NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
467394 | 2kn8 | 16452 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 44.218 -3.898 4.671 2 H2 ASP 1 H2 ASP 1 44.426 -2.690 3.494 3 H3 ASP 1 H3 ASP 1 45.334 -4.124 3.414 4 HA ASP 1 HA ASP 1 43.603 -5.365 2.598 5 HB2 ASP 1 HB3 ASP 1 41.222 -4.512 3.092 6 HB3 ASP 1 HB2 ASP 1 42.167 -5.056 4.478 7 H GLN 2 H GLN 2 43.044 -1.824 2.552 8 HA GLN 2 HA GLN 2 43.119 -1.927 -0.431 9 HB2 GLN 2 HB3 GLN 2 40.927 -0.880 1.373 10 HB3 GLN 2 HB2 GLN 2 41.074 -0.368 -0.308 11 HG2 GLN 2 HG3 GLN 2 41.139 -3.300 0.284 12 HG3 GLN 2 HG2 GLN 2 39.584 -2.470 0.350 13 HE21 GLN 2 HE22 GLN 2 38.633 -1.795 -1.642 14 HE22 GLN 2 HE21 GLN 2 39.337 -2.101 -3.155 15 H ASN 3 H ASN 3 43.630 0.174 -1.374 16 HA ASN 3 HA ASN 3 45.585 1.707 -0.017 17 HB2 ASN 3 HB3 ASN 3 45.183 1.564 -2.475 18 HB3 ASN 3 HB2 ASN 3 43.717 2.522 -2.268 19 HD21 ASN 3 HD22 ASN 3 46.691 2.971 -3.415 20 HD22 ASN 3 HD21 ASN 3 47.037 4.533 -2.850 21 H HIS 4 H HIS 4 42.147 1.781 0.277 22 HA HIS 4 HA HIS 4 42.264 4.461 1.616 23 HB2 HIS 4 HB3 HIS 4 40.775 4.017 -0.413 24 HB3 HIS 4 HB2 HIS 4 39.843 2.934 0.622 25 HD1 HIS 4 HD1 HIS 4 41.356 6.253 1.669 26 HD2 HIS 4 HD2 HIS 4 37.601 4.546 1.064 27 HE1 HIS 4 HE1 HIS 4 39.660 7.940 2.502 28 H ILE 5 H ILE 5 40.920 4.653 3.601 29 HA ILE 5 HA ILE 5 41.212 2.293 5.323 30 HB ILE 5 HB ILE 5 40.089 5.062 5.797 31 HG12 ILE 5 HG13 ILE 5 42.822 4.156 6.651 32 HG13 ILE 5 HG12 ILE 5 42.572 4.675 4.983 33 HG21 ILE 5 HG21 ILE 5 41.108 4.259 8.177 34 HG22 ILE 5 HG22 ILE 5 40.593 2.702 7.528 35 HG23 ILE 5 HG23 ILE 5 39.424 4.008 7.719 36 HD11 ILE 5 HD11 ILE 5 42.498 6.844 5.591 37 HD12 ILE 5 HD12 ILE 5 43.027 6.336 7.195 38 HD13 ILE 5 HD13 ILE 5 41.307 6.509 6.847 39 H GLU 6 H GLU 6 39.024 2.924 3.105 40 HA GLU 6 HA GLU 6 36.776 2.282 2.756 41 HB2 GLU 6 HB3 GLU 6 38.067 0.499 4.603 42 HB3 GLU 6 HB2 GLU 6 36.377 0.678 5.075 43 HG2 GLU 6 HG3 GLU 6 37.015 0.277 2.176 44 HG3 GLU 6 HG2 GLU 6 37.084 -1.117 3.255 45 H GLN 7 H GLN 7 34.562 2.322 3.910 46 HA GLN 7 HA GLN 7 34.348 3.812 6.413 47 HB2 GLN 7 HB3 GLN 7 34.756 5.195 3.954 48 HB3 GLN 7 HB2 GLN 7 33.084 5.475 4.439 49 HG2 GLN 7 HG3 GLN 7 33.935 6.074 6.738 50 HG3 GLN 7 HG2 GLN 7 35.573 5.993 6.087 51 HE21 GLN 7 HE22 GLN 7 33.948 8.385 7.083 52 HE22 GLN 7 HE21 GLN 7 33.996 9.493 5.798 53 HA PRO 8 HA PRO 8 30.668 1.358 5.011 54 HB2 PRO 8 HB2 PRO 8 30.483 -0.166 7.276 55 HB3 PRO 8 HB3 PRO 8 31.496 -0.616 5.889 56 HG2 PRO 8 HG3 PRO 8 32.275 0.627 8.476 57 HG3 PRO 8 HG2 PRO 8 33.121 -0.588 7.507 58 HD2 PRO 8 HD3 PRO 8 33.797 2.060 7.552 59 HD3 PRO 8 HD2 PRO 8 34.119 0.980 6.177 60 H PHE 9 H PHE 9 31.533 3.326 7.715 61 HA PHE 9 HA PHE 9 28.749 3.482 8.737 62 HB2 PHE 9 HB3 PHE 9 30.745 3.315 10.232 63 HB3 PHE 9 HB2 PHE 9 31.317 4.858 9.594 64 HD1 PHE 9 HD2 PHE 9 30.018 6.944 9.997 65 HD2 PHE 9 HD1 PHE 9 28.934 3.206 11.814 66 HE1 PHE 9 HE2 PHE 9 28.583 8.149 11.621 67 HE2 PHE 9 HE1 PHE 9 27.500 4.411 13.439 68 HZ PHE 9 HZ PHE 9 27.325 6.883 13.342 69 H TYR 10 H TYR 10 31.018 5.279 6.764 70 HA TYR 10 HA TYR 10 29.777 7.870 6.953 71 HB2 TYR 10 HB3 TYR 10 31.991 7.721 6.142 72 HB3 TYR 10 HB2 TYR 10 31.579 6.444 4.999 73 HD1 TYR 10 HD2 TYR 10 30.717 10.005 5.808 74 HD2 TYR 10 HD1 TYR 10 31.168 7.006 2.766 75 HE1 TYR 10 HE2 TYR 10 30.282 11.711 4.062 76 HE2 TYR 10 HE1 TYR 10 30.734 8.712 1.020 77 HH TYR 10 HH TYR 10 30.571 12.113 1.775 78 H LEU 11 H LEU 11 29.054 4.979 5.101 79 HA LEU 11 HA LEU 11 27.306 6.323 3.179 80 HB2 LEU 11 HB3 LEU 11 28.592 3.826 3.537 81 HB3 LEU 11 HB2 LEU 11 26.862 3.487 3.483 82 HG LEU 11 HG LEU 11 27.906 3.470 1.219 83 HD11 LEU 11 HD11 LEU 11 25.506 4.137 1.623 84 HD12 LEU 11 HD12 LEU 11 26.207 4.824 0.158 85 HD13 LEU 11 HD13 LEU 11 26.031 5.820 1.603 86 HD21 LEU 11 HD21 LEU 11 29.527 5.024 0.903 87 HD22 LEU 11 HD22 LEU 11 28.931 6.028 2.224 88 HD23 LEU 11 HD23 LEU 11 28.209 6.161 0.620 89 H MET 12 H MET 12 26.773 4.088 5.912 90 HA MET 12 HA MET 12 24.022 3.898 6.000 91 HB2 MET 12 HB3 MET 12 26.260 3.720 7.807 92 HB3 MET 12 HB2 MET 12 24.890 4.445 8.649 93 HG2 MET 12 HG3 MET 12 23.468 2.586 8.114 94 HG3 MET 12 HG2 MET 12 24.655 1.923 6.991 95 HE1 MET 12 HE1 MET 12 24.457 -0.636 9.873 96 HE2 MET 12 HE2 MET 12 24.931 -0.568 8.170 97 HE3 MET 12 HE3 MET 12 23.411 0.152 8.694 98 H GLY 13 H GLY 13 25.946 6.761 6.644 99 HA2 GLY 13 HA3 GLY 13 23.764 8.248 7.888 100 HA3 GLY 13 HA2 GLY 13 25.311 8.920 7.368 101 H ARG 14 H ARG 14 25.239 8.089 4.653 102 HA ARG 14 HA ARG 14 23.112 9.923 3.631 103 HB2 ARG 14 HB3 ARG 14 25.633 10.255 3.269 104 HB3 ARG 14 HB2 ARG 14 25.555 8.856 2.198 105 HG2 ARG 14 HG3 ARG 14 23.714 10.040 0.933 106 HG3 ARG 14 HG2 ARG 14 24.058 11.472 1.903 107 HD2 ARG 14 HD3 ARG 14 26.537 11.096 1.119 108 HD3 ARG 14 HD2 ARG 14 25.783 10.148 -0.179 109 HE ARG 14 HE ARG 14 25.424 13.053 0.267 110 HH11 ARG 14 HH22 ARG 14 23.866 10.263 -0.923 111 HH12 ARG 14 HH21 ARG 14 23.344 11.000 -2.401 112 HH21 ARG 14 HH11 ARG 14 25.033 13.973 -1.822 113 HH22 ARG 14 HH12 ARG 14 24.005 13.101 -2.910 114 H ASP 15 H ASP 15 23.358 6.730 4.163 115 HA ASP 15 HA ASP 15 22.508 5.763 1.496 116 HB2 ASP 15 HB3 ASP 15 24.064 4.665 3.318 117 HB3 ASP 15 HB2 ASP 15 22.536 4.163 4.042 118 H LYS 16 H LYS 16 21.058 7.065 4.292 119 HA LYS 16 HA LYS 16 18.726 5.691 4.813 120 HB2 LYS 16 HB3 LYS 16 19.604 8.504 4.701 121 HB3 LYS 16 HB2 LYS 16 17.854 8.295 4.618 122 HG2 LYS 16 HG3 LYS 16 17.857 6.992 6.667 123 HG3 LYS 16 HG2 LYS 16 19.620 7.009 6.719 124 HD2 LYS 16 HD3 LYS 16 18.604 9.707 6.486 125 HD3 LYS 16 HD2 LYS 16 17.872 8.897 7.871 126 HE2 LYS 16 HE3 LYS 16 20.488 8.104 8.121 127 HE3 LYS 16 HE2 LYS 16 20.671 9.745 7.470 128 HZ1 LYS 16 HZ1 LYS 16 18.879 10.379 9.130 129 HZ2 LYS 16 HZ2 LYS 16 20.417 10.048 9.766 130 HZ3 LYS 16 HZ3 LYS 16 19.183 8.885 9.881 131 H ALA 17 H ALA 17 18.126 8.476 2.767 132 HA ALA 17 HA ALA 17 15.936 7.540 1.371 133 HB1 ALA 17 HB1 ALA 17 17.887 9.621 1.165 134 HB2 ALA 17 HB2 ALA 17 16.247 9.601 0.518 135 HB3 ALA 17 HB3 ALA 17 17.586 8.992 -0.455 136 H LEU 18 H LEU 18 19.311 6.717 0.792 137 HA LEU 18 HA LEU 18 18.911 5.458 -1.786 138 HB2 LEU 18 HB3 LEU 18 21.015 6.249 -0.179 139 HB3 LEU 18 HB2 LEU 18 21.101 4.490 -0.073 140 HG LEU 18 HG LEU 18 20.667 5.673 -2.776 141 HD11 LEU 18 HD11 LEU 18 22.442 7.081 -2.436 142 HD12 LEU 18 HD12 LEU 18 23.372 5.611 -2.724 143 HD13 LEU 18 HD13 LEU 18 23.056 6.144 -1.073 144 HD21 LEU 18 HD21 LEU 18 21.966 3.275 -1.522 145 HD22 LEU 18 HD22 LEU 18 22.488 3.785 -3.128 146 HD23 LEU 18 HD23 LEU 18 20.802 3.349 -2.845 147 H ALA 19 H ALA 19 18.581 4.417 1.551 148 HA ALA 19 HA ALA 19 18.553 1.560 0.978 149 HB1 ALA 19 HB1 ALA 19 18.540 3.354 3.206 150 HB2 ALA 19 HB2 ALA 19 18.814 1.612 3.215 151 HB3 ALA 19 HB3 ALA 19 17.179 2.247 3.390 152 H VAL 20 H VAL 20 16.269 4.120 0.648 153 HA VAL 20 HA VAL 20 13.879 2.454 0.957 154 HB VAL 20 HB VAL 20 14.654 5.267 0.494 155 HG11 VAL 20 HG11 VAL 20 13.407 4.999 -1.565 156 HG12 VAL 20 HG12 VAL 20 12.398 5.877 -0.416 157 HG13 VAL 20 HG13 VAL 20 12.105 4.164 -0.718 158 HG21 VAL 20 HG21 VAL 20 13.752 5.075 2.575 159 HG22 VAL 20 HG22 VAL 20 12.813 3.646 2.142 160 HG23 VAL 20 HG23 VAL 20 12.217 5.252 1.724 161 H GLU 21 H GLU 21 15.886 3.692 -1.697 162 HA GLU 21 HA GLU 21 14.127 2.806 -3.827 163 HB2 GLU 21 HB3 GLU 21 16.392 4.386 -3.511 164 HB3 GLU 21 HB2 GLU 21 16.996 2.993 -4.410 165 HG2 GLU 21 HG3 GLU 21 15.480 3.338 -6.193 166 HG3 GLU 21 HG2 GLU 21 14.457 4.402 -5.228 167 H GLN 22 H GLN 22 16.353 1.208 -1.734 168 HA GLN 22 HA GLN 22 16.971 -1.010 -3.552 169 HB2 GLN 22 HB3 GLN 22 18.273 0.023 -1.502 170 HB3 GLN 22 HB2 GLN 22 17.254 -1.064 -0.559 171 HG2 GLN 22 HG3 GLN 22 18.006 -2.912 -2.177 172 HG3 GLN 22 HG2 GLN 22 19.250 -1.781 -2.711 173 HE21 GLN 22 HE22 GLN 22 21.104 -2.748 -1.758 174 HE22 GLN 22 HE21 GLN 22 21.280 -2.987 -0.087 175 H PHE 23 H PHE 23 14.856 -0.451 -0.755 176 HA PHE 23 HA PHE 23 13.779 -3.125 -0.636 177 HB2 PHE 23 HB3 PHE 23 13.318 -0.443 0.519 178 HB3 PHE 23 HB2 PHE 23 11.884 -1.469 0.459 179 HD1 PHE 23 HD1 PHE 23 12.273 -3.981 1.224 180 HD2 PHE 23 HD2 PHE 23 14.772 -0.666 2.331 181 HE1 PHE 23 HE1 PHE 23 13.104 -5.260 3.179 182 HE2 PHE 23 HE2 PHE 23 15.602 -1.946 4.286 183 HZ PHE 23 HZ PHE 23 14.768 -4.242 4.711 184 H ILE 24 H ILE 24 13.039 -0.295 -2.573 185 HA ILE 24 HA ILE 24 10.437 -1.371 -3.471 186 HB ILE 24 HB ILE 24 12.112 1.063 -4.161 187 HG12 ILE 24 HG13 ILE 24 9.464 0.890 -2.703 188 HG13 ILE 24 HG12 ILE 24 11.013 0.840 -1.862 189 HG21 ILE 24 HG21 ILE 24 9.344 0.241 -5.086 190 HG22 ILE 24 HG22 ILE 24 10.765 0.502 -6.098 191 HG23 ILE 24 HG23 ILE 24 10.005 1.865 -5.276 192 HD11 ILE 24 HD11 ILE 24 11.364 3.004 -3.503 193 HD12 ILE 24 HD12 ILE 24 10.819 3.106 -1.828 194 HD13 ILE 24 HD13 ILE 24 9.641 3.118 -3.141 195 H SER 25 H SER 25 13.704 -0.815 -4.796 196 HA SER 25 HA SER 25 13.124 -1.693 -7.472 197 HB2 SER 25 HB3 SER 25 15.076 -0.343 -6.797 198 HB3 SER 25 HB2 SER 25 15.682 -1.687 -5.834 199 HG SER 25 HG SER 25 16.402 -1.311 -8.177 200 H ARG 26 H ARG 26 13.896 -3.394 -4.496 201 HA ARG 26 HA ARG 26 14.488 -5.941 -5.827 202 HB2 ARG 26 HB3 ARG 26 14.748 -4.707 -3.258 203 HB3 ARG 26 HB2 ARG 26 13.840 -6.205 -3.050 204 HG2 ARG 26 HG3 ARG 26 16.195 -6.364 -4.846 205 HG3 ARG 26 HG2 ARG 26 16.548 -6.117 -3.136 206 HD2 ARG 26 HD3 ARG 26 14.833 -8.055 -2.744 207 HD3 ARG 26 HD2 ARG 26 15.141 -8.435 -4.451 208 HE ARG 26 HE ARG 26 17.291 -9.167 -3.815 209 HH11 ARG 26 HH22 ARG 26 15.823 -8.689 -0.961 210 HH12 ARG 26 HH21 ARG 26 17.199 -8.100 -0.089 211 HH21 ARG 26 HH11 ARG 26 19.148 -7.675 -2.925 212 HH22 ARG 26 HH12 ARG 26 19.081 -7.526 -1.201 213 H PHE 27 H PHE 27 11.686 -4.317 -4.485 214 HA PHE 27 HA PHE 27 10.047 -6.771 -4.446 215 HB2 PHE 27 HB3 PHE 27 10.077 -4.233 -3.205 216 HB3 PHE 27 HB2 PHE 27 8.610 -4.271 -4.195 217 HD1 PHE 27 HD1 PHE 27 10.417 -5.784 -1.407 218 HD2 PHE 27 HD2 PHE 27 6.869 -5.869 -3.783 219 HE1 PHE 27 HE1 PHE 27 9.332 -7.247 0.291 220 HE2 PHE 27 HE2 PHE 27 5.760 -7.334 -2.102 221 HZ PHE 27 HZ PHE 27 6.998 -8.021 -0.061 222 H ASN 28 H ASN 28 10.931 -4.349 -6.710 223 HA ASN 28 HA ASN 28 8.744 -3.824 -8.308 224 HB2 ASN 28 HB3 ASN 28 11.630 -4.444 -8.782 225 HB3 ASN 28 HB2 ASN 28 10.581 -4.312 -10.194 226 HD21 ASN 28 HD22 ASN 28 12.570 -2.364 -9.856 227 HD22 ASN 28 HD21 ASN 28 11.857 -0.888 -9.417 228 H SER 29 H SER 29 10.787 -6.302 -9.717 229 HA SER 29 HA SER 29 8.848 -7.732 -11.083 230 HB2 SER 29 HB3 SER 29 10.486 -9.547 -11.056 231 HB3 SER 29 HB2 SER 29 11.336 -8.008 -11.151 232 HG SER 29 HG SER 29 12.023 -8.249 -9.139 233 H GLY 30 H GLY 30 9.485 -7.783 -7.638 234 HA2 GLY 30 HA3 GLY 30 8.121 -10.249 -7.048 235 HA3 GLY 30 HA2 GLY 30 8.454 -8.962 -5.888 236 H TYR 31 H TYR 31 7.091 -6.952 -7.510 237 HA TYR 31 HA TYR 31 4.461 -7.129 -6.406 238 HB2 TYR 31 HB3 TYR 31 5.380 -5.000 -6.962 239 HB3 TYR 31 HB2 TYR 31 5.770 -5.514 -8.603 240 HD1 TYR 31 HD1 TYR 31 3.919 -5.945 -10.247 241 HD2 TYR 31 HD2 TYR 31 3.208 -4.172 -6.400 242 HE1 TYR 31 HE1 TYR 31 1.705 -5.142 -11.026 243 HE2 TYR 31 HE2 TYR 31 0.995 -3.369 -7.179 244 HH TYR 31 HH TYR 31 -0.118 -3.996 -10.511 245 H ILE 32 H ILE 32 5.835 -8.779 -9.051 246 HA ILE 32 HA ILE 32 3.312 -8.989 -10.585 247 HB ILE 32 HB ILE 32 6.156 -9.966 -10.858 248 HG12 ILE 32 HG13 ILE 32 5.361 -8.708 -13.183 249 HG13 ILE 32 HG12 ILE 32 4.467 -7.819 -11.949 250 HG21 ILE 32 HG21 ILE 32 5.229 -10.785 -13.172 251 HG22 ILE 32 HG22 ILE 32 3.685 -10.859 -12.323 252 HG23 ILE 32 HG23 ILE 32 5.049 -11.823 -11.758 253 HD11 ILE 32 HD11 ILE 32 6.407 -6.645 -11.727 254 HD12 ILE 32 HD12 ILE 32 7.376 -7.923 -12.460 255 HD13 ILE 32 HD13 ILE 32 6.917 -8.029 -10.761 256 H LYS 33 H LYS 33 5.254 -10.853 -8.319 257 HA LYS 33 HA LYS 33 3.695 -13.321 -8.729 258 HB2 LYS 33 HB3 LYS 33 6.219 -12.933 -8.087 259 HB3 LYS 33 HB2 LYS 33 5.580 -12.766 -6.451 260 HG2 LYS 33 HG3 LYS 33 5.231 -14.988 -6.264 261 HG3 LYS 33 HG2 LYS 33 4.432 -15.062 -7.835 262 HD2 LYS 33 HD3 LYS 33 6.716 -14.959 -8.907 263 HD3 LYS 33 HD2 LYS 33 7.412 -15.133 -7.295 264 HE2 LYS 33 HE3 LYS 33 7.142 -17.316 -8.600 265 HE3 LYS 33 HE2 LYS 33 6.366 -17.303 -7.004 266 HZ1 LYS 33 HZ1 LYS 33 4.286 -16.930 -7.918 267 HZ2 LYS 33 HZ2 LYS 33 4.969 -18.018 -9.025 268 HZ3 LYS 33 HZ3 LYS 33 4.911 -16.360 -9.391 269 H ALA 34 H ALA 34 3.418 -10.445 -6.890 270 HA ALA 34 HA ALA 34 1.740 -11.750 -4.796 271 HB1 ALA 34 HB1 ALA 34 3.574 -10.170 -4.194 272 HB2 ALA 34 HB2 ALA 34 1.995 -9.578 -3.674 273 HB3 ALA 34 HB3 ALA 34 2.758 -8.907 -5.116 274 H SER 35 H SER 35 1.500 -9.922 -7.723 275 HA SER 35 HA SER 35 -0.757 -8.347 -7.517 276 HB2 SER 35 HB3 SER 35 0.429 -10.138 -9.571 277 HB3 SER 35 HB2 SER 35 -1.219 -9.595 -9.878 278 HG SER 35 HG SER 35 0.617 -8.217 -10.612 279 H GLN 36 H GLN 36 -0.741 -11.888 -7.905 280 HA GLN 36 HA GLN 36 -3.595 -12.226 -7.874 281 HB2 GLN 36 HB3 GLN 36 -1.689 -13.833 -8.561 282 HB3 GLN 36 HB2 GLN 36 -1.540 -14.189 -6.841 283 HG2 GLN 36 HG3 GLN 36 -3.884 -14.889 -6.753 284 HG3 GLN 36 HG2 GLN 36 -4.093 -14.468 -8.453 285 HE21 GLN 36 HE22 GLN 36 -1.039 -15.882 -7.473 286 HE22 GLN 36 HE21 GLN 36 -1.307 -17.412 -8.156 287 H GLU 37 H GLU 37 -1.137 -12.514 -5.321 288 HA GLU 37 HA GLU 37 -2.886 -13.113 -3.155 289 HB2 GLU 37 HB3 GLU 37 -0.215 -11.698 -3.386 290 HB3 GLU 37 HB2 GLU 37 -0.934 -12.129 -1.835 291 HG2 GLU 37 HG3 GLU 37 -0.594 -14.381 -2.141 292 HG3 GLU 37 HG2 GLU 37 -0.787 -14.277 -3.892 293 H LEU 38 H LEU 38 -2.195 -10.111 -4.821 294 HA LEU 38 HA LEU 38 -3.095 -8.295 -2.764 295 HB2 LEU 38 HB3 LEU 38 -2.419 -8.290 -5.655 296 HB3 LEU 38 HB2 LEU 38 -3.483 -6.989 -5.119 297 HG LEU 38 HG LEU 38 -1.164 -7.532 -3.360 298 HD11 LEU 38 HD11 LEU 38 -0.879 -6.485 -6.184 299 HD12 LEU 38 HD12 LEU 38 0.020 -7.796 -5.420 300 HD13 LEU 38 HD13 LEU 38 0.295 -6.127 -4.918 301 HD21 LEU 38 HD21 LEU 38 -1.113 -4.948 -3.632 302 HD22 LEU 38 HD22 LEU 38 -2.489 -5.660 -2.790 303 HD23 LEU 38 HD23 LEU 38 -2.651 -5.152 -4.471 304 H VAL 39 H VAL 39 -4.722 -10.175 -5.255 305 HA VAL 39 HA VAL 39 -7.257 -8.750 -5.088 306 HB VAL 39 HB VAL 39 -6.278 -11.368 -6.232 307 HG11 VAL 39 HG11 VAL 39 -8.998 -10.617 -5.578 308 HG12 VAL 39 HG12 VAL 39 -8.399 -12.126 -6.267 309 HG13 VAL 39 HG13 VAL 39 -8.805 -10.775 -7.324 310 HG21 VAL 39 HG21 VAL 39 -5.577 -9.545 -7.563 311 HG22 VAL 39 HG22 VAL 39 -7.083 -8.664 -7.303 312 HG23 VAL 39 HG23 VAL 39 -7.061 -10.084 -8.349 313 H SER 40 H SER 40 -5.753 -11.412 -3.371 314 HA SER 40 HA SER 40 -8.232 -12.414 -2.187 315 HB2 SER 40 HB3 SER 40 -5.759 -13.413 -2.636 316 HB3 SER 40 HB2 SER 40 -5.566 -12.913 -0.958 317 HG SER 40 HG SER 40 -6.402 -15.080 -1.269 318 H TYR 41 H TYR 41 -5.859 -9.962 -1.415 319 HA TYR 41 HA TYR 41 -6.614 -9.753 1.413 320 HB2 TYR 41 HB3 TYR 41 -4.369 -9.217 0.811 321 HB3 TYR 41 HB2 TYR 41 -4.894 -8.196 -0.528 322 HD1 TYR 41 HD2 TYR 41 -6.118 -6.038 -0.032 323 HD2 TYR 41 HD1 TYR 41 -4.164 -8.347 3.018 324 HE1 TYR 41 HE2 TYR 41 -6.146 -4.069 1.476 325 HE2 TYR 41 HE1 TYR 41 -4.192 -6.378 4.527 326 HH TYR 41 HH TYR 41 -5.955 -4.076 4.508 327 H THR 42 H THR 42 -7.651 -8.378 -1.626 328 HA THR 42 HA THR 42 -9.038 -6.103 -0.359 329 HB THR 42 HB THR 42 -9.397 -7.035 -3.193 330 HG1 THR 42 HG1 THR 42 -7.301 -7.084 -3.325 331 HG21 THR 42 HG21 THR 42 -9.517 -4.507 -1.636 332 HG22 THR 42 HG22 THR 42 -10.512 -5.045 -2.989 333 HG23 THR 42 HG23 THR 42 -8.902 -4.389 -3.285 334 H ILE 43 H ILE 43 -9.763 -9.342 -1.501 335 HA ILE 43 HA ILE 43 -12.546 -9.228 -1.898 336 HB ILE 43 HB ILE 43 -10.663 -11.297 -0.761 337 HG12 ILE 43 HG13 ILE 43 -12.196 -11.398 -3.353 338 HG13 ILE 43 HG12 ILE 43 -10.707 -10.459 -3.234 339 HG21 ILE 43 HG21 ILE 43 -12.454 -12.432 0.014 340 HG22 ILE 43 HG22 ILE 43 -12.956 -12.620 -1.666 341 HG23 ILE 43 HG23 ILE 43 -13.574 -11.276 -0.706 342 HD11 ILE 43 HD11 ILE 43 -9.619 -12.392 -3.665 343 HD12 ILE 43 HD12 ILE 43 -11.065 -13.358 -3.372 344 HD13 ILE 43 HD13 ILE 43 -10.044 -12.868 -2.021 345 H LYS 44 H LYS 44 -10.705 -9.173 1.101 346 HA LYS 44 HA LYS 44 -13.243 -9.245 2.681 347 HB2 LYS 44 HB3 LYS 44 -10.323 -9.747 3.244 348 HB3 LYS 44 HB2 LYS 44 -11.484 -9.540 4.555 349 HG2 LYS 44 HG3 LYS 44 -12.151 -11.675 4.321 350 HG3 LYS 44 HG2 LYS 44 -12.603 -11.356 2.646 351 HD2 LYS 44 HD3 LYS 44 -10.885 -12.633 1.960 352 HD3 LYS 44 HD2 LYS 44 -9.765 -11.505 2.727 353 HE2 LYS 44 HE3 LYS 44 -11.174 -13.721 4.251 354 HE3 LYS 44 HE2 LYS 44 -9.547 -13.889 3.561 355 HZ1 LYS 44 HZ1 LYS 44 -10.413 -11.744 5.428 356 HZ2 LYS 44 HZ2 LYS 44 -8.861 -11.914 4.765 357 HZ3 LYS 44 HZ3 LYS 44 -9.453 -13.081 5.850 358 H LEU 45 H LEU 45 -11.980 -6.917 1.142 359 HA LEU 45 HA LEU 45 -12.346 -4.911 3.274 360 HB2 LEU 45 HB3 LEU 45 -9.904 -5.840 3.155 361 HB3 LEU 45 HB2 LEU 45 -9.784 -4.870 1.686 362 HG LEU 45 HG LEU 45 -9.012 -3.500 3.514 363 HD11 LEU 45 HD11 LEU 45 -10.372 -1.619 3.182 364 HD12 LEU 45 HD12 LEU 45 -11.853 -2.576 3.147 365 HD13 LEU 45 HD13 LEU 45 -10.749 -2.609 1.772 366 HD21 LEU 45 HD21 LEU 45 -11.504 -3.399 5.039 367 HD22 LEU 45 HD22 LEU 45 -9.853 -3.642 5.611 368 HD23 LEU 45 HD23 LEU 45 -10.797 -5.014 5.029 369 H SER 46 H SER 46 -13.678 -3.458 2.280 370 HA SER 46 HA SER 46 -14.574 -2.030 0.625 371 HB2 SER 46 HB3 SER 46 -12.219 -1.233 0.792 372 HB3 SER 46 HB2 SER 46 -11.764 -2.374 -0.468 373 HG SER 46 HG SER 46 -13.900 -0.622 -0.928 374 H HIS 47 H HIS 47 -14.940 -4.893 0.282 375 HA HIS 47 HA HIS 47 -14.867 -5.125 -2.706 376 HB2 HIS 47 HB3 HIS 47 -14.023 -6.814 -0.558 377 HB3 HIS 47 HB2 HIS 47 -15.356 -7.615 -1.388 378 HD1 HIS 47 HD1 HIS 47 -12.075 -5.873 -2.265 379 HD2 HIS 47 HD2 HIS 47 -14.589 -8.854 -3.740 380 HE1 HIS 47 HE1 HIS 47 -10.909 -6.859 -4.286 381 H ASP 48 H ASP 48 -16.908 -3.984 -0.684 382 HA ASP 48 HA ASP 48 -19.268 -5.544 -1.691 383 HB2 ASP 48 HB3 ASP 48 -18.521 -5.651 0.798 384 HB3 ASP 48 HB2 ASP 48 -19.170 -4.016 0.899 385 HA PRO 49 HA PRO 49 -19.370 -0.886 -2.578 386 HB2 PRO 49 HB2 PRO 49 -18.898 -0.992 -5.272 387 HB3 PRO 49 HB3 PRO 49 -17.604 -0.807 -4.071 388 HG2 PRO 49 HG3 PRO 49 -18.495 -3.242 -5.534 389 HG3 PRO 49 HG2 PRO 49 -16.859 -2.718 -5.106 390 HD2 PRO 49 HD3 PRO 49 -18.224 -4.639 -3.733 391 HD3 PRO 49 HD2 PRO 49 -16.989 -3.599 -2.993 392 H ILE 50 H ILE 50 -20.490 -3.697 -4.418 393 HA ILE 50 HA ILE 50 -22.735 -2.416 -5.684 394 HB ILE 50 HB ILE 50 -21.960 -5.250 -4.989 395 HG12 ILE 50 HG13 ILE 50 -20.666 -4.134 -6.750 396 HG13 ILE 50 HG12 ILE 50 -21.687 -5.384 -7.460 397 HG21 ILE 50 HG21 ILE 50 -24.564 -4.201 -5.860 398 HG22 ILE 50 HG22 ILE 50 -24.154 -5.784 -5.201 399 HG23 ILE 50 HG23 ILE 50 -23.921 -5.457 -6.918 400 HD11 ILE 50 HD11 ILE 50 -23.276 -3.059 -7.395 401 HD12 ILE 50 HD12 ILE 50 -22.557 -3.813 -8.818 402 HD13 ILE 50 HD13 ILE 50 -21.691 -2.535 -7.964 403 H GLU 51 H GLU 51 -22.402 -4.280 -2.672 404 HA GLU 51 HA GLU 51 -25.227 -4.061 -1.981 405 HB2 GLU 51 HB3 GLU 51 -22.843 -5.406 -1.118 406 HB3 GLU 51 HB2 GLU 51 -23.558 -4.595 0.276 407 HG2 GLU 51 HG3 GLU 51 -25.611 -5.744 0.040 408 HG3 GLU 51 HG2 GLU 51 -25.245 -6.234 -1.614 409 H TYR 52 H TYR 52 -22.401 -2.076 -1.575 410 HA TYR 52 HA TYR 52 -23.585 -0.493 0.625 411 HB2 TYR 52 HB3 TYR 52 -20.988 -0.827 -0.765 412 HB3 TYR 52 HB2 TYR 52 -21.321 0.802 -0.175 413 HD1 TYR 52 HD2 TYR 52 -22.023 -2.666 1.094 414 HD2 TYR 52 HD1 TYR 52 -20.349 1.207 1.898 415 HE1 TYR 52 HE2 TYR 52 -21.466 -3.386 3.401 416 HE2 TYR 52 HE1 TYR 52 -19.792 0.488 4.205 417 HH TYR 52 HH TYR 52 -19.394 -1.592 5.435 418 H LEU 53 H LEU 53 -23.244 -0.376 -2.861 419 HA LEU 53 HA LEU 53 -23.650 2.453 -3.218 420 HB2 LEU 53 HB3 LEU 53 -22.846 0.497 -4.796 421 HB3 LEU 53 HB2 LEU 53 -24.565 0.357 -5.166 422 HG LEU 53 HG LEU 53 -24.086 3.099 -5.275 423 HD11 LEU 53 HD11 LEU 53 -22.087 3.492 -6.419 424 HD12 LEU 53 HD12 LEU 53 -21.940 1.814 -6.941 425 HD13 LEU 53 HD13 LEU 53 -21.598 2.250 -5.266 426 HD21 LEU 53 HD21 LEU 53 -25.518 2.205 -6.882 427 HD22 LEU 53 HD22 LEU 53 -24.419 0.882 -7.272 428 HD23 LEU 53 HD23 LEU 53 -24.078 2.512 -7.853 429 H LEU 54 H LEU 54 -25.881 -0.325 -3.256 430 HA LEU 54 HA LEU 54 -28.254 1.261 -3.739 431 HB2 LEU 54 HB3 LEU 54 -28.013 -1.150 -4.248 432 HB3 LEU 54 HB2 LEU 54 -27.850 -1.494 -2.525 433 HG LEU 54 HG LEU 54 -30.173 0.019 -2.653 434 HD11 LEU 54 HD11 LEU 54 -29.700 -1.347 -5.212 435 HD12 LEU 54 HD12 LEU 54 -30.862 -0.082 -4.812 436 HD13 LEU 54 HD13 LEU 54 -31.241 -1.769 -4.466 437 HD21 LEU 54 HD21 LEU 54 -30.764 -1.752 -1.392 438 HD22 LEU 54 HD22 LEU 54 -29.319 -2.609 -1.932 439 HD23 LEU 54 HD23 LEU 54 -30.826 -2.766 -2.834 440 H GLU 55 H GLU 55 -26.471 0.298 -0.871 441 HA GLU 55 HA GLU 55 -28.592 0.985 1.017 442 HB2 GLU 55 HB3 GLU 55 -26.382 -0.560 1.087 443 HB3 GLU 55 HB2 GLU 55 -25.712 0.913 1.787 444 HG2 GLU 55 HG3 GLU 55 -26.638 0.325 3.752 445 HG3 GLU 55 HG2 GLU 55 -28.223 0.568 3.017 446 H GLN 56 H GLN 56 -25.999 2.676 -0.615 447 HA GLN 56 HA GLN 56 -25.932 4.951 1.219 448 HB2 GLN 56 HB3 GLN 56 -24.045 4.146 -0.222 449 HB3 GLN 56 HB2 GLN 56 -24.965 4.643 -1.643 450 HG2 GLN 56 HG3 GLN 56 -23.884 6.626 -1.380 451 HG3 GLN 56 HG2 GLN 56 -25.074 6.910 -0.110 452 HE21 GLN 56 HE22 GLN 56 -22.125 4.825 -0.243 453 HE22 GLN 56 HE21 GLN 56 -21.433 5.468 1.167 454 H ILE 57 H ILE 57 -27.760 4.031 -1.629 455 HA ILE 57 HA ILE 57 -28.791 6.771 -2.033 456 HB ILE 57 HB ILE 57 -28.297 4.477 -3.590 457 HG12 ILE 57 HG13 ILE 57 -29.383 6.003 -5.390 458 HG13 ILE 57 HG12 ILE 57 -29.580 7.160 -4.074 459 HG21 ILE 57 HG21 ILE 57 -30.432 3.503 -3.109 460 HG22 ILE 57 HG22 ILE 57 -30.561 4.226 -4.713 461 HG23 ILE 57 HG23 ILE 57 -31.251 5.050 -3.315 462 HD11 ILE 57 HD11 ILE 57 -27.130 6.952 -3.593 463 HD12 ILE 57 HD12 ILE 57 -27.469 7.612 -5.193 464 HD13 ILE 57 HD13 ILE 57 -26.977 5.927 -5.020 465 H GLN 58 H GLN 58 -29.771 3.714 -0.610 466 HA GLN 58 HA GLN 58 -32.589 4.453 -0.330 467 HB2 GLN 58 HB3 GLN 58 -31.029 2.150 -0.251 468 HB3 GLN 58 HB2 GLN 58 -31.514 2.372 1.431 469 HG2 GLN 58 HG3 GLN 58 -33.597 1.668 0.966 470 HG3 GLN 58 HG2 GLN 58 -33.764 2.898 -0.287 471 HE21 GLN 58 HE22 GLN 58 -32.448 -0.400 0.263 472 HE22 GLN 58 HE21 GLN 58 -32.599 -0.895 -1.354 473 H ASN 59 H ASN 59 -29.649 4.831 1.530 474 HA ASN 59 HA ASN 59 -31.047 5.450 4.044 475 HB2 ASN 59 HB3 ASN 59 -28.607 4.457 3.377 476 HB3 ASN 59 HB2 ASN 59 -28.195 6.155 3.612 477 HD21 ASN 59 HD22 ASN 59 -27.357 6.323 5.704 478 HD22 ASN 59 HD21 ASN 59 -28.068 5.645 7.088 479 H LEU 60 H LEU 60 -29.526 7.188 1.372 480 HA LEU 60 HA LEU 60 -29.445 9.789 2.583 481 HB2 LEU 60 HB3 LEU 60 -28.621 8.591 0.255 482 HB3 LEU 60 HB2 LEU 60 -29.950 9.596 -0.322 483 HG LEU 60 HG LEU 60 -28.380 11.102 1.559 484 HD11 LEU 60 HD11 LEU 60 -26.218 10.833 0.896 485 HD12 LEU 60 HD12 LEU 60 -26.668 10.580 -0.791 486 HD13 LEU 60 HD13 LEU 60 -26.765 9.245 0.358 487 HD21 LEU 60 HD21 LEU 60 -28.016 11.995 -1.122 488 HD22 LEU 60 HD22 LEU 60 -29.126 12.637 0.089 489 HD23 LEU 60 HD23 LEU 60 -29.655 11.355 -1.001 490 H HIS 61 H HIS 61 -31.994 7.974 0.967 491 HA HIS 61 HA HIS 61 -33.797 10.271 0.721 492 HB2 HIS 61 HB3 HIS 61 -33.512 7.758 -0.410 493 HB3 HIS 61 HB2 HIS 61 -34.923 7.558 0.629 494 HD1 HIS 61 HD1 HIS 61 -33.913 8.886 -2.610 495 HD2 HIS 61 HD2 HIS 61 -36.978 9.667 0.107 496 HE1 HIS 61 HE1 HIS 61 -35.678 10.189 -3.875 497 H ARG 62 H ARG 62 -33.143 7.750 3.071 498 HA ARG 62 HA ARG 62 -35.622 8.296 4.590 499 HB2 ARG 62 HB3 ARG 62 -33.918 6.132 4.186 500 HB3 ARG 62 HB2 ARG 62 -33.544 6.649 5.831 501 HG2 ARG 62 HG3 ARG 62 -36.323 6.792 5.708 502 HG3 ARG 62 HG2 ARG 62 -35.935 5.323 4.811 503 HD2 ARG 62 HD3 ARG 62 -34.402 4.702 6.780 504 HD3 ARG 62 HD2 ARG 62 -35.225 5.995 7.676 505 HE ARG 62 HE ARG 62 -37.269 4.501 6.477 506 HH11 ARG 62 HH22 ARG 62 -34.909 4.316 8.961 507 HH12 ARG 62 HH21 ARG 62 -35.589 2.902 9.695 508 HH21 ARG 62 HH11 ARG 62 -38.058 2.517 7.292 509 HH22 ARG 62 HH12 ARG 62 -37.371 1.883 8.750 510 H VAL 63 H VAL 63 -32.227 9.167 4.625 511 HA VAL 63 HA VAL 63 -32.194 10.112 7.388 512 HB VAL 63 HB VAL 63 -30.408 10.338 4.963 513 HG11 VAL 63 HG11 VAL 63 -28.758 11.204 6.839 514 HG12 VAL 63 HG12 VAL 63 -30.250 11.748 7.605 515 HG13 VAL 63 HG13 VAL 63 -29.819 12.335 5.999 516 HG21 VAL 63 HG21 VAL 63 -29.292 9.207 7.390 517 HG22 VAL 63 HG22 VAL 63 -29.470 8.464 5.801 518 HG23 VAL 63 HG23 VAL 63 -30.797 8.393 6.961 519 H THR 64 H THR 64 -33.308 11.382 4.384 520 HA THR 64 HA THR 64 -32.919 14.206 4.981 521 HB THR 64 HB THR 64 -34.534 12.580 3.013 522 HG1 THR 64 HG1 THR 64 -32.962 14.088 1.745 523 HG21 THR 64 HG21 THR 64 -34.667 15.034 1.946 524 HG22 THR 64 HG22 THR 64 -34.672 15.486 3.650 525 HG23 THR 64 HG23 THR 64 -35.921 14.414 3.019 526 H LEU 65 H LEU 65 -35.079 11.835 6.136 527 HA LEU 65 HA LEU 65 -37.326 13.698 6.606 528 HB2 LEU 65 HB3 LEU 65 -36.994 10.960 6.221 529 HB3 LEU 65 HB2 LEU 65 -37.357 11.093 7.942 530 HG LEU 65 HG LEU 65 -39.189 12.823 6.940 531 HD11 LEU 65 HD11 LEU 65 -39.977 10.961 5.001 532 HD12 LEU 65 HD12 LEU 65 -38.255 11.205 4.709 533 HD13 LEU 65 HD13 LEU 65 -39.354 12.584 4.702 534 HD21 LEU 65 HD21 LEU 65 -40.138 10.056 6.757 535 HD22 LEU 65 HD22 LEU 65 -40.606 11.328 7.885 536 HD23 LEU 65 HD23 LEU 65 -39.174 10.349 8.203 537 H ALA 66 H ALA 66 -34.569 12.372 8.313 538 HA ALA 66 HA ALA 66 -33.888 12.586 10.579 539 HB1 ALA 66 HB1 ALA 66 -35.224 15.274 10.143 540 HB2 ALA 66 HB2 ALA 66 -33.661 14.841 9.450 541 HB3 ALA 66 HB3 ALA 66 -33.856 14.927 11.201 542 H GLU 67 H GLU 67 -35.315 11.106 11.657 543 HA GLU 67 HA GLU 67 -37.566 12.436 13.113 544 HB2 GLU 67 HB3 GLU 67 -39.004 10.572 12.579 545 HB3 GLU 67 HB2 GLU 67 -38.275 11.108 11.065 546 HG2 GLU 67 HG3 GLU 67 -36.637 9.327 11.148 547 HG3 GLU 67 HG2 GLU 67 -37.167 8.857 12.764 548 H GLY 68 H GLY 68 -34.827 11.725 13.970 549 HA2 GLY 68 HA3 GLY 68 -35.363 9.449 15.820 550 HA3 GLY 68 HA2 GLY 68 -33.760 10.062 15.412 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 39.553 -6.814 -17.340 2 H2 ASP 1 H2 ASP 1 41.121 -6.316 -17.765 3 H3 ASP 1 H3 ASP 1 39.768 -5.548 -18.447 4 HA ASP 1 HA ASP 1 40.782 -4.180 -16.694 5 HB2 ASP 1 HB3 ASP 1 38.247 -4.517 -17.352 6 HB3 ASP 1 HB2 ASP 1 38.131 -5.221 -15.738 7 H GLN 2 H GLN 2 40.768 -7.453 -16.061 8 HA GLN 2 HA GLN 2 41.669 -8.673 -14.202 9 HB2 GLN 2 HB3 GLN 2 42.916 -6.313 -14.162 10 HB3 GLN 2 HB2 GLN 2 41.951 -6.092 -12.702 11 HG2 GLN 2 HG3 GLN 2 42.887 -8.650 -12.361 12 HG3 GLN 2 HG2 GLN 2 44.244 -7.879 -13.183 13 HE21 GLN 2 HE22 GLN 2 44.171 -8.697 -10.335 14 HE22 GLN 2 HE21 GLN 2 44.391 -7.281 -9.427 15 H ASN 3 H ASN 3 41.323 -7.917 -11.452 16 HA ASN 3 HA ASN 3 38.477 -8.607 -11.123 17 HB2 ASN 3 HB3 ASN 3 40.846 -8.243 -9.266 18 HB3 ASN 3 HB2 ASN 3 39.244 -8.720 -8.702 19 HD21 ASN 3 HD22 ASN 3 38.362 -10.574 -10.489 20 HD22 ASN 3 HD21 ASN 3 39.444 -11.874 -10.628 21 H HIS 4 H HIS 4 39.680 -5.782 -11.890 22 HA HIS 4 HA HIS 4 39.039 -3.543 -11.489 23 HB2 HIS 4 HB3 HIS 4 36.858 -5.326 -10.925 24 HB3 HIS 4 HB2 HIS 4 36.790 -3.968 -9.802 25 HD1 HIS 4 HD1 HIS 4 37.245 -4.531 -13.553 26 HD2 HIS 4 HD2 HIS 4 35.657 -1.712 -10.924 27 HE1 HIS 4 HE1 HIS 4 36.175 -2.738 -14.986 28 H ILE 5 H ILE 5 40.237 -2.328 -10.100 29 HA ILE 5 HA ILE 5 40.334 -3.117 -7.215 30 HB ILE 5 HB ILE 5 42.208 -1.468 -8.924 31 HG12 ILE 5 HG13 ILE 5 42.354 -4.349 -7.977 32 HG13 ILE 5 HG12 ILE 5 42.195 -3.799 -9.646 33 HG21 ILE 5 HG21 ILE 5 43.634 -2.392 -6.759 34 HG22 ILE 5 HG22 ILE 5 42.054 -2.071 -6.044 35 HG23 ILE 5 HG23 ILE 5 42.923 -0.783 -6.877 36 HD11 ILE 5 HD11 ILE 5 44.513 -2.894 -7.949 37 HD12 ILE 5 HD12 ILE 5 44.389 -2.950 -9.707 38 HD13 ILE 5 HD13 ILE 5 44.564 -4.445 -8.787 39 H GLU 6 H GLU 6 38.609 -1.155 -9.011 40 HA GLU 6 HA GLU 6 39.014 1.419 -7.662 41 HB2 GLU 6 HB3 GLU 6 37.666 0.319 -9.973 42 HB3 GLU 6 HB2 GLU 6 36.553 1.331 -9.052 43 HG2 GLU 6 HG3 GLU 6 38.221 3.160 -9.060 44 HG3 GLU 6 HG2 GLU 6 39.311 2.150 -10.011 45 H GLN 7 H GLN 7 36.919 2.450 -6.726 46 HA GLN 7 HA GLN 7 35.293 0.457 -5.204 47 HB2 GLN 7 HB3 GLN 7 36.689 2.885 -4.035 48 HB3 GLN 7 HB2 GLN 7 35.777 1.667 -3.143 49 HG2 GLN 7 HG3 GLN 7 37.397 -0.061 -3.855 50 HG3 GLN 7 HG2 GLN 7 38.320 1.171 -4.718 51 HE21 GLN 7 HE22 GLN 7 38.049 -0.413 -1.724 52 HE22 GLN 7 HE21 GLN 7 38.942 0.684 -0.785 53 HA PRO 8 HA PRO 8 32.866 4.008 -6.981 54 HB2 PRO 8 HB2 PRO 8 31.024 2.463 -8.290 55 HB3 PRO 8 HB3 PRO 8 32.558 2.969 -9.026 56 HG2 PRO 8 HG3 PRO 8 31.813 0.359 -7.810 57 HG3 PRO 8 HG2 PRO 8 32.806 0.698 -9.236 58 HD2 PRO 8 HD3 PRO 8 33.836 0.037 -6.792 59 HD3 PRO 8 HD2 PRO 8 34.702 1.014 -7.999 60 H PHE 9 H PHE 9 32.246 1.184 -5.085 61 HA PHE 9 HA PHE 9 29.505 1.960 -4.333 62 HB2 PHE 9 HB3 PHE 9 30.022 -0.378 -4.511 63 HB3 PHE 9 HB2 PHE 9 31.465 -0.198 -3.512 64 HD1 PHE 9 HD1 PHE 9 27.848 0.788 -3.226 65 HD2 PHE 9 HD2 PHE 9 31.243 -1.086 -1.378 66 HE1 PHE 9 HE1 PHE 9 26.498 0.349 -1.192 67 HE2 PHE 9 HE2 PHE 9 29.893 -1.525 0.656 68 HZ PHE 9 HZ PHE 9 27.521 -0.807 0.749 69 H TYR 10 H TYR 10 32.775 2.340 -3.122 70 HA TYR 10 HA TYR 10 32.263 2.894 -0.383 71 HB2 TYR 10 HB3 TYR 10 34.488 2.590 -1.117 72 HB3 TYR 10 HB2 TYR 10 34.316 3.778 -2.410 73 HD1 TYR 10 HD2 TYR 10 34.159 6.215 -1.855 74 HD2 TYR 10 HD1 TYR 10 35.055 3.247 1.118 75 HE1 TYR 10 HE2 TYR 10 34.991 7.989 -0.334 76 HE2 TYR 10 HE1 TYR 10 35.887 5.020 2.638 77 HH TYR 10 HH TYR 10 36.108 7.211 2.957 78 H LEU 11 H LEU 11 32.378 5.126 -3.182 79 HA LEU 11 HA LEU 11 31.861 7.550 -1.828 80 HB2 LEU 11 HB3 LEU 11 32.030 6.534 -4.463 81 HB3 LEU 11 HB2 LEU 11 30.491 7.390 -4.366 82 HG LEU 11 HG LEU 11 32.496 8.934 -3.010 83 HD11 LEU 11 HD11 LEU 11 33.927 7.521 -4.661 84 HD12 LEU 11 HD12 LEU 11 34.147 9.270 -4.655 85 HD13 LEU 11 HD13 LEU 11 33.177 8.508 -5.915 86 HD21 LEU 11 HD21 LEU 11 31.869 10.362 -5.218 87 HD22 LEU 11 HD22 LEU 11 30.782 10.222 -3.836 88 HD23 LEU 11 HD23 LEU 11 30.551 9.190 -5.248 89 H MET 12 H MET 12 29.520 5.317 -3.331 90 HA MET 12 HA MET 12 27.154 6.708 -2.547 91 HB2 MET 12 HB3 MET 12 27.923 3.929 -3.372 92 HB3 MET 12 HB2 MET 12 26.285 4.211 -2.781 93 HG2 MET 12 HG3 MET 12 26.077 6.083 -4.446 94 HG3 MET 12 HG2 MET 12 27.641 5.603 -5.105 95 HE1 MET 12 HE1 MET 12 24.373 4.519 -7.315 96 HE2 MET 12 HE2 MET 12 25.450 5.879 -6.964 97 HE3 MET 12 HE3 MET 12 24.118 5.504 -5.876 98 H GLY 13 H GLY 13 29.423 5.002 -0.644 99 HA2 GLY 13 HA3 GLY 13 28.022 3.657 1.318 100 HA3 GLY 13 HA2 GLY 13 29.421 4.664 1.695 101 H ARG 14 H ARG 14 28.694 7.183 1.482 102 HA ARG 14 HA ARG 14 27.005 7.722 3.706 103 HB2 ARG 14 HB3 ARG 14 27.319 10.009 3.039 104 HB3 ARG 14 HB2 ARG 14 28.790 9.155 2.576 105 HG2 ARG 14 HG3 ARG 14 28.032 8.974 0.278 106 HG3 ARG 14 HG2 ARG 14 26.462 9.658 0.703 107 HD2 ARG 14 HD3 ARG 14 27.259 11.779 0.565 108 HD3 ARG 14 HD2 ARG 14 28.684 11.376 1.544 109 HE ARG 14 HE ARG 14 28.740 10.254 -1.164 110 HH11 ARG 14 HH22 ARG 14 29.045 13.242 0.458 111 HH12 ARG 14 HH21 ARG 14 30.513 13.696 -0.342 112 HH21 ARG 14 HH11 ARG 14 30.844 10.679 -2.018 113 HH22 ARG 14 HH12 ARG 14 31.531 12.245 -1.745 114 H ASP 15 H ASP 15 26.196 6.861 0.483 115 HA ASP 15 HA ASP 15 23.430 7.977 0.781 116 HB2 ASP 15 HB3 ASP 15 25.044 7.022 -1.605 117 HB3 ASP 15 HB2 ASP 15 23.390 7.627 -1.699 118 H LYS 16 H LYS 16 25.226 5.115 1.024 119 HA LYS 16 HA LYS 16 23.863 3.020 -0.098 120 HB2 LYS 16 HB3 LYS 16 25.348 3.550 2.356 121 HB3 LYS 16 HB2 LYS 16 24.178 2.246 2.566 122 HG2 LYS 16 HG3 LYS 16 25.418 1.871 0.030 123 HG3 LYS 16 HG2 LYS 16 26.700 2.163 1.208 124 HD2 LYS 16 HD3 LYS 16 26.449 0.077 2.005 125 HD3 LYS 16 HD2 LYS 16 24.772 0.438 2.419 126 HE2 LYS 16 HE3 LYS 16 24.823 0.083 -0.395 127 HE3 LYS 16 HE2 LYS 16 25.756 -1.256 0.305 128 HZ1 LYS 16 HZ1 LYS 16 23.966 -1.595 1.913 129 HZ2 LYS 16 HZ2 LYS 16 23.403 -1.786 0.323 130 HZ3 LYS 16 HZ3 LYS 16 23.060 -0.359 1.180 131 H ALA 17 H ALA 17 22.975 3.801 3.249 132 HA ALA 17 HA ALA 17 20.499 2.610 3.398 133 HB1 ALA 17 HB1 ALA 17 21.973 4.655 4.744 134 HB2 ALA 17 HB2 ALA 17 20.684 3.642 5.391 135 HB3 ALA 17 HB3 ALA 17 20.294 5.183 4.627 136 H LEU 18 H LEU 18 21.189 5.780 1.951 137 HA LEU 18 HA LEU 18 18.413 6.384 1.344 138 HB2 LEU 18 HB3 LEU 18 20.745 7.770 1.512 139 HB3 LEU 18 HB2 LEU 18 20.629 7.577 -0.237 140 HG LEU 18 HG LEU 18 19.517 9.660 0.572 141 HD11 LEU 18 HD11 LEU 18 17.341 7.820 -0.369 142 HD12 LEU 18 HD12 LEU 18 18.733 8.113 -1.412 143 HD13 LEU 18 HD13 LEU 18 17.719 9.460 -0.896 144 HD21 LEU 18 HD21 LEU 18 18.661 8.071 2.652 145 HD22 LEU 18 HD22 LEU 18 17.209 8.185 1.657 146 HD23 LEU 18 HD23 LEU 18 17.986 9.651 2.255 147 H ALA 19 H ALA 19 21.079 4.818 -0.354 148 HA ALA 19 HA ALA 19 19.690 4.699 -2.924 149 HB1 ALA 19 HB1 ALA 19 22.285 4.232 -1.814 150 HB2 ALA 19 HB2 ALA 19 21.829 4.309 -3.516 151 HB3 ALA 19 HB3 ALA 19 21.784 2.768 -2.659 152 H VAL 20 H VAL 20 19.587 2.918 0.013 153 HA VAL 20 HA VAL 20 18.762 0.375 -1.200 154 HB VAL 20 HB VAL 20 19.454 1.526 1.434 155 HG11 VAL 20 HG11 VAL 20 18.287 -0.305 2.685 156 HG12 VAL 20 HG12 VAL 20 17.383 -0.676 1.216 157 HG13 VAL 20 HG13 VAL 20 17.186 0.890 2.001 158 HG21 VAL 20 HG21 VAL 20 19.637 -1.335 0.482 159 HG22 VAL 20 HG22 VAL 20 20.658 -0.511 1.661 160 HG23 VAL 20 HG23 VAL 20 20.777 -0.099 -0.050 161 H GLU 21 H GLU 21 17.257 3.242 0.223 162 HA GLU 21 HA GLU 21 14.595 2.092 0.430 163 HB2 GLU 21 HB3 GLU 21 15.345 3.984 1.789 164 HB3 GLU 21 HB2 GLU 21 15.654 4.936 0.337 165 HG2 GLU 21 HG3 GLU 21 13.545 5.721 0.890 166 HG3 GLU 21 HG2 GLU 21 13.108 4.376 -0.165 167 H GLN 22 H GLN 22 16.410 3.794 -2.059 168 HA GLN 22 HA GLN 22 14.097 4.270 -3.783 169 HB2 GLN 22 HB3 GLN 22 16.450 5.442 -3.605 170 HB3 GLN 22 HB2 GLN 22 16.964 4.151 -4.691 171 HG2 GLN 22 HG3 GLN 22 14.611 4.995 -5.855 172 HG3 GLN 22 HG2 GLN 22 15.293 6.503 -5.245 173 HE21 GLN 22 HE22 GLN 22 16.921 7.443 -6.503 174 HE22 GLN 22 HE21 GLN 22 17.760 6.648 -7.746 175 H PHE 23 H PHE 23 16.743 1.916 -3.620 176 HA PHE 23 HA PHE 23 16.058 0.437 -5.982 177 HB2 PHE 23 HB3 PHE 23 17.764 0.204 -3.587 178 HB3 PHE 23 HB2 PHE 23 17.254 -1.347 -4.253 179 HD1 PHE 23 HD1 PHE 23 17.198 -1.170 -7.040 180 HD2 PHE 23 HD2 PHE 23 19.853 0.880 -4.358 181 HE1 PHE 23 HE1 PHE 23 18.863 -0.940 -8.864 182 HE2 PHE 23 HE2 PHE 23 21.518 1.110 -6.180 183 HZ PHE 23 HZ PHE 23 21.024 0.200 -8.434 184 H ILE 24 H ILE 24 14.848 0.390 -2.672 185 HA ILE 24 HA ILE 24 13.516 -2.149 -2.738 186 HB ILE 24 HB ILE 24 13.164 0.449 -1.235 187 HG12 ILE 24 HG13 ILE 24 13.908 -2.256 -0.133 188 HG13 ILE 24 HG12 ILE 24 15.122 -1.255 -0.931 189 HG21 ILE 24 HG21 ILE 24 11.007 -0.281 -0.934 190 HG22 ILE 24 HG22 ILE 24 11.781 -1.292 0.286 191 HG23 ILE 24 HG23 ILE 24 11.411 -1.958 -1.305 192 HD11 ILE 24 HD11 ILE 24 14.033 -0.998 1.733 193 HD12 ILE 24 HD12 ILE 24 13.729 0.473 0.810 194 HD13 ILE 24 HD13 ILE 24 15.377 -0.125 0.999 195 H SER 25 H SER 25 12.596 1.079 -3.866 196 HA SER 25 HA SER 25 9.806 0.448 -4.351 197 HB2 SER 25 HB3 SER 25 10.804 2.721 -4.023 198 HB3 SER 25 HB2 SER 25 11.626 2.550 -5.572 199 HG SER 25 HG SER 25 8.820 2.305 -5.223 200 H ARG 26 H ARG 26 12.779 -0.068 -6.109 201 HA ARG 26 HA ARG 26 11.310 -0.678 -8.626 202 HB2 ARG 26 HB3 ARG 26 14.011 0.132 -7.785 203 HB3 ARG 26 HB2 ARG 26 14.007 -1.104 -9.043 204 HG2 ARG 26 HG3 ARG 26 12.084 1.122 -9.421 205 HG3 ARG 26 HG2 ARG 26 13.789 1.546 -9.573 206 HD2 ARG 26 HD3 ARG 26 13.883 0.575 -11.615 207 HD3 ARG 26 HD2 ARG 26 13.272 -0.952 -10.947 208 HE ARG 26 HE ARG 26 10.972 0.373 -11.019 209 HH11 ARG 26 HH11 ARG 26 13.297 1.774 -12.951 210 HH12 ARG 26 HH12 ARG 26 12.435 1.599 -14.443 211 HH21 ARG 26 HH22 ARG 26 9.962 -0.415 -13.081 212 HH22 ARG 26 HH21 ARG 26 10.545 0.360 -14.516 213 H PHE 27 H PHE 27 13.097 -2.218 -6.018 214 HA PHE 27 HA PHE 27 13.269 -4.817 -7.379 215 HB2 PHE 27 HB3 PHE 27 14.509 -3.471 -5.244 216 HB3 PHE 27 HB2 PHE 27 13.649 -4.827 -4.499 217 HD1 PHE 27 HD1 PHE 27 16.256 -3.826 -6.849 218 HD2 PHE 27 HD2 PHE 27 14.195 -7.099 -5.038 219 HE1 PHE 27 HE1 PHE 27 18.027 -5.375 -7.665 220 HE2 PHE 27 HE2 PHE 27 15.952 -8.671 -5.842 221 HZ PHE 27 HZ PHE 27 17.871 -7.802 -7.158 222 H ASN 28 H ASN 28 10.842 -3.120 -5.732 223 HA ASN 28 HA ASN 28 9.563 -5.230 -4.251 224 HB2 ASN 28 HB3 ASN 28 9.021 -2.490 -5.214 225 HB3 ASN 28 HB2 ASN 28 7.578 -3.476 -4.982 226 HD21 ASN 28 HD22 ASN 28 6.757 -2.955 -2.945 227 HD22 ASN 28 HD21 ASN 28 7.684 -2.836 -1.529 228 H SER 29 H SER 29 10.160 -6.657 -6.419 229 HA SER 29 HA SER 29 7.755 -6.655 -8.203 230 HB2 SER 29 HB3 SER 29 9.534 -8.331 -9.365 231 HB3 SER 29 HB2 SER 29 9.565 -6.588 -9.620 232 HG SER 29 HG SER 29 11.254 -6.414 -8.311 233 H GLY 30 H GLY 30 9.569 -8.536 -5.859 234 HA2 GLY 30 HA3 GLY 30 8.279 -11.066 -6.455 235 HA3 GLY 30 HA2 GLY 30 9.207 -10.699 -5.000 236 H TYR 31 H TYR 31 7.627 -8.358 -4.341 237 HA TYR 31 HA TYR 31 5.562 -9.599 -2.764 238 HB2 TYR 31 HB3 TYR 31 6.880 -7.481 -2.309 239 HB3 TYR 31 HB2 TYR 31 5.909 -6.690 -3.551 240 HD1 TYR 31 HD2 TYR 31 5.207 -9.071 -0.735 241 HD2 TYR 31 HD1 TYR 31 4.216 -5.367 -2.665 242 HE1 TYR 31 HE2 TYR 31 3.402 -8.690 0.925 243 HE2 TYR 31 HE1 TYR 31 2.410 -4.983 -1.007 244 HH TYR 31 HH TYR 31 0.949 -6.821 0.574 245 H ILE 32 H ILE 32 5.673 -8.931 -6.061 246 HA ILE 32 HA ILE 32 2.922 -8.006 -6.431 247 HB ILE 32 HB ILE 32 5.168 -9.023 -8.176 248 HG12 ILE 32 HG13 ILE 32 3.736 -6.361 -8.235 249 HG13 ILE 32 HG12 ILE 32 5.076 -6.667 -7.130 250 HG21 ILE 32 HG21 ILE 32 3.276 -7.908 -9.878 251 HG22 ILE 32 HG22 ILE 32 2.306 -8.892 -8.781 252 HG23 ILE 32 HG23 ILE 32 3.615 -9.630 -9.706 253 HD11 ILE 32 HD11 ILE 32 5.089 -6.470 -10.116 254 HD12 ILE 32 HD12 ILE 32 6.254 -7.545 -9.344 255 HD13 ILE 32 HD13 ILE 32 6.242 -5.827 -8.947 256 H LYS 33 H LYS 33 4.527 -11.078 -6.084 257 HA LYS 33 HA LYS 33 2.557 -12.725 -7.415 258 HB2 LYS 33 HB3 LYS 33 5.040 -13.118 -6.593 259 HB3 LYS 33 HB2 LYS 33 4.247 -13.635 -5.105 260 HG2 LYS 33 HG3 LYS 33 3.257 -15.472 -6.105 261 HG3 LYS 33 HG2 LYS 33 3.213 -14.713 -7.697 262 HD2 LYS 33 HD3 LYS 33 4.960 -16.148 -8.084 263 HD3 LYS 33 HD2 LYS 33 5.885 -14.837 -7.350 264 HE2 LYS 33 HE3 LYS 33 4.763 -16.540 -5.286 265 HE3 LYS 33 HE2 LYS 33 5.740 -17.491 -6.423 266 HZ1 LYS 33 HZ1 LYS 33 7.280 -16.599 -4.916 267 HZ2 LYS 33 HZ2 LYS 33 6.534 -15.076 -4.903 268 HZ3 LYS 33 HZ3 LYS 33 7.390 -15.589 -6.278 269 H ALA 34 H ALA 34 2.989 -11.605 -4.064 270 HA ALA 34 HA ALA 34 0.707 -13.148 -3.066 271 HB1 ALA 34 HB1 ALA 34 1.328 -11.227 -1.191 272 HB2 ALA 34 HB2 ALA 34 2.844 -11.375 -2.079 273 HB3 ALA 34 HB3 ALA 34 2.127 -12.794 -1.316 274 H SER 35 H SER 35 1.342 -9.807 -4.062 275 HA SER 35 HA SER 35 -0.988 -8.522 -3.141 276 HB2 SER 35 HB3 SER 35 1.181 -7.919 -4.699 277 HB3 SER 35 HB2 SER 35 -0.106 -7.900 -5.900 278 HG SER 35 HG SER 35 -0.150 -6.523 -3.413 279 H GLN 36 H GLN 36 -0.583 -10.835 -5.741 280 HA GLN 36 HA GLN 36 -3.150 -10.315 -7.025 281 HB2 GLN 36 HB3 GLN 36 -0.938 -11.460 -7.873 282 HB3 GLN 36 HB2 GLN 36 -1.623 -12.909 -7.139 283 HG2 GLN 36 HG3 GLN 36 -3.637 -11.525 -8.688 284 HG3 GLN 36 HG2 GLN 36 -2.219 -11.855 -9.684 285 HE21 GLN 36 HE22 GLN 36 -4.072 -13.380 -10.646 286 HE22 GLN 36 HE21 GLN 36 -4.104 -14.955 -10.013 287 H GLU 37 H GLU 37 -1.899 -12.643 -4.669 288 HA GLU 37 HA GLU 37 -4.252 -14.250 -4.404 289 HB2 GLU 37 HB3 GLU 37 -1.855 -14.652 -3.592 290 HB3 GLU 37 HB2 GLU 37 -2.236 -13.575 -2.247 291 HG2 GLU 37 HG3 GLU 37 -3.437 -15.166 -1.187 292 HG3 GLU 37 HG2 GLU 37 -4.302 -15.598 -2.663 293 H LEU 38 H LEU 38 -3.290 -11.178 -2.961 294 HA LEU 38 HA LEU 38 -5.368 -11.109 -0.941 295 HB2 LEU 38 HB3 LEU 38 -3.242 -9.409 -2.059 296 HB3 LEU 38 HB2 LEU 38 -4.646 -8.497 -1.507 297 HG LEU 38 HG LEU 38 -4.423 -10.144 0.585 298 HD11 LEU 38 HD11 LEU 38 -2.416 -11.228 -0.632 299 HD12 LEU 38 HD12 LEU 38 -2.201 -10.803 1.066 300 HD13 LEU 38 HD13 LEU 38 -1.531 -9.768 -0.194 301 HD21 LEU 38 HD21 LEU 38 -2.462 -8.220 1.151 302 HD22 LEU 38 HD22 LEU 38 -4.197 -8.055 1.415 303 HD23 LEU 38 HD23 LEU 38 -3.475 -7.476 -0.086 304 H VAL 39 H VAL 39 -5.123 -10.065 -4.304 305 HA VAL 39 HA VAL 39 -7.530 -8.488 -4.386 306 HB VAL 39 HB VAL 39 -6.297 -10.099 -6.629 307 HG11 VAL 39 HG11 VAL 39 -6.895 -7.507 -7.459 308 HG12 VAL 39 HG12 VAL 39 -8.230 -7.926 -6.385 309 HG13 VAL 39 HG13 VAL 39 -7.864 -8.945 -7.777 310 HG21 VAL 39 HG21 VAL 39 -5.007 -8.198 -4.916 311 HG22 VAL 39 HG22 VAL 39 -5.215 -7.462 -6.505 312 HG23 VAL 39 HG23 VAL 39 -4.355 -8.994 -6.348 313 H SER 40 H SER 40 -6.892 -11.930 -4.517 314 HA SER 40 HA SER 40 -9.360 -12.785 -5.717 315 HB2 SER 40 HB3 SER 40 -7.041 -13.950 -5.053 316 HB3 SER 40 HB2 SER 40 -7.964 -14.396 -3.620 317 HG SER 40 HG SER 40 -8.551 -15.960 -4.944 318 H TYR 41 H TYR 41 -8.468 -11.835 -2.448 319 HA TYR 41 HA TYR 41 -10.683 -12.961 -1.031 320 HB2 TYR 41 HB3 TYR 41 -8.432 -11.295 -0.584 321 HB3 TYR 41 HB2 TYR 41 -9.834 -10.407 0.014 322 HD1 TYR 41 HD2 TYR 41 -9.103 -14.081 -0.118 323 HD2 TYR 41 HD1 TYR 41 -9.892 -10.650 2.344 324 HE1 TYR 41 HE2 TYR 41 -9.171 -15.536 1.888 325 HE2 TYR 41 HE1 TYR 41 -9.960 -12.106 4.351 326 HH TYR 41 HH TYR 41 -10.191 -15.463 4.177 327 H THR 42 H THR 42 -10.337 -10.026 -2.953 328 HA THR 42 HA THR 42 -12.998 -9.018 -2.138 329 HB THR 42 HB THR 42 -10.740 -8.086 -3.917 330 HG1 THR 42 HG1 THR 42 -10.589 -6.519 -2.350 331 HG21 THR 42 HG21 THR 42 -13.543 -7.019 -3.659 332 HG22 THR 42 HG22 THR 42 -12.590 -7.275 -5.121 333 HG23 THR 42 HG23 THR 42 -12.199 -5.941 -4.035 334 H ILE 43 H ILE 43 -11.538 -10.861 -4.717 335 HA ILE 43 HA ILE 43 -13.165 -10.422 -6.929 336 HB ILE 43 HB ILE 43 -12.019 -12.919 -5.674 337 HG12 ILE 43 HG13 ILE 43 -11.277 -11.144 -8.018 338 HG13 ILE 43 HG12 ILE 43 -10.374 -11.366 -6.519 339 HG21 ILE 43 HG21 ILE 43 -13.242 -14.196 -7.066 340 HG22 ILE 43 HG22 ILE 43 -12.521 -13.348 -8.434 341 HG23 ILE 43 HG23 ILE 43 -14.029 -12.763 -7.729 342 HD11 ILE 43 HD11 ILE 43 -10.704 -13.957 -7.503 343 HD12 ILE 43 HD12 ILE 43 -9.229 -12.994 -7.582 344 HD13 ILE 43 HD13 ILE 43 -10.357 -12.992 -8.937 345 H LYS 44 H LYS 44 -14.057 -11.851 -3.860 346 HA LYS 44 HA LYS 44 -16.703 -12.694 -4.947 347 HB2 LYS 44 HB3 LYS 44 -14.837 -13.597 -2.937 348 HB3 LYS 44 HB2 LYS 44 -16.414 -13.311 -2.201 349 HG2 LYS 44 HG3 LYS 44 -16.769 -14.619 -4.744 350 HG3 LYS 44 HG2 LYS 44 -15.627 -15.539 -3.764 351 HD2 LYS 44 HD3 LYS 44 -17.180 -15.834 -2.013 352 HD3 LYS 44 HD2 LYS 44 -18.210 -14.523 -2.588 353 HE2 LYS 44 HE3 LYS 44 -17.738 -16.998 -4.264 354 HE3 LYS 44 HE2 LYS 44 -19.047 -16.912 -3.068 355 HZ1 LYS 44 HZ1 LYS 44 -19.738 -16.118 -5.285 356 HZ2 LYS 44 HZ2 LYS 44 -18.567 -14.894 -5.197 357 HZ3 LYS 44 HZ3 LYS 44 -19.859 -14.913 -4.094 358 H LEU 45 H LEU 45 -15.689 -9.870 -4.234 359 HA LEU 45 HA LEU 45 -17.017 -8.891 -1.915 360 HB2 LEU 45 HB3 LEU 45 -15.298 -7.814 -3.513 361 HB3 LEU 45 HB2 LEU 45 -16.683 -7.398 -4.522 362 HG LEU 45 HG LEU 45 -17.702 -6.156 -2.690 363 HD11 LEU 45 HD11 LEU 45 -17.120 -7.305 -0.728 364 HD12 LEU 45 HD12 LEU 45 -16.146 -5.840 -0.614 365 HD13 LEU 45 HD13 LEU 45 -15.408 -7.350 -1.149 366 HD21 LEU 45 HD21 LEU 45 -14.838 -5.261 -2.605 367 HD22 LEU 45 HD22 LEU 45 -16.301 -4.297 -2.800 368 HD23 LEU 45 HD23 LEU 45 -15.688 -5.251 -4.151 369 H SER 46 H SER 46 -19.075 -10.197 -2.099 370 HA SER 46 HA SER 46 -21.215 -8.570 -3.240 371 HB2 SER 46 HB3 SER 46 -21.948 -10.249 -4.860 372 HB3 SER 46 HB2 SER 46 -20.268 -9.837 -5.186 373 HG SER 46 HG SER 46 -21.394 -12.184 -4.248 374 H HIS 47 H HIS 47 -22.836 -8.766 -1.767 375 HA HIS 47 HA HIS 47 -24.359 -9.775 -0.263 376 HB2 HIS 47 HB3 HIS 47 -23.442 -11.812 -2.011 377 HB3 HIS 47 HB2 HIS 47 -23.403 -12.491 -0.386 378 HD1 HIS 47 HD1 HIS 47 -25.762 -11.011 -2.922 379 HD2 HIS 47 HD2 HIS 47 -25.943 -12.838 0.821 380 HE1 HIS 47 HE1 HIS 47 -28.208 -11.495 -2.478 381 H ASP 48 H ASP 48 -21.389 -9.106 0.230 382 HA ASP 48 HA ASP 48 -19.782 -9.359 1.973 383 HB2 ASP 48 HB3 ASP 48 -21.335 -7.867 2.918 384 HB3 ASP 48 HB2 ASP 48 -22.549 -9.126 3.107 385 HA PRO 49 HA PRO 49 -20.673 -13.884 2.566 386 HB2 PRO 49 HB2 PRO 49 -18.675 -14.822 0.954 387 HB3 PRO 49 HB3 PRO 49 -20.302 -14.444 0.354 388 HG2 PRO 49 HG3 PRO 49 -17.785 -12.912 0.083 389 HG3 PRO 49 HG2 PRO 49 -19.166 -13.023 -1.016 390 HD2 PRO 49 HD3 PRO 49 -18.634 -10.900 0.710 391 HD3 PRO 49 HD2 PRO 49 -20.195 -11.233 -0.065 392 H ILE 50 H ILE 50 -17.620 -12.092 2.357 393 HA ILE 50 HA ILE 50 -15.990 -13.851 3.897 394 HB ILE 50 HB ILE 50 -15.482 -11.747 2.447 395 HG12 ILE 50 HG13 ILE 50 -13.466 -11.239 4.040 396 HG13 ILE 50 HG12 ILE 50 -14.120 -12.567 5.000 397 HG21 ILE 50 HG21 ILE 50 -15.177 -9.682 3.776 398 HG22 ILE 50 HG22 ILE 50 -15.911 -10.479 5.167 399 HG23 ILE 50 HG23 ILE 50 -16.870 -10.172 3.718 400 HD11 ILE 50 HD11 ILE 50 -12.601 -13.638 3.549 401 HD12 ILE 50 HD12 ILE 50 -13.063 -12.631 2.177 402 HD13 ILE 50 HD13 ILE 50 -14.161 -13.881 2.763 403 H GLU 51 H GLU 51 -17.992 -11.084 4.885 404 HA GLU 51 HA GLU 51 -17.368 -11.344 7.712 405 HB2 GLU 51 HB3 GLU 51 -18.400 -9.432 6.075 406 HB3 GLU 51 HB2 GLU 51 -19.880 -10.038 6.821 407 HG2 GLU 51 HG3 GLU 51 -18.843 -9.725 9.062 408 HG3 GLU 51 HG2 GLU 51 -17.421 -9.032 8.281 409 H TYR 52 H TYR 52 -19.576 -12.918 5.552 410 HA TYR 52 HA TYR 52 -21.399 -13.787 7.711 411 HB2 TYR 52 HB3 TYR 52 -22.582 -13.400 5.758 412 HB3 TYR 52 HB2 TYR 52 -21.225 -13.848 4.729 413 HD1 TYR 52 HD1 TYR 52 -20.575 -16.323 4.603 414 HD2 TYR 52 HD2 TYR 52 -24.307 -14.949 6.222 415 HE1 TYR 52 HE1 TYR 52 -21.541 -18.589 4.299 416 HE2 TYR 52 HE2 TYR 52 -25.274 -17.213 5.919 417 HH TYR 52 HH TYR 52 -23.294 -19.946 4.994 418 H LEU 53 H LEU 53 -18.623 -14.961 5.924 419 HA LEU 53 HA LEU 53 -19.033 -17.768 6.704 420 HB2 LEU 53 HB3 LEU 53 -17.781 -16.461 4.656 421 HB3 LEU 53 HB2 LEU 53 -16.411 -16.820 5.706 422 HG LEU 53 HG LEU 53 -18.341 -19.036 5.305 423 HD11 LEU 53 HD11 LEU 53 -16.449 -19.062 3.130 424 HD12 LEU 53 HD12 LEU 53 -17.412 -17.587 3.055 425 HD13 LEU 53 HD13 LEU 53 -18.208 -19.160 3.061 426 HD21 LEU 53 HD21 LEU 53 -15.323 -18.942 5.058 427 HD22 LEU 53 HD22 LEU 53 -16.331 -20.353 5.381 428 HD23 LEU 53 HD23 LEU 53 -16.153 -19.097 6.606 429 H LEU 54 H LEU 54 -17.158 -14.978 7.768 430 HA LEU 54 HA LEU 54 -15.450 -16.473 9.597 431 HB2 LEU 54 HB3 LEU 54 -15.684 -13.872 8.495 432 HB3 LEU 54 HB2 LEU 54 -15.790 -13.677 10.245 433 HG LEU 54 HG LEU 54 -13.687 -15.507 9.163 434 HD11 LEU 54 HD11 LEU 54 -13.435 -12.484 9.214 435 HD12 LEU 54 HD12 LEU 54 -13.540 -13.465 7.753 436 HD13 LEU 54 HD13 LEU 54 -12.150 -13.626 8.825 437 HD21 LEU 54 HD21 LEU 54 -13.848 -13.521 11.455 438 HD22 LEU 54 HD22 LEU 54 -12.463 -14.561 11.118 439 HD23 LEU 54 HD23 LEU 54 -14.009 -15.273 11.583 440 H GLU 55 H GLU 55 -18.601 -14.932 9.772 441 HA GLU 55 HA GLU 55 -18.742 -14.906 12.689 442 HB2 GLU 55 HB3 GLU 55 -19.977 -13.539 10.780 443 HB3 GLU 55 HB2 GLU 55 -21.122 -14.876 10.862 444 HG2 GLU 55 HG3 GLU 55 -20.214 -13.492 13.377 445 HG3 GLU 55 HG2 GLU 55 -21.519 -12.813 12.403 446 H GLN 56 H GLN 56 -19.532 -17.168 10.124 447 HA GLN 56 HA GLN 56 -21.215 -18.887 11.791 448 HB2 GLN 56 HB3 GLN 56 -21.419 -18.645 9.324 449 HB3 GLN 56 HB2 GLN 56 -19.811 -19.346 9.137 450 HG2 GLN 56 HG3 GLN 56 -20.858 -21.347 9.031 451 HG3 GLN 56 HG2 GLN 56 -21.107 -21.175 10.769 452 HE21 GLN 56 HE22 GLN 56 -23.254 -21.727 11.190 453 HE22 GLN 56 HE21 GLN 56 -24.588 -21.191 10.290 454 H ILE 57 H ILE 57 -17.807 -18.528 11.181 455 HA ILE 57 HA ILE 57 -17.163 -21.243 12.156 456 HB ILE 57 HB ILE 57 -16.046 -19.335 10.415 457 HG12 ILE 57 HG13 ILE 57 -15.989 -21.827 10.268 458 HG13 ILE 57 HG12 ILE 57 -14.412 -21.090 9.987 459 HG21 ILE 57 HG21 ILE 57 -13.695 -19.209 11.371 460 HG22 ILE 57 HG22 ILE 57 -14.389 -19.701 12.916 461 HG23 ILE 57 HG23 ILE 57 -14.889 -18.184 12.169 462 HD11 ILE 57 HD11 ILE 57 -14.466 -23.108 11.575 463 HD12 ILE 57 HD12 ILE 57 -15.264 -22.037 12.726 464 HD13 ILE 57 HD13 ILE 57 -13.635 -21.667 12.158 465 H GLN 58 H GLN 58 -17.118 -17.900 13.267 466 HA GLN 58 HA GLN 58 -15.623 -18.470 15.712 467 HB2 GLN 58 HB3 GLN 58 -16.325 -16.259 14.190 468 HB3 GLN 58 HB2 GLN 58 -17.325 -16.080 15.631 469 HG2 GLN 58 HG3 GLN 58 -15.076 -14.996 15.853 470 HG3 GLN 58 HG2 GLN 58 -15.373 -16.239 17.070 471 HE21 GLN 58 HE22 GLN 58 -13.689 -15.658 13.963 472 HE22 GLN 58 HE21 GLN 58 -12.557 -16.908 14.162 473 H ASN 59 H ASN 59 -18.985 -18.469 14.722 474 HA ASN 59 HA ASN 59 -20.045 -18.467 17.461 475 HB2 ASN 59 HB3 ASN 59 -20.965 -17.830 14.946 476 HB3 ASN 59 HB2 ASN 59 -21.725 -19.399 15.221 477 HD21 ASN 59 HD22 ASN 59 -23.866 -18.671 15.684 478 HD22 ASN 59 HD21 ASN 59 -24.242 -17.682 17.010 479 H LEU 60 H LEU 60 -19.145 -20.825 15.014 480 HA LEU 60 HA LEU 60 -20.500 -23.084 16.258 481 HB2 LEU 60 HB3 LEU 60 -19.315 -22.473 13.836 482 HB3 LEU 60 HB2 LEU 60 -18.159 -23.596 14.553 483 HG LEU 60 HG LEU 60 -21.135 -24.104 14.269 484 HD11 LEU 60 HD11 LEU 60 -19.465 -25.962 12.864 485 HD12 LEU 60 HD12 LEU 60 -19.012 -24.327 12.380 486 HD13 LEU 60 HD13 LEU 60 -20.681 -24.869 12.204 487 HD21 LEU 60 HD21 LEU 60 -18.822 -25.721 15.365 488 HD22 LEU 60 HD22 LEU 60 -20.337 -26.470 14.858 489 HD23 LEU 60 HD23 LEU 60 -20.332 -25.299 16.176 490 H HIS 61 H HIS 61 -17.371 -21.530 16.596 491 HA HIS 61 HA HIS 61 -15.860 -23.607 17.795 492 HB2 HIS 61 HB3 HIS 61 -15.541 -20.965 17.145 493 HB3 HIS 61 HB2 HIS 61 -15.570 -20.881 18.907 494 HD1 HIS 61 HD1 HIS 61 -14.066 -23.223 19.859 495 HD2 HIS 61 HD2 HIS 61 -12.901 -21.214 16.396 496 HE1 HIS 61 HE1 HIS 61 -11.626 -23.791 19.488 497 H ARG 62 H ARG 62 -18.380 -21.535 19.123 498 HA ARG 62 HA ARG 62 -17.876 -22.262 21.908 499 HB2 ARG 62 HB3 ARG 62 -19.253 -20.309 20.484 500 HB3 ARG 62 HB2 ARG 62 -20.542 -21.281 21.194 501 HG2 ARG 62 HG3 ARG 62 -19.219 -21.110 23.397 502 HG3 ARG 62 HG2 ARG 62 -18.309 -19.822 22.609 503 HD2 ARG 62 HD3 ARG 62 -20.279 -18.476 22.324 504 HD3 ARG 62 HD2 ARG 62 -21.339 -19.825 22.778 505 HE ARG 62 HE ARG 62 -20.320 -19.714 25.061 506 HH11 ARG 62 HH22 ARG 62 -21.447 -16.980 23.733 507 HH12 ARG 62 HH21 ARG 62 -20.428 -15.868 24.586 508 HH21 ARG 62 HH11 ARG 62 -18.314 -18.331 25.805 509 HH22 ARG 62 HH12 ARG 62 -18.655 -16.633 25.760 510 H VAL 63 H VAL 63 -19.760 -23.551 19.254 511 HA VAL 63 HA VAL 63 -21.340 -25.311 21.043 512 HB VAL 63 HB VAL 63 -21.446 -25.625 18.092 513 HG11 VAL 63 HG11 VAL 63 -23.044 -26.713 19.600 514 HG12 VAL 63 HG12 VAL 63 -23.873 -25.537 18.582 515 HG13 VAL 63 HG13 VAL 63 -23.508 -25.147 20.262 516 HG21 VAL 63 HG21 VAL 63 -22.894 -23.496 17.986 517 HG22 VAL 63 HG22 VAL 63 -21.147 -23.258 18.027 518 HG23 VAL 63 HG23 VAL 63 -22.103 -23.020 19.489 519 H THR 64 H THR 64 -19.183 -25.748 18.233 520 HA THR 64 HA THR 64 -17.630 -27.456 17.767 521 HB THR 64 HB THR 64 -17.775 -27.065 20.595 522 HG1 THR 64 HG1 THR 64 -15.939 -26.687 19.457 523 HG21 THR 64 HG21 THR 64 -18.597 -29.242 21.033 524 HG22 THR 64 HG22 THR 64 -16.849 -29.395 21.216 525 HG23 THR 64 HG23 THR 64 -17.632 -29.957 19.740 526 H LEU 65 H LEU 65 -20.084 -28.749 20.011 527 HA LEU 65 HA LEU 65 -20.351 -31.189 18.366 528 HB2 LEU 65 HB3 LEU 65 -20.485 -30.540 21.071 529 HB3 LEU 65 HB2 LEU 65 -22.170 -30.816 20.627 530 HG LEU 65 HG LEU 65 -19.839 -32.716 20.290 531 HD11 LEU 65 HD11 LEU 65 -20.726 -32.970 22.452 532 HD12 LEU 65 HD12 LEU 65 -21.604 -34.184 21.523 533 HD13 LEU 65 HD13 LEU 65 -22.375 -32.647 21.915 534 HD21 LEU 65 HD21 LEU 65 -22.389 -32.489 18.814 535 HD22 LEU 65 HD22 LEU 65 -22.064 -34.093 19.471 536 HD23 LEU 65 HD23 LEU 65 -20.908 -33.338 18.374 537 H ALA 66 H ALA 66 -22.062 -28.187 19.013 538 HA ALA 66 HA ALA 66 -23.971 -27.287 17.928 539 HB1 ALA 66 HB1 ALA 66 -24.483 -29.392 16.047 540 HB2 ALA 66 HB2 ALA 66 -22.738 -29.173 16.176 541 HB3 ALA 66 HB3 ALA 66 -23.768 -27.809 15.742 542 H GLU 67 H GLU 67 -25.120 -27.855 19.977 543 HA GLU 67 HA GLU 67 -26.798 -28.992 21.215 544 HB2 GLU 67 HB3 GLU 67 -27.571 -28.330 18.501 545 HB3 GLU 67 HB2 GLU 67 -28.467 -29.740 19.066 546 HG2 GLU 67 HG3 GLU 67 -29.357 -28.572 20.926 547 HG3 GLU 67 HG2 GLU 67 -28.178 -27.268 20.775 548 H GLY 68 H GLY 68 -24.553 -30.703 20.335 549 HA2 GLY 68 HA3 GLY 68 -25.493 -33.174 19.242 550 HA3 GLY 68 HA2 GLY 68 -24.024 -32.986 20.202 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 52.887 13.932 2.551 2 H2 ASP 1 H2 ASP 1 51.557 12.877 2.543 3 H3 ASP 1 H3 ASP 1 53.096 12.304 2.978 4 HA ASP 1 HA ASP 1 52.987 13.134 5.077 5 HB2 ASP 1 HB3 ASP 1 52.850 15.412 3.889 6 HB3 ASP 1 HB2 ASP 1 51.101 15.274 4.069 7 H GLN 2 H GLN 2 51.021 13.584 6.719 8 HA GLN 2 HA GLN 2 48.912 12.818 7.587 9 HB2 GLN 2 HB3 GLN 2 48.595 13.394 4.815 10 HB3 GLN 2 HB2 GLN 2 47.751 11.878 5.128 11 HG2 GLN 2 HG3 GLN 2 46.563 12.937 7.022 12 HG3 GLN 2 HG2 GLN 2 47.389 14.458 6.681 13 HE21 GLN 2 HE22 GLN 2 47.221 14.802 3.990 14 HE22 GLN 2 HE21 GLN 2 45.611 14.769 3.452 15 H ASN 3 H ASN 3 47.584 10.704 7.613 16 HA ASN 3 HA ASN 3 49.480 8.422 7.419 17 HB2 ASN 3 HB3 ASN 3 46.718 8.646 8.657 18 HB3 ASN 3 HB2 ASN 3 47.896 7.367 8.946 19 HD21 ASN 3 HD22 ASN 3 46.710 10.168 10.313 20 HD22 ASN 3 HD21 ASN 3 48.061 10.617 11.236 21 H HIS 4 H HIS 4 47.317 9.824 5.379 22 HA HIS 4 HA HIS 4 45.916 9.024 3.635 23 HB2 HIS 4 HB3 HIS 4 48.463 7.534 3.817 24 HB3 HIS 4 HB2 HIS 4 47.228 6.756 2.827 25 HD1 HIS 4 HD1 HIS 4 49.713 9.433 2.759 26 HD2 HIS 4 HD2 HIS 4 46.173 8.584 0.728 27 HE1 HIS 4 HE1 HIS 4 49.704 10.897 0.691 28 H ILE 5 H ILE 5 44.371 8.436 5.595 29 HA ILE 5 HA ILE 5 44.099 5.546 6.093 30 HB ILE 5 HB ILE 5 42.427 7.942 6.882 31 HG12 ILE 5 HG13 ILE 5 43.891 6.917 9.074 32 HG13 ILE 5 HG12 ILE 5 45.034 7.028 7.736 33 HG21 ILE 5 HG21 ILE 5 42.323 5.848 8.797 34 HG22 ILE 5 HG22 ILE 5 42.050 5.109 7.220 35 HG23 ILE 5 HG23 ILE 5 41.015 6.428 7.767 36 HD11 ILE 5 HD11 ILE 5 45.105 9.269 7.921 37 HD12 ILE 5 HD12 ILE 5 44.089 9.143 9.357 38 HD13 ILE 5 HD13 ILE 5 43.351 9.371 7.772 39 H GLU 6 H GLU 6 43.439 7.257 3.497 40 HA GLU 6 HA GLU 6 41.904 7.057 1.708 41 HB2 GLU 6 HB3 GLU 6 42.273 4.522 3.044 42 HB3 GLU 6 HB2 GLU 6 40.632 4.627 2.406 43 HG2 GLU 6 HG3 GLU 6 41.400 5.002 0.191 44 HG3 GLU 6 HG2 GLU 6 43.037 5.370 0.737 45 H GLN 7 H GLN 7 39.469 6.779 1.274 46 HA GLN 7 HA GLN 7 37.703 7.101 3.608 47 HB2 GLN 7 HB3 GLN 7 36.942 9.359 2.599 48 HB3 GLN 7 HB2 GLN 7 38.479 9.337 3.469 49 HG2 GLN 7 HG3 GLN 7 39.628 9.872 1.612 50 HG3 GLN 7 HG2 GLN 7 38.832 8.597 0.690 51 HE21 GLN 7 HE22 GLN 7 38.077 9.667 -1.172 52 HE22 GLN 7 HE21 GLN 7 37.117 11.067 -1.146 53 HA PRO 8 HA PRO 8 35.911 5.340 -0.332 54 HB2 PRO 8 HB2 PRO 8 35.297 2.873 0.678 55 HB3 PRO 8 HB3 PRO 8 36.863 3.250 -0.065 56 HG2 PRO 8 HG3 PRO 8 36.129 3.072 2.812 57 HG3 PRO 8 HG2 PRO 8 37.610 2.557 1.990 58 HD2 PRO 8 HD3 PRO 8 37.411 4.861 3.443 59 HD3 PRO 8 HD2 PRO 8 38.546 4.642 2.093 60 H PHE 9 H PHE 9 34.860 4.764 3.028 61 HA PHE 9 HA PHE 9 32.042 4.625 2.398 62 HB2 PHE 9 HB3 PHE 9 33.793 4.867 4.815 63 HB3 PHE 9 HB2 PHE 9 32.068 5.180 5.003 64 HD1 PHE 9 HD1 PHE 9 34.519 2.666 3.741 65 HD2 PHE 9 HD2 PHE 9 30.506 3.402 5.084 66 HE1 PHE 9 HE1 PHE 9 34.075 0.226 3.753 67 HE2 PHE 9 HE2 PHE 9 30.062 0.963 5.095 68 HZ PHE 9 HZ PHE 9 31.846 -0.626 4.431 69 H TYR 10 H TYR 10 34.209 7.233 3.441 70 HA TYR 10 HA TYR 10 32.300 9.240 4.014 71 HB2 TYR 10 HB3 TYR 10 34.574 9.603 4.542 72 HB3 TYR 10 HB2 TYR 10 35.105 9.215 2.906 73 HD1 TYR 10 HD1 TYR 10 34.659 10.804 1.034 74 HD2 TYR 10 HD2 TYR 10 33.800 11.802 5.122 75 HE1 TYR 10 HE1 TYR 10 34.503 13.201 0.415 76 HE2 TYR 10 HE2 TYR 10 33.644 14.199 4.504 77 HH TYR 10 HH TYR 10 33.445 15.632 2.740 78 H LEU 11 H LEU 11 33.585 8.105 0.915 79 HA LEU 11 HA LEU 11 32.649 10.162 -0.794 80 HB2 LEU 11 HB3 LEU 11 33.800 7.582 -0.937 81 HB3 LEU 11 HB2 LEU 11 32.356 7.530 -1.948 82 HG LEU 11 HG LEU 11 33.098 9.435 -3.231 83 HD11 LEU 11 HD11 LEU 11 34.218 10.996 -2.020 84 HD12 LEU 11 HD12 LEU 11 35.657 10.066 -2.437 85 HD13 LEU 11 HD13 LEU 11 34.850 9.798 -0.892 86 HD21 LEU 11 HD21 LEU 11 35.161 8.549 -4.207 87 HD22 LEU 11 HD22 LEU 11 34.087 7.212 -3.795 88 HD23 LEU 11 HD23 LEU 11 35.462 7.590 -2.758 89 H MET 12 H MET 12 31.029 7.126 0.146 90 HA MET 12 HA MET 12 28.625 7.270 -1.192 91 HB2 MET 12 HB3 MET 12 29.576 6.319 1.440 92 HB3 MET 12 HB2 MET 12 27.828 6.525 1.319 93 HG2 MET 12 HG3 MET 12 28.258 4.289 0.602 94 HG3 MET 12 HG2 MET 12 27.970 5.212 -0.873 95 HE1 MET 12 HE1 MET 12 30.677 4.927 -2.988 96 HE2 MET 12 HE2 MET 12 28.966 5.126 -2.584 97 HE3 MET 12 HE3 MET 12 29.669 3.514 -2.688 98 H GLY 13 H GLY 13 28.830 8.535 2.135 99 HA2 GLY 13 HA3 GLY 13 27.628 10.278 3.160 100 HA3 GLY 13 HA2 GLY 13 28.006 11.176 1.690 101 H ARG 14 H ARG 14 26.443 11.241 -0.001 102 HA ARG 14 HA ARG 14 23.698 11.222 0.813 103 HB2 ARG 14 HB3 ARG 14 23.359 11.550 -1.664 104 HB3 ARG 14 HB2 ARG 14 24.565 12.633 -0.968 105 HG2 ARG 14 HG3 ARG 14 25.898 10.225 -1.719 106 HG3 ARG 14 HG2 ARG 14 24.904 10.736 -3.085 107 HD2 ARG 14 HD3 ARG 14 25.969 12.870 -3.199 108 HD3 ARG 14 HD2 ARG 14 26.713 12.664 -1.601 109 HE ARG 14 HE ARG 14 28.435 11.495 -2.701 110 HH11 ARG 14 HH22 ARG 14 25.801 11.844 -4.822 111 HH12 ARG 14 HH21 ARG 14 26.287 10.568 -5.886 112 HH21 ARG 14 HH11 ARG 14 28.929 9.549 -3.885 113 HH22 ARG 14 HH12 ARG 14 28.059 9.269 -5.356 114 H ASP 15 H ASP 15 25.759 8.650 -0.043 115 HA ASP 15 HA ASP 15 24.342 6.832 -1.557 116 HB2 ASP 15 HB3 ASP 15 26.506 6.350 -0.594 117 HB3 ASP 15 HB2 ASP 15 25.856 6.457 1.042 118 H LYS 16 H LYS 16 23.506 7.980 1.654 119 HA LYS 16 HA LYS 16 21.778 6.036 2.642 120 HB2 LYS 16 HB3 LYS 16 22.059 8.973 2.740 121 HB3 LYS 16 HB2 LYS 16 20.454 8.381 3.171 122 HG2 LYS 16 HG3 LYS 16 22.546 6.758 4.380 123 HG3 LYS 16 HG2 LYS 16 22.691 8.453 4.846 124 HD2 LYS 16 HD3 LYS 16 19.920 7.761 4.915 125 HD3 LYS 16 HD2 LYS 16 20.812 6.518 5.796 126 HE2 LYS 16 HE3 LYS 16 20.214 8.352 7.328 127 HE3 LYS 16 HE2 LYS 16 21.972 8.339 7.085 128 HZ1 LYS 16 HZ1 LYS 16 21.754 9.990 5.373 129 HZ2 LYS 16 HZ2 LYS 16 20.990 10.567 6.773 130 HZ3 LYS 16 HZ3 LYS 16 20.059 9.958 5.488 131 H ALA 17 H ALA 17 21.034 8.514 0.195 132 HA ALA 17 HA ALA 17 18.281 7.685 -0.171 133 HB1 ALA 17 HB1 ALA 17 19.367 8.990 -2.472 134 HB2 ALA 17 HB2 ALA 17 20.101 9.712 -1.040 135 HB3 ALA 17 HB3 ALA 17 18.346 9.682 -1.212 136 H LEU 18 H LEU 18 21.355 6.622 -1.441 137 HA LEU 18 HA LEU 18 20.220 5.225 -3.757 138 HB2 LEU 18 HB3 LEU 18 22.677 6.198 -3.004 139 HB3 LEU 18 HB2 LEU 18 22.880 4.472 -2.710 140 HG LEU 18 HG LEU 18 21.774 4.222 -5.081 141 HD11 LEU 18 HD11 LEU 18 21.954 6.052 -6.537 142 HD12 LEU 18 HD12 LEU 18 23.111 6.886 -5.499 143 HD13 LEU 18 HD13 LEU 18 21.408 6.812 -5.041 144 HD21 LEU 18 HD21 LEU 18 23.883 3.460 -5.349 145 HD22 LEU 18 HD22 LEU 18 24.503 4.593 -4.148 146 HD23 LEU 18 HD23 LEU 18 24.335 5.095 -5.830 147 H ALA 19 H ALA 19 21.023 4.490 -0.417 148 HA ALA 19 HA ALA 19 20.888 1.593 -0.715 149 HB1 ALA 19 HB1 ALA 19 20.392 2.488 1.955 150 HB2 ALA 19 HB2 ALA 19 21.583 3.568 1.232 151 HB3 ALA 19 HB3 ALA 19 21.888 1.833 1.290 152 H VAL 20 H VAL 20 18.601 4.179 -0.068 153 HA VAL 20 HA VAL 20 16.486 2.444 0.948 154 HB VAL 20 HB VAL 20 16.871 4.941 1.352 155 HG11 VAL 20 HG11 VAL 20 16.691 6.432 -0.346 156 HG12 VAL 20 HG12 VAL 20 15.274 5.625 -1.017 157 HG13 VAL 20 HG13 VAL 20 16.891 5.039 -1.408 158 HG21 VAL 20 HG21 VAL 20 14.611 5.252 1.795 159 HG22 VAL 20 HG22 VAL 20 14.651 3.502 1.583 160 HG23 VAL 20 HG23 VAL 20 14.108 4.538 0.263 161 H GLU 21 H GLU 21 17.588 3.494 -2.207 162 HA GLU 21 HA GLU 21 15.118 2.840 -3.620 163 HB2 GLU 21 HB3 GLU 21 17.302 4.356 -4.127 164 HB3 GLU 21 HB2 GLU 21 17.762 2.887 -4.990 165 HG2 GLU 21 HG3 GLU 21 16.529 3.779 -6.685 166 HG3 GLU 21 HG2 GLU 21 15.158 3.152 -5.770 167 H GLN 22 H GLN 22 17.940 1.100 -2.544 168 HA GLN 22 HA GLN 22 17.619 -1.158 -4.380 169 HB2 GLN 22 HB3 GLN 22 19.698 -0.225 -3.061 170 HB3 GLN 22 HB2 GLN 22 19.076 -1.222 -1.748 171 HG2 GLN 22 HG3 GLN 22 19.718 -3.145 -2.757 172 HG3 GLN 22 HG2 GLN 22 19.123 -2.614 -4.330 173 HE21 GLN 22 HE22 GLN 22 20.613 -1.502 -5.751 174 HE22 GLN 22 HE21 GLN 22 22.276 -1.415 -5.422 175 H PHE 23 H PHE 23 16.829 -0.445 -1.000 176 HA PHE 23 HA PHE 23 15.735 -3.040 -0.368 177 HB2 PHE 23 HB3 PHE 23 16.283 -0.559 0.889 178 HB3 PHE 23 HB2 PHE 23 14.562 -0.861 1.129 179 HD1 PHE 23 HD1 PHE 23 13.791 -2.937 2.250 180 HD2 PHE 23 HD2 PHE 23 17.960 -1.960 1.910 181 HE1 PHE 23 HE1 PHE 23 14.326 -4.616 3.996 182 HE2 PHE 23 HE2 PHE 23 18.495 -3.640 3.654 183 HZ PHE 23 HZ PHE 23 16.678 -4.967 4.697 184 H ILE 24 H ILE 24 14.451 -0.182 -1.948 185 HA ILE 24 HA ILE 24 11.644 -1.009 -1.673 186 HB ILE 24 HB ILE 24 13.175 1.158 -3.121 187 HG12 ILE 24 HG13 ILE 24 12.793 1.274 -0.632 188 HG13 ILE 24 HG12 ILE 24 12.066 2.610 -1.525 189 HG21 ILE 24 HG21 ILE 24 11.337 0.678 -4.590 190 HG22 ILE 24 HG22 ILE 24 10.868 2.092 -3.646 191 HG23 ILE 24 HG23 ILE 24 10.221 0.503 -3.236 192 HD11 ILE 24 HD11 ILE 24 10.636 0.122 -0.545 193 HD12 ILE 24 HD12 ILE 24 9.895 1.385 -1.531 194 HD13 ILE 24 HD13 ILE 24 10.456 1.753 0.100 195 H SER 25 H SER 25 14.227 -1.272 -4.064 196 HA SER 25 HA SER 25 12.640 -1.998 -6.335 197 HB2 SER 25 HB3 SER 25 15.031 -1.306 -6.333 198 HB3 SER 25 HB2 SER 25 15.452 -2.817 -5.531 199 HG SER 25 HG SER 25 15.599 -3.520 -7.513 200 H ARG 26 H ARG 26 13.675 -3.793 -3.510 201 HA ARG 26 HA ARG 26 12.890 -6.387 -4.737 202 HB2 ARG 26 HB3 ARG 26 14.760 -5.449 -2.798 203 HB3 ARG 26 HB2 ARG 26 13.644 -6.535 -1.970 204 HG2 ARG 26 HG3 ARG 26 14.842 -7.302 -4.625 205 HG3 ARG 26 HG2 ARG 26 15.730 -7.571 -3.126 206 HD2 ARG 26 HD3 ARG 26 13.046 -8.481 -2.716 207 HD3 ARG 26 HD2 ARG 26 13.650 -9.191 -4.227 208 HE ARG 26 HE ARG 26 15.693 -9.275 -2.195 209 HH11 ARG 26 HH11 ARG 26 13.455 -11.050 -3.988 210 HH12 ARG 26 HH12 ARG 26 13.484 -12.444 -2.960 211 HH21 ARG 26 HH22 ARG 26 15.434 -10.935 -0.522 212 HH22 ARG 26 HH21 ARG 26 14.603 -12.379 -0.998 213 H PHE 27 H PHE 27 11.782 -4.004 -2.409 214 HA PHE 27 HA PHE 27 9.670 -5.791 -1.355 215 HB2 PHE 27 HB3 PHE 27 11.140 -3.497 -0.517 216 HB3 PHE 27 HB2 PHE 27 9.429 -3.044 -0.557 217 HD1 PHE 27 HD1 PHE 27 11.941 -5.235 0.929 218 HD2 PHE 27 HD2 PHE 27 7.813 -4.140 0.837 219 HE1 PHE 27 HE1 PHE 27 11.574 -6.495 3.046 220 HE2 PHE 27 HE2 PHE 27 7.419 -5.394 2.952 221 HZ PHE 27 HZ PHE 27 9.307 -6.572 4.057 222 H ASN 28 H ASN 28 10.076 -3.234 -3.712 223 HA ASN 28 HA ASN 28 7.229 -2.597 -3.930 224 HB2 ASN 28 HB3 ASN 28 8.950 -0.948 -4.411 225 HB3 ASN 28 HB2 ASN 28 9.677 -2.011 -5.616 226 HD21 ASN 28 HD22 ASN 28 6.472 -0.497 -4.912 227 HD22 ASN 28 HD21 ASN 28 6.097 -0.196 -6.540 228 H SER 29 H SER 29 9.257 -3.501 -6.676 229 HA SER 29 HA SER 29 7.369 -4.684 -8.300 230 HB2 SER 29 HB3 SER 29 9.644 -4.374 -9.008 231 HB3 SER 29 HB2 SER 29 10.251 -5.426 -7.732 232 HG SER 29 HG SER 29 10.046 -6.362 -9.907 233 H GLY 30 H GLY 30 8.864 -6.116 -5.434 234 HA2 GLY 30 HA3 GLY 30 8.037 -8.812 -5.852 235 HA3 GLY 30 HA2 GLY 30 8.360 -8.092 -4.274 236 H TYR 31 H TYR 31 6.371 -6.011 -4.576 237 HA TYR 31 HA TYR 31 4.052 -7.435 -3.587 238 HB2 TYR 31 HB3 TYR 31 4.898 -5.120 -2.975 239 HB3 TYR 31 HB2 TYR 31 4.307 -4.568 -4.542 240 HD1 TYR 31 HD1 TYR 31 2.997 -6.835 -1.853 241 HD2 TYR 31 HD2 TYR 31 2.276 -3.448 -4.390 242 HE1 TYR 31 HE1 TYR 31 0.712 -6.616 -0.909 243 HE2 TYR 31 HE2 TYR 31 -0.008 -3.226 -3.448 244 HH TYR 31 HH TYR 31 -1.635 -5.413 -2.042 245 H ILE 32 H ILE 32 5.204 -7.144 -6.695 246 HA ILE 32 HA ILE 32 2.590 -6.683 -8.010 247 HB ILE 32 HB ILE 32 5.313 -7.393 -9.135 248 HG12 ILE 32 HG13 ILE 32 5.335 -5.338 -7.709 249 HG13 ILE 32 HG12 ILE 32 5.652 -4.990 -9.409 250 HG21 ILE 32 HG21 ILE 32 2.676 -6.728 -10.273 251 HG22 ILE 32 HG22 ILE 32 4.041 -7.567 -11.011 252 HG23 ILE 32 HG23 ILE 32 4.015 -5.804 -10.954 253 HD11 ILE 32 HD11 ILE 32 2.860 -4.890 -9.165 254 HD12 ILE 32 HD12 ILE 32 3.952 -3.514 -9.331 255 HD13 ILE 32 HD13 ILE 32 3.469 -4.069 -7.728 256 H LYS 33 H LYS 33 4.603 -9.324 -6.979 257 HA LYS 33 HA LYS 33 3.390 -11.290 -8.805 258 HB2 LYS 33 HB3 LYS 33 5.404 -11.261 -6.566 259 HB3 LYS 33 HB2 LYS 33 4.771 -12.797 -7.161 260 HG2 LYS 33 HG3 LYS 33 5.492 -12.241 -9.437 261 HG3 LYS 33 HG2 LYS 33 6.072 -10.669 -8.887 262 HD2 LYS 33 HD3 LYS 33 8.025 -11.564 -8.217 263 HD3 LYS 33 HD2 LYS 33 7.181 -12.760 -7.231 264 HE2 LYS 33 HE3 LYS 33 6.835 -14.158 -9.277 265 HE3 LYS 33 HE2 LYS 33 7.801 -12.987 -10.199 266 HZ1 LYS 33 HZ1 LYS 33 8.750 -14.266 -7.695 267 HZ2 LYS 33 HZ2 LYS 33 9.657 -13.346 -8.793 268 HZ3 LYS 33 HZ3 LYS 33 9.097 -14.887 -9.238 269 H ALA 34 H ALA 34 2.834 -10.034 -5.594 270 HA ALA 34 HA ALA 34 0.937 -12.260 -4.986 271 HB1 ALA 34 HB1 ALA 34 1.914 -10.007 -3.210 272 HB2 ALA 34 HB2 ALA 34 2.800 -11.519 -3.413 273 HB3 ALA 34 HB3 ALA 34 1.185 -11.532 -2.704 274 H SER 35 H SER 35 1.117 -8.821 -5.667 275 HA SER 35 HA SER 35 -1.279 -7.801 -4.685 276 HB2 SER 35 HB3 SER 35 0.593 -7.292 -6.847 277 HB3 SER 35 HB2 SER 35 -1.046 -6.870 -7.334 278 HG SER 35 HG SER 35 -0.141 -5.117 -6.286 279 H GLN 36 H GLN 36 -0.829 -10.145 -7.252 280 HA GLN 36 HA GLN 36 -3.565 -9.940 -8.281 281 HB2 GLN 36 HB3 GLN 36 -1.300 -10.768 -9.367 282 HB3 GLN 36 HB2 GLN 36 -1.747 -12.309 -8.636 283 HG2 GLN 36 HG3 GLN 36 -4.111 -11.677 -9.754 284 HG3 GLN 36 HG2 GLN 36 -3.041 -10.826 -10.869 285 HE21 GLN 36 HE22 GLN 36 -4.486 -13.069 -11.802 286 HE22 GLN 36 HE21 GLN 36 -3.409 -14.351 -12.079 287 H GLU 37 H GLU 37 -1.763 -12.073 -6.107 288 HA GLU 37 HA GLU 37 -3.915 -13.948 -5.642 289 HB2 GLU 37 HB3 GLU 37 -1.376 -14.168 -5.269 290 HB3 GLU 37 HB2 GLU 37 -1.631 -13.255 -3.781 291 HG2 GLU 37 HG3 GLU 37 -3.319 -15.674 -4.374 292 HG3 GLU 37 HG2 GLU 37 -1.707 -15.867 -3.683 293 H LEU 38 H LEU 38 -3.088 -10.808 -4.331 294 HA LEU 38 HA LEU 38 -4.678 -11.047 -1.901 295 HB2 LEU 38 HB3 LEU 38 -3.101 -9.021 -3.392 296 HB3 LEU 38 HB2 LEU 38 -4.369 -8.382 -2.347 297 HG LEU 38 HG LEU 38 -3.016 -10.463 -0.928 298 HD11 LEU 38 HD11 LEU 38 -1.050 -10.216 -2.227 299 HD12 LEU 38 HD12 LEU 38 -0.768 -9.198 -0.816 300 HD13 LEU 38 HD13 LEU 38 -1.250 -8.467 -2.347 301 HD21 LEU 38 HD21 LEU 38 -4.204 -8.564 0.082 302 HD22 LEU 38 HD22 LEU 38 -3.038 -7.442 -0.622 303 HD23 LEU 38 HD23 LEU 38 -2.525 -8.583 0.623 304 H VAL 39 H VAL 39 -5.266 -10.019 -5.215 305 HA VAL 39 HA VAL 39 -7.830 -8.742 -4.649 306 HB VAL 39 HB VAL 39 -6.310 -9.641 -7.100 307 HG11 VAL 39 HG11 VAL 39 -8.787 -9.879 -7.459 308 HG12 VAL 39 HG12 VAL 39 -8.039 -8.661 -8.491 309 HG13 VAL 39 HG13 VAL 39 -8.960 -8.168 -7.069 310 HG21 VAL 39 HG21 VAL 39 -6.953 -7.027 -5.742 311 HG22 VAL 39 HG22 VAL 39 -6.512 -7.065 -7.450 312 HG23 VAL 39 HG23 VAL 39 -5.380 -7.657 -6.233 313 H SER 40 H SER 40 -6.721 -11.976 -5.413 314 HA SER 40 HA SER 40 -9.363 -12.986 -6.178 315 HB2 SER 40 HB3 SER 40 -6.761 -13.732 -6.573 316 HB3 SER 40 HB2 SER 40 -7.228 -14.831 -5.279 317 HG SER 40 HG SER 40 -7.722 -15.165 -7.772 318 H TYR 41 H TYR 41 -7.497 -12.650 -3.231 319 HA TYR 41 HA TYR 41 -9.143 -14.544 -1.699 320 HB2 TYR 41 HB3 TYR 41 -6.699 -14.065 -1.334 321 HB3 TYR 41 HB2 TYR 41 -7.143 -12.443 -0.803 322 HD1 TYR 41 HD2 TYR 41 -7.771 -16.063 -0.104 323 HD2 TYR 41 HD1 TYR 41 -7.801 -12.048 1.425 324 HE1 TYR 41 HE2 TYR 41 -8.236 -16.933 2.171 325 HE2 TYR 41 HE1 TYR 41 -8.267 -12.919 3.700 326 HH TYR 41 HH TYR 41 -7.822 -15.195 4.923 327 H THR 42 H THR 42 -9.180 -11.146 -2.486 328 HA THR 42 HA THR 42 -11.146 -10.570 -0.319 329 HB THR 42 HB THR 42 -10.111 -8.561 -2.289 330 HG1 THR 42 HG1 THR 42 -8.262 -9.671 -1.780 331 HG21 THR 42 HG21 THR 42 -10.303 -7.071 -0.456 332 HG22 THR 42 HG22 THR 42 -10.312 -8.388 0.717 333 HG23 THR 42 HG23 THR 42 -11.713 -8.123 -0.321 334 H ILE 43 H ILE 43 -11.177 -11.637 -3.494 335 HA ILE 43 HA ILE 43 -13.413 -10.015 -4.472 336 HB ILE 43 HB ILE 43 -11.465 -11.207 -5.733 337 HG12 ILE 43 HG13 ILE 43 -14.230 -11.677 -6.854 338 HG13 ILE 43 HG12 ILE 43 -13.562 -10.054 -6.684 339 HG21 ILE 43 HG21 ILE 43 -12.060 -13.475 -6.531 340 HG22 ILE 43 HG22 ILE 43 -13.457 -13.477 -5.454 341 HG23 ILE 43 HG23 ILE 43 -11.825 -13.440 -4.784 342 HD11 ILE 43 HD11 ILE 43 -11.867 -12.132 -8.006 343 HD12 ILE 43 HD12 ILE 43 -11.951 -10.395 -8.305 344 HD13 ILE 43 HD13 ILE 43 -13.216 -11.459 -8.922 345 H LYS 44 H LYS 44 -12.962 -13.343 -3.315 346 HA LYS 44 HA LYS 44 -15.929 -13.686 -3.213 347 HB2 LYS 44 HB3 LYS 44 -13.531 -15.391 -3.583 348 HB3 LYS 44 HB2 LYS 44 -14.851 -16.118 -2.667 349 HG2 LYS 44 HG3 LYS 44 -16.300 -15.088 -4.663 350 HG3 LYS 44 HG2 LYS 44 -14.773 -15.269 -5.527 351 HD2 LYS 44 HD3 LYS 44 -14.866 -17.551 -5.483 352 HD3 LYS 44 HD2 LYS 44 -15.582 -17.590 -3.871 353 HE2 LYS 44 HE3 LYS 44 -17.691 -16.577 -5.112 354 HE3 LYS 44 HE2 LYS 44 -16.941 -17.328 -6.535 355 HZ1 LYS 44 HZ1 LYS 44 -16.867 -19.413 -5.462 356 HZ2 LYS 44 HZ2 LYS 44 -18.435 -18.824 -5.195 357 HZ3 LYS 44 HZ3 LYS 44 -17.278 -18.749 -3.953 358 H LEU 45 H LEU 45 -14.068 -12.249 -1.240 359 HA LEU 45 HA LEU 45 -15.294 -13.364 1.196 360 HB2 LEU 45 HB3 LEU 45 -13.208 -14.706 0.661 361 HB3 LEU 45 HB2 LEU 45 -12.280 -13.226 0.903 362 HG LEU 45 HG LEU 45 -12.433 -14.721 2.942 363 HD11 LEU 45 HD11 LEU 45 -12.333 -12.028 2.764 364 HD12 LEU 45 HD12 LEU 45 -12.332 -12.881 4.308 365 HD13 LEU 45 HD13 LEU 45 -13.832 -12.201 3.677 366 HD21 LEU 45 HD21 LEU 45 -14.452 -15.210 3.928 367 HD22 LEU 45 HD22 LEU 45 -15.032 -15.018 2.274 368 HD23 LEU 45 HD23 LEU 45 -15.184 -13.687 3.421 369 H SER 46 H SER 46 -16.134 -11.386 1.848 370 HA SER 46 HA SER 46 -14.384 -9.379 2.951 371 HB2 SER 46 HB3 SER 46 -13.881 -8.380 0.970 372 HB3 SER 46 HB2 SER 46 -15.158 -9.247 0.120 373 HG SER 46 HG SER 46 -15.141 -6.728 0.911 374 H HIS 47 H HIS 47 -15.605 -8.481 4.560 375 HA HIS 47 HA HIS 47 -17.504 -7.776 5.776 376 HB2 HIS 47 HB3 HIS 47 -17.656 -6.894 3.045 377 HB3 HIS 47 HB2 HIS 47 -19.282 -7.254 3.620 378 HD1 HIS 47 HD1 HIS 47 -19.482 -6.302 6.356 379 HD2 HIS 47 HD2 HIS 47 -17.094 -4.260 3.617 380 HE1 HIS 47 HE1 HIS 47 -19.183 -3.960 7.273 381 H ASP 48 H ASP 48 -17.251 -10.605 4.570 382 HA ASP 48 HA ASP 48 -20.130 -11.389 4.914 383 HB2 ASP 48 HB3 ASP 48 -18.768 -11.560 2.645 384 HB3 ASP 48 HB2 ASP 48 -18.136 -13.024 3.398 385 HA PRO 49 HA PRO 49 -17.121 -13.548 7.886 386 HB2 PRO 49 HB2 PRO 49 -17.781 -12.210 10.181 387 HB3 PRO 49 HB3 PRO 49 -16.462 -11.696 9.109 388 HG2 PRO 49 HG3 PRO 49 -19.234 -10.638 9.344 389 HG3 PRO 49 HG2 PRO 49 -17.713 -9.770 9.082 390 HD2 PRO 49 HD3 PRO 49 -19.492 -10.313 7.086 391 HD3 PRO 49 HD2 PRO 49 -17.745 -10.130 6.818 392 H ILE 50 H ILE 50 -20.425 -12.343 8.284 393 HA ILE 50 HA ILE 50 -21.275 -14.405 10.138 394 HB ILE 50 HB ILE 50 -22.622 -12.398 8.326 395 HG12 ILE 50 HG13 ILE 50 -21.423 -11.634 10.389 396 HG13 ILE 50 HG12 ILE 50 -23.156 -11.303 10.439 397 HG21 ILE 50 HG21 ILE 50 -24.124 -14.324 8.484 398 HG22 ILE 50 HG22 ILE 50 -24.747 -13.003 9.474 399 HG23 ILE 50 HG23 ILE 50 -23.922 -14.363 10.236 400 HD11 ILE 50 HD11 ILE 50 -21.714 -13.610 11.778 401 HD12 ILE 50 HD12 ILE 50 -23.468 -13.435 11.722 402 HD13 ILE 50 HD13 ILE 50 -22.490 -12.244 12.578 403 H GLU 51 H GLU 51 -20.907 -14.236 6.677 404 HA GLU 51 HA GLU 51 -22.720 -16.479 6.117 405 HB2 GLU 51 HB3 GLU 51 -22.568 -14.884 4.399 406 HB3 GLU 51 HB2 GLU 51 -20.830 -14.681 4.615 407 HG2 GLU 51 HG3 GLU 51 -21.370 -15.939 2.540 408 HG3 GLU 51 HG2 GLU 51 -20.424 -16.902 3.676 409 H TYR 52 H TYR 52 -19.335 -15.987 6.852 410 HA TYR 52 HA TYR 52 -18.475 -18.612 5.854 411 HB2 TYR 52 HB3 TYR 52 -17.337 -16.135 6.608 412 HB3 TYR 52 HB2 TYR 52 -16.696 -17.327 7.740 413 HD1 TYR 52 HD2 TYR 52 -17.090 -16.508 4.136 414 HD2 TYR 52 HD1 TYR 52 -15.145 -19.006 7.038 415 HE1 TYR 52 HE2 TYR 52 -15.559 -17.355 2.380 416 HE2 TYR 52 HE1 TYR 52 -13.613 -19.855 5.282 417 HH TYR 52 HH TYR 52 -12.746 -18.839 2.955 418 H LEU 53 H LEU 53 -19.613 -17.228 8.873 419 HA LEU 53 HA LEU 53 -18.678 -19.440 10.544 420 HB2 LEU 53 HB3 LEU 53 -19.386 -16.857 10.961 421 HB3 LEU 53 HB2 LEU 53 -20.901 -17.653 11.390 422 HG LEU 53 HG LEU 53 -19.563 -17.489 13.396 423 HD11 LEU 53 HD11 LEU 53 -20.791 -19.582 13.158 424 HD12 LEU 53 HD12 LEU 53 -19.234 -19.914 13.916 425 HD13 LEU 53 HD13 LEU 53 -19.479 -20.278 12.208 426 HD21 LEU 53 HD21 LEU 53 -17.409 -17.637 11.666 427 HD22 LEU 53 HD22 LEU 53 -17.352 -19.197 12.488 428 HD23 LEU 53 HD23 LEU 53 -17.304 -17.704 13.425 429 H LEU 54 H LEU 54 -21.686 -18.528 8.917 430 HA LEU 54 HA LEU 54 -23.298 -20.623 10.126 431 HB2 LEU 54 HB3 LEU 54 -24.230 -18.543 9.219 432 HB3 LEU 54 HB2 LEU 54 -23.598 -18.936 7.619 433 HG LEU 54 HG LEU 54 -25.062 -21.202 8.409 434 HD11 LEU 54 HD11 LEU 54 -27.022 -18.994 8.597 435 HD12 LEU 54 HD12 LEU 54 -25.980 -19.186 10.005 436 HD13 LEU 54 HD13 LEU 54 -26.976 -20.533 9.455 437 HD21 LEU 54 HD21 LEU 54 -25.231 -19.015 6.411 438 HD22 LEU 54 HD22 LEU 54 -26.725 -19.909 6.689 439 HD23 LEU 54 HD23 LEU 54 -25.271 -20.763 6.174 440 H GLU 55 H GLU 55 -21.188 -20.387 7.332 441 HA GLU 55 HA GLU 55 -22.158 -22.787 6.002 442 HB2 GLU 55 HB3 GLU 55 -20.742 -20.653 5.240 443 HB3 GLU 55 HB2 GLU 55 -19.389 -21.706 5.655 444 HG2 GLU 55 HG3 GLU 55 -20.650 -23.491 4.232 445 HG3 GLU 55 HG2 GLU 55 -21.514 -22.107 3.561 446 H GLN 56 H GLN 56 -19.801 -22.072 8.503 447 HA GLN 56 HA GLN 56 -18.370 -24.597 8.338 448 HB2 GLN 56 HB3 GLN 56 -17.341 -22.631 9.293 449 HB3 GLN 56 HB2 GLN 56 -18.668 -22.429 10.438 450 HG2 GLN 56 HG3 GLN 56 -17.690 -23.829 11.902 451 HG3 GLN 56 HG2 GLN 56 -17.560 -25.086 10.672 452 HE21 GLN 56 HE22 GLN 56 -15.703 -23.081 12.653 453 HE22 GLN 56 HE21 GLN 56 -14.243 -23.149 11.790 454 H ILE 57 H ILE 57 -21.326 -23.516 9.869 455 HA ILE 57 HA ILE 57 -21.449 -25.856 11.664 456 HB ILE 57 HB ILE 57 -22.410 -23.212 11.610 457 HG12 ILE 57 HG13 ILE 57 -21.730 -24.321 13.628 458 HG13 ILE 57 HG12 ILE 57 -23.439 -23.924 13.818 459 HG21 ILE 57 HG21 ILE 57 -24.875 -23.643 12.051 460 HG22 ILE 57 HG22 ILE 57 -24.637 -25.235 11.331 461 HG23 ILE 57 HG23 ILE 57 -24.374 -23.784 10.365 462 HD11 ILE 57 HD11 ILE 57 -23.647 -26.371 12.664 463 HD12 ILE 57 HD12 ILE 57 -23.604 -26.126 14.409 464 HD13 ILE 57 HD13 ILE 57 -22.133 -26.573 13.546 465 H GLN 58 H GLN 58 -22.806 -24.745 8.615 466 HA GLN 58 HA GLN 58 -24.823 -26.861 8.460 467 HB2 GLN 58 HB3 GLN 58 -24.303 -24.403 7.267 468 HB3 GLN 58 HB2 GLN 58 -23.975 -25.559 5.974 469 HG2 GLN 58 HG3 GLN 58 -26.220 -25.532 5.642 470 HG3 GLN 58 HG2 GLN 58 -26.290 -26.568 7.068 471 HE21 GLN 58 HE22 GLN 58 -25.893 -24.910 9.192 472 HE22 GLN 58 HE21 GLN 58 -27.029 -23.648 9.219 473 H ASN 59 H ASN 59 -21.474 -26.446 7.522 474 HA ASN 59 HA ASN 59 -21.469 -28.744 5.684 475 HB2 ASN 59 HB3 ASN 59 -19.992 -26.449 6.017 476 HB3 ASN 59 HB2 ASN 59 -18.930 -27.662 6.734 477 HD21 ASN 59 HD22 ASN 59 -18.894 -26.157 4.008 478 HD22 ASN 59 HD21 ASN 59 -18.679 -27.402 2.875 479 H LEU 60 H LEU 60 -20.701 -28.064 9.048 480 HA LEU 60 HA LEU 60 -19.199 -30.492 9.553 481 HB2 LEU 60 HB3 LEU 60 -19.762 -28.100 10.827 482 HB3 LEU 60 HB2 LEU 60 -20.670 -29.269 11.787 483 HG LEU 60 HG LEU 60 -18.476 -29.165 12.749 484 HD11 LEU 60 HD11 LEU 60 -19.527 -31.460 12.229 485 HD12 LEU 60 HD12 LEU 60 -17.804 -31.436 12.602 486 HD13 LEU 60 HD13 LEU 60 -18.342 -31.569 10.927 487 HD21 LEU 60 HD21 LEU 60 -17.075 -29.972 10.251 488 HD22 LEU 60 HD22 LEU 60 -16.525 -28.925 11.560 489 HD23 LEU 60 HD23 LEU 60 -17.628 -28.300 10.334 490 H HIS 61 H HIS 61 -22.608 -29.657 9.502 491 HA HIS 61 HA HIS 61 -23.580 -31.907 11.032 492 HB2 HIS 61 HB3 HIS 61 -24.568 -29.577 9.933 493 HB3 HIS 61 HB2 HIS 61 -25.294 -30.810 8.902 494 HD1 HIS 61 HD1 HIS 61 -27.068 -32.337 9.933 495 HD2 HIS 61 HD2 HIS 61 -25.315 -29.778 12.718 496 HE1 HIS 61 HE1 HIS 61 -28.448 -32.527 12.049 497 H ARG 62 H ARG 62 -22.656 -31.451 7.672 498 HA ARG 62 HA ARG 62 -23.902 -33.947 6.754 499 HB2 ARG 62 HB3 ARG 62 -22.996 -31.559 5.646 500 HB3 ARG 62 HB2 ARG 62 -21.807 -32.742 5.099 501 HG2 ARG 62 HG3 ARG 62 -23.404 -34.020 3.963 502 HG3 ARG 62 HG2 ARG 62 -24.741 -33.375 4.916 503 HD2 ARG 62 HD3 ARG 62 -24.283 -31.114 3.837 504 HD3 ARG 62 HD2 ARG 62 -23.188 -31.962 2.727 505 HE ARG 62 HE ARG 62 -26.067 -32.739 3.032 506 HH11 ARG 62 HH11 ARG 62 -23.874 -34.310 1.476 507 HH12 ARG 62 HH12 ARG 62 -24.275 -33.852 -0.146 508 HH21 ARG 62 HH22 ARG 62 -26.308 -31.215 0.816 509 HH22 ARG 62 HH21 ARG 62 -25.652 -32.100 -0.520 510 H VAL 63 H VAL 63 -20.797 -32.917 8.009 511 HA VAL 63 HA VAL 63 -19.136 -35.009 7.006 512 HB VAL 63 HB VAL 63 -19.152 -33.266 9.474 513 HG11 VAL 63 HG11 VAL 63 -16.828 -34.029 9.877 514 HG12 VAL 63 HG12 VAL 63 -17.005 -35.219 8.588 515 HG13 VAL 63 HG13 VAL 63 -17.982 -35.351 10.051 516 HG21 VAL 63 HG21 VAL 63 -18.362 -32.954 6.750 517 HG22 VAL 63 HG22 VAL 63 -16.895 -32.959 7.731 518 HG23 VAL 63 HG23 VAL 63 -18.179 -31.798 8.069 519 H THR 64 H THR 64 -21.610 -35.008 9.456 520 HA THR 64 HA THR 64 -20.715 -37.293 10.974 521 HB THR 64 HB THR 64 -23.602 -36.577 10.587 522 HG1 THR 64 HG1 THR 64 -23.293 -34.722 11.801 523 HG21 THR 64 HG21 THR 64 -23.763 -37.668 12.544 524 HG22 THR 64 HG22 THR 64 -22.621 -36.547 13.285 525 HG23 THR 64 HG23 THR 64 -22.031 -37.999 12.475 526 H LEU 65 H LEU 65 -22.542 -36.909 7.990 527 HA LEU 65 HA LEU 65 -23.299 -39.768 7.917 528 HB2 LEU 65 HB3 LEU 65 -24.332 -37.365 6.962 529 HB3 LEU 65 HB2 LEU 65 -23.699 -38.146 5.512 530 HG LEU 65 HG LEU 65 -25.407 -39.653 7.493 531 HD11 LEU 65 HD11 LEU 65 -27.356 -38.865 6.578 532 HD12 LEU 65 HD12 LEU 65 -26.630 -38.608 4.992 533 HD13 LEU 65 HD13 LEU 65 -26.367 -37.435 6.284 534 HD21 LEU 65 HD21 LEU 65 -24.793 -41.307 6.075 535 HD22 LEU 65 HD22 LEU 65 -24.115 -40.161 4.920 536 HD23 LEU 65 HD23 LEU 65 -25.838 -40.533 4.884 537 H ALA 66 H ALA 66 -20.859 -37.623 6.602 538 HA ALA 66 HA ALA 66 -19.534 -39.964 5.329 539 HB1 ALA 66 HB1 ALA 66 -20.719 -37.559 4.017 540 HB2 ALA 66 HB2 ALA 66 -20.581 -39.210 3.412 541 HB3 ALA 66 HB3 ALA 66 -19.179 -38.140 3.383 542 H GLU 67 H GLU 67 -18.027 -39.595 7.153 543 HA GLU 67 HA GLU 67 -16.537 -37.040 7.197 544 HB2 GLU 67 HB3 GLU 67 -15.505 -38.060 9.179 545 HB3 GLU 67 HB2 GLU 67 -17.256 -38.263 9.248 546 HG2 GLU 67 HG3 GLU 67 -17.087 -40.547 8.467 547 HG3 GLU 67 HG2 GLU 67 -15.360 -40.362 8.162 548 H GLY 68 H GLY 68 -16.354 -38.874 4.826 549 HA2 GLY 68 HA3 GLY 68 -13.995 -40.406 4.765 550 HA3 GLY 68 HA2 GLY 68 -14.647 -39.557 3.363 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 48.128 7.075 -6.670 2 H2 ASP 1 H2 ASP 1 47.217 8.352 -6.017 3 H3 ASP 1 H3 ASP 1 46.598 7.436 -7.307 4 HA ASP 1 HA ASP 1 47.010 5.489 -5.529 5 HB2 ASP 1 HB3 ASP 1 47.571 7.826 -4.174 6 HB3 ASP 1 HB2 ASP 1 45.888 7.537 -3.731 7 H GLN 2 H GLN 2 44.757 5.229 -4.120 8 HA GLN 2 HA GLN 2 42.471 6.335 -5.672 9 HB2 GLN 2 HB3 GLN 2 43.273 3.425 -5.414 10 HB3 GLN 2 HB2 GLN 2 41.654 3.923 -5.906 11 HG2 GLN 2 HG3 GLN 2 42.823 5.356 -7.696 12 HG3 GLN 2 HG2 GLN 2 44.271 4.417 -7.331 13 HE21 GLN 2 HE22 GLN 2 44.241 3.340 -9.432 14 HE22 GLN 2 HE21 GLN 2 43.072 2.168 -9.808 15 H ASN 3 H ASN 3 40.353 5.344 -4.618 16 HA ASN 3 HA ASN 3 40.625 5.719 -1.686 17 HB2 ASN 3 HB3 ASN 3 38.754 6.347 -3.757 18 HB3 ASN 3 HB2 ASN 3 37.938 5.309 -2.587 19 HD21 ASN 3 HD22 ASN 3 38.134 6.024 -0.228 20 HD22 ASN 3 HD21 ASN 3 38.234 7.687 0.097 21 H HIS 4 H HIS 4 40.871 3.132 -3.690 22 HA HIS 4 HA HIS 4 40.678 0.806 -3.309 23 HB2 HIS 4 HB3 HIS 4 41.265 2.011 -0.933 24 HB3 HIS 4 HB2 HIS 4 39.739 1.224 -0.529 25 HD1 HIS 4 HD1 HIS 4 42.436 -0.071 -2.876 26 HD2 HIS 4 HD2 HIS 4 40.656 -1.069 0.760 27 HE1 HIS 4 HE1 HIS 4 43.353 -2.342 -2.229 28 H ILE 5 H ILE 5 38.983 -0.566 -3.789 29 HA ILE 5 HA ILE 5 36.246 0.493 -3.690 30 HB ILE 5 HB ILE 5 37.403 -2.150 -4.600 31 HG12 ILE 5 HG13 ILE 5 36.738 -0.673 -6.844 32 HG13 ILE 5 HG12 ILE 5 37.395 0.551 -5.757 33 HG21 ILE 5 HG21 ILE 5 35.295 -2.756 -5.117 34 HG22 ILE 5 HG22 ILE 5 35.046 -1.256 -6.010 35 HG23 ILE 5 HG23 ILE 5 34.719 -1.316 -4.278 36 HD11 ILE 5 HD11 ILE 5 39.412 -0.153 -6.539 37 HD12 ILE 5 HD12 ILE 5 38.760 -1.689 -7.109 38 HD13 ILE 5 HD13 ILE 5 39.188 -1.490 -5.410 39 H GLU 6 H GLU 6 38.032 -0.709 -1.358 40 HA GLU 6 HA GLU 6 36.527 -2.924 -0.288 41 HB2 GLU 6 HB3 GLU 6 38.905 -1.565 0.213 42 HB3 GLU 6 HB2 GLU 6 37.922 -1.211 1.634 43 HG2 GLU 6 HG3 GLU 6 37.705 -4.006 0.823 44 HG3 GLU 6 HG2 GLU 6 39.369 -3.550 1.191 45 H GLN 7 H GLN 7 35.557 -2.596 2.034 46 HA GLN 7 HA GLN 7 33.854 -1.650 3.377 47 HB2 GLN 7 HB3 GLN 7 34.505 0.912 1.902 48 HB3 GLN 7 HB2 GLN 7 33.916 0.733 3.555 49 HG2 GLN 7 HG3 GLN 7 36.094 -0.600 3.976 50 HG3 GLN 7 HG2 GLN 7 36.660 0.117 2.467 51 HE21 GLN 7 HE22 GLN 7 36.601 0.631 5.790 52 HE22 GLN 7 HE21 GLN 7 36.824 2.313 5.799 53 HA PRO 8 HA PRO 8 30.905 -2.000 -0.083 54 HB2 PRO 8 HB2 PRO 8 29.105 -3.513 1.320 55 HB3 PRO 8 HB3 PRO 8 30.516 -4.207 0.496 56 HG2 PRO 8 HG3 PRO 8 30.128 -3.578 3.380 57 HG3 PRO 8 HG2 PRO 8 30.946 -4.955 2.624 58 HD2 PRO 8 HD3 PRO 8 32.267 -2.821 3.690 59 HD3 PRO 8 HD2 PRO 8 32.912 -3.812 2.362 60 H PHE 9 H PHE 9 30.642 -0.861 3.196 61 HA PHE 9 HA PHE 9 27.964 0.325 2.782 62 HB2 PHE 9 HB3 PHE 9 29.126 -0.751 4.917 63 HB3 PHE 9 HB2 PHE 9 29.758 0.883 5.120 64 HD1 PHE 9 HD1 PHE 9 26.644 -1.121 4.808 65 HD2 PHE 9 HD2 PHE 9 28.354 2.685 5.827 66 HE1 PHE 9 HE1 PHE 9 24.465 -0.393 5.744 67 HE2 PHE 9 HE2 PHE 9 26.177 3.413 6.764 68 HZ PHE 9 HZ PHE 9 24.233 1.874 6.722 69 H TYR 10 H TYR 10 31.287 1.203 2.416 70 HA TYR 10 HA TYR 10 31.046 4.052 2.839 71 HB2 TYR 10 HB3 TYR 10 33.192 3.082 2.962 72 HB3 TYR 10 HB2 TYR 10 32.970 2.184 1.461 73 HD1 TYR 10 HD1 TYR 10 32.752 5.765 2.590 74 HD2 TYR 10 HD2 TYR 10 34.174 2.983 -0.358 75 HE1 TYR 10 HE1 TYR 10 33.780 7.633 1.324 76 HE2 TYR 10 HE2 TYR 10 35.201 4.852 -1.626 77 HH TYR 10 HH TYR 10 34.490 7.710 -1.584 78 H LEU 11 H LEU 11 30.194 1.924 0.225 79 HA LEU 11 HA LEU 11 30.244 3.949 -1.878 80 HB2 LEU 11 HB3 LEU 11 29.997 1.142 -1.593 81 HB3 LEU 11 HB2 LEU 11 28.519 1.690 -2.384 82 HG LEU 11 HG LEU 11 30.240 1.191 -4.062 83 HD11 LEU 11 HD11 LEU 11 30.061 3.216 -5.306 84 HD12 LEU 11 HD12 LEU 11 29.996 4.197 -3.842 85 HD13 LEU 11 HD13 LEU 11 28.627 3.174 -4.278 86 HD21 LEU 11 HD21 LEU 11 32.093 1.855 -2.316 87 HD22 LEU 11 HD22 LEU 11 31.897 3.467 -3.003 88 HD23 LEU 11 HD23 LEU 11 32.387 2.122 -4.034 89 H MET 12 H MET 12 27.637 2.264 -0.113 90 HA MET 12 HA MET 12 25.406 3.580 -1.189 91 HB2 MET 12 HB3 MET 12 26.159 2.251 1.365 92 HB3 MET 12 HB2 MET 12 24.690 3.226 1.401 93 HG2 MET 12 HG3 MET 12 23.567 1.838 -0.045 94 HG3 MET 12 HG2 MET 12 25.030 1.404 -0.928 95 HE1 MET 12 HE1 MET 12 25.536 -1.910 -0.136 96 HE2 MET 12 HE2 MET 12 25.218 -0.576 -1.252 97 HE3 MET 12 HE3 MET 12 23.882 -1.520 -0.598 98 H GLY 13 H GLY 13 27.832 4.812 1.017 99 HA2 GLY 13 HA3 GLY 13 28.055 6.900 2.075 100 HA3 GLY 13 HA2 GLY 13 27.256 7.523 0.631 101 H ARG 14 H ARG 14 25.763 8.956 1.511 102 HA ARG 14 HA ARG 14 24.095 8.039 3.794 103 HB2 ARG 14 HB3 ARG 14 23.343 10.521 3.582 104 HB3 ARG 14 HB2 ARG 14 24.977 10.195 4.147 105 HG2 ARG 14 HG3 ARG 14 24.765 12.006 2.368 106 HG3 ARG 14 HG2 ARG 14 25.920 10.724 2.012 107 HD2 ARG 14 HD3 ARG 14 24.287 9.607 0.561 108 HD3 ARG 14 HD2 ARG 14 23.063 10.825 0.973 109 HE ARG 14 HE ARG 14 25.380 12.206 0.091 110 HH11 ARG 14 HH11 ARG 14 22.491 10.719 -0.925 111 HH12 ARG 14 HH12 ARG 14 22.753 11.011 -2.612 112 HH21 ARG 14 HH22 ARG 14 25.940 12.305 -2.165 113 HH22 ARG 14 HH21 ARG 14 24.705 11.909 -3.314 114 H ASP 15 H ASP 15 23.747 6.962 1.037 115 HA ASP 15 HA ASP 15 21.639 8.043 -0.441 116 HB2 ASP 15 HB3 ASP 15 21.127 5.519 -0.826 117 HB3 ASP 15 HB2 ASP 15 22.725 6.118 -1.265 118 H LYS 16 H LYS 16 21.356 5.834 2.348 119 HA LYS 16 HA LYS 16 19.437 5.260 3.625 120 HB2 LYS 16 HB3 LYS 16 19.546 8.264 3.344 121 HB3 LYS 16 HB2 LYS 16 18.345 7.491 4.381 122 HG2 LYS 16 HG3 LYS 16 20.460 6.180 5.296 123 HG3 LYS 16 HG2 LYS 16 21.324 7.588 4.678 124 HD2 LYS 16 HD3 LYS 16 18.923 7.793 6.512 125 HD3 LYS 16 HD2 LYS 16 20.586 7.774 7.097 126 HE2 LYS 16 HE3 LYS 16 19.672 9.744 4.986 127 HE3 LYS 16 HE2 LYS 16 19.564 10.102 6.722 128 HZ1 LYS 16 HZ1 LYS 16 21.761 10.567 5.340 129 HZ2 LYS 16 HZ2 LYS 16 22.059 8.946 5.742 130 HZ3 LYS 16 HZ3 LYS 16 21.804 10.092 6.971 131 H ALA 17 H ALA 17 17.634 7.998 2.474 132 HA ALA 17 HA ALA 17 15.333 6.592 1.732 133 HB1 ALA 17 HB1 ALA 17 15.674 8.847 0.003 134 HB2 ALA 17 HB2 ALA 17 16.423 9.231 1.554 135 HB3 ALA 17 HB3 ALA 17 14.727 8.751 1.488 136 H LEU 18 H LEU 18 18.286 7.126 -0.093 137 HA LEU 18 HA LEU 18 17.170 6.145 -2.624 138 HB2 LEU 18 HB3 LEU 18 19.299 7.709 -1.818 139 HB3 LEU 18 HB2 LEU 18 20.090 6.186 -2.229 140 HG LEU 18 HG LEU 18 19.078 6.203 -4.443 141 HD11 LEU 18 HD11 LEU 18 17.302 8.101 -3.166 142 HD12 LEU 18 HD12 LEU 18 17.097 7.247 -4.694 143 HD13 LEU 18 HD13 LEU 18 17.963 8.782 -4.652 144 HD21 LEU 18 HD21 LEU 18 20.689 8.470 -3.440 145 HD22 LEU 18 HD22 LEU 18 19.897 8.759 -4.989 146 HD23 LEU 18 HD23 LEU 18 20.992 7.390 -4.800 147 H ALA 19 H ALA 19 18.853 4.850 0.166 148 HA ALA 19 HA ALA 19 19.607 2.329 -1.113 149 HB1 ALA 19 HB1 ALA 19 20.926 2.355 0.713 150 HB2 ALA 19 HB2 ALA 19 19.503 2.184 1.741 151 HB3 ALA 19 HB3 ALA 19 20.085 3.789 1.299 152 H VAL 20 H VAL 20 16.838 3.585 0.642 153 HA VAL 20 HA VAL 20 15.681 0.968 1.238 154 HB VAL 20 HB VAL 20 15.352 3.193 2.456 155 HG11 VAL 20 HG11 VAL 20 14.689 4.089 -0.072 156 HG12 VAL 20 HG12 VAL 20 14.325 4.936 1.431 157 HG13 VAL 20 HG13 VAL 20 13.112 3.893 0.689 158 HG21 VAL 20 HG21 VAL 20 13.286 1.221 1.659 159 HG22 VAL 20 HG22 VAL 20 12.671 2.719 2.356 160 HG23 VAL 20 HG23 VAL 20 13.803 1.721 3.269 161 H GLU 21 H GLU 21 15.622 3.217 -1.444 162 HA GLU 21 HA GLU 21 13.226 2.091 -2.694 163 HB2 GLU 21 HB3 GLU 21 14.730 4.408 -2.869 164 HB3 GLU 21 HB2 GLU 21 15.153 3.563 -4.359 165 HG2 GLU 21 HG3 GLU 21 13.244 4.690 -5.046 166 HG3 GLU 21 HG2 GLU 21 12.540 3.167 -4.499 167 H GLN 22 H GLN 22 16.580 1.283 -2.549 168 HA GLN 22 HA GLN 22 16.628 -0.196 -5.093 169 HB2 GLN 22 HB3 GLN 22 18.518 1.045 -3.707 170 HB3 GLN 22 HB2 GLN 22 18.626 -0.505 -2.874 171 HG2 GLN 22 HG3 GLN 22 18.570 -1.360 -5.445 172 HG3 GLN 22 HG2 GLN 22 19.364 0.201 -5.659 173 HE21 GLN 22 HE22 GLN 22 21.011 0.504 -3.529 174 HE22 GLN 22 HE21 GLN 22 22.091 -0.796 -3.373 175 H PHE 23 H PHE 23 16.458 -0.919 -1.624 176 HA PHE 23 HA PHE 23 16.434 -3.809 -1.981 177 HB2 PHE 23 HB3 PHE 23 16.048 -1.800 0.205 178 HB3 PHE 23 HB2 PHE 23 15.489 -3.449 0.493 179 HD1 PHE 23 HD2 PHE 23 18.440 -1.355 -0.304 180 HD2 PHE 23 HD1 PHE 23 17.038 -5.277 0.745 181 HE1 PHE 23 HE2 PHE 23 20.773 -2.069 0.143 182 HE2 PHE 23 HE1 PHE 23 19.370 -5.992 1.192 183 HZ PHE 23 HZ PHE 23 21.238 -4.388 0.891 184 H ILE 24 H ILE 24 14.048 -1.277 -2.101 185 HA ILE 24 HA ILE 24 11.787 -3.161 -1.734 186 HB ILE 24 HB ILE 24 12.096 -0.177 -2.145 187 HG12 ILE 24 HG13 ILE 24 12.612 -1.276 0.094 188 HG13 ILE 24 HG12 ILE 24 11.361 -0.033 0.141 189 HG21 ILE 24 HG21 ILE 24 10.040 -1.000 -3.281 190 HG22 ILE 24 HG22 ILE 24 9.668 0.003 -1.880 191 HG23 ILE 24 HG23 ILE 24 9.530 -1.751 -1.769 192 HD11 ILE 24 HD11 ILE 24 10.712 -2.966 -0.210 193 HD12 ILE 24 HD12 ILE 24 9.612 -1.656 0.219 194 HD13 ILE 24 HD13 ILE 24 10.823 -2.205 1.377 195 H SER 25 H SER 25 13.403 -1.292 -4.270 196 HA SER 25 HA SER 25 11.455 -1.622 -6.341 197 HB2 SER 25 HB3 SER 25 13.395 -0.052 -6.315 198 HB3 SER 25 HB2 SER 25 14.482 -1.427 -6.492 199 HG SER 25 HG SER 25 12.524 -0.460 -8.296 200 H ARG 26 H ARG 26 13.837 -3.800 -4.988 201 HA ARG 26 HA ARG 26 13.549 -5.710 -7.248 202 HB2 ARG 26 HB3 ARG 26 15.656 -4.942 -5.732 203 HB3 ARG 26 HB2 ARG 26 15.114 -6.336 -4.796 204 HG2 ARG 26 HG3 ARG 26 16.217 -7.636 -6.271 205 HG3 ARG 26 HG2 ARG 26 14.995 -7.187 -7.462 206 HD2 ARG 26 HD3 ARG 26 16.341 -5.262 -8.172 207 HD3 ARG 26 HD2 ARG 26 17.554 -5.632 -6.931 208 HE ARG 26 HE ARG 26 17.927 -7.813 -8.100 209 HH11 ARG 26 HH11 ARG 26 17.456 -4.966 -9.790 210 HH12 ARG 26 HH12 ARG 26 17.230 -5.707 -11.337 211 HH21 ARG 26 HH22 ARG 26 17.099 -8.933 -10.069 212 HH22 ARG 26 HH21 ARG 26 17.028 -7.954 -11.497 213 H PHE 27 H PHE 27 12.565 -5.252 -3.903 214 HA PHE 27 HA PHE 27 11.479 -8.006 -3.721 215 HB2 PHE 27 HB3 PHE 27 12.418 -5.925 -1.960 216 HB3 PHE 27 HB2 PHE 27 10.777 -6.396 -1.491 217 HD1 PHE 27 HD1 PHE 27 14.234 -7.494 -1.908 218 HD2 PHE 27 HD2 PHE 27 10.277 -8.628 -0.769 219 HE1 PHE 27 HE1 PHE 27 15.142 -9.568 -0.875 220 HE2 PHE 27 HE2 PHE 27 11.159 -10.712 0.271 221 HZ PHE 27 HZ PHE 27 13.598 -11.179 0.217 222 H ASN 28 H ASN 28 10.399 -4.681 -4.138 223 HA ASN 28 HA ASN 28 7.580 -5.232 -3.658 224 HB2 ASN 28 HB3 ASN 28 8.607 -3.030 -3.328 225 HB3 ASN 28 HB2 ASN 28 9.057 -2.970 -5.031 226 HD21 ASN 28 HD22 ASN 28 6.018 -3.722 -3.216 227 HD22 ASN 28 HD21 ASN 28 5.033 -2.727 -4.178 228 H SER 29 H SER 29 8.899 -3.877 -6.658 229 HA SER 29 HA SER 29 6.961 -4.649 -8.454 230 HB2 SER 29 HB3 SER 29 9.044 -3.328 -8.887 231 HB3 SER 29 HB2 SER 29 9.961 -4.830 -8.884 232 HG SER 29 HG SER 29 8.118 -5.379 -10.514 233 H GLY 30 H GLY 30 9.487 -6.730 -7.084 234 HA2 GLY 30 HA3 GLY 30 8.900 -8.983 -8.813 235 HA3 GLY 30 HA2 GLY 30 9.857 -9.044 -7.332 236 H TYR 31 H TYR 31 7.831 -7.918 -5.641 237 HA TYR 31 HA TYR 31 6.305 -10.324 -5.054 238 HB2 TYR 31 HB3 TYR 31 7.281 -8.600 -3.451 239 HB3 TYR 31 HB2 TYR 31 5.990 -7.513 -3.963 240 HD1 TYR 31 HD1 TYR 31 6.212 -11.164 -3.124 241 HD2 TYR 31 HD2 TYR 31 4.247 -7.412 -2.427 242 HE1 TYR 31 HE1 TYR 31 4.659 -12.274 -1.540 243 HE2 TYR 31 HE2 TYR 31 2.692 -8.519 -0.842 244 HH TYR 31 HH TYR 31 2.977 -12.004 -0.124 245 H ILE 32 H ILE 32 5.891 -8.105 -7.458 246 HA ILE 32 HA ILE 32 3.087 -7.427 -7.210 247 HB ILE 32 HB ILE 32 5.141 -7.486 -9.421 248 HG12 ILE 32 HG13 ILE 32 5.419 -5.731 -7.765 249 HG13 ILE 32 HG12 ILE 32 4.791 -5.002 -9.244 250 HG21 ILE 32 HG21 ILE 32 3.505 -7.394 -10.964 251 HG22 ILE 32 HG22 ILE 32 2.918 -5.913 -10.206 252 HG23 ILE 32 HG23 ILE 32 2.274 -7.476 -9.704 253 HD11 ILE 32 HD11 ILE 32 3.300 -5.632 -6.693 254 HD12 ILE 32 HD12 ILE 32 2.455 -5.346 -8.215 255 HD13 ILE 32 HD13 ILE 32 3.457 -4.077 -7.512 256 H LYS 33 H LYS 33 4.858 -10.168 -8.530 257 HA LYS 33 HA LYS 33 2.746 -11.302 -10.113 258 HB2 LYS 33 HB3 LYS 33 5.358 -11.768 -9.794 259 HB3 LYS 33 HB2 LYS 33 4.756 -12.991 -8.676 260 HG2 LYS 33 HG3 LYS 33 4.984 -13.997 -10.878 261 HG3 LYS 33 HG2 LYS 33 3.267 -13.851 -10.497 262 HD2 LYS 33 HD3 LYS 33 4.004 -11.410 -11.714 263 HD3 LYS 33 HD2 LYS 33 4.735 -12.683 -12.692 264 HE2 LYS 33 HE3 LYS 33 2.713 -13.185 -13.578 265 HE3 LYS 33 HE2 LYS 33 2.056 -13.471 -11.953 266 HZ1 LYS 33 HZ1 LYS 33 1.706 -11.134 -11.665 267 HZ2 LYS 33 HZ2 LYS 33 0.971 -11.592 -13.123 268 HZ3 LYS 33 HZ3 LYS 33 2.463 -10.779 -13.143 269 H ALA 34 H ALA 34 3.333 -11.192 -6.685 270 HA ALA 34 HA ALA 34 1.104 -13.155 -6.245 271 HB1 ALA 34 HB1 ALA 34 3.019 -14.125 -5.310 272 HB2 ALA 34 HB2 ALA 34 2.365 -13.249 -3.927 273 HB3 ALA 34 HB3 ALA 34 3.702 -12.564 -4.852 274 H SER 35 H SER 35 2.486 -10.022 -5.413 275 HA SER 35 HA SER 35 0.809 -9.312 -3.229 276 HB2 SER 35 HB3 SER 35 2.813 -8.080 -3.971 277 HB3 SER 35 HB2 SER 35 1.996 -7.639 -5.467 278 HG SER 35 HG SER 35 1.810 -6.549 -2.977 279 H GLN 36 H GLN 36 0.320 -8.977 -6.732 280 HA GLN 36 HA GLN 36 -2.193 -7.588 -6.595 281 HB2 GLN 36 HB3 GLN 36 -0.547 -7.958 -8.554 282 HB3 GLN 36 HB2 GLN 36 -1.321 -9.530 -8.742 283 HG2 GLN 36 HG3 GLN 36 -3.530 -8.366 -8.922 284 HG3 GLN 36 HG2 GLN 36 -2.678 -6.823 -8.879 285 HE21 GLN 36 HE22 GLN 36 -0.605 -6.999 -10.565 286 HE22 GLN 36 HE21 GLN 36 -1.066 -7.508 -12.117 287 H GLU 37 H GLU 37 -1.382 -11.025 -6.997 288 HA GLU 37 HA GLU 37 -4.015 -12.077 -7.096 289 HB2 GLU 37 HB3 GLU 37 -1.359 -13.121 -6.084 290 HB3 GLU 37 HB2 GLU 37 -2.791 -14.142 -6.196 291 HG2 GLU 37 HG3 GLU 37 -2.914 -13.901 -8.557 292 HG3 GLU 37 HG2 GLU 37 -1.791 -12.541 -8.552 293 H LEU 38 H LEU 38 -2.030 -11.057 -4.362 294 HA LEU 38 HA LEU 38 -3.669 -12.243 -2.293 295 HB2 LEU 38 HB3 LEU 38 -1.426 -10.326 -2.591 296 HB3 LEU 38 HB2 LEU 38 -2.393 -10.131 -1.129 297 HG LEU 38 HG LEU 38 -0.428 -11.730 -0.918 298 HD11 LEU 38 HD11 LEU 38 -2.870 -11.761 0.264 299 HD12 LEU 38 HD12 LEU 38 -1.586 -12.899 0.674 300 HD13 LEU 38 HD13 LEU 38 -2.857 -13.372 -0.454 301 HD21 LEU 38 HD21 LEU 38 -0.290 -13.615 -2.201 302 HD22 LEU 38 HD22 LEU 38 -1.296 -12.693 -3.317 303 HD23 LEU 38 HD23 LEU 38 -2.038 -13.853 -2.215 304 H VAL 39 H VAL 39 -3.780 -9.239 -4.114 305 HA VAL 39 HA VAL 39 -5.609 -7.822 -2.383 306 HB VAL 39 HB VAL 39 -4.759 -7.649 -5.277 307 HG11 VAL 39 HG11 VAL 39 -6.582 -6.398 -5.715 308 HG12 VAL 39 HG12 VAL 39 -5.987 -5.226 -4.539 309 HG13 VAL 39 HG13 VAL 39 -7.109 -6.490 -4.034 310 HG21 VAL 39 HG21 VAL 39 -3.183 -7.012 -3.419 311 HG22 VAL 39 HG22 VAL 39 -4.340 -5.776 -2.929 312 HG23 VAL 39 HG23 VAL 39 -3.565 -5.680 -4.510 313 H SER 40 H SER 40 -5.998 -10.336 -4.769 314 HA SER 40 HA SER 40 -8.795 -9.834 -5.368 315 HB2 SER 40 HB3 SER 40 -6.806 -11.288 -6.471 316 HB3 SER 40 HB2 SER 40 -7.600 -12.560 -5.547 317 HG SER 40 HG SER 40 -9.594 -11.733 -6.554 318 H TYR 41 H TYR 41 -7.058 -11.529 -2.840 319 HA TYR 41 HA TYR 41 -9.349 -13.080 -1.903 320 HB2 TYR 41 HB3 TYR 41 -6.692 -13.299 -1.646 321 HB3 TYR 41 HB2 TYR 41 -7.007 -12.376 -0.177 322 HD1 TYR 41 HD1 TYR 41 -8.607 -13.261 1.538 323 HD2 TYR 41 HD2 TYR 41 -7.343 -15.597 -1.839 324 HE1 TYR 41 HE1 TYR 41 -9.402 -15.321 2.665 325 HE2 TYR 41 HE2 TYR 41 -8.140 -17.657 -0.710 326 HH TYR 41 HH TYR 41 -9.608 -17.521 2.540 327 H THR 42 H THR 42 -8.064 -9.874 -1.367 328 HA THR 42 HA THR 42 -9.759 -9.455 1.032 329 HB THR 42 HB THR 42 -7.275 -8.724 0.569 330 HG1 THR 42 HG1 THR 42 -8.462 -8.125 2.399 331 HG21 THR 42 HG21 THR 42 -7.645 -7.574 -1.534 332 HG22 THR 42 HG22 THR 42 -7.171 -6.388 -0.318 333 HG23 THR 42 HG23 THR 42 -8.862 -6.534 -0.795 334 H ILE 43 H ILE 43 -9.357 -8.226 -2.276 335 HA ILE 43 HA ILE 43 -11.180 -6.151 -2.409 336 HB ILE 43 HB ILE 43 -9.728 -7.385 -4.190 337 HG12 ILE 43 HG13 ILE 43 -12.456 -6.218 -4.810 338 HG13 ILE 43 HG12 ILE 43 -10.930 -5.340 -4.700 339 HG21 ILE 43 HG21 ILE 43 -11.047 -8.867 -5.673 340 HG22 ILE 43 HG22 ILE 43 -12.392 -8.789 -4.534 341 HG23 ILE 43 HG23 ILE 43 -10.874 -9.548 -4.056 342 HD11 ILE 43 HD11 ILE 43 -10.913 -5.635 -6.967 343 HD12 ILE 43 HD12 ILE 43 -11.980 -7.038 -6.894 344 HD13 ILE 43 HD13 ILE 43 -10.260 -7.217 -6.540 345 H LYS 44 H LYS 44 -11.955 -9.616 -2.540 346 HA LYS 44 HA LYS 44 -14.857 -9.052 -2.523 347 HB2 LYS 44 HB3 LYS 44 -13.095 -11.092 -3.408 348 HB3 LYS 44 HB2 LYS 44 -14.122 -11.816 -2.171 349 HG2 LYS 44 HG3 LYS 44 -15.703 -10.118 -3.894 350 HG3 LYS 44 HG2 LYS 44 -14.811 -11.296 -4.858 351 HD2 LYS 44 HD3 LYS 44 -15.620 -13.052 -3.164 352 HD3 LYS 44 HD2 LYS 44 -16.755 -11.820 -2.607 353 HE2 LYS 44 HE3 LYS 44 -17.449 -11.589 -5.088 354 HE3 LYS 44 HE2 LYS 44 -16.609 -13.135 -5.326 355 HZ1 LYS 44 HZ1 LYS 44 -18.428 -12.842 -3.041 356 HZ2 LYS 44 HZ2 LYS 44 -18.023 -14.235 -3.920 357 HZ3 LYS 44 HZ3 LYS 44 -19.100 -13.098 -4.579 358 H LEU 45 H LEU 45 -12.915 -8.540 -0.197 359 HA LEU 45 HA LEU 45 -14.714 -9.285 1.942 360 HB2 LEU 45 HB3 LEU 45 -13.224 -11.364 1.052 361 HB3 LEU 45 HB2 LEU 45 -12.108 -10.688 2.238 362 HG LEU 45 HG LEU 45 -14.621 -10.647 3.493 363 HD11 LEU 45 HD11 LEU 45 -14.428 -13.477 2.954 364 HD12 LEU 45 HD12 LEU 45 -14.665 -12.596 1.445 365 HD13 LEU 45 HD13 LEU 45 -15.818 -12.410 2.766 366 HD21 LEU 45 HD21 LEU 45 -12.969 -11.192 4.967 367 HD22 LEU 45 HD22 LEU 45 -12.017 -12.025 3.737 368 HD23 LEU 45 HD23 LEU 45 -13.362 -12.853 4.523 369 H SER 46 H SER 46 -13.910 -6.811 1.593 370 HA SER 46 HA SER 46 -12.522 -6.014 3.926 371 HB2 SER 46 HB3 SER 46 -10.505 -6.930 3.218 372 HB3 SER 46 HB2 SER 46 -10.874 -6.680 1.514 373 HG SER 46 HG SER 46 -10.363 -4.554 1.716 374 H HIS 47 H HIS 47 -13.014 -3.861 4.159 375 HA HIS 47 HA HIS 47 -13.576 -1.637 3.581 376 HB2 HIS 47 HB3 HIS 47 -11.694 -2.649 1.670 377 HB3 HIS 47 HB2 HIS 47 -12.861 -1.636 0.823 378 HD1 HIS 47 HD1 HIS 47 -9.841 -1.418 2.804 379 HD2 HIS 47 HD2 HIS 47 -13.175 1.019 2.229 380 HE1 HIS 47 HE1 HIS 47 -9.188 0.893 3.608 381 H ASP 48 H ASP 48 -15.254 -4.129 2.892 382 HA ASP 48 HA ASP 48 -17.124 -2.776 0.970 383 HB2 ASP 48 HB3 ASP 48 -15.779 -4.932 0.368 384 HB3 ASP 48 HB2 ASP 48 -16.940 -5.743 1.417 385 HA PRO 49 HA PRO 49 -19.054 -3.918 5.156 386 HB2 PRO 49 HB2 PRO 49 -19.240 -1.398 6.210 387 HB3 PRO 49 HB3 PRO 49 -17.845 -2.461 6.488 388 HG2 PRO 49 HG3 PRO 49 -18.145 -0.189 4.586 389 HG3 PRO 49 HG2 PRO 49 -16.748 -0.666 5.565 390 HD2 PRO 49 HD3 PRO 49 -16.966 -1.215 2.904 391 HD3 PRO 49 HD2 PRO 49 -16.044 -2.226 4.038 392 H ILE 50 H ILE 50 -19.514 -1.167 2.976 393 HA ILE 50 HA ILE 50 -22.260 -0.629 3.528 394 HB ILE 50 HB ILE 50 -20.451 -0.318 1.130 395 HG12 ILE 50 HG13 ILE 50 -21.420 2.142 2.105 396 HG13 ILE 50 HG12 ILE 50 -21.059 1.179 3.539 397 HG21 ILE 50 HG21 ILE 50 -23.247 0.816 1.422 398 HG22 ILE 50 HG22 ILE 50 -22.852 -0.578 0.416 399 HG23 ILE 50 HG23 ILE 50 -22.165 1.003 0.042 400 HD11 ILE 50 HD11 ILE 50 -18.833 1.333 3.194 401 HD12 ILE 50 HD12 ILE 50 -19.204 2.581 2.006 402 HD13 ILE 50 HD13 ILE 50 -18.996 0.908 1.490 403 H GLU 51 H GLU 51 -20.711 -2.974 1.373 404 HA GLU 51 HA GLU 51 -23.235 -3.873 0.195 405 HB2 GLU 51 HB3 GLU 51 -20.558 -3.961 -0.445 406 HB3 GLU 51 HB2 GLU 51 -20.859 -5.618 0.082 407 HG2 GLU 51 HG3 GLU 51 -22.907 -5.587 -1.444 408 HG3 GLU 51 HG2 GLU 51 -22.260 -4.092 -2.120 409 H TYR 52 H TYR 52 -21.357 -4.623 3.023 410 HA TYR 52 HA TYR 52 -22.636 -7.264 3.413 411 HB2 TYR 52 HB3 TYR 52 -20.245 -5.936 4.167 412 HB3 TYR 52 HB2 TYR 52 -21.132 -6.251 5.658 413 HD1 TYR 52 HD2 TYR 52 -20.483 -8.027 2.408 414 HD2 TYR 52 HD1 TYR 52 -20.656 -8.275 6.692 415 HE1 TYR 52 HE2 TYR 52 -19.826 -10.416 2.295 416 HE2 TYR 52 HE1 TYR 52 -20.000 -10.664 6.580 417 HH TYR 52 HH TYR 52 -18.684 -12.083 3.874 418 H LEU 53 H LEU 53 -22.974 -3.942 4.496 419 HA LEU 53 HA LEU 53 -24.530 -4.498 6.875 420 HB2 LEU 53 HB3 LEU 53 -23.243 -2.362 5.821 421 HB3 LEU 53 HB2 LEU 53 -24.896 -1.975 5.344 422 HG LEU 53 HG LEU 53 -24.296 -2.835 8.164 423 HD11 LEU 53 HD11 LEU 53 -24.505 -0.006 8.059 424 HD12 LEU 53 HD12 LEU 53 -23.285 -0.471 6.874 425 HD13 LEU 53 HD13 LEU 53 -23.111 -0.963 8.558 426 HD21 LEU 53 HD21 LEU 53 -26.608 -2.176 6.731 427 HD22 LEU 53 HD22 LEU 53 -26.262 -0.734 7.686 428 HD23 LEU 53 HD23 LEU 53 -26.468 -2.293 8.486 429 H LEU 54 H LEU 54 -25.309 -3.954 3.470 430 HA LEU 54 HA LEU 54 -28.174 -3.725 3.839 431 HB2 LEU 54 HB3 LEU 54 -26.200 -3.607 1.766 432 HB3 LEU 54 HB2 LEU 54 -27.466 -4.725 1.255 433 HG LEU 54 HG LEU 54 -28.816 -2.558 2.442 434 HD11 LEU 54 HD11 LEU 54 -26.360 -1.747 0.940 435 HD12 LEU 54 HD12 LEU 54 -27.149 -0.960 2.307 436 HD13 LEU 54 HD13 LEU 54 -27.833 -0.809 0.688 437 HD21 LEU 54 HD21 LEU 54 -28.633 -2.409 -0.462 438 HD22 LEU 54 HD22 LEU 54 -30.015 -2.837 0.547 439 HD23 LEU 54 HD23 LEU 54 -28.844 -4.071 0.086 440 H GLU 55 H GLU 55 -25.942 -6.412 3.390 441 HA GLU 55 HA GLU 55 -27.953 -8.406 2.765 442 HB2 GLU 55 HB3 GLU 55 -25.315 -8.281 2.495 443 HB3 GLU 55 HB2 GLU 55 -25.334 -9.016 4.098 444 HG2 GLU 55 HG3 GLU 55 -26.928 -10.756 3.166 445 HG3 GLU 55 HG2 GLU 55 -26.590 -10.097 1.565 446 H GLN 56 H GLN 56 -26.550 -7.121 5.734 447 HA GLN 56 HA GLN 56 -27.519 -9.175 7.516 448 HB2 GLN 56 HB3 GLN 56 -25.716 -7.667 8.121 449 HB3 GLN 56 HB2 GLN 56 -26.748 -6.260 7.862 450 HG2 GLN 56 HG3 GLN 56 -28.062 -6.723 9.770 451 HG3 GLN 56 HG2 GLN 56 -27.490 -8.390 9.866 452 HE21 GLN 56 HE22 GLN 56 -26.326 -8.470 11.813 453 HE22 GLN 56 HE21 GLN 56 -25.091 -7.385 12.237 454 H ILE 57 H ILE 57 -28.954 -6.299 6.093 455 HA ILE 57 HA ILE 57 -31.277 -6.330 7.893 456 HB ILE 57 HB ILE 57 -29.924 -4.509 6.233 457 HG12 ILE 57 HG13 ILE 57 -30.910 -3.868 8.317 458 HG13 ILE 57 HG12 ILE 57 -31.754 -2.949 7.070 459 HG21 ILE 57 HG21 ILE 57 -32.686 -5.142 5.188 460 HG22 ILE 57 HG22 ILE 57 -31.174 -5.111 4.281 461 HG23 ILE 57 HG23 ILE 57 -31.873 -3.607 4.883 462 HD11 ILE 57 HD11 ILE 57 -32.734 -5.232 8.733 463 HD12 ILE 57 HD12 ILE 57 -33.355 -5.079 7.089 464 HD13 ILE 57 HD13 ILE 57 -33.574 -3.762 8.240 465 H GLN 58 H GLN 58 -30.374 -7.603 4.761 466 HA GLN 58 HA GLN 58 -33.100 -8.183 3.884 467 HB2 GLN 58 HB3 GLN 58 -30.538 -8.018 2.792 468 HB3 GLN 58 HB2 GLN 58 -30.918 -9.739 2.710 469 HG2 GLN 58 HG3 GLN 58 -32.849 -7.607 1.777 470 HG3 GLN 58 HG2 GLN 58 -31.656 -8.338 0.704 471 HE21 GLN 58 HE22 GLN 58 -34.002 -8.954 -0.265 472 HE22 GLN 58 HE21 GLN 58 -34.579 -10.476 0.218 473 H ASN 59 H ASN 59 -30.617 -9.811 5.749 474 HA ASN 59 HA ASN 59 -31.920 -12.448 5.568 475 HB2 ASN 59 HB3 ASN 59 -29.373 -11.603 5.893 476 HB3 ASN 59 HB2 ASN 59 -29.822 -11.819 7.585 477 HD21 ASN 59 HD22 ASN 59 -27.899 -13.528 6.272 478 HD22 ASN 59 HD21 ASN 59 -28.560 -15.090 6.189 479 H LEU 60 H LEU 60 -31.631 -9.781 7.872 480 HA LEU 60 HA LEU 60 -32.922 -11.182 10.072 481 HB2 LEU 60 HB3 LEU 60 -31.430 -8.874 9.660 482 HB3 LEU 60 HB2 LEU 60 -33.036 -8.252 10.043 483 HG LEU 60 HG LEU 60 -31.606 -8.604 12.071 484 HD11 LEU 60 HD11 LEU 60 -33.577 -8.883 13.120 485 HD12 LEU 60 HD12 LEU 60 -33.576 -10.595 12.698 486 HD13 LEU 60 HD13 LEU 60 -34.295 -9.417 11.601 487 HD21 LEU 60 HD21 LEU 60 -30.599 -10.597 12.513 488 HD22 LEU 60 HD22 LEU 60 -30.849 -10.921 10.798 489 HD23 LEU 60 HD23 LEU 60 -32.002 -11.525 11.986 490 H HIS 61 H HIS 61 -34.009 -9.300 7.324 491 HA HIS 61 HA HIS 61 -36.508 -8.338 8.083 492 HB2 HIS 61 HB3 HIS 61 -35.099 -8.627 5.783 493 HB3 HIS 61 HB2 HIS 61 -36.358 -9.832 5.519 494 HD1 HIS 61 HD1 HIS 61 -36.077 -6.951 4.069 495 HD2 HIS 61 HD2 HIS 61 -38.743 -7.960 7.110 496 HE1 HIS 61 HE1 HIS 61 -38.001 -5.312 3.906 497 H ARG 62 H ARG 62 -35.571 -11.683 7.447 498 HA ARG 62 HA ARG 62 -38.232 -12.799 7.424 499 HB2 ARG 62 HB3 ARG 62 -35.633 -13.613 6.934 500 HB3 ARG 62 HB2 ARG 62 -36.037 -14.489 8.409 501 HG2 ARG 62 HG3 ARG 62 -38.330 -14.818 6.953 502 HG3 ARG 62 HG2 ARG 62 -37.109 -14.812 5.679 503 HD2 ARG 62 HD3 ARG 62 -35.891 -16.422 7.519 504 HD3 ARG 62 HD2 ARG 62 -37.598 -16.825 7.796 505 HE ARG 62 HE ARG 62 -37.517 -16.855 5.090 506 HH11 ARG 62 HH22 ARG 62 -35.736 -18.384 7.597 507 HH12 ARG 62 HH21 ARG 62 -35.032 -19.578 6.559 508 HH21 ARG 62 HH11 ARG 62 -36.451 -18.289 3.670 509 HH22 ARG 62 HH12 ARG 62 -35.436 -19.524 4.336 510 H VAL 63 H VAL 63 -35.992 -11.906 9.974 511 HA VAL 63 HA VAL 63 -37.176 -13.459 12.099 512 HB VAL 63 HB VAL 63 -35.453 -10.985 11.905 513 HG11 VAL 63 HG11 VAL 63 -35.102 -11.215 14.360 514 HG12 VAL 63 HG12 VAL 63 -36.373 -12.438 14.404 515 HG13 VAL 63 HG13 VAL 63 -36.763 -10.775 13.963 516 HG21 VAL 63 HG21 VAL 63 -35.044 -13.853 11.949 517 HG22 VAL 63 HG22 VAL 63 -34.218 -13.095 13.311 518 HG23 VAL 63 HG23 VAL 63 -33.867 -12.571 11.665 519 H THR 64 H THR 64 -38.412 -10.878 10.318 520 HA THR 64 HA THR 64 -39.717 -9.287 12.308 521 HB THR 64 HB THR 64 -40.222 -9.960 9.406 522 HG1 THR 64 HG1 THR 64 -39.677 -7.416 10.367 523 HG21 THR 64 HG21 THR 64 -42.388 -9.367 9.931 524 HG22 THR 64 HG22 THR 64 -41.700 -7.761 9.691 525 HG23 THR 64 HG23 THR 64 -41.898 -8.401 11.323 526 H LEU 65 H LEU 65 -40.364 -12.486 11.121 527 HA LEU 65 HA LEU 65 -43.176 -12.463 12.049 528 HB2 LEU 65 HB3 LEU 65 -41.912 -13.653 9.983 529 HB3 LEU 65 HB2 LEU 65 -41.771 -14.941 11.179 530 HG LEU 65 HG LEU 65 -44.306 -13.632 10.171 531 HD11 LEU 65 HD11 LEU 65 -44.794 -15.706 9.226 532 HD12 LEU 65 HD12 LEU 65 -43.752 -16.577 10.350 533 HD13 LEU 65 HD13 LEU 65 -43.042 -15.647 9.030 534 HD21 LEU 65 HD21 LEU 65 -45.407 -15.254 11.811 535 HD22 LEU 65 HD22 LEU 65 -44.622 -13.850 12.535 536 HD23 LEU 65 HD23 LEU 65 -43.823 -15.422 12.564 537 H ALA 66 H ALA 66 -40.041 -13.859 12.935 538 HA ALA 66 HA ALA 66 -40.539 -14.007 15.714 539 HB1 ALA 66 HB1 ALA 66 -40.801 -16.787 15.104 540 HB2 ALA 66 HB2 ALA 66 -41.984 -15.913 14.132 541 HB3 ALA 66 HB3 ALA 66 -41.982 -15.735 15.887 542 H GLU 67 H GLU 67 -38.355 -13.784 16.137 543 HA GLU 67 HA GLU 67 -36.557 -15.969 16.048 544 HB2 GLU 67 HB3 GLU 67 -37.045 -14.670 13.523 545 HB3 GLU 67 HB2 GLU 67 -35.362 -14.419 13.987 546 HG2 GLU 67 HG3 GLU 67 -36.189 -17.144 14.549 547 HG3 GLU 67 HG2 GLU 67 -36.455 -16.742 12.851 548 H GLY 68 H GLY 68 -36.816 -14.262 18.049 549 HA2 GLY 68 HA3 GLY 68 -34.262 -12.782 18.060 550 HA3 GLY 68 HA2 GLY 68 -35.713 -11.818 18.338 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 49.903 3.736 10.060 2 H2 ASP 1 H2 ASP 1 49.317 5.146 10.807 3 H3 ASP 1 H3 ASP 1 50.901 4.615 11.113 4 HA ASP 1 HA ASP 1 51.125 6.403 9.598 5 HB2 ASP 1 HB3 ASP 1 52.142 5.167 7.740 6 HB3 ASP 1 HB2 ASP 1 52.425 4.298 9.248 7 H GLN 2 H GLN 2 48.438 4.276 8.920 8 HA GLN 2 HA GLN 2 46.438 4.718 7.657 9 HB2 GLN 2 HB3 GLN 2 47.593 7.206 8.419 10 HB3 GLN 2 HB2 GLN 2 47.082 7.365 6.738 11 HG2 GLN 2 HG3 GLN 2 44.857 6.352 7.439 12 HG3 GLN 2 HG2 GLN 2 45.389 6.544 9.110 13 HE21 GLN 2 HE22 GLN 2 46.733 9.046 8.920 14 HE22 GLN 2 HE21 GLN 2 45.599 10.248 8.533 15 H ASN 3 H ASN 3 49.105 6.497 6.080 16 HA ASN 3 HA ASN 3 50.040 6.210 3.878 17 HB2 ASN 3 HB3 ASN 3 49.277 3.691 4.851 18 HB3 ASN 3 HB2 ASN 3 48.570 3.776 3.237 19 HD21 ASN 3 HD22 ASN 3 50.559 1.953 3.373 20 HD22 ASN 3 HD21 ASN 3 52.007 2.536 2.706 21 H HIS 4 H HIS 4 46.926 6.881 4.610 22 HA HIS 4 HA HIS 4 46.279 7.563 1.800 23 HB2 HIS 4 HB3 HIS 4 45.189 5.319 3.316 24 HB3 HIS 4 HB2 HIS 4 43.921 6.414 2.765 25 HD1 HIS 4 HD1 HIS 4 47.098 4.954 1.207 26 HD2 HIS 4 HD2 HIS 4 43.118 5.714 0.229 27 HE1 HIS 4 HE1 HIS 4 46.780 4.154 -1.175 28 H ILE 5 H ILE 5 45.534 9.639 1.888 29 HA ILE 5 HA ILE 5 44.231 10.582 4.409 30 HB ILE 5 HB ILE 5 45.607 12.065 2.159 31 HG12 ILE 5 HG13 ILE 5 47.081 12.368 4.504 32 HG13 ILE 5 HG12 ILE 5 46.598 10.672 4.533 33 HG21 ILE 5 HG21 ILE 5 43.894 12.951 4.278 34 HG22 ILE 5 HG22 ILE 5 44.745 13.928 3.082 35 HG23 ILE 5 HG23 ILE 5 45.528 13.525 4.610 36 HD11 ILE 5 HD11 ILE 5 47.335 11.123 1.879 37 HD12 ILE 5 HD12 ILE 5 48.296 10.283 3.097 38 HD13 ILE 5 HD13 ILE 5 48.539 12.007 2.816 39 H GLU 6 H GLU 6 43.272 9.362 1.643 40 HA GLU 6 HA GLU 6 41.332 11.441 0.823 41 HB2 GLU 6 HB3 GLU 6 41.918 8.638 -0.190 42 HB3 GLU 6 HB2 GLU 6 40.896 9.825 -1.000 43 HG2 GLU 6 HG3 GLU 6 42.983 11.373 -0.881 44 HG3 GLU 6 HG2 GLU 6 43.879 9.882 -0.591 45 H GLN 7 H GLN 7 39.017 10.715 0.549 46 HA GLN 7 HA GLN 7 38.192 8.692 2.590 47 HB2 GLN 7 HB3 GLN 7 36.502 10.275 3.368 48 HB3 GLN 7 HB2 GLN 7 38.091 11.043 3.432 49 HG2 GLN 7 HG3 GLN 7 37.333 11.615 0.882 50 HG3 GLN 7 HG2 GLN 7 35.777 11.650 1.711 51 HE21 GLN 7 HE22 GLN 7 39.120 12.963 2.009 52 HE22 GLN 7 HE21 GLN 7 38.646 14.405 2.769 53 HA PRO 8 HA PRO 8 36.073 8.162 -1.516 54 HB2 PRO 8 HB2 PRO 8 36.681 5.509 -1.806 55 HB3 PRO 8 HB3 PRO 8 37.745 6.813 -2.373 56 HG2 PRO 8 HG3 PRO 8 37.935 5.150 0.087 57 HG3 PRO 8 HG2 PRO 8 39.219 5.742 -0.979 58 HD2 PRO 8 HD3 PRO 8 38.606 6.875 1.430 59 HD3 PRO 8 HD2 PRO 8 39.339 7.767 0.078 60 H PHE 9 H PHE 9 35.900 6.912 1.645 61 HA PHE 9 HA PHE 9 33.481 5.266 1.108 62 HB2 PHE 9 HB3 PHE 9 35.599 4.877 2.711 63 HB3 PHE 9 HB2 PHE 9 34.583 5.775 3.838 64 HD1 PHE 9 HD2 PHE 9 32.179 4.970 4.209 65 HD2 PHE 9 HD1 PHE 9 35.176 2.597 2.249 66 HE1 PHE 9 HE2 PHE 9 30.832 2.930 4.620 67 HE2 PHE 9 HE1 PHE 9 33.829 0.556 2.661 68 HZ PHE 9 HZ PHE 9 31.657 0.722 3.846 69 H TYR 10 H TYR 10 34.437 8.384 2.369 70 HA TYR 10 HA TYR 10 32.135 8.988 3.960 71 HB2 TYR 10 HB3 TYR 10 34.062 10.335 4.167 72 HB3 TYR 10 HB2 TYR 10 34.193 10.569 2.424 73 HD1 TYR 10 HD2 TYR 10 32.002 11.314 5.360 74 HD2 TYR 10 HD1 TYR 10 33.185 12.432 1.385 75 HE1 TYR 10 HE2 TYR 10 30.646 13.382 5.539 76 HE2 TYR 10 HE1 TYR 10 31.829 14.500 1.564 77 HH TYR 10 HH TYR 10 30.153 15.499 2.774 78 H LEU 11 H LEU 11 32.680 8.991 0.492 79 HA LEU 11 HA LEU 11 30.469 10.675 -0.266 80 HB2 LEU 11 HB3 LEU 11 32.581 9.200 -1.443 81 HB3 LEU 11 HB2 LEU 11 31.093 8.612 -2.185 82 HG LEU 11 HG LEU 11 31.578 11.567 -1.868 83 HD11 LEU 11 HD11 LEU 11 33.488 10.293 -3.100 84 HD12 LEU 11 HD12 LEU 11 32.765 11.691 -3.896 85 HD13 LEU 11 HD13 LEU 11 32.295 10.061 -4.377 86 HD21 LEU 11 HD21 LEU 11 29.986 11.718 -3.678 87 HD22 LEU 11 HD22 LEU 11 29.322 10.596 -2.490 88 HD23 LEU 11 HD23 LEU 11 30.069 9.979 -3.964 89 H MET 12 H MET 12 30.812 7.122 -0.194 90 HA MET 12 HA MET 12 27.975 6.682 -0.730 91 HB2 MET 12 HB3 MET 12 30.390 5.022 -0.021 92 HB3 MET 12 HB2 MET 12 28.788 4.287 -0.071 93 HG2 MET 12 HG3 MET 12 28.502 5.129 -2.394 94 HG3 MET 12 HG2 MET 12 30.142 5.774 -2.340 95 HE1 MET 12 HE1 MET 12 32.233 3.993 -1.444 96 HE2 MET 12 HE2 MET 12 32.017 4.746 -3.029 97 HE3 MET 12 HE3 MET 12 32.466 3.047 -2.911 98 H GLY 13 H GLY 13 29.779 7.465 2.059 99 HA2 GLY 13 HA3 GLY 13 28.296 5.961 4.025 100 HA3 GLY 13 HA2 GLY 13 29.275 7.391 4.354 101 H ARG 14 H ARG 14 27.882 9.158 2.549 102 HA ARG 14 HA ARG 14 25.588 9.824 4.262 103 HB2 ARG 14 HB3 ARG 14 27.184 11.506 3.415 104 HB3 ARG 14 HB2 ARG 14 26.758 11.083 1.757 105 HG2 ARG 14 HG3 ARG 14 24.823 12.269 1.824 106 HG3 ARG 14 HG2 ARG 14 24.442 11.722 3.458 107 HD2 ARG 14 HD3 ARG 14 26.730 13.412 3.663 108 HD3 ARG 14 HD2 ARG 14 25.530 14.254 2.662 109 HE ARG 14 HE ARG 14 25.008 13.203 5.410 110 HH11 ARG 14 HH11 ARG 14 25.046 16.095 4.008 111 HH12 ARG 14 HH12 ARG 14 23.365 16.475 4.180 112 HH21 ARG 14 HH22 ARG 14 22.453 13.246 5.054 113 HH22 ARG 14 HH21 ARG 14 21.897 14.862 4.772 114 H ASP 15 H ASP 15 26.146 8.324 1.149 115 HA ASP 15 HA ASP 15 23.321 8.615 0.314 116 HB2 ASP 15 HB3 ASP 15 25.436 8.754 -1.151 117 HB3 ASP 15 HB2 ASP 15 25.529 7.001 -0.978 118 H LYS 16 H LYS 16 25.178 6.472 2.201 119 HA LYS 16 HA LYS 16 24.362 3.891 1.641 120 HB2 LYS 16 HB3 LYS 16 25.687 5.031 3.624 121 HB3 LYS 16 HB2 LYS 16 24.128 4.941 4.443 122 HG2 LYS 16 HG3 LYS 16 24.641 2.438 3.124 123 HG3 LYS 16 HG2 LYS 16 26.032 2.863 4.123 124 HD2 LYS 16 HD3 LYS 16 24.658 3.090 6.084 125 HD3 LYS 16 HD2 LYS 16 23.178 2.967 5.130 126 HE2 LYS 16 HE3 LYS 16 25.224 0.733 5.199 127 HE3 LYS 16 HE2 LYS 16 23.877 0.823 6.351 128 HZ1 LYS 16 HZ1 LYS 16 23.231 -0.432 4.388 129 HZ2 LYS 16 HZ2 LYS 16 23.637 0.876 3.387 130 HZ3 LYS 16 HZ3 LYS 16 22.346 1.015 4.482 131 H ALA 17 H ALA 17 22.552 5.846 4.016 132 HA ALA 17 HA ALA 17 20.218 4.299 4.104 133 HB1 ALA 17 HB1 ALA 17 19.810 5.948 5.585 134 HB2 ALA 17 HB2 ALA 17 19.535 7.071 4.253 135 HB3 ALA 17 HB3 ALA 17 21.156 6.874 4.921 136 H LEU 18 H LEU 18 21.103 6.833 1.787 137 HA LEU 18 HA LEU 18 18.589 6.995 0.421 138 HB2 LEU 18 HB3 LEU 18 21.061 8.220 0.355 139 HB3 LEU 18 HB2 LEU 18 21.043 7.341 -1.174 140 HG LEU 18 HG LEU 18 20.068 9.489 -1.612 141 HD11 LEU 18 HD11 LEU 18 17.587 7.862 -1.207 142 HD12 LEU 18 HD12 LEU 18 18.835 7.238 -2.286 143 HD13 LEU 18 HD13 LEU 18 18.089 8.803 -2.611 144 HD21 LEU 18 HD21 LEU 18 18.689 8.959 0.994 145 HD22 LEU 18 HD22 LEU 18 17.870 9.970 -0.196 146 HD23 LEU 18 HD23 LEU 18 19.456 10.438 0.416 147 H ALA 19 H ALA 19 21.245 4.713 0.262 148 HA ALA 19 HA ALA 19 20.653 3.527 -2.285 149 HB1 ALA 19 HB1 ALA 19 22.458 3.242 -0.122 150 HB2 ALA 19 HB2 ALA 19 22.544 2.454 -1.696 151 HB3 ALA 19 HB3 ALA 19 21.711 1.662 -0.358 152 H VAL 20 H VAL 20 19.262 3.131 0.920 153 HA VAL 20 HA VAL 20 17.962 0.604 0.493 154 HB VAL 20 HB VAL 20 18.406 1.959 2.643 155 HG11 VAL 20 HG11 VAL 20 17.071 3.749 3.188 156 HG12 VAL 20 HG12 VAL 20 15.687 3.123 2.292 157 HG13 VAL 20 HG13 VAL 20 17.007 3.917 1.434 158 HG21 VAL 20 HG21 VAL 20 15.544 1.100 2.592 159 HG22 VAL 20 HG22 VAL 20 16.817 0.690 3.741 160 HG23 VAL 20 HG23 VAL 20 16.766 -0.098 2.165 161 H GLU 21 H GLU 21 17.152 3.902 -0.428 162 HA GLU 21 HA GLU 21 14.357 3.384 -1.035 163 HB2 GLU 21 HB3 GLU 21 16.246 5.547 -0.990 164 HB3 GLU 21 HB2 GLU 21 15.431 5.550 -2.554 165 HG2 GLU 21 HG3 GLU 21 13.577 5.039 -0.360 166 HG3 GLU 21 HG2 GLU 21 14.410 6.583 -0.175 167 H GLN 22 H GLN 22 17.389 2.992 -2.744 168 HA GLN 22 HA GLN 22 16.230 2.791 -5.409 169 HB2 GLN 22 HB3 GLN 22 18.658 3.321 -4.589 170 HB3 GLN 22 HB2 GLN 22 18.832 1.568 -4.502 171 HG2 GLN 22 HG3 GLN 22 19.326 1.629 -6.702 172 HG3 GLN 22 HG2 GLN 22 17.624 1.999 -6.977 173 HE21 GLN 22 HE22 GLN 22 20.211 3.026 -8.326 174 HE22 GLN 22 HE21 GLN 22 20.046 4.715 -8.280 175 H PHE 23 H PHE 23 17.344 0.471 -2.959 176 HA PHE 23 HA PHE 23 16.808 -1.922 -4.426 177 HB2 PHE 23 HB3 PHE 23 17.179 -1.075 -1.585 178 HB3 PHE 23 HB2 PHE 23 16.509 -2.681 -1.866 179 HD1 PHE 23 HD2 PHE 23 17.753 -4.127 -3.691 180 HD2 PHE 23 HD1 PHE 23 19.499 -0.796 -1.617 181 HE1 PHE 23 HE2 PHE 23 20.019 -4.982 -4.226 182 HE2 PHE 23 HE1 PHE 23 21.765 -1.650 -2.152 183 HZ PHE 23 HZ PHE 23 22.025 -3.742 -3.457 184 H ILE 24 H ILE 24 14.713 0.282 -2.675 185 HA ILE 24 HA ILE 24 12.467 -1.488 -2.311 186 HB ILE 24 HB ILE 24 12.882 1.502 -2.470 187 HG12 ILE 24 HG13 ILE 24 12.154 -0.381 -0.202 188 HG13 ILE 24 HG12 ILE 24 13.762 0.280 -0.500 189 HG21 ILE 24 HG21 ILE 24 10.317 -0.012 -1.895 190 HG22 ILE 24 HG22 ILE 24 10.608 1.078 -3.251 191 HG23 ILE 24 HG23 ILE 24 10.548 1.712 -1.607 192 HD11 ILE 24 HD11 ILE 24 13.127 1.977 0.861 193 HD12 ILE 24 HD12 ILE 24 11.420 1.550 0.734 194 HD13 ILE 24 HD13 ILE 24 12.177 2.541 -0.513 195 H SER 25 H SER 25 13.524 0.600 -4.973 196 HA SER 25 HA SER 25 11.065 0.298 -6.514 197 HB2 SER 25 HB3 SER 25 12.634 2.226 -6.649 198 HB3 SER 25 HB2 SER 25 13.872 1.153 -7.296 199 HG SER 25 HG SER 25 12.940 1.286 -9.170 200 H ARG 26 H ARG 26 14.065 -1.480 -6.184 201 HA ARG 26 HA ARG 26 13.617 -3.043 -8.653 202 HB2 ARG 26 HB3 ARG 26 15.864 -2.297 -7.860 203 HB3 ARG 26 HB2 ARG 26 15.658 -3.293 -6.418 204 HG2 ARG 26 HG3 ARG 26 15.259 -4.602 -9.073 205 HG3 ARG 26 HG2 ARG 26 16.912 -4.225 -8.585 206 HD2 ARG 26 HD3 ARG 26 15.597 -5.349 -6.312 207 HD3 ARG 26 HD2 ARG 26 15.281 -6.408 -7.701 208 HE ARG 26 HE ARG 26 17.956 -5.786 -7.980 209 HH11 ARG 26 HH11 ARG 26 16.321 -8.264 -6.690 210 HH12 ARG 26 HH12 ARG 26 17.433 -8.643 -5.418 211 HH21 ARG 26 HH22 ARG 26 19.266 -5.723 -5.791 212 HH22 ARG 26 HH21 ARG 26 19.100 -7.204 -4.908 213 H PHE 27 H PHE 27 13.076 -3.309 -5.199 214 HA PHE 27 HA PHE 27 12.697 -6.198 -5.165 215 HB2 PHE 27 HB3 PHE 27 13.037 -4.104 -3.349 216 HB3 PHE 27 HB2 PHE 27 11.379 -4.655 -3.065 217 HD1 PHE 27 HD1 PHE 27 14.917 -5.553 -3.004 218 HD2 PHE 27 HD2 PHE 27 10.919 -6.887 -2.312 219 HE1 PHE 27 HE1 PHE 27 15.804 -7.530 -1.776 220 HE2 PHE 27 HE2 PHE 27 11.779 -8.873 -1.079 221 HZ PHE 27 HZ PHE 27 14.228 -9.190 -0.813 222 H ASN 28 H ASN 28 10.745 -3.467 -6.028 223 HA ASN 28 HA ASN 28 8.131 -4.093 -5.449 224 HB2 ASN 28 HB3 ASN 28 9.149 -2.253 -6.913 225 HB3 ASN 28 HB2 ASN 28 9.069 -3.413 -8.238 226 HD21 ASN 28 HD22 ASN 28 7.111 -1.434 -6.052 227 HD22 ASN 28 HD21 ASN 28 5.643 -1.668 -6.870 228 H SER 29 H SER 29 10.019 -5.559 -8.099 229 HA SER 29 HA SER 29 8.138 -7.221 -9.288 230 HB2 SER 29 HB3 SER 29 10.065 -8.610 -9.855 231 HB3 SER 29 HB2 SER 29 10.557 -6.921 -9.867 232 HG SER 29 HG SER 29 11.203 -7.318 -7.616 233 H GLY 30 H GLY 30 9.699 -7.634 -6.138 234 HA2 GLY 30 HA3 GLY 30 8.719 -10.339 -5.741 235 HA3 GLY 30 HA2 GLY 30 9.409 -9.299 -4.494 236 H TYR 31 H TYR 31 7.590 -7.113 -4.946 237 HA TYR 31 HA TYR 31 5.393 -7.958 -3.260 238 HB2 TYR 31 HB3 TYR 31 6.545 -5.697 -3.392 239 HB3 TYR 31 HB2 TYR 31 5.704 -5.440 -4.921 240 HD1 TYR 31 HD1 TYR 31 4.764 -6.850 -1.572 241 HD2 TYR 31 HD2 TYR 31 3.848 -4.058 -4.702 242 HE1 TYR 31 HE1 TYR 31 2.741 -6.124 -0.331 243 HE2 TYR 31 HE2 TYR 31 1.825 -3.331 -3.463 244 HH TYR 31 HH TYR 31 0.630 -5.053 -0.727 245 H ILE 32 H ILE 32 5.941 -8.517 -6.499 246 HA ILE 32 HA ILE 32 3.335 -7.892 -7.623 247 HB ILE 32 HB ILE 32 5.715 -9.589 -8.381 248 HG12 ILE 32 HG13 ILE 32 5.968 -7.164 -8.575 249 HG13 ILE 32 HG12 ILE 32 5.871 -7.873 -10.187 250 HG21 ILE 32 HG21 ILE 32 4.229 -10.824 -9.603 251 HG22 ILE 32 HG22 ILE 32 4.286 -9.436 -10.688 252 HG23 ILE 32 HG23 ILE 32 2.976 -9.587 -9.517 253 HD11 ILE 32 HD11 ILE 32 3.817 -6.259 -8.704 254 HD12 ILE 32 HD12 ILE 32 3.293 -7.424 -9.921 255 HD13 ILE 32 HD13 ILE 32 4.366 -6.100 -10.373 256 H LYS 33 H LYS 33 4.663 -10.549 -5.783 257 HA LYS 33 HA LYS 33 2.790 -12.596 -6.541 258 HB2 LYS 33 HB3 LYS 33 4.714 -12.015 -4.330 259 HB3 LYS 33 HB2 LYS 33 3.527 -13.290 -4.056 260 HG2 LYS 33 HG3 LYS 33 4.375 -14.635 -5.740 261 HG3 LYS 33 HG2 LYS 33 5.017 -13.268 -6.652 262 HD2 LYS 33 HD3 LYS 33 7.032 -13.728 -5.754 263 HD3 LYS 33 HD2 LYS 33 6.381 -13.202 -4.202 264 HE2 LYS 33 HE3 LYS 33 7.164 -15.406 -3.770 265 HE3 LYS 33 HE2 LYS 33 5.425 -15.632 -4.043 266 HZ1 LYS 33 HZ1 LYS 33 7.629 -16.002 -5.995 267 HZ2 LYS 33 HZ2 LYS 33 6.000 -15.902 -6.456 268 HZ3 LYS 33 HZ3 LYS 33 6.519 -17.167 -5.449 269 H ALA 34 H ALA 34 2.654 -9.920 -4.249 270 HA ALA 34 HA ALA 34 0.428 -10.786 -2.678 271 HB1 ALA 34 HB1 ALA 34 0.919 -7.918 -3.433 272 HB2 ALA 34 HB2 ALA 34 2.143 -8.791 -2.511 273 HB3 ALA 34 HB3 ALA 34 0.518 -8.595 -1.855 274 H SER 35 H SER 35 0.635 -9.260 -5.852 275 HA SER 35 HA SER 35 -1.927 -8.246 -6.257 276 HB2 SER 35 HB3 SER 35 0.270 -8.782 -7.773 277 HB3 SER 35 HB2 SER 35 -0.841 -9.999 -8.395 278 HG SER 35 HG SER 35 -1.561 -7.280 -8.060 279 H GLN 36 H GLN 36 -0.966 -11.593 -5.888 280 HA GLN 36 HA GLN 36 -3.451 -12.734 -6.915 281 HB2 GLN 36 HB3 GLN 36 -1.027 -13.721 -6.619 282 HB3 GLN 36 HB2 GLN 36 -1.575 -14.077 -4.982 283 HG2 GLN 36 HG3 GLN 36 -3.246 -15.545 -5.721 284 HG3 GLN 36 HG2 GLN 36 -3.270 -14.853 -7.343 285 HE21 GLN 36 HE22 GLN 36 -2.871 -17.709 -6.696 286 HE22 GLN 36 HE21 GLN 36 -1.335 -18.126 -7.286 287 H GLU 37 H GLU 37 -2.105 -11.965 -3.733 288 HA GLU 37 HA GLU 37 -4.242 -13.041 -2.147 289 HB2 GLU 37 HB3 GLU 37 -1.880 -12.309 -1.484 290 HB3 GLU 37 HB2 GLU 37 -2.485 -10.653 -1.520 291 HG2 GLU 37 HG3 GLU 37 -3.765 -10.932 0.365 292 HG3 GLU 37 HG2 GLU 37 -4.100 -12.627 0.011 293 H LEU 38 H LEU 38 -3.881 -10.055 -3.950 294 HA LEU 38 HA LEU 38 -6.003 -8.594 -2.603 295 HB2 LEU 38 HB3 LEU 38 -4.148 -8.313 -4.870 296 HB3 LEU 38 HB2 LEU 38 -5.700 -7.520 -5.132 297 HG LEU 38 HG LEU 38 -4.698 -7.065 -2.433 298 HD11 LEU 38 HD11 LEU 38 -3.037 -6.049 -4.760 299 HD12 LEU 38 HD12 LEU 38 -2.512 -7.256 -3.586 300 HD13 LEU 38 HD13 LEU 38 -2.828 -5.600 -3.068 301 HD21 LEU 38 HD21 LEU 38 -6.367 -5.842 -4.260 302 HD22 LEU 38 HD22 LEU 38 -4.937 -4.810 -4.309 303 HD23 LEU 38 HD23 LEU 38 -5.770 -5.092 -2.780 304 H VAL 39 H VAL 39 -5.818 -10.753 -5.394 305 HA VAL 39 HA VAL 39 -8.472 -10.220 -6.405 306 HB VAL 39 HB VAL 39 -6.435 -12.434 -6.673 307 HG11 VAL 39 HG11 VAL 39 -9.061 -12.194 -8.171 308 HG12 VAL 39 HG12 VAL 39 -8.737 -13.377 -6.903 309 HG13 VAL 39 HG13 VAL 39 -7.826 -13.429 -8.412 310 HG21 VAL 39 HG21 VAL 39 -7.377 -10.093 -8.315 311 HG22 VAL 39 HG22 VAL 39 -6.606 -11.471 -9.100 312 HG23 VAL 39 HG23 VAL 39 -5.729 -10.547 -7.880 313 H SER 40 H SER 40 -7.192 -12.253 -3.858 314 HA SER 40 HA SER 40 -9.471 -14.031 -3.634 315 HB2 SER 40 HB3 SER 40 -6.937 -14.012 -2.725 316 HB3 SER 40 HB2 SER 40 -7.738 -13.358 -1.300 317 HG SER 40 HG SER 40 -8.681 -15.227 -0.973 318 H TYR 41 H TYR 41 -8.709 -10.825 -2.435 319 HA TYR 41 HA TYR 41 -10.672 -10.756 -0.306 320 HB2 TYR 41 HB3 TYR 41 -8.556 -9.285 -0.920 321 HB3 TYR 41 HB2 TYR 41 -9.739 -8.340 -1.825 322 HD1 TYR 41 HD1 TYR 41 -9.456 -10.015 1.528 323 HD2 TYR 41 HD2 TYR 41 -10.755 -6.579 -0.698 324 HE1 TYR 41 HE1 TYR 41 -10.204 -8.934 3.631 325 HE2 TYR 41 HE2 TYR 41 -11.503 -5.499 1.404 326 HH TYR 41 HH TYR 41 -10.909 -7.010 4.558 327 H THR 42 H THR 42 -10.786 -10.251 -3.772 328 HA THR 42 HA THR 42 -13.394 -8.891 -3.715 329 HB THR 42 HB THR 42 -11.957 -10.144 -6.062 330 HG1 THR 42 HG1 THR 42 -11.520 -7.490 -5.384 331 HG21 THR 42 HG21 THR 42 -13.254 -8.771 -7.366 332 HG22 THR 42 HG22 THR 42 -13.322 -7.501 -6.144 333 HG23 THR 42 HG23 THR 42 -14.349 -8.927 -5.993 334 H ILE 43 H ILE 43 -12.198 -12.155 -3.866 335 HA ILE 43 HA ILE 43 -14.248 -13.515 -5.241 336 HB ILE 43 HB ILE 43 -12.505 -14.169 -2.863 337 HG12 ILE 43 HG13 ILE 43 -11.460 -13.855 -5.103 338 HG13 ILE 43 HG12 ILE 43 -11.299 -15.513 -4.521 339 HG21 ILE 43 HG21 ILE 43 -14.805 -15.650 -3.941 340 HG22 ILE 43 HG22 ILE 43 -13.948 -15.862 -2.414 341 HG23 ILE 43 HG23 ILE 43 -13.318 -16.596 -3.889 342 HD11 ILE 43 HD11 ILE 43 -13.673 -15.691 -5.829 343 HD12 ILE 43 HD12 ILE 43 -12.119 -16.033 -6.590 344 HD13 ILE 43 HD13 ILE 43 -12.874 -14.453 -6.798 345 H LYS 44 H LYS 44 -14.284 -12.020 -2.069 346 HA LYS 44 HA LYS 44 -16.949 -13.227 -1.475 347 HB2 LYS 44 HB3 LYS 44 -14.798 -11.815 0.104 348 HB3 LYS 44 HB2 LYS 44 -16.401 -12.093 0.784 349 HG2 LYS 44 HG3 LYS 44 -15.652 -14.134 1.398 350 HG3 LYS 44 HG2 LYS 44 -15.710 -14.559 -0.313 351 HD2 LYS 44 HD3 LYS 44 -13.402 -13.910 -0.623 352 HD3 LYS 44 HD2 LYS 44 -13.320 -13.251 1.012 353 HE2 LYS 44 HE3 LYS 44 -14.184 -16.086 0.844 354 HE3 LYS 44 HE2 LYS 44 -12.495 -15.769 0.401 355 HZ1 LYS 44 HZ1 LYS 44 -12.412 -15.934 2.704 356 HZ2 LYS 44 HZ2 LYS 44 -13.890 -15.133 2.925 357 HZ3 LYS 44 HZ3 LYS 44 -12.513 -14.256 2.455 358 H LEU 45 H LEU 45 -16.236 -10.916 -3.376 359 HA LEU 45 HA LEU 45 -18.526 -9.237 -2.726 360 HB2 LEU 45 HB3 LEU 45 -15.946 -8.646 -1.624 361 HB3 LEU 45 HB2 LEU 45 -16.346 -7.394 -2.800 362 HG LEU 45 HG LEU 45 -18.308 -8.311 -0.691 363 HD11 LEU 45 HD11 LEU 45 -17.396 -6.927 0.868 364 HD12 LEU 45 HD12 LEU 45 -16.954 -5.712 -0.332 365 HD13 LEU 45 HD13 LEU 45 -15.920 -7.119 -0.077 366 HD21 LEU 45 HD21 LEU 45 -18.068 -5.842 -2.440 367 HD22 LEU 45 HD22 LEU 45 -19.292 -6.067 -1.190 368 HD23 LEU 45 HD23 LEU 45 -19.268 -7.124 -2.600 369 H SER 46 H SER 46 -18.666 -10.264 -5.010 370 HA SER 46 HA SER 46 -18.376 -8.309 -7.029 371 HB2 SER 46 HB3 SER 46 -16.087 -8.335 -7.138 372 HB3 SER 46 HB2 SER 46 -15.974 -9.917 -6.375 373 HG SER 46 HG SER 46 -15.996 -9.240 -9.009 374 H HIS 47 H HIS 47 -19.666 -9.012 -8.698 375 HA HIS 47 HA HIS 47 -20.832 -10.489 -10.132 376 HB2 HIS 47 HB3 HIS 47 -18.292 -11.642 -9.488 377 HB3 HIS 47 HB2 HIS 47 -19.490 -12.933 -9.532 378 HD1 HIS 47 HD1 HIS 47 -20.698 -13.379 -11.792 379 HD2 HIS 47 HD2 HIS 47 -17.827 -10.361 -11.990 380 HE1 HIS 47 HE1 HIS 47 -20.320 -12.909 -14.253 381 H ASP 48 H ASP 48 -21.262 -10.253 -7.096 382 HA ASP 48 HA ASP 48 -22.891 -12.752 -6.755 383 HB2 ASP 48 HB3 ASP 48 -20.793 -12.138 -5.302 384 HB3 ASP 48 HB2 ASP 48 -21.905 -11.022 -4.510 385 HA PRO 49 HA PRO 49 -25.429 -8.739 -6.484 386 HB2 PRO 49 HB2 PRO 49 -26.692 -8.875 -8.909 387 HB3 PRO 49 HB3 PRO 49 -25.164 -8.003 -8.664 388 HG2 PRO 49 HG3 PRO 49 -25.637 -10.705 -9.821 389 HG3 PRO 49 HG2 PRO 49 -24.490 -9.450 -10.316 390 HD2 PRO 49 HD3 PRO 49 -23.773 -11.635 -8.854 391 HD3 PRO 49 HD2 PRO 49 -22.931 -10.073 -8.754 392 H ILE 50 H ILE 50 -26.106 -11.914 -7.893 393 HA ILE 50 HA ILE 50 -28.934 -11.955 -7.336 394 HB ILE 50 HB ILE 50 -26.940 -14.226 -7.583 395 HG12 ILE 50 HG13 ILE 50 -26.684 -12.730 -9.479 396 HG13 ILE 50 HG12 ILE 50 -27.597 -14.142 -10.013 397 HG21 ILE 50 HG21 ILE 50 -29.937 -14.003 -7.910 398 HG22 ILE 50 HG22 ILE 50 -29.036 -15.101 -6.864 399 HG23 ILE 50 HG23 ILE 50 -29.015 -15.332 -8.612 400 HD11 ILE 50 HD11 ILE 50 -28.822 -11.505 -9.153 401 HD12 ILE 50 HD12 ILE 50 -29.701 -12.909 -9.755 402 HD13 ILE 50 HD13 ILE 50 -28.613 -12.025 -10.825 403 H GLU 51 H GLU 51 -26.076 -12.638 -5.416 404 HA GLU 51 HA GLU 51 -27.514 -14.053 -3.296 405 HB2 GLU 51 HB3 GLU 51 -24.879 -13.685 -4.163 406 HB3 GLU 51 HB2 GLU 51 -24.945 -12.855 -2.608 407 HG2 GLU 51 HG3 GLU 51 -26.293 -15.101 -1.960 408 HG3 GLU 51 HG2 GLU 51 -25.245 -15.747 -3.222 409 H TYR 52 H TYR 52 -26.640 -10.731 -4.023 410 HA TYR 52 HA TYR 52 -27.320 -9.803 -1.299 411 HB2 TYR 52 HB3 TYR 52 -25.534 -8.593 -2.138 412 HB3 TYR 52 HB2 TYR 52 -26.082 -8.750 -3.805 413 HD1 TYR 52 HD1 TYR 52 -28.150 -7.420 -4.521 414 HD2 TYR 52 HD2 TYR 52 -25.982 -6.629 -0.901 415 HE1 TYR 52 HE1 TYR 52 -29.157 -5.153 -4.414 416 HE2 TYR 52 HE2 TYR 52 -26.986 -4.363 -0.792 417 HH TYR 52 HH TYR 52 -29.585 -3.438 -2.185 418 H LEU 53 H LEU 53 -28.714 -9.919 -4.533 419 HA LEU 53 HA LEU 53 -30.881 -8.059 -4.001 420 HB2 LEU 53 HB3 LEU 53 -29.725 -9.244 -6.187 421 HB3 LEU 53 HB2 LEU 53 -31.221 -10.167 -6.045 422 HG LEU 53 HG LEU 53 -31.976 -7.500 -5.613 423 HD11 LEU 53 HD11 LEU 53 -29.606 -7.123 -6.677 424 HD12 LEU 53 HD12 LEU 53 -30.975 -6.181 -7.267 425 HD13 LEU 53 HD13 LEU 53 -30.409 -7.581 -8.179 426 HD21 LEU 53 HD21 LEU 53 -33.187 -7.799 -7.717 427 HD22 LEU 53 HD22 LEU 53 -33.217 -9.311 -6.809 428 HD23 LEU 53 HD23 LEU 53 -32.116 -9.124 -8.175 429 H LEU 54 H LEU 54 -30.399 -11.528 -3.619 430 HA LEU 54 HA LEU 54 -33.205 -12.169 -3.180 431 HB2 LEU 54 HB3 LEU 54 -30.901 -13.530 -3.748 432 HB3 LEU 54 HB2 LEU 54 -31.078 -13.879 -2.028 433 HG LEU 54 HG LEU 54 -33.625 -14.087 -3.419 434 HD11 LEU 54 HD11 LEU 54 -31.950 -14.714 -5.254 435 HD12 LEU 54 HD12 LEU 54 -33.164 -15.930 -4.862 436 HD13 LEU 54 HD13 LEU 54 -31.520 -16.095 -4.246 437 HD21 LEU 54 HD21 LEU 54 -33.821 -16.031 -2.106 438 HD22 LEU 54 HD22 LEU 54 -32.756 -15.012 -1.137 439 HD23 LEU 54 HD23 LEU 54 -32.081 -16.320 -2.108 440 H GLU 55 H GLU 55 -30.527 -11.096 -1.179 441 HA GLU 55 HA GLU 55 -31.727 -11.813 1.371 442 HB2 GLU 55 HB3 GLU 55 -29.256 -11.272 0.604 443 HB3 GLU 55 HB2 GLU 55 -29.722 -9.612 0.975 444 HG2 GLU 55 HG3 GLU 55 -28.825 -10.418 3.009 445 HG3 GLU 55 HG2 GLU 55 -30.570 -10.557 3.227 446 H GLN 56 H GLN 56 -31.772 -8.979 -0.733 447 HA GLN 56 HA GLN 56 -32.975 -7.167 1.179 448 HB2 GLN 56 HB3 GLN 56 -31.803 -6.269 -0.689 449 HB3 GLN 56 HB2 GLN 56 -32.676 -7.294 -1.828 450 HG2 GLN 56 HG3 GLN 56 -34.492 -5.646 -0.252 451 HG3 GLN 56 HG2 GLN 56 -33.331 -4.667 -1.148 452 HE21 GLN 56 HE22 GLN 56 -35.861 -4.383 -2.076 453 HE22 GLN 56 HE21 GLN 56 -36.114 -5.264 -3.504 454 H ILE 57 H ILE 57 -34.214 -9.639 -0.974 455 HA ILE 57 HA ILE 57 -36.992 -8.683 -0.779 456 HB ILE 57 HB ILE 57 -35.423 -10.221 -2.532 457 HG12 ILE 57 HG13 ILE 57 -38.153 -10.505 -3.241 458 HG13 ILE 57 HG12 ILE 57 -38.006 -8.959 -2.404 459 HG21 ILE 57 HG21 ILE 57 -37.529 -11.887 -1.148 460 HG22 ILE 57 HG22 ILE 57 -35.819 -12.266 -1.350 461 HG23 ILE 57 HG23 ILE 57 -36.896 -12.277 -2.747 462 HD11 ILE 57 HD11 ILE 57 -36.895 -8.033 -4.135 463 HD12 ILE 57 HD12 ILE 57 -37.333 -9.464 -5.070 464 HD13 ILE 57 HD13 ILE 57 -35.782 -9.398 -4.232 465 H GLN 58 H GLN 58 -34.931 -11.167 0.645 466 HA GLN 58 HA GLN 58 -37.068 -12.588 2.004 467 HB2 GLN 58 HB3 GLN 58 -34.391 -12.958 1.419 468 HB3 GLN 58 HB2 GLN 58 -34.362 -12.666 3.158 469 HG2 GLN 58 HG3 GLN 58 -34.644 -15.058 2.740 470 HG3 GLN 58 HG2 GLN 58 -36.122 -14.406 3.447 471 HE21 GLN 58 HE22 GLN 58 -36.926 -16.528 2.256 472 HE22 GLN 58 HE21 GLN 58 -37.454 -16.316 0.657 473 H ASN 59 H ASN 59 -35.086 -9.783 2.722 474 HA ASN 59 HA ASN 59 -35.612 -9.715 5.577 475 HB2 ASN 59 HB3 ASN 59 -33.852 -8.557 3.879 476 HB3 ASN 59 HB2 ASN 59 -35.014 -7.241 4.035 477 HD21 ASN 59 HD22 ASN 59 -34.978 -6.029 5.970 478 HD22 ASN 59 HD21 ASN 59 -34.004 -6.409 7.308 479 H LEU 60 H LEU 60 -37.158 -8.364 2.704 480 HA LEU 60 HA LEU 60 -39.052 -6.740 4.260 481 HB2 LEU 60 HB3 LEU 60 -37.961 -6.533 1.809 482 HB3 LEU 60 HB2 LEU 60 -39.439 -7.391 1.374 483 HG LEU 60 HG LEU 60 -40.297 -5.431 3.166 484 HD11 LEU 60 HD11 LEU 60 -38.127 -4.299 2.991 485 HD12 LEU 60 HD12 LEU 60 -39.373 -3.340 2.192 486 HD13 LEU 60 HD13 LEU 60 -38.248 -4.302 1.232 487 HD21 LEU 60 HD21 LEU 60 -40.962 -4.325 0.838 488 HD22 LEU 60 HD22 LEU 60 -41.693 -5.844 1.358 489 HD23 LEU 60 HD23 LEU 60 -40.361 -5.856 0.200 490 H HIS 61 H HIS 61 -39.053 -9.802 2.478 491 HA HIS 61 HA HIS 61 -41.877 -10.305 2.590 492 HB2 HIS 61 HB3 HIS 61 -39.614 -11.443 1.494 493 HB3 HIS 61 HB2 HIS 61 -40.061 -12.619 2.730 494 HD1 HIS 61 HD1 HIS 61 -40.448 -13.665 -0.006 495 HD2 HIS 61 HD2 HIS 61 -43.381 -11.342 1.832 496 HE1 HIS 61 HE1 HIS 61 -42.623 -14.186 -1.194 497 H ARG 62 H ARG 62 -39.277 -10.728 4.911 498 HA ARG 62 HA ARG 62 -40.619 -12.565 6.683 499 HB2 ARG 62 HB3 ARG 62 -38.129 -11.400 6.402 500 HB3 ARG 62 HB2 ARG 62 -38.747 -10.625 7.860 501 HG2 ARG 62 HG3 ARG 62 -39.468 -13.142 8.422 502 HG3 ARG 62 HG2 ARG 62 -38.097 -13.493 7.370 503 HD2 ARG 62 HD3 ARG 62 -36.878 -11.667 8.848 504 HD3 ARG 62 HD2 ARG 62 -38.127 -12.105 10.031 505 HE ARG 62 HE ARG 62 -37.144 -14.256 10.207 506 HH11 ARG 62 HH22 ARG 62 -34.990 -12.310 8.662 507 HH12 ARG 62 HH21 ARG 62 -34.208 -13.552 7.742 508 HH21 ARG 62 HH11 ARG 62 -36.572 -15.973 8.503 509 HH22 ARG 62 HH12 ARG 62 -35.103 -15.626 7.652 510 H VAL 63 H VAL 63 -40.747 -9.080 6.250 511 HA VAL 63 HA VAL 63 -41.895 -8.366 8.778 512 HB VAL 63 HB VAL 63 -41.912 -7.210 5.988 513 HG11 VAL 63 HG11 VAL 63 -43.570 -6.485 8.302 514 HG12 VAL 63 HG12 VAL 63 -43.729 -6.006 6.612 515 HG13 VAL 63 HG13 VAL 63 -42.618 -5.140 7.673 516 HG21 VAL 63 HG21 VAL 63 -40.301 -5.680 6.882 517 HG22 VAL 63 HG22 VAL 63 -39.824 -7.277 7.458 518 HG23 VAL 63 HG23 VAL 63 -40.663 -6.165 8.540 519 H THR 64 H THR 64 -43.256 -9.764 5.861 520 HA THR 64 HA THR 64 -46.039 -9.209 6.607 521 HB THR 64 HB THR 64 -44.601 -10.802 4.480 522 HG1 THR 64 HG1 THR 64 -44.678 -8.832 3.748 523 HG21 THR 64 HG21 THR 64 -46.473 -12.126 4.518 524 HG22 THR 64 HG22 THR 64 -47.139 -10.788 3.581 525 HG23 THR 64 HG23 THR 64 -47.453 -10.894 5.313 526 H LEU 65 H LEU 65 -43.703 -11.784 7.065 527 HA LEU 65 HA LEU 65 -45.760 -13.722 7.936 528 HB2 LEU 65 HB3 LEU 65 -43.230 -13.818 6.772 529 HB3 LEU 65 HB2 LEU 65 -42.944 -14.347 8.430 530 HG LEU 65 HG LEU 65 -45.132 -15.790 7.978 531 HD11 LEU 65 HD11 LEU 65 -44.119 -16.263 5.293 532 HD12 LEU 65 HD12 LEU 65 -44.717 -14.613 5.471 533 HD13 LEU 65 HD13 LEU 65 -45.776 -15.978 5.824 534 HD21 LEU 65 HD21 LEU 65 -42.582 -16.721 6.667 535 HD22 LEU 65 HD22 LEU 65 -43.714 -17.643 7.658 536 HD23 LEU 65 HD23 LEU 65 -42.645 -16.457 8.409 537 H ALA 66 H ALA 66 -43.499 -11.434 9.324 538 HA ALA 66 HA ALA 66 -43.206 -10.754 11.571 539 HB1 ALA 66 HB1 ALA 66 -45.868 -11.655 11.209 540 HB2 ALA 66 HB2 ALA 66 -45.268 -10.591 12.481 541 HB3 ALA 66 HB3 ALA 66 -45.323 -12.335 12.743 542 H GLU 67 H GLU 67 -41.290 -12.375 11.216 543 HA GLU 67 HA GLU 67 -39.979 -14.184 12.016 544 HB2 GLU 67 HB3 GLU 67 -41.690 -13.378 14.389 545 HB3 GLU 67 HB2 GLU 67 -40.253 -14.394 14.512 546 HG2 GLU 67 HG3 GLU 67 -39.091 -12.443 13.200 547 HG3 GLU 67 HG2 GLU 67 -40.454 -11.486 13.782 548 H GLY 68 H GLY 68 -41.346 -15.634 10.529 549 HA2 GLY 68 HA3 GLY 68 -42.754 -17.661 12.210 550 HA3 GLY 68 HA2 GLY 68 -43.463 -17.127 10.685 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 31.494 26.903 1.020 2 H2 ASP 1 H2 ASP 1 31.827 25.865 -0.284 3 H3 ASP 1 H3 ASP 1 31.155 27.401 -0.567 4 HA ASP 1 HA ASP 1 33.233 28.385 0.428 5 HB2 ASP 1 HB3 ASP 1 33.537 25.892 1.366 6 HB3 ASP 1 HB2 ASP 1 34.470 25.720 -0.120 7 H GLN 2 H GLN 2 32.700 25.879 -2.048 8 HA GLN 2 HA GLN 2 34.010 27.704 -4.038 9 HB2 GLN 2 HB3 GLN 2 34.080 24.671 -3.889 10 HB3 GLN 2 HB2 GLN 2 34.909 25.667 -5.087 11 HG2 GLN 2 HG3 GLN 2 35.417 25.624 -2.099 12 HG3 GLN 2 HG2 GLN 2 36.509 25.064 -3.366 13 HE21 GLN 2 HE22 GLN 2 35.726 27.413 -5.132 14 HE22 GLN 2 HE21 GLN 2 36.553 28.742 -4.476 15 H ASN 3 H ASN 3 33.176 27.352 -6.277 16 HA ASN 3 HA ASN 3 30.283 26.595 -6.230 17 HB2 ASN 3 HB3 ASN 3 31.767 28.805 -7.174 18 HB3 ASN 3 HB2 ASN 3 31.226 27.943 -8.616 19 HD21 ASN 3 HD22 ASN 3 30.265 30.495 -6.944 20 HD22 ASN 3 HD21 ASN 3 28.580 30.287 -6.933 21 H HIS 4 H HIS 4 33.028 25.022 -6.826 22 HA HIS 4 HA HIS 4 33.034 24.085 -9.478 23 HB2 HIS 4 HB3 HIS 4 33.712 22.927 -6.783 24 HB3 HIS 4 HB2 HIS 4 33.876 21.932 -8.230 25 HD1 HIS 4 HD1 HIS 4 34.555 25.642 -8.215 26 HD2 HIS 4 HD2 HIS 4 36.699 22.068 -8.337 27 HE1 HIS 4 HE1 HIS 4 36.954 26.264 -8.739 28 H ILE 5 H ILE 5 31.546 22.926 -10.637 29 HA ILE 5 HA ILE 5 29.334 21.579 -9.143 30 HB ILE 5 HB ILE 5 29.557 22.562 -11.997 31 HG12 ILE 5 HG13 ILE 5 28.324 23.761 -9.502 32 HG13 ILE 5 HG12 ILE 5 29.568 24.466 -10.535 33 HG21 ILE 5 HG21 ILE 5 26.869 22.293 -11.011 34 HG22 ILE 5 HG22 ILE 5 27.724 20.770 -10.768 35 HG23 ILE 5 HG23 ILE 5 27.622 21.477 -12.381 36 HD11 ILE 5 HD11 ILE 5 27.835 24.362 -12.426 37 HD12 ILE 5 HD12 ILE 5 27.549 25.561 -11.163 38 HD13 ILE 5 HD13 ILE 5 26.642 24.048 -11.165 39 H GLU 6 H GLU 6 32.165 20.737 -10.304 40 HA GLU 6 HA GLU 6 31.462 18.496 -12.057 41 HB2 GLU 6 HB3 GLU 6 34.060 19.222 -10.664 42 HB3 GLU 6 HB2 GLU 6 33.882 18.167 -12.066 43 HG2 GLU 6 HG3 GLU 6 33.955 19.938 -13.448 44 HG3 GLU 6 HG2 GLU 6 32.587 20.672 -12.613 45 H GLN 7 H GLN 7 32.250 16.261 -11.426 46 HA GLN 7 HA GLN 7 32.104 14.401 -9.971 47 HB2 GLN 7 HB3 GLN 7 33.198 16.640 -8.253 48 HB3 GLN 7 HB2 GLN 7 33.040 14.990 -7.648 49 HG2 GLN 7 HG3 GLN 7 34.673 15.907 -10.030 50 HG3 GLN 7 HG2 GLN 7 35.286 15.250 -8.512 51 HE21 GLN 7 HE22 GLN 7 34.599 14.373 -11.674 52 HE22 GLN 7 HE21 GLN 7 34.382 12.704 -11.448 53 HA PRO 8 HA PRO 8 28.064 16.026 -8.349 54 HB2 PRO 8 HB2 PRO 8 26.491 14.246 -9.708 55 HB3 PRO 8 HB3 PRO 8 27.003 15.802 -10.392 56 HG2 PRO 8 HG3 PRO 8 28.083 13.074 -10.879 57 HG3 PRO 8 HG2 PRO 8 27.854 14.416 -12.009 58 HD2 PRO 8 HD3 PRO 8 30.271 13.740 -10.928 59 HD3 PRO 8 HD2 PRO 8 29.855 15.380 -11.473 60 H PHE 9 H PHE 9 29.703 12.980 -8.509 61 HA PHE 9 HA PHE 9 27.869 11.635 -6.620 62 HB2 PHE 9 HB3 PHE 9 30.273 10.975 -8.277 63 HB3 PHE 9 HB2 PHE 9 29.921 9.947 -6.888 64 HD1 PHE 9 HD1 PHE 9 27.514 11.765 -9.082 65 HD2 PHE 9 HD2 PHE 9 29.093 7.958 -7.874 66 HE1 PHE 9 HE1 PHE 9 25.738 10.617 -10.379 67 HE2 PHE 9 HE2 PHE 9 27.318 6.810 -9.170 68 HZ PHE 9 HZ PHE 9 25.641 8.139 -10.423 69 H TYR 10 H TYR 10 30.954 13.322 -6.611 70 HA TYR 10 HA TYR 10 31.932 12.405 -4.073 71 HB2 TYR 10 HB3 TYR 10 33.421 13.474 -5.566 72 HB3 TYR 10 HB2 TYR 10 32.333 14.840 -5.809 73 HD1 TYR 10 HD1 TYR 10 34.513 13.155 -3.301 74 HD2 TYR 10 HD2 TYR 10 32.402 16.737 -4.376 75 HE1 TYR 10 HE1 TYR 10 35.624 14.366 -1.443 76 HE2 TYR 10 HE2 TYR 10 33.513 17.949 -2.518 77 HH TYR 10 HH TYR 10 35.944 16.342 -0.471 78 H LEU 11 H LEU 11 29.376 14.569 -4.936 79 HA LEU 11 HA LEU 11 29.374 16.169 -2.508 80 HB2 LEU 11 HB3 LEU 11 28.099 16.066 -5.031 81 HB3 LEU 11 HB2 LEU 11 26.815 15.932 -3.829 82 HG LEU 11 HG LEU 11 28.932 17.974 -3.340 83 HD11 LEU 11 HD11 LEU 11 28.484 18.346 -5.701 84 HD12 LEU 11 HD12 LEU 11 27.665 19.600 -4.769 85 HD13 LEU 11 HD13 LEU 11 26.745 18.244 -5.424 86 HD21 LEU 11 HD21 LEU 11 26.357 19.015 -3.000 87 HD22 LEU 11 HD22 LEU 11 27.398 18.372 -1.728 88 HD23 LEU 11 HD23 LEU 11 26.213 17.327 -2.511 89 H MET 12 H MET 12 27.350 13.480 -3.685 90 HA MET 12 HA MET 12 25.558 13.080 -1.651 91 HB2 MET 12 HB3 MET 12 25.367 10.957 -2.553 92 HB3 MET 12 HB2 MET 12 26.355 11.704 -3.802 93 HG2 MET 12 HG3 MET 12 28.373 10.746 -2.882 94 HG3 MET 12 HG2 MET 12 27.508 10.168 -1.457 95 HE1 MET 12 HE1 MET 12 27.203 10.453 -5.143 96 HE2 MET 12 HE2 MET 12 25.543 9.870 -4.958 97 HE3 MET 12 HE3 MET 12 26.745 8.869 -5.766 98 H GLY 13 H GLY 13 28.929 11.945 -1.579 99 HA2 GLY 13 HA3 GLY 13 30.362 11.695 0.287 100 HA3 GLY 13 HA2 GLY 13 29.077 12.337 1.309 101 H ARG 14 H ARG 14 27.587 10.881 2.255 102 HA ARG 14 HA ARG 14 28.390 8.001 2.068 103 HB2 ARG 14 HB3 ARG 14 28.685 9.045 4.249 104 HB3 ARG 14 HB2 ARG 14 27.030 9.655 4.218 105 HG2 ARG 14 HG3 ARG 14 27.144 6.773 3.767 106 HG3 ARG 14 HG2 ARG 14 27.854 7.231 5.316 107 HD2 ARG 14 HD3 ARG 14 25.360 8.675 4.753 108 HD3 ARG 14 HD2 ARG 14 25.139 6.917 4.857 109 HE ARG 14 HE ARG 14 26.863 7.597 6.968 110 HH11 ARG 14 HH22 ARG 14 25.222 10.090 7.121 111 HH12 ARG 14 HH21 ARG 14 23.929 9.615 8.170 112 HH21 ARG 14 HH11 ARG 14 24.525 6.218 7.803 113 HH22 ARG 14 HH12 ARG 14 23.534 7.423 8.556 114 H ASP 15 H ASP 15 26.495 9.388 0.214 115 HA ASP 15 HA ASP 15 23.770 8.820 0.868 116 HB2 ASP 15 HB3 ASP 15 25.441 9.402 -1.519 117 HB3 ASP 15 HB2 ASP 15 23.885 8.635 -1.841 118 H LYS 16 H LYS 16 26.378 6.709 0.222 119 HA LYS 16 HA LYS 16 25.443 4.562 -1.224 120 HB2 LYS 16 HB3 LYS 16 27.007 4.809 1.334 121 HB3 LYS 16 HB2 LYS 16 26.680 3.215 0.653 122 HG2 LYS 16 HG3 LYS 16 27.596 4.149 -1.557 123 HG3 LYS 16 HG2 LYS 16 28.212 5.496 -0.600 124 HD2 LYS 16 HD3 LYS 16 29.184 3.582 0.927 125 HD3 LYS 16 HD2 LYS 16 29.012 2.605 -0.531 126 HE2 LYS 16 HE3 LYS 16 30.190 4.796 -1.607 127 HE3 LYS 16 HE2 LYS 16 30.888 4.843 0.024 128 HZ1 LYS 16 HZ1 LYS 16 31.634 2.631 -0.169 129 HZ2 LYS 16 HZ2 LYS 16 32.081 3.377 -1.624 130 HZ3 LYS 16 HZ3 LYS 16 30.726 2.354 -1.578 131 H ALA 17 H ALA 17 24.770 5.067 2.247 132 HA ALA 17 HA ALA 17 22.939 2.855 2.479 133 HB1 ALA 17 HB1 ALA 17 22.392 4.926 4.374 134 HB2 ALA 17 HB2 ALA 17 24.130 4.903 4.081 135 HB3 ALA 17 HB3 ALA 17 23.308 3.440 4.623 136 H LEU 18 H LEU 18 22.585 6.191 1.453 137 HA LEU 18 HA LEU 18 19.662 6.210 1.665 138 HB2 LEU 18 HB3 LEU 18 21.696 8.067 1.507 139 HB3 LEU 18 HB2 LEU 18 21.016 8.129 -0.120 140 HG LEU 18 HG LEU 18 18.716 8.165 1.197 141 HD11 LEU 18 HD11 LEU 18 19.047 8.198 3.437 142 HD12 LEU 18 HD12 LEU 18 19.563 9.870 3.214 143 HD13 LEU 18 HD13 LEU 18 20.760 8.575 3.258 144 HD21 LEU 18 HD21 LEU 18 19.423 10.812 1.507 145 HD22 LEU 18 HD22 LEU 18 18.890 10.085 -0.008 146 HD23 LEU 18 HD23 LEU 18 20.611 10.247 0.334 147 H ALA 19 H ALA 19 22.075 5.401 -0.746 148 HA ALA 19 HA ALA 19 20.262 5.441 -3.026 149 HB1 ALA 19 HB1 ALA 19 22.287 5.373 -4.009 150 HB2 ALA 19 HB2 ALA 19 22.526 3.735 -3.403 151 HB3 ALA 19 HB3 ALA 19 23.042 5.117 -2.436 152 H VAL 20 H VAL 20 21.128 3.128 -0.540 153 HA VAL 20 HA VAL 20 20.194 0.767 -1.964 154 HB VAL 20 HB VAL 20 21.857 0.962 -0.023 155 HG11 VAL 20 HG11 VAL 20 19.757 2.271 1.199 156 HG12 VAL 20 HG12 VAL 20 21.162 1.612 2.035 157 HG13 VAL 20 HG13 VAL 20 19.677 0.667 1.924 158 HG21 VAL 20 HG21 VAL 20 19.700 -0.979 0.722 159 HG22 VAL 20 HG22 VAL 20 21.440 -1.239 0.583 160 HG23 VAL 20 HG23 VAL 20 20.446 -1.128 -0.870 161 H GLU 21 H GLU 21 18.699 3.254 0.005 162 HA GLU 21 HA GLU 21 16.277 1.750 0.612 163 HB2 GLU 21 HB3 GLU 21 17.500 4.335 1.128 164 HB3 GLU 21 HB2 GLU 21 15.791 4.524 0.729 165 HG2 GLU 21 HG3 GLU 21 16.711 2.439 2.707 166 HG3 GLU 21 HG2 GLU 21 16.396 4.101 3.208 167 H GLN 22 H GLN 22 17.410 3.738 -2.038 168 HA GLN 22 HA GLN 22 14.789 4.221 -3.215 169 HB2 GLN 22 HB3 GLN 22 17.082 5.454 -3.478 170 HB3 GLN 22 HB2 GLN 22 17.427 4.208 -4.675 171 HG2 GLN 22 HG3 GLN 22 16.173 5.288 -6.197 172 HG3 GLN 22 HG2 GLN 22 14.775 5.211 -5.125 173 HE21 GLN 22 HE22 GLN 22 14.062 7.180 -4.267 174 HE22 GLN 22 HE21 GLN 22 14.954 8.624 -4.294 175 H PHE 23 H PHE 23 17.452 1.949 -3.810 176 HA PHE 23 HA PHE 23 16.308 0.577 -6.039 177 HB2 PHE 23 HB3 PHE 23 18.236 -0.192 -3.831 178 HB3 PHE 23 HB2 PHE 23 17.890 -1.250 -5.195 179 HD1 PHE 23 HD2 PHE 23 17.588 2.159 -6.174 180 HD2 PHE 23 HD1 PHE 23 20.486 -0.919 -5.420 181 HE1 PHE 23 HE2 PHE 23 19.246 3.386 -7.548 182 HE2 PHE 23 HE1 PHE 23 22.146 0.309 -6.795 183 HZ PHE 23 HZ PHE 23 21.526 2.462 -7.859 184 H ILE 24 H ILE 24 15.708 0.367 -2.583 185 HA ILE 24 HA ILE 24 14.434 -2.212 -2.532 186 HB ILE 24 HB ILE 24 14.333 0.299 -0.849 187 HG12 ILE 24 HG13 ILE 24 15.456 -2.480 -0.360 188 HG13 ILE 24 HG12 ILE 24 16.405 -1.078 -0.855 189 HG21 ILE 24 HG21 ILE 24 13.056 -2.367 -0.174 190 HG22 ILE 24 HG22 ILE 24 12.152 -0.956 -0.726 191 HG23 ILE 24 HG23 ILE 24 13.029 -0.899 0.803 192 HD11 ILE 24 HD11 ILE 24 16.684 -0.999 1.453 193 HD12 ILE 24 HD12 ILE 24 15.066 -1.626 1.772 194 HD13 ILE 24 HD13 ILE 24 15.278 0.046 1.252 195 H SER 25 H SER 25 13.234 1.074 -3.169 196 HA SER 25 HA SER 25 10.430 0.417 -3.185 197 HB2 SER 25 HB3 SER 25 11.378 2.689 -2.966 198 HB3 SER 25 HB2 SER 25 12.024 2.580 -4.601 199 HG SER 25 HG SER 25 9.873 3.639 -4.227 200 H ARG 26 H ARG 26 12.993 0.109 -5.562 201 HA ARG 26 HA ARG 26 11.080 -0.444 -7.757 202 HB2 ARG 26 HB3 ARG 26 14.058 -0.102 -7.433 203 HB3 ARG 26 HB2 ARG 26 13.401 -0.786 -8.920 204 HG2 ARG 26 HG3 ARG 26 12.108 1.183 -9.362 205 HG3 ARG 26 HG2 ARG 26 12.428 1.831 -7.753 206 HD2 ARG 26 HD3 ARG 26 14.856 1.976 -8.320 207 HD3 ARG 26 HD2 ARG 26 14.474 1.428 -9.964 208 HE ARG 26 HE ARG 26 12.747 3.607 -9.269 209 HH11 ARG 26 HH22 ARG 26 15.746 2.688 -10.633 210 HH12 ARG 26 HH21 ARG 26 16.213 4.301 -11.057 211 HH21 ARG 26 HH11 ARG 26 13.456 5.778 -9.560 212 HH22 ARG 26 HH12 ARG 26 14.917 6.050 -10.449 213 H PHE 27 H PHE 27 13.149 -2.138 -5.494 214 HA PHE 27 HA PHE 27 13.258 -4.659 -6.925 215 HB2 PHE 27 HB3 PHE 27 14.421 -3.457 -4.694 216 HB3 PHE 27 HB2 PHE 27 13.454 -4.773 -4.009 217 HD1 PHE 27 HD1 PHE 27 16.233 -3.889 -6.205 218 HD2 PHE 27 HD2 PHE 27 13.907 -7.067 -4.552 219 HE1 PHE 27 HE1 PHE 27 17.962 -5.521 -6.945 220 HE2 PHE 27 HE2 PHE 27 15.620 -8.721 -5.281 221 HZ PHE 27 HZ PHE 27 17.652 -7.941 -6.479 222 H ASN 28 H ASN 28 10.800 -3.057 -5.144 223 HA ASN 28 HA ASN 28 9.398 -5.176 -3.894 224 HB2 ASN 28 HB3 ASN 28 8.806 -2.883 -3.527 225 HB3 ASN 28 HB2 ASN 28 8.551 -2.608 -5.249 226 HD21 ASN 28 HD22 ASN 28 7.144 -4.106 -2.357 227 HD22 ASN 28 HD21 ASN 28 5.603 -4.354 -3.023 228 H SER 29 H SER 29 9.715 -6.980 -5.465 229 HA SER 29 HA SER 29 7.785 -6.840 -7.762 230 HB2 SER 29 HB3 SER 29 10.559 -7.863 -7.413 231 HB3 SER 29 HB2 SER 29 9.493 -8.830 -8.429 232 HG SER 29 HG SER 29 9.546 -6.049 -8.766 233 H GLY 30 H GLY 30 9.095 -8.801 -5.114 234 HA2 GLY 30 HA3 GLY 30 7.392 -11.088 -5.668 235 HA3 GLY 30 HA2 GLY 30 8.321 -10.827 -4.191 236 H TYR 31 H TYR 31 7.167 -8.188 -3.747 237 HA TYR 31 HA TYR 31 4.892 -8.928 -2.163 238 HB2 TYR 31 HB3 TYR 31 6.522 -7.040 -1.803 239 HB3 TYR 31 HB2 TYR 31 5.795 -6.212 -3.176 240 HD1 TYR 31 HD1 TYR 31 3.248 -8.058 -1.562 241 HD2 TYR 31 HD2 TYR 31 5.599 -4.487 -1.155 242 HE1 TYR 31 HE1 TYR 31 1.523 -7.095 -0.072 243 HE2 TYR 31 HE2 TYR 31 3.870 -3.523 0.338 244 HH TYR 31 HH TYR 31 1.747 -5.082 1.937 245 H ILE 32 H ILE 32 5.198 -8.521 -5.501 246 HA ILE 32 HA ILE 32 2.642 -7.210 -6.040 247 HB ILE 32 HB ILE 32 4.779 -8.659 -7.597 248 HG12 ILE 32 HG13 ILE 32 5.066 -6.466 -8.626 249 HG13 ILE 32 HG12 ILE 32 3.632 -5.857 -7.797 250 HG21 ILE 32 HG21 ILE 32 2.093 -7.695 -8.619 251 HG22 ILE 32 HG22 ILE 32 2.736 -9.334 -8.704 252 HG23 ILE 32 HG23 ILE 32 3.468 -8.049 -9.665 253 HD11 ILE 32 HD11 ILE 32 4.702 -6.139 -5.632 254 HD12 ILE 32 HD12 ILE 32 5.772 -5.199 -6.672 255 HD13 ILE 32 HD13 ILE 32 6.100 -6.908 -6.384 256 H LYS 33 H LYS 33 3.734 -10.467 -5.440 257 HA LYS 33 HA LYS 33 1.570 -11.892 -6.702 258 HB2 LYS 33 HB3 LYS 33 3.729 -12.880 -6.041 259 HB3 LYS 33 HB2 LYS 33 3.364 -12.562 -4.346 260 HG2 LYS 33 HG3 LYS 33 1.116 -13.925 -5.214 261 HG3 LYS 33 HG2 LYS 33 2.425 -14.733 -6.077 262 HD2 LYS 33 HD3 LYS 33 3.074 -14.166 -3.273 263 HD3 LYS 33 HD2 LYS 33 1.690 -15.243 -3.460 264 HE2 LYS 33 HE3 LYS 33 3.367 -16.831 -3.596 265 HE3 LYS 33 HE2 LYS 33 3.363 -16.332 -5.300 266 HZ1 LYS 33 HZ1 LYS 33 4.991 -15.036 -3.179 267 HZ2 LYS 33 HZ2 LYS 33 5.040 -14.704 -4.841 268 HZ3 LYS 33 HZ3 LYS 33 5.590 -16.202 -4.260 269 H ALA 34 H ALA 34 1.998 -10.413 -3.510 270 HA ALA 34 HA ALA 34 -0.241 -11.580 -2.181 271 HB1 ALA 34 HB1 ALA 34 1.748 -9.591 -1.771 272 HB2 ALA 34 HB2 ALA 34 0.674 -10.297 -0.563 273 HB3 ALA 34 HB3 ALA 34 0.193 -8.835 -1.423 274 H SER 35 H SER 35 0.007 -8.861 -4.426 275 HA SER 35 HA SER 35 -2.583 -7.726 -4.019 276 HB2 SER 35 HB3 SER 35 -0.434 -7.033 -5.408 277 HB3 SER 35 HB2 SER 35 -1.271 -7.868 -6.715 278 HG SER 35 HG SER 35 -2.126 -5.645 -5.182 279 H GLN 36 H GLN 36 -1.457 -10.337 -6.146 280 HA GLN 36 HA GLN 36 -3.957 -10.774 -7.502 281 HB2 GLN 36 HB3 GLN 36 -1.552 -11.575 -8.030 282 HB3 GLN 36 HB2 GLN 36 -1.866 -12.863 -6.868 283 HG2 GLN 36 HG3 GLN 36 -2.707 -13.969 -8.670 284 HG3 GLN 36 HG2 GLN 36 -4.133 -12.970 -8.388 285 HE21 GLN 36 HE22 GLN 36 -4.826 -11.987 -10.285 286 HE22 GLN 36 HE21 GLN 36 -3.811 -11.440 -11.531 287 H GLU 37 H GLU 37 -2.446 -12.320 -4.683 288 HA GLU 37 HA GLU 37 -4.459 -14.217 -4.077 289 HB2 GLU 37 HB3 GLU 37 -2.498 -12.616 -2.416 290 HB3 GLU 37 HB2 GLU 37 -3.486 -13.901 -1.723 291 HG2 GLU 37 HG3 GLU 37 -1.937 -14.486 -4.216 292 HG3 GLU 37 HG2 GLU 37 -1.069 -14.425 -2.682 293 H LEU 38 H LEU 38 -4.318 -10.748 -3.481 294 HA LEU 38 HA LEU 38 -6.495 -10.646 -1.571 295 HB2 LEU 38 HB3 LEU 38 -4.765 -8.835 -3.137 296 HB3 LEU 38 HB2 LEU 38 -6.362 -8.178 -2.776 297 HG LEU 38 HG LEU 38 -4.602 -7.698 -1.019 298 HD11 LEU 38 HD11 LEU 38 -7.287 -8.790 -0.687 299 HD12 LEU 38 HD12 LEU 38 -6.528 -7.421 0.127 300 HD13 LEU 38 HD13 LEU 38 -6.288 -9.056 0.742 301 HD21 LEU 38 HD21 LEU 38 -4.144 -9.648 0.530 302 HD22 LEU 38 HD22 LEU 38 -3.375 -9.779 -1.052 303 HD23 LEU 38 HD23 LEU 38 -4.835 -10.705 -0.702 304 H VAL 39 H VAL 39 -6.267 -10.550 -5.089 305 HA VAL 39 HA VAL 39 -8.947 -9.633 -5.613 306 HB VAL 39 HB VAL 39 -7.247 -11.463 -7.318 307 HG11 VAL 39 HG11 VAL 39 -8.968 -9.114 -8.127 308 HG12 VAL 39 HG12 VAL 39 -9.613 -10.749 -7.992 309 HG13 VAL 39 HG13 VAL 39 -8.334 -10.399 -9.154 310 HG21 VAL 39 HG21 VAL 39 -6.737 -8.761 -7.979 311 HG22 VAL 39 HG22 VAL 39 -5.608 -9.916 -7.270 312 HG23 VAL 39 HG23 VAL 39 -6.574 -8.873 -6.226 313 H SER 40 H SER 40 -7.557 -12.765 -4.848 314 HA SER 40 HA SER 40 -9.746 -14.411 -5.739 315 HB2 SER 40 HB3 SER 40 -7.256 -14.873 -4.933 316 HB3 SER 40 HB2 SER 40 -8.034 -15.078 -3.366 317 HG SER 40 HG SER 40 -9.520 -16.519 -4.568 318 H TYR 41 H TYR 41 -9.202 -12.457 -2.881 319 HA TYR 41 HA TYR 41 -11.137 -13.686 -1.144 320 HB2 TYR 41 HB3 TYR 41 -9.365 -12.169 -0.394 321 HB3 TYR 41 HB2 TYR 41 -10.048 -10.860 -1.358 322 HD1 TYR 41 HD1 TYR 41 -12.396 -10.038 -0.825 323 HD2 TYR 41 HD2 TYR 41 -10.190 -12.646 1.780 324 HE1 TYR 41 HE1 TYR 41 -13.903 -9.438 1.051 325 HE2 TYR 41 HE2 TYR 41 -11.697 -12.046 3.656 326 HH TYR 41 HH TYR 41 -14.406 -9.771 3.181 327 H THR 42 H THR 42 -11.384 -11.357 -3.768 328 HA THR 42 HA THR 42 -14.259 -10.878 -3.141 329 HB THR 42 HB THR 42 -12.175 -9.577 -4.894 330 HG1 THR 42 HG1 THR 42 -12.279 -8.056 -3.418 331 HG21 THR 42 HG21 THR 42 -14.384 -9.713 -6.086 332 HG22 THR 42 HG22 THR 42 -13.863 -8.065 -5.737 333 HG23 THR 42 HG23 THR 42 -15.104 -8.827 -4.742 334 H ILE 43 H ILE 43 -12.161 -11.865 -5.856 335 HA ILE 43 HA ILE 43 -14.096 -12.389 -7.813 336 HB ILE 43 HB ILE 43 -11.494 -13.711 -7.041 337 HG12 ILE 43 HG13 ILE 43 -11.608 -11.331 -7.931 338 HG13 ILE 43 HG12 ILE 43 -10.604 -12.433 -8.873 339 HG21 ILE 43 HG21 ILE 43 -12.149 -15.475 -8.311 340 HG22 ILE 43 HG22 ILE 43 -11.906 -14.386 -9.676 341 HG23 ILE 43 HG23 ILE 43 -13.517 -14.592 -8.987 342 HD11 ILE 43 HD11 ILE 43 -13.466 -11.646 -9.498 343 HD12 ILE 43 HD12 ILE 43 -12.521 -12.823 -10.412 344 HD13 ILE 43 HD13 ILE 43 -12.027 -11.130 -10.379 345 H LYS 44 H LYS 44 -13.384 -14.172 -4.880 346 HA LYS 44 HA LYS 44 -15.182 -16.397 -5.731 347 HB2 LYS 44 HB3 LYS 44 -13.142 -15.978 -3.539 348 HB3 LYS 44 HB2 LYS 44 -14.203 -17.386 -3.570 349 HG2 LYS 44 HG3 LYS 44 -12.888 -16.834 -6.144 350 HG3 LYS 44 HG2 LYS 44 -11.767 -17.235 -4.842 351 HD2 LYS 44 HD3 LYS 44 -12.862 -19.320 -4.416 352 HD3 LYS 44 HD2 LYS 44 -14.236 -18.882 -5.433 353 HE2 LYS 44 HE3 LYS 44 -12.149 -18.615 -7.204 354 HE3 LYS 44 HE2 LYS 44 -11.617 -19.991 -6.216 355 HZ1 LYS 44 HZ1 LYS 44 -13.165 -20.538 -8.119 356 HZ2 LYS 44 HZ2 LYS 44 -14.384 -19.748 -7.245 357 HZ3 LYS 44 HZ3 LYS 44 -13.627 -21.122 -6.593 358 H LEU 45 H LEU 45 -15.894 -13.561 -4.729 359 HA LEU 45 HA LEU 45 -17.343 -14.155 -2.216 360 HB2 LEU 45 HB3 LEU 45 -16.074 -11.957 -3.294 361 HB3 LEU 45 HB2 LEU 45 -17.772 -11.588 -3.601 362 HG LEU 45 HG LEU 45 -17.180 -10.709 -1.417 363 HD11 LEU 45 HD11 LEU 45 -18.683 -13.291 -0.936 364 HD12 LEU 45 HD12 LEU 45 -19.402 -11.920 -1.782 365 HD13 LEU 45 HD13 LEU 45 -18.887 -11.749 -0.104 366 HD21 LEU 45 HD21 LEU 45 -16.687 -13.095 0.069 367 HD22 LEU 45 HD22 LEU 45 -15.594 -11.735 -0.189 368 HD23 LEU 45 HD23 LEU 45 -15.591 -13.095 -1.313 369 H SER 46 H SER 46 -18.145 -15.536 -4.714 370 HA SER 46 HA SER 46 -21.003 -15.157 -4.549 371 HB2 SER 46 HB3 SER 46 -19.588 -13.295 -6.096 372 HB3 SER 46 HB2 SER 46 -20.269 -14.418 -7.270 373 HG SER 46 HG SER 46 -21.495 -12.559 -5.694 374 H HIS 47 H HIS 47 -19.748 -17.497 -4.312 375 HA HIS 47 HA HIS 47 -20.163 -18.859 -6.947 376 HB2 HIS 47 HB3 HIS 47 -17.814 -18.584 -5.319 377 HB3 HIS 47 HB2 HIS 47 -18.292 -20.280 -5.334 378 HD1 HIS 47 HD1 HIS 47 -18.721 -17.804 -8.181 379 HD2 HIS 47 HD2 HIS 47 -16.547 -21.248 -7.290 380 HE1 HIS 47 HE1 HIS 47 -17.548 -18.484 -10.319 381 H ASP 48 H ASP 48 -21.706 -18.416 -4.319 382 HA ASP 48 HA ASP 48 -22.087 -20.480 -2.612 383 HB2 ASP 48 HB3 ASP 48 -23.526 -18.380 -3.326 384 HB3 ASP 48 HB2 ASP 48 -24.471 -19.603 -4.172 385 HA PRO 49 HA PRO 49 -22.320 -23.809 -5.673 386 HB2 PRO 49 HB2 PRO 49 -21.268 -25.673 -3.969 387 HB3 PRO 49 HB3 PRO 49 -20.265 -24.559 -4.918 388 HG2 PRO 49 HG3 PRO 49 -21.031 -24.440 -2.049 389 HG3 PRO 49 HG2 PRO 49 -19.510 -23.987 -2.833 390 HD2 PRO 49 HD3 PRO 49 -21.431 -22.185 -2.038 391 HD3 PRO 49 HD2 PRO 49 -20.251 -21.876 -3.328 392 H ILE 50 H ILE 50 -23.278 -23.771 -2.264 393 HA ILE 50 HA ILE 50 -25.068 -26.035 -2.406 394 HB ILE 50 HB ILE 50 -25.158 -23.659 -0.534 395 HG12 ILE 50 HG13 ILE 50 -23.627 -25.890 0.466 396 HG13 ILE 50 HG12 ILE 50 -22.949 -25.352 -1.072 397 HG21 ILE 50 HG21 ILE 50 -25.834 -26.597 -0.200 398 HG22 ILE 50 HG22 ILE 50 -26.993 -25.272 -0.299 399 HG23 ILE 50 HG23 ILE 50 -25.904 -25.390 1.083 400 HD11 ILE 50 HD11 ILE 50 -22.218 -24.194 1.197 401 HD12 ILE 50 HD12 ILE 50 -23.711 -23.285 0.957 402 HD13 ILE 50 HD13 ILE 50 -22.443 -23.236 -0.267 403 H GLU 51 H GLU 51 -25.464 -22.548 -2.865 404 HA GLU 51 HA GLU 51 -28.371 -22.678 -3.118 405 HB2 GLU 51 HB3 GLU 51 -26.163 -20.679 -3.403 406 HB3 GLU 51 HB2 GLU 51 -27.714 -20.297 -4.151 407 HG2 GLU 51 HG3 GLU 51 -28.030 -21.372 -1.455 408 HG3 GLU 51 HG2 GLU 51 -27.054 -19.902 -1.475 409 H TYR 52 H TYR 52 -25.616 -22.971 -5.263 410 HA TYR 52 HA TYR 52 -27.215 -22.613 -7.712 411 HB2 TYR 52 HB3 TYR 52 -24.387 -22.983 -6.889 412 HB3 TYR 52 HB2 TYR 52 -24.804 -23.611 -8.485 413 HD1 TYR 52 HD2 TYR 52 -25.242 -20.566 -6.342 414 HD2 TYR 52 HD1 TYR 52 -24.879 -22.155 -10.316 415 HE1 TYR 52 HE2 TYR 52 -25.206 -18.262 -7.260 416 HE2 TYR 52 HE1 TYR 52 -24.842 -19.851 -11.234 417 HH TYR 52 HH TYR 52 -25.247 -17.672 -10.744 418 H LEU 53 H LEU 53 -26.129 -25.236 -5.659 419 HA LEU 53 HA LEU 53 -26.666 -27.307 -7.690 420 HB2 LEU 53 HB3 LEU 53 -25.006 -27.068 -5.527 421 HB3 LEU 53 HB2 LEU 53 -26.321 -28.022 -4.841 422 HG LEU 53 HG LEU 53 -24.555 -29.457 -5.840 423 HD11 LEU 53 HD11 LEU 53 -26.612 -30.037 -7.788 424 HD12 LEU 53 HD12 LEU 53 -27.346 -29.577 -6.251 425 HD13 LEU 53 HD13 LEU 53 -26.202 -30.917 -6.316 426 HD21 LEU 53 HD21 LEU 53 -24.475 -27.510 -7.799 427 HD22 LEU 53 HD22 LEU 53 -25.332 -28.824 -8.605 428 HD23 LEU 53 HD23 LEU 53 -23.728 -29.103 -7.926 429 H LEU 54 H LEU 54 -28.238 -25.869 -4.883 430 HA LEU 54 HA LEU 54 -30.304 -27.872 -4.587 431 HB2 LEU 54 HB3 LEU 54 -29.518 -25.259 -3.515 432 HB3 LEU 54 HB2 LEU 54 -31.270 -25.461 -3.595 433 HG LEU 54 HG LEU 54 -30.386 -26.279 -1.441 434 HD11 LEU 54 HD11 LEU 54 -31.110 -28.747 -2.991 435 HD12 LEU 54 HD12 LEU 54 -32.284 -27.438 -2.855 436 HD13 LEU 54 HD13 LEU 54 -31.670 -28.226 -1.402 437 HD21 LEU 54 HD21 LEU 54 -28.465 -27.562 -3.259 438 HD22 LEU 54 HD22 LEU 54 -29.108 -28.658 -2.036 439 HD23 LEU 54 HD23 LEU 54 -28.300 -27.169 -1.547 440 H GLU 55 H GLU 55 -29.955 -24.957 -6.540 441 HA GLU 55 HA GLU 55 -32.760 -24.867 -7.355 442 HB2 GLU 55 HB3 GLU 55 -30.588 -23.162 -7.329 443 HB3 GLU 55 HB2 GLU 55 -30.727 -23.564 -9.040 444 HG2 GLU 55 HG3 GLU 55 -33.363 -23.121 -8.053 445 HG3 GLU 55 HG2 GLU 55 -32.357 -21.779 -7.502 446 H GLN 56 H GLN 56 -29.775 -26.278 -8.585 447 HA GLN 56 HA GLN 56 -30.917 -26.972 -11.196 448 HB2 GLN 56 HB3 GLN 56 -28.460 -26.469 -10.464 449 HB3 GLN 56 HB2 GLN 56 -28.447 -28.150 -9.928 450 HG2 GLN 56 HG3 GLN 56 -27.703 -28.386 -12.120 451 HG3 GLN 56 HG2 GLN 56 -29.441 -28.602 -12.334 452 HE21 GLN 56 HE22 GLN 56 -30.334 -27.306 -13.939 453 HE22 GLN 56 HE21 GLN 56 -29.687 -25.832 -14.477 454 H ILE 57 H ILE 57 -30.822 -28.373 -8.023 455 HA ILE 57 HA ILE 57 -31.355 -31.109 -9.008 456 HB ILE 57 HB ILE 57 -30.152 -29.899 -6.768 457 HG12 ILE 57 HG13 ILE 57 -29.433 -31.982 -7.801 458 HG13 ILE 57 HG12 ILE 57 -29.770 -32.276 -6.095 459 HG21 ILE 57 HG21 ILE 57 -31.409 -31.095 -4.912 460 HG22 ILE 57 HG22 ILE 57 -32.737 -31.291 -6.057 461 HG23 ILE 57 HG23 ILE 57 -32.218 -29.676 -5.580 462 HD11 ILE 57 HD11 ILE 57 -31.928 -32.677 -8.154 463 HD12 ILE 57 HD12 ILE 57 -31.776 -33.402 -6.554 464 HD13 ILE 57 HD13 ILE 57 -30.729 -33.939 -7.867 465 H GLN 58 H GLN 58 -33.064 -28.350 -7.667 466 HA GLN 58 HA GLN 58 -35.535 -29.843 -7.140 467 HB2 GLN 58 HB3 GLN 58 -34.355 -27.440 -6.364 468 HB3 GLN 58 HB2 GLN 58 -35.699 -26.930 -7.387 469 HG2 GLN 58 HG3 GLN 58 -36.371 -27.172 -5.000 470 HG3 GLN 58 HG2 GLN 58 -37.261 -28.264 -6.062 471 HE21 GLN 58 HE22 GLN 58 -37.606 -29.977 -4.546 472 HE22 GLN 58 HE21 GLN 58 -36.336 -30.870 -3.859 473 H ASN 59 H ASN 59 -34.102 -28.087 -9.799 474 HA ASN 59 HA ASN 59 -36.655 -27.814 -11.258 475 HB2 ASN 59 HB3 ASN 59 -34.270 -26.445 -11.151 476 HB3 ASN 59 HB2 ASN 59 -34.088 -27.371 -12.642 477 HD21 ASN 59 HD22 ASN 59 -34.250 -24.852 -13.331 478 HD22 ASN 59 HD21 ASN 59 -35.810 -24.351 -13.775 479 H LEU 60 H LEU 60 -33.850 -29.929 -11.168 480 HA LEU 60 HA LEU 60 -34.544 -31.272 -13.699 481 HB2 LEU 60 HB3 LEU 60 -32.269 -30.864 -12.144 482 HB3 LEU 60 HB2 LEU 60 -32.630 -32.573 -11.907 483 HG LEU 60 HG LEU 60 -33.028 -32.106 -14.651 484 HD11 LEU 60 HD11 LEU 60 -30.466 -31.340 -14.972 485 HD12 LEU 60 HD12 LEU 60 -30.838 -30.454 -13.493 486 HD13 LEU 60 HD13 LEU 60 -31.800 -30.186 -14.947 487 HD21 LEU 60 HD21 LEU 60 -30.687 -33.315 -13.144 488 HD22 LEU 60 HD22 LEU 60 -31.013 -33.560 -14.859 489 HD23 LEU 60 HD23 LEU 60 -32.147 -34.163 -13.651 490 H HIS 61 H HIS 61 -35.111 -31.690 -10.270 491 HA HIS 61 HA HIS 61 -35.675 -34.479 -10.171 492 HB2 HIS 61 HB3 HIS 61 -35.643 -32.329 -8.460 493 HB3 HIS 61 HB2 HIS 61 -37.367 -32.683 -8.552 494 HD1 HIS 61 HD1 HIS 61 -38.203 -34.814 -7.434 495 HD2 HIS 61 HD2 HIS 61 -34.044 -34.536 -7.457 496 HE1 HIS 61 HE1 HIS 61 -37.352 -36.680 -5.947 497 H ARG 62 H ARG 62 -37.584 -31.757 -11.324 498 HA ARG 62 HA ARG 62 -40.162 -32.993 -11.357 499 HB2 ARG 62 HB3 ARG 62 -39.043 -30.553 -11.956 500 HB3 ARG 62 HB2 ARG 62 -39.489 -31.146 -13.557 501 HG2 ARG 62 HG3 ARG 62 -41.571 -30.398 -13.084 502 HG3 ARG 62 HG2 ARG 62 -41.697 -31.796 -12.016 503 HD2 ARG 62 HD3 ARG 62 -40.241 -29.706 -10.661 504 HD3 ARG 62 HD2 ARG 62 -41.786 -29.068 -11.255 505 HE ARG 62 HE ARG 62 -42.157 -31.693 -10.125 506 HH11 ARG 62 HH11 ARG 62 -40.824 -28.866 -8.842 507 HH12 ARG 62 HH12 ARG 62 -41.942 -28.739 -7.524 508 HH21 ARG 62 HH22 ARG 62 -43.954 -31.335 -8.633 509 HH22 ARG 62 HH21 ARG 62 -43.713 -30.137 -7.406 510 H VAL 63 H VAL 63 -37.406 -33.216 -13.536 511 HA VAL 63 HA VAL 63 -38.968 -34.652 -15.596 512 HB VAL 63 HB VAL 63 -36.120 -33.707 -15.253 513 HG11 VAL 63 HG11 VAL 63 -36.552 -34.593 -17.914 514 HG12 VAL 63 HG12 VAL 63 -37.049 -35.912 -16.853 515 HG13 VAL 63 HG13 VAL 63 -35.418 -35.250 -16.733 516 HG21 VAL 63 HG21 VAL 63 -38.533 -32.922 -16.853 517 HG22 VAL 63 HG22 VAL 63 -36.933 -32.595 -17.517 518 HG23 VAL 63 HG23 VAL 63 -37.403 -31.900 -15.966 519 H THR 64 H THR 64 -36.799 -35.344 -12.930 520 HA THR 64 HA THR 64 -36.215 -38.087 -13.782 521 HB THR 64 HB THR 64 -35.888 -37.134 -10.970 522 HG1 THR 64 HG1 THR 64 -34.330 -36.143 -13.117 523 HG21 THR 64 HG21 THR 64 -34.050 -38.456 -12.986 524 HG22 THR 64 HG22 THR 64 -34.958 -39.285 -11.721 525 HG23 THR 64 HG23 THR 64 -33.666 -38.164 -11.290 526 H LEU 65 H LEU 65 -38.772 -36.487 -12.098 527 HA LEU 65 HA LEU 65 -39.647 -38.908 -10.645 528 HB2 LEU 65 HB3 LEU 65 -39.849 -36.149 -10.321 529 HB3 LEU 65 HB2 LEU 65 -41.476 -36.629 -10.805 530 HG LEU 65 HG LEU 65 -41.182 -36.729 -8.342 531 HD11 LEU 65 HD11 LEU 65 -42.807 -38.233 -9.281 532 HD12 LEU 65 HD12 LEU 65 -41.883 -39.155 -8.095 533 HD13 LEU 65 HD13 LEU 65 -41.550 -39.349 -9.816 534 HD21 LEU 65 HD21 LEU 65 -39.486 -39.141 -8.479 535 HD22 LEU 65 HD22 LEU 65 -39.426 -37.788 -7.349 536 HD23 LEU 65 HD23 LEU 65 -38.662 -37.649 -8.932 537 H ALA 66 H ALA 66 -40.337 -37.202 -13.624 538 HA ALA 66 HA ALA 66 -42.426 -39.256 -14.253 539 HB1 ALA 66 HB1 ALA 66 -42.495 -36.266 -14.784 540 HB2 ALA 66 HB2 ALA 66 -43.459 -37.119 -13.577 541 HB3 ALA 66 HB3 ALA 66 -43.730 -37.417 -15.295 542 H GLU 67 H GLU 67 -39.636 -39.268 -15.038 543 HA GLU 67 HA GLU 67 -38.262 -39.311 -16.974 544 HB2 GLU 67 HB3 GLU 67 -41.028 -40.219 -17.791 545 HB3 GLU 67 HB2 GLU 67 -39.661 -40.309 -18.901 546 HG2 GLU 67 HG3 GLU 67 -38.559 -41.917 -17.637 547 HG3 GLU 67 HG2 GLU 67 -39.352 -41.429 -16.139 548 H GLY 68 H GLY 68 -39.382 -36.671 -16.399 549 HA2 GLY 68 HA3 GLY 68 -39.006 -34.659 -17.688 550 HA3 GLY 68 HA2 GLY 68 -39.310 -35.581 -19.162 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 38.906 23.488 12.693 2 H2 ASP 1 H2 ASP 1 37.852 24.631 12.008 3 H3 ASP 1 H3 ASP 1 38.312 23.257 11.121 4 HA ASP 1 HA ASP 1 36.725 23.172 13.638 5 HB2 ASP 1 HB3 ASP 1 35.944 24.221 11.260 6 HB3 ASP 1 HB2 ASP 1 35.593 22.517 10.968 7 H GLN 2 H GLN 2 35.330 20.951 13.173 8 HA GLN 2 HA GLN 2 37.358 18.824 13.165 9 HB2 GLN 2 HB3 GLN 2 34.345 18.563 13.305 10 HB3 GLN 2 HB2 GLN 2 35.561 17.497 14.010 11 HG2 GLN 2 HG3 GLN 2 36.302 19.464 15.437 12 HG3 GLN 2 HG2 GLN 2 34.862 20.313 14.871 13 HE21 GLN 2 HE22 GLN 2 32.794 18.659 15.024 14 HE22 GLN 2 HE21 GLN 2 32.643 17.912 16.541 15 H ASN 3 H ASN 3 36.387 16.695 11.951 16 HA ASN 3 HA ASN 3 35.229 17.309 9.314 17 HB2 ASN 3 HB3 ASN 3 38.029 16.194 9.605 18 HB3 ASN 3 HB2 ASN 3 37.186 16.541 8.097 19 HD21 ASN 3 HD22 ASN 3 37.169 18.722 7.345 20 HD22 ASN 3 HD21 ASN 3 37.947 19.992 8.158 21 H HIS 4 H HIS 4 33.657 15.757 9.828 22 HA HIS 4 HA HIS 4 32.742 13.600 10.235 23 HB2 HIS 4 HB3 HIS 4 34.206 13.814 7.910 24 HB3 HIS 4 HB2 HIS 4 34.909 12.376 8.654 25 HD1 HIS 4 HD1 HIS 4 32.339 13.193 6.393 26 HD2 HIS 4 HD2 HIS 4 32.497 10.676 9.711 27 HE1 HIS 4 HE1 HIS 4 30.416 11.563 6.148 28 H ILE 5 H ILE 5 34.318 14.283 12.416 29 HA ILE 5 HA ILE 5 36.136 11.973 12.896 30 HB ILE 5 HB ILE 5 35.588 14.513 14.448 31 HG12 ILE 5 HG13 ILE 5 36.569 14.825 12.148 32 HG13 ILE 5 HG12 ILE 5 37.629 15.369 13.449 33 HG21 ILE 5 HG21 ILE 5 36.921 13.670 16.055 34 HG22 ILE 5 HG22 ILE 5 38.185 13.332 14.872 35 HG23 ILE 5 HG23 ILE 5 36.932 12.133 15.191 36 HD11 ILE 5 HD11 ILE 5 38.933 13.333 13.324 37 HD12 ILE 5 HD12 ILE 5 38.800 13.996 11.695 38 HD13 ILE 5 HD13 ILE 5 37.799 12.626 12.175 39 H GLU 6 H GLU 6 32.993 12.410 13.116 40 HA GLU 6 HA GLU 6 32.638 10.476 15.285 41 HB2 GLU 6 HB3 GLU 6 32.076 13.416 15.562 42 HB3 GLU 6 HB2 GLU 6 31.050 12.262 16.416 43 HG2 GLU 6 HG3 GLU 6 33.564 11.286 16.954 44 HG3 GLU 6 HG2 GLU 6 33.845 13.028 16.938 45 H GLN 7 H GLN 7 30.336 9.813 15.449 46 HA GLN 7 HA GLN 7 28.393 9.068 14.303 47 HB2 GLN 7 HB3 GLN 7 28.508 11.928 14.720 48 HB3 GLN 7 HB2 GLN 7 27.551 11.569 13.282 49 HG2 GLN 7 HG3 GLN 7 25.950 10.394 14.467 50 HG3 GLN 7 HG2 GLN 7 27.087 9.911 15.727 51 HE21 GLN 7 HE22 GLN 7 27.092 11.153 17.626 52 HE22 GLN 7 HE21 GLN 7 26.301 12.645 17.798 53 HA PRO 8 HA PRO 8 30.473 9.389 10.144 54 HB2 PRO 8 HB2 PRO 8 30.893 6.704 9.822 55 HB3 PRO 8 HB3 PRO 8 32.057 7.773 10.631 56 HG2 PRO 8 HG3 PRO 8 30.074 5.897 11.810 57 HG3 PRO 8 HG2 PRO 8 31.720 6.279 12.336 58 HD2 PRO 8 HD3 PRO 8 29.471 7.295 13.515 59 HD3 PRO 8 HD2 PRO 8 31.051 8.110 13.529 60 H PHE 9 H PHE 9 27.733 7.941 11.548 61 HA PHE 9 HA PHE 9 26.640 7.066 8.907 62 HB2 PHE 9 HB3 PHE 9 26.714 5.812 11.296 63 HB3 PHE 9 HB2 PHE 9 25.186 6.674 11.480 64 HD1 PHE 9 HD1 PHE 9 26.945 4.944 8.643 65 HD2 PHE 9 HD2 PHE 9 23.341 5.366 10.943 66 HE1 PHE 9 HE1 PHE 9 25.824 3.270 7.196 67 HE2 PHE 9 HE2 PHE 9 22.221 3.693 9.494 68 HZ PHE 9 HZ PHE 9 23.463 2.644 7.621 69 H TYR 10 H TYR 10 26.291 9.460 11.436 70 HA TYR 10 HA TYR 10 23.617 10.336 10.768 71 HB2 TYR 10 HB3 TYR 10 24.470 10.843 12.911 72 HB3 TYR 10 HB2 TYR 10 25.986 11.460 12.257 73 HD1 TYR 10 HD1 TYR 10 25.980 13.622 10.950 74 HD2 TYR 10 HD2 TYR 10 22.563 12.251 13.161 75 HE1 TYR 10 HE1 TYR 10 25.020 15.906 10.880 76 HE2 TYR 10 HE2 TYR 10 21.601 14.536 13.091 77 HH TYR 10 HH TYR 10 21.784 16.578 12.173 78 H LEU 11 H LEU 11 26.655 10.719 9.219 79 HA LEU 11 HA LEU 11 25.874 13.244 7.864 80 HB2 LEU 11 HB3 LEU 11 28.266 11.982 8.705 81 HB3 LEU 11 HB2 LEU 11 28.318 12.018 6.942 82 HG LEU 11 HG LEU 11 27.508 14.470 8.492 83 HD11 LEU 11 HD11 LEU 11 29.735 13.567 9.327 84 HD12 LEU 11 HD12 LEU 11 29.794 15.187 8.632 85 HD13 LEU 11 HD13 LEU 11 30.351 13.803 7.691 86 HD21 LEU 11 HD21 LEU 11 28.658 15.481 6.416 87 HD22 LEU 11 HD22 LEU 11 27.119 14.662 6.155 88 HD23 LEU 11 HD23 LEU 11 28.630 13.847 5.755 89 H MET 12 H MET 12 26.913 9.949 6.959 90 HA MET 12 HA MET 12 26.107 10.288 4.174 91 HB2 MET 12 HB3 MET 12 27.353 8.271 5.948 92 HB3 MET 12 HB2 MET 12 26.452 7.605 4.585 93 HG2 MET 12 HG3 MET 12 28.164 8.111 3.219 94 HG3 MET 12 HG2 MET 12 27.954 9.817 3.606 95 HE1 MET 12 HE1 MET 12 31.203 9.561 3.252 96 HE2 MET 12 HE2 MET 12 31.110 10.704 4.599 97 HE3 MET 12 HE3 MET 12 29.822 10.645 3.399 98 H GLY 13 H GLY 13 24.458 9.519 7.076 99 HA2 GLY 13 HA3 GLY 13 22.554 7.616 6.444 100 HA3 GLY 13 HA2 GLY 13 22.164 9.054 7.390 101 H ARG 14 H ARG 14 22.574 11.016 5.388 102 HA ARG 14 HA ARG 14 20.061 11.100 4.088 103 HB2 ARG 14 HB3 ARG 14 21.009 13.006 2.957 104 HB3 ARG 14 HB2 ARG 14 21.745 12.948 4.559 105 HG2 ARG 14 HG3 ARG 14 23.751 11.940 3.684 106 HG3 ARG 14 HG2 ARG 14 23.009 11.710 2.101 107 HD2 ARG 14 HD3 ARG 14 23.301 14.466 3.320 108 HD3 ARG 14 HD2 ARG 14 24.575 13.740 2.321 109 HE ARG 14 HE ARG 14 21.971 13.495 1.068 110 HH11 ARG 14 HH22 ARG 14 23.812 16.144 2.078 111 HH12 ARG 14 HH21 ARG 14 23.900 16.888 0.516 112 HH21 ARG 14 HH11 ARG 14 22.424 14.219 -1.133 113 HH22 ARG 14 HH12 ARG 14 23.115 15.798 -1.302 114 H ASP 15 H ASP 15 23.053 9.539 3.141 115 HA ASP 15 HA ASP 15 21.998 9.012 0.402 116 HB2 ASP 15 HB3 ASP 15 24.664 8.833 1.802 117 HB3 ASP 15 HB2 ASP 15 24.410 8.038 0.247 118 H LYS 16 H LYS 16 22.705 7.441 3.460 119 HA LYS 16 HA LYS 16 22.745 4.720 2.554 120 HB2 LYS 16 HB3 LYS 16 22.345 6.232 5.096 121 HB3 LYS 16 HB2 LYS 16 21.871 4.533 5.085 122 HG2 LYS 16 HG3 LYS 16 24.481 5.058 3.823 123 HG3 LYS 16 HG2 LYS 16 24.425 5.431 5.546 124 HD2 LYS 16 HD3 LYS 16 25.021 3.148 5.494 125 HD3 LYS 16 HD2 LYS 16 23.283 3.118 5.801 126 HE2 LYS 16 HE3 LYS 16 23.040 2.989 3.211 127 HE3 LYS 16 HE2 LYS 16 24.747 2.500 3.235 128 HZ1 LYS 16 HZ1 LYS 16 22.444 1.200 4.560 129 HZ2 LYS 16 HZ2 LYS 16 24.031 0.934 5.096 130 HZ3 LYS 16 HZ3 LYS 16 23.589 0.508 3.512 131 H ALA 17 H ALA 17 20.107 6.733 3.862 132 HA ALA 17 HA ALA 17 18.054 4.733 3.602 133 HB1 ALA 17 HB1 ALA 17 17.045 6.357 4.793 134 HB2 ALA 17 HB2 ALA 17 17.020 7.388 3.363 135 HB3 ALA 17 HB3 ALA 17 18.398 7.438 4.462 136 H LEU 18 H LEU 18 19.507 6.994 1.359 137 HA LEU 18 HA LEU 18 17.383 6.890 -0.630 138 HB2 LEU 18 HB3 LEU 18 19.556 8.463 -0.092 139 HB3 LEU 18 HB2 LEU 18 20.163 7.502 -1.439 140 HG LEU 18 HG LEU 18 17.418 8.671 -1.660 141 HD11 LEU 18 HD11 LEU 18 18.876 10.521 -0.834 142 HD12 LEU 18 HD12 LEU 18 18.322 10.785 -2.487 143 HD13 LEU 18 HD13 LEU 18 19.968 10.227 -2.187 144 HD21 LEU 18 HD21 LEU 18 17.800 8.443 -3.946 145 HD22 LEU 18 HD22 LEU 18 18.774 7.114 -3.316 146 HD23 LEU 18 HD23 LEU 18 19.545 8.630 -3.776 147 H ALA 19 H ALA 19 20.303 5.040 0.054 148 HA ALA 19 HA ALA 19 20.331 3.620 -2.493 149 HB1 ALA 19 HB1 ALA 19 22.388 3.200 -1.675 150 HB2 ALA 19 HB2 ALA 19 21.676 2.218 -0.395 151 HB3 ALA 19 HB3 ALA 19 21.930 3.945 -0.144 152 H VAL 20 H VAL 20 18.511 3.347 0.414 153 HA VAL 20 HA VAL 20 17.995 0.465 0.177 154 HB VAL 20 HB VAL 20 17.466 2.734 1.997 155 HG11 VAL 20 HG11 VAL 20 15.146 2.218 1.527 156 HG12 VAL 20 HG12 VAL 20 15.552 1.562 3.112 157 HG13 VAL 20 HG13 VAL 20 15.448 0.492 1.714 158 HG21 VAL 20 HG21 VAL 20 18.987 0.558 2.146 159 HG22 VAL 20 HG22 VAL 20 17.508 -0.148 2.799 160 HG23 VAL 20 HG23 VAL 20 18.245 1.247 3.589 161 H GLU 21 H GLU 21 16.507 3.500 -0.817 162 HA GLU 21 HA GLU 21 13.926 2.345 -1.519 163 HB2 GLU 21 HB3 GLU 21 14.864 4.827 -1.028 164 HB3 GLU 21 HB2 GLU 21 14.961 4.836 -2.790 165 HG2 GLU 21 HG3 GLU 21 12.542 3.926 -2.735 166 HG3 GLU 21 HG2 GLU 21 12.526 4.451 -1.050 167 H GLN 22 H GLN 22 17.040 2.500 -3.021 168 HA GLN 22 HA GLN 22 16.055 2.202 -5.772 169 HB2 GLN 22 HB3 GLN 22 18.275 3.237 -4.779 170 HB3 GLN 22 HB2 GLN 22 18.839 1.567 -4.837 171 HG2 GLN 22 HG3 GLN 22 18.256 1.458 -7.238 172 HG3 GLN 22 HG2 GLN 22 17.719 3.138 -7.178 173 HE21 GLN 22 HE22 GLN 22 19.491 4.730 -6.338 174 HE22 GLN 22 HE21 GLN 22 21.084 4.428 -6.840 175 H PHE 23 H PHE 23 17.513 0.134 -3.283 176 HA PHE 23 HA PHE 23 17.506 -2.271 -4.916 177 HB2 PHE 23 HB3 PHE 23 18.135 -1.400 -2.162 178 HB3 PHE 23 HB2 PHE 23 17.607 -3.077 -2.294 179 HD1 PHE 23 HD2 PHE 23 19.739 -0.732 -4.317 180 HD2 PHE 23 HD1 PHE 23 19.334 -4.613 -2.520 181 HE1 PHE 23 HE2 PHE 23 21.970 -1.371 -5.191 182 HE2 PHE 23 HE1 PHE 23 21.565 -5.250 -3.394 183 HZ PHE 23 HZ PHE 23 22.884 -3.629 -4.730 184 H ILE 24 H ILE 24 15.139 -0.614 -2.976 185 HA ILE 24 HA ILE 24 13.415 -2.986 -2.645 186 HB ILE 24 HB ILE 24 13.267 -0.041 -1.968 187 HG12 ILE 24 HG13 ILE 24 14.686 -1.678 -0.630 188 HG13 ILE 24 HG12 ILE 24 13.459 -0.818 0.300 189 HG21 ILE 24 HG21 ILE 24 11.167 -2.175 -1.471 190 HG22 ILE 24 HG22 ILE 24 11.000 -0.804 -2.568 191 HG23 ILE 24 HG23 ILE 24 11.129 -0.532 -0.830 192 HD11 ILE 24 HD11 ILE 24 12.353 -2.727 0.788 193 HD12 ILE 24 HD12 ILE 24 13.783 -3.578 0.204 194 HD13 ILE 24 HD13 ILE 24 12.427 -3.283 -0.885 195 H SER 25 H SER 25 13.681 -0.163 -4.747 196 HA SER 25 HA SER 25 11.062 -0.302 -5.927 197 HB2 SER 25 HB3 SER 25 12.846 1.554 -5.955 198 HB3 SER 25 HB2 SER 25 13.620 0.637 -7.244 199 HG SER 25 HG SER 25 12.141 1.329 -8.560 200 H ARG 26 H ARG 26 14.023 -2.099 -6.451 201 HA ARG 26 HA ARG 26 13.028 -3.248 -9.000 202 HB2 ARG 26 HB3 ARG 26 15.530 -2.664 -7.784 203 HB3 ARG 26 HB2 ARG 26 15.455 -4.416 -7.977 204 HG2 ARG 26 HG3 ARG 26 14.820 -2.448 -10.193 205 HG3 ARG 26 HG2 ARG 26 16.395 -3.214 -9.980 206 HD2 ARG 26 HD3 ARG 26 13.845 -4.836 -10.212 207 HD3 ARG 26 HD2 ARG 26 14.825 -4.392 -11.623 208 HE ARG 26 HE ARG 26 16.458 -5.496 -9.496 209 HH11 ARG 26 HH22 ARG 26 13.871 -7.112 -10.604 210 HH12 ARG 26 HH21 ARG 26 14.721 -8.297 -11.538 211 HH21 ARG 26 HH11 ARG 26 17.767 -6.653 -11.344 212 HH22 ARG 26 HH12 ARG 26 16.926 -8.038 -11.957 213 H PHE 27 H PHE 27 13.378 -4.062 -5.608 214 HA PHE 27 HA PHE 27 12.955 -6.941 -6.023 215 HB2 PHE 27 HB3 PHE 27 13.687 -5.064 -3.904 216 HB3 PHE 27 HB2 PHE 27 12.566 -6.312 -3.337 217 HD1 PHE 27 HD1 PHE 27 15.866 -5.623 -4.738 218 HD2 PHE 27 HD2 PHE 27 13.164 -8.635 -3.367 219 HE1 PHE 27 HE1 PHE 27 17.742 -7.262 -4.684 220 HE2 PHE 27 HE2 PHE 27 15.021 -10.294 -3.306 221 HZ PHE 27 HZ PHE 27 17.313 -9.601 -3.966 222 H ASN 28 H ASN 28 11.058 -4.117 -5.059 223 HA ASN 28 HA ASN 28 8.746 -5.111 -3.969 224 HB2 ASN 28 HB3 ASN 28 9.473 -2.760 -4.911 225 HB3 ASN 28 HB2 ASN 28 8.559 -3.267 -6.333 226 HD21 ASN 28 HD22 ASN 28 7.955 -3.767 -2.807 227 HD22 ASN 28 HD21 ASN 28 6.395 -3.100 -2.833 228 H SER 29 H SER 29 9.638 -5.343 -7.406 229 HA SER 29 HA SER 29 7.355 -6.279 -8.630 230 HB2 SER 29 HB3 SER 29 9.858 -7.852 -9.038 231 HB3 SER 29 HB2 SER 29 8.826 -7.067 -10.229 232 HG SER 29 HG SER 29 11.005 -6.118 -9.646 233 H GLY 30 H GLY 30 9.237 -7.947 -6.176 234 HA2 GLY 30 HA3 GLY 30 8.045 -10.553 -6.625 235 HA3 GLY 30 HA2 GLY 30 8.958 -10.072 -5.195 236 H TYR 31 H TYR 31 7.305 -7.780 -4.612 237 HA TYR 31 HA TYR 31 5.238 -9.074 -3.050 238 HB2 TYR 31 HB3 TYR 31 6.574 -6.978 -2.526 239 HB3 TYR 31 HB2 TYR 31 5.600 -6.144 -3.738 240 HD1 TYR 31 HD1 TYR 31 4.896 -8.624 -1.012 241 HD2 TYR 31 HD2 TYR 31 3.917 -4.845 -2.797 242 HE1 TYR 31 HE1 TYR 31 3.096 -8.301 0.664 243 HE2 TYR 31 HE2 TYR 31 2.116 -4.519 -1.123 244 HH TYR 31 HH TYR 31 0.957 -5.457 0.534 245 H ILE 32 H ILE 32 5.368 -8.474 -6.316 246 HA ILE 32 HA ILE 32 2.606 -7.492 -6.659 247 HB ILE 32 HB ILE 32 4.893 -8.316 -8.451 248 HG12 ILE 32 HG13 ILE 32 3.429 -5.713 -7.915 249 HG13 ILE 32 HG12 ILE 32 5.078 -6.113 -7.431 250 HG21 ILE 32 HG21 ILE 32 3.005 -9.033 -9.701 251 HG22 ILE 32 HG22 ILE 32 3.355 -7.414 -10.308 252 HG23 ILE 32 HG23 ILE 32 2.033 -7.662 -9.167 253 HD11 ILE 32 HD11 ILE 32 4.767 -6.556 -10.263 254 HD12 ILE 32 HD12 ILE 32 5.872 -5.460 -9.432 255 HD13 ILE 32 HD13 ILE 32 4.248 -4.920 -9.858 256 H LYS 33 H LYS 33 4.301 -10.528 -6.510 257 HA LYS 33 HA LYS 33 2.297 -12.089 -7.952 258 HB2 LYS 33 HB3 LYS 33 4.755 -12.561 -6.294 259 HB3 LYS 33 HB2 LYS 33 3.692 -13.924 -6.642 260 HG2 LYS 33 HG3 LYS 33 3.874 -12.755 -9.109 261 HG3 LYS 33 HG2 LYS 33 5.477 -12.423 -8.452 262 HD2 LYS 33 HD3 LYS 33 6.095 -14.600 -8.563 263 HD3 LYS 33 HD2 LYS 33 4.550 -15.158 -7.917 264 HE2 LYS 33 HE3 LYS 33 3.508 -14.799 -10.154 265 HE3 LYS 33 HE2 LYS 33 5.098 -14.337 -10.793 266 HZ1 LYS 33 HZ1 LYS 33 5.744 -16.562 -9.523 267 HZ2 LYS 33 HZ2 LYS 33 5.247 -16.557 -11.145 268 HZ3 LYS 33 HZ3 LYS 33 4.138 -16.950 -9.920 269 H ALA 34 H ALA 34 2.817 -11.071 -4.627 270 HA ALA 34 HA ALA 34 0.697 -12.918 -3.649 271 HB1 ALA 34 HB1 ALA 34 1.492 -11.854 -1.434 272 HB2 ALA 34 HB2 ALA 34 2.764 -11.103 -2.397 273 HB3 ALA 34 HB3 ALA 34 2.656 -12.860 -2.297 274 H SER 35 H SER 35 1.402 -9.462 -4.024 275 HA SER 35 HA SER 35 -0.877 -8.423 -2.654 276 HB2 SER 35 HB3 SER 35 1.179 -7.205 -3.476 277 HB3 SER 35 HB2 SER 35 0.531 -7.328 -5.110 278 HG SER 35 HG SER 35 -1.076 -6.301 -3.051 279 H GLN 36 H GLN 36 -0.563 -10.028 -5.711 280 HA GLN 36 HA GLN 36 -3.119 -9.016 -6.785 281 HB2 GLN 36 HB3 GLN 36 -0.843 -9.884 -7.927 282 HB3 GLN 36 HB2 GLN 36 -1.706 -11.421 -7.864 283 HG2 GLN 36 HG3 GLN 36 -3.699 -10.005 -8.849 284 HG3 GLN 36 HG2 GLN 36 -2.408 -8.916 -9.361 285 HE21 GLN 36 HE22 GLN 36 -3.063 -12.475 -9.375 286 HE22 GLN 36 HE21 GLN 36 -2.432 -12.727 -10.931 287 H GLU 37 H GLU 37 -1.842 -11.850 -5.143 288 HA GLU 37 HA GLU 37 -4.211 -13.503 -5.482 289 HB2 GLU 37 HB3 GLU 37 -1.735 -14.118 -4.971 290 HB3 GLU 37 HB2 GLU 37 -2.137 -13.729 -3.298 291 HG2 GLU 37 HG3 GLU 37 -4.227 -15.371 -4.353 292 HG3 GLU 37 HG2 GLU 37 -2.683 -16.144 -4.716 293 H LEU 38 H LEU 38 -3.167 -11.063 -3.180 294 HA LEU 38 HA LEU 38 -5.134 -11.774 -1.135 295 HB2 LEU 38 HB3 LEU 38 -2.949 -9.870 -1.601 296 HB3 LEU 38 HB2 LEU 38 -4.294 -9.164 -0.705 297 HG LEU 38 HG LEU 38 -3.148 -11.854 0.045 298 HD11 LEU 38 HD11 LEU 38 -1.442 -9.880 0.003 299 HD12 LEU 38 HD12 LEU 38 -1.563 -10.858 1.466 300 HD13 LEU 38 HD13 LEU 38 -2.349 -9.280 1.393 301 HD21 LEU 38 HD21 LEU 38 -4.012 -10.704 2.322 302 HD22 LEU 38 HD22 LEU 38 -5.087 -11.618 1.263 303 HD23 LEU 38 HD23 LEU 38 -5.051 -9.857 1.175 304 H VAL 39 H VAL 39 -4.928 -9.493 -3.826 305 HA VAL 39 HA VAL 39 -7.378 -8.070 -3.135 306 HB VAL 39 HB VAL 39 -5.539 -8.256 -5.525 307 HG11 VAL 39 HG11 VAL 39 -7.911 -7.875 -6.266 308 HG12 VAL 39 HG12 VAL 39 -6.837 -6.521 -6.618 309 HG13 VAL 39 HG13 VAL 39 -7.947 -6.434 -5.250 310 HG21 VAL 39 HG21 VAL 39 -6.189 -6.118 -3.475 311 HG22 VAL 39 HG22 VAL 39 -5.160 -5.848 -4.881 312 HG23 VAL 39 HG23 VAL 39 -4.672 -7.002 -3.640 313 H SER 40 H SER 40 -6.580 -10.988 -4.863 314 HA SER 40 HA SER 40 -9.084 -11.111 -6.384 315 HB2 SER 40 HB3 SER 40 -6.619 -12.168 -6.672 316 HB3 SER 40 HB2 SER 40 -7.398 -13.509 -5.839 317 HG SER 40 HG SER 40 -8.357 -13.948 -7.645 318 H TYR 41 H TYR 41 -7.939 -12.119 -3.235 319 HA TYR 41 HA TYR 41 -10.068 -14.086 -2.795 320 HB2 TYR 41 HB3 TYR 41 -7.587 -13.284 -1.653 321 HB3 TYR 41 HB2 TYR 41 -8.814 -13.110 -0.397 322 HD1 TYR 41 HD1 TYR 41 -10.710 -15.179 -0.767 323 HD2 TYR 41 HD2 TYR 41 -6.475 -15.323 -1.472 324 HE1 TYR 41 HE1 TYR 41 -10.741 -17.638 -0.453 325 HE2 TYR 41 HE2 TYR 41 -6.506 -17.782 -1.158 326 HH TYR 41 HH TYR 41 -8.486 -19.420 0.319 327 H THR 42 H THR 42 -9.600 -10.651 -2.281 328 HA THR 42 HA THR 42 -12.075 -10.513 -0.612 329 HB THR 42 HB THR 42 -10.098 -8.323 -1.268 330 HG1 THR 42 HG1 THR 42 -8.729 -9.241 0.013 331 HG21 THR 42 HG21 THR 42 -10.955 -7.969 1.299 332 HG22 THR 42 HG22 THR 42 -12.381 -8.703 0.565 333 HG23 THR 42 HG23 THR 42 -11.710 -7.217 -0.106 334 H ILE 43 H ILE 43 -11.283 -10.419 -3.821 335 HA ILE 43 HA ILE 43 -12.696 -8.043 -4.699 336 HB ILE 43 HB ILE 43 -10.869 -9.516 -5.826 337 HG12 ILE 43 HG13 ILE 43 -12.715 -9.107 -7.989 338 HG13 ILE 43 HG12 ILE 43 -12.897 -7.793 -6.827 339 HG21 ILE 43 HG21 ILE 43 -13.383 -10.997 -6.646 340 HG22 ILE 43 HG22 ILE 43 -12.071 -11.649 -5.663 341 HG23 ILE 43 HG23 ILE 43 -11.785 -11.233 -7.352 342 HD11 ILE 43 HD11 ILE 43 -11.134 -7.386 -8.592 343 HD12 ILE 43 HD12 ILE 43 -10.216 -8.718 -7.892 344 HD13 ILE 43 HD13 ILE 43 -10.544 -7.274 -6.934 345 H LYS 44 H LYS 44 -13.529 -11.493 -4.520 346 HA LYS 44 HA LYS 44 -16.377 -10.803 -5.120 347 HB2 LYS 44 HB3 LYS 44 -14.546 -12.824 -5.930 348 HB3 LYS 44 HB2 LYS 44 -15.814 -13.614 -4.992 349 HG2 LYS 44 HG3 LYS 44 -16.733 -13.602 -7.149 350 HG3 LYS 44 HG2 LYS 44 -17.438 -12.152 -6.432 351 HD2 LYS 44 HD3 LYS 44 -14.816 -11.666 -7.652 352 HD3 LYS 44 HD2 LYS 44 -16.022 -12.234 -8.809 353 HE2 LYS 44 HE3 LYS 44 -17.108 -10.244 -8.759 354 HE3 LYS 44 HE2 LYS 44 -17.136 -10.240 -6.984 355 HZ1 LYS 44 HZ1 LYS 44 -15.615 -8.584 -8.410 356 HZ2 LYS 44 HZ2 LYS 44 -14.534 -9.878 -8.229 357 HZ3 LYS 44 HZ3 LYS 44 -15.194 -9.127 -6.856 358 H LEU 45 H LEU 45 -14.848 -10.613 -2.471 359 HA LEU 45 HA LEU 45 -16.634 -12.411 -0.863 360 HB2 LEU 45 HB3 LEU 45 -13.821 -12.090 -0.960 361 HB3 LEU 45 HB2 LEU 45 -14.345 -11.374 0.565 362 HG LEU 45 HG LEU 45 -15.569 -13.429 1.130 363 HD11 LEU 45 HD11 LEU 45 -15.545 -13.879 -1.597 364 HD12 LEU 45 HD12 LEU 45 -16.016 -15.063 -0.377 365 HD13 LEU 45 HD13 LEU 45 -14.368 -15.051 -1.005 366 HD21 LEU 45 HD21 LEU 45 -12.999 -14.633 0.334 367 HD22 LEU 45 HD22 LEU 45 -13.685 -14.411 1.943 368 HD23 LEU 45 HD23 LEU 45 -12.836 -13.080 1.155 369 H SER 46 H SER 46 -17.205 -9.643 -1.874 370 HA SER 46 HA SER 46 -18.474 -8.515 0.378 371 HB2 SER 46 HB3 SER 46 -16.422 -8.149 1.461 372 HB3 SER 46 HB2 SER 46 -15.586 -7.780 -0.044 373 HG SER 46 HG SER 46 -16.054 -5.920 1.268 374 H HIS 47 H HIS 47 -19.868 -6.991 -0.447 375 HA HIS 47 HA HIS 47 -20.761 -5.359 -1.909 376 HB2 HIS 47 HB3 HIS 47 -17.925 -4.998 -1.741 377 HB3 HIS 47 HB2 HIS 47 -18.426 -4.693 -3.402 378 HD1 HIS 47 HD1 HIS 47 -18.111 -3.002 -0.267 379 HD2 HIS 47 HD2 HIS 47 -20.893 -2.867 -3.370 380 HE1 HIS 47 HE1 HIS 47 -19.371 -0.820 -0.007 381 H ASP 48 H ASP 48 -20.156 -8.263 -2.668 382 HA ASP 48 HA ASP 48 -19.451 -8.905 -5.196 383 HB2 ASP 48 HB3 ASP 48 -20.878 -10.099 -3.323 384 HB3 ASP 48 HB2 ASP 48 -22.218 -9.643 -4.371 385 HA PRO 49 HA PRO 49 -21.819 -5.707 -7.359 386 HB2 PRO 49 HB2 PRO 49 -20.014 -5.524 -9.409 387 HB3 PRO 49 HB3 PRO 49 -19.819 -4.660 -7.872 388 HG2 PRO 49 HG3 PRO 49 -18.506 -7.152 -8.819 389 HG3 PRO 49 HG2 PRO 49 -17.851 -5.830 -7.842 390 HD2 PRO 49 HD3 PRO 49 -18.672 -8.245 -6.812 391 HD3 PRO 49 HD2 PRO 49 -18.618 -6.734 -5.882 392 H ILE 50 H ILE 50 -20.303 -8.660 -8.597 393 HA ILE 50 HA ILE 50 -21.828 -8.855 -11.028 394 HB ILE 50 HB ILE 50 -20.289 -10.751 -9.257 395 HG12 ILE 50 HG13 ILE 50 -18.867 -10.808 -11.376 396 HG13 ILE 50 HG12 ILE 50 -19.877 -9.492 -11.980 397 HG21 ILE 50 HG21 ILE 50 -21.984 -11.358 -11.666 398 HG22 ILE 50 HG22 ILE 50 -21.823 -12.271 -10.167 399 HG23 ILE 50 HG23 ILE 50 -20.523 -12.296 -11.358 400 HD11 ILE 50 HD11 ILE 50 -18.651 -9.252 -9.253 401 HD12 ILE 50 HD12 ILE 50 -19.097 -7.981 -10.391 402 HD13 ILE 50 HD13 ILE 50 -17.651 -8.949 -10.674 403 H GLU 51 H GLU 51 -22.365 -10.002 -7.722 404 HA GLU 51 HA GLU 51 -24.807 -11.466 -8.421 405 HB2 GLU 51 HB3 GLU 51 -23.008 -11.052 -6.163 406 HB3 GLU 51 HB2 GLU 51 -24.698 -11.006 -5.658 407 HG2 GLU 51 HG3 GLU 51 -23.748 -13.177 -7.509 408 HG3 GLU 51 HG2 GLU 51 -23.469 -13.316 -5.773 409 H TYR 52 H TYR 52 -23.947 -8.229 -7.442 410 HA TYR 52 HA TYR 52 -26.712 -7.527 -6.664 411 HB2 TYR 52 HB3 TYR 52 -24.008 -6.535 -6.329 412 HB3 TYR 52 HB2 TYR 52 -25.071 -5.243 -6.888 413 HD1 TYR 52 HD1 TYR 52 -24.834 -7.980 -4.347 414 HD2 TYR 52 HD2 TYR 52 -26.542 -4.180 -5.392 415 HE1 TYR 52 HE1 TYR 52 -25.805 -7.791 -2.073 416 HE2 TYR 52 HE2 TYR 52 -27.514 -3.991 -3.118 417 HH TYR 52 HH TYR 52 -27.935 -6.453 -1.091 418 H LEU 53 H LEU 53 -24.621 -7.351 -9.465 419 HA LEU 53 HA LEU 53 -25.962 -5.213 -10.855 420 HB2 LEU 53 HB3 LEU 53 -23.673 -6.455 -11.202 421 HB3 LEU 53 HB2 LEU 53 -24.632 -7.551 -12.196 422 HG LEU 53 HG LEU 53 -25.201 -4.729 -12.740 423 HD11 LEU 53 HD11 LEU 53 -23.079 -4.291 -13.915 424 HD12 LEU 53 HD12 LEU 53 -22.433 -5.823 -13.327 425 HD13 LEU 53 HD13 LEU 53 -22.799 -4.527 -12.190 426 HD21 LEU 53 HD21 LEU 53 -25.751 -6.938 -14.035 427 HD22 LEU 53 HD22 LEU 53 -24.112 -6.774 -14.662 428 HD23 LEU 53 HD23 LEU 53 -25.298 -5.503 -14.954 429 H LEU 54 H LEU 54 -26.327 -8.754 -10.952 430 HA LEU 54 HA LEU 54 -28.310 -8.922 -12.972 431 HB2 LEU 54 HB3 LEU 54 -27.018 -10.567 -11.047 432 HB3 LEU 54 HB2 LEU 54 -28.751 -10.836 -10.866 433 HG LEU 54 HG LEU 54 -27.886 -10.704 -13.668 434 HD11 LEU 54 HD11 LEU 54 -26.404 -12.444 -13.754 435 HD12 LEU 54 HD12 LEU 54 -27.148 -13.279 -12.391 436 HD13 LEU 54 HD13 LEU 54 -26.040 -11.936 -12.105 437 HD21 LEU 54 HD21 LEU 54 -29.280 -12.931 -12.163 438 HD22 LEU 54 HD22 LEU 54 -29.407 -12.535 -13.877 439 HD23 LEU 54 HD23 LEU 54 -30.121 -11.466 -12.671 440 H GLU 55 H GLU 55 -28.591 -8.206 -9.520 441 HA GLU 55 HA GLU 55 -31.504 -8.298 -9.477 442 HB2 GLU 55 HB3 GLU 55 -29.493 -8.389 -7.641 443 HB3 GLU 55 HB2 GLU 55 -29.993 -6.705 -7.480 444 HG2 GLU 55 HG3 GLU 55 -32.012 -7.256 -6.579 445 HG3 GLU 55 HG2 GLU 55 -32.208 -8.659 -7.629 446 H GLN 56 H GLN 56 -29.067 -5.890 -10.202 447 HA GLN 56 HA GLN 56 -30.871 -3.596 -9.953 448 HB2 GLN 56 HB3 GLN 56 -28.339 -3.670 -9.643 449 HB3 GLN 56 HB2 GLN 56 -28.215 -3.822 -11.396 450 HG2 GLN 56 HG3 GLN 56 -29.194 -1.687 -11.759 451 HG3 GLN 56 HG2 GLN 56 -29.781 -1.588 -10.098 452 HE21 GLN 56 HE22 GLN 56 -27.854 -1.753 -8.399 453 HE22 GLN 56 HE21 GLN 56 -26.472 -0.844 -8.780 454 H ILE 57 H ILE 57 -30.057 -5.925 -12.412 455 HA ILE 57 HA ILE 57 -30.982 -4.257 -14.644 456 HB ILE 57 HB ILE 57 -29.339 -6.497 -14.231 457 HG12 ILE 57 HG13 ILE 57 -29.526 -6.324 -16.941 458 HG13 ILE 57 HG12 ILE 57 -30.230 -4.777 -16.468 459 HG21 ILE 57 HG21 ILE 57 -30.323 -8.096 -15.936 460 HG22 ILE 57 HG22 ILE 57 -31.840 -7.212 -15.770 461 HG23 ILE 57 HG23 ILE 57 -31.155 -8.055 -14.381 462 HD11 ILE 57 HD11 ILE 57 -27.913 -4.326 -16.634 463 HD12 ILE 57 HD12 ILE 57 -27.477 -5.846 -15.853 464 HD13 ILE 57 HD13 ILE 57 -28.188 -4.540 -14.906 465 H GLN 58 H GLN 58 -32.281 -6.738 -12.517 466 HA GLN 58 HA GLN 58 -34.688 -7.209 -14.107 467 HB2 GLN 58 HB3 GLN 58 -33.296 -8.434 -12.035 468 HB3 GLN 58 HB2 GLN 58 -34.763 -7.851 -11.248 469 HG2 GLN 58 HG3 GLN 58 -35.568 -9.858 -12.038 470 HG3 GLN 58 HG2 GLN 58 -35.882 -8.865 -13.461 471 HE21 GLN 58 HE22 GLN 58 -34.141 -11.615 -12.307 472 HE22 GLN 58 HE21 GLN 58 -33.211 -11.884 -13.701 473 H ASN 59 H ASN 59 -33.699 -4.984 -11.588 474 HA ASN 59 HA ASN 59 -36.439 -4.174 -10.899 475 HB2 ASN 59 HB3 ASN 59 -33.969 -4.125 -9.690 476 HB3 ASN 59 HB2 ASN 59 -34.157 -2.443 -10.189 477 HD21 ASN 59 HD22 ASN 59 -37.014 -2.233 -9.936 478 HD22 ASN 59 HD21 ASN 59 -37.410 -2.364 -8.290 479 H LEU 60 H LEU 60 -33.853 -3.099 -13.034 480 HA LEU 60 HA LEU 60 -34.877 -0.459 -13.575 481 HB2 LEU 60 HB3 LEU 60 -32.605 -1.861 -14.089 482 HB3 LEU 60 HB2 LEU 60 -33.388 -1.950 -15.667 483 HG LEU 60 HG LEU 60 -33.302 0.694 -14.264 484 HD11 LEU 60 HD11 LEU 60 -30.968 -0.845 -15.217 485 HD12 LEU 60 HD12 LEU 60 -31.037 0.527 -14.113 486 HD13 LEU 60 HD13 LEU 60 -31.079 0.795 -15.855 487 HD21 LEU 60 HD21 LEU 60 -33.338 1.532 -16.521 488 HD22 LEU 60 HD22 LEU 60 -34.521 0.227 -16.445 489 HD23 LEU 60 HD23 LEU 60 -32.943 -0.056 -17.179 490 H HIS 61 H HIS 61 -35.486 -3.651 -14.962 491 HA HIS 61 HA HIS 61 -37.021 -2.672 -17.236 492 HB2 HIS 61 HB3 HIS 61 -35.810 -5.027 -16.412 493 HB3 HIS 61 HB2 HIS 61 -37.527 -5.401 -16.276 494 HD1 HIS 61 HD1 HIS 61 -38.027 -3.192 -18.731 495 HD2 HIS 61 HD2 HIS 61 -35.808 -6.721 -18.797 496 HE1 HIS 61 HE1 HIS 61 -37.876 -3.898 -21.158 497 H ARG 62 H ARG 62 -37.717 -3.495 -13.901 498 HA ARG 62 HA ARG 62 -40.617 -3.704 -14.285 499 HB2 ARG 62 HB3 ARG 62 -38.694 -4.450 -12.401 500 HB3 ARG 62 HB2 ARG 62 -39.628 -3.197 -11.586 501 HG2 ARG 62 HG3 ARG 62 -41.716 -4.458 -12.421 502 HG3 ARG 62 HG2 ARG 62 -40.617 -5.795 -12.762 503 HD2 ARG 62 HD3 ARG 62 -39.838 -5.689 -10.367 504 HD3 ARG 62 HD2 ARG 62 -41.112 -4.491 -10.064 505 HE ARG 62 HE ARG 62 -42.568 -6.342 -9.967 506 HH11 ARG 62 HH22 ARG 62 -42.723 -6.620 -12.892 507 HH12 ARG 62 HH21 ARG 62 -42.165 -8.237 -13.164 508 HH21 ARG 62 HH11 ARG 62 -40.693 -8.537 -10.039 509 HH22 ARG 62 HH12 ARG 62 -41.016 -9.322 -11.548 510 H VAL 63 H VAL 63 -38.301 -1.185 -13.652 511 HA VAL 63 HA VAL 63 -39.601 0.781 -12.235 512 HB VAL 63 HB VAL 63 -37.375 0.726 -13.580 513 HG11 VAL 63 HG11 VAL 63 -39.241 1.963 -15.624 514 HG12 VAL 63 HG12 VAL 63 -38.385 0.430 -15.800 515 HG13 VAL 63 HG13 VAL 63 -37.481 1.943 -15.731 516 HG21 VAL 63 HG21 VAL 63 -38.953 3.310 -13.609 517 HG22 VAL 63 HG22 VAL 63 -37.206 3.127 -13.460 518 HG23 VAL 63 HG23 VAL 63 -38.261 2.614 -12.143 519 H THR 64 H THR 64 -40.188 -0.020 -15.644 520 HA THR 64 HA THR 64 -41.972 1.903 -16.483 521 HB THR 64 HB THR 64 -41.959 -1.102 -16.778 522 HG1 THR 64 HG1 THR 64 -41.551 0.691 -18.856 523 HG21 THR 64 HG21 THR 64 -44.089 -0.950 -17.523 524 HG22 THR 64 HG22 THR 64 -43.404 -0.121 -18.921 525 HG23 THR 64 HG23 THR 64 -44.034 0.813 -17.564 526 H LEU 65 H LEU 65 -42.537 -0.521 -14.007 527 HA LEU 65 HA LEU 65 -45.383 -0.445 -13.876 528 HB2 LEU 65 HB3 LEU 65 -43.306 -1.712 -12.604 529 HB3 LEU 65 HB2 LEU 65 -43.892 -0.637 -11.334 530 HG LEU 65 HG LEU 65 -45.852 -2.255 -12.937 531 HD11 LEU 65 HD11 LEU 65 -45.243 -4.218 -12.007 532 HD12 LEU 65 HD12 LEU 65 -45.136 -3.489 -10.405 533 HD13 LEU 65 HD13 LEU 65 -43.751 -3.429 -11.496 534 HD21 LEU 65 HD21 LEU 65 -46.607 -2.157 -10.278 535 HD22 LEU 65 HD22 LEU 65 -47.161 -1.047 -11.530 536 HD23 LEU 65 HD23 LEU 65 -45.795 -0.609 -10.505 537 H ALA 66 H ALA 66 -42.927 1.773 -12.678 538 HA ALA 66 HA ALA 66 -45.120 3.569 -11.692 539 HB1 ALA 66 HB1 ALA 66 -43.648 2.291 -9.981 540 HB2 ALA 66 HB2 ALA 66 -43.826 4.032 -9.758 541 HB3 ALA 66 HB3 ALA 66 -42.357 3.382 -10.485 542 H GLU 67 H GLU 67 -45.004 4.756 -13.717 543 HA GLU 67 HA GLU 67 -42.941 6.823 -13.753 544 HB2 GLU 67 HB3 GLU 67 -41.631 5.093 -14.754 545 HB3 GLU 67 HB2 GLU 67 -42.985 4.544 -15.744 546 HG2 GLU 67 HG3 GLU 67 -42.950 6.800 -16.884 547 HG3 GLU 67 HG2 GLU 67 -41.448 7.139 -16.022 548 H GLY 68 H GLY 68 -44.766 8.247 -13.791 549 HA2 GLY 68 HA3 GLY 68 -46.336 8.179 -16.339 550 HA3 GLY 68 HA2 GLY 68 -47.037 8.699 -14.805 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 50.731 24.161 -6.861 2 H2 ASP 1 H2 ASP 1 51.240 23.945 -5.254 3 H3 ASP 1 H3 ASP 1 49.780 24.747 -5.585 4 HA ASP 1 HA ASP 1 50.278 21.899 -6.280 5 HB2 ASP 1 HB3 ASP 1 50.343 22.783 -3.790 6 HB3 ASP 1 HB2 ASP 1 48.593 22.880 -3.996 7 H GLN 2 H GLN 2 47.659 21.137 -5.684 8 HA GLN 2 HA GLN 2 46.095 22.701 -7.710 9 HB2 GLN 2 HB3 GLN 2 45.718 19.830 -6.817 10 HB3 GLN 2 HB2 GLN 2 45.081 20.595 -8.273 11 HG2 GLN 2 HG3 GLN 2 47.927 20.944 -8.233 12 HG3 GLN 2 HG2 GLN 2 47.565 19.239 -7.960 13 HE21 GLN 2 HE22 GLN 2 48.064 18.445 -10.071 14 HE22 GLN 2 HE21 GLN 2 47.224 18.928 -11.465 15 H ASN 3 H ASN 3 43.877 23.147 -7.224 16 HA ASN 3 HA ASN 3 43.268 23.343 -4.346 17 HB2 ASN 3 HB3 ASN 3 41.800 24.179 -6.870 18 HB3 ASN 3 HB2 ASN 3 41.331 24.638 -5.232 19 HD21 ASN 3 HD22 ASN 3 41.832 26.873 -5.247 20 HD22 ASN 3 HD21 ASN 3 43.382 27.488 -5.567 21 H HIS 4 H HIS 4 43.116 20.787 -6.290 22 HA HIS 4 HA HIS 4 41.661 18.925 -6.531 23 HB2 HIS 4 HB3 HIS 4 41.841 19.867 -3.732 24 HB3 HIS 4 HB2 HIS 4 40.512 18.751 -4.052 25 HD1 HIS 4 HD1 HIS 4 44.162 18.887 -3.597 26 HD2 HIS 4 HD2 HIS 4 41.415 16.200 -5.212 27 HE1 HIS 4 HE1 HIS 4 45.372 16.674 -3.821 28 H ILE 5 H ILE 5 40.309 20.536 -7.971 29 HA ILE 5 HA ILE 5 37.792 21.468 -6.782 30 HB ILE 5 HB ILE 5 38.790 21.315 -9.635 31 HG12 ILE 5 HG13 ILE 5 38.824 23.689 -7.749 32 HG13 ILE 5 HG12 ILE 5 40.212 22.627 -7.985 33 HG21 ILE 5 HG21 ILE 5 37.138 23.201 -9.952 34 HG22 ILE 5 HG22 ILE 5 36.535 22.865 -8.330 35 HG23 ILE 5 HG23 ILE 5 36.394 21.643 -9.593 36 HD11 ILE 5 HD11 ILE 5 39.248 23.320 -10.568 37 HD12 ILE 5 HD12 ILE 5 40.773 23.797 -9.820 38 HD13 ILE 5 HD13 ILE 5 39.342 24.811 -9.631 39 H GLU 6 H GLU 6 38.767 18.505 -7.382 40 HA GLU 6 HA GLU 6 36.269 17.576 -8.738 41 HB2 GLU 6 HB3 GLU 6 38.955 16.259 -8.215 42 HB3 GLU 6 HB2 GLU 6 37.619 15.503 -9.084 43 HG2 GLU 6 HG3 GLU 6 37.749 17.061 -10.868 44 HG3 GLU 6 HG2 GLU 6 38.750 18.172 -9.931 45 H GLN 7 H GLN 7 34.997 15.955 -7.716 46 HA GLN 7 HA GLN 7 35.751 14.743 -5.179 47 HB2 GLN 7 HB3 GLN 7 34.501 17.371 -5.284 48 HB3 GLN 7 HB2 GLN 7 33.501 16.225 -4.389 49 HG2 GLN 7 HG3 GLN 7 35.571 15.570 -3.092 50 HG3 GLN 7 HG2 GLN 7 36.404 16.917 -3.869 51 HE21 GLN 7 HE22 GLN 7 35.748 19.106 -3.280 52 HE22 GLN 7 HE21 GLN 7 34.778 19.403 -1.919 53 HA PRO 8 HA PRO 8 32.310 12.802 -7.617 54 HB2 PRO 8 HB2 PRO 8 33.487 10.337 -7.819 55 HB3 PRO 8 HB3 PRO 8 33.770 11.642 -8.988 56 HG2 PRO 8 HG3 PRO 8 35.472 10.725 -6.726 57 HG3 PRO 8 HG2 PRO 8 35.941 11.273 -8.343 58 HD2 PRO 8 HD3 PRO 8 36.116 12.834 -6.110 59 HD3 PRO 8 HD2 PRO 8 35.896 13.482 -7.750 60 H PHE 9 H PHE 9 34.062 12.100 -4.702 61 HA PHE 9 HA PHE 9 32.201 10.014 -3.775 62 HB2 PHE 9 HB3 PHE 9 34.659 10.105 -3.272 63 HB3 PHE 9 HB2 PHE 9 34.373 11.568 -2.331 64 HD1 PHE 9 HD2 PHE 9 32.558 8.296 -2.655 65 HD2 PHE 9 HD1 PHE 9 34.466 11.126 -0.047 66 HE1 PHE 9 HE2 PHE 9 31.925 6.915 -0.695 67 HE2 PHE 9 HE1 PHE 9 33.832 9.745 1.913 68 HZ PHE 9 HZ PHE 9 32.562 7.640 1.589 69 H TYR 10 H TYR 10 32.633 13.485 -3.445 70 HA TYR 10 HA TYR 10 31.138 14.000 -1.098 71 HB2 TYR 10 HB3 TYR 10 32.356 15.751 -2.108 72 HB3 TYR 10 HB2 TYR 10 31.632 15.462 -3.689 73 HD1 TYR 10 HD1 TYR 10 31.091 16.884 -0.323 74 HD2 TYR 10 HD2 TYR 10 29.419 16.301 -4.237 75 HE1 TYR 10 HE1 TYR 10 29.316 18.538 0.188 76 HE2 TYR 10 HE2 TYR 10 27.644 17.955 -3.726 77 HH TYR 10 HH TYR 10 27.148 19.185 -0.524 78 H LEU 11 H LEU 11 30.070 13.270 -4.391 79 HA LEU 11 HA LEU 11 27.352 14.026 -4.237 80 HB2 LEU 11 HB3 LEU 11 29.105 12.571 -5.918 81 HB3 LEU 11 HB2 LEU 11 27.721 11.518 -5.623 82 HG LEU 11 HG LEU 11 26.259 13.563 -6.158 83 HD11 LEU 11 HD11 LEU 11 27.403 15.222 -7.658 84 HD12 LEU 11 HD12 LEU 11 28.947 14.495 -7.211 85 HD13 LEU 11 HD13 LEU 11 27.958 15.291 -5.986 86 HD21 LEU 11 HD21 LEU 11 27.982 12.595 -8.452 87 HD22 LEU 11 HD22 LEU 11 26.278 13.047 -8.494 88 HD23 LEU 11 HD23 LEU 11 26.778 11.567 -7.677 89 H MET 12 H MET 12 28.811 10.862 -3.464 90 HA MET 12 HA MET 12 26.504 9.507 -2.586 91 HB2 MET 12 HB3 MET 12 29.439 9.403 -2.122 92 HB3 MET 12 HB2 MET 12 28.437 8.507 -0.980 93 HG2 MET 12 HG3 MET 12 27.693 7.025 -2.580 94 HG3 MET 12 HG2 MET 12 27.807 8.211 -3.881 95 HE1 MET 12 HE1 MET 12 28.961 7.738 -5.586 96 HE2 MET 12 HE2 MET 12 30.642 7.212 -5.751 97 HE3 MET 12 HE3 MET 12 30.274 8.825 -5.144 98 H GLY 13 H GLY 13 28.914 10.769 -0.289 99 HA2 GLY 13 HA3 GLY 13 28.636 11.641 1.874 100 HA3 GLY 13 HA2 GLY 13 27.248 12.492 1.195 101 H ARG 14 H ARG 14 25.160 11.544 1.408 102 HA ARG 14 HA ARG 14 25.001 9.495 3.562 103 HB2 ARG 14 HB3 ARG 14 22.562 10.386 3.538 104 HB3 ARG 14 HB2 ARG 14 23.826 11.455 4.132 105 HG2 ARG 14 HG3 ARG 14 22.180 12.520 2.521 106 HG3 ARG 14 HG2 ARG 14 23.876 12.688 2.077 107 HD2 ARG 14 HD3 ARG 14 23.689 10.868 0.464 108 HD3 ARG 14 HD2 ARG 14 22.022 10.542 0.983 109 HE ARG 14 HE ARG 14 22.791 12.631 -0.829 110 HH11 ARG 14 HH11 ARG 14 20.019 11.390 -0.050 111 HH12 ARG 14 HH12 ARG 14 19.181 12.832 0.422 112 HH21 ARG 14 HH22 ARG 14 22.058 14.756 0.624 113 HH22 ARG 14 HH21 ARG 14 20.336 14.737 0.804 114 H ASP 15 H ASP 15 25.616 8.626 0.872 115 HA ASP 15 HA ASP 15 23.541 7.815 -0.789 116 HB2 ASP 15 HB3 ASP 15 26.229 7.274 -0.429 117 HB3 ASP 15 HB2 ASP 15 25.486 5.695 -0.173 118 H LYS 16 H LYS 16 24.229 6.709 2.457 119 HA LYS 16 HA LYS 16 23.068 4.202 2.648 120 HB2 LYS 16 HB3 LYS 16 23.385 6.594 4.337 121 HB3 LYS 16 HB2 LYS 16 22.086 5.521 4.858 122 HG2 LYS 16 HG3 LYS 16 24.621 4.187 4.089 123 HG3 LYS 16 HG2 LYS 16 24.681 5.159 5.561 124 HD2 LYS 16 HD3 LYS 16 23.518 3.611 6.709 125 HD3 LYS 16 HD2 LYS 16 22.249 3.589 5.483 126 HE2 LYS 16 HE3 LYS 16 22.994 1.434 5.163 127 HE3 LYS 16 HE2 LYS 16 24.232 2.234 4.174 128 HZ1 LYS 16 HZ1 LYS 16 24.639 2.152 7.069 129 HZ2 LYS 16 HZ2 LYS 16 25.781 2.097 5.816 130 HZ3 LYS 16 HZ3 LYS 16 24.885 0.708 6.208 131 H ALA 17 H ALA 17 21.065 6.935 3.679 132 HA ALA 17 HA ALA 17 18.557 5.822 3.410 133 HB1 ALA 17 HB1 ALA 17 18.444 8.489 2.390 134 HB2 ALA 17 HB2 ALA 17 19.747 8.416 3.576 135 HB3 ALA 17 HB3 ALA 17 18.112 7.939 4.032 136 H LEU 18 H LEU 18 20.677 6.832 0.801 137 HA LEU 18 HA LEU 18 18.643 6.838 -1.278 138 HB2 LEU 18 HB3 LEU 18 21.255 7.677 -0.953 139 HB3 LEU 18 HB2 LEU 18 21.437 6.288 -2.026 140 HG LEU 18 HG LEU 18 19.534 7.309 -3.411 141 HD11 LEU 18 HD11 LEU 18 19.226 8.982 -1.310 142 HD12 LEU 18 HD12 LEU 18 18.758 9.417 -2.953 143 HD13 LEU 18 HD13 LEU 18 20.306 9.957 -2.306 144 HD21 LEU 18 HD21 LEU 18 22.021 7.374 -3.946 145 HD22 LEU 18 HD22 LEU 18 22.051 8.985 -3.228 146 HD23 LEU 18 HD23 LEU 18 21.068 8.676 -4.659 147 H ALA 19 H ALA 19 20.706 4.414 0.200 148 HA ALA 19 HA ALA 19 20.438 2.410 -1.876 149 HB1 ALA 19 HB1 ALA 19 21.746 2.818 0.633 150 HB2 ALA 19 HB2 ALA 19 22.062 1.564 -0.566 151 HB3 ALA 19 HB3 ALA 19 20.882 1.283 0.714 152 H VAL 20 H VAL 20 18.472 3.411 0.853 153 HA VAL 20 HA VAL 20 16.877 0.987 1.012 154 HB VAL 20 HB VAL 20 17.278 2.812 2.766 155 HG11 VAL 20 HG11 VAL 20 14.934 4.313 1.875 156 HG12 VAL 20 HG12 VAL 20 16.283 4.447 0.747 157 HG13 VAL 20 HG13 VAL 20 16.496 4.907 2.436 158 HG21 VAL 20 HG21 VAL 20 15.434 0.996 2.746 159 HG22 VAL 20 HG22 VAL 20 14.344 2.299 2.275 160 HG23 VAL 20 HG23 VAL 20 15.199 2.378 3.815 161 H GLU 21 H GLU 21 16.829 3.844 -0.998 162 HA GLU 21 HA GLU 21 14.041 3.526 -1.848 163 HB2 GLU 21 HB3 GLU 21 16.275 5.374 -2.136 164 HB3 GLU 21 HB2 GLU 21 15.459 5.114 -3.678 165 HG2 GLU 21 HG3 GLU 21 14.061 6.743 -2.881 166 HG3 GLU 21 HG2 GLU 21 13.304 5.376 -2.063 167 H GLN 22 H GLN 22 17.106 2.191 -2.725 168 HA GLN 22 HA GLN 22 16.324 1.468 -5.468 169 HB2 GLN 22 HB3 GLN 22 18.676 1.971 -4.347 170 HB3 GLN 22 HB2 GLN 22 18.610 0.256 -3.946 171 HG2 GLN 22 HG3 GLN 22 17.874 0.122 -6.536 172 HG3 GLN 22 HG2 GLN 22 18.876 1.571 -6.600 173 HE21 GLN 22 HE22 GLN 22 21.116 1.294 -5.468 174 HE22 GLN 22 HE21 GLN 22 21.885 -0.207 -5.661 175 H PHE 23 H PHE 23 16.671 -0.112 -2.316 176 HA PHE 23 HA PHE 23 16.008 -2.774 -3.265 177 HB2 PHE 23 HB3 PHE 23 16.531 -1.330 -0.736 178 HB3 PHE 23 HB2 PHE 23 15.473 -2.733 -0.577 179 HD1 PHE 23 HD2 PHE 23 16.349 -4.753 -2.282 180 HD2 PHE 23 HD1 PHE 23 18.765 -1.804 -0.303 181 HE1 PHE 23 HE2 PHE 23 18.315 -6.257 -2.440 182 HE2 PHE 23 HE1 PHE 23 20.731 -3.307 -0.462 183 HZ PHE 23 HZ PHE 23 20.507 -5.534 -1.531 184 H ILE 24 H ILE 24 14.161 0.038 -2.346 185 HA ILE 24 HA ILE 24 11.679 -1.426 -1.797 186 HB ILE 24 HB ILE 24 12.510 1.461 -2.134 187 HG12 ILE 24 HG13 ILE 24 11.410 -0.119 0.213 188 HG13 ILE 24 HG12 ILE 24 13.113 0.264 -0.039 189 HG21 ILE 24 HG21 ILE 24 9.738 0.462 -1.423 190 HG22 ILE 24 HG22 ILE 24 10.179 1.081 -3.014 191 HG23 ILE 24 HG23 ILE 24 10.247 2.140 -1.604 192 HD11 ILE 24 HD11 ILE 24 10.840 2.123 0.620 193 HD12 ILE 24 HD12 ILE 24 12.281 2.735 -0.191 194 HD13 ILE 24 HD13 ILE 24 12.417 1.983 1.398 195 H SER 25 H SER 25 13.200 0.167 -4.552 196 HA SER 25 HA SER 25 10.793 0.183 -6.207 197 HB2 SER 25 HB3 SER 25 12.714 1.766 -6.402 198 HB3 SER 25 HB2 SER 25 13.740 0.424 -6.901 199 HG SER 25 HG SER 25 11.849 1.833 -8.302 200 H ARG 26 H ARG 26 13.374 -2.080 -5.523 201 HA ARG 26 HA ARG 26 12.738 -3.768 -7.870 202 HB2 ARG 26 HB3 ARG 26 14.809 -3.568 -5.733 203 HB3 ARG 26 HB2 ARG 26 14.531 -5.167 -6.424 204 HG2 ARG 26 HG3 ARG 26 15.123 -4.469 -8.596 205 HG3 ARG 26 HG2 ARG 26 14.901 -2.763 -8.204 206 HD2 ARG 26 HD3 ARG 26 17.107 -2.625 -7.717 207 HD3 ARG 26 HD2 ARG 26 16.866 -3.798 -6.406 208 HE ARG 26 HE ARG 26 16.897 -5.178 -8.918 209 HH11 ARG 26 HH22 ARG 26 18.480 -5.515 -6.210 210 HH12 ARG 26 HH21 ARG 26 20.097 -5.514 -6.832 211 HH21 ARG 26 HH11 ARG 26 19.179 -4.306 -9.951 212 HH22 ARG 26 HH12 ARG 26 20.492 -4.830 -8.950 213 H PHE 27 H PHE 27 12.038 -3.575 -4.445 214 HA PHE 27 HA PHE 27 11.225 -6.326 -4.066 215 HB2 PHE 27 HB3 PHE 27 11.645 -4.027 -2.543 216 HB3 PHE 27 HB2 PHE 27 9.905 -4.325 -2.394 217 HD1 PHE 27 HD1 PHE 27 13.259 -5.618 -1.755 218 HD2 PHE 27 HD2 PHE 27 9.065 -6.335 -1.390 219 HE1 PHE 27 HE1 PHE 27 13.729 -7.463 -0.151 220 HE2 PHE 27 HE2 PHE 27 9.506 -8.186 0.216 221 HZ PHE 27 HZ PHE 27 11.845 -8.747 0.835 222 H ASN 28 H ASN 28 9.654 -3.457 -5.331 223 HA ASN 28 HA ASN 28 6.928 -4.062 -5.021 224 HB2 ASN 28 HB3 ASN 28 7.626 -1.978 -5.949 225 HB3 ASN 28 HB2 ASN 28 8.544 -2.775 -7.225 226 HD21 ASN 28 HD22 ASN 28 6.995 -1.159 -8.494 227 HD22 ASN 28 HD21 ASN 28 5.515 -1.819 -9.001 228 H SER 29 H SER 29 8.492 -4.566 -8.167 229 HA SER 29 HA SER 29 6.743 -6.360 -9.316 230 HB2 SER 29 HB3 SER 29 8.828 -5.375 -10.294 231 HB3 SER 29 HB2 SER 29 9.773 -6.539 -9.370 232 HG SER 29 HG SER 29 7.866 -7.034 -11.410 233 H GLY 30 H GLY 30 9.052 -7.045 -6.741 234 HA2 GLY 30 HA3 GLY 30 8.812 -9.929 -6.925 235 HA3 GLY 30 HA2 GLY 30 9.497 -9.038 -5.566 236 H TYR 31 H TYR 31 7.175 -7.391 -5.141 237 HA TYR 31 HA TYR 31 5.615 -9.208 -3.481 238 HB2 TYR 31 HB3 TYR 31 6.051 -6.975 -2.716 239 HB3 TYR 31 HB2 TYR 31 5.475 -6.275 -4.228 240 HD1 TYR 31 HD1 TYR 31 4.426 -8.101 -1.165 241 HD2 TYR 31 HD2 TYR 31 3.148 -5.879 -4.611 242 HE1 TYR 31 HE1 TYR 31 2.130 -7.978 -0.234 243 HE2 TYR 31 HE2 TYR 31 0.853 -5.755 -3.681 244 HH TYR 31 HH TYR 31 -0.523 -7.251 -1.981 245 H ILE 32 H ILE 32 5.595 -8.813 -6.745 246 HA ILE 32 HA ILE 32 2.773 -8.441 -7.307 247 HB ILE 32 HB ILE 32 5.196 -9.462 -8.792 248 HG12 ILE 32 HG13 ILE 32 3.468 -6.976 -8.901 249 HG13 ILE 32 HG12 ILE 32 5.176 -7.082 -8.470 250 HG21 ILE 32 HG21 ILE 32 3.780 -9.455 -10.839 251 HG22 ILE 32 HG22 ILE 32 2.359 -9.176 -9.831 252 HG23 ILE 32 HG23 ILE 32 3.265 -10.682 -9.682 253 HD11 ILE 32 HD11 ILE 32 5.167 -6.310 -10.717 254 HD12 ILE 32 HD12 ILE 32 3.913 -7.456 -11.188 255 HD13 ILE 32 HD13 ILE 32 5.542 -8.030 -10.831 256 H LYS 33 H LYS 33 4.806 -11.199 -6.534 257 HA LYS 33 HA LYS 33 3.089 -13.291 -7.487 258 HB2 LYS 33 HB3 LYS 33 5.541 -13.312 -6.689 259 HB3 LYS 33 HB2 LYS 33 4.884 -13.388 -5.054 260 HG2 LYS 33 HG3 LYS 33 3.440 -15.360 -6.054 261 HG3 LYS 33 HG2 LYS 33 4.735 -15.425 -7.251 262 HD2 LYS 33 HD3 LYS 33 5.437 -15.304 -4.334 263 HD3 LYS 33 HD2 LYS 33 4.932 -16.841 -5.039 264 HE2 LYS 33 HE3 LYS 33 6.693 -16.550 -6.811 265 HE3 LYS 33 HE2 LYS 33 7.260 -15.110 -5.942 266 HZ1 LYS 33 HZ1 LYS 33 7.273 -17.922 -5.072 267 HZ2 LYS 33 HZ2 LYS 33 7.173 -16.692 -3.909 268 HZ3 LYS 33 HZ3 LYS 33 8.507 -16.760 -4.960 269 H ALA 34 H ALA 34 3.024 -11.276 -4.614 270 HA ALA 34 HA ALA 34 0.815 -12.937 -3.466 271 HB1 ALA 34 HB1 ALA 34 1.433 -11.182 -1.530 272 HB2 ALA 34 HB2 ALA 34 2.944 -11.110 -2.438 273 HB3 ALA 34 HB3 ALA 34 2.380 -12.649 -1.786 274 H SER 35 H SER 35 1.629 -9.756 -4.729 275 HA SER 35 HA SER 35 -0.591 -8.251 -3.800 276 HB2 SER 35 HB3 SER 35 1.529 -7.562 -5.087 277 HB3 SER 35 HB2 SER 35 0.669 -8.051 -6.543 278 HG SER 35 HG SER 35 -0.620 -6.370 -4.715 279 H GLN 36 H GLN 36 -0.268 -10.408 -6.597 280 HA GLN 36 HA GLN 36 -2.890 -9.868 -7.697 281 HB2 GLN 36 HB3 GLN 36 -0.764 -10.938 -8.740 282 HB3 GLN 36 HB2 GLN 36 -1.313 -12.429 -7.978 283 HG2 GLN 36 HG3 GLN 36 -2.853 -12.752 -9.586 284 HG3 GLN 36 HG2 GLN 36 -3.515 -11.136 -9.334 285 HE21 GLN 36 HE22 GLN 36 -3.603 -11.637 -11.914 286 HE22 GLN 36 HE21 GLN 36 -2.291 -11.000 -12.782 287 H GLU 37 H GLU 37 -1.571 -12.451 -5.646 288 HA GLU 37 HA GLU 37 -4.015 -13.919 -5.323 289 HB2 GLU 37 HB3 GLU 37 -1.477 -13.632 -3.688 290 HB3 GLU 37 HB2 GLU 37 -2.726 -14.821 -3.323 291 HG2 GLU 37 HG3 GLU 37 -1.804 -14.729 -6.144 292 HG3 GLU 37 HG2 GLU 37 -0.641 -15.342 -4.966 293 H LEU 38 H LEU 38 -2.733 -11.045 -3.770 294 HA LEU 38 HA LEU 38 -4.518 -11.138 -1.464 295 HB2 LEU 38 HB3 LEU 38 -2.443 -9.399 -2.659 296 HB3 LEU 38 HB2 LEU 38 -3.663 -8.550 -1.708 297 HG LEU 38 HG LEU 38 -3.254 -10.342 0.095 298 HD11 LEU 38 HD11 LEU 38 -1.267 -11.622 -0.006 299 HD12 LEU 38 HD12 LEU 38 -0.607 -10.650 -1.322 300 HD13 LEU 38 HD13 LEU 38 -1.942 -11.759 -1.629 301 HD21 LEU 38 HD21 LEU 38 -2.464 -7.986 0.235 302 HD22 LEU 38 HD22 LEU 38 -0.990 -8.448 -0.615 303 HD23 LEU 38 HD23 LEU 38 -1.328 -9.107 0.986 304 H VAL 39 H VAL 39 -4.612 -9.757 -4.702 305 HA VAL 39 HA VAL 39 -6.904 -8.032 -4.228 306 HB VAL 39 HB VAL 39 -5.446 -9.137 -6.631 307 HG11 VAL 39 HG11 VAL 39 -8.106 -7.891 -6.488 308 HG12 VAL 39 HG12 VAL 39 -7.353 -8.784 -7.809 309 HG13 VAL 39 HG13 VAL 39 -6.998 -7.071 -7.588 310 HG21 VAL 39 HG21 VAL 39 -5.800 -6.249 -5.858 311 HG22 VAL 39 HG22 VAL 39 -4.491 -7.000 -6.771 312 HG23 VAL 39 HG23 VAL 39 -4.603 -7.242 -5.028 313 H SER 40 H SER 40 -6.438 -11.393 -5.118 314 HA SER 40 HA SER 40 -9.137 -11.829 -6.124 315 HB2 SER 40 HB3 SER 40 -6.751 -13.118 -6.266 316 HB3 SER 40 HB2 SER 40 -7.522 -14.052 -4.989 317 HG SER 40 HG SER 40 -8.429 -15.014 -6.638 318 H TYR 41 H TYR 41 -7.607 -11.826 -2.976 319 HA TYR 41 HA TYR 41 -9.669 -13.376 -1.620 320 HB2 TYR 41 HB3 TYR 41 -7.184 -11.894 -1.026 321 HB3 TYR 41 HB2 TYR 41 -8.359 -11.900 0.290 322 HD1 TYR 41 HD1 TYR 41 -7.976 -14.561 -2.269 323 HD2 TYR 41 HD2 TYR 41 -7.248 -13.397 1.802 324 HE1 TYR 41 HE1 TYR 41 -7.346 -16.895 -1.713 325 HE2 TYR 41 HE2 TYR 41 -6.617 -15.731 2.356 326 HH TYR 41 HH TYR 41 -6.275 -18.183 -0.138 327 H THR 42 H THR 42 -9.194 -9.999 -2.447 328 HA THR 42 HA THR 42 -11.372 -9.119 -0.634 329 HB THR 42 HB THR 42 -9.962 -7.393 -2.648 330 HG1 THR 42 HG1 THR 42 -8.838 -8.798 -0.527 331 HG21 THR 42 HG21 THR 42 -9.922 -6.043 -0.335 332 HG22 THR 42 HG22 THR 42 -11.271 -7.124 0.016 333 HG23 THR 42 HG23 THR 42 -11.340 -6.054 -1.384 334 H ILE 43 H ILE 43 -11.020 -10.278 -3.816 335 HA ILE 43 HA ILE 43 -13.228 -8.709 -4.975 336 HB ILE 43 HB ILE 43 -11.435 -10.980 -5.843 337 HG12 ILE 43 HG13 ILE 43 -11.860 -8.236 -7.050 338 HG13 ILE 43 HG12 ILE 43 -10.671 -8.545 -5.784 339 HG21 ILE 43 HG21 ILE 43 -12.678 -10.307 -8.140 340 HG22 ILE 43 HG22 ILE 43 -14.007 -10.044 -7.011 341 HG23 ILE 43 HG23 ILE 43 -13.236 -11.627 -7.112 342 HD11 ILE 43 HD11 ILE 43 -10.452 -10.536 -7.872 343 HD12 ILE 43 HD12 ILE 43 -9.226 -9.420 -7.272 344 HD13 ILE 43 HD13 ILE 43 -10.326 -8.915 -8.556 345 H LYS 44 H LYS 44 -12.694 -11.835 -3.466 346 HA LYS 44 HA LYS 44 -15.602 -12.488 -3.844 347 HB2 LYS 44 HB3 LYS 44 -13.291 -13.839 -4.616 348 HB3 LYS 44 HB2 LYS 44 -13.809 -14.677 -3.155 349 HG2 LYS 44 HG3 LYS 44 -15.171 -15.810 -4.599 350 HG3 LYS 44 HG2 LYS 44 -16.198 -14.388 -4.418 351 HD2 LYS 44 HD3 LYS 44 -15.130 -13.367 -6.399 352 HD3 LYS 44 HD2 LYS 44 -14.119 -14.800 -6.588 353 HE2 LYS 44 HE3 LYS 44 -16.768 -15.767 -6.382 354 HE3 LYS 44 HE2 LYS 44 -16.831 -14.389 -7.500 355 HZ1 LYS 44 HZ1 LYS 44 -14.560 -15.503 -8.268 356 HZ2 LYS 44 HZ2 LYS 44 -16.054 -15.931 -8.947 357 HZ3 LYS 44 HZ3 LYS 44 -15.365 -16.900 -7.733 358 H LEU 45 H LEU 45 -14.239 -10.949 -1.635 359 HA LEU 45 HA LEU 45 -14.224 -12.739 0.681 360 HB2 LEU 45 HB3 LEU 45 -13.363 -10.870 1.793 361 HB3 LEU 45 HB2 LEU 45 -12.871 -10.552 0.132 362 HG LEU 45 HG LEU 45 -15.270 -9.382 1.572 363 HD11 LEU 45 HD11 LEU 45 -13.371 -7.601 0.239 364 HD12 LEU 45 HD12 LEU 45 -12.613 -8.575 1.498 365 HD13 LEU 45 HD13 LEU 45 -13.991 -7.546 1.889 366 HD21 LEU 45 HD21 LEU 45 -14.381 -9.114 -1.318 367 HD22 LEU 45 HD22 LEU 45 -15.632 -8.130 -0.559 368 HD23 LEU 45 HD23 LEU 45 -15.871 -9.866 -0.751 369 H SER 46 H SER 46 -16.794 -12.328 -0.919 370 HA SER 46 HA SER 46 -18.519 -11.713 1.438 371 HB2 SER 46 HB3 SER 46 -19.814 -10.176 0.162 372 HB3 SER 46 HB2 SER 46 -18.145 -9.772 -0.229 373 HG SER 46 HG SER 46 -18.788 -10.095 -2.207 374 H HIS 47 H HIS 47 -17.828 -14.272 0.431 375 HA HIS 47 HA HIS 47 -20.494 -15.195 -0.547 376 HB2 HIS 47 HB3 HIS 47 -17.994 -15.111 -1.961 377 HB3 HIS 47 HB2 HIS 47 -18.441 -16.796 -1.698 378 HD1 HIS 47 HD1 HIS 47 -21.539 -16.452 -1.841 379 HD2 HIS 47 HD2 HIS 47 -18.869 -14.847 -4.611 380 HE1 HIS 47 HE1 HIS 47 -22.855 -16.078 -3.973 381 H ASP 48 H ASP 48 -18.798 -15.200 1.998 382 HA ASP 48 HA ASP 48 -17.643 -17.468 2.894 383 HB2 ASP 48 HB3 ASP 48 -18.749 -15.387 4.074 384 HB3 ASP 48 HB2 ASP 48 -20.046 -16.535 4.391 385 HA PRO 49 HA PRO 49 -20.743 -20.421 1.420 386 HB2 PRO 49 HB2 PRO 49 -18.900 -22.386 0.944 387 HB3 PRO 49 HB3 PRO 49 -19.247 -21.090 -0.218 388 HG2 PRO 49 HG3 PRO 49 -16.966 -21.388 1.659 389 HG3 PRO 49 HG2 PRO 49 -17.007 -20.702 0.028 390 HD2 PRO 49 HD3 PRO 49 -16.967 -19.210 2.353 391 HD3 PRO 49 HD2 PRO 49 -17.569 -18.622 0.791 392 H ILE 50 H ILE 50 -18.048 -20.869 3.676 393 HA ILE 50 HA ILE 50 -19.023 -23.235 4.972 394 HB ILE 50 HB ILE 50 -17.337 -20.969 6.070 395 HG12 ILE 50 HG13 ILE 50 -16.363 -21.631 3.976 396 HG13 ILE 50 HG12 ILE 50 -15.434 -22.444 5.237 397 HG21 ILE 50 HG21 ILE 50 -17.674 -22.363 7.888 398 HG22 ILE 50 HG22 ILE 50 -16.278 -23.154 7.154 399 HG23 ILE 50 HG23 ILE 50 -17.899 -23.794 6.882 400 HD11 ILE 50 HD11 ILE 50 -16.949 -24.449 4.924 401 HD12 ILE 50 HD12 ILE 50 -15.908 -24.089 3.547 402 HD13 ILE 50 HD13 ILE 50 -17.613 -23.637 3.506 403 H GLU 51 H GLU 51 -19.540 -19.780 5.569 404 HA GLU 51 HA GLU 51 -21.139 -20.242 7.980 405 HB2 GLU 51 HB3 GLU 51 -20.417 -17.902 6.209 406 HB3 GLU 51 HB2 GLU 51 -21.580 -17.719 7.524 407 HG2 GLU 51 HG3 GLU 51 -19.725 -18.898 8.961 408 HG3 GLU 51 HG2 GLU 51 -18.649 -18.362 7.670 409 H TYR 52 H TYR 52 -21.699 -20.023 4.544 410 HA TYR 52 HA TYR 52 -24.605 -19.577 4.866 411 HB2 TYR 52 HB3 TYR 52 -23.814 -18.447 3.006 412 HB3 TYR 52 HB2 TYR 52 -22.547 -19.632 2.699 413 HD1 TYR 52 HD2 TYR 52 -23.239 -21.930 1.808 414 HD2 TYR 52 HD1 TYR 52 -25.852 -18.524 1.809 415 HE1 TYR 52 HE2 TYR 52 -24.658 -23.020 0.086 416 HE2 TYR 52 HE1 TYR 52 -27.272 -19.609 0.089 417 HH TYR 52 HH TYR 52 -27.626 -21.444 -1.110 418 H LEU 53 H LEU 53 -22.343 -22.211 4.394 419 HA LEU 53 HA LEU 53 -24.170 -24.145 3.294 420 HB2 LEU 53 HB3 LEU 53 -21.565 -24.067 3.525 421 HB3 LEU 53 HB2 LEU 53 -21.856 -24.786 5.108 422 HG LEU 53 HG LEU 53 -23.456 -26.147 3.141 423 HD11 LEU 53 HD11 LEU 53 -21.286 -27.182 2.053 424 HD12 LEU 53 HD12 LEU 53 -20.587 -25.610 2.439 425 HD13 LEU 53 HD13 LEU 53 -21.994 -25.713 1.380 426 HD21 LEU 53 HD21 LEU 53 -22.230 -28.094 4.016 427 HD22 LEU 53 HD22 LEU 53 -22.708 -27.029 5.338 428 HD23 LEU 53 HD23 LEU 53 -21.042 -27.024 4.761 429 H LEU 54 H LEU 54 -23.113 -23.463 6.628 430 HA LEU 54 HA LEU 54 -24.437 -25.452 8.053 431 HB2 LEU 54 HB3 LEU 54 -23.625 -22.635 8.478 432 HB3 LEU 54 HB2 LEU 54 -24.821 -23.251 9.620 433 HG LEU 54 HG LEU 54 -23.261 -25.306 9.835 434 HD11 LEU 54 HD11 LEU 54 -21.807 -23.666 7.957 435 HD12 LEU 54 HD12 LEU 54 -21.425 -25.289 8.532 436 HD13 LEU 54 HD13 LEU 54 -20.850 -23.880 9.424 437 HD21 LEU 54 HD21 LEU 54 -21.633 -23.342 11.084 438 HD22 LEU 54 HD22 LEU 54 -22.931 -24.285 11.817 439 HD23 LEU 54 HD23 LEU 54 -23.282 -22.714 11.093 440 H GLU 55 H GLU 55 -25.829 -22.328 7.034 441 HA GLU 55 HA GLU 55 -28.499 -22.953 7.965 442 HB2 GLU 55 HB3 GLU 55 -27.066 -20.748 7.072 443 HB3 GLU 55 HB2 GLU 55 -28.225 -21.020 5.771 444 HG2 GLU 55 HG3 GLU 55 -29.633 -19.817 7.098 445 HG3 GLU 55 HG2 GLU 55 -29.827 -21.348 7.955 446 H GLN 56 H GLN 56 -26.744 -23.420 4.950 447 HA GLN 56 HA GLN 56 -29.129 -24.175 3.416 448 HB2 GLN 56 HB3 GLN 56 -26.614 -23.235 2.857 449 HB3 GLN 56 HB2 GLN 56 -26.428 -24.950 2.490 450 HG2 GLN 56 HG3 GLN 56 -27.171 -23.778 0.482 451 HG3 GLN 56 HG2 GLN 56 -28.469 -24.826 1.058 452 HE21 GLN 56 HE22 GLN 56 -30.413 -23.724 0.758 453 HE22 GLN 56 HE21 GLN 56 -30.674 -22.091 1.141 454 H ILE 57 H ILE 57 -26.920 -25.731 5.572 455 HA ILE 57 HA ILE 57 -27.379 -28.431 4.483 456 HB ILE 57 HB ILE 57 -25.427 -27.080 5.993 457 HG12 ILE 57 HG13 ILE 57 -25.788 -30.025 5.367 458 HG13 ILE 57 HG12 ILE 57 -24.994 -28.825 4.346 459 HG21 ILE 57 HG21 ILE 57 -26.870 -29.174 7.625 460 HG22 ILE 57 HG22 ILE 57 -26.519 -27.507 8.082 461 HG23 ILE 57 HG23 ILE 57 -25.209 -28.681 7.952 462 HD11 ILE 57 HD11 ILE 57 -23.479 -28.415 6.436 463 HD12 ILE 57 HD12 ILE 57 -23.178 -29.834 5.431 464 HD13 ILE 57 HD13 ILE 57 -24.056 -30.000 6.952 465 H GLN 58 H GLN 58 -28.681 -26.326 6.954 466 HA GLN 58 HA GLN 58 -30.062 -28.481 8.399 467 HB2 GLN 58 HB3 GLN 58 -29.230 -25.859 8.872 468 HB3 GLN 58 HB2 GLN 58 -30.988 -25.738 8.800 469 HG2 GLN 58 HG3 GLN 58 -30.297 -26.219 11.097 470 HG3 GLN 58 HG2 GLN 58 -31.155 -27.611 10.434 471 HE21 GLN 58 HE22 GLN 58 -28.038 -26.469 11.583 472 HE22 GLN 58 HE21 GLN 58 -27.229 -27.956 11.449 473 H ASN 59 H ASN 59 -30.706 -26.342 5.721 474 HA ASN 59 HA ASN 59 -33.632 -26.799 5.841 475 HB2 ASN 59 HB3 ASN 59 -32.021 -24.716 5.082 476 HB3 ASN 59 HB2 ASN 59 -32.393 -25.450 3.522 477 HD21 ASN 59 HD22 ASN 59 -33.491 -22.971 3.858 478 HD22 ASN 59 HD21 ASN 59 -35.152 -23.071 4.193 479 H LEU 60 H LEU 60 -30.798 -27.826 4.014 480 HA LEU 60 HA LEU 60 -32.395 -29.198 1.957 481 HB2 LEU 60 HB3 LEU 60 -29.872 -28.095 2.145 482 HB3 LEU 60 HB2 LEU 60 -29.533 -29.823 2.238 483 HG LEU 60 HG LEU 60 -29.523 -29.088 -0.103 484 HD11 LEU 60 HD11 LEU 60 -30.874 -31.251 0.925 485 HD12 LEU 60 HD12 LEU 60 -30.569 -30.985 -0.791 486 HD13 LEU 60 HD13 LEU 60 -32.110 -30.500 -0.084 487 HD21 LEU 60 HD21 LEU 60 -31.289 -27.228 0.523 488 HD22 LEU 60 HD22 LEU 60 -32.459 -28.473 0.082 489 HD23 LEU 60 HD23 LEU 60 -31.277 -27.914 -1.102 490 H HIS 61 H HIS 61 -30.758 -29.982 4.965 491 HA HIS 61 HA HIS 61 -30.307 -32.708 4.857 492 HB2 HIS 61 HB3 HIS 61 -30.393 -30.805 6.772 493 HB3 HIS 61 HB2 HIS 61 -31.856 -31.695 7.188 494 HD1 HIS 61 HD1 HIS 61 -30.108 -34.305 5.819 495 HD2 HIS 61 HD2 HIS 61 -29.440 -32.108 9.298 496 HE1 HIS 61 HE1 HIS 61 -28.671 -35.756 7.317 497 H ARG 62 H ARG 62 -33.440 -31.080 5.050 498 HA ARG 62 HA ARG 62 -34.897 -33.648 5.237 499 HB2 ARG 62 HB3 ARG 62 -35.292 -31.017 6.059 500 HB3 ARG 62 HB2 ARG 62 -36.421 -31.203 4.717 501 HG2 ARG 62 HG3 ARG 62 -36.314 -33.471 6.623 502 HG3 ARG 62 HG2 ARG 62 -36.993 -31.970 7.257 503 HD2 ARG 62 HD3 ARG 62 -37.960 -32.641 4.554 504 HD3 ARG 62 HD2 ARG 62 -38.426 -33.816 5.800 505 HE ARG 62 HE ARG 62 -38.988 -30.881 5.964 506 HH11 ARG 62 HH11 ARG 62 -38.831 -33.422 8.058 507 HH12 ARG 62 HH12 ARG 62 -40.500 -33.412 8.519 508 HH21 ARG 62 HH22 ARG 62 -41.444 -31.174 6.044 509 HH22 ARG 62 HH21 ARG 62 -41.980 -32.140 7.378 510 H VAL 63 H VAL 63 -33.976 -31.279 2.824 511 HA VAL 63 HA VAL 63 -35.823 -32.480 0.817 512 HB VAL 63 HB VAL 63 -33.918 -30.150 0.520 513 HG11 VAL 63 HG11 VAL 63 -34.833 -30.814 -1.577 514 HG12 VAL 63 HG12 VAL 63 -35.811 -29.441 -1.057 515 HG13 VAL 63 HG13 VAL 63 -36.430 -31.083 -0.877 516 HG21 VAL 63 HG21 VAL 63 -36.523 -29.189 0.994 517 HG22 VAL 63 HG22 VAL 63 -35.131 -29.041 2.067 518 HG23 VAL 63 HG23 VAL 63 -36.238 -30.404 2.241 519 H THR 64 H THR 64 -32.796 -33.125 1.985 520 HA THR 64 HA THR 64 -31.047 -33.309 -0.207 521 HB THR 64 HB THR 64 -31.262 -35.531 1.799 522 HG1 THR 64 HG1 THR 64 -31.148 -34.212 3.413 523 HG21 THR 64 HG21 THR 64 -29.330 -34.698 0.020 524 HG22 THR 64 HG22 THR 64 -29.033 -35.703 1.438 525 HG23 THR 64 HG23 THR 64 -28.797 -33.958 1.530 526 H LEU 65 H LEU 65 -33.864 -35.257 0.557 527 HA LEU 65 HA LEU 65 -33.184 -37.317 -1.453 528 HB2 LEU 65 HB3 LEU 65 -34.626 -37.190 0.927 529 HB3 LEU 65 HB2 LEU 65 -35.879 -37.305 -0.309 530 HG LEU 65 HG LEU 65 -34.648 -39.258 -1.293 531 HD11 LEU 65 HD11 LEU 65 -33.058 -40.288 0.581 532 HD12 LEU 65 HD12 LEU 65 -32.845 -38.587 0.998 533 HD13 LEU 65 HD13 LEU 65 -32.436 -39.157 -0.621 534 HD21 LEU 65 HD21 LEU 65 -35.448 -39.489 1.627 535 HD22 LEU 65 HD22 LEU 65 -35.298 -40.843 0.508 536 HD23 LEU 65 HD23 LEU 65 -36.536 -39.614 0.244 537 H ALA 66 H ALA 66 -35.143 -34.427 -1.160 538 HA ALA 66 HA ALA 66 -36.615 -35.033 -3.670 539 HB1 ALA 66 HB1 ALA 66 -37.834 -32.953 -3.018 540 HB2 ALA 66 HB2 ALA 66 -36.729 -32.762 -1.658 541 HB3 ALA 66 HB3 ALA 66 -37.817 -34.148 -1.722 542 H GLU 67 H GLU 67 -34.743 -34.840 -5.119 543 HA GLU 67 HA GLU 67 -33.285 -33.636 -6.540 544 HB2 GLU 67 HB3 GLU 67 -35.229 -31.423 -5.806 545 HB3 GLU 67 HB2 GLU 67 -34.254 -31.518 -7.274 546 HG2 GLU 67 HG3 GLU 67 -35.566 -33.178 -8.207 547 HG3 GLU 67 HG2 GLU 67 -36.057 -33.818 -6.638 548 H GLY 68 H GLY 68 -31.446 -33.667 -5.079 549 HA2 GLY 68 HA3 GLY 68 -31.118 -31.625 -3.038 550 HA3 GLY 68 HA2 GLY 68 -29.861 -32.725 -3.609 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 40.563 -0.379 -3.888 2 H2 ASP 1 H2 ASP 1 39.139 0.302 -3.260 3 H3 ASP 1 H3 ASP 1 39.830 0.931 -4.678 4 HA ASP 1 HA ASP 1 37.812 -0.561 -4.984 5 HB2 ASP 1 HB3 ASP 1 40.014 0.086 -6.459 6 HB3 ASP 1 HB2 ASP 1 40.117 -1.674 -6.479 7 H GLN 2 H GLN 2 39.823 -1.643 -2.716 8 HA GLN 2 HA GLN 2 38.909 -4.468 -3.024 9 HB2 GLN 2 HB3 GLN 2 41.386 -3.741 -3.786 10 HB3 GLN 2 HB2 GLN 2 41.689 -3.965 -2.063 11 HG2 GLN 2 HG3 GLN 2 40.368 -6.212 -2.412 12 HG3 GLN 2 HG2 GLN 2 40.805 -5.980 -4.106 13 HE21 GLN 2 HE22 GLN 2 43.375 -4.585 -3.337 14 HE22 GLN 2 HE21 GLN 2 44.413 -5.824 -2.819 15 H ASN 3 H ASN 3 39.434 -5.674 -0.878 16 HA ASN 3 HA ASN 3 39.263 -5.777 1.522 17 HB2 ASN 3 HB3 ASN 3 40.789 -3.474 0.804 18 HB3 ASN 3 HB2 ASN 3 39.696 -2.994 2.103 19 HD21 ASN 3 HD22 ASN 3 39.748 -4.390 4.116 20 HD22 ASN 3 HD21 ASN 3 41.189 -5.190 4.517 21 H HIS 4 H HIS 4 37.108 -4.548 -0.466 22 HA HIS 4 HA HIS 4 34.864 -3.846 -0.213 23 HB2 HIS 4 HB3 HIS 4 35.602 -5.454 1.967 24 HB3 HIS 4 HB2 HIS 4 34.797 -4.061 2.690 25 HD1 HIS 4 HD1 HIS 4 34.109 -6.117 -0.462 26 HD2 HIS 4 HD2 HIS 4 32.119 -4.658 2.898 27 HE1 HIS 4 HE1 HIS 4 31.689 -6.824 -0.701 28 H ILE 5 H ILE 5 36.874 -1.816 -0.220 29 HA ILE 5 HA ILE 5 37.147 0.466 0.300 30 HB ILE 5 HB ILE 5 34.311 -0.283 0.822 31 HG12 ILE 5 HG13 ILE 5 34.005 1.332 -1.118 32 HG13 ILE 5 HG12 ILE 5 35.765 1.421 -1.210 33 HG21 ILE 5 HG21 ILE 5 33.814 2.208 1.016 34 HG22 ILE 5 HG22 ILE 5 35.541 2.445 1.286 35 HG23 ILE 5 HG23 ILE 5 34.594 1.489 2.425 36 HD11 ILE 5 HD11 ILE 5 35.939 -0.937 -1.662 37 HD12 ILE 5 HD12 ILE 5 34.716 -0.289 -2.754 38 HD13 ILE 5 HD13 ILE 5 34.228 -1.186 -1.316 39 H GLU 6 H GLU 6 37.255 -1.789 2.481 40 HA GLU 6 HA GLU 6 37.764 -1.908 4.788 41 HB2 GLU 6 HB3 GLU 6 38.860 0.503 3.579 42 HB3 GLU 6 HB2 GLU 6 38.558 0.734 5.301 43 HG2 GLU 6 HG3 GLU 6 39.706 -1.594 5.570 44 HG3 GLU 6 HG2 GLU 6 40.346 -1.280 3.958 45 H GLN 7 H GLN 7 37.186 -0.860 6.959 46 HA GLN 7 HA GLN 7 35.425 -0.216 8.410 47 HB2 GLN 7 HB3 GLN 7 35.333 1.912 6.245 48 HB3 GLN 7 HB2 GLN 7 34.637 2.079 7.857 49 HG2 GLN 7 HG3 GLN 7 36.634 2.701 8.679 50 HG3 GLN 7 HG2 GLN 7 37.350 1.188 8.124 51 HE21 GLN 7 HE22 GLN 7 39.254 1.859 7.076 52 HE22 GLN 7 HE21 GLN 7 39.305 3.022 5.841 53 HA PRO 8 HA PRO 8 32.163 -2.096 5.786 54 HB2 PRO 8 HB2 PRO 8 31.308 -3.852 7.704 55 HB3 PRO 8 HB3 PRO 8 32.666 -4.198 6.614 56 HG2 PRO 8 HG3 PRO 8 32.698 -3.294 9.447 57 HG3 PRO 8 HG2 PRO 8 33.762 -4.439 8.614 58 HD2 PRO 8 HD3 PRO 8 34.451 -1.852 9.170 59 HD3 PRO 8 HD2 PRO 8 35.128 -2.788 7.819 60 H PHE 9 H PHE 9 32.255 -0.498 8.850 61 HA PHE 9 HA PHE 9 29.306 -0.320 9.081 62 HB2 PHE 9 HB3 PHE 9 31.721 0.428 10.711 63 HB3 PHE 9 HB2 PHE 9 30.153 1.133 11.103 64 HD1 PHE 9 HD2 PHE 9 28.144 -0.574 11.238 65 HD2 PHE 9 HD1 PHE 9 32.285 -1.650 11.621 66 HE1 PHE 9 HE2 PHE 9 27.493 -2.663 12.408 67 HE2 PHE 9 HE1 PHE 9 31.635 -3.738 12.789 68 HZ PHE 9 HZ PHE 9 29.239 -4.245 13.183 69 H TYR 10 H TYR 10 32.034 1.567 7.965 70 HA TYR 10 HA TYR 10 30.913 4.189 8.108 71 HB2 TYR 10 HB3 TYR 10 33.225 3.937 7.696 72 HB3 TYR 10 HB2 TYR 10 32.954 2.798 6.378 73 HD1 TYR 10 HD1 TYR 10 31.923 3.619 4.223 74 HD2 TYR 10 HD2 TYR 10 33.250 6.291 7.315 75 HE1 TYR 10 HE1 TYR 10 31.922 5.496 2.602 76 HE2 TYR 10 HE2 TYR 10 33.248 8.167 5.694 77 HH TYR 10 HH TYR 10 33.119 8.705 3.507 78 H LEU 11 H LEU 11 30.344 1.519 5.912 79 HA LEU 11 HA LEU 11 29.177 3.057 3.755 80 HB2 LEU 11 HB3 LEU 11 29.896 0.388 4.375 81 HB3 LEU 11 HB2 LEU 11 28.177 0.359 3.984 82 HG LEU 11 HG LEU 11 28.741 1.736 1.921 83 HD11 LEU 11 HD11 LEU 11 31.371 1.510 3.174 84 HD12 LEU 11 HD12 LEU 11 30.835 2.588 1.886 85 HD13 LEU 11 HD13 LEU 11 31.384 0.958 1.499 86 HD21 LEU 11 HD21 LEU 11 30.261 -0.835 1.757 87 HD22 LEU 11 HD22 LEU 11 29.018 -0.197 0.680 88 HD23 LEU 11 HD23 LEU 11 28.563 -0.915 2.226 89 H MET 12 H MET 12 27.733 1.064 6.343 90 HA MET 12 HA MET 12 25.008 1.582 5.791 91 HB2 MET 12 HB3 MET 12 26.565 0.260 7.689 92 HB3 MET 12 HB2 MET 12 25.680 1.457 8.634 93 HG2 MET 12 HG3 MET 12 23.569 0.683 7.490 94 HG3 MET 12 HG2 MET 12 24.509 -0.629 6.777 95 HE1 MET 12 HE1 MET 12 21.975 -0.982 9.920 96 HE2 MET 12 HE2 MET 12 22.305 -2.283 8.768 97 HE3 MET 12 HE3 MET 12 22.057 -0.635 8.195 98 H GLY 13 H GLY 13 27.442 3.710 7.004 99 HA2 GLY 13 HA3 GLY 13 26.063 5.478 8.668 100 HA3 GLY 13 HA2 GLY 13 27.311 5.999 7.535 101 H ARG 14 H ARG 14 26.166 5.551 5.091 102 HA ARG 14 HA ARG 14 23.832 7.424 5.146 103 HB2 ARG 14 HB3 ARG 14 25.925 8.124 4.002 104 HB3 ARG 14 HB2 ARG 14 25.808 6.710 2.954 105 HG2 ARG 14 HG3 ARG 14 23.286 8.034 2.885 106 HG3 ARG 14 HG2 ARG 14 24.535 9.255 2.639 107 HD2 ARG 14 HD3 ARG 14 25.548 7.454 0.985 108 HD3 ARG 14 HD2 ARG 14 23.876 6.862 0.951 109 HE ARG 14 HE ARG 14 23.172 9.128 0.239 110 HH11 ARG 14 HH11 ARG 14 26.196 9.834 1.201 111 HH12 ARG 14 HH12 ARG 14 26.770 10.476 -0.302 112 HH21 ARG 14 HH22 ARG 14 24.050 9.343 -2.130 113 HH22 ARG 14 HH21 ARG 14 25.554 10.199 -2.187 114 H ASP 15 H ASP 15 23.575 4.508 5.567 115 HA ASP 15 HA ASP 15 22.729 3.204 3.136 116 HB2 ASP 15 HB3 ASP 15 22.963 2.708 5.965 117 HB3 ASP 15 HB2 ASP 15 21.389 2.142 5.404 118 H LYS 16 H LYS 16 21.238 5.550 5.203 119 HA LYS 16 HA LYS 16 18.497 5.038 5.019 120 HB2 LYS 16 HB3 LYS 16 19.458 6.899 6.253 121 HB3 LYS 16 HB2 LYS 16 20.063 7.623 4.763 122 HG2 LYS 16 HG3 LYS 16 18.122 8.751 4.594 123 HG3 LYS 16 HG2 LYS 16 17.307 7.208 4.340 124 HD2 LYS 16 HD3 LYS 16 17.625 7.174 7.048 125 HD3 LYS 16 HD2 LYS 16 17.421 8.902 6.760 126 HE2 LYS 16 HE3 LYS 16 15.385 8.234 5.305 127 HE3 LYS 16 HE2 LYS 16 15.500 6.659 6.115 128 HZ1 LYS 16 HZ1 LYS 16 14.089 8.143 7.386 129 HZ2 LYS 16 HZ2 LYS 16 15.321 9.306 7.457 130 HZ3 LYS 16 HZ3 LYS 16 15.514 7.817 8.252 131 H ALA 17 H ALA 17 19.612 7.647 2.944 132 HA ALA 17 HA ALA 17 17.741 7.431 0.919 133 HB1 ALA 17 HB1 ALA 17 20.276 8.014 -0.268 134 HB2 ALA 17 HB2 ALA 17 20.286 8.650 1.377 135 HB3 ALA 17 HB3 ALA 17 19.030 9.151 0.247 136 H LEU 18 H LEU 18 20.485 5.323 1.482 137 HA LEU 18 HA LEU 18 20.503 4.085 -1.146 138 HB2 LEU 18 HB3 LEU 18 22.103 4.164 1.107 139 HB3 LEU 18 HB2 LEU 18 21.454 2.526 1.162 140 HG LEU 18 HG LEU 18 23.465 2.424 -0.147 141 HD11 LEU 18 HD11 LEU 18 21.099 1.516 -1.058 142 HD12 LEU 18 HD12 LEU 18 22.602 1.295 -1.954 143 HD13 LEU 18 HD13 LEU 18 21.505 2.609 -2.382 144 HD21 LEU 18 HD21 LEU 18 22.355 4.543 -1.994 145 HD22 LEU 18 HD22 LEU 18 24.009 3.939 -1.894 146 HD23 LEU 18 HD23 LEU 18 23.365 4.963 -0.611 147 H ALA 19 H ALA 19 18.725 3.586 1.838 148 HA ALA 19 HA ALA 19 17.798 0.905 1.274 149 HB1 ALA 19 HB1 ALA 19 15.976 2.393 2.901 150 HB2 ALA 19 HB2 ALA 19 17.613 2.921 3.292 151 HB3 ALA 19 HB3 ALA 19 17.182 1.216 3.418 152 H VAL 20 H VAL 20 16.761 4.110 0.291 153 HA VAL 20 HA VAL 20 14.071 3.373 -0.504 154 HB VAL 20 HB VAL 20 15.072 5.675 0.031 155 HG11 VAL 20 HG11 VAL 20 16.855 4.989 -1.957 156 HG12 VAL 20 HG12 VAL 20 16.590 6.626 -1.362 157 HG13 VAL 20 HG13 VAL 20 15.746 6.065 -2.806 158 HG21 VAL 20 HG21 VAL 20 12.947 5.958 -0.779 159 HG22 VAL 20 HG22 VAL 20 13.238 4.939 -2.189 160 HG23 VAL 20 HG23 VAL 20 13.806 6.609 -2.175 161 H GLU 21 H GLU 21 17.229 3.153 -2.010 162 HA GLU 21 HA GLU 21 16.210 2.809 -4.731 163 HB2 GLU 21 HB3 GLU 21 18.433 3.729 -4.243 164 HB3 GLU 21 HB2 GLU 21 18.882 2.246 -3.399 165 HG2 GLU 21 HG3 GLU 21 18.901 0.977 -5.392 166 HG3 GLU 21 HG2 GLU 21 17.974 2.190 -6.275 167 H GLN 22 H GLN 22 16.713 0.777 -1.962 168 HA GLN 22 HA GLN 22 16.870 -1.738 -3.462 169 HB2 GLN 22 HB3 GLN 22 17.724 -1.027 -1.059 170 HB3 GLN 22 HB2 GLN 22 16.095 -1.487 -0.569 171 HG2 GLN 22 HG3 GLN 22 17.724 -3.375 -0.398 172 HG3 GLN 22 HG2 GLN 22 16.394 -3.716 -1.505 173 HE21 GLN 22 HE22 GLN 22 17.479 -5.083 -3.003 174 HE22 GLN 22 HE21 GLN 22 18.817 -4.584 -3.922 175 H PHE 23 H PHE 23 14.416 0.076 -1.661 176 HA PHE 23 HA PHE 23 12.305 -1.862 -1.862 177 HB2 PHE 23 HB3 PHE 23 12.635 1.051 -1.286 178 HB3 PHE 23 HB2 PHE 23 11.007 0.479 -1.652 179 HD1 PHE 23 HD1 PHE 23 10.480 -1.917 -0.460 180 HD2 PHE 23 HD2 PHE 23 13.222 1.067 0.962 181 HE1 PHE 23 HE1 PHE 23 10.282 -2.830 1.838 182 HE2 PHE 23 HE2 PHE 23 13.025 0.155 3.259 183 HZ PHE 23 HZ PHE 23 11.555 -1.795 3.698 184 H ILE 24 H ILE 24 13.537 0.597 -4.069 185 HA ILE 24 HA ILE 24 11.269 0.653 -5.858 186 HB ILE 24 HB ILE 24 14.207 1.347 -6.036 187 HG12 ILE 24 HG13 ILE 24 11.621 2.915 -5.846 188 HG13 ILE 24 HG12 ILE 24 12.926 2.852 -4.661 189 HG21 ILE 24 HG21 ILE 24 12.053 1.626 -8.150 190 HG22 ILE 24 HG22 ILE 24 13.573 0.743 -8.289 191 HG23 ILE 24 HG23 ILE 24 13.582 2.505 -8.192 192 HD11 ILE 24 HD11 ILE 24 12.812 4.297 -7.281 193 HD12 ILE 24 HD12 ILE 24 14.376 3.719 -6.706 194 HD13 ILE 24 HD13 ILE 24 13.439 4.846 -5.726 195 H SER 25 H SER 25 14.295 -1.235 -5.789 196 HA SER 25 HA SER 25 13.802 -2.602 -8.299 197 HB2 SER 25 HB3 SER 25 15.993 -2.214 -7.028 198 HB3 SER 25 HB2 SER 25 15.486 -3.515 -5.953 199 HG SER 25 HG SER 25 16.682 -4.442 -7.564 200 H ARG 26 H ARG 26 12.670 -3.025 -5.043 201 HA ARG 26 HA ARG 26 11.784 -5.820 -5.592 202 HB2 ARG 26 HB3 ARG 26 13.020 -5.024 -3.484 203 HB3 ARG 26 HB2 ARG 26 11.522 -4.200 -3.049 204 HG2 ARG 26 HG3 ARG 26 10.339 -6.429 -3.344 205 HG3 ARG 26 HG2 ARG 26 11.936 -7.169 -3.463 206 HD2 ARG 26 HD3 ARG 26 12.399 -6.848 -1.226 207 HD3 ARG 26 HD2 ARG 26 11.455 -5.347 -1.142 208 HE ARG 26 HE ARG 26 9.892 -7.795 -1.648 209 HH11 ARG 26 HH11 ARG 26 11.063 -8.113 1.063 210 HH12 ARG 26 HH12 ARG 26 9.908 -7.306 2.070 211 HH21 ARG 26 HH22 ARG 26 8.408 -5.610 -0.555 212 HH22 ARG 26 HH21 ARG 26 8.405 -5.889 1.154 213 H PHE 27 H PHE 27 10.629 -2.674 -5.905 214 HA PHE 27 HA PHE 27 7.836 -3.267 -5.137 215 HB2 PHE 27 HB3 PHE 27 9.539 -0.996 -5.466 216 HB3 PHE 27 HB2 PHE 27 8.167 -0.809 -6.570 217 HD1 PHE 27 HD2 PHE 27 9.227 -1.109 -3.090 218 HD2 PHE 27 HD1 PHE 27 5.917 -0.654 -5.752 219 HE1 PHE 27 HE2 PHE 27 7.782 -0.476 -1.162 220 HE2 PHE 27 HE1 PHE 27 4.452 -0.016 -3.842 221 HZ PHE 27 HZ PHE 27 5.390 0.071 -1.544 222 H ASN 28 H ASN 28 9.839 -3.096 -8.017 223 HA ASN 28 HA ASN 28 7.632 -2.988 -9.915 224 HB2 ASN 28 HB3 ASN 28 9.843 -2.144 -10.460 225 HB3 ASN 28 HB2 ASN 28 10.568 -3.711 -10.107 226 HD21 ASN 28 HD22 ASN 28 11.190 -4.582 -12.098 227 HD22 ASN 28 HD21 ASN 28 10.202 -4.642 -13.476 228 H SER 29 H SER 29 10.050 -5.510 -10.201 229 HA SER 29 HA SER 29 8.177 -7.530 -10.957 230 HB2 SER 29 HB3 SER 29 10.800 -8.218 -9.698 231 HB3 SER 29 HB2 SER 29 10.096 -8.802 -11.204 232 HG SER 29 HG SER 29 10.831 -7.074 -12.232 233 H GLY 30 H GLY 30 9.252 -6.423 -7.825 234 HA2 GLY 30 HA3 GLY 30 8.615 -8.802 -6.333 235 HA3 GLY 30 HA2 GLY 30 8.762 -7.181 -5.657 236 H TYR 31 H TYR 31 6.758 -6.071 -7.459 237 HA TYR 31 HA TYR 31 4.405 -6.475 -5.872 238 HB2 TYR 31 HB3 TYR 31 5.060 -4.467 -7.248 239 HB3 TYR 31 HB2 TYR 31 4.678 -5.399 -8.696 240 HD1 TYR 31 HD1 TYR 31 3.063 -4.909 -5.344 241 HD2 TYR 31 HD2 TYR 31 2.620 -4.831 -9.612 242 HE1 TYR 31 HE1 TYR 31 0.666 -4.324 -5.082 243 HE2 TYR 31 HE2 TYR 31 0.222 -4.245 -9.354 244 HH TYR 31 HH TYR 31 -1.100 -2.987 -6.847 245 H ILE 32 H ILE 32 5.818 -8.485 -8.202 246 HA ILE 32 HA ILE 32 3.292 -9.531 -9.313 247 HB ILE 32 HB ILE 32 6.242 -10.115 -9.597 248 HG12 ILE 32 HG13 ILE 32 5.424 -8.170 -10.804 249 HG13 ILE 32 HG12 ILE 32 5.715 -9.462 -11.968 250 HG21 ILE 32 HG21 ILE 32 5.764 -12.210 -10.269 251 HG22 ILE 32 HG22 ILE 32 4.805 -11.524 -11.581 252 HG23 ILE 32 HG23 ILE 32 4.038 -11.929 -10.044 253 HD11 ILE 32 HD11 ILE 32 3.233 -10.072 -11.642 254 HD12 ILE 32 HD12 ILE 32 3.584 -8.607 -12.558 255 HD13 ILE 32 HD13 ILE 32 3.074 -8.493 -10.873 256 H LYS 33 H LYS 33 5.525 -10.246 -6.723 257 HA LYS 33 HA LYS 33 4.625 -13.014 -6.358 258 HB2 LYS 33 HB3 LYS 33 6.478 -11.053 -5.049 259 HB3 LYS 33 HB2 LYS 33 5.980 -12.476 -4.135 260 HG2 LYS 33 HG3 LYS 33 7.310 -12.466 -6.859 261 HG3 LYS 33 HG2 LYS 33 8.041 -12.983 -5.339 262 HD2 LYS 33 HD3 LYS 33 6.044 -14.641 -5.198 263 HD3 LYS 33 HD2 LYS 33 5.851 -14.316 -6.921 264 HE2 LYS 33 HE3 LYS 33 7.292 -16.229 -6.795 265 HE3 LYS 33 HE2 LYS 33 8.375 -14.859 -7.121 266 HZ1 LYS 33 HZ1 LYS 33 8.982 -16.360 -5.175 267 HZ2 LYS 33 HZ2 LYS 33 7.666 -15.665 -4.364 268 HZ3 LYS 33 HZ3 LYS 33 8.957 -14.688 -4.878 269 H ALA 34 H ALA 34 3.884 -9.831 -5.010 270 HA ALA 34 HA ALA 34 2.128 -11.002 -2.929 271 HB1 ALA 34 HB1 ALA 34 3.487 -9.140 -2.276 272 HB2 ALA 34 HB2 ALA 34 1.853 -8.499 -2.436 273 HB3 ALA 34 HB3 ALA 34 3.037 -8.222 -3.713 274 H SER 35 H SER 35 1.921 -9.507 -6.091 275 HA SER 35 HA SER 35 -0.631 -8.448 -6.244 276 HB2 SER 35 HB3 SER 35 1.329 -9.270 -7.985 277 HB3 SER 35 HB2 SER 35 0.021 -10.381 -8.381 278 HG SER 35 HG SER 35 -0.267 -7.564 -8.160 279 H GLN 36 H GLN 36 0.241 -11.805 -5.745 280 HA GLN 36 HA GLN 36 -2.438 -12.855 -6.310 281 HB2 GLN 36 HB3 GLN 36 -0.024 -13.946 -6.389 282 HB3 GLN 36 HB2 GLN 36 -0.338 -14.260 -4.683 283 HG2 GLN 36 HG3 GLN 36 -2.236 -15.593 -5.158 284 HG3 GLN 36 HG2 GLN 36 -2.350 -14.987 -6.812 285 HE21 GLN 36 HE22 GLN 36 -0.625 -17.247 -4.708 286 HE22 GLN 36 HE21 GLN 36 0.197 -18.056 -5.952 287 H GLU 37 H GLU 37 -0.518 -12.004 -3.465 288 HA GLU 37 HA GLU 37 -2.485 -12.896 -1.523 289 HB2 GLU 37 HB3 GLU 37 0.073 -12.507 -1.318 290 HB3 GLU 37 HB2 GLU 37 -0.342 -10.805 -1.119 291 HG2 GLU 37 HG3 GLU 37 -1.940 -12.650 0.536 292 HG3 GLU 37 HG2 GLU 37 -0.223 -12.609 0.937 293 H LEU 38 H LEU 38 -1.901 -9.924 -3.306 294 HA LEU 38 HA LEU 38 -3.643 -8.273 -1.633 295 HB2 LEU 38 HB3 LEU 38 -2.019 -8.055 -4.123 296 HB3 LEU 38 HB2 LEU 38 -3.339 -6.899 -3.936 297 HG LEU 38 HG LEU 38 -1.144 -6.108 -2.984 298 HD11 LEU 38 HD11 LEU 38 -2.188 -5.022 -1.209 299 HD12 LEU 38 HD12 LEU 38 -3.069 -6.466 -0.711 300 HD13 LEU 38 HD13 LEU 38 -3.585 -5.566 -2.136 301 HD21 LEU 38 HD21 LEU 38 -0.054 -7.255 -1.318 302 HD22 LEU 38 HD22 LEU 38 -0.863 -8.634 -2.063 303 HD23 LEU 38 HD23 LEU 38 -1.552 -7.877 -0.627 304 H VAL 39 H VAL 39 -3.983 -10.298 -4.480 305 HA VAL 39 HA VAL 39 -6.592 -9.236 -5.261 306 HB VAL 39 HB VAL 39 -4.873 -11.614 -5.978 307 HG11 VAL 39 HG11 VAL 39 -6.946 -11.294 -7.887 308 HG12 VAL 39 HG12 VAL 39 -7.723 -11.356 -6.305 309 HG13 VAL 39 HG13 VAL 39 -6.670 -12.673 -6.825 310 HG21 VAL 39 HG21 VAL 39 -4.411 -10.418 -7.946 311 HG22 VAL 39 HG22 VAL 39 -4.482 -9.142 -6.732 312 HG23 VAL 39 HG23 VAL 39 -5.860 -9.425 -7.795 313 H SER 40 H SER 40 -5.397 -11.706 -3.088 314 HA SER 40 HA SER 40 -7.944 -13.139 -2.879 315 HB2 SER 40 HB3 SER 40 -5.283 -13.629 -2.328 316 HB3 SER 40 HB2 SER 40 -5.957 -13.386 -0.719 317 HG SER 40 HG SER 40 -6.163 -15.551 -1.354 318 H TYR 41 H TYR 41 -6.363 -10.458 -1.255 319 HA TYR 41 HA TYR 41 -8.165 -10.500 1.064 320 HB2 TYR 41 HB3 TYR 41 -5.721 -9.703 0.904 321 HB3 TYR 41 HB2 TYR 41 -6.362 -8.265 0.108 322 HD1 TYR 41 HD1 TYR 41 -8.273 -6.994 1.330 323 HD2 TYR 41 HD2 TYR 41 -5.678 -9.829 3.249 324 HE1 TYR 41 HE1 TYR 41 -8.852 -6.029 3.539 325 HE2 TYR 41 HE2 TYR 41 -6.258 -8.864 5.458 326 HH TYR 41 HH TYR 41 -8.767 -6.412 5.790 327 H THR 42 H THR 42 -8.172 -9.164 -2.139 328 HA THR 42 HA THR 42 -10.340 -7.236 -1.422 329 HB THR 42 HB THR 42 -8.923 -7.537 -4.070 330 HG1 THR 42 HG1 THR 42 -7.992 -6.568 -1.634 331 HG21 THR 42 HG21 THR 42 -9.285 -4.921 -3.759 332 HG22 THR 42 HG22 THR 42 -10.551 -5.466 -2.660 333 HG23 THR 42 HG23 THR 42 -10.584 -5.956 -4.353 334 H ILE 43 H ILE 43 -10.081 -10.395 -2.392 335 HA ILE 43 HA ILE 43 -12.159 -10.366 -4.478 336 HB ILE 43 HB ILE 43 -10.085 -11.912 -4.173 337 HG12 ILE 43 HG13 ILE 43 -12.635 -13.438 -4.629 338 HG13 ILE 43 HG12 ILE 43 -12.179 -12.140 -5.733 339 HG21 ILE 43 HG21 ILE 43 -12.080 -13.255 -2.328 340 HG22 ILE 43 HG22 ILE 43 -10.537 -12.552 -1.847 341 HG23 ILE 43 HG23 ILE 43 -10.571 -13.972 -2.889 342 HD11 ILE 43 HD11 ILE 43 -10.639 -14.663 -5.100 343 HD12 ILE 43 HD12 ILE 43 -9.896 -13.282 -5.906 344 HD13 ILE 43 HD13 ILE 43 -11.244 -14.126 -6.667 345 H LYS 44 H LYS 44 -11.835 -11.435 -1.109 346 HA LYS 44 HA LYS 44 -14.815 -11.728 -0.961 347 HB2 LYS 44 HB3 LYS 44 -12.441 -13.054 0.283 348 HB3 LYS 44 HB2 LYS 44 -13.951 -13.021 1.194 349 HG2 LYS 44 HG3 LYS 44 -13.597 -14.099 -1.621 350 HG3 LYS 44 HG2 LYS 44 -13.827 -15.067 -0.164 351 HD2 LYS 44 HD3 LYS 44 -16.056 -14.850 -0.348 352 HD3 LYS 44 HD2 LYS 44 -15.902 -13.094 -0.278 353 HE2 LYS 44 HE3 LYS 44 -15.493 -13.014 -2.709 354 HE3 LYS 44 HE2 LYS 44 -15.623 -14.783 -2.791 355 HZ1 LYS 44 HZ1 LYS 44 -17.736 -13.437 -3.217 356 HZ2 LYS 44 HZ2 LYS 44 -17.740 -13.137 -1.547 357 HZ3 LYS 44 HZ3 LYS 44 -17.840 -14.732 -2.121 358 H LEU 45 H LEU 45 -13.113 -9.238 -0.622 359 HA LEU 45 HA LEU 45 -12.859 -8.468 2.096 360 HB2 LEU 45 HB3 LEU 45 -12.798 -6.216 1.162 361 HB3 LEU 45 HB2 LEU 45 -11.983 -7.312 0.046 362 HG LEU 45 HG LEU 45 -14.690 -7.385 -0.703 363 HD11 LEU 45 HD11 LEU 45 -14.308 -5.029 0.728 364 HD12 LEU 45 HD12 LEU 45 -15.593 -5.328 -0.442 365 HD13 LEU 45 HD13 LEU 45 -14.104 -4.532 -0.951 366 HD21 LEU 45 HD21 LEU 45 -12.113 -6.780 -1.796 367 HD22 LEU 45 HD22 LEU 45 -13.251 -5.556 -2.356 368 HD23 LEU 45 HD23 LEU 45 -13.575 -7.263 -2.655 369 H SER 46 H SER 46 -14.918 -9.528 2.943 370 HA SER 46 HA SER 46 -17.189 -9.418 3.627 371 HB2 SER 46 HB3 SER 46 -17.607 -7.305 4.670 372 HB3 SER 46 HB2 SER 46 -15.860 -7.520 4.719 373 HG SER 46 HG SER 46 -15.911 -5.620 3.786 374 H HIS 47 H HIS 47 -16.880 -9.511 0.746 375 HA HIS 47 HA HIS 47 -19.073 -7.675 -0.146 376 HB2 HIS 47 HB3 HIS 47 -16.492 -8.352 -1.172 377 HB3 HIS 47 HB2 HIS 47 -17.697 -8.952 -2.309 378 HD1 HIS 47 HD1 HIS 47 -16.680 -6.927 -3.843 379 HD2 HIS 47 HD2 HIS 47 -18.949 -5.792 -0.535 380 HE1 HIS 47 HE1 HIS 47 -17.341 -4.512 -4.223 381 H ASP 48 H ASP 48 -18.996 -10.502 1.129 382 HA ASP 48 HA ASP 48 -19.726 -12.630 -0.394 383 HB2 ASP 48 HB3 ASP 48 -19.921 -11.996 2.181 384 HB3 ASP 48 HB2 ASP 48 -21.625 -11.844 1.758 385 HA PRO 49 HA PRO 49 -22.907 -10.552 -2.850 386 HB2 PRO 49 HB2 PRO 49 -22.554 -12.201 -5.006 387 HB3 PRO 49 HB3 PRO 49 -21.531 -10.784 -4.696 388 HG2 PRO 49 HG3 PRO 49 -20.981 -13.661 -4.196 389 HG3 PRO 49 HG2 PRO 49 -19.885 -12.378 -4.729 390 HD2 PRO 49 HD3 PRO 49 -20.003 -13.330 -2.150 391 HD3 PRO 49 HD2 PRO 49 -19.432 -11.706 -2.585 392 H ILE 50 H ILE 50 -22.365 -14.003 -2.292 393 HA ILE 50 HA ILE 50 -25.047 -14.836 -3.026 394 HB ILE 50 HB ILE 50 -22.722 -16.028 -1.513 395 HG12 ILE 50 HG13 ILE 50 -23.966 -17.104 -4.023 396 HG13 ILE 50 HG12 ILE 50 -22.940 -15.672 -4.126 397 HG21 ILE 50 HG21 ILE 50 -24.088 -17.571 -0.607 398 HG22 ILE 50 HG22 ILE 50 -24.564 -18.060 -2.234 399 HG23 ILE 50 HG23 ILE 50 -25.486 -16.824 -1.380 400 HD11 ILE 50 HD11 ILE 50 -22.172 -18.375 -2.986 401 HD12 ILE 50 HD12 ILE 50 -21.157 -16.935 -2.890 402 HD13 ILE 50 HD13 ILE 50 -21.550 -17.634 -4.462 403 H GLU 51 H GLU 51 -23.427 -14.039 0.031 404 HA GLU 51 HA GLU 51 -25.734 -14.683 1.689 405 HB2 GLU 51 HB3 GLU 51 -23.053 -14.324 2.056 406 HB3 GLU 51 HB2 GLU 51 -23.671 -12.778 2.639 407 HG2 GLU 51 HG3 GLU 51 -25.256 -13.995 4.118 408 HG3 GLU 51 HG2 GLU 51 -24.558 -15.522 3.577 409 H TYR 52 H TYR 52 -24.727 -11.951 -0.199 410 HA TYR 52 HA TYR 52 -26.360 -9.995 1.271 411 HB2 TYR 52 HB3 TYR 52 -24.560 -10.084 -1.124 412 HB3 TYR 52 HB2 TYR 52 -25.673 -8.725 -0.964 413 HD1 TYR 52 HD2 TYR 52 -23.896 -10.674 1.685 414 HD2 TYR 52 HD1 TYR 52 -24.336 -6.897 -0.313 415 HE1 TYR 52 HE2 TYR 52 -22.378 -9.623 3.340 416 HE2 TYR 52 HE1 TYR 52 -22.818 -5.845 1.343 417 HH TYR 52 HH TYR 52 -20.773 -7.062 2.992 418 H LEU 53 H LEU 53 -26.675 -12.101 -1.525 419 HA LEU 53 HA LEU 53 -28.993 -10.787 -2.671 420 HB2 LEU 53 HB3 LEU 53 -27.212 -12.517 -3.591 421 HB3 LEU 53 HB2 LEU 53 -28.367 -13.705 -2.987 422 HG LEU 53 HG LEU 53 -29.720 -11.587 -4.443 423 HD11 LEU 53 HD11 LEU 53 -28.000 -11.264 -5.947 424 HD12 LEU 53 HD12 LEU 53 -28.745 -12.686 -6.678 425 HD13 LEU 53 HD13 LEU 53 -27.313 -12.864 -5.664 426 HD21 LEU 53 HD21 LEU 53 -30.144 -13.891 -5.825 427 HD22 LEU 53 HD22 LEU 53 -31.005 -13.479 -4.342 428 HD23 LEU 53 HD23 LEU 53 -29.603 -14.548 -4.279 429 H LEU 54 H LEU 54 -28.530 -13.579 -0.518 430 HA LEU 54 HA LEU 54 -31.348 -14.209 -0.289 431 HB2 LEU 54 HB3 LEU 54 -28.765 -14.921 1.050 432 HB3 LEU 54 HB2 LEU 54 -30.266 -15.337 1.879 433 HG LEU 54 HG LEU 54 -29.585 -17.210 0.472 434 HD11 LEU 54 HD11 LEU 54 -31.685 -16.382 -1.327 435 HD12 LEU 54 HD12 LEU 54 -32.065 -15.857 0.314 436 HD13 LEU 54 HD13 LEU 54 -31.754 -17.562 -0.017 437 HD21 LEU 54 HD21 LEU 54 -28.203 -16.025 -1.144 438 HD22 LEU 54 HD22 LEU 54 -29.604 -15.136 -1.743 439 HD23 LEU 54 HD23 LEU 54 -29.480 -16.874 -2.015 440 H GLU 55 H GLU 55 -29.169 -11.997 1.340 441 HA GLU 55 HA GLU 55 -30.854 -11.508 3.656 442 HB2 GLU 55 HB3 GLU 55 -28.273 -11.032 2.959 443 HB3 GLU 55 HB2 GLU 55 -28.969 -9.440 2.649 444 HG2 GLU 55 HG3 GLU 55 -28.129 -9.672 4.985 445 HG3 GLU 55 HG2 GLU 55 -29.861 -9.347 4.920 446 H GLN 56 H GLN 56 -30.667 -10.247 0.384 447 HA GLN 56 HA GLN 56 -32.175 -7.821 0.829 448 HB2 GLN 56 HB3 GLN 56 -30.820 -7.999 -1.119 449 HB3 GLN 56 HB2 GLN 56 -31.498 -9.574 -1.540 450 HG2 GLN 56 HG3 GLN 56 -33.724 -8.447 -1.871 451 HG3 GLN 56 HG2 GLN 56 -32.914 -6.896 -1.644 452 HE21 GLN 56 HE22 GLN 56 -30.450 -7.556 -3.030 453 HE22 GLN 56 HE21 GLN 56 -30.817 -7.718 -4.679 454 H ILE 57 H ILE 57 -33.043 -11.184 0.318 455 HA ILE 57 HA ILE 57 -35.884 -10.506 -0.164 456 HB ILE 57 HB ILE 57 -34.077 -12.536 -0.908 457 HG12 ILE 57 HG13 ILE 57 -36.780 -13.293 -1.493 458 HG13 ILE 57 HG12 ILE 57 -36.650 -11.536 -1.594 459 HG21 ILE 57 HG21 ILE 57 -36.212 -13.544 0.978 460 HG22 ILE 57 HG22 ILE 57 -34.474 -13.828 1.068 461 HG23 ILE 57 HG23 ILE 57 -35.424 -14.576 -0.216 462 HD11 ILE 57 HD11 ILE 57 -34.959 -11.636 -3.239 463 HD12 ILE 57 HD12 ILE 57 -36.083 -12.906 -3.718 464 HD13 ILE 57 HD13 ILE 57 -34.589 -13.322 -2.880 465 H GLN 58 H GLN 58 -33.782 -11.729 2.375 466 HA GLN 58 HA GLN 58 -35.957 -12.571 4.135 467 HB2 GLN 58 HB3 GLN 58 -33.214 -12.954 3.898 468 HB3 GLN 58 HB2 GLN 58 -33.358 -11.944 5.338 469 HG2 GLN 58 HG3 GLN 58 -34.463 -13.561 6.531 470 HG3 GLN 58 HG2 GLN 58 -35.283 -14.198 5.105 471 HE21 GLN 58 HE22 GLN 58 -33.095 -15.150 7.355 472 HE22 GLN 58 HE21 GLN 58 -32.131 -16.189 6.421 473 H ASN 59 H ASN 59 -34.189 -9.615 3.511 474 HA ASN 59 HA ASN 59 -35.028 -8.305 6.005 475 HB2 ASN 59 HB3 ASN 59 -32.946 -8.022 4.317 476 HB3 ASN 59 HB2 ASN 59 -34.020 -6.801 3.636 477 HD21 ASN 59 HD22 ASN 59 -34.507 -4.917 4.938 478 HD22 ASN 59 HD21 ASN 59 -33.679 -4.581 6.381 479 H LEU 60 H LEU 60 -35.999 -8.353 2.604 480 HA LEU 60 HA LEU 60 -37.825 -6.148 2.671 481 HB2 LEU 60 HB3 LEU 60 -36.812 -7.924 0.830 482 HB3 LEU 60 HB2 LEU 60 -38.491 -8.450 0.950 483 HG LEU 60 HG LEU 60 -38.957 -5.836 0.796 484 HD11 LEU 60 HD11 LEU 60 -37.059 -5.335 -1.159 485 HD12 LEU 60 HD12 LEU 60 -36.127 -6.149 0.097 486 HD13 LEU 60 HD13 LEU 60 -37.033 -4.685 0.481 487 HD21 LEU 60 HD21 LEU 60 -38.141 -7.127 -1.785 488 HD22 LEU 60 HD22 LEU 60 -39.604 -6.220 -1.404 489 HD23 LEU 60 HD23 LEU 60 -39.421 -7.878 -0.832 490 H HIS 61 H HIS 61 -38.117 -9.507 3.673 491 HA HIS 61 HA HIS 61 -41.028 -9.468 3.909 492 HB2 HIS 61 HB3 HIS 61 -38.977 -11.342 3.822 493 HB3 HIS 61 HB2 HIS 61 -39.531 -11.428 5.494 494 HD1 HIS 61 HD1 HIS 61 -41.904 -12.320 5.927 495 HD2 HIS 61 HD2 HIS 61 -40.967 -12.057 1.873 496 HE1 HIS 61 HE1 HIS 61 -43.741 -13.546 4.687 497 H ARG 62 H ARG 62 -38.306 -8.647 5.956 498 HA ARG 62 HA ARG 62 -39.845 -8.685 8.453 499 HB2 ARG 62 HB3 ARG 62 -37.177 -8.755 7.666 500 HB3 ARG 62 HB2 ARG 62 -37.353 -7.149 8.374 501 HG2 ARG 62 HG3 ARG 62 -38.015 -8.005 10.464 502 HG3 ARG 62 HG2 ARG 62 -38.450 -9.574 9.785 503 HD2 ARG 62 HD3 ARG 62 -35.745 -9.311 9.141 504 HD3 ARG 62 HD2 ARG 62 -35.864 -8.670 10.792 505 HE ARG 62 HE ARG 62 -36.486 -10.831 11.534 506 HH11 ARG 62 HH11 ARG 62 -35.080 -11.513 8.779 507 HH12 ARG 62 HH12 ARG 62 -36.164 -12.741 8.219 508 HH21 ARG 62 HH22 ARG 62 -38.633 -11.991 10.534 509 HH22 ARG 62 HH21 ARG 62 -38.177 -13.012 9.212 510 H VAL 63 H VAL 63 -39.069 -6.368 5.940 511 HA VAL 63 HA VAL 63 -39.734 -4.004 7.527 512 HB VAL 63 HB VAL 63 -39.213 -4.629 4.618 513 HG11 VAL 63 HG11 VAL 63 -40.355 -2.757 4.074 514 HG12 VAL 63 HG12 VAL 63 -39.093 -1.859 4.916 515 HG13 VAL 63 HG13 VAL 63 -40.569 -2.315 5.767 516 HG21 VAL 63 HG21 VAL 63 -37.255 -4.614 6.053 517 HG22 VAL 63 HG22 VAL 63 -37.746 -3.083 6.775 518 HG23 VAL 63 HG23 VAL 63 -37.239 -3.138 5.087 519 H THR 64 H THR 64 -41.506 -6.361 5.707 520 HA THR 64 HA THR 64 -43.802 -4.673 5.082 521 HB THR 64 HB THR 64 -43.180 -7.629 5.082 522 HG1 THR 64 HG1 THR 64 -42.376 -6.827 3.295 523 HG21 THR 64 HG21 THR 64 -45.800 -6.229 4.756 524 HG22 THR 64 HG22 THR 64 -45.454 -7.811 5.454 525 HG23 THR 64 HG23 THR 64 -45.451 -7.600 3.703 526 H LEU 65 H LEU 65 -42.676 -6.288 7.903 527 HA LEU 65 HA LEU 65 -45.321 -6.718 9.106 528 HB2 LEU 65 HB3 LEU 65 -42.724 -7.669 9.429 529 HB3 LEU 65 HB2 LEU 65 -42.978 -6.674 10.863 530 HG LEU 65 HG LEU 65 -43.758 -8.872 11.421 531 HD11 LEU 65 HD11 LEU 65 -45.352 -6.659 11.581 532 HD12 LEU 65 HD12 LEU 65 -45.763 -8.222 12.288 533 HD13 LEU 65 HD13 LEU 65 -46.409 -7.771 10.710 534 HD21 LEU 65 HD21 LEU 65 -43.972 -9.507 8.933 535 HD22 LEU 65 HD22 LEU 65 -45.592 -8.815 9.019 536 HD23 LEU 65 HD23 LEU 65 -45.167 -10.193 10.033 537 H ALA 66 H ALA 66 -42.890 -4.195 9.032 538 HA ALA 66 HA ALA 66 -42.765 -2.115 10.169 539 HB1 ALA 66 HB1 ALA 66 -44.551 -1.628 8.678 540 HB2 ALA 66 HB2 ALA 66 -45.148 -1.111 10.255 541 HB3 ALA 66 HB3 ALA 66 -45.679 -2.648 9.570 542 H GLU 67 H GLU 67 -42.425 -4.103 12.040 543 HA GLU 67 HA GLU 67 -42.682 -4.585 14.341 544 HB2 GLU 67 HB3 GLU 67 -42.795 -1.763 13.821 545 HB3 GLU 67 HB2 GLU 67 -43.874 -2.130 15.169 546 HG2 GLU 67 HG3 GLU 67 -41.824 -1.830 16.256 547 HG3 GLU 67 HG2 GLU 67 -41.870 -3.579 16.034 548 H GLY 68 H GLY 68 -44.673 -5.849 13.130 549 HA2 GLY 68 HA3 GLY 68 -46.683 -6.785 14.209 550 HA3 GLY 68 HA2 GLY 68 -47.090 -5.152 14.740 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 29.345 29.573 0.148 2 H2 ASP 1 H2 ASP 1 29.756 30.682 1.367 3 H3 ASP 1 H3 ASP 1 30.702 29.291 1.125 4 HA ASP 1 HA ASP 1 30.860 30.379 -1.308 5 HB2 ASP 1 HB3 ASP 1 29.450 32.219 0.082 6 HB3 ASP 1 HB2 ASP 1 31.084 32.780 0.438 7 H GLN 2 H GLN 2 31.959 30.794 2.028 8 HA GLN 2 HA GLN 2 34.542 31.668 1.949 9 HB2 GLN 2 HB3 GLN 2 33.388 30.553 3.930 10 HB3 GLN 2 HB2 GLN 2 33.861 28.993 3.237 11 HG2 GLN 2 HG3 GLN 2 35.952 29.207 4.022 12 HG3 GLN 2 HG2 GLN 2 36.115 30.814 3.311 13 HE21 GLN 2 HE22 GLN 2 33.715 29.816 5.779 14 HE22 GLN 2 HE21 GLN 2 34.280 30.868 6.983 15 H ASN 3 H ASN 3 33.480 28.588 0.582 16 HA ASN 3 HA ASN 3 35.556 28.450 -1.357 17 HB2 ASN 3 HB3 ASN 3 36.281 27.763 1.351 18 HB3 ASN 3 HB2 ASN 3 36.441 26.343 0.316 19 HD21 ASN 3 HD22 ASN 3 37.225 27.513 -2.122 20 HD22 ASN 3 HD21 ASN 3 38.724 28.286 -1.923 21 H HIS 4 H HIS 4 34.049 26.146 0.922 22 HA HIS 4 HA HIS 4 33.565 24.108 -1.042 23 HB2 HIS 4 HB3 HIS 4 32.229 24.736 1.613 24 HB3 HIS 4 HB2 HIS 4 32.125 23.192 0.766 25 HD1 HIS 4 HD1 HIS 4 35.416 24.374 0.142 26 HD2 HIS 4 HD2 HIS 4 33.582 22.584 3.430 27 HE1 HIS 4 HE1 HIS 4 37.279 23.442 1.583 28 H ILE 5 H ILE 5 32.170 24.338 -2.748 29 HA ILE 5 HA ILE 5 29.755 26.062 -2.396 30 HB ILE 5 HB ILE 5 31.181 25.048 -4.864 31 HG12 ILE 5 HG13 ILE 5 31.430 27.830 -4.688 32 HG13 ILE 5 HG12 ILE 5 31.711 27.262 -3.042 33 HG21 ILE 5 HG21 ILE 5 28.597 26.141 -4.542 34 HG22 ILE 5 HG22 ILE 5 29.468 25.901 -6.056 35 HG23 ILE 5 HG23 ILE 5 29.590 27.440 -5.204 36 HD11 ILE 5 HD11 ILE 5 33.121 26.255 -5.532 37 HD12 ILE 5 HD12 ILE 5 33.381 25.645 -3.898 38 HD13 ILE 5 HD13 ILE 5 33.823 27.304 -4.300 39 H GLU 6 H GLU 6 30.464 22.990 -2.001 40 HA GLU 6 HA GLU 6 27.887 22.021 -3.184 41 HB2 GLU 6 HB3 GLU 6 30.649 20.781 -3.169 42 HB3 GLU 6 HB2 GLU 6 29.197 19.843 -3.520 43 HG2 GLU 6 HG3 GLU 6 29.072 22.234 -5.069 44 HG3 GLU 6 HG2 GLU 6 30.678 21.537 -5.289 45 H GLN 7 H GLN 7 27.081 20.032 -2.022 46 HA GLN 7 HA GLN 7 28.072 19.840 0.797 47 HB2 GLN 7 HB3 GLN 7 25.740 21.127 -0.114 48 HB3 GLN 7 HB2 GLN 7 25.188 19.592 0.559 49 HG2 GLN 7 HG3 GLN 7 26.843 20.216 2.523 50 HG3 GLN 7 HG2 GLN 7 26.607 21.856 1.919 51 HE21 GLN 7 HE22 GLN 7 23.810 21.280 1.009 52 HE22 GLN 7 HE21 GLN 7 22.875 21.204 2.425 53 HA PRO 8 HA PRO 8 27.350 15.720 -1.237 54 HB2 PRO 8 HB2 PRO 8 29.818 14.688 -0.660 55 HB3 PRO 8 HB3 PRO 8 29.484 15.626 -2.128 56 HG2 PRO 8 HG3 PRO 8 30.796 16.476 0.402 57 HG3 PRO 8 HG2 PRO 8 31.170 16.921 -1.270 58 HD2 PRO 8 HD3 PRO 8 29.794 18.530 0.459 59 HD3 PRO 8 HD2 PRO 8 29.616 18.596 -1.309 60 H PHE 9 H PHE 9 28.326 16.904 1.858 61 HA PHE 9 HA PHE 9 28.096 14.305 3.229 62 HB2 PHE 9 HB3 PHE 9 29.614 16.373 3.733 63 HB3 PHE 9 HB2 PHE 9 28.174 17.033 4.510 64 HD1 PHE 9 HD1 PHE 9 30.533 14.154 4.507 65 HD2 PHE 9 HD2 PHE 9 27.434 16.236 6.631 66 HE1 PHE 9 HE1 PHE 9 30.982 12.773 6.517 67 HE2 PHE 9 HE2 PHE 9 27.883 14.855 8.641 68 HZ PHE 9 HZ PHE 9 29.658 13.124 8.584 69 H TYR 10 H TYR 10 26.075 17.065 2.485 70 HA TYR 10 HA TYR 10 24.066 16.618 4.520 71 HB2 TYR 10 HB3 TYR 10 24.216 18.760 3.533 72 HB3 TYR 10 HB2 TYR 10 24.246 18.100 1.899 73 HD1 TYR 10 HD1 TYR 10 22.090 18.559 4.903 74 HD2 TYR 10 HD2 TYR 10 22.234 17.695 0.698 75 HE1 TYR 10 HE1 TYR 10 19.621 18.764 4.776 76 HE2 TYR 10 HE2 TYR 10 19.766 17.898 0.571 77 HH TYR 10 HH TYR 10 17.906 19.265 3.049 78 H LEU 11 H LEU 11 24.863 14.971 1.619 79 HA LEU 11 HA LEU 11 22.117 13.918 1.217 80 HB2 LEU 11 HB3 LEU 11 24.382 14.502 -0.378 81 HB3 LEU 11 HB2 LEU 11 24.173 12.752 -0.438 82 HG LEU 11 HG LEU 11 21.611 14.090 -0.638 83 HD11 LEU 11 HD11 LEU 11 22.289 14.826 -3.106 84 HD12 LEU 11 HD12 LEU 11 23.864 15.063 -2.349 85 HD13 LEU 11 HD13 LEU 11 22.456 15.937 -1.747 86 HD21 LEU 11 HD21 LEU 11 21.243 12.409 -2.152 87 HD22 LEU 11 HD22 LEU 11 22.704 11.736 -1.427 88 HD23 LEU 11 HD23 LEU 11 22.804 12.639 -2.940 89 H MET 12 H MET 12 25.408 12.633 1.736 90 HA MET 12 HA MET 12 24.680 9.909 2.123 91 HB2 MET 12 HB3 MET 12 26.952 11.709 2.931 92 HB3 MET 12 HB2 MET 12 26.912 10.045 3.515 93 HG2 MET 12 HG3 MET 12 27.183 9.147 1.398 94 HG3 MET 12 HG2 MET 12 26.436 10.532 0.601 95 HE1 MET 12 HE1 MET 12 29.028 10.871 -1.290 96 HE2 MET 12 HE2 MET 12 28.747 12.519 -0.711 97 HE3 MET 12 HE3 MET 12 27.403 11.388 -0.843 98 H GLY 13 H GLY 13 24.110 12.648 4.115 99 HA2 GLY 13 HA3 GLY 13 23.982 11.087 6.616 100 HA3 GLY 13 HA2 GLY 13 23.658 12.815 6.457 101 H ARG 14 H ARG 14 22.113 10.872 4.102 102 HA ARG 14 HA ARG 14 19.682 10.350 5.665 103 HB2 ARG 14 HB3 ARG 14 19.741 12.834 5.190 104 HB3 ARG 14 HB2 ARG 14 19.665 12.444 3.471 105 HG2 ARG 14 HG3 ARG 14 17.587 10.989 4.211 106 HG3 ARG 14 HG2 ARG 14 17.569 12.093 5.586 107 HD2 ARG 14 HD3 ARG 14 16.138 13.028 3.847 108 HD3 ARG 14 HD2 ARG 14 17.612 14.015 3.923 109 HE ARG 14 HE ARG 14 17.833 11.753 2.085 110 HH11 ARG 14 HH22 ARG 14 16.387 14.846 2.442 111 HH12 ARG 14 HH21 ARG 14 16.731 15.348 0.821 112 HH21 ARG 14 HH11 ARG 14 18.483 12.467 0.016 113 HH22 ARG 14 HH12 ARG 14 17.918 14.001 -0.553 114 H ASP 15 H ASP 15 21.510 8.831 3.913 115 HA ASP 15 HA ASP 15 19.824 8.296 1.511 116 HB2 ASP 15 HB3 ASP 15 22.195 8.676 1.147 117 HB3 ASP 15 HB2 ASP 15 22.617 7.484 2.377 118 H LYS 16 H LYS 16 20.542 7.041 4.642 119 HA LYS 16 HA LYS 16 20.339 4.264 4.392 120 HB2 LYS 16 HB3 LYS 16 19.481 6.324 6.392 121 HB3 LYS 16 HB2 LYS 16 18.994 4.650 6.653 122 HG2 LYS 16 HG3 LYS 16 21.790 4.828 5.869 123 HG3 LYS 16 HG2 LYS 16 21.466 5.777 7.320 124 HD2 LYS 16 HD3 LYS 16 20.217 3.083 7.215 125 HD3 LYS 16 HD2 LYS 16 21.972 3.122 7.391 126 HE2 LYS 16 HE3 LYS 16 21.796 4.539 9.371 127 HE3 LYS 16 HE2 LYS 16 20.036 4.655 9.164 128 HZ1 LYS 16 HZ1 LYS 16 19.901 2.240 9.317 129 HZ2 LYS 16 HZ2 LYS 16 20.591 2.892 10.723 130 HZ3 LYS 16 HZ3 LYS 16 21.580 2.144 9.561 131 H ALA 17 H ALA 17 17.464 5.788 5.710 132 HA ALA 17 HA ALA 17 15.560 3.992 4.818 133 HB1 ALA 17 HB1 ALA 17 14.341 5.519 5.939 134 HB2 ALA 17 HB2 ALA 17 14.479 6.628 4.577 135 HB3 ALA 17 HB3 ALA 17 15.689 6.652 5.859 136 H LEU 18 H LEU 18 17.218 6.418 2.906 137 HA LEU 18 HA LEU 18 15.376 6.358 0.653 138 HB2 LEU 18 HB3 LEU 18 17.478 7.915 1.552 139 HB3 LEU 18 HB2 LEU 18 18.187 7.081 0.168 140 HG LEU 18 HG LEU 18 15.608 7.844 -0.661 141 HD11 LEU 18 HD11 LEU 18 15.311 10.090 -0.078 142 HD12 LEU 18 HD12 LEU 18 16.999 10.292 0.393 143 HD13 LEU 18 HD13 LEU 18 15.894 9.396 1.435 144 HD21 LEU 18 HD21 LEU 18 18.335 9.073 -1.177 145 HD22 LEU 18 HD22 LEU 18 16.901 9.367 -2.159 146 HD23 LEU 18 HD23 LEU 18 17.599 7.750 -2.081 147 H ALA 19 H ALA 19 18.159 4.483 1.675 148 HA ALA 19 HA ALA 19 18.712 3.251 -0.893 149 HB1 ALA 19 HB1 ALA 19 19.716 3.306 1.785 150 HB2 ALA 19 HB2 ALA 19 20.507 2.676 0.341 151 HB3 ALA 19 HB3 ALA 19 19.492 1.620 1.322 152 H VAL 20 H VAL 20 16.426 2.644 1.688 153 HA VAL 20 HA VAL 20 15.867 -0.123 0.987 154 HB VAL 20 HB VAL 20 15.494 1.124 3.196 155 HG11 VAL 20 HG11 VAL 20 12.780 1.880 2.396 156 HG12 VAL 20 HG12 VAL 20 14.020 2.821 1.567 157 HG13 VAL 20 HG13 VAL 20 13.969 2.790 3.329 158 HG21 VAL 20 HG21 VAL 20 12.977 0.016 3.187 159 HG22 VAL 20 HG22 VAL 20 14.469 -0.895 3.423 160 HG23 VAL 20 HG23 VAL 20 13.736 -0.804 1.822 161 H GLU 21 H GLU 21 14.798 2.992 -0.186 162 HA GLU 21 HA GLU 21 12.405 1.898 -1.518 163 HB2 GLU 21 HB3 GLU 21 13.518 4.444 -0.750 164 HB3 GLU 21 HB2 GLU 21 13.121 4.483 -2.469 165 HG2 GLU 21 HG3 GLU 21 10.854 4.071 -2.094 166 HG3 GLU 21 HG2 GLU 21 11.147 3.329 -0.521 167 H GLN 22 H GLN 22 15.739 2.062 -2.161 168 HA GLN 22 HA GLN 22 15.433 2.189 -5.108 169 HB2 GLN 22 HB3 GLN 22 17.325 3.093 -3.393 170 HB3 GLN 22 HB2 GLN 22 18.012 1.516 -3.777 171 HG2 GLN 22 HG3 GLN 22 18.902 2.990 -5.418 172 HG3 GLN 22 HG2 GLN 22 17.608 2.116 -6.239 173 HE21 GLN 22 HE22 GLN 22 17.602 4.972 -4.023 174 HE22 GLN 22 HE21 GLN 22 16.699 5.960 -5.067 175 H PHE 23 H PHE 23 16.095 -0.102 -2.521 176 HA PHE 23 HA PHE 23 16.827 -2.312 -4.280 177 HB2 PHE 23 HB3 PHE 23 16.171 -1.885 -1.373 178 HB3 PHE 23 HB2 PHE 23 16.321 -3.526 -2.003 179 HD1 PHE 23 HD1 PHE 23 18.449 -3.679 -3.768 180 HD2 PHE 23 HD2 PHE 23 18.104 -1.069 -0.374 181 HE1 PHE 23 HE1 PHE 23 20.920 -3.500 -3.656 182 HE2 PHE 23 HE2 PHE 23 20.575 -0.889 -0.262 183 HZ PHE 23 HZ PHE 23 21.982 -2.104 -1.903 184 H ILE 24 H ILE 24 13.840 -0.991 -2.994 185 HA ILE 24 HA ILE 24 12.256 -3.401 -3.535 186 HB ILE 24 HB ILE 24 11.800 -0.572 -2.612 187 HG12 ILE 24 HG13 ILE 24 11.061 -1.636 -0.606 188 HG13 ILE 24 HG12 ILE 24 10.887 -3.195 -1.411 189 HG21 ILE 24 HG21 ILE 24 9.616 -2.559 -3.316 190 HG22 ILE 24 HG22 ILE 24 9.959 -1.069 -4.195 191 HG23 ILE 24 HG23 ILE 24 9.377 -0.996 -2.532 192 HD11 ILE 24 HD11 ILE 24 12.986 -2.836 0.061 193 HD12 ILE 24 HD12 ILE 24 13.565 -1.815 -1.256 194 HD13 ILE 24 HD13 ILE 24 13.222 -3.521 -1.547 195 H SER 25 H SER 25 13.249 -0.545 -5.282 196 HA SER 25 HA SER 25 11.149 -0.554 -7.274 197 HB2 SER 25 HB3 SER 25 12.563 1.388 -6.765 198 HB3 SER 25 HB2 SER 25 13.998 0.496 -7.261 199 HG SER 25 HG SER 25 13.335 0.570 -9.335 200 H ARG 26 H ARG 26 14.204 -2.257 -6.903 201 HA ARG 26 HA ARG 26 14.068 -3.325 -9.671 202 HB2 ARG 26 HB3 ARG 26 16.031 -3.158 -7.425 203 HB3 ARG 26 HB2 ARG 26 16.215 -4.498 -8.558 204 HG2 ARG 26 HG3 ARG 26 15.973 -1.593 -9.390 205 HG3 ARG 26 HG2 ARG 26 17.506 -2.450 -9.221 206 HD2 ARG 26 HD3 ARG 26 15.802 -4.098 -10.807 207 HD3 ARG 26 HD2 ARG 26 15.732 -2.455 -11.474 208 HE ARG 26 HE ARG 26 18.443 -3.065 -10.796 209 HH11 ARG 26 HH22 ARG 26 16.013 -3.291 -13.196 210 HH12 ARG 26 HH21 ARG 26 17.061 -3.959 -14.401 211 HH21 ARG 26 HH11 ARG 26 19.792 -4.188 -12.276 212 HH22 ARG 26 HH12 ARG 26 19.201 -4.468 -13.881 213 H PHE 27 H PHE 27 13.473 -4.281 -6.347 214 HA PHE 27 HA PHE 27 13.352 -7.150 -6.905 215 HB2 PHE 27 HB3 PHE 27 13.557 -5.443 -4.695 216 HB3 PHE 27 HB2 PHE 27 11.965 -6.197 -4.525 217 HD1 PHE 27 HD1 PHE 27 15.570 -6.749 -4.677 218 HD2 PHE 27 HD2 PHE 27 11.730 -8.567 -4.241 219 HE1 PHE 27 HE1 PHE 27 16.667 -8.842 -3.891 220 HE2 PHE 27 HE2 PHE 27 12.801 -10.673 -3.454 221 HZ PHE 27 HZ PHE 27 15.275 -10.805 -3.279 222 H ASN 28 H ASN 28 11.296 -4.547 -7.552 223 HA ASN 28 HA ASN 28 8.699 -5.171 -6.985 224 HB2 ASN 28 HB3 ASN 28 9.207 -3.311 -8.371 225 HB3 ASN 28 HB2 ASN 28 10.019 -4.325 -9.563 226 HD21 ASN 28 HD22 ASN 28 8.563 -3.571 -11.283 227 HD22 ASN 28 HD21 ASN 28 6.951 -4.098 -11.354 228 H SER 29 H SER 29 10.722 -6.913 -9.328 229 HA SER 29 HA SER 29 8.930 -8.528 -10.679 230 HB2 SER 29 HB3 SER 29 11.240 -8.778 -11.109 231 HB3 SER 29 HB2 SER 29 11.620 -9.029 -9.408 232 HG SER 29 HG SER 29 10.303 -10.782 -11.207 233 H GLY 30 H GLY 30 9.848 -8.762 -7.268 234 HA2 GLY 30 HA3 GLY 30 8.560 -11.310 -6.807 235 HA3 GLY 30 HA2 GLY 30 9.046 -10.163 -5.558 236 H TYR 31 H TYR 31 7.533 -7.982 -6.769 237 HA TYR 31 HA TYR 31 5.021 -8.342 -5.414 238 HB2 TYR 31 HB3 TYR 31 5.927 -6.150 -5.654 239 HB3 TYR 31 HB2 TYR 31 6.156 -6.355 -7.391 240 HD1 TYR 31 HD1 TYR 31 4.172 -6.436 -8.915 241 HD2 TYR 31 HD2 TYR 31 3.815 -5.470 -4.746 242 HE1 TYR 31 HE1 TYR 31 1.914 -5.498 -9.326 243 HE2 TYR 31 HE2 TYR 31 1.556 -4.532 -5.156 244 HH TYR 31 HH TYR 31 0.327 -4.044 -8.374 245 H ILE 32 H ILE 32 6.102 -9.591 -8.358 246 HA ILE 32 HA ILE 32 3.566 -9.380 -9.826 247 HB ILE 32 HB ILE 32 6.238 -10.731 -10.204 248 HG12 ILE 32 HG13 ILE 32 6.143 -8.336 -10.656 249 HG13 ILE 32 HG12 ILE 32 6.274 -9.202 -12.187 250 HG21 ILE 32 HG21 ILE 32 5.483 -11.597 -12.339 251 HG22 ILE 32 HG22 ILE 32 3.896 -10.859 -12.124 252 HG23 ILE 32 HG23 ILE 32 4.394 -12.197 -11.088 253 HD11 ILE 32 HD11 ILE 32 4.554 -7.610 -12.553 254 HD12 ILE 32 HD12 ILE 32 3.828 -7.912 -10.975 255 HD13 ILE 32 HD13 ILE 32 3.700 -9.122 -12.251 256 H LYS 33 H LYS 33 5.219 -11.724 -7.777 257 HA LYS 33 HA LYS 33 3.366 -13.911 -8.397 258 HB2 LYS 33 HB3 LYS 33 5.909 -13.705 -7.443 259 HB3 LYS 33 HB2 LYS 33 5.022 -13.932 -5.935 260 HG2 LYS 33 HG3 LYS 33 3.992 -15.968 -6.800 261 HG3 LYS 33 HG2 LYS 33 4.765 -15.723 -8.367 262 HD2 LYS 33 HD3 LYS 33 6.667 -16.692 -7.649 263 HD3 LYS 33 HD2 LYS 33 6.735 -15.624 -6.247 264 HE2 LYS 33 HE3 LYS 33 6.428 -17.610 -5.111 265 HE3 LYS 33 HE2 LYS 33 4.721 -17.286 -5.475 266 HZ1 LYS 33 HZ1 LYS 33 6.368 -18.559 -7.536 267 HZ2 LYS 33 HZ2 LYS 33 4.711 -18.733 -7.223 268 HZ3 LYS 33 HZ3 LYS 33 5.848 -19.517 -6.233 269 H ALA 34 H ALA 34 3.296 -11.143 -6.401 270 HA ALA 34 HA ALA 34 1.451 -12.347 -4.405 271 HB1 ALA 34 HB1 ALA 34 2.585 -9.549 -4.723 272 HB2 ALA 34 HB2 ALA 34 3.327 -10.830 -3.766 273 HB3 ALA 34 HB3 ALA 34 1.759 -10.175 -3.297 274 H SER 35 H SER 35 1.369 -10.571 -7.361 275 HA SER 35 HA SER 35 -0.798 -8.878 -7.279 276 HB2 SER 35 HB3 SER 35 0.349 -9.263 -9.331 277 HB3 SER 35 HB2 SER 35 0.034 -10.995 -9.268 278 HG SER 35 HG SER 35 -2.029 -10.651 -9.848 279 H GLN 36 H GLN 36 -0.983 -12.429 -7.483 280 HA GLN 36 HA GLN 36 -3.864 -12.571 -7.490 281 HB2 GLN 36 HB3 GLN 36 -2.061 -14.317 -8.127 282 HB3 GLN 36 HB2 GLN 36 -1.956 -14.646 -6.398 283 HG2 GLN 36 HG3 GLN 36 -3.689 -16.065 -6.691 284 HG3 GLN 36 HG2 GLN 36 -4.695 -14.631 -6.904 285 HE21 GLN 36 HE22 GLN 36 -5.340 -17.029 -8.285 286 HE22 GLN 36 HE21 GLN 36 -5.060 -16.800 -9.945 287 H GLU 37 H GLU 37 -1.437 -12.965 -4.921 288 HA GLU 37 HA GLU 37 -3.277 -13.343 -2.758 289 HB2 GLU 37 HB3 GLU 37 -0.444 -12.283 -2.973 290 HB3 GLU 37 HB2 GLU 37 -1.229 -12.619 -1.431 291 HG2 GLU 37 HG3 GLU 37 -1.473 -14.948 -1.964 292 HG3 GLU 37 HG2 GLU 37 -0.982 -14.676 -3.637 293 H LEU 38 H LEU 38 -2.175 -10.493 -4.467 294 HA LEU 38 HA LEU 38 -2.880 -8.543 -2.445 295 HB2 LEU 38 HB3 LEU 38 -2.078 -8.666 -5.298 296 HB3 LEU 38 HB2 LEU 38 -2.993 -7.230 -4.832 297 HG LEU 38 HG LEU 38 -0.700 -8.160 -3.123 298 HD11 LEU 38 HD11 LEU 38 0.852 -7.617 -4.660 299 HD12 LEU 38 HD12 LEU 38 0.082 -6.055 -4.935 300 HD13 LEU 38 HD13 LEU 38 -0.437 -7.467 -5.854 301 HD21 LEU 38 HD21 LEU 38 -1.372 -6.315 -2.009 302 HD22 LEU 38 HD22 LEU 38 -2.513 -5.903 -3.288 303 HD23 LEU 38 HD23 LEU 38 -0.840 -5.357 -3.390 304 H VAL 39 H VAL 39 -4.634 -10.208 -5.004 305 HA VAL 39 HA VAL 39 -6.941 -8.481 -5.079 306 HB VAL 39 HB VAL 39 -6.341 -11.350 -5.804 307 HG11 VAL 39 HG11 VAL 39 -8.739 -11.146 -5.154 308 HG12 VAL 39 HG12 VAL 39 -8.537 -11.471 -6.875 309 HG13 VAL 39 HG13 VAL 39 -8.920 -9.840 -6.325 310 HG21 VAL 39 HG21 VAL 39 -6.931 -10.204 -8.107 311 HG22 VAL 39 HG22 VAL 39 -5.342 -9.952 -7.383 312 HG23 VAL 39 HG23 VAL 39 -6.589 -8.716 -7.225 313 H SER 40 H SER 40 -5.906 -11.032 -2.919 314 HA SER 40 HA SER 40 -8.541 -11.525 -1.756 315 HB2 SER 40 HB3 SER 40 -6.088 -12.783 -1.852 316 HB3 SER 40 HB2 SER 40 -6.125 -12.173 -0.200 317 HG SER 40 HG SER 40 -7.698 -14.086 -1.455 318 H TYR 41 H TYR 41 -5.859 -9.342 -1.154 319 HA TYR 41 HA TYR 41 -6.728 -8.581 1.534 320 HB2 TYR 41 HB3 TYR 41 -4.388 -8.485 0.856 321 HB3 TYR 41 HB2 TYR 41 -4.787 -7.412 -0.486 322 HD1 TYR 41 HD2 TYR 41 -5.831 -5.134 0.052 323 HD2 TYR 41 HD1 TYR 41 -3.948 -7.615 3.010 324 HE1 TYR 41 HE2 TYR 41 -5.595 -3.171 1.548 325 HE2 TYR 41 HE1 TYR 41 -3.711 -5.651 4.506 326 HH TYR 41 HH TYR 41 -4.290 -3.513 4.836 327 H THR 42 H THR 42 -7.401 -7.555 -1.742 328 HA THR 42 HA THR 42 -8.598 -4.991 -0.879 329 HB THR 42 HB THR 42 -8.829 -6.164 -3.629 330 HG1 THR 42 HG1 THR 42 -6.448 -4.982 -2.683 331 HG21 THR 42 HG21 THR 42 -7.802 -3.594 -3.738 332 HG22 THR 42 HG22 THR 42 -8.854 -3.546 -2.322 333 HG23 THR 42 HG23 THR 42 -9.506 -4.024 -3.890 334 H ILE 43 H ILE 43 -9.572 -8.234 -1.129 335 HA ILE 43 HA ILE 43 -12.121 -8.302 -2.202 336 HB ILE 43 HB ILE 43 -10.675 -10.039 -0.912 337 HG12 ILE 43 HG13 ILE 43 -12.961 -11.155 -0.122 338 HG13 ILE 43 HG12 ILE 43 -13.655 -9.813 -1.031 339 HG21 ILE 43 HG21 ILE 43 -10.621 -8.840 1.231 340 HG22 ILE 43 HG22 ILE 43 -11.409 -10.404 1.422 341 HG23 ILE 43 HG23 ILE 43 -12.379 -8.934 1.340 342 HD11 ILE 43 HD11 ILE 43 -11.445 -11.343 -2.324 343 HD12 ILE 43 HD12 ILE 43 -12.863 -10.587 -3.051 344 HD13 ILE 43 HD13 ILE 43 -13.018 -12.130 -2.212 345 H LYS 44 H LYS 44 -11.233 -7.093 1.018 346 HA LYS 44 HA LYS 44 -13.996 -6.190 1.541 347 HB2 LYS 44 HB3 LYS 44 -12.274 -7.261 3.164 348 HB3 LYS 44 HB2 LYS 44 -11.530 -5.661 3.194 349 HG2 LYS 44 HG3 LYS 44 -14.371 -5.374 3.519 350 HG3 LYS 44 HG2 LYS 44 -13.776 -6.555 4.687 351 HD2 LYS 44 HD3 LYS 44 -11.838 -4.688 4.922 352 HD3 LYS 44 HD2 LYS 44 -13.190 -3.649 4.468 353 HE2 LYS 44 HE3 LYS 44 -14.079 -3.830 6.543 354 HE3 LYS 44 HE2 LYS 44 -14.040 -5.602 6.444 355 HZ1 LYS 44 HZ1 LYS 44 -11.823 -5.663 7.149 356 HZ2 LYS 44 HZ2 LYS 44 -12.549 -4.529 8.179 357 HZ3 LYS 44 HZ3 LYS 44 -11.588 -4.002 6.881 358 H LEU 45 H LEU 45 -12.088 -5.005 -0.564 359 HA LEU 45 HA LEU 45 -12.646 -2.165 0.121 360 HB2 LEU 45 HB3 LEU 45 -10.258 -3.181 0.767 361 HB3 LEU 45 HB2 LEU 45 -9.935 -2.856 -0.937 362 HG LEU 45 HG LEU 45 -11.231 -0.554 -0.087 363 HD11 LEU 45 HD11 LEU 45 -10.969 -1.392 2.264 364 HD12 LEU 45 HD12 LEU 45 -10.126 0.129 1.969 365 HD13 LEU 45 HD13 LEU 45 -9.221 -1.384 2.028 366 HD21 LEU 45 HD21 LEU 45 -8.403 -1.376 -0.624 367 HD22 LEU 45 HD22 LEU 45 -8.688 0.234 0.039 368 HD23 LEU 45 HD23 LEU 45 -9.421 -0.230 -1.496 369 H SER 46 H SER 46 -13.922 -1.683 -1.658 370 HA SER 46 HA SER 46 -12.741 -1.591 -4.296 371 HB2 SER 46 HB3 SER 46 -13.579 -4.066 -3.584 372 HB3 SER 46 HB2 SER 46 -15.090 -3.417 -4.213 373 HG SER 46 HG SER 46 -13.357 -4.463 -5.670 374 H HIS 47 H HIS 47 -13.758 0.091 -5.290 375 HA HIS 47 HA HIS 47 -16.245 1.175 -4.115 376 HB2 HIS 47 HB3 HIS 47 -13.977 2.259 -5.222 377 HB3 HIS 47 HB2 HIS 47 -15.112 2.379 -6.563 378 HD1 HIS 47 HD1 HIS 47 -15.075 5.019 -6.146 379 HD2 HIS 47 HD2 HIS 47 -16.733 2.756 -3.063 380 HE1 HIS 47 HE1 HIS 47 -16.354 6.638 -4.676 381 H ASP 48 H ASP 48 -15.893 -1.345 -5.884 382 HA ASP 48 HA ASP 48 -18.058 -0.669 -7.858 383 HB2 ASP 48 HB3 ASP 48 -15.608 -1.265 -8.553 384 HB3 ASP 48 HB2 ASP 48 -16.086 -2.915 -8.157 385 HA PRO 49 HA PRO 49 -19.137 -4.216 -4.890 386 HB2 PRO 49 HB2 PRO 49 -20.935 -2.890 -3.308 387 HB3 PRO 49 HB3 PRO 49 -19.207 -3.006 -2.919 388 HG2 PRO 49 HG3 PRO 49 -20.727 -0.757 -4.139 389 HG3 PRO 49 HG2 PRO 49 -19.410 -0.719 -2.956 390 HD2 PRO 49 HD3 PRO 49 -19.057 -0.190 -5.608 391 HD3 PRO 49 HD2 PRO 49 -17.784 -0.862 -4.566 392 H ILE 50 H ILE 50 -21.066 -1.599 -6.294 393 HA ILE 50 HA ILE 50 -23.557 -3.009 -6.480 394 HB ILE 50 HB ILE 50 -22.248 -0.686 -7.891 395 HG12 ILE 50 HG13 ILE 50 -23.996 0.574 -6.695 396 HG13 ILE 50 HG12 ILE 50 -24.661 -0.935 -6.066 397 HG21 ILE 50 HG21 ILE 50 -24.434 -0.250 -8.992 398 HG22 ILE 50 HG22 ILE 50 -25.026 -1.800 -8.394 399 HG23 ILE 50 HG23 ILE 50 -23.701 -1.751 -9.558 400 HD11 ILE 50 HD11 ILE 50 -22.648 -1.383 -4.813 401 HD12 ILE 50 HD12 ILE 50 -23.135 0.273 -4.457 402 HD13 ILE 50 HD13 ILE 50 -21.811 -0.034 -5.580 403 H GLU 51 H GLU 51 -20.638 -3.074 -8.422 404 HA GLU 51 HA GLU 51 -21.930 -4.460 -10.677 405 HB2 GLU 51 HB3 GLU 51 -20.185 -3.014 -11.297 406 HB3 GLU 51 HB2 GLU 51 -19.189 -3.473 -9.917 407 HG2 GLU 51 HG3 GLU 51 -18.308 -4.424 -12.028 408 HG3 GLU 51 HG2 GLU 51 -18.810 -5.687 -10.903 409 H TYR 52 H TYR 52 -20.186 -5.252 -7.747 410 HA TYR 52 HA TYR 52 -19.729 -8.052 -8.602 411 HB2 TYR 52 HB3 TYR 52 -17.905 -7.274 -7.405 412 HB3 TYR 52 HB2 TYR 52 -18.885 -6.190 -6.422 413 HD1 TYR 52 HD2 TYR 52 -20.422 -7.225 -4.655 414 HD2 TYR 52 HD1 TYR 52 -17.262 -9.397 -6.586 415 HE1 TYR 52 HE2 TYR 52 -20.454 -8.899 -2.822 416 HE2 TYR 52 HE1 TYR 52 -17.291 -11.072 -4.756 417 HH TYR 52 HH TYR 52 -19.562 -11.681 -2.862 418 H LEU 53 H LEU 53 -22.057 -6.172 -6.838 419 HA LEU 53 HA LEU 53 -23.075 -8.383 -5.213 420 HB2 LEU 53 HB3 LEU 53 -23.150 -5.678 -5.077 421 HB3 LEU 53 HB2 LEU 53 -24.721 -5.982 -5.816 422 HG LEU 53 HG LEU 53 -24.573 -7.905 -3.820 423 HD11 LEU 53 HD11 LEU 53 -24.024 -6.507 -1.789 424 HD12 LEU 53 HD12 LEU 53 -23.351 -5.296 -2.882 425 HD13 LEU 53 HD13 LEU 53 -22.630 -6.902 -2.795 426 HD21 LEU 53 HD21 LEU 53 -26.635 -6.955 -3.814 427 HD22 LEU 53 HD22 LEU 53 -26.012 -5.406 -4.380 428 HD23 LEU 53 HD23 LEU 53 -25.952 -5.805 -2.664 429 H LEU 54 H LEU 54 -23.883 -6.860 -8.300 430 HA LEU 54 HA LEU 54 -26.417 -8.182 -8.685 431 HB2 LEU 54 HB3 LEU 54 -25.336 -6.109 -9.820 432 HB3 LEU 54 HB2 LEU 54 -24.523 -7.282 -10.857 433 HG LEU 54 HG LEU 54 -27.261 -8.043 -10.707 434 HD11 LEU 54 HD11 LEU 54 -28.502 -6.152 -10.920 435 HD12 LEU 54 HD12 LEU 54 -27.288 -5.364 -11.930 436 HD13 LEU 54 HD13 LEU 54 -27.120 -5.348 -10.174 437 HD21 LEU 54 HD21 LEU 54 -25.217 -7.312 -12.679 438 HD22 LEU 54 HD22 LEU 54 -26.850 -6.897 -13.199 439 HD23 LEU 54 HD23 LEU 54 -26.459 -8.561 -12.763 440 H GLU 55 H GLU 55 -23.071 -9.048 -9.413 441 HA GLU 55 HA GLU 55 -23.753 -11.365 -11.048 442 HB2 GLU 55 HB3 GLU 55 -21.586 -9.816 -10.781 443 HB3 GLU 55 HB2 GLU 55 -21.143 -11.066 -9.617 444 HG2 GLU 55 HG3 GLU 55 -22.179 -11.949 -12.276 445 HG3 GLU 55 HG2 GLU 55 -20.538 -11.307 -12.205 446 H GLN 56 H GLN 56 -23.278 -10.733 -7.635 447 HA GLN 56 HA GLN 56 -22.964 -13.556 -6.899 448 HB2 GLN 56 HB3 GLN 56 -21.980 -11.562 -5.705 449 HB3 GLN 56 HB2 GLN 56 -23.615 -11.121 -5.210 450 HG2 GLN 56 HG3 GLN 56 -23.433 -13.817 -4.544 451 HG3 GLN 56 HG2 GLN 56 -21.844 -13.174 -4.124 452 HE21 GLN 56 HE22 GLN 56 -23.044 -13.818 -1.881 453 HE22 GLN 56 HE21 GLN 56 -23.818 -12.517 -1.113 454 H ILE 57 H ILE 57 -25.594 -11.387 -7.511 455 HA ILE 57 HA ILE 57 -27.529 -12.926 -5.902 456 HB ILE 57 HB ILE 57 -27.231 -10.302 -6.869 457 HG12 ILE 57 HG13 ILE 57 -29.707 -10.261 -5.829 458 HG13 ILE 57 HG12 ILE 57 -29.207 -11.861 -5.279 459 HG21 ILE 57 HG21 ILE 57 -29.490 -9.995 -7.989 460 HG22 ILE 57 HG22 ILE 57 -29.525 -11.745 -8.203 461 HG23 ILE 57 HG23 ILE 57 -28.262 -10.789 -8.975 462 HD11 ILE 57 HD11 ILE 57 -28.315 -10.664 -3.543 463 HD12 ILE 57 HD12 ILE 57 -28.184 -9.186 -4.495 464 HD13 ILE 57 HD13 ILE 57 -26.977 -10.459 -4.672 465 H GLN 58 H GLN 58 -26.482 -12.627 -9.245 466 HA GLN 58 HA GLN 58 -28.732 -14.154 -10.336 467 HB2 GLN 58 HB3 GLN 58 -26.769 -12.413 -11.260 468 HB3 GLN 58 HB2 GLN 58 -26.273 -13.973 -11.920 469 HG2 GLN 58 HG3 GLN 58 -27.835 -12.739 -13.431 470 HG3 GLN 58 HG2 GLN 58 -28.476 -14.299 -12.914 471 HE21 GLN 58 HE22 GLN 58 -30.721 -13.642 -13.091 472 HE22 GLN 58 HE21 GLN 58 -31.408 -12.507 -12.032 473 H ASN 59 H ASN 59 -25.547 -14.839 -9.052 474 HA ASN 59 HA ASN 59 -25.437 -17.555 -10.184 475 HB2 ASN 59 HB3 ASN 59 -23.628 -15.665 -9.302 476 HB3 ASN 59 HB2 ASN 59 -23.643 -16.820 -7.969 477 HD21 ASN 59 HD22 ASN 59 -24.273 -19.150 -9.687 478 HD22 ASN 59 HD21 ASN 59 -22.865 -19.483 -10.576 479 H LEU 60 H LEU 60 -26.406 -15.985 -7.194 480 HA LEU 60 HA LEU 60 -26.433 -18.375 -5.548 481 HB2 LEU 60 HB3 LEU 60 -26.646 -15.639 -5.219 482 HB3 LEU 60 HB2 LEU 60 -28.288 -16.190 -4.885 483 HG LEU 60 HG LEU 60 -26.982 -16.198 -2.816 484 HD11 LEU 60 HD11 LEU 60 -28.643 -18.085 -3.452 485 HD12 LEU 60 HD12 LEU 60 -27.550 -18.374 -2.098 486 HD13 LEU 60 HD13 LEU 60 -27.205 -19.080 -3.677 487 HD21 LEU 60 HD21 LEU 60 -24.753 -16.535 -3.102 488 HD22 LEU 60 HD22 LEU 60 -24.996 -17.419 -4.609 489 HD23 LEU 60 HD23 LEU 60 -25.152 -18.253 -3.062 490 H HIS 61 H HIS 61 -28.687 -16.876 -7.783 491 HA HIS 61 HA HIS 61 -31.078 -18.224 -6.896 492 HB2 HIS 61 HB3 HIS 61 -30.390 -16.229 -8.651 493 HB3 HIS 61 HB2 HIS 61 -30.785 -17.545 -9.757 494 HD1 HIS 61 HD1 HIS 61 -32.310 -15.770 -6.744 495 HD2 HIS 61 HD2 HIS 61 -33.507 -17.890 -10.128 496 HE1 HIS 61 HE1 HIS 61 -34.839 -15.657 -6.803 497 H ARG 62 H ARG 62 -28.424 -19.109 -9.030 498 HA ARG 62 HA ARG 62 -29.812 -21.473 -10.103 499 HB2 ARG 62 HB3 ARG 62 -27.732 -19.796 -10.867 500 HB3 ARG 62 HB2 ARG 62 -26.901 -21.281 -10.407 501 HG2 ARG 62 HG3 ARG 62 -29.190 -22.070 -11.874 502 HG3 ARG 62 HG2 ARG 62 -28.449 -20.750 -12.777 503 HD2 ARG 62 HD3 ARG 62 -26.487 -21.930 -13.162 504 HD3 ARG 62 HD2 ARG 62 -26.662 -22.900 -11.685 505 HE ARG 62 HE ARG 62 -28.838 -23.707 -13.100 506 HH11 ARG 62 HH11 ARG 62 -27.008 -22.595 -15.406 507 HH12 ARG 62 HH12 ARG 62 -26.369 -24.090 -16.005 508 HH21 ARG 62 HH22 ARG 62 -27.383 -25.934 -13.249 509 HH22 ARG 62 HH21 ARG 62 -26.581 -25.979 -14.783 510 H VAL 63 H VAL 63 -27.610 -20.701 -7.485 511 HA VAL 63 HA VAL 63 -26.555 -23.322 -6.996 512 HB VAL 63 HB VAL 63 -27.032 -20.833 -5.352 513 HG11 VAL 63 HG11 VAL 63 -25.773 -21.826 -3.535 514 HG12 VAL 63 HG12 VAL 63 -25.509 -23.300 -4.465 515 HG13 VAL 63 HG13 VAL 63 -27.130 -22.890 -3.902 516 HG21 VAL 63 HG21 VAL 63 -25.277 -20.530 -6.917 517 HG22 VAL 63 HG22 VAL 63 -24.669 -22.169 -6.677 518 HG23 VAL 63 HG23 VAL 63 -24.451 -20.955 -5.417 519 H THR 64 H THR 64 -29.639 -21.835 -6.259 520 HA THR 64 HA THR 64 -30.464 -23.579 -4.128 521 HB THR 64 HB THR 64 -31.852 -21.870 -6.196 522 HG1 THR 64 HG1 THR 64 -31.944 -21.560 -3.417 523 HG21 THR 64 HG21 THR 64 -33.950 -22.239 -4.990 524 HG22 THR 64 HG22 THR 64 -33.144 -23.362 -3.896 525 HG23 THR 64 HG23 THR 64 -33.331 -23.773 -5.601 526 H LEU 65 H LEU 65 -30.481 -23.885 -7.634 527 HA LEU 65 HA LEU 65 -32.150 -26.327 -7.553 528 HB2 LEU 65 HB3 LEU 65 -31.659 -24.258 -9.350 529 HB3 LEU 65 HB2 LEU 65 -30.800 -25.628 -10.056 530 HG LEU 65 HG LEU 65 -33.722 -25.533 -9.255 531 HD11 LEU 65 HD11 LEU 65 -33.906 -24.781 -11.381 532 HD12 LEU 65 HD12 LEU 65 -33.460 -26.412 -11.877 533 HD13 LEU 65 HD13 LEU 65 -32.223 -25.163 -11.743 534 HD21 LEU 65 HD21 LEU 65 -33.582 -27.888 -10.417 535 HD22 LEU 65 HD22 LEU 65 -33.122 -27.733 -8.721 536 HD23 LEU 65 HD23 LEU 65 -31.878 -27.802 -9.970 537 H ALA 66 H ALA 66 -28.772 -25.409 -7.747 538 HA ALA 66 HA ALA 66 -27.747 -27.959 -7.070 539 HB1 ALA 66 HB1 ALA 66 -28.433 -27.486 -9.929 540 HB2 ALA 66 HB2 ALA 66 -28.400 -28.997 -9.019 541 HB3 ALA 66 HB3 ALA 66 -26.897 -28.294 -9.615 542 H GLU 67 H GLU 67 -25.663 -27.544 -6.431 543 HA GLU 67 HA GLU 67 -24.321 -25.105 -7.520 544 HB2 GLU 67 HB3 GLU 67 -24.855 -25.505 -5.036 545 HB3 GLU 67 HB2 GLU 67 -23.594 -26.738 -5.078 546 HG2 GLU 67 HG3 GLU 67 -22.186 -24.787 -6.198 547 HG3 GLU 67 HG2 GLU 67 -23.347 -23.766 -5.348 548 H GLY 68 H GLY 68 -24.318 -27.601 -9.039 549 HA2 GLY 68 HA3 GLY 68 -22.828 -29.161 -9.994 550 HA3 GLY 68 HA2 GLY 68 -21.706 -27.802 -9.929
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