 314 HG3 GLU 43 HG1 GLU 43 7.810 -14.927 -17.312 315 H GLY 44 HN GLY 44 7.090 -10.346 -15.365 316 HA2 GLY 44 HA2 GLY 44 7.395 -8.576 -16.981 317 HA3 GLY 44 HA1 GLY 44 6.507 -9.553 -18.143 318 H GLN 45 HN GLN 45 4.501 -10.259 -15.941 319 HA GLN 45 HA GLN 45 2.867 -7.901 -16.405 320 HB2 GLN 45 HB2 GLN 45 1.004 -9.158 -15.610 321 HB3 GLN 45 HB1 GLN 45 1.945 -10.229 -16.637 322 HG2 GLN 45 HG2 GLN 45 2.928 -11.256 -14.648 323 HG3 GLN 45 HG1 GLN 45 1.961 -10.189 -13.629 324 HE21 GLN 45 HE21 GLN 45 1.999 -13.087 -13.799 325 HE22 GLN 45 HE22 GLN 45 0.385 -13.583 -14.192 326 H ALA 46 HN ALA 46 1.837 -6.695 -14.794 327 HA ALA 46 HA ALA 46 3.468 -6.428 -12.385 328 HB1 ALA 46 HB1 ALA 46 2.445 -4.235 -12.152 329 HB2 ALA 46 HB2 ALA 46 1.375 -4.570 -13.512 330 HB3 ALA 46 HB3 ALA 46 3.115 -4.430 -13.773 331 H VAL 47 HN VAL 47 2.675 -6.598 -10.352 332 HA VAL 47 HA VAL 47 -0.165 -7.171 -9.968 333 HB VAL 47 HB VAL 47 0.376 -9.112 -8.490 334 HG11 VAL 47 HG11 VAL 47 -0.459 -9.464 -10.757 335 HG12 VAL 47 HG12 VAL 47 0.664 -10.738 -10.282 336 HG13 VAL 47 HG13 VAL 47 1.193 -9.457 -11.373 337 HG21 VAL 47 HG21 VAL 47 2.716 -8.628 -8.057 338 HG22 VAL 47 HG22 VAL 47 3.106 -8.896 -9.755 339 HG23 VAL 47 HG23 VAL 47 2.544 -10.238 -8.758 340 H THR 48 HN THR 48 -0.921 -6.683 -7.918 341 HA THR 48 HA THR 48 0.713 -5.080 -6.190 342 HB THR 48 HB THR 48 -2.016 -6.304 -5.693 343 HG1 THR 48 HG1 THR 48 -2.820 -4.666 -6.808 344 HG21 THR 48 HG21 THR 48 -0.589 -4.014 -4.331 345 HG22 THR 48 HG22 THR 48 -0.938 -5.592 -3.626 346 HG23 THR 48 HG23 THR 48 -2.259 -4.497 -4.031 347 H PHE 49 HN PHE 49 1.688 -5.780 -4.245 348 HA PHE 49 HA PHE 49 1.691 -8.663 -3.794 349 HB2 PHE 49 HB2 PHE 49 3.225 -7.948 -5.759 350 HB3 PHE 49 HB1 PHE 49 4.279 -7.316 -4.503 351 HD1 PHE 49 HD1 PHE 49 2.251 -10.415 -4.857 352 HD2 PHE 49 HD2 PHE 49 6.073 -8.681 -4.188 353 HE1 PHE 49 HE1 PHE 49 3.211 -12.657 -4.582 354 HE2 PHE 49 HE2 PHE 49 7.039 -10.920 -3.907 355 HZ PHE 49 HZ PHE 49 5.606 -12.912 -4.105 356 H ASP 50 HN ASP 50 2.494 -9.294 -1.831 357 HA ASP 50 HA ASP 50 3.209 -7.072 -0.027 358 HB2 ASP 50 HB2 ASP 50 1.189 -8.509 0.499 359 HB3 ASP 50 HB1 ASP 50 2.312 -9.834 0.794 360 H VAL 51 HN VAL 51 4.725 -7.769 1.811 361 HA VAL 51 HA VAL 51 6.744 -9.654 0.886 362 HB VAL 51 HB VAL 51 7.438 -7.513 -0.082 363 HG11 VAL 51 HG11 VAL 51 6.377 -5.991 1.487 364 HG12 VAL 51 HG12 VAL 51 8.098 -5.636 1.342 365 HG13 VAL 51 HG13 VAL 51 7.493 -6.497 2.756 366 HG21 VAL 51 HG21 VAL 51 9.179 -8.379 2.223 367 HG22 VAL 51 HG22 VAL 51 9.708 -7.419 0.841 368 HG23 VAL 51 HG23 VAL 51 9.166 -9.080 0.605 369 H GLU 52 HN GLU 52 7.723 -10.714 2.476 370 HA GLU 52 HA GLU 52 7.248 -9.836 5.246 371 HB2 GLU 52 HB2 GLU 52 7.578 -12.560 4.007 372 HB3 GLU 52 HB1 GLU 52 7.845 -12.305 5.726 373 HG2 GLU 52 HG2 GLU 52 5.287 -11.551 4.348 374 HG3 GLU 52 HG1 GLU 52 5.570 -13.147 5.043 375 H GLU 53 HN GLU 53 9.011 -10.072 6.732 376 HA GLU 53 HA GLU 53 11.527 -9.412 5.502 377 HB2 GLU 53 HB2 GLU 53 10.740 -9.701 8.406 378 HB3 GLU 53 HB1 GLU 53 12.304 -9.123 7.844 379 HG2 GLU 53 HG2 GLU 53 9.638 -7.817 7.343 380 HG3 GLU 53 HG1 GLU 53 10.880 -7.269 8.469 381 H GLY 54 HN GLY 54 13.040 -10.806 4.961 382 HA2 GLY 54 HA2 GLY 54 12.731 -13.580 5.844 383 HA3 GLY 54 HA1 GLY 54 13.643 -13.039 4.446 384 H GLN 55 HN GLN 55 14.797 -14.849 5.993 385 HA GLN 55 HA GLN 55 16.339 -13.792 8.147 386 HB2 GLN 55 HB2 GLN 55 16.803 -16.262 6.464 387 HB3 GLN 55 HB1 GLN 55 17.555 -15.917 8.016 388 HG2 GLN 55 HG2 GLN 55 15.453 -16.092 9.146 389 HG3 GLN 55 HG1 GLN 55 14.589 -16.222 7.615 390 HE21 GLN 55 HE21 GLN 55 13.683 -18.185 8.176 391 HE22 GLN 55 HE22 GLN 55 14.607 -19.651 8.226 392 H ARG 56 HN ARG 56 16.910 -14.341 4.722 393 HA ARG 56 HA ARG 56 19.550 -13.074 4.964 394 HB2 ARG 56 HB2 ARG 56 18.349 -14.796 2.790 395 HB3 ARG 56 HB1 ARG 56 19.901 -13.983 2.644 396 HG2 ARG 56 HG2 ARG 56 19.221 -16.004 4.768 397 HG3 ARG 56 HG1 ARG 56 20.097 -16.359 3.276 398 HD2 ARG 56 HD2 ARG 56 21.843 -14.787 3.917 399 HD3 ARG 56 HD1 ARG 56 20.961 -14.390 5.389 400 HE ARG 56 HE ARG 56 21.562 -16.454 6.301 401 HH11 ARG 56 HH11 ARG 56 22.690 -16.153 3.003 402 HH12 ARG 56 HH12 ARG 56 23.899 -17.385 3.159 403 HH21 ARG 56 HH21 ARG 56 23.156 -18.081 6.518 404 HH22 ARG 56 HH22 ARG 56 24.138 -18.506 5.148 405 H GLY 57 HN GLY 57 16.690 -13.137 2.883 406 HA2 GLY 57 HA2 GLY 57 16.911 -10.233 2.562 407 HA3 GLY 57 HA1 GLY 57 16.866 -11.227 1.111 408 HA PRO 58 HA PRO 58 12.537 -10.012 2.748 409 HB2 PRO 58 HB2 PRO 58 11.755 -8.983 0.293 410 HB3 PRO 58 HB1 PRO 58 12.323 -8.024 1.663 411 HG2 PRO 58 HG2 PRO 58 13.817 -8.954 -0.751 412 HG3 PRO 58 HG1 PRO 58 13.912 -7.400 0.099 413 HD2 PRO 58 HD2 PRO 58 15.791 -9.280 0.419 414 HD3 PRO 58 HD1 PRO 58 15.267 -8.261 1.777 415 H GLN 59 HN GLN 59 11.177 -11.674 2.699 416 HA GLN 59 HA GLN 59 11.212 -13.459 0.383 417 HB2 GLN 59 HB2 GLN 59 9.864 -14.993 1.824 418 HB3 GLN 59 HB1 GLN 59 11.462 -14.635 2.461 419 HG2 GLN 59 HG2 GLN 59 10.548 -13.118 4.071 420 HG3 GLN 59 HG1 GLN 59 8.941 -13.263 3.357 421 HE21 GLN 59 HE21 GLN 59 11.364 -14.815 5.308 422 HE22 GLN 59 HE22 GLN 59 10.338 -16.052 5.949 423 H ALA 60 HN ALA 60 9.516 -13.694 -0.937 424 HA ALA 60 HA ALA 60 7.619 -11.555 -0.961 425 HB1 ALA 60 HB1 ALA 60 8.721 -12.512 -2.973 426 HB2 ALA 60 HB2 ALA 60 6.966 -12.398 -3.086 427 HB3 ALA 60 HB3 ALA 60 7.726 -13.952 -2.761 428 H ALA 61 HN ALA 61 5.383 -11.650 -0.776 429 HA ALA 61 HA ALA 61 4.091 -14.160 -0.128 430 HB1 ALA 61 HB1 ALA 61 4.967 -13.468 2.042 431 HB2 ALA 61 HB2 ALA 61 3.205 -13.378 2.017 432 HB3 ALA 61 HB3 ALA 61 4.166 -11.906 1.878 433 H ASN 62 HN ASN 62 1.820 -14.050 -0.202 434 HA ASN 62 HA ASN 62 -0.193 -13.417 -1.014 435 HB2 ASN 62 HB2 ASN 62 0.600 -10.656 -0.101 436 HB3 ASN 62 HB1 ASN 62 -1.034 -11.237 -0.391 437 HD21 ASN 62 HD21 ASN 62 1.669 -11.238 1.702 438 HD22 ASN 62 HD22 ASN 62 0.902 -11.995 3.066 439 H VAL 63 HN VAL 63 0.166 -13.807 -3.191 440 HA VAL 63 HA VAL 63 0.834 -11.574 -4.893 441 HB VAL 63 HB VAL 63 -0.404 -14.235 -5.648 442 HG11 VAL 63 HG11 VAL 63 -0.756 -12.431 -7.288 443 HG12 VAL 63 HG12 VAL 63 0.276 -13.718 -7.906 444 HG13 VAL 63 HG13 VAL 63 0.991 -12.197 -7.372 445 HG21 VAL 63 HG21 VAL 63 2.482 -13.358 -5.723 446 HG22 VAL 63 HG22 VAL 63 1.851 -14.888 -6.335 447 HG23 VAL 63 HG23 VAL 63 1.785 -14.532 -4.608 448 H GLN 64 HN GLN 64 -0.556 -10.107 -5.682 449 HA GLN 64 HA GLN 64 -3.435 -10.709 -5.704 450 HB2 GLN 64 HB2 GLN 64 -2.727 -9.381 -3.669 451 HB3 GLN 64 HB1 GLN 64 -2.229 -8.100 -4.760 452 HG2 GLN 64 HG2 GLN 64 -4.471 -7.726 -5.464 453 HG3 GLN 64 HG1 GLN 64 -5.035 -9.170 -4.619 454 HE21 GLN 64 HE21 GLN 64 -6.490 -8.048 -3.349 455 HE22 GLN 64 HE22 GLN 64 -5.985 -7.021 -2.045 456 H LYS 65 HN LYS 65 -4.307 -10.216 -7.695 457 HA LYS 65 HA LYS 65 -2.503 -9.317 -9.700 458 HB2 LYS 65 HB2 LYS 65 -4.350 -10.961 -10.091 459 HB3 LYS 65 HB1 LYS 65 -5.489 -9.622 -9.988 460 HG2 LYS 65 HG2 LYS 65 -4.949 -10.184 -12.307 461 HG3 LYS 65 HG1 LYS 65 -4.439 -8.545 -11.893 462 HD2 LYS 65 HD2 LYS 65 -2.154 -9.327 -11.556 463 HD3 LYS 65 HD1 LYS 65 -2.652 -10.977 -11.923 464 HE2 LYS 65 HE2 LYS 65 -1.680 -10.176 -13.907 465 HE3 LYS 65 HE1 LYS 65 -3.418 -10.063 -14.180 466 HZ1 LYS 65 HZ1 LYS 65 -2.525 -8.052 -14.943 467 HZ2 LYS 65 HZ2 LYS 65 -1.511 -7.870 -13.604 468 HZ3 LYS 65 HZ3 LYS 65 -3.183 -7.660 -13.429 469 H ALA 66 HN ALA 66 -2.116 -7.400 -10.466 470 HA ALA 66 HA ALA 66 -3.649 -5.096 -9.619 471 HB1 ALA 66 HB1 ALA 66 -1.224 -4.904 -9.692 472 HB2 ALA 66 HB2 ALA 66 -1.949 -3.818 -10.878 473 HB3 ALA 66 HB3 ALA 66 -1.222 -5.336 -11.401 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 3.387 -4.757 2.895 2 H2 MET 1 HT2 MET 1 4.239 -3.401 2.342 3 H3 MET 1 HT3 MET 1 4.659 -4.943 1.790 4 HA MET 1 HA MET 1 2.437 -5.143 0.777 5 HB2 MET 1 HB2 MET 1 2.357 -2.196 1.475 6 HB3 MET 1 HB1 MET 1 1.214 -3.015 0.418 7 HG2 MET 1 HG2 MET 1 0.442 -4.385 2.246 8 HG3 MET 1 HG1 MET 1 1.654 -3.684 3.318 9 HE1 MET 1 HE1 MET 1 -0.141 -3.054 5.139 10 HE2 MET 1 HE2 MET 1 -1.349 -3.851 4.129 11 HE3 MET 1 HE3 MET 1 -1.655 -2.234 4.764 12 H GLU 2 HN GLU 2 3.444 -5.628 -1.080 13 HA GLU 2 HA GLU 2 5.105 -3.532 -2.318 14 HB2 GLU 2 HB2 GLU 2 5.470 -6.527 -2.296 15 HB3 GLU 2 HB1 GLU 2 6.382 -5.440 -3.333 16 HG2 GLU 2 HG2 GLU 2 6.361 -5.327 -0.328 17 HG3 GLU 2 HG1 GLU 2 7.596 -6.123 -1.304 18 H GLN 3 HN GLN 3 4.960 -3.209 -4.475 19 HA GLN 3 HA GLN 3 3.343 -5.026 -6.092 20 HB2 GLN 3 HB2 GLN 3 1.845 -3.154 -5.503 21 HB3 GLN 3 HB1 GLN 3 3.034 -2.012 -6.119 22 HG2 GLN 3 HG2 GLN 3 2.786 -2.946 -8.359 23 HG3 GLN 3 HG1 GLN 3 1.615 -4.111 -7.746 24 HE21 GLN 3 HE21 GLN 3 -0.432 -3.436 -7.193 25 HE22 GLN 3 HE22 GLN 3 -1.067 -1.899 -7.699 26 H GLY 4 HN GLY 4 4.556 -5.654 -7.763 27 HA2 GLY 4 HA2 GLY 4 6.379 -3.784 -9.026 28 HA3 GLY 4 HA1 GLY 4 7.154 -5.096 -8.152 29 H THR 5 HN THR 5 8.013 -5.454 -10.346 30 HA THR 5 HA THR 5 6.109 -6.774 -12.154 31 HB THR 5 HB THR 5 8.907 -5.805 -12.768 32 HG1 THR 5 HG1 THR 5 6.843 -4.322 -12.241 33 HG21 THR 5 HG21 THR 5 8.076 -7.518 -14.306 34 HG22 THR 5 HG22 THR 5 8.166 -5.950 -15.105 35 HG23 THR 5 HG23 THR 5 6.606 -6.580 -14.574 36 H VAL 6 HN VAL 6 6.289 -8.906 -12.564 37 HA VAL 6 HA VAL 6 7.986 -10.562 -11.012 38 HB VAL 6 HB VAL 6 6.498 -11.286 -13.549 39 HG11 VAL 6 HG11 VAL 6 8.179 -12.939 -12.972 40 HG12 VAL 6 HG12 VAL 6 6.566 -13.580 -12.661 41 HG13 VAL 6 HG13 VAL 6 7.565 -13.019 -11.320 42 HG21 VAL 6 HG21 VAL 6 4.713 -12.070 -12.061 43 HG22 VAL 6 HG22 VAL 6 4.994 -10.338 -11.881 44 HG23 VAL 6 HG23 VAL 6 5.610 -11.461 -10.669 45 H LYS 7 HN LYS 7 10.112 -10.681 -11.257 46 HA LYS 7 HA LYS 7 11.413 -9.904 -13.701 47 HB2 LYS 7 HB2 LYS 7 12.332 -9.359 -11.463 48 HB3 LYS 7 HB1 LYS 7 12.564 -11.074 -11.154 49 HG2 LYS 7 HG2 LYS 7 13.998 -10.995 -13.321 50 HG3 LYS 7 HG1 LYS 7 14.060 -9.262 -12.988 51 HD2 LYS 7 HD2 LYS 7 14.884 -11.461 -11.090 52 HD3 LYS 7 HD1 LYS 7 15.978 -10.444 -12.024 53 HE2 LYS 7 HE2 LYS 7 14.011 -9.381 -10.007 54 HE3 LYS 7 HE1 LYS 7 15.686 -9.776 -9.630 55 HZ1 LYS 7 HZ1 LYS 7 15.689 -7.505 -10.063 56 HZ2 LYS 7 HZ2 LYS 7 14.659 -7.639 -11.403 57 HZ3 LYS 7 HZ3 LYS 7 16.259 -8.187 -11.510 58 H TRP 8 HN TRP 8 11.706 -12.828 -11.697 59 HA TRP 8 HA TRP 8 11.220 -14.691 -13.733 60 HB2 TRP 8 HB2 TRP 8 13.317 -13.965 -14.727 61 HB3 TRP 8 HB1 TRP 8 14.148 -14.118 -13.185 62 HD1 TRP 8 HD1 TRP 8 15.577 -16.220 -13.053 63 HE1 TRP 8 HE1 TRP 8 15.503 -18.590 -14.055 64 HE3 TRP 8 HE3 TRP 8 11.233 -15.826 -15.723 65 HZ2 TRP 8 HZ2 TRP 8 13.816 -20.090 -15.756 66 HZ3 TRP 8 HZ3 TRP 8 10.456 -17.776 -17.007 67 HH2 TRP 8 HH2 TRP 8 11.723 -19.864 -17.022 68 H PHE 9 HN PHE 9 11.136 -16.762 -12.887 69 HA PHE 9 HA PHE 9 12.094 -17.127 -10.159 70 HB2 PHE 9 HB2 PHE 9 9.917 -18.102 -9.475 71 HB3 PHE 9 HB1 PHE 9 9.808 -16.390 -9.859 72 HD1 PHE 9 HD1 PHE 9 8.839 -15.704 -12.072 73 HD2 PHE 9 HD2 PHE 9 8.602 -19.686 -10.590 74 HE1 PHE 9 HE1 PHE 9 7.000 -16.172 -13.635 75 HE2 PHE 9 HE2 PHE 9 6.764 -20.163 -12.155 76 HZ PHE 9 HZ PHE 9 5.962 -18.403 -13.679 77 H ASN 10 HN ASN 10 13.176 -18.953 -10.015 78 HA ASN 10 HA ASN 10 13.129 -20.914 -12.075 79 HB2 ASN 10 HB2 ASN 10 14.527 -22.236 -10.327 80 HB3 ASN 10 HB1 ASN 10 15.209 -20.779 -11.038 81 HD21 ASN 10 HD21 ASN 10 13.909 -22.221 -8.156 82 HD22 ASN 10 HD22 ASN 10 14.422 -20.982 -7.069 83 H ALA 11 HN ALA 11 11.006 -21.565 -12.234 84 HA ALA 11 HA ALA 11 9.390 -22.480 -10.127 85 HB1 ALA 11 HB1 ALA 11 7.952 -23.395 -11.867 86 HB2 ALA 11 HB2 ALA 11 9.243 -23.194 -13.053 87 HB3 ALA 11 HB3 ALA 11 8.510 -21.777 -12.298 88 H GLU 12 HN GLU 12 11.956 -23.980 -11.858 89 HA GLU 12 HA GLU 12 11.409 -26.693 -11.511 90 HB2 GLU 12 HB2 GLU 12 13.350 -25.608 -12.755 91 HB3 GLU 12 HB1 GLU 12 14.134 -25.428 -11.193 92 HG2 GLU 12 HG2 GLU 12 14.996 -27.376 -12.260 93 HG3 GLU 12 HG1 GLU 12 13.998 -27.881 -10.897 94 H LYS 13 HN LYS 13 12.560 -24.276 -9.250 95 HA LYS 13 HA LYS 13 12.743 -26.308 -7.137 96 HB2 LYS 13 HB2 LYS 13 13.651 -23.425 -7.026 97 HB3 LYS 13 HB1 LYS 13 13.991 -24.684 -5.847 98 HG2 LYS 13 HG2 LYS 13 15.003 -24.568 -8.682 99 HG3 LYS 13 HG1 LYS 13 15.934 -24.267 -7.215 100 HD2 LYS 13 HD2 LYS 13 14.578 -26.884 -7.850 101 HD3 LYS 13 HD1 LYS 13 16.270 -26.537 -8.206 102 HE2 LYS 13 HE2 LYS 13 15.037 -26.412 -5.457 103 HE3 LYS 13 HE1 LYS 13 15.918 -27.800 -6.095 104 HZ1 LYS 13 HZ1 LYS 13 17.027 -25.072 -5.695 105 HZ2 LYS 13 HZ2 LYS 13 17.877 -26.393 -6.339 106 HZ3 LYS 13 HZ3 LYS 13 17.343 -26.428 -4.731 107 H GLY 14 HN GLY 14 10.841 -23.725 -8.317 108 HA2 GLY 14 HA2 GLY 14 8.614 -23.339 -7.658 109 HA3 GLY 14 HA1 GLY 14 8.956 -24.119 -6.122 110 H PHE 15 HN PHE 15 11.158 -21.735 -7.314 111 HA PHE 15 HA PHE 15 10.049 -19.694 -5.526 112 HB2 PHE 15 HB2 PHE 15 12.927 -20.652 -5.436 113 HB3 PHE 15 HB1 PHE 15 12.292 -19.262 -4.565 114 HD1 PHE 15 HD1 PHE 15 10.501 -19.671 -2.810 115 HD2 PHE 15 HD2 PHE 15 12.835 -22.791 -4.522 116 HE1 PHE 15 HE1 PHE 15 9.949 -21.126 -0.905 117 HE2 PHE 15 HE2 PHE 15 12.280 -24.249 -2.624 118 HZ PHE 15 HZ PHE 15 10.838 -23.419 -0.813 119 H GLY 16 HN GLY 16 11.419 -17.596 -5.822 120 HA2 GLY 16 HA2 GLY 16 13.146 -17.255 -7.988 121 HA3 GLY 16 HA1 GLY 16 11.519 -16.939 -8.570 122 H PHE 17 HN PHE 17 12.493 -14.792 -8.986 123 HA PHE 17 HA PHE 17 12.379 -13.133 -6.553 124 HB2 PHE 17 HB2 PHE 17 14.214 -12.762 -8.930 125 HB3 PHE 17 HB1 PHE 17 14.072 -11.648 -7.576 126 HD1 PHE 17 HD2 PHE 17 14.836 -12.349 -5.321 127 HD2 PHE 17 HD1 PHE 17 15.532 -14.716 -8.789 128 HE1 PHE 17 HE2 PHE 17 16.585 -13.594 -4.119 129 HE2 PHE 17 HE1 PHE 17 17.280 -15.966 -7.590 130 HZ PHE 17 HZ PHE 17 17.809 -15.404 -5.253 131 H ILE 18 HN ILE 18 11.053 -11.475 -6.608 132 HA ILE 18 HA ILE 18 10.010 -10.542 -9.197 133 HB ILE 18 HB ILE 18 8.850 -10.123 -6.430 134 HG12 ILE 18 HG12 ILE 18 7.923 -11.914 -8.686 135 HG13 ILE 18 HG11 ILE 18 8.676 -12.458 -7.191 136 HG21 ILE 18 HG21 ILE 18 7.710 -9.437 -9.136 137 HG22 ILE 18 HG22 ILE 18 8.330 -8.285 -7.953 138 HG23 ILE 18 HG23 ILE 18 6.891 -9.238 -7.587 139 HD11 ILE 18 HD11 ILE 18 6.021 -11.058 -7.431 140 HD12 ILE 18 HD12 ILE 18 6.778 -11.580 -5.925 141 HD13 ILE 18 HD13 ILE 18 6.278 -12.776 -7.120 142 H GLU 19 HN GLU 19 10.000 -8.268 -9.593 143 HA GLU 19 HA GLU 19 12.142 -6.896 -8.131 144 HB2 GLU 19 HB2 GLU 19 12.261 -7.266 -10.640 145 HB3 GLU 19 HB1 GLU 19 10.928 -6.133 -10.789 146 HG2 GLU 19 HG2 GLU 19 12.237 -4.343 -9.987 147 HG3 GLU 19 HG1 GLU 19 13.516 -5.429 -9.442 148 H ARG 20 HN ARG 20 11.749 -5.038 -7.018 149 HA ARG 20 HA ARG 20 8.948 -4.538 -6.433 150 HB2 ARG 20 HB2 ARG 20 11.387 -3.240 -5.202 151 HB3 ARG 20 HB1 ARG 20 9.754 -3.255 -4.552 152 HG2 ARG 20 HG2 ARG 20 9.881 -5.596 -4.098 153 HG3 ARG 20 HG1 ARG 20 11.424 -5.726 -4.946 154 HD2 ARG 20 HD2 ARG 20 11.821 -5.708 -2.571 155 HD3 ARG 20 HD1 ARG 20 12.431 -4.212 -3.275 156 HE ARG 20 HE ARG 20 9.744 -3.956 -2.288 157 HH11 ARG 20 HH11 ARG 20 13.130 -3.893 -1.378 158 HH12 ARG 20 HH12 ARG 20 12.864 -2.944 0.054 159 HH21 ARG 20 HH21 ARG 20 9.372 -2.744 -0.394 160 HH22 ARG 20 HH22 ARG 20 10.725 -2.289 0.606 161 H GLU 21 HN GLU 21 8.287 -2.204 -6.092 162 HA GLU 21 HA GLU 21 8.720 -0.686 -8.458 163 HB2 GLU 21 HB2 GLU 21 6.606 -0.583 -7.192 164 HB3 GLU 21 HB1 GLU 21 7.457 0.136 -5.831 165 HG2 GLU 21 HG2 GLU 21 8.037 2.060 -7.253 166 HG3 GLU 21 HG1 GLU 21 7.099 1.349 -8.563 167 H ASN 22 HN ASN 22 9.781 -0.345 -5.090 168 HA ASN 22 HA ASN 22 11.460 1.928 -5.806 169 HB2 ASN 22 HB2 ASN 22 10.058 2.010 -3.761 170 HB3 ASN 22 HB1 ASN 22 10.961 0.651 -3.105 171 HD21 ASN 22 HD21 ASN 22 13.046 0.968 -2.348 172 HD22 ASN 22 HD22 ASN 22 13.692 2.551 -2.058 173 H GLY 23 HN GLY 23 11.738 -1.462 -5.283 174 HA2 GLY 23 HA2 GLY 23 14.650 -1.260 -5.453 175 HA3 GLY 23 HA1 GLY 23 13.984 -2.087 -4.055 176 H ASP 24 HN ASP 24 14.908 -4.059 -4.567 177 HA ASP 24 HA ASP 24 13.572 -5.526 -6.715 178 HB2 ASP 24 HB2 ASP 24 15.809 -4.493 -7.497 179 HB3 ASP 24 HB1 ASP 24 16.576 -5.665 -6.436 180 H ASP 25 HN ASP 25 14.571 -7.908 -6.594 181 HA ASP 25 HA ASP 25 14.862 -9.849 -5.483 182 HB2 ASP 25 HB2 ASP 25 16.125 -8.010 -3.471 183 HB3 ASP 25 HB1 ASP 25 16.015 -9.744 -3.201 184 H VAL 26 HN VAL 26 12.564 -10.073 -5.405 185 HA VAL 26 HA VAL 26 11.726 -10.317 -2.589 186 HB VAL 26 HB VAL 26 9.925 -9.996 -5.001 187 HG11 VAL 26 HG11 VAL 26 8.942 -11.502 -3.382 188 HG12 VAL 26 HG12 VAL 26 8.095 -9.957 -3.349 189 HG13 VAL 26 HG13 VAL 26 9.254 -10.353 -2.082 190 HG21 VAL 26 HG21 VAL 26 9.238 -7.892 -3.943 191 HG22 VAL 26 HG22 VAL 26 10.953 -7.893 -4.354 192 HG23 VAL 26 HG23 VAL 26 10.447 -8.141 -2.683 193 H PHE 27 HN PHE 27 11.825 -12.364 -1.954 194 HA PHE 27 HA PHE 27 12.128 -14.510 -3.805 195 HB2 PHE 27 HB2 PHE 27 11.712 -14.480 -0.812 196 HB3 PHE 27 HB1 PHE 27 12.001 -15.946 -1.741 197 HD1 PHE 27 HD1 PHE 27 13.478 -12.812 -0.533 198 HD2 PHE 27 HD2 PHE 27 14.171 -16.475 -2.583 199 HE1 PHE 27 HE1 PHE 27 15.905 -12.465 -0.321 200 HE2 PHE 27 HE2 PHE 27 16.599 -16.138 -2.375 201 HZ PHE 27 HZ PHE 27 17.469 -14.130 -1.243 202 H VAL 28 HN VAL 28 10.432 -15.036 -5.049 203 HA VAL 28 HA VAL 28 7.773 -15.163 -3.840 204 HB VAL 28 HB VAL 28 8.008 -13.999 -6.015 205 HG11 VAL 28 HG11 VAL 28 8.682 -16.727 -7.107 206 HG12 VAL 28 HG12 VAL 28 9.783 -15.355 -6.994 207 HG13 VAL 28 HG13 VAL 28 8.382 -15.274 -8.062 208 HG21 VAL 28 HG21 VAL 28 6.120 -15.104 -7.139 209 HG22 VAL 28 HG22 VAL 28 5.864 -14.929 -5.401 210 HG23 VAL 28 HG23 VAL 28 6.321 -16.496 -6.076 211 H HIS 29 HN HIS 29 6.576 -17.036 -3.745 212 HA HIS 29 HA HIS 29 7.799 -19.513 -4.676 213 HB2 HIS 29 HB2 HIS 29 7.154 -20.643 -2.514 214 HB3 HIS 29 HB1 HIS 29 8.493 -19.513 -2.388 215 HD1 HIS 29 HD1 HIS 29 5.219 -20.297 -0.949 216 HD2 HIS 29 HD2 HIS 29 7.739 -16.991 -1.127 217 HE1 HIS 29 HE1 HIS 29 4.445 -18.753 0.875 218 HE2 HIS 29 HE2 HIS 29 6.089 -16.846 0.864 219 H PHE 30 HN PHE 30 6.355 -21.063 -5.311 220 HA PHE 30 HA PHE 30 4.109 -20.115 -6.580 221 HB2 PHE 30 HB2 PHE 30 3.549 -22.445 -7.070 222 HB3 PHE 30 HB1 PHE 30 5.276 -22.158 -7.242 223 HD1 PHE 30 HD2 PHE 30 6.835 -22.969 -5.467 224 HD2 PHE 30 HD1 PHE 30 2.716 -24.037 -5.541 225 HE1 PHE 30 HE2 PHE 30 7.298 -24.848 -3.952 226 HE2 PHE 30 HE1 PHE 30 3.173 -25.916 -4.022 227 HZ PHE 30 HZ PHE 30 5.467 -26.324 -3.226 228 H SER 31 HN SER 31 4.290 -21.426 -3.348 229 HA SER 31 HA SER 31 1.540 -22.052 -3.084 230 HB2 SER 31 HB2 SER 31 2.200 -21.997 -0.579 231 HB3 SER 31 HB1 SER 31 2.960 -23.195 -1.631 232 HG SER 31 HG SER 31 4.508 -22.130 -0.341 233 H ALA 32 HN ALA 32 3.148 -19.068 -3.115 234 HA ALA 32 HA ALA 32 1.256 -17.759 -1.324 235 HB1 ALA 32 HB1 ALA 32 3.630 -17.133 -1.233 236 HB2 ALA 32 HB2 ALA 32 2.598 -15.767 -1.655 237 HB3 ALA 32 HB3 ALA 32 3.537 -16.581 -2.906 238 H ILE 33 HN ILE 33 1.305 -18.673 -4.506 239 HA ILE 33 HA ILE 33 0.020 -16.281 -5.547 240 HB ILE 33 HB ILE 33 0.943 -18.832 -6.876 241 HG12 ILE 33 HG12 ILE 33 2.256 -17.140 -8.254 242 HG13 ILE 33 HG11 ILE 33 1.759 -15.929 -7.079 243 HG21 ILE 33 HG21 ILE 33 0.174 -17.907 -9.013 244 HG22 ILE 33 HG22 ILE 33 -0.600 -16.575 -8.153 245 HG23 ILE 33 HG23 ILE 33 -1.166 -18.229 -7.914 246 HD11 ILE 33 HD11 ILE 33 3.990 -16.717 -6.612 247 HD12 ILE 33 HD12 ILE 33 3.411 -18.380 -6.524 248 HD13 ILE 33 HD13 ILE 33 2.894 -17.201 -5.319 249 H GLN 34 HN GLN 34 -2.089 -16.073 -5.923 250 HA GLN 34 HA GLN 34 -3.796 -18.455 -5.748 251 HB2 GLN 34 HB2 GLN 34 -5.538 -17.064 -4.666 252 HB3 GLN 34 HB1 GLN 34 -4.091 -17.208 -3.683 253 HG2 GLN 34 HG2 GLN 34 -4.566 -14.988 -3.445 254 HG3 GLN 34 HG1 GLN 34 -3.446 -14.944 -4.804 255 HE21 GLN 34 HE21 GLN 34 -4.226 -13.030 -5.601 256 HE22 GLN 34 HE22 GLN 34 -5.787 -12.881 -6.340 257 H GLY 35 HN GLY 35 -5.717 -18.363 -7.064 258 HA2 GLY 35 HA2 GLY 35 -6.454 -16.239 -8.693 259 HA3 GLY 35 HA1 GLY 35 -5.251 -17.158 -9.586 260 H ASP 36 HN ASP 36 -7.092 -17.409 -11.075 261 HA ASP 36 HA ASP 36 -9.177 -19.252 -10.253 262 HB2 ASP 36 HB2 ASP 36 -8.552 -18.044 -12.959 263 HB3 ASP 36 HB1 ASP 36 -9.967 -19.025 -12.592 264 H GLY 37 HN GLY 37 -6.033 -19.536 -11.182 265 HA2 GLY 37 HA2 GLY 37 -5.840 -22.254 -11.287 266 HA3 GLY 37 HA1 GLY 37 -6.206 -21.790 -12.946 267 H PHE 38 HN PHE 38 -4.133 -20.590 -10.313 268 HA PHE 38 HA PHE 38 -1.949 -20.404 -12.267 269 HB2 PHE 38 HB2 PHE 38 -2.787 -18.244 -10.325 270 HB3 PHE 38 HB1 PHE 38 -1.300 -18.217 -11.267 271 HD1 PHE 38 HD1 PHE 38 -1.395 -17.968 -13.719 272 HD2 PHE 38 HD2 PHE 38 -4.885 -17.686 -11.299 273 HE1 PHE 38 HE1 PHE 38 -2.591 -16.884 -15.576 274 HE2 PHE 38 HE2 PHE 38 -6.085 -16.603 -13.150 275 HZ PHE 38 HZ PHE 38 -4.940 -16.201 -15.292 276 H LYS 39 HN LYS 39 -0.406 -21.699 -11.568 277 HA LYS 39 HA LYS 39 0.472 -21.328 -8.779 278 HB2 LYS 39 HB2 LYS 39 1.712 -23.514 -9.085 279 HB3 LYS 39 HB1 LYS 39 -0.036 -23.637 -9.010 280 HG2 LYS 39 HG2 LYS 39 0.663 -25.117 -10.702 281 HG3 LYS 39 HG1 LYS 39 -0.026 -23.723 -11.530 282 HD2 LYS 39 HD2 LYS 39 1.989 -24.395 -12.664 283 HD3 LYS 39 HD1 LYS 39 2.271 -22.848 -11.869 284 HE2 LYS 39 HE2 LYS 39 4.183 -24.288 -11.551 285 HE3 LYS 39 HE1 LYS 39 3.368 -24.031 -10.010 286 HZ1 LYS 39 HZ1 LYS 39 4.060 -26.364 -10.443 287 HZ2 LYS 39 HZ2 LYS 39 2.939 -26.422 -11.713 288 HZ3 LYS 39 HZ3 LYS 39 2.406 -26.181 -10.121 289 H SER 40 HN SER 40 0.923 -20.281 -11.735 290 HA SER 40 HA SER 40 3.773 -19.753 -11.368 291 HB2 SER 40 HB2 SER 40 3.520 -21.683 -12.934 292 HB3 SER 40 HB1 SER 40 2.534 -20.665 -13.980 293 HG SER 40 HG SER 40 4.788 -20.808 -14.574 294 H LEU 41 HN LEU 41 4.439 -17.779 -12.273 295 HA LEU 41 HA LEU 41 2.201 -15.967 -12.867 296 HB2 LEU 41 HB2 LEU 41 4.912 -15.396 -11.670 297 HB3 LEU 41 HB1 LEU 41 3.745 -14.160 -12.104 298 HG LEU 41 HG LEU 41 3.341 -16.306 -10.019 299 HD11 LEU 41 HD11 LEU 41 3.816 -13.342 -9.745 300 HD12 LEU 41 HD12 LEU 41 4.955 -14.622 -9.323 301 HD13 LEU 41 HD13 LEU 41 3.445 -14.453 -8.426 302 HD21 LEU 41 HD21 LEU 41 1.247 -15.705 -11.104 303 HD22 LEU 41 HD22 LEU 41 1.583 -13.996 -10.833 304 HD23 LEU 41 HD23 LEU 41 1.300 -15.065 -9.461 305 H ASP 42 HN ASP 42 2.594 -14.236 -14.378 306 HA ASP 42 HA ASP 42 4.268 -15.124 -16.588 307 HB2 ASP 42 HB2 ASP 42 2.238 -12.881 -16.405 308 HB3 ASP 42 HB1 ASP 42 3.115 -13.328 -17.866 309 H GLU 43 HN GLU 43 6.232 -14.353 -16.891 310 HA GLU 43 HA GLU 43 7.293 -12.329 -15.201 311 HB2 GLU 43 HB2 GLU 43 9.360 -12.601 -16.537 312 HB3 GLU 43 HB1 GLU 43 8.716 -14.127 -15.953 313 HG2 GLU 43 HG2 GLU 43 7.731 -14.532 -18.169 314 HG3 GLU 43 HG1 GLU 43 8.459 -13.031 -18.742 315 H GLY 44 HN GLY 44 7.551 -10.208 -15.516 316 HA2 GLY 44 HA2 GLY 44 7.779 -8.262 -16.881 317 HA3 GLY 44 HA1 GLY 44 6.945 -9.111 -18.174 318 H GLN 45 HN GLN 45 5.056 -9.975 -15.748 319 HA GLN 45 HA GLN 45 3.252 -7.732 -16.175 320 HB2 GLN 45 HB2 GLN 45 1.520 -9.089 -15.404 321 HB3 GLN 45 HB1 GLN 45 2.587 -10.235 -16.202 322 HG2 GLN 45 HG2 GLN 45 3.532 -10.854 -14.026 323 HG3 GLN 45 HG1 GLN 45 2.430 -9.726 -13.240 324 HE21 GLN 45 HE21 GLN 45 2.700 -12.591 -12.902 325 HE22 GLN 45 HE22 GLN 45 1.151 -13.280 -13.270 326 H ALA 46 HN ALA 46 2.191 -6.653 -14.418 327 HA ALA 46 HA ALA 46 3.941 -6.349 -12.086 328 HB1 ALA 46 HB1 ALA 46 1.665 -4.602 -13.024 329 HB2 ALA 46 HB2 ALA 46 3.374 -4.313 -13.346 330 HB3 ALA 46 HB3 ALA 46 2.765 -4.253 -11.692 331 H VAL 47 HN VAL 47 3.331 -7.044 -10.134 332 HA VAL 47 HA VAL 47 0.494 -7.690 -9.699 333 HB VAL 47 HB VAL 47 1.180 -9.691 -8.376 334 HG11 VAL 47 HG11 VAL 47 0.293 -9.958 -10.623 335 HG12 VAL 47 HG12 VAL 47 1.557 -11.152 -10.323 336 HG13 VAL 47 HG13 VAL 47 1.903 -9.728 -11.307 337 HG21 VAL 47 HG21 VAL 47 3.394 -10.662 -8.748 338 HG22 VAL 47 HG22 VAL 47 3.514 -9.075 -7.989 339 HG23 VAL 47 HG23 VAL 47 3.850 -9.256 -9.708 340 H THR 48 HN THR 48 -0.058 -7.920 -7.423 341 HA THR 48 HA THR 48 1.634 -6.234 -5.697 342 HB THR 48 HB THR 48 -1.356 -6.573 -5.411 343 HG1 THR 48 HG1 THR 48 -0.337 -5.541 -7.480 344 HG21 THR 48 HG21 THR 48 0.562 -4.438 -4.461 345 HG22 THR 48 HG22 THR 48 -0.155 -5.697 -3.459 346 HG23 THR 48 HG23 THR 48 -1.177 -4.454 -4.178 347 H PHE 49 HN PHE 49 1.849 -6.953 -3.506 348 HA PHE 49 HA PHE 49 0.485 -9.307 -2.610 349 HB2 PHE 49 HB2 PHE 49 2.640 -10.633 -2.309 350 HB3 PHE 49 HB1 PHE 49 1.997 -10.538 -3.943 351 HD1 PHE 49 HD1 PHE 49 4.668 -9.411 -1.691 352 HD2 PHE 49 HD2 PHE 49 3.177 -9.385 -5.676 353 HE1 PHE 49 HE1 PHE 49 6.833 -8.570 -2.496 354 HE2 PHE 49 HE2 PHE 49 5.339 -8.543 -6.488 355 HZ PHE 49 HZ PHE 49 7.174 -8.138 -4.896 356 H ASP 50 HN ASP 50 1.116 -9.960 -0.463 357 HA ASP 50 HA ASP 50 1.939 -7.651 1.114 358 HB2 ASP 50 HB2 ASP 50 -0.045 -9.206 1.655 359 HB3 ASP 50 HB1 ASP 50 1.167 -10.371 2.177 360 H VAL 51 HN VAL 51 3.732 -7.778 2.642 361 HA VAL 51 HA VAL 51 5.808 -9.490 1.474 362 HB VAL 51 HB VAL 51 6.214 -7.080 1.273 363 HG11 VAL 51 HG11 VAL 51 6.358 -7.068 4.282 364 HG12 VAL 51 HG12 VAL 51 5.091 -6.322 3.306 365 HG13 VAL 51 HG13 VAL 51 6.746 -5.717 3.215 366 HG21 VAL 51 HG21 VAL 51 8.510 -7.071 2.147 367 HG22 VAL 51 HG22 VAL 51 8.110 -8.593 1.349 368 HG23 VAL 51 HG23 VAL 51 8.138 -8.500 3.110 369 H GLU 52 HN GLU 52 6.778 -10.998 2.586 370 HA GLU 52 HA GLU 52 6.415 -11.099 5.499 371 HB2 GLU 52 HB2 GLU 52 6.794 -13.145 3.379 372 HB3 GLU 52 HB1 GLU 52 7.546 -13.469 4.934 373 HG2 GLU 52 HG2 GLU 52 4.632 -12.857 4.521 374 HG3 GLU 52 HG1 GLU 52 5.317 -14.472 4.712 375 H GLU 53 HN GLU 53 8.168 -11.126 6.865 376 HA GLU 53 HA GLU 53 10.573 -9.959 5.860 377 HB2 GLU 53 HB2 GLU 53 9.984 -11.121 8.586 378 HB3 GLU 53 HB1 GLU 53 11.376 -10.127 8.183 379 HG2 GLU 53 HG2 GLU 53 9.819 -8.292 7.593 380 HG3 GLU 53 HG1 GLU 53 8.490 -9.296 8.173 381 H GLY 54 HN GLY 54 12.658 -10.844 5.819 382 HA2 GLY 54 HA2 GLY 54 12.789 -13.780 6.024 383 HA3 GLY 54 HA1 GLY 54 13.423 -12.951 4.607 384 H GLN 55 HN GLN 55 14.918 -14.619 6.359 385 HA GLN 55 HA GLN 55 16.530 -12.851 7.988 386 HB2 GLN 55 HB2 GLN 55 17.807 -14.940 8.495 387 HB3 GLN 55 HB1 GLN 55 16.098 -15.020 8.895 388 HG2 GLN 55 HG2 GLN 55 15.792 -16.166 6.642 389 HG3 GLN 55 HG1 GLN 55 17.547 -16.339 6.626 390 HE21 GLN 55 HE21 GLN 55 17.441 -18.576 6.721 391 HE22 GLN 55 HE22 GLN 55 16.979 -19.416 8.165 392 H ARG 56 HN ARG 56 16.342 -13.317 4.827 393 HA ARG 56 HA ARG 56 19.102 -12.426 4.447 394 HB2 ARG 56 HB2 ARG 56 17.692 -14.495 2.749 395 HB3 ARG 56 HB1 ARG 56 19.143 -13.646 2.239 396 HG2 ARG 56 HG2 ARG 56 20.322 -14.581 4.211 397 HG3 ARG 56 HG1 ARG 56 18.873 -15.523 4.576 398 HD2 ARG 56 HD2 ARG 56 19.030 -16.595 2.379 399 HD3 ARG 56 HD1 ARG 56 20.487 -15.665 2.033 400 HE ARG 56 HE ARG 56 20.755 -17.155 4.447 401 HH11 ARG 56 HH11 ARG 56 20.941 -17.384 0.949 402 HH12 ARG 56 HH12 ARG 56 21.897 -18.837 0.966 403 HH21 ARG 56 HH21 ARG 56 22.065 -19.023 4.477 404 HH22 ARG 56 HH22 ARG 56 22.521 -19.783 2.979 405 H GLY 57 HN GLY 57 15.977 -12.908 2.837 406 HA2 GLY 57 HA2 GLY 57 15.876 -10.059 2.250 407 HA3 GLY 57 HA1 GLY 57 15.844 -11.153 0.870 408 HA PRO 58 HA PRO 58 11.560 -10.659 2.914 409 HB2 PRO 58 HB2 PRO 58 10.410 -8.930 1.171 410 HB3 PRO 58 HB1 PRO 58 11.266 -8.399 2.622 411 HG2 PRO 58 HG2 PRO 58 12.217 -8.491 -0.212 412 HG3 PRO 58 HG1 PRO 58 12.464 -7.233 1.014 413 HD2 PRO 58 HD2 PRO 58 14.362 -9.074 0.379 414 HD3 PRO 58 HD1 PRO 58 14.213 -8.357 1.997 415 H GLN 59 HN GLN 59 9.866 -11.922 2.233 416 HA GLN 59 HA GLN 59 10.048 -12.926 -0.528 417 HB2 GLN 59 HB2 GLN 59 9.109 -15.038 0.236 418 HB3 GLN 59 HB1 GLN 59 10.578 -14.662 1.122 419 HG2 GLN 59 HG2 GLN 59 9.356 -14.057 3.061 420 HG3 GLN 59 HG1 GLN 59 7.825 -14.104 2.186 421 HE21 GLN 59 HE21 GLN 59 8.610 -15.561 4.591 422 HE22 GLN 59 HE22 GLN 59 8.433 -17.237 4.197 423 H ALA 60 HN ALA 60 8.002 -13.654 -1.461 424 HA ALA 60 HA ALA 60 5.969 -11.633 -0.962 425 HB1 ALA 60 HB1 ALA 60 6.759 -11.981 -3.249 426 HB2 ALA 60 HB2 ALA 60 5.036 -12.334 -3.106 427 HB3 ALA 60 HB3 ALA 60 6.204 -13.653 -3.187 428 H ALA 61 HN ALA 61 4.094 -12.018 0.016 429 HA ALA 61 HA ALA 61 3.047 -14.762 0.089 430 HB1 ALA 61 HB1 ALA 61 2.399 -14.481 2.438 431 HB2 ALA 61 HB2 ALA 61 3.204 -12.913 2.471 432 HB3 ALA 61 HB3 ALA 61 4.149 -14.384 2.239 433 H ASN 62 HN ASN 62 0.864 -14.879 -0.206 434 HA ASN 62 HA ASN 62 -1.221 -14.247 -0.847 435 HB2 ASN 62 HB2 ASN 62 -0.742 -11.716 0.746 436 HB3 ASN 62 HB1 ASN 62 -2.299 -12.376 0.262 437 HD21 ASN 62 HD21 ASN 62 0.334 -12.568 2.458 438 HD22 ASN 62 HD22 ASN 62 -0.381 -13.691 3.563 439 H VAL 63 HN VAL 63 -0.710 -14.061 -3.016 440 HA VAL 63 HA VAL 63 0.229 -11.476 -3.982 441 HB VAL 63 HB VAL 63 -0.250 -14.048 -5.497 442 HG11 VAL 63 HG11 VAL 63 -0.509 -12.126 -6.958 443 HG12 VAL 63 HG12 VAL 63 0.996 -12.970 -7.322 444 HG13 VAL 63 HG13 VAL 63 1.028 -11.469 -6.397 445 HG21 VAL 63 HG21 VAL 63 2.189 -14.210 -5.567 446 HG22 VAL 63 HG22 VAL 63 1.595 -14.210 -3.906 447 HG23 VAL 63 HG23 VAL 63 2.317 -12.751 -4.586 448 H GLN 64 HN GLN 64 -1.201 -9.972 -4.369 449 HA GLN 64 HA GLN 64 -3.915 -10.630 -5.226 450 HB2 GLN 64 HB2 GLN 64 -3.526 -8.958 -3.412 451 HB3 GLN 64 HB1 GLN 64 -2.664 -7.951 -4.566 452 HG2 GLN 64 HG2 GLN 64 -4.687 -7.698 -5.884 453 HG3 GLN 64 HG1 GLN 64 -5.556 -8.751 -4.769 454 HE21 GLN 64 HE21 GLN 64 -7.048 -7.200 -4.225 455 HE22 GLN 64 HE22 GLN 64 -6.657 -5.815 -3.252 456 H LYS 65 HN LYS 65 -4.481 -10.527 -7.327 457 HA LYS 65 HA LYS 65 -2.493 -10.033 -9.279 458 HB2 LYS 65 HB2 LYS 65 -4.294 -11.696 -9.572 459 HB3 LYS 65 HB1 LYS 65 -5.465 -10.389 -9.655 460 HG2 LYS 65 HG2 LYS 65 -4.787 -11.323 -11.870 461 HG3 LYS 65 HG1 LYS 65 -4.545 -9.581 -11.701 462 HD2 LYS 65 HD2 LYS 65 -2.196 -9.917 -11.254 463 HD3 LYS 65 HD1 LYS 65 -2.412 -11.666 -11.300 464 HE2 LYS 65 HE2 LYS 65 -1.447 -10.779 -13.388 465 HE3 LYS 65 HE1 LYS 65 -2.999 -11.567 -13.648 466 HZ1 LYS 65 HZ1 LYS 65 -2.690 -9.417 -14.843 467 HZ2 LYS 65 HZ2 LYS 65 -2.695 -8.622 -13.345 468 HZ3 LYS 65 HZ3 LYS 65 -4.071 -9.480 -13.862 469 H ALA 66 HN ALA 66 -1.858 -8.162 -10.019 470 HA ALA 66 HA ALA 66 -3.579 -5.828 -9.868 471 HB1 ALA 66 HB1 ALA 66 -0.734 -6.072 -10.851 472 HB2 ALA 66 HB2 ALA 66 -1.218 -5.589 -9.225 473 HB3 ALA 66 HB3 ALA 66 -1.623 -4.570 -10.606 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 2.012 -2.871 2.469 2 H2 MET 1 HT2 MET 1 0.597 -3.288 3.309 3 H3 MET 1 HT3 MET 1 0.714 -1.782 2.537 4 HA MET 1 HA MET 1 0.568 -4.450 1.261 5 HB2 MET 1 HB2 MET 1 -1.254 -2.033 1.244 6 HB3 MET 1 HB1 MET 1 -1.425 -3.380 0.128 7 HG2 MET 1 HG2 MET 1 -2.984 -3.622 1.939 8 HG3 MET 1 HG1 MET 1 -1.765 -4.890 2.035 9 HE1 MET 1 HE1 MET 1 -2.483 -5.439 4.532 10 HE2 MET 1 HE2 MET 1 -3.728 -4.193 4.417 11 HE3 MET 1 HE3 MET 1 -2.626 -4.215 5.794 12 H GLU 2 HN GLU 2 1.817 -4.629 -0.485 13 HA GLU 2 HA GLU 2 2.816 -2.123 -1.681 14 HB2 GLU 2 HB2 GLU 2 4.383 -4.674 -1.726 15 HB3 GLU 2 HB1 GLU 2 4.958 -3.015 -1.781 16 HG2 GLU 2 HG2 GLU 2 3.902 -4.474 0.632 17 HG3 GLU 2 HG1 GLU 2 5.578 -4.047 0.306 18 H GLN 3 HN GLN 3 3.866 -2.637 -3.904 19 HA GLN 3 HA GLN 3 2.485 -4.789 -5.322 20 HB2 GLN 3 HB2 GLN 3 1.233 -2.644 -5.677 21 HB3 GLN 3 HB1 GLN 3 2.686 -1.972 -6.406 22 HG2 GLN 3 HG2 GLN 3 2.604 -3.622 -8.169 23 HG3 GLN 3 HG1 GLN 3 1.212 -4.394 -7.412 24 HE21 GLN 3 HE21 GLN 3 -0.793 -3.368 -7.484 25 HE22 GLN 3 HE22 GLN 3 -1.127 -2.098 -8.617 26 H GLY 4 HN GLY 4 3.676 -5.631 -7.074 27 HA2 GLY 4 HA2 GLY 4 6.246 -4.408 -7.696 28 HA3 GLY 4 HA1 GLY 4 6.315 -5.971 -6.892 29 H THR 5 HN THR 5 7.396 -5.526 -9.412 30 HA THR 5 HA THR 5 5.516 -6.831 -11.241 31 HB THR 5 HB THR 5 8.233 -5.644 -11.848 32 HG1 THR 5 HG1 THR 5 5.938 -4.387 -12.760 33 HG21 THR 5 HG21 THR 5 7.491 -5.721 -14.180 34 HG22 THR 5 HG22 THR 5 5.974 -6.467 -13.681 35 HG23 THR 5 HG23 THR 5 7.495 -7.334 -13.469 36 H VAL 6 HN VAL 6 5.675 -8.959 -11.596 37 HA VAL 6 HA VAL 6 7.649 -10.595 -10.406 38 HB VAL 6 HB VAL 6 5.869 -11.274 -12.760 39 HG11 VAL 6 HG11 VAL 6 7.675 -12.861 -12.512 40 HG12 VAL 6 HG12 VAL 6 6.157 -13.601 -12.002 41 HG13 VAL 6 HG13 VAL 6 7.317 -13.046 -10.794 42 HG21 VAL 6 HG21 VAL 6 4.560 -10.498 -10.855 43 HG22 VAL 6 HG22 VAL 6 5.371 -11.665 -9.812 44 HG23 VAL 6 HG23 VAL 6 4.332 -12.226 -11.121 45 H LYS 7 HN LYS 7 9.733 -10.667 -10.982 46 HA LYS 7 HA LYS 7 10.471 -9.602 -13.579 47 HB2 LYS 7 HB2 LYS 7 11.602 -8.805 -11.528 48 HB3 LYS 7 HB1 LYS 7 12.237 -10.424 -11.272 49 HG2 LYS 7 HG2 LYS 7 13.578 -10.296 -13.234 50 HG3 LYS 7 HG1 LYS 7 12.794 -8.799 -13.741 51 HD2 LYS 7 HD2 LYS 7 13.698 -7.681 -11.738 52 HD3 LYS 7 HD1 LYS 7 14.527 -9.177 -11.302 53 HE2 LYS 7 HE2 LYS 7 15.890 -9.077 -13.250 54 HE3 LYS 7 HE1 LYS 7 14.940 -7.750 -13.917 55 HZ1 LYS 7 HZ1 LYS 7 17.026 -6.976 -12.975 56 HZ2 LYS 7 HZ2 LYS 7 16.609 -7.615 -11.458 57 HZ3 LYS 7 HZ3 LYS 7 15.703 -6.337 -12.120 58 H TRP 8 HN TRP 8 11.281 -12.508 -11.663 59 HA TRP 8 HA TRP 8 11.235 -14.124 -14.050 60 HB2 TRP 8 HB2 TRP 8 13.452 -13.177 -14.310 61 HB3 TRP 8 HB1 TRP 8 13.858 -13.572 -12.644 62 HD1 TRP 8 HD1 TRP 8 12.402 -15.863 -15.425 63 HE1 TRP 8 HE1 TRP 8 13.942 -17.910 -15.656 64 HE3 TRP 8 HE3 TRP 8 15.980 -14.544 -12.030 65 HZ2 TRP 8 HZ2 TRP 8 16.373 -18.832 -14.538 66 HZ3 TRP 8 HZ3 TRP 8 17.882 -16.059 -11.671 67 HH2 TRP 8 HH2 TRP 8 18.073 -18.159 -12.899 68 H PHE 9 HN PHE 9 10.841 -16.225 -13.586 69 HA PHE 9 HA PHE 9 10.774 -16.964 -10.743 70 HB2 PHE 9 HB2 PHE 9 8.716 -17.274 -12.127 71 HB3 PHE 9 HB1 PHE 9 9.601 -18.416 -13.131 72 HD1 PHE 9 HD2 PHE 9 8.182 -17.836 -9.787 73 HD2 PHE 9 HD1 PHE 9 9.981 -20.658 -12.416 74 HE1 PHE 9 HE2 PHE 9 7.545 -19.658 -8.263 75 HE2 PHE 9 HE1 PHE 9 9.345 -22.485 -10.895 76 HZ PHE 9 HZ PHE 9 8.127 -21.986 -8.816 77 H ASN 10 HN ASN 10 12.792 -17.611 -10.191 78 HA ASN 10 HA ASN 10 14.477 -19.107 -11.942 79 HB2 ASN 10 HB2 ASN 10 15.930 -19.351 -9.892 80 HB3 ASN 10 HB1 ASN 10 15.574 -17.699 -10.373 81 HD21 ASN 10 HD21 ASN 10 15.358 -20.032 -7.904 82 HD22 ASN 10 HD22 ASN 10 14.538 -19.056 -6.740 83 H ALA 11 HN ALA 11 13.205 -20.826 -12.537 84 HA ALA 11 HA ALA 11 11.846 -22.547 -10.785 85 HB1 ALA 11 HB1 ALA 11 11.250 -22.319 -13.133 86 HB2 ALA 11 HB2 ALA 11 11.576 -24.004 -12.726 87 HB3 ALA 11 HB3 ALA 11 12.778 -23.061 -13.603 88 H GLU 12 HN GLU 12 15.168 -22.521 -11.852 89 HA GLU 12 HA GLU 12 15.662 -25.272 -11.256 90 HB2 GLU 12 HB2 GLU 12 17.616 -22.983 -11.545 91 HB3 GLU 12 HB1 GLU 12 18.051 -24.686 -11.467 92 HG2 GLU 12 HG2 GLU 12 16.542 -23.256 -13.634 93 HG3 GLU 12 HG1 GLU 12 18.085 -24.101 -13.749 94 H LYS 13 HN LYS 13 15.207 -22.560 -9.329 95 HA LYS 13 HA LYS 13 16.375 -23.989 -7.037 96 HB2 LYS 13 HB2 LYS 13 15.704 -21.051 -7.286 97 HB3 LYS 13 HB1 LYS 13 16.327 -21.830 -5.839 98 HG2 LYS 13 HG2 LYS 13 17.761 -21.572 -8.477 99 HG3 LYS 13 HG1 LYS 13 18.098 -20.663 -7.003 100 HD2 LYS 13 HD2 LYS 13 18.363 -23.649 -7.347 101 HD3 LYS 13 HD1 LYS 13 19.691 -22.489 -7.294 102 HE2 LYS 13 HE2 LYS 13 19.146 -21.910 -5.014 103 HE3 LYS 13 HE1 LYS 13 17.721 -22.948 -5.055 104 HZ1 LYS 13 HZ1 LYS 13 20.561 -23.800 -5.197 105 HZ2 LYS 13 HZ2 LYS 13 19.250 -24.841 -5.449 106 HZ3 LYS 13 HZ3 LYS 13 19.460 -24.099 -3.940 107 H GLY 14 HN GLY 14 13.522 -22.818 -8.523 108 HA2 GLY 14 HA2 GLY 14 11.362 -23.570 -8.045 109 HA3 GLY 14 HA1 GLY 14 11.918 -24.102 -6.464 110 H PHE 15 HN PHE 15 12.577 -20.884 -7.665 111 HA PHE 15 HA PHE 15 10.511 -19.809 -5.879 112 HB2 PHE 15 HB2 PHE 15 13.422 -18.974 -5.863 113 HB3 PHE 15 HB1 PHE 15 12.132 -18.123 -5.023 114 HD1 PHE 15 HD1 PHE 15 10.892 -19.330 -3.189 115 HD2 PHE 15 HD2 PHE 15 14.515 -20.786 -4.879 116 HE1 PHE 15 HE1 PHE 15 11.246 -20.741 -1.206 117 HE2 PHE 15 HE2 PHE 15 14.874 -22.202 -2.901 118 HZ PHE 15 HZ PHE 15 13.240 -22.179 -1.059 119 H GLY 16 HN GLY 16 10.670 -17.241 -6.146 120 HA2 GLY 16 HA2 GLY 16 11.297 -16.578 -8.937 121 HA3 GLY 16 HA1 GLY 16 9.692 -16.219 -8.309 122 H PHE 17 HN PHE 17 11.659 -14.364 -9.323 123 HA PHE 17 HA PHE 17 12.196 -12.790 -6.896 124 HB2 PHE 17 HB2 PHE 17 13.455 -12.642 -9.642 125 HB3 PHE 17 HB1 PHE 17 13.760 -11.481 -8.356 126 HD1 PHE 17 HD2 PHE 17 14.580 -12.552 -6.091 127 HD2 PHE 17 HD1 PHE 17 14.905 -14.390 -9.915 128 HE1 PHE 17 HE2 PHE 17 16.420 -13.956 -5.257 129 HE2 PHE 17 HE1 PHE 17 16.746 -15.796 -9.087 130 HZ PHE 17 HZ PHE 17 17.506 -15.580 -6.755 131 H ILE 18 HN ILE 18 11.186 -10.923 -6.626 132 HA ILE 18 HA ILE 18 9.680 -9.794 -8.889 133 HB ILE 18 HB ILE 18 9.092 -9.724 -5.932 134 HG12 ILE 18 HG12 ILE 18 7.566 -10.701 -8.351 135 HG13 ILE 18 HG11 ILE 18 8.276 -11.691 -7.079 136 HG21 ILE 18 HG21 ILE 18 7.770 -8.102 -8.105 137 HG22 ILE 18 HG22 ILE 18 8.757 -7.473 -6.789 138 HG23 ILE 18 HG23 ILE 18 7.207 -8.233 -6.439 139 HD11 ILE 18 HD11 ILE 18 5.964 -9.791 -6.808 140 HD12 ILE 18 HD12 ILE 18 6.712 -10.663 -5.472 141 HD13 ILE 18 HD13 ILE 18 5.903 -11.552 -6.764 142 H GLU 19 HN GLU 19 10.009 -7.744 -9.444 143 HA GLU 19 HA GLU 19 12.205 -6.335 -8.103 144 HB2 GLU 19 HB2 GLU 19 12.536 -6.879 -10.481 145 HB3 GLU 19 HB1 GLU 19 11.068 -6.004 -10.891 146 HG2 GLU 19 HG2 GLU 19 12.059 -3.923 -10.238 147 HG3 GLU 19 HG1 GLU 19 13.487 -4.750 -9.615 148 H ARG 20 HN ARG 20 11.726 -4.628 -6.910 149 HA ARG 20 HA ARG 20 9.303 -3.090 -7.584 150 HB2 ARG 20 HB2 ARG 20 9.353 -4.470 -5.349 151 HB3 ARG 20 HB1 ARG 20 10.401 -3.172 -4.788 152 HG2 ARG 20 HG2 ARG 20 8.662 -1.540 -5.278 153 HG3 ARG 20 HG1 ARG 20 7.611 -2.826 -5.868 154 HD2 ARG 20 HD2 ARG 20 6.836 -2.571 -3.726 155 HD3 ARG 20 HD1 ARG 20 8.029 -3.847 -3.501 156 HE ARG 20 HE ARG 20 9.517 -1.746 -2.934 157 HH11 ARG 20 HH11 ARG 20 6.199 -2.337 -2.090 158 HH12 ARG 20 HH12 ARG 20 6.258 -1.467 -0.586 159 HH21 ARG 20 HH21 ARG 20 9.621 -0.540 -0.953 160 HH22 ARG 20 HH22 ARG 20 8.207 -0.436 0.047 161 H GLU 21 HN GLU 21 9.559 -0.800 -6.418 162 HA GLU 21 HA GLU 21 11.736 0.442 -7.726 163 HB2 GLU 21 HB2 GLU 21 9.975 1.641 -5.586 164 HB3 GLU 21 HB1 GLU 21 10.899 2.509 -6.805 165 HG2 GLU 21 HG2 GLU 21 8.519 0.726 -7.279 166 HG3 GLU 21 HG1 GLU 21 8.571 2.484 -7.405 167 H ASN 22 HN ASN 22 11.652 -1.224 -4.858 168 HA ASN 22 HA ASN 22 13.929 0.270 -3.743 169 HB2 ASN 22 HB2 ASN 22 12.091 -1.718 -2.387 170 HB3 ASN 22 HB1 ASN 22 13.470 -0.934 -1.626 171 HD21 ASN 22 HD21 ASN 22 13.343 1.230 -1.064 172 HD22 ASN 22 HD22 ASN 22 11.830 2.079 -1.016 173 H GLY 23 HN GLY 23 13.592 -2.029 -5.869 174 HA2 GLY 23 HA2 GLY 23 15.806 -3.093 -6.357 175 HA3 GLY 23 HA1 GLY 23 15.732 -3.707 -4.715 176 H ASP 24 HN ASP 24 16.020 -5.215 -7.124 177 HA ASP 24 HA ASP 24 13.489 -6.680 -7.296 178 HB2 ASP 24 HB2 ASP 24 14.556 -7.863 -9.193 179 HB3 ASP 24 HB1 ASP 24 14.539 -6.121 -9.430 180 H ASP 25 HN ASP 25 14.216 -7.102 -4.913 181 HA ASP 25 HA ASP 25 15.879 -9.534 -4.850 182 HB2 ASP 25 HB2 ASP 25 16.864 -7.370 -3.851 183 HB3 ASP 25 HB1 ASP 25 15.671 -7.564 -2.573 184 H VAL 26 HN VAL 26 12.852 -8.888 -4.929 185 HA VAL 26 HA VAL 26 11.981 -9.879 -2.335 186 HB VAL 26 HB VAL 26 10.329 -9.167 -4.762 187 HG11 VAL 26 HG11 VAL 26 8.458 -9.076 -3.182 188 HG12 VAL 26 HG12 VAL 26 9.531 -9.613 -1.888 189 HG13 VAL 26 HG13 VAL 26 9.178 -10.685 -3.244 190 HG21 VAL 26 HG21 VAL 26 9.857 -7.069 -3.590 191 HG22 VAL 26 HG22 VAL 26 11.580 -7.241 -3.929 192 HG23 VAL 26 HG23 VAL 26 10.967 -7.539 -2.303 193 H PHE 27 HN PHE 27 11.784 -11.969 -1.916 194 HA PHE 27 HA PHE 27 11.755 -13.907 -4.086 195 HB2 PHE 27 HB2 PHE 27 12.158 -14.040 -1.133 196 HB3 PHE 27 HB1 PHE 27 11.620 -15.490 -1.966 197 HD1 PHE 27 HD2 PHE 27 13.033 -16.446 -3.783 198 HD2 PHE 27 HD1 PHE 27 14.412 -13.342 -1.218 199 HE1 PHE 27 HE2 PHE 27 15.355 -16.977 -4.396 200 HE2 PHE 27 HE1 PHE 27 16.736 -13.868 -1.830 201 HZ PHE 27 HZ PHE 27 17.211 -15.687 -3.419 202 H VAL 28 HN VAL 28 10.107 -15.306 -4.553 203 HA VAL 28 HA VAL 28 7.738 -15.287 -2.839 204 HB VAL 28 HB VAL 28 6.279 -15.408 -4.894 205 HG11 VAL 28 HG11 VAL 28 6.220 -12.975 -5.212 206 HG12 VAL 28 HG12 VAL 28 7.770 -12.840 -4.382 207 HG13 VAL 28 HG13 VAL 28 6.351 -13.422 -3.511 208 HG21 VAL 28 HG21 VAL 28 7.128 -14.437 -6.964 209 HG22 VAL 28 HG22 VAL 28 8.024 -15.893 -6.534 210 HG23 VAL 28 HG23 VAL 28 8.736 -14.305 -6.252 211 H HIS 29 HN HIS 29 6.547 -17.166 -2.822 212 HA HIS 29 HA HIS 29 7.331 -19.396 -4.531 213 HB2 HIS 29 HB2 HIS 29 8.718 -19.449 -2.393 214 HB3 HIS 29 HB1 HIS 29 7.214 -19.700 -1.519 215 HD1 HIS 29 HD1 HIS 29 9.137 -21.404 -4.351 216 HD2 HIS 29 HD2 HIS 29 6.653 -22.316 -1.142 217 HE1 HIS 29 HE1 HIS 29 8.981 -23.907 -4.307 218 HE2 HIS 29 HE2 HIS 29 7.358 -24.436 -2.455 219 H PHE 30 HN PHE 30 5.732 -21.361 -3.743 220 HA PHE 30 HA PHE 30 3.178 -20.458 -4.494 221 HB2 PHE 30 HB2 PHE 30 4.050 -23.109 -3.342 222 HB3 PHE 30 HB1 PHE 30 2.451 -22.796 -4.011 223 HD1 PHE 30 HD2 PHE 30 2.277 -22.117 -6.443 224 HD2 PHE 30 HD1 PHE 30 5.842 -23.694 -4.731 225 HE1 PHE 30 HE2 PHE 30 3.103 -22.686 -8.690 226 HE2 PHE 30 HE1 PHE 30 6.670 -24.262 -6.977 227 HZ PHE 30 HZ PHE 30 5.299 -23.760 -8.957 228 H SER 31 HN SER 31 4.609 -20.384 -1.440 229 HA SER 31 HA SER 31 2.331 -20.809 0.186 230 HB2 SER 31 HB2 SER 31 4.724 -19.065 0.807 231 HB3 SER 31 HB1 SER 31 3.657 -19.868 1.960 232 HG SER 31 HG SER 31 5.290 -21.254 1.857 233 H ALA 32 HN ALA 32 3.296 -18.261 -1.861 234 HA ALA 32 HA ALA 32 1.648 -16.288 -0.449 235 HB1 ALA 32 HB1 ALA 32 3.936 -15.642 -0.988 236 HB2 ALA 32 HB2 ALA 32 2.765 -14.638 -1.846 237 HB3 ALA 32 HB3 ALA 32 3.616 -15.925 -2.700 238 H ILE 33 HN ILE 33 1.699 -18.265 -3.259 239 HA ILE 33 HA ILE 33 0.414 -16.546 -5.073 240 HB ILE 33 HB ILE 33 1.725 -18.581 -5.697 241 HG12 ILE 33 HG12 ILE 33 0.255 -19.224 -7.592 242 HG13 ILE 33 HG11 ILE 33 -1.073 -18.360 -6.822 243 HG21 ILE 33 HG21 ILE 33 0.595 -20.744 -5.750 244 HG22 ILE 33 HG22 ILE 33 -0.787 -20.041 -4.911 245 HG23 ILE 33 HG23 ILE 33 0.774 -20.151 -4.097 246 HD11 ILE 33 HD11 ILE 33 0.218 -16.280 -6.993 247 HD12 ILE 33 HD12 ILE 33 -0.100 -17.017 -8.565 248 HD13 ILE 33 HD13 ILE 33 1.496 -17.164 -7.827 249 H GLN 34 HN GLN 34 -1.676 -16.461 -5.823 250 HA GLN 34 HA GLN 34 -3.741 -17.001 -3.893 251 HB2 GLN 34 HB2 GLN 34 -5.218 -15.894 -5.539 252 HB3 GLN 34 HB1 GLN 34 -3.798 -14.925 -5.169 253 HG2 GLN 34 HG2 GLN 34 -2.743 -15.679 -7.239 254 HG3 GLN 34 HG1 GLN 34 -4.169 -16.643 -7.614 255 HE21 GLN 34 HE21 GLN 34 -4.575 -15.561 -9.511 256 HE22 GLN 34 HE22 GLN 34 -5.167 -13.940 -9.557 257 H GLY 35 HN GLY 35 -5.916 -17.822 -5.108 258 HA2 GLY 35 HA2 GLY 35 -5.206 -20.220 -6.668 259 HA3 GLY 35 HA1 GLY 35 -6.228 -20.365 -5.243 260 H ASP 36 HN ASP 36 -7.833 -21.258 -6.616 261 HA ASP 36 HA ASP 36 -9.917 -21.101 -7.497 262 HB2 ASP 36 HB2 ASP 36 -9.431 -18.139 -7.199 263 HB3 ASP 36 HB1 ASP 36 -10.929 -18.794 -7.848 264 H GLY 37 HN GLY 37 -7.872 -18.602 -9.022 265 HA2 GLY 37 HA2 GLY 37 -8.794 -19.656 -11.626 266 HA3 GLY 37 HA1 GLY 37 -8.472 -17.955 -11.332 267 H PHE 38 HN PHE 38 -6.047 -17.964 -10.097 268 HA PHE 38 HA PHE 38 -4.327 -19.180 -12.161 269 HB2 PHE 38 HB2 PHE 38 -4.006 -16.490 -10.812 270 HB3 PHE 38 HB1 PHE 38 -2.833 -17.211 -11.908 271 HD1 PHE 38 HD1 PHE 38 -3.488 -17.600 -14.298 272 HD2 PHE 38 HD2 PHE 38 -5.852 -15.292 -11.616 273 HE1 PHE 38 HE1 PHE 38 -4.636 -16.561 -16.210 274 HE2 PHE 38 HE2 PHE 38 -7.006 -14.251 -13.523 275 HZ PHE 38 HZ PHE 38 -6.399 -14.887 -15.823 276 H LYS 39 HN LYS 39 -3.075 -20.710 -11.317 277 HA LYS 39 HA LYS 39 -2.234 -20.505 -8.521 278 HB2 LYS 39 HB2 LYS 39 -1.531 -22.801 -8.706 279 HB3 LYS 39 HB1 LYS 39 -3.142 -22.660 -9.389 280 HG2 LYS 39 HG2 LYS 39 -2.350 -23.779 -11.135 281 HG3 LYS 39 HG1 LYS 39 -1.497 -22.298 -11.573 282 HD2 LYS 39 HD2 LYS 39 0.443 -23.052 -10.249 283 HD3 LYS 39 HD1 LYS 39 -0.415 -24.546 -9.871 284 HE2 LYS 39 HE2 LYS 39 1.105 -24.982 -11.668 285 HE3 LYS 39 HE1 LYS 39 -0.536 -25.026 -12.303 286 HZ1 LYS 39 HZ1 LYS 39 -0.250 -22.868 -13.249 287 HZ2 LYS 39 HZ2 LYS 39 1.084 -23.813 -13.717 288 HZ3 LYS 39 HZ3 LYS 39 1.249 -22.663 -12.487 289 H SER 40 HN SER 40 -1.196 -19.363 -11.371 290 HA SER 40 HA SER 40 1.482 -18.941 -10.361 291 HB2 SER 40 HB2 SER 40 1.005 -20.183 -13.088 292 HB3 SER 40 HB1 SER 40 2.564 -19.624 -12.477 293 HG SER 40 HG SER 40 1.593 -21.215 -10.630 294 H LEU 41 HN LEU 41 2.592 -17.207 -11.573 295 HA LEU 41 HA LEU 41 0.603 -15.358 -12.707 296 HB2 LEU 41 HB2 LEU 41 3.080 -14.740 -11.094 297 HB3 LEU 41 HB1 LEU 41 2.037 -13.536 -11.826 298 HG LEU 41 HG LEU 41 1.216 -15.475 -9.659 299 HD11 LEU 41 HD11 LEU 41 2.768 -13.790 -8.846 300 HD12 LEU 41 HD12 LEU 41 1.142 -13.490 -8.233 301 HD13 LEU 41 HD13 LEU 41 1.778 -12.515 -9.558 302 HD21 LEU 41 HD21 LEU 41 -0.628 -14.884 -11.153 303 HD22 LEU 41 HD22 LEU 41 -0.283 -13.172 -10.904 304 HD23 LEU 41 HD23 LEU 41 -0.836 -14.164 -9.554 305 H ASP 42 HN ASP 42 1.518 -13.685 -14.125 306 HA ASP 42 HA ASP 42 3.183 -14.893 -16.151 307 HB2 ASP 42 HB2 ASP 42 1.733 -12.244 -15.981 308 HB3 ASP 42 HB1 ASP 42 2.738 -12.697 -17.350 309 H GLU 43 HN GLU 43 5.307 -14.607 -16.348 310 HA GLU 43 HA GLU 43 6.790 -12.825 -14.692 311 HB2 GLU 43 HB2 GLU 43 7.606 -14.295 -17.210 312 HB3 GLU 43 HB1 GLU 43 8.714 -13.424 -16.162 313 HG2 GLU 43 HG2 GLU 43 8.091 -14.959 -14.316 314 HG3 GLU 43 HG1 GLU 43 7.107 -15.867 -15.464 315 H GLY 44 HN GLY 44 6.822 -10.695 -14.927 316 HA2 GLY 44 HA2 GLY 44 7.536 -8.836 -16.317 317 HA3 GLY 44 HA1 GLY 44 6.727 -9.615 -17.666 318 H GLN 45 HN GLN 45 4.667 -10.070 -15.150 319 HA GLN 45 HA GLN 45 3.223 -7.598 -15.814 320 HB2 GLN 45 HB2 GLN 45 1.215 -8.667 -15.374 321 HB3 GLN 45 HB1 GLN 45 2.174 -9.973 -16.053 322 HG2 GLN 45 HG2 GLN 45 2.655 -10.785 -13.793 323 HG3 GLN 45 HG1 GLN 45 1.679 -9.476 -13.124 324 HE21 GLN 45 HE21 GLN 45 1.319 -12.309 -12.809 325 HE22 GLN 45 HE22 GLN 45 -0.242 -12.706 -13.453 326 H ALA 46 HN ALA 46 2.253 -6.354 -14.167 327 HA ALA 46 HA ALA 46 3.723 -6.432 -11.638 328 HB1 ALA 46 HB1 ALA 46 3.556 -4.287 -12.854 329 HB2 ALA 46 HB2 ALA 46 2.829 -4.211 -11.249 330 HB3 ALA 46 HB3 ALA 46 1.801 -4.349 -12.675 331 H VAL 47 HN VAL 47 2.809 -6.948 -9.733 332 HA VAL 47 HA VAL 47 -0.098 -7.207 -9.566 333 HB VAL 47 HB VAL 47 0.351 -9.416 -8.257 334 HG11 VAL 47 HG11 VAL 47 0.510 -9.313 -11.269 335 HG12 VAL 47 HG12 VAL 47 -0.964 -9.293 -10.304 336 HG13 VAL 47 HG13 VAL 47 0.063 -10.726 -10.313 337 HG21 VAL 47 HG21 VAL 47 2.774 -9.320 -8.284 338 HG22 VAL 47 HG22 VAL 47 2.776 -9.292 -10.048 339 HG23 VAL 47 HG23 VAL 47 2.220 -10.728 -9.188 340 H THR 48 HN THR 48 -0.888 -7.311 -7.396 341 HA THR 48 HA THR 48 0.721 -5.671 -5.625 342 HB THR 48 HB THR 48 -2.114 -6.665 -5.257 343 HG1 THR 48 HG1 THR 48 -2.498 -5.343 -6.868 344 HG21 THR 48 HG21 THR 48 -1.071 -5.854 -3.197 345 HG22 THR 48 HG22 THR 48 -2.335 -4.751 -3.740 346 HG23 THR 48 HG23 THR 48 -0.639 -4.349 -4.005 347 H PHE 49 HN PHE 49 1.496 -6.321 -3.639 348 HA PHE 49 HA PHE 49 1.044 -9.087 -2.783 349 HB2 PHE 49 HB2 PHE 49 3.595 -7.949 -3.796 350 HB3 PHE 49 HB1 PHE 49 3.699 -8.961 -2.363 351 HD1 PHE 49 HD1 PHE 49 2.915 -8.879 -5.939 352 HD2 PHE 49 HD2 PHE 49 3.282 -11.306 -2.468 353 HE1 PHE 49 HE1 PHE 49 2.944 -10.892 -7.351 354 HE2 PHE 49 HE2 PHE 49 3.310 -13.321 -3.870 355 HZ PHE 49 HZ PHE 49 3.141 -13.117 -6.318 356 H ASP 50 HN ASP 50 1.282 -9.418 -0.585 357 HA ASP 50 HA ASP 50 1.972 -7.031 1.001 358 HB2 ASP 50 HB2 ASP 50 -0.142 -8.358 1.480 359 HB3 ASP 50 HB1 ASP 50 0.902 -9.659 2.047 360 H VAL 51 HN VAL 51 4.132 -6.875 1.315 361 HA VAL 51 HA VAL 51 5.696 -9.345 1.309 362 HB VAL 51 HB VAL 51 6.289 -7.539 -0.294 363 HG11 VAL 51 HG11 VAL 51 7.133 -6.024 2.170 364 HG12 VAL 51 HG12 VAL 51 5.792 -5.610 1.099 365 HG13 VAL 51 HG13 VAL 51 7.451 -5.553 0.501 366 HG21 VAL 51 HG21 VAL 51 8.702 -7.619 0.085 367 HG22 VAL 51 HG22 VAL 51 7.950 -9.190 0.352 368 HG23 VAL 51 HG23 VAL 51 8.424 -8.197 1.728 369 H GLU 52 HN GLU 52 7.022 -9.987 2.925 370 HA GLU 52 HA GLU 52 7.367 -8.227 5.244 371 HB2 GLU 52 HB2 GLU 52 6.543 -11.136 5.336 372 HB3 GLU 52 HB1 GLU 52 7.174 -10.262 6.726 373 HG2 GLU 52 HG2 GLU 52 5.307 -8.656 6.508 374 HG3 GLU 52 HG1 GLU 52 4.653 -9.647 5.204 375 H GLU 53 HN GLU 53 9.336 -8.409 6.275 376 HA GLU 53 HA GLU 53 11.412 -9.542 4.597 377 HB2 GLU 53 HB2 GLU 53 11.652 -7.908 7.131 378 HB3 GLU 53 HB1 GLU 53 12.977 -8.343 6.062 379 HG2 GLU 53 HG2 GLU 53 12.584 -6.238 5.322 380 HG3 GLU 53 HG1 GLU 53 11.461 -7.108 4.280 381 H GLY 54 HN GLY 54 12.149 -11.524 4.884 382 HA2 GLY 54 HA2 GLY 54 11.843 -12.808 7.502 383 HA3 GLY 54 HA1 GLY 54 12.214 -13.622 5.987 384 H GLN 55 HN GLN 55 13.677 -14.196 8.238 385 HA GLN 55 HA GLN 55 16.049 -12.567 8.380 386 HB2 GLN 55 HB2 GLN 55 15.328 -15.235 9.590 387 HB3 GLN 55 HB1 GLN 55 16.856 -14.420 9.883 388 HG2 GLN 55 HG2 GLN 55 15.771 -12.605 10.971 389 HG3 GLN 55 HG1 GLN 55 14.180 -13.189 10.486 390 HE21 GLN 55 HE21 GLN 55 13.252 -14.887 11.581 391 HE22 GLN 55 HE22 GLN 55 13.865 -15.475 13.093 392 H ARG 56 HN ARG 56 16.227 -12.865 5.947 393 HA ARG 56 HA ARG 56 18.481 -14.223 5.197 394 HB2 ARG 56 HB2 ARG 56 17.671 -16.150 3.912 395 HB3 ARG 56 HB1 ARG 56 17.287 -16.332 5.617 396 HG2 ARG 56 HG2 ARG 56 14.984 -15.567 5.135 397 HG3 ARG 56 HG1 ARG 56 15.393 -15.528 3.419 398 HD2 ARG 56 HD2 ARG 56 15.481 -17.951 5.211 399 HD3 ARG 56 HD1 ARG 56 14.238 -17.595 4.012 400 HE ARG 56 HE ARG 56 16.535 -17.569 2.558 401 HH11 ARG 56 HH11 ARG 56 15.127 -19.893 4.782 402 HH12 ARG 56 HH12 ARG 56 15.799 -21.270 3.959 403 HH21 ARG 56 HH21 ARG 56 17.421 -19.370 1.489 404 HH22 ARG 56 HH22 ARG 56 17.122 -20.969 2.103 405 H GLY 57 HN GLY 57 15.356 -12.977 4.421 406 HA2 GLY 57 HA2 GLY 57 16.166 -11.158 2.528 407 HA3 GLY 57 HA1 GLY 57 15.759 -12.616 1.630 408 HA PRO 58 HA PRO 58 11.862 -10.215 3.006 409 HB2 PRO 58 HB2 PRO 58 11.504 -8.456 0.978 410 HB3 PRO 58 HB1 PRO 58 12.398 -8.050 2.447 411 HG2 PRO 58 HG2 PRO 58 13.430 -8.820 -0.250 412 HG3 PRO 58 HG1 PRO 58 14.033 -7.588 0.872 413 HD2 PRO 58 HD2 PRO 58 15.164 -10.061 0.593 414 HD3 PRO 58 HD1 PRO 58 15.239 -9.111 2.090 415 H GLN 59 HN GLN 59 10.280 -11.607 2.510 416 HA GLN 59 HA GLN 59 10.011 -12.418 -0.303 417 HB2 GLN 59 HB2 GLN 59 9.078 -14.494 0.376 418 HB3 GLN 59 HB1 GLN 59 10.521 -14.258 1.351 419 HG2 GLN 59 HG2 GLN 59 9.222 -13.659 3.257 420 HG3 GLN 59 HG1 GLN 59 7.740 -13.624 2.301 421 HE21 GLN 59 HE21 GLN 59 8.275 -15.175 4.666 422 HE22 GLN 59 HE22 GLN 59 8.129 -16.840 4.214 423 H ALA 60 HN ALA 60 8.011 -12.346 -1.255 424 HA ALA 60 HA ALA 60 6.100 -10.613 0.125 425 HB1 ALA 60 HB1 ALA 60 5.117 -10.248 -2.085 426 HB2 ALA 60 HB2 ALA 60 6.259 -11.399 -2.783 427 HB3 ALA 60 HB3 ALA 60 6.844 -9.889 -2.082 428 H ALA 61 HN ALA 61 4.166 -11.302 0.776 429 HA ALA 61 HA ALA 61 3.259 -13.960 -0.116 430 HB1 ALA 61 HB1 ALA 61 4.001 -14.072 2.207 431 HB2 ALA 61 HB2 ALA 61 2.253 -14.272 2.103 432 HB3 ALA 61 HB3 ALA 61 2.933 -12.731 2.622 433 H ASN 62 HN ASN 62 0.811 -14.169 0.240 434 HA ASN 62 HA ASN 62 -1.291 -13.517 -0.340 435 HB2 ASN 62 HB2 ASN 62 -0.495 -10.793 0.706 436 HB3 ASN 62 HB1 ASN 62 -2.131 -11.415 0.515 437 HD21 ASN 62 HD21 ASN 62 0.772 -11.507 2.370 438 HD22 ASN 62 HD22 ASN 62 0.123 -12.324 3.753 439 H VAL 63 HN VAL 63 -1.120 -13.722 -2.540 440 HA VAL 63 HA VAL 63 -0.224 -11.504 -4.156 441 HB VAL 63 HB VAL 63 -1.663 -14.033 -4.991 442 HG11 VAL 63 HG11 VAL 63 -1.915 -12.252 -6.633 443 HG12 VAL 63 HG12 VAL 63 -0.849 -13.520 -7.242 444 HG13 VAL 63 HG13 VAL 63 -0.167 -12.006 -6.647 445 HG21 VAL 63 HG21 VAL 63 0.545 -14.815 -5.721 446 HG22 VAL 63 HG22 VAL 63 0.486 -14.541 -3.979 447 HG23 VAL 63 HG23 VAL 63 1.277 -13.367 -5.031 448 H GLN 64 HN GLN 64 -1.447 -9.926 -5.011 449 HA GLN 64 HA GLN 64 -4.335 -10.377 -5.303 450 HB2 GLN 64 HB2 GLN 64 -3.970 -8.924 -3.347 451 HB3 GLN 64 HB1 GLN 64 -3.031 -7.820 -4.337 452 HG2 GLN 64 HG2 GLN 64 -5.039 -7.405 -5.710 453 HG3 GLN 64 HG1 GLN 64 -5.959 -8.440 -4.618 454 HE21 GLN 64 HE21 GLN 64 -7.326 -6.802 -3.976 455 HE22 GLN 64 HE22 GLN 64 -6.809 -5.503 -2.951 456 H LYS 65 HN LYS 65 -4.964 -10.063 -7.359 457 HA LYS 65 HA LYS 65 -3.099 -9.504 -9.371 458 HB2 LYS 65 HB2 LYS 65 -5.121 -10.860 -9.733 459 HB3 LYS 65 HB1 LYS 65 -6.119 -9.424 -9.539 460 HG2 LYS 65 HG2 LYS 65 -5.789 -10.065 -11.895 461 HG3 LYS 65 HG1 LYS 65 -5.184 -8.450 -11.531 462 HD2 LYS 65 HD2 LYS 65 -2.926 -9.239 -11.467 463 HD3 LYS 65 HD1 LYS 65 -3.457 -10.916 -11.591 464 HE2 LYS 65 HE2 LYS 65 -2.585 -10.044 -13.722 465 HE3 LYS 65 HE1 LYS 65 -4.279 -10.513 -13.838 466 HZ1 LYS 65 HZ1 LYS 65 -4.952 -8.259 -13.813 467 HZ2 LYS 65 HZ2 LYS 65 -3.667 -8.350 -14.920 468 HZ3 LYS 65 HZ3 LYS 65 -3.409 -7.705 -13.372 469 H ALA 66 HN ALA 66 -2.416 -7.710 -10.285 470 HA ALA 66 HA ALA 66 -3.752 -5.185 -9.642 471 HB1 ALA 66 HB1 ALA 66 -1.327 -5.369 -9.122 472 HB2 ALA 66 HB2 ALA 66 -1.705 -4.078 -10.260 473 HB3 ALA 66 HB3 ALA 66 -1.012 -5.589 -10.844 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 1.781 -4.844 3.145 2 H2 MET 1 HT2 MET 1 2.481 -3.368 2.676 3 H3 MET 1 HT3 MET 1 3.204 -4.829 2.230 4 HA MET 1 HA MET 1 1.434 -5.394 0.790 5 HB2 MET 1 HB2 MET 1 -0.366 -4.407 2.169 6 HB3 MET 1 HB1 MET 1 0.163 -2.800 1.692 7 HG2 MET 1 HG2 MET 1 -1.771 -3.476 0.408 8 HG3 MET 1 HG1 MET 1 -0.362 -3.321 -0.638 9 HE1 MET 1 HE1 MET 1 -1.260 -6.267 1.844 10 HE2 MET 1 HE2 MET 1 -2.133 -7.350 0.759 11 HE3 MET 1 HE3 MET 1 -2.813 -5.776 1.169 12 H GLU 2 HN GLU 2 2.660 -5.203 -0.941 13 HA GLU 2 HA GLU 2 3.627 -2.541 -1.756 14 HB2 GLU 2 HB2 GLU 2 4.797 -5.219 -2.520 15 HB3 GLU 2 HB1 GLU 2 5.517 -3.632 -2.753 16 HG2 GLU 2 HG2 GLU 2 5.019 -4.946 -0.093 17 HG3 GLU 2 HG1 GLU 2 6.566 -4.891 -0.934 18 H GLN 3 HN GLN 3 3.753 -2.168 -4.075 19 HA GLN 3 HA GLN 3 2.095 -3.976 -5.698 20 HB2 GLN 3 HB2 GLN 3 0.811 -1.912 -5.025 21 HB3 GLN 3 HB1 GLN 3 1.998 -0.955 -5.897 22 HG2 GLN 3 HG2 GLN 3 0.417 -3.131 -7.233 23 HG3 GLN 3 HG1 GLN 3 -0.198 -1.488 -7.077 24 HE21 GLN 3 HE21 GLN 3 0.491 -3.062 -9.465 25 HE22 GLN 3 HE22 GLN 3 1.647 -2.117 -10.335 26 H GLY 4 HN GLY 4 3.122 -4.624 -7.487 27 HA2 GLY 4 HA2 GLY 4 4.944 -2.886 -8.870 28 HA3 GLY 4 HA1 GLY 4 5.757 -4.180 -8.006 29 H THR 5 HN THR 5 6.527 -5.072 -9.897 30 HA THR 5 HA THR 5 4.521 -6.470 -11.530 31 HB THR 5 HB THR 5 6.974 -5.057 -12.608 32 HG1 THR 5 HG1 THR 5 5.380 -3.666 -13.579 33 HG21 THR 5 HG21 THR 5 6.360 -7.062 -13.876 34 HG22 THR 5 HG22 THR 5 6.057 -5.595 -14.807 35 HG23 THR 5 HG23 THR 5 4.714 -6.451 -14.047 36 H VAL 6 HN VAL 6 5.112 -8.533 -12.172 37 HA VAL 6 HA VAL 6 7.209 -9.814 -10.714 38 HB VAL 6 HB VAL 6 5.638 -10.882 -13.067 39 HG11 VAL 6 HG11 VAL 6 7.633 -12.187 -12.603 40 HG12 VAL 6 HG12 VAL 6 6.194 -13.089 -12.130 41 HG13 VAL 6 HG13 VAL 6 7.186 -12.304 -10.901 42 HG21 VAL 6 HG21 VAL 6 4.117 -11.853 -11.442 43 HG22 VAL 6 HG22 VAL 6 4.180 -10.103 -11.244 44 HG23 VAL 6 HG23 VAL 6 5.047 -11.149 -10.120 45 H LYS 7 HN LYS 7 9.306 -10.003 -11.268 46 HA LYS 7 HA LYS 7 10.082 -8.989 -13.896 47 HB2 LYS 7 HB2 LYS 7 11.149 -7.926 -11.993 48 HB3 LYS 7 HB1 LYS 7 11.721 -9.482 -11.407 49 HG2 LYS 7 HG2 LYS 7 13.290 -9.689 -13.125 50 HG3 LYS 7 HG1 LYS 7 12.512 -8.447 -14.107 51 HD2 LYS 7 HD2 LYS 7 13.907 -7.957 -11.474 52 HD3 LYS 7 HD1 LYS 7 14.615 -7.667 -13.066 53 HE2 LYS 7 HE2 LYS 7 12.714 -6.111 -13.536 54 HE3 LYS 7 HE1 LYS 7 12.209 -6.307 -11.859 55 HZ1 LYS 7 HZ1 LYS 7 13.485 -4.340 -11.996 56 HZ2 LYS 7 HZ2 LYS 7 14.730 -5.104 -12.857 57 HZ3 LYS 7 HZ3 LYS 7 14.470 -5.488 -11.224 58 H TRP 8 HN TRP 8 10.551 -11.842 -11.834 59 HA TRP 8 HA TRP 8 10.934 -13.495 -14.154 60 HB2 TRP 8 HB2 TRP 8 13.206 -12.572 -13.897 61 HB3 TRP 8 HB1 TRP 8 13.246 -13.121 -12.226 62 HD1 TRP 8 HD1 TRP 8 14.736 -15.184 -12.016 63 HE1 TRP 8 HE1 TRP 8 15.226 -17.279 -13.433 64 HE3 TRP 8 HE3 TRP 8 11.729 -14.172 -16.035 65 HZ2 TRP 8 HZ2 TRP 8 14.438 -18.356 -15.915 66 HZ3 TRP 8 HZ3 TRP 8 11.652 -15.793 -17.884 67 HH2 TRP 8 HH2 TRP 8 12.980 -17.841 -17.824 68 H PHE 9 HN PHE 9 11.032 -15.790 -13.567 69 HA PHE 9 HA PHE 9 10.456 -16.396 -10.778 70 HB2 PHE 9 HB2 PHE 9 8.492 -17.740 -11.323 71 HB3 PHE 9 HB1 PHE 9 8.251 -16.077 -11.835 72 HD1 PHE 9 HD1 PHE 9 8.922 -15.621 -14.375 73 HD2 PHE 9 HD2 PHE 9 7.890 -19.419 -12.750 74 HE1 PHE 9 HE1 PHE 9 8.323 -16.418 -16.624 75 HE2 PHE 9 HE2 PHE 9 7.294 -20.221 -14.998 76 HZ PHE 9 HZ PHE 9 7.511 -18.721 -16.938 77 H ASN 10 HN ASN 10 11.992 -17.807 -10.265 78 HA ASN 10 HA ASN 10 13.084 -19.546 -12.288 79 HB2 ASN 10 HB2 ASN 10 14.646 -20.295 -10.515 80 HB3 ASN 10 HB1 ASN 10 14.652 -18.553 -10.744 81 HD21 ASN 10 HD21 ASN 10 14.292 -21.094 -8.560 82 HD22 ASN 10 HD22 ASN 10 13.833 -20.160 -7.176 83 H ALA 11 HN ALA 11 11.270 -20.716 -12.809 84 HA ALA 11 HA ALA 11 9.703 -22.184 -10.979 85 HB1 ALA 11 HB1 ALA 11 8.936 -21.559 -13.229 86 HB2 ALA 11 HB2 ALA 11 8.767 -23.287 -12.924 87 HB3 ALA 11 HB3 ALA 11 10.091 -22.695 -13.926 88 H GLU 12 HN GLU 12 12.792 -22.727 -12.281 89 HA GLU 12 HA GLU 12 13.034 -25.493 -12.308 90 HB2 GLU 12 HB2 GLU 12 14.745 -23.944 -13.136 91 HB3 GLU 12 HB1 GLU 12 15.077 -23.417 -11.494 92 HG2 GLU 12 HG2 GLU 12 16.771 -24.961 -12.299 93 HG3 GLU 12 HG1 GLU 12 15.893 -25.633 -10.927 94 H LYS 13 HN LYS 13 12.997 -23.258 -9.601 95 HA LYS 13 HA LYS 13 13.021 -25.598 -7.821 96 HB2 LYS 13 HB2 LYS 13 14.352 -22.928 -7.425 97 HB3 LYS 13 HB1 LYS 13 13.989 -23.997 -6.075 98 HG2 LYS 13 HG2 LYS 13 15.666 -24.760 -8.460 99 HG3 LYS 13 HG1 LYS 13 16.301 -24.228 -6.899 100 HD2 LYS 13 HD2 LYS 13 15.537 -26.143 -5.801 101 HD3 LYS 13 HD1 LYS 13 14.394 -26.537 -7.085 102 HE2 LYS 13 HE2 LYS 13 17.390 -26.619 -7.399 103 HE3 LYS 13 HE1 LYS 13 16.399 -28.021 -6.996 104 HZ1 LYS 13 HZ1 LYS 13 16.852 -27.928 -9.365 105 HZ2 LYS 13 HZ2 LYS 13 16.162 -26.386 -9.462 106 HZ3 LYS 13 HZ3 LYS 13 15.194 -27.718 -9.074 107 H GLY 14 HN GLY 14 11.162 -23.210 -9.050 108 HA2 GLY 14 HA2 GLY 14 8.916 -22.884 -8.570 109 HA3 GLY 14 HA1 GLY 14 9.138 -23.769 -7.069 110 H PHE 15 HN PHE 15 10.842 -20.883 -8.225 111 HA PHE 15 HA PHE 15 9.501 -19.305 -6.149 112 HB2 PHE 15 HB2 PHE 15 12.499 -19.454 -6.562 113 HB3 PHE 15 HB1 PHE 15 11.694 -18.242 -5.573 114 HD1 PHE 15 HD1 PHE 15 10.397 -19.007 -3.555 115 HD2 PHE 15 HD2 PHE 15 13.041 -21.555 -5.704 116 HE1 PHE 15 HE1 PHE 15 10.519 -20.512 -1.614 117 HE2 PHE 15 HE2 PHE 15 13.162 -23.068 -3.769 118 HZ PHE 15 HZ PHE 15 11.900 -22.546 -1.721 119 H GLY 16 HN GLY 16 10.538 -16.902 -6.481 120 HA2 GLY 16 HA2 GLY 16 11.378 -16.273 -9.129 121 HA3 GLY 16 HA1 GLY 16 9.677 -15.887 -8.899 122 H PHE 17 HN PHE 17 11.139 -13.816 -9.507 123 HA PHE 17 HA PHE 17 11.496 -12.418 -6.940 124 HB2 PHE 17 HB2 PHE 17 12.931 -11.886 -9.554 125 HB3 PHE 17 HB1 PHE 17 13.107 -10.934 -8.086 126 HD1 PHE 17 HD2 PHE 17 14.254 -11.876 -6.131 127 HD2 PHE 17 HD1 PHE 17 14.050 -13.971 -9.830 128 HE1 PHE 17 HE2 PHE 17 16.083 -13.349 -5.396 129 HE2 PHE 17 HE1 PHE 17 15.877 -15.447 -9.101 130 HZ PHE 17 HZ PHE 17 16.896 -15.137 -6.881 131 H ILE 18 HN ILE 18 10.272 -10.676 -6.651 132 HA ILE 18 HA ILE 18 8.760 -9.652 -8.962 133 HB ILE 18 HB ILE 18 7.999 -9.416 -6.043 134 HG12 ILE 18 HG12 ILE 18 6.921 -11.249 -8.197 135 HG13 ILE 18 HG11 ILE 18 7.851 -11.744 -6.786 136 HG21 ILE 18 HG21 ILE 18 7.144 -7.600 -7.427 137 HG22 ILE 18 HG22 ILE 18 5.831 -8.668 -6.927 138 HG23 ILE 18 HG23 ILE 18 6.474 -8.767 -8.567 139 HD11 ILE 18 HD11 ILE 18 5.104 -10.509 -6.758 140 HD12 ILE 18 HD12 ILE 18 6.036 -10.966 -5.331 141 HD13 ILE 18 HD13 ILE 18 5.497 -12.203 -6.466 142 H GLU 19 HN GLU 19 8.676 -7.465 -9.303 143 HA GLU 19 HA GLU 19 10.715 -5.906 -7.890 144 HB2 GLU 19 HB2 GLU 19 11.026 -6.003 -10.271 145 HB3 GLU 19 HB1 GLU 19 9.346 -5.583 -10.564 146 HG2 GLU 19 HG2 GLU 19 9.711 -3.346 -9.784 147 HG3 GLU 19 HG1 GLU 19 11.353 -3.749 -9.278 148 H ARG 20 HN ARG 20 9.986 -4.643 -6.318 149 HA ARG 20 HA ARG 20 7.313 -3.446 -6.581 150 HB2 ARG 20 HB2 ARG 20 7.357 -3.081 -4.173 151 HB3 ARG 20 HB1 ARG 20 7.671 -4.775 -4.516 152 HG2 ARG 20 HG2 ARG 20 10.016 -4.481 -4.098 153 HG3 ARG 20 HG1 ARG 20 9.801 -2.740 -3.912 154 HD2 ARG 20 HD2 ARG 20 8.388 -3.126 -1.951 155 HD3 ARG 20 HD1 ARG 20 8.606 -4.867 -2.137 156 HE ARG 20 HE ARG 20 11.121 -4.129 -1.925 157 HH11 ARG 20 HH11 ARG 20 8.377 -2.902 -0.109 158 HH12 ARG 20 HH12 ARG 20 9.312 -2.623 1.335 159 HH21 ARG 20 HH21 ARG 20 12.340 -3.727 -0.018 160 HH22 ARG 20 HH22 ARG 20 11.542 -3.083 1.382 161 H GLU 21 HN GLU 21 7.525 -1.232 -5.047 162 HA GLU 21 HA GLU 21 8.889 0.506 -6.809 163 HB2 GLU 21 HB2 GLU 21 6.835 1.114 -5.571 164 HB3 GLU 21 HB1 GLU 21 7.760 1.116 -4.076 165 HG2 GLU 21 HG2 GLU 21 9.076 2.964 -4.804 166 HG3 GLU 21 HG1 GLU 21 8.388 2.882 -6.426 167 H ASN 22 HN ASN 22 9.605 -0.590 -3.498 168 HA ASN 22 HA ASN 22 12.076 0.979 -3.552 169 HB2 ASN 22 HB2 ASN 22 10.706 -0.508 -1.309 170 HB3 ASN 22 HB1 ASN 22 12.250 0.315 -1.137 171 HD21 ASN 22 HD21 ASN 22 11.648 1.840 0.285 172 HD22 ASN 22 HD22 ASN 22 10.480 3.083 -0.050 173 H GLY 23 HN GLY 23 11.601 -1.752 -4.966 174 HA2 GLY 23 HA2 GLY 23 14.194 -2.638 -4.934 175 HA3 GLY 23 HA1 GLY 23 13.434 -3.504 -3.612 176 H ASP 24 HN ASP 24 14.541 -4.186 -6.371 177 HA ASP 24 HA ASP 24 12.212 -5.738 -7.287 178 HB2 ASP 24 HB2 ASP 24 13.318 -5.809 -9.509 179 HB3 ASP 24 HB1 ASP 24 12.906 -4.177 -9.004 180 H ASP 25 HN ASP 25 13.188 -6.941 -5.312 181 HA ASP 25 HA ASP 25 14.780 -9.156 -6.298 182 HB2 ASP 25 HB2 ASP 25 16.416 -7.402 -5.539 183 HB3 ASP 25 HB1 ASP 25 15.718 -7.511 -3.929 184 H VAL 26 HN VAL 26 12.063 -8.739 -5.368 185 HA VAL 26 HA VAL 26 11.973 -9.776 -2.649 186 HB VAL 26 HB VAL 26 9.683 -9.148 -4.525 187 HG11 VAL 26 HG11 VAL 26 8.311 -9.136 -2.492 188 HG12 VAL 26 HG12 VAL 26 9.719 -9.609 -1.541 189 HG13 VAL 26 HG13 VAL 26 9.066 -10.708 -2.754 190 HG21 VAL 26 HG21 VAL 26 10.972 -7.150 -4.088 191 HG22 VAL 26 HG22 VAL 26 10.944 -7.476 -2.355 192 HG23 VAL 26 HG23 VAL 26 9.449 -7.078 -3.201 193 H PHE 27 HN PHE 27 11.966 -11.863 -2.215 194 HA PHE 27 HA PHE 27 11.806 -13.834 -4.283 195 HB2 PHE 27 HB2 PHE 27 11.911 -14.117 -1.273 196 HB3 PHE 27 HB1 PHE 27 12.030 -15.459 -2.403 197 HD1 PHE 27 HD1 PHE 27 13.733 -12.507 -1.046 198 HD2 PHE 27 HD2 PHE 27 14.040 -15.875 -3.632 199 HE1 PHE 27 HE1 PHE 27 16.171 -12.201 -1.151 200 HE2 PHE 27 HE2 PHE 27 16.479 -15.572 -3.740 201 HZ PHE 27 HZ PHE 27 17.546 -13.734 -2.499 202 H VAL 28 HN VAL 28 9.894 -14.378 -5.177 203 HA VAL 28 HA VAL 28 7.558 -14.537 -3.413 204 HB VAL 28 HB VAL 28 7.258 -13.272 -5.515 205 HG11 VAL 28 HG11 VAL 28 8.743 -14.525 -6.974 206 HG12 VAL 28 HG12 VAL 28 7.116 -14.443 -7.654 207 HG13 VAL 28 HG13 VAL 28 7.675 -15.926 -6.878 208 HG21 VAL 28 HG21 VAL 28 5.154 -14.337 -6.194 209 HG22 VAL 28 HG22 VAL 28 5.336 -14.296 -4.440 210 HG23 VAL 28 HG23 VAL 28 5.620 -15.798 -5.321 211 H HIS 29 HN HIS 29 6.502 -16.376 -3.004 212 HA HIS 29 HA HIS 29 7.522 -18.854 -4.198 213 HB2 HIS 29 HB2 HIS 29 7.011 -19.936 -1.931 214 HB3 HIS 29 HB1 HIS 29 8.446 -18.928 -2.021 215 HD1 HIS 29 HD1 HIS 29 8.707 -17.440 -0.064 216 HD2 HIS 29 HD2 HIS 29 4.701 -18.276 -0.844 217 HE1 HIS 29 HE1 HIS 29 7.398 -16.242 1.717 218 HE2 HIS 29 HE2 HIS 29 4.978 -16.751 1.232 219 H PHE 30 HN PHE 30 5.958 -20.550 -4.410 220 HA PHE 30 HA PHE 30 3.471 -19.561 -5.297 221 HB2 PHE 30 HB2 PHE 30 4.471 -22.375 -4.891 222 HB3 PHE 30 HB1 PHE 30 2.897 -22.007 -5.590 223 HD1 PHE 30 HD2 PHE 30 2.976 -20.283 -7.583 224 HD2 PHE 30 HD1 PHE 30 6.256 -22.679 -6.318 225 HE1 PHE 30 HE2 PHE 30 4.019 -20.015 -9.793 226 HE2 PHE 30 HE1 PHE 30 7.304 -22.410 -8.526 227 HZ PHE 30 HZ PHE 30 6.185 -21.077 -10.266 228 H SER 31 HN SER 31 4.468 -20.548 -2.190 229 HA SER 31 HA SER 31 1.946 -21.308 -1.133 230 HB2 SER 31 HB2 SER 31 4.238 -20.045 0.381 231 HB3 SER 31 HB1 SER 31 2.996 -21.127 1.013 232 HG SER 31 HG SER 31 4.082 -22.785 0.308 233 H ALA 32 HN ALA 32 2.916 -18.411 -2.389 234 HA ALA 32 HA ALA 32 1.127 -16.868 -0.625 235 HB1 ALA 32 HB1 ALA 32 2.356 -14.877 -1.301 236 HB2 ALA 32 HB2 ALA 32 3.383 -15.852 -2.353 237 HB3 ALA 32 HB3 ALA 32 3.448 -16.075 -0.604 238 H ILE 33 HN ILE 33 0.838 -18.522 -3.284 239 HA ILE 33 HA ILE 33 -0.167 -16.451 -5.060 240 HB ILE 33 HB ILE 33 -0.131 -19.452 -5.410 241 HG12 ILE 33 HG12 ILE 33 2.126 -18.520 -5.325 242 HG13 ILE 33 HG11 ILE 33 1.738 -19.033 -6.961 243 HG21 ILE 33 HG21 ILE 33 -0.599 -19.008 -7.767 244 HG22 ILE 33 HG22 ILE 33 -0.722 -17.284 -7.422 245 HG23 ILE 33 HG23 ILE 33 -1.894 -18.406 -6.733 246 HD11 ILE 33 HD11 ILE 33 2.927 -16.928 -6.970 247 HD12 ILE 33 HD12 ILE 33 1.691 -16.208 -5.939 248 HD13 ILE 33 HD13 ILE 33 1.284 -16.715 -7.578 249 H GLN 34 HN GLN 34 -2.254 -15.953 -5.364 250 HA GLN 34 HA GLN 34 -4.231 -17.029 -3.563 251 HB2 GLN 34 HB2 GLN 34 -5.718 -15.356 -4.492 252 HB3 GLN 34 HB1 GLN 34 -4.158 -14.616 -4.155 253 HG2 GLN 34 HG2 GLN 34 -3.576 -14.591 -6.457 254 HG3 GLN 34 HG1 GLN 34 -4.942 -15.621 -6.880 255 HE21 GLN 34 HE21 GLN 34 -4.226 -13.020 -7.921 256 HE22 GLN 34 HE22 GLN 34 -5.583 -11.982 -7.627 257 H GLY 35 HN GLY 35 -6.545 -17.254 -4.790 258 HA2 GLY 35 HA2 GLY 35 -6.298 -19.554 -6.494 259 HA3 GLY 35 HA1 GLY 35 -7.793 -18.753 -6.031 260 H ASP 36 HN ASP 36 -5.168 -18.835 -8.322 261 HA ASP 36 HA ASP 36 -6.759 -17.131 -10.131 262 HB2 ASP 36 HB2 ASP 36 -4.537 -16.164 -9.316 263 HB3 ASP 36 HB1 ASP 36 -3.748 -17.444 -10.226 264 H GLY 37 HN GLY 37 -6.640 -17.736 -12.405 265 HA2 GLY 37 HA2 GLY 37 -6.702 -20.540 -12.856 266 HA3 GLY 37 HA1 GLY 37 -6.732 -19.295 -14.098 267 H PHE 38 HN PHE 38 -4.218 -18.125 -13.093 268 HA PHE 38 HA PHE 38 -2.322 -20.198 -14.007 269 HB2 PHE 38 HB2 PHE 38 -2.660 -18.295 -15.601 270 HB3 PHE 38 HB1 PHE 38 -2.110 -17.192 -14.348 271 HD1 PHE 38 HD2 PHE 38 -0.666 -20.512 -15.133 272 HD2 PHE 38 HD1 PHE 38 -0.225 -16.289 -15.381 273 HE1 PHE 38 HE2 PHE 38 1.647 -20.804 -15.910 274 HE2 PHE 38 HE1 PHE 38 2.091 -16.575 -16.163 275 HZ PHE 38 HZ PHE 38 3.029 -18.834 -16.427 276 H LYS 39 HN LYS 39 -1.475 -20.952 -12.100 277 HA LYS 39 HA LYS 39 -1.280 -19.156 -9.844 278 HB2 LYS 39 HB2 LYS 39 -1.054 -21.001 -8.476 279 HB3 LYS 39 HB1 LYS 39 -2.016 -21.644 -9.793 280 HG2 LYS 39 HG2 LYS 39 0.966 -21.977 -9.576 281 HG3 LYS 39 HG1 LYS 39 -0.207 -23.143 -8.970 282 HD2 LYS 39 HD2 LYS 39 -1.109 -23.346 -11.278 283 HD3 LYS 39 HD1 LYS 39 0.187 -22.283 -11.834 284 HE2 LYS 39 HE2 LYS 39 1.837 -23.893 -10.947 285 HE3 LYS 39 HE1 LYS 39 0.515 -24.964 -10.491 286 HZ1 LYS 39 HZ1 LYS 39 1.251 -24.125 -13.242 287 HZ2 LYS 39 HZ2 LYS 39 -0.129 -25.033 -12.861 288 HZ3 LYS 39 HZ3 LYS 39 1.417 -25.675 -12.568 289 H SER 40 HN SER 40 0.675 -19.701 -12.382 290 HA SER 40 HA SER 40 3.105 -19.147 -10.836 291 HB2 SER 40 HB2 SER 40 2.827 -19.869 -13.769 292 HB3 SER 40 HB1 SER 40 4.345 -19.655 -12.892 293 HG SER 40 HG SER 40 3.182 -21.367 -11.446 294 H LEU 41 HN LEU 41 4.474 -17.354 -11.644 295 HA LEU 41 HA LEU 41 2.737 -15.178 -12.583 296 HB2 LEU 41 HB2 LEU 41 5.305 -15.027 -11.003 297 HB3 LEU 41 HB1 LEU 41 4.310 -13.662 -11.468 298 HG LEU 41 HG LEU 41 3.498 -15.871 -9.574 299 HD11 LEU 41 HD11 LEU 41 5.164 -14.368 -8.622 300 HD12 LEU 41 HD12 LEU 41 3.589 -14.138 -7.861 301 HD13 LEU 41 HD13 LEU 41 4.169 -12.978 -9.057 302 HD21 LEU 41 HD21 LEU 41 1.525 -14.469 -9.136 303 HD22 LEU 41 HD22 LEU 41 1.577 -15.043 -10.803 304 HD23 LEU 41 HD23 LEU 41 2.028 -13.379 -10.429 305 H ASP 42 HN ASP 42 3.163 -14.237 -14.498 306 HA ASP 42 HA ASP 42 5.663 -14.965 -15.834 307 HB2 ASP 42 HB2 ASP 42 4.590 -14.338 -17.926 308 HB3 ASP 42 HB1 ASP 42 3.591 -15.493 -17.056 309 H GLU 43 HN GLU 43 6.999 -13.472 -16.771 310 HA GLU 43 HA GLU 43 7.368 -11.113 -15.264 311 HB2 GLU 43 HB2 GLU 43 8.614 -11.421 -17.964 312 HB3 GLU 43 HB1 GLU 43 9.315 -10.791 -16.482 313 HG2 GLU 43 HG2 GLU 43 10.426 -12.758 -16.602 314 HG3 GLU 43 HG1 GLU 43 9.008 -13.299 -15.703 315 H GLY 44 HN GLY 44 6.413 -9.213 -15.468 316 HA2 GLY 44 HA2 GLY 44 6.041 -7.330 -17.004 317 HA3 GLY 44 HA1 GLY 44 5.353 -8.491 -18.126 318 H GLN 45 HN GLN 45 3.977 -9.827 -15.695 319 HA GLN 45 HA GLN 45 1.635 -8.141 -15.915 320 HB2 GLN 45 HB2 GLN 45 0.404 -9.849 -14.803 321 HB3 GLN 45 HB1 GLN 45 1.476 -10.639 -15.946 322 HG2 GLN 45 HG2 GLN 45 2.954 -11.308 -14.188 323 HG3 GLN 45 HG1 GLN 45 2.044 -10.365 -13.007 324 HE21 GLN 45 HE21 GLN 45 2.644 -13.199 -13.030 325 HE22 GLN 45 HE22 GLN 45 1.125 -14.025 -12.992 326 H ALA 46 HN ALA 46 0.714 -6.905 -14.378 327 HA ALA 46 HA ALA 46 2.435 -6.078 -12.202 328 HB1 ALA 46 HB1 ALA 46 1.335 -4.399 -13.608 329 HB2 ALA 46 HB2 ALA 46 0.861 -4.243 -11.917 330 HB3 ALA 46 HB3 ALA 46 -0.239 -4.990 -13.075 331 H VAL 47 HN VAL 47 2.099 -6.444 -10.084 332 HA VAL 47 HA VAL 47 -0.424 -7.679 -9.250 333 HB VAL 47 HB VAL 47 0.827 -9.326 -7.850 334 HG11 VAL 47 HG11 VAL 47 1.277 -10.899 -9.656 335 HG12 VAL 47 HG12 VAL 47 1.280 -9.576 -10.821 336 HG13 VAL 47 HG13 VAL 47 -0.204 -9.993 -9.965 337 HG21 VAL 47 HG21 VAL 47 3.154 -9.851 -8.464 338 HG22 VAL 47 HG22 VAL 47 2.992 -8.237 -7.775 339 HG23 VAL 47 HG23 VAL 47 3.180 -8.437 -9.517 340 H THR 48 HN THR 48 -1.014 -7.312 -7.152 341 HA THR 48 HA THR 48 0.751 -5.595 -5.530 342 HB THR 48 HB THR 48 -2.209 -6.108 -5.123 343 HG1 THR 48 HG1 THR 48 -0.961 -4.573 -6.959 344 HG21 THR 48 HG21 THR 48 -0.379 -3.964 -4.035 345 HG22 THR 48 HG22 THR 48 -1.008 -5.340 -3.127 346 HG23 THR 48 HG23 THR 48 -2.111 -4.099 -3.725 347 H PHE 49 HN PHE 49 1.454 -6.433 -3.567 348 HA PHE 49 HA PHE 49 0.424 -9.018 -2.710 349 HB2 PHE 49 HB2 PHE 49 2.650 -10.091 -2.849 350 HB3 PHE 49 HB1 PHE 49 2.043 -9.639 -4.440 351 HD1 PHE 49 HD2 PHE 49 2.944 -7.556 -5.530 352 HD2 PHE 49 HD1 PHE 49 4.695 -9.264 -2.047 353 HE1 PHE 49 HE2 PHE 49 5.014 -6.297 -5.958 354 HE2 PHE 49 HE1 PHE 49 6.768 -8.009 -2.469 355 HZ PHE 49 HZ PHE 49 6.929 -6.523 -4.427 356 H ASP 50 HN ASP 50 1.178 -9.615 -0.597 357 HA ASP 50 HA ASP 50 2.064 -7.258 0.888 358 HB2 ASP 50 HB2 ASP 50 0.240 -8.761 1.771 359 HB3 ASP 50 HB1 ASP 50 1.477 -9.986 2.039 360 H VAL 51 HN VAL 51 3.824 -7.508 2.516 361 HA VAL 51 HA VAL 51 5.974 -9.123 1.330 362 HB VAL 51 HB VAL 51 6.340 -6.803 0.729 363 HG11 VAL 51 HG11 VAL 51 6.267 -6.214 3.687 364 HG12 VAL 51 HG12 VAL 51 5.077 -5.704 2.487 365 HG13 VAL 51 HG13 VAL 51 6.723 -5.068 2.423 366 HG21 VAL 51 HG21 VAL 51 8.234 -7.724 2.888 367 HG22 VAL 51 HG22 VAL 51 8.581 -6.482 1.683 368 HG23 VAL 51 HG23 VAL 51 8.303 -8.149 1.176 369 H GLU 52 HN GLU 52 6.833 -10.533 2.643 370 HA GLU 52 HA GLU 52 6.533 -10.217 5.536 371 HB2 GLU 52 HB2 GLU 52 7.638 -12.528 3.921 372 HB3 GLU 52 HB1 GLU 52 7.390 -12.523 5.659 373 HG2 GLU 52 HG2 GLU 52 4.991 -12.322 5.331 374 HG3 GLU 52 HG1 GLU 52 5.230 -12.288 3.582 375 H GLU 53 HN GLU 53 8.170 -9.401 6.714 376 HA GLU 53 HA GLU 53 10.569 -8.546 5.548 377 HB2 GLU 53 HB2 GLU 53 9.918 -9.053 8.454 378 HB3 GLU 53 HB1 GLU 53 11.386 -8.262 7.894 379 HG2 GLU 53 HG2 GLU 53 9.741 -6.664 6.676 380 HG3 GLU 53 HG1 GLU 53 8.571 -7.287 7.839 381 H GLY 54 HN GLY 54 12.474 -9.491 5.199 382 HA2 GLY 54 HA2 GLY 54 12.387 -12.361 5.194 383 HA3 GLY 54 HA1 GLY 54 13.636 -11.352 4.484 384 H GLN 55 HN GLN 55 13.844 -13.776 6.070 385 HA GLN 55 HA GLN 55 15.121 -13.068 8.527 386 HB2 GLN 55 HB2 GLN 55 15.956 -15.383 8.475 387 HB3 GLN 55 HB1 GLN 55 14.233 -15.326 8.125 388 HG2 GLN 55 HG2 GLN 55 14.935 -15.335 5.662 389 HG3 GLN 55 HG1 GLN 55 16.513 -15.848 6.255 390 HE21 GLN 55 HE21 GLN 55 14.647 -17.266 4.567 391 HE22 GLN 55 HE22 GLN 55 14.262 -18.742 5.384 392 H ARG 56 HN ARG 56 15.899 -13.061 5.232 393 HA ARG 56 HA ARG 56 18.437 -11.766 5.720 394 HB2 ARG 56 HB2 ARG 56 18.165 -14.343 4.185 395 HB3 ARG 56 HB1 ARG 56 19.434 -13.192 3.797 396 HG2 ARG 56 HG2 ARG 56 20.239 -13.366 6.135 397 HG3 ARG 56 HG1 ARG 56 19.025 -14.618 6.416 398 HD2 ARG 56 HD2 ARG 56 21.344 -15.447 5.856 399 HD3 ARG 56 HD1 ARG 56 20.038 -16.082 4.853 400 HE ARG 56 HE ARG 56 20.717 -14.484 3.132 401 HH11 ARG 56 HH11 ARG 56 23.022 -15.194 5.680 402 HH12 ARG 56 HH12 ARG 56 24.394 -14.673 4.745 403 HH21 ARG 56 HH21 ARG 56 22.512 -13.827 1.907 404 HH22 ARG 56 HH22 ARG 56 24.106 -13.914 2.593 405 H GLY 57 HN GLY 57 16.411 -13.186 3.176 406 HA2 GLY 57 HA2 GLY 57 16.348 -10.548 1.856 407 HA3 GLY 57 HA1 GLY 57 16.214 -12.079 0.997 408 HA PRO 58 HA PRO 58 12.043 -10.400 2.805 409 HB2 PRO 58 HB2 PRO 58 11.633 -8.788 0.393 410 HB3 PRO 58 HB1 PRO 58 11.486 -8.321 2.089 411 HG2 PRO 58 HG2 PRO 58 13.488 -7.425 0.521 412 HG3 PRO 58 HG1 PRO 58 13.702 -7.722 2.255 413 HD2 PRO 58 HD2 PRO 58 14.509 -9.425 -0.074 414 HD3 PRO 58 HD1 PRO 58 15.400 -9.063 1.421 415 H GLN 59 HN GLN 59 10.255 -11.556 2.334 416 HA GLN 59 HA GLN 59 10.108 -12.786 -0.336 417 HB2 GLN 59 HB2 GLN 59 9.106 -14.775 0.715 418 HB3 GLN 59 HB1 GLN 59 10.737 -14.472 1.293 419 HG2 GLN 59 HG2 GLN 59 9.764 -13.416 3.315 420 HG3 GLN 59 HG1 GLN 59 8.166 -13.892 2.741 421 HE21 GLN 59 HE21 GLN 59 7.755 -15.225 4.474 422 HE22 GLN 59 HE22 GLN 59 8.577 -16.731 4.718 423 H ALA 60 HN ALA 60 7.986 -13.233 -1.138 424 HA ALA 60 HA ALA 60 6.156 -11.102 -0.364 425 HB1 ALA 60 HB1 ALA 60 6.797 -11.342 -2.717 426 HB2 ALA 60 HB2 ALA 60 5.059 -11.533 -2.490 427 HB3 ALA 60 HB3 ALA 60 6.075 -12.952 -2.743 428 H ALA 61 HN ALA 61 4.104 -11.362 0.308 429 HA ALA 61 HA ALA 61 3.084 -14.103 0.700 430 HB1 ALA 61 HB1 ALA 61 1.909 -13.270 2.705 431 HB2 ALA 61 HB2 ALA 61 2.696 -11.706 2.498 432 HB3 ALA 61 HB3 ALA 61 3.659 -13.137 2.857 433 H ASN 62 HN ASN 62 0.768 -14.287 0.540 434 HA ASN 62 HA ASN 62 -0.743 -14.208 -1.222 435 HB2 ASN 62 HB2 ASN 62 -2.585 -12.631 -0.537 436 HB3 ASN 62 HB1 ASN 62 -2.048 -13.793 0.659 437 HD21 ASN 62 HD21 ASN 62 -0.427 -10.768 -0.144 438 HD22 ASN 62 HD22 ASN 62 -0.705 -10.022 1.395 439 H VAL 63 HN VAL 63 -0.256 -13.817 -3.188 440 HA VAL 63 HA VAL 63 0.296 -11.089 -4.083 441 HB VAL 63 HB VAL 63 0.532 -13.690 -5.608 442 HG11 VAL 63 HG11 VAL 63 1.825 -12.397 -7.220 443 HG12 VAL 63 HG12 VAL 63 1.545 -10.930 -6.282 444 HG13 VAL 63 HG13 VAL 63 0.191 -11.752 -7.059 445 HG21 VAL 63 HG21 VAL 63 2.666 -12.033 -4.268 446 HG22 VAL 63 HG22 VAL 63 2.950 -13.444 -5.287 447 HG23 VAL 63 HG23 VAL 63 2.102 -13.622 -3.751 448 H GLN 64 HN GLN 64 -1.407 -9.966 -4.608 449 HA GLN 64 HA GLN 64 -3.714 -11.217 -5.919 450 HB2 GLN 64 HB2 GLN 64 -4.174 -9.903 -3.907 451 HB3 GLN 64 HB1 GLN 64 -3.347 -8.517 -4.597 452 HG2 GLN 64 HG2 GLN 64 -5.059 -8.347 -6.324 453 HG3 GLN 64 HG1 GLN 64 -5.886 -9.747 -5.642 454 HE21 GLN 64 HE21 GLN 64 -7.751 -8.546 -5.272 455 HE22 GLN 64 HE22 GLN 64 -7.856 -7.395 -3.979 456 H LYS 65 HN LYS 65 -4.612 -10.151 -7.830 457 HA LYS 65 HA LYS 65 -2.488 -9.292 -9.597 458 HB2 LYS 65 HB2 LYS 65 -4.493 -10.866 -10.133 459 HB3 LYS 65 HB1 LYS 65 -5.405 -9.376 -10.324 460 HG2 LYS 65 HG2 LYS 65 -4.645 -10.125 -12.471 461 HG3 LYS 65 HG1 LYS 65 -3.788 -8.644 -12.039 462 HD2 LYS 65 HD2 LYS 65 -2.284 -10.317 -13.027 463 HD3 LYS 65 HD1 LYS 65 -1.845 -9.939 -11.364 464 HE2 LYS 65 HE2 LYS 65 -1.733 -12.357 -11.853 465 HE3 LYS 65 HE1 LYS 65 -2.884 -11.970 -10.576 466 HZ1 LYS 65 HZ1 LYS 65 -4.671 -12.120 -12.239 467 HZ2 LYS 65 HZ2 LYS 65 -3.837 -13.581 -12.061 468 HZ3 LYS 65 HZ3 LYS 65 -3.539 -12.593 -13.413 469 H ALA 66 HN ALA 66 -2.078 -7.237 -10.226 470 HA ALA 66 HA ALA 66 -3.654 -5.132 -8.953 471 HB1 ALA 66 HB1 ALA 66 -1.025 -4.931 -10.421 472 HB2 ALA 66 HB2 ALA 66 -1.208 -5.108 -8.677 473 HB3 ALA 66 HB3 ALA 66 -1.801 -3.656 -9.483 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 2.661 -2.119 3.820 2 H2 MET 1 HT2 MET 1 3.728 -3.432 3.869 3 H3 MET 1 HT3 MET 1 2.143 -3.612 4.446 4 HA MET 1 HA MET 1 2.408 -4.648 2.297 5 HB2 MET 1 HB2 MET 1 0.520 -3.580 1.165 6 HB3 MET 1 HB1 MET 1 0.223 -3.706 2.893 7 HG2 MET 1 HG2 MET 1 0.852 -1.347 3.153 8 HG3 MET 1 HG1 MET 1 1.087 -1.236 1.408 9 HE1 MET 1 HE1 MET 1 -0.584 0.865 1.418 10 HE2 MET 1 HE2 MET 1 -0.819 0.674 3.153 11 HE3 MET 1 HE3 MET 1 -2.216 0.799 2.084 12 H GLU 2 HN GLU 2 2.499 -4.213 -0.074 13 HA GLU 2 HA GLU 2 4.291 -2.022 -0.802 14 HB2 GLU 2 HB2 GLU 2 5.568 -4.104 0.014 15 HB3 GLU 2 HB1 GLU 2 4.978 -4.892 -1.439 16 HG2 GLU 2 HG2 GLU 2 7.073 -4.187 -2.057 17 HG3 GLU 2 HG1 GLU 2 6.045 -2.891 -2.669 18 H GLN 3 HN GLN 3 4.763 -2.218 -3.243 19 HA GLN 3 HA GLN 3 2.816 -3.760 -4.756 20 HB2 GLN 3 HB2 GLN 3 1.891 -1.410 -4.321 21 HB3 GLN 3 HB1 GLN 3 3.202 -0.811 -5.323 22 HG2 GLN 3 HG2 GLN 3 1.290 -2.879 -6.341 23 HG3 GLN 3 HG1 GLN 3 0.895 -1.164 -6.388 24 HE21 GLN 3 HE21 GLN 3 1.319 -3.099 -8.552 25 HE22 GLN 3 HE22 GLN 3 2.563 -2.424 -9.542 26 H GLY 4 HN GLY 4 3.679 -4.414 -6.766 27 HA2 GLY 4 HA2 GLY 4 6.041 -3.187 -7.813 28 HA3 GLY 4 HA1 GLY 4 6.413 -4.668 -6.950 29 H THR 5 HN THR 5 7.176 -5.619 -8.821 30 HA THR 5 HA THR 5 5.102 -6.646 -10.610 31 HB THR 5 HB THR 5 7.661 -5.338 -11.572 32 HG1 THR 5 HG1 THR 5 5.251 -4.316 -11.016 33 HG21 THR 5 HG21 THR 5 6.816 -5.730 -13.825 34 HG22 THR 5 HG22 THR 5 5.402 -6.550 -13.166 35 HG23 THR 5 HG23 THR 5 7.004 -7.258 -12.964 36 H VAL 6 HN VAL 6 5.564 -8.696 -11.429 37 HA VAL 6 HA VAL 6 7.547 -10.223 -10.038 38 HB VAL 6 HB VAL 6 5.869 -11.035 -12.424 39 HG11 VAL 6 HG11 VAL 6 7.379 -12.696 -10.409 40 HG12 VAL 6 HG12 VAL 6 7.780 -12.492 -12.115 41 HG13 VAL 6 HG13 VAL 6 6.299 -13.328 -11.651 42 HG21 VAL 6 HG21 VAL 6 4.435 -10.353 -10.597 43 HG22 VAL 6 HG22 VAL 6 5.341 -11.361 -9.470 44 HG23 VAL 6 HG23 VAL 6 4.395 -12.107 -10.758 45 H LYS 7 HN LYS 7 9.625 -10.204 -10.540 46 HA LYS 7 HA LYS 7 10.579 -9.068 -12.989 47 HB2 LYS 7 HB2 LYS 7 11.766 -8.779 -10.833 48 HB3 LYS 7 HB1 LYS 7 12.102 -10.504 -10.801 49 HG2 LYS 7 HG2 LYS 7 13.354 -10.212 -12.949 50 HG3 LYS 7 HG1 LYS 7 13.153 -8.470 -12.753 51 HD2 LYS 7 HD2 LYS 7 14.501 -10.302 -10.770 52 HD3 LYS 7 HD1 LYS 7 15.342 -9.288 -11.941 53 HE2 LYS 7 HE2 LYS 7 13.493 -8.263 -9.791 54 HE3 LYS 7 HE1 LYS 7 15.249 -8.319 -9.658 55 HZ1 LYS 7 HZ1 LYS 7 14.755 -6.156 -10.328 56 HZ2 LYS 7 HZ2 LYS 7 13.595 -6.654 -11.467 57 HZ3 LYS 7 HZ3 LYS 7 15.246 -6.922 -11.760 58 H TRP 8 HN TRP 8 10.653 -12.304 -11.526 59 HA TRP 8 HA TRP 8 10.440 -13.613 -14.046 60 HB2 TRP 8 HB2 TRP 8 12.884 -12.867 -13.982 61 HB3 TRP 8 HB1 TRP 8 13.096 -13.994 -12.646 62 HD1 TRP 8 HD1 TRP 8 11.559 -14.280 -16.210 63 HE1 TRP 8 HE1 TRP 8 12.438 -16.451 -17.281 64 HE3 TRP 8 HE3 TRP 8 14.475 -15.940 -12.361 65 HZ2 TRP 8 HZ2 TRP 8 14.149 -18.586 -16.575 66 HZ3 TRP 8 HZ3 TRP 8 15.704 -18.052 -12.636 67 HH2 TRP 8 HH2 TRP 8 15.544 -19.348 -14.701 68 H PHE 9 HN PHE 9 10.816 -16.087 -13.666 69 HA PHE 9 HA PHE 9 10.204 -16.827 -10.913 70 HB2 PHE 9 HB2 PHE 9 8.289 -18.249 -11.693 71 HB3 PHE 9 HB1 PHE 9 8.005 -16.519 -11.813 72 HD1 PHE 9 HD1 PHE 9 8.368 -15.434 -14.128 73 HD2 PHE 9 HD2 PHE 9 7.939 -19.627 -13.526 74 HE1 PHE 9 HE1 PHE 9 7.738 -15.706 -16.491 75 HE2 PHE 9 HE2 PHE 9 7.313 -19.907 -15.888 76 HZ PHE 9 HZ PHE 9 7.212 -17.946 -17.376 77 H ASN 10 HN ASN 10 11.939 -18.074 -10.552 78 HA ASN 10 HA ASN 10 12.957 -19.836 -12.580 79 HB2 ASN 10 HB2 ASN 10 14.546 -20.568 -10.757 80 HB3 ASN 10 HB1 ASN 10 14.603 -18.861 -11.177 81 HD21 ASN 10 HD21 ASN 10 14.084 -21.149 -8.710 82 HD22 ASN 10 HD22 ASN 10 13.736 -20.037 -7.438 83 H ALA 11 HN ALA 11 11.152 -21.108 -13.002 84 HA ALA 11 HA ALA 11 9.742 -22.623 -11.104 85 HB1 ALA 11 HB1 ALA 11 8.903 -22.147 -13.360 86 HB2 ALA 11 HB2 ALA 11 8.866 -23.871 -12.992 87 HB3 ALA 11 HB3 ALA 11 10.130 -23.220 -14.034 88 H GLU 12 HN GLU 12 12.826 -23.093 -12.523 89 HA GLU 12 HA GLU 12 13.278 -25.814 -12.306 90 HB2 GLU 12 HB2 GLU 12 14.946 -24.355 -13.246 91 HB3 GLU 12 HB1 GLU 12 15.088 -23.458 -11.741 92 HG2 GLU 12 HG2 GLU 12 15.934 -25.590 -10.693 93 HG3 GLU 12 HG1 GLU 12 16.023 -26.253 -12.324 94 H LYS 13 HN LYS 13 13.327 -23.326 -9.817 95 HA LYS 13 HA LYS 13 13.845 -25.374 -7.777 96 HB2 LYS 13 HB2 LYS 13 14.123 -22.367 -7.615 97 HB3 LYS 13 HB1 LYS 13 14.507 -23.500 -6.325 98 HG2 LYS 13 HG2 LYS 13 15.847 -23.544 -9.017 99 HG3 LYS 13 HG1 LYS 13 16.467 -22.646 -7.632 100 HD2 LYS 13 HD2 LYS 13 16.773 -24.642 -6.373 101 HD3 LYS 13 HD1 LYS 13 15.896 -25.600 -7.566 102 HE2 LYS 13 HE2 LYS 13 18.424 -25.785 -7.604 103 HE3 LYS 13 HE1 LYS 13 17.639 -25.428 -9.141 104 HZ1 LYS 13 HZ1 LYS 13 19.705 -24.095 -8.457 105 HZ2 LYS 13 HZ2 LYS 13 18.651 -23.236 -7.441 106 HZ3 LYS 13 HZ3 LYS 13 18.388 -23.263 -9.117 107 H GLY 14 HN GLY 14 11.404 -23.523 -9.125 108 HA2 GLY 14 HA2 GLY 14 9.151 -23.493 -8.565 109 HA3 GLY 14 HA1 GLY 14 9.546 -24.299 -7.051 110 H PHE 15 HN PHE 15 10.939 -21.320 -8.296 111 HA PHE 15 HA PHE 15 9.543 -19.783 -6.231 112 HB2 PHE 15 HB2 PHE 15 12.543 -19.953 -6.568 113 HB3 PHE 15 HB1 PHE 15 11.762 -18.603 -5.758 114 HD1 PHE 15 HD1 PHE 15 10.680 -18.912 -3.599 115 HD2 PHE 15 HD2 PHE 15 12.716 -22.107 -5.532 116 HE1 PHE 15 HE1 PHE 15 10.726 -20.158 -1.478 117 HE2 PHE 15 HE2 PHE 15 12.764 -23.363 -3.419 118 HZ PHE 15 HZ PHE 15 11.769 -22.388 -1.385 119 H GLY 16 HN GLY 16 10.464 -17.366 -6.551 120 HA2 GLY 16 HA2 GLY 16 11.227 -16.738 -9.256 121 HA3 GLY 16 HA1 GLY 16 9.579 -16.260 -8.859 122 H PHE 17 HN PHE 17 11.150 -14.252 -9.526 123 HA PHE 17 HA PHE 17 11.913 -13.045 -6.950 124 HB2 PHE 17 HB2 PHE 17 13.003 -12.345 -9.684 125 HB3 PHE 17 HB1 PHE 17 13.507 -11.645 -8.150 126 HD1 PHE 17 HD2 PHE 17 14.626 -13.152 -6.455 127 HD2 PHE 17 HD1 PHE 17 13.989 -14.280 -10.508 128 HE1 PHE 17 HE2 PHE 17 16.359 -14.888 -6.239 129 HE2 PHE 17 HE1 PHE 17 15.713 -16.018 -10.302 130 HZ PHE 17 HZ PHE 17 16.904 -16.325 -8.166 131 H ILE 18 HN ILE 18 10.895 -11.242 -6.370 132 HA ILE 18 HA ILE 18 9.221 -9.865 -8.371 133 HB ILE 18 HB ILE 18 8.786 -10.145 -5.390 134 HG12 ILE 18 HG12 ILE 18 7.166 -11.109 -7.758 135 HG13 ILE 18 HG11 ILE 18 8.141 -12.121 -6.696 136 HG21 ILE 18 HG21 ILE 18 8.172 -7.901 -6.115 137 HG22 ILE 18 HG22 ILE 18 6.733 -8.841 -5.719 138 HG23 ILE 18 HG23 ILE 18 7.176 -8.577 -7.405 139 HD11 ILE 18 HD11 ILE 18 5.800 -12.303 -6.136 140 HD12 ILE 18 HD12 ILE 18 5.691 -10.557 -5.915 141 HD13 ILE 18 HD13 ILE 18 6.680 -11.522 -4.822 142 H GLU 19 HN GLU 19 9.439 -7.679 -8.569 143 HA GLU 19 HA GLU 19 11.554 -6.473 -6.934 144 HB2 GLU 19 HB2 GLU 19 11.766 -4.833 -8.833 145 HB3 GLU 19 HB1 GLU 19 12.273 -6.477 -9.176 146 HG2 GLU 19 HG2 GLU 19 10.143 -6.876 -10.324 147 HG3 GLU 19 HG1 GLU 19 9.683 -5.200 -10.013 148 H ARG 20 HN ARG 20 11.059 -4.922 -5.602 149 HA ARG 20 HA ARG 20 8.373 -3.739 -5.716 150 HB2 ARG 20 HB2 ARG 20 10.389 -3.764 -3.458 151 HB3 ARG 20 HB1 ARG 20 8.747 -3.146 -3.371 152 HG2 ARG 20 HG2 ARG 20 7.831 -5.339 -3.599 153 HG3 ARG 20 HG1 ARG 20 9.423 -6.023 -3.943 154 HD2 ARG 20 HD2 ARG 20 8.681 -4.650 -1.362 155 HD3 ARG 20 HD1 ARG 20 8.635 -6.395 -1.607 156 HE ARG 20 HE ARG 20 11.081 -6.203 -2.086 157 HH11 ARG 20 HH11 ARG 20 9.487 -3.746 -0.142 158 HH12 ARG 20 HH12 ARG 20 10.918 -3.411 0.789 159 HH21 ARG 20 HH21 ARG 20 12.950 -5.713 -0.858 160 HH22 ARG 20 HH22 ARG 20 12.869 -4.490 0.371 161 H GLU 21 HN GLU 21 8.243 -1.436 -4.987 162 HA GLU 21 HA GLU 21 10.197 0.228 -6.270 163 HB2 GLU 21 HB2 GLU 21 7.904 0.956 -4.435 164 HB3 GLU 21 HB1 GLU 21 8.838 2.093 -5.399 165 HG2 GLU 21 HG2 GLU 21 7.051 -0.097 -6.428 166 HG3 GLU 21 HG1 GLU 21 6.744 1.640 -6.485 167 H ASN 22 HN ASN 22 9.992 -1.310 -3.331 168 HA ASN 22 HA ASN 22 11.787 0.589 -1.973 169 HB2 ASN 22 HB2 ASN 22 9.485 -0.159 -0.995 170 HB3 ASN 22 HB1 ASN 22 10.308 -1.668 -0.633 171 HD21 ASN 22 HD21 ASN 22 9.114 0.341 1.111 172 HD22 ASN 22 HD22 ASN 22 10.369 0.826 2.204 173 H GLY 23 HN GLY 23 12.321 -1.617 -4.011 174 HA2 GLY 23 HA2 GLY 23 14.720 -2.501 -3.723 175 HA3 GLY 23 HA1 GLY 23 14.012 -3.403 -2.390 176 H ASP 24 HN ASP 24 14.961 -3.680 -5.514 177 HA ASP 24 HA ASP 24 12.689 -5.254 -6.422 178 HB2 ASP 24 HB2 ASP 24 13.640 -5.171 -8.591 179 HB3 ASP 24 HB1 ASP 24 13.894 -3.581 -7.892 180 H ASP 25 HN ASP 25 13.498 -6.622 -4.383 181 HA ASP 25 HA ASP 25 14.578 -9.043 -5.524 182 HB2 ASP 25 HB2 ASP 25 16.625 -7.790 -4.860 183 HB3 ASP 25 HB1 ASP 25 16.029 -7.747 -3.205 184 H VAL 26 HN VAL 26 12.612 -9.967 -4.991 185 HA VAL 26 HA VAL 26 12.481 -10.779 -2.168 186 HB VAL 26 HB VAL 26 10.035 -10.075 -3.811 187 HG11 VAL 26 HG11 VAL 26 9.666 -11.956 -2.302 188 HG12 VAL 26 HG12 VAL 26 8.790 -10.530 -1.751 189 HG13 VAL 26 HG13 VAL 26 10.286 -11.010 -0.950 190 HG21 VAL 26 HG21 VAL 26 9.674 -8.280 -2.187 191 HG22 VAL 26 HG22 VAL 26 11.189 -8.066 -3.065 192 HG23 VAL 26 HG23 VAL 26 11.207 -8.676 -1.410 193 H PHE 27 HN PHE 27 12.133 -12.930 -1.892 194 HA PHE 27 HA PHE 27 11.996 -14.606 -4.258 195 HB2 PHE 27 HB2 PHE 27 12.204 -15.296 -1.315 196 HB3 PHE 27 HB1 PHE 27 12.211 -16.480 -2.616 197 HD1 PHE 27 HD2 PHE 27 14.104 -16.552 -4.199 198 HD2 PHE 27 HD1 PHE 27 14.135 -14.063 -0.749 199 HE1 PHE 27 HE2 PHE 27 16.546 -16.332 -4.386 200 HE2 PHE 27 HE1 PHE 27 16.578 -13.838 -0.929 201 HZ PHE 27 HZ PHE 27 17.786 -14.973 -2.749 202 H VAL 28 HN VAL 28 10.045 -14.956 -5.130 203 HA VAL 28 HA VAL 28 7.726 -15.101 -3.350 204 HB VAL 28 HB VAL 28 7.514 -13.643 -5.330 205 HG11 VAL 28 HG11 VAL 28 7.740 -16.187 -6.917 206 HG12 VAL 28 HG12 VAL 28 8.900 -14.860 -6.904 207 HG13 VAL 28 HG13 VAL 28 7.282 -14.612 -7.560 208 HG21 VAL 28 HG21 VAL 28 5.510 -14.619 -4.365 209 HG22 VAL 28 HG22 VAL 28 5.698 -16.046 -5.387 210 HG23 VAL 28 HG23 VAL 28 5.354 -14.476 -6.116 211 H HIS 29 HN HIS 29 6.508 -16.873 -3.095 212 HA HIS 29 HA HIS 29 7.266 -19.326 -4.533 213 HB2 HIS 29 HB2 HIS 29 8.127 -19.123 -2.111 214 HB3 HIS 29 HB1 HIS 29 6.444 -19.261 -1.622 215 HD1 HIS 29 HD1 HIS 29 8.761 -21.264 -3.906 216 HD2 HIS 29 HD2 HIS 29 5.889 -21.808 -0.951 217 HE1 HIS 29 HE1 HIS 29 8.624 -23.742 -3.547 218 HE2 HIS 29 HE2 HIS 29 7.032 -24.034 -1.621 219 H PHE 30 HN PHE 30 5.461 -20.869 -4.705 220 HA PHE 30 HA PHE 30 3.103 -19.506 -5.458 221 HB2 PHE 30 HB2 PHE 30 2.206 -21.798 -5.937 222 HB3 PHE 30 HB1 PHE 30 3.730 -21.418 -6.728 223 HD1 PHE 30 HD1 PHE 30 2.188 -23.320 -3.959 224 HD2 PHE 30 HD2 PHE 30 5.666 -22.698 -6.332 225 HE1 PHE 30 HE1 PHE 30 3.167 -25.391 -3.062 226 HE2 PHE 30 HE2 PHE 30 6.650 -24.768 -5.438 227 HZ PHE 30 HZ PHE 30 5.400 -26.118 -3.803 228 H SER 31 HN SER 31 4.000 -20.068 -2.429 229 HA SER 31 HA SER 31 1.560 -21.100 -1.323 230 HB2 SER 31 HB2 SER 31 2.799 -20.187 0.828 231 HB3 SER 31 HB1 SER 31 3.377 -21.638 0.008 232 HG SER 31 HG SER 31 4.730 -19.438 0.475 233 H ALA 32 HN ALA 32 2.724 -18.033 -2.322 234 HA ALA 32 HA ALA 32 0.825 -16.608 -0.599 235 HB1 ALA 32 HB1 ALA 32 3.038 -15.533 -2.341 236 HB2 ALA 32 HB2 ALA 32 3.115 -15.786 -0.596 237 HB3 ALA 32 HB3 ALA 32 2.015 -14.581 -1.265 238 H ILE 33 HN ILE 33 0.730 -18.032 -3.519 239 HA ILE 33 HA ILE 33 -0.770 -15.922 -4.873 240 HB ILE 33 HB ILE 33 0.337 -18.563 -5.824 241 HG12 ILE 33 HG12 ILE 33 1.361 -17.016 -7.569 242 HG13 ILE 33 HG11 ILE 33 0.804 -15.676 -6.578 243 HG21 ILE 33 HG21 ILE 33 -0.641 -18.111 -8.030 244 HG22 ILE 33 HG22 ILE 33 -1.528 -16.747 -7.345 245 HG23 ILE 33 HG23 ILE 33 -1.874 -18.390 -6.799 246 HD11 ILE 33 HD11 ILE 33 3.133 -16.136 -6.164 247 HD12 ILE 33 HD12 ILE 33 2.756 -17.807 -5.758 248 HD13 ILE 33 HD13 ILE 33 2.178 -16.501 -4.727 249 H GLN 34 HN GLN 34 -2.935 -16.093 -5.374 250 HA GLN 34 HA GLN 34 -4.388 -18.189 -3.904 251 HB2 GLN 34 HB2 GLN 34 -6.234 -16.674 -3.711 252 HB3 GLN 34 HB1 GLN 34 -4.786 -15.806 -3.226 253 HG2 GLN 34 HG2 GLN 34 -6.039 -15.602 -5.957 254 HG3 GLN 34 HG1 GLN 34 -6.376 -14.498 -4.627 255 HE21 GLN 34 HE21 GLN 34 -4.851 -12.993 -4.031 256 HE22 GLN 34 HE22 GLN 34 -3.431 -12.671 -4.981 257 H GLY 35 HN GLY 35 -6.845 -18.106 -5.041 258 HA2 GLY 35 HA2 GLY 35 -6.382 -19.283 -7.642 259 HA3 GLY 35 HA1 GLY 35 -7.922 -19.185 -6.794 260 H ASP 36 HN ASP 36 -5.669 -17.499 -8.846 261 HA ASP 36 HA ASP 36 -7.597 -15.360 -9.355 262 HB2 ASP 36 HB2 ASP 36 -5.376 -14.562 -9.044 263 HB3 ASP 36 HB1 ASP 36 -4.707 -15.791 -10.110 264 H GLY 37 HN GLY 37 -6.543 -18.313 -10.638 265 HA2 GLY 37 HA2 GLY 37 -7.849 -19.222 -12.539 266 HA3 GLY 37 HA1 GLY 37 -7.610 -17.655 -13.312 267 H PHE 38 HN PHE 38 -5.001 -17.168 -12.646 268 HA PHE 38 HA PHE 38 -3.520 -19.319 -13.993 269 HB2 PHE 38 HB2 PHE 38 -2.703 -16.441 -13.499 270 HB3 PHE 38 HB1 PHE 38 -1.780 -17.634 -14.404 271 HD1 PHE 38 HD1 PHE 38 -2.559 -18.395 -16.609 272 HD2 PHE 38 HD2 PHE 38 -4.547 -15.294 -14.476 273 HE1 PHE 38 HE1 PHE 38 -3.696 -17.701 -18.678 274 HE2 PHE 38 HE2 PHE 38 -5.690 -14.600 -16.542 275 HZ PHE 38 HZ PHE 38 -5.262 -15.802 -18.646 276 H LYS 39 HN LYS 39 -2.685 -20.696 -12.530 277 HA LYS 39 HA LYS 39 -1.934 -19.719 -9.903 278 HB2 LYS 39 HB2 LYS 39 -1.413 -22.170 -9.473 279 HB3 LYS 39 HB1 LYS 39 -3.090 -21.767 -9.797 280 HG2 LYS 39 HG2 LYS 39 -2.679 -23.746 -10.977 281 HG3 LYS 39 HG1 LYS 39 -2.654 -22.469 -12.191 282 HD2 LYS 39 HD2 LYS 39 -0.238 -22.481 -12.212 283 HD3 LYS 39 HD1 LYS 39 -0.207 -23.653 -10.891 284 HE2 LYS 39 HE2 LYS 39 -1.440 -24.156 -13.598 285 HE3 LYS 39 HE1 LYS 39 0.189 -24.649 -13.136 286 HZ1 LYS 39 HZ1 LYS 39 -2.313 -25.536 -11.792 287 HZ2 LYS 39 HZ2 LYS 39 -0.736 -26.032 -11.401 288 HZ3 LYS 39 HZ3 LYS 39 -1.410 -26.452 -12.897 289 H SER 40 HN SER 40 -0.508 -19.441 -12.670 290 HA SER 40 HA SER 40 2.193 -19.937 -11.622 291 HB2 SER 40 HB2 SER 40 1.357 -19.887 -14.536 292 HB3 SER 40 HB1 SER 40 2.946 -20.311 -13.899 293 HG SER 40 HG SER 40 1.610 -22.150 -14.428 294 H LEU 41 HN LEU 41 3.813 -18.347 -12.559 295 HA LEU 41 HA LEU 41 2.541 -15.701 -12.504 296 HB2 LEU 41 HB2 LEU 41 5.254 -16.629 -11.592 297 HB3 LEU 41 HB1 LEU 41 4.885 -14.934 -11.825 298 HG LEU 41 HG LEU 41 4.682 -15.394 -9.502 299 HD11 LEU 41 HD11 LEU 41 2.335 -14.867 -9.061 300 HD12 LEU 41 HD12 LEU 41 1.935 -15.275 -10.728 301 HD13 LEU 41 HD13 LEU 41 2.988 -13.903 -10.386 302 HD21 LEU 41 HD21 LEU 41 4.461 -17.815 -9.605 303 HD22 LEU 41 HD22 LEU 41 2.821 -17.650 -10.230 304 HD23 LEU 41 HD23 LEU 41 3.199 -17.110 -8.595 305 H ASP 42 HN ASP 42 3.210 -14.085 -13.897 306 HA ASP 42 HA ASP 42 4.721 -15.011 -16.249 307 HB2 ASP 42 HB2 ASP 42 2.620 -12.845 -16.027 308 HB3 ASP 42 HB1 ASP 42 3.581 -13.140 -17.471 309 H GLU 43 HN GLU 43 6.543 -13.976 -16.801 310 HA GLU 43 HA GLU 43 7.688 -12.123 -14.968 311 HB2 GLU 43 HB2 GLU 43 9.555 -12.028 -16.619 312 HB3 GLU 43 HB1 GLU 43 9.126 -13.660 -16.132 313 HG2 GLU 43 HG2 GLU 43 7.824 -13.903 -18.213 314 HG3 GLU 43 HG1 GLU 43 8.369 -12.300 -18.704 315 H GLY 44 HN GLY 44 7.107 -10.075 -14.814 316 HA2 GLY 44 HA2 GLY 44 7.277 -7.890 -15.853 317 HA3 GLY 44 HA1 GLY 44 6.635 -8.601 -17.322 318 H GLN 45 HN GLN 45 4.773 -9.989 -15.021 319 HA GLN 45 HA GLN 45 2.671 -8.048 -15.479 320 HB2 GLN 45 HB2 GLN 45 1.152 -9.606 -14.414 321 HB3 GLN 45 HB1 GLN 45 2.130 -10.450 -15.602 322 HG2 GLN 45 HG2 GLN 45 3.380 -11.545 -13.958 323 HG3 GLN 45 HG1 GLN 45 2.842 -10.441 -12.691 324 HE21 GLN 45 HE21 GLN 45 1.888 -13.106 -14.759 325 HE22 GLN 45 HE22 GLN 45 0.545 -13.613 -13.801 326 H ALA 46 HN ALA 46 1.568 -6.885 -13.922 327 HA ALA 46 HA ALA 46 3.225 -6.235 -11.598 328 HB1 ALA 46 HB1 ALA 46 2.612 -4.390 -13.072 329 HB2 ALA 46 HB2 ALA 46 1.901 -4.183 -11.472 330 HB3 ALA 46 HB3 ALA 46 0.903 -4.741 -12.814 331 H VAL 47 HN VAL 47 2.457 -6.266 -9.508 332 HA VAL 47 HA VAL 47 -0.266 -7.195 -9.013 333 HB VAL 47 HB VAL 47 0.582 -8.918 -7.389 334 HG11 VAL 47 HG11 VAL 47 1.283 -9.400 -10.280 335 HG12 VAL 47 HG12 VAL 47 -0.321 -9.561 -9.564 336 HG13 VAL 47 HG13 VAL 47 0.981 -10.640 -9.063 337 HG21 VAL 47 HG21 VAL 47 3.187 -8.405 -8.816 338 HG22 VAL 47 HG22 VAL 47 2.868 -9.801 -7.786 339 HG23 VAL 47 HG23 VAL 47 2.849 -8.176 -7.100 340 H THR 48 HN THR 48 -1.014 -6.774 -6.920 341 HA THR 48 HA THR 48 0.547 -4.947 -5.284 342 HB THR 48 HB THR 48 -2.162 -6.196 -4.712 343 HG1 THR 48 HG1 THR 48 -3.057 -4.501 -5.760 344 HG21 THR 48 HG21 THR 48 -1.058 -5.291 -2.729 345 HG22 THR 48 HG22 THR 48 -2.436 -4.289 -3.181 346 HG23 THR 48 HG23 THR 48 -0.798 -3.757 -3.558 347 H PHE 49 HN PHE 49 1.538 -5.589 -3.321 348 HA PHE 49 HA PHE 49 1.480 -8.421 -2.672 349 HB2 PHE 49 HB2 PHE 49 2.925 -8.743 -4.428 350 HB3 PHE 49 HB1 PHE 49 3.565 -7.112 -4.347 351 HD1 PHE 49 HD2 PHE 49 3.816 -10.512 -3.012 352 HD2 PHE 49 HD1 PHE 49 5.475 -6.594 -3.008 353 HE1 PHE 49 HE2 PHE 49 5.842 -11.368 -1.917 354 HE2 PHE 49 HE1 PHE 49 7.506 -7.450 -1.923 355 HZ PHE 49 HZ PHE 49 7.688 -9.838 -1.373 356 H ASP 50 HN ASP 50 2.242 -8.836 -0.604 357 HA ASP 50 HA ASP 50 3.478 -6.526 0.758 358 HB2 ASP 50 HB2 ASP 50 1.327 -7.278 1.742 359 HB3 ASP 50 HB1 ASP 50 2.033 -8.868 2.019 360 H VAL 51 HN VAL 51 5.317 -6.880 2.069 361 HA VAL 51 HA VAL 51 6.733 -9.362 1.358 362 HB VAL 51 HB VAL 51 7.702 -7.510 0.128 363 HG11 VAL 51 HG11 VAL 51 8.759 -5.613 1.254 364 HG12 VAL 51 HG12 VAL 51 8.141 -6.188 2.802 365 HG13 VAL 51 HG13 VAL 51 7.021 -5.662 1.546 366 HG21 VAL 51 HG21 VAL 51 10.029 -7.684 0.877 367 HG22 VAL 51 HG22 VAL 51 9.219 -9.251 0.909 368 HG23 VAL 51 HG23 VAL 51 9.485 -8.363 2.411 369 H GLU 52 HN GLU 52 7.449 -10.558 2.987 370 HA GLU 52 HA GLU 52 7.799 -9.227 5.585 371 HB2 GLU 52 HB2 GLU 52 7.380 -11.411 6.658 372 HB3 GLU 52 HB1 GLU 52 5.998 -10.835 5.743 373 HG2 GLU 52 HG2 GLU 52 6.425 -12.385 3.983 374 HG3 GLU 52 HG1 GLU 52 7.967 -12.853 4.701 375 H GLU 53 HN GLU 53 9.681 -9.475 6.640 376 HA GLU 53 HA GLU 53 11.947 -10.157 5.066 377 HB2 GLU 53 HB2 GLU 53 11.756 -9.565 8.024 378 HB3 GLU 53 HB1 GLU 53 13.237 -9.584 7.074 379 HG2 GLU 53 HG2 GLU 53 12.444 -7.709 5.756 380 HG3 GLU 53 HG1 GLU 53 10.918 -7.714 6.639 381 H GLY 54 HN GLY 54 13.278 -11.915 5.162 382 HA2 GLY 54 HA2 GLY 54 12.484 -14.091 6.980 383 HA3 GLY 54 HA1 GLY 54 12.713 -14.392 5.263 384 H GLN 55 HN GLN 55 14.173 -15.918 6.813 385 HA GLN 55 HA GLN 55 16.611 -14.867 7.758 386 HB2 GLN 55 HB2 GLN 55 16.012 -17.685 6.832 387 HB3 GLN 55 HB1 GLN 55 17.370 -17.196 7.836 388 HG2 GLN 55 HG2 GLN 55 14.464 -16.976 8.596 389 HG3 GLN 55 HG1 GLN 55 15.575 -18.232 9.139 390 HE21 GLN 55 HE21 GLN 55 17.820 -16.417 9.424 391 HE22 GLN 55 HE22 GLN 55 17.504 -15.467 10.834 392 H ARG 56 HN ARG 56 17.950 -13.778 6.483 393 HA ARG 56 HA ARG 56 19.485 -13.318 4.887 394 HB2 ARG 56 HB2 ARG 56 19.231 -16.246 4.182 395 HB3 ARG 56 HB1 ARG 56 20.518 -15.170 3.654 396 HG2 ARG 56 HG2 ARG 56 21.304 -14.910 5.908 397 HG3 ARG 56 HG1 ARG 56 19.932 -15.827 6.533 398 HD2 ARG 56 HD2 ARG 56 21.829 -17.277 6.499 399 HD3 ARG 56 HD1 ARG 56 20.734 -17.786 5.216 400 HE ARG 56 HE ARG 56 23.176 -16.189 4.743 401 HH11 ARG 56 HH11 ARG 56 20.931 -18.712 3.826 402 HH12 ARG 56 HH12 ARG 56 21.818 -19.164 2.401 403 HH21 ARG 56 HH21 ARG 56 24.355 -16.787 2.906 404 HH22 ARG 56 HH22 ARG 56 23.774 -18.062 1.878 405 H GLY 57 HN GLY 57 16.488 -13.378 4.310 406 HA2 GLY 57 HA2 GLY 57 16.512 -12.155 1.856 407 HA3 GLY 57 HA1 GLY 57 16.282 -13.859 1.493 408 HA PRO 58 HA PRO 58 12.322 -11.781 3.351 409 HB2 PRO 58 HB2 PRO 58 11.460 -9.969 1.542 410 HB3 PRO 58 HB1 PRO 58 12.533 -9.533 2.878 411 HG2 PRO 58 HG2 PRO 58 13.199 -10.062 0.008 412 HG3 PRO 58 HG1 PRO 58 13.814 -8.797 1.087 413 HD2 PRO 58 HD2 PRO 58 15.200 -11.073 0.523 414 HD3 PRO 58 HD1 PRO 58 15.356 -10.190 2.054 415 H GLN 59 HN GLN 59 10.350 -12.672 2.817 416 HA GLN 59 HA GLN 59 10.246 -13.997 0.192 417 HB2 GLN 59 HB2 GLN 59 9.031 -15.817 1.166 418 HB3 GLN 59 HB1 GLN 59 10.479 -15.552 2.125 419 HG2 GLN 59 HG2 GLN 59 9.180 -14.409 3.821 420 HG3 GLN 59 HG1 GLN 59 7.720 -14.585 2.848 421 HE21 GLN 59 HE21 GLN 59 10.006 -16.167 4.902 422 HE22 GLN 59 HE22 GLN 59 9.135 -17.654 5.090 423 H ALA 60 HN ALA 60 8.062 -14.449 -0.595 424 HA ALA 60 HA ALA 60 6.568 -12.026 -0.666 425 HB1 ALA 60 HB1 ALA 60 5.149 -13.184 -2.269 426 HB2 ALA 60 HB2 ALA 60 5.923 -14.715 -1.866 427 HB3 ALA 60 HB3 ALA 60 6.853 -13.434 -2.641 428 H ALA 61 HN ALA 61 4.749 -11.467 0.351 429 HA ALA 61 HA ALA 61 3.161 -13.555 1.677 430 HB1 ALA 61 HB1 ALA 61 4.536 -12.418 3.380 431 HB2 ALA 61 HB2 ALA 61 2.814 -12.107 3.602 432 HB3 ALA 61 HB3 ALA 61 3.847 -10.870 2.884 433 H ASN 62 HN ASN 62 1.224 -13.535 0.743 434 HA ASN 62 HA ASN 62 -0.721 -12.840 -0.214 435 HB2 ASN 62 HB2 ASN 62 -0.067 -10.083 0.850 436 HB3 ASN 62 HB1 ASN 62 -1.646 -10.675 0.345 437 HD21 ASN 62 HD21 ASN 62 0.771 -10.702 2.813 438 HD22 ASN 62 HD22 ASN 62 -0.197 -11.450 4.043 439 H VAL 63 HN VAL 63 0.019 -13.184 -2.313 440 HA VAL 63 HA VAL 63 0.889 -10.778 -3.751 441 HB VAL 63 HB VAL 63 0.769 -13.647 -4.730 442 HG11 VAL 63 HG11 VAL 63 1.913 -11.176 -6.035 443 HG12 VAL 63 HG12 VAL 63 0.474 -12.057 -6.548 444 HG13 VAL 63 HG13 VAL 63 2.060 -12.823 -6.653 445 HG21 VAL 63 HG21 VAL 63 2.491 -13.337 -3.032 446 HG22 VAL 63 HG22 VAL 63 3.137 -11.960 -3.925 447 HG23 VAL 63 HG23 VAL 63 3.218 -13.579 -4.622 448 H GLN 64 HN GLN 64 -0.848 -9.591 -4.238 449 HA GLN 64 HA GLN 64 -3.312 -10.954 -5.076 450 HB2 GLN 64 HB2 GLN 64 -3.395 -9.419 -3.102 451 HB3 GLN 64 HB1 GLN 64 -2.939 -8.096 -4.162 452 HG2 GLN 64 HG2 GLN 64 -4.990 -8.373 -5.430 453 HG3 GLN 64 HG1 GLN 64 -5.441 -9.751 -4.423 454 HE21 GLN 64 HE21 GLN 64 -7.322 -8.789 -3.698 455 HE22 GLN 64 HE22 GLN 64 -7.325 -7.450 -2.602 456 H LYS 65 HN LYS 65 -4.164 -10.606 -7.063 457 HA LYS 65 HA LYS 65 -2.477 -9.701 -9.126 458 HB2 LYS 65 HB2 LYS 65 -4.527 -11.345 -9.118 459 HB3 LYS 65 HB1 LYS 65 -5.448 -9.887 -9.466 460 HG2 LYS 65 HG2 LYS 65 -4.951 -10.925 -11.535 461 HG3 LYS 65 HG1 LYS 65 -3.921 -9.496 -11.409 462 HD2 LYS 65 HD2 LYS 65 -2.027 -10.815 -10.824 463 HD3 LYS 65 HD1 LYS 65 -3.017 -12.263 -10.636 464 HE2 LYS 65 HE2 LYS 65 -2.480 -10.772 -13.201 465 HE3 LYS 65 HE1 LYS 65 -1.808 -12.335 -12.737 466 HZ1 LYS 65 HZ1 LYS 65 -4.698 -11.780 -13.137 467 HZ2 LYS 65 HZ2 LYS 65 -4.019 -13.288 -12.785 468 HZ3 LYS 65 HZ3 LYS 65 -3.694 -12.527 -14.270 469 H ALA 66 HN ALA 66 -2.227 -7.721 -10.037 470 HA ALA 66 HA ALA 66 -3.698 -5.494 -8.900 471 HB1 ALA 66 HB1 ALA 66 -2.138 -4.081 -10.131 472 HB2 ALA 66 HB2 ALA 66 -1.475 -5.500 -10.942 473 HB3 ALA 66 HB3 ALA 66 -1.273 -5.305 -9.200 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 2.735 -5.875 0.653 2 H2 MET 1 HT2 MET 1 2.471 -4.953 2.052 3 H3 MET 1 HT3 MET 1 3.932 -4.802 1.190 4 HA MET 1 HA MET 1 1.271 -4.112 0.073 5 HB2 MET 1 HB2 MET 1 1.905 -1.770 0.420 6 HB3 MET 1 HB1 MET 1 1.869 -2.627 1.955 7 HG2 MET 1 HG2 MET 1 4.298 -2.824 1.913 8 HG3 MET 1 HG1 MET 1 4.344 -1.986 0.365 9 HE1 MET 1 HE1 MET 1 6.061 -0.231 1.234 10 HE2 MET 1 HE2 MET 1 6.111 -1.057 2.791 11 HE3 MET 1 HE3 MET 1 5.873 0.689 2.727 12 H GLU 2 HN GLU 2 3.247 -5.769 -1.114 13 HA GLU 2 HA GLU 2 5.079 -4.034 -2.535 14 HB2 GLU 2 HB2 GLU 2 4.952 -7.046 -2.620 15 HB3 GLU 2 HB1 GLU 2 6.293 -6.019 -3.101 16 HG2 GLU 2 HG2 GLU 2 5.363 -6.765 -0.371 17 HG3 GLU 2 HG1 GLU 2 6.989 -6.790 -1.053 18 H GLN 3 HN GLN 3 3.713 -3.039 -3.999 19 HA GLN 3 HA GLN 3 2.497 -4.704 -6.064 20 HB2 GLN 3 HB2 GLN 3 1.408 -2.596 -5.090 21 HB3 GLN 3 HB1 GLN 3 2.623 -1.683 -5.969 22 HG2 GLN 3 HG2 GLN 3 0.776 -3.611 -7.336 23 HG3 GLN 3 HG1 GLN 3 0.337 -1.932 -7.040 24 HE21 GLN 3 HE21 GLN 3 0.712 -3.386 -9.544 25 HE22 GLN 3 HE22 GLN 3 1.904 -2.500 -10.427 26 H GLY 4 HN GLY 4 3.566 -5.207 -7.895 27 HA2 GLY 4 HA2 GLY 4 5.475 -3.461 -9.099 28 HA3 GLY 4 HA1 GLY 4 6.276 -4.748 -8.210 29 H THR 5 HN THR 5 7.152 -5.453 -10.206 30 HA THR 5 HA THR 5 5.206 -6.838 -11.931 31 HB THR 5 HB THR 5 7.912 -5.751 -12.741 32 HG1 THR 5 HG1 THR 5 5.549 -4.508 -12.426 33 HG21 THR 5 HG21 THR 5 7.176 -7.673 -14.080 34 HG22 THR 5 HG22 THR 5 7.152 -6.184 -15.026 35 HG23 THR 5 HG23 THR 5 5.646 -6.860 -14.405 36 H VAL 6 HN VAL 6 5.537 -8.965 -12.356 37 HA VAL 6 HA VAL 6 7.349 -10.462 -10.767 38 HB VAL 6 HB VAL 6 5.894 -11.370 -13.262 39 HG11 VAL 6 HG11 VAL 6 7.082 -12.932 -10.969 40 HG12 VAL 6 HG12 VAL 6 7.715 -12.855 -12.615 41 HG13 VAL 6 HG13 VAL 6 6.152 -13.614 -12.305 42 HG21 VAL 6 HG21 VAL 6 4.174 -12.210 -11.770 43 HG22 VAL 6 HG22 VAL 6 4.363 -10.468 -11.561 44 HG23 VAL 6 HG23 VAL 6 5.048 -11.580 -10.375 45 H LYS 7 HN LYS 7 9.481 -10.344 -11.045 46 HA LYS 7 HA LYS 7 10.697 -9.572 -13.497 47 HB2 LYS 7 HB2 LYS 7 11.791 -9.028 -11.410 48 HB3 LYS 7 HB1 LYS 7 11.857 -10.724 -10.953 49 HG2 LYS 7 HG2 LYS 7 13.327 -11.101 -12.950 50 HG3 LYS 7 HG1 LYS 7 13.395 -9.347 -13.136 51 HD2 LYS 7 HD2 LYS 7 14.152 -10.776 -10.595 52 HD3 LYS 7 HD1 LYS 7 15.312 -10.391 -11.867 53 HE2 LYS 7 HE2 LYS 7 13.589 -8.351 -10.465 54 HE3 LYS 7 HE1 LYS 7 15.241 -8.745 -9.990 55 HZ1 LYS 7 HZ1 LYS 7 15.970 -8.077 -12.221 56 HZ2 LYS 7 HZ2 LYS 7 15.218 -6.801 -11.388 57 HZ3 LYS 7 HZ3 LYS 7 14.380 -7.627 -12.607 58 H TRP 8 HN TRP 8 10.781 -12.623 -11.651 59 HA TRP 8 HA TRP 8 10.651 -14.240 -14.001 60 HB2 TRP 8 HB2 TRP 8 12.964 -13.443 -14.230 61 HB3 TRP 8 HB1 TRP 8 13.327 -13.991 -12.599 62 HD1 TRP 8 HD1 TRP 8 11.661 -15.888 -15.560 63 HE1 TRP 8 HE1 TRP 8 12.972 -18.073 -15.924 64 HE3 TRP 8 HE3 TRP 8 15.284 -15.256 -12.016 65 HZ2 TRP 8 HZ2 TRP 8 15.252 -19.352 -14.857 66 HZ3 TRP 8 HZ3 TRP 8 16.996 -17.002 -11.754 67 HH2 TRP 8 HH2 TRP 8 16.980 -19.008 -13.145 68 H PHE 9 HN PHE 9 10.120 -16.338 -13.460 69 HA PHE 9 HA PHE 9 10.198 -16.980 -10.595 70 HB2 PHE 9 HB2 PHE 9 8.192 -18.376 -10.943 71 HB3 PHE 9 HB1 PHE 9 7.897 -16.690 -11.339 72 HD1 PHE 9 HD1 PHE 9 8.189 -16.089 -13.898 73 HD2 PHE 9 HD2 PHE 9 7.462 -20.002 -12.388 74 HE1 PHE 9 HE1 PHE 9 7.296 -16.768 -16.089 75 HE2 PHE 9 HE2 PHE 9 6.575 -20.685 -14.577 76 HZ PHE 9 HZ PHE 9 6.491 -19.070 -16.430 77 H ASN 10 HN ASN 10 12.046 -18.093 -10.454 78 HA ASN 10 HA ASN 10 12.990 -19.802 -12.512 79 HB2 ASN 10 HB2 ASN 10 14.700 -20.500 -10.752 80 HB3 ASN 10 HB1 ASN 10 14.683 -18.808 -11.223 81 HD21 ASN 10 HD21 ASN 10 15.594 -20.221 -8.769 82 HD22 ASN 10 HD22 ASN 10 14.818 -19.401 -7.467 83 H ALA 11 HN ALA 11 11.412 -21.309 -12.918 84 HA ALA 11 HA ALA 11 10.391 -23.122 -10.988 85 HB1 ALA 11 HB1 ALA 11 10.606 -23.418 -13.984 86 HB2 ALA 11 HB2 ALA 11 9.255 -22.696 -13.109 87 HB3 ALA 11 HB3 ALA 11 9.614 -24.412 -12.917 88 H GLU 12 HN GLU 12 13.372 -22.838 -12.577 89 HA GLU 12 HA GLU 12 14.410 -25.404 -12.624 90 HB2 GLU 12 HB2 GLU 12 15.561 -23.387 -13.446 91 HB3 GLU 12 HB1 GLU 12 15.770 -22.833 -11.793 92 HG2 GLU 12 HG2 GLU 12 17.153 -24.843 -11.351 93 HG3 GLU 12 HG1 GLU 12 17.026 -25.253 -13.063 94 H LYS 13 HN LYS 13 13.902 -23.215 -9.930 95 HA LYS 13 HA LYS 13 14.880 -25.298 -8.088 96 HB2 LYS 13 HB2 LYS 13 14.915 -22.301 -7.666 97 HB3 LYS 13 HB1 LYS 13 15.545 -23.517 -6.558 98 HG2 LYS 13 HG2 LYS 13 17.261 -24.133 -8.105 99 HG3 LYS 13 HG1 LYS 13 16.566 -23.107 -9.359 100 HD2 LYS 13 HD2 LYS 13 18.419 -21.929 -8.480 101 HD3 LYS 13 HD1 LYS 13 16.979 -21.153 -7.824 102 HE2 LYS 13 HE2 LYS 13 17.272 -22.293 -5.719 103 HE3 LYS 13 HE1 LYS 13 18.626 -23.216 -6.369 104 HZ1 LYS 13 HZ1 LYS 13 18.525 -20.287 -5.893 105 HZ2 LYS 13 HZ2 LYS 13 19.787 -21.065 -6.710 106 HZ3 LYS 13 HZ3 LYS 13 19.489 -21.418 -5.077 107 H GLY 14 HN GLY 14 12.238 -23.495 -9.130 108 HA2 GLY 14 HA2 GLY 14 10.021 -23.842 -8.505 109 HA3 GLY 14 HA1 GLY 14 10.578 -24.650 -7.047 110 H PHE 15 HN PHE 15 11.305 -21.402 -8.309 111 HA PHE 15 HA PHE 15 9.951 -20.249 -5.981 112 HB2 PHE 15 HB2 PHE 15 12.837 -19.705 -6.713 113 HB3 PHE 15 HB1 PHE 15 11.908 -18.758 -5.560 114 HD1 PHE 15 HD1 PHE 15 10.913 -20.035 -3.548 115 HD2 PHE 15 HD2 PHE 15 14.050 -21.537 -6.005 116 HE1 PHE 15 HE1 PHE 15 11.583 -21.573 -1.747 117 HE2 PHE 15 HE2 PHE 15 14.720 -23.079 -4.212 118 HZ PHE 15 HZ PHE 15 13.489 -23.100 -2.081 119 H GLY 16 HN GLY 16 10.680 -17.654 -6.271 120 HA2 GLY 16 HA2 GLY 16 10.587 -16.796 -9.014 121 HA3 GLY 16 HA1 GLY 16 9.072 -16.541 -8.156 122 H PHE 17 HN PHE 17 10.665 -14.456 -9.212 123 HA PHE 17 HA PHE 17 11.264 -13.054 -6.704 124 HB2 PHE 17 HB2 PHE 17 12.970 -13.011 -9.203 125 HB3 PHE 17 HB1 PHE 17 13.170 -11.910 -7.844 126 HD1 PHE 17 HD2 PHE 17 13.743 -12.888 -5.584 127 HD2 PHE 17 HD1 PHE 17 13.964 -15.122 -9.201 128 HE1 PHE 17 HE2 PHE 17 15.226 -14.514 -4.486 129 HE2 PHE 17 HE1 PHE 17 15.446 -16.752 -8.108 130 HZ PHE 17 HZ PHE 17 16.079 -16.450 -5.749 131 H ILE 18 HN ILE 18 10.428 -11.095 -6.552 132 HA ILE 18 HA ILE 18 9.156 -9.903 -8.936 133 HB ILE 18 HB ILE 18 8.585 -9.282 -6.028 134 HG12 ILE 18 HG12 ILE 18 7.920 -11.575 -6.523 135 HG13 ILE 18 HG11 ILE 18 6.502 -10.557 -6.313 136 HG21 ILE 18 HG21 ILE 18 6.582 -8.165 -6.875 137 HG22 ILE 18 HG22 ILE 18 7.076 -8.531 -8.527 138 HG23 ILE 18 HG23 ILE 18 8.052 -7.447 -7.536 139 HD11 ILE 18 HD11 ILE 18 6.218 -12.111 -8.149 140 HD12 ILE 18 HD12 ILE 18 7.652 -11.455 -8.941 141 HD13 ILE 18 HD13 ILE 18 6.221 -10.444 -8.729 142 H GLU 19 HN GLU 19 9.557 -7.709 -9.430 143 HA GLU 19 HA GLU 19 11.828 -6.537 -7.978 144 HB2 GLU 19 HB2 GLU 19 12.075 -6.833 -10.435 145 HB3 GLU 19 HB1 GLU 19 10.711 -5.751 -10.677 146 HG2 GLU 19 HG2 GLU 19 11.899 -3.887 -10.045 147 HG3 GLU 19 HG1 GLU 19 13.050 -4.818 -9.087 148 H ARG 20 HN ARG 20 11.570 -4.754 -6.771 149 HA ARG 20 HA ARG 20 8.883 -3.552 -6.756 150 HB2 ARG 20 HB2 ARG 20 10.486 -4.754 -4.563 151 HB3 ARG 20 HB1 ARG 20 9.541 -3.320 -4.182 152 HG2 ARG 20 HG2 ARG 20 8.320 -5.695 -5.544 153 HG3 ARG 20 HG1 ARG 20 8.456 -5.583 -3.785 154 HD2 ARG 20 HD2 ARG 20 7.145 -3.502 -5.528 155 HD3 ARG 20 HD1 ARG 20 6.273 -4.785 -4.686 156 HE ARG 20 HE ARG 20 7.404 -3.752 -2.603 157 HH11 ARG 20 HH11 ARG 20 6.172 -1.954 -5.372 158 HH12 ARG 20 HH12 ARG 20 5.939 -0.486 -4.460 159 HH21 ARG 20 HH21 ARG 20 7.056 -1.875 -1.425 160 HH22 ARG 20 HH22 ARG 20 6.438 -0.442 -2.204 161 H GLU 21 HN GLU 21 8.894 -1.567 -5.261 162 HA GLU 21 HA GLU 21 10.539 0.402 -6.466 163 HB2 GLU 21 HB2 GLU 21 8.303 0.957 -5.760 164 HB3 GLU 21 HB1 GLU 21 8.650 0.471 -4.107 165 HG2 GLU 21 HG2 GLU 21 10.508 2.368 -4.384 166 HG3 GLU 21 HG1 GLU 21 9.312 2.970 -5.533 167 H ASN 22 HN ASN 22 10.433 -1.022 -3.224 168 HA ASN 22 HA ASN 22 12.722 0.613 -2.438 169 HB2 ASN 22 HB2 ASN 22 10.631 0.487 -1.034 170 HB3 ASN 22 HB1 ASN 22 11.034 -1.194 -0.704 171 HD21 ASN 22 HD21 ASN 22 11.857 2.125 -0.131 172 HD22 ASN 22 HD22 ASN 22 12.916 1.836 1.214 173 H GLY 23 HN GLY 23 11.932 -2.618 -3.319 174 HA2 GLY 23 HA2 GLY 23 14.650 -3.452 -2.577 175 HA3 GLY 23 HA1 GLY 23 13.282 -4.441 -2.092 176 H ASP 24 HN ASP 24 15.518 -5.152 -3.761 177 HA ASP 24 HA ASP 24 14.121 -5.687 -6.296 178 HB2 ASP 24 HB2 ASP 24 16.368 -6.053 -7.282 179 HB3 ASP 24 HB1 ASP 24 16.153 -4.417 -6.672 180 H ASP 25 HN ASP 25 14.030 -7.747 -7.072 181 HA ASP 25 HA ASP 25 13.710 -9.979 -6.945 182 HB2 ASP 25 HB2 ASP 25 16.439 -9.761 -5.693 183 HB3 ASP 25 HB1 ASP 25 15.657 -11.313 -5.972 184 H VAL 26 HN VAL 26 11.919 -9.566 -5.528 185 HA VAL 26 HA VAL 26 12.278 -10.164 -2.711 186 HB VAL 26 HB VAL 26 9.699 -9.828 -4.261 187 HG11 VAL 26 HG11 VAL 26 8.710 -9.363 -2.069 188 HG12 VAL 26 HG12 VAL 26 10.266 -9.680 -1.301 189 HG13 VAL 26 HG13 VAL 26 9.410 -10.980 -2.132 190 HG21 VAL 26 HG21 VAL 26 11.282 -7.782 -2.712 191 HG22 VAL 26 HG22 VAL 26 9.667 -7.535 -3.376 192 HG23 VAL 26 HG23 VAL 26 11.032 -7.813 -4.458 193 H PHE 27 HN PHE 27 11.821 -12.094 -1.743 194 HA PHE 27 HA PHE 27 12.036 -14.392 -3.411 195 HB2 PHE 27 HB2 PHE 27 11.571 -14.165 -0.429 196 HB3 PHE 27 HB1 PHE 27 11.944 -15.660 -1.279 197 HD1 PHE 27 HD2 PHE 27 14.152 -15.874 -2.442 198 HD2 PHE 27 HD1 PHE 27 13.267 -12.694 0.243 199 HE1 PHE 27 HE2 PHE 27 16.556 -15.434 -2.176 200 HE2 PHE 27 HE1 PHE 27 15.671 -12.251 0.516 201 HZ PHE 27 HZ PHE 27 17.318 -13.622 -0.696 202 H VAL 28 HN VAL 28 10.349 -15.095 -4.557 203 HA VAL 28 HA VAL 28 7.716 -15.213 -3.257 204 HB VAL 28 HB VAL 28 8.400 -15.672 -6.166 205 HG11 VAL 28 HG11 VAL 28 5.980 -15.457 -6.525 206 HG12 VAL 28 HG12 VAL 28 5.740 -15.333 -4.781 207 HG13 VAL 28 HG13 VAL 28 6.372 -16.824 -5.481 208 HG21 VAL 28 HG21 VAL 28 8.840 -13.368 -5.519 209 HG22 VAL 28 HG22 VAL 28 7.222 -13.243 -4.827 210 HG23 VAL 28 HG23 VAL 28 7.422 -13.469 -6.564 211 H HIS 29 HN HIS 29 6.862 -17.090 -2.665 212 HA HIS 29 HA HIS 29 8.036 -19.557 -3.722 213 HB2 HIS 29 HB2 HIS 29 7.906 -20.633 -1.533 214 HB3 HIS 29 HB1 HIS 29 8.957 -19.229 -1.476 215 HD1 HIS 29 HD1 HIS 29 7.511 -20.613 0.978 216 HD2 HIS 29 HD2 HIS 29 6.355 -17.083 -0.897 217 HE1 HIS 29 HE1 HIS 29 6.153 -19.348 2.680 218 HE2 HIS 29 HE2 HIS 29 5.666 -17.127 1.603 219 H PHE 30 HN PHE 30 6.616 -21.398 -3.698 220 HA PHE 30 HA PHE 30 4.204 -20.664 -4.932 221 HB2 PHE 30 HB2 PHE 30 5.653 -22.792 -5.206 222 HB3 PHE 30 HB1 PHE 30 4.703 -23.430 -3.870 223 HD1 PHE 30 HD1 PHE 30 4.450 -22.037 -7.292 224 HD2 PHE 30 HD2 PHE 30 2.574 -24.338 -4.241 225 HE1 PHE 30 HE1 PHE 30 2.701 -22.714 -8.884 226 HE2 PHE 30 HE2 PHE 30 0.820 -25.020 -5.828 227 HZ PHE 30 HZ PHE 30 0.881 -24.207 -8.154 228 H SER 31 HN SER 31 4.871 -21.286 -1.611 229 HA SER 31 HA SER 31 2.322 -22.072 -0.726 230 HB2 SER 31 HB2 SER 31 4.378 -22.267 0.632 231 HB3 SER 31 HB1 SER 31 4.453 -20.511 0.759 232 HG SER 31 HG SER 31 2.107 -21.843 1.561 233 H ALA 32 HN ALA 32 3.466 -19.052 -1.869 234 HA ALA 32 HA ALA 32 1.490 -17.484 -0.399 235 HB1 ALA 32 HB1 ALA 32 2.574 -15.560 -1.493 236 HB2 ALA 32 HB2 ALA 32 3.644 -16.674 -2.345 237 HB3 ALA 32 HB3 ALA 32 3.708 -16.561 -0.585 238 H ILE 33 HN ILE 33 1.610 -19.215 -3.244 239 HA ILE 33 HA ILE 33 0.219 -17.344 -4.947 240 HB ILE 33 HB ILE 33 0.656 -20.293 -5.443 241 HG12 ILE 33 HG12 ILE 33 2.815 -19.207 -4.952 242 HG13 ILE 33 HG11 ILE 33 2.702 -19.685 -6.642 243 HG21 ILE 33 HG21 ILE 33 -0.972 -19.202 -6.901 244 HG22 ILE 33 HG22 ILE 33 0.477 -19.662 -7.796 245 HG23 ILE 33 HG23 ILE 33 0.226 -17.980 -7.329 246 HD11 ILE 33 HD11 ILE 33 2.300 -16.901 -5.567 247 HD12 ILE 33 HD12 ILE 33 2.217 -17.384 -7.262 248 HD13 ILE 33 HD13 ILE 33 3.741 -17.504 -6.386 249 H GLN 34 HN GLN 34 -1.927 -17.265 -5.344 250 HA GLN 34 HA GLN 34 -3.626 -19.344 -4.137 251 HB2 GLN 34 HB2 GLN 34 -5.443 -17.729 -4.103 252 HB3 GLN 34 HB1 GLN 34 -4.050 -17.061 -3.264 253 HG2 GLN 34 HG2 GLN 34 -3.598 -15.542 -4.959 254 HG3 GLN 34 HG1 GLN 34 -4.541 -16.439 -6.148 255 HE21 GLN 34 HE21 GLN 34 -4.674 -13.635 -5.377 256 HE22 GLN 34 HE22 GLN 34 -6.310 -13.360 -4.895 257 H GLY 35 HN GLY 35 -5.899 -19.193 -5.507 258 HA2 GLY 35 HA2 GLY 35 -5.037 -19.948 -8.201 259 HA3 GLY 35 HA1 GLY 35 -6.583 -20.339 -7.461 260 H ASP 36 HN ASP 36 -4.713 -17.892 -9.092 261 HA ASP 36 HA ASP 36 -7.190 -16.351 -9.537 262 HB2 ASP 36 HB2 ASP 36 -5.360 -15.097 -8.383 263 HB3 ASP 36 HB1 ASP 36 -4.334 -15.367 -9.787 264 H GLY 37 HN GLY 37 -7.792 -17.793 -11.215 265 HA2 GLY 37 HA2 GLY 37 -7.924 -18.400 -13.445 266 HA3 GLY 37 HA1 GLY 37 -6.602 -17.288 -13.786 267 H PHE 38 HN PHE 38 -4.516 -18.112 -12.487 268 HA PHE 38 HA PHE 38 -4.195 -21.007 -12.885 269 HB2 PHE 38 HB2 PHE 38 -2.152 -18.922 -13.705 270 HB3 PHE 38 HB1 PHE 38 -2.001 -20.665 -13.888 271 HD1 PHE 38 HD1 PHE 38 -3.575 -21.845 -15.480 272 HD2 PHE 38 HD2 PHE 38 -3.146 -17.611 -15.357 273 HE1 PHE 38 HE1 PHE 38 -4.550 -21.680 -17.735 274 HE2 PHE 38 HE2 PHE 38 -4.118 -17.443 -17.609 275 HZ PHE 38 HZ PHE 38 -4.822 -19.477 -18.800 276 H LYS 39 HN LYS 39 -2.166 -21.783 -11.743 277 HA LYS 39 HA LYS 39 -1.695 -20.171 -9.331 278 HB2 LYS 39 HB2 LYS 39 -0.649 -22.391 -8.477 279 HB3 LYS 39 HB1 LYS 39 -2.396 -22.222 -8.517 280 HG2 LYS 39 HG2 LYS 39 -1.922 -24.380 -9.308 281 HG3 LYS 39 HG1 LYS 39 -2.347 -23.428 -10.729 282 HD2 LYS 39 HD2 LYS 39 0.016 -23.172 -11.276 283 HD3 LYS 39 HD1 LYS 39 0.460 -24.080 -9.828 284 HE2 LYS 39 HE2 LYS 39 0.543 -25.487 -11.825 285 HE3 LYS 39 HE1 LYS 39 -0.687 -26.044 -10.691 286 HZ1 LYS 39 HZ1 LYS 39 -1.474 -26.059 -12.991 287 HZ2 LYS 39 HZ2 LYS 39 -1.212 -24.388 -13.098 288 HZ3 LYS 39 HZ3 LYS 39 -2.382 -24.993 -12.031 289 H SER 40 HN SER 40 -0.490 -20.458 -12.218 290 HA SER 40 HA SER 40 2.306 -20.188 -11.349 291 HB2 SER 40 HB2 SER 40 1.297 -20.577 -14.181 292 HB3 SER 40 HB1 SER 40 2.958 -20.713 -13.607 293 HG SER 40 HG SER 40 2.439 -22.767 -13.512 294 H LEU 41 HN LEU 41 3.345 -18.244 -11.734 295 HA LEU 41 HA LEU 41 1.631 -16.070 -12.721 296 HB2 LEU 41 HB2 LEU 41 4.089 -15.963 -10.971 297 HB3 LEU 41 HB1 LEU 41 3.177 -14.568 -11.508 298 HG LEU 41 HG LEU 41 2.157 -16.747 -9.680 299 HD11 LEU 41 HD11 LEU 41 2.182 -15.007 -7.972 300 HD12 LEU 41 HD12 LEU 41 2.873 -13.870 -9.130 301 HD13 LEU 41 HD13 LEU 41 3.799 -15.283 -8.621 302 HD21 LEU 41 HD21 LEU 41 0.359 -15.875 -11.046 303 HD22 LEU 41 HD22 LEU 41 0.839 -14.220 -10.670 304 HD23 LEU 41 HD23 LEU 41 0.204 -15.265 -9.398 305 H ASP 42 HN ASP 42 2.273 -14.829 -14.425 306 HA ASP 42 HA ASP 42 4.577 -15.877 -15.885 307 HB2 ASP 42 HB2 ASP 42 3.615 -14.989 -17.881 308 HB3 ASP 42 HB1 ASP 42 2.330 -15.801 -17.002 309 H GLU 43 HN GLU 43 6.389 -14.786 -16.096 310 HA GLU 43 HA GLU 43 6.777 -12.383 -14.683 311 HB2 GLU 43 HB2 GLU 43 9.002 -12.417 -16.139 312 HB3 GLU 43 HB1 GLU 43 8.764 -13.465 -14.754 313 HG2 GLU 43 HG2 GLU 43 9.729 -14.731 -16.522 314 HG3 GLU 43 HG1 GLU 43 8.073 -15.274 -16.286 315 H GLY 44 HN GLY 44 6.793 -10.319 -15.266 316 HA2 GLY 44 HA2 GLY 44 6.909 -8.604 -16.985 317 HA3 GLY 44 HA1 GLY 44 6.096 -9.723 -18.070 318 H GLN 45 HN GLN 45 4.381 -10.443 -15.559 319 HA GLN 45 HA GLN 45 2.331 -8.474 -16.135 320 HB2 GLN 45 HB2 GLN 45 0.841 -9.844 -14.865 321 HB3 GLN 45 HB1 GLN 45 1.829 -10.917 -15.845 322 HG2 GLN 45 HG2 GLN 45 3.242 -11.388 -13.903 323 HG3 GLN 45 HG1 GLN 45 2.232 -10.328 -12.922 324 HE21 GLN 45 HE21 GLN 45 -0.215 -11.192 -14.263 325 HE22 GLN 45 HE22 GLN 45 -0.561 -12.772 -13.655 326 H ALA 46 HN ALA 46 1.311 -7.145 -14.597 327 HA ALA 46 HA ALA 46 3.026 -6.373 -12.352 328 HB1 ALA 46 HB1 ALA 46 0.598 -4.987 -13.496 329 HB2 ALA 46 HB2 ALA 46 2.275 -4.606 -13.887 330 HB3 ALA 46 HB3 ALA 46 1.673 -4.349 -12.250 331 H VAL 47 HN VAL 47 2.541 -6.967 -10.342 332 HA VAL 47 HA VAL 47 -0.223 -7.673 -9.673 333 HB VAL 47 HB VAL 47 0.664 -9.688 -8.409 334 HG11 VAL 47 HG11 VAL 47 0.810 -9.727 -11.420 335 HG12 VAL 47 HG12 VAL 47 -0.646 -9.917 -10.444 336 HG13 VAL 47 HG13 VAL 47 0.622 -11.140 -10.383 337 HG21 VAL 47 HG21 VAL 47 3.031 -9.261 -10.228 338 HG22 VAL 47 HG22 VAL 47 2.746 -10.682 -9.222 339 HG23 VAL 47 HG23 VAL 47 3.030 -9.111 -8.471 340 H THR 48 HN THR 48 -0.341 -8.201 -7.252 341 HA THR 48 HA THR 48 1.412 -6.370 -5.759 342 HB THR 48 HB THR 48 -1.524 -6.855 -5.195 343 HG1 THR 48 HG1 THR 48 -1.839 -4.784 -6.132 344 HG21 THR 48 HG21 THR 48 -0.191 -6.158 -3.250 345 HG22 THR 48 HG22 THR 48 -1.320 -4.898 -3.745 346 HG23 THR 48 HG23 THR 48 0.390 -4.759 -4.153 347 H PHE 49 HN PHE 49 2.030 -7.053 -3.706 348 HA PHE 49 HA PHE 49 1.144 -9.724 -2.856 349 HB2 PHE 49 HB2 PHE 49 3.971 -8.741 -3.209 350 HB3 PHE 49 HB1 PHE 49 3.588 -10.053 -2.106 351 HD1 PHE 49 HD1 PHE 49 3.690 -9.026 -5.635 352 HD2 PHE 49 HD2 PHE 49 3.074 -12.229 -2.902 353 HE1 PHE 49 HE1 PHE 49 3.877 -10.636 -7.481 354 HE2 PHE 49 HE2 PHE 49 3.255 -13.842 -4.749 355 HZ PHE 49 HZ PHE 49 3.658 -13.046 -7.040 356 H ASP 50 HN ASP 50 1.103 -10.064 -0.641 357 HA ASP 50 HA ASP 50 1.599 -7.736 1.055 358 HB2 ASP 50 HB2 ASP 50 -0.340 -9.258 1.509 359 HB3 ASP 50 HB1 ASP 50 0.808 -10.536 1.900 360 H VAL 51 HN VAL 51 3.160 -7.861 2.863 361 HA VAL 51 HA VAL 51 5.521 -9.302 1.856 362 HB VAL 51 HB VAL 51 5.710 -6.879 1.664 363 HG11 VAL 51 HG11 VAL 51 5.383 -6.834 4.659 364 HG12 VAL 51 HG12 VAL 51 4.261 -6.179 3.467 365 HG13 VAL 51 HG13 VAL 51 5.859 -5.460 3.662 366 HG21 VAL 51 HG21 VAL 51 7.530 -7.996 3.793 367 HG22 VAL 51 HG22 VAL 51 7.860 -6.594 2.773 368 HG23 VAL 51 HG23 VAL 51 7.726 -8.198 2.052 369 H GLU 52 HN GLU 52 6.607 -10.653 3.104 370 HA GLU 52 HA GLU 52 6.150 -10.574 6.014 371 HB2 GLU 52 HB2 GLU 52 6.518 -12.966 4.212 372 HB3 GLU 52 HB1 GLU 52 6.735 -13.050 5.954 373 HG2 GLU 52 HG2 GLU 52 4.387 -12.240 6.206 374 HG3 GLU 52 HG1 GLU 52 4.210 -12.399 4.457 375 H GLU 53 HN GLU 53 7.917 -10.102 7.128 376 HA GLU 53 HA GLU 53 10.507 -10.232 5.793 377 HB2 GLU 53 HB2 GLU 53 9.683 -9.074 8.462 378 HB3 GLU 53 HB1 GLU 53 11.323 -9.032 7.825 379 HG2 GLU 53 HG2 GLU 53 10.499 -7.760 5.880 380 HG3 GLU 53 HG1 GLU 53 8.894 -7.741 6.609 381 H GLY 54 HN GLY 54 11.695 -11.983 5.940 382 HA2 GLY 54 HA2 GLY 54 11.271 -13.754 8.264 383 HA3 GLY 54 HA1 GLY 54 11.592 -14.338 6.640 384 H GLN 55 HN GLN 55 13.221 -15.536 7.954 385 HA GLN 55 HA GLN 55 15.496 -14.027 8.905 386 HB2 GLN 55 HB2 GLN 55 16.390 -16.252 9.523 387 HB3 GLN 55 HB1 GLN 55 14.784 -15.957 10.175 388 HG2 GLN 55 HG2 GLN 55 13.890 -17.245 8.189 389 HG3 GLN 55 HG1 GLN 55 15.556 -17.730 7.880 390 HE21 GLN 55 HE21 GLN 55 13.218 -19.326 8.596 391 HE22 GLN 55 HE22 GLN 55 13.634 -20.173 10.046 392 H ARG 56 HN ARG 56 14.516 -15.548 6.006 393 HA ARG 56 HA ARG 56 17.239 -15.735 4.976 394 HB2 ARG 56 HB2 ARG 56 14.553 -16.375 3.742 395 HB3 ARG 56 HB1 ARG 56 16.087 -16.554 2.901 396 HG2 ARG 56 HG2 ARG 56 15.668 -17.926 5.516 397 HG3 ARG 56 HG1 ARG 56 14.972 -18.603 4.045 398 HD2 ARG 56 HD2 ARG 56 17.154 -19.575 4.541 399 HD3 ARG 56 HD1 ARG 56 17.164 -18.692 3.019 400 HE ARG 56 HE ARG 56 18.059 -16.896 4.893 401 HH11 ARG 56 HH11 ARG 56 19.053 -20.080 3.809 402 HH12 ARG 56 HH12 ARG 56 20.742 -19.797 4.138 403 HH21 ARG 56 HH21 ARG 56 20.264 -16.506 5.287 404 HH22 ARG 56 HH22 ARG 56 21.431 -17.759 4.948 405 H GLY 57 HN GLY 57 14.303 -13.861 4.592 406 HA2 GLY 57 HA2 GLY 57 15.401 -11.433 4.058 407 HA3 GLY 57 HA1 GLY 57 15.341 -12.213 2.482 408 HA PRO 58 HA PRO 58 11.191 -10.229 3.298 409 HB2 PRO 58 HB2 PRO 58 11.077 -8.825 0.976 410 HB3 PRO 58 HB1 PRO 58 11.805 -8.185 2.453 411 HG2 PRO 58 HG2 PRO 58 13.129 -9.399 0.061 412 HG3 PRO 58 HG1 PRO 58 13.610 -7.979 1.007 413 HD2 PRO 58 HD2 PRO 58 14.769 -10.415 1.315 414 HD3 PRO 58 HD1 PRO 58 14.610 -9.248 2.642 415 H GLN 59 HN GLN 59 9.765 -11.814 2.950 416 HA GLN 59 HA GLN 59 9.774 -13.238 0.392 417 HB2 GLN 59 HB2 GLN 59 8.305 -13.788 2.977 418 HB3 GLN 59 HB1 GLN 59 8.119 -14.744 1.516 419 HG2 GLN 59 HG2 GLN 59 10.542 -15.267 1.621 420 HG3 GLN 59 HG1 GLN 59 10.608 -14.418 3.165 421 HE21 GLN 59 HE21 GLN 59 11.215 -16.239 4.292 422 HE22 GLN 59 HE22 GLN 59 10.119 -17.544 4.613 423 H ALA 60 HN ALA 60 8.202 -13.050 -1.076 424 HA ALA 60 HA ALA 60 6.077 -11.116 -0.613 425 HB1 ALA 60 HB1 ALA 60 7.292 -11.043 -2.742 426 HB2 ALA 60 HB2 ALA 60 5.586 -11.414 -2.995 427 HB3 ALA 60 HB3 ALA 60 6.791 -12.699 -3.088 428 H ALA 61 HN ALA 61 4.263 -11.777 0.281 429 HA ALA 61 HA ALA 61 3.362 -14.537 -0.218 430 HB1 ALA 61 HB1 ALA 61 3.003 -12.932 2.302 431 HB2 ALA 61 HB2 ALA 61 4.165 -14.240 2.082 432 HB3 ALA 61 HB3 ALA 61 2.434 -14.577 2.023 433 H ASN 62 HN ASN 62 0.963 -14.784 0.095 434 HA ASN 62 HA ASN 62 -1.124 -14.299 -0.666 435 HB2 ASN 62 HB2 ASN 62 -0.585 -11.568 0.523 436 HB3 ASN 62 HB1 ASN 62 -2.163 -12.274 0.193 437 HD21 ASN 62 HD21 ASN 62 0.610 -12.295 2.232 438 HD22 ASN 62 HD22 ASN 62 -0.077 -13.222 3.525 439 H VAL 63 HN VAL 63 -0.756 -14.436 -2.863 440 HA VAL 63 HA VAL 63 0.134 -12.187 -4.382 441 HB VAL 63 HB VAL 63 -1.320 -14.644 -5.384 442 HG11 VAL 63 HG11 VAL 63 -0.229 -14.127 -7.529 443 HG12 VAL 63 HG12 VAL 63 0.415 -12.643 -6.828 444 HG13 VAL 63 HG13 VAL 63 -1.327 -12.846 -7.009 445 HG21 VAL 63 HG21 VAL 63 1.638 -14.150 -5.086 446 HG22 VAL 63 HG22 VAL 63 0.909 -15.538 -5.895 447 HG23 VAL 63 HG23 VAL 63 0.667 -15.297 -4.164 448 H GLN 64 HN GLN 64 -1.067 -10.418 -4.619 449 HA GLN 64 HA GLN 64 -3.970 -10.697 -5.015 450 HB2 GLN 64 HB2 GLN 64 -3.236 -9.201 -3.170 451 HB3 GLN 64 HB1 GLN 64 -2.352 -8.228 -4.335 452 HG2 GLN 64 HG2 GLN 64 -4.447 -7.671 -5.461 453 HG3 GLN 64 HG1 GLN 64 -5.330 -8.645 -4.285 454 HE21 GLN 64 HE21 GLN 64 -5.570 -7.887 -2.181 455 HE22 GLN 64 HE22 GLN 64 -5.245 -6.244 -1.746 456 H LYS 65 HN LYS 65 -4.884 -10.028 -6.937 457 HA LYS 65 HA LYS 65 -3.006 -9.665 -9.116 458 HB2 LYS 65 HB2 LYS 65 -5.170 -11.180 -9.011 459 HB3 LYS 65 HB1 LYS 65 -5.970 -9.697 -9.521 460 HG2 LYS 65 HG2 LYS 65 -5.406 -11.102 -11.427 461 HG3 LYS 65 HG1 LYS 65 -4.515 -9.576 -11.474 462 HD2 LYS 65 HD2 LYS 65 -2.535 -10.654 -10.613 463 HD3 LYS 65 HD1 LYS 65 -3.413 -12.171 -10.399 464 HE2 LYS 65 HE2 LYS 65 -2.829 -10.792 -13.014 465 HE3 LYS 65 HE1 LYS 65 -2.020 -12.231 -12.397 466 HZ1 LYS 65 HZ1 LYS 65 -4.374 -13.223 -12.362 467 HZ2 LYS 65 HZ2 LYS 65 -3.582 -13.071 -13.855 468 HZ3 LYS 65 HZ3 LYS 65 -4.776 -11.949 -13.413 469 H ALA 66 HN ALA 66 -3.063 -7.928 -10.580 470 HA ALA 66 HA ALA 66 -4.450 -5.521 -9.607 471 HB1 ALA 66 HB1 ALA 66 -2.021 -5.390 -9.266 472 HB2 ALA 66 HB2 ALA 66 -2.580 -4.197 -10.437 473 HB3 ALA 66 HB3 ALA 66 -1.765 -5.660 -10.993 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 3.405 -2.081 1.354 2 H2 MET 1 HT2 MET 1 2.487 -3.501 1.262 3 H3 MET 1 HT3 MET 1 1.721 -2.019 1.547 4 HA MET 1 HA MET 1 1.429 -2.773 -0.735 5 HB2 MET 1 HB2 MET 1 2.976 -0.265 -0.157 6 HB3 MET 1 HB1 MET 1 2.542 -0.675 -1.809 7 HG2 MET 1 HG2 MET 1 0.196 -0.669 -1.232 8 HG3 MET 1 HG1 MET 1 0.590 -0.361 0.457 9 HE1 MET 1 HE1 MET 1 0.991 1.090 -3.211 10 HE2 MET 1 HE2 MET 1 2.594 1.258 -2.493 11 HE3 MET 1 HE3 MET 1 1.635 2.692 -2.853 12 H GLU 2 HN GLU 2 2.723 -4.771 -0.985 13 HA GLU 2 HA GLU 2 5.403 -4.256 -2.039 14 HB2 GLU 2 HB2 GLU 2 4.122 -6.958 -1.689 15 HB3 GLU 2 HB1 GLU 2 5.832 -6.579 -1.827 16 HG2 GLU 2 HG2 GLU 2 4.013 -6.039 0.505 17 HG3 GLU 2 HG1 GLU 2 5.395 -7.131 0.437 18 H GLN 3 HN GLN 3 4.666 -3.219 -3.934 19 HA GLN 3 HA GLN 3 3.462 -5.047 -5.903 20 HB2 GLN 3 HB2 GLN 3 2.074 -3.058 -5.396 21 HB3 GLN 3 HB1 GLN 3 3.406 -2.020 -5.882 22 HG2 GLN 3 HG2 GLN 3 3.281 -2.896 -8.149 23 HG3 GLN 3 HG1 GLN 3 1.971 -3.972 -7.667 24 HE21 GLN 3 HE21 GLN 3 -0.063 -3.125 -7.273 25 HE22 GLN 3 HE22 GLN 3 -0.519 -1.537 -7.812 26 H GLY 4 HN GLY 4 4.426 -5.247 -7.906 27 HA2 GLY 4 HA2 GLY 4 6.422 -3.601 -8.945 28 HA3 GLY 4 HA1 GLY 4 7.220 -4.871 -8.027 29 H THR 5 HN THR 5 8.006 -5.072 -10.368 30 HA THR 5 HA THR 5 6.177 -6.540 -12.090 31 HB THR 5 HB THR 5 9.042 -5.677 -12.544 32 HG1 THR 5 HG1 THR 5 7.511 -3.940 -12.367 33 HG21 THR 5 HG21 THR 5 6.992 -6.736 -14.499 34 HG22 THR 5 HG22 THR 5 8.423 -7.599 -13.934 35 HG23 THR 5 HG23 THR 5 8.599 -6.139 -14.909 36 H VAL 6 HN VAL 6 6.195 -8.687 -12.325 37 HA VAL 6 HA VAL 6 7.827 -10.380 -10.729 38 HB VAL 6 HB VAL 6 6.214 -11.119 -13.182 39 HG11 VAL 6 HG11 VAL 6 7.254 -12.801 -10.906 40 HG12 VAL 6 HG12 VAL 6 7.790 -12.850 -12.585 41 HG13 VAL 6 HG13 VAL 6 6.158 -13.365 -12.164 42 HG21 VAL 6 HG21 VAL 6 4.828 -9.995 -11.499 43 HG22 VAL 6 HG22 VAL 6 5.375 -11.146 -10.281 44 HG23 VAL 6 HG23 VAL 6 4.410 -11.701 -11.649 45 H LYS 7 HN LYS 7 9.930 -10.615 -11.069 46 HA LYS 7 HA LYS 7 11.199 -9.935 -13.515 47 HB2 LYS 7 HB2 LYS 7 12.313 -9.664 -11.357 48 HB3 LYS 7 HB1 LYS 7 12.251 -11.399 -11.085 49 HG2 LYS 7 HG2 LYS 7 13.715 -11.744 -13.023 50 HG3 LYS 7 HG1 LYS 7 13.799 -9.994 -13.251 51 HD2 LYS 7 HD2 LYS 7 14.656 -11.443 -10.747 52 HD3 LYS 7 HD1 LYS 7 15.751 -10.944 -12.037 53 HE2 LYS 7 HE2 LYS 7 13.987 -9.067 -10.470 54 HE3 LYS 7 HE1 LYS 7 15.681 -9.387 -10.102 55 HZ1 LYS 7 HZ1 LYS 7 16.290 -8.533 -12.268 56 HZ2 LYS 7 HZ2 LYS 7 15.404 -7.367 -11.407 57 HZ3 LYS 7 HZ3 LYS 7 14.663 -8.247 -12.653 58 H TRP 8 HN TRP 8 11.049 -13.043 -11.784 59 HA TRP 8 HA TRP 8 10.263 -14.600 -13.968 60 HB2 TRP 8 HB2 TRP 8 12.478 -13.998 -14.899 61 HB3 TRP 8 HB1 TRP 8 13.254 -14.662 -13.466 62 HD1 TRP 8 HD1 TRP 8 10.821 -15.990 -16.201 63 HE1 TRP 8 HE1 TRP 8 11.540 -18.390 -16.793 64 HE3 TRP 8 HE3 TRP 8 14.726 -16.496 -12.941 65 HZ2 TRP 8 HZ2 TRP 8 13.506 -20.250 -15.988 66 HZ3 TRP 8 HZ3 TRP 8 15.976 -18.617 -12.916 67 HH2 TRP 8 HH2 TRP 8 15.376 -20.455 -14.410 68 H PHE 9 HN PHE 9 9.785 -16.658 -13.277 69 HA PHE 9 HA PHE 9 10.419 -17.211 -10.477 70 HB2 PHE 9 HB2 PHE 9 8.560 -18.813 -10.522 71 HB3 PHE 9 HB1 PHE 9 8.033 -17.216 -11.027 72 HD1 PHE 9 HD1 PHE 9 7.887 -16.802 -13.581 73 HD2 PHE 9 HD2 PHE 9 8.055 -20.664 -11.800 74 HE1 PHE 9 HE1 PHE 9 6.914 -17.779 -15.618 75 HE2 PHE 9 HE2 PHE 9 7.082 -21.649 -13.836 76 HZ PHE 9 HZ PHE 9 6.512 -20.204 -15.749 77 H ASN 10 HN ASN 10 12.092 -18.493 -10.102 78 HA ASN 10 HA ASN 10 13.227 -20.063 -12.203 79 HB2 ASN 10 HB2 ASN 10 14.863 -20.816 -10.433 80 HB3 ASN 10 HB1 ASN 10 14.805 -19.085 -10.723 81 HD21 ASN 10 HD21 ASN 10 15.624 -20.775 -8.407 82 HD22 ASN 10 HD22 ASN 10 14.767 -20.110 -7.061 83 H ALA 11 HN ALA 11 11.525 -21.423 -12.721 84 HA ALA 11 HA ALA 11 10.333 -23.294 -11.002 85 HB1 ALA 11 HB1 ALA 11 9.424 -22.700 -13.193 86 HB2 ALA 11 HB2 ALA 11 9.628 -24.445 -13.034 87 HB3 ALA 11 HB3 ALA 11 10.782 -23.505 -13.980 88 H GLU 12 HN GLU 12 13.478 -23.117 -12.208 89 HA GLU 12 HA GLU 12 14.335 -25.745 -12.415 90 HB2 GLU 12 HB2 GLU 12 15.769 -23.845 -12.927 91 HB3 GLU 12 HB1 GLU 12 15.743 -23.338 -11.245 92 HG2 GLU 12 HG2 GLU 12 16.855 -25.515 -10.683 93 HG3 GLU 12 HG1 GLU 12 17.060 -25.766 -12.417 94 H LYS 13 HN LYS 13 13.955 -23.716 -9.533 95 HA LYS 13 HA LYS 13 14.333 -26.118 -7.870 96 HB2 LYS 13 HB2 LYS 13 14.821 -23.211 -7.199 97 HB3 LYS 13 HB1 LYS 13 14.929 -24.530 -6.040 98 HG2 LYS 13 HG2 LYS 13 16.732 -25.534 -7.343 99 HG3 LYS 13 HG1 LYS 13 16.620 -24.215 -8.510 100 HD2 LYS 13 HD2 LYS 13 17.245 -22.614 -6.797 101 HD3 LYS 13 HD1 LYS 13 17.283 -23.897 -5.584 102 HE2 LYS 13 HE2 LYS 13 19.086 -25.000 -6.814 103 HE3 LYS 13 HE1 LYS 13 19.044 -23.722 -8.026 104 HZ1 LYS 13 HZ1 LYS 13 19.692 -22.130 -6.348 105 HZ2 LYS 13 HZ2 LYS 13 20.820 -23.397 -6.408 106 HZ3 LYS 13 HZ3 LYS 13 19.685 -23.333 -5.151 107 H GLY 14 HN GLY 14 12.057 -24.097 -9.082 108 HA2 GLY 14 HA2 GLY 14 9.770 -24.170 -8.708 109 HA3 GLY 14 HA1 GLY 14 10.068 -25.116 -7.258 110 H PHE 15 HN PHE 15 11.188 -21.892 -8.245 111 HA PHE 15 HA PHE 15 9.681 -20.731 -6.011 112 HB2 PHE 15 HB2 PHE 15 12.623 -20.239 -6.556 113 HB3 PHE 15 HB1 PHE 15 11.645 -19.314 -5.425 114 HD1 PHE 15 HD1 PHE 15 10.417 -20.788 -3.600 115 HD2 PHE 15 HD2 PHE 15 13.898 -21.957 -5.750 116 HE1 PHE 15 HE1 PHE 15 10.984 -22.379 -1.814 117 HE2 PHE 15 HE2 PHE 15 14.464 -23.553 -3.968 118 HZ PHE 15 HZ PHE 15 13.007 -23.764 -1.998 119 H GLY 16 HN GLY 16 10.568 -18.136 -6.275 120 HA2 GLY 16 HA2 GLY 16 10.576 -17.385 -9.068 121 HA3 GLY 16 HA1 GLY 16 9.108 -16.951 -8.202 122 H PHE 17 HN PHE 17 10.861 -15.084 -9.389 123 HA PHE 17 HA PHE 17 11.605 -13.620 -6.943 124 HB2 PHE 17 HB2 PHE 17 13.046 -13.523 -9.608 125 HB3 PHE 17 HB1 PHE 17 13.414 -12.516 -8.213 126 HD1 PHE 17 HD2 PHE 17 14.067 -13.760 -6.040 127 HD2 PHE 17 HD1 PHE 17 14.149 -15.521 -9.914 128 HE1 PHE 17 HE2 PHE 17 15.645 -15.465 -5.230 129 HE2 PHE 17 HE1 PHE 17 15.724 -17.229 -9.108 130 HZ PHE 17 HZ PHE 17 16.475 -17.202 -6.764 131 H ILE 18 HN ILE 18 10.739 -11.660 -6.753 132 HA ILE 18 HA ILE 18 9.649 -10.343 -9.151 133 HB ILE 18 HB ILE 18 8.313 -10.472 -6.436 134 HG12 ILE 18 HG12 ILE 18 7.429 -11.514 -9.136 135 HG13 ILE 18 HG11 ILE 18 8.008 -12.495 -7.796 136 HG21 ILE 18 HG21 ILE 18 6.517 -9.139 -7.440 137 HG22 ILE 18 HG22 ILE 18 7.473 -8.972 -8.914 138 HG23 ILE 18 HG23 ILE 18 8.047 -8.261 -7.405 139 HD11 ILE 18 HD11 ILE 18 6.086 -11.782 -6.458 140 HD12 ILE 18 HD12 ILE 18 5.596 -12.585 -7.952 141 HD13 ILE 18 HD13 ILE 18 5.505 -10.828 -7.824 142 H GLU 19 HN GLU 19 9.803 -8.050 -9.137 143 HA GLU 19 HA GLU 19 11.758 -7.079 -7.158 144 HB2 GLU 19 HB2 GLU 19 12.437 -7.307 -9.603 145 HB3 GLU 19 HB1 GLU 19 11.327 -5.986 -9.933 146 HG2 GLU 19 HG2 GLU 19 12.599 -4.488 -8.581 147 HG3 GLU 19 HG1 GLU 19 13.629 -5.802 -8.007 148 H ARG 20 HN ARG 20 10.991 -5.628 -5.770 149 HA ARG 20 HA ARG 20 8.458 -4.285 -6.324 150 HB2 ARG 20 HB2 ARG 20 10.192 -4.219 -3.843 151 HB3 ARG 20 HB1 ARG 20 8.577 -3.548 -3.986 152 HG2 ARG 20 HG2 ARG 20 7.608 -5.713 -4.159 153 HG3 ARG 20 HG1 ARG 20 9.198 -6.473 -4.303 154 HD2 ARG 20 HD2 ARG 20 8.230 -4.927 -1.895 155 HD3 ARG 20 HD1 ARG 20 8.218 -6.685 -2.032 156 HE ARG 20 HE ARG 20 10.809 -5.998 -2.532 157 HH11 ARG 20 HH11 ARG 20 8.590 -5.278 0.093 158 HH12 ARG 20 HH12 ARG 20 9.844 -5.280 1.300 159 HH21 ARG 20 HH21 ARG 20 12.453 -6.031 -0.924 160 HH22 ARG 20 HH22 ARG 20 12.026 -5.709 0.728 161 H GLU 21 HN GLU 21 8.204 -2.006 -6.130 162 HA GLU 21 HA GLU 21 10.453 -0.370 -6.870 163 HB2 GLU 21 HB2 GLU 21 8.100 0.097 -7.568 164 HB3 GLU 21 HB1 GLU 21 7.701 0.442 -5.894 165 HG2 GLU 21 HG2 GLU 21 7.992 2.509 -7.042 166 HG3 GLU 21 HG1 GLU 21 9.344 2.293 -5.933 167 H ASN 22 HN ASN 22 9.247 -1.670 -4.035 168 HA ASN 22 HA ASN 22 10.571 0.324 -2.324 169 HB2 ASN 22 HB2 ASN 22 8.107 -0.032 -1.995 170 HB3 ASN 22 HB1 ASN 22 8.452 -1.696 -1.547 171 HD21 ASN 22 HD21 ASN 22 10.484 1.024 -0.652 172 HD22 ASN 22 HD22 ASN 22 10.125 0.956 1.039 173 H GLY 23 HN GLY 23 11.631 -2.147 -3.821 174 HA2 GLY 23 HA2 GLY 23 13.666 -2.949 -2.259 175 HA3 GLY 23 HA1 GLY 23 12.350 -3.947 -1.659 176 H ASP 24 HN ASP 24 14.809 -3.685 -3.914 177 HA ASP 24 HA ASP 24 13.644 -5.178 -6.054 178 HB2 ASP 24 HB2 ASP 24 15.841 -5.180 -7.039 179 HB3 ASP 24 HB1 ASP 24 15.546 -3.591 -6.347 180 H ASP 25 HN ASP 25 13.844 -7.271 -6.594 181 HA ASP 25 HA ASP 25 14.166 -9.499 -6.478 182 HB2 ASP 25 HB2 ASP 25 16.559 -8.810 -6.397 183 HB3 ASP 25 HB1 ASP 25 16.478 -8.881 -4.640 184 H VAL 26 HN VAL 26 12.377 -10.228 -5.503 185 HA VAL 26 HA VAL 26 12.516 -10.682 -2.594 186 HB VAL 26 HB VAL 26 10.019 -10.361 -4.273 187 HG11 VAL 26 HG11 VAL 26 8.824 -10.357 -2.154 188 HG12 VAL 26 HG12 VAL 26 10.340 -10.608 -1.285 189 HG13 VAL 26 HG13 VAL 26 9.719 -11.864 -2.361 190 HG21 VAL 26 HG21 VAL 26 11.268 -8.466 -2.291 191 HG22 VAL 26 HG22 VAL 26 9.713 -8.243 -3.095 192 HG23 VAL 26 HG23 VAL 26 11.202 -8.248 -4.040 193 H PHE 27 HN PHE 27 12.238 -12.727 -1.884 194 HA PHE 27 HA PHE 27 12.409 -14.828 -3.855 195 HB2 PHE 27 HB2 PHE 27 12.387 -15.010 -0.835 196 HB3 PHE 27 HB1 PHE 27 12.847 -16.291 -1.951 197 HD1 PHE 27 HD2 PHE 27 14.859 -15.869 -3.465 198 HD2 PHE 27 HD1 PHE 27 13.970 -13.500 -0.044 199 HE1 PHE 27 HE2 PHE 27 17.190 -15.081 -3.411 200 HE2 PHE 27 HE1 PHE 27 16.298 -12.703 0.017 201 HZ PHE 27 HZ PHE 27 17.913 -13.496 -1.668 202 H VAL 28 HN VAL 28 10.577 -15.446 -4.779 203 HA VAL 28 HA VAL 28 8.066 -15.394 -3.319 204 HB VAL 28 HB VAL 28 8.624 -16.149 -6.193 205 HG11 VAL 28 HG11 VAL 28 6.022 -15.530 -4.808 206 HG12 VAL 28 HG12 VAL 28 6.545 -17.110 -5.387 207 HG13 VAL 28 HG13 VAL 28 6.227 -15.812 -6.536 208 HG21 VAL 28 HG21 VAL 28 7.732 -13.550 -4.963 209 HG22 VAL 28 HG22 VAL 28 7.691 -13.901 -6.689 210 HG23 VAL 28 HG23 VAL 28 9.233 -13.862 -5.836 211 H HIS 29 HN HIS 29 7.048 -17.114 -2.514 212 HA HIS 29 HA HIS 29 8.046 -19.801 -3.203 213 HB2 HIS 29 HB2 HIS 29 6.992 -18.765 -0.561 214 HB3 HIS 29 HB1 HIS 29 7.225 -20.474 -0.910 215 HD1 HIS 29 HD1 HIS 29 9.478 -21.408 -0.425 216 HD2 HIS 29 HD2 HIS 29 9.506 -17.250 -0.639 217 HE1 HIS 29 HE1 HIS 29 11.780 -20.702 0.310 218 HE2 HIS 29 HE2 HIS 29 11.721 -18.186 0.316 219 H PHE 30 HN PHE 30 6.206 -21.471 -2.435 220 HA PHE 30 HA PHE 30 4.085 -21.043 -4.257 221 HB2 PHE 30 HB2 PHE 30 3.228 -23.207 -3.515 222 HB3 PHE 30 HB1 PHE 30 4.964 -23.283 -3.781 223 HD1 PHE 30 HD2 PHE 30 6.505 -23.421 -1.864 224 HD2 PHE 30 HD1 PHE 30 2.281 -23.569 -1.364 225 HE1 PHE 30 HE2 PHE 30 6.807 -24.353 0.392 226 HE2 PHE 30 HE1 PHE 30 2.577 -24.498 0.893 227 HZ PHE 30 HZ PHE 30 4.842 -24.894 1.772 228 H SER 31 HN SER 31 4.483 -20.033 -1.070 229 HA SER 31 HA SER 31 1.736 -20.027 -0.274 230 HB2 SER 31 HB2 SER 31 2.706 -18.378 1.480 231 HB3 SER 31 HB1 SER 31 3.250 -20.054 1.514 232 HG SER 31 HG SER 31 4.732 -17.886 1.266 233 H ALA 32 HN ALA 32 3.646 -18.084 -2.311 234 HA ALA 32 HA ALA 32 2.064 -15.682 -2.033 235 HB1 ALA 32 HB1 ALA 32 4.442 -15.543 -2.582 236 HB2 ALA 32 HB2 ALA 32 3.447 -14.813 -3.842 237 HB3 ALA 32 HB3 ALA 32 4.145 -16.413 -4.087 238 H ILE 33 HN ILE 33 2.167 -18.507 -4.026 239 HA ILE 33 HA ILE 33 0.652 -17.599 -6.208 240 HB ILE 33 HB ILE 33 1.256 -20.322 -5.099 241 HG12 ILE 33 HG12 ILE 33 2.287 -20.595 -7.368 242 HG13 ILE 33 HG11 ILE 33 1.866 -18.924 -7.712 243 HG21 ILE 33 HG21 ILE 33 -1.031 -20.512 -5.882 244 HG22 ILE 33 HG22 ILE 33 0.065 -21.362 -6.970 245 HG23 ILE 33 HG23 ILE 33 -0.582 -19.787 -7.427 246 HD11 ILE 33 HD11 ILE 33 4.184 -19.095 -7.091 247 HD12 ILE 33 HD12 ILE 33 3.752 -19.889 -5.578 248 HD13 ILE 33 HD13 ILE 33 3.301 -18.207 -5.851 249 H GLN 34 HN GLN 34 -1.492 -17.522 -6.599 250 HA GLN 34 HA GLN 34 -3.210 -17.731 -4.236 251 HB2 GLN 34 HB2 GLN 34 -4.736 -16.209 -5.414 252 HB3 GLN 34 HB1 GLN 34 -3.135 -15.514 -5.242 253 HG2 GLN 34 HG2 GLN 34 -4.112 -16.848 -7.753 254 HG3 GLN 34 HG1 GLN 34 -4.247 -15.119 -7.440 255 HE21 GLN 34 HE21 GLN 34 -2.338 -13.871 -7.321 256 HE22 GLN 34 HE22 GLN 34 -0.875 -14.418 -8.060 257 H GLY 35 HN GLY 35 -5.622 -18.121 -4.950 258 HA2 GLY 35 HA2 GLY 35 -5.676 -20.748 -6.123 259 HA3 GLY 35 HA1 GLY 35 -7.053 -19.856 -5.497 260 H ASP 36 HN ASP 36 -8.493 -19.983 -7.115 261 HA ASP 36 HA ASP 36 -9.570 -19.356 -9.018 262 HB2 ASP 36 HB2 ASP 36 -7.058 -17.760 -9.562 263 HB3 ASP 36 HB1 ASP 36 -8.503 -17.696 -10.561 264 H GLY 37 HN GLY 37 -6.221 -20.312 -9.465 265 HA2 GLY 37 HA2 GLY 37 -6.212 -22.596 -10.679 266 HA3 GLY 37 HA1 GLY 37 -6.918 -21.655 -11.986 267 H PHE 38 HN PHE 38 -4.506 -20.320 -9.838 268 HA PHE 38 HA PHE 38 -2.728 -20.098 -12.159 269 HB2 PHE 38 HB2 PHE 38 -3.008 -18.329 -9.728 270 HB3 PHE 38 HB1 PHE 38 -1.752 -18.136 -10.946 271 HD1 PHE 38 HD1 PHE 38 -2.404 -17.554 -13.282 272 HD2 PHE 38 HD2 PHE 38 -5.177 -17.490 -10.056 273 HE1 PHE 38 HE1 PHE 38 -3.913 -16.138 -14.614 274 HE2 PHE 38 HE2 PHE 38 -6.692 -16.076 -11.381 275 HZ PHE 38 HZ PHE 38 -6.062 -15.398 -13.663 276 H LYS 39 HN LYS 39 -0.469 -20.074 -11.780 277 HA LYS 39 HA LYS 39 0.785 -20.674 -9.357 278 HB2 LYS 39 HB2 LYS 39 1.503 -22.944 -9.634 279 HB3 LYS 39 HB1 LYS 39 -0.245 -22.922 -9.741 280 HG2 LYS 39 HG2 LYS 39 0.125 -24.273 -11.489 281 HG3 LYS 39 HG1 LYS 39 0.371 -22.754 -12.351 282 HD2 LYS 39 HD2 LYS 39 2.754 -22.930 -12.108 283 HD3 LYS 39 HD1 LYS 39 2.587 -24.326 -11.040 284 HE2 LYS 39 HE2 LYS 39 1.752 -24.233 -13.937 285 HE3 LYS 39 HE1 LYS 39 3.244 -24.952 -13.334 286 HZ1 LYS 39 HZ1 LYS 39 1.494 -26.597 -13.714 287 HZ2 LYS 39 HZ2 LYS 39 0.506 -25.824 -12.572 288 HZ3 LYS 39 HZ3 LYS 39 1.960 -26.547 -12.084 289 H SER 40 HN SER 40 0.759 -20.741 -12.843 290 HA SER 40 HA SER 40 3.574 -19.986 -12.960 291 HB2 SER 40 HB2 SER 40 1.605 -20.206 -15.249 292 HB3 SER 40 HB1 SER 40 3.363 -20.215 -15.342 293 HG SER 40 HG SER 40 1.705 -22.282 -15.046 294 H LEU 41 HN LEU 41 4.160 -17.909 -12.948 295 HA LEU 41 HA LEU 41 2.087 -15.883 -13.427 296 HB2 LEU 41 HB2 LEU 41 4.696 -15.674 -11.918 297 HB3 LEU 41 HB1 LEU 41 3.595 -14.339 -12.196 298 HG LEU 41 HG LEU 41 2.964 -16.822 -10.598 299 HD11 LEU 41 HD11 LEU 41 4.568 -15.379 -9.466 300 HD12 LEU 41 HD12 LEU 41 2.994 -15.307 -8.673 301 HD13 LEU 41 HD13 LEU 41 3.513 -13.988 -9.721 302 HD21 LEU 41 HD21 LEU 41 0.982 -15.934 -11.683 303 HD22 LEU 41 HD22 LEU 41 1.355 -14.318 -11.088 304 HD23 LEU 41 HD23 LEU 41 0.933 -15.598 -9.953 305 H ASP 42 HN ASP 42 2.553 -14.106 -14.754 306 HA ASP 42 HA ASP 42 4.288 -14.810 -16.948 307 HB2 ASP 42 HB2 ASP 42 2.556 -12.356 -16.542 308 HB3 ASP 42 HB1 ASP 42 3.345 -12.818 -18.045 309 H GLU 43 HN GLU 43 6.324 -14.211 -17.117 310 HA GLU 43 HA GLU 43 7.450 -12.368 -15.244 311 HB2 GLU 43 HB2 GLU 43 9.546 -12.764 -16.835 312 HB3 GLU 43 HB1 GLU 43 9.052 -13.927 -15.622 313 HG2 GLU 43 HG2 GLU 43 9.511 -15.200 -17.503 314 HG3 GLU 43 HG1 GLU 43 7.758 -15.081 -17.488 315 H GLY 44 HN GLY 44 7.531 -10.284 -15.407 316 HA2 GLY 44 HA2 GLY 44 8.137 -8.339 -16.781 317 HA3 GLY 44 HA1 GLY 44 7.253 -9.100 -18.096 318 H GLN 45 HN GLN 45 5.232 -9.880 -15.783 319 HA GLN 45 HA GLN 45 3.639 -7.474 -16.218 320 HB2 GLN 45 HB2 GLN 45 1.744 -8.716 -15.610 321 HB3 GLN 45 HB1 GLN 45 2.741 -9.846 -16.511 322 HG2 GLN 45 HG2 GLN 45 3.523 -10.833 -14.419 323 HG3 GLN 45 HG1 GLN 45 2.534 -9.690 -13.512 324 HE21 GLN 45 HE21 GLN 45 2.430 -12.571 -13.487 325 HE22 GLN 45 HE22 GLN 45 0.834 -13.023 -13.986 326 H ALA 46 HN ALA 46 2.475 -6.448 -14.458 327 HA ALA 46 HA ALA 46 4.115 -6.337 -12.030 328 HB1 ALA 46 HB1 ALA 46 1.977 -4.429 -12.981 329 HB2 ALA 46 HB2 ALA 46 3.710 -4.225 -13.234 330 HB3 ALA 46 HB3 ALA 46 3.048 -4.196 -11.600 331 H VAL 47 HN VAL 47 3.354 -6.889 -10.068 332 HA VAL 47 HA VAL 47 0.482 -7.434 -9.774 333 HB VAL 47 HB VAL 47 0.981 -9.462 -8.434 334 HG11 VAL 47 HG11 VAL 47 1.972 -9.554 -11.282 335 HG12 VAL 47 HG12 VAL 47 0.293 -9.694 -10.757 336 HG13 VAL 47 HG13 VAL 47 1.460 -10.945 -10.328 337 HG21 VAL 47 HG21 VAL 47 3.181 -10.518 -8.606 338 HG22 VAL 47 HG22 VAL 47 3.285 -8.940 -7.828 339 HG23 VAL 47 HG23 VAL 47 3.778 -9.124 -9.508 340 H THR 48 HN THR 48 -0.176 -7.626 -7.484 341 HA THR 48 HA THR 48 1.581 -6.064 -5.701 342 HB THR 48 HB THR 48 -1.438 -6.143 -5.528 343 HG1 THR 48 HG1 THR 48 -1.268 -5.004 -7.341 344 HG21 THR 48 HG21 THR 48 -0.259 -5.470 -3.490 345 HG22 THR 48 HG22 THR 48 -1.129 -4.105 -4.194 346 HG23 THR 48 HG23 THR 48 0.619 -4.240 -4.396 347 H PHE 49 HN PHE 49 2.016 -6.983 -3.739 348 HA PHE 49 HA PHE 49 0.338 -9.133 -2.746 349 HB2 PHE 49 HB2 PHE 49 2.267 -10.687 -2.508 350 HB3 PHE 49 HB1 PHE 49 1.837 -10.370 -4.182 351 HD1 PHE 49 HD2 PHE 49 3.305 -9.017 -5.602 352 HD2 PHE 49 HD1 PHE 49 4.376 -10.014 -1.607 353 HE1 PHE 49 HE2 PHE 49 5.638 -8.402 -6.077 354 HE2 PHE 49 HE1 PHE 49 6.711 -9.406 -2.076 355 HZ PHE 49 HZ PHE 49 7.346 -8.599 -4.313 356 H ASP 50 HN ASP 50 1.570 -10.051 -0.638 357 HA ASP 50 HA ASP 50 2.875 -7.722 0.627 358 HB2 ASP 50 HB2 ASP 50 2.008 -8.290 2.768 359 HB3 ASP 50 HB1 ASP 50 0.650 -8.273 1.655 360 H VAL 51 HN VAL 51 4.450 -8.383 2.394 361 HA VAL 51 HA VAL 51 5.850 -10.794 1.479 362 HB VAL 51 HB VAL 51 6.761 -8.716 0.402 363 HG11 VAL 51 HG11 VAL 51 6.484 -7.178 2.272 364 HG12 VAL 51 HG12 VAL 51 8.157 -7.219 1.718 365 HG13 VAL 51 HG13 VAL 51 7.697 -8.070 3.192 366 HG21 VAL 51 HG21 VAL 51 8.107 -10.734 0.603 367 HG22 VAL 51 HG22 VAL 51 8.655 -10.220 2.199 368 HG23 VAL 51 HG23 VAL 51 9.102 -9.289 0.769 369 H GLU 52 HN GLU 52 6.869 -11.973 2.999 370 HA GLU 52 HA GLU 52 6.801 -10.957 5.749 371 HB2 GLU 52 HB2 GLU 52 7.150 -13.764 4.682 372 HB3 GLU 52 HB1 GLU 52 7.244 -13.332 6.383 373 HG2 GLU 52 HG2 GLU 52 4.917 -12.486 6.242 374 HG3 GLU 52 HG1 GLU 52 4.845 -13.086 4.585 375 H GLU 53 HN GLU 53 8.591 -9.796 6.044 376 HA GLU 53 HA GLU 53 11.143 -10.647 4.970 377 HB2 GLU 53 HB2 GLU 53 10.472 -8.312 6.779 378 HB3 GLU 53 HB1 GLU 53 11.989 -8.556 5.922 379 HG2 GLU 53 HG2 GLU 53 10.895 -8.293 3.800 380 HG3 GLU 53 HG1 GLU 53 9.319 -8.220 4.583 381 H GLY 54 HN GLY 54 12.504 -11.940 6.038 382 HA2 GLY 54 HA2 GLY 54 11.954 -12.363 8.909 383 HA3 GLY 54 HA1 GLY 54 12.322 -13.677 7.804 384 H GLN 55 HN GLN 55 14.013 -14.346 9.077 385 HA GLN 55 HA GLN 55 16.089 -12.565 9.949 386 HB2 GLN 55 HB2 GLN 55 17.048 -14.645 10.922 387 HB3 GLN 55 HB1 GLN 55 15.377 -14.356 11.392 388 HG2 GLN 55 HG2 GLN 55 14.677 -15.943 9.591 389 HG3 GLN 55 HG1 GLN 55 16.379 -16.320 9.342 390 HE21 GLN 55 HE21 GLN 55 16.102 -18.470 9.901 391 HE22 GLN 55 HE22 GLN 55 15.822 -18.977 11.533 392 H ARG 56 HN ARG 56 15.705 -13.159 6.992 393 HA ARG 56 HA ARG 56 18.510 -13.390 6.381 394 HB2 ARG 56 HB2 ARG 56 18.049 -15.735 6.371 395 HB3 ARG 56 HB1 ARG 56 16.555 -15.505 5.468 396 HG2 ARG 56 HG2 ARG 56 17.816 -14.829 3.508 397 HG3 ARG 56 HG1 ARG 56 19.325 -14.974 4.408 398 HD2 ARG 56 HD2 ARG 56 17.448 -17.293 4.104 399 HD3 ARG 56 HD1 ARG 56 18.642 -16.906 2.867 400 HE ARG 56 HE ARG 56 19.882 -17.050 5.412 401 HH11 ARG 56 HH11 ARG 56 18.395 -19.113 3.013 402 HH12 ARG 56 HH12 ARG 56 19.470 -20.449 3.291 403 HH21 ARG 56 HH21 ARG 56 21.300 -18.823 5.815 404 HH22 ARG 56 HH22 ARG 56 21.140 -20.276 4.870 405 H GLY 57 HN GLY 57 15.275 -13.547 4.913 406 HA2 GLY 57 HA2 GLY 57 15.797 -11.122 3.444 407 HA3 GLY 57 HA1 GLY 57 15.719 -12.565 2.440 408 HA PRO 58 HA PRO 58 11.378 -11.135 3.257 409 HB2 PRO 58 HB2 PRO 58 10.826 -9.770 1.020 410 HB3 PRO 58 HB1 PRO 58 11.669 -9.020 2.377 411 HG2 PRO 58 HG2 PRO 58 12.741 -9.956 -0.230 412 HG3 PRO 58 HG1 PRO 58 13.267 -8.604 0.786 413 HD2 PRO 58 HD2 PRO 58 14.447 -11.161 0.643 414 HD3 PRO 58 HD1 PRO 58 14.789 -9.902 1.846 415 H GLN 59 HN GLN 59 10.063 -12.822 2.946 416 HA GLN 59 HA GLN 59 10.162 -14.277 0.395 417 HB2 GLN 59 HB2 GLN 59 8.745 -15.019 2.964 418 HB3 GLN 59 HB1 GLN 59 8.936 -16.042 1.548 419 HG2 GLN 59 HG2 GLN 59 11.366 -16.040 1.893 420 HG3 GLN 59 HG1 GLN 59 11.145 -15.048 3.333 421 HE21 GLN 59 HE21 GLN 59 12.331 -17.686 3.091 422 HE22 GLN 59 HE22 GLN 59 11.412 -18.727 4.116 423 H ALA 60 HN ALA 60 8.471 -14.246 -1.009 424 HA ALA 60 HA ALA 60 6.436 -12.255 -0.572 425 HB1 ALA 60 HB1 ALA 60 6.773 -14.133 -2.902 426 HB2 ALA 60 HB2 ALA 60 7.513 -12.539 -2.764 427 HB3 ALA 60 HB3 ALA 60 5.758 -12.692 -2.848 428 H ALA 61 HN ALA 61 4.341 -12.527 -0.094 429 HA ALA 61 HA ALA 61 3.191 -15.224 -0.126 430 HB1 ALA 61 HB1 ALA 61 3.069 -13.380 2.257 431 HB2 ALA 61 HB2 ALA 61 4.043 -14.848 2.151 432 HB3 ALA 61 HB3 ALA 61 2.283 -14.950 2.111 433 H ASN 62 HN ASN 62 1.050 -15.252 -0.659 434 HA ASN 62 HA ASN 62 -0.932 -14.538 -1.477 435 HB2 ASN 62 HB2 ASN 62 -1.588 -14.027 0.689 436 HB3 ASN 62 HB1 ASN 62 -0.442 -12.701 0.837 437 HD21 ASN 62 HD21 ASN 62 -1.055 -10.705 0.350 438 HD22 ASN 62 HD22 ASN 62 -2.627 -10.270 -0.231 439 H VAL 63 HN VAL 63 -0.567 -14.019 -3.542 440 HA VAL 63 HA VAL 63 0.164 -11.244 -4.167 441 HB VAL 63 HB VAL 63 0.221 -13.676 -5.963 442 HG11 VAL 63 HG11 VAL 63 1.316 -12.241 -7.591 443 HG12 VAL 63 HG12 VAL 63 1.164 -10.861 -6.502 444 HG13 VAL 63 HG13 VAL 63 -0.281 -11.610 -7.186 445 HG21 VAL 63 HG21 VAL 63 1.975 -13.728 -4.265 446 HG22 VAL 63 HG22 VAL 63 2.483 -12.103 -4.729 447 HG23 VAL 63 HG23 VAL 63 2.648 -13.438 -5.868 448 H GLN 64 HN GLN 64 -1.425 -9.947 -4.678 449 HA GLN 64 HA GLN 64 -3.890 -11.023 -5.849 450 HB2 GLN 64 HB2 GLN 64 -4.146 -9.587 -3.863 451 HB3 GLN 64 HB1 GLN 64 -3.298 -8.288 -4.687 452 HG2 GLN 64 HG2 GLN 64 -5.089 -8.213 -6.365 453 HG3 GLN 64 HG1 GLN 64 -5.945 -9.473 -5.480 454 HE21 GLN 64 HE21 GLN 64 -5.158 -8.395 -2.877 455 HE22 GLN 64 HE22 GLN 64 -6.145 -6.994 -2.633 456 H LYS 65 HN LYS 65 -4.516 -10.473 -7.892 457 HA LYS 65 HA LYS 65 -2.515 -9.715 -9.720 458 HB2 LYS 65 HB2 LYS 65 -4.551 -11.145 -10.181 459 HB3 LYS 65 HB1 LYS 65 -5.492 -9.660 -10.217 460 HG2 LYS 65 HG2 LYS 65 -4.943 -10.343 -12.462 461 HG3 LYS 65 HG1 LYS 65 -4.095 -8.844 -12.071 462 HD2 LYS 65 HD2 LYS 65 -2.067 -10.125 -11.581 463 HD3 LYS 65 HD1 LYS 65 -2.915 -11.619 -11.988 464 HE2 LYS 65 HE2 LYS 65 -2.375 -9.308 -13.851 465 HE3 LYS 65 HE1 LYS 65 -1.530 -10.856 -13.843 466 HZ1 LYS 65 HZ1 LYS 65 -3.256 -10.699 -15.564 467 HZ2 LYS 65 HZ2 LYS 65 -4.438 -10.525 -14.360 468 HZ3 LYS 65 HZ3 LYS 65 -3.543 -11.966 -14.472 469 H ALA 66 HN ALA 66 -1.826 -7.768 -10.308 470 HA ALA 66 HA ALA 66 -3.240 -5.413 -9.354 471 HB1 ALA 66 HB1 ALA 66 -0.799 -5.594 -9.010 472 HB2 ALA 66 HB2 ALA 66 -1.245 -4.179 -9.963 473 HB3 ALA 66 HB3 ALA 66 -0.571 -5.603 -10.758 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 1.988 -5.071 1.893 2 H2 MET 1 HT2 MET 1 3.585 -4.875 1.352 3 H3 MET 1 HT3 MET 1 2.416 -5.537 0.318 4 HA MET 1 HA MET 1 1.206 -3.441 0.318 5 HB2 MET 1 HB2 MET 1 3.613 -2.398 1.828 6 HB3 MET 1 HB1 MET 1 2.229 -1.457 1.292 7 HG2 MET 1 HG2 MET 1 2.252 -3.603 3.395 8 HG3 MET 1 HG1 MET 1 2.056 -1.869 3.645 9 HE1 MET 1 HE1 MET 1 -1.482 -3.270 4.563 10 HE2 MET 1 HE2 MET 1 -0.130 -2.263 5.095 11 HE3 MET 1 HE3 MET 1 0.089 -4.003 4.895 12 H GLU 2 HN GLU 2 3.950 -4.939 -0.654 13 HA GLU 2 HA GLU 2 5.081 -2.741 -2.184 14 HB2 GLU 2 HB2 GLU 2 5.978 -5.609 -1.861 15 HB3 GLU 2 HB1 GLU 2 6.861 -4.363 -2.733 16 HG2 GLU 2 HG2 GLU 2 6.276 -4.452 0.215 17 HG3 GLU 2 HG1 GLU 2 7.842 -4.637 -0.576 18 H GLN 3 HN GLN 3 4.131 -2.322 -4.090 19 HA GLN 3 HA GLN 3 3.368 -4.609 -5.775 20 HB2 GLN 3 HB2 GLN 3 1.630 -2.877 -5.429 21 HB3 GLN 3 HB1 GLN 3 2.704 -1.675 -6.131 22 HG2 GLN 3 HG2 GLN 3 2.684 -2.887 -8.248 23 HG3 GLN 3 HG1 GLN 3 1.612 -4.098 -7.546 24 HE21 GLN 3 HE21 GLN 3 -0.507 -3.519 -7.034 25 HE22 GLN 3 HE22 GLN 3 -1.276 -2.158 -7.786 26 H GLY 4 HN GLY 4 4.794 -5.215 -7.277 27 HA2 GLY 4 HA2 GLY 4 6.552 -3.205 -8.468 28 HA3 GLY 4 HA1 GLY 4 7.312 -4.501 -7.561 29 H THR 5 HN THR 5 8.265 -4.561 -9.853 30 HA THR 5 HA THR 5 6.563 -5.936 -11.777 31 HB THR 5 HB THR 5 9.417 -5.001 -12.115 32 HG1 THR 5 HG1 THR 5 6.934 -3.659 -12.488 33 HG21 THR 5 HG21 THR 5 8.673 -6.648 -13.770 34 HG22 THR 5 HG22 THR 5 8.883 -5.061 -14.508 35 HG23 THR 5 HG23 THR 5 7.264 -5.654 -14.137 36 H VAL 6 HN VAL 6 6.633 -8.072 -12.071 37 HA VAL 6 HA VAL 6 8.364 -9.778 -10.595 38 HB VAL 6 HB VAL 6 6.737 -10.472 -13.049 39 HG11 VAL 6 HG11 VAL 6 8.416 -12.147 -12.509 40 HG12 VAL 6 HG12 VAL 6 6.792 -12.756 -12.177 41 HG13 VAL 6 HG13 VAL 6 7.826 -12.221 -10.848 42 HG21 VAL 6 HG21 VAL 6 5.020 -11.250 -11.449 43 HG22 VAL 6 HG22 VAL 6 5.285 -9.506 -11.382 44 HG23 VAL 6 HG23 VAL 6 5.968 -10.551 -10.135 45 H LYS 7 HN LYS 7 10.411 -10.348 -11.045 46 HA LYS 7 HA LYS 7 11.598 -9.554 -13.549 47 HB2 LYS 7 HB2 LYS 7 12.773 -9.446 -11.308 48 HB3 LYS 7 HB1 LYS 7 12.873 -11.199 -11.359 49 HG2 LYS 7 HG2 LYS 7 14.954 -10.250 -12.098 50 HG3 LYS 7 HG1 LYS 7 14.153 -11.036 -13.461 51 HD2 LYS 7 HD2 LYS 7 15.065 -8.913 -14.175 52 HD3 LYS 7 HD1 LYS 7 13.304 -8.833 -14.191 53 HE2 LYS 7 HE2 LYS 7 13.374 -7.722 -11.978 54 HE3 LYS 7 HE1 LYS 7 15.134 -7.728 -12.058 55 HZ1 LYS 7 HZ1 LYS 7 13.297 -6.327 -13.929 56 HZ2 LYS 7 HZ2 LYS 7 14.983 -6.373 -14.083 57 HZ3 LYS 7 HZ3 LYS 7 14.273 -5.594 -12.749 58 H TRP 8 HN TRP 8 11.286 -12.641 -11.794 59 HA TRP 8 HA TRP 8 10.145 -14.025 -13.947 60 HB2 TRP 8 HB2 TRP 8 12.530 -13.739 -14.828 61 HB3 TRP 8 HB1 TRP 8 13.031 -14.824 -13.534 62 HD1 TRP 8 HD1 TRP 8 10.462 -14.898 -16.452 63 HE1 TRP 8 HE1 TRP 8 10.406 -17.290 -17.408 64 HE3 TRP 8 HE3 TRP 8 13.802 -17.107 -13.278 65 HZ2 TRP 8 HZ2 TRP 8 11.634 -19.775 -16.890 66 HZ3 TRP 8 HZ3 TRP 8 14.310 -19.495 -13.580 67 HH2 TRP 8 HH2 TRP 8 13.248 -20.802 -15.348 68 H PHE 9 HN PHE 9 9.747 -16.257 -13.424 69 HA PHE 9 HA PHE 9 9.985 -16.731 -10.538 70 HB2 PHE 9 HB2 PHE 9 7.990 -18.194 -10.790 71 HB3 PHE 9 HB1 PHE 9 7.678 -16.525 -11.243 72 HD1 PHE 9 HD1 PHE 9 7.908 -16.004 -13.818 73 HD2 PHE 9 HD2 PHE 9 7.289 -19.887 -12.182 74 HE1 PHE 9 HE1 PHE 9 7.018 -16.772 -15.979 75 HE2 PHE 9 HE2 PHE 9 6.397 -20.655 -14.342 76 HZ PHE 9 HZ PHE 9 6.265 -19.099 -16.244 77 H ASN 10 HN ASN 10 11.727 -17.956 -10.191 78 HA ASN 10 HA ASN 10 12.573 -19.924 -12.103 79 HB2 ASN 10 HB2 ASN 10 14.378 -20.390 -10.423 80 HB3 ASN 10 HB1 ASN 10 14.306 -18.723 -10.984 81 HD21 ASN 10 HD21 ASN 10 14.315 -20.770 -8.302 82 HD22 ASN 10 HD22 ASN 10 13.998 -19.582 -7.093 83 H ALA 11 HN ALA 11 10.610 -21.140 -12.076 84 HA ALA 11 HA ALA 11 9.677 -22.591 -9.846 85 HB1 ALA 11 HB1 ALA 11 8.329 -22.207 -11.854 86 HB2 ALA 11 HB2 ALA 11 8.430 -23.923 -11.461 87 HB3 ALA 11 HB3 ALA 11 9.399 -23.261 -12.775 88 H GLU 12 HN GLU 12 12.407 -22.982 -11.807 89 HA GLU 12 HA GLU 12 12.879 -25.718 -11.741 90 HB2 GLU 12 HB2 GLU 12 14.957 -23.541 -11.480 91 HB3 GLU 12 HB1 GLU 12 15.204 -25.167 -12.100 92 HG2 GLU 12 HG2 GLU 12 13.495 -23.041 -13.376 93 HG3 GLU 12 HG1 GLU 12 15.111 -23.519 -13.895 94 H LYS 13 HN LYS 13 13.389 -23.238 -9.306 95 HA LYS 13 HA LYS 13 14.149 -25.340 -7.393 96 HB2 LYS 13 HB2 LYS 13 14.678 -22.362 -7.266 97 HB3 LYS 13 HB1 LYS 13 15.103 -23.518 -6.008 98 HG2 LYS 13 HG2 LYS 13 16.560 -24.690 -7.615 99 HG3 LYS 13 HG1 LYS 13 16.181 -23.461 -8.822 100 HD2 LYS 13 HD2 LYS 13 18.311 -22.966 -7.791 101 HD3 LYS 13 HD1 LYS 13 17.128 -21.744 -7.329 102 HE2 LYS 13 HE2 LYS 13 16.845 -22.742 -5.170 103 HE3 LYS 13 HE1 LYS 13 17.833 -24.128 -5.627 104 HZ1 LYS 13 HZ1 LYS 13 19.030 -22.513 -4.248 105 HZ2 LYS 13 HZ2 LYS 13 18.823 -21.329 -5.444 106 HZ3 LYS 13 HZ3 LYS 13 19.751 -22.711 -5.766 107 H GLY 14 HN GLY 14 11.668 -23.315 -8.361 108 HA2 GLY 14 HA2 GLY 14 9.479 -23.471 -7.544 109 HA3 GLY 14 HA1 GLY 14 10.110 -24.114 -6.038 110 H PHE 15 HN PHE 15 11.177 -21.138 -7.623 111 HA PHE 15 HA PHE 15 9.862 -19.580 -5.517 112 HB2 PHE 15 HB2 PHE 15 12.814 -19.401 -6.182 113 HB3 PHE 15 HB1 PHE 15 11.947 -18.279 -5.137 114 HD1 PHE 15 HD1 PHE 15 10.865 -19.221 -3.033 115 HD2 PHE 15 HD2 PHE 15 13.761 -21.339 -5.321 116 HE1 PHE 15 HE1 PHE 15 11.343 -20.657 -1.093 117 HE2 PHE 15 HE2 PHE 15 14.244 -22.776 -3.386 118 HZ PHE 15 HZ PHE 15 13.035 -22.436 -1.269 119 H GLY 16 HN GLY 16 10.663 -17.115 -6.035 120 HA2 GLY 16 HA2 GLY 16 10.952 -16.641 -8.881 121 HA3 GLY 16 HA1 GLY 16 9.429 -16.094 -8.185 122 H PHE 17 HN PHE 17 11.548 -14.488 -9.374 123 HA PHE 17 HA PHE 17 12.365 -12.946 -7.002 124 HB2 PHE 17 HB2 PHE 17 13.622 -12.998 -9.752 125 HB3 PHE 17 HB1 PHE 17 14.146 -11.982 -8.413 126 HD1 PHE 17 HD2 PHE 17 14.576 -13.383 -6.170 127 HD2 PHE 17 HD1 PHE 17 14.819 -14.906 -10.135 128 HE1 PHE 17 HE2 PHE 17 16.053 -15.182 -5.381 129 HE2 PHE 17 HE1 PHE 17 16.299 -16.709 -9.355 130 HZ PHE 17 HZ PHE 17 16.919 -16.849 -6.975 131 H ILE 18 HN ILE 18 11.696 -10.925 -6.784 132 HA ILE 18 HA ILE 18 10.482 -9.559 -9.090 133 HB ILE 18 HB ILE 18 9.387 -9.673 -6.273 134 HG12 ILE 18 HG12 ILE 18 8.233 -10.477 -8.950 135 HG13 ILE 18 HG11 ILE 18 8.768 -11.568 -7.676 136 HG21 ILE 18 HG21 ILE 18 9.246 -7.384 -7.071 137 HG22 ILE 18 HG22 ILE 18 7.642 -8.120 -7.028 138 HG23 ILE 18 HG23 ILE 18 8.486 -7.933 -8.566 139 HD11 ILE 18 HD11 ILE 18 7.002 -10.741 -6.221 140 HD12 ILE 18 HD12 ILE 18 6.354 -11.388 -7.727 141 HD13 ILE 18 HD13 ILE 18 6.469 -9.643 -7.493 142 H GLU 19 HN GLU 19 10.880 -7.377 -9.216 143 HA GLU 19 HA GLU 19 13.009 -6.420 -7.431 144 HB2 GLU 19 HB2 GLU 19 13.623 -6.590 -9.784 145 HB3 GLU 19 HB1 GLU 19 12.246 -5.600 -10.241 146 HG2 GLU 19 HG2 GLU 19 13.204 -3.674 -9.211 147 HG3 GLU 19 HG1 GLU 19 14.506 -4.636 -8.510 148 H ARG 20 HN ARG 20 12.444 -4.946 -5.960 149 HA ARG 20 HA ARG 20 10.028 -3.353 -6.474 150 HB2 ARG 20 HB2 ARG 20 11.106 -4.638 -4.029 151 HB3 ARG 20 HB1 ARG 20 10.288 -3.094 -3.832 152 HG2 ARG 20 HG2 ARG 20 9.098 -5.491 -5.206 153 HG3 ARG 20 HG1 ARG 20 8.805 -5.042 -3.522 154 HD2 ARG 20 HD2 ARG 20 8.198 -3.331 -5.934 155 HD3 ARG 20 HD1 ARG 20 7.014 -4.253 -5.008 156 HE ARG 20 HE ARG 20 7.831 -2.787 -3.063 157 HH11 ARG 20 HH11 ARG 20 7.734 -1.714 -6.397 158 HH12 ARG 20 HH12 ARG 20 7.406 -0.053 -5.982 159 HH21 ARG 20 HH21 ARG 20 7.418 -0.641 -2.509 160 HH22 ARG 20 HH22 ARG 20 7.234 0.555 -3.761 161 H GLU 21 HN GLU 21 10.079 -1.351 -4.898 162 HA GLU 21 HA GLU 21 12.034 0.349 -6.100 163 HB2 GLU 21 HB2 GLU 21 9.656 0.963 -5.778 164 HB3 GLU 21 HB1 GLU 21 9.914 0.968 -4.041 165 HG2 GLU 21 HG2 GLU 21 11.445 2.813 -4.232 166 HG3 GLU 21 HG1 GLU 21 11.322 2.769 -5.991 167 H ASN 22 HN ASN 22 11.305 -0.656 -2.770 168 HA ASN 22 HA ASN 22 13.595 0.860 -1.786 169 HB2 ASN 22 HB2 ASN 22 11.357 0.923 -0.632 170 HB3 ASN 22 HB1 ASN 22 11.589 -0.768 -0.209 171 HD21 ASN 22 HD21 ASN 22 12.939 -1.300 1.456 172 HD22 ASN 22 HD22 ASN 22 13.713 -0.124 2.473 173 H GLY 23 HN GLY 23 12.784 -2.297 -2.754 174 HA2 GLY 23 HA2 GLY 23 15.430 -3.219 -1.998 175 HA3 GLY 23 HA1 GLY 23 14.089 -4.101 -1.284 176 H ASP 24 HN ASP 24 16.268 -4.427 -3.565 177 HA ASP 24 HA ASP 24 14.410 -5.612 -5.515 178 HB2 ASP 24 HB2 ASP 24 16.275 -5.601 -7.109 179 HB3 ASP 24 HB1 ASP 24 15.971 -3.983 -6.491 180 H ASP 25 HN ASP 25 15.304 -7.653 -6.558 181 HA ASP 25 HA ASP 25 15.770 -9.863 -6.351 182 HB2 ASP 25 HB2 ASP 25 18.077 -8.836 -5.829 183 HB3 ASP 25 HB1 ASP 25 17.715 -9.186 -4.143 184 H VAL 26 HN VAL 26 13.500 -9.330 -5.237 185 HA VAL 26 HA VAL 26 13.454 -10.235 -2.464 186 HB VAL 26 HB VAL 26 11.136 -9.429 -4.232 187 HG11 VAL 26 HG11 VAL 26 11.345 -9.810 -1.249 188 HG12 VAL 26 HG12 VAL 26 10.430 -10.809 -2.378 189 HG13 VAL 26 HG13 VAL 26 9.949 -9.138 -2.088 190 HG21 VAL 26 HG21 VAL 26 12.651 -7.797 -2.198 191 HG22 VAL 26 HG22 VAL 26 11.201 -7.285 -3.062 192 HG23 VAL 26 HG23 VAL 26 12.697 -7.577 -3.948 193 H PHE 27 HN PHE 27 12.826 -12.229 -1.835 194 HA PHE 27 HA PHE 27 12.502 -14.241 -3.911 195 HB2 PHE 27 HB2 PHE 27 12.704 -14.595 -0.913 196 HB3 PHE 27 HB1 PHE 27 12.840 -15.861 -2.124 197 HD1 PHE 27 HD2 PHE 27 14.820 -15.888 -3.651 198 HD2 PHE 27 HD1 PHE 27 14.560 -13.288 -0.291 199 HE1 PHE 27 HE2 PHE 27 17.256 -15.550 -3.724 200 HE2 PHE 27 HE1 PHE 27 16.996 -12.950 -0.359 201 HZ PHE 27 HZ PHE 27 18.346 -14.082 -2.077 202 H VAL 28 HN VAL 28 10.518 -14.770 -4.593 203 HA VAL 28 HA VAL 28 8.313 -14.668 -2.645 204 HB VAL 28 HB VAL 28 6.758 -14.454 -4.390 205 HG11 VAL 28 HG11 VAL 28 7.557 -12.537 -5.726 206 HG12 VAL 28 HG12 VAL 28 9.196 -12.861 -5.155 207 HG13 VAL 28 HG13 VAL 28 7.939 -12.397 -4.010 208 HG21 VAL 28 HG21 VAL 28 7.624 -16.201 -5.864 209 HG22 VAL 28 HG22 VAL 28 8.923 -15.126 -6.379 210 HG23 VAL 28 HG23 VAL 28 7.245 -14.730 -6.761 211 H HIS 29 HN HIS 29 6.885 -16.457 -2.482 212 HA HIS 29 HA HIS 29 7.948 -18.965 -3.581 213 HB2 HIS 29 HB2 HIS 29 7.326 -20.108 -1.443 214 HB3 HIS 29 HB1 HIS 29 8.652 -18.965 -1.286 215 HD1 HIS 29 HD1 HIS 29 5.405 -19.831 0.140 216 HD2 HIS 29 HD2 HIS 29 7.847 -16.466 -0.014 217 HE1 HIS 29 HE1 HIS 29 4.595 -18.319 1.973 218 HE2 HIS 29 HE2 HIS 29 6.253 -16.429 2.026 219 H PHE 30 HN PHE 30 6.493 -20.510 -4.171 220 HA PHE 30 HA PHE 30 4.201 -19.593 -5.403 221 HB2 PHE 30 HB2 PHE 30 5.385 -21.599 -6.101 222 HB3 PHE 30 HB1 PHE 30 4.904 -22.425 -4.624 223 HD1 PHE 30 HD1 PHE 30 3.557 -20.864 -7.713 224 HD2 PHE 30 HD2 PHE 30 2.901 -23.620 -4.534 225 HE1 PHE 30 HE1 PHE 30 1.540 -21.695 -8.852 226 HE2 PHE 30 HE2 PHE 30 0.882 -24.450 -5.666 227 HZ PHE 30 HZ PHE 30 0.202 -23.490 -7.829 228 H SER 31 HN SER 31 4.489 -21.033 -2.205 229 HA SER 31 HA SER 31 1.759 -21.630 -1.839 230 HB2 SER 31 HB2 SER 31 2.514 -21.512 0.662 231 HB3 SER 31 HB1 SER 31 3.181 -22.760 -0.392 232 HG SER 31 HG SER 31 5.066 -21.955 0.013 233 H ALA 32 HN ALA 32 3.284 -18.619 -1.984 234 HA ALA 32 HA ALA 32 1.417 -17.297 -0.172 235 HB1 ALA 32 HB1 ALA 32 3.749 -16.554 -0.228 236 HB2 ALA 32 HB2 ALA 32 2.650 -15.257 -0.712 237 HB3 ALA 32 HB3 ALA 32 3.573 -16.135 -1.933 238 H ILE 33 HN ILE 33 1.521 -18.294 -3.372 239 HA ILE 33 HA ILE 33 0.031 -16.091 -4.504 240 HB ILE 33 HB ILE 33 1.052 -18.697 -5.630 241 HG12 ILE 33 HG12 ILE 33 2.157 -17.112 -7.254 242 HG13 ILE 33 HG11 ILE 33 1.576 -15.786 -6.255 243 HG21 ILE 33 HG21 ILE 33 -0.737 -16.744 -7.069 244 HG22 ILE 33 HG22 ILE 33 -1.162 -18.383 -6.583 245 HG23 ILE 33 HG23 ILE 33 0.085 -18.122 -7.797 246 HD11 ILE 33 HD11 ILE 33 3.474 -17.959 -5.401 247 HD12 ILE 33 HD12 ILE 33 2.876 -16.657 -4.372 248 HD13 ILE 33 HD13 ILE 33 3.887 -16.286 -5.767 249 H GLN 34 HN GLN 34 -2.120 -15.988 -4.755 250 HA GLN 34 HA GLN 34 -3.789 -18.043 -3.597 251 HB2 GLN 34 HB2 GLN 34 -5.649 -16.494 -4.165 252 HB3 GLN 34 HB1 GLN 34 -4.392 -15.731 -3.197 253 HG2 GLN 34 HG2 GLN 34 -3.471 -14.699 -5.220 254 HG3 GLN 34 HG1 GLN 34 -4.740 -15.462 -6.177 255 HE21 GLN 34 HE21 GLN 34 -4.095 -12.628 -5.769 256 HE22 GLN 34 HE22 GLN 34 -5.541 -11.897 -5.175 257 H GLY 35 HN GLY 35 -5.557 -19.058 -4.774 258 HA2 GLY 35 HA2 GLY 35 -4.637 -19.759 -7.463 259 HA3 GLY 35 HA1 GLY 35 -5.706 -20.724 -6.462 260 H ASP 36 HN ASP 36 -7.210 -20.994 -8.062 261 HA ASP 36 HA ASP 36 -9.104 -20.591 -9.229 262 HB2 ASP 36 HB2 ASP 36 -9.998 -19.425 -7.312 263 HB3 ASP 36 HB1 ASP 36 -9.098 -17.969 -7.725 264 H GLY 37 HN GLY 37 -8.362 -20.629 -11.248 265 HA2 GLY 37 HA2 GLY 37 -8.237 -19.673 -13.369 266 HA3 GLY 37 HA1 GLY 37 -8.166 -18.084 -12.629 267 H PHE 38 HN PHE 38 -6.053 -17.823 -11.247 268 HA PHE 38 HA PHE 38 -3.849 -18.664 -13.008 269 HB2 PHE 38 HB2 PHE 38 -4.305 -16.056 -11.568 270 HB3 PHE 38 HB1 PHE 38 -2.733 -16.518 -12.210 271 HD1 PHE 38 HD1 PHE 38 -2.377 -16.686 -14.616 272 HD2 PHE 38 HD2 PHE 38 -6.094 -15.381 -13.009 273 HE1 PHE 38 HE1 PHE 38 -3.010 -15.795 -16.820 274 HE2 PHE 38 HE2 PHE 38 -6.734 -14.486 -15.209 275 HZ PHE 38 HZ PHE 38 -5.192 -14.692 -17.118 276 H LYS 39 HN LYS 39 -1.940 -19.262 -12.131 277 HA LYS 39 HA LYS 39 -1.457 -19.022 -9.287 278 HB2 LYS 39 HB2 LYS 39 -0.755 -21.480 -9.206 279 HB3 LYS 39 HB1 LYS 39 -2.481 -21.152 -9.206 280 HG2 LYS 39 HG2 LYS 39 -2.322 -22.903 -10.689 281 HG3 LYS 39 HG1 LYS 39 -2.296 -21.513 -11.769 282 HD2 LYS 39 HD2 LYS 39 0.165 -21.655 -11.849 283 HD3 LYS 39 HD1 LYS 39 0.096 -23.087 -10.817 284 HE2 LYS 39 HE2 LYS 39 -1.320 -24.180 -12.546 285 HE3 LYS 39 HE1 LYS 39 -1.059 -22.782 -13.586 286 HZ1 LYS 39 HZ1 LYS 39 1.054 -24.584 -12.533 287 HZ2 LYS 39 HZ2 LYS 39 1.320 -23.233 -13.522 288 HZ3 LYS 39 HZ3 LYS 39 0.463 -24.566 -14.122 289 H SER 40 HN SER 40 -0.520 -18.053 -11.913 290 HA SER 40 HA SER 40 2.314 -18.750 -11.691 291 HB2 SER 40 HB2 SER 40 0.864 -18.392 -14.325 292 HB3 SER 40 HB1 SER 40 2.527 -18.932 -14.084 293 HG SER 40 HG SER 40 1.771 -20.881 -13.965 294 H LEU 41 HN LEU 41 3.719 -17.059 -12.492 295 HA LEU 41 HA LEU 41 2.416 -14.423 -12.454 296 HB2 LEU 41 HB2 LEU 41 5.239 -15.192 -11.694 297 HB3 LEU 41 HB1 LEU 41 4.619 -13.552 -11.713 298 HG LEU 41 HG LEU 41 3.607 -15.768 -9.931 299 HD11 LEU 41 HD11 LEU 41 5.338 -13.383 -9.290 300 HD12 LEU 41 HD12 LEU 41 5.870 -15.063 -9.336 301 HD13 LEU 41 HD13 LEU 41 4.698 -14.542 -8.126 302 HD21 LEU 41 HD21 LEU 41 1.868 -14.158 -10.460 303 HD22 LEU 41 HD22 LEU 41 2.939 -12.828 -10.026 304 HD23 LEU 41 HD23 LEU 41 2.396 -13.960 -8.790 305 H ASP 42 HN ASP 42 2.634 -13.113 -14.163 306 HA ASP 42 HA ASP 42 4.115 -14.014 -16.473 307 HB2 ASP 42 HB2 ASP 42 2.495 -11.499 -15.997 308 HB3 ASP 42 HB1 ASP 42 3.242 -11.922 -17.531 309 H GLU 43 HN GLU 43 6.121 -13.477 -16.933 310 HA GLU 43 HA GLU 43 7.654 -11.863 -15.160 311 HB2 GLU 43 HB2 GLU 43 9.504 -12.251 -16.820 312 HB3 GLU 43 HB1 GLU 43 8.764 -13.712 -16.191 313 HG2 GLU 43 HG2 GLU 43 7.970 -12.518 -18.829 314 HG3 GLU 43 HG1 GLU 43 9.308 -13.652 -18.668 315 H GLY 44 HN GLY 44 7.720 -9.737 -15.128 316 HA2 GLY 44 HA2 GLY 44 8.337 -7.701 -16.287 317 HA3 GLY 44 HA1 GLY 44 7.463 -8.298 -17.688 318 H GLN 45 HN GLN 45 5.380 -9.202 -15.484 319 HA GLN 45 HA GLN 45 3.825 -6.767 -15.791 320 HB2 GLN 45 HB2 GLN 45 1.927 -8.007 -15.269 321 HB3 GLN 45 HB1 GLN 45 2.937 -9.180 -16.101 322 HG2 GLN 45 HG2 GLN 45 3.569 -10.203 -14.038 323 HG3 GLN 45 HG1 GLN 45 2.782 -8.927 -13.109 324 HE21 GLN 45 HE21 GLN 45 2.326 -11.756 -12.981 325 HE22 GLN 45 HE22 GLN 45 0.666 -12.032 -13.398 326 H ALA 46 HN ALA 46 2.690 -5.795 -14.000 327 HA ALA 46 HA ALA 46 4.349 -5.707 -11.602 328 HB1 ALA 46 HB1 ALA 46 3.073 -3.719 -11.022 329 HB2 ALA 46 HB2 ALA 46 2.001 -3.987 -12.398 330 HB3 ALA 46 HB3 ALA 46 3.699 -3.590 -12.667 331 H VAL 47 HN VAL 47 3.707 -6.432 -9.636 332 HA VAL 47 HA VAL 47 0.920 -7.279 -9.268 333 HB VAL 47 HB VAL 47 1.741 -9.359 -8.103 334 HG11 VAL 47 HG11 VAL 47 2.054 -10.644 -10.169 335 HG12 VAL 47 HG12 VAL 47 2.308 -9.140 -11.056 336 HG13 VAL 47 HG13 VAL 47 0.741 -9.475 -10.320 337 HG21 VAL 47 HG21 VAL 47 3.957 -10.199 -8.704 338 HG22 VAL 47 HG22 VAL 47 4.067 -8.688 -7.804 339 HG23 VAL 47 HG23 VAL 47 4.299 -8.693 -9.552 340 H THR 48 HN THR 48 0.397 -7.683 -6.977 341 HA THR 48 HA THR 48 1.975 -5.893 -5.263 342 HB THR 48 HB THR 48 -0.857 -6.830 -4.774 343 HG1 THR 48 HG1 THR 48 -1.447 -5.477 -6.281 344 HG21 THR 48 HG21 THR 48 0.325 -5.948 -2.822 345 HG22 THR 48 HG22 THR 48 -0.956 -4.843 -3.328 346 HG23 THR 48 HG23 THR 48 0.728 -4.481 -3.717 347 H PHE 49 HN PHE 49 2.908 -6.664 -3.466 348 HA PHE 49 HA PHE 49 2.177 -9.326 -2.452 349 HB2 PHE 49 HB2 PHE 49 4.880 -8.356 -3.327 350 HB3 PHE 49 HB1 PHE 49 4.771 -9.476 -1.979 351 HD1 PHE 49 HD1 PHE 49 3.482 -9.128 -5.474 352 HD2 PHE 49 HD2 PHE 49 4.975 -11.697 -2.431 353 HE1 PHE 49 HE1 PHE 49 3.447 -11.015 -7.052 354 HE2 PHE 49 HE2 PHE 49 4.938 -13.586 -4.002 355 HZ PHE 49 HZ PHE 49 4.173 -13.247 -6.316 356 H ASP 50 HN ASP 50 2.695 -9.629 -0.202 357 HA ASP 50 HA ASP 50 3.422 -7.112 1.167 358 HB2 ASP 50 HB2 ASP 50 1.212 -8.327 1.730 359 HB3 ASP 50 HB1 ASP 50 2.235 -9.499 2.559 360 H VAL 51 HN VAL 51 5.517 -7.027 1.592 361 HA VAL 51 HA VAL 51 7.074 -9.465 1.599 362 HB VAL 51 HB VAL 51 7.807 -7.431 0.353 363 HG11 VAL 51 HG11 VAL 51 8.898 -5.616 1.591 364 HG12 VAL 51 HG12 VAL 51 8.339 -6.327 3.105 365 HG13 VAL 51 HG13 VAL 51 7.171 -5.713 1.933 366 HG21 VAL 51 HG21 VAL 51 9.390 -9.195 0.916 367 HG22 VAL 51 HG22 VAL 51 9.723 -8.415 2.462 368 HG23 VAL 51 HG23 VAL 51 10.170 -7.612 0.955 369 H GLU 52 HN GLU 52 8.383 -10.191 3.226 370 HA GLU 52 HA GLU 52 8.169 -8.915 5.860 371 HB2 GLU 52 HB2 GLU 52 7.845 -11.873 5.323 372 HB3 GLU 52 HB1 GLU 52 7.887 -11.114 6.908 373 HG2 GLU 52 HG2 GLU 52 5.834 -9.877 6.327 374 HG3 GLU 52 HG1 GLU 52 5.776 -10.755 4.797 375 H GLU 53 HN GLU 53 10.217 -8.446 6.424 376 HA GLU 53 HA GLU 53 12.446 -10.010 5.512 377 HB2 GLU 53 HB2 GLU 53 12.200 -7.822 7.585 378 HB3 GLU 53 HB1 GLU 53 13.727 -8.591 7.158 379 HG2 GLU 53 HG2 GLU 53 13.689 -7.729 4.986 380 HG3 GLU 53 HG1 GLU 53 11.979 -7.317 5.087 381 H GLY 54 HN GLY 54 12.813 -11.984 6.250 382 HA2 GLY 54 HA2 GLY 54 11.879 -12.609 8.981 383 HA3 GLY 54 HA1 GLY 54 11.738 -13.720 7.629 384 H GLN 55 HN GLN 55 12.863 -15.366 8.508 385 HA GLN 55 HA GLN 55 15.293 -14.947 9.990 386 HB2 GLN 55 HB2 GLN 55 15.190 -17.421 10.267 387 HB3 GLN 55 HB1 GLN 55 13.726 -16.588 10.770 388 HG2 GLN 55 HG2 GLN 55 12.707 -17.164 8.587 389 HG3 GLN 55 HG1 GLN 55 14.151 -18.093 8.198 390 HE21 GLN 55 HE21 GLN 55 14.498 -19.055 10.927 391 HE22 GLN 55 HE22 GLN 55 13.260 -20.251 11.177 392 H ARG 56 HN ARG 56 15.656 -14.135 7.318 393 HA ARG 56 HA ARG 56 18.077 -15.327 6.663 394 HB2 ARG 56 HB2 ARG 56 17.501 -16.514 4.550 395 HB3 ARG 56 HB1 ARG 56 16.931 -17.323 6.001 396 HG2 ARG 56 HG2 ARG 56 14.682 -16.438 5.601 397 HG3 ARG 56 HG1 ARG 56 15.264 -15.648 4.133 398 HD2 ARG 56 HD2 ARG 56 14.125 -17.798 3.693 399 HD3 ARG 56 HD1 ARG 56 15.800 -17.774 3.142 400 HE ARG 56 HE ARG 56 16.103 -18.887 5.527 401 HH11 ARG 56 HH11 ARG 56 13.686 -19.507 3.080 402 HH12 ARG 56 HH12 ARG 56 13.505 -21.187 3.478 403 HH21 ARG 56 HH21 ARG 56 15.879 -21.104 6.086 404 HH22 ARG 56 HH22 ARG 56 14.741 -22.091 5.209 405 H GLY 57 HN GLY 57 15.294 -13.512 5.674 406 HA2 GLY 57 HA2 GLY 57 16.575 -11.280 4.820 407 HA3 GLY 57 HA1 GLY 57 16.566 -12.309 3.395 408 HA PRO 58 HA PRO 58 12.536 -9.975 3.514 409 HB2 PRO 58 HB2 PRO 58 13.178 -9.223 0.771 410 HB3 PRO 58 HB1 PRO 58 12.827 -8.184 2.153 411 HG2 PRO 58 HG2 PRO 58 15.291 -8.360 1.037 412 HG3 PRO 58 HG1 PRO 58 15.039 -8.024 2.760 413 HD2 PRO 58 HD2 PRO 58 15.770 -10.602 1.418 414 HD3 PRO 58 HD1 PRO 58 16.394 -9.901 2.929 415 H GLN 59 HN GLN 59 11.262 -11.758 3.431 416 HA GLN 59 HA GLN 59 11.082 -13.245 0.901 417 HB2 GLN 59 HB2 GLN 59 10.094 -13.862 3.692 418 HB3 GLN 59 HB1 GLN 59 9.699 -14.840 2.285 419 HG2 GLN 59 HG2 GLN 59 11.956 -15.481 1.984 420 HG3 GLN 59 HG1 GLN 59 12.520 -14.285 3.151 421 HE21 GLN 59 HE21 GLN 59 10.867 -17.331 2.732 422 HE22 GLN 59 HE22 GLN 59 11.040 -17.867 4.366 423 H ALA 60 HN ALA 60 9.269 -13.137 -0.335 424 HA ALA 60 HA ALA 60 7.276 -11.163 0.496 425 HB1 ALA 60 HB1 ALA 60 7.724 -12.381 -2.218 426 HB2 ALA 60 HB2 ALA 60 8.406 -10.854 -1.665 427 HB3 ALA 60 HB3 ALA 60 6.659 -11.029 -1.836 428 H ALA 61 HN ALA 61 5.300 -11.689 1.066 429 HA ALA 61 HA ALA 61 4.163 -14.245 0.177 430 HB1 ALA 61 HB1 ALA 61 4.932 -14.530 2.492 431 HB2 ALA 61 HB2 ALA 61 3.174 -14.588 2.385 432 HB3 ALA 61 HB3 ALA 61 3.972 -13.134 2.978 433 H ASN 62 HN ASN 62 1.689 -14.167 0.854 434 HA ASN 62 HA ASN 62 -0.346 -13.296 0.355 435 HB2 ASN 62 HB2 ASN 62 0.818 -10.670 1.304 436 HB3 ASN 62 HB1 ASN 62 -0.887 -11.104 1.231 437 HD21 ASN 62 HD21 ASN 62 2.089 -11.459 2.928 438 HD22 ASN 62 HD22 ASN 62 1.451 -12.255 4.331 439 H VAL 63 HN VAL 63 -0.305 -13.573 -1.860 440 HA VAL 63 HA VAL 63 0.753 -11.400 -3.497 441 HB VAL 63 HB VAL 63 -0.434 -14.041 -4.362 442 HG11 VAL 63 HG11 VAL 63 0.645 -13.583 -6.510 443 HG12 VAL 63 HG12 VAL 63 1.177 -12.011 -5.909 444 HG13 VAL 63 HG13 VAL 63 -0.546 -12.342 -6.111 445 HG21 VAL 63 HG21 VAL 63 1.863 -14.762 -4.704 446 HG22 VAL 63 HG22 VAL 63 1.578 -14.334 -3.016 447 HG23 VAL 63 HG23 VAL 63 2.448 -13.222 -4.073 448 H GLN 64 HN GLN 64 -0.486 -9.841 -4.244 449 HA GLN 64 HA GLN 64 -3.337 -10.394 -4.751 450 HB2 GLN 64 HB2 GLN 64 -3.091 -8.817 -2.891 451 HB3 GLN 64 HB1 GLN 64 -2.057 -7.792 -3.873 452 HG2 GLN 64 HG2 GLN 64 -3.954 -7.418 -5.409 453 HG3 GLN 64 HG1 GLN 64 -4.976 -8.363 -4.330 454 HE21 GLN 64 HE21 GLN 64 -5.564 -7.516 -2.345 455 HE22 GLN 64 HE22 GLN 64 -5.393 -5.837 -1.962 456 H LYS 65 HN LYS 65 -4.036 -9.959 -6.806 457 HA LYS 65 HA LYS 65 -2.010 -9.510 -8.772 458 HB2 LYS 65 HB2 LYS 65 -3.908 -11.065 -9.118 459 HB3 LYS 65 HB1 LYS 65 -5.007 -9.691 -9.138 460 HG2 LYS 65 HG2 LYS 65 -4.411 -10.538 -11.391 461 HG3 LYS 65 HG1 LYS 65 -4.002 -8.838 -11.141 462 HD2 LYS 65 HD2 LYS 65 -1.691 -9.401 -10.758 463 HD3 LYS 65 HD1 LYS 65 -2.065 -11.123 -10.815 464 HE2 LYS 65 HE2 LYS 65 -1.061 -10.395 -12.903 465 HE3 LYS 65 HE1 LYS 65 -2.732 -10.887 -13.163 466 HZ1 LYS 65 HZ1 LYS 65 -1.850 -8.064 -12.843 467 HZ2 LYS 65 HZ2 LYS 65 -3.402 -8.602 -13.249 468 HZ3 LYS 65 HZ3 LYS 65 -2.123 -8.827 -14.331 469 H ALA 66 HN ALA 66 -1.499 -7.721 -9.834 470 HA ALA 66 HA ALA 66 -3.126 -5.315 -9.420 471 HB1 ALA 66 HB1 ALA 66 -1.128 -4.065 -10.111 472 HB2 ALA 66 HB2 ALA 66 -0.258 -5.584 -10.326 473 HB3 ALA 66 HB3 ALA 66 -0.799 -5.097 -8.719 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 1.507 -3.640 3.388 2 H2 MET 1 HT2 MET 1 1.968 -2.129 2.781 3 H3 MET 1 HT3 MET 1 3.132 -3.336 3.028 4 HA MET 1 HA MET 1 2.186 -4.703 1.340 5 HB2 MET 1 HB2 MET 1 0.389 -3.840 -0.111 6 HB3 MET 1 HB1 MET 1 -0.147 -4.079 1.544 7 HG2 MET 1 HG2 MET 1 0.699 -1.406 0.475 8 HG3 MET 1 HG1 MET 1 -0.955 -2.004 0.373 9 HE1 MET 1 HE1 MET 1 -1.193 0.678 3.212 10 HE2 MET 1 HE2 MET 1 -1.834 0.136 1.660 11 HE3 MET 1 HE3 MET 1 -0.188 0.758 1.764 12 H GLU 2 HN GLU 2 2.839 -4.527 -0.812 13 HA GLU 2 HA GLU 2 4.359 -2.103 -1.493 14 HB2 GLU 2 HB2 GLU 2 5.831 -3.834 -0.461 15 HB3 GLU 2 HB1 GLU 2 5.325 -4.970 -1.701 16 HG2 GLU 2 HG2 GLU 2 7.437 -4.165 -2.337 17 HG3 GLU 2 HG1 GLU 2 6.263 -3.388 -3.395 18 H GLN 3 HN GLN 3 4.862 -2.027 -3.859 19 HA GLN 3 HA GLN 3 3.170 -3.804 -5.469 20 HB2 GLN 3 HB2 GLN 3 1.955 -1.658 -5.060 21 HB3 GLN 3 HB1 GLN 3 3.264 -0.810 -5.873 22 HG2 GLN 3 HG2 GLN 3 2.800 -2.068 -7.921 23 HG3 GLN 3 HG1 GLN 3 1.476 -2.899 -7.104 24 HE21 GLN 3 HE21 GLN 3 -0.041 -2.127 -8.560 25 HE22 GLN 3 HE22 GLN 3 -0.565 -0.478 -8.563 26 H GLY 4 HN GLY 4 3.896 -4.178 -7.581 27 HA2 GLY 4 HA2 GLY 4 6.023 -2.807 -8.805 28 HA3 GLY 4 HA1 GLY 4 6.671 -4.193 -7.939 29 H THR 5 HN THR 5 7.322 -5.261 -9.781 30 HA THR 5 HA THR 5 5.185 -6.429 -11.408 31 HB THR 5 HB THR 5 7.683 -5.176 -12.573 32 HG1 THR 5 HG1 THR 5 5.231 -4.156 -11.963 33 HG21 THR 5 HG21 THR 5 5.282 -6.416 -13.927 34 HG22 THR 5 HG22 THR 5 6.898 -7.120 -13.841 35 HG23 THR 5 HG23 THR 5 6.632 -5.626 -14.740 36 H VAL 6 HN VAL 6 5.583 -8.535 -12.009 37 HA VAL 6 HA VAL 6 7.489 -9.974 -10.476 38 HB VAL 6 HB VAL 6 5.871 -10.933 -12.844 39 HG11 VAL 6 HG11 VAL 6 7.185 -12.499 -10.625 40 HG12 VAL 6 HG12 VAL 6 7.747 -12.411 -12.293 41 HG13 VAL 6 HG13 VAL 6 6.197 -13.165 -11.925 42 HG21 VAL 6 HG21 VAL 6 4.308 -11.791 -11.141 43 HG22 VAL 6 HG22 VAL 6 4.423 -10.032 -11.131 44 HG23 VAL 6 HG23 VAL 6 5.253 -10.974 -9.893 45 H LYS 7 HN LYS 7 9.574 -10.306 -10.878 46 HA LYS 7 HA LYS 7 10.794 -9.519 -13.348 47 HB2 LYS 7 HB2 LYS 7 11.891 -9.325 -11.103 48 HB3 LYS 7 HB1 LYS 7 11.998 -11.078 -11.048 49 HG2 LYS 7 HG2 LYS 7 14.083 -10.581 -11.808 50 HG3 LYS 7 HG1 LYS 7 13.237 -10.736 -13.348 51 HD2 LYS 7 HD2 LYS 7 14.556 -8.750 -13.451 52 HD3 LYS 7 HD1 LYS 7 12.869 -8.255 -13.288 53 HE2 LYS 7 HE2 LYS 7 13.174 -7.832 -10.932 54 HE3 LYS 7 HE1 LYS 7 14.818 -8.467 -10.997 55 HZ1 LYS 7 HZ1 LYS 7 13.799 -5.980 -12.269 56 HZ2 LYS 7 HZ2 LYS 7 15.334 -6.639 -12.580 57 HZ3 LYS 7 HZ3 LYS 7 14.941 -6.112 -11.026 58 H TRP 8 HN TRP 8 10.586 -12.605 -11.602 59 HA TRP 8 HA TRP 8 9.576 -14.088 -13.740 60 HB2 TRP 8 HB2 TRP 8 11.815 -13.789 -14.741 61 HB3 TRP 8 HB1 TRP 8 12.548 -14.507 -13.310 62 HD1 TRP 8 HD1 TRP 8 9.693 -15.666 -15.690 63 HE1 TRP 8 HE1 TRP 8 10.124 -18.131 -16.311 64 HE3 TRP 8 HE3 TRP 8 14.043 -16.392 -13.105 65 HZ2 TRP 8 HZ2 TRP 8 12.066 -20.109 -15.773 66 HZ3 TRP 8 HZ3 TRP 8 15.120 -18.598 -13.214 67 HH2 TRP 8 HH2 TRP 8 14.153 -20.415 -14.519 68 H PHE 9 HN PHE 9 8.877 -16.063 -13.024 69 HA PHE 9 HA PHE 9 9.412 -16.641 -10.200 70 HB2 PHE 9 HB2 PHE 9 7.039 -16.278 -10.951 71 HB3 PHE 9 HB1 PHE 9 7.187 -17.714 -11.954 72 HD1 PHE 9 HD2 PHE 9 6.908 -16.440 -8.543 73 HD2 PHE 9 HD1 PHE 9 7.189 -19.923 -10.970 74 HE1 PHE 9 HE2 PHE 9 6.194 -17.821 -6.639 75 HE2 PHE 9 HE1 PHE 9 6.468 -21.311 -9.072 76 HZ PHE 9 HZ PHE 9 5.971 -20.259 -6.901 77 H ASN 10 HN ASN 10 11.233 -17.865 -10.208 78 HA ASN 10 HA ASN 10 11.770 -19.845 -12.169 79 HB2 ASN 10 HB2 ASN 10 13.593 -20.558 -10.527 80 HB3 ASN 10 HB1 ASN 10 13.683 -18.919 -11.162 81 HD21 ASN 10 HD21 ASN 10 13.260 -20.872 -8.353 82 HD22 ASN 10 HD22 ASN 10 13.259 -19.586 -7.204 83 H ALA 11 HN ALA 11 9.828 -21.025 -12.160 84 HA ALA 11 HA ALA 11 8.829 -22.496 -9.991 85 HB1 ALA 11 HB1 ALA 11 7.554 -22.044 -12.036 86 HB2 ALA 11 HB2 ALA 11 7.582 -23.763 -11.648 87 HB3 ALA 11 HB3 ALA 11 8.614 -23.133 -12.931 88 H GLU 12 HN GLU 12 11.616 -22.947 -11.877 89 HA GLU 12 HA GLU 12 12.064 -25.689 -11.758 90 HB2 GLU 12 HB2 GLU 12 14.174 -23.576 -11.305 91 HB3 GLU 12 HB1 GLU 12 14.389 -25.174 -12.005 92 HG2 GLU 12 HG2 GLU 12 13.176 -24.534 -13.977 93 HG3 GLU 12 HG1 GLU 12 12.776 -22.968 -13.270 94 H LYS 13 HN LYS 13 12.465 -23.179 -9.342 95 HA LYS 13 HA LYS 13 13.366 -25.173 -7.381 96 HB2 LYS 13 HB2 LYS 13 13.423 -22.158 -7.148 97 HB3 LYS 13 HB1 LYS 13 14.164 -23.312 -6.049 98 HG2 LYS 13 HG2 LYS 13 14.957 -22.880 -8.921 99 HG3 LYS 13 HG1 LYS 13 15.808 -22.249 -7.511 100 HD2 LYS 13 HD2 LYS 13 16.184 -24.568 -6.743 101 HD3 LYS 13 HD1 LYS 13 15.401 -25.157 -8.211 102 HE2 LYS 13 HE2 LYS 13 17.859 -23.414 -8.149 103 HE3 LYS 13 HE1 LYS 13 17.878 -25.165 -8.337 104 HZ1 LYS 13 HZ1 LYS 13 16.549 -23.262 -10.199 105 HZ2 LYS 13 HZ2 LYS 13 16.660 -24.948 -10.391 106 HZ3 LYS 13 HZ3 LYS 13 18.058 -23.990 -10.455 107 H GLY 14 HN GLY 14 10.750 -23.143 -8.285 108 HA2 GLY 14 HA2 GLY 14 8.560 -23.384 -7.436 109 HA3 GLY 14 HA1 GLY 14 9.229 -24.064 -5.960 110 H PHE 15 HN PHE 15 10.491 -21.164 -7.404 111 HA PHE 15 HA PHE 15 9.145 -19.481 -5.432 112 HB2 PHE 15 HB2 PHE 15 12.159 -19.653 -5.747 113 HB3 PHE 15 HB1 PHE 15 11.321 -18.411 -4.826 114 HD1 PHE 15 HD1 PHE 15 10.028 -19.075 -2.787 115 HD2 PHE 15 HD2 PHE 15 12.635 -21.753 -4.821 116 HE1 PHE 15 HE1 PHE 15 10.097 -20.513 -0.793 117 HE2 PHE 15 HE2 PHE 15 12.707 -23.203 -2.833 118 HZ PHE 15 HZ PHE 15 11.435 -22.585 -0.814 119 H GLY 16 HN GLY 16 10.372 -17.110 -5.920 120 HA2 GLY 16 HA2 GLY 16 11.072 -16.749 -8.666 121 HA3 GLY 16 HA1 GLY 16 9.427 -16.216 -8.340 122 H PHE 17 HN PHE 17 11.369 -14.497 -9.244 123 HA PHE 17 HA PHE 17 11.885 -12.822 -6.875 124 HB2 PHE 17 HB2 PHE 17 13.228 -12.786 -9.592 125 HB3 PHE 17 HB1 PHE 17 13.566 -11.657 -8.284 126 HD1 PHE 17 HD2 PHE 17 14.649 -12.473 -6.210 127 HD2 PHE 17 HD1 PHE 17 14.179 -14.948 -9.640 128 HE1 PHE 17 HE2 PHE 17 16.352 -14.012 -5.330 129 HE2 PHE 17 HE1 PHE 17 15.881 -16.493 -8.764 130 HZ PHE 17 HZ PHE 17 16.971 -16.024 -6.604 131 H ILE 18 HN ILE 18 10.942 -10.865 -6.767 132 HA ILE 18 HA ILE 18 9.538 -9.886 -9.157 133 HB ILE 18 HB ILE 18 8.499 -9.909 -6.320 134 HG12 ILE 18 HG12 ILE 18 7.496 -11.162 -8.880 135 HG13 ILE 18 HG11 ILE 18 8.209 -12.010 -7.513 136 HG21 ILE 18 HG21 ILE 18 7.300 -8.589 -8.752 137 HG22 ILE 18 HG22 ILE 18 7.960 -7.767 -7.338 138 HG23 ILE 18 HG23 ILE 18 6.511 -8.761 -7.185 139 HD11 ILE 18 HD11 ILE 18 5.806 -12.261 -7.523 140 HD12 ILE 18 HD12 ILE 18 5.606 -10.508 -7.507 141 HD13 ILE 18 HD13 ILE 18 6.322 -11.325 -6.119 142 H GLU 19 HN GLU 19 9.488 -7.702 -9.456 143 HA GLU 19 HA GLU 19 11.482 -6.184 -7.934 144 HB2 GLU 19 HB2 GLU 19 11.760 -6.431 -10.400 145 HB3 GLU 19 HB1 GLU 19 10.219 -5.619 -10.626 146 HG2 GLU 19 HG2 GLU 19 11.137 -3.610 -9.576 147 HG3 GLU 19 HG1 GLU 19 12.690 -4.428 -9.395 148 H ARG 20 HN ARG 20 10.938 -4.167 -7.063 149 HA ARG 20 HA ARG 20 8.107 -3.402 -7.189 150 HB2 ARG 20 HB2 ARG 20 8.227 -2.846 -4.745 151 HB3 ARG 20 HB1 ARG 20 8.300 -4.564 -5.104 152 HG2 ARG 20 HG2 ARG 20 10.741 -4.498 -4.814 153 HG3 ARG 20 HG1 ARG 20 10.622 -2.790 -4.387 154 HD2 ARG 20 HD2 ARG 20 9.336 -3.293 -2.443 155 HD3 ARG 20 HD1 ARG 20 9.172 -4.981 -2.923 156 HE ARG 20 HE ARG 20 11.722 -4.991 -2.654 157 HH11 ARG 20 HH11 ARG 20 9.558 -2.988 -0.757 158 HH12 ARG 20 HH12 ARG 20 10.556 -3.060 0.666 159 HH21 ARG 20 HH21 ARG 20 13.047 -5.068 -0.800 160 HH22 ARG 20 HH22 ARG 20 12.548 -4.225 0.638 161 H GLU 21 HN GLU 21 7.832 -1.133 -6.193 162 HA GLU 21 HA GLU 21 9.422 0.679 -7.645 163 HB2 GLU 21 HB2 GLU 21 7.631 1.217 -5.269 164 HB3 GLU 21 HB1 GLU 21 8.248 2.436 -6.376 165 HG2 GLU 21 HG2 GLU 21 6.382 0.180 -7.078 166 HG3 GLU 21 HG1 GLU 21 5.942 1.875 -6.877 167 H ASN 22 HN ASN 22 9.901 -0.816 -4.630 168 HA ASN 22 HA ASN 22 11.835 1.201 -3.757 169 HB2 ASN 22 HB2 ASN 22 10.432 -1.043 -2.309 170 HB3 ASN 22 HB1 ASN 22 11.765 -0.137 -1.596 171 HD21 ASN 22 HD21 ASN 22 8.760 -0.380 -1.082 172 HD22 ASN 22 HD22 ASN 22 8.258 1.272 -0.938 173 H GLY 23 HN GLY 23 12.080 -1.194 -5.788 174 HA2 GLY 23 HA2 GLY 23 14.570 -1.617 -6.178 175 HA3 GLY 23 HA1 GLY 23 14.513 -2.354 -4.584 176 H ASP 24 HN ASP 24 15.393 -3.817 -6.725 177 HA ASP 24 HA ASP 24 13.144 -5.461 -7.595 178 HB2 ASP 24 HB2 ASP 24 14.714 -6.471 -9.162 179 HB3 ASP 24 HB1 ASP 24 14.786 -4.718 -9.284 180 H ASP 25 HN ASP 25 13.240 -5.889 -5.050 181 HA ASP 25 HA ASP 25 14.503 -8.502 -4.774 182 HB2 ASP 25 HB2 ASP 25 15.224 -7.896 -2.420 183 HB3 ASP 25 HB1 ASP 25 16.152 -7.171 -3.725 184 H VAL 26 HN VAL 26 12.310 -9.159 -5.122 185 HA VAL 26 HA VAL 26 10.973 -9.401 -2.512 186 HB VAL 26 HB VAL 26 9.587 -9.118 -5.190 187 HG11 VAL 26 HG11 VAL 26 8.454 -10.730 -3.755 188 HG12 VAL 26 HG12 VAL 26 7.501 -9.258 -3.933 189 HG13 VAL 26 HG13 VAL 26 8.408 -9.547 -2.449 190 HG21 VAL 26 HG21 VAL 26 8.588 -7.093 -4.202 191 HG22 VAL 26 HG22 VAL 26 10.342 -6.976 -4.361 192 HG23 VAL 26 HG23 VAL 26 9.618 -7.300 -2.784 193 H PHE 27 HN PHE 27 10.987 -11.492 -1.888 194 HA PHE 27 HA PHE 27 11.410 -13.559 -3.917 195 HB2 PHE 27 HB2 PHE 27 11.596 -13.658 -0.897 196 HB3 PHE 27 HB1 PHE 27 11.865 -15.041 -1.952 197 HD1 PHE 27 HD1 PHE 27 13.177 -11.776 -0.875 198 HD2 PHE 27 HD2 PHE 27 13.904 -15.285 -3.170 199 HE1 PHE 27 HE1 PHE 27 15.545 -11.143 -1.089 200 HE2 PHE 27 HE2 PHE 27 16.272 -14.656 -3.389 201 HZ PHE 27 HZ PHE 27 17.094 -12.583 -2.346 202 H VAL 28 HN VAL 28 9.602 -14.325 -4.786 203 HA VAL 28 HA VAL 28 7.212 -14.567 -3.102 204 HB VAL 28 HB VAL 28 6.894 -13.312 -5.171 205 HG11 VAL 28 HG11 VAL 28 8.609 -14.329 -6.540 206 HG12 VAL 28 HG12 VAL 28 7.046 -14.406 -7.354 207 HG13 VAL 28 HG13 VAL 28 7.708 -15.846 -6.577 208 HG21 VAL 28 HG21 VAL 28 4.993 -14.580 -6.101 209 HG22 VAL 28 HG22 VAL 28 4.992 -14.536 -4.338 210 HG23 VAL 28 HG23 VAL 28 5.519 -15.992 -5.182 211 H HIS 29 HN HIS 29 5.990 -16.480 -3.052 212 HA HIS 29 HA HIS 29 7.155 -18.894 -4.170 213 HB2 HIS 29 HB2 HIS 29 7.036 -20.081 -1.980 214 HB3 HIS 29 HB1 HIS 29 8.255 -18.815 -2.025 215 HD1 HIS 29 HD1 HIS 29 5.525 -20.057 -0.024 216 HD2 HIS 29 HD2 HIS 29 7.309 -16.354 -0.661 217 HE1 HIS 29 HE1 HIS 29 4.844 -18.626 1.933 218 HE2 HIS 29 HE2 HIS 29 6.092 -16.457 1.622 219 H PHE 30 HN PHE 30 5.642 -20.823 -3.704 220 HA PHE 30 HA PHE 30 3.318 -20.296 -5.105 221 HB2 PHE 30 HB2 PHE 30 4.072 -22.632 -3.367 222 HB3 PHE 30 HB1 PHE 30 2.571 -22.593 -4.281 223 HD1 PHE 30 HD2 PHE 30 2.977 -21.850 -6.849 224 HD2 PHE 30 HD1 PHE 30 5.808 -23.770 -4.318 225 HE1 PHE 30 HE2 PHE 30 4.152 -22.720 -8.828 226 HE2 PHE 30 HE1 PHE 30 6.988 -24.643 -6.293 227 HZ PHE 30 HZ PHE 30 6.159 -24.120 -8.552 228 H SER 31 HN SER 31 3.695 -20.551 -1.604 229 HA SER 31 HA SER 31 0.969 -20.764 -0.959 230 HB2 SER 31 HB2 SER 31 2.780 -21.360 0.590 231 HB3 SER 31 HB1 SER 31 3.227 -19.664 0.723 232 HG SER 31 HG SER 31 0.962 -19.368 1.466 233 H ALA 32 HN ALA 32 2.405 -18.127 -2.372 234 HA ALA 32 HA ALA 32 0.805 -16.157 -0.905 235 HB1 ALA 32 HB1 ALA 32 2.912 -15.779 -3.027 236 HB2 ALA 32 HB2 ALA 32 3.131 -15.591 -1.287 237 HB3 ALA 32 HB3 ALA 32 2.079 -14.483 -2.167 238 H ILE 33 HN ILE 33 0.627 -18.087 -3.664 239 HA ILE 33 HA ILE 33 -0.795 -16.148 -5.303 240 HB ILE 33 HB ILE 33 0.149 -18.967 -5.819 241 HG12 ILE 33 HG12 ILE 33 1.339 -17.755 -7.727 242 HG13 ILE 33 HG11 ILE 33 0.881 -16.260 -6.927 243 HG21 ILE 33 HG21 ILE 33 -0.709 -18.769 -8.109 244 HG22 ILE 33 HG22 ILE 33 -1.512 -17.262 -7.668 245 HG23 ILE 33 HG23 ILE 33 -2.005 -18.777 -6.911 246 HD11 ILE 33 HD11 ILE 33 2.116 -17.003 -4.921 247 HD12 ILE 33 HD12 ILE 33 3.135 -16.822 -6.350 248 HD13 ILE 33 HD13 ILE 33 2.638 -18.429 -5.815 249 H GLN 34 HN GLN 34 -2.936 -16.272 -5.875 250 HA GLN 34 HA GLN 34 -4.584 -18.186 -4.357 251 HB2 GLN 34 HB2 GLN 34 -6.239 -16.525 -4.025 252 HB3 GLN 34 HB1 GLN 34 -4.716 -15.728 -3.667 253 HG2 GLN 34 HG2 GLN 34 -6.268 -15.486 -6.239 254 HG3 GLN 34 HG1 GLN 34 -6.223 -14.295 -4.944 255 HE21 GLN 34 HE21 GLN 34 -4.378 -13.044 -4.667 256 HE22 GLN 34 HE22 GLN 34 -3.156 -12.931 -5.882 257 H GLY 35 HN GLY 35 -7.013 -17.853 -5.544 258 HA2 GLY 35 HA2 GLY 35 -6.692 -19.026 -8.124 259 HA3 GLY 35 HA1 GLY 35 -8.213 -18.534 -7.391 260 H ASP 36 HN ASP 36 -5.484 -17.504 -9.300 261 HA ASP 36 HA ASP 36 -6.866 -15.027 -10.057 262 HB2 ASP 36 HB2 ASP 36 -4.503 -14.794 -9.485 263 HB3 ASP 36 HB1 ASP 36 -4.068 -16.028 -10.663 264 H GLY 37 HN GLY 37 -5.546 -17.986 -11.378 265 HA2 GLY 37 HA2 GLY 37 -7.194 -18.686 -13.333 266 HA3 GLY 37 HA1 GLY 37 -6.367 -17.321 -14.087 267 H PHE 38 HN PHE 38 -3.877 -17.653 -12.896 268 HA PHE 38 HA PHE 38 -2.955 -20.199 -14.029 269 HB2 PHE 38 HB2 PHE 38 -1.356 -17.713 -13.355 270 HB3 PHE 38 HB1 PHE 38 -0.730 -19.168 -14.121 271 HD1 PHE 38 HD1 PHE 38 -1.746 -19.842 -16.372 272 HD2 PHE 38 HD2 PHE 38 -2.187 -15.975 -14.650 273 HE1 PHE 38 HE1 PHE 38 -2.295 -18.923 -18.585 274 HE2 PHE 38 HE2 PHE 38 -2.739 -15.050 -16.862 275 HZ PHE 38 HZ PHE 38 -2.792 -16.523 -18.832 276 H LYS 39 HN LYS 39 -1.008 -21.106 -12.799 277 HA LYS 39 HA LYS 39 -1.628 -21.002 -9.926 278 HB2 LYS 39 HB2 LYS 39 -0.415 -23.289 -9.959 279 HB3 LYS 39 HB1 LYS 39 -2.054 -23.190 -10.583 280 HG2 LYS 39 HG2 LYS 39 -0.930 -24.504 -12.139 281 HG3 LYS 39 HG1 LYS 39 -0.969 -22.906 -12.883 282 HD2 LYS 39 HD2 LYS 39 1.338 -22.531 -11.968 283 HD3 LYS 39 HD1 LYS 39 1.351 -24.229 -11.485 284 HE2 LYS 39 HE2 LYS 39 1.188 -23.087 -14.264 285 HE3 LYS 39 HE1 LYS 39 2.454 -24.107 -13.581 286 HZ1 LYS 39 HZ1 LYS 39 -0.300 -24.870 -14.352 287 HZ2 LYS 39 HZ2 LYS 39 0.642 -25.842 -13.330 288 HZ3 LYS 39 HZ3 LYS 39 1.171 -25.516 -14.910 289 H SER 40 HN SER 40 0.298 -19.469 -11.766 290 HA SER 40 HA SER 40 2.421 -19.278 -9.843 291 HB2 SER 40 HB2 SER 40 4.162 -19.542 -11.735 292 HB3 SER 40 HB1 SER 40 3.454 -21.013 -11.072 293 HG SER 40 HG SER 40 3.525 -20.391 -13.561 294 H LEU 41 HN LEU 41 4.117 -17.579 -10.893 295 HA LEU 41 HA LEU 41 2.404 -15.422 -11.913 296 HB2 LEU 41 HB2 LEU 41 5.005 -15.254 -10.387 297 HB3 LEU 41 HB1 LEU 41 4.093 -13.877 -10.978 298 HG LEU 41 HG LEU 41 3.168 -15.845 -8.882 299 HD11 LEU 41 HD11 LEU 41 3.324 -13.905 -7.381 300 HD12 LEU 41 HD12 LEU 41 4.028 -12.961 -8.695 301 HD13 LEU 41 HD13 LEU 41 4.889 -14.361 -8.054 302 HD21 LEU 41 HD21 LEU 41 1.247 -14.382 -8.613 303 HD22 LEU 41 HD22 LEU 41 1.318 -15.019 -10.257 304 HD23 LEU 41 HD23 LEU 41 1.821 -13.360 -9.931 305 H ASP 42 HN ASP 42 2.770 -14.600 -13.856 306 HA ASP 42 HA ASP 42 5.078 -15.547 -15.347 307 HB2 ASP 42 HB2 ASP 42 2.452 -14.343 -16.107 308 HB3 ASP 42 HB1 ASP 42 3.803 -14.231 -17.234 309 H GLU 43 HN GLU 43 6.734 -14.387 -15.920 310 HA GLU 43 HA GLU 43 7.333 -11.946 -14.719 311 HB2 GLU 43 HB2 GLU 43 9.294 -11.900 -16.160 312 HB3 GLU 43 HB1 GLU 43 9.037 -13.518 -15.532 313 HG2 GLU 43 HG2 GLU 43 8.341 -12.568 -18.304 314 HG3 GLU 43 HG1 GLU 43 9.743 -13.538 -17.866 315 H GLY 44 HN GLY 44 6.988 -9.884 -15.240 316 HA2 GLY 44 HA2 GLY 44 6.807 -8.172 -16.956 317 HA3 GLY 44 HA1 GLY 44 5.904 -9.324 -17.927 318 H GLN 45 HN GLN 45 4.364 -10.158 -15.416 319 HA GLN 45 HA GLN 45 2.320 -8.146 -15.785 320 HB2 GLN 45 HB2 GLN 45 0.852 -9.562 -14.534 321 HB3 GLN 45 HB1 GLN 45 1.779 -10.582 -15.622 322 HG2 GLN 45 HG2 GLN 45 3.210 -11.271 -13.803 323 HG3 GLN 45 HG1 GLN 45 2.359 -10.192 -12.699 324 HE21 GLN 45 HE21 GLN 45 2.708 -13.065 -12.562 325 HE22 GLN 45 HE22 GLN 45 1.118 -13.746 -12.525 326 H ALA 46 HN ALA 46 1.535 -6.712 -14.305 327 HA ALA 46 HA ALA 46 3.313 -6.137 -12.047 328 HB1 ALA 46 HB1 ALA 46 2.286 -3.929 -12.023 329 HB2 ALA 46 HB2 ALA 46 1.152 -4.425 -13.279 330 HB3 ALA 46 HB3 ALA 46 2.875 -4.319 -13.638 331 H VAL 47 HN VAL 47 2.634 -6.205 -9.956 332 HA VAL 47 HA VAL 47 -0.189 -6.696 -9.396 333 HB VAL 47 HB VAL 47 0.381 -8.603 -7.886 334 HG11 VAL 47 HG11 VAL 47 -0.607 -9.021 -10.068 335 HG12 VAL 47 HG12 VAL 47 0.544 -10.291 -9.652 336 HG13 VAL 47 HG13 VAL 47 0.996 -9.036 -10.807 337 HG21 VAL 47 HG21 VAL 47 2.498 -9.804 -8.253 338 HG22 VAL 47 HG22 VAL 47 2.752 -8.189 -7.595 339 HG23 VAL 47 HG23 VAL 47 3.042 -8.497 -9.306 340 H THR 48 HN THR 48 -0.635 -6.701 -7.056 341 HA THR 48 HA THR 48 1.268 -5.033 -5.550 342 HB THR 48 HB THR 48 -1.667 -5.487 -4.955 343 HG1 THR 48 HG1 THR 48 -0.585 -4.057 -6.889 344 HG21 THR 48 HG21 THR 48 -0.270 -4.807 -3.026 345 HG22 THR 48 HG22 THR 48 -1.443 -3.569 -3.478 346 HG23 THR 48 HG23 THR 48 0.252 -3.390 -3.934 347 H PHE 49 HN PHE 49 1.945 -5.778 -3.501 348 HA PHE 49 HA PHE 49 1.230 -8.554 -2.844 349 HB2 PHE 49 HB2 PHE 49 3.451 -7.909 -4.374 350 HB3 PHE 49 HB1 PHE 49 4.110 -8.026 -2.747 351 HD1 PHE 49 HD2 PHE 49 2.376 -10.191 -1.662 352 HD2 PHE 49 HD1 PHE 49 4.323 -9.772 -5.416 353 HE1 PHE 49 HE2 PHE 49 2.475 -12.637 -1.883 354 HE2 PHE 49 HE1 PHE 49 4.419 -12.217 -5.645 355 HZ PHE 49 HZ PHE 49 3.496 -13.651 -3.874 356 H ASP 50 HN ASP 50 1.458 -9.036 -0.640 357 HA ASP 50 HA ASP 50 2.507 -6.842 1.016 358 HB2 ASP 50 HB2 ASP 50 0.299 -7.951 1.596 359 HB3 ASP 50 HB1 ASP 50 1.222 -9.396 2.004 360 H VAL 51 HN VAL 51 4.081 -7.471 2.786 361 HA VAL 51 HA VAL 51 5.828 -9.601 1.789 362 HB VAL 51 HB VAL 51 6.645 -7.545 0.787 363 HG11 VAL 51 HG11 VAL 51 7.539 -5.722 2.160 364 HG12 VAL 51 HG12 VAL 51 6.920 -6.517 3.606 365 HG13 VAL 51 HG13 VAL 51 5.802 -5.926 2.377 366 HG21 VAL 51 HG21 VAL 51 8.964 -7.627 1.568 367 HG22 VAL 51 HG22 VAL 51 8.276 -9.242 1.397 368 HG23 VAL 51 HG23 VAL 51 8.449 -8.522 2.998 369 H GLU 52 HN GLU 52 6.654 -10.854 3.261 370 HA GLU 52 HA GLU 52 6.886 -9.889 6.035 371 HB2 GLU 52 HB2 GLU 52 6.276 -12.655 4.984 372 HB3 GLU 52 HB1 GLU 52 6.782 -12.355 6.639 373 HG2 GLU 52 HG2 GLU 52 4.336 -11.167 5.356 374 HG3 GLU 52 HG1 GLU 52 4.344 -12.611 6.367 375 H GLU 53 HN GLU 53 8.972 -9.313 6.205 376 HA GLU 53 HA GLU 53 11.005 -10.558 4.646 377 HB2 GLU 53 HB2 GLU 53 11.256 -8.646 6.968 378 HB3 GLU 53 HB1 GLU 53 12.571 -9.128 5.904 379 HG2 GLU 53 HG2 GLU 53 11.340 -8.156 3.997 380 HG3 GLU 53 HG1 GLU 53 10.099 -7.599 5.119 381 H GLY 54 HN GLY 54 12.121 -12.304 5.046 382 HA2 GLY 54 HA2 GLY 54 11.625 -13.739 7.518 383 HA3 GLY 54 HA1 GLY 54 12.455 -14.354 6.095 384 H GLN 55 HN GLN 55 14.211 -15.185 7.165 385 HA GLN 55 HA GLN 55 15.556 -13.690 9.213 386 HB2 GLN 55 HB2 GLN 55 16.398 -16.223 7.800 387 HB3 GLN 55 HB1 GLN 55 17.101 -15.586 9.281 388 HG2 GLN 55 HG2 GLN 55 14.949 -15.873 10.416 389 HG3 GLN 55 HG1 GLN 55 14.264 -16.533 8.932 390 HE21 GLN 55 HE21 GLN 55 13.778 -18.493 9.917 391 HE22 GLN 55 HE22 GLN 55 15.009 -19.646 10.326 392 H ARG 56 HN ARG 56 16.058 -14.308 5.799 393 HA ARG 56 HA ARG 56 18.177 -12.313 5.780 394 HB2 ARG 56 HB2 ARG 56 19.626 -13.864 4.386 395 HB3 ARG 56 HB1 ARG 56 19.515 -14.236 6.098 396 HG2 ARG 56 HG2 ARG 56 19.316 -16.317 5.130 397 HG3 ARG 56 HG1 ARG 56 17.631 -15.863 5.375 398 HD2 ARG 56 HD2 ARG 56 17.572 -15.064 3.021 399 HD3 ARG 56 HD1 ARG 56 19.201 -15.701 2.806 400 HE ARG 56 HE ARG 56 17.049 -17.498 3.688 401 HH11 ARG 56 HH11 ARG 56 19.434 -16.558 1.293 402 HH12 ARG 56 HH12 ARG 56 19.207 -17.983 0.328 403 HH21 ARG 56 HH21 ARG 56 16.735 -19.357 2.408 404 HH22 ARG 56 HH22 ARG 56 17.671 -19.578 0.955 405 H GLY 57 HN GLY 57 15.387 -12.652 4.693 406 HA2 GLY 57 HA2 GLY 57 15.850 -11.381 2.205 407 HA3 GLY 57 HA1 GLY 57 15.390 -13.055 1.938 408 HA PRO 58 HA PRO 58 11.624 -10.281 3.079 409 HB2 PRO 58 HB2 PRO 58 11.547 -8.994 0.473 410 HB3 PRO 58 HB1 PRO 58 11.520 -8.259 2.077 411 HG2 PRO 58 HG2 PRO 58 13.631 -8.042 0.383 412 HG3 PRO 58 HG1 PRO 58 13.792 -8.015 2.149 413 HD2 PRO 58 HD2 PRO 58 14.300 -10.260 0.234 414 HD3 PRO 58 HD1 PRO 58 15.221 -9.776 1.675 415 H GLN 59 HN GLN 59 10.319 -12.041 2.935 416 HA GLN 59 HA GLN 59 9.836 -13.183 0.284 417 HB2 GLN 59 HB2 GLN 59 9.152 -14.221 3.040 418 HB3 GLN 59 HB1 GLN 59 8.746 -15.041 1.537 419 HG2 GLN 59 HG2 GLN 59 11.124 -15.221 0.990 420 HG3 GLN 59 HG1 GLN 59 11.530 -14.408 2.500 421 HE21 GLN 59 HE21 GLN 59 11.299 -15.508 4.436 422 HE22 GLN 59 HE22 GLN 59 11.138 -17.228 4.504 423 H ALA 60 HN ALA 60 7.884 -13.116 -0.683 424 HA ALA 60 HA ALA 60 6.073 -11.131 0.450 425 HB1 ALA 60 HB1 ALA 60 7.003 -10.763 -1.799 426 HB2 ALA 60 HB2 ALA 60 5.241 -10.830 -1.791 427 HB3 ALA 60 HB3 ALA 60 6.174 -12.216 -2.360 428 H ALA 61 HN ALA 61 3.898 -11.411 0.650 429 HA ALA 61 HA ALA 61 2.704 -13.993 -0.002 430 HB1 ALA 61 HB1 ALA 61 3.504 -14.258 2.298 431 HB2 ALA 61 HB2 ALA 61 1.741 -14.240 2.228 432 HB3 ALA 61 HB3 ALA 61 2.616 -12.809 2.769 433 H ASN 62 HN ASN 62 0.331 -13.883 0.124 434 HA ASN 62 HA ASN 62 -1.651 -12.937 -0.460 435 HB2 ASN 62 HB2 ASN 62 -0.636 -10.376 0.792 436 HB3 ASN 62 HB1 ASN 62 -2.313 -10.806 0.468 437 HD21 ASN 62 HD21 ASN 62 0.404 -11.212 2.516 438 HD22 ASN 62 HD22 ASN 62 -0.405 -12.062 3.798 439 H VAL 63 HN VAL 63 -1.195 -13.067 -2.686 440 HA VAL 63 HA VAL 63 -0.122 -10.741 -4.024 441 HB VAL 63 HB VAL 63 -1.547 -13.143 -5.202 442 HG11 VAL 63 HG11 VAL 63 -0.582 -12.460 -7.328 443 HG12 VAL 63 HG12 VAL 63 0.144 -11.048 -6.561 444 HG13 VAL 63 HG13 VAL 63 -1.611 -11.186 -6.674 445 HG21 VAL 63 HG21 VAL 63 0.522 -13.777 -4.074 446 HG22 VAL 63 HG22 VAL 63 1.403 -12.569 -5.011 447 HG23 VAL 63 HG23 VAL 63 0.661 -13.948 -5.823 448 H GLN 64 HN GLN 64 -1.262 -9.092 -4.889 449 HA GLN 64 HA GLN 64 -4.169 -9.436 -5.218 450 HB2 GLN 64 HB2 GLN 64 -3.648 -7.789 -3.444 451 HB3 GLN 64 HB1 GLN 64 -2.683 -6.874 -4.591 452 HG2 GLN 64 HG2 GLN 64 -4.726 -6.556 -5.966 453 HG3 GLN 64 HG1 GLN 64 -5.651 -7.339 -4.688 454 HE21 GLN 64 HE21 GLN 64 -5.965 -6.265 -2.736 455 HE22 GLN 64 HE22 GLN 64 -5.690 -4.564 -2.574 456 H LYS 65 HN LYS 65 -4.846 -9.244 -7.271 457 HA LYS 65 HA LYS 65 -2.846 -8.901 -9.307 458 HB2 LYS 65 HB2 LYS 65 -4.765 -10.574 -9.353 459 HB3 LYS 65 HB1 LYS 65 -5.813 -9.216 -9.736 460 HG2 LYS 65 HG2 LYS 65 -5.181 -10.417 -11.741 461 HG3 LYS 65 HG1 LYS 65 -4.511 -8.784 -11.759 462 HD2 LYS 65 HD2 LYS 65 -2.346 -9.600 -11.131 463 HD3 LYS 65 HD1 LYS 65 -2.984 -11.224 -10.870 464 HE2 LYS 65 HE2 LYS 65 -2.948 -9.789 -13.525 465 HE3 LYS 65 HE1 LYS 65 -1.756 -10.983 -13.012 466 HZ1 LYS 65 HZ1 LYS 65 -3.647 -12.573 -12.766 467 HZ2 LYS 65 HZ2 LYS 65 -3.346 -12.081 -14.358 468 HZ3 LYS 65 HZ3 LYS 65 -4.649 -11.422 -13.503 469 H ALA 66 HN ALA 66 -2.496 -7.177 -10.571 470 HA ALA 66 HA ALA 66 -4.230 -4.840 -10.164 471 HB1 ALA 66 HB1 ALA 66 -1.972 -4.507 -9.314 472 HB2 ALA 66 HB2 ALA 66 -2.276 -3.466 -10.705 473 HB3 ALA 66 HB3 ALA 66 -1.303 -4.924 -10.893 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 1.673 -6.331 2.245 2 H2 MET 1 HT2 MET 1 2.988 -5.253 2.221 3 H3 MET 1 HT3 MET 1 2.696 -6.258 0.897 4 HA MET 1 HA MET 1 0.688 -5.154 0.365 5 HB2 MET 1 HB2 MET 1 1.280 -3.501 2.822 6 HB3 MET 1 HB1 MET 1 0.065 -3.078 1.627 7 HG2 MET 1 HG2 MET 1 -1.113 -5.172 2.099 8 HG3 MET 1 HG1 MET 1 0.096 -5.571 3.316 9 HE1 MET 1 HE1 MET 1 -3.033 -5.540 3.852 10 HE2 MET 1 HE2 MET 1 -3.120 -4.724 5.413 11 HE3 MET 1 HE3 MET 1 -1.864 -5.923 5.114 12 H GLU 2 HN GLU 2 2.232 -4.980 -1.333 13 HA GLU 2 HA GLU 2 2.762 -2.265 -2.011 14 HB2 GLU 2 HB2 GLU 2 4.743 -2.831 -0.539 15 HB3 GLU 2 HB1 GLU 2 5.191 -4.056 -1.718 16 HG2 GLU 2 HG2 GLU 2 5.483 -2.344 -3.417 17 HG3 GLU 2 HG1 GLU 2 4.967 -1.104 -2.276 18 H GLN 3 HN GLN 3 3.281 -2.110 -4.295 19 HA GLN 3 HA GLN 3 2.401 -4.483 -5.720 20 HB2 GLN 3 HB2 GLN 3 1.419 -2.314 -6.305 21 HB3 GLN 3 HB1 GLN 3 3.007 -1.705 -6.745 22 HG2 GLN 3 HG2 GLN 3 3.157 -3.305 -8.551 23 HG3 GLN 3 HG1 GLN 3 1.607 -4.006 -8.085 24 HE21 GLN 3 HE21 GLN 3 -0.287 -2.911 -8.554 25 HE22 GLN 3 HE22 GLN 3 -0.334 -1.558 -9.628 26 H GLY 4 HN GLY 4 3.690 -5.845 -6.748 27 HA2 GLY 4 HA2 GLY 4 6.512 -5.043 -7.106 28 HA3 GLY 4 HA1 GLY 4 6.026 -6.659 -6.614 29 H THR 5 HN THR 5 7.674 -6.210 -8.794 30 HA THR 5 HA THR 5 5.896 -6.877 -11.051 31 HB THR 5 HB THR 5 8.668 -5.670 -11.219 32 HG1 THR 5 HG1 THR 5 6.304 -4.535 -10.676 33 HG21 THR 5 HG21 THR 5 8.108 -5.329 -13.580 34 HG22 THR 5 HG22 THR 5 6.547 -6.110 -13.330 35 HG23 THR 5 HG23 THR 5 8.036 -7.041 -13.163 36 H VAL 6 HN VAL 6 6.085 -8.860 -11.861 37 HA VAL 6 HA VAL 6 7.762 -10.782 -10.635 38 HB VAL 6 HB VAL 6 6.182 -11.010 -13.202 39 HG11 VAL 6 HG11 VAL 6 7.300 -13.166 -11.413 40 HG12 VAL 6 HG12 VAL 6 7.900 -12.735 -13.014 41 HG13 VAL 6 HG13 VAL 6 6.285 -13.420 -12.834 42 HG21 VAL 6 HG21 VAL 6 4.763 -10.414 -11.329 43 HG22 VAL 6 HG22 VAL 6 5.447 -11.721 -10.365 44 HG23 VAL 6 HG23 VAL 6 4.483 -12.092 -11.793 45 H LYS 7 HN LYS 7 9.849 -11.168 -11.015 46 HA LYS 7 HA LYS 7 11.076 -10.167 -13.454 47 HB2 LYS 7 HB2 LYS 7 12.176 -9.808 -11.262 48 HB3 LYS 7 HB1 LYS 7 12.344 -11.549 -11.082 49 HG2 LYS 7 HG2 LYS 7 13.762 -11.611 -13.079 50 HG3 LYS 7 HG1 LYS 7 13.609 -9.860 -13.229 51 HD2 LYS 7 HD2 LYS 7 14.829 -11.334 -10.891 52 HD3 LYS 7 HD1 LYS 7 15.721 -10.491 -12.158 53 HE2 LYS 7 HE2 LYS 7 13.787 -9.224 -10.220 54 HE3 LYS 7 HE1 LYS 7 15.545 -9.148 -10.118 55 HZ1 LYS 7 HZ1 LYS 7 13.818 -7.961 -12.225 56 HZ2 LYS 7 HZ2 LYS 7 15.511 -8.036 -12.333 57 HZ3 LYS 7 HZ3 LYS 7 14.780 -7.138 -11.090 58 H TRP 8 HN TRP 8 11.219 -13.256 -11.654 59 HA TRP 8 HA TRP 8 10.511 -14.849 -13.883 60 HB2 TRP 8 HB2 TRP 8 12.750 -14.213 -14.698 61 HB3 TRP 8 HB1 TRP 8 13.467 -14.814 -13.207 62 HD1 TRP 8 HD1 TRP 8 14.339 -17.216 -13.313 63 HE1 TRP 8 HE1 TRP 8 13.964 -19.257 -14.841 64 HE3 TRP 8 HE3 TRP 8 10.663 -15.312 -16.312 65 HZ2 TRP 8 HZ2 TRP 8 12.323 -19.959 -17.030 66 HZ3 TRP 8 HZ3 TRP 8 9.745 -16.732 -18.098 67 HH2 TRP 8 HH2 TRP 8 10.558 -19.006 -18.449 68 H PHE 9 HN PHE 9 10.082 -16.930 -13.257 69 HA PHE 9 HA PHE 9 10.549 -17.557 -10.431 70 HB2 PHE 9 HB2 PHE 9 8.512 -18.476 -12.441 71 HB3 PHE 9 HB1 PHE 9 8.840 -19.430 -11.000 72 HD1 PHE 9 HD2 PHE 9 7.625 -16.157 -12.205 73 HD2 PHE 9 HD1 PHE 9 7.991 -18.813 -8.901 74 HE1 PHE 9 HE2 PHE 9 6.065 -14.762 -10.912 75 HE2 PHE 9 HE1 PHE 9 6.431 -17.425 -7.604 76 HZ PHE 9 HZ PHE 9 5.467 -15.396 -8.610 77 H ASN 10 HN ASN 10 12.416 -18.639 -10.180 78 HA ASN 10 HA ASN 10 13.429 -20.411 -12.182 79 HB2 ASN 10 HB2 ASN 10 15.209 -20.930 -10.544 80 HB3 ASN 10 HB1 ASN 10 15.000 -19.203 -10.783 81 HD21 ASN 10 HD21 ASN 10 15.195 -21.700 -8.553 82 HD22 ASN 10 HD22 ASN 10 14.730 -20.811 -7.141 83 H ALA 11 HN ALA 11 11.594 -21.705 -12.439 84 HA ALA 11 HA ALA 11 10.375 -23.218 -10.402 85 HB1 ALA 11 HB1 ALA 11 10.399 -23.745 -13.368 86 HB2 ALA 11 HB2 ALA 11 9.280 -22.668 -12.527 87 HB3 ALA 11 HB3 ALA 11 9.256 -24.403 -12.197 88 H GLU 12 HN GLU 12 13.348 -23.615 -11.912 89 HA GLU 12 HA GLU 12 13.674 -26.381 -12.033 90 HB2 GLU 12 HB2 GLU 12 15.709 -24.265 -11.303 91 HB3 GLU 12 HB1 GLU 12 16.084 -25.905 -11.818 92 HG2 GLU 12 HG2 GLU 12 15.162 -25.493 -13.996 93 HG3 GLU 12 HG1 GLU 12 14.586 -23.905 -13.488 94 H LYS 13 HN LYS 13 14.022 -24.119 -9.334 95 HA LYS 13 HA LYS 13 14.214 -26.432 -7.518 96 HB2 LYS 13 HB2 LYS 13 15.074 -23.559 -7.140 97 HB3 LYS 13 HB1 LYS 13 15.024 -24.735 -5.833 98 HG2 LYS 13 HG2 LYS 13 16.646 -26.127 -7.005 99 HG3 LYS 13 HG1 LYS 13 16.683 -24.973 -8.338 100 HD2 LYS 13 HD2 LYS 13 17.569 -23.259 -6.853 101 HD3 LYS 13 HD1 LYS 13 17.477 -24.375 -5.487 102 HE2 LYS 13 HE2 LYS 13 19.098 -25.835 -6.519 103 HE3 LYS 13 HE1 LYS 13 19.127 -24.832 -7.968 104 HZ1 LYS 13 HZ1 LYS 13 21.029 -24.379 -6.576 105 HZ2 LYS 13 HZ2 LYS 13 20.026 -23.998 -5.258 106 HZ3 LYS 13 HZ3 LYS 13 20.024 -23.017 -6.639 107 H GLY 14 HN GLY 14 12.128 -24.121 -8.702 108 HA2 GLY 14 HA2 GLY 14 9.838 -24.059 -8.242 109 HA3 GLY 14 HA1 GLY 14 10.141 -24.919 -6.739 110 H PHE 15 HN PHE 15 11.540 -21.897 -7.967 111 HA PHE 15 HA PHE 15 10.177 -20.434 -5.826 112 HB2 PHE 15 HB2 PHE 15 13.170 -20.411 -6.296 113 HB3 PHE 15 HB1 PHE 15 12.322 -19.242 -5.291 114 HD1 PHE 15 HD1 PHE 15 11.028 -20.128 -3.285 115 HD2 PHE 15 HD2 PHE 15 13.904 -22.432 -5.414 116 HE1 PHE 15 HE1 PHE 15 11.252 -21.629 -1.350 117 HE2 PHE 15 HE2 PHE 15 14.132 -23.938 -3.482 118 HZ PHE 15 HZ PHE 15 12.804 -23.538 -1.447 119 H GLY 16 HN GLY 16 11.222 -17.959 -6.182 120 HA2 GLY 16 HA2 GLY 16 11.711 -17.342 -8.936 121 HA3 GLY 16 HA1 GLY 16 10.083 -16.904 -8.436 122 H PHE 17 HN PHE 17 11.795 -14.997 -9.323 123 HA PHE 17 HA PHE 17 12.385 -13.496 -6.859 124 HB2 PHE 17 HB2 PHE 17 13.693 -13.126 -9.566 125 HB3 PHE 17 HB1 PHE 17 14.093 -12.267 -8.083 126 HD1 PHE 17 HD2 PHE 17 15.169 -13.504 -6.206 127 HD2 PHE 17 HD1 PHE 17 14.615 -15.236 -10.055 128 HE1 PHE 17 HE2 PHE 17 16.855 -15.218 -5.676 129 HE2 PHE 17 HE1 PHE 17 16.301 -16.947 -9.532 130 HZ PHE 17 HZ PHE 17 17.421 -16.941 -7.341 131 H ILE 18 HN ILE 18 11.401 -11.580 -6.627 132 HA ILE 18 HA ILE 18 10.087 -10.365 -8.957 133 HB ILE 18 HB ILE 18 8.802 -10.934 -6.282 134 HG12 ILE 18 HG12 ILE 18 8.108 -11.616 -9.140 135 HG13 ILE 18 HG11 ILE 18 8.611 -12.727 -7.879 136 HG21 ILE 18 HG21 ILE 18 6.854 -9.629 -7.086 137 HG22 ILE 18 HG22 ILE 18 7.838 -9.050 -8.431 138 HG23 ILE 18 HG23 ILE 18 8.277 -8.638 -6.773 139 HD11 ILE 18 HD11 ILE 18 6.036 -11.179 -7.945 140 HD12 ILE 18 HD12 ILE 18 6.536 -12.296 -6.677 141 HD13 ILE 18 HD13 ILE 18 6.235 -12.889 -8.312 142 H GLU 19 HN GLU 19 9.968 -8.097 -8.904 143 HA GLU 19 HA GLU 19 11.958 -6.929 -7.084 144 HB2 GLU 19 HB2 GLU 19 11.924 -6.825 -9.743 145 HB3 GLU 19 HB1 GLU 19 10.871 -5.452 -9.436 146 HG2 GLU 19 HG2 GLU 19 12.888 -4.403 -9.525 147 HG3 GLU 19 HG1 GLU 19 12.802 -4.753 -7.798 148 H ARG 20 HN ARG 20 11.559 -4.933 -6.038 149 HA ARG 20 HA ARG 20 8.701 -4.243 -5.775 150 HB2 ARG 20 HB2 ARG 20 10.933 -4.166 -3.750 151 HB3 ARG 20 HB1 ARG 20 9.403 -3.341 -3.510 152 HG2 ARG 20 HG2 ARG 20 8.230 -5.466 -3.595 153 HG3 ARG 20 HG1 ARG 20 9.762 -6.302 -3.874 154 HD2 ARG 20 HD2 ARG 20 9.011 -6.347 -1.498 155 HD3 ARG 20 HD1 ARG 20 10.602 -5.625 -1.739 156 HE ARG 20 HE ARG 20 8.490 -3.677 -1.743 157 HH11 ARG 20 HH11 ARG 20 10.677 -5.525 0.301 158 HH12 ARG 20 HH12 ARG 20 10.505 -4.452 1.664 159 HH21 ARG 20 HH21 ARG 20 8.289 -2.260 0.032 160 HH22 ARG 20 HH22 ARG 20 9.179 -2.585 1.497 161 H GLU 21 HN GLU 21 8.429 -1.956 -4.916 162 HA GLU 21 HA GLU 21 10.052 -0.098 -6.439 163 HB2 GLU 21 HB2 GLU 21 7.607 0.211 -6.270 164 HB3 GLU 21 HB1 GLU 21 7.751 0.392 -4.529 165 HG2 GLU 21 HG2 GLU 21 7.487 2.541 -5.617 166 HG3 GLU 21 HG1 GLU 21 9.061 2.420 -4.833 167 H ASN 22 HN ASN 22 9.533 -1.096 -3.116 168 HA ASN 22 HA ASN 22 11.522 0.865 -2.195 169 HB2 ASN 22 HB2 ASN 22 9.422 -0.725 -0.724 170 HB3 ASN 22 HB1 ASN 22 10.665 0.209 0.100 171 HD21 ASN 22 HD21 ASN 22 7.682 0.419 -0.115 172 HD22 ASN 22 HD22 ASN 22 7.404 2.075 -0.528 173 H GLY 23 HN GLY 23 11.648 -2.124 -3.359 174 HA2 GLY 23 HA2 GLY 23 14.017 -2.787 -1.832 175 HA3 GLY 23 HA1 GLY 23 12.686 -3.917 -1.631 176 H ASP 24 HN ASP 24 15.170 -4.652 -2.685 177 HA ASP 24 HA ASP 24 14.463 -5.178 -5.501 178 HB2 ASP 24 HB2 ASP 24 16.827 -5.285 -6.044 179 HB3 ASP 24 HB1 ASP 24 16.483 -3.743 -5.271 180 H ASP 25 HN ASP 25 14.876 -7.206 -6.328 181 HA ASP 25 HA ASP 25 14.939 -9.478 -6.336 182 HB2 ASP 25 HB2 ASP 25 17.368 -8.657 -6.019 183 HB3 ASP 25 HB1 ASP 25 17.210 -9.276 -4.378 184 H VAL 26 HN VAL 26 12.909 -9.685 -5.223 185 HA VAL 26 HA VAL 26 13.139 -10.566 -2.428 186 HB VAL 26 HB VAL 26 10.643 -9.888 -4.000 187 HG11 VAL 26 HG11 VAL 26 10.258 -11.472 -2.176 188 HG12 VAL 26 HG12 VAL 26 9.525 -9.905 -1.836 189 HG13 VAL 26 HG13 VAL 26 11.033 -10.363 -1.046 190 HG21 VAL 26 HG21 VAL 26 12.021 -7.914 -3.695 191 HG22 VAL 26 HG22 VAL 26 12.159 -8.252 -1.968 192 HG23 VAL 26 HG23 VAL 26 10.592 -7.828 -2.662 193 H PHE 27 HN PHE 27 12.620 -12.626 -1.842 194 HA PHE 27 HA PHE 27 12.472 -14.561 -3.983 195 HB2 PHE 27 HB2 PHE 27 12.645 -14.905 -0.985 196 HB3 PHE 27 HB1 PHE 27 12.698 -16.224 -2.148 197 HD1 PHE 27 HD2 PHE 27 14.623 -16.489 -3.632 198 HD2 PHE 27 HD1 PHE 27 14.537 -13.495 -0.611 199 HE1 PHE 27 HE2 PHE 27 17.058 -16.220 -3.836 200 HE2 PHE 27 HE1 PHE 27 16.973 -13.215 -0.815 201 HZ PHE 27 HZ PHE 27 18.236 -14.581 -2.428 202 H VAL 28 HN VAL 28 10.631 -15.172 -4.817 203 HA VAL 28 HA VAL 28 8.249 -15.247 -3.092 204 HB VAL 28 HB VAL 28 7.934 -13.780 -5.002 205 HG11 VAL 28 HG11 VAL 28 9.567 -14.697 -6.524 206 HG12 VAL 28 HG12 VAL 28 7.984 -14.639 -7.301 207 HG13 VAL 28 HG13 VAL 28 8.616 -16.171 -6.698 208 HG21 VAL 28 HG21 VAL 28 6.426 -16.374 -5.304 209 HG22 VAL 28 HG22 VAL 28 5.947 -14.832 -6.013 210 HG23 VAL 28 HG23 VAL 28 5.992 -15.021 -4.259 211 H HIS 29 HN HIS 29 6.972 -17.066 -3.063 212 HA HIS 29 HA HIS 29 7.955 -19.460 -4.400 213 HB2 HIS 29 HB2 HIS 29 7.442 -20.602 -2.048 214 HB3 HIS 29 HB1 HIS 29 9.031 -19.960 -2.441 215 HD1 HIS 29 HD1 HIS 29 9.989 -18.367 -0.787 216 HD2 HIS 29 HD2 HIS 29 5.854 -18.681 -0.428 217 HE1 HIS 29 HE1 HIS 29 9.373 -16.971 1.203 218 HE2 HIS 29 HE2 HIS 29 6.897 -17.286 1.496 219 H PHE 30 HN PHE 30 6.329 -21.331 -3.975 220 HA PHE 30 HA PHE 30 3.911 -20.372 -5.107 221 HB2 PHE 30 HB2 PHE 30 4.665 -23.132 -4.149 222 HB3 PHE 30 HB1 PHE 30 3.185 -22.756 -5.028 223 HD1 PHE 30 HD2 PHE 30 3.353 -21.847 -7.357 224 HD2 PHE 30 HD1 PHE 30 6.695 -23.474 -5.284 225 HE1 PHE 30 HE2 PHE 30 4.537 -22.131 -9.493 226 HE2 PHE 30 HE1 PHE 30 7.884 -23.758 -7.418 227 HZ PHE 30 HZ PHE 30 6.805 -23.088 -9.527 228 H SER 31 HN SER 31 4.845 -20.646 -1.886 229 HA SER 31 HA SER 31 2.350 -21.154 -0.659 230 HB2 SER 31 HB2 SER 31 4.489 -19.338 0.455 231 HB3 SER 31 HB1 SER 31 3.368 -20.373 1.339 232 HG SER 31 HG SER 31 4.466 -22.173 0.242 233 H ALA 32 HN ALA 32 3.620 -18.461 -2.357 234 HA ALA 32 HA ALA 32 1.757 -16.534 -1.222 235 HB1 ALA 32 HB1 ALA 32 3.758 -16.223 -3.461 236 HB2 ALA 32 HB2 ALA 32 4.056 -15.850 -1.764 237 HB3 ALA 32 HB3 ALA 32 2.861 -14.923 -2.674 238 H ILE 33 HN ILE 33 1.919 -18.749 -3.791 239 HA ILE 33 HA ILE 33 0.303 -17.349 -5.678 240 HB ILE 33 HB ILE 33 1.470 -20.082 -5.477 241 HG12 ILE 33 HG12 ILE 33 2.247 -19.518 -7.759 242 HG13 ILE 33 HG11 ILE 33 1.365 -17.998 -7.666 243 HG21 ILE 33 HG21 ILE 33 -0.743 -19.420 -7.411 244 HG22 ILE 33 HG22 ILE 33 -0.830 -20.582 -6.087 245 HG23 ILE 33 HG23 ILE 33 0.261 -20.870 -7.443 246 HD11 ILE 33 HD11 ILE 33 2.796 -17.320 -5.783 247 HD12 ILE 33 HD12 ILE 33 3.705 -17.630 -7.261 248 HD13 ILE 33 HD13 ILE 33 3.704 -18.821 -5.961 249 H GLN 34 HN GLN 34 -1.837 -17.373 -5.958 250 HA GLN 34 HA GLN 34 -3.453 -18.303 -3.765 251 HB2 GLN 34 HB2 GLN 34 -5.296 -17.156 -5.034 252 HB3 GLN 34 HB1 GLN 34 -3.945 -16.123 -4.588 253 HG2 GLN 34 HG2 GLN 34 -3.068 -16.229 -6.832 254 HG3 GLN 34 HG1 GLN 34 -4.326 -17.373 -7.299 255 HE21 GLN 34 HE21 GLN 34 -3.626 -14.070 -6.436 256 HE22 GLN 34 HE22 GLN 34 -5.097 -13.391 -7.053 257 H GLY 35 HN GLY 35 -5.824 -18.995 -4.719 258 HA2 GLY 35 HA2 GLY 35 -5.283 -21.611 -5.874 259 HA3 GLY 35 HA1 GLY 35 -6.785 -21.091 -5.127 260 H ASP 36 HN ASP 36 -8.357 -21.232 -6.554 261 HA ASP 36 HA ASP 36 -7.951 -21.275 -9.353 262 HB2 ASP 36 HB2 ASP 36 -10.476 -21.022 -7.715 263 HB3 ASP 36 HB1 ASP 36 -10.466 -21.205 -9.466 264 H GLY 37 HN GLY 37 -7.868 -19.725 -10.804 265 HA2 GLY 37 HA2 GLY 37 -9.262 -17.528 -11.278 266 HA3 GLY 37 HA1 GLY 37 -8.262 -16.963 -9.946 267 H PHE 38 HN PHE 38 -6.012 -16.841 -10.221 268 HA PHE 38 HA PHE 38 -4.861 -17.565 -12.768 269 HB2 PHE 38 HB2 PHE 38 -5.775 -15.188 -12.998 270 HB3 PHE 38 HB1 PHE 38 -4.546 -14.711 -11.830 271 HD1 PHE 38 HD2 PHE 38 -4.565 -16.955 -14.815 272 HD2 PHE 38 HD1 PHE 38 -2.817 -13.609 -12.851 273 HE1 PHE 38 HE2 PHE 38 -2.935 -16.737 -16.645 274 HE2 PHE 38 HE1 PHE 38 -1.187 -13.383 -14.680 275 HZ PHE 38 HZ PHE 38 -1.246 -14.948 -16.579 276 H LYS 39 HN LYS 39 -3.724 -19.027 -11.526 277 HA LYS 39 HA LYS 39 -2.096 -18.006 -9.328 278 HB2 LYS 39 HB2 LYS 39 -1.615 -20.584 -9.108 279 HB3 LYS 39 HB1 LYS 39 -3.121 -19.891 -8.530 280 HG2 LYS 39 HG2 LYS 39 -3.677 -21.886 -9.661 281 HG3 LYS 39 HG1 LYS 39 -4.158 -20.562 -10.718 282 HD2 LYS 39 HD2 LYS 39 -2.053 -20.870 -11.989 283 HD3 LYS 39 HD1 LYS 39 -1.673 -22.256 -10.964 284 HE2 LYS 39 HE2 LYS 39 -4.052 -21.973 -12.799 285 HE3 LYS 39 HE1 LYS 39 -2.647 -23.006 -13.057 286 HZ1 LYS 39 HZ1 LYS 39 -3.261 -24.248 -11.054 287 HZ2 LYS 39 HZ2 LYS 39 -4.496 -24.287 -12.219 288 HZ3 LYS 39 HZ3 LYS 39 -4.643 -23.277 -10.867 289 H SER 40 HN SER 40 -1.658 -18.163 -12.499 290 HA SER 40 HA SER 40 1.176 -18.913 -12.262 291 HB2 SER 40 HB2 SER 40 -0.545 -18.713 -14.750 292 HB3 SER 40 HB1 SER 40 1.151 -19.199 -14.708 293 HG SER 40 HG SER 40 0.130 -20.796 -13.021 294 H LEU 41 HN LEU 41 2.739 -17.399 -12.772 295 HA LEU 41 HA LEU 41 1.714 -14.699 -13.333 296 HB2 LEU 41 HB2 LEU 41 4.044 -15.463 -11.577 297 HB3 LEU 41 HB1 LEU 41 3.542 -13.823 -11.938 298 HG LEU 41 HG LEU 41 1.915 -15.861 -10.408 299 HD11 LEU 41 HD11 LEU 41 3.320 -13.362 -9.463 300 HD12 LEU 41 HD12 LEU 41 3.866 -15.014 -9.178 301 HD13 LEU 41 HD13 LEU 41 2.349 -14.456 -8.479 302 HD21 LEU 41 HD21 LEU 41 0.500 -14.337 -11.685 303 HD22 LEU 41 HD22 LEU 41 1.363 -12.953 -11.012 304 HD23 LEU 41 HD23 LEU 41 0.399 -13.990 -9.959 305 H ASP 42 HN ASP 42 2.542 -13.678 -15.014 306 HA ASP 42 HA ASP 42 4.767 -14.897 -16.451 307 HB2 ASP 42 HB2 ASP 42 2.629 -12.928 -17.211 308 HB3 ASP 42 HB1 ASP 42 4.068 -13.124 -18.205 309 H GLU 43 HN GLU 43 6.646 -13.856 -16.918 310 HA GLU 43 HA GLU 43 7.539 -11.925 -15.083 311 HB2 GLU 43 HB2 GLU 43 9.460 -11.758 -16.937 312 HB3 GLU 43 HB1 GLU 43 9.354 -13.076 -15.782 313 HG2 GLU 43 HG2 GLU 43 9.830 -13.947 -17.962 314 HG3 GLU 43 HG1 GLU 43 8.213 -14.446 -17.483 315 H GLY 44 HN GLY 44 7.700 -9.781 -15.137 316 HA2 GLY 44 HA2 GLY 44 7.871 -7.687 -16.233 317 HA3 GLY 44 HA1 GLY 44 7.133 -8.401 -17.657 318 H GLN 45 HN GLN 45 5.135 -9.587 -15.441 319 HA GLN 45 HA GLN 45 3.340 -7.304 -15.757 320 HB2 GLN 45 HB2 GLN 45 1.542 -8.728 -15.354 321 HB3 GLN 45 HB1 GLN 45 2.678 -9.752 -16.217 322 HG2 GLN 45 HG2 GLN 45 3.368 -10.791 -14.150 323 HG3 GLN 45 HG1 GLN 45 2.320 -9.711 -13.229 324 HE21 GLN 45 HE21 GLN 45 2.299 -12.598 -13.339 325 HE22 GLN 45 HE22 GLN 45 0.724 -13.056 -13.892 326 H ALA 46 HN ALA 46 2.134 -6.420 -14.007 327 HA ALA 46 HA ALA 46 3.660 -6.409 -11.503 328 HB1 ALA 46 HB1 ALA 46 2.626 -4.271 -11.052 329 HB2 ALA 46 HB2 ALA 46 1.596 -4.436 -12.473 330 HB3 ALA 46 HB3 ALA 46 3.341 -4.251 -12.664 331 H VAL 47 HN VAL 47 2.719 -6.819 -9.565 332 HA VAL 47 HA VAL 47 -0.162 -7.278 -9.408 333 HB VAL 47 HB VAL 47 0.191 -9.385 -8.099 334 HG11 VAL 47 HG11 VAL 47 0.538 -10.850 -10.044 335 HG12 VAL 47 HG12 VAL 47 1.087 -9.456 -10.974 336 HG13 VAL 47 HG13 VAL 47 -0.573 -9.525 -10.387 337 HG21 VAL 47 HG21 VAL 47 2.539 -9.073 -7.538 338 HG22 VAL 47 HG22 VAL 47 2.977 -9.243 -9.236 339 HG23 VAL 47 HG23 VAL 47 2.287 -10.611 -8.364 340 H THR 48 HN THR 48 -0.925 -7.268 -7.168 341 HA THR 48 HA THR 48 0.772 -5.684 -5.423 342 HB THR 48 HB THR 48 -1.957 -6.809 -4.771 343 HG1 THR 48 HG1 THR 48 -2.629 -5.525 -6.320 344 HG21 THR 48 HG21 THR 48 -2.085 -4.911 -3.235 345 HG22 THR 48 HG22 THR 48 -0.476 -4.392 -3.732 346 HG23 THR 48 HG23 THR 48 -0.683 -5.918 -2.872 347 H PHE 49 HN PHE 49 1.782 -6.447 -3.601 348 HA PHE 49 HA PHE 49 1.620 -9.342 -3.120 349 HB2 PHE 49 HB2 PHE 49 3.537 -8.292 -4.708 350 HB3 PHE 49 HB1 PHE 49 4.309 -8.079 -3.145 351 HD1 PHE 49 HD2 PHE 49 2.659 -10.738 -2.245 352 HD2 PHE 49 HD1 PHE 49 5.505 -9.716 -5.227 353 HE1 PHE 49 HE2 PHE 49 3.406 -13.075 -2.323 354 HE2 PHE 49 HE1 PHE 49 6.260 -12.053 -5.315 355 HZ PHE 49 HZ PHE 49 5.208 -13.737 -3.860 356 H ASP 50 HN ASP 50 2.023 -9.965 -0.999 357 HA ASP 50 HA ASP 50 2.617 -7.768 0.870 358 HB2 ASP 50 HB2 ASP 50 0.613 -9.280 1.265 359 HB3 ASP 50 HB1 ASP 50 1.765 -10.563 1.629 360 H VAL 51 HN VAL 51 4.719 -7.481 1.119 361 HA VAL 51 HA VAL 51 6.472 -9.830 1.016 362 HB VAL 51 HB VAL 51 6.934 -8.261 -0.760 363 HG11 VAL 51 HG11 VAL 51 5.988 -6.257 0.201 364 HG12 VAL 51 HG12 VAL 51 7.652 -5.958 -0.298 365 HG13 VAL 51 HG13 VAL 51 7.273 -6.197 1.407 366 HG21 VAL 51 HG21 VAL 51 9.289 -7.798 -0.358 367 HG22 VAL 51 HG22 VAL 51 8.852 -9.393 0.256 368 HG23 VAL 51 HG23 VAL 51 9.055 -8.044 1.373 369 H GLU 52 HN GLU 52 7.937 -10.225 2.583 370 HA GLU 52 HA GLU 52 8.108 -8.374 4.855 371 HB2 GLU 52 HB2 GLU 52 7.759 -11.370 5.099 372 HB3 GLU 52 HB1 GLU 52 7.870 -10.216 6.422 373 HG2 GLU 52 HG2 GLU 52 5.762 -9.235 5.805 374 HG3 GLU 52 HG1 GLU 52 5.667 -10.252 4.370 375 H GLU 53 HN GLU 53 10.055 -8.681 6.142 376 HA GLU 53 HA GLU 53 12.239 -9.838 4.559 377 HB2 GLU 53 HB2 GLU 53 12.341 -8.086 7.030 378 HB3 GLU 53 HB1 GLU 53 13.732 -8.617 6.095 379 HG2 GLU 53 HG2 GLU 53 12.900 -7.387 4.155 380 HG3 GLU 53 HG1 GLU 53 11.506 -6.857 5.095 381 H GLY 54 HN GLY 54 12.712 -11.897 4.971 382 HA2 GLY 54 HA2 GLY 54 11.835 -13.004 7.542 383 HA3 GLY 54 HA1 GLY 54 12.089 -13.919 6.065 384 H GLN 55 HN GLN 55 13.420 -15.419 6.967 385 HA GLN 55 HA GLN 55 15.641 -14.777 8.622 386 HB2 GLN 55 HB2 GLN 55 15.025 -17.296 7.066 387 HB3 GLN 55 HB1 GLN 55 16.222 -17.151 8.348 388 HG2 GLN 55 HG2 GLN 55 14.596 -16.887 9.999 389 HG3 GLN 55 HG1 GLN 55 13.341 -16.496 8.826 390 HE21 GLN 55 HE21 GLN 55 12.372 -18.132 7.659 391 HE22 GLN 55 HE22 GLN 55 12.459 -19.795 8.152 392 H ARG 56 HN ARG 56 16.949 -13.327 7.630 393 HA ARG 56 HA ARG 56 18.864 -12.728 6.586 394 HB2 ARG 56 HB2 ARG 56 19.626 -15.057 6.749 395 HB3 ARG 56 HB1 ARG 56 18.789 -15.439 5.251 396 HG2 ARG 56 HG2 ARG 56 20.235 -13.902 4.038 397 HG3 ARG 56 HG1 ARG 56 21.060 -13.486 5.541 398 HD2 ARG 56 HD2 ARG 56 20.952 -16.241 4.316 399 HD3 ARG 56 HD1 ARG 56 22.310 -15.125 4.183 400 HE ARG 56 HE ARG 56 21.371 -16.310 6.727 401 HH11 ARG 56 HH11 ARG 56 23.925 -15.139 4.637 402 HH12 ARG 56 HH12 ARG 56 25.195 -15.470 5.783 403 HH21 ARG 56 HH21 ARG 56 23.041 -16.749 8.244 404 HH22 ARG 56 HH22 ARG 56 24.691 -16.405 7.814 405 H GLY 57 HN GLY 57 16.461 -14.302 4.504 406 HA2 GLY 57 HA2 GLY 57 17.027 -12.223 2.482 407 HA3 GLY 57 HA1 GLY 57 16.463 -13.839 2.089 408 HA PRO 58 HA PRO 58 12.843 -10.784 2.842 409 HB2 PRO 58 HB2 PRO 58 12.866 -10.119 -0.004 410 HB3 PRO 58 HB1 PRO 58 12.829 -9.039 1.391 411 HG2 PRO 58 HG2 PRO 58 14.996 -9.266 -0.214 412 HG3 PRO 58 HG1 PRO 58 15.122 -8.908 1.518 413 HD2 PRO 58 HD2 PRO 58 15.525 -11.509 0.084 414 HD3 PRO 58 HD1 PRO 58 16.461 -10.802 1.420 415 H GLN 59 HN GLN 59 10.968 -11.840 2.765 416 HA GLN 59 HA GLN 59 10.558 -13.827 0.626 417 HB2 GLN 59 HB2 GLN 59 9.424 -15.253 2.244 418 HB3 GLN 59 HB1 GLN 59 11.054 -14.898 2.797 419 HG2 GLN 59 HG2 GLN 59 10.122 -13.155 4.283 420 HG3 GLN 59 HG1 GLN 59 8.503 -13.641 3.784 421 HE21 GLN 59 HE21 GLN 59 9.677 -13.654 6.415 422 HE22 GLN 59 HE22 GLN 59 9.602 -15.285 6.991 423 H ALA 60 HN ALA 60 8.493 -13.932 -0.272 424 HA ALA 60 HA ALA 60 6.636 -11.868 0.716 425 HB1 ALA 60 HB1 ALA 60 6.007 -11.384 -1.582 426 HB2 ALA 60 HB2 ALA 60 7.172 -12.577 -2.158 427 HB3 ALA 60 HB3 ALA 60 7.732 -11.128 -1.322 428 H ALA 61 HN ALA 61 4.476 -12.252 0.660 429 HA ALA 61 HA ALA 61 3.497 -14.821 -0.347 430 HB1 ALA 61 HB1 ALA 61 2.227 -15.229 1.707 431 HB2 ALA 61 HB2 ALA 61 2.951 -13.803 2.446 432 HB3 ALA 61 HB3 ALA 61 3.959 -15.189 2.033 433 H ASN 62 HN ASN 62 0.982 -14.792 -0.208 434 HA ASN 62 HA ASN 62 -0.965 -13.874 -0.957 435 HB2 ASN 62 HB2 ASN 62 0.103 -11.349 0.312 436 HB3 ASN 62 HB1 ASN 62 -1.541 -11.578 -0.266 437 HD21 ASN 62 HD21 ASN 62 -0.375 -10.977 2.316 438 HD22 ASN 62 HD22 ASN 62 -1.046 -12.135 3.425 439 H VAL 63 HN VAL 63 -0.533 -14.045 -3.179 440 HA VAL 63 HA VAL 63 0.389 -11.561 -4.403 441 HB VAL 63 HB VAL 63 -0.190 -14.215 -5.740 442 HG11 VAL 63 HG11 VAL 63 0.930 -13.262 -7.686 443 HG12 VAL 63 HG12 VAL 63 1.122 -11.733 -6.832 444 HG13 VAL 63 HG13 VAL 63 -0.489 -12.319 -7.240 445 HG21 VAL 63 HG21 VAL 63 2.442 -12.952 -4.994 446 HG22 VAL 63 HG22 VAL 63 2.253 -14.397 -5.990 447 HG23 VAL 63 HG23 VAL 63 1.740 -14.414 -4.301 448 H GLN 64 HN GLN 64 -1.120 -10.121 -4.858 449 HA GLN 64 HA GLN 64 -3.818 -11.045 -5.582 450 HB2 GLN 64 HB2 GLN 64 -3.589 -9.426 -3.698 451 HB3 GLN 64 HB1 GLN 64 -2.866 -8.279 -4.811 452 HG2 GLN 64 HG2 GLN 64 -4.980 -8.350 -6.135 453 HG3 GLN 64 HG1 GLN 64 -5.682 -9.324 -4.844 454 HE21 GLN 64 HE21 GLN 64 -7.223 -7.811 -4.306 455 HE22 GLN 64 HE22 GLN 64 -6.836 -6.301 -3.536 456 H LYS 65 HN LYS 65 -4.430 -10.910 -7.660 457 HA LYS 65 HA LYS 65 -2.536 -10.174 -9.632 458 HB2 LYS 65 HB2 LYS 65 -4.130 -12.004 -9.945 459 HB3 LYS 65 HB1 LYS 65 -5.465 -10.861 -9.899 460 HG2 LYS 65 HG2 LYS 65 -4.849 -11.598 -12.180 461 HG3 LYS 65 HG1 LYS 65 -4.752 -9.850 -11.950 462 HD2 LYS 65 HD2 LYS 65 -2.367 -9.956 -11.723 463 HD3 LYS 65 HD1 LYS 65 -2.403 -11.720 -11.744 464 HE2 LYS 65 HE2 LYS 65 -1.696 -10.847 -13.903 465 HE3 LYS 65 HE1 LYS 65 -3.250 -11.664 -14.042 466 HZ1 LYS 65 HZ1 LYS 65 -4.363 -9.556 -14.097 467 HZ2 LYS 65 HZ2 LYS 65 -3.133 -9.546 -15.268 468 HZ3 LYS 65 HZ3 LYS 65 -2.918 -8.715 -13.807 469 H ALA 66 HN ALA 66 -2.172 -8.279 -10.539 470 HA ALA 66 HA ALA 66 -4.178 -6.163 -10.374 471 HB1 ALA 66 HB1 ALA 66 -1.323 -6.045 -11.360 472 HB2 ALA 66 HB2 ALA 66 -1.867 -5.598 -9.743 473 HB3 ALA 66 HB3 ALA 66 -2.409 -4.672 -11.142 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 2.644 -4.352 3.183 2 H2 MET 1 HT2 MET 1 1.141 -5.105 3.403 3 H3 MET 1 HT3 MET 1 1.213 -3.462 2.981 4 HA MET 1 HA MET 1 2.086 -5.738 1.300 5 HB2 MET 1 HB2 MET 1 -0.259 -3.846 1.011 6 HB3 MET 1 HB1 MET 1 0.215 -5.060 -0.166 7 HG2 MET 1 HG2 MET 1 -1.609 -5.954 1.025 8 HG3 MET 1 HG1 MET 1 -0.173 -6.793 1.608 9 HE1 MET 1 HE1 MET 1 -2.473 -6.630 4.785 10 HE2 MET 1 HE2 MET 1 -1.533 -7.682 3.727 11 HE3 MET 1 HE3 MET 1 -2.969 -6.862 3.111 12 H GLU 2 HN GLU 2 2.657 -5.094 -0.878 13 HA GLU 2 HA GLU 2 3.420 -2.291 -1.221 14 HB2 GLU 2 HB2 GLU 2 5.253 -4.483 -0.764 15 HB3 GLU 2 HB1 GLU 2 5.528 -3.763 -2.343 16 HG2 GLU 2 HG2 GLU 2 5.434 -2.226 0.241 17 HG3 GLU 2 HG1 GLU 2 6.910 -2.783 -0.546 18 H GLN 3 HN GLN 3 3.539 -1.625 -3.364 19 HA GLN 3 HA GLN 3 2.306 -3.471 -5.287 20 HB2 GLN 3 HB2 GLN 3 1.117 -1.354 -4.904 21 HB3 GLN 3 HB1 GLN 3 2.563 -0.453 -5.335 22 HG2 GLN 3 HG2 GLN 3 0.946 -0.486 -7.157 23 HG3 GLN 3 HG1 GLN 3 2.445 -1.297 -7.607 24 HE21 GLN 3 HE21 GLN 3 1.386 -2.434 -9.247 25 HE22 GLN 3 HE22 GLN 3 0.339 -3.762 -8.903 26 H GLY 4 HN GLY 4 3.625 -4.399 -6.739 27 HA2 GLY 4 HA2 GLY 4 5.962 -2.896 -7.672 28 HA3 GLY 4 HA1 GLY 4 6.247 -4.433 -6.874 29 H THR 5 HN THR 5 7.307 -4.621 -9.091 30 HA THR 5 HA THR 5 5.362 -5.703 -11.019 31 HB THR 5 HB THR 5 8.087 -4.524 -11.613 32 HG1 THR 5 HG1 THR 5 5.590 -3.392 -11.330 33 HG21 THR 5 HG21 THR 5 7.381 -4.630 -13.951 34 HG22 THR 5 HG22 THR 5 5.856 -5.369 -13.465 35 HG23 THR 5 HG23 THR 5 7.372 -6.237 -13.223 36 H VAL 6 HN VAL 6 5.599 -7.785 -11.599 37 HA VAL 6 HA VAL 6 7.472 -9.446 -10.231 38 HB VAL 6 HB VAL 6 5.697 -10.129 -12.586 39 HG11 VAL 6 HG11 VAL 6 7.513 -11.731 -12.313 40 HG12 VAL 6 HG12 VAL 6 5.970 -12.453 -11.857 41 HG13 VAL 6 HG13 VAL 6 7.101 -11.926 -10.610 42 HG21 VAL 6 HG21 VAL 6 4.405 -9.337 -10.682 43 HG22 VAL 6 HG22 VAL 6 5.230 -10.488 -9.630 44 HG23 VAL 6 HG23 VAL 6 4.174 -11.068 -10.918 45 H LYS 7 HN LYS 7 9.493 -9.930 -10.788 46 HA LYS 7 HA LYS 7 10.559 -9.013 -13.309 47 HB2 LYS 7 HB2 LYS 7 11.913 -8.800 -11.282 48 HB3 LYS 7 HB1 LYS 7 11.854 -10.539 -11.040 49 HG2 LYS 7 HG2 LYS 7 12.984 -10.724 -13.320 50 HG3 LYS 7 HG1 LYS 7 13.307 -8.997 -13.164 51 HD2 LYS 7 HD2 LYS 7 14.131 -11.085 -11.147 52 HD3 LYS 7 HD1 LYS 7 15.185 -10.440 -12.406 53 HE2 LYS 7 HE2 LYS 7 13.835 -8.764 -10.298 54 HE3 LYS 7 HE1 LYS 7 15.475 -9.394 -10.159 55 HZ1 LYS 7 HZ1 LYS 7 14.437 -7.339 -12.007 56 HZ2 LYS 7 HZ2 LYS 7 15.843 -8.213 -12.385 57 HZ3 LYS 7 HZ3 LYS 7 15.785 -7.278 -10.978 58 H TRP 8 HN TRP 8 10.585 -12.160 -11.624 59 HA TRP 8 HA TRP 8 9.585 -13.703 -13.730 60 HB2 TRP 8 HB2 TRP 8 11.657 -12.964 -14.912 61 HB3 TRP 8 HB1 TRP 8 12.621 -13.700 -13.640 62 HD1 TRP 8 HD1 TRP 8 9.571 -15.399 -15.302 63 HE1 TRP 8 HE1 TRP 8 10.387 -17.549 -16.469 64 HE3 TRP 8 HE3 TRP 8 14.609 -14.836 -14.613 65 HZ2 TRP 8 HZ2 TRP 8 12.840 -18.816 -17.035 66 HZ3 TRP 8 HZ3 TRP 8 16.120 -16.558 -15.510 67 HH2 TRP 8 HH2 TRP 8 15.252 -18.506 -16.695 68 H PHE 9 HN PHE 9 9.557 -15.948 -13.199 69 HA PHE 9 HA PHE 9 10.594 -16.537 -10.507 70 HB2 PHE 9 HB2 PHE 9 8.703 -18.146 -10.278 71 HB3 PHE 9 HB1 PHE 9 8.173 -16.482 -10.451 72 HD1 PHE 9 HD1 PHE 9 7.587 -15.770 -12.935 73 HD2 PHE 9 HD2 PHE 9 7.669 -19.777 -11.503 74 HE1 PHE 9 HE1 PHE 9 6.100 -16.452 -14.770 75 HE2 PHE 9 HE2 PHE 9 6.184 -20.467 -13.339 76 HZ PHE 9 HZ PHE 9 5.397 -18.803 -14.975 77 H ASN 10 HN ASN 10 12.499 -17.619 -10.941 78 HA ASN 10 HA ASN 10 13.014 -18.448 -13.574 79 HB2 ASN 10 HB2 ASN 10 14.679 -19.351 -11.233 80 HB3 ASN 10 HB1 ASN 10 15.208 -18.925 -12.858 81 HD21 ASN 10 HD21 ASN 10 14.163 -17.720 -9.773 82 HD22 ASN 10 HD22 ASN 10 14.689 -16.089 -10.000 83 H ALA 11 HN ALA 11 11.633 -19.962 -14.219 84 HA ALA 11 HA ALA 11 10.529 -22.082 -13.000 85 HB1 ALA 11 HB1 ALA 11 9.909 -21.205 -15.201 86 HB2 ALA 11 HB2 ALA 11 9.994 -22.965 -15.164 87 HB3 ALA 11 HB3 ALA 11 11.297 -22.036 -15.905 88 H GLU 12 HN GLU 12 13.821 -22.075 -14.154 89 HA GLU 12 HA GLU 12 14.201 -24.841 -14.389 90 HB2 GLU 12 HB2 GLU 12 16.228 -22.821 -13.416 91 HB3 GLU 12 HB1 GLU 12 16.566 -24.390 -14.139 92 HG2 GLU 12 HG2 GLU 12 15.432 -21.946 -15.463 93 HG3 GLU 12 HG1 GLU 12 16.948 -22.775 -15.815 94 H LYS 13 HN LYS 13 14.041 -22.726 -11.640 95 HA LYS 13 HA LYS 13 14.073 -25.096 -9.886 96 HB2 LYS 13 HB2 LYS 13 14.690 -22.204 -9.247 97 HB3 LYS 13 HB1 LYS 13 14.552 -23.474 -8.041 98 HG2 LYS 13 HG2 LYS 13 16.458 -23.917 -10.261 99 HG3 LYS 13 HG1 LYS 13 16.880 -22.696 -9.061 100 HD2 LYS 13 HD2 LYS 13 17.830 -24.836 -8.438 101 HD3 LYS 13 HD1 LYS 13 16.584 -24.373 -7.280 102 HE2 LYS 13 HE2 LYS 13 14.998 -25.869 -8.400 103 HE3 LYS 13 HE1 LYS 13 16.246 -26.323 -9.558 104 HZ1 LYS 13 HZ1 LYS 13 16.445 -26.754 -6.624 105 HZ2 LYS 13 HZ2 LYS 13 17.531 -27.299 -7.807 106 HZ3 LYS 13 HZ3 LYS 13 15.958 -27.939 -7.740 107 H GLY 14 HN GLY 14 12.292 -22.497 -11.188 108 HA2 GLY 14 HA2 GLY 14 10.066 -21.935 -11.056 109 HA3 GLY 14 HA1 GLY 14 9.827 -23.316 -9.988 110 H PHE 15 HN PHE 15 10.998 -19.930 -10.080 111 HA PHE 15 HA PHE 15 10.213 -19.583 -7.303 112 HB2 PHE 15 HB2 PHE 15 13.092 -19.958 -8.013 113 HB3 PHE 15 HB1 PHE 15 12.674 -18.804 -6.753 114 HD1 PHE 15 HD1 PHE 15 10.907 -19.791 -4.993 115 HD2 PHE 15 HD2 PHE 15 13.620 -22.083 -7.337 116 HE1 PHE 15 HE1 PHE 15 10.783 -21.614 -3.345 117 HE2 PHE 15 HE2 PHE 15 13.504 -23.910 -5.694 118 HZ PHE 15 HZ PHE 15 12.083 -23.678 -3.695 119 H GLY 16 HN GLY 16 9.641 -17.523 -6.960 120 HA2 GLY 16 HA2 GLY 16 9.980 -15.834 -9.316 121 HA3 GLY 16 HA1 GLY 16 8.755 -15.645 -8.073 122 H PHE 17 HN PHE 17 10.730 -13.813 -9.341 123 HA PHE 17 HA PHE 17 11.521 -12.594 -6.788 124 HB2 PHE 17 HB2 PHE 17 13.034 -12.625 -9.398 125 HB3 PHE 17 HB1 PHE 17 13.331 -11.408 -8.161 126 HD1 PHE 17 HD2 PHE 17 14.208 -12.087 -5.958 127 HD2 PHE 17 HD1 PHE 17 13.872 -14.830 -9.191 128 HE1 PHE 17 HE2 PHE 17 15.767 -13.609 -4.818 129 HE2 PHE 17 HE1 PHE 17 15.429 -16.363 -8.057 130 HZ PHE 17 HZ PHE 17 16.380 -15.753 -5.868 131 H ILE 18 HN ILE 18 10.801 -10.606 -6.461 132 HA ILE 18 HA ILE 18 9.377 -9.246 -8.651 133 HB ILE 18 HB ILE 18 9.130 -8.735 -5.677 134 HG12 ILE 18 HG12 ILE 18 7.216 -10.212 -7.486 135 HG13 ILE 18 HG11 ILE 18 8.312 -10.992 -6.349 136 HG21 ILE 18 HG21 ILE 18 7.143 -7.458 -6.267 137 HG22 ILE 18 HG22 ILE 18 7.421 -7.796 -7.977 138 HG23 ILE 18 HG23 ILE 18 8.570 -6.807 -7.074 139 HD11 ILE 18 HD11 ILE 18 6.130 -9.056 -5.622 140 HD12 ILE 18 HD12 ILE 18 7.194 -9.904 -4.499 141 HD13 ILE 18 HD13 ILE 18 6.041 -10.811 -5.477 142 H GLU 19 HN GLU 19 9.767 -7.070 -9.030 143 HA GLU 19 HA GLU 19 12.336 -6.086 -7.998 144 HB2 GLU 19 HB2 GLU 19 12.052 -6.500 -10.468 145 HB3 GLU 19 HB1 GLU 19 10.852 -5.216 -10.482 146 HG2 GLU 19 HG2 GLU 19 12.440 -3.571 -10.021 147 HG3 GLU 19 HG1 GLU 19 13.635 -4.753 -9.484 148 H ARG 20 HN ARG 20 12.252 -4.463 -6.579 149 HA ARG 20 HA ARG 20 9.960 -2.635 -6.669 150 HB2 ARG 20 HB2 ARG 20 10.867 -4.329 -4.393 151 HB3 ARG 20 HB1 ARG 20 10.251 -2.721 -4.034 152 HG2 ARG 20 HG2 ARG 20 8.711 -4.663 -5.724 153 HG3 ARG 20 HG1 ARG 20 8.609 -4.664 -3.963 154 HD2 ARG 20 HD2 ARG 20 6.806 -3.353 -5.032 155 HD3 ARG 20 HD1 ARG 20 7.815 -2.385 -3.959 156 HE ARG 20 HE ARG 20 8.273 -2.377 -6.870 157 HH11 ARG 20 HH11 ARG 20 7.424 -0.693 -3.913 158 HH12 ARG 20 HH12 ARG 20 7.684 0.885 -4.602 159 HH21 ARG 20 HH21 ARG 20 8.606 -0.320 -7.771 160 HH22 ARG 20 HH22 ARG 20 8.409 1.104 -6.784 161 H GLU 21 HN GLU 21 10.428 -0.949 -4.734 162 HA GLU 21 HA GLU 21 12.549 0.649 -5.742 163 HB2 GLU 21 HB2 GLU 21 10.232 1.025 -4.180 164 HB3 GLU 21 HB1 GLU 21 11.578 1.548 -3.179 165 HG2 GLU 21 HG2 GLU 21 10.761 3.436 -4.352 166 HG3 GLU 21 HG1 GLU 21 12.319 3.003 -5.055 167 H ASN 22 HN ASN 22 12.343 -1.699 -3.258 168 HA ASN 22 HA ASN 22 14.720 -0.637 -1.909 169 HB2 ASN 22 HB2 ASN 22 12.757 -2.756 -0.995 170 HB3 ASN 22 HB1 ASN 22 14.150 -2.206 -0.073 171 HD21 ASN 22 HD21 ASN 22 12.983 -1.454 1.651 172 HD22 ASN 22 HD22 ASN 22 11.937 -0.068 1.561 173 H GLY 23 HN GLY 23 14.322 -2.372 -4.466 174 HA2 GLY 23 HA2 GLY 23 16.534 -3.513 -5.040 175 HA3 GLY 23 HA1 GLY 23 16.127 -4.571 -3.695 176 H ASP 24 HN ASP 24 16.569 -5.642 -6.169 177 HA ASP 24 HA ASP 24 13.850 -6.407 -6.990 178 HB2 ASP 24 HB2 ASP 24 14.706 -6.811 -9.249 179 HB3 ASP 24 HB1 ASP 24 14.943 -5.139 -8.764 180 H ASP 25 HN ASP 25 14.640 -7.767 -4.975 181 HA ASP 25 HA ASP 25 15.175 -10.399 -6.090 182 HB2 ASP 25 HB2 ASP 25 16.881 -10.927 -4.393 183 HB3 ASP 25 HB1 ASP 25 17.405 -9.617 -5.444 184 H VAL 26 HN VAL 26 12.773 -9.385 -5.246 185 HA VAL 26 HA VAL 26 12.318 -10.248 -2.514 186 HB VAL 26 HB VAL 26 10.285 -9.456 -4.601 187 HG11 VAL 26 HG11 VAL 26 8.823 -9.027 -2.674 188 HG12 VAL 26 HG12 VAL 26 10.075 -9.652 -1.601 189 HG13 VAL 26 HG13 VAL 26 9.307 -10.721 -2.776 190 HG21 VAL 26 HG21 VAL 26 11.626 -7.773 -2.489 191 HG22 VAL 26 HG22 VAL 26 10.280 -7.255 -3.503 192 HG23 VAL 26 HG23 VAL 26 11.839 -7.634 -4.234 193 H PHE 27 HN PHE 27 12.061 -12.296 -1.999 194 HA PHE 27 HA PHE 27 11.910 -14.332 -3.997 195 HB2 PHE 27 HB2 PHE 27 11.832 -14.509 -0.982 196 HB3 PHE 27 HB1 PHE 27 11.980 -15.888 -2.063 197 HD1 PHE 27 HD1 PHE 27 13.681 -12.967 -0.661 198 HD2 PHE 27 HD2 PHE 27 14.047 -16.364 -3.198 199 HE1 PHE 27 HE1 PHE 27 16.128 -12.717 -0.636 200 HE2 PHE 27 HE2 PHE 27 16.495 -16.116 -3.180 201 HZ PHE 27 HZ PHE 27 17.537 -14.292 -1.898 202 H VAL 28 HN VAL 28 10.084 -14.846 -4.972 203 HA VAL 28 HA VAL 28 7.556 -14.804 -3.513 204 HB VAL 28 HB VAL 28 8.052 -15.446 -6.426 205 HG11 VAL 28 HG11 VAL 28 5.497 -14.798 -4.960 206 HG12 VAL 28 HG12 VAL 28 5.974 -16.393 -5.546 207 HG13 VAL 28 HG13 VAL 28 5.655 -15.090 -6.692 208 HG21 VAL 28 HG21 VAL 28 7.170 -12.872 -5.135 209 HG22 VAL 28 HG22 VAL 28 7.209 -13.185 -6.869 210 HG23 VAL 28 HG23 VAL 28 8.709 -13.165 -5.944 211 H HIS 29 HN HIS 29 7.149 -16.549 -2.356 212 HA HIS 29 HA HIS 29 7.979 -19.169 -3.366 213 HB2 HIS 29 HB2 HIS 29 7.246 -19.909 -0.992 214 HB3 HIS 29 HB1 HIS 29 8.757 -19.034 -1.179 215 HD1 HIS 29 HD1 HIS 29 9.059 -17.045 0.256 216 HD2 HIS 29 HD2 HIS 29 5.072 -18.204 0.026 217 HE1 HIS 29 HE1 HIS 29 7.831 -15.571 1.879 218 HE2 HIS 29 HE2 HIS 29 5.483 -16.476 1.914 219 H PHE 30 HN PHE 30 6.545 -20.842 -3.645 220 HA PHE 30 HA PHE 30 4.027 -20.004 -4.663 221 HB2 PHE 30 HB2 PHE 30 3.736 -22.438 -5.198 222 HB3 PHE 30 HB1 PHE 30 5.199 -21.708 -5.848 223 HD1 PHE 30 HD1 PHE 30 3.838 -24.098 -3.435 224 HD2 PHE 30 HD2 PHE 30 7.378 -22.334 -5.010 225 HE1 PHE 30 HE1 PHE 30 5.186 -25.866 -2.382 226 HE2 PHE 30 HE2 PHE 30 8.729 -24.100 -3.958 227 HZ PHE 30 HZ PHE 30 7.634 -25.867 -2.644 228 H SER 31 HN SER 31 4.851 -20.629 -1.541 229 HA SER 31 HA SER 31 2.420 -21.986 -0.789 230 HB2 SER 31 HB2 SER 31 3.310 -21.465 1.563 231 HB3 SER 31 HB1 SER 31 4.267 -22.550 0.555 232 HG SER 31 HG SER 31 5.420 -20.796 1.687 233 H ALA 32 HN ALA 32 3.080 -18.903 -1.725 234 HA ALA 32 HA ALA 32 0.939 -17.777 -0.031 235 HB1 ALA 32 HB1 ALA 32 2.086 -15.614 -0.157 236 HB2 ALA 32 HB2 ALA 32 3.407 -16.376 -1.039 237 HB3 ALA 32 HB3 ALA 32 3.075 -16.843 0.629 238 H ILE 33 HN ILE 33 1.365 -18.887 -2.962 239 HA ILE 33 HA ILE 33 0.499 -16.564 -4.495 240 HB ILE 33 HB ILE 33 2.261 -17.955 -5.469 241 HG12 ILE 33 HG12 ILE 33 1.179 -18.405 -7.694 242 HG13 ILE 33 HG11 ILE 33 -0.375 -18.046 -6.952 243 HG21 ILE 33 HG21 ILE 33 1.795 -20.220 -6.264 244 HG22 ILE 33 HG22 ILE 33 0.207 -20.156 -5.496 245 HG23 ILE 33 HG23 ILE 33 1.667 -20.097 -4.507 246 HD11 ILE 33 HD11 ILE 33 1.941 -16.144 -7.202 247 HD12 ILE 33 HD12 ILE 33 0.382 -15.783 -6.461 248 HD13 ILE 33 HD13 ILE 33 0.480 -16.141 -8.187 249 H GLN 34 HN GLN 34 -1.495 -16.274 -5.276 250 HA GLN 34 HA GLN 34 -3.315 -18.550 -5.404 251 HB2 GLN 34 HB2 GLN 34 -5.180 -17.248 -4.495 252 HB3 GLN 34 HB1 GLN 34 -3.889 -17.391 -3.316 253 HG2 GLN 34 HG2 GLN 34 -4.471 -15.201 -3.064 254 HG3 GLN 34 HG1 GLN 34 -3.175 -15.059 -4.248 255 HE21 GLN 34 HE21 GLN 34 -3.987 -13.087 -4.973 256 HE22 GLN 34 HE22 GLN 34 -5.402 -12.986 -5.967 257 H GLY 35 HN GLY 35 -4.897 -18.349 -7.052 258 HA2 GLY 35 HA2 GLY 35 -4.674 -16.055 -8.832 259 HA3 GLY 35 HA1 GLY 35 -4.116 -17.596 -9.469 260 H ASP 36 HN ASP 36 -6.001 -16.487 -10.870 261 HA ASP 36 HA ASP 36 -8.650 -17.202 -9.955 262 HB2 ASP 36 HB2 ASP 36 -7.864 -16.380 -12.755 263 HB3 ASP 36 HB1 ASP 36 -9.444 -16.238 -11.992 264 H GLY 37 HN GLY 37 -6.390 -18.242 -12.450 265 HA2 GLY 37 HA2 GLY 37 -7.257 -20.986 -12.148 266 HA3 GLY 37 HA1 GLY 37 -7.614 -20.274 -13.720 267 H PHE 38 HN PHE 38 -4.858 -19.445 -11.767 268 HA PHE 38 HA PHE 38 -3.059 -20.826 -13.622 269 HB2 PHE 38 HB2 PHE 38 -2.865 -17.894 -12.878 270 HB3 PHE 38 HB1 PHE 38 -1.657 -18.789 -13.790 271 HD1 PHE 38 HD1 PHE 38 -2.096 -19.474 -16.092 272 HD2 PHE 38 HD2 PHE 38 -4.897 -17.146 -13.893 273 HE1 PHE 38 HE1 PHE 38 -3.246 -18.885 -18.187 274 HE2 PHE 38 HE2 PHE 38 -6.054 -16.554 -15.980 275 HZ PHE 38 HZ PHE 38 -5.228 -17.423 -18.132 276 H LYS 39 HN LYS 39 -0.786 -20.759 -12.802 277 HA LYS 39 HA LYS 39 -0.601 -20.299 -9.903 278 HB2 LYS 39 HB2 LYS 39 0.618 -22.307 -9.510 279 HB3 LYS 39 HB1 LYS 39 -0.814 -22.774 -10.413 280 HG2 LYS 39 HG2 LYS 39 1.840 -22.307 -11.742 281 HG3 LYS 39 HG1 LYS 39 1.384 -23.866 -11.060 282 HD2 LYS 39 HD2 LYS 39 -0.191 -22.389 -13.164 283 HD3 LYS 39 HD1 LYS 39 0.961 -23.681 -13.498 284 HE2 LYS 39 HE2 LYS 39 -1.542 -23.917 -11.829 285 HE3 LYS 39 HE1 LYS 39 -1.333 -24.517 -13.473 286 HZ1 LYS 39 HZ1 LYS 39 0.516 -25.922 -12.583 287 HZ2 LYS 39 HZ2 LYS 39 -1.029 -26.333 -12.012 288 HZ3 LYS 39 HZ3 LYS 39 0.038 -25.470 -11.016 289 H SER 40 HN SER 40 0.221 -19.179 -12.672 290 HA SER 40 HA SER 40 3.062 -18.753 -12.039 291 HB2 SER 40 HB2 SER 40 1.759 -18.655 -14.771 292 HB3 SER 40 HB1 SER 40 3.483 -18.521 -14.416 293 HG SER 40 HG SER 40 2.737 -20.740 -13.288 294 H LEU 41 HN LEU 41 3.906 -16.657 -12.716 295 HA LEU 41 HA LEU 41 1.856 -14.547 -12.639 296 HB2 LEU 41 HB2 LEU 41 4.643 -14.557 -11.471 297 HB3 LEU 41 HB1 LEU 41 3.627 -13.131 -11.576 298 HG LEU 41 HG LEU 41 2.938 -15.622 -10.011 299 HD11 LEU 41 HD11 LEU 41 3.402 -14.265 -8.033 300 HD12 LEU 41 HD12 LEU 41 3.954 -12.946 -9.066 301 HD13 LEU 41 HD13 LEU 41 4.841 -14.470 -9.032 302 HD21 LEU 41 HD21 LEU 41 1.169 -14.217 -9.047 303 HD22 LEU 41 HD22 LEU 41 0.968 -14.428 -10.787 304 HD23 LEU 41 HD23 LEU 41 1.614 -12.915 -10.149 305 H ASP 42 HN ASP 42 2.126 -12.805 -14.027 306 HA ASP 42 HA ASP 42 3.719 -13.384 -16.363 307 HB2 ASP 42 HB2 ASP 42 1.865 -11.075 -15.731 308 HB3 ASP 42 HB1 ASP 42 2.675 -11.305 -17.277 309 H GLU 43 HN GLU 43 5.656 -12.602 -16.789 310 HA GLU 43 HA GLU 43 6.990 -10.902 -14.920 311 HB2 GLU 43 HB2 GLU 43 8.447 -10.984 -17.363 312 HB3 GLU 43 HB1 GLU 43 8.806 -11.806 -15.855 313 HG2 GLU 43 HG2 GLU 43 8.767 -13.467 -17.513 314 HG3 GLU 43 HG1 GLU 43 7.254 -13.640 -16.626 315 H GLY 44 HN GLY 44 6.865 -8.782 -14.825 316 HA2 GLY 44 HA2 GLY 44 7.082 -6.626 -15.861 317 HA3 GLY 44 HA1 GLY 44 6.331 -7.289 -17.304 318 H GLN 45 HN GLN 45 4.474 -8.581 -14.994 319 HA GLN 45 HA GLN 45 2.461 -6.529 -15.329 320 HB2 GLN 45 HB2 GLN 45 0.889 -8.054 -14.502 321 HB3 GLN 45 HB1 GLN 45 2.035 -9.073 -15.360 322 HG2 GLN 45 HG2 GLN 45 3.073 -9.721 -13.276 323 HG3 GLN 45 HG1 GLN 45 2.031 -8.612 -12.385 324 HE21 GLN 45 HE21 GLN 45 2.356 -11.489 -12.114 325 HE22 GLN 45 HE22 GLN 45 0.780 -12.166 -12.336 326 H ALA 46 HN ALA 46 1.481 -5.346 -13.698 327 HA ALA 46 HA ALA 46 3.094 -4.962 -11.296 328 HB1 ALA 46 HB1 ALA 46 2.401 -2.991 -12.614 329 HB2 ALA 46 HB2 ALA 46 1.796 -2.944 -10.959 330 HB3 ALA 46 HB3 ALA 46 0.714 -3.385 -12.280 331 H VAL 47 HN VAL 47 2.500 -5.727 -9.362 332 HA VAL 47 HA VAL 47 -0.287 -6.424 -8.856 333 HB VAL 47 HB VAL 47 0.551 -8.668 -7.876 334 HG11 VAL 47 HG11 VAL 47 0.203 -9.812 -10.018 335 HG12 VAL 47 HG12 VAL 47 0.382 -8.274 -10.862 336 HG13 VAL 47 HG13 VAL 47 -0.975 -8.525 -9.765 337 HG21 VAL 47 HG21 VAL 47 2.929 -8.244 -8.122 338 HG22 VAL 47 HG22 VAL 47 2.739 -8.087 -9.867 339 HG23 VAL 47 HG23 VAL 47 2.456 -9.643 -9.086 340 H THR 48 HN THR 48 -0.624 -7.088 -6.587 341 HA THR 48 HA THR 48 1.147 -5.535 -4.837 342 HB THR 48 HB THR 48 -1.636 -6.512 -4.186 343 HG1 THR 48 HG1 THR 48 -0.785 -4.302 -5.697 344 HG21 THR 48 HG21 THR 48 -1.593 -4.702 -2.541 345 HG22 THR 48 HG22 THR 48 0.037 -4.263 -3.059 346 HG23 THR 48 HG23 THR 48 -0.252 -5.822 -2.282 347 H PHE 49 HN PHE 49 2.197 -6.496 -3.198 348 HA PHE 49 HA PHE 49 1.488 -9.252 -2.447 349 HB2 PHE 49 HB2 PHE 49 4.173 -8.199 -3.293 350 HB3 PHE 49 HB1 PHE 49 4.072 -9.519 -2.140 351 HD1 PHE 49 HD1 PHE 49 2.993 -8.523 -5.558 352 HD2 PHE 49 HD2 PHE 49 3.901 -11.695 -2.874 353 HE1 PHE 49 HE1 PHE 49 2.863 -10.131 -7.414 354 HE2 PHE 49 HE2 PHE 49 3.768 -13.304 -4.726 355 HZ PHE 49 HZ PHE 49 3.251 -12.523 -6.999 356 H ASP 50 HN ASP 50 1.661 -9.658 -0.259 357 HA ASP 50 HA ASP 50 2.366 -7.365 1.402 358 HB2 ASP 50 HB2 ASP 50 0.396 -8.826 1.957 359 HB3 ASP 50 HB1 ASP 50 1.534 -10.121 2.328 360 H VAL 51 HN VAL 51 4.460 -7.019 1.649 361 HA VAL 51 HA VAL 51 6.314 -9.209 1.279 362 HB VAL 51 HB VAL 51 6.694 -7.119 0.063 363 HG11 VAL 51 HG11 VAL 51 7.140 -5.868 2.770 364 HG12 VAL 51 HG12 VAL 51 5.785 -5.547 1.688 365 HG13 VAL 51 HG13 VAL 51 7.421 -5.091 1.212 366 HG21 VAL 51 HG21 VAL 51 9.075 -6.807 0.623 367 HG22 VAL 51 HG22 VAL 51 8.618 -8.508 0.537 368 HG23 VAL 51 HG23 VAL 51 8.829 -7.730 2.106 369 H GLU 52 HN GLU 52 7.643 -10.050 2.744 370 HA GLU 52 HA GLU 52 7.674 -8.903 5.461 371 HB2 GLU 52 HB2 GLU 52 8.084 -11.805 4.717 372 HB3 GLU 52 HB1 GLU 52 7.955 -11.137 6.337 373 HG2 GLU 52 HG2 GLU 52 5.630 -10.621 5.981 374 HG3 GLU 52 HG1 GLU 52 5.743 -11.143 4.301 375 H GLU 53 HN GLU 53 9.720 -8.897 6.510 376 HA GLU 53 HA GLU 53 12.001 -9.199 4.719 377 HB2 GLU 53 HB2 GLU 53 11.877 -8.163 7.560 378 HB3 GLU 53 HB1 GLU 53 13.306 -8.162 6.535 379 HG2 GLU 53 HG2 GLU 53 12.068 -6.696 4.942 380 HG3 GLU 53 HG1 GLU 53 10.772 -6.595 6.133 381 H GLY 54 HN GLY 54 12.835 -11.167 4.565 382 HA2 GLY 54 HA2 GLY 54 12.300 -13.098 6.675 383 HA3 GLY 54 HA1 GLY 54 12.918 -13.451 5.069 384 H GLN 55 HN GLN 55 14.258 -14.860 6.550 385 HA GLN 55 HA GLN 55 16.354 -13.586 8.041 386 HB2 GLN 55 HB2 GLN 55 16.016 -16.456 7.160 387 HB3 GLN 55 HB1 GLN 55 17.225 -15.885 8.301 388 HG2 GLN 55 HG2 GLN 55 14.257 -15.633 8.721 389 HG3 GLN 55 HG1 GLN 55 15.240 -16.958 9.340 390 HE21 GLN 55 HE21 GLN 55 14.413 -13.609 9.658 391 HE22 GLN 55 HE22 GLN 55 15.222 -13.342 11.166 392 H ARG 56 HN ARG 56 15.882 -14.558 4.781 393 HA ARG 56 HA ARG 56 18.763 -14.337 4.225 394 HB2 ARG 56 HB2 ARG 56 16.558 -15.602 2.589 395 HB3 ARG 56 HB1 ARG 56 18.236 -15.473 2.078 396 HG2 ARG 56 HG2 ARG 56 17.256 -16.970 4.498 397 HG3 ARG 56 HG1 ARG 56 17.709 -17.690 2.952 398 HD2 ARG 56 HD2 ARG 56 19.982 -16.878 3.211 399 HD3 ARG 56 HD1 ARG 56 19.543 -16.072 4.717 400 HE ARG 56 HE ARG 56 19.061 -18.359 5.591 401 HH11 ARG 56 HH11 ARG 56 21.313 -17.863 2.951 402 HH12 ARG 56 HH12 ARG 56 22.211 -19.321 3.275 403 HH21 ARG 56 HH21 ARG 56 20.245 -20.263 6.030 404 HH22 ARG 56 HH22 ARG 56 21.593 -20.690 5.021 405 H GLY 57 HN GLY 57 15.603 -13.089 3.406 406 HA2 GLY 57 HA2 GLY 57 16.481 -10.585 2.595 407 HA3 GLY 57 HA1 GLY 57 16.332 -11.571 1.145 408 HA PRO 58 HA PRO 58 12.208 -9.618 2.207 409 HB2 PRO 58 HB2 PRO 58 12.165 -9.028 -0.673 410 HB3 PRO 58 HB1 PRO 58 11.910 -7.945 0.698 411 HG2 PRO 58 HG2 PRO 58 14.130 -7.830 -0.816 412 HG3 PRO 58 HG1 PRO 58 14.158 -7.486 0.923 413 HD2 PRO 58 HD2 PRO 58 14.987 -9.966 -0.536 414 HD3 PRO 58 HD1 PRO 58 15.761 -9.158 0.844 415 H GLN 59 HN GLN 59 10.698 -11.136 2.376 416 HA GLN 59 HA GLN 59 10.361 -13.036 0.160 417 HB2 GLN 59 HB2 GLN 59 9.074 -14.382 1.913 418 HB3 GLN 59 HB1 GLN 59 10.819 -14.291 2.089 419 HG2 GLN 59 HG2 GLN 59 10.569 -12.571 3.796 420 HG3 GLN 59 HG1 GLN 59 8.818 -12.631 3.606 421 HE21 GLN 59 HE21 GLN 59 7.670 -14.298 4.513 422 HE22 GLN 59 HE22 GLN 59 8.381 -15.454 5.594 423 H ALA 60 HN ALA 60 8.450 -13.232 -0.869 424 HA ALA 60 HA ALA 60 6.479 -11.156 -0.263 425 HB1 ALA 60 HB1 ALA 60 6.834 -12.827 -2.744 426 HB2 ALA 60 HB2 ALA 60 7.406 -11.174 -2.516 427 HB3 ALA 60 HB3 ALA 60 5.674 -11.515 -2.539 428 H ALA 61 HN ALA 61 4.649 -11.659 0.716 429 HA ALA 61 HA ALA 61 3.518 -14.347 0.307 430 HB1 ALA 61 HB1 ALA 61 4.412 -14.197 2.561 431 HB2 ALA 61 HB2 ALA 61 2.649 -14.248 2.608 432 HB3 ALA 61 HB3 ALA 61 3.496 -12.718 2.847 433 H ASN 62 HN ASN 62 1.134 -14.368 0.694 434 HA ASN 62 HA ASN 62 -0.933 -13.708 0.026 435 HB2 ASN 62 HB2 ASN 62 -0.118 -11.031 1.169 436 HB3 ASN 62 HB1 ASN 62 -1.760 -11.601 0.904 437 HD21 ASN 62 HD21 ASN 62 1.066 -11.817 2.844 438 HD22 ASN 62 HD22 ASN 62 0.359 -12.688 4.168 439 H VAL 63 HN VAL 63 -0.570 -13.892 -2.201 440 HA VAL 63 HA VAL 63 0.254 -11.589 -3.718 441 HB VAL 63 HB VAL 63 -1.109 -14.110 -4.697 442 HG11 VAL 63 HG11 VAL 63 0.518 -12.060 -6.196 443 HG12 VAL 63 HG12 VAL 63 -1.232 -12.264 -6.287 444 HG13 VAL 63 HG13 VAL 63 -0.164 -13.541 -6.869 445 HG21 VAL 63 HG21 VAL 63 1.829 -13.472 -4.494 446 HG22 VAL 63 HG22 VAL 63 1.140 -14.893 -5.277 447 HG23 VAL 63 HG23 VAL 63 0.948 -14.663 -3.540 448 H GLN 64 HN GLN 64 -1.008 -9.913 -4.234 449 HA GLN 64 HA GLN 64 -3.902 -10.388 -4.561 450 HB2 GLN 64 HB2 GLN 64 -3.419 -9.021 -2.553 451 HB3 GLN 64 HB1 GLN 64 -2.569 -7.861 -3.559 452 HG2 GLN 64 HG2 GLN 64 -4.685 -7.466 -4.797 453 HG3 GLN 64 HG1 GLN 64 -5.501 -8.527 -3.651 454 HE21 GLN 64 HE21 GLN 64 -6.858 -6.895 -2.928 455 HE22 GLN 64 HE22 GLN 64 -6.296 -5.593 -1.934 456 H LYS 65 HN LYS 65 -4.672 -9.929 -6.529 457 HA LYS 65 HA LYS 65 -2.837 -9.156 -8.576 458 HB2 LYS 65 HB2 LYS 65 -4.657 -10.827 -8.882 459 HB3 LYS 65 HB1 LYS 65 -5.831 -9.522 -8.764 460 HG2 LYS 65 HG2 LYS 65 -5.383 -10.152 -11.086 461 HG3 LYS 65 HG1 LYS 65 -4.909 -8.483 -10.756 462 HD2 LYS 65 HD2 LYS 65 -2.601 -9.131 -10.553 463 HD3 LYS 65 HD1 LYS 65 -3.028 -10.831 -10.718 464 HE2 LYS 65 HE2 LYS 65 -2.119 -9.918 -12.802 465 HE3 LYS 65 HE1 LYS 65 -3.792 -10.435 -12.995 466 HZ1 LYS 65 HZ1 LYS 65 -3.247 -8.269 -14.038 467 HZ2 LYS 65 HZ2 LYS 65 -2.995 -7.615 -12.491 468 HZ3 LYS 65 HZ3 LYS 65 -4.528 -8.192 -12.930 469 H ALA 66 HN ALA 66 -2.381 -7.181 -9.267 470 HA ALA 66 HA ALA 66 -4.218 -4.987 -8.691 471 HB1 ALA 66 HB1 ALA 66 -1.847 -4.645 -8.146 472 HB2 ALA 66 HB2 ALA 66 -2.402 -3.514 -9.380 473 HB3 ALA 66 HB3 ALA 66 -1.425 -4.908 -9.838 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 0.018 -2.018 2.246 2 H2 MET 1 HT2 MET 1 1.066 -1.035 1.340 3 H3 MET 1 HT3 MET 1 1.687 -2.322 2.251 4 HA MET 1 HA MET 1 0.653 -3.926 0.876 5 HB2 MET 1 HB2 MET 1 -0.619 -3.227 -1.138 6 HB3 MET 1 HB1 MET 1 -1.406 -2.758 0.361 7 HG2 MET 1 HG2 MET 1 -0.572 -0.477 0.083 8 HG3 MET 1 HG1 MET 1 0.214 -0.952 -1.421 9 HE1 MET 1 HE1 MET 1 -2.721 1.275 -2.711 10 HE2 MET 1 HE2 MET 1 -0.977 1.014 -2.699 11 HE3 MET 1 HE3 MET 1 -1.805 1.525 -1.226 12 H GLU 2 HN GLU 2 2.344 -4.784 -0.161 13 HA GLU 2 HA GLU 2 4.269 -2.949 -1.369 14 HB2 GLU 2 HB2 GLU 2 4.453 -5.925 -0.875 15 HB3 GLU 2 HB1 GLU 2 5.756 -4.906 -1.472 16 HG2 GLU 2 HG2 GLU 2 4.446 -4.783 1.230 17 HG3 GLU 2 HG1 GLU 2 6.088 -5.307 0.859 18 H GLN 3 HN GLN 3 3.904 -2.416 -3.407 19 HA GLN 3 HA GLN 3 2.926 -4.506 -5.238 20 HB2 GLN 3 HB2 GLN 3 1.305 -2.702 -4.922 21 HB3 GLN 3 HB1 GLN 3 2.520 -1.512 -5.365 22 HG2 GLN 3 HG2 GLN 3 2.600 -2.372 -7.617 23 HG3 GLN 3 HG1 GLN 3 1.485 -3.671 -7.191 24 HE21 GLN 3 HE21 GLN 3 -0.679 -3.202 -6.853 25 HE22 GLN 3 HE22 GLN 3 -1.400 -1.717 -7.401 26 H GLY 4 HN GLY 4 4.216 -5.063 -6.869 27 HA2 GLY 4 HA2 GLY 4 6.091 -3.174 -8.007 28 HA3 GLY 4 HA1 GLY 4 6.840 -4.492 -7.116 29 H THR 5 HN THR 5 7.519 -4.340 -9.665 30 HA THR 5 HA THR 5 5.725 -5.995 -11.249 31 HB THR 5 HB THR 5 8.356 -4.687 -11.972 32 HG1 THR 5 HG1 THR 5 6.914 -3.075 -11.848 33 HG21 THR 5 HG21 THR 5 6.337 -6.099 -13.722 34 HG22 THR 5 HG22 THR 5 7.969 -6.660 -13.353 35 HG23 THR 5 HG23 THR 5 7.734 -5.189 -14.299 36 H VAL 6 HN VAL 6 6.087 -8.064 -11.811 37 HA VAL 6 HA VAL 6 7.904 -9.639 -10.293 38 HB VAL 6 HB VAL 6 6.341 -10.391 -12.769 39 HG11 VAL 6 HG11 VAL 6 6.597 -12.697 -11.975 40 HG12 VAL 6 HG12 VAL 6 7.629 -12.124 -10.663 41 HG13 VAL 6 HG13 VAL 6 8.153 -11.949 -12.340 42 HG21 VAL 6 HG21 VAL 6 5.634 -10.696 -9.852 43 HG22 VAL 6 HG22 VAL 6 4.696 -11.321 -11.208 44 HG23 VAL 6 HG23 VAL 6 4.886 -9.582 -10.994 45 H LYS 7 HN LYS 7 9.969 -10.040 -10.675 46 HA LYS 7 HA LYS 7 11.268 -8.974 -12.997 47 HB2 LYS 7 HB2 LYS 7 12.277 -9.057 -10.687 48 HB3 LYS 7 HB1 LYS 7 12.431 -10.796 -10.882 49 HG2 LYS 7 HG2 LYS 7 14.539 -9.955 -11.419 50 HG3 LYS 7 HG1 LYS 7 13.782 -10.267 -12.982 51 HD2 LYS 7 HD2 LYS 7 14.850 -8.132 -13.105 52 HD3 LYS 7 HD1 LYS 7 13.107 -7.855 -13.041 53 HE2 LYS 7 HE2 LYS 7 13.278 -7.419 -10.633 54 HE3 LYS 7 HE1 LYS 7 15.018 -7.678 -10.716 55 HZ1 LYS 7 HZ1 LYS 7 13.426 -5.410 -11.686 56 HZ2 LYS 7 HZ2 LYS 7 14.849 -5.805 -12.516 57 HZ3 LYS 7 HZ3 LYS 7 14.915 -5.424 -10.865 58 H TRP 8 HN TRP 8 10.959 -12.264 -11.647 59 HA TRP 8 HA TRP 8 10.447 -13.518 -14.127 60 HB2 TRP 8 HB2 TRP 8 12.988 -12.776 -14.204 61 HB3 TRP 8 HB1 TRP 8 13.216 -14.199 -13.195 62 HD1 TRP 8 HD1 TRP 8 11.946 -13.213 -16.694 63 HE1 TRP 8 HE1 TRP 8 12.214 -15.236 -18.263 64 HE3 TRP 8 HE3 TRP 8 13.497 -16.682 -13.274 65 HZ2 TRP 8 HZ2 TRP 8 12.986 -17.942 -18.071 66 HZ3 TRP 8 HZ3 TRP 8 13.984 -18.965 -14.052 67 HH2 TRP 8 HH2 TRP 8 13.734 -19.580 -16.402 68 H PHE 9 HN PHE 9 9.891 -15.691 -13.792 69 HA PHE 9 HA PHE 9 9.860 -16.458 -10.956 70 HB2 PHE 9 HB2 PHE 9 7.677 -16.230 -12.164 71 HB3 PHE 9 HB1 PHE 9 8.167 -17.557 -13.209 72 HD1 PHE 9 HD2 PHE 9 7.331 -16.645 -9.733 73 HD2 PHE 9 HD1 PHE 9 7.940 -19.804 -12.518 74 HE1 PHE 9 HE2 PHE 9 6.395 -18.245 -8.115 75 HE2 PHE 9 HE1 PHE 9 7.002 -21.409 -10.908 76 HZ PHE 9 HZ PHE 9 6.229 -20.631 -8.703 77 H ASN 10 HN ASN 10 11.754 -17.548 -10.628 78 HA ASN 10 HA ASN 10 12.761 -19.390 -12.585 79 HB2 ASN 10 HB2 ASN 10 14.481 -19.934 -10.801 80 HB3 ASN 10 HB1 ASN 10 14.452 -18.274 -11.374 81 HD21 ASN 10 HD21 ASN 10 15.353 -19.579 -8.828 82 HD22 ASN 10 HD22 ASN 10 14.585 -18.665 -7.583 83 H ALA 11 HN ALA 11 10.935 -20.734 -12.764 84 HA ALA 11 HA ALA 11 9.917 -22.327 -10.675 85 HB1 ALA 11 HB1 ALA 11 8.707 -21.935 -12.769 86 HB2 ALA 11 HB2 ALA 11 8.893 -23.659 -12.440 87 HB3 ALA 11 HB3 ALA 11 9.920 -22.876 -13.640 88 H GLU 12 HN GLU 12 12.761 -22.575 -12.623 89 HA GLU 12 HA GLU 12 13.463 -25.241 -12.347 90 HB2 GLU 12 HB2 GLU 12 14.830 -23.734 -13.639 91 HB3 GLU 12 HB1 GLU 12 15.177 -22.754 -12.221 92 HG2 GLU 12 HG2 GLU 12 16.399 -24.654 -11.241 93 HG3 GLU 12 HG1 GLU 12 16.106 -25.577 -12.716 94 H LYS 13 HN LYS 13 13.840 -22.579 -10.040 95 HA LYS 13 HA LYS 13 14.878 -24.399 -8.008 96 HB2 LYS 13 HB2 LYS 13 14.314 -21.429 -7.847 97 HB3 LYS 13 HB1 LYS 13 15.156 -22.388 -6.639 98 HG2 LYS 13 HG2 LYS 13 16.124 -21.974 -9.457 99 HG3 LYS 13 HG1 LYS 13 16.648 -21.026 -8.066 100 HD2 LYS 13 HD2 LYS 13 17.499 -23.074 -7.008 101 HD3 LYS 13 HD1 LYS 13 16.994 -24.004 -8.422 102 HE2 LYS 13 HE2 LYS 13 18.516 -22.762 -9.828 103 HE3 LYS 13 HE1 LYS 13 18.955 -21.714 -8.481 104 HZ1 LYS 13 HZ1 LYS 13 19.467 -24.636 -8.637 105 HZ2 LYS 13 HZ2 LYS 13 19.896 -23.622 -7.346 106 HZ3 LYS 13 HZ3 LYS 13 20.622 -23.412 -8.867 107 H GLY 14 HN GLY 14 11.947 -22.961 -9.026 108 HA2 GLY 14 HA2 GLY 14 9.800 -23.505 -8.253 109 HA3 GLY 14 HA1 GLY 14 10.519 -24.175 -6.795 110 H PHE 15 HN PHE 15 11.159 -20.999 -8.165 111 HA PHE 15 HA PHE 15 9.646 -19.703 -6.032 112 HB2 PHE 15 HB2 PHE 15 12.631 -19.354 -6.432 113 HB3 PHE 15 HB1 PHE 15 11.638 -18.242 -5.501 114 HD1 PHE 15 HD1 PHE 15 10.494 -19.071 -3.431 115 HD2 PHE 15 HD2 PHE 15 13.448 -21.342 -5.488 116 HE1 PHE 15 HE1 PHE 15 10.842 -20.438 -1.415 117 HE2 PHE 15 HE2 PHE 15 13.796 -22.716 -3.477 118 HZ PHE 15 HZ PHE 15 12.493 -22.264 -1.438 119 H GLY 16 HN GLY 16 10.379 -17.151 -6.355 120 HA2 GLY 16 HA2 GLY 16 10.790 -16.527 -9.164 121 HA3 GLY 16 HA1 GLY 16 9.229 -16.050 -8.505 122 H PHE 17 HN PHE 17 11.118 -14.243 -9.541 123 HA PHE 17 HA PHE 17 11.997 -12.838 -7.104 124 HB2 PHE 17 HB2 PHE 17 12.918 -12.381 -9.953 125 HB3 PHE 17 HB1 PHE 17 13.559 -11.606 -8.511 126 HD1 PHE 17 HD2 PHE 17 14.707 -13.085 -6.781 127 HD2 PHE 17 HD1 PHE 17 13.828 -14.361 -10.744 128 HE1 PHE 17 HE2 PHE 17 16.401 -14.858 -6.585 129 HE2 PHE 17 HE1 PHE 17 15.519 -16.135 -10.554 130 HZ PHE 17 HZ PHE 17 16.810 -16.383 -8.472 131 H ILE 18 HN ILE 18 11.140 -10.919 -6.639 132 HA ILE 18 HA ILE 18 9.456 -9.570 -8.643 133 HB ILE 18 HB ILE 18 8.723 -9.834 -5.717 134 HG12 ILE 18 HG12 ILE 18 7.524 -11.238 -8.118 135 HG13 ILE 18 HG11 ILE 18 8.502 -12.002 -6.871 136 HG21 ILE 18 HG21 ILE 18 7.920 -7.784 -6.757 137 HG22 ILE 18 HG22 ILE 18 6.575 -8.875 -6.422 138 HG23 ILE 18 HG23 ILE 18 7.193 -8.715 -8.067 139 HD11 ILE 18 HD11 ILE 18 6.786 -11.430 -5.209 140 HD12 ILE 18 HD12 ILE 18 6.165 -12.461 -6.499 141 HD13 ILE 18 HD13 ILE 18 5.800 -10.736 -6.494 142 H GLU 19 HN GLU 19 9.308 -7.288 -8.384 143 HA GLU 19 HA GLU 19 11.638 -6.167 -7.008 144 HB2 GLU 19 HB2 GLU 19 11.472 -5.674 -9.379 145 HB3 GLU 19 HB1 GLU 19 9.836 -5.069 -9.175 146 HG2 GLU 19 HG2 GLU 19 11.269 -3.521 -7.428 147 HG3 GLU 19 HG1 GLU 19 12.391 -3.741 -8.773 148 H ARG 20 HN ARG 20 11.470 -4.542 -5.514 149 HA ARG 20 HA ARG 20 8.806 -3.445 -4.944 150 HB2 ARG 20 HB2 ARG 20 10.826 -4.507 -2.983 151 HB3 ARG 20 HB1 ARG 20 9.661 -3.282 -2.510 152 HG2 ARG 20 HG2 ARG 20 7.835 -4.797 -3.121 153 HG3 ARG 20 HG1 ARG 20 9.023 -6.029 -3.561 154 HD2 ARG 20 HD2 ARG 20 8.146 -6.416 -1.316 155 HD3 ARG 20 HD1 ARG 20 9.868 -6.043 -1.272 156 HE ARG 20 HE ARG 20 7.891 -3.918 -0.759 157 HH11 ARG 20 HH11 ARG 20 10.528 -5.941 0.370 158 HH12 ARG 20 HH12 ARG 20 10.758 -5.032 1.834 159 HH21 ARG 20 HH21 ARG 20 8.208 -2.729 1.135 160 HH22 ARG 20 HH22 ARG 20 9.446 -3.206 2.265 161 H GLU 21 HN GLU 21 8.996 -1.400 -3.654 162 HA GLU 21 HA GLU 21 10.639 0.476 -4.933 163 HB2 GLU 21 HB2 GLU 21 8.485 0.963 -3.793 164 HB3 GLU 21 HB1 GLU 21 9.267 0.687 -2.245 165 HG2 GLU 21 HG2 GLU 21 10.801 2.563 -2.737 166 HG3 GLU 21 HG1 GLU 21 9.888 2.871 -4.214 167 H ASN 22 HN ASN 22 11.133 -1.544 -2.169 168 HA ASN 22 HA ASN 22 13.481 -0.043 -1.293 169 HB2 ASN 22 HB2 ASN 22 12.231 -2.493 -0.034 170 HB3 ASN 22 HB1 ASN 22 13.428 -1.425 0.690 171 HD21 ASN 22 HD21 ASN 22 12.794 0.628 1.395 172 HD22 ASN 22 HD22 ASN 22 11.125 1.007 1.681 173 H GLY 23 HN GLY 23 13.108 -2.029 -3.709 174 HA2 GLY 23 HA2 GLY 23 15.426 -2.751 -4.507 175 HA3 GLY 23 HA1 GLY 23 15.421 -3.741 -3.054 176 H ASP 24 HN ASP 24 15.602 -4.503 -5.889 177 HA ASP 24 HA ASP 24 13.099 -5.994 -6.242 178 HB2 ASP 24 HB2 ASP 24 13.844 -6.305 -8.579 179 HB3 ASP 24 HB1 ASP 24 13.699 -4.609 -8.141 180 H ASP 25 HN ASP 25 14.310 -7.157 -4.321 181 HA ASP 25 HA ASP 25 15.610 -9.519 -5.498 182 HB2 ASP 25 HB2 ASP 25 16.442 -8.008 -3.019 183 HB3 ASP 25 HB1 ASP 25 16.928 -9.671 -3.316 184 H VAL 26 HN VAL 26 12.845 -9.085 -4.838 185 HA VAL 26 HA VAL 26 12.401 -10.410 -2.291 186 HB VAL 26 HB VAL 26 10.373 -9.495 -4.334 187 HG11 VAL 26 HG11 VAL 26 8.788 -9.599 -2.472 188 HG12 VAL 26 HG12 VAL 26 10.060 -10.230 -1.426 189 HG13 VAL 26 HG13 VAL 26 9.502 -11.177 -2.805 190 HG21 VAL 26 HG21 VAL 26 11.717 -7.627 -3.532 191 HG22 VAL 26 HG22 VAL 26 11.384 -8.092 -1.862 192 HG23 VAL 26 HG23 VAL 26 10.072 -7.537 -2.902 193 H PHE 27 HN PHE 27 12.144 -12.521 -2.068 194 HA PHE 27 HA PHE 27 11.892 -14.200 -4.446 195 HB2 PHE 27 HB2 PHE 27 12.482 -14.901 -1.564 196 HB3 PHE 27 HB1 PHE 27 12.414 -16.062 -2.885 197 HD1 PHE 27 HD1 PHE 27 14.320 -13.309 -1.388 198 HD2 PHE 27 HD2 PHE 27 14.191 -16.231 -4.478 199 HE1 PHE 27 HE1 PHE 27 16.711 -12.938 -1.834 200 HE2 PHE 27 HE2 PHE 27 16.581 -15.866 -4.927 201 HZ PHE 27 HZ PHE 27 17.843 -14.220 -3.604 202 H VAL 28 HN VAL 28 9.893 -14.713 -5.073 203 HA VAL 28 HA VAL 28 7.776 -14.860 -3.066 204 HB VAL 28 HB VAL 28 7.351 -13.645 -5.207 205 HG11 VAL 28 HG11 VAL 28 8.576 -15.071 -6.741 206 HG12 VAL 28 HG12 VAL 28 6.889 -14.939 -7.241 207 HG13 VAL 28 HG13 VAL 28 7.456 -16.398 -6.427 208 HG21 VAL 28 HG21 VAL 28 5.586 -16.028 -4.674 209 HG22 VAL 28 HG22 VAL 28 5.123 -14.604 -5.603 210 HG23 VAL 28 HG23 VAL 28 5.490 -14.455 -3.885 211 H HIS 29 HN HIS 29 6.595 -16.691 -2.634 212 HA HIS 29 HA HIS 29 7.638 -19.221 -3.708 213 HB2 HIS 29 HB2 HIS 29 7.251 -20.241 -1.456 214 HB3 HIS 29 HB1 HIS 29 8.530 -19.038 -1.479 215 HD1 HIS 29 HD1 HIS 29 5.562 -20.000 0.344 216 HD2 HIS 29 HD2 HIS 29 7.604 -16.447 -0.378 217 HE1 HIS 29 HE1 HIS 29 4.784 -18.392 2.120 218 HE2 HIS 29 HE2 HIS 29 6.139 -16.294 1.755 219 H PHE 30 HN PHE 30 6.024 -21.074 -3.261 220 HA PHE 30 HA PHE 30 3.844 -20.418 -4.891 221 HB2 PHE 30 HB2 PHE 30 4.543 -22.888 -3.343 222 HB3 PHE 30 HB1 PHE 30 3.040 -22.780 -4.254 223 HD1 PHE 30 HD2 PHE 30 3.064 -22.611 -6.683 224 HD2 PHE 30 HD1 PHE 30 6.662 -23.085 -4.461 225 HE1 PHE 30 HE2 PHE 30 4.248 -23.253 -8.742 226 HE2 PHE 30 HE1 PHE 30 7.851 -23.728 -6.517 227 HZ PHE 30 HZ PHE 30 6.644 -23.813 -8.660 228 H SER 31 HN SER 31 4.010 -20.463 -1.399 229 HA SER 31 HA SER 31 1.277 -20.662 -0.823 230 HB2 SER 31 HB2 SER 31 3.286 -18.926 0.628 231 HB3 SER 31 HB1 SER 31 1.772 -19.558 1.280 232 HG SER 31 HG SER 31 2.685 -21.695 0.848 233 H ALA 32 HN ALA 32 3.169 -17.991 -2.045 234 HA ALA 32 HA ALA 32 1.119 -16.014 -1.588 235 HB1 ALA 32 HB1 ALA 32 2.621 -14.493 -2.766 236 HB2 ALA 32 HB2 ALA 32 3.650 -15.851 -3.223 237 HB3 ALA 32 HB3 ALA 32 3.484 -15.401 -1.526 238 H ILE 33 HN ILE 33 1.873 -18.309 -3.978 239 HA ILE 33 HA ILE 33 0.794 -17.007 -6.260 240 HB ILE 33 HB ILE 33 1.693 -19.762 -5.598 241 HG12 ILE 33 HG12 ILE 33 2.951 -19.451 -7.732 242 HG13 ILE 33 HG11 ILE 33 2.224 -17.857 -7.883 243 HG21 ILE 33 HG21 ILE 33 0.888 -20.673 -7.724 244 HG22 ILE 33 HG22 ILE 33 -0.032 -19.195 -8.003 245 HG23 ILE 33 HG23 ILE 33 -0.437 -20.243 -6.643 246 HD11 ILE 33 HD11 ILE 33 3.314 -17.152 -5.826 247 HD12 ILE 33 HD12 ILE 33 4.488 -17.740 -7.006 248 HD13 ILE 33 HD13 ILE 33 4.020 -18.760 -5.644 249 H GLN 34 HN GLN 34 -1.215 -17.082 -7.141 250 HA GLN 34 HA GLN 34 -3.250 -18.763 -5.969 251 HB2 GLN 34 HB2 GLN 34 -4.804 -16.700 -5.863 252 HB3 GLN 34 HB1 GLN 34 -3.667 -16.974 -4.555 253 HG2 GLN 34 HG2 GLN 34 -3.485 -14.708 -4.935 254 HG3 GLN 34 HG1 GLN 34 -2.129 -15.364 -5.849 255 HE21 GLN 34 HE21 GLN 34 -5.290 -13.929 -6.031 256 HE22 GLN 34 HE22 GLN 34 -5.227 -13.520 -7.724 257 H GLY 35 HN GLY 35 -5.451 -17.444 -7.330 258 HA2 GLY 35 HA2 GLY 35 -4.859 -18.734 -9.884 259 HA3 GLY 35 HA1 GLY 35 -6.455 -18.422 -9.226 260 H ASP 36 HN ASP 36 -7.525 -17.198 -10.506 261 HA ASP 36 HA ASP 36 -8.233 -15.338 -11.616 262 HB2 ASP 36 HB2 ASP 36 -5.417 -14.259 -11.363 263 HB3 ASP 36 HB1 ASP 36 -6.790 -13.387 -12.033 264 H GLY 37 HN GLY 37 -4.871 -15.653 -12.730 265 HA2 GLY 37 HA2 GLY 37 -5.981 -16.244 -15.403 266 HA3 GLY 37 HA1 GLY 37 -4.501 -15.332 -15.137 267 H PHE 38 HN PHE 38 -2.911 -16.619 -13.664 268 HA PHE 38 HA PHE 38 -2.880 -19.459 -14.377 269 HB2 PHE 38 HB2 PHE 38 -0.573 -17.541 -14.814 270 HB3 PHE 38 HB1 PHE 38 -0.470 -19.289 -14.965 271 HD1 PHE 38 HD1 PHE 38 -2.004 -20.396 -16.713 272 HD2 PHE 38 HD2 PHE 38 -1.097 -16.238 -16.650 273 HE1 PHE 38 HE1 PHE 38 -2.620 -20.230 -19.088 274 HE2 PHE 38 HE2 PHE 38 -1.722 -16.065 -19.024 275 HZ PHE 38 HZ PHE 38 -2.482 -18.061 -20.246 276 H LYS 39 HN LYS 39 -1.501 -20.719 -12.970 277 HA LYS 39 HA LYS 39 -1.164 -19.509 -10.355 278 HB2 LYS 39 HB2 LYS 39 -0.732 -21.681 -9.486 279 HB3 LYS 39 HB1 LYS 39 -2.072 -21.842 -10.605 280 HG2 LYS 39 HG2 LYS 39 0.764 -22.477 -11.364 281 HG3 LYS 39 HG1 LYS 39 -0.326 -23.659 -10.647 282 HD2 LYS 39 HD2 LYS 39 -0.686 -22.210 -13.268 283 HD3 LYS 39 HD1 LYS 39 -0.317 -23.916 -13.040 284 HE2 LYS 39 HE2 LYS 39 -2.859 -22.510 -12.227 285 HE3 LYS 39 HE1 LYS 39 -2.664 -23.628 -13.575 286 HZ1 LYS 39 HZ1 LYS 39 -3.596 -24.881 -11.854 287 HZ2 LYS 39 HZ2 LYS 39 -2.575 -24.219 -10.675 288 HZ3 LYS 39 HZ3 LYS 39 -1.951 -25.299 -11.828 289 H SER 40 HN SER 40 0.613 -19.905 -13.142 290 HA SER 40 HA SER 40 3.190 -19.699 -11.843 291 HB2 SER 40 HB2 SER 40 3.907 -19.226 -14.280 292 HB3 SER 40 HB1 SER 40 3.290 -20.838 -13.916 293 HG SER 40 HG SER 40 2.049 -18.710 -15.298 294 H LEU 41 HN LEU 41 4.560 -17.746 -12.327 295 HA LEU 41 HA LEU 41 2.847 -15.378 -12.012 296 HB2 LEU 41 HB2 LEU 41 4.453 -16.132 -10.166 297 HB3 LEU 41 HB1 LEU 41 5.745 -15.608 -11.227 298 HG LEU 41 HG LEU 41 4.858 -13.315 -11.184 299 HD11 LEU 41 HD11 LEU 41 2.501 -13.824 -10.838 300 HD12 LEU 41 HD12 LEU 41 3.096 -12.725 -9.594 301 HD13 LEU 41 HD13 LEU 41 2.859 -14.433 -9.222 302 HD21 LEU 41 HD21 LEU 41 5.430 -12.818 -8.860 303 HD22 LEU 41 HD22 LEU 41 6.551 -13.978 -9.569 304 HD23 LEU 41 HD23 LEU 41 5.296 -14.530 -8.460 305 H ASP 42 HN ASP 42 2.950 -13.783 -13.468 306 HA ASP 42 HA ASP 42 4.447 -14.328 -15.869 307 HB2 ASP 42 HB2 ASP 42 2.421 -12.181 -15.231 308 HB3 ASP 42 HB1 ASP 42 3.129 -12.453 -16.821 309 H GLU 43 HN GLU 43 6.316 -13.524 -16.341 310 HA GLU 43 HA GLU 43 7.642 -11.580 -14.763 311 HB2 GLU 43 HB2 GLU 43 8.544 -12.104 -17.557 312 HB3 GLU 43 HB1 GLU 43 9.491 -11.982 -16.084 313 HG2 GLU 43 HG2 GLU 43 9.702 -14.206 -16.587 314 HG3 GLU 43 HG1 GLU 43 8.336 -14.230 -15.471 315 H GLY 44 HN GLY 44 7.430 -9.427 -14.832 316 HA2 GLY 44 HA2 GLY 44 7.553 -7.392 -16.096 317 HA3 GLY 44 HA1 GLY 44 6.716 -8.201 -17.411 318 H GLN 45 HN GLN 45 4.950 -9.249 -14.923 319 HA GLN 45 HA GLN 45 3.040 -7.071 -15.279 320 HB2 GLN 45 HB2 GLN 45 1.376 -8.498 -14.401 321 HB3 GLN 45 HB1 GLN 45 2.383 -9.525 -15.408 322 HG2 GLN 45 HG2 GLN 45 3.511 -10.391 -13.449 323 HG3 GLN 45 HG1 GLN 45 2.572 -9.318 -12.411 324 HE21 GLN 45 HE21 GLN 45 2.745 -12.193 -12.366 325 HE22 GLN 45 HE22 GLN 45 1.140 -12.797 -12.612 326 H ALA 46 HN ALA 46 1.931 -6.108 -13.446 327 HA ALA 46 HA ALA 46 3.804 -5.712 -11.215 328 HB1 ALA 46 HB1 ALA 46 2.704 -3.569 -10.857 329 HB2 ALA 46 HB2 ALA 46 1.565 -3.918 -12.157 330 HB3 ALA 46 HB3 ALA 46 3.277 -3.694 -12.520 331 H VAL 47 HN VAL 47 3.257 -6.574 -9.331 332 HA VAL 47 HA VAL 47 0.407 -7.083 -8.815 333 HB VAL 47 HB VAL 47 1.033 -9.215 -7.694 334 HG11 VAL 47 HG11 VAL 47 1.338 -10.520 -9.741 335 HG12 VAL 47 HG12 VAL 47 1.781 -9.050 -10.611 336 HG13 VAL 47 HG13 VAL 47 0.149 -9.236 -9.966 337 HG21 VAL 47 HG21 VAL 47 3.212 -10.228 -8.175 338 HG22 VAL 47 HG22 VAL 47 3.382 -8.736 -7.249 339 HG23 VAL 47 HG23 VAL 47 3.721 -8.743 -8.980 340 H THR 48 HN THR 48 -0.259 -6.926 -6.721 341 HA THR 48 HA THR 48 1.579 -5.680 -4.827 342 HB THR 48 HB THR 48 -1.340 -6.305 -4.355 343 HG1 THR 48 HG1 THR 48 -1.887 -4.412 -5.343 344 HG21 THR 48 HG21 THR 48 -1.218 -4.360 -2.867 345 HG22 THR 48 HG22 THR 48 0.484 -4.153 -3.282 346 HG23 THR 48 HG23 THR 48 -0.042 -5.594 -2.412 347 H PHE 49 HN PHE 49 1.865 -6.660 -2.688 348 HA PHE 49 HA PHE 49 0.740 -9.233 -2.146 349 HB2 PHE 49 HB2 PHE 49 2.906 -10.457 -2.060 350 HB3 PHE 49 HB1 PHE 49 2.436 -9.995 -3.690 351 HD1 PHE 49 HD1 PHE 49 4.813 -9.447 -0.971 352 HD2 PHE 49 HD2 PHE 49 3.679 -8.329 -4.916 353 HE1 PHE 49 HE1 PHE 49 6.998 -8.365 -1.289 354 HE2 PHE 49 HE2 PHE 49 5.861 -7.246 -5.243 355 HZ PHE 49 HZ PHE 49 7.525 -7.263 -3.427 356 H ASP 50 HN ASP 50 1.868 -10.226 -0.164 357 HA ASP 50 HA ASP 50 2.336 -8.046 1.754 358 HB2 ASP 50 HB2 ASP 50 0.667 -9.684 2.412 359 HB3 ASP 50 HB1 ASP 50 1.812 -11.000 2.167 360 H VAL 51 HN VAL 51 4.269 -7.801 2.851 361 HA VAL 51 HA VAL 51 6.492 -9.228 1.607 362 HB VAL 51 HB VAL 51 6.635 -6.812 1.490 363 HG11 VAL 51 HG11 VAL 51 5.330 -6.228 3.458 364 HG12 VAL 51 HG12 VAL 51 6.903 -5.431 3.486 365 HG13 VAL 51 HG13 VAL 51 6.611 -6.841 4.504 366 HG21 VAL 51 HG21 VAL 51 8.864 -6.499 2.455 367 HG22 VAL 51 HG22 VAL 51 8.713 -8.061 1.652 368 HG23 VAL 51 HG23 VAL 51 8.652 -7.965 3.411 369 H GLU 52 HN GLU 52 7.564 -10.758 2.618 370 HA GLU 52 HA GLU 52 7.401 -10.902 5.554 371 HB2 GLU 52 HB2 GLU 52 8.314 -13.054 3.637 372 HB3 GLU 52 HB1 GLU 52 8.039 -13.231 5.361 373 HG2 GLU 52 HG2 GLU 52 5.653 -12.895 5.024 374 HG3 GLU 52 HG1 GLU 52 5.929 -12.676 3.293 375 H GLU 53 HN GLU 53 9.150 -9.996 6.512 376 HA GLU 53 HA GLU 53 11.730 -9.999 5.251 377 HB2 GLU 53 HB2 GLU 53 10.901 -9.453 8.113 378 HB3 GLU 53 HB1 GLU 53 12.537 -9.247 7.499 379 HG2 GLU 53 HG2 GLU 53 11.772 -7.552 5.947 380 HG3 GLU 53 HG1 GLU 53 10.109 -7.787 6.483 381 H GLY 54 HN GLY 54 12.798 -11.829 4.935 382 HA2 GLY 54 HA2 GLY 54 12.055 -14.167 6.498 383 HA3 GLY 54 HA1 GLY 54 12.982 -14.158 5.006 384 H GLN 55 HN GLN 55 14.373 -15.661 6.043 385 HA GLN 55 HA GLN 55 15.702 -15.078 8.469 386 HB2 GLN 55 HB2 GLN 55 16.256 -17.086 6.289 387 HB3 GLN 55 HB1 GLN 55 17.233 -16.972 7.742 388 HG2 GLN 55 HG2 GLN 55 15.673 -18.736 8.042 389 HG3 GLN 55 HG1 GLN 55 15.189 -17.406 9.086 390 HE21 GLN 55 HE21 GLN 55 13.254 -16.391 8.741 391 HE22 GLN 55 HE22 GLN 55 12.072 -16.975 7.618 392 H ARG 56 HN ARG 56 16.480 -14.432 5.106 393 HA ARG 56 HA ARG 56 18.732 -12.817 5.988 394 HB2 ARG 56 HB2 ARG 56 20.347 -13.846 4.538 395 HB3 ARG 56 HB1 ARG 56 19.655 -15.091 5.567 396 HG2 ARG 56 HG2 ARG 56 18.281 -15.891 3.763 397 HG3 ARG 56 HG1 ARG 56 18.804 -14.560 2.729 398 HD2 ARG 56 HD2 ARG 56 20.059 -16.451 2.070 399 HD3 ARG 56 HD1 ARG 56 21.153 -15.425 2.995 400 HE ARG 56 HE ARG 56 19.894 -17.901 4.004 401 HH11 ARG 56 HH11 ARG 56 22.470 -15.521 4.093 402 HH12 ARG 56 HH12 ARG 56 23.466 -16.461 5.172 403 HH21 ARG 56 HH21 ARG 56 21.191 -19.133 5.391 404 HH22 ARG 56 HH22 ARG 56 22.743 -18.533 5.896 405 H GLY 57 HN GLY 57 16.022 -12.609 4.498 406 HA2 GLY 57 HA2 GLY 57 16.675 -10.469 2.830 407 HA3 GLY 57 HA1 GLY 57 16.568 -11.902 1.818 408 HA PRO 58 HA PRO 58 12.281 -10.252 2.575 409 HB2 PRO 58 HB2 PRO 58 11.823 -8.868 0.320 410 HB3 PRO 58 HB1 PRO 58 12.669 -8.159 1.698 411 HG2 PRO 58 HG2 PRO 58 13.744 -9.100 -0.900 412 HG3 PRO 58 HG1 PRO 58 14.342 -7.822 0.169 413 HD2 PRO 58 HD2 PRO 58 15.321 -10.472 -0.046 414 HD3 PRO 58 HD1 PRO 58 15.782 -9.257 1.159 415 H GLN 59 HN GLN 59 10.761 -11.718 2.208 416 HA GLN 59 HA GLN 59 10.645 -12.989 -0.445 417 HB2 GLN 59 HB2 GLN 59 9.524 -14.918 0.767 418 HB3 GLN 59 HB1 GLN 59 11.248 -14.720 1.040 419 HG2 GLN 59 HG2 GLN 59 10.777 -13.624 3.175 420 HG3 GLN 59 HG1 GLN 59 9.050 -13.850 2.897 421 HE21 GLN 59 HE21 GLN 59 8.153 -15.887 3.083 422 HE22 GLN 59 HE22 GLN 59 9.005 -17.211 3.815 423 H ALA 60 HN ALA 60 8.432 -13.686 -1.079 424 HA ALA 60 HA ALA 60 6.605 -11.496 -0.366 425 HB1 ALA 60 HB1 ALA 60 7.380 -11.533 -2.688 426 HB2 ALA 60 HB2 ALA 60 5.635 -11.768 -2.573 427 HB3 ALA 60 HB3 ALA 60 6.691 -13.145 -2.885 428 H ALA 61 HN ALA 61 4.818 -11.917 0.666 429 HA ALA 61 HA ALA 61 3.720 -14.638 0.691 430 HB1 ALA 61 HB1 ALA 61 4.084 -13.640 2.877 431 HB2 ALA 61 HB2 ALA 61 2.356 -13.834 2.580 432 HB3 ALA 61 HB3 ALA 61 3.106 -12.244 2.425 433 H ASN 62 HN ASN 62 1.083 -14.258 1.082 434 HA ASN 62 HA ASN 62 -0.028 -14.579 -1.248 435 HB2 ASN 62 HB2 ASN 62 -2.184 -13.843 -0.488 436 HB3 ASN 62 HB1 ASN 62 -1.318 -14.569 0.855 437 HD21 ASN 62 HD21 ASN 62 0.301 -12.379 1.552 438 HD22 ASN 62 HD22 ASN 62 -0.718 -11.141 2.192 439 H VAL 63 HN VAL 63 -0.404 -13.732 -3.112 440 HA VAL 63 HA VAL 63 0.353 -10.954 -3.580 441 HB VAL 63 HB VAL 63 -0.069 -13.260 -5.492 442 HG11 VAL 63 HG11 VAL 63 0.904 -10.463 -6.058 443 HG12 VAL 63 HG12 VAL 63 -0.615 -11.175 -6.606 444 HG13 VAL 63 HG13 VAL 63 0.920 -11.805 -7.203 445 HG21 VAL 63 HG21 VAL 63 2.371 -13.110 -5.792 446 HG22 VAL 63 HG22 VAL 63 1.914 -13.533 -4.143 447 HG23 VAL 63 HG23 VAL 63 2.432 -11.890 -4.520 448 H GLN 64 HN GLN 64 -0.970 -9.440 -4.335 449 HA GLN 64 HA GLN 64 -3.753 -10.143 -4.984 450 HB2 GLN 64 HB2 GLN 64 -3.550 -8.620 -3.080 451 HB3 GLN 64 HB1 GLN 64 -2.564 -7.527 -4.036 452 HG2 GLN 64 HG2 GLN 64 -4.459 -7.098 -5.509 453 HG3 GLN 64 HG1 GLN 64 -5.447 -8.205 -4.558 454 HE21 GLN 64 HE21 GLN 64 -6.098 -7.609 -2.498 455 HE22 GLN 64 HE22 GLN 64 -6.059 -5.966 -1.956 456 H LYS 65 HN LYS 65 -4.606 -9.412 -6.933 457 HA LYS 65 HA LYS 65 -2.555 -9.021 -8.950 458 HB2 LYS 65 HB2 LYS 65 -5.009 -10.387 -8.820 459 HB3 LYS 65 HB1 LYS 65 -5.228 -9.110 -10.007 460 HG2 LYS 65 HG2 LYS 65 -4.433 -11.345 -10.872 461 HG3 LYS 65 HG1 LYS 65 -3.502 -9.931 -11.370 462 HD2 LYS 65 HD2 LYS 65 -1.691 -10.487 -10.059 463 HD3 LYS 65 HD1 LYS 65 -2.672 -11.423 -8.920 464 HE2 LYS 65 HE2 LYS 65 -2.063 -12.247 -11.756 465 HE3 LYS 65 HE1 LYS 65 -1.197 -12.823 -10.333 466 HZ1 LYS 65 HZ1 LYS 65 -4.128 -13.128 -10.588 467 HZ2 LYS 65 HZ2 LYS 65 -3.073 -13.964 -9.563 468 HZ3 LYS 65 HZ3 LYS 65 -3.062 -14.272 -11.228 469 H ALA 66 HN ALA 66 -2.484 -7.379 -10.445 470 HA ALA 66 HA ALA 66 -4.229 -5.062 -9.954 471 HB1 ALA 66 HB1 ALA 66 -1.965 -4.653 -9.051 472 HB2 ALA 66 HB2 ALA 66 -2.370 -3.567 -10.381 473 HB3 ALA 66 HB3 ALA 66 -1.292 -4.937 -10.659 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 0.863 -4.331 0.319 2 H2 MET 1 HT2 MET 1 -0.164 -4.919 -0.898 3 H3 MET 1 HT3 MET 1 -0.811 -4.105 0.435 4 HA MET 1 HA MET 1 -0.761 -2.739 -1.579 5 HB2 MET 1 HB2 MET 1 -0.769 -1.678 0.612 6 HB3 MET 1 HB1 MET 1 0.972 -1.859 0.741 7 HG2 MET 1 HG2 MET 1 0.345 0.423 0.193 8 HG3 MET 1 HG1 MET 1 1.294 -0.311 -1.097 9 HE1 MET 1 HE1 MET 1 -1.068 2.048 -3.104 10 HE2 MET 1 HE2 MET 1 0.596 1.528 -2.846 11 HE3 MET 1 HE3 MET 1 -0.279 2.351 -1.556 12 H GLU 2 HN GLU 2 2.052 -4.530 -0.996 13 HA GLU 2 HA GLU 2 3.804 -2.731 -2.434 14 HB2 GLU 2 HB2 GLU 2 5.290 -4.992 -2.136 15 HB3 GLU 2 HB1 GLU 2 5.223 -3.678 -0.977 16 HG2 GLU 2 HG2 GLU 2 3.489 -6.136 -0.853 17 HG3 GLU 2 HG1 GLU 2 5.011 -5.944 0.011 18 H GLN 3 HN GLN 3 3.209 -2.580 -4.469 19 HA GLN 3 HA GLN 3 2.750 -5.009 -6.042 20 HB2 GLN 3 HB2 GLN 3 1.074 -3.118 -6.021 21 HB3 GLN 3 HB1 GLN 3 2.280 -2.131 -6.833 22 HG2 GLN 3 HG2 GLN 3 2.284 -3.677 -8.718 23 HG3 GLN 3 HG1 GLN 3 1.078 -4.674 -7.902 24 HE21 GLN 3 HE21 GLN 3 -1.015 -3.836 -7.593 25 HE22 GLN 3 HE22 GLN 3 -1.625 -2.548 -8.585 26 H GLY 4 HN GLY 4 4.161 -5.652 -7.581 27 HA2 GLY 4 HA2 GLY 4 6.104 -3.760 -8.641 28 HA3 GLY 4 HA1 GLY 4 6.764 -5.083 -7.687 29 H THR 5 HN THR 5 7.558 -4.823 -10.252 30 HA THR 5 HA THR 5 5.949 -6.599 -11.903 31 HB THR 5 HB THR 5 8.594 -5.266 -12.520 32 HG1 THR 5 HG1 THR 5 6.795 -3.807 -12.143 33 HG21 THR 5 HG21 THR 5 8.017 -5.720 -14.861 34 HG22 THR 5 HG22 THR 5 6.563 -6.573 -14.336 35 HG23 THR 5 HG23 THR 5 8.158 -7.212 -13.930 36 H VAL 6 HN VAL 6 6.313 -8.712 -12.096 37 HA VAL 6 HA VAL 6 8.417 -10.004 -10.648 38 HB VAL 6 HB VAL 6 6.598 -11.193 -12.756 39 HG11 VAL 6 HG11 VAL 6 8.208 -12.482 -10.556 40 HG12 VAL 6 HG12 VAL 6 8.511 -12.598 -12.291 41 HG13 VAL 6 HG13 VAL 6 7.056 -13.316 -11.598 42 HG21 VAL 6 HG21 VAL 6 5.268 -10.170 -11.003 43 HG22 VAL 6 HG22 VAL 6 6.208 -11.010 -9.770 44 HG23 VAL 6 HG23 VAL 6 5.193 -11.927 -10.882 45 H LYS 7 HN LYS 7 10.450 -9.700 -11.361 46 HA LYS 7 HA LYS 7 11.080 -9.245 -14.098 47 HB2 LYS 7 HB2 LYS 7 12.470 -8.288 -12.340 48 HB3 LYS 7 HB1 LYS 7 12.887 -9.895 -11.760 49 HG2 LYS 7 HG2 LYS 7 14.036 -10.365 -13.860 50 HG3 LYS 7 HG1 LYS 7 13.598 -8.766 -14.461 51 HD2 LYS 7 HD2 LYS 7 15.263 -9.246 -11.993 52 HD3 LYS 7 HD1 LYS 7 15.932 -8.944 -13.596 53 HE2 LYS 7 HE2 LYS 7 14.681 -6.792 -13.640 54 HE3 LYS 7 HE1 LYS 7 14.206 -7.086 -11.967 55 HZ1 LYS 7 HZ1 LYS 7 16.538 -7.092 -11.337 56 HZ2 LYS 7 HZ2 LYS 7 16.147 -5.638 -12.121 57 HZ3 LYS 7 HZ3 LYS 7 17.003 -6.847 -12.950 58 H TRP 8 HN TRP 8 11.210 -12.029 -11.950 59 HA TRP 8 HA TRP 8 11.269 -13.799 -14.227 60 HB2 TRP 8 HB2 TRP 8 13.703 -13.190 -13.763 61 HB3 TRP 8 HB1 TRP 8 13.526 -14.037 -12.230 62 HD1 TRP 8 HD1 TRP 8 12.537 -15.008 -15.857 63 HE1 TRP 8 HE1 TRP 8 13.450 -17.368 -16.323 64 HE3 TRP 8 HE3 TRP 8 14.873 -15.856 -11.388 65 HZ2 TRP 8 HZ2 TRP 8 14.973 -19.323 -14.969 66 HZ3 TRP 8 HZ3 TRP 8 16.040 -17.997 -11.057 67 HH2 TRP 8 HH2 TRP 8 16.087 -19.693 -12.812 68 H PHE 9 HN PHE 9 10.717 -15.976 -13.643 69 HA PHE 9 HA PHE 9 9.853 -16.289 -10.850 70 HB2 PHE 9 HB2 PHE 9 7.968 -15.656 -12.427 71 HB3 PHE 9 HB1 PHE 9 8.219 -17.205 -13.223 72 HD1 PHE 9 HD2 PHE 9 7.466 -15.704 -9.908 73 HD2 PHE 9 HD1 PHE 9 7.126 -19.102 -12.449 74 HE1 PHE 9 HE2 PHE 9 5.974 -16.774 -8.268 75 HE2 PHE 9 HE1 PHE 9 5.634 -20.177 -10.813 76 HZ PHE 9 HZ PHE 9 5.056 -19.015 -8.721 77 H ASN 10 HN ASN 10 11.397 -17.726 -10.239 78 HA ASN 10 HA ASN 10 12.054 -19.971 -11.937 79 HB2 ASN 10 HB2 ASN 10 13.518 -20.627 -9.937 80 HB3 ASN 10 HB1 ASN 10 13.943 -19.156 -10.798 81 HD21 ASN 10 HD21 ASN 10 14.554 -20.009 -8.068 82 HD22 ASN 10 HD22 ASN 10 13.947 -18.771 -7.032 83 H ALA 11 HN ALA 11 9.932 -20.816 -12.025 84 HA ALA 11 HA ALA 11 8.450 -21.630 -9.765 85 HB1 ALA 11 HB1 ALA 11 7.434 -21.213 -11.953 86 HB2 ALA 11 HB2 ALA 11 7.046 -22.828 -11.358 87 HB3 ALA 11 HB3 ALA 11 8.273 -22.620 -12.609 88 H GLU 12 HN GLU 12 10.961 -23.178 -11.639 89 HA GLU 12 HA GLU 12 10.570 -25.826 -10.771 90 HB2 GLU 12 HB2 GLU 12 12.103 -25.303 -12.581 91 HB3 GLU 12 HB1 GLU 12 13.124 -24.375 -11.490 92 HG2 GLU 12 HG2 GLU 12 13.608 -26.428 -10.230 93 HG3 GLU 12 HG1 GLU 12 12.631 -27.343 -11.379 94 H LYS 13 HN LYS 13 12.155 -23.067 -9.281 95 HA LYS 13 HA LYS 13 13.158 -24.639 -7.060 96 HB2 LYS 13 HB2 LYS 13 12.988 -21.633 -7.238 97 HB3 LYS 13 HB1 LYS 13 14.059 -22.590 -6.228 98 HG2 LYS 13 HG2 LYS 13 14.212 -22.623 -9.228 99 HG3 LYS 13 HG1 LYS 13 15.081 -21.450 -8.243 100 HD2 LYS 13 HD2 LYS 13 16.674 -23.091 -8.552 101 HD3 LYS 13 HD1 LYS 13 15.977 -23.549 -7.000 102 HE2 LYS 13 HE2 LYS 13 14.702 -25.290 -7.987 103 HE3 LYS 13 HE1 LYS 13 15.038 -24.704 -9.616 104 HZ1 LYS 13 HZ1 LYS 13 16.377 -26.653 -9.030 105 HZ2 LYS 13 HZ2 LYS 13 17.076 -25.794 -7.748 106 HZ3 LYS 13 HZ3 LYS 13 17.341 -25.295 -9.348 107 H GLY 14 HN GLY 14 10.374 -22.838 -7.946 108 HA2 GLY 14 HA2 GLY 14 8.295 -22.942 -6.847 109 HA3 GLY 14 HA1 GLY 14 9.121 -23.434 -5.375 110 H PHE 15 HN PHE 15 10.218 -20.731 -7.289 111 HA PHE 15 HA PHE 15 9.128 -18.875 -5.308 112 HB2 PHE 15 HB2 PHE 15 12.067 -19.156 -5.973 113 HB3 PHE 15 HB1 PHE 15 11.380 -17.784 -5.113 114 HD1 PHE 15 HD1 PHE 15 10.193 -18.228 -2.913 115 HD2 PHE 15 HD2 PHE 15 12.701 -21.083 -4.828 116 HE1 PHE 15 HE1 PHE 15 10.460 -19.420 -0.779 117 HE2 PHE 15 HE2 PHE 15 12.965 -22.285 -2.697 118 HZ PHE 15 HZ PHE 15 11.845 -21.452 -0.669 119 H GLY 16 HN GLY 16 10.075 -16.575 -5.970 120 HA2 GLY 16 HA2 GLY 16 10.427 -16.272 -8.838 121 HA3 GLY 16 HA1 GLY 16 8.969 -15.541 -8.169 122 H PHE 17 HN PHE 17 10.973 -14.019 -9.407 123 HA PHE 17 HA PHE 17 11.962 -12.514 -7.077 124 HB2 PHE 17 HB2 PHE 17 13.228 -12.715 -9.819 125 HB3 PHE 17 HB1 PHE 17 13.801 -11.691 -8.509 126 HD1 PHE 17 HD2 PHE 17 14.498 -12.856 -6.329 127 HD2 PHE 17 HD1 PHE 17 14.006 -14.887 -10.038 128 HE1 PHE 17 HE2 PHE 17 15.905 -14.700 -5.504 129 HE2 PHE 17 HE1 PHE 17 15.414 -16.732 -9.219 130 HZ PHE 17 HZ PHE 17 16.367 -16.640 -6.950 131 H ILE 18 HN ILE 18 11.352 -10.464 -6.926 132 HA ILE 18 HA ILE 18 10.044 -9.222 -9.258 133 HB ILE 18 HB ILE 18 9.291 -9.054 -6.339 134 HG12 ILE 18 HG12 ILE 18 7.775 -9.914 -8.810 135 HG13 ILE 18 HG11 ILE 18 8.361 -10.962 -7.521 136 HG21 ILE 18 HG21 ILE 18 7.585 -7.412 -6.960 137 HG22 ILE 18 HG22 ILE 18 8.235 -7.365 -8.600 138 HG23 ILE 18 HG23 ILE 18 9.217 -6.804 -7.247 139 HD11 ILE 18 HD11 ILE 18 6.838 -9.899 -5.954 140 HD12 ILE 18 HD12 ILE 18 5.974 -10.561 -7.339 141 HD13 ILE 18 HD13 ILE 18 6.264 -8.825 -7.230 142 H GLU 19 HN GLU 19 10.484 -7.074 -9.656 143 HA GLU 19 HA GLU 19 12.754 -5.979 -8.166 144 HB2 GLU 19 HB2 GLU 19 13.033 -4.444 -10.084 145 HB3 GLU 19 HB1 GLU 19 13.134 -6.134 -10.554 146 HG2 GLU 19 HG2 GLU 19 10.851 -6.037 -11.407 147 HG3 GLU 19 HG1 GLU 19 10.739 -4.346 -10.919 148 H ARG 20 HN ARG 20 12.415 -4.448 -6.740 149 HA ARG 20 HA ARG 20 9.990 -2.811 -7.007 150 HB2 ARG 20 HB2 ARG 20 11.013 -4.330 -4.667 151 HB3 ARG 20 HB1 ARG 20 10.291 -2.757 -4.358 152 HG2 ARG 20 HG2 ARG 20 8.953 -5.036 -5.811 153 HG3 ARG 20 HG1 ARG 20 8.657 -4.563 -4.135 154 HD2 ARG 20 HD2 ARG 20 8.169 -2.865 -6.584 155 HD3 ARG 20 HD1 ARG 20 6.932 -3.662 -5.612 156 HE ARG 20 HE ARG 20 8.100 -2.151 -3.762 157 HH11 ARG 20 HH11 ARG 20 7.137 -1.343 -7.040 158 HH12 ARG 20 HH12 ARG 20 6.828 0.322 -6.672 159 HH21 ARG 20 HH21 ARG 20 7.700 0.061 -3.291 160 HH22 ARG 20 HH22 ARG 20 7.153 1.126 -4.553 161 H GLU 21 HN GLU 21 10.284 -1.061 -5.069 162 HA GLU 21 HA GLU 21 12.042 0.799 -6.252 163 HB2 GLU 21 HB2 GLU 21 9.807 1.197 -5.140 164 HB3 GLU 21 HB1 GLU 21 10.630 1.029 -3.601 165 HG2 GLU 21 HG2 GLU 21 11.826 2.999 -3.885 166 HG3 GLU 21 HG1 GLU 21 11.527 3.034 -5.626 167 H ASN 22 HN ASN 22 12.337 -1.333 -3.504 168 HA ASN 22 HA ASN 22 14.708 0.030 -2.506 169 HB2 ASN 22 HB2 ASN 22 13.052 -0.991 -0.945 170 HB3 ASN 22 HB1 ASN 22 13.461 -2.574 -1.591 171 HD21 ASN 22 HD21 ASN 22 15.409 -3.532 -1.019 172 HD22 ASN 22 HD22 ASN 22 16.410 -2.922 0.252 173 H GLY 23 HN GLY 23 13.911 -2.515 -4.661 174 HA2 GLY 23 HA2 GLY 23 16.305 -2.949 -5.823 175 HA3 GLY 23 HA1 GLY 23 16.405 -3.943 -4.375 176 H ASP 24 HN ASP 24 16.596 -5.185 -6.776 177 HA ASP 24 HA ASP 24 13.925 -6.309 -7.281 178 HB2 ASP 24 HB2 ASP 24 14.856 -7.138 -9.398 179 HB3 ASP 24 HB1 ASP 24 15.031 -5.395 -9.257 180 H ASP 25 HN ASP 25 14.719 -7.225 -5.024 181 HA ASP 25 HA ASP 25 15.660 -9.947 -5.574 182 HB2 ASP 25 HB2 ASP 25 17.032 -9.921 -3.544 183 HB3 ASP 25 HB1 ASP 25 17.559 -8.680 -4.673 184 H VAL 26 HN VAL 26 12.998 -8.900 -5.241 185 HA VAL 26 HA VAL 26 12.200 -9.609 -2.539 186 HB VAL 26 HB VAL 26 10.450 -8.930 -4.916 187 HG11 VAL 26 HG11 VAL 26 9.253 -10.131 -3.175 188 HG12 VAL 26 HG12 VAL 26 8.742 -8.444 -3.216 189 HG13 VAL 26 HG13 VAL 26 9.847 -9.001 -1.961 190 HG21 VAL 26 HG21 VAL 26 11.464 -7.142 -2.704 191 HG22 VAL 26 HG22 VAL 26 10.299 -6.682 -3.946 192 HG23 VAL 26 HG23 VAL 26 11.956 -7.086 -4.398 193 H PHE 27 HN PHE 27 12.027 -11.656 -1.992 194 HA PHE 27 HA PHE 27 11.852 -13.750 -3.942 195 HB2 PHE 27 HB2 PHE 27 11.789 -13.842 -0.922 196 HB3 PHE 27 HB1 PHE 27 11.821 -15.265 -1.958 197 HD1 PHE 27 HD2 PHE 27 13.792 -15.214 -3.754 198 HD2 PHE 27 HD1 PHE 27 13.769 -13.116 -0.053 199 HE1 PHE 27 HE2 PHE 27 16.248 -15.134 -3.788 200 HE2 PHE 27 HE1 PHE 27 16.226 -13.036 -0.080 201 HZ PHE 27 HZ PHE 27 17.469 -14.045 -1.949 202 H VAL 28 HN VAL 28 10.050 -14.372 -4.871 203 HA VAL 28 HA VAL 28 7.477 -14.104 -3.527 204 HB VAL 28 HB VAL 28 8.157 -15.168 -6.280 205 HG11 VAL 28 HG11 VAL 28 5.473 -14.473 -5.089 206 HG12 VAL 28 HG12 VAL 28 6.061 -16.096 -5.442 207 HG13 VAL 28 HG13 VAL 28 5.769 -14.961 -6.758 208 HG21 VAL 28 HG21 VAL 28 8.679 -12.807 -6.041 209 HG22 VAL 28 HG22 VAL 28 7.057 -12.496 -5.422 210 HG23 VAL 28 HG23 VAL 28 7.278 -13.030 -7.089 211 H HIS 29 HN HIS 29 6.343 -15.783 -2.667 212 HA HIS 29 HA HIS 29 7.642 -18.427 -2.663 213 HB2 HIS 29 HB2 HIS 29 5.456 -17.352 -0.859 214 HB3 HIS 29 HB1 HIS 29 6.253 -18.910 -0.694 215 HD1 HIS 29 HD1 HIS 29 6.634 -15.299 0.053 216 HD2 HIS 29 HD2 HIS 29 8.884 -18.782 0.368 217 HE1 HIS 29 HE1 HIS 29 8.542 -14.735 1.576 218 HE2 HIS 29 HE2 HIS 29 9.774 -16.903 1.906 219 H PHE 30 HN PHE 30 6.671 -20.122 -3.706 220 HA PHE 30 HA PHE 30 4.419 -19.794 -5.338 221 HB2 PHE 30 HB2 PHE 30 4.473 -22.164 -5.712 222 HB3 PHE 30 HB1 PHE 30 6.139 -21.625 -5.548 223 HD1 PHE 30 HD2 PHE 30 7.246 -21.924 -3.240 224 HD2 PHE 30 HD1 PHE 30 3.666 -23.902 -4.415 225 HE1 PHE 30 HE2 PHE 30 7.599 -23.603 -1.478 226 HE2 PHE 30 HE1 PHE 30 4.011 -25.584 -2.653 227 HZ PHE 30 HZ PHE 30 5.980 -25.436 -1.182 228 H SER 31 HN SER 31 4.698 -20.586 -1.985 229 HA SER 31 HA SER 31 2.079 -21.656 -1.636 230 HB2 SER 31 HB2 SER 31 4.033 -22.133 -0.142 231 HB3 SER 31 HB1 SER 31 3.935 -20.475 0.446 232 HG SER 31 HG SER 31 1.864 -22.423 0.620 233 H ALA 32 HN ALA 32 3.094 -18.583 -2.342 234 HA ALA 32 HA ALA 32 1.073 -17.242 -0.700 235 HB1 ALA 32 HB1 ALA 32 3.340 -16.297 -0.771 236 HB2 ALA 32 HB2 ALA 32 2.124 -15.176 -1.381 237 HB3 ALA 32 HB3 ALA 32 3.167 -16.045 -2.509 238 H ILE 33 HN ILE 33 1.568 -18.438 -3.851 239 HA ILE 33 HA ILE 33 -0.118 -16.559 -5.223 240 HB ILE 33 HB ILE 33 1.155 -19.159 -6.053 241 HG12 ILE 33 HG12 ILE 33 2.116 -17.606 -7.839 242 HG13 ILE 33 HG11 ILE 33 1.452 -16.276 -6.900 243 HG21 ILE 33 HG21 ILE 33 0.208 -18.876 -8.295 244 HG22 ILE 33 HG22 ILE 33 -0.778 -17.537 -7.706 245 HG23 ILE 33 HG23 ILE 33 -1.041 -19.166 -7.082 246 HD11 ILE 33 HD11 ILE 33 2.836 -16.903 -5.006 247 HD12 ILE 33 HD12 ILE 33 3.817 -16.617 -6.447 248 HD13 ILE 33 HD13 ILE 33 3.481 -18.268 -5.919 249 H GLN 34 HN GLN 34 -2.245 -16.538 -5.167 250 HA GLN 34 HA GLN 34 -3.805 -18.769 -4.278 251 HB2 GLN 34 HB2 GLN 34 -5.748 -17.355 -5.011 252 HB3 GLN 34 HB1 GLN 34 -4.685 -16.578 -3.845 253 HG2 GLN 34 HG2 GLN 34 -3.622 -15.321 -5.630 254 HG3 GLN 34 HG1 GLN 34 -4.652 -16.119 -6.816 255 HE21 GLN 34 HE21 GLN 34 -4.322 -13.319 -6.116 256 HE22 GLN 34 HE22 GLN 34 -5.896 -12.733 -5.719 257 H GLY 35 HN GLY 35 -4.384 -20.437 -5.462 258 HA2 GLY 35 HA2 GLY 35 -3.549 -20.478 -8.241 259 HA3 GLY 35 HA1 GLY 35 -4.025 -21.864 -7.276 260 H ASP 36 HN ASP 36 -5.540 -22.810 -8.425 261 HA ASP 36 HA ASP 36 -7.555 -23.253 -9.350 262 HB2 ASP 36 HB2 ASP 36 -8.490 -21.866 -7.471 263 HB3 ASP 36 HB1 ASP 36 -8.444 -20.475 -8.549 264 H GLY 37 HN GLY 37 -7.439 -19.755 -9.994 265 HA2 GLY 37 HA2 GLY 37 -7.921 -20.167 -12.790 266 HA3 GLY 37 HA1 GLY 37 -7.588 -18.629 -12.002 267 H PHE 38 HN PHE 38 -5.155 -18.859 -10.967 268 HA PHE 38 HA PHE 38 -3.412 -19.777 -13.149 269 HB2 PHE 38 HB2 PHE 38 -3.304 -17.110 -11.731 270 HB3 PHE 38 HB1 PHE 38 -1.977 -17.745 -12.695 271 HD1 PHE 38 HD1 PHE 38 -2.389 -18.219 -15.139 272 HD2 PHE 38 HD2 PHE 38 -5.083 -15.974 -12.729 273 HE1 PHE 38 HE1 PHE 38 -3.390 -17.254 -17.167 274 HE2 PHE 38 HE2 PHE 38 -6.095 -15.008 -14.754 275 HZ PHE 38 HZ PHE 38 -5.248 -15.647 -16.977 276 H LYS 39 HN LYS 39 -2.053 -21.228 -12.406 277 HA LYS 39 HA LYS 39 -1.318 -21.232 -9.579 278 HB2 LYS 39 HB2 LYS 39 -0.267 -23.476 -10.204 279 HB3 LYS 39 HB1 LYS 39 -2.021 -23.373 -10.256 280 HG2 LYS 39 HG2 LYS 39 -1.422 -24.570 -12.177 281 HG3 LYS 39 HG1 LYS 39 -1.779 -22.946 -12.752 282 HD2 LYS 39 HD2 LYS 39 0.193 -23.649 -13.864 283 HD3 LYS 39 HD1 LYS 39 0.697 -22.485 -12.636 284 HE2 LYS 39 HE2 LYS 39 2.220 -24.342 -12.622 285 HE3 LYS 39 HE1 LYS 39 1.265 -24.379 -11.141 286 HZ1 LYS 39 HZ1 LYS 39 -0.133 -26.086 -12.115 287 HZ2 LYS 39 HZ2 LYS 39 1.492 -26.578 -12.140 288 HZ3 LYS 39 HZ3 LYS 39 0.751 -26.028 -13.563 289 H SER 40 HN SER 40 -0.229 -19.555 -11.978 290 HA SER 40 HA SER 40 2.518 -19.594 -11.090 291 HB2 SER 40 HB2 SER 40 2.417 -21.323 -12.907 292 HB3 SER 40 HB1 SER 40 1.884 -20.062 -14.017 293 HG SER 40 HG SER 40 3.856 -19.260 -14.079 294 H LEU 41 HN LEU 41 3.685 -17.726 -11.787 295 HA LEU 41 HA LEU 41 1.931 -15.540 -12.671 296 HB2 LEU 41 HB2 LEU 41 4.506 -15.449 -11.091 297 HB3 LEU 41 HB1 LEU 41 3.624 -14.037 -11.640 298 HG LEU 41 HG LEU 41 2.607 -16.088 -9.668 299 HD11 LEU 41 HD11 LEU 41 3.503 -13.236 -9.282 300 HD12 LEU 41 HD12 LEU 41 4.368 -14.676 -8.752 301 HD13 LEU 41 HD13 LEU 41 2.806 -14.277 -8.042 302 HD21 LEU 41 HD21 LEU 41 1.361 -13.503 -10.601 303 HD22 LEU 41 HD22 LEU 41 0.718 -14.588 -9.369 304 HD23 LEU 41 HD23 LEU 41 0.817 -15.120 -11.047 305 H ASP 42 HN ASP 42 2.404 -14.468 -14.493 306 HA ASP 42 HA ASP 42 4.479 -15.536 -16.196 307 HB2 ASP 42 HB2 ASP 42 2.452 -13.333 -16.658 308 HB3 ASP 42 HB1 ASP 42 3.546 -13.961 -17.884 309 H GLU 43 HN GLU 43 6.461 -14.740 -16.352 310 HA GLU 43 HA GLU 43 7.289 -12.523 -14.826 311 HB2 GLU 43 HB2 GLU 43 9.427 -12.739 -16.305 312 HB3 GLU 43 HB1 GLU 43 9.034 -13.982 -15.132 313 HG2 GLU 43 HG2 GLU 43 9.737 -15.108 -17.058 314 HG3 GLU 43 HG1 GLU 43 7.988 -15.272 -17.028 315 H GLY 44 HN GLY 44 7.692 -10.457 -15.294 316 HA2 GLY 44 HA2 GLY 44 7.965 -8.641 -16.829 317 HA3 GLY 44 HA1 GLY 44 7.003 -9.529 -17.999 318 H GLN 45 HN GLN 45 5.102 -10.215 -15.652 319 HA GLN 45 HA GLN 45 3.482 -7.829 -16.067 320 HB2 GLN 45 HB2 GLN 45 1.617 -9.083 -15.393 321 HB3 GLN 45 HB1 GLN 45 2.609 -10.234 -16.273 322 HG2 GLN 45 HG2 GLN 45 3.459 -11.112 -14.146 323 HG3 GLN 45 HG1 GLN 45 2.427 -9.975 -13.279 324 HE21 GLN 45 HE21 GLN 45 2.448 -12.868 -13.175 325 HE22 GLN 45 HE22 GLN 45 0.866 -13.398 -13.649 326 H ALA 46 HN ALA 46 2.442 -6.707 -14.354 327 HA ALA 46 HA ALA 46 4.057 -6.591 -11.919 328 HB1 ALA 46 HB1 ALA 46 1.895 -4.712 -12.873 329 HB2 ALA 46 HB2 ALA 46 3.622 -4.502 -13.160 330 HB3 ALA 46 HB3 ALA 46 2.989 -4.455 -11.514 331 H VAL 47 HN VAL 47 3.308 -7.228 -9.981 332 HA VAL 47 HA VAL 47 0.435 -7.722 -9.659 333 HB VAL 47 HB VAL 47 0.973 -9.844 -8.400 334 HG11 VAL 47 HG11 VAL 47 -0.011 -9.914 -10.624 335 HG12 VAL 47 HG12 VAL 47 1.146 -11.231 -10.418 336 HG13 VAL 47 HG13 VAL 47 1.592 -9.803 -11.354 337 HG21 VAL 47 HG21 VAL 47 3.617 -9.566 -9.826 338 HG22 VAL 47 HG22 VAL 47 3.074 -10.976 -8.914 339 HG23 VAL 47 HG23 VAL 47 3.365 -9.447 -8.084 340 H THR 48 HN THR 48 -0.184 -7.967 -7.370 341 HA THR 48 HA THR 48 1.499 -6.215 -5.717 342 HB THR 48 HB THR 48 -1.400 -6.839 -5.206 343 HG1 THR 48 HG1 THR 48 -1.635 -5.902 -7.126 344 HG21 THR 48 HG21 THR 48 -1.346 -4.648 -4.090 345 HG22 THR 48 HG22 THR 48 0.365 -4.494 -4.492 346 HG23 THR 48 HG23 THR 48 -0.174 -5.765 -3.392 347 H PHE 49 HN PHE 49 1.968 -6.779 -3.581 348 HA PHE 49 HA PHE 49 1.155 -9.462 -2.699 349 HB2 PHE 49 HB2 PHE 49 3.939 -8.402 -3.028 350 HB3 PHE 49 HB1 PHE 49 3.597 -9.562 -1.752 351 HD1 PHE 49 HD1 PHE 49 3.435 -9.059 -5.423 352 HD2 PHE 49 HD2 PHE 49 3.493 -11.837 -2.203 353 HE1 PHE 49 HE1 PHE 49 3.739 -10.903 -7.018 354 HE2 PHE 49 HE2 PHE 49 3.795 -13.683 -3.796 355 HZ PHE 49 HZ PHE 49 3.920 -13.214 -6.207 356 H ASP 50 HN ASP 50 1.665 -9.855 -0.411 357 HA ASP 50 HA ASP 50 1.720 -7.415 1.247 358 HB2 ASP 50 HB2 ASP 50 -0.041 -9.093 1.742 359 HB3 ASP 50 HB1 ASP 50 1.204 -10.302 2.026 360 H VAL 51 HN VAL 51 3.510 -6.959 2.525 361 HA VAL 51 HA VAL 51 5.896 -8.431 1.740 362 HB VAL 51 HB VAL 51 5.802 -5.942 1.554 363 HG11 VAL 51 HG11 VAL 51 6.142 -4.597 3.583 364 HG12 VAL 51 HG12 VAL 51 5.908 -6.040 4.569 365 HG13 VAL 51 HG13 VAL 51 4.584 -5.420 3.584 366 HG21 VAL 51 HG21 VAL 51 7.964 -7.067 3.330 367 HG22 VAL 51 HG22 VAL 51 8.069 -5.559 2.418 368 HG23 VAL 51 HG23 VAL 51 7.932 -7.099 1.567 369 H GLU 52 HN GLU 52 7.291 -9.470 3.074 370 HA GLU 52 HA GLU 52 6.982 -9.217 5.962 371 HB2 GLU 52 HB2 GLU 52 7.108 -11.674 6.264 372 HB3 GLU 52 HB1 GLU 52 5.627 -11.163 5.465 373 HG2 GLU 52 HG2 GLU 52 6.308 -11.995 3.398 374 HG3 GLU 52 HG1 GLU 52 8.002 -12.066 3.884 375 H GLU 53 HN GLU 53 8.888 -9.692 7.113 376 HA GLU 53 HA GLU 53 11.291 -9.893 5.460 377 HB2 GLU 53 HB2 GLU 53 10.991 -9.373 8.423 378 HB3 GLU 53 HB1 GLU 53 12.516 -9.404 7.551 379 HG2 GLU 53 HG2 GLU 53 11.611 -7.546 6.121 380 HG3 GLU 53 HG1 GLU 53 10.275 -7.432 7.267 381 H GLY 54 HN GLY 54 12.348 -11.746 5.207 382 HA2 GLY 54 HA2 GLY 54 11.433 -14.033 6.813 383 HA3 GLY 54 HA1 GLY 54 12.203 -14.132 5.236 384 H GLN 55 HN GLN 55 13.423 -15.793 6.465 385 HA GLN 55 HA GLN 55 15.387 -14.874 8.361 386 HB2 GLN 55 HB2 GLN 55 16.155 -17.215 8.324 387 HB3 GLN 55 HB1 GLN 55 14.418 -17.101 8.579 388 HG2 GLN 55 HG2 GLN 55 14.160 -17.492 6.097 389 HG3 GLN 55 HG1 GLN 55 15.873 -17.909 6.082 390 HE21 GLN 55 HE21 GLN 55 13.560 -19.555 5.463 391 HE22 GLN 55 HE22 GLN 55 13.620 -20.906 6.540 392 H ARG 56 HN ARG 56 15.153 -14.402 5.191 393 HA ARG 56 HA ARG 56 18.063 -14.524 4.772 394 HB2 ARG 56 HB2 ARG 56 15.846 -15.003 2.781 395 HB3 ARG 56 HB1 ARG 56 17.501 -14.670 2.298 396 HG2 ARG 56 HG2 ARG 56 16.673 -16.979 4.043 397 HG3 ARG 56 HG1 ARG 56 16.905 -17.075 2.298 398 HD2 ARG 56 HD2 ARG 56 18.909 -17.861 3.289 399 HD3 ARG 56 HD1 ARG 56 19.254 -16.246 2.676 400 HE ARG 56 HE ARG 56 18.498 -16.485 5.485 401 HH11 ARG 56 HH11 ARG 56 21.021 -16.017 3.104 402 HH12 ARG 56 HH12 ARG 56 22.178 -15.418 4.259 403 HH21 ARG 56 HH21 ARG 56 19.989 -15.715 7.004 404 HH22 ARG 56 HH22 ARG 56 21.589 -15.271 6.496 405 H GLY 57 HN GLY 57 15.122 -12.909 3.562 406 HA2 GLY 57 HA2 GLY 57 16.129 -10.311 4.118 407 HA3 GLY 57 HA1 GLY 57 16.311 -10.700 2.411 408 HA PRO 58 HA PRO 58 12.078 -8.901 2.865 409 HB2 PRO 58 HB2 PRO 58 12.619 -7.798 0.224 410 HB3 PRO 58 HB1 PRO 58 12.206 -6.956 1.717 411 HG2 PRO 58 HG2 PRO 58 14.666 -6.851 0.545 412 HG3 PRO 58 HG1 PRO 58 14.391 -6.622 2.282 413 HD2 PRO 58 HD2 PRO 58 15.448 -8.988 0.818 414 HD3 PRO 58 HD1 PRO 58 15.851 -8.385 2.437 415 H GLN 59 HN GLN 59 10.640 -10.449 2.448 416 HA GLN 59 HA GLN 59 10.576 -11.550 -0.270 417 HB2 GLN 59 HB2 GLN 59 9.858 -13.731 0.710 418 HB3 GLN 59 HB1 GLN 59 11.519 -13.291 1.072 419 HG2 GLN 59 HG2 GLN 59 10.702 -12.458 3.297 420 HG3 GLN 59 HG1 GLN 59 9.145 -13.194 2.912 421 HE21 GLN 59 HE21 GLN 59 9.214 -14.704 4.545 422 HE22 GLN 59 HE22 GLN 59 10.338 -16.029 4.548 423 H ALA 60 HN ALA 60 8.423 -12.436 -0.850 424 HA ALA 60 HA ALA 60 6.362 -10.724 0.375 425 HB1 ALA 60 HB1 ALA 60 7.118 -9.938 -1.829 426 HB2 ALA 60 HB2 ALA 60 5.417 -10.394 -1.817 427 HB3 ALA 60 HB3 ALA 60 6.611 -11.475 -2.528 428 H ALA 61 HN ALA 61 4.362 -11.515 0.700 429 HA ALA 61 HA ALA 61 3.704 -14.206 -0.260 430 HB1 ALA 61 HB1 ALA 61 3.404 -13.295 2.607 431 HB2 ALA 61 HB2 ALA 61 4.530 -14.518 2.013 432 HB3 ALA 61 HB3 ALA 61 2.791 -14.812 1.946 433 H ASN 62 HN ASN 62 1.299 -14.625 0.132 434 HA ASN 62 HA ASN 62 -0.832 -14.097 -0.434 435 HB2 ASN 62 HB2 ASN 62 -0.301 -11.426 0.879 436 HB3 ASN 62 HB1 ASN 62 -1.867 -12.186 0.614 437 HD21 ASN 62 HD21 ASN 62 1.001 -12.125 2.516 438 HD22 ASN 62 HD22 ASN 62 0.442 -13.166 3.788 439 H VAL 63 HN VAL 63 -0.890 -14.022 -2.589 440 HA VAL 63 HA VAL 63 0.155 -11.712 -4.004 441 HB VAL 63 HB VAL 63 -1.151 -14.198 -5.129 442 HG11 VAL 63 HG11 VAL 63 -0.104 -13.544 -7.239 443 HG12 VAL 63 HG12 VAL 63 0.513 -12.076 -6.479 444 HG13 VAL 63 HG13 VAL 63 -1.225 -12.310 -6.667 445 HG21 VAL 63 HG21 VAL 63 1.765 -13.538 -4.761 446 HG22 VAL 63 HG22 VAL 63 1.139 -14.919 -5.665 447 HG23 VAL 63 HG23 VAL 63 0.855 -14.798 -3.927 448 H GLN 64 HN GLN 64 -1.036 -10.111 -4.786 449 HA GLN 64 HA GLN 64 -3.921 -10.537 -5.202 450 HB2 GLN 64 HB2 GLN 64 -3.514 -8.935 -3.386 451 HB3 GLN 64 HB1 GLN 64 -2.473 -7.991 -4.435 452 HG2 GLN 64 HG2 GLN 64 -4.371 -7.470 -5.869 453 HG3 GLN 64 HG1 GLN 64 -5.421 -8.438 -4.835 454 HE21 GLN 64 HE21 GLN 64 -5.551 -5.600 -5.521 455 HE22 GLN 64 HE22 GLN 64 -5.516 -4.750 -4.008 456 H LYS 65 HN LYS 65 -4.546 -10.341 -7.279 457 HA LYS 65 HA LYS 65 -2.510 -9.978 -9.251 458 HB2 LYS 65 HB2 LYS 65 -4.293 -11.673 -9.457 459 HB3 LYS 65 HB1 LYS 65 -5.483 -10.388 -9.606 460 HG2 LYS 65 HG2 LYS 65 -4.824 -11.415 -11.761 461 HG3 LYS 65 HG1 LYS 65 -4.539 -9.673 -11.689 462 HD2 LYS 65 HD2 LYS 65 -2.196 -10.033 -11.251 463 HD3 LYS 65 HD1 LYS 65 -2.452 -11.775 -11.151 464 HE2 LYS 65 HE2 LYS 65 -1.481 -11.071 -13.309 465 HE3 LYS 65 HE1 LYS 65 -3.043 -11.865 -13.489 466 HZ1 LYS 65 HZ1 LYS 65 -2.719 -8.907 -13.442 467 HZ2 LYS 65 HZ2 LYS 65 -4.099 -9.798 -13.887 468 HZ3 LYS 65 HZ3 LYS 65 -2.719 -9.827 -14.869 469 H ALA 66 HN ALA 66 -1.970 -8.209 -10.287 470 HA ALA 66 HA ALA 66 -3.686 -5.860 -10.186 471 HB1 ALA 66 HB1 ALA 66 -0.916 -6.214 -11.340 472 HB2 ALA 66 HB2 ALA 66 -1.298 -5.552 -9.750 473 HB3 ALA 66 HB3 ALA 66 -1.791 -4.688 -11.206
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