NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577124 | 2mj9 | 19712 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 63.433 15.183 14.004 2 H2 HIS 1 H2 HIS 1 63.884 13.819 13.066 3 H3 HIS 1 H3 HIS 1 62.368 14.582 12.806 4 HA HIS 1 HA HIS 1 63.443 16.549 12.059 5 HB2 HIS 1 HB3 HIS 1 65.634 15.372 13.421 6 HB3 HIS 1 HB2 HIS 1 66.100 15.506 11.729 7 HD1 HIS 1 HD1 HIS 1 67.547 17.517 11.619 8 HD2 HIS 1 HD2 HIS 1 64.142 18.172 13.911 9 HE1 HIS 1 HE1 HIS 1 67.610 19.953 12.237 10 HE2 HIS 1 HE2 HIS 1 65.495 20.346 13.550 11 H GLY 2 H GLY 2 63.768 16.808 9.843 12 HA2 GLY 2 HA3 GLY 2 64.147 14.349 8.271 13 HA3 GLY 2 HA2 GLY 2 62.747 15.365 7.963 14 H GLU 3 H GLU 3 64.689 14.715 6.030 15 HA GLU 3 HA GLU 3 65.893 17.364 5.563 16 HB2 GLU 3 HB3 GLU 3 67.083 14.696 5.478 17 HB3 GLU 3 HB2 GLU 3 67.355 15.609 4.001 18 HG2 GLU 3 HG3 GLU 3 69.119 16.432 5.090 19 HG3 GLU 3 HG2 GLU 3 67.937 17.473 5.881 20 H GLY 4 H GLY 4 63.252 16.370 4.790 21 HA2 GLY 4 HA3 GLY 4 61.974 16.921 2.908 22 HA3 GLY 4 HA2 GLY 4 63.448 17.003 1.958 23 H THR 5 H THR 5 64.416 15.013 1.242 24 HA THR 5 HA THR 5 64.337 12.973 0.240 25 HB THR 5 HB THR 5 62.240 11.894 2.022 26 HG1 THR 5 HG1 THR 5 63.063 13.038 3.623 27 HG21 THR 5 HG21 THR 5 63.324 10.120 1.182 28 HG22 THR 5 HG22 THR 5 64.443 10.437 2.508 29 HG23 THR 5 HG23 THR 5 64.807 11.027 0.886 30 H PHE 6 H PHE 6 62.377 11.146 -0.257 31 HA PHE 6 HA PHE 6 60.083 12.595 -1.334 32 HB2 PHE 6 HB3 PHE 6 60.489 11.183 -3.512 33 HB3 PHE 6 HB2 PHE 6 61.313 12.720 -3.286 34 HD1 PHE 6 HD2 PHE 6 62.031 9.329 -1.912 35 HD2 PHE 6 HD1 PHE 6 63.354 12.563 -4.342 36 HE1 PHE 6 HE2 PHE 6 64.198 8.207 -2.220 37 HE2 PHE 6 HE1 PHE 6 65.522 11.445 -4.654 38 HZ PHE 6 HZ PHE 6 65.947 9.265 -3.592 39 H THR 7 H THR 7 59.687 11.110 0.750 40 HA THR 7 HA THR 7 58.340 8.739 -0.301 41 HB THR 7 HB THR 7 60.277 7.693 0.514 42 HG1 THR 7 HG1 THR 7 59.556 6.678 2.471 43 HG21 THR 7 HG21 THR 7 60.512 8.492 3.217 44 HG22 THR 7 HG22 THR 7 60.521 9.940 2.212 45 HG23 THR 7 HG23 THR 7 61.687 8.652 1.912 46 H SER 8 H SER 8 56.480 8.163 0.791 47 HA SER 8 HA SER 8 55.668 9.017 3.309 48 HB2 SER 8 HB3 SER 8 55.620 11.151 1.470 49 HB3 SER 8 HB2 SER 8 53.938 10.662 1.681 50 HG SER 8 HG SER 8 55.760 11.268 3.774 51 H ASP 9 H ASP 9 54.698 8.287 0.010 52 HA ASP 9 HA ASP 9 52.259 6.983 0.991 53 HB2 ASP 9 HB3 ASP 9 53.176 7.756 -1.785 54 HB3 ASP 9 HB2 ASP 9 51.747 6.771 -1.489 55 H LEU 10 H LEU 10 54.874 5.902 1.488 56 HA LEU 10 HA LEU 10 54.492 3.364 0.093 57 HB2 LEU 10 HB3 LEU 10 56.925 2.927 0.499 58 HB3 LEU 10 HB2 LEU 10 56.547 4.132 -0.715 59 HG LEU 10 HG LEU 10 57.261 5.915 0.666 60 HD11 LEU 10 HD11 LEU 10 56.302 5.414 2.766 61 HD12 LEU 10 HD12 LEU 10 58.044 5.471 3.024 62 HD13 LEU 10 HD13 LEU 10 57.220 3.915 2.912 63 HD21 LEU 10 HD21 LEU 10 59.547 4.936 1.525 64 HD22 LEU 10 HD22 LEU 10 59.202 5.071 -0.200 65 HD23 LEU 10 HD23 LEU 10 59.022 3.517 0.619 66 H SER 11 H SER 11 53.765 4.762 2.747 67 HA SER 11 HA SER 11 54.474 2.502 4.455 68 HB2 SER 11 HB3 SER 11 55.526 4.448 5.362 69 HB3 SER 11 HB2 SER 11 54.071 5.409 5.104 70 H LYS 12 H LYS 12 52.027 4.591 3.240 71 HA LYS 12 HA LYS 12 49.962 3.019 4.619 72 HB2 LYS 12 HB3 LYS 12 50.267 5.936 4.107 73 HB3 LYS 12 HB2 LYS 12 48.667 5.229 4.200 74 HG2 LYS 12 HG3 LYS 12 48.791 4.934 6.423 75 HG3 LYS 12 HG2 LYS 12 50.480 4.424 6.318 76 HD2 LYS 12 HD3 LYS 12 50.371 6.477 7.574 77 HD3 LYS 12 HD2 LYS 12 51.138 6.793 6.015 78 HE2 LYS 12 HE2 LYS 12 48.928 7.571 5.167 79 HE3 LYS 12 HE3 LYS 12 48.286 7.392 6.798 80 HZ1 LYS 12 HZ1 LYS 12 50.242 9.342 5.781 81 HZ2 LYS 12 HZ2 LYS 12 50.255 8.924 7.419 82 HZ3 LYS 12 HZ3 LYS 12 48.867 9.602 6.733 83 H GLN 13 H GLN 13 51.251 4.097 1.699 84 HA GLN 13 HA GLN 13 48.789 3.348 0.280 85 HB2 GLN 13 HB3 GLN 13 49.333 5.704 0.024 86 HB3 GLN 13 HB2 GLN 13 50.932 5.277 -0.558 87 HG2 GLN 13 HG3 GLN 13 49.437 5.907 -2.383 88 HG3 GLN 13 HG2 GLN 13 49.976 4.234 -2.522 89 HE21 GLN 13 HE21 GLN 13 48.444 2.917 -3.158 90 HE22 GLN 13 HE22 GLN 13 46.755 3.046 -2.782 91 H MET 14 H MET 14 52.329 3.102 0.299 92 HA MET 14 HA MET 14 52.011 1.039 -1.796 93 HB2 MET 14 HB3 MET 14 53.889 1.761 -2.743 94 HB3 MET 14 HB2 MET 14 53.960 3.064 -1.574 95 HG2 MET 14 HG3 MET 14 55.339 1.781 -0.121 96 HG3 MET 14 HG2 MET 14 55.106 0.326 -1.104 97 HE1 MET 14 HE1 MET 14 55.613 0.542 -3.803 98 HE2 MET 14 HE2 MET 14 56.836 -0.387 -2.935 99 HE3 MET 14 HE3 MET 14 57.325 0.805 -4.142 100 H GLU 15 H GLU 15 52.540 1.626 1.479 101 HA GLU 15 HA GLU 15 53.643 -1.019 1.939 102 HB2 GLU 15 HB3 GLU 15 53.664 1.437 3.395 103 HB3 GLU 15 HB2 GLU 15 52.934 0.190 4.394 104 HG2 GLU 15 HG3 GLU 15 54.899 -1.234 4.002 105 HG3 GLU 15 HG2 GLU 15 55.637 0.068 3.070 106 H GLU 16 H GLU 16 50.681 0.930 2.175 107 HA GLU 16 HA GLU 16 49.084 -0.770 3.700 108 HB2 GLU 16 HB3 GLU 16 48.668 1.374 1.875 109 HB3 GLU 16 HB2 GLU 16 47.560 0.083 1.438 110 HG2 GLU 16 HG3 GLU 16 46.793 0.011 3.790 111 HG3 GLU 16 HG2 GLU 16 47.819 1.403 4.126 112 H GLU 17 H GLU 17 50.188 -0.978 0.407 113 HA GLU 17 HA GLU 17 48.837 -3.497 -0.115 114 HB2 GLU 17 HB3 GLU 17 49.303 -3.123 -2.326 115 HB3 GLU 17 HB2 GLU 17 49.296 -1.464 -1.759 116 HG2 GLU 17 HG3 GLU 17 51.791 -1.735 -1.431 117 HG3 GLU 17 HG2 GLU 17 51.649 -3.207 -2.365 118 H DAL 18 H ALA 18 51.995 -2.115 0.498 119 HA DAL 18 HA ALA 18 53.941 -3.033 1.233 120 HB1 DAL 18 HB1 ALA 18 54.383 -5.323 -0.133 121 HB2 DAL 18 HB2 ALA 18 54.675 -3.711 -0.786 122 HB3 DAL 18 HB3 ALA 18 53.173 -4.557 -1.164 123 H VAL 19 H VAL 19 51.627 -3.630 2.717 124 HA VAL 19 HA VAL 19 52.558 -5.798 4.314 125 HB VAL 19 HB VAL 19 49.913 -4.325 4.383 126 HG11 VAL 19 HG11 VAL 19 51.180 -6.212 6.360 127 HG12 VAL 19 HG12 VAL 19 49.659 -6.433 5.496 128 HG13 VAL 19 HG13 VAL 19 49.803 -5.173 6.721 129 HG21 VAL 19 HG21 VAL 19 52.335 -3.256 4.855 130 HG22 VAL 19 HG22 VAL 19 51.962 -3.899 6.454 131 HG23 VAL 19 HG23 VAL 19 50.865 -2.749 5.688 132 H ARG 20 H ARG 20 50.125 -5.367 1.822 133 HA ARG 20 HA ARG 20 48.783 -7.831 2.186 134 HB2 ARG 20 HB3 ARG 20 49.080 -6.142 -0.309 135 HB3 ARG 20 HB2 ARG 20 47.960 -7.483 -0.128 136 HG2 ARG 20 HG3 ARG 20 47.802 -5.343 1.903 137 HG3 ARG 20 HG2 ARG 20 47.269 -4.939 0.269 138 HD2 ARG 20 HD3 ARG 20 45.859 -7.037 0.352 139 HD3 ARG 20 HD2 ARG 20 46.236 -7.118 2.072 140 HE ARG 20 HE ARG 20 45.205 -4.566 1.354 141 HH11 ARG 20 HH11 ARG 20 44.258 -7.860 2.009 142 HH12 ARG 20 HH12 ARG 20 42.659 -7.429 2.518 143 HH21 ARG 20 HH21 ARG 20 43.104 -3.998 2.023 144 HH22 ARG 20 HH22 ARG 20 42.006 -5.237 2.526 145 H LEU 21 H LEU 21 51.604 -6.825 0.317 146 HA LEU 21 HA LEU 21 51.938 -9.521 -0.754 147 HB2 LEU 21 HB3 LEU 21 53.822 -7.202 -1.051 148 HB3 LEU 21 HB2 LEU 21 53.699 -8.627 -2.069 149 HG LEU 21 HG LEU 21 51.584 -6.503 -1.812 150 HD11 LEU 21 HD11 LEU 21 53.943 -6.139 -3.025 151 HD12 LEU 21 HD12 LEU 21 52.437 -5.441 -3.623 152 HD13 LEU 21 HD13 LEU 21 53.061 -6.930 -4.333 153 HD21 LEU 21 HD21 LEU 21 51.600 -8.335 -4.108 154 HD22 LEU 21 HD22 LEU 21 50.254 -7.727 -3.145 155 HD23 LEU 21 HD23 LEU 21 51.220 -9.081 -2.555 156 H TYR 22 H TYR 22 53.192 -7.461 1.746 157 HA TYR 22 HA TYR 22 55.535 -8.948 2.338 158 HB2 TYR 22 HB3 TYR 22 55.482 -6.778 3.225 159 HB3 TYR 22 HB2 TYR 22 53.836 -6.946 3.786 160 HD1 TYR 22 HD1 TYR 22 56.805 -9.113 4.344 161 HD2 TYR 22 HD2 TYR 22 53.863 -6.551 6.017 162 HE1 TYR 22 HE1 TYR 22 57.610 -9.672 6.595 163 HE2 TYR 22 HE2 TYR 22 54.645 -7.091 8.267 164 HH TYR 22 HH TYR 22 57.074 -7.966 9.221 165 H ILE 23 H ILE 23 52.266 -8.805 3.607 166 HA ILE 23 HA ILE 23 52.563 -10.963 5.410 167 HB ILE 23 HB ILE 23 50.080 -9.847 4.083 168 HG12 ILE 23 HG12 ILE 23 51.457 -8.339 5.607 169 HG13 ILE 23 HG13 ILE 23 49.767 -8.551 6.045 170 HG21 ILE 23 HG21 ILE 23 49.183 -10.978 6.340 171 HG22 ILE 23 HG22 ILE 23 50.513 -12.071 5.960 172 HG23 ILE 23 HG23 ILE 23 49.226 -11.807 4.784 173 HD11 ILE 23 HD11 ILE 23 52.169 -9.822 7.326 174 HD12 ILE 23 HD12 ILE 23 50.505 -10.282 7.689 175 HD13 ILE 23 HD13 ILE 23 51.065 -8.644 8.031 176 H GLN 24 H GLN 24 51.938 -10.611 1.990 177 HA GLN 24 HA GLN 24 51.033 -13.264 1.469 178 HB2 GLN 24 HB3 GLN 24 50.895 -11.289 -0.115 179 HB3 GLN 24 HB2 GLN 24 52.612 -11.489 -0.402 180 HG2 GLN 24 HG3 GLN 24 51.471 -12.547 -2.180 181 HG3 GLN 24 HG2 GLN 24 52.137 -13.817 -1.153 182 HE21 GLN 24 HE21 GLN 24 50.795 -15.246 -0.201 183 HE22 GLN 24 HE22 GLN 24 49.078 -15.251 -0.396 184 H TRP 25 H TRP 25 54.159 -11.633 1.370 185 HA TRP 25 HA TRP 25 55.835 -13.762 0.688 186 HB2 TRP 25 HB3 TRP 25 56.708 -11.513 0.778 187 HB3 TRP 25 HB2 TRP 25 56.259 -11.353 2.474 188 HD1 TRP 25 HD1 TRP 25 58.812 -13.147 0.239 189 HE1 TRP 25 HE1 TRP 25 60.839 -13.773 1.685 190 HE3 TRP 25 HE3 TRP 25 57.010 -11.749 4.796 191 HZ2 TRP 25 HZ2 TRP 25 61.588 -13.663 4.413 192 HZ3 TRP 25 HZ3 TRP 25 58.441 -12.027 6.773 193 HH2 TRP 25 HH2 TRP 25 60.675 -12.983 6.582 194 H LEU 26 H LEU 26 54.227 -12.855 3.625 195 HA LEU 26 HA LEU 26 55.592 -14.807 5.260 196 HB2 LEU 26 HB3 LEU 26 53.540 -12.688 5.690 197 HB3 LEU 26 HB2 LEU 26 53.617 -14.000 6.842 198 HG LEU 26 HG LEU 26 55.663 -11.886 6.276 199 HD11 LEU 26 HD11 LEU 26 55.506 -11.458 8.597 200 HD12 LEU 26 HD12 LEU 26 54.621 -12.957 8.883 201 HD13 LEU 26 HD13 LEU 26 53.852 -11.633 8.009 202 HD21 LEU 26 HD21 LEU 26 57.178 -13.162 7.804 203 HD22 LEU 26 HD22 LEU 26 56.966 -13.880 6.208 204 HD23 LEU 26 HD23 LEU 26 56.114 -14.552 7.598 205 H LYS 27 H LYS 27 52.596 -14.485 3.475 206 HA LYS 27 HA LYS 27 50.983 -16.387 4.636 207 HB2 LYS 27 HB3 LYS 27 51.099 -15.037 2.147 208 HB3 LYS 27 HB2 LYS 27 50.859 -16.741 1.792 209 HG2 LYS 27 HG3 LYS 27 48.703 -16.458 2.196 210 HG3 LYS 27 HG2 LYS 27 49.104 -16.166 3.890 211 HD2 LYS 27 HD3 LYS 27 49.641 -13.739 2.883 212 HD3 LYS 27 HD2 LYS 27 48.395 -14.255 1.744 213 HE2 LYS 27 HE2 LYS 27 48.172 -14.077 4.745 214 HE3 LYS 27 HE3 LYS 27 47.344 -13.077 3.553 215 HZ1 LYS 27 HZ1 LYS 27 46.232 -15.122 2.756 216 HZ2 LYS 27 HZ2 LYS 27 45.835 -14.723 4.352 217 HZ3 LYS 27 HZ3 LYS 27 46.930 -15.975 4.042 218 H GLU 28 H GLU 28 53.814 -16.866 2.647 219 HA GLU 28 HA GLU 28 53.422 -19.753 2.607 220 HB2 GLU 28 HB3 GLU 28 55.843 -18.370 1.500 221 HB3 GLU 28 HB2 GLU 28 55.080 -19.862 0.969 222 HG2 GLU 28 HG3 GLU 28 53.089 -18.101 0.496 223 HG3 GLU 28 HG2 GLU 28 54.502 -17.074 0.244 224 H GLY 29 H GLY 29 55.236 -17.318 4.292 225 HA2 GLY 29 HA3 GLY 29 56.022 -18.091 6.518 226 HA3 GLY 29 HA2 GLY 29 56.764 -19.444 5.658 227 H GLY 30 H GLY 30 56.741 -16.349 4.162 228 HA2 GLY 30 HA3 GLY 30 58.699 -15.398 3.217 229 HA3 GLY 30 HA2 GLY 30 58.559 -14.700 4.811 230 HA PRO 31 HA PRO 31 62.551 -16.176 5.758 231 HB2 PRO 31 HB3 PRO 31 62.381 -16.451 8.438 232 HB3 PRO 31 HB2 PRO 31 62.327 -14.870 7.647 233 HG2 PRO 31 HG3 PRO 31 60.079 -16.535 8.703 234 HG3 PRO 31 HG2 PRO 31 60.322 -14.784 8.813 235 HD2 PRO 31 HD3 PRO 31 58.673 -15.986 7.007 236 HD3 PRO 31 HD2 PRO 31 59.425 -14.429 6.749 237 H SER 32 H SER 32 61.382 -18.278 4.606 238 HA SER 32 HA SER 32 62.596 -20.503 5.780 239 HB2 SER 32 HB3 SER 32 60.836 -20.409 7.456 240 HB3 SER 32 HB2 SER 32 59.600 -20.379 6.198 241 HG SER 32 HG SER 32 59.995 -22.478 7.157 242 H SER 33 H SER 33 59.954 -19.371 3.733 243 HA SER 33 HA SER 33 59.660 -21.604 2.096 244 HB2 SER 33 HB3 SER 33 58.541 -19.095 2.201 245 HB3 SER 33 HB2 SER 33 59.430 -19.043 0.674 246 HG SER 33 HG SER 33 57.536 -21.013 1.449 247 H GLY 34 H GLY 34 61.327 -18.634 1.038 248 HA2 GLY 34 HA3 GLY 34 63.812 -19.564 0.444 249 HA3 GLY 34 HA2 GLY 34 62.838 -20.124 -0.913 250 H ARG 35 H ARG 35 62.578 -17.096 0.910 251 HA ARG 35 HA ARG 35 63.802 -15.531 -1.151 252 HB2 ARG 35 HB3 ARG 35 61.730 -14.214 -1.659 253 HB3 ARG 35 HB2 ARG 35 61.714 -15.858 -2.286 254 HG2 ARG 35 HG3 ARG 35 60.530 -16.215 0.125 255 HG3 ARG 35 HG2 ARG 35 60.007 -14.581 -0.279 256 HD2 ARG 35 HD3 ARG 35 58.346 -15.889 -1.225 257 HD3 ARG 35 HD2 ARG 35 59.424 -15.589 -2.587 258 HE ARG 35 HE ARG 35 60.178 -17.974 -1.295 259 HH11 ARG 35 HH11 ARG 35 57.641 -16.680 -3.312 260 HH12 ARG 35 HH12 ARG 35 57.254 -18.212 -4.022 261 HH21 ARG 35 HH21 ARG 35 59.672 -19.989 -2.229 262 HH22 ARG 35 HH22 ARG 35 58.406 -20.091 -3.407 263 HA PRO 36 HA PRO 36 64.005 -12.743 2.270 264 HB2 PRO 36 HB3 PRO 36 64.607 -10.429 1.057 265 HB3 PRO 36 HB2 PRO 36 65.724 -11.799 1.047 266 HG2 PRO 36 HG3 PRO 36 63.964 -10.774 -1.115 267 HG3 PRO 36 HG2 PRO 36 65.552 -11.548 -1.229 268 HD2 PRO 36 HD3 PRO 36 63.051 -12.773 -1.634 269 HD3 PRO 36 HD2 PRO 36 64.611 -13.598 -1.466 270 HA PRO 37 HA PRO 37 60.239 -10.484 2.751 271 HB2 PRO 37 HB3 PRO 37 61.264 -8.559 4.571 272 HB3 PRO 37 HB2 PRO 37 60.505 -10.107 4.957 273 HG2 PRO 37 HG3 PRO 37 63.186 -9.442 5.389 274 HG3 PRO 37 HG2 PRO 37 62.499 -11.074 5.413 275 HD2 PRO 37 HD3 PRO 37 64.020 -9.690 3.260 276 HD3 PRO 37 HD2 PRO 37 63.980 -11.413 3.687 277 HA PRO 38 HA PRO 38 60.300 -7.022 -0.043 278 HB2 PRO 38 HB3 PRO 38 57.826 -6.019 0.566 279 HB3 PRO 38 HB2 PRO 38 58.092 -7.413 -0.488 280 HG2 PRO 38 HG3 PRO 38 57.340 -7.344 2.406 281 HG3 PRO 38 HG2 PRO 38 56.719 -8.380 1.111 282 HD2 PRO 38 HD3 PRO 38 58.528 -9.267 2.884 283 HD3 PRO 38 HD2 PRO 38 58.545 -9.792 1.188 284 H SER 39 H SER 39 59.178 -4.591 0.300 285 HA SER 39 HA SER 39 60.870 -3.423 2.345 286 HB2 SER 39 HB3 SER 39 60.988 -2.258 0.300 287 HB3 SER 39 HB2 SER 39 59.239 -2.289 0.081 288 HG SER 39 HG SER 39 60.464 -0.928 2.236 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 63.319 18.369 -11.340 2 H2 HIS 1 H2 HIS 1 64.564 18.036 -10.208 3 H3 HIS 1 H3 HIS 1 63.225 19.008 -9.753 4 HA HIS 1 HA HIS 1 61.770 17.239 -9.797 5 HB2 HIS 1 HB3 HIS 1 63.019 16.371 -11.931 6 HB3 HIS 1 HB2 HIS 1 63.916 15.386 -10.781 7 HD1 HIS 1 HD1 HIS 1 62.794 13.313 -12.003 8 HD2 HIS 1 HD2 HIS 1 60.191 15.789 -9.917 9 HE1 HIS 1 HE1 HIS 1 60.669 11.991 -11.747 10 HE2 HIS 1 HE2 HIS 1 59.139 13.477 -10.407 11 H GLY 2 H GLY 2 61.507 15.891 -8.023 12 HA2 GLY 2 HA3 GLY 2 63.883 15.638 -6.283 13 HA3 GLY 2 HA2 GLY 2 62.272 15.980 -5.672 14 H GLU 3 H GLU 3 60.909 14.107 -7.382 15 HA GLU 3 HA GLU 3 60.219 11.941 -7.384 16 HB2 GLU 3 HB3 GLU 3 63.163 11.766 -7.374 17 HB3 GLU 3 HB2 GLU 3 62.332 10.314 -6.834 18 HG2 GLU 3 HG3 GLU 3 61.301 9.984 -8.880 19 HG3 GLU 3 HG2 GLU 3 61.522 11.662 -9.374 20 H GLY 4 H GLY 4 60.284 9.838 -5.973 21 HA2 GLY 4 HA3 GLY 4 59.612 10.674 -3.304 22 HA3 GLY 4 HA2 GLY 4 59.500 9.043 -3.945 23 H THR 5 H THR 5 61.550 11.375 -2.360 24 HA THR 5 HA THR 5 63.510 9.243 -1.828 25 HB THR 5 HB THR 5 64.487 11.876 -1.161 26 HG1 THR 5 HG1 THR 5 63.684 11.513 -3.856 27 HG21 THR 5 HG21 THR 5 66.059 10.173 -1.563 28 HG22 THR 5 HG22 THR 5 66.191 11.292 -2.920 29 HG23 THR 5 HG23 THR 5 65.333 9.764 -3.118 30 H PHE 6 H PHE 6 61.020 9.698 -0.382 31 HA PHE 6 HA PHE 6 62.132 9.773 2.285 32 HB2 PHE 6 HB3 PHE 6 60.500 11.476 3.086 33 HB3 PHE 6 HB2 PHE 6 61.701 12.131 1.980 34 HD1 PHE 6 HD2 PHE 6 58.179 11.214 2.398 35 HD2 PHE 6 HD1 PHE 6 61.081 12.943 -0.190 36 HE1 PHE 6 HE2 PHE 6 56.377 12.107 0.983 37 HE2 PHE 6 HE1 PHE 6 59.284 13.840 -1.612 38 HZ PHE 6 HZ PHE 6 56.928 13.422 -1.027 39 H THR 7 H THR 7 60.004 9.719 3.858 40 HA THR 7 HA THR 7 58.485 7.415 2.862 41 HB THR 7 HB THR 7 57.933 7.112 5.326 42 HG1 THR 7 HG1 THR 7 59.031 8.284 6.787 43 HG21 THR 7 HG21 THR 7 59.755 5.859 4.137 44 HG22 THR 7 HG22 THR 7 59.950 6.026 5.882 45 HG23 THR 7 HG23 THR 7 60.884 7.046 4.788 46 H SER 8 H SER 8 56.274 7.370 2.849 47 HA SER 8 HA SER 8 54.517 9.036 4.170 48 HB2 SER 8 HB3 SER 8 55.334 10.970 3.070 49 HB3 SER 8 HB2 SER 8 55.419 10.145 1.514 50 HG SER 8 HG SER 8 53.374 11.507 2.593 51 H ASP 9 H ASP 9 54.642 8.319 0.672 52 HA ASP 9 HA ASP 9 52.125 6.857 0.963 53 HB2 ASP 9 HB3 ASP 9 53.577 7.720 -1.550 54 HB3 ASP 9 HB2 ASP 9 51.979 6.982 -1.487 55 H LEU 10 H LEU 10 54.707 5.802 1.818 56 HA LEU 10 HA LEU 10 54.513 3.315 0.318 57 HB2 LEU 10 HB3 LEU 10 56.954 2.946 0.844 58 HB3 LEU 10 HB2 LEU 10 56.574 4.090 -0.430 59 HG LEU 10 HG LEU 10 58.439 4.750 1.150 60 HD11 LEU 10 HD11 LEU 10 56.183 6.729 1.094 61 HD12 LEU 10 HD12 LEU 10 57.092 6.282 -0.347 62 HD13 LEU 10 HD13 LEU 10 57.915 7.034 1.018 63 HD21 LEU 10 HD21 LEU 10 56.188 5.407 3.038 64 HD22 LEU 10 HD22 LEU 10 57.921 5.585 3.309 65 HD23 LEU 10 HD23 LEU 10 57.205 3.977 3.202 66 H SER 11 H SER 11 53.590 4.653 2.879 67 HA SER 11 HA SER 11 54.277 2.453 4.663 68 HB2 SER 11 HB3 SER 11 55.243 4.310 5.721 69 HB3 SER 11 HB2 SER 11 53.962 5.387 5.166 70 H LYS 12 H LYS 12 51.889 4.524 3.304 71 HA LYS 12 HA LYS 12 49.747 2.931 4.528 72 HB2 LYS 12 HB3 LYS 12 50.057 5.860 4.064 73 HB3 LYS 12 HB2 LYS 12 48.465 5.131 4.093 74 HG2 LYS 12 HG3 LYS 12 48.507 4.837 6.314 75 HG3 LYS 12 HG2 LYS 12 50.197 4.326 6.275 76 HD2 LYS 12 HD3 LYS 12 50.096 6.362 7.523 77 HD3 LYS 12 HD2 LYS 12 50.840 6.720 5.963 78 HE2 LYS 12 HE2 LYS 12 49.329 8.464 6.251 79 HE3 LYS 12 HE3 LYS 12 48.457 7.338 5.213 80 HZ1 LYS 12 HZ1 LYS 12 47.561 6.439 7.449 81 HZ2 LYS 12 HZ2 LYS 12 46.899 7.854 6.804 82 HZ3 LYS 12 HZ3 LYS 12 48.028 7.945 8.060 83 H GLN 13 H GLN 13 51.230 4.035 1.718 84 HA GLN 13 HA GLN 13 48.860 3.344 0.125 85 HB2 GLN 13 HB3 GLN 13 49.487 5.697 -0.056 86 HB3 GLN 13 HB2 GLN 13 51.101 5.225 -0.562 87 HG2 GLN 13 HG3 GLN 13 50.289 5.524 -2.625 88 HG3 GLN 13 HG2 GLN 13 49.609 3.914 -2.390 89 HE21 GLN 13 HE21 GLN 13 48.961 7.239 -2.816 90 HE22 GLN 13 HE22 GLN 13 47.229 7.144 -2.764 91 H MET 14 H MET 14 52.385 3.048 0.369 92 HA MET 14 HA MET 14 52.183 0.986 -1.737 93 HB2 MET 14 HB3 MET 14 54.135 1.684 -2.551 94 HB3 MET 14 HB2 MET 14 54.126 2.997 -1.391 95 HG2 MET 14 HG3 MET 14 55.385 1.714 0.172 96 HG3 MET 14 HG2 MET 14 55.226 0.256 -0.821 97 HE1 MET 14 HE1 MET 14 55.936 2.048 -3.880 98 HE2 MET 14 HE2 MET 14 55.816 0.374 -3.336 99 HE3 MET 14 HE3 MET 14 57.361 1.008 -3.904 100 H GLU 15 H GLU 15 52.547 1.601 1.567 101 HA GLU 15 HA GLU 15 53.595 -1.035 2.136 102 HB2 GLU 15 HB3 GLU 15 53.624 1.398 3.511 103 HB3 GLU 15 HB2 GLU 15 52.561 0.357 4.446 104 HG2 GLU 15 HG3 GLU 15 54.334 -1.346 4.494 105 HG3 GLU 15 HG2 GLU 15 55.402 -0.234 3.641 106 H GLU 16 H GLU 16 50.605 0.889 2.138 107 HA GLU 16 HA GLU 16 48.904 -0.818 3.522 108 HB2 GLU 16 HB3 GLU 16 48.622 1.341 1.699 109 HB3 GLU 16 HB2 GLU 16 47.557 0.053 1.153 110 HG2 GLU 16 HG3 GLU 16 46.592 -0.058 3.420 111 HG3 GLU 16 HG2 GLU 16 47.596 1.315 3.882 112 H GLU 17 H GLU 17 50.230 -1.011 0.312 113 HA GLU 17 HA GLU 17 48.933 -3.542 -0.291 114 HB2 GLU 17 HB3 GLU 17 49.506 -3.154 -2.473 115 HB3 GLU 17 HB2 GLU 17 49.476 -1.495 -1.904 116 HG2 GLU 17 HG3 GLU 17 51.944 -1.754 -1.461 117 HG3 GLU 17 HG2 GLU 17 51.860 -3.247 -2.366 118 H DAL 18 H ALA 18 52.030 -2.116 0.503 119 HA DAL 18 HA ALA 18 53.941 -3.008 1.353 120 HB1 DAL 18 HB1 ALA 18 53.334 -4.579 -1.067 121 HB2 DAL 18 HB2 ALA 18 54.538 -5.262 0.026 122 HB3 DAL 18 HB3 ALA 18 54.772 -3.649 -0.647 123 H VAL 19 H VAL 19 51.600 -3.617 2.739 124 HA VAL 19 HA VAL 19 52.459 -5.799 4.356 125 HB VAL 19 HB VAL 19 49.806 -4.340 4.339 126 HG11 VAL 19 HG11 VAL 19 49.818 -5.136 6.769 127 HG12 VAL 19 HG12 VAL 19 51.037 -6.299 6.248 128 HG13 VAL 19 HG13 VAL 19 49.429 -6.321 5.523 129 HG21 VAL 19 HG21 VAL 19 50.708 -2.717 5.613 130 HG22 VAL 19 HG22 VAL 19 52.216 -3.237 4.855 131 HG23 VAL 19 HG23 VAL 19 51.783 -3.835 6.456 132 H ARG 20 H ARG 20 50.098 -5.333 1.802 133 HA ARG 20 HA ARG 20 48.729 -7.784 2.099 134 HB2 ARG 20 HB3 ARG 20 49.137 -6.088 -0.375 135 HB3 ARG 20 HB2 ARG 20 47.992 -7.416 -0.241 136 HG2 ARG 20 HG3 ARG 20 47.738 -5.364 1.840 137 HG3 ARG 20 HG2 ARG 20 47.400 -4.811 0.199 138 HD2 ARG 20 HD3 ARG 20 45.352 -5.648 0.487 139 HD3 ARG 20 HD2 ARG 20 46.097 -7.238 0.334 140 HE ARG 20 HE ARG 20 45.798 -7.565 2.586 141 HH11 ARG 20 HH11 ARG 20 45.275 -4.195 1.839 142 HH12 ARG 20 HH12 ARG 20 44.655 -3.815 3.412 143 HH21 ARG 20 HH21 ARG 20 44.982 -7.066 4.652 144 HH22 ARG 20 HH22 ARG 20 44.489 -5.444 5.009 145 H LEU 21 H LEU 21 51.644 -6.810 0.367 146 HA LEU 21 HA LEU 21 51.972 -9.510 -0.707 147 HB2 LEU 21 HB3 LEU 21 53.854 -7.179 -0.969 148 HB3 LEU 21 HB2 LEU 21 53.808 -8.634 -1.953 149 HG LEU 21 HG LEU 21 51.648 -6.544 -1.852 150 HD11 LEU 21 HD11 LEU 21 52.622 -6.513 -4.379 151 HD12 LEU 21 HD12 LEU 21 54.090 -6.835 -3.456 152 HD13 LEU 21 HD13 LEU 21 53.125 -5.400 -3.108 153 HD21 LEU 21 HD21 LEU 21 51.276 -7.969 -4.136 154 HD22 LEU 21 HD22 LEU 21 50.412 -8.245 -2.623 155 HD23 LEU 21 HD23 LEU 21 51.826 -9.222 -3.023 156 H TYR 22 H TYR 22 53.199 -7.446 1.810 157 HA TYR 22 HA TYR 22 55.507 -8.967 2.459 158 HB2 TYR 22 HB3 TYR 22 55.487 -6.806 3.355 159 HB3 TYR 22 HB2 TYR 22 53.815 -6.919 3.851 160 HD1 TYR 22 HD2 TYR 22 56.715 -9.151 4.536 161 HD2 TYR 22 HD1 TYR 22 53.743 -6.541 6.083 162 HE1 TYR 22 HE2 TYR 22 57.410 -9.723 6.823 163 HE2 TYR 22 HE1 TYR 22 54.414 -7.097 8.364 164 HH TYR 22 HH TYR 22 55.565 -8.830 9.585 165 H ILE 23 H ILE 23 52.207 -8.781 3.634 166 HA ILE 23 HA ILE 23 52.432 -10.926 5.462 167 HB ILE 23 HB ILE 23 50.005 -9.783 4.057 168 HG12 ILE 23 HG12 ILE 23 51.349 -8.292 5.620 169 HG13 ILE 23 HG13 ILE 23 49.648 -8.494 6.022 170 HG21 ILE 23 HG21 ILE 23 49.600 -12.063 4.780 171 HG22 ILE 23 HG22 ILE 23 48.695 -10.922 5.775 172 HG23 ILE 23 HG23 ILE 23 50.169 -11.662 6.400 173 HD11 ILE 23 HD11 ILE 23 50.333 -10.226 7.679 174 HD12 ILE 23 HD12 ILE 23 50.915 -8.599 8.032 175 HD13 ILE 23 HD13 ILE 23 52.011 -9.798 7.344 176 H GLN 24 H GLN 24 51.876 -10.595 2.021 177 HA GLN 24 HA GLN 24 50.978 -13.255 1.508 178 HB2 GLN 24 HB3 GLN 24 50.856 -11.291 -0.096 179 HB3 GLN 24 HB2 GLN 24 52.578 -11.486 -0.355 180 HG2 GLN 24 HG3 GLN 24 51.499 -12.570 -2.143 181 HG3 GLN 24 HG2 GLN 24 52.106 -13.838 -1.075 182 HE21 GLN 24 HE21 GLN 24 50.730 -15.464 -1.186 183 HE22 GLN 24 HE22 GLN 24 49.012 -15.350 -1.043 184 H TRP 25 H TRP 25 54.106 -11.621 1.450 185 HA TRP 25 HA TRP 25 55.789 -13.752 0.794 186 HB2 TRP 25 HB3 TRP 25 56.651 -11.498 0.898 187 HB3 TRP 25 HB2 TRP 25 56.191 -11.348 2.591 188 HD1 TRP 25 HD1 TRP 25 58.779 -13.087 0.360 189 HE1 TRP 25 HE1 TRP 25 60.787 -13.736 1.821 190 HE3 TRP 25 HE3 TRP 25 56.896 -11.812 4.918 191 HZ2 TRP 25 HZ2 TRP 25 61.494 -13.692 4.565 192 HZ3 TRP 25 HZ3 TRP 25 58.299 -12.130 6.911 193 HH2 TRP 25 HH2 TRP 25 60.543 -13.065 6.735 194 H LEU 26 H LEU 26 54.100 -12.864 3.683 195 HA LEU 26 HA LEU 26 55.434 -14.818 5.353 196 HB2 LEU 26 HB3 LEU 26 53.411 -12.666 5.742 197 HB3 LEU 26 HB2 LEU 26 53.424 -13.984 6.890 198 HG LEU 26 HG LEU 26 55.512 -11.893 6.408 199 HD11 LEU 26 HD11 LEU 26 55.310 -11.508 8.724 200 HD12 LEU 26 HD12 LEU 26 54.451 -13.029 8.978 201 HD13 LEU 26 HD13 LEU 26 53.662 -11.702 8.125 202 HD21 LEU 26 HD21 LEU 26 56.801 -13.894 6.306 203 HD22 LEU 26 HD22 LEU 26 55.926 -14.597 7.664 204 HD23 LEU 26 HD23 LEU 26 56.998 -13.220 7.921 205 H LYS 27 H LYS 27 52.443 -14.452 3.551 206 HA LYS 27 HA LYS 27 50.834 -16.367 4.710 207 HB2 LYS 27 HB3 LYS 27 51.152 -15.360 1.920 208 HB3 LYS 27 HB2 LYS 27 50.170 -16.796 2.171 209 HG2 LYS 27 HG3 LYS 27 49.304 -15.002 4.112 210 HG3 LYS 27 HG2 LYS 27 49.542 -14.025 2.663 211 HD2 LYS 27 HD3 LYS 27 47.480 -14.721 2.109 212 HD3 LYS 27 HD2 LYS 27 48.288 -16.221 1.644 213 HE2 LYS 27 HE2 LYS 27 46.984 -17.269 3.111 214 HE3 LYS 27 HE3 LYS 27 47.884 -16.455 4.388 215 HZ1 LYS 27 HZ1 LYS 27 45.216 -15.933 3.383 216 HZ2 LYS 27 HZ2 LYS 27 46.144 -14.556 3.706 217 HZ3 LYS 27 HZ3 LYS 27 45.859 -15.690 4.930 218 H GLU 28 H GLU 28 53.709 -16.809 2.820 219 HA GLU 28 HA GLU 28 53.264 -19.695 2.658 220 HB2 GLU 28 HB3 GLU 28 55.671 -18.277 1.558 221 HB3 GLU 28 HB2 GLU 28 54.933 -19.779 1.018 222 HG2 GLU 28 HG3 GLU 28 52.912 -18.023 0.590 223 HG3 GLU 28 HG2 GLU 28 54.322 -17.003 0.298 224 H GLY 29 H GLY 29 55.118 -17.307 4.377 225 HA2 GLY 29 HA3 GLY 29 55.920 -18.122 6.579 226 HA3 GLY 29 HA2 GLY 29 56.629 -19.477 5.692 227 H GLY 30 H GLY 30 56.627 -16.337 4.280 228 HA2 GLY 30 HA3 GLY 30 58.602 -15.429 3.300 229 HA3 GLY 30 HA2 GLY 30 58.467 -14.725 4.894 230 HA PRO 31 HA PRO 31 62.440 -16.229 5.873 231 HB2 PRO 31 HB3 PRO 31 62.235 -16.637 8.535 232 HB3 PRO 31 HB2 PRO 31 62.179 -15.021 7.822 233 HG2 PRO 31 HG3 PRO 31 59.922 -16.763 8.737 234 HG3 PRO 31 HG2 PRO 31 60.158 -15.025 8.976 235 HD2 PRO 31 HD3 PRO 31 58.539 -16.074 7.067 236 HD3 PRO 31 HD2 PRO 31 59.332 -14.525 6.903 237 H SER 32 H SER 32 61.330 -18.278 4.598 238 HA SER 32 HA SER 32 62.521 -20.555 5.708 239 HB2 SER 32 HB3 SER 32 59.643 -20.156 6.350 240 HB3 SER 32 HB2 SER 32 60.143 -21.779 5.874 241 HG SER 32 HG SER 32 60.283 -20.973 8.227 242 H SER 33 H SER 33 59.916 -19.370 3.632 243 HA SER 33 HA SER 33 59.800 -21.514 1.845 244 HB2 SER 33 HB3 SER 33 58.238 -19.480 2.030 245 HB3 SER 33 HB2 SER 33 59.410 -18.643 1.004 246 HG SER 33 HG SER 33 59.108 -20.382 -0.518 247 H GLY 34 H GLY 34 61.976 -18.759 2.005 248 HA2 GLY 34 HA3 GLY 34 64.235 -19.012 1.182 249 HA3 GLY 34 HA2 GLY 34 63.597 -20.032 -0.106 250 H ARG 35 H ARG 35 62.922 -16.756 1.140 251 HA ARG 35 HA ARG 35 63.662 -15.586 -1.393 252 HB2 ARG 35 HB3 ARG 35 61.452 -14.468 -1.693 253 HB3 ARG 35 HB2 ARG 35 61.416 -16.206 -1.950 254 HG2 ARG 35 HG3 ARG 35 60.832 -15.913 0.736 255 HG3 ARG 35 HG2 ARG 35 59.987 -14.582 -0.044 256 HD2 ARG 35 HD3 ARG 35 59.724 -17.523 -0.615 257 HD3 ARG 35 HD2 ARG 35 58.491 -16.429 0.005 258 HE ARG 35 HE ARG 35 58.254 -15.505 -2.147 259 HH11 ARG 35 HH11 ARG 35 60.557 -18.137 -2.088 260 HH12 ARG 35 HH12 ARG 35 60.505 -18.378 -3.801 261 HH21 ARG 35 HH21 ARG 35 58.193 -15.828 -4.395 262 HH22 ARG 35 HH22 ARG 35 59.168 -17.070 -5.108 263 HA PRO 36 HA PRO 36 64.592 -12.220 1.305 264 HB2 PRO 36 HB3 PRO 36 64.859 -10.210 -0.441 265 HB3 PRO 36 HB2 PRO 36 65.990 -11.571 -0.424 266 HG2 PRO 36 HG3 PRO 36 63.643 -11.082 -2.220 267 HG3 PRO 36 HG2 PRO 36 65.275 -11.630 -2.643 268 HD2 PRO 36 HD3 PRO 36 63.151 -13.321 -2.364 269 HD3 PRO 36 HD2 PRO 36 64.832 -13.809 -2.050 270 HA PRO 37 HA PRO 37 60.283 -10.923 2.105 271 HB2 PRO 37 HB3 PRO 37 61.314 -9.292 4.218 272 HB3 PRO 37 HB2 PRO 37 60.437 -10.820 4.349 273 HG2 PRO 37 HG3 PRO 37 63.327 -10.293 4.514 274 HG3 PRO 37 HG2 PRO 37 62.396 -11.660 5.139 275 HD2 PRO 37 HD3 PRO 37 64.063 -11.855 3.008 276 HD3 PRO 37 HD2 PRO 37 62.609 -12.856 3.183 277 HA PRO 38 HA PRO 38 60.332 -6.980 0.107 278 HB2 PRO 38 HB3 PRO 38 57.920 -6.027 0.841 279 HB3 PRO 38 HB2 PRO 38 58.095 -7.379 -0.286 280 HG2 PRO 38 HG3 PRO 38 57.481 -7.429 2.644 281 HG3 PRO 38 HG2 PRO 38 56.741 -8.353 1.329 282 HD2 PRO 38 HD3 PRO 38 58.644 -9.387 2.964 283 HD3 PRO 38 HD2 PRO 38 58.447 -9.892 1.274 284 H SER 39 H SER 39 59.328 -4.609 0.828 285 HA SER 39 HA SER 39 60.410 -3.994 3.489 286 HB2 SER 39 HB3 SER 39 60.923 -2.162 1.160 287 HB3 SER 39 HB2 SER 39 61.751 -2.231 2.715 288 HG SER 39 HG SER 39 63.054 -3.174 1.156 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 68.088 4.130 3.911 2 H2 HIS 1 H2 HIS 1 67.017 3.226 2.920 3 H3 HIS 1 H3 HIS 1 67.641 4.725 2.366 4 HA HIS 1 HA HIS 1 69.372 2.459 3.046 5 HB2 HIS 1 HB3 HIS 1 67.458 2.169 1.210 6 HB3 HIS 1 HB2 HIS 1 68.616 3.054 0.222 7 HD1 HIS 1 HD1 HIS 1 71.237 1.783 1.124 8 HD2 HIS 1 HD2 HIS 1 67.777 -0.384 0.347 9 HE1 HIS 1 HE1 HIS 1 72.009 -0.554 0.607 10 HE2 HIS 1 HE2 HIS 1 69.892 -1.866 0.223 11 H GLY 2 H GLY 2 69.652 5.309 3.519 12 HA2 GLY 2 HA3 GLY 2 72.219 5.813 2.812 13 HA3 GLY 2 HA2 GLY 2 71.316 6.366 1.410 14 H GLU 3 H GLU 3 69.514 7.924 1.892 15 HA GLU 3 HA GLU 3 70.203 9.658 4.171 16 HB2 GLU 3 HB3 GLU 3 69.620 11.603 2.679 17 HB3 GLU 3 HB2 GLU 3 71.101 10.756 2.257 18 HG2 GLU 3 HG3 GLU 3 69.649 9.447 0.602 19 HG3 GLU 3 HG2 GLU 3 68.454 10.717 0.861 20 H GLY 4 H GLY 4 67.714 8.938 1.727 21 HA2 GLY 4 HA3 GLY 4 65.426 8.851 1.888 22 HA3 GLY 4 HA2 GLY 4 65.652 8.607 3.613 23 H THR 5 H THR 5 63.621 10.167 2.184 24 HA THR 5 HA THR 5 63.779 12.539 3.806 25 HB THR 5 HB THR 5 63.195 13.879 1.562 26 HG1 THR 5 HG1 THR 5 64.591 13.143 -0.091 27 HG21 THR 5 HG21 THR 5 66.082 13.331 2.133 28 HG22 THR 5 HG22 THR 5 65.080 14.276 3.232 29 HG23 THR 5 HG23 THR 5 65.323 14.821 1.574 30 H PHE 6 H PHE 6 62.100 10.910 1.137 31 HA PHE 6 HA PHE 6 59.545 11.944 2.120 32 HB2 PHE 6 HB3 PHE 6 58.642 10.897 0.004 33 HB3 PHE 6 HB2 PHE 6 59.791 12.209 -0.236 34 HD1 PHE 6 HD1 PHE 6 59.226 8.611 -0.533 35 HD2 PHE 6 HD2 PHE 6 61.985 11.791 -1.150 36 HE1 PHE 6 HE1 PHE 6 60.598 7.141 -1.953 37 HE2 PHE 6 HE2 PHE 6 63.361 10.329 -2.571 38 HZ PHE 6 HZ PHE 6 62.667 8.000 -2.974 39 H THR 7 H THR 7 57.991 10.689 3.006 40 HA THR 7 HA THR 7 57.982 7.836 2.824 41 HB THR 7 HB THR 7 58.806 9.120 5.436 42 HG1 THR 7 HG1 THR 7 60.088 7.386 3.614 43 HG21 THR 7 HG21 THR 7 58.117 7.360 6.579 44 HG22 THR 7 HG22 THR 7 58.915 6.259 5.456 45 HG23 THR 7 HG23 THR 7 57.270 6.806 5.135 46 H SER 8 H SER 8 55.900 8.857 2.032 47 HA SER 8 HA SER 8 54.017 9.003 4.286 48 HB2 SER 8 HB3 SER 8 54.421 10.935 2.071 49 HB3 SER 8 HB2 SER 8 52.752 10.586 2.518 50 HG SER 8 HG SER 8 53.511 11.022 4.748 51 H ASP 9 H ASP 9 54.425 8.328 0.818 52 HA ASP 9 HA ASP 9 51.919 6.792 0.901 53 HB2 ASP 9 HB3 ASP 9 53.491 7.587 -1.554 54 HB3 ASP 9 HB2 ASP 9 51.853 6.940 -1.500 55 H LEU 10 H LEU 10 54.546 5.909 1.939 56 HA LEU 10 HA LEU 10 54.538 3.392 0.464 57 HB2 LEU 10 HB3 LEU 10 56.965 3.137 1.107 58 HB3 LEU 10 HB2 LEU 10 56.585 4.235 -0.208 59 HG LEU 10 HG LEU 10 58.347 5.056 1.372 60 HD11 LEU 10 HD11 LEU 10 57.774 7.198 0.955 61 HD12 LEU 10 HD12 LEU 10 56.149 7.005 1.610 62 HD13 LEU 10 HD13 LEU 10 56.517 6.431 -0.015 63 HD21 LEU 10 HD21 LEU 10 56.132 5.658 3.292 64 HD22 LEU 10 HD22 LEU 10 57.875 5.676 3.555 65 HD23 LEU 10 HD23 LEU 10 57.026 4.140 3.390 66 H SER 11 H SER 11 53.410 4.660 2.959 67 HA SER 11 HA SER 11 54.102 2.470 4.756 68 HB2 SER 11 HB3 SER 11 54.993 4.352 5.859 69 HB3 SER 11 HB2 SER 11 53.662 5.380 5.331 70 H LYS 12 H LYS 12 51.733 4.550 3.365 71 HA LYS 12 HA LYS 12 49.572 2.887 4.451 72 HB2 LYS 12 HB3 LYS 12 49.828 5.832 4.017 73 HB3 LYS 12 HB2 LYS 12 48.260 5.052 4.025 74 HG2 LYS 12 HG3 LYS 12 48.274 4.783 6.247 75 HG3 LYS 12 HG2 LYS 12 49.970 4.287 6.234 76 HD2 LYS 12 HD3 LYS 12 49.883 6.313 7.468 77 HD3 LYS 12 HD2 LYS 12 50.565 6.710 5.886 78 HE2 LYS 12 HE2 LYS 12 48.690 7.855 5.217 79 HE3 LYS 12 HE3 LYS 12 47.619 6.931 6.271 80 HZ1 LYS 12 HZ1 LYS 12 48.697 8.105 8.173 81 HZ2 LYS 12 HZ2 LYS 12 47.789 9.105 7.156 82 HZ3 LYS 12 HZ3 LYS 12 49.477 9.106 7.052 83 H GLN 13 H GLN 13 51.177 4.008 1.727 84 HA GLN 13 HA GLN 13 48.882 3.323 0.025 85 HB2 GLN 13 HB3 GLN 13 49.475 5.690 -0.096 86 HB3 GLN 13 HB2 GLN 13 51.114 5.254 -0.546 87 HG2 GLN 13 HG3 GLN 13 50.566 4.896 -2.687 88 HG3 GLN 13 HG2 GLN 13 49.053 4.094 -2.266 89 HE21 GLN 13 HE21 GLN 13 48.888 5.610 -4.379 90 HE22 GLN 13 HE22 GLN 13 48.102 7.124 -4.050 91 H MET 14 H MET 14 52.404 3.104 0.396 92 HA MET 14 HA MET 14 52.326 1.059 -1.738 93 HB2 MET 14 HB3 MET 14 54.298 1.809 -2.459 94 HB3 MET 14 HB2 MET 14 54.225 3.096 -1.273 95 HG2 MET 14 HG3 MET 14 55.425 1.793 0.318 96 HG3 MET 14 HG2 MET 14 55.335 0.359 -0.720 97 HE1 MET 14 HE1 MET 14 57.743 0.853 -3.473 98 HE2 MET 14 HE2 MET 14 56.292 0.079 -2.838 99 HE3 MET 14 HE3 MET 14 57.856 -0.219 -2.076 100 H GLU 15 H GLU 15 52.568 1.645 1.590 101 HA GLU 15 HA GLU 15 53.631 -0.982 2.154 102 HB2 GLU 15 HB3 GLU 15 53.584 1.435 3.561 103 HB3 GLU 15 HB2 GLU 15 52.533 0.352 4.462 104 HG2 GLU 15 HG3 GLU 15 54.346 -1.306 4.516 105 HG3 GLU 15 HG2 GLU 15 55.397 -0.161 3.685 106 H GLU 16 H GLU 16 50.613 0.900 2.107 107 HA GLU 16 HA GLU 16 48.906 -0.842 3.433 108 HB2 GLU 16 HB3 GLU 16 48.627 1.326 1.621 109 HB3 GLU 16 HB2 GLU 16 47.598 0.025 1.040 110 HG2 GLU 16 HG3 GLU 16 46.591 -0.123 3.291 111 HG3 GLU 16 HG2 GLU 16 47.553 1.269 3.778 112 H GLU 17 H GLU 17 50.289 -0.986 0.240 113 HA GLU 17 HA GLU 17 49.028 -3.515 -0.424 114 HB2 GLU 17 HB3 GLU 17 49.709 -3.117 -2.576 115 HB3 GLU 17 HB2 GLU 17 49.638 -1.463 -1.996 116 HG2 GLU 17 HG3 GLU 17 52.084 -1.719 -1.426 117 HG3 GLU 17 HG2 GLU 17 52.051 -3.190 -2.366 118 H DAL 18 H ALA 18 52.096 -2.116 0.511 119 HA DAL 18 HA ALA 18 53.965 -3.027 1.426 120 HB1 DAL 18 HB1 ALA 18 53.453 -4.571 -1.036 121 HB2 DAL 18 HB2 ALA 18 54.624 -5.252 0.092 122 HB3 DAL 18 HB3 ALA 18 54.865 -3.630 -0.557 123 H VAL 19 H VAL 19 51.675 -3.602 2.808 124 HA VAL 19 HA VAL 19 52.452 -5.840 4.370 125 HB VAL 19 HB VAL 19 49.795 -4.389 4.354 126 HG11 VAL 19 HG11 VAL 19 51.051 -6.392 6.172 127 HG12 VAL 19 HG12 VAL 19 49.382 -6.268 5.615 128 HG13 VAL 19 HG13 VAL 19 49.985 -5.159 6.847 129 HG21 VAL 19 HG21 VAL 19 52.201 -3.244 4.841 130 HG22 VAL 19 HG22 VAL 19 51.764 -3.807 6.453 131 HG23 VAL 19 HG23 VAL 19 50.683 -2.723 5.574 132 H ARG 20 H ARG 20 50.167 -5.320 1.758 133 HA ARG 20 HA ARG 20 48.741 -7.750 2.037 134 HB2 ARG 20 HB3 ARG 20 49.191 -6.027 -0.411 135 HB3 ARG 20 HB2 ARG 20 48.048 -7.358 -0.318 136 HG2 ARG 20 HG3 ARG 20 47.287 -5.884 1.822 137 HG3 ARG 20 HG2 ARG 20 47.856 -4.624 0.727 138 HD2 ARG 20 HD3 ARG 20 46.391 -6.231 -0.938 139 HD3 ARG 20 HD2 ARG 20 45.483 -6.327 0.571 140 HE ARG 20 HE ARG 20 45.935 -3.668 0.262 141 HH11 ARG 20 HH11 ARG 20 44.545 -6.133 -1.781 142 HH12 ARG 20 HH12 ARG 20 43.482 -5.034 -2.595 143 HH21 ARG 20 HH21 ARG 20 44.537 -2.223 -0.805 144 HH22 ARG 20 HH22 ARG 20 43.477 -2.815 -2.042 145 H LEU 21 H LEU 21 51.682 -6.814 0.314 146 HA LEU 21 HA LEU 21 51.961 -9.533 -0.733 147 HB2 LEU 21 HB3 LEU 21 53.856 -7.224 -1.065 148 HB3 LEU 21 HB2 LEU 21 53.788 -8.699 -2.020 149 HG LEU 21 HG LEU 21 51.625 -6.612 -1.923 150 HD11 LEU 21 HD11 LEU 21 52.507 -5.605 -3.752 151 HD12 LEU 21 HD12 LEU 21 53.201 -7.104 -4.373 152 HD13 LEU 21 HD13 LEU 21 54.009 -6.231 -3.071 153 HD21 LEU 21 HD21 LEU 21 50.356 -7.947 -3.191 154 HD22 LEU 21 HD22 LEU 21 51.392 -9.245 -2.601 155 HD23 LEU 21 HD23 LEU 21 51.725 -8.491 -4.160 156 H TYR 22 H TYR 22 53.196 -7.475 1.767 157 HA TYR 22 HA TYR 22 55.513 -8.985 2.403 158 HB2 TYR 22 HB3 TYR 22 55.475 -6.803 3.272 159 HB3 TYR 22 HB2 TYR 22 53.821 -6.948 3.818 160 HD1 TYR 22 HD1 TYR 22 56.756 -9.153 4.420 161 HD2 TYR 22 HD2 TYR 22 53.833 -6.539 6.046 162 HE1 TYR 22 HE1 TYR 22 57.527 -9.711 6.685 163 HE2 TYR 22 HE2 TYR 22 54.582 -7.078 8.307 164 HH TYR 22 HH TYR 22 57.474 -8.558 8.990 165 H ILE 23 H ILE 23 52.231 -8.773 3.618 166 HA ILE 23 HA ILE 23 52.447 -10.909 5.454 167 HB ILE 23 HB ILE 23 50.030 -9.746 4.050 168 HG12 ILE 23 HG12 ILE 23 51.385 -8.276 5.616 169 HG13 ILE 23 HG13 ILE 23 49.684 -8.461 6.017 170 HG21 ILE 23 HG21 ILE 23 50.334 -12.001 5.906 171 HG22 ILE 23 HG22 ILE 23 49.077 -11.666 4.714 172 HG23 ILE 23 HG23 ILE 23 49.042 -10.862 6.284 173 HD11 ILE 23 HD11 ILE 23 51.933 -8.927 7.644 174 HD12 ILE 23 HD12 ILE 23 51.166 -10.490 7.353 175 HD13 ILE 23 HD13 ILE 23 50.229 -9.162 8.040 176 H GLN 24 H GLN 24 51.867 -10.605 2.012 177 HA GLN 24 HA GLN 24 50.947 -13.259 1.529 178 HB2 GLN 24 HB3 GLN 24 50.842 -11.310 -0.092 179 HB3 GLN 24 HB2 GLN 24 52.561 -11.533 -0.359 180 HG2 GLN 24 HG3 GLN 24 51.441 -12.619 -2.128 181 HG3 GLN 24 HG2 GLN 24 52.066 -13.878 -1.060 182 HE21 GLN 24 HE21 GLN 24 50.697 -15.504 -1.069 183 HE22 GLN 24 HE22 GLN 24 48.979 -15.392 -0.921 184 H TRP 25 H TRP 25 54.089 -11.661 1.384 185 HA TRP 25 HA TRP 25 55.750 -13.814 0.760 186 HB2 TRP 25 HB3 TRP 25 56.626 -11.568 0.808 187 HB3 TRP 25 HB2 TRP 25 56.183 -11.375 2.502 188 HD1 TRP 25 HD1 TRP 25 58.736 -13.188 0.288 189 HE1 TRP 25 HE1 TRP 25 60.762 -13.803 1.739 190 HE3 TRP 25 HE3 TRP 25 56.921 -11.770 4.833 191 HZ2 TRP 25 HZ2 TRP 25 61.506 -13.678 4.469 192 HZ3 TRP 25 HZ3 TRP 25 58.353 -12.032 6.814 193 HH2 TRP 25 HH2 TRP 25 60.590 -12.984 6.632 194 H LEU 26 H LEU 26 54.111 -12.866 3.660 195 HA LEU 26 HA LEU 26 55.467 -14.795 5.339 196 HB2 LEU 26 HB3 LEU 26 53.439 -12.643 5.732 197 HB3 LEU 26 HB2 LEU 26 53.506 -13.933 6.908 198 HG LEU 26 HG LEU 26 55.574 -11.854 6.298 199 HD11 LEU 26 HD11 LEU 26 53.763 -11.563 8.035 200 HD12 LEU 26 HD12 LEU 26 55.422 -11.372 8.603 201 HD13 LEU 26 HD13 LEU 26 54.543 -12.865 8.933 202 HD21 LEU 26 HD21 LEU 26 56.860 -13.851 6.264 203 HD22 LEU 26 HD22 LEU 26 55.996 -14.507 7.652 204 HD23 LEU 26 HD23 LEU 26 57.071 -13.126 7.856 205 H LYS 27 H LYS 27 52.454 -14.455 3.574 206 HA LYS 27 HA LYS 27 50.843 -16.333 4.776 207 HB2 LYS 27 HB3 LYS 27 51.009 -15.085 2.185 208 HB3 LYS 27 HB2 LYS 27 50.535 -16.766 2.007 209 HG2 LYS 27 HG3 LYS 27 48.528 -16.454 3.003 210 HG3 LYS 27 HG2 LYS 27 49.140 -15.207 4.094 211 HD2 LYS 27 HD3 LYS 27 48.673 -13.534 2.651 212 HD3 LYS 27 HD2 LYS 27 49.136 -14.487 1.239 213 HE2 LYS 27 HE2 LYS 27 47.041 -15.276 0.916 214 HE3 LYS 27 HE3 LYS 27 46.688 -15.350 2.642 215 HZ1 LYS 27 HZ1 LYS 27 46.356 -13.127 0.772 216 HZ2 LYS 27 HZ2 LYS 27 46.757 -12.753 2.371 217 HZ3 LYS 27 HZ3 LYS 27 45.352 -13.633 2.037 218 H GLU 28 H GLU 28 53.689 -16.838 2.842 219 HA GLU 28 HA GLU 28 53.257 -19.728 2.788 220 HB2 GLU 28 HB3 GLU 28 55.672 -18.365 1.648 221 HB3 GLU 28 HB2 GLU 28 54.900 -19.859 1.137 222 HG2 GLU 28 HG3 GLU 28 52.949 -17.934 0.755 223 HG3 GLU 28 HG2 GLU 28 54.444 -17.140 0.263 224 H GLY 29 H GLY 29 55.125 -17.289 4.418 225 HA2 GLY 29 HA3 GLY 29 55.928 -18.041 6.648 226 HA3 GLY 29 HA2 GLY 29 56.638 -19.417 5.797 227 H GLY 30 H GLY 30 56.632 -16.324 4.287 228 HA2 GLY 30 HA3 GLY 30 58.595 -15.427 3.289 229 HA3 GLY 30 HA2 GLY 30 58.481 -14.699 4.874 230 HA PRO 31 HA PRO 31 62.460 -16.221 5.813 231 HB2 PRO 31 HB3 PRO 31 62.308 -16.480 8.494 232 HB3 PRO 31 HB2 PRO 31 62.254 -14.903 7.698 233 HG2 PRO 31 HG3 PRO 31 60.004 -16.559 8.766 234 HG3 PRO 31 HG2 PRO 31 60.259 -14.811 8.887 235 HD2 PRO 31 HD3 PRO 31 58.589 -15.980 7.082 236 HD3 PRO 31 HD2 PRO 31 59.364 -14.435 6.822 237 H SER 32 H SER 32 61.131 -18.317 4.712 238 HA SER 32 HA SER 32 62.299 -20.558 6.029 239 HB2 SER 32 HB3 SER 32 59.301 -20.726 5.780 240 HB3 SER 32 HB2 SER 32 60.392 -21.782 6.678 241 HG SER 32 HG SER 32 60.302 -20.465 8.315 242 H SER 33 H SER 33 59.889 -19.491 3.657 243 HA SER 33 HA SER 33 59.990 -21.713 1.966 244 HB2 SER 33 HB3 SER 33 58.547 -19.412 1.997 245 HB3 SER 33 HB2 SER 33 59.642 -19.091 0.647 246 HG SER 33 HG SER 33 58.768 -20.702 -0.469 247 H GLY 34 H GLY 34 61.474 -18.548 1.235 248 HA2 GLY 34 HA3 GLY 34 64.051 -18.961 0.914 249 HA3 GLY 34 HA2 GLY 34 63.449 -19.936 -0.426 250 H ARG 35 H ARG 35 63.016 -16.665 0.939 251 HA ARG 35 HA ARG 35 63.749 -15.438 -1.541 252 HB2 ARG 35 HB3 ARG 35 61.538 -14.231 -1.790 253 HB3 ARG 35 HB2 ARG 35 61.549 -15.926 -2.256 254 HG2 ARG 35 HG3 ARG 35 60.836 -16.015 0.395 255 HG3 ARG 35 HG2 ARG 35 60.038 -14.560 -0.195 256 HD2 ARG 35 HD3 ARG 35 59.817 -17.329 -1.364 257 HD3 ARG 35 HD2 ARG 35 58.573 -16.476 -0.449 258 HE ARG 35 HE ARG 35 59.004 -14.791 -2.481 259 HH11 ARG 35 HH11 ARG 35 58.470 -18.241 -2.429 260 HH12 ARG 35 HH12 ARG 35 57.721 -18.273 -3.989 261 HH21 ARG 35 HH21 ARG 35 58.022 -14.834 -4.534 262 HH22 ARG 35 HH22 ARG 35 57.468 -16.339 -5.185 263 HA PRO 36 HA PRO 36 64.604 -12.140 1.261 264 HB2 PRO 36 HB3 PRO 36 64.885 -10.072 -0.406 265 HB3 PRO 36 HB2 PRO 36 66.008 -11.438 -0.444 266 HG2 PRO 36 HG3 PRO 36 63.676 -10.856 -2.227 267 HG3 PRO 36 HG2 PRO 36 65.300 -11.416 -2.662 268 HD2 PRO 36 HD3 PRO 36 63.122 -13.067 -2.430 269 HD3 PRO 36 HD2 PRO 36 64.800 -13.604 -2.189 270 HA PRO 37 HA PRO 37 60.311 -10.872 2.130 271 HB2 PRO 37 HB3 PRO 37 61.363 -9.205 4.209 272 HB3 PRO 37 HB2 PRO 37 60.506 -10.742 4.369 273 HG2 PRO 37 HG3 PRO 37 63.393 -10.184 4.470 274 HG3 PRO 37 HG2 PRO 37 62.486 -11.557 5.125 275 HD2 PRO 37 HD3 PRO 37 64.113 -11.757 2.965 276 HD3 PRO 37 HD2 PRO 37 62.667 -12.763 3.172 277 HA PRO 38 HA PRO 38 60.305 -6.946 0.082 278 HB2 PRO 38 HB3 PRO 38 57.828 -6.095 0.690 279 HB3 PRO 38 HB2 PRO 38 58.106 -7.466 -0.393 280 HG2 PRO 38 HG3 PRO 38 57.381 -7.471 2.511 281 HG3 PRO 38 HG2 PRO 38 56.724 -8.455 1.193 282 HD2 PRO 38 HD3 PRO 38 58.614 -9.363 2.926 283 HD3 PRO 38 HD2 PRO 38 58.482 -9.931 1.250 284 H SER 39 H SER 39 59.152 -4.624 0.749 285 HA SER 39 HA SER 39 60.890 -3.542 2.695 286 HB2 SER 39 HB3 SER 39 59.726 -2.379 0.688 287 HB3 SER 39 HB2 SER 39 58.373 -2.160 1.797 288 HG SER 39 HG SER 39 59.455 -0.453 2.380 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 51.744 22.559 12.151 2 H2 HIS 1 H2 HIS 1 52.672 21.170 12.545 3 H3 HIS 1 H3 HIS 1 51.058 20.997 11.988 4 HA HIS 1 HA HIS 1 51.585 21.640 9.863 5 HB2 HIS 1 HB3 HIS 1 53.160 23.464 10.913 6 HB3 HIS 1 HB2 HIS 1 54.416 22.264 10.624 7 HD1 HIS 1 HD1 HIS 1 55.597 23.515 8.761 8 HD2 HIS 1 HD2 HIS 1 51.551 22.925 8.022 9 HE1 HIS 1 HE1 HIS 1 55.251 24.172 6.359 10 HE2 HIS 1 HE2 HIS 1 52.812 23.724 5.911 11 H GLY 2 H GLY 2 51.359 19.483 9.402 12 HA2 GLY 2 HA3 GLY 2 53.840 17.883 9.535 13 HA3 GLY 2 HA2 GLY 2 52.268 17.190 9.906 14 H GLU 3 H GLU 3 51.473 15.991 8.325 15 HA GLU 3 HA GLU 3 50.991 15.169 6.261 16 HB2 GLU 3 HB3 GLU 3 51.379 18.073 5.526 17 HB3 GLU 3 HB2 GLU 3 50.790 16.857 4.402 18 HG2 GLU 3 HG3 GLU 3 48.872 16.439 5.854 19 HG3 GLU 3 HG2 GLU 3 49.463 17.658 6.982 20 H GLY 4 H GLY 4 51.896 15.163 3.859 21 HA2 GLY 4 HA3 GLY 4 54.845 15.229 4.022 22 HA3 GLY 4 HA2 GLY 4 53.994 13.849 3.350 23 H THR 5 H THR 5 55.896 15.080 1.850 24 HA THR 5 HA THR 5 54.319 16.014 -0.393 25 HB THR 5 HB THR 5 55.991 17.957 -0.707 26 HG1 THR 5 HG1 THR 5 56.770 18.764 1.299 27 HG21 THR 5 HG21 THR 5 53.493 17.958 0.281 28 HG22 THR 5 HG22 THR 5 54.468 19.412 0.065 29 HG23 THR 5 HG23 THR 5 54.374 18.641 1.649 30 H PHE 6 H PHE 6 56.026 13.713 0.321 31 HA PHE 6 HA PHE 6 57.313 13.341 -2.137 32 HB2 PHE 6 HB3 PHE 6 59.660 13.410 -1.510 33 HB3 PHE 6 HB2 PHE 6 58.926 14.984 -1.222 34 HD1 PHE 6 HD1 PHE 6 57.854 15.120 1.278 35 HD2 PHE 6 HD2 PHE 6 61.149 12.714 0.070 36 HE1 PHE 6 HE1 PHE 6 58.665 15.070 3.600 37 HE2 PHE 6 HE2 PHE 6 61.966 12.659 2.390 38 HZ PHE 6 HZ PHE 6 60.721 13.838 4.159 39 H THR 7 H THR 7 57.273 12.517 1.292 40 HA THR 7 HA THR 7 57.128 9.688 0.554 41 HB THR 7 HB THR 7 58.784 10.464 2.926 42 HG1 THR 7 HG1 THR 7 60.616 10.447 1.554 43 HG21 THR 7 HG21 THR 7 60.038 8.418 2.276 44 HG22 THR 7 HG22 THR 7 58.815 8.130 1.035 45 HG23 THR 7 HG23 THR 7 58.359 8.132 2.739 46 H SER 8 H SER 8 55.083 9.295 1.198 47 HA SER 8 HA SER 8 54.498 9.311 4.007 48 HB2 SER 8 HB3 SER 8 53.855 11.645 2.638 49 HB3 SER 8 HB2 SER 8 52.329 10.763 2.717 50 HG SER 8 HG SER 8 52.902 10.494 5.038 51 H ASP 9 H ASP 9 53.386 8.808 0.700 52 HA ASP 9 HA ASP 9 51.264 7.024 1.607 53 HB2 ASP 9 HB3 ASP 9 51.962 8.369 -0.945 54 HB3 ASP 9 HB2 ASP 9 51.172 6.801 -1.081 55 H LEU 10 H LEU 10 53.870 6.208 2.232 56 HA LEU 10 HA LEU 10 53.915 3.731 0.691 57 HB2 LEU 10 HB3 LEU 10 56.376 3.596 1.206 58 HB3 LEU 10 HB2 LEU 10 55.887 4.743 -0.025 59 HG LEU 10 HG LEU 10 57.654 5.614 1.480 60 HD11 LEU 10 HD11 LEU 10 55.445 6.909 0.493 61 HD12 LEU 10 HD12 LEU 10 56.883 7.679 1.160 62 HD13 LEU 10 HD13 LEU 10 55.472 7.406 2.184 63 HD21 LEU 10 HD21 LEU 10 57.352 5.965 3.748 64 HD22 LEU 10 HD22 LEU 10 56.588 4.394 3.502 65 HD23 LEU 10 HD23 LEU 10 55.595 5.845 3.638 66 H SER 11 H SER 11 52.897 4.906 3.326 67 HA SER 11 HA SER 11 53.814 2.702 5.005 68 HB2 SER 11 HB3 SER 11 54.613 4.720 6.017 69 HB3 SER 11 HB2 SER 11 53.069 5.525 5.735 70 H LYS 12 H LYS 12 51.214 4.633 3.820 71 HA LYS 12 HA LYS 12 49.254 2.785 4.988 72 HB2 LYS 12 HB3 LYS 12 49.270 5.745 4.607 73 HB3 LYS 12 HB2 LYS 12 47.761 4.860 4.650 74 HG2 LYS 12 HG3 LYS 12 47.896 4.486 6.863 75 HG3 LYS 12 HG2 LYS 12 49.637 4.206 6.774 76 HD2 LYS 12 HD3 LYS 12 49.190 6.191 8.096 77 HD3 LYS 12 HD2 LYS 12 50.007 6.629 6.594 78 HE2 LYS 12 HE2 LYS 12 47.780 7.168 5.620 79 HE3 LYS 12 HE3 LYS 12 47.066 6.881 7.206 80 HZ1 LYS 12 HZ1 LYS 12 48.824 9.069 6.332 81 HZ2 LYS 12 HZ2 LYS 12 48.820 8.612 7.960 82 HZ3 LYS 12 HZ3 LYS 12 47.389 9.139 7.227 83 H GLN 13 H GLN 13 50.596 4.083 2.195 84 HA GLN 13 HA GLN 13 48.269 3.234 0.614 85 HB2 GLN 13 HB3 GLN 13 48.663 5.638 0.503 86 HB3 GLN 13 HB2 GLN 13 50.304 5.346 -0.041 87 HG2 GLN 13 HG3 GLN 13 49.343 5.722 -2.052 88 HG3 GLN 13 HG2 GLN 13 49.034 3.990 -1.932 89 HE21 GLN 13 HE21 GLN 13 46.931 3.423 -0.855 90 HE22 GLN 13 HE22 GLN 13 45.550 4.385 -1.278 91 H MET 14 H MET 14 51.818 3.284 0.773 92 HA MET 14 HA MET 14 51.763 1.275 -1.397 93 HB2 MET 14 HB3 MET 14 53.627 2.170 -2.221 94 HB3 MET 14 HB2 MET 14 53.521 3.443 -1.021 95 HG2 MET 14 HG3 MET 14 54.914 2.223 0.487 96 HG3 MET 14 HG2 MET 14 54.887 0.801 -0.570 97 HE1 MET 14 HE1 MET 14 57.745 0.719 -0.665 98 HE2 MET 14 HE2 MET 14 57.403 1.859 0.636 99 HE3 MET 14 HE3 MET 14 58.580 2.272 -0.613 100 H GLU 15 H GLU 15 52.107 1.794 1.918 101 HA GLU 15 HA GLU 15 53.415 -0.749 2.361 102 HB2 GLU 15 HB3 GLU 15 53.247 1.629 3.832 103 HB3 GLU 15 HB2 GLU 15 52.348 0.437 4.756 104 HG2 GLU 15 HG3 GLU 15 54.292 -1.056 4.673 105 HG3 GLU 15 HG2 GLU 15 55.194 0.186 3.806 106 H GLU 16 H GLU 16 50.268 0.901 2.520 107 HA GLU 16 HA GLU 16 48.767 -0.994 3.890 108 HB2 GLU 16 HB3 GLU 16 48.234 1.182 2.137 109 HB3 GLU 16 HB2 GLU 16 47.265 -0.184 1.599 110 HG2 GLU 16 HG3 GLU 16 46.404 -0.430 3.897 111 HG3 GLU 16 HG2 GLU 16 47.304 1.012 4.359 112 H GLU 17 H GLU 17 49.995 -0.969 0.629 113 HA GLU 17 HA GLU 17 48.874 -3.560 -0.041 114 HB2 GLU 17 HB3 GLU 17 49.454 -3.084 -2.209 115 HB3 GLU 17 HB2 GLU 17 49.275 -1.453 -1.590 116 HG2 GLU 17 HG3 GLU 17 51.744 -1.504 -1.120 117 HG3 GLU 17 HG2 GLU 17 51.806 -2.977 -2.056 118 H DAL 18 H ALA 18 51.891 -1.996 0.798 119 HA DAL 18 HA ALA 18 53.843 -2.815 1.631 120 HB1 DAL 18 HB1 ALA 18 53.330 -4.315 -0.855 121 HB2 DAL 18 HB2 ALA 18 54.566 -4.978 0.216 122 HB3 DAL 18 HB3 ALA 18 54.717 -3.328 -0.389 123 H VAL 19 H VAL 19 51.652 -3.536 3.075 124 HA VAL 19 HA VAL 19 52.579 -5.799 4.531 125 HB VAL 19 HB VAL 19 49.895 -4.409 4.708 126 HG11 VAL 19 HG11 VAL 19 49.687 -6.425 5.873 127 HG12 VAL 19 HG12 VAL 19 50.108 -5.249 7.118 128 HG13 VAL 19 HG13 VAL 19 51.338 -6.345 6.488 129 HG21 VAL 19 HG21 VAL 19 52.308 -3.228 5.107 130 HG22 VAL 19 HG22 VAL 19 51.947 -3.837 6.724 131 HG23 VAL 19 HG23 VAL 19 50.811 -2.753 5.914 132 H ARG 20 H ARG 20 50.116 -5.209 2.098 133 HA ARG 20 HA ARG 20 48.753 -7.670 2.333 134 HB2 ARG 20 HB3 ARG 20 49.067 -5.841 -0.059 135 HB3 ARG 20 HB2 ARG 20 47.946 -7.193 0.028 136 HG2 ARG 20 HG3 ARG 20 47.798 -5.151 2.170 137 HG3 ARG 20 HG2 ARG 20 47.213 -4.708 0.564 138 HD2 ARG 20 HD3 ARG 20 45.302 -5.572 1.504 139 HD3 ARG 20 HD2 ARG 20 45.964 -7.000 0.715 140 HE ARG 20 HE ARG 20 47.009 -7.065 3.238 141 HH11 ARG 20 HH11 ARG 20 43.781 -6.924 1.914 142 HH12 ARG 20 HH12 ARG 20 43.066 -7.778 3.240 143 HH21 ARG 20 HH21 ARG 20 46.068 -8.188 4.982 144 HH22 ARG 20 HH22 ARG 20 44.363 -8.495 4.981 145 H LEU 21 H LEU 21 51.615 -6.637 0.526 146 HA LEU 21 HA LEU 21 51.856 -9.309 -0.643 147 HB2 LEU 21 HB3 LEU 21 53.656 -6.919 -0.977 148 HB3 LEU 21 HB2 LEU 21 53.706 -8.405 -1.914 149 HG LEU 21 HG LEU 21 51.452 -6.416 -1.870 150 HD11 LEU 21 HD11 LEU 21 53.807 -6.151 -3.160 151 HD12 LEU 21 HD12 LEU 21 52.276 -5.519 -3.772 152 HD13 LEU 21 HD13 LEU 21 52.889 -7.067 -4.356 153 HD21 LEU 21 HD21 LEU 21 50.863 -7.944 -3.948 154 HD22 LEU 21 HD22 LEU 21 50.304 -8.326 -2.321 155 HD23 LEU 21 HD23 LEU 21 51.713 -9.152 -2.985 156 H TYR 22 H TYR 22 53.231 -7.326 1.856 157 HA TYR 22 HA TYR 22 55.556 -8.886 2.331 158 HB2 TYR 22 HB3 TYR 22 55.614 -6.744 3.274 159 HB3 TYR 22 HB2 TYR 22 53.977 -6.858 3.875 160 HD1 TYR 22 HD2 TYR 22 56.855 -9.172 4.305 161 HD2 TYR 22 HD1 TYR 22 54.087 -6.505 6.111 162 HE1 TYR 22 HE2 TYR 22 57.690 -9.818 6.524 163 HE2 TYR 22 HE1 TYR 22 54.899 -7.136 8.329 164 HH TYR 22 HH TYR 22 56.147 -9.404 9.266 165 H ILE 23 H ILE 23 52.316 -8.707 3.650 166 HA ILE 23 HA ILE 23 52.632 -10.903 5.417 167 HB ILE 23 HB ILE 23 50.129 -9.673 4.239 168 HG12 ILE 23 HG12 ILE 23 51.630 -8.258 5.739 169 HG13 ILE 23 HG13 ILE 23 49.956 -8.421 6.247 170 HG21 ILE 23 HG21 ILE 23 49.300 -10.836 6.503 171 HG22 ILE 23 HG22 ILE 23 50.572 -11.962 6.031 172 HG23 ILE 23 HG23 ILE 23 49.240 -11.622 4.926 173 HD11 ILE 23 HD11 ILE 23 50.682 -10.205 7.820 174 HD12 ILE 23 HD12 ILE 23 51.363 -8.615 8.162 175 HD13 ILE 23 HD13 ILE 23 52.350 -9.847 7.375 176 H GLN 24 H GLN 24 51.837 -10.447 2.035 177 HA GLN 24 HA GLN 24 50.831 -13.061 1.510 178 HB2 GLN 24 HB3 GLN 24 50.562 -11.195 -0.079 179 HB3 GLN 24 HB2 GLN 24 52.298 -11.148 -0.323 180 HG2 GLN 24 HG3 GLN 24 50.807 -13.670 -0.856 181 HG3 GLN 24 HG2 GLN 24 50.766 -12.356 -2.034 182 HE21 GLN 24 HE21 GLN 24 52.601 -14.898 -0.664 183 HE22 GLN 24 HE22 GLN 24 54.012 -14.714 -1.645 184 H TRP 25 H TRP 25 53.987 -11.518 1.311 185 HA TRP 25 HA TRP 25 55.578 -13.654 0.484 186 HB2 TRP 25 HB3 TRP 25 56.528 -11.456 0.606 187 HB3 TRP 25 HB2 TRP 25 56.106 -11.303 2.310 188 HD1 TRP 25 HD1 TRP 25 58.540 -13.202 0.033 189 HE1 TRP 25 HE1 TRP 25 60.587 -13.869 1.429 190 HE3 TRP 25 HE3 TRP 25 56.925 -11.657 4.613 191 HZ2 TRP 25 HZ2 TRP 25 61.423 -13.732 4.130 192 HZ3 TRP 25 HZ3 TRP 25 58.409 -11.935 6.546 193 HH2 TRP 25 HH2 TRP 25 60.601 -12.974 6.312 194 H LEU 26 H LEU 26 54.160 -12.796 3.539 195 HA LEU 26 HA LEU 26 55.530 -14.852 5.026 196 HB2 LEU 26 HB3 LEU 26 53.630 -12.651 5.614 197 HB3 LEU 26 HB2 LEU 26 53.577 -14.029 6.683 198 HG LEU 26 HG LEU 26 55.682 -11.962 6.373 199 HD11 LEU 26 HD11 LEU 26 54.790 -13.545 8.769 200 HD12 LEU 26 HD12 LEU 26 53.986 -12.070 8.225 201 HD13 LEU 26 HD13 LEU 26 55.672 -12.017 8.743 202 HD21 LEU 26 HD21 LEU 26 56.957 -13.924 5.834 203 HD22 LEU 26 HD22 LEU 26 56.242 -14.810 7.177 204 HD23 LEU 26 HD23 LEU 26 57.318 -13.451 7.492 205 H LYS 27 H LYS 27 52.451 -14.381 3.417 206 HA LYS 27 HA LYS 27 50.875 -16.311 4.594 207 HB2 LYS 27 HB3 LYS 27 50.910 -14.886 2.098 208 HB3 LYS 27 HB2 LYS 27 50.435 -16.554 1.810 209 HG2 LYS 27 HG3 LYS 27 48.401 -15.608 2.215 210 HG3 LYS 27 HG2 LYS 27 48.839 -16.121 3.847 211 HD2 LYS 27 HD3 LYS 27 49.637 -13.879 4.356 212 HD3 LYS 27 HD2 LYS 27 49.268 -13.358 2.710 213 HE2 LYS 27 HE2 LYS 27 47.166 -14.509 4.518 214 HE3 LYS 27 HE3 LYS 27 47.577 -12.795 4.548 215 HZ1 LYS 27 HZ1 LYS 27 46.590 -12.433 2.575 216 HZ2 LYS 27 HZ2 LYS 27 45.716 -13.829 2.960 217 HZ3 LYS 27 HZ3 LYS 27 47.051 -13.925 1.926 218 H GLU 28 H GLU 28 53.513 -16.726 2.328 219 HA GLU 28 HA GLU 28 53.054 -19.584 2.113 220 HB2 GLU 28 HB3 GLU 28 55.168 -19.489 0.716 221 HB3 GLU 28 HB2 GLU 28 53.793 -18.585 0.098 222 HG2 GLU 28 HG3 GLU 28 54.737 -16.527 0.680 223 HG3 GLU 28 HG2 GLU 28 55.918 -17.276 1.755 224 H GLY 29 H GLY 29 55.077 -17.356 3.885 225 HA2 GLY 29 HA3 GLY 29 55.785 -18.555 6.045 226 HA3 GLY 29 HA2 GLY 29 56.671 -19.598 4.928 227 H GLY 30 H GLY 30 56.730 -16.699 3.473 228 HA2 GLY 30 HA3 GLY 30 58.541 -15.336 3.037 229 HA3 GLY 30 HA2 GLY 30 58.237 -14.877 4.693 230 HA PRO 31 HA PRO 31 62.333 -16.232 5.518 231 HB2 PRO 31 HB3 PRO 31 62.280 -16.026 8.194 232 HB3 PRO 31 HB2 PRO 31 62.192 -14.602 7.151 233 HG2 PRO 31 HG3 PRO 31 60.011 -16.009 8.625 234 HG3 PRO 31 HG2 PRO 31 60.243 -14.276 8.350 235 HD2 PRO 31 HD3 PRO 31 58.535 -15.896 6.903 236 HD3 PRO 31 HD2 PRO 31 59.140 -14.353 6.368 237 H SER 32 H SER 32 60.702 -18.428 4.913 238 HA SER 32 HA SER 32 61.937 -20.453 6.541 239 HB2 SER 32 HB3 SER 32 59.025 -19.841 6.760 240 HB3 SER 32 HB2 SER 32 59.517 -21.535 6.776 241 HG SER 32 HG SER 32 59.534 -20.811 8.875 242 H SER 33 H SER 33 61.813 -19.525 3.730 243 HA SER 33 HA SER 33 61.688 -22.093 2.493 244 HB2 SER 33 HB3 SER 33 59.262 -20.691 2.573 245 HB3 SER 33 HB2 SER 33 59.887 -20.430 0.941 246 HG SER 33 HG SER 33 60.153 -22.745 0.824 247 H GLY 34 H GLY 34 63.536 -19.840 2.854 248 HA2 GLY 34 HA3 GLY 34 65.059 -18.603 1.655 249 HA3 GLY 34 HA2 GLY 34 64.853 -19.848 0.424 250 H ARG 35 H ARG 35 63.199 -16.951 1.686 251 HA ARG 35 HA ARG 35 62.820 -16.051 -1.067 252 HB2 ARG 35 HB3 ARG 35 60.776 -17.317 0.022 253 HB3 ARG 35 HB2 ARG 35 60.519 -15.770 0.816 254 HG2 ARG 35 HG3 ARG 35 59.338 -15.228 -0.989 255 HG3 ARG 35 HG2 ARG 35 60.894 -15.040 -1.799 256 HD2 ARG 35 HD3 ARG 35 60.736 -17.082 -2.861 257 HD3 ARG 35 HD2 ARG 35 59.630 -17.740 -1.657 258 HE ARG 35 HE ARG 35 57.869 -16.881 -2.847 259 HH11 ARG 35 HH11 ARG 35 60.833 -15.444 -4.002 260 HH12 ARG 35 HH12 ARG 35 60.079 -14.674 -5.358 261 HH21 ARG 35 HH21 ARG 35 56.876 -15.868 -4.629 262 HH22 ARG 35 HH22 ARG 35 57.832 -14.914 -5.714 263 HA PRO 36 HA PRO 36 64.425 -12.398 1.034 264 HB2 PRO 36 HB3 PRO 36 63.787 -11.173 -1.590 265 HB3 PRO 36 HB2 PRO 36 65.305 -11.171 -0.687 266 HG2 PRO 36 HG3 PRO 36 65.011 -12.682 -2.864 267 HG3 PRO 36 HG2 PRO 36 65.920 -13.268 -1.459 268 HD2 PRO 36 HD3 PRO 36 63.134 -13.931 -2.324 269 HD3 PRO 36 HD2 PRO 36 64.390 -15.000 -1.663 270 HA PRO 37 HA PRO 37 60.317 -10.848 1.993 271 HB2 PRO 37 HB3 PRO 37 61.548 -9.099 3.935 272 HB3 PRO 37 HB2 PRO 37 60.541 -10.523 4.210 273 HG2 PRO 37 HG3 PRO 37 63.258 -10.345 4.738 274 HG3 PRO 37 HG2 PRO 37 62.339 -11.847 4.579 275 HD2 PRO 37 HD3 PRO 37 64.209 -10.572 2.683 276 HD3 PRO 37 HD2 PRO 37 63.749 -12.276 2.846 277 HA PRO 38 HA PRO 38 60.250 -7.098 -0.359 278 HB2 PRO 38 HB3 PRO 38 57.925 -6.026 0.584 279 HB3 PRO 38 HB2 PRO 38 57.987 -7.356 -0.578 280 HG2 PRO 38 HG3 PRO 38 57.562 -7.443 2.383 281 HG3 PRO 38 HG2 PRO 38 56.738 -8.351 1.103 282 HD2 PRO 38 HD3 PRO 38 58.685 -9.447 2.607 283 HD3 PRO 38 HD2 PRO 38 58.455 -9.878 0.901 284 H SER 39 H SER 39 59.336 -4.656 0.293 285 HA SER 39 HA SER 39 60.503 -3.868 2.848 286 HB2 SER 39 HB3 SER 39 62.387 -3.721 1.307 287 HB3 SER 39 HB2 SER 39 61.428 -2.751 0.190 288 HG SER 39 HG SER 39 61.843 -1.053 1.351 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 58.143 15.879 12.933 2 H2 HIS 1 H2 HIS 1 56.852 16.020 14.054 3 H3 HIS 1 H3 HIS 1 56.522 15.878 12.376 4 HA HIS 1 HA HIS 1 57.514 13.861 14.252 5 HB2 HIS 1 HB3 HIS 1 55.067 14.471 12.763 6 HB3 HIS 1 HB2 HIS 1 55.596 12.804 12.564 7 HD1 HIS 1 HD1 HIS 1 56.715 12.469 15.497 8 HD2 HIS 1 HD2 HIS 1 52.972 13.956 14.474 9 HE1 HIS 1 HE1 HIS 1 55.268 12.095 17.519 10 HE2 HIS 1 HE2 HIS 1 52.985 12.921 16.845 11 H GLY 2 H GLY 2 56.851 14.323 10.769 12 HA2 GLY 2 HA3 GLY 2 59.377 13.082 10.087 13 HA3 GLY 2 HA2 GLY 2 57.962 12.122 9.675 14 H GLU 3 H GLU 3 59.756 15.041 9.001 15 HA GLU 3 HA GLU 3 57.972 15.812 6.846 16 HB2 GLU 3 HB3 GLU 3 60.362 17.006 8.167 17 HB3 GLU 3 HB2 GLU 3 59.997 17.503 6.520 18 HG2 GLU 3 HG3 GLU 3 58.681 19.031 7.455 19 HG3 GLU 3 HG2 GLU 3 57.559 17.701 7.740 20 H GLY 4 H GLY 4 58.575 15.927 4.649 21 HA2 GLY 4 HA3 GLY 4 60.911 15.337 3.408 22 HA3 GLY 4 HA2 GLY 4 60.280 13.749 3.820 23 H THR 5 H THR 5 60.365 16.107 1.485 24 HA THR 5 HA THR 5 57.775 15.384 0.329 25 HB THR 5 HB THR 5 58.766 17.172 -1.423 26 HG1 THR 5 HG1 THR 5 60.550 17.925 -0.607 27 HG21 THR 5 HG21 THR 5 57.861 18.890 0.507 28 HG22 THR 5 HG22 THR 5 57.062 17.373 0.920 29 HG23 THR 5 HG23 THR 5 56.869 18.062 -0.692 30 H PHE 6 H PHE 6 58.680 13.179 -0.026 31 HA PHE 6 HA PHE 6 59.297 12.781 -2.733 32 HB2 PHE 6 HB3 PHE 6 61.613 11.740 -2.327 33 HB3 PHE 6 HB2 PHE 6 61.512 13.496 -2.400 34 HD1 PHE 6 HD1 PHE 6 61.987 10.601 -0.201 35 HD2 PHE 6 HD2 PHE 6 61.938 14.846 -0.470 36 HE1 PHE 6 HE1 PHE 6 63.061 10.748 2.007 37 HE2 PHE 6 HE2 PHE 6 63.013 15.003 1.738 38 HZ PHE 6 HZ PHE 6 63.577 12.952 2.980 39 H THR 7 H THR 7 59.588 11.501 0.543 40 HA THR 7 HA THR 7 58.476 8.958 -0.436 41 HB THR 7 HB THR 7 59.824 7.911 1.499 42 HG1 THR 7 HG1 THR 7 61.214 9.129 2.474 43 HG21 THR 7 HG21 THR 7 61.915 7.782 0.154 44 HG22 THR 7 HG22 THR 7 61.194 8.934 -0.970 45 HG23 THR 7 HG23 THR 7 60.446 7.356 -0.721 46 H SER 8 H SER 8 56.575 8.552 0.452 47 HA SER 8 HA SER 8 56.084 8.773 3.242 48 HB2 SER 8 HB3 SER 8 54.462 10.538 3.286 49 HB3 SER 8 HB2 SER 8 55.906 11.179 2.503 50 HG SER 8 HG SER 8 54.349 11.765 1.139 51 H ASP 9 H ASP 9 54.864 8.320 -0.012 52 HA ASP 9 HA ASP 9 52.508 6.905 0.968 53 HB2 ASP 9 HB3 ASP 9 52.036 6.665 -1.528 54 HB3 ASP 9 HB2 ASP 9 52.025 8.305 -0.890 55 H LEU 10 H LEU 10 55.021 5.772 1.581 56 HA LEU 10 HA LEU 10 54.687 3.252 0.145 57 HB2 LEU 10 HB3 LEU 10 57.107 2.791 0.617 58 HB3 LEU 10 HB2 LEU 10 56.769 3.983 -0.624 59 HG LEU 10 HG LEU 10 58.669 4.586 0.867 60 HD11 LEU 10 HD11 LEU 10 56.738 6.186 -0.198 61 HD12 LEU 10 HD12 LEU 10 58.243 6.750 0.528 62 HD13 LEU 10 HD13 LEU 10 56.763 6.710 1.486 63 HD21 LEU 10 HD21 LEU 10 57.641 3.619 2.932 64 HD22 LEU 10 HD22 LEU 10 56.569 5.019 2.979 65 HD23 LEU 10 HD23 LEU 10 58.311 5.238 3.129 66 H SER 11 H SER 11 53.892 4.651 2.761 67 HA SER 11 HA SER 11 54.543 2.396 4.500 68 HB2 SER 11 HB3 SER 11 55.609 4.302 5.448 69 HB3 SER 11 HB2 SER 11 54.210 5.319 5.114 70 H LYS 12 H LYS 12 52.173 4.559 3.252 71 HA LYS 12 HA LYS 12 50.034 3.033 4.569 72 HB2 LYS 12 HB3 LYS 12 50.424 5.940 4.053 73 HB3 LYS 12 HB2 LYS 12 48.806 5.274 4.110 74 HG2 LYS 12 HG3 LYS 12 48.869 4.988 6.335 75 HG3 LYS 12 HG2 LYS 12 50.545 4.433 6.276 76 HD2 LYS 12 HD3 LYS 12 50.460 6.497 7.517 77 HD3 LYS 12 HD2 LYS 12 51.273 6.780 5.975 78 HE2 LYS 12 HE2 LYS 12 49.150 7.646 5.056 79 HE3 LYS 12 HE3 LYS 12 48.404 7.433 6.638 80 HZ1 LYS 12 HZ1 LYS 12 49.735 9.097 7.564 81 HZ2 LYS 12 HZ2 LYS 12 49.265 9.730 6.068 82 HZ3 LYS 12 HZ3 LYS 12 50.820 9.097 6.267 83 H GLN 13 H GLN 13 51.419 4.091 1.682 84 HA GLN 13 HA GLN 13 48.978 3.417 0.195 85 HB2 GLN 13 HB3 GLN 13 49.656 5.746 -0.047 86 HB3 GLN 13 HB2 GLN 13 51.235 5.227 -0.604 87 HG2 GLN 13 HG3 GLN 13 50.519 5.020 -2.689 88 HG3 GLN 13 HG2 GLN 13 49.159 4.019 -2.182 89 HE21 GLN 13 HE21 GLN 13 50.247 7.376 -2.370 90 HE22 GLN 13 HE22 GLN 13 48.675 8.055 -2.661 91 H MET 14 H MET 14 52.507 3.043 0.298 92 HA MET 14 HA MET 14 52.167 0.968 -1.779 93 HB2 MET 14 HB3 MET 14 54.113 1.586 -2.664 94 HB3 MET 14 HB2 MET 14 54.183 2.914 -1.522 95 HG2 MET 14 HG3 MET 14 55.438 1.595 0.025 96 HG3 MET 14 HG2 MET 14 55.224 0.146 -0.973 97 HE1 MET 14 HE1 MET 14 56.369 -0.472 -2.909 98 HE2 MET 14 HE2 MET 14 57.732 0.331 -3.688 99 HE3 MET 14 HE3 MET 14 56.087 0.878 -4.008 100 H GLU 15 H GLU 15 52.691 1.586 1.512 101 HA GLU 15 HA GLU 15 53.672 -1.081 2.043 102 HB2 GLU 15 HB3 GLU 15 53.790 1.350 3.428 103 HB3 GLU 15 HB2 GLU 15 52.755 0.309 4.395 104 HG2 GLU 15 HG3 GLU 15 54.508 -1.405 4.376 105 HG3 GLU 15 HG2 GLU 15 55.549 -0.319 3.461 106 H GLU 16 H GLU 16 50.733 0.922 2.142 107 HA GLU 16 HA GLU 16 49.035 -0.753 3.572 108 HB2 GLU 16 HB3 GLU 16 48.748 1.429 1.770 109 HB3 GLU 16 HB2 GLU 16 47.628 0.172 1.261 110 HG2 GLU 16 HG3 GLU 16 46.749 0.080 3.564 111 HG3 GLU 16 HG2 GLU 16 47.808 1.423 3.989 112 H GLU 17 H GLU 17 50.259 -0.947 0.320 113 HA GLU 17 HA GLU 17 48.868 -3.429 -0.278 114 HB2 GLU 17 HB3 GLU 17 49.383 -3.020 -2.464 115 HB3 GLU 17 HB2 GLU 17 49.471 -1.372 -1.874 116 HG2 GLU 17 HG3 GLU 17 51.938 -1.802 -1.512 117 HG3 GLU 17 HG2 GLU 17 51.723 -3.256 -2.459 118 H DAL 18 H ALA 18 52.028 -2.124 0.471 119 HA DAL 18 HA ALA 18 53.931 -3.082 1.255 120 HB1 DAL 18 HB1 ALA 18 54.414 -5.353 -0.086 121 HB2 DAL 18 HB2 ALA 18 54.680 -3.749 -0.767 122 HB3 DAL 18 HB3 ALA 18 53.201 -4.632 -1.145 123 H VAL 19 H VAL 19 51.635 -3.604 2.736 124 HA VAL 19 HA VAL 19 52.473 -5.788 4.340 125 HB VAL 19 HB VAL 19 49.860 -4.259 4.339 126 HG11 VAL 19 HG11 VAL 19 50.918 -6.429 6.071 127 HG12 VAL 19 HG12 VAL 19 49.261 -6.083 5.575 128 HG13 VAL 19 HG13 VAL 19 50.025 -5.113 6.835 129 HG21 VAL 19 HG21 VAL 19 51.230 -3.499 6.559 130 HG22 VAL 19 HG22 VAL 19 51.216 -2.611 5.034 131 HG23 VAL 19 HG23 VAL 19 52.538 -3.723 5.400 132 H ARG 20 H ARG 20 50.126 -5.362 1.773 133 HA ARG 20 HA ARG 20 48.724 -7.794 2.156 134 HB2 ARG 20 HB3 ARG 20 49.091 -6.199 -0.390 135 HB3 ARG 20 HB2 ARG 20 47.880 -7.444 -0.120 136 HG2 ARG 20 HG3 ARG 20 47.134 -5.939 1.852 137 HG3 ARG 20 HG2 ARG 20 48.034 -4.682 1.002 138 HD2 ARG 20 HD3 ARG 20 46.613 -5.710 -1.040 139 HD3 ARG 20 HD2 ARG 20 45.501 -6.019 0.294 140 HE ARG 20 HE ARG 20 46.048 -3.512 -0.911 141 HH11 ARG 20 HH11 ARG 20 45.358 -4.987 2.175 142 HH12 ARG 20 HH12 ARG 20 44.651 -3.554 2.843 143 HH21 ARG 20 HH21 ARG 20 45.117 -1.627 -0.037 144 HH22 ARG 20 HH22 ARG 20 44.513 -1.647 1.588 145 H LEU 21 H LEU 21 51.579 -6.858 0.299 146 HA LEU 21 HA LEU 21 51.878 -9.576 -0.729 147 HB2 LEU 21 HB3 LEU 21 53.806 -7.297 -1.056 148 HB3 LEU 21 HB2 LEU 21 53.638 -8.726 -2.065 149 HG LEU 21 HG LEU 21 51.599 -6.532 -1.809 150 HD11 LEU 21 HD11 LEU 21 52.448 -5.549 -3.673 151 HD12 LEU 21 HD12 LEU 21 53.039 -7.072 -4.336 152 HD13 LEU 21 HD13 LEU 21 53.941 -6.258 -3.058 153 HD21 LEU 21 HD21 LEU 21 51.677 -9.115 -3.304 154 HD22 LEU 21 HD22 LEU 21 50.798 -7.738 -3.970 155 HD23 LEU 21 HD23 LEU 21 50.357 -8.385 -2.388 156 H TYR 22 H TYR 22 53.140 -7.492 1.742 157 HA TYR 22 HA TYR 22 55.470 -8.977 2.371 158 HB2 TYR 22 HB3 TYR 22 55.392 -6.782 3.216 159 HB3 TYR 22 HB2 TYR 22 53.755 -6.967 3.799 160 HD1 TYR 22 HD2 TYR 22 56.750 -9.098 4.343 161 HD2 TYR 22 HD1 TYR 22 53.813 -6.537 6.022 162 HE1 TYR 22 HE2 TYR 22 57.590 -9.623 6.590 163 HE2 TYR 22 HE1 TYR 22 54.628 -7.045 8.267 164 HH TYR 22 HH TYR 22 56.563 -9.602 8.993 165 H ILE 23 H ILE 23 52.192 -8.810 3.612 166 HA ILE 23 HA ILE 23 52.472 -10.946 5.445 167 HB ILE 23 HB ILE 23 50.013 -9.810 4.096 168 HG12 ILE 23 HG12 ILE 23 51.370 -8.324 5.639 169 HG13 ILE 23 HG13 ILE 23 49.685 -8.552 6.089 170 HG21 ILE 23 HG21 ILE 23 49.114 -11.759 4.764 171 HG22 ILE 23 HG22 ILE 23 49.078 -10.953 6.333 172 HG23 ILE 23 HG23 ILE 23 50.390 -12.065 5.941 173 HD11 ILE 23 HD11 ILE 23 50.975 -8.672 8.068 174 HD12 ILE 23 HD12 ILE 23 52.112 -9.804 7.334 175 HD13 ILE 23 HD13 ILE 23 50.461 -10.317 7.690 176 H GLN 24 H GLN 24 51.832 -10.630 2.020 177 HA GLN 24 HA GLN 24 50.932 -13.289 1.536 178 HB2 GLN 24 HB3 GLN 24 50.794 -11.340 -0.077 179 HB3 GLN 24 HB2 GLN 24 52.512 -11.543 -0.361 180 HG2 GLN 24 HG3 GLN 24 51.392 -12.636 -2.124 181 HG3 GLN 24 HG2 GLN 24 52.031 -13.893 -1.063 182 HE21 GLN 24 HE21 GLN 24 50.691 -15.458 -0.540 183 HE22 GLN 24 HE22 GLN 24 48.966 -15.382 -0.588 184 H TRP 25 H TRP 25 54.060 -11.668 1.412 185 HA TRP 25 HA TRP 25 55.729 -13.806 0.749 186 HB2 TRP 25 HB3 TRP 25 56.597 -11.553 0.808 187 HB3 TRP 25 HB2 TRP 25 56.168 -11.382 2.510 188 HD1 TRP 25 HD1 TRP 25 58.701 -13.174 0.250 189 HE1 TRP 25 HE1 TRP 25 60.742 -13.799 1.675 190 HE3 TRP 25 HE3 TRP 25 56.938 -11.786 4.827 191 HZ2 TRP 25 HZ2 TRP 25 61.517 -13.696 4.396 192 HZ3 TRP 25 HZ3 TRP 25 58.390 -12.068 6.790 193 HH2 TRP 25 HH2 TRP 25 60.622 -13.020 6.578 194 H LEU 26 H LEU 26 54.129 -12.866 3.677 195 HA LEU 26 HA LEU 26 55.498 -14.799 5.336 196 HB2 LEU 26 HB3 LEU 26 53.441 -12.674 5.741 197 HB3 LEU 26 HB2 LEU 26 53.535 -13.966 6.915 198 HG LEU 26 HG LEU 26 55.582 -11.867 6.286 199 HD11 LEU 26 HD11 LEU 26 55.402 -11.328 8.570 200 HD12 LEU 26 HD12 LEU 26 54.563 -12.837 8.940 201 HD13 LEU 26 HD13 LEU 26 53.746 -11.577 8.013 202 HD21 LEU 26 HD21 LEU 26 57.082 -13.105 7.867 203 HD22 LEU 26 HD22 LEU 26 56.876 -13.864 6.290 204 HD23 LEU 26 HD23 LEU 26 56.011 -14.493 7.690 205 H LYS 27 H LYS 27 52.495 -14.491 3.555 206 HA LYS 27 HA LYS 27 50.869 -16.354 4.743 207 HB2 LYS 27 HB3 LYS 27 50.950 -15.027 2.279 208 HB3 LYS 27 HB2 LYS 27 50.831 -16.733 1.873 209 HG2 LYS 27 HG3 LYS 27 48.671 -16.723 2.338 210 HG3 LYS 27 HG2 LYS 27 48.999 -16.170 3.981 211 HD2 LYS 27 HD3 LYS 27 48.540 -14.001 3.484 212 HD3 LYS 27 HD2 LYS 27 49.155 -14.137 1.834 213 HE2 LYS 27 HE2 LYS 27 47.156 -14.832 1.000 214 HE3 LYS 27 HE3 LYS 27 46.696 -15.653 2.491 215 HZ1 LYS 27 HZ1 LYS 27 45.274 -13.842 2.379 216 HZ2 LYS 27 HZ2 LYS 27 46.473 -12.787 1.825 217 HZ3 LYS 27 HZ3 LYS 27 46.482 -13.303 3.435 218 H GLU 28 H GLU 28 53.700 -16.918 2.768 219 HA GLU 28 HA GLU 28 53.280 -19.806 2.829 220 HB2 GLU 28 HB3 GLU 28 55.742 -18.575 1.672 221 HB3 GLU 28 HB2 GLU 28 54.840 -19.986 1.137 222 HG2 GLU 28 HG3 GLU 28 53.054 -17.932 0.757 223 HG3 GLU 28 HG2 GLU 28 54.603 -17.198 0.347 224 H GLY 29 H GLY 29 55.143 -17.323 4.394 225 HA2 GLY 29 HA3 GLY 29 55.953 -18.004 6.639 226 HA3 GLY 29 HA2 GLY 29 56.654 -19.412 5.833 227 H GLY 30 H GLY 30 56.621 -16.308 4.310 228 HA2 GLY 30 HA3 GLY 30 58.569 -15.440 3.243 229 HA3 GLY 30 HA2 GLY 30 58.498 -14.701 4.827 230 HA PRO 31 HA PRO 31 62.481 -16.255 5.696 231 HB2 PRO 31 HB3 PRO 31 62.367 -16.557 8.376 232 HB3 PRO 31 HB2 PRO 31 62.313 -14.967 7.602 233 HG2 PRO 31 HG3 PRO 31 60.068 -16.618 8.687 234 HG3 PRO 31 HG2 PRO 31 60.337 -14.873 8.818 235 HD2 PRO 31 HD3 PRO 31 58.631 -16.020 7.030 236 HD3 PRO 31 HD2 PRO 31 59.407 -14.476 6.774 237 H SER 32 H SER 32 60.977 -18.334 4.644 238 HA SER 32 HA SER 32 62.309 -20.604 5.559 239 HB2 SER 32 HB3 SER 32 60.794 -20.362 7.525 240 HB3 SER 32 HB2 SER 32 59.412 -20.535 6.443 241 HG SER 32 HG SER 32 60.152 -22.615 5.922 242 H SER 33 H SER 33 61.602 -19.304 3.115 243 HA SER 33 HA SER 33 60.264 -21.546 1.771 244 HB2 SER 33 HB3 SER 33 58.576 -19.822 1.905 245 HB3 SER 33 HB2 SER 33 59.711 -18.606 1.307 246 HG SER 33 HG SER 33 58.100 -19.799 -0.183 247 H GLY 34 H GLY 34 62.336 -18.688 1.444 248 HA2 GLY 34 HA3 GLY 34 64.532 -19.465 0.330 249 HA3 GLY 34 HA2 GLY 34 63.460 -19.845 -1.018 250 H ARG 35 H ARG 35 62.072 -17.206 0.283 251 HA ARG 35 HA ARG 35 63.693 -15.365 -1.347 252 HB2 ARG 35 HB3 ARG 35 61.590 -14.116 -1.779 253 HB3 ARG 35 HB2 ARG 35 61.564 -15.748 -2.430 254 HG2 ARG 35 HG3 ARG 35 60.435 -16.221 -0.056 255 HG3 ARG 35 HG2 ARG 35 59.967 -14.537 -0.268 256 HD2 ARG 35 HD3 ARG 35 58.215 -15.788 -1.212 257 HD3 ARG 35 HD2 ARG 35 59.160 -15.201 -2.579 258 HE ARG 35 HE ARG 35 59.990 -17.796 -1.721 259 HH11 ARG 35 HH11 ARG 35 57.611 -16.086 -3.618 260 HH12 ARG 35 HH12 ARG 35 57.283 -17.435 -4.653 261 HH21 ARG 35 HH21 ARG 35 59.561 -19.572 -3.082 262 HH22 ARG 35 HH22 ARG 35 58.389 -19.415 -4.348 263 HA PRO 36 HA PRO 36 63.884 -12.794 2.243 264 HB2 PRO 36 HB3 PRO 36 64.517 -10.436 1.155 265 HB3 PRO 36 HB2 PRO 36 65.617 -11.816 1.052 266 HG2 PRO 36 HG3 PRO 36 63.822 -10.662 -1.024 267 HG3 PRO 36 HG2 PRO 36 65.424 -11.397 -1.203 268 HD2 PRO 36 HD3 PRO 36 62.957 -12.651 -1.676 269 HD3 PRO 36 HD2 PRO 36 64.531 -13.459 -1.523 270 HA PRO 37 HA PRO 37 60.143 -10.507 2.800 271 HB2 PRO 37 HB3 PRO 37 61.198 -8.605 4.631 272 HB3 PRO 37 HB2 PRO 37 60.432 -10.152 5.009 273 HG2 PRO 37 HG3 PRO 37 63.120 -9.516 5.425 274 HG3 PRO 37 HG2 PRO 37 62.425 -11.143 5.424 275 HD2 PRO 37 HD3 PRO 37 63.930 -9.722 3.281 276 HD3 PRO 37 HD2 PRO 37 63.893 -11.452 3.684 277 HA PRO 38 HA PRO 38 60.242 -6.976 0.090 278 HB2 PRO 38 HB3 PRO 38 57.716 -6.076 0.530 279 HB3 PRO 38 HB2 PRO 38 58.077 -7.494 -0.463 280 HG2 PRO 38 HG3 PRO 38 57.178 -7.361 2.389 281 HG3 PRO 38 HG2 PRO 38 56.639 -8.443 1.094 282 HD2 PRO 38 HD3 PRO 38 58.402 -9.220 2.984 283 HD3 PRO 38 HD2 PRO 38 58.465 -9.831 1.318 284 H SER 39 H SER 39 59.059 -4.595 0.389 285 HA SER 39 HA SER 39 59.338 -2.541 1.326 286 HB2 SER 39 HB3 SER 39 58.636 -2.283 3.554 287 HB3 SER 39 HB2 SER 39 57.824 -3.757 3.030 288 HG SER 39 HG SER 39 59.090 -3.672 5.144 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 68.316 6.165 5.777 2 H2 HIS 1 H2 HIS 1 68.560 6.692 4.162 3 H3 HIS 1 H3 HIS 1 67.724 7.693 5.279 4 HA HIS 1 HA HIS 1 69.809 7.640 6.636 5 HB2 HIS 1 HB3 HIS 1 70.684 5.714 5.204 6 HB3 HIS 1 HB2 HIS 1 71.007 6.918 3.961 7 HD1 HIS 1 HD1 HIS 1 71.695 7.059 7.702 8 HD2 HIS 1 HD2 HIS 1 73.690 7.263 4.062 9 HE1 HIS 1 HE1 HIS 1 74.089 7.574 8.274 10 HE2 HIS 1 HE2 HIS 1 75.258 7.779 6.053 11 H GLY 2 H GLY 2 68.151 9.540 5.912 12 HA2 GLY 2 HA3 GLY 2 69.788 11.419 4.323 13 HA3 GLY 2 HA2 GLY 2 68.033 11.397 4.250 14 H GLU 3 H GLU 3 67.378 13.261 5.115 15 HA GLU 3 HA GLU 3 68.645 14.178 7.602 16 HB2 GLU 3 HB3 GLU 3 67.332 15.544 5.319 17 HB3 GLU 3 HB2 GLU 3 67.080 16.255 6.906 18 HG2 GLU 3 HG3 GLU 3 69.730 15.910 7.004 19 HG3 GLU 3 HG2 GLU 3 69.524 16.096 5.264 20 H GLY 4 H GLY 4 65.446 13.740 6.108 21 HA2 GLY 4 HA3 GLY 4 64.347 12.871 8.628 22 HA3 GLY 4 HA2 GLY 4 63.755 14.443 8.111 23 H THR 5 H THR 5 61.641 13.495 8.026 24 HA THR 5 HA THR 5 61.220 11.618 5.807 25 HB THR 5 HB THR 5 58.826 11.616 6.873 26 HG1 THR 5 HG1 THR 5 59.319 13.347 8.323 27 HG21 THR 5 HG21 THR 5 60.258 9.665 6.932 28 HG22 THR 5 HG22 THR 5 59.450 9.894 8.482 29 HG23 THR 5 HG23 THR 5 61.147 10.339 8.297 30 H PHE 6 H PHE 6 60.012 12.141 4.051 31 HA PHE 6 HA PHE 6 58.834 14.840 3.976 32 HB2 PHE 6 HB3 PHE 6 59.466 14.726 1.463 33 HB3 PHE 6 HB2 PHE 6 60.721 15.114 2.633 34 HD1 PHE 6 HD2 PHE 6 62.163 13.148 3.477 35 HD2 PHE 6 HD1 PHE 6 59.781 13.003 -0.047 36 HE1 PHE 6 HE2 PHE 6 63.527 11.279 2.637 37 HE2 PHE 6 HE1 PHE 6 61.139 11.133 -0.892 38 HZ PHE 6 HZ PHE 6 63.015 10.270 0.451 39 H THR 7 H THR 7 58.890 11.751 2.186 40 HA THR 7 HA THR 7 56.327 12.122 1.032 41 HB THR 7 HB THR 7 57.315 9.357 1.425 42 HG1 THR 7 HG1 THR 7 58.722 11.175 -0.229 43 HG21 THR 7 HG21 THR 7 56.104 9.020 -0.387 44 HG22 THR 7 HG22 THR 7 57.136 10.127 -1.293 45 HG23 THR 7 HG23 THR 7 55.713 10.740 -0.452 46 H SER 8 H SER 8 54.820 9.951 1.408 47 HA SER 8 HA SER 8 54.482 9.047 4.041 48 HB2 SER 8 HB3 SER 8 53.142 11.617 3.358 49 HB3 SER 8 HB2 SER 8 52.212 10.438 4.283 50 HG SER 8 HG SER 8 53.254 11.313 5.898 51 H ASP 9 H ASP 9 54.338 8.086 1.329 52 HA ASP 9 HA ASP 9 51.642 6.927 1.431 53 HB2 ASP 9 HB3 ASP 9 53.037 7.775 -1.119 54 HB3 ASP 9 HB2 ASP 9 51.450 7.021 -1.001 55 H LEU 10 H LEU 10 54.229 6.019 2.349 56 HA LEU 10 HA LEU 10 54.270 3.544 0.807 57 HB2 LEU 10 HB3 LEU 10 56.675 3.298 1.502 58 HB3 LEU 10 HB2 LEU 10 56.329 4.478 0.252 59 HG LEU 10 HG LEU 10 58.020 5.226 1.931 60 HD11 LEU 10 HD11 LEU 10 57.426 7.349 1.565 61 HD12 LEU 10 HD12 LEU 10 55.859 7.153 2.350 62 HD13 LEU 10 HD13 LEU 10 56.076 6.656 0.669 63 HD21 LEU 10 HD21 LEU 10 56.771 4.125 3.857 64 HD22 LEU 10 HD22 LEU 10 55.717 5.539 3.832 65 HD23 LEU 10 HD23 LEU 10 57.443 5.729 4.147 66 H SER 11 H SER 11 53.083 4.746 3.342 67 HA SER 11 HA SER 11 53.769 2.509 5.086 68 HB2 SER 11 HB3 SER 11 54.572 4.504 6.152 69 HB3 SER 11 HB2 SER 11 53.079 5.357 5.770 70 H LYS 12 H LYS 12 51.360 4.552 3.704 71 HA LYS 12 HA LYS 12 49.234 2.801 4.721 72 HB2 LYS 12 HB3 LYS 12 49.413 5.751 4.323 73 HB3 LYS 12 HB2 LYS 12 47.866 4.935 4.247 74 HG2 LYS 12 HG3 LYS 12 47.799 4.585 6.465 75 HG3 LYS 12 HG2 LYS 12 49.525 4.212 6.522 76 HD2 LYS 12 HD3 LYS 12 49.119 6.227 7.789 77 HD3 LYS 12 HD2 LYS 12 50.022 6.627 6.325 78 HE2 LYS 12 HE2 LYS 12 48.340 7.856 5.475 79 HE3 LYS 12 HE3 LYS 12 47.101 6.738 6.041 80 HZ1 LYS 12 HZ1 LYS 12 48.225 9.082 7.352 81 HZ2 LYS 12 HZ2 LYS 12 47.871 7.763 8.349 82 HZ3 LYS 12 HZ3 LYS 12 46.652 8.461 7.407 83 H GLN 13 H GLN 13 50.817 4.094 2.034 84 HA GLN 13 HA GLN 13 48.591 3.314 0.284 85 HB2 GLN 13 HB3 GLN 13 50.809 5.154 -0.498 86 HB3 GLN 13 HB2 GLN 13 49.256 4.935 -1.281 87 HG2 GLN 13 HG3 GLN 13 49.473 6.022 1.501 88 HG3 GLN 13 HG2 GLN 13 49.632 7.062 0.086 89 HE21 GLN 13 HE21 GLN 13 47.850 7.894 -0.738 90 HE22 GLN 13 HE22 GLN 13 46.232 7.355 -0.409 91 H MET 14 H MET 14 52.115 3.191 0.706 92 HA MET 14 HA MET 14 52.128 1.182 -1.463 93 HB2 MET 14 HB3 MET 14 54.098 1.984 -2.124 94 HB3 MET 14 HB2 MET 14 53.958 3.254 -0.925 95 HG2 MET 14 HG3 MET 14 55.146 1.945 0.685 96 HG3 MET 14 HG2 MET 14 55.147 0.543 -0.398 97 HE1 MET 14 HE1 MET 14 56.200 1.029 -3.068 98 HE2 MET 14 HE2 MET 14 56.991 -0.031 -1.899 99 HE3 MET 14 HE3 MET 14 57.945 1.126 -2.827 100 H GLU 15 H GLU 15 52.308 1.703 1.882 101 HA GLU 15 HA GLU 15 53.423 -0.909 2.407 102 HB2 GLU 15 HB3 GLU 15 53.271 1.469 3.866 103 HB3 GLU 15 HB2 GLU 15 52.218 0.346 4.710 104 HG2 GLU 15 HG3 GLU 15 54.057 -1.272 4.804 105 HG3 GLU 15 HG2 GLU 15 55.111 -0.101 4.015 106 H GLU 16 H GLU 16 50.351 0.871 2.264 107 HA GLU 16 HA GLU 16 48.670 -0.965 3.524 108 HB2 GLU 16 HB3 GLU 16 48.362 1.247 1.766 109 HB3 GLU 16 HB2 GLU 16 47.383 -0.069 1.135 110 HG2 GLU 16 HG3 GLU 16 46.346 -0.306 3.365 111 HG3 GLU 16 HG2 GLU 16 47.253 1.105 3.900 112 H GLU 17 H GLU 17 50.139 -0.957 0.365 113 HA GLU 17 HA GLU 17 48.980 -3.499 -0.414 114 HB2 GLU 17 HB3 GLU 17 49.698 -3.009 -2.531 115 HB3 GLU 17 HB2 GLU 17 49.580 -1.376 -1.898 116 HG2 GLU 17 HG3 GLU 17 52.019 -1.608 -1.275 117 HG3 GLU 17 HG2 GLU 17 52.035 -3.046 -2.268 118 H DAL 18 H ALA 18 51.967 -2.045 0.672 119 HA DAL 18 HA ALA 18 53.838 -2.925 1.613 120 HB1 DAL 18 HB1 ALA 18 54.821 -3.435 -0.357 121 HB2 DAL 18 HB2 ALA 18 53.452 -4.396 -0.916 122 HB3 DAL 18 HB3 ALA 18 54.605 -5.085 0.228 123 H VAL 19 H VAL 19 51.607 -3.580 2.975 124 HA VAL 19 HA VAL 19 52.385 -5.865 4.445 125 HB VAL 19 HB VAL 19 49.685 -4.501 4.446 126 HG11 VAL 19 HG11 VAL 19 51.027 -6.467 6.250 127 HG12 VAL 19 HG12 VAL 19 49.369 -6.443 5.650 128 HG13 VAL 19 HG13 VAL 19 49.866 -5.314 6.910 129 HG21 VAL 19 HG21 VAL 19 52.296 -3.639 5.418 130 HG22 VAL 19 HG22 VAL 19 51.042 -3.614 6.657 131 HG23 VAL 19 HG23 VAL 19 50.819 -2.709 5.158 132 H ARG 20 H ARG 20 50.169 -5.319 1.788 133 HA ARG 20 HA ARG 20 48.768 -7.776 1.984 134 HB2 ARG 20 HB3 ARG 20 49.246 -6.075 -0.475 135 HB3 ARG 20 HB2 ARG 20 48.021 -7.322 -0.298 136 HG2 ARG 20 HG3 ARG 20 47.992 -5.140 1.693 137 HG3 ARG 20 HG2 ARG 20 47.513 -4.732 0.045 138 HD2 ARG 20 HD3 ARG 20 46.055 -6.902 0.272 139 HD3 ARG 20 HD2 ARG 20 46.230 -6.586 1.997 140 HE ARG 20 HE ARG 20 44.682 -4.940 1.762 141 HH11 ARG 20 HH11 ARG 20 46.230 -5.409 -1.332 142 HH12 ARG 20 HH12 ARG 20 45.240 -4.245 -2.145 143 HH21 ARG 20 HH21 ARG 20 43.378 -3.409 0.693 144 HH22 ARG 20 HH22 ARG 20 43.620 -3.110 -0.996 145 H LEU 21 H LEU 21 51.717 -6.753 0.316 146 HA LEU 21 HA LEU 21 52.049 -9.450 -0.777 147 HB2 LEU 21 HB3 LEU 21 53.896 -7.093 -1.066 148 HB3 LEU 21 HB2 LEU 21 53.869 -8.556 -2.041 149 HG LEU 21 HG LEU 21 51.654 -6.523 -1.926 150 HD11 LEU 21 HD11 LEU 21 52.514 -5.475 -3.741 151 HD12 LEU 21 HD12 LEU 21 53.244 -6.950 -4.379 152 HD13 LEU 21 HD13 LEU 21 54.030 -6.071 -3.068 153 HD21 LEU 21 HD21 LEU 21 51.502 -9.159 -2.647 154 HD22 LEU 21 HD22 LEU 21 51.788 -8.356 -4.191 155 HD23 LEU 21 HD23 LEU 21 50.414 -7.882 -3.190 156 H TYR 22 H TYR 22 53.237 -7.408 1.756 157 HA TYR 22 HA TYR 22 55.577 -8.882 2.392 158 HB2 TYR 22 HB3 TYR 22 55.459 -6.696 3.267 159 HB3 TYR 22 HB2 TYR 22 53.820 -6.916 3.836 160 HD1 TYR 22 HD1 TYR 22 56.845 -9.015 4.357 161 HD2 TYR 22 HD2 TYR 22 53.856 -6.533 6.067 162 HE1 TYR 22 HE1 TYR 22 57.677 -9.572 6.599 163 HE2 TYR 22 HE2 TYR 22 54.664 -7.072 8.308 164 HH TYR 22 HH TYR 22 57.406 -8.078 9.092 165 H ILE 23 H ILE 23 52.278 -8.753 3.586 166 HA ILE 23 HA ILE 23 52.535 -10.913 5.392 167 HB ILE 23 HB ILE 23 50.098 -9.771 4.009 168 HG12 ILE 23 HG12 ILE 23 51.417 -8.309 5.609 169 HG13 ILE 23 HG13 ILE 23 49.722 -8.547 6.014 170 HG21 ILE 23 HG21 ILE 23 49.161 -10.970 6.243 171 HG22 ILE 23 HG22 ILE 23 50.439 -12.085 5.760 172 HG23 ILE 23 HG23 ILE 23 49.141 -11.689 4.633 173 HD11 ILE 23 HD11 ILE 23 51.234 -10.575 7.295 174 HD12 ILE 23 HD12 ILE 23 50.308 -9.260 8.020 175 HD13 ILE 23 HD13 ILE 23 52.005 -9.019 7.605 176 H GLN 24 H GLN 24 51.951 -10.563 1.956 177 HA GLN 24 HA GLN 24 51.078 -13.221 1.425 178 HB2 GLN 24 HB3 GLN 24 50.952 -11.253 -0.168 179 HB3 GLN 24 HB2 GLN 24 52.675 -11.439 -0.424 180 HG2 GLN 24 HG3 GLN 24 51.602 -12.523 -2.218 181 HG3 GLN 24 HG2 GLN 24 52.214 -13.790 -1.155 182 HE21 GLN 24 HE21 GLN 24 50.860 -15.418 -1.048 183 HE22 GLN 24 HE22 GLN 24 49.136 -15.316 -0.990 184 H TRP 25 H TRP 25 54.198 -11.578 1.353 185 HA TRP 25 HA TRP 25 55.886 -13.701 0.696 186 HB2 TRP 25 HB3 TRP 25 56.740 -11.445 0.796 187 HB3 TRP 25 HB2 TRP 25 56.289 -11.297 2.494 188 HD1 TRP 25 HD1 TRP 25 58.861 -13.045 0.248 189 HE1 TRP 25 HE1 TRP 25 60.887 -13.675 1.694 190 HE3 TRP 25 HE3 TRP 25 57.027 -11.727 4.815 191 HZ2 TRP 25 HZ2 TRP 25 61.623 -13.601 4.425 192 HZ3 TRP 25 HZ3 TRP 25 58.452 -12.023 6.795 193 HH2 TRP 25 HH2 TRP 25 60.695 -12.958 6.602 194 H LEU 26 H LEU 26 54.230 -12.807 3.608 195 HA LEU 26 HA LEU 26 55.582 -14.759 5.261 196 HB2 LEU 26 HB3 LEU 26 53.532 -12.634 5.674 197 HB3 LEU 26 HB2 LEU 26 53.600 -13.943 6.827 198 HG LEU 26 HG LEU 26 55.652 -11.831 6.272 199 HD11 LEU 26 HD11 LEU 26 53.821 -11.602 8.003 200 HD12 LEU 26 HD12 LEU 26 55.473 -11.393 8.583 201 HD13 LEU 26 HD13 LEU 26 54.619 -12.906 8.881 202 HD21 LEU 26 HD21 LEU 26 57.156 -13.115 7.811 203 HD22 LEU 26 HD22 LEU 26 56.957 -13.818 6.207 204 HD23 LEU 26 HD23 LEU 26 56.094 -14.503 7.583 205 H LYS 27 H LYS 27 52.591 -14.427 3.461 206 HA LYS 27 HA LYS 27 50.985 -16.336 4.631 207 HB2 LYS 27 HB3 LYS 27 51.167 -15.056 2.048 208 HB3 LYS 27 HB2 LYS 27 50.676 -16.734 1.866 209 HG2 LYS 27 HG3 LYS 27 48.696 -16.420 2.967 210 HG3 LYS 27 HG2 LYS 27 49.313 -15.067 3.918 211 HD2 LYS 27 HD3 LYS 27 49.208 -13.608 2.016 212 HD3 LYS 27 HD2 LYS 27 48.799 -14.954 0.949 213 HE2 LYS 27 HE2 LYS 27 46.636 -15.052 1.679 214 HE3 LYS 27 HE3 LYS 27 47.038 -14.447 3.285 215 HZ1 LYS 27 HZ1 LYS 27 47.591 -12.312 1.801 216 HZ2 LYS 27 HZ2 LYS 27 46.073 -12.591 2.493 217 HZ3 LYS 27 HZ3 LYS 27 46.349 -12.987 0.871 218 H GLU 28 H GLU 28 53.848 -16.784 2.709 219 HA GLU 28 HA GLU 28 53.437 -19.676 2.603 220 HB2 GLU 28 HB3 GLU 28 55.843 -18.269 1.493 221 HB3 GLU 28 HB2 GLU 28 55.094 -19.766 0.958 222 HG2 GLU 28 HG3 GLU 28 53.092 -17.970 0.539 223 HG3 GLU 28 HG2 GLU 28 54.525 -16.998 0.208 224 H GLY 29 H GLY 29 55.263 -17.251 4.295 225 HA2 GLY 29 HA3 GLY 29 56.070 -18.027 6.508 226 HA3 GLY 29 HA2 GLY 29 56.788 -19.391 5.645 227 H GLY 30 H GLY 30 56.765 -16.268 4.191 228 HA2 GLY 30 HA3 GLY 30 58.726 -15.348 3.203 229 HA3 GLY 30 HA2 GLY 30 58.606 -14.645 4.797 230 HA PRO 31 HA PRO 31 62.591 -16.151 5.731 231 HB2 PRO 31 HB3 PRO 31 62.423 -16.495 8.403 232 HB3 PRO 31 HB2 PRO 31 62.360 -14.894 7.654 233 HG2 PRO 31 HG3 PRO 31 60.116 -16.604 8.651 234 HG3 PRO 31 HG2 PRO 31 60.355 -14.857 8.831 235 HD2 PRO 31 HD3 PRO 31 58.709 -15.974 6.978 236 HD3 PRO 31 HD2 PRO 31 59.483 -14.422 6.768 237 H SER 32 H SER 32 61.408 -18.224 4.527 238 HA SER 32 HA SER 32 62.639 -20.481 5.592 239 HB2 SER 32 HB3 SER 32 61.073 -20.621 7.355 240 HB3 SER 32 HB2 SER 32 59.723 -20.202 6.300 241 HG SER 32 HG SER 32 59.569 -22.357 6.513 242 H SER 33 H SER 33 59.933 -19.268 3.693 243 HA SER 33 HA SER 33 59.528 -21.453 2.016 244 HB2 SER 33 HB3 SER 33 58.137 -19.318 2.194 245 HB3 SER 33 HB2 SER 33 59.318 -18.583 1.101 246 HG SER 33 HG SER 33 57.256 -20.201 0.519 247 H GLY 34 H GLY 34 62.025 -19.014 1.991 248 HA2 GLY 34 HA3 GLY 34 64.155 -19.702 0.982 249 HA3 GLY 34 HA2 GLY 34 63.217 -20.366 -0.353 250 H ARG 35 H ARG 35 62.163 -17.350 0.927 251 HA ARG 35 HA ARG 35 63.561 -15.886 -1.191 252 HB2 ARG 35 HB3 ARG 35 61.485 -14.652 -1.684 253 HB3 ARG 35 HB2 ARG 35 61.327 -16.368 -2.026 254 HG2 ARG 35 HG3 ARG 35 60.472 -16.148 0.588 255 HG3 ARG 35 HG2 ARG 35 59.852 -14.691 -0.186 256 HD2 ARG 35 HD3 ARG 35 59.530 -17.195 -1.706 257 HD3 ARG 35 HD2 ARG 35 58.579 -17.065 -0.225 258 HE ARG 35 HE ARG 35 58.112 -14.707 -1.460 259 HH11 ARG 35 HH11 ARG 35 57.898 -18.029 -2.511 260 HH12 ARG 35 HH12 ARG 35 56.620 -17.721 -3.638 261 HH21 ARG 35 HH21 ARG 35 56.432 -14.301 -2.944 262 HH22 ARG 35 HH22 ARG 35 55.788 -15.604 -3.884 263 HA PRO 36 HA PRO 36 64.022 -12.826 1.969 264 HB2 PRO 36 HB3 PRO 36 64.536 -10.637 0.519 265 HB3 PRO 36 HB2 PRO 36 65.630 -12.024 0.509 266 HG2 PRO 36 HG3 PRO 36 63.702 -11.120 -1.555 267 HG3 PRO 36 HG2 PRO 36 65.241 -11.975 -1.748 268 HD2 PRO 36 HD3 PRO 36 62.637 -13.099 -1.765 269 HD3 PRO 36 HD2 PRO 36 64.180 -13.976 -1.777 270 HA PRO 37 HA PRO 37 60.242 -10.608 2.578 271 HB2 PRO 37 HB3 PRO 37 61.410 -8.747 4.409 272 HB3 PRO 37 HB2 PRO 37 60.533 -10.235 4.783 273 HG2 PRO 37 HG3 PRO 37 63.240 -9.808 5.235 274 HG3 PRO 37 HG2 PRO 37 62.450 -11.391 5.159 275 HD2 PRO 37 HD3 PRO 37 64.055 -9.968 3.084 276 HD3 PRO 37 HD2 PRO 37 63.944 -11.704 3.435 277 HA PRO 38 HA PRO 38 60.368 -7.038 -0.067 278 HB2 PRO 38 HB3 PRO 38 57.926 -6.000 0.525 279 HB3 PRO 38 HB2 PRO 38 58.148 -7.421 -0.502 280 HG2 PRO 38 HG3 PRO 38 57.414 -7.274 2.395 281 HG3 PRO 38 HG2 PRO 38 56.750 -8.312 1.124 282 HD2 PRO 38 HD3 PRO 38 58.568 -9.197 2.914 283 HD3 PRO 38 HD2 PRO 38 58.504 -9.800 1.245 284 H SER 39 H SER 39 59.310 -4.600 0.326 285 HA SER 39 HA SER 39 60.942 -3.553 2.504 286 HB2 SER 39 HB3 SER 39 59.459 -1.777 0.612 287 HB3 SER 39 HB2 SER 39 61.050 -1.561 1.339 288 HG SER 39 HG SER 39 61.579 -2.134 -0.655 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 65.227 18.472 -9.739 2 H2 HIS 1 H2 HIS 1 65.607 18.684 -8.078 3 H3 HIS 1 H3 HIS 1 64.080 18.050 -8.537 4 HA HIS 1 HA HIS 1 64.949 16.061 -9.207 5 HB2 HIS 1 HB3 HIS 1 67.387 15.716 -9.452 6 HB3 HIS 1 HB2 HIS 1 66.790 16.983 -10.519 7 HD1 HIS 1 HD1 HIS 1 69.386 17.703 -10.520 8 HD2 HIS 1 HD2 HIS 1 67.318 18.269 -6.961 9 HE1 HIS 1 HE1 HIS 1 70.786 19.304 -9.177 10 HE2 HIS 1 HE2 HIS 1 69.556 19.565 -6.994 11 H GLY 2 H GLY 2 64.308 17.373 -6.669 12 HA2 GLY 2 HA3 GLY 2 65.477 15.367 -4.923 13 HA3 GLY 2 HA2 GLY 2 65.859 17.033 -4.513 14 H GLU 3 H GLU 3 63.445 18.272 -5.109 15 HA GLU 3 HA GLU 3 61.376 18.720 -4.276 16 HB2 GLU 3 HB3 GLU 3 61.242 16.066 -4.877 17 HB3 GLU 3 HB2 GLU 3 60.877 16.037 -3.157 18 HG2 GLU 3 HG3 GLU 3 58.784 16.261 -4.021 19 HG3 GLU 3 HG2 GLU 3 59.214 17.955 -3.794 20 H GLY 4 H GLY 4 62.526 16.185 -2.042 21 HA2 GLY 4 HA3 GLY 4 63.470 16.626 0.103 22 HA3 GLY 4 HA2 GLY 4 62.742 18.224 0.062 23 H THR 5 H THR 5 60.129 17.304 -0.767 24 HA THR 5 HA THR 5 59.139 16.543 1.838 25 HB THR 5 HB THR 5 57.986 18.271 0.532 26 HG1 THR 5 HG1 THR 5 56.822 16.761 1.955 27 HG21 THR 5 HG21 THR 5 57.256 18.073 -1.563 28 HG22 THR 5 HG22 THR 5 56.678 16.426 -1.309 29 HG23 THR 5 HG23 THR 5 58.381 16.718 -1.664 30 H PHE 6 H PHE 6 58.492 14.579 2.462 31 HA PHE 6 HA PHE 6 59.102 12.284 0.980 32 HB2 PHE 6 HB3 PHE 6 57.689 11.099 2.719 33 HB3 PHE 6 HB2 PHE 6 59.000 12.093 3.350 34 HD1 PHE 6 HD2 PHE 6 55.382 12.381 2.479 35 HD2 PHE 6 HD1 PHE 6 58.541 13.491 5.109 36 HE1 PHE 6 HE2 PHE 6 53.775 13.595 3.892 37 HE2 PHE 6 HE1 PHE 6 56.938 14.706 6.525 38 HZ PHE 6 HZ PHE 6 54.552 14.760 5.918 39 H THR 7 H THR 7 57.446 10.523 0.518 40 HA THR 7 HA THR 7 55.459 11.643 -1.273 41 HB THR 7 HB THR 7 55.143 8.961 -1.510 42 HG1 THR 7 HG1 THR 7 56.977 7.911 -1.069 43 HG21 THR 7 HG21 THR 7 56.007 9.248 -3.534 44 HG22 THR 7 HG22 THR 7 57.559 9.781 -2.892 45 HG23 THR 7 HG23 THR 7 56.234 10.932 -3.068 46 H SER 8 H SER 8 55.598 9.829 1.724 47 HA SER 8 HA SER 8 54.021 9.292 3.270 48 HB2 SER 8 HB3 SER 8 53.528 11.775 2.955 49 HB3 SER 8 HB2 SER 8 52.195 11.277 1.912 50 HG SER 8 HG SER 8 51.097 10.663 3.609 51 H ASP 9 H ASP 9 54.009 8.100 0.450 52 HA ASP 9 HA ASP 9 51.380 6.805 0.708 53 HB2 ASP 9 HB3 ASP 9 51.346 6.581 -1.787 54 HB3 ASP 9 HB2 ASP 9 51.226 8.245 -1.229 55 H LEU 10 H LEU 10 53.986 6.086 1.729 56 HA LEU 10 HA LEU 10 54.162 3.489 0.409 57 HB2 LEU 10 HB3 LEU 10 56.539 3.390 1.203 58 HB3 LEU 10 HB2 LEU 10 56.205 4.470 -0.138 59 HG LEU 10 HG LEU 10 57.798 5.392 1.551 60 HD11 LEU 10 HD11 LEU 10 57.155 7.450 0.985 61 HD12 LEU 10 HD12 LEU 10 55.583 7.276 1.769 62 HD13 LEU 10 HD13 LEU 10 55.827 6.658 0.136 63 HD21 LEU 10 HD21 LEU 10 56.457 4.370 3.488 64 HD22 LEU 10 HD22 LEU 10 55.431 5.797 3.343 65 HD23 LEU 10 HD23 LEU 10 57.147 5.979 3.708 66 H SER 11 H SER 11 52.850 4.854 2.814 67 HA SER 11 HA SER 11 53.540 2.767 4.736 68 HB2 SER 11 HB3 SER 11 54.244 4.883 5.652 69 HB3 SER 11 HB2 SER 11 52.710 5.626 5.201 70 H LYS 12 H LYS 12 51.109 4.634 3.148 71 HA LYS 12 HA LYS 12 49.014 2.871 4.208 72 HB2 LYS 12 HB3 LYS 12 49.096 5.798 3.624 73 HB3 LYS 12 HB2 LYS 12 47.585 4.914 3.582 74 HG2 LYS 12 HG3 LYS 12 47.494 4.717 5.820 75 HG3 LYS 12 HG2 LYS 12 49.234 4.417 5.924 76 HD2 LYS 12 HD3 LYS 12 48.745 6.492 7.046 77 HD3 LYS 12 HD2 LYS 12 49.627 6.838 5.556 78 HE2 LYS 12 HE2 LYS 12 47.414 7.263 4.457 79 HE3 LYS 12 HE3 LYS 12 46.667 7.128 6.049 80 HZ1 LYS 12 HZ1 LYS 12 47.383 9.435 5.098 81 HZ2 LYS 12 HZ2 LYS 12 48.902 8.995 5.695 82 HZ3 LYS 12 HZ3 LYS 12 47.578 9.089 6.743 83 H GLN 13 H GLN 13 50.680 3.934 1.502 84 HA GLN 13 HA GLN 13 48.525 2.992 -0.260 85 HB2 GLN 13 HB3 GLN 13 48.922 5.382 -0.498 86 HB3 GLN 13 HB2 GLN 13 50.617 5.073 -0.821 87 HG2 GLN 13 HG3 GLN 13 50.213 4.804 -2.979 88 HG3 GLN 13 HG2 GLN 13 49.020 3.553 -2.635 89 HE21 GLN 13 HE21 GLN 13 46.971 4.713 -1.527 90 HE22 GLN 13 HE22 GLN 13 46.312 5.983 -2.512 91 H MET 14 H MET 14 52.035 3.063 0.278 92 HA MET 14 HA MET 14 52.206 0.923 -1.754 93 HB2 MET 14 HB3 MET 14 54.161 1.759 -2.415 94 HB3 MET 14 HB2 MET 14 53.935 3.102 -1.312 95 HG2 MET 14 HG3 MET 14 55.133 1.963 0.415 96 HG3 MET 14 HG2 MET 14 55.215 0.487 -0.559 97 HE1 MET 14 HE1 MET 14 56.338 2.321 -3.640 98 HE2 MET 14 HE2 MET 14 55.856 0.746 -3.011 99 HE3 MET 14 HE3 MET 14 57.560 1.096 -3.300 100 H GLU 15 H GLU 15 52.211 1.658 1.547 101 HA GLU 15 HA GLU 15 53.420 -0.862 2.287 102 HB2 GLU 15 HB3 GLU 15 53.087 1.607 3.589 103 HB3 GLU 15 HB2 GLU 15 52.109 0.452 4.480 104 HG2 GLU 15 HG3 GLU 15 54.057 -1.005 4.700 105 HG3 GLU 15 HG2 GLU 15 55.036 0.170 3.828 106 H GLU 16 H GLU 16 50.288 0.810 2.009 107 HA GLU 16 HA GLU 16 48.642 -1.034 3.293 108 HB2 GLU 16 HB3 GLU 16 48.300 1.083 1.418 109 HB3 GLU 16 HB2 GLU 16 47.369 -0.296 0.852 110 HG2 GLU 16 HG3 GLU 16 46.295 -0.440 3.060 111 HG3 GLU 16 HG2 GLU 16 47.174 1.001 3.558 112 H GLU 17 H GLU 17 50.171 -1.105 0.160 113 HA GLU 17 HA GLU 17 49.120 -3.724 -0.517 114 HB2 GLU 17 HB3 GLU 17 49.860 -3.310 -2.643 115 HB3 GLU 17 HB2 GLU 17 49.670 -1.655 -2.094 116 HG2 GLU 17 HG3 GLU 17 52.087 -1.701 -1.459 117 HG3 GLU 17 HG2 GLU 17 52.206 -3.243 -2.277 118 H DAL 18 H ALA 18 52.030 -2.114 0.560 119 HA DAL 18 HA ALA 18 53.898 -2.894 1.597 120 HB1 DAL 18 HB1 ALA 18 54.972 -3.444 -0.313 121 HB2 DAL 18 HB2 ALA 18 53.645 -4.452 -0.893 122 HB3 DAL 18 HB3 ALA 18 54.770 -5.083 0.310 123 H VAL 19 H VAL 19 51.632 -3.577 2.888 124 HA VAL 19 HA VAL 19 52.420 -5.812 4.452 125 HB VAL 19 HB VAL 19 49.715 -4.455 4.375 126 HG11 VAL 19 HG11 VAL 19 49.405 -6.379 5.621 127 HG12 VAL 19 HG12 VAL 19 49.844 -5.198 6.856 128 HG13 VAL 19 HG13 VAL 19 51.045 -6.347 6.268 129 HG21 VAL 19 HG21 VAL 19 50.828 -2.640 5.055 130 HG22 VAL 19 HG22 VAL 19 52.307 -3.556 5.359 131 HG23 VAL 19 HG23 VAL 19 51.036 -3.503 6.580 132 H ARG 20 H ARG 20 50.164 -5.287 1.813 133 HA ARG 20 HA ARG 20 48.789 -7.744 1.991 134 HB2 ARG 20 HB3 ARG 20 49.295 -5.940 -0.384 135 HB3 ARG 20 HB2 ARG 20 48.212 -7.323 -0.410 136 HG2 ARG 20 HG3 ARG 20 47.596 -5.595 1.807 137 HG3 ARG 20 HG2 ARG 20 47.591 -4.699 0.287 138 HD2 ARG 20 HD3 ARG 20 46.036 -6.287 -0.677 139 HD3 ARG 20 HD2 ARG 20 46.095 -7.268 0.786 140 HE ARG 20 HE ARG 20 44.531 -4.920 0.355 141 HH11 ARG 20 HH11 ARG 20 46.191 -6.779 2.798 142 HH12 ARG 20 HH12 ARG 20 45.190 -6.209 4.091 143 HH21 ARG 20 HH21 ARG 20 43.214 -4.166 2.055 144 HH22 ARG 20 HH22 ARG 20 43.500 -4.726 3.668 145 H LEU 21 H LEU 21 51.786 -6.751 0.394 146 HA LEU 21 HA LEU 21 52.123 -9.457 -0.668 147 HB2 LEU 21 HB3 LEU 21 53.918 -7.059 -0.971 148 HB3 LEU 21 HB2 LEU 21 54.047 -8.579 -1.845 149 HG LEU 21 HG LEU 21 51.774 -6.621 -2.026 150 HD11 LEU 21 HD11 LEU 21 53.380 -7.359 -4.382 151 HD12 LEU 21 HD12 LEU 21 54.195 -6.364 -3.173 152 HD13 LEU 21 HD13 LEU 21 52.700 -5.801 -3.918 153 HD21 LEU 21 HD21 LEU 21 50.775 -8.692 -2.362 154 HD22 LEU 21 HD22 LEU 21 52.190 -9.348 -3.188 155 HD23 LEU 21 HD23 LEU 21 51.172 -8.156 -3.995 156 H TYR 22 H TYR 22 53.258 -7.409 1.878 157 HA TYR 22 HA TYR 22 55.576 -8.912 2.564 158 HB2 TYR 22 HB3 TYR 22 55.516 -6.729 3.427 159 HB3 TYR 22 HB2 TYR 22 53.850 -6.871 3.933 160 HD1 TYR 22 HD1 TYR 22 56.804 -9.035 4.605 161 HD2 TYR 22 HD2 TYR 22 53.773 -6.502 6.163 162 HE1 TYR 22 HE1 TYR 22 57.522 -9.590 6.888 163 HE2 TYR 22 HE2 TYR 22 54.469 -7.039 8.440 164 HH TYR 22 HH TYR 22 57.115 -8.037 9.379 165 H ILE 23 H ILE 23 52.249 -8.719 3.648 166 HA ILE 23 HA ILE 23 52.431 -10.864 5.491 167 HB ILE 23 HB ILE 23 50.031 -9.695 4.061 168 HG12 ILE 23 HG12 ILE 23 51.363 -8.215 5.642 169 HG13 ILE 23 HG13 ILE 23 49.657 -8.409 6.024 170 HG21 ILE 23 HG21 ILE 23 49.093 -11.629 4.716 171 HG22 ILE 23 HG22 ILE 23 49.018 -10.812 6.277 172 HG23 ILE 23 HG23 ILE 23 50.329 -11.939 5.934 173 HD11 ILE 23 HD11 ILE 23 50.898 -8.527 8.048 174 HD12 ILE 23 HD12 ILE 23 51.999 -9.725 7.371 175 HD13 ILE 23 HD13 ILE 23 50.316 -10.151 7.684 176 H GLN 24 H GLN 24 51.903 -10.512 2.041 177 HA GLN 24 HA GLN 24 50.995 -13.163 1.518 178 HB2 GLN 24 HB3 GLN 24 50.796 -11.352 -0.146 179 HB3 GLN 24 HB2 GLN 24 52.544 -11.256 -0.253 180 HG2 GLN 24 HG3 GLN 24 51.228 -13.860 -0.806 181 HG3 GLN 24 HG2 GLN 24 51.140 -12.583 -2.022 182 HE21 GLN 24 HE21 GLN 24 53.077 -14.975 -0.551 183 HE22 GLN 24 HE22 GLN 24 54.517 -14.702 -1.465 184 H TRP 25 H TRP 25 54.123 -11.547 1.504 185 HA TRP 25 HA TRP 25 55.808 -13.680 0.854 186 HB2 TRP 25 HB3 TRP 25 56.672 -11.419 0.985 187 HB3 TRP 25 HB2 TRP 25 56.214 -11.297 2.681 188 HD1 TRP 25 HD1 TRP 25 58.789 -13.006 0.415 189 HE1 TRP 25 HE1 TRP 25 60.798 -13.699 1.862 190 HE3 TRP 25 HE3 TRP 25 56.920 -11.804 4.998 191 HZ2 TRP 25 HZ2 TRP 25 61.505 -13.710 4.607 192 HZ3 TRP 25 HZ3 TRP 25 58.324 -12.167 6.984 193 HH2 TRP 25 HH2 TRP 25 60.564 -13.114 6.787 194 H LEU 26 H LEU 26 54.102 -12.796 3.737 195 HA LEU 26 HA LEU 26 55.417 -14.760 5.407 196 HB2 LEU 26 HB3 LEU 26 53.390 -12.613 5.787 197 HB3 LEU 26 HB2 LEU 26 53.402 -13.930 6.933 198 HG LEU 26 HG LEU 26 55.499 -11.846 6.450 199 HD11 LEU 26 HD11 LEU 26 55.279 -11.438 8.765 200 HD12 LEU 26 HD12 LEU 26 54.385 -12.937 9.019 201 HD13 LEU 26 HD13 LEU 26 53.638 -11.604 8.141 202 HD21 LEU 26 HD21 LEU 26 56.954 -13.164 8.001 203 HD22 LEU 26 HD22 LEU 26 56.776 -13.856 6.391 204 HD23 LEU 26 HD23 LEU 26 55.878 -14.537 7.745 205 H LYS 27 H LYS 27 52.454 -14.394 3.569 206 HA LYS 27 HA LYS 27 50.804 -16.281 4.691 207 HB2 LYS 27 HB3 LYS 27 51.076 -15.025 2.104 208 HB3 LYS 27 HB2 LYS 27 50.561 -16.696 1.924 209 HG2 LYS 27 HG3 LYS 27 48.491 -16.061 2.373 210 HG3 LYS 27 HG2 LYS 27 49.010 -15.629 4.004 211 HD2 LYS 27 HD3 LYS 27 49.583 -13.383 3.237 212 HD3 LYS 27 HD2 LYS 27 49.103 -13.814 1.594 213 HE2 LYS 27 HE2 LYS 27 47.277 -12.636 2.521 214 HE3 LYS 27 HE3 LYS 27 46.818 -14.338 2.532 215 HZ1 LYS 27 HZ1 LYS 27 46.284 -13.875 4.651 216 HZ2 LYS 27 HZ2 LYS 27 47.318 -12.541 4.753 217 HZ3 LYS 27 HZ3 LYS 27 47.936 -14.106 4.936 218 H GLU 28 H GLU 28 53.642 -16.795 2.709 219 HA GLU 28 HA GLU 28 53.211 -19.679 2.671 220 HB2 GLU 28 HB3 GLU 28 55.728 -18.494 1.622 221 HB3 GLU 28 HB2 GLU 28 54.746 -19.800 0.974 222 HG2 GLU 28 HG3 GLU 28 53.079 -17.684 0.656 223 HG3 GLU 28 HG2 GLU 28 54.655 -16.921 0.443 224 H GLY 29 H GLY 29 55.103 -17.267 4.332 225 HA2 GLY 29 HA3 GLY 29 55.853 -18.026 6.577 226 HA3 GLY 29 HA2 GLY 29 56.541 -19.425 5.745 227 H GLY 30 H GLY 30 56.592 -16.270 4.326 228 HA2 GLY 30 HA3 GLY 30 58.574 -15.410 3.311 229 HA3 GLY 30 HA2 GLY 30 58.486 -14.717 4.913 230 HA PRO 31 HA PRO 31 62.423 -16.357 5.817 231 HB2 PRO 31 HB3 PRO 31 62.241 -16.787 8.478 232 HB3 PRO 31 HB2 PRO 31 62.227 -15.161 7.782 233 HG2 PRO 31 HG3 PRO 31 59.933 -16.831 8.724 234 HG3 PRO 31 HG2 PRO 31 60.222 -15.101 8.955 235 HD2 PRO 31 HD3 PRO 31 58.547 -16.117 7.070 236 HD3 PRO 31 HD2 PRO 31 59.362 -14.580 6.907 237 H SER 32 H SER 32 61.476 -18.344 4.500 238 HA SER 32 HA SER 32 62.475 -20.675 5.667 239 HB2 SER 32 HB3 SER 32 60.095 -20.196 6.828 240 HB3 SER 32 HB2 SER 32 59.545 -21.090 5.409 241 HG SER 32 HG SER 32 60.537 -22.855 6.112 242 H SER 33 H SER 33 60.341 -19.211 3.303 243 HA SER 33 HA SER 33 60.612 -21.465 1.488 244 HB2 SER 33 HB3 SER 33 58.591 -19.660 1.888 245 HB3 SER 33 HB2 SER 33 59.380 -19.004 0.447 246 HG SER 33 HG SER 33 58.580 -21.712 0.728 247 H GLY 34 H GLY 34 62.933 -19.692 2.280 248 HA2 GLY 34 HA3 GLY 34 64.762 -18.726 1.287 249 HA3 GLY 34 HA2 GLY 34 64.347 -19.730 -0.101 250 H ARG 35 H ARG 35 62.128 -17.319 1.073 251 HA ARG 35 HA ARG 35 62.569 -15.796 -1.397 252 HB2 ARG 35 HB3 ARG 35 60.244 -16.790 -0.293 253 HB3 ARG 35 HB2 ARG 35 60.211 -15.102 0.198 254 HG2 ARG 35 HG3 ARG 35 59.039 -15.267 -1.853 255 HG3 ARG 35 HG2 ARG 35 60.584 -14.489 -2.201 256 HD2 ARG 35 HD3 ARG 35 60.518 -17.434 -2.422 257 HD3 ARG 35 HD2 ARG 35 59.596 -16.540 -3.631 258 HE ARG 35 HE ARG 35 61.990 -15.288 -3.640 259 HH11 ARG 35 HH11 ARG 35 61.058 -18.639 -3.925 260 HH12 ARG 35 HH12 ARG 35 62.409 -19.060 -4.920 261 HH21 ARG 35 HH21 ARG 35 63.768 -15.840 -4.952 262 HH22 ARG 35 HH22 ARG 35 63.948 -17.471 -5.504 263 HA PRO 36 HA PRO 36 64.263 -12.525 1.114 264 HB2 PRO 36 HB3 PRO 36 64.429 -10.607 -0.757 265 HB3 PRO 36 HB2 PRO 36 65.489 -12.023 -0.784 266 HG2 PRO 36 HG3 PRO 36 62.980 -11.511 -2.339 267 HG3 PRO 36 HG2 PRO 36 64.533 -12.148 -2.910 268 HD2 PRO 36 HD3 PRO 36 62.412 -13.743 -2.335 269 HD3 PRO 36 HD2 PRO 36 64.096 -14.269 -2.122 270 HA PRO 37 HA PRO 37 60.150 -10.913 2.285 271 HB2 PRO 37 HB3 PRO 37 61.462 -9.359 4.292 272 HB3 PRO 37 HB2 PRO 37 60.501 -10.827 4.506 273 HG2 PRO 37 HG3 PRO 37 63.416 -10.488 4.451 274 HG3 PRO 37 HG2 PRO 37 62.450 -11.803 5.130 275 HD2 PRO 37 HD3 PRO 37 63.953 -12.043 2.867 276 HD3 PRO 37 HD2 PRO 37 62.495 -13.002 3.179 277 HA PRO 38 HA PRO 38 60.398 -7.022 0.180 278 HB2 PRO 38 HB3 PRO 38 58.029 -5.960 0.912 279 HB3 PRO 38 HB2 PRO 38 58.148 -7.319 -0.215 280 HG2 PRO 38 HG3 PRO 38 57.530 -7.342 2.715 281 HG3 PRO 38 HG2 PRO 38 56.750 -8.233 1.399 282 HD2 PRO 38 HD3 PRO 38 58.600 -9.351 3.036 283 HD3 PRO 38 HD2 PRO 38 58.390 -9.841 1.343 284 H SER 39 H SER 39 59.477 -4.607 0.902 285 HA SER 39 HA SER 39 60.349 -3.987 3.605 286 HB2 SER 39 HB3 SER 39 62.065 -2.448 2.972 287 HB3 SER 39 HB2 SER 39 62.395 -3.948 2.109 288 HG SER 39 HG SER 39 61.327 -2.991 0.287 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 65.338 16.610 9.670 2 H2 HIS 1 H2 HIS 1 65.586 16.005 11.255 3 H3 HIS 1 H3 HIS 1 66.863 16.797 10.427 4 HA HIS 1 HA HIS 1 65.668 18.079 12.184 5 HB2 HIS 1 HB3 HIS 1 65.836 20.122 10.832 6 HB3 HIS 1 HB2 HIS 1 67.184 19.039 10.500 7 HD1 HIS 1 HD1 HIS 1 64.013 20.353 8.958 8 HD2 HIS 1 HD2 HIS 1 67.363 18.140 7.888 9 HE1 HIS 1 HE1 HIS 1 63.920 20.158 6.453 10 HE2 HIS 1 HE2 HIS 1 66.000 18.887 5.822 11 H GLY 2 H GLY 2 63.612 16.244 11.152 12 HA2 GLY 2 HA3 GLY 2 61.287 17.111 11.933 13 HA3 GLY 2 HA2 GLY 2 61.432 18.095 10.485 14 H GLU 3 H GLU 3 60.941 17.229 8.533 15 HA GLU 3 HA GLU 3 60.421 14.338 8.414 16 HB2 GLU 3 HB3 GLU 3 58.389 16.109 8.596 17 HB3 GLU 3 HB2 GLU 3 58.612 16.085 6.853 18 HG2 GLU 3 HG3 GLU 3 57.740 14.039 6.646 19 HG3 GLU 3 HG2 GLU 3 58.559 13.435 8.084 20 H GLY 4 H GLY 4 62.112 13.774 7.138 21 HA2 GLY 4 HA3 GLY 4 62.549 15.297 4.660 22 HA3 GLY 4 HA2 GLY 4 63.703 14.194 5.397 23 H THR 5 H THR 5 63.318 11.914 5.233 24 HA THR 5 HA THR 5 63.022 10.088 3.895 25 HB THR 5 HB THR 5 60.911 10.200 5.197 26 HG1 THR 5 HG1 THR 5 61.297 8.476 3.725 27 HG21 THR 5 HG21 THR 5 58.843 10.794 3.853 28 HG22 THR 5 HG22 THR 5 59.927 11.700 2.799 29 HG23 THR 5 HG23 THR 5 59.792 12.131 4.504 30 H PHE 6 H PHE 6 61.340 9.479 1.808 31 HA PHE 6 HA PHE 6 62.062 11.456 -0.254 32 HB2 PHE 6 HB3 PHE 6 62.343 9.466 -1.798 33 HB3 PHE 6 HB2 PHE 6 63.578 9.649 -0.559 34 HD1 PHE 6 HD2 PHE 6 63.280 8.274 1.594 35 HD2 PHE 6 HD1 PHE 6 61.219 7.457 -2.038 36 HE1 PHE 6 HE2 PHE 6 62.858 5.973 2.355 37 HE2 PHE 6 HE1 PHE 6 60.791 5.154 -1.283 38 HZ PHE 6 HZ PHE 6 61.612 4.409 0.916 39 H THR 7 H THR 7 59.898 8.789 0.619 40 HA THR 7 HA THR 7 57.792 10.093 -0.964 41 HB THR 7 HB THR 7 58.032 7.097 -0.763 42 HG1 THR 7 HG1 THR 7 59.172 7.073 -2.611 43 HG21 THR 7 HG21 THR 7 56.275 8.971 -2.184 44 HG22 THR 7 HG22 THR 7 55.986 7.313 -1.649 45 HG23 THR 7 HG23 THR 7 56.878 7.618 -3.140 46 H SER 8 H SER 8 55.650 9.767 -0.208 47 HA SER 8 HA SER 8 55.526 8.950 2.620 48 HB2 SER 8 HB3 SER 8 53.984 10.643 3.051 49 HB3 SER 8 HB2 SER 8 55.063 11.412 1.887 50 HG SER 8 HG SER 8 53.555 11.012 0.276 51 H ASP 9 H ASP 9 54.476 8.177 -0.503 52 HA ASP 9 HA ASP 9 52.060 6.820 0.441 53 HB2 ASP 9 HB3 ASP 9 53.045 7.773 -2.178 54 HB3 ASP 9 HB2 ASP 9 52.198 6.229 -2.215 55 H LEU 10 H LEU 10 54.571 5.930 1.344 56 HA LEU 10 HA LEU 10 54.564 3.268 0.142 57 HB2 LEU 10 HB3 LEU 10 56.905 3.049 1.032 58 HB3 LEU 10 HB2 LEU 10 56.685 4.095 -0.357 59 HG LEU 10 HG LEU 10 57.000 6.060 0.931 60 HD11 LEU 10 HD11 LEU 10 55.722 5.673 2.879 61 HD12 LEU 10 HD12 LEU 10 57.383 5.897 3.424 62 HD13 LEU 10 HD13 LEU 10 56.698 4.276 3.331 63 HD21 LEU 10 HD21 LEU 10 59.064 4.956 0.394 64 HD22 LEU 10 HD22 LEU 10 58.930 3.927 1.821 65 HD23 LEU 10 HD23 LEU 10 59.195 5.663 2.006 66 H SER 11 H SER 11 53.380 4.873 2.546 67 HA SER 11 HA SER 11 53.867 2.774 4.516 68 HB2 SER 11 HB3 SER 11 54.709 4.844 5.386 69 HB3 SER 11 HB2 SER 11 53.259 5.699 4.859 70 H LYS 12 H LYS 12 51.570 4.732 2.840 71 HA LYS 12 HA LYS 12 49.367 3.158 3.979 72 HB2 LYS 12 HB3 LYS 12 49.629 6.040 3.241 73 HB3 LYS 12 HB2 LYS 12 48.068 5.247 3.243 74 HG2 LYS 12 HG3 LYS 12 47.971 5.160 5.493 75 HG3 LYS 12 HG2 LYS 12 49.696 4.791 5.613 76 HD2 LYS 12 HD3 LYS 12 49.154 6.969 6.620 77 HD3 LYS 12 HD2 LYS 12 50.251 7.126 5.246 78 HE2 LYS 12 HE2 LYS 12 48.746 8.262 4.013 79 HE3 LYS 12 HE3 LYS 12 47.390 7.293 4.588 80 HZ1 LYS 12 HZ1 LYS 12 47.827 9.842 5.278 81 HZ2 LYS 12 HZ2 LYS 12 48.569 9.040 6.569 82 HZ3 LYS 12 HZ3 LYS 12 46.941 8.745 6.215 83 H GLN 13 H GLN 13 51.102 3.933 1.228 84 HA GLN 13 HA GLN 13 48.888 3.029 -0.477 85 HB2 GLN 13 HB3 GLN 13 49.372 5.378 -0.849 86 HB3 GLN 13 HB2 GLN 13 51.057 4.994 -1.153 87 HG2 GLN 13 HG3 GLN 13 50.670 4.427 -3.272 88 HG3 GLN 13 HG2 GLN 13 49.221 3.514 -2.857 89 HE21 GLN 13 HE21 GLN 13 49.698 5.326 -5.084 90 HE22 GLN 13 HE22 GLN 13 48.490 6.568 -4.963 91 H MET 14 H MET 14 52.397 2.949 0.050 92 HA MET 14 HA MET 14 52.450 0.718 -1.892 93 HB2 MET 14 HB3 MET 14 54.442 1.422 -2.594 94 HB3 MET 14 HB2 MET 14 54.290 2.823 -1.555 95 HG2 MET 14 HG3 MET 14 55.441 1.704 0.220 96 HG3 MET 14 HG2 MET 14 55.445 0.184 -0.688 97 HE1 MET 14 HE1 MET 14 58.871 0.201 -1.901 98 HE2 MET 14 HE2 MET 14 57.405 -0.639 -1.397 99 HE3 MET 14 HE3 MET 14 58.384 0.220 -0.206 100 H GLU 15 H GLU 15 52.500 1.587 1.372 101 HA GLU 15 HA GLU 15 53.567 -0.976 2.201 102 HB2 GLU 15 HB3 GLU 15 53.276 1.585 3.448 103 HB3 GLU 15 HB2 GLU 15 52.473 0.367 4.426 104 HG2 GLU 15 HG3 GLU 15 54.526 -0.958 4.451 105 HG3 GLU 15 HG2 GLU 15 55.333 0.274 3.481 106 H GLU 16 H GLU 16 50.538 0.890 1.895 107 HA GLU 16 HA GLU 16 48.812 -0.821 3.272 108 HB2 GLU 16 HB3 GLU 16 48.554 1.254 1.324 109 HB3 GLU 16 HB2 GLU 16 47.527 -0.089 0.842 110 HG2 GLU 16 HG3 GLU 16 46.497 -0.081 3.067 111 HG3 GLU 16 HG2 GLU 16 47.492 1.303 3.508 112 H GLU 17 H GLU 17 50.263 -1.044 0.107 113 HA GLU 17 HA GLU 17 49.078 -3.627 -0.480 114 HB2 GLU 17 HB3 GLU 17 49.785 -3.295 -2.633 115 HB3 GLU 17 HB2 GLU 17 49.690 -1.621 -2.119 116 HG2 GLU 17 HG3 GLU 17 52.113 -1.752 -1.550 117 HG3 GLU 17 HG2 GLU 17 52.146 -3.333 -2.301 118 H DAL 18 H ALA 18 52.077 -2.126 0.501 119 HA DAL 18 HA ALA 18 53.932 -2.963 1.517 120 HB1 DAL 18 HB1 ALA 18 54.955 -3.592 -0.392 121 HB2 DAL 18 HB2 ALA 18 53.568 -4.526 -0.951 122 HB3 DAL 18 HB3 ALA 18 54.673 -5.216 0.237 123 H VAL 19 H VAL 19 51.657 -3.548 2.863 124 HA VAL 19 HA VAL 19 52.404 -5.769 4.459 125 HB VAL 19 HB VAL 19 49.734 -4.345 4.360 126 HG11 VAL 19 HG11 VAL 19 49.713 -5.083 6.799 127 HG12 VAL 19 HG12 VAL 19 51.008 -6.194 6.353 128 HG13 VAL 19 HG13 VAL 19 49.428 -6.326 5.581 129 HG21 VAL 19 HG21 VAL 19 50.609 -2.616 5.467 130 HG22 VAL 19 HG22 VAL 19 52.181 -3.236 4.963 131 HG23 VAL 19 HG23 VAL 19 51.531 -3.669 6.543 132 H ARG 20 H ARG 20 50.112 -5.258 1.845 133 HA ARG 20 HA ARG 20 48.719 -7.699 2.077 134 HB2 ARG 20 HB3 ARG 20 49.216 -6.010 -0.385 135 HB3 ARG 20 HB2 ARG 20 48.030 -7.301 -0.260 136 HG2 ARG 20 HG3 ARG 20 47.784 -5.265 1.821 137 HG3 ARG 20 HG2 ARG 20 47.540 -4.658 0.183 138 HD2 ARG 20 HD3 ARG 20 45.813 -6.268 -0.223 139 HD3 ARG 20 HD2 ARG 20 46.145 -7.080 1.306 140 HE ARG 20 HE ARG 20 45.514 -4.585 2.095 141 HH11 ARG 20 HH11 ARG 20 43.928 -6.842 -0.046 142 HH12 ARG 20 HH12 ARG 20 42.339 -6.253 0.312 143 HH21 ARG 20 HH21 ARG 20 43.425 -3.812 2.564 144 HH22 ARG 20 HH22 ARG 20 42.053 -4.535 1.792 145 H LEU 21 H LEU 21 51.685 -6.759 0.393 146 HA LEU 21 HA LEU 21 51.981 -9.481 -0.634 147 HB2 LEU 21 HB3 LEU 21 53.801 -7.111 -0.992 148 HB3 LEU 21 HB2 LEU 21 53.882 -8.635 -1.863 149 HG LEU 21 HG LEU 21 51.641 -6.637 -1.994 150 HD11 LEU 21 HD11 LEU 21 54.040 -6.417 -3.192 151 HD12 LEU 21 HD12 LEU 21 52.538 -5.834 -3.910 152 HD13 LEU 21 HD13 LEU 21 53.190 -7.404 -4.382 153 HD21 LEU 21 HD21 LEU 21 51.963 -9.392 -3.086 154 HD22 LEU 21 HD22 LEU 21 51.041 -8.192 -3.994 155 HD23 LEU 21 HD23 LEU 21 50.550 -8.627 -2.356 156 H TYR 22 H TYR 22 53.179 -7.417 1.872 157 HA TYR 22 HA TYR 22 55.503 -8.924 2.525 158 HB2 TYR 22 HB3 TYR 22 55.469 -6.735 3.379 159 HB3 TYR 22 HB2 TYR 22 53.810 -6.868 3.914 160 HD1 TYR 22 HD1 TYR 22 56.748 -9.064 4.550 161 HD2 TYR 22 HD2 TYR 22 53.788 -6.467 6.139 162 HE1 TYR 22 HE1 TYR 22 57.498 -9.610 6.826 163 HE2 TYR 22 HE2 TYR 22 54.517 -6.995 8.410 164 HH TYR 22 HH TYR 22 55.769 -9.102 9.509 165 H ILE 23 H ILE 23 52.199 -8.702 3.671 166 HA ILE 23 HA ILE 23 52.394 -10.829 5.530 167 HB ILE 23 HB ILE 23 49.991 -9.647 4.119 168 HG12 ILE 23 HG12 ILE 23 51.340 -8.175 5.683 169 HG13 ILE 23 HG13 ILE 23 49.642 -8.366 6.098 170 HG21 ILE 23 HG21 ILE 23 48.777 -10.726 6.087 171 HG22 ILE 23 HG22 ILE 23 50.224 -11.719 6.261 172 HG23 ILE 23 HG23 ILE 23 49.294 -11.770 4.764 173 HD11 ILE 23 HD11 ILE 23 50.909 -8.494 8.100 174 HD12 ILE 23 HD12 ILE 23 52.010 -9.679 7.400 175 HD13 ILE 23 HD13 ILE 23 50.336 -10.121 7.735 176 H GLN 24 H GLN 24 51.802 -10.511 2.086 177 HA GLN 24 HA GLN 24 50.878 -13.164 1.606 178 HB2 GLN 24 HB3 GLN 24 50.665 -11.355 -0.062 179 HB3 GLN 24 HB2 GLN 24 52.412 -11.291 -0.215 180 HG2 GLN 24 HG3 GLN 24 51.021 -13.870 -0.715 181 HG3 GLN 24 HG2 GLN 24 50.958 -12.603 -1.944 182 HE21 GLN 24 HE21 GLN 24 52.628 -15.240 -0.892 183 HE22 GLN 24 HE22 GLN 24 54.148 -14.941 -1.659 184 H TRP 25 H TRP 25 54.015 -11.566 1.495 185 HA TRP 25 HA TRP 25 55.678 -13.708 0.840 186 HB2 TRP 25 HB3 TRP 25 56.549 -11.449 0.931 187 HB3 TRP 25 HB2 TRP 25 56.120 -11.307 2.635 188 HD1 TRP 25 HD1 TRP 25 58.653 -13.051 0.345 189 HE1 TRP 25 HE1 TRP 25 60.691 -13.712 1.762 190 HE3 TRP 25 HE3 TRP 25 56.873 -11.779 4.947 191 HZ2 TRP 25 HZ2 TRP 25 61.456 -13.675 4.488 192 HZ3 TRP 25 HZ3 TRP 25 58.321 -12.103 6.907 193 HH2 TRP 25 HH2 TRP 25 60.557 -13.047 6.678 194 H LEU 26 H LEU 26 54.038 -12.792 3.753 195 HA LEU 26 HA LEU 26 55.383 -14.740 5.413 196 HB2 LEU 26 HB3 LEU 26 53.370 -12.583 5.806 197 HB3 LEU 26 HB2 LEU 26 53.375 -13.897 6.956 198 HG LEU 26 HG LEU 26 55.457 -11.806 6.484 199 HD11 LEU 26 HD11 LEU 26 53.630 -11.646 8.220 200 HD12 LEU 26 HD12 LEU 26 55.280 -11.471 8.813 201 HD13 LEU 26 HD13 LEU 26 54.418 -12.994 9.040 202 HD21 LEU 26 HD21 LEU 26 55.911 -14.518 7.707 203 HD22 LEU 26 HD22 LEU 26 56.978 -13.134 7.946 204 HD23 LEU 26 HD23 LEU 26 56.751 -13.806 6.332 205 H LYS 27 H LYS 27 52.371 -14.380 3.647 206 HA LYS 27 HA LYS 27 50.768 -16.286 4.814 207 HB2 LYS 27 HB3 LYS 27 50.949 -15.012 2.221 208 HB3 LYS 27 HB2 LYS 27 50.416 -16.678 2.060 209 HG2 LYS 27 HG3 LYS 27 48.591 -16.272 3.604 210 HG3 LYS 27 HG2 LYS 27 49.147 -14.616 3.850 211 HD2 LYS 27 HD3 LYS 27 48.736 -15.344 1.041 212 HD3 LYS 27 HD2 LYS 27 47.271 -15.391 2.023 213 HE2 LYS 27 HE2 LYS 27 48.430 -13.052 2.832 214 HE3 LYS 27 HE3 LYS 27 48.872 -13.108 1.125 215 HZ1 LYS 27 HZ1 LYS 27 46.855 -12.164 0.899 216 HZ2 LYS 27 HZ2 LYS 27 46.260 -12.780 2.356 217 HZ3 LYS 27 HZ3 LYS 27 46.304 -13.763 0.980 218 H GLU 28 H GLU 28 53.558 -16.750 2.765 219 HA GLU 28 HA GLU 28 53.143 -19.636 2.682 220 HB2 GLU 28 HB3 GLU 28 55.266 -19.577 1.299 221 HB3 GLU 28 HB2 GLU 28 53.875 -18.751 0.611 222 HG2 GLU 28 HG3 GLU 28 54.812 -16.692 0.828 223 HG3 GLU 28 HG2 GLU 28 55.747 -17.146 2.252 224 H GLY 29 H GLY 29 55.046 -17.247 4.358 225 HA2 GLY 29 HA3 GLY 29 55.850 -18.064 6.567 226 HA3 GLY 29 HA2 GLY 29 56.541 -19.425 5.680 227 H GLY 30 H GLY 30 56.567 -16.299 4.241 228 HA2 GLY 30 HA3 GLY 30 58.532 -15.388 3.267 229 HA3 GLY 30 HA2 GLY 30 58.438 -14.709 4.873 230 HA PRO 31 HA PRO 31 62.408 -16.303 5.721 231 HB2 PRO 31 HB3 PRO 31 62.290 -16.603 8.399 232 HB3 PRO 31 HB2 PRO 31 62.241 -15.012 7.629 233 HG2 PRO 31 HG3 PRO 31 59.989 -16.660 8.706 234 HG3 PRO 31 HG2 PRO 31 60.264 -14.916 8.844 235 HD2 PRO 31 HD3 PRO 31 58.558 -16.057 7.048 236 HD3 PRO 31 HD2 PRO 31 59.332 -14.508 6.804 237 H SER 32 H SER 32 61.059 -18.366 4.599 238 HA SER 32 HA SER 32 62.288 -20.638 5.681 239 HB2 SER 32 HB3 SER 32 60.477 -20.331 7.405 240 HB3 SER 32 HB2 SER 32 59.297 -20.627 6.130 241 HG SER 32 HG SER 32 60.364 -22.673 5.806 242 H SER 33 H SER 33 61.953 -19.373 3.155 243 HA SER 33 HA SER 33 61.280 -21.663 1.579 244 HB2 SER 33 HB3 SER 33 59.076 -20.274 2.149 245 HB3 SER 33 HB2 SER 33 59.648 -19.291 0.796 246 HG SER 33 HG SER 33 58.721 -21.918 0.832 247 H GLY 34 H GLY 34 63.518 -19.812 2.050 248 HA2 GLY 34 HA3 GLY 34 65.114 -18.640 0.876 249 HA3 GLY 34 HA2 GLY 34 64.630 -19.676 -0.466 250 H ARG 35 H ARG 35 62.673 -17.222 1.157 251 HA ARG 35 HA ARG 35 62.587 -15.735 -1.387 252 HB2 ARG 35 HB3 ARG 35 60.482 -16.955 -0.198 253 HB3 ARG 35 HB2 ARG 35 60.383 -15.368 0.551 254 HG2 ARG 35 HG3 ARG 35 59.126 -14.903 -1.252 255 HG3 ARG 35 HG2 ARG 35 60.696 -14.646 -2.018 256 HD2 ARG 35 HD3 ARG 35 60.606 -17.131 -2.613 257 HD3 ARG 35 HD2 ARG 35 58.899 -17.048 -2.177 258 HE ARG 35 HE ARG 35 59.716 -15.043 -4.070 259 HH11 ARG 35 HH11 ARG 35 58.580 -18.319 -3.679 260 HH12 ARG 35 HH12 ARG 35 57.919 -18.413 -5.278 261 HH21 ARG 35 HH21 ARG 35 58.850 -15.164 -6.173 262 HH22 ARG 35 HH22 ARG 35 58.073 -16.621 -6.694 263 HA PRO 36 HA PRO 36 64.295 -12.431 1.100 264 HB2 PRO 36 HB3 PRO 36 64.424 -10.544 -0.797 265 HB3 PRO 36 HB2 PRO 36 65.504 -11.946 -0.817 266 HG2 PRO 36 HG3 PRO 36 62.977 -11.485 -2.359 267 HG3 PRO 36 HG2 PRO 36 64.533 -12.111 -2.934 268 HD2 PRO 36 HD3 PRO 36 62.423 -13.716 -2.312 269 HD3 PRO 36 HD2 PRO 36 64.117 -14.229 -2.135 270 HA PRO 37 HA PRO 37 60.144 -10.895 2.231 271 HB2 PRO 37 HB3 PRO 37 61.392 -9.281 4.226 272 HB3 PRO 37 HB2 PRO 37 60.483 -10.780 4.453 273 HG2 PRO 37 HG3 PRO 37 63.386 -10.336 4.405 274 HG3 PRO 37 HG2 PRO 37 62.463 -11.672 5.105 275 HD2 PRO 37 HD3 PRO 37 63.980 -11.900 2.848 276 HD3 PRO 37 HD2 PRO 37 62.560 -12.905 3.176 277 HA PRO 38 HA PRO 38 60.296 -7.027 0.073 278 HB2 PRO 38 HB3 PRO 38 57.912 -6.000 0.817 279 HB3 PRO 38 HB2 PRO 38 58.047 -7.368 -0.296 280 HG2 PRO 38 HG3 PRO 38 57.458 -7.373 2.639 281 HG3 PRO 38 HG2 PRO 38 56.682 -8.292 1.340 282 HD2 PRO 38 HD3 PRO 38 58.566 -9.364 2.966 283 HD3 PRO 38 HD2 PRO 38 58.357 -9.868 1.276 284 H SER 39 H SER 39 59.347 -4.620 0.760 285 HA SER 39 HA SER 39 61.132 -3.823 2.899 286 HB2 SER 39 HB3 SER 39 60.046 -1.492 2.126 287 HB3 SER 39 HB2 SER 39 61.363 -2.261 1.242 288 HG SER 39 HG SER 39 58.734 -1.890 0.524 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 65.553 14.598 7.990 2 H2 HIS 1 H2 HIS 1 66.761 14.332 9.179 3 H3 HIS 1 H3 HIS 1 65.157 14.717 9.653 4 HA HIS 1 HA HIS 1 66.157 12.257 8.398 5 HB2 HIS 1 HB3 HIS 1 65.298 13.153 11.077 6 HB3 HIS 1 HB2 HIS 1 64.647 11.596 10.572 7 HD1 HIS 1 HD1 HIS 1 68.127 12.926 9.873 8 HD2 HIS 1 HD2 HIS 1 66.235 9.901 12.000 9 HE1 HIS 1 HE1 HIS 1 69.976 11.472 10.762 10 HE2 HIS 1 HE2 HIS 1 68.811 9.693 12.112 11 H GLY 2 H GLY 2 63.146 13.438 9.907 12 HA2 GLY 2 HA3 GLY 2 61.448 11.733 8.479 13 HA3 GLY 2 HA2 GLY 2 60.953 13.219 9.277 14 H GLU 3 H GLU 3 59.560 12.712 7.134 15 HA GLU 3 HA GLU 3 58.832 13.638 5.188 16 HB2 GLU 3 HB3 GLU 3 60.155 15.683 6.381 17 HB3 GLU 3 HB2 GLU 3 61.074 15.535 4.889 18 HG2 GLU 3 HG3 GLU 3 59.121 15.900 3.569 19 HG3 GLU 3 HG2 GLU 3 58.082 15.819 4.991 20 H GLY 4 H GLY 4 62.368 14.027 4.897 21 HA2 GLY 4 HA3 GLY 4 63.866 12.911 3.529 22 HA3 GLY 4 HA2 GLY 4 62.569 11.826 3.052 23 H THR 5 H THR 5 62.390 11.858 0.914 24 HA THR 5 HA THR 5 61.805 14.335 -0.433 25 HB THR 5 HB THR 5 63.799 13.181 -2.088 26 HG1 THR 5 HG1 THR 5 64.817 12.249 -0.379 27 HG21 THR 5 HG21 THR 5 64.355 15.610 -0.467 28 HG22 THR 5 HG22 THR 5 63.057 15.643 -1.662 29 HG23 THR 5 HG23 THR 5 64.707 15.274 -2.162 30 H PHE 6 H PHE 6 62.682 10.920 -0.890 31 HA PHE 6 HA PHE 6 60.406 10.686 -2.747 32 HB2 PHE 6 HB3 PHE 6 61.743 8.852 -3.866 33 HB3 PHE 6 HB2 PHE 6 62.353 10.485 -4.103 34 HD1 PHE 6 HD2 PHE 6 64.345 11.244 -2.820 35 HD2 PHE 6 HD1 PHE 6 63.034 7.196 -2.794 36 HE1 PHE 6 HE2 PHE 6 66.549 10.541 -1.981 37 HE2 PHE 6 HE1 PHE 6 65.233 6.485 -1.953 38 HZ PHE 6 HZ PHE 6 66.995 8.158 -1.545 39 H THR 7 H THR 7 60.406 10.262 0.100 40 HA THR 7 HA THR 7 59.466 7.501 0.105 41 HB THR 7 HB THR 7 61.446 8.567 2.127 42 HG1 THR 7 HG1 THR 7 62.530 7.915 0.320 43 HG21 THR 7 HG21 THR 7 61.332 5.906 2.567 44 HG22 THR 7 HG22 THR 7 59.642 6.260 2.202 45 HG23 THR 7 HG23 THR 7 60.462 7.113 3.512 46 H SER 8 H SER 8 57.451 7.581 0.804 47 HA SER 8 HA SER 8 56.681 8.602 3.298 48 HB2 SER 8 HB3 SER 8 57.047 10.763 1.953 49 HB3 SER 8 HB2 SER 8 55.602 10.305 1.053 50 HG SER 8 HG SER 8 54.550 10.183 3.165 51 H ASP 9 H ASP 9 55.675 7.853 -0.001 52 HA ASP 9 HA ASP 9 53.133 6.788 1.002 53 HB2 ASP 9 HB3 ASP 9 54.128 7.645 -1.687 54 HB3 ASP 9 HB2 ASP 9 52.848 6.439 -1.608 55 H LEU 10 H LEU 10 55.628 5.501 1.569 56 HA LEU 10 HA LEU 10 55.062 2.967 0.232 57 HB2 LEU 10 HB3 LEU 10 57.434 2.337 0.731 58 HB3 LEU 10 HB2 LEU 10 57.201 3.540 -0.521 59 HG LEU 10 HG LEU 10 58.015 5.291 0.846 60 HD11 LEU 10 HD11 LEU 10 56.938 4.913 2.921 61 HD12 LEU 10 HD12 LEU 10 58.672 4.850 3.239 62 HD13 LEU 10 HD13 LEU 10 57.740 3.356 3.135 63 HD21 LEU 10 HD21 LEU 10 60.223 4.388 1.631 64 HD22 LEU 10 HD22 LEU 10 59.805 4.011 -0.040 65 HD23 LEU 10 HD23 LEU 10 59.631 2.781 1.212 66 H SER 11 H SER 11 54.380 4.500 2.823 67 HA SER 11 HA SER 11 54.828 2.236 4.611 68 HB2 SER 11 HB3 SER 11 56.031 4.129 5.473 69 HB3 SER 11 HB2 SER 11 54.645 5.182 5.195 70 H LYS 12 H LYS 12 52.625 4.536 3.295 71 HA LYS 12 HA LYS 12 50.381 3.183 4.623 72 HB2 LYS 12 HB3 LYS 12 50.961 6.054 4.069 73 HB3 LYS 12 HB2 LYS 12 49.305 5.488 4.142 74 HG2 LYS 12 HG3 LYS 12 49.359 5.228 6.374 75 HG3 LYS 12 HG2 LYS 12 51.002 4.577 6.315 76 HD2 LYS 12 HD3 LYS 12 51.027 6.664 7.531 77 HD3 LYS 12 HD2 LYS 12 51.865 6.871 5.991 78 HE2 LYS 12 HE2 LYS 12 50.276 8.265 5.157 79 HE3 LYS 12 HE3 LYS 12 48.966 7.470 6.033 80 HZ1 LYS 12 HZ1 LYS 12 49.162 9.524 7.061 81 HZ2 LYS 12 HZ2 LYS 12 50.852 9.521 7.006 82 HZ3 LYS 12 HZ3 LYS 12 50.042 8.508 8.091 83 H GLN 13 H GLN 13 51.864 4.036 1.733 84 HA GLN 13 HA GLN 13 49.382 3.513 0.249 85 HB2 GLN 13 HB3 GLN 13 50.132 5.800 -0.038 86 HB3 GLN 13 HB2 GLN 13 51.717 5.234 -0.532 87 HG2 GLN 13 HG3 GLN 13 50.980 5.392 -2.620 88 HG3 GLN 13 HG2 GLN 13 50.020 3.953 -2.279 89 HE21 GLN 13 HE21 GLN 13 49.979 7.466 -2.303 90 HE22 GLN 13 HE22 GLN 13 48.261 7.629 -2.503 91 H MET 14 H MET 14 52.882 2.937 0.376 92 HA MET 14 HA MET 14 52.426 0.869 -1.690 93 HB2 MET 14 HB3 MET 14 54.390 1.389 -2.596 94 HB3 MET 14 HB2 MET 14 54.555 2.703 -1.448 95 HG2 MET 14 HG3 MET 14 55.754 1.310 0.073 96 HG3 MET 14 HG2 MET 14 55.424 -0.125 -0.909 97 HE1 MET 14 HE1 MET 14 59.274 0.325 -1.310 98 HE2 MET 14 HE2 MET 14 58.032 -0.925 -1.380 99 HE3 MET 14 HE3 MET 14 58.126 0.146 0.016 100 H GLU 15 H GLU 15 52.906 1.477 1.584 101 HA GLU 15 HA GLU 15 53.744 -1.243 2.140 102 HB2 GLU 15 HB3 GLU 15 53.946 1.233 3.534 103 HB3 GLU 15 HB2 GLU 15 53.044 0.107 4.535 104 HG2 GLU 15 HG3 GLU 15 54.875 -1.531 4.255 105 HG3 GLU 15 HG2 GLU 15 55.790 -0.313 3.364 106 H GLU 16 H GLU 16 50.963 0.976 2.253 107 HA GLU 16 HA GLU 16 49.175 -0.571 3.729 108 HB2 GLU 16 HB3 GLU 16 49.004 1.606 1.896 109 HB3 GLU 16 HB2 GLU 16 47.787 0.421 1.440 110 HG2 GLU 16 HG3 GLU 16 46.952 0.433 3.756 111 HG3 GLU 16 HG2 GLU 16 48.123 1.688 4.148 112 H GLU 17 H GLU 17 50.356 -0.873 0.475 113 HA GLU 17 HA GLU 17 48.820 -3.283 -0.077 114 HB2 GLU 17 HB3 GLU 17 49.298 -2.913 -2.281 115 HB3 GLU 17 HB2 GLU 17 49.451 -1.265 -1.705 116 HG2 GLU 17 HG3 GLU 17 51.909 -1.755 -1.400 117 HG3 GLU 17 HG2 GLU 17 51.633 -3.221 -2.315 118 H DAL 18 H ALA 18 52.045 -2.096 0.559 119 HA DAL 18 HA ALA 18 53.932 -3.120 1.308 120 HB1 DAL 18 HB1 ALA 18 53.098 -4.600 -1.098 121 HB2 DAL 18 HB2 ALA 18 54.280 -5.409 -0.071 122 HB3 DAL 18 HB3 ALA 18 54.629 -3.809 -0.724 123 H VAL 19 H VAL 19 51.587 -3.618 2.791 124 HA VAL 19 HA VAL 19 52.421 -5.818 4.384 125 HB VAL 19 HB VAL 19 49.810 -4.283 4.401 126 HG11 VAL 19 HG11 VAL 19 49.193 -6.085 5.643 127 HG12 VAL 19 HG12 VAL 19 50.025 -5.171 6.901 128 HG13 VAL 19 HG13 VAL 19 50.853 -6.491 6.079 129 HG21 VAL 19 HG21 VAL 19 52.258 -3.294 4.941 130 HG22 VAL 19 HG22 VAL 19 51.812 -3.921 6.527 131 HG23 VAL 19 HG23 VAL 19 50.778 -2.735 5.723 132 H ARG 20 H ARG 20 50.089 -5.363 1.813 133 HA ARG 20 HA ARG 20 48.673 -7.795 2.169 134 HB2 ARG 20 HB3 ARG 20 49.062 -6.274 -0.415 135 HB3 ARG 20 HB2 ARG 20 47.764 -7.396 -0.030 136 HG2 ARG 20 HG3 ARG 20 48.059 -5.068 1.762 137 HG3 ARG 20 HG2 ARG 20 47.510 -4.739 0.117 138 HD2 ARG 20 HD3 ARG 20 46.151 -7.026 1.257 139 HD3 ARG 20 HD2 ARG 20 45.958 -5.591 2.264 140 HE ARG 20 HE ARG 20 45.478 -5.134 -0.538 141 HH11 ARG 20 HH11 ARG 20 44.059 -6.121 2.494 142 HH12 ARG 20 HH12 ARG 20 42.448 -5.696 2.023 143 HH21 ARG 20 HH21 ARG 20 43.360 -4.573 -1.159 144 HH22 ARG 20 HH22 ARG 20 42.051 -4.817 -0.051 145 H LEU 21 H LEU 21 51.529 -6.836 0.339 146 HA LEU 21 HA LEU 21 51.849 -9.538 -0.719 147 HB2 LEU 21 HB3 LEU 21 53.779 -7.265 -1.034 148 HB3 LEU 21 HB2 LEU 21 53.562 -8.662 -2.078 149 HG LEU 21 HG LEU 21 51.550 -6.456 -1.711 150 HD11 LEU 21 HD11 LEU 21 52.393 -5.381 -3.517 151 HD12 LEU 21 HD12 LEU 21 52.933 -6.874 -4.285 152 HD13 LEU 21 HD13 LEU 21 53.885 -6.158 -2.985 153 HD21 LEU 21 HD21 LEU 21 50.133 -7.586 -3.038 154 HD22 LEU 21 HD22 LEU 21 51.052 -8.993 -2.500 155 HD23 LEU 21 HD23 LEU 21 51.428 -8.233 -4.047 156 H TYR 22 H TYR 22 53.077 -7.491 1.795 157 HA TYR 22 HA TYR 22 55.434 -8.958 2.387 158 HB2 TYR 22 HB3 TYR 22 55.360 -6.792 3.289 159 HB3 TYR 22 HB2 TYR 22 53.712 -6.976 3.840 160 HD1 TYR 22 HD1 TYR 22 56.700 -9.119 4.403 161 HD2 TYR 22 HD2 TYR 22 53.716 -6.603 6.073 162 HE1 TYR 22 HE1 TYR 22 57.493 -9.686 6.657 163 HE2 TYR 22 HE2 TYR 22 54.489 -7.152 8.325 164 HH TYR 22 HH TYR 22 56.561 -7.969 9.425 165 H ILE 23 H ILE 23 52.162 -8.830 3.643 166 HA ILE 23 HA ILE 23 52.444 -10.995 5.437 167 HB ILE 23 HB ILE 23 49.988 -9.848 4.086 168 HG12 ILE 23 HG12 ILE 23 51.335 -8.389 5.668 169 HG13 ILE 23 HG13 ILE 23 49.642 -8.617 6.088 170 HG21 ILE 23 HG21 ILE 23 49.043 -11.031 6.299 171 HG22 ILE 23 HG22 ILE 23 50.355 -12.136 5.890 172 HG23 ILE 23 HG23 ILE 23 49.082 -11.803 4.715 173 HD11 ILE 23 HD11 ILE 23 51.188 -10.645 7.351 174 HD12 ILE 23 HD12 ILE 23 50.229 -9.358 8.085 175 HD13 ILE 23 HD13 ILE 23 51.922 -9.074 7.672 176 H GLN 24 H GLN 24 51.835 -10.629 2.014 177 HA GLN 24 HA GLN 24 50.954 -13.284 1.468 178 HB2 GLN 24 HB3 GLN 24 50.808 -11.294 -0.098 179 HB3 GLN 24 HB2 GLN 24 52.528 -11.485 -0.383 180 HG2 GLN 24 HG3 GLN 24 51.405 -12.536 -2.173 181 HG3 GLN 24 HG2 GLN 24 52.061 -13.814 -1.147 182 HE21 GLN 24 HE21 GLN 24 50.724 -15.304 -0.346 183 HE22 GLN 24 HE22 GLN 24 49.003 -15.283 -0.503 184 H TRP 25 H TRP 25 54.069 -11.630 1.388 185 HA TRP 25 HA TRP 25 55.762 -13.740 0.692 186 HB2 TRP 25 HB3 TRP 25 56.612 -11.483 0.802 187 HB3 TRP 25 HB2 TRP 25 56.165 -11.344 2.499 188 HD1 TRP 25 HD1 TRP 25 58.734 -13.075 0.239 189 HE1 TRP 25 HE1 TRP 25 60.768 -13.703 1.673 190 HE3 TRP 25 HE3 TRP 25 56.915 -11.778 4.818 191 HZ2 TRP 25 HZ2 TRP 25 61.517 -13.633 4.402 192 HZ3 TRP 25 HZ3 TRP 25 58.351 -12.073 6.791 193 HH2 TRP 25 HH2 TRP 25 60.595 -12.999 6.586 194 H LEU 26 H LEU 26 54.126 -12.881 3.623 195 HA LEU 26 HA LEU 26 55.505 -14.832 5.253 196 HB2 LEU 26 HB3 LEU 26 53.442 -12.726 5.689 197 HB3 LEU 26 HB2 LEU 26 53.520 -14.044 6.831 198 HG LEU 26 HG LEU 26 55.556 -11.914 6.291 199 HD11 LEU 26 HD11 LEU 26 54.527 -13.021 8.889 200 HD12 LEU 26 HD12 LEU 26 53.735 -11.702 8.028 201 HD13 LEU 26 HD13 LEU 26 55.388 -11.507 8.613 202 HD21 LEU 26 HD21 LEU 26 56.875 -13.891 6.203 203 HD22 LEU 26 HD22 LEU 26 56.023 -14.595 7.575 204 HD23 LEU 26 HD23 LEU 26 57.075 -13.200 7.812 205 H LYS 27 H LYS 27 52.500 -14.503 3.476 206 HA LYS 27 HA LYS 27 50.905 -16.431 4.617 207 HB2 LYS 27 HB3 LYS 27 51.050 -15.088 2.095 208 HB3 LYS 27 HB2 LYS 27 50.698 -16.786 1.804 209 HG2 LYS 27 HG3 LYS 27 48.583 -16.442 2.337 210 HG3 LYS 27 HG2 LYS 27 49.065 -15.923 3.952 211 HD2 LYS 27 HD3 LYS 27 49.327 -13.644 3.179 212 HD3 LYS 27 HD2 LYS 27 48.970 -14.137 1.522 213 HE2 LYS 27 HE2 LYS 27 46.949 -13.261 2.271 214 HE3 LYS 27 HE3 LYS 27 46.745 -15.000 2.481 215 HZ1 LYS 27 HZ1 LYS 27 46.775 -14.825 4.726 216 HZ2 LYS 27 HZ2 LYS 27 46.182 -13.279 4.385 217 HZ3 LYS 27 HZ3 LYS 27 47.821 -13.494 4.740 218 H GLU 28 H GLU 28 53.755 -16.859 2.654 219 HA GLU 28 HA GLU 28 53.372 -19.753 2.560 220 HB2 GLU 28 HB3 GLU 28 55.775 -18.332 1.462 221 HB3 GLU 28 HB2 GLU 28 55.029 -19.829 0.916 222 HG2 GLU 28 HG3 GLU 28 53.015 -18.113 0.450 223 HG3 GLU 28 HG2 GLU 28 54.394 -17.034 0.242 224 H GLY 29 H GLY 29 55.188 -17.324 4.259 225 HA2 GLY 29 HA3 GLY 29 55.992 -18.114 6.474 226 HA3 GLY 29 HA2 GLY 29 56.728 -19.461 5.597 227 H GLY 30 H GLY 30 56.683 -16.339 4.149 228 HA2 GLY 30 HA3 GLY 30 58.634 -15.384 3.188 229 HA3 GLY 30 HA2 GLY 30 58.503 -14.698 4.788 230 HA PRO 31 HA PRO 31 62.504 -16.176 5.699 231 HB2 PRO 31 HB3 PRO 31 62.349 -16.499 8.375 232 HB3 PRO 31 HB2 PRO 31 62.277 -14.905 7.613 233 HG2 PRO 31 HG3 PRO 31 60.046 -16.609 8.644 234 HG3 PRO 31 HG2 PRO 31 60.278 -14.862 8.796 235 HD2 PRO 31 HD3 PRO 31 58.628 -16.025 6.966 236 HD3 PRO 31 HD2 PRO 31 59.376 -14.463 6.739 237 H SER 32 H SER 32 61.411 -18.254 4.498 238 HA SER 32 HA SER 32 62.586 -20.500 5.699 239 HB2 SER 32 HB3 SER 32 60.222 -20.006 6.940 240 HB3 SER 32 HB2 SER 32 59.682 -21.057 5.631 241 HG SER 32 HG SER 32 60.336 -22.165 7.584 242 H SER 33 H SER 33 60.066 -19.345 3.513 243 HA SER 33 HA SER 33 59.965 -21.547 1.792 244 HB2 SER 33 HB3 SER 33 58.470 -19.414 1.898 245 HB3 SER 33 HB2 SER 33 59.653 -18.736 0.772 246 HG SER 33 HG SER 33 57.623 -20.178 0.127 247 H GLY 34 H GLY 34 62.181 -18.826 1.938 248 HA2 GLY 34 HA3 GLY 34 64.478 -19.479 1.140 249 HA3 GLY 34 HA2 GLY 34 63.666 -19.995 -0.338 250 H ARG 35 H ARG 35 61.907 -17.430 0.367 251 HA ARG 35 HA ARG 35 63.600 -15.645 -1.217 252 HB2 ARG 35 HB3 ARG 35 61.513 -14.418 -1.689 253 HB3 ARG 35 HB2 ARG 35 61.411 -16.108 -2.169 254 HG2 ARG 35 HG3 ARG 35 60.449 -16.128 0.410 255 HG3 ARG 35 HG2 ARG 35 59.835 -14.614 -0.248 256 HD2 ARG 35 HD3 ARG 35 58.247 -16.405 -0.638 257 HD3 ARG 35 HD2 ARG 35 58.912 -15.831 -2.166 258 HE ARG 35 HE ARG 35 60.335 -18.078 -1.102 259 HH11 ARG 35 HH11 ARG 35 57.545 -17.112 -2.964 260 HH12 ARG 35 HH12 ARG 35 57.436 -18.616 -3.813 261 HH21 ARG 35 HH21 ARG 35 60.191 -20.058 -2.218 262 HH22 ARG 35 HH22 ARG 35 58.937 -20.290 -3.390 263 HA PRO 36 HA PRO 36 63.893 -12.825 2.176 264 HB2 PRO 36 HB3 PRO 36 64.502 -10.554 0.908 265 HB3 PRO 36 HB2 PRO 36 65.587 -11.949 0.856 266 HG2 PRO 36 HG3 PRO 36 63.750 -10.900 -1.231 267 HG3 PRO 36 HG2 PRO 36 65.311 -11.716 -1.412 268 HD2 PRO 36 HD3 PRO 36 62.744 -12.878 -1.657 269 HD3 PRO 36 HD2 PRO 36 64.298 -13.734 -1.608 270 HA PRO 37 HA PRO 37 60.117 -10.593 2.726 271 HB2 PRO 37 HB3 PRO 37 61.253 -8.713 4.569 272 HB3 PRO 37 HB2 PRO 37 60.349 -10.187 4.932 273 HG2 PRO 37 HG3 PRO 37 63.039 -9.803 5.464 274 HG3 PRO 37 HG2 PRO 37 62.240 -11.378 5.337 275 HD2 PRO 37 HD3 PRO 37 63.912 -9.932 3.331 276 HD3 PRO 37 HD2 PRO 37 63.796 -11.672 3.662 277 HA PRO 38 HA PRO 38 60.222 -7.077 0.005 278 HB2 PRO 38 HB3 PRO 38 57.796 -5.998 0.693 279 HB3 PRO 38 HB2 PRO 38 57.993 -7.369 -0.405 280 HG2 PRO 38 HG3 PRO 38 57.288 -7.354 2.501 281 HG3 PRO 38 HG2 PRO 38 56.624 -8.343 1.190 282 HD2 PRO 38 HD3 PRO 38 58.433 -9.315 2.924 283 HD3 PRO 38 HD2 PRO 38 58.407 -9.810 1.217 284 H SER 39 H SER 39 59.191 -4.617 0.410 285 HA SER 39 HA SER 39 59.724 -3.511 2.970 286 HB2 SER 39 HB3 SER 39 62.042 -4.073 1.689 287 HB3 SER 39 HB2 SER 39 61.733 -2.449 1.071 288 HG SER 39 HG SER 39 62.866 -2.209 2.951 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 50.390 17.864 8.856 2 H2 HIS 1 H2 HIS 1 51.238 17.600 7.389 3 H3 HIS 1 H3 HIS 1 50.728 19.181 7.814 4 HA HIS 1 HA HIS 1 52.838 19.347 8.425 5 HB2 HIS 1 HB3 HIS 1 52.985 19.103 10.828 6 HB3 HIS 1 HB2 HIS 1 51.347 19.593 10.409 7 HD1 HIS 1 HD1 HIS 1 51.208 16.231 9.561 8 HD2 HIS 1 HD2 HIS 1 51.463 18.201 13.211 9 HE1 HIS 1 HE1 HIS 1 50.362 14.593 11.269 10 HE2 HIS 1 HE2 HIS 1 50.446 15.836 13.458 11 H GLY 2 H GLY 2 53.168 17.370 6.747 12 HA2 GLY 2 HA3 GLY 2 55.289 15.826 7.908 13 HA3 GLY 2 HA2 GLY 2 53.886 14.841 7.518 14 H GLU 3 H GLU 3 55.315 17.611 5.810 15 HA GLU 3 HA GLU 3 55.583 15.877 3.445 16 HB2 GLU 3 HB3 GLU 3 55.334 18.887 3.485 17 HB3 GLU 3 HB2 GLU 3 55.293 17.841 2.072 18 HG2 GLU 3 HG3 GLU 3 53.274 17.464 4.229 19 HG3 GLU 3 HG2 GLU 3 53.091 18.793 3.086 20 H GLY 4 H GLY 4 57.432 16.089 2.121 21 HA2 GLY 4 HA3 GLY 4 59.530 17.722 2.118 22 HA3 GLY 4 HA2 GLY 4 59.809 16.857 3.623 23 H THR 5 H THR 5 61.197 15.245 3.433 24 HA THR 5 HA THR 5 61.998 14.215 0.903 25 HB THR 5 HB THR 5 62.639 12.741 3.413 26 HG1 THR 5 HG1 THR 5 63.750 15.277 2.813 27 HG21 THR 5 HG21 THR 5 64.939 13.571 2.042 28 HG22 THR 5 HG22 THR 5 63.788 13.036 0.818 29 HG23 THR 5 HG23 THR 5 64.249 11.951 2.129 30 H PHE 6 H PHE 6 62.222 11.675 0.786 31 HA PHE 6 HA PHE 6 59.666 10.650 0.300 32 HB2 PHE 6 HB3 PHE 6 60.800 8.495 -0.058 33 HB3 PHE 6 HB2 PHE 6 61.666 9.815 -0.834 34 HD1 PHE 6 HD2 PHE 6 63.787 10.621 0.088 35 HD2 PHE 6 HD1 PHE 6 61.771 7.256 1.737 36 HE1 PHE 6 HE2 PHE 6 65.849 9.964 1.261 37 HE2 PHE 6 HE1 PHE 6 63.828 6.594 2.913 38 HZ PHE 6 HZ PHE 6 65.870 7.950 2.675 39 H THR 7 H THR 7 59.574 8.092 1.314 40 HA THR 7 HA THR 7 59.077 6.813 3.143 41 HB THR 7 HB THR 7 59.939 9.037 4.973 42 HG1 THR 7 HG1 THR 7 61.654 7.115 3.796 43 HG21 THR 7 HG21 THR 7 59.716 7.525 6.561 44 HG22 THR 7 HG22 THR 7 60.875 6.479 5.739 45 HG23 THR 7 HG23 THR 7 59.154 6.349 5.373 46 H SER 8 H SER 8 57.129 8.287 1.867 47 HA SER 8 HA SER 8 55.339 8.917 4.113 48 HB2 SER 8 HB3 SER 8 55.456 10.430 1.494 49 HB3 SER 8 HB2 SER 8 54.335 10.739 2.820 50 HG SER 8 HG SER 8 57.154 10.858 3.093 51 H ASP 9 H ASP 9 55.575 7.900 0.715 52 HA ASP 9 HA ASP 9 52.872 6.755 0.954 53 HB2 ASP 9 HB3 ASP 9 54.025 8.308 -1.078 54 HB3 ASP 9 HB2 ASP 9 53.953 6.676 -1.733 55 H LEU 10 H LEU 10 55.291 5.550 2.019 56 HA LEU 10 HA LEU 10 55.007 3.023 0.590 57 HB2 LEU 10 HB3 LEU 10 57.346 2.457 1.317 58 HB3 LEU 10 HB2 LEU 10 57.186 3.620 0.014 59 HG LEU 10 HG LEU 10 58.963 4.186 1.663 60 HD11 LEU 10 HD11 LEU 10 58.663 6.373 1.271 61 HD12 LEU 10 HD12 LEU 10 57.050 6.386 1.980 62 HD13 LEU 10 HD13 LEU 10 57.279 5.822 0.328 63 HD21 LEU 10 HD21 LEU 10 57.569 3.343 3.627 64 HD22 LEU 10 HD22 LEU 10 56.742 4.900 3.554 65 HD23 LEU 10 HD23 LEU 10 58.477 4.838 3.861 66 H SER 11 H SER 11 53.915 4.463 2.989 67 HA SER 11 HA SER 11 54.277 2.271 4.883 68 HB2 SER 11 HB3 SER 11 55.299 4.215 5.860 69 HB3 SER 11 HB2 SER 11 53.931 5.219 5.390 70 H LYS 12 H LYS 12 52.191 4.500 3.284 71 HA LYS 12 HA LYS 12 49.827 3.105 4.326 72 HB2 LYS 12 HB3 LYS 12 50.404 5.979 3.768 73 HB3 LYS 12 HB2 LYS 12 48.765 5.367 3.679 74 HG2 LYS 12 HG3 LYS 12 48.590 5.149 5.912 75 HG3 LYS 12 HG2 LYS 12 50.259 4.591 6.054 76 HD2 LYS 12 HD3 LYS 12 49.991 6.730 7.182 77 HD3 LYS 12 HD2 LYS 12 51.052 6.894 5.779 78 HE2 LYS 12 HE2 LYS 12 49.481 8.070 4.563 79 HE3 LYS 12 HE3 LYS 12 48.126 7.417 5.485 80 HZ1 LYS 12 HZ1 LYS 12 49.817 9.711 6.046 81 HZ2 LYS 12 HZ2 LYS 12 49.406 8.762 7.385 82 HZ3 LYS 12 HZ3 LYS 12 48.190 9.445 6.428 83 H GLN 13 H GLN 13 51.651 3.977 1.630 84 HA GLN 13 HA GLN 13 49.399 3.360 -0.151 85 HB2 GLN 13 HB3 GLN 13 50.148 5.668 -0.353 86 HB3 GLN 13 HB2 GLN 13 51.781 5.113 -0.678 87 HG2 GLN 13 HG3 GLN 13 51.333 5.026 -2.839 88 HG3 GLN 13 HG2 GLN 13 50.064 3.842 -2.531 89 HE21 GLN 13 HE21 GLN 13 48.111 5.124 -1.348 90 HE22 GLN 13 HE22 GLN 13 47.525 6.451 -2.302 91 H MET 14 H MET 14 52.873 2.905 0.415 92 HA MET 14 HA MET 14 52.750 0.800 -1.660 93 HB2 MET 14 HB3 MET 14 54.810 1.370 -2.289 94 HB3 MET 14 HB2 MET 14 54.773 2.698 -1.145 95 HG2 MET 14 HG3 MET 14 55.801 1.371 0.539 96 HG3 MET 14 HG2 MET 14 55.628 -0.096 -0.437 97 HE1 MET 14 HE1 MET 14 56.283 0.065 -2.899 98 HE2 MET 14 HE2 MET 14 58.017 0.140 -3.208 99 HE3 MET 14 HE3 MET 14 57.004 1.548 -3.520 100 H GLU 15 H GLU 15 52.756 1.455 1.636 101 HA GLU 15 HA GLU 15 53.599 -1.220 2.361 102 HB2 GLU 15 HB3 GLU 15 53.684 1.236 3.676 103 HB3 GLU 15 HB2 GLU 15 52.450 0.318 4.526 104 HG2 GLU 15 HG3 GLU 15 54.074 -1.530 4.766 105 HG3 GLU 15 HG2 GLU 15 55.304 -0.501 4.041 106 H GLU 16 H GLU 16 50.743 0.893 2.072 107 HA GLU 16 HA GLU 16 48.839 -0.720 3.310 108 HB2 GLU 16 HB3 GLU 16 48.825 1.458 1.477 109 HB3 GLU 16 HB2 GLU 16 47.715 0.238 0.873 110 HG2 GLU 16 HG3 GLU 16 46.579 0.211 3.037 111 HG3 GLU 16 HG2 GLU 16 47.677 1.456 3.623 112 H GLU 17 H GLU 17 50.431 -0.976 0.232 113 HA GLU 17 HA GLU 17 49.050 -3.435 -0.499 114 HB2 GLU 17 HB3 GLU 17 49.784 -3.046 -2.630 115 HB3 GLU 17 HB2 GLU 17 49.800 -1.393 -2.044 116 HG2 GLU 17 HG3 GLU 17 52.213 -1.767 -1.440 117 HG3 GLU 17 HG2 GLU 17 52.122 -3.259 -2.347 118 H DAL 18 H ALA 18 52.124 -2.135 0.534 119 HA DAL 18 HA ALA 18 53.942 -3.093 1.500 120 HB1 DAL 18 HB1 ALA 18 54.889 -3.707 -0.456 121 HB2 DAL 18 HB2 ALA 18 53.467 -4.605 -0.987 122 HB3 DAL 18 HB3 ALA 18 54.585 -5.326 0.169 123 H VAL 19 H VAL 19 51.648 -3.611 2.858 124 HA VAL 19 HA VAL 19 52.323 -5.864 4.417 125 HB VAL 19 HB VAL 19 49.671 -4.409 4.297 126 HG11 VAL 19 HG11 VAL 19 49.184 -6.262 5.552 127 HG12 VAL 19 HG12 VAL 19 49.792 -5.181 6.806 128 HG13 VAL 19 HG13 VAL 19 50.838 -6.435 6.139 129 HG21 VAL 19 HG21 VAL 19 52.122 -3.337 4.942 130 HG22 VAL 19 HG22 VAL 19 51.456 -3.790 6.510 131 HG23 VAL 19 HG23 VAL 19 50.552 -2.709 5.447 132 H ARG 20 H ARG 20 50.117 -5.349 1.737 133 HA ARG 20 HA ARG 20 48.694 -7.786 1.979 134 HB2 ARG 20 HB3 ARG 20 49.195 -6.075 -0.468 135 HB3 ARG 20 HB2 ARG 20 48.026 -7.385 -0.371 136 HG2 ARG 20 HG3 ARG 20 47.541 -5.607 1.790 137 HG3 ARG 20 HG2 ARG 20 47.686 -4.659 0.309 138 HD2 ARG 20 HD3 ARG 20 46.110 -6.449 -0.699 139 HD3 ARG 20 HD2 ARG 20 45.741 -6.835 0.982 140 HE ARG 20 HE ARG 20 44.537 -4.895 1.131 141 HH11 ARG 20 HH11 ARG 20 46.519 -4.778 -1.738 142 HH12 ARG 20 HH12 ARG 20 45.781 -3.332 -2.341 143 HH21 ARG 20 HH21 ARG 20 43.563 -2.992 0.339 144 HH22 ARG 20 HH22 ARG 20 44.104 -2.318 -1.161 145 H LEU 21 H LEU 21 51.658 -6.833 0.307 146 HA LEU 21 HA LEU 21 51.973 -9.549 -0.736 147 HB2 LEU 21 HB3 LEU 21 53.853 -7.226 -1.053 148 HB3 LEU 21 HB2 LEU 21 53.787 -8.693 -2.020 149 HG LEU 21 HG LEU 21 51.622 -6.609 -1.906 150 HD11 LEU 21 HD11 LEU 21 53.215 -7.094 -4.352 151 HD12 LEU 21 HD12 LEU 21 53.995 -6.201 -3.047 152 HD13 LEU 21 HD13 LEU 21 52.490 -5.604 -3.750 153 HD21 LEU 21 HD21 LEU 21 50.357 -7.920 -3.211 154 HD22 LEU 21 HD22 LEU 21 51.364 -9.227 -2.588 155 HD23 LEU 21 HD23 LEU 21 51.736 -8.492 -4.147 156 H TYR 22 H TYR 22 53.160 -7.484 1.779 157 HA TYR 22 HA TYR 22 55.493 -8.965 2.433 158 HB2 TYR 22 HB3 TYR 22 55.422 -6.785 3.308 159 HB3 TYR 22 HB2 TYR 22 53.763 -6.949 3.836 160 HD1 TYR 22 HD2 TYR 22 56.718 -9.118 4.464 161 HD2 TYR 22 HD1 TYR 22 53.739 -6.552 6.067 162 HE1 TYR 22 HE2 TYR 22 57.470 -9.676 6.737 163 HE2 TYR 22 HE1 TYR 22 54.466 -7.093 8.335 164 HH TYR 22 HH TYR 22 56.738 -7.932 9.400 165 H ILE 23 H ILE 23 52.198 -8.785 3.623 166 HA ILE 23 HA ILE 23 52.416 -10.920 5.456 167 HB ILE 23 HB ILE 23 50.007 -9.776 4.024 168 HG12 ILE 23 HG12 ILE 23 51.310 -8.302 5.621 169 HG13 ILE 23 HG13 ILE 23 49.612 -8.528 6.014 170 HG21 ILE 23 HG21 ILE 23 49.010 -10.932 6.246 171 HG22 ILE 23 HG22 ILE 23 50.300 -12.062 5.832 172 HG23 ILE 23 HG23 ILE 23 49.041 -11.693 4.656 173 HD11 ILE 23 HD11 ILE 23 51.883 -8.996 7.627 174 HD12 ILE 23 HD12 ILE 23 51.101 -10.550 7.332 175 HD13 ILE 23 HD13 ILE 23 50.181 -9.218 8.034 176 H GLN 24 H GLN 24 51.857 -10.620 2.011 177 HA GLN 24 HA GLN 24 50.984 -13.286 1.512 178 HB2 GLN 24 HB3 GLN 24 50.866 -11.323 -0.099 179 HB3 GLN 24 HB2 GLN 24 52.587 -11.539 -0.363 180 HG2 GLN 24 HG3 GLN 24 51.498 -12.630 -2.137 181 HG3 GLN 24 HG2 GLN 24 52.080 -13.896 -1.055 182 HE21 GLN 24 HE21 GLN 24 50.685 -15.394 -0.455 183 HE22 GLN 24 HE22 GLN 24 48.966 -15.290 -0.587 184 H TRP 25 H TRP 25 54.102 -11.640 1.418 185 HA TRP 25 HA TRP 25 55.795 -13.770 0.787 186 HB2 TRP 25 HB3 TRP 25 56.642 -11.508 0.861 187 HB3 TRP 25 HB2 TRP 25 56.196 -11.345 2.559 188 HD1 TRP 25 HD1 TRP 25 58.770 -13.091 0.318 189 HE1 TRP 25 HE1 TRP 25 60.800 -13.713 1.761 190 HE3 TRP 25 HE3 TRP 25 56.930 -11.779 4.884 191 HZ2 TRP 25 HZ2 TRP 25 61.537 -13.632 4.496 192 HZ3 TRP 25 HZ3 TRP 25 58.360 -12.064 6.863 193 HH2 TRP 25 HH2 TRP 25 60.608 -12.987 6.671 194 H LEU 26 H LEU 26 54.114 -12.861 3.673 195 HA LEU 26 HA LEU 26 55.471 -14.784 5.358 196 HB2 LEU 26 HB3 LEU 26 53.426 -12.650 5.734 197 HB3 LEU 26 HB2 LEU 26 53.477 -13.948 6.903 198 HG LEU 26 HG LEU 26 55.533 -11.842 6.351 199 HD11 LEU 26 HD11 LEU 26 53.699 -11.614 8.076 200 HD12 LEU 26 HD12 LEU 26 55.351 -11.405 8.661 201 HD13 LEU 26 HD13 LEU 26 54.495 -12.920 8.957 202 HD21 LEU 26 HD21 LEU 26 56.842 -13.829 6.289 203 HD22 LEU 26 HD22 LEU 26 55.980 -14.512 7.666 204 HD23 LEU 26 HD23 LEU 26 57.038 -13.118 7.892 205 H LYS 27 H LYS 27 52.471 -14.459 3.569 206 HA LYS 27 HA LYS 27 50.875 -16.365 4.753 207 HB2 LYS 27 HB3 LYS 27 51.102 -15.187 2.083 208 HB3 LYS 27 HB2 LYS 27 50.425 -16.809 2.065 209 HG2 LYS 27 HG3 LYS 27 48.986 -15.757 4.062 210 HG3 LYS 27 HG2 LYS 27 49.305 -14.296 3.126 211 HD2 LYS 27 HD3 LYS 27 47.985 -14.949 1.416 212 HD3 LYS 27 HD2 LYS 27 48.475 -16.640 1.552 213 HE2 LYS 27 HE2 LYS 27 46.683 -15.351 3.586 214 HE3 LYS 27 HE3 LYS 27 46.040 -16.038 2.096 215 HZ1 LYS 27 HZ1 LYS 27 47.280 -18.131 2.769 216 HZ2 LYS 27 HZ2 LYS 27 45.901 -17.741 3.667 217 HZ3 LYS 27 HZ3 LYS 27 47.437 -17.427 4.301 218 H GLU 28 H GLU 28 53.744 -16.820 2.849 219 HA GLU 28 HA GLU 28 53.322 -19.713 2.741 220 HB2 GLU 28 HB3 GLU 28 55.722 -18.307 1.616 221 HB3 GLU 28 HB2 GLU 28 54.978 -19.810 1.094 222 HG2 GLU 28 HG3 GLU 28 52.971 -18.003 0.680 223 HG3 GLU 28 HG2 GLU 28 54.412 -17.059 0.308 224 H GLY 29 H GLY 29 55.168 -17.281 4.408 225 HA2 GLY 29 HA3 GLY 29 55.982 -18.045 6.624 226 HA3 GLY 29 HA2 GLY 29 56.691 -19.418 5.764 227 H GLY 30 H GLY 30 56.676 -16.307 4.288 228 HA2 GLY 30 HA3 GLY 30 58.636 -15.403 3.286 229 HA3 GLY 30 HA2 GLY 30 58.524 -14.684 4.874 230 HA PRO 31 HA PRO 31 62.509 -16.193 5.801 231 HB2 PRO 31 HB3 PRO 31 62.358 -16.500 8.475 232 HB3 PRO 31 HB2 PRO 31 62.292 -14.909 7.707 233 HG2 PRO 31 HG3 PRO 31 60.054 -16.603 8.745 234 HG3 PRO 31 HG2 PRO 31 60.295 -14.856 8.897 235 HD2 PRO 31 HD3 PRO 31 58.637 -16.003 7.071 236 HD3 PRO 31 HD2 PRO 31 59.403 -14.449 6.838 237 H SER 32 H SER 32 61.348 -18.273 4.623 238 HA SER 32 HA SER 32 62.539 -20.521 5.803 239 HB2 SER 32 HB3 SER 32 60.127 -19.964 7.030 240 HB3 SER 32 HB2 SER 32 59.686 -21.176 5.829 241 HG SER 32 HG SER 32 61.373 -21.386 8.043 242 H SER 33 H SER 33 59.854 -19.458 3.745 243 HA SER 33 HA SER 33 59.778 -21.656 2.024 244 HB2 SER 33 HB3 SER 33 58.610 -19.042 2.141 245 HB3 SER 33 HB2 SER 33 59.194 -19.328 0.497 246 HG SER 33 HG SER 33 57.632 -20.697 0.224 247 H GLY 34 H GLY 34 61.659 -18.652 1.817 248 HA2 GLY 34 HA3 GLY 34 63.985 -18.937 1.018 249 HA3 GLY 34 HA2 GLY 34 63.319 -19.965 -0.250 250 H ARG 35 H ARG 35 63.270 -16.652 1.016 251 HA ARG 35 HA ARG 35 63.687 -15.479 -1.502 252 HB2 ARG 35 HB3 ARG 35 61.459 -14.376 -1.767 253 HB3 ARG 35 HB2 ARG 35 61.451 -16.110 -2.061 254 HG2 ARG 35 HG3 ARG 35 60.874 -15.888 0.631 255 HG3 ARG 35 HG2 ARG 35 60.009 -14.547 -0.110 256 HD2 ARG 35 HD3 ARG 35 59.837 -17.212 -1.411 257 HD3 ARG 35 HD2 ARG 35 58.941 -16.961 0.084 258 HE ARG 35 HE ARG 35 57.607 -15.367 -0.997 259 HH11 ARG 35 HH11 ARG 35 59.987 -16.737 -3.163 260 HH12 ARG 35 HH12 ARG 35 59.187 -16.173 -4.589 261 HH21 ARG 35 HH21 ARG 35 56.564 -14.630 -2.877 262 HH22 ARG 35 HH22 ARG 35 57.248 -14.979 -4.429 263 HA PRO 36 HA PRO 36 64.594 -12.121 1.215 264 HB2 PRO 36 HB3 PRO 36 64.829 -10.096 -0.519 265 HB3 PRO 36 HB2 PRO 36 65.970 -11.447 -0.524 266 HG2 PRO 36 HG3 PRO 36 63.602 -10.964 -2.291 267 HG3 PRO 36 HG2 PRO 36 65.235 -11.493 -2.738 268 HD2 PRO 36 HD3 PRO 36 63.125 -13.203 -2.447 269 HD3 PRO 36 HD2 PRO 36 64.814 -13.679 -2.163 270 HA PRO 37 HA PRO 37 60.285 -10.868 2.070 271 HB2 PRO 37 HB3 PRO 37 61.322 -9.225 4.171 272 HB3 PRO 37 HB2 PRO 37 60.471 -10.767 4.312 273 HG2 PRO 37 HG3 PRO 37 63.357 -10.197 4.427 274 HG3 PRO 37 HG2 PRO 37 62.454 -11.574 5.076 275 HD2 PRO 37 HD3 PRO 37 64.087 -11.764 2.920 276 HD3 PRO 37 HD2 PRO 37 62.642 -12.775 3.119 277 HA PRO 38 HA PRO 38 60.295 -6.914 0.088 278 HB2 PRO 38 HB3 PRO 38 57.843 -6.031 0.744 279 HB3 PRO 38 HB2 PRO 38 58.078 -7.398 -0.351 280 HG2 PRO 38 HG3 PRO 38 57.401 -7.409 2.565 281 HG3 PRO 38 HG2 PRO 38 56.712 -8.378 1.251 282 HD2 PRO 38 HD3 PRO 38 58.620 -9.318 2.952 283 HD3 PRO 38 HD2 PRO 38 58.444 -9.882 1.279 284 H SER 39 H SER 39 59.202 -4.577 0.791 285 HA SER 39 HA SER 39 60.968 -3.603 2.802 286 HB2 SER 39 HB3 SER 39 59.319 -1.511 2.425 287 HB3 SER 39 HB2 SER 39 60.605 -1.927 1.292 288 HG SER 39 HG SER 39 57.865 -2.128 1.015
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