NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
545619 | 2rsm | 11491 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -74.016 7.761 -41.136 2 HA2 GLY 1 1HA GLY 1 -72.214 7.873 -39.434 3 HA3 GLY 1 2HA GLY 1 -72.797 9.517 -39.065 4 H SER 2 H SER 2 -73.019 8.369 -36.770 5 HA SER 2 HA SER 2 -75.766 7.717 -36.367 6 HB2 SER 2 1HB SER 2 -74.589 5.477 -37.002 7 HB3 SER 2 2HB SER 2 -73.713 5.655 -35.465 8 HG SER 2 HG SER 2 -75.613 4.485 -35.112 9 H SER 3 H SER 3 -75.782 7.209 -33.760 10 HA SER 3 HA SER 3 -73.720 8.631 -32.282 11 HB2 SER 3 1HB SER 3 -75.530 10.125 -31.250 12 HB3 SER 3 2HB SER 3 -75.004 10.532 -32.887 13 HG SER 3 HG SER 3 -77.301 10.550 -32.624 14 H GLY 4 H GLY 4 -74.689 8.641 -29.787 15 HA2 GLY 4 1HA GLY 4 -76.479 6.659 -28.991 16 HA3 GLY 4 2HA GLY 4 -74.844 5.952 -29.016 17 H SER 5 H SER 5 -75.736 6.031 -26.526 18 HA SER 5 HA SER 5 -74.142 8.036 -25.205 19 HB2 SER 5 1HB SER 5 -76.326 9.224 -25.594 20 HB3 SER 5 2HB SER 5 -77.153 7.946 -24.679 21 HG SER 5 HG SER 5 -76.443 9.962 -23.557 22 H SER 6 H SER 6 -74.427 7.534 -22.718 23 HA SER 6 HA SER 6 -75.268 4.849 -21.988 24 HB2 SER 6 1HB SER 6 -72.294 5.502 -22.164 25 HB3 SER 6 2HB SER 6 -72.969 4.136 -21.262 26 HG SER 6 HG SER 6 -73.857 4.295 -23.864 27 H GLY 7 H GLY 7 -76.454 5.866 -20.343 28 HA2 GLY 7 1HA GLY 7 -75.315 7.891 -18.592 29 HA3 GLY 7 2HA GLY 7 -76.890 7.091 -18.441 30 H LYS 8 H LYS 8 -73.400 6.435 -18.131 31 HA LYS 8 HA LYS 8 -73.775 4.096 -16.412 32 HB2 LYS 8 1HB LYS 8 -71.274 5.692 -17.114 33 HB3 LYS 8 2HB LYS 8 -71.303 4.179 -16.196 34 HG2 LYS 8 1HG LYS 8 -72.371 3.043 -18.168 35 HG3 LYS 8 2HG LYS 8 -72.177 4.532 -19.099 36 HD2 LYS 8 1HD LYS 8 -69.917 2.918 -17.845 37 HD3 LYS 8 2HD LYS 8 -70.396 2.874 -19.552 38 HE2 LYS 8 1HE LYS 8 -69.886 5.300 -19.764 39 HE3 LYS 8 2HE LYS 8 -69.391 5.347 -18.065 40 HZ1 LYS 8 3HZ LYS 8 -68.079 3.746 -20.176 41 HZ2 LYS 8 1HZ LYS 8 -67.630 3.785 -18.591 42 HZ3 LYS 8 2HZ LYS 8 -67.498 5.135 -19.517 43 H TRP 9 H TRP 9 -75.032 4.894 -14.677 44 HA TRP 9 HA TRP 9 -74.040 7.086 -13.013 45 HB2 TRP 9 1HB TRP 9 -75.989 6.452 -11.596 46 HB3 TRP 9 2HB TRP 9 -76.432 6.791 -13.255 47 HD1 TRP 9 HD TRP 9 -77.399 4.819 -14.722 48 HE1 TRP 9 1HE TRP 9 -78.311 2.494 -14.177 49 HE3 TRP 9 3HE TRP 9 -75.748 4.400 -9.889 50 HZ2 TRP 9 2HZ TRP 9 -78.287 0.645 -11.947 51 HZ3 TRP 9 3HZ TRP 9 -76.206 2.336 -8.583 52 HH2 TRP 9 HH TRP 9 -77.467 0.461 -9.606 53 H GLY 10 H GLY 10 -73.876 6.436 -10.470 54 HA2 GLY 10 1HA GLY 10 -73.047 3.846 -9.765 55 HA3 GLY 10 2HA GLY 10 -71.613 4.808 -10.182 56 H LEU 11 H LEU 11 -71.693 4.009 -7.642 57 HA LEU 11 HA LEU 11 -72.209 6.437 -6.064 58 HB2 LEU 11 1HB LEU 11 -73.112 3.612 -5.277 59 HB3 LEU 11 2HB LEU 11 -72.936 4.957 -4.168 60 HG LEU 11 HG LEU 11 -74.601 6.187 -5.872 61 HD11 LEU 11 1HD1 LEU 11 -76.349 4.640 -6.674 62 HD12 LEU 11 2HD1 LEU 11 -75.415 3.242 -6.097 63 HD13 LEU 11 3HD1 LEU 11 -74.812 4.236 -7.436 64 HD21 LEU 11 3HD2 LEU 11 -76.456 5.513 -4.391 65 HD22 LEU 11 1HD2 LEU 11 -74.993 5.873 -3.470 66 HD23 LEU 11 2HD2 LEU 11 -75.472 4.183 -3.747 67 H ARG 12 H ARG 12 -70.896 6.114 -3.870 68 HA ARG 12 HA ARG 12 -68.716 4.235 -4.059 69 HB2 ARG 12 1HB ARG 12 -67.004 5.649 -4.432 70 HB3 ARG 12 2HB ARG 12 -68.178 6.447 -5.448 71 HG2 ARG 12 1HG ARG 12 -67.269 7.251 -2.665 72 HG3 ARG 12 2HG ARG 12 -66.825 8.040 -4.163 73 HD2 ARG 12 1HD ARG 12 -68.907 9.091 -4.408 74 HD3 ARG 12 2HD ARG 12 -69.739 7.953 -3.330 75 HE ARG 12 HE ARG 12 -67.954 8.991 -1.618 76 HH11 ARG 12 1HH1 ARG 12 -70.290 10.649 -3.696 77 HH12 ARG 12 2HH1 ARG 12 -70.445 12.007 -2.638 78 HH21 ARG 12 1HH2 ARG 12 -68.080 10.644 -0.311 79 HH22 ARG 12 2HH2 ARG 12 -69.117 12.019 -0.566 80 H LEU 13 H LEU 13 -67.302 4.491 -1.982 81 HA LEU 13 HA LEU 13 -68.627 5.849 0.243 82 HB2 LEU 13 1HB LEU 13 -69.024 3.062 -0.292 83 HB3 LEU 13 2HB LEU 13 -67.788 3.111 0.937 84 HG LEU 13 HG LEU 13 -69.959 2.855 1.934 85 HD11 LEU 13 1HD1 LEU 13 -68.321 4.222 3.205 86 HD12 LEU 13 2HD1 LEU 13 -69.995 4.634 3.567 87 HD13 LEU 13 3HD1 LEU 13 -69.050 5.706 2.530 88 HD21 LEU 13 3HD2 LEU 13 -71.771 4.448 1.744 89 HD22 LEU 13 1HD2 LEU 13 -71.297 3.913 0.123 90 HD23 LEU 13 2HD2 LEU 13 -70.806 5.513 0.705 91 H GLN 14 H GLN 14 -67.100 5.718 2.197 92 HA GLN 14 HA GLN 14 -64.422 4.942 1.992 93 HB2 GLN 14 1HB GLN 14 -63.463 7.282 2.205 94 HB3 GLN 14 2HB GLN 14 -63.856 6.755 0.603 95 HG2 GLN 14 1HG GLN 14 -65.870 8.417 2.182 96 HG3 GLN 14 2HG GLN 14 -64.457 9.192 1.494 97 HE21 GLN 14 1HE2 GLN 14 -64.482 7.386 -0.947 98 HE22 GLN 14 2HE2 GLN 14 -65.676 8.127 -1.969 99 H GLU 15 H GLU 15 -63.260 5.925 4.050 100 HA GLU 15 HA GLU 15 -65.059 6.750 6.173 101 HB2 GLU 15 1HB GLU 15 -64.256 3.984 5.789 102 HB3 GLU 15 2HB GLU 15 -63.386 4.597 7.178 103 HG2 GLU 15 1HG GLU 15 -66.403 4.891 6.841 104 HG3 GLU 15 2HG GLU 15 -65.637 3.494 7.603 105 H LYS 16 H LYS 16 -63.600 7.081 8.133 106 HA LYS 16 HA LYS 16 -61.546 8.953 7.462 107 HB2 LYS 16 1HB LYS 16 -61.330 9.203 9.891 108 HB3 LYS 16 2HB LYS 16 -63.014 9.131 9.395 109 HG2 LYS 16 1HG LYS 16 -62.910 6.616 9.996 110 HG3 LYS 16 2HG LYS 16 -61.362 6.944 10.741 111 HD2 LYS 16 1HD LYS 16 -62.258 8.169 12.455 112 HD3 LYS 16 2HD LYS 16 -63.617 8.768 11.495 113 HE2 LYS 16 1HE LYS 16 -63.363 5.843 12.283 114 HE3 LYS 16 2HE LYS 16 -64.181 7.017 13.343 115 HZ1 LYS 16 3HZ LYS 16 -64.977 6.746 10.494 116 HZ2 LYS 16 1HZ LYS 16 -65.909 7.237 11.770 117 HZ3 LYS 16 2HZ LYS 16 -65.483 5.673 11.455 118 HA PRO 17 HA PRO 17 -58.013 6.276 7.418 119 HB2 PRO 17 1HB PRO 17 -55.948 7.905 8.184 120 HB3 PRO 17 2HB PRO 17 -56.849 8.151 6.651 121 HG2 PRO 17 1HG PRO 17 -57.275 9.548 9.315 122 HG3 PRO 17 2HG PRO 17 -57.122 10.293 7.686 123 HD2 PRO 17 1HD PRO 17 -59.548 9.770 8.859 124 HD3 PRO 17 2HD PRO 17 -59.321 9.650 7.101 125 H ALA 18 H ALA 18 -56.204 5.420 8.854 126 HA ALA 18 HA ALA 18 -57.025 5.306 11.706 127 HB1 ALA 18 1HB ALA 18 -57.440 3.204 10.440 128 HB2 ALA 18 2HB ALA 18 -55.718 3.158 9.975 129 HB3 ALA 18 3HB ALA 18 -56.189 2.991 11.679 130 H LEU 19 H LEU 19 -55.066 4.443 13.034 131 HA LEU 19 HA LEU 19 -52.900 6.396 12.718 132 HB2 LEU 19 1HB LEU 19 -53.668 4.340 14.839 133 HB3 LEU 19 2HB LEU 19 -52.103 5.109 14.874 134 HG LEU 19 HG LEU 19 -53.595 6.183 16.408 135 HD11 LEU 19 1HD1 LEU 19 -53.214 8.494 15.823 136 HD12 LEU 19 2HD1 LEU 19 -53.020 8.097 14.109 137 HD13 LEU 19 3HD1 LEU 19 -51.825 7.532 15.301 138 HD21 LEU 19 3HD2 LEU 19 -55.331 7.082 14.078 139 HD22 LEU 19 1HD2 LEU 19 -55.542 7.464 15.793 140 HD23 LEU 19 2HD2 LEU 19 -55.753 5.796 15.238 141 H LEU 20 H LEU 20 -50.601 5.561 13.119 142 HA LEU 20 HA LEU 20 -50.021 3.032 11.757 143 HB2 LEU 20 1HB LEU 20 -48.212 4.169 10.553 144 HB3 LEU 20 2HB LEU 20 -49.806 4.722 10.088 145 HG LEU 20 HG LEU 20 -49.441 6.795 11.503 146 HD11 LEU 20 1HD1 LEU 20 -47.652 6.181 13.029 147 HD12 LEU 20 2HD1 LEU 20 -47.037 7.418 11.951 148 HD13 LEU 20 3HD1 LEU 20 -46.586 5.722 11.678 149 HD21 LEU 20 3HD2 LEU 20 -49.145 6.752 9.058 150 HD22 LEU 20 1HD2 LEU 20 -47.446 6.270 9.260 151 HD23 LEU 20 2HD2 LEU 20 -48.005 7.864 9.820 152 H PHE 21 H PHE 21 -47.469 2.717 12.073 153 HA PHE 21 HA PHE 21 -46.790 3.305 14.904 154 HB2 PHE 21 1HB PHE 21 -46.530 0.724 13.306 155 HB3 PHE 21 2HB PHE 21 -45.684 1.000 14.812 156 HD1 PHE 21 2HD PHE 21 -49.023 0.430 13.296 157 HD2 PHE 21 1HD PHE 21 -46.838 1.019 16.970 158 HE1 PHE 21 2HE PHE 21 -50.990 -0.332 14.593 159 HE2 PHE 21 1HE PHE 21 -48.807 0.245 18.261 160 HZ PHE 21 HZ PHE 21 -50.887 -0.430 17.077 161 HA PRO 22 HA PRO 22 -43.033 4.756 13.064 162 HB2 PRO 22 1HB PRO 22 -41.178 4.484 15.050 163 HB3 PRO 22 2HB PRO 22 -42.566 5.602 15.199 164 HG2 PRO 22 1HG PRO 22 -42.330 2.774 16.280 165 HG3 PRO 22 2HG PRO 22 -42.844 4.249 17.158 166 HD2 PRO 22 1HD PRO 22 -44.630 2.492 16.069 167 HD3 PRO 22 2HD PRO 22 -44.956 4.248 16.099 168 H GLY 23 H GLY 23 -40.787 4.108 12.451 169 HA2 GLY 23 1HA GLY 23 -40.555 1.176 11.963 170 HA3 GLY 23 2HA GLY 23 -39.936 2.466 10.911 171 H MET 24 H MET 24 -38.124 0.616 11.579 172 HA MET 24 HA MET 24 -36.732 1.250 14.054 173 HB2 MET 24 1HB MET 24 -35.086 -0.370 13.334 174 HB3 MET 24 2HB MET 24 -36.703 -1.022 13.099 175 HG2 MET 24 1HG MET 24 -36.545 -0.480 10.660 176 HG3 MET 24 2HG MET 24 -34.927 0.174 10.929 177 HE1 MET 24 3HE MET 24 -36.085 -4.310 11.029 178 HE2 MET 24 1HE MET 24 -36.741 -3.190 12.239 179 HE3 MET 24 2HE MET 24 -37.149 -2.982 10.519 180 H ALA 25 H ALA 25 -34.349 1.868 13.981 181 HA ALA 25 HA ALA 25 -33.530 3.663 11.809 182 HB1 ALA 25 1HB ALA 25 -34.761 5.167 13.324 183 HB2 ALA 25 2HB ALA 25 -33.867 4.536 14.725 184 HB3 ALA 25 3HB ALA 25 -33.015 5.452 13.463 185 H ALA 26 H ALA 26 -32.153 1.866 11.478 186 HA ALA 26 HA ALA 26 -30.445 0.871 13.622 187 HB1 ALA 26 1HB ALA 26 -31.470 -0.583 11.902 188 HB2 ALA 26 2HB ALA 26 -30.503 0.239 10.650 189 HB3 ALA 26 3HB ALA 26 -29.693 -0.706 11.920 190 H SER 27 H SER 27 -28.006 0.476 12.516 191 HA SER 27 HA SER 27 -26.963 2.990 11.460 192 HB2 SER 27 1HB SER 27 -26.993 2.825 14.139 193 HB3 SER 27 2HB SER 27 -25.594 1.773 13.867 194 HG SER 27 HG SER 27 -24.748 3.786 13.981 195 H THR 28 H THR 28 -24.598 2.652 10.785 196 HA THR 28 HA THR 28 -23.817 -0.156 10.489 197 HB THR 28 HB THR 28 -25.338 0.202 8.665 198 HG1 THR 28 1HG THR 28 -22.963 0.317 7.270 199 HG21 THR 28 3HG2 THR 28 -24.887 1.790 6.832 200 HG22 THR 28 1HG2 THR 28 -23.569 2.507 7.793 201 HG23 THR 28 2HG2 THR 28 -25.239 2.611 8.356 202 H VAL 29 H VAL 29 -21.737 -0.342 9.425 203 HA VAL 29 HA VAL 29 -19.742 1.029 10.803 204 HB VAL 29 HB VAL 29 -19.770 -1.297 9.863 205 HG11 VAL 29 1HG1 VAL 29 -20.551 -0.852 7.570 206 HG12 VAL 29 2HG1 VAL 29 -19.018 -0.017 7.214 207 HG13 VAL 29 3HG1 VAL 29 -19.027 -1.746 7.592 208 HG21 VAL 29 3HG2 VAL 29 -17.287 0.309 9.183 209 HG22 VAL 29 1HG2 VAL 29 -17.725 -0.391 10.766 210 HG23 VAL 29 2HG2 VAL 29 -17.394 -1.437 9.392 211 H GLN 30 H GLN 30 -17.960 2.346 9.982 212 HA GLN 30 HA GLN 30 -18.725 4.163 7.755 213 HB2 GLN 30 1HB GLN 30 -17.249 4.731 10.375 214 HB3 GLN 30 2HB GLN 30 -17.505 5.898 9.085 215 HG2 GLN 30 1HG GLN 30 -19.727 4.629 10.733 216 HG3 GLN 30 2HG GLN 30 -19.025 6.224 10.995 217 HE21 GLN 30 1HE2 GLN 30 -21.513 6.631 10.752 218 HE22 GLN 30 2HE2 GLN 30 -22.055 7.029 9.130 219 H VAL 31 H VAL 31 -16.636 5.407 7.042 220 HA VAL 31 HA VAL 31 -14.843 3.471 5.913 221 HB VAL 31 HB VAL 31 -13.617 5.430 5.112 222 HG11 VAL 31 1HG1 VAL 31 -15.353 6.438 3.749 223 HG12 VAL 31 2HG1 VAL 31 -15.646 4.700 3.918 224 HG13 VAL 31 3HG1 VAL 31 -16.611 5.853 4.861 225 HG21 VAL 31 3HG2 VAL 31 -14.118 7.695 5.669 226 HG22 VAL 31 1HG2 VAL 31 -15.460 7.202 6.716 227 HG23 VAL 31 2HG2 VAL 31 -13.781 6.820 7.168 228 H ALA 32 H ALA 32 -12.354 3.780 6.106 229 HA ALA 32 HA ALA 32 -11.750 3.305 8.866 230 HB1 ALA 32 1HB ALA 32 -9.449 2.872 7.979 231 HB2 ALA 32 2HB ALA 32 -10.699 2.033 7.034 232 HB3 ALA 32 3HB ALA 32 -9.957 3.515 6.403 233 H GLY 33 H GLY 33 -11.524 6.185 6.912 234 HA2 GLY 33 1HA GLY 33 -11.102 8.364 7.644 235 HA3 GLY 33 2HA GLY 33 -10.524 7.750 9.214 236 H ARG 34 H ARG 34 -8.559 6.325 9.021 237 HA ARG 34 HA ARG 34 -6.371 7.761 7.658 238 HB2 ARG 34 1HB ARG 34 -6.436 5.202 9.358 239 HB3 ARG 34 2HB ARG 34 -4.984 5.982 8.775 240 HG2 ARG 34 1HG ARG 34 -5.020 6.582 10.939 241 HG3 ARG 34 2HG ARG 34 -5.624 8.028 10.142 242 HD2 ARG 34 1HD ARG 34 -7.875 7.610 10.955 243 HD3 ARG 34 2HD ARG 34 -7.450 5.945 11.435 244 HE ARG 34 HE ARG 34 -5.636 7.515 12.753 245 HH11 ARG 34 1HH1 ARG 34 -9.196 7.363 12.961 246 HH12 ARG 34 2HH1 ARG 34 -9.196 7.918 14.609 247 HH21 ARG 34 1HH2 ARG 34 -5.647 8.170 14.728 248 HH22 ARG 34 2HH2 ARG 34 -7.076 8.434 15.692 249 H LYS 35 H LYS 35 -4.716 6.184 6.585 250 HA LYS 35 HA LYS 35 -5.829 3.817 5.344 251 HB2 LYS 35 1HB LYS 35 -6.487 5.972 3.909 252 HB3 LYS 35 2HB LYS 35 -4.780 5.959 3.457 253 HG2 LYS 35 1HG LYS 35 -5.185 3.534 2.670 254 HG3 LYS 35 2HG LYS 35 -6.901 3.805 2.984 255 HD2 LYS 35 1HD LYS 35 -6.383 4.052 0.638 256 HD3 LYS 35 2HD LYS 35 -6.821 5.650 1.285 257 HE2 LYS 35 1HE LYS 35 -4.516 6.347 1.317 258 HE3 LYS 35 2HE LYS 35 -3.934 4.684 1.170 259 HZ1 LYS 35 3HZ LYS 35 -5.336 6.143 -0.967 260 HZ2 LYS 35 1HZ LYS 35 -4.642 4.621 -1.073 261 HZ3 LYS 35 2HZ LYS 35 -3.706 5.949 -0.838 262 H ASP 36 H ASP 36 -3.447 5.166 6.807 263 HA ASP 36 HA ASP 36 -1.410 3.333 5.630 264 HB2 ASP 36 1HB ASP 36 -1.405 6.007 5.341 265 HB3 ASP 36 2HB ASP 36 -0.392 5.889 6.762 266 H TYR 37 H TYR 37 -2.538 2.070 7.193 267 HA TYR 37 HA TYR 37 -2.053 2.438 10.003 268 HB2 TYR 37 1HB TYR 37 -2.631 -0.311 9.083 269 HB3 TYR 37 2HB TYR 37 -3.381 0.662 10.304 270 HD1 TYR 37 2HD TYR 37 -4.569 2.974 9.023 271 HD2 TYR 37 1HD TYR 37 -4.063 -0.991 7.387 272 HE1 TYR 37 2HE TYR 37 -6.652 3.238 7.719 273 HE2 TYR 37 1HE TYR 37 -6.031 -0.654 5.950 274 HH TYR 37 HH TYR 37 -7.806 0.736 5.424 275 HA PRO 38 HA PRO 38 1.542 -0.678 9.421 276 HB2 PRO 38 1HB PRO 38 2.440 -1.345 6.908 277 HB3 PRO 38 2HB PRO 38 1.137 -2.241 7.743 278 HG2 PRO 38 1HG PRO 38 0.834 -0.012 5.689 279 HG3 PRO 38 2HG PRO 38 0.022 -1.613 5.710 280 HD2 PRO 38 1HD PRO 38 -1.212 0.569 6.643 281 HD3 PRO 38 2HD PRO 38 -1.357 -0.997 7.478 282 H ALA 39 H ALA 39 3.887 -0.279 8.981 283 HA ALA 39 HA ALA 39 4.973 1.776 7.423 284 HB1 ALA 39 1HB ALA 39 5.697 3.299 9.276 285 HB2 ALA 39 2HB ALA 39 3.951 3.371 9.001 286 HB3 ALA 39 3HB ALA 39 4.608 2.451 10.382 287 H LEU 40 H LEU 40 7.239 1.869 7.855 288 HA LEU 40 HA LEU 40 9.162 0.638 7.812 289 HB2 LEU 40 1HB LEU 40 8.728 1.157 10.758 290 HB3 LEU 40 2HB LEU 40 10.273 0.694 10.023 291 HG LEU 40 HG LEU 40 8.741 3.235 9.358 292 HD11 LEU 40 1HD1 LEU 40 9.720 3.272 11.619 293 HD12 LEU 40 2HD1 LEU 40 10.588 4.369 10.534 294 HD13 LEU 40 3HD1 LEU 40 11.303 2.805 10.957 295 HD21 LEU 40 3HD2 LEU 40 10.890 3.865 8.197 296 HD22 LEU 40 1HD2 LEU 40 10.018 2.566 7.404 297 HD23 LEU 40 2HD2 LEU 40 11.453 2.200 8.398 298 H LEU 41 H LEU 41 7.586 -1.067 7.171 299 HA LEU 41 HA LEU 41 6.921 -3.350 8.496 300 HB2 LEU 41 1HB LEU 41 8.091 -3.182 5.691 301 HB3 LEU 41 2HB LEU 41 7.318 -4.618 6.334 302 HG LEU 41 HG LEU 41 5.985 -1.958 5.734 303 HD11 LEU 41 1HD1 LEU 41 5.622 -4.798 4.670 304 HD12 LEU 41 2HD1 LEU 41 6.431 -3.457 3.830 305 HD13 LEU 41 3HD1 LEU 41 4.695 -3.372 4.182 306 HD21 LEU 41 3HD2 LEU 41 3.853 -3.135 6.399 307 HD22 LEU 41 1HD2 LEU 41 4.907 -2.746 7.758 308 HD23 LEU 41 2HD2 LEU 41 4.847 -4.414 7.133 309 HA PRO 42 HA PRO 42 10.590 -5.407 9.790 310 HB2 PRO 42 1HB PRO 42 9.788 -8.019 9.986 311 HB3 PRO 42 2HB PRO 42 9.231 -6.735 11.102 312 HG2 PRO 42 1HG PRO 42 7.792 -7.843 8.674 313 HG3 PRO 42 2HG PRO 42 7.127 -7.522 10.302 314 HD2 PRO 42 1HD PRO 42 6.840 -5.779 8.230 315 HD3 PRO 42 2HD PRO 42 7.024 -5.201 9.901 316 H LEU 43 H LEU 43 12.247 -5.504 8.375 317 HA LEU 43 HA LEU 43 11.927 -6.969 5.783 318 HB2 LEU 43 1HB LEU 43 13.830 -4.817 6.741 319 HB3 LEU 43 2HB LEU 43 14.273 -5.894 5.442 320 HG LEU 43 HG LEU 43 12.704 -3.519 5.336 321 HD11 LEU 43 1HD1 LEU 43 14.426 -4.031 3.767 322 HD12 LEU 43 2HD1 LEU 43 12.923 -3.916 2.870 323 HD13 LEU 43 3HD1 LEU 43 13.583 -5.514 3.233 324 HD21 LEU 43 3HD2 LEU 43 10.631 -4.822 5.558 325 HD22 LEU 43 1HD2 LEU 43 11.098 -5.775 4.115 326 HD23 LEU 43 2HD2 LEU 43 10.793 -4.027 4.008 327 H ASN 44 H ASN 44 12.239 -8.997 6.076 328 HA ASN 44 HA ASN 44 13.859 -10.236 8.067 329 HB2 ASN 44 1HB ASN 44 11.889 -11.205 6.918 330 HB3 ASN 44 2HB ASN 44 12.797 -11.291 5.422 331 HD21 ASN 44 1HD2 ASN 44 12.039 -13.545 5.748 332 HD22 ASN 44 2HD2 ASN 44 12.726 -14.583 7.026 333 H GLU 45 H GLU 45 16.028 -9.812 8.062 334 HA GLU 45 HA GLU 45 17.480 -9.308 5.701 335 HB2 GLU 45 1HB GLU 45 19.334 -9.020 7.007 336 HB3 GLU 45 2HB GLU 45 17.979 -8.548 7.997 337 HG2 GLU 45 1HG GLU 45 19.132 -9.713 9.561 338 HG3 GLU 45 2HG GLU 45 18.097 -11.005 8.949 339 H SER 46 H SER 46 16.692 -12.444 7.175 340 HA SER 46 HA SER 46 18.707 -13.916 5.675 341 HB2 SER 46 1HB SER 46 16.169 -14.825 7.108 342 HB3 SER 46 2HB SER 46 17.496 -15.874 6.573 343 HG SER 46 HG SER 46 18.859 -14.916 7.999 344 H GLU 47 H GLU 47 16.199 -12.190 4.471 345 HA GLU 47 HA GLU 47 15.367 -14.213 2.441 346 HB2 GLU 47 1HB GLU 47 13.859 -13.052 4.311 347 HB3 GLU 47 2HB GLU 47 13.800 -11.741 3.164 348 HG2 GLU 47 1HG GLU 47 12.947 -13.467 1.481 349 HG3 GLU 47 2HG GLU 47 12.888 -14.635 2.819 350 H LEU 48 H LEU 48 17.614 -11.961 2.735 351 HA LEU 48 HA LEU 48 17.026 -10.536 0.173 352 HB2 LEU 48 1HB LEU 48 19.144 -9.663 2.104 353 HB3 LEU 48 2HB LEU 48 18.258 -8.714 0.915 354 HG LEU 48 HG LEU 48 17.249 -9.701 3.605 355 HD11 LEU 48 1HD1 LEU 48 18.870 -7.857 3.733 356 HD12 LEU 48 2HD1 LEU 48 17.256 -7.332 4.226 357 HD13 LEU 48 3HD1 LEU 48 17.868 -6.894 2.621 358 HD21 LEU 48 3HD2 LEU 48 15.282 -9.642 2.252 359 HD22 LEU 48 1HD2 LEU 48 15.772 -8.095 1.511 360 HD23 LEU 48 2HD2 LEU 48 15.273 -8.197 3.221 361 H GLU 49 H GLU 49 18.926 -10.015 -1.131 362 HA GLU 49 HA GLU 49 21.171 -11.967 -1.029 363 HB2 GLU 49 1HB GLU 49 19.820 -10.996 -3.588 364 HB3 GLU 49 2HB GLU 49 21.108 -12.136 -3.444 365 HG2 GLU 49 1HG GLU 49 18.439 -12.787 -2.126 366 HG3 GLU 49 2HG GLU 49 18.588 -12.873 -3.867 367 H GLU 50 H GLU 50 23.065 -10.872 -1.076 368 HA GLU 50 HA GLU 50 23.079 -7.992 -1.790 369 HB2 GLU 50 1HB GLU 50 24.902 -7.687 -0.307 370 HB3 GLU 50 2HB GLU 50 23.608 -8.481 0.572 371 HG2 GLU 50 1HG GLU 50 25.982 -10.017 -0.607 372 HG3 GLU 50 2HG GLU 50 26.024 -9.261 0.976 373 H GLN 51 H GLN 51 25.231 -7.211 -2.561 374 HA GLN 51 HA GLN 51 26.731 -9.105 -4.223 375 HB2 GLN 51 1HB GLN 51 25.299 -6.604 -5.202 376 HB3 GLN 51 2HB GLN 51 26.554 -7.436 -6.119 377 HG2 GLN 51 1HG GLN 51 25.102 -9.388 -6.351 378 HG3 GLN 51 2HG GLN 51 23.884 -8.672 -5.280 379 HE21 GLN 51 1HE2 GLN 51 22.297 -7.453 -6.248 380 HE22 GLN 51 2HE2 GLN 51 22.455 -6.623 -7.780 381 H PHE 52 H PHE 52 28.794 -8.084 -4.872 382 HA PHE 52 HA PHE 52 29.569 -5.762 -3.140 383 HB2 PHE 52 1HB PHE 52 31.302 -8.181 -3.727 384 HB3 PHE 52 2HB PHE 52 31.621 -6.880 -2.593 385 HD1 PHE 52 2HD PHE 52 30.228 -6.726 -0.452 386 HD2 PHE 52 1HD PHE 52 29.918 -10.088 -3.145 387 HE1 PHE 52 2HE PHE 52 29.098 -8.061 1.319 388 HE2 PHE 52 1HE PHE 52 28.808 -11.405 -1.371 389 HZ PHE 52 HZ PHE 52 28.412 -10.406 0.863 390 H VAL 53 H VAL 53 30.894 -4.219 -4.117 391 HA VAL 53 HA VAL 53 31.221 -4.478 -7.030 392 HB VAL 53 HB VAL 53 31.760 -2.190 -5.083 393 HG11 VAL 53 1HG1 VAL 53 31.796 -2.182 -8.139 394 HG12 VAL 53 2HG1 VAL 53 31.869 -0.745 -7.103 395 HG13 VAL 53 3HG1 VAL 53 33.189 -1.907 -7.064 396 HG21 VAL 53 3HG2 VAL 53 29.378 -2.684 -5.286 397 HG22 VAL 53 1HG2 VAL 53 29.718 -1.193 -6.144 398 HG23 VAL 53 2HG2 VAL 53 29.476 -2.698 -7.058 399 H LYS 54 H LYS 54 33.151 -4.788 -7.989 400 HA LYS 54 HA LYS 54 35.619 -4.925 -6.290 401 HB2 LYS 54 1HB LYS 54 35.088 -6.713 -8.681 402 HB3 LYS 54 2HB LYS 54 36.394 -6.814 -7.496 403 HG2 LYS 54 1HG LYS 54 34.592 -7.273 -5.724 404 HG3 LYS 54 2HG LYS 54 33.437 -7.416 -7.056 405 HD2 LYS 54 1HD LYS 54 34.954 -9.238 -8.034 406 HD3 LYS 54 2HD LYS 54 35.888 -9.129 -6.534 407 HE2 LYS 54 1HE LYS 54 34.430 -10.917 -6.109 408 HE3 LYS 54 2HE LYS 54 33.673 -9.549 -5.280 409 HZ1 LYS 54 3HZ LYS 54 32.190 -9.332 -7.262 410 HZ2 LYS 54 1HZ LYS 54 32.024 -10.768 -6.510 411 HZ3 LYS 54 2HZ LYS 54 32.867 -10.662 -7.910 412 H GLY 55 H GLY 55 34.033 -3.562 -9.020 413 HA2 GLY 55 1HA GLY 55 35.600 -1.512 -9.663 414 HA3 GLY 55 2HA GLY 55 36.247 -2.854 -10.659 415 H HIS 56 H HIS 56 35.200 -1.540 -12.521 416 HA HIS 56 HA HIS 56 32.404 -2.394 -12.934 417 HB2 HIS 56 1HB HIS 56 32.525 0.008 -12.137 418 HB3 HIS 56 2HB HIS 56 33.550 0.367 -13.528 419 HD1 HIS 56 1HD HIS 56 32.239 0.088 -16.020 420 HD2 HIS 56 2HD HIS 56 29.937 0.061 -12.479 421 HE1 HIS 56 1HE HIS 56 29.863 0.664 -16.706 422 H GLY 57 H GLY 57 32.029 -2.771 -15.221 423 HA2 GLY 57 1HA GLY 57 34.409 -3.603 -16.665 424 HA3 GLY 57 2HA GLY 57 32.710 -3.707 -17.196 425 HA PRO 58 HA PRO 58 35.032 -0.150 -19.321 426 HB2 PRO 58 1HB PRO 58 34.618 -0.965 -21.945 427 HB3 PRO 58 2HB PRO 58 36.058 -1.375 -20.967 428 HG2 PRO 58 1HG PRO 58 33.585 -3.057 -21.443 429 HG3 PRO 58 2HG PRO 58 35.303 -3.562 -21.508 430 HD2 PRO 58 1HD PRO 58 33.768 -4.018 -19.315 431 HD3 PRO 58 2HD PRO 58 35.486 -3.549 -19.142 432 H GLY 59 H GLY 59 33.641 1.534 -19.155 433 HA2 GLY 59 1HA GLY 59 31.030 1.479 -20.550 434 HA3 GLY 59 2HA GLY 59 31.084 1.849 -18.819 435 H GLY 60 H GLY 60 33.807 2.876 -20.721 436 HA2 GLY 60 1HA GLY 60 34.550 4.922 -21.427 437 HA3 GLY 60 2HA GLY 60 32.855 5.382 -21.656 438 H GLN 61 H GLN 61 32.177 7.017 -20.397 439 HA GLN 61 HA GLN 61 33.823 8.201 -18.383 440 HB2 GLN 61 1HB GLN 61 30.874 8.612 -19.052 441 HB3 GLN 61 2HB GLN 61 31.785 9.597 -17.903 442 HG2 GLN 61 1HG GLN 61 33.417 10.160 -19.742 443 HG3 GLN 61 2HG GLN 61 32.350 9.338 -20.886 444 HE21 GLN 61 1HE2 GLN 61 30.088 10.224 -21.122 445 HE22 GLN 61 2HE2 GLN 61 29.767 11.871 -20.602 446 H ALA 62 H ALA 62 33.179 8.568 -16.119 447 HA ALA 62 HA ALA 62 32.772 7.946 -14.044 448 HB1 ALA 62 1HB ALA 62 30.379 7.808 -14.636 449 HB2 ALA 62 2HB ALA 62 30.573 6.092 -15.030 450 HB3 ALA 62 3HB ALA 62 30.853 6.652 -13.380 451 H THR 63 H THR 63 32.082 4.744 -15.452 452 HA THR 63 HA THR 63 32.867 2.689 -14.911 453 HB THR 63 HB THR 63 35.409 4.065 -15.848 454 HG1 THR 63 1HG THR 63 34.148 4.226 -17.557 455 HG21 THR 63 3HG2 THR 63 36.011 1.794 -16.693 456 HG22 THR 63 1HG2 THR 63 34.610 1.115 -15.842 457 HG23 THR 63 2HG2 THR 63 35.943 1.838 -14.927 458 H ASN 64 H ASN 64 32.315 2.763 -12.712 459 HA ASN 64 HA ASN 64 33.804 3.851 -10.622 460 HB2 ASN 64 1HB ASN 64 31.636 1.805 -10.818 461 HB3 ASN 64 2HB ASN 64 32.619 1.753 -9.362 462 HD21 ASN 64 1HD2 ASN 64 31.080 2.637 -7.869 463 HD22 ASN 64 2HD2 ASN 64 30.648 4.329 -7.958 464 H LYS 65 H LYS 65 35.157 2.993 -9.000 465 HA LYS 65 HA LYS 65 36.936 0.813 -9.977 466 HB2 LYS 65 1HB LYS 65 37.607 3.318 -8.359 467 HB3 LYS 65 2HB LYS 65 38.708 1.987 -8.665 468 HG2 LYS 65 1HG LYS 65 39.375 3.420 -10.306 469 HG3 LYS 65 2HG LYS 65 38.243 2.407 -11.194 470 HD2 LYS 65 1HD LYS 65 36.498 4.239 -10.838 471 HD3 LYS 65 2HD LYS 65 37.772 5.233 -10.119 472 HE2 LYS 65 1HE LYS 65 39.003 5.298 -12.192 473 HE3 LYS 65 2HE LYS 65 38.042 3.967 -12.873 474 HZ1 LYS 65 3HZ LYS 65 37.368 6.099 -13.776 475 HZ2 LYS 65 1HZ LYS 65 36.902 6.631 -12.292 476 HZ3 LYS 65 2HZ LYS 65 36.146 5.358 -13.004 477 H THR 66 H THR 66 38.175 -0.274 -8.195 478 HA THR 66 HA THR 66 36.551 -1.718 -6.541 479 HB THR 66 HB THR 66 39.500 -1.071 -6.138 480 HG1 THR 66 1HG THR 66 38.407 -2.973 -7.950 481 HG21 THR 66 3HG2 THR 66 37.921 -3.653 -5.713 482 HG22 THR 66 1HG2 THR 66 38.559 -2.588 -4.440 483 HG23 THR 66 2HG2 THR 66 39.675 -3.453 -5.508 484 H SER 67 H SER 67 35.519 -1.257 -4.623 485 HA SER 67 HA SER 67 36.647 0.484 -2.631 486 HB2 SER 67 1HB SER 67 34.455 1.874 -2.663 487 HB3 SER 67 2HB SER 67 35.688 2.266 -3.867 488 HG SER 67 HG SER 67 34.538 1.180 -5.428 489 H ASN 68 H ASN 68 35.141 0.289 -0.644 490 HA ASN 68 HA ASN 68 34.123 -2.452 -0.485 491 HB2 ASN 68 1HB ASN 68 35.456 -1.403 1.327 492 HB3 ASN 68 2HB ASN 68 34.161 -0.220 1.583 493 HD21 ASN 68 1HD2 ASN 68 33.031 -0.776 3.438 494 HD22 ASN 68 2HD2 ASN 68 32.551 -2.414 3.827 495 H CYS 69 H CYS 69 32.694 -0.758 -2.349 496 HA CYS 69 HA CYS 69 30.233 0.214 -1.160 497 HB2 CYS 69 1HB CYS 69 31.226 1.151 -3.253 498 HB3 CYS 69 2HB CYS 69 30.895 -0.386 -4.074 499 HG CYS 69 HG CYS 69 28.541 1.124 -2.333 500 H VAL 70 H VAL 70 28.795 -1.111 -0.328 501 HA VAL 70 HA VAL 70 28.594 -3.925 -1.258 502 HB VAL 70 HB VAL 70 27.519 -2.479 1.214 503 HG11 VAL 70 1HG1 VAL 70 25.963 -4.270 0.587 504 HG12 VAL 70 2HG1 VAL 70 27.309 -5.424 0.428 505 HG13 VAL 70 3HG1 VAL 70 26.879 -4.743 2.015 506 HG21 VAL 70 3HG2 VAL 70 29.747 -4.527 0.836 507 HG22 VAL 70 1HG2 VAL 70 29.927 -2.856 1.386 508 HG23 VAL 70 2HG2 VAL 70 29.103 -4.032 2.416 509 H VAL 71 H VAL 71 26.681 -4.595 -2.255 510 HA VAL 71 HA VAL 71 24.677 -2.474 -2.839 511 HB VAL 71 HB VAL 71 25.705 -4.692 -4.621 512 HG11 VAL 71 1HG1 VAL 71 24.345 -3.598 -6.390 513 HG12 VAL 71 2HG1 VAL 71 23.335 -4.216 -5.082 514 HG13 VAL 71 3HG1 VAL 71 23.681 -2.478 -5.172 515 HG21 VAL 71 3HG2 VAL 71 26.564 -2.768 -6.022 516 HG22 VAL 71 1HG2 VAL 71 26.295 -1.729 -4.591 517 HG23 VAL 71 2HG2 VAL 71 27.407 -3.093 -4.506 518 H LEU 72 H LEU 72 22.561 -3.084 -2.519 519 HA LEU 72 HA LEU 72 21.978 -5.868 -1.728 520 HB2 LEU 72 1HB LEU 72 22.581 -4.606 0.360 521 HB3 LEU 72 2HB LEU 72 21.408 -3.361 -0.084 522 HG LEU 72 HG LEU 72 19.585 -5.122 0.071 523 HD11 LEU 72 1HD1 LEU 72 21.788 -6.780 1.337 524 HD12 LEU 72 2HD1 LEU 72 20.897 -7.188 -0.145 525 HD13 LEU 72 3HD1 LEU 72 20.050 -7.129 1.410 526 HD21 LEU 72 3HD2 LEU 72 19.534 -5.066 2.526 527 HD22 LEU 72 1HD2 LEU 72 19.986 -3.505 1.833 528 HD23 LEU 72 2HD2 LEU 72 21.233 -4.551 2.555 529 H LYS 73 H LYS 73 19.756 -6.352 -2.136 530 HA LYS 73 HA LYS 73 18.060 -4.192 -3.058 531 HB2 LYS 73 1HB LYS 73 17.597 -4.965 -5.187 532 HB3 LYS 73 2HB LYS 73 19.338 -4.859 -5.066 533 HG2 LYS 73 1HG LYS 73 19.102 -6.736 -6.306 534 HG3 LYS 73 2HG LYS 73 19.238 -7.458 -4.706 535 HD2 LYS 73 1HD LYS 73 16.798 -7.780 -4.641 536 HD3 LYS 73 2HD LYS 73 16.579 -6.746 -6.049 537 HE2 LYS 73 1HE LYS 73 16.224 -8.915 -6.789 538 HE3 LYS 73 2HE LYS 73 17.791 -8.440 -7.443 539 HZ1 LYS 73 3HZ LYS 73 18.803 -10.079 -6.216 540 HZ2 LYS 73 1HZ LYS 73 17.326 -10.713 -6.115 541 HZ3 LYS 73 2HZ LYS 73 17.882 -9.811 -4.862 542 H HIS 74 H HIS 74 15.878 -4.934 -3.308 543 HA HIS 74 HA HIS 74 15.301 -7.113 -1.296 544 HB2 HIS 74 1HB HIS 74 14.185 -4.720 -1.271 545 HB3 HIS 74 2HB HIS 74 13.208 -5.378 -2.563 546 HD1 HIS 74 1HD HIS 74 10.892 -6.369 -1.379 547 HD2 HIS 74 2HD HIS 74 14.386 -6.484 0.989 548 HE1 HIS 74 1HE HIS 74 10.226 -7.385 0.813 549 H VAL 75 H VAL 75 14.402 -9.081 -2.044 550 HA VAL 75 HA VAL 75 14.617 -9.635 -4.832 551 HB VAL 75 HB VAL 75 13.638 -11.239 -2.452 552 HG11 VAL 75 1HG1 VAL 75 13.640 -13.203 -3.965 553 HG12 VAL 75 2HG1 VAL 75 12.380 -12.039 -4.371 554 HG13 VAL 75 3HG1 VAL 75 13.856 -12.112 -5.359 555 HG21 VAL 75 3HG2 VAL 75 15.734 -12.488 -2.914 556 HG22 VAL 75 1HG2 VAL 75 16.144 -11.311 -4.161 557 HG23 VAL 75 2HG2 VAL 75 16.020 -10.805 -2.466 558 HA PRO 76 HA PRO 76 9.864 -9.971 -5.164 559 HB2 PRO 76 1HB PRO 76 8.277 -8.948 -3.136 560 HB3 PRO 76 2HB PRO 76 8.788 -10.656 -3.277 561 HG2 PRO 76 1HG PRO 76 10.052 -8.458 -1.632 562 HG3 PRO 76 2HG PRO 76 9.626 -10.125 -1.113 563 HD2 PRO 76 1HD PRO 76 12.124 -9.460 -1.816 564 HD3 PRO 76 2HD PRO 76 11.428 -11.017 -2.351 565 H SER 77 H SER 77 11.012 -7.222 -3.370 566 HA SER 77 HA SER 77 9.269 -5.341 -4.867 567 HB2 SER 77 1HB SER 77 9.797 -5.090 -2.430 568 HB3 SER 77 2HB SER 77 11.433 -4.623 -2.884 569 HG SER 77 HG SER 77 9.156 -3.217 -3.738 570 H GLY 78 H GLY 78 12.557 -6.532 -5.245 571 HA2 GLY 78 1HA GLY 78 14.145 -6.169 -6.744 572 HA3 GLY 78 2HA GLY 78 12.964 -5.437 -7.800 573 H ILE 79 H ILE 79 13.087 -3.644 -4.864 574 HA ILE 79 HA ILE 79 14.376 -1.419 -6.137 575 HB ILE 79 HB ILE 79 13.911 -1.905 -3.159 576 HG12 ILE 79 1HG1 ILE 79 12.132 -0.444 -5.165 577 HG13 ILE 79 2HG1 ILE 79 11.821 -2.021 -4.480 578 HG21 ILE 79 1HG2 ILE 79 14.092 0.549 -2.949 579 HG22 ILE 79 2HG2 ILE 79 15.573 -0.110 -3.602 580 HG23 ILE 79 3HG2 ILE 79 14.404 0.689 -4.692 581 HD11 ILE 79 3HD1 ILE 79 10.538 -0.572 -3.166 582 HD12 ILE 79 1HD1 ILE 79 11.944 -0.916 -2.155 583 HD13 ILE 79 2HD1 ILE 79 11.816 0.631 -3.037 584 H VAL 80 H VAL 80 16.548 -0.959 -6.263 585 HA VAL 80 HA VAL 80 18.465 -2.633 -4.725 586 HB VAL 80 HB VAL 80 18.881 -1.128 -7.342 587 HG11 VAL 80 1HG1 VAL 80 20.584 -3.220 -5.920 588 HG12 VAL 80 2HG1 VAL 80 20.835 -2.696 -7.591 589 HG13 VAL 80 3HG1 VAL 80 21.006 -1.532 -6.276 590 HG21 VAL 80 3HG2 VAL 80 18.828 -3.348 -8.478 591 HG22 VAL 80 1HG2 VAL 80 18.217 -4.082 -7.012 592 HG23 VAL 80 2HG2 VAL 80 17.264 -2.852 -7.853 593 H VAL 81 H VAL 81 20.314 -1.621 -3.900 594 HA VAL 81 HA VAL 81 20.516 1.297 -3.967 595 HB VAL 81 HB VAL 81 18.892 0.776 -2.167 596 HG11 VAL 81 1HG1 VAL 81 19.916 -1.301 -1.256 597 HG12 VAL 81 2HG1 VAL 81 21.272 -0.332 -0.633 598 HG13 VAL 81 3HG1 VAL 81 19.633 -0.079 -0.011 599 HG21 VAL 81 3HG2 VAL 81 20.128 2.868 -2.236 600 HG22 VAL 81 1HG2 VAL 81 19.740 2.375 -0.592 601 HG23 VAL 81 2HG2 VAL 81 21.396 2.157 -1.200 602 H LYS 82 H LYS 82 22.555 2.048 -3.622 603 HA LYS 82 HA LYS 82 24.775 0.096 -3.111 604 HB2 LYS 82 1HB LYS 82 24.722 2.471 -5.024 605 HB3 LYS 82 2HB LYS 82 26.103 1.426 -4.683 606 HG2 LYS 82 1HG LYS 82 24.868 -0.488 -5.657 607 HG3 LYS 82 2HG LYS 82 23.497 0.552 -6.024 608 HD2 LYS 82 1HD LYS 82 26.128 1.586 -6.992 609 HD3 LYS 82 2HD LYS 82 25.646 0.036 -7.685 610 HE2 LYS 82 1HE LYS 82 24.857 1.760 -9.147 611 HE3 LYS 82 2HE LYS 82 23.479 0.983 -8.373 612 HZ1 LYS 82 3HZ LYS 82 23.191 3.325 -8.415 613 HZ2 LYS 82 1HZ LYS 82 24.589 3.630 -7.660 614 HZ3 LYS 82 2HZ LYS 82 23.344 2.874 -6.858 615 H CYS 83 H CYS 83 25.342 0.641 -1.021 616 HA CYS 83 HA CYS 83 25.767 3.512 -0.363 617 HB2 CYS 83 1HB CYS 83 23.943 2.137 0.760 618 HB3 CYS 83 2HB CYS 83 25.220 1.150 1.484 619 HG CYS 83 HG CYS 83 23.908 3.174 2.925 620 H HIS 84 H HIS 84 27.599 4.002 0.985 621 HA HIS 84 HA HIS 84 29.699 2.038 1.415 622 HB2 HIS 84 1HB HIS 84 30.139 2.681 -0.944 623 HB3 HIS 84 2HB HIS 84 30.143 4.382 -0.491 624 HD1 HIS 84 1HD HIS 84 32.544 5.319 0.128 625 HD2 HIS 84 2HD HIS 84 32.082 1.173 0.517 626 HE1 HIS 84 1HE HIS 84 34.861 4.381 0.611 627 H GLN 85 H GLN 85 29.654 2.544 3.594 628 HA GLN 85 HA GLN 85 29.939 5.426 4.338 629 HB2 GLN 85 1HB GLN 85 27.929 3.839 5.065 630 HB3 GLN 85 2HB GLN 85 29.075 3.291 6.275 631 HG2 GLN 85 1HG GLN 85 28.305 6.207 5.815 632 HG3 GLN 85 2HG GLN 85 27.429 5.159 6.912 633 HE21 GLN 85 1HE2 GLN 85 28.729 4.215 8.906 634 HE22 GLN 85 2HE2 GLN 85 30.156 5.149 9.327 635 H THR 86 H THR 86 31.222 2.118 4.934 636 HA THR 86 HA THR 86 33.694 3.353 6.035 637 HB THR 86 HB THR 86 33.727 1.674 7.799 638 HG1 THR 86 1HG THR 86 31.357 0.726 6.557 639 HG21 THR 86 3HG2 THR 86 30.932 2.850 7.897 640 HG22 THR 86 1HG2 THR 86 32.411 3.748 8.310 641 HG23 THR 86 2HG2 THR 86 31.943 2.316 9.249 642 H ARG 87 H ARG 87 35.353 1.513 6.341 643 HA ARG 87 HA ARG 87 35.710 0.118 3.778 644 HB2 ARG 87 1HB ARG 87 37.979 -0.291 4.567 645 HB3 ARG 87 2HB ARG 87 37.546 1.391 4.785 646 HG2 ARG 87 1HG ARG 87 38.641 0.977 6.763 647 HG3 ARG 87 2HG ARG 87 36.980 0.739 7.256 648 HD2 ARG 87 1HD ARG 87 38.175 -0.992 8.274 649 HD3 ARG 87 2HD ARG 87 37.378 -1.796 6.946 650 HE ARG 87 HE ARG 87 40.236 -1.095 7.248 651 HH11 ARG 87 1HH1 ARG 87 37.834 -2.783 5.189 652 HH12 ARG 87 2HH1 ARG 87 38.997 -3.800 4.445 653 HH21 ARG 87 1HH2 ARG 87 41.781 -2.424 6.197 654 HH22 ARG 87 2HH2 ARG 87 41.296 -3.560 5.000 655 H SER 88 H SER 88 33.992 -0.694 6.530 656 HA SER 88 HA SER 88 34.860 -3.511 6.665 657 HB2 SER 88 1HB SER 88 33.027 -1.735 8.298 658 HB3 SER 88 2HB SER 88 33.366 -3.424 8.689 659 HG SER 88 HG SER 88 34.596 -1.744 9.768 660 H VAL 89 H VAL 89 33.796 -4.859 5.264 661 HA VAL 89 HA VAL 89 31.550 -4.221 3.762 662 HB VAL 89 HB VAL 89 33.110 -5.922 3.146 663 HG11 VAL 89 1HG1 VAL 89 32.069 -7.758 5.340 664 HG12 VAL 89 2HG1 VAL 89 33.282 -8.116 4.114 665 HG13 VAL 89 3HG1 VAL 89 33.648 -6.933 5.366 666 HG21 VAL 89 3HG2 VAL 89 30.830 -6.064 2.230 667 HG22 VAL 89 1HG2 VAL 89 31.601 -7.650 2.341 668 HG23 VAL 89 2HG2 VAL 89 30.367 -7.187 3.532 669 H ASP 90 H ASP 90 31.537 -6.283 6.777 670 HA ASP 90 HA ASP 90 28.738 -6.450 6.783 671 HB2 ASP 90 1HB ASP 90 30.887 -7.294 8.588 672 HB3 ASP 90 2HB ASP 90 29.380 -6.890 9.431 673 H GLN 91 H GLN 91 30.589 -3.652 7.821 674 HA GLN 91 HA GLN 91 28.431 -2.693 9.553 675 HB2 GLN 91 1HB GLN 91 30.965 -1.481 8.359 676 HB3 GLN 91 2HB GLN 91 29.788 -0.590 9.285 677 HG2 GLN 91 1HG GLN 91 30.121 -2.143 11.232 678 HG3 GLN 91 2HG GLN 91 31.379 -2.978 10.303 679 HE21 GLN 91 1HE2 GLN 91 30.519 0.261 11.730 680 HE22 GLN 91 2HE2 GLN 91 32.202 0.720 11.920 681 H ASN 92 H ASN 92 29.793 -2.170 6.255 682 HA ASN 92 HA ASN 92 27.878 -0.279 5.402 683 HB2 ASN 92 1HB ASN 92 29.659 -2.207 3.884 684 HB3 ASN 92 2HB ASN 92 28.504 -1.144 3.062 685 HD21 ASN 92 1HD2 ASN 92 30.802 -0.440 2.127 686 HD22 ASN 92 2HD2 ASN 92 31.607 0.797 3.058 687 H ARG 93 H ARG 93 27.762 -3.836 5.409 688 HA ARG 93 HA ARG 93 25.410 -4.280 3.888 689 HB2 ARG 93 1HB ARG 93 26.490 -5.715 6.354 690 HB3 ARG 93 2HB ARG 93 25.072 -6.271 5.489 691 HG2 ARG 93 1HG ARG 93 26.352 -6.771 3.497 692 HG3 ARG 93 2HG ARG 93 27.776 -6.002 4.152 693 HD2 ARG 93 1HD ARG 93 28.443 -7.970 4.950 694 HD3 ARG 93 2HD ARG 93 27.114 -7.917 6.117 695 HE ARG 93 HE ARG 93 25.915 -8.929 3.885 696 HH11 ARG 93 1HH1 ARG 93 28.669 -9.942 5.958 697 HH12 ARG 93 2HH1 ARG 93 28.516 -11.601 5.553 698 HH21 ARG 93 1HH2 ARG 93 25.771 -11.176 3.316 699 HH22 ARG 93 2HH2 ARG 93 26.842 -12.316 4.015 700 H LYS 94 H LYS 94 25.644 -3.818 7.470 701 HA LYS 94 HA LYS 94 22.896 -3.739 8.021 702 HB2 LYS 94 1HB LYS 94 25.265 -2.298 9.312 703 HB3 LYS 94 2HB LYS 94 23.631 -2.212 9.989 704 HG2 LYS 94 1HG LYS 94 23.488 -4.436 10.407 705 HG3 LYS 94 2HG LYS 94 24.741 -4.869 9.236 706 HD2 LYS 94 1HD LYS 94 26.435 -3.711 10.791 707 HD3 LYS 94 2HD LYS 94 25.150 -3.701 12.007 708 HE2 LYS 94 1HE LYS 94 26.618 -5.611 12.345 709 HE3 LYS 94 2HE LYS 94 25.008 -6.174 11.889 710 HZ1 LYS 94 3HZ LYS 94 25.803 -6.686 9.718 711 HZ2 LYS 94 1HZ LYS 94 26.925 -7.310 10.737 712 HZ3 LYS 94 2HZ LYS 94 27.202 -5.908 9.915 713 H ILE 95 H ILE 95 25.027 -1.014 7.212 714 HA ILE 95 HA ILE 95 22.968 0.818 7.528 715 HB ILE 95 HB ILE 95 25.478 0.986 5.787 716 HG12 ILE 95 1HG1 ILE 95 25.164 2.157 8.611 717 HG13 ILE 95 2HG1 ILE 95 25.689 0.508 8.396 718 HG21 ILE 95 1HG2 ILE 95 25.372 3.467 6.056 719 HG22 ILE 95 2HG2 ILE 95 23.958 2.850 5.209 720 HG23 ILE 95 3HG2 ILE 95 23.831 3.303 6.916 721 HD11 ILE 95 3HD1 ILE 95 27.684 1.663 8.597 722 HD12 ILE 95 1HD1 ILE 95 27.543 1.404 6.855 723 HD13 ILE 95 2HD1 ILE 95 27.134 2.990 7.558 724 H ALA 96 H ALA 96 23.966 -1.111 4.719 725 HA ALA 96 HA ALA 96 22.362 0.253 2.754 726 HB1 ALA 96 1HB ALA 96 24.311 -1.148 2.212 727 HB2 ALA 96 2HB ALA 96 23.490 -2.587 2.852 728 HB3 ALA 96 3HB ALA 96 22.829 -1.779 1.424 729 H ARG 97 H ARG 97 21.858 -2.498 5.004 730 HA ARG 97 HA ARG 97 19.348 -3.354 4.064 731 HB2 ARG 97 1HB ARG 97 21.048 -4.421 5.733 732 HB3 ARG 97 2HB ARG 97 20.245 -3.433 6.954 733 HG2 ARG 97 1HG ARG 97 18.043 -4.493 6.054 734 HG3 ARG 97 2HG ARG 97 19.091 -5.673 5.250 735 HD2 ARG 97 1HD ARG 97 19.081 -4.984 8.204 736 HD3 ARG 97 2HD ARG 97 18.235 -6.371 7.500 737 HE ARG 97 HE ARG 97 20.901 -6.637 6.710 738 HH11 ARG 97 1HH1 ARG 97 19.131 -6.401 9.803 739 HH12 ARG 97 2HH1 ARG 97 20.216 -7.400 10.682 740 HH21 ARG 97 1HH2 ARG 97 22.297 -8.114 7.865 741 HH22 ARG 97 2HH2 ARG 97 22.083 -8.353 9.567 742 H LYS 98 H LYS 98 20.142 -1.004 6.703 743 HA LYS 98 HA LYS 98 17.418 -0.461 7.211 744 HB2 LYS 98 1HB LYS 98 18.013 1.265 8.627 745 HB3 LYS 98 2HB LYS 98 19.280 0.066 8.748 746 HG2 LYS 98 1HG LYS 98 20.514 1.964 8.798 747 HG3 LYS 98 2HG LYS 98 20.565 1.638 7.086 748 HD2 LYS 98 1HD LYS 98 18.707 3.330 6.765 749 HD3 LYS 98 2HD LYS 98 18.748 3.611 8.516 750 HE2 LYS 98 1HE LYS 98 21.169 4.252 8.312 751 HE3 LYS 98 2HE LYS 98 21.027 4.095 6.554 752 HZ1 LYS 98 3HZ LYS 98 19.271 5.848 6.682 753 HZ2 LYS 98 1HZ LYS 98 20.746 6.378 7.176 754 HZ3 LYS 98 2HZ LYS 98 19.590 6.060 8.266 755 H VAL 99 H VAL 99 19.637 1.327 4.919 756 HA VAL 99 HA VAL 99 17.553 3.172 4.286 757 HB VAL 99 HB VAL 99 19.918 3.590 3.805 758 HG11 VAL 99 1HG1 VAL 99 20.987 2.757 1.760 759 HG12 VAL 99 2HG1 VAL 99 20.718 1.526 2.990 760 HG13 VAL 99 3HG1 VAL 99 19.668 1.578 1.565 761 HG21 VAL 99 3HG2 VAL 99 19.549 4.705 1.631 762 HG22 VAL 99 1HG2 VAL 99 18.137 3.699 1.305 763 HG23 VAL 99 2HG2 VAL 99 18.107 4.871 2.637 764 H LEU 100 H LEU 100 18.260 -0.071 2.976 765 HA LEU 100 HA LEU 100 16.357 0.133 0.836 766 HB2 LEU 100 1HB LEU 100 18.104 -1.573 0.823 767 HB3 LEU 100 2HB LEU 100 17.471 -2.280 2.295 768 HG LEU 100 HG LEU 100 15.387 -2.944 1.113 769 HD11 LEU 100 1HD1 LEU 100 15.314 -2.793 -1.378 770 HD12 LEU 100 2HD1 LEU 100 16.769 -1.776 -1.362 771 HD13 LEU 100 3HD1 LEU 100 15.245 -1.200 -0.631 772 HD21 LEU 100 3HD2 LEU 100 16.331 -4.720 -0.185 773 HD22 LEU 100 1HD2 LEU 100 17.410 -4.430 1.167 774 HD23 LEU 100 2HD2 LEU 100 17.843 -3.814 -0.445 775 H GLN 101 H GLN 101 16.054 -0.820 4.271 776 HA GLN 101 HA GLN 101 13.420 -1.826 4.149 777 HB2 GLN 101 1HB GLN 101 14.827 -2.253 6.028 778 HB3 GLN 101 2HB GLN 101 15.029 -0.547 6.389 779 HG2 GLN 101 1HG GLN 101 12.907 -0.324 7.348 780 HG3 GLN 101 2HG GLN 101 12.269 -1.756 6.549 781 HE21 GLN 101 1HE2 GLN 101 11.749 -3.125 8.322 782 HE22 GLN 101 2HE2 GLN 101 12.984 -3.700 9.434 783 H GLU 102 H GLU 102 14.582 1.560 4.546 784 HA GLU 102 HA GLU 102 12.006 2.700 4.998 785 HB2 GLU 102 1HB GLU 102 14.331 3.929 3.452 786 HB3 GLU 102 2HB GLU 102 13.032 4.789 4.232 787 HG2 GLU 102 1HG GLU 102 15.277 3.253 5.590 788 HG3 GLU 102 2HG GLU 102 15.151 4.981 5.436 789 H LYS 103 H LYS 103 13.811 2.018 1.998 790 HA LYS 103 HA LYS 103 11.840 3.176 0.268 791 HB2 LYS 103 1HB LYS 103 14.054 1.135 -0.278 792 HB3 LYS 103 2HB LYS 103 13.009 1.853 -1.501 793 HG2 LYS 103 1HG LYS 103 13.752 4.139 -0.370 794 HG3 LYS 103 2HG LYS 103 15.141 3.194 0.172 795 HD2 LYS 103 1HD LYS 103 14.204 3.193 -2.733 796 HD3 LYS 103 2HD LYS 103 15.145 4.512 -2.103 797 HE2 LYS 103 1HE LYS 103 17.038 3.128 -1.624 798 HE3 LYS 103 2HE LYS 103 16.115 1.646 -1.906 799 HZ1 LYS 103 3HZ LYS 103 17.388 2.121 -3.897 800 HZ2 LYS 103 1HZ LYS 103 16.865 3.691 -3.914 801 HZ3 LYS 103 2HZ LYS 103 15.825 2.487 -4.239 802 H VAL 104 H VAL 104 12.273 -0.188 1.370 803 HA VAL 104 HA VAL 104 10.244 -1.250 -0.399 804 HB VAL 104 HB VAL 104 11.621 -2.286 2.098 805 HG11 VAL 104 1HG1 VAL 104 10.797 -4.542 1.500 806 HG12 VAL 104 2HG1 VAL 104 9.454 -3.473 1.906 807 HG13 VAL 104 3HG1 VAL 104 9.800 -3.835 0.205 808 HG21 VAL 104 3HG2 VAL 104 13.028 -2.003 0.015 809 HG22 VAL 104 1HG2 VAL 104 12.874 -3.687 0.523 810 HG23 VAL 104 2HG2 VAL 104 11.915 -3.077 -0.843 811 H ASP 105 H ASP 105 10.226 0.182 2.893 812 HA ASP 105 HA ASP 105 7.728 -0.662 3.777 813 HB2 ASP 105 1HB ASP 105 9.424 0.616 5.066 814 HB3 ASP 105 2HB ASP 105 9.043 2.052 4.113 815 H VAL 106 H VAL 106 8.387 2.435 2.121 816 HA VAL 106 HA VAL 106 5.700 3.112 1.611 817 HB VAL 106 HB VAL 106 8.084 3.916 -0.105 818 HG11 VAL 106 1HG1 VAL 106 5.915 4.639 -1.041 819 HG12 VAL 106 2HG1 VAL 106 5.456 5.344 0.527 820 HG13 VAL 106 3HG1 VAL 106 6.803 6.025 -0.412 821 HG21 VAL 106 3HG2 VAL 106 8.291 5.872 1.434 822 HG22 VAL 106 1HG2 VAL 106 7.111 5.113 2.527 823 HG23 VAL 106 2HG2 VAL 106 8.683 4.340 2.218 824 H PHE 107 H PHE 107 7.851 0.982 -0.260 825 HA PHE 107 HA PHE 107 6.262 0.862 -2.669 826 HB2 PHE 107 1HB PHE 107 8.640 0.195 -2.343 827 HB3 PHE 107 2HB PHE 107 8.105 -1.234 -1.480 828 HD1 PHE 107 1HD PHE 107 6.686 -3.001 -2.714 829 HD2 PHE 107 2HD PHE 107 8.827 0.180 -4.701 830 HE1 PHE 107 1HE PHE 107 6.819 -4.348 -4.772 831 HE2 PHE 107 2HE PHE 107 8.990 -1.199 -6.728 832 HZ PHE 107 HZ PHE 107 7.961 -3.469 -6.798 833 H TYR 108 H TYR 108 5.834 -0.568 0.496 834 HA TYR 108 HA TYR 108 3.825 -2.535 -0.503 835 HB2 TYR 108 1HB TYR 108 5.438 -2.184 2.031 836 HB3 TYR 108 2HB TYR 108 3.915 -3.042 2.066 837 HD1 TYR 108 1HD TYR 108 7.013 -3.083 -0.118 838 HD2 TYR 108 2HD TYR 108 4.020 -5.337 2.018 839 HE1 TYR 108 1HE TYR 108 8.133 -5.194 -0.765 840 HE2 TYR 108 2HE TYR 108 5.135 -7.420 1.416 841 HH TYR 108 HH TYR 108 6.850 -8.390 0.225 842 H ASN 109 H ASN 109 4.235 0.372 1.534 843 HA ASN 109 HA ASN 109 1.453 0.418 2.448 844 HB2 ASN 109 1HB ASN 109 3.524 2.627 2.538 845 HB3 ASN 109 2HB ASN 109 2.016 2.538 3.459 846 HD21 ASN 109 1HD2 ASN 109 4.941 2.686 4.311 847 HD22 ASN 109 2HD2 ASN 109 5.230 1.243 5.260 848 H SER 110 H SER 110 3.106 1.460 -0.414 849 HA SER 110 HA SER 110 0.742 2.932 -1.337 850 HB2 SER 110 1HB SER 110 2.827 4.362 -0.472 851 HB3 SER 110 2HB SER 110 3.513 3.906 -2.039 852 HG SER 110 HG SER 110 1.107 5.268 -1.432 853 H GLY 111 H GLY 111 1.844 3.490 -3.848 854 HA2 GLY 111 1HA GLY 111 2.009 0.760 -5.041 855 HA3 GLY 111 2HA GLY 111 1.235 2.165 -5.794 856 HA PRO 112 HA PRO 112 5.598 1.777 -7.391 857 HB2 PRO 112 1HB PRO 112 5.067 2.003 -10.072 858 HB3 PRO 112 2HB PRO 112 4.804 0.472 -9.187 859 HG2 PRO 112 1HG PRO 112 2.768 2.610 -9.793 860 HG3 PRO 112 2HG PRO 112 2.657 0.853 -10.140 861 HD2 PRO 112 1HD PRO 112 1.543 1.911 -7.914 862 HD3 PRO 112 2HD PRO 112 2.368 0.333 -7.841 863 H SER 113 H SER 113 6.621 3.441 -9.164 864 HA SER 113 HA SER 113 5.514 6.160 -8.666 865 HB2 SER 113 1HB SER 113 7.820 6.946 -8.351 866 HB3 SER 113 2HB SER 113 7.339 5.804 -7.096 867 HG SER 113 HG SER 113 8.605 4.856 -9.398 868 H SER 114 H SER 114 4.617 6.381 -10.670 869 HA SER 114 HA SER 114 4.426 6.652 -12.893 870 HB2 SER 114 1HB SER 114 6.152 8.344 -12.287 871 HB3 SER 114 2HB SER 114 7.412 7.193 -12.761 872 HG SER 114 HG SER 114 7.196 8.102 -14.589 873 H GLY 115 H GLY 115 3.867 4.274 -12.913 874 HA2 GLY 115 1HA GLY 115 4.738 2.940 -15.068 875 HA3 GLY 115 2HA GLY 115 5.832 2.384 -13.776 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -87.902 54.962 47.366 2 HA2 GLY 1 1HA GLY 1 -86.533 56.931 47.960 3 HA3 GLY 1 2HA GLY 1 -86.680 56.412 49.660 4 H SER 2 H SER 2 -84.092 56.609 49.002 5 HA SER 2 HA SER 2 -83.199 53.841 48.533 6 HB2 SER 2 1HB SER 2 -81.874 56.353 47.425 7 HB3 SER 2 2HB SER 2 -81.431 54.663 47.111 8 HG SER 2 HG SER 2 -82.634 55.448 45.380 9 H SER 3 H SER 3 -81.157 53.433 49.749 10 HA SER 3 HA SER 3 -81.085 54.521 52.274 11 HB2 SER 3 1HB SER 3 -78.668 53.289 50.930 12 HB3 SER 3 2HB SER 3 -79.241 53.107 52.597 13 HG SER 3 HG SER 3 -79.785 51.265 51.459 14 H GLY 4 H GLY 4 -78.882 55.315 49.530 15 HA2 GLY 4 1HA GLY 4 -77.916 57.451 49.128 16 HA3 GLY 4 2HA GLY 4 -78.293 57.938 50.797 17 H SER 5 H SER 5 -75.836 56.589 48.712 18 HA SER 5 HA SER 5 -73.995 56.381 50.960 19 HB2 SER 5 1HB SER 5 -73.307 54.050 50.118 20 HB3 SER 5 2HB SER 5 -74.807 54.155 51.045 21 HG SER 5 HG SER 5 -74.594 53.995 48.214 22 H SER 6 H SER 6 -71.716 56.102 50.110 23 HA SER 6 HA SER 6 -71.201 56.507 47.314 24 HB2 SER 6 1HB SER 6 -71.865 58.805 48.141 25 HB3 SER 6 2HB SER 6 -70.520 58.734 49.294 26 HG SER 6 HG SER 6 -70.235 59.754 47.098 27 H GLY 7 H GLY 7 -68.619 56.854 47.224 28 HA2 GLY 7 1HA GLY 7 -66.951 56.112 49.353 29 HA3 GLY 7 2HA GLY 7 -67.417 54.627 48.491 30 H LYS 8 H LYS 8 -64.820 54.932 48.219 31 HA LYS 8 HA LYS 8 -64.422 55.689 45.472 32 HB2 LYS 8 1HB LYS 8 -62.635 57.288 45.820 33 HB3 LYS 8 2HB LYS 8 -64.102 57.901 46.577 34 HG2 LYS 8 1HG LYS 8 -63.235 57.103 48.807 35 HG3 LYS 8 2HG LYS 8 -61.739 56.587 48.005 36 HD2 LYS 8 1HD LYS 8 -61.411 58.950 47.210 37 HD3 LYS 8 2HD LYS 8 -62.803 59.441 48.183 38 HE2 LYS 8 1HE LYS 8 -60.228 58.139 49.199 39 HE3 LYS 8 2HE LYS 8 -60.629 59.856 49.323 40 HZ1 LYS 8 3HZ LYS 8 -62.491 59.255 50.744 41 HZ2 LYS 8 1HZ LYS 8 -61.079 58.697 51.376 42 HZ3 LYS 8 2HZ LYS 8 -62.108 57.656 50.630 43 H TRP 9 H TRP 9 -62.246 54.962 44.770 44 HA TRP 9 HA TRP 9 -60.795 53.140 46.562 45 HB2 TRP 9 1HB TRP 9 -62.133 52.437 43.914 46 HB3 TRP 9 2HB TRP 9 -60.775 51.524 44.547 47 HD1 TRP 9 HD TRP 9 -64.439 51.541 44.702 48 HE1 TRP 9 1HE TRP 9 -65.283 49.964 46.536 49 HE3 TRP 9 3HE TRP 9 -60.032 50.747 47.179 50 HZ2 TRP 9 2HZ TRP 9 -64.193 48.559 48.827 51 HZ3 TRP 9 3HZ TRP 9 -59.964 49.277 49.183 52 HH2 TRP 9 HH TRP 9 -62.036 48.186 50.009 53 H GLY 10 H GLY 10 -58.771 52.325 44.990 54 HA2 GLY 10 1HA GLY 10 -57.865 54.248 43.091 55 HA3 GLY 10 2HA GLY 10 -57.071 54.432 44.679 56 H LEU 11 H LEU 11 -55.611 53.666 42.444 57 HA LEU 11 HA LEU 11 -55.284 50.737 42.458 58 HB2 LEU 11 1HB LEU 11 -54.070 53.041 40.869 59 HB3 LEU 11 2HB LEU 11 -53.333 51.449 40.867 60 HG LEU 11 HG LEU 11 -55.469 50.438 40.074 61 HD11 LEU 11 1HD1 LEU 11 -57.111 51.942 38.931 62 HD12 LEU 11 2HD1 LEU 11 -56.330 53.341 39.696 63 HD13 LEU 11 3HD1 LEU 11 -57.144 52.096 40.681 64 HD21 LEU 11 3HD2 LEU 11 -54.245 52.600 38.302 65 HD22 LEU 11 1HD2 LEU 11 -55.152 51.179 37.743 66 HD23 LEU 11 2HD2 LEU 11 -53.598 50.964 38.552 67 H ARG 12 H ARG 12 -52.862 50.019 42.560 68 HA ARG 12 HA ARG 12 -51.280 51.477 44.545 69 HB2 ARG 12 1HB ARG 12 -52.929 49.679 45.627 70 HB3 ARG 12 2HB ARG 12 -51.814 48.510 44.925 71 HG2 ARG 12 1HG ARG 12 -50.040 50.189 46.233 72 HG3 ARG 12 2HG ARG 12 -51.483 50.401 47.225 73 HD2 ARG 12 1HD ARG 12 -51.616 47.875 47.413 74 HD3 ARG 12 2HD ARG 12 -50.086 47.793 46.508 75 HE ARG 12 HE ARG 12 -50.064 49.483 48.892 76 HH11 ARG 12 1HH1 ARG 12 -49.376 46.261 47.614 77 HH12 ARG 12 2HH1 ARG 12 -48.434 45.731 48.954 78 HH21 ARG 12 1HH2 ARG 12 -48.747 48.840 50.692 79 HH22 ARG 12 2HH2 ARG 12 -48.045 47.271 50.746 80 H LEU 13 H LEU 13 -49.032 50.302 44.644 81 HA LEU 13 HA LEU 13 -48.292 49.399 41.928 82 HB2 LEU 13 1HB LEU 13 -46.594 50.367 44.285 83 HB3 LEU 13 2HB LEU 13 -45.988 49.851 42.732 84 HG LEU 13 HG LEU 13 -45.858 52.183 42.766 85 HD11 LEU 13 1HD1 LEU 13 -48.325 51.560 41.087 86 HD12 LEU 13 2HD1 LEU 13 -46.643 51.221 40.618 87 HD13 LEU 13 3HD1 LEU 13 -47.173 52.891 40.855 88 HD21 LEU 13 3HD2 LEU 13 -48.820 52.508 43.358 89 HD22 LEU 13 1HD2 LEU 13 -47.574 53.756 43.246 90 HD23 LEU 13 2HD2 LEU 13 -47.534 52.604 44.588 91 H GLN 14 H GLN 14 -47.221 47.417 41.675 92 HA GLN 14 HA GLN 14 -46.186 45.728 43.579 93 HB2 GLN 14 1HB GLN 14 -47.778 44.010 43.831 94 HB3 GLN 14 2HB GLN 14 -48.628 45.467 44.293 95 HG2 GLN 14 1HG GLN 14 -48.913 43.958 41.649 96 HG3 GLN 14 2HG GLN 14 -50.022 43.890 43.005 97 HE21 GLN 14 1HE2 GLN 14 -50.074 46.777 43.598 98 HE22 GLN 14 2HE2 GLN 14 -50.869 47.518 42.200 99 H GLU 15 H GLU 15 -45.755 43.470 42.322 100 HA GLU 15 HA GLU 15 -46.199 43.572 39.501 101 HB2 GLU 15 1HB GLU 15 -44.250 45.100 39.657 102 HB3 GLU 15 2HB GLU 15 -43.323 43.847 40.505 103 HG2 GLU 15 1HG GLU 15 -43.206 42.480 38.586 104 HG3 GLU 15 2HG GLU 15 -44.609 43.238 37.830 105 H LYS 16 H LYS 16 -44.968 41.639 38.615 106 HA LYS 16 HA LYS 16 -45.924 39.240 39.840 107 HB2 LYS 16 1HB LYS 16 -45.253 38.296 37.698 108 HB3 LYS 16 2HB LYS 16 -45.785 39.920 37.374 109 HG2 LYS 16 1HG LYS 16 -43.075 40.354 37.843 110 HG3 LYS 16 2HG LYS 16 -43.037 38.722 37.173 111 HD2 LYS 16 1HD LYS 16 -44.203 39.501 35.183 112 HD3 LYS 16 2HD LYS 16 -44.422 41.117 35.935 113 HE2 LYS 16 1HE LYS 16 -41.743 40.854 36.225 114 HE3 LYS 16 2HE LYS 16 -41.934 39.896 34.748 115 HZ1 LYS 16 3HZ LYS 16 -42.672 42.726 35.236 116 HZ2 LYS 16 1HZ LYS 16 -43.086 41.971 33.845 117 HZ3 LYS 16 2HZ LYS 16 -41.502 42.233 34.271 118 HA PRO 17 HA PRO 17 -42.124 37.993 41.827 119 HB2 PRO 17 1HB PRO 17 -42.089 35.283 41.688 120 HB3 PRO 17 2HB PRO 17 -43.425 36.145 42.515 121 HG2 PRO 17 1HG PRO 17 -43.372 35.063 39.675 122 HG3 PRO 17 2HG PRO 17 -44.638 34.823 40.921 123 HD2 PRO 17 1HD PRO 17 -44.746 36.781 38.960 124 HD3 PRO 17 2HD PRO 17 -45.503 36.983 40.580 125 H ALA 18 H ALA 18 -39.999 36.814 41.505 126 HA ALA 18 HA ALA 18 -38.961 37.338 38.814 127 HB1 ALA 18 1HB ALA 18 -36.772 36.862 39.875 128 HB2 ALA 18 2HB ALA 18 -37.691 38.030 40.840 129 HB3 ALA 18 3HB ALA 18 -37.591 36.327 41.356 130 H LEU 19 H LEU 19 -37.291 35.539 38.023 131 HA LEU 19 HA LEU 19 -38.173 32.812 38.517 132 HB2 LEU 19 1HB LEU 19 -38.762 32.253 36.347 133 HB3 LEU 19 2HB LEU 19 -39.652 33.728 36.660 134 HG LEU 19 HG LEU 19 -37.095 33.490 34.984 135 HD11 LEU 19 1HD1 LEU 19 -38.588 33.879 33.074 136 HD12 LEU 19 2HD1 LEU 19 -39.998 33.913 34.162 137 HD13 LEU 19 3HD1 LEU 19 -39.052 32.420 33.956 138 HD21 LEU 19 3HD2 LEU 19 -37.172 35.740 35.896 139 HD22 LEU 19 1HD2 LEU 19 -38.902 35.894 35.493 140 HD23 LEU 19 2HD2 LEU 19 -37.673 35.805 34.210 141 H LEU 20 H LEU 20 -36.722 31.324 37.019 142 HA LEU 20 HA LEU 20 -33.962 32.374 36.940 143 HB2 LEU 20 1HB LEU 20 -33.203 30.180 37.717 144 HB3 LEU 20 2HB LEU 20 -34.178 31.029 38.893 145 HG LEU 20 HG LEU 20 -36.135 29.546 38.281 146 HD11 LEU 20 1HD1 LEU 20 -35.563 28.666 36.085 147 HD12 LEU 20 2HD1 LEU 20 -35.572 27.330 37.222 148 HD13 LEU 20 3HD1 LEU 20 -34.021 28.015 36.697 149 HD21 LEU 20 3HD2 LEU 20 -33.611 28.163 39.278 150 HD22 LEU 20 1HD2 LEU 20 -35.283 27.636 39.571 151 HD23 LEU 20 2HD2 LEU 20 -34.711 29.161 40.256 152 H PHE 21 H PHE 21 -32.606 30.558 35.642 153 HA PHE 21 HA PHE 21 -34.048 29.932 33.139 154 HB2 PHE 21 1HB PHE 21 -31.832 30.538 32.040 155 HB3 PHE 21 2HB PHE 21 -32.773 31.871 32.683 156 HD1 PHE 21 2HD PHE 21 -29.758 29.740 33.289 157 HD2 PHE 21 1HD PHE 21 -31.925 33.294 34.438 158 HE1 PHE 21 2HE PHE 21 -27.826 30.487 34.637 159 HE2 PHE 21 1HE PHE 21 -29.983 34.034 35.789 160 HZ PHE 21 HZ PHE 21 -27.928 32.635 35.895 161 HA PRO 22 HA PRO 22 -32.290 25.932 33.855 162 HB2 PRO 22 1HB PRO 22 -32.142 24.816 31.372 163 HB3 PRO 22 2HB PRO 22 -33.713 25.258 32.113 164 HG2 PRO 22 1HG PRO 22 -32.059 26.882 30.144 165 HG3 PRO 22 2HG PRO 22 -33.803 26.475 30.045 166 HD2 PRO 22 1HD PRO 22 -32.908 28.849 31.059 167 HD3 PRO 22 2HD PRO 22 -34.357 28.035 31.722 168 H GLY 23 H GLY 23 -30.415 24.509 33.356 169 HA2 GLY 23 1HA GLY 23 -27.944 26.082 32.901 170 HA3 GLY 23 2HA GLY 23 -28.081 24.505 33.706 171 H MET 24 H MET 24 -26.132 24.392 31.990 172 HA MET 24 HA MET 24 -27.159 22.919 29.659 173 HB2 MET 24 1HB MET 24 -26.568 25.324 29.035 174 HB3 MET 24 2HB MET 24 -24.898 24.966 29.501 175 HG2 MET 24 1HG MET 24 -24.816 23.190 27.765 176 HG3 MET 24 2HG MET 24 -26.510 23.513 27.361 177 HE1 MET 24 3HE MET 24 -25.978 23.762 24.816 178 HE2 MET 24 1HE MET 24 -24.651 24.757 24.176 179 HE3 MET 24 2HE MET 24 -24.288 23.331 25.177 180 H ALA 25 H ALA 25 -25.350 21.475 28.786 181 HA ALA 25 HA ALA 25 -23.090 20.889 30.503 182 HB1 ALA 25 1HB ALA 25 -25.402 18.911 30.138 183 HB2 ALA 25 2HB ALA 25 -23.792 18.506 30.768 184 HB3 ALA 25 3HB ALA 25 -24.844 19.613 31.676 185 H ALA 26 H ALA 26 -22.055 21.570 28.579 186 HA ALA 26 HA ALA 26 -22.785 20.384 26.000 187 HB1 ALA 26 1HB ALA 26 -20.987 21.813 25.153 188 HB2 ALA 26 2HB ALA 26 -22.083 22.731 26.228 189 HB3 ALA 26 3HB ALA 26 -20.481 22.203 26.815 190 H SER 27 H SER 27 -21.364 19.034 24.778 191 HA SER 27 HA SER 27 -20.018 17.067 26.425 192 HB2 SER 27 1HB SER 27 -21.563 16.714 24.364 193 HB3 SER 27 2HB SER 27 -20.114 17.074 23.399 194 HG SER 27 HG SER 27 -19.672 15.054 23.737 195 H THR 28 H THR 28 -17.973 16.116 25.036 196 HA THR 28 HA THR 28 -15.959 18.279 24.985 197 HB THR 28 HB THR 28 -14.402 16.461 25.780 198 HG1 THR 28 1HG THR 28 -15.318 14.598 26.579 199 HG21 THR 28 3HG2 THR 28 -16.819 16.907 27.589 200 HG22 THR 28 1HG2 THR 28 -15.430 18.004 27.411 201 HG23 THR 28 2HG2 THR 28 -15.210 16.365 28.079 202 H VAL 29 H VAL 29 -13.808 17.077 23.906 203 HA VAL 29 HA VAL 29 -14.401 16.962 21.090 204 HB VAL 29 HB VAL 29 -11.976 16.542 20.867 205 HG11 VAL 29 1HG1 VAL 29 -12.545 18.797 22.828 206 HG12 VAL 29 2HG1 VAL 29 -11.197 18.675 21.686 207 HG13 VAL 29 3HG1 VAL 29 -12.852 18.851 21.081 208 HG21 VAL 29 3HG2 VAL 29 -11.570 15.167 22.892 209 HG22 VAL 29 1HG2 VAL 29 -10.477 16.550 22.799 210 HG23 VAL 29 2HG2 VAL 29 -11.851 16.585 23.919 211 H GLN 30 H GLN 30 -13.185 15.003 19.834 212 HA GLN 30 HA GLN 30 -13.971 12.443 21.085 213 HB2 GLN 30 1HB GLN 30 -15.044 11.778 18.990 214 HB3 GLN 30 2HB GLN 30 -15.827 13.205 19.663 215 HG2 GLN 30 1HG GLN 30 -14.510 14.623 18.018 216 HG3 GLN 30 2HG GLN 30 -13.856 13.134 17.325 217 HE21 GLN 30 1HE2 GLN 30 -16.955 14.791 18.062 218 HE22 GLN 30 2HE2 GLN 30 -17.847 14.113 16.707 219 H VAL 31 H VAL 31 -13.014 10.537 19.892 220 HA VAL 31 HA VAL 31 -10.221 10.980 19.466 221 HB VAL 31 HB VAL 31 -11.806 8.579 18.540 222 HG11 VAL 31 1HG1 VAL 31 -9.734 7.378 19.108 223 HG12 VAL 31 2HG1 VAL 31 -9.476 8.663 17.908 224 HG13 VAL 31 3HG1 VAL 31 -9.020 8.957 19.600 225 HG21 VAL 31 3HG2 VAL 31 -11.256 7.559 20.857 226 HG22 VAL 31 1HG2 VAL 31 -10.939 9.212 21.409 227 HG23 VAL 31 2HG2 VAL 31 -12.552 8.745 20.841 228 H ALA 32 H ALA 32 -9.255 11.467 17.623 229 HA ALA 32 HA ALA 32 -10.851 11.810 15.199 230 HB1 ALA 32 1HB ALA 32 -8.835 13.120 14.433 231 HB2 ALA 32 2HB ALA 32 -9.368 13.628 16.053 232 HB3 ALA 32 3HB ALA 32 -7.954 12.574 15.866 233 H GLY 33 H GLY 33 -9.426 11.481 13.125 234 HA2 GLY 33 1HA GLY 33 -9.011 8.614 12.850 235 HA3 GLY 33 2HA GLY 33 -8.921 9.851 11.584 236 H ARG 34 H ARG 34 -7.076 8.498 10.896 237 HA ARG 34 HA ARG 34 -4.554 9.543 12.028 238 HB2 ARG 34 1HB ARG 34 -3.611 7.206 11.857 239 HB3 ARG 34 2HB ARG 34 -4.730 7.483 13.191 240 HG2 ARG 34 1HG ARG 34 -6.497 6.275 11.908 241 HG3 ARG 34 2HG ARG 34 -5.382 6.091 10.549 242 HD2 ARG 34 1HD ARG 34 -5.443 4.054 11.810 243 HD3 ARG 34 2HD ARG 34 -3.842 4.779 12.017 244 HE ARG 34 HE ARG 34 -5.334 5.743 14.138 245 HH11 ARG 34 1HH1 ARG 34 -4.609 2.423 13.111 246 HH12 ARG 34 2HH1 ARG 34 -4.296 1.876 14.734 247 HH21 ARG 34 1HH2 ARG 34 -5.242 4.999 16.151 248 HH22 ARG 34 2HH2 ARG 34 -4.745 3.396 16.592 249 H LYS 35 H LYS 35 -2.670 8.779 10.543 250 HA LYS 35 HA LYS 35 -3.320 8.296 7.768 251 HB2 LYS 35 1HB LYS 35 -3.524 10.912 8.253 252 HB3 LYS 35 2HB LYS 35 -1.757 10.845 8.299 253 HG2 LYS 35 1HG LYS 35 -1.824 9.778 5.982 254 HG3 LYS 35 2HG LYS 35 -3.578 9.908 6.033 255 HD2 LYS 35 1HD LYS 35 -2.887 11.740 4.730 256 HD3 LYS 35 2HD LYS 35 -3.313 12.409 6.293 257 HE2 LYS 35 1HE LYS 35 -1.277 13.473 5.672 258 HE3 LYS 35 2HE LYS 35 -0.809 12.296 6.901 259 HZ1 LYS 35 3HZ LYS 35 0.660 12.318 4.984 260 HZ2 LYS 35 1HZ LYS 35 -0.583 11.823 3.984 261 HZ3 LYS 35 2HZ LYS 35 -0.004 10.852 5.159 262 H ASP 36 H ASP 36 -1.204 8.009 6.593 263 HA ASP 36 HA ASP 36 0.680 6.732 6.449 264 HB2 ASP 36 1HB ASP 36 1.451 9.197 7.992 265 HB3 ASP 36 2HB ASP 36 2.617 7.926 7.617 266 H TYR 37 H TYR 37 -0.645 5.142 7.801 267 HA TYR 37 HA TYR 37 0.229 4.774 10.524 268 HB2 TYR 37 1HB TYR 37 -0.831 2.324 9.529 269 HB3 TYR 37 2HB TYR 37 -1.402 3.394 10.761 270 HD1 TYR 37 2HD TYR 37 -2.334 5.799 9.456 271 HD2 TYR 37 1HD TYR 37 -2.505 1.705 8.088 272 HE1 TYR 37 2HE TYR 37 -4.426 6.293 8.182 273 HE2 TYR 37 1HE TYR 37 -4.549 2.205 6.801 274 HH TYR 37 HH TYR 37 -6.167 5.357 6.904 275 HA PRO 38 HA PRO 38 3.030 1.322 8.962 276 HB2 PRO 38 1HB PRO 38 3.460 0.835 6.342 277 HB3 PRO 38 2HB PRO 38 2.102 0.101 7.238 278 HG2 PRO 38 1HG PRO 38 2.025 2.596 5.491 279 HG3 PRO 38 2HG PRO 38 0.924 1.180 5.439 280 HD2 PRO 38 1HD PRO 38 0.239 3.399 6.834 281 HD3 PRO 38 2HD PRO 38 -0.092 1.776 7.484 282 H ALA 39 H ALA 39 5.136 1.750 9.046 283 HA ALA 39 HA ALA 39 6.558 3.637 7.423 284 HB1 ALA 39 1HB ALA 39 6.069 4.277 10.373 285 HB2 ALA 39 2HB ALA 39 7.348 4.959 9.362 286 HB3 ALA 39 3HB ALA 39 5.649 5.289 8.968 287 H LEU 40 H LEU 40 8.474 2.808 7.281 288 HA LEU 40 HA LEU 40 10.157 1.272 7.335 289 HB2 LEU 40 1HB LEU 40 10.105 1.962 10.274 290 HB3 LEU 40 2HB LEU 40 11.458 1.231 9.392 291 HG LEU 40 HG LEU 40 10.302 4.021 8.955 292 HD11 LEU 40 1HD1 LEU 40 11.679 3.697 11.040 293 HD12 LEU 40 2HD1 LEU 40 12.322 4.882 9.894 294 HD13 LEU 40 3HD1 LEU 40 13.052 3.277 9.979 295 HD21 LEU 40 3HD2 LEU 40 11.125 3.182 6.826 296 HD22 LEU 40 1HD2 LEU 40 12.621 2.569 7.583 297 HD23 LEU 40 2HD2 LEU 40 12.305 4.316 7.462 298 H LEU 41 H LEU 41 8.352 -0.221 6.851 299 HA LEU 41 HA LEU 41 7.240 -2.143 8.508 300 HB2 LEU 41 1HB LEU 41 8.204 -2.271 5.654 301 HB3 LEU 41 2HB LEU 41 7.646 -3.751 6.392 302 HG LEU 41 HG LEU 41 5.956 -1.254 6.229 303 HD11 LEU 41 1HD1 LEU 41 6.590 -2.151 3.991 304 HD12 LEU 41 2HD1 LEU 41 4.860 -2.273 4.341 305 HD13 LEU 41 3HD1 LEU 41 5.884 -3.700 4.455 306 HD21 LEU 41 3HD2 LEU 41 5.147 -4.135 6.793 307 HD22 LEU 41 1HD2 LEU 41 4.067 -2.737 6.700 308 HD23 LEU 41 2HD2 LEU 41 5.232 -2.862 8.020 309 HA PRO 42 HA PRO 42 10.510 -4.641 10.042 310 HB2 PRO 42 1HB PRO 42 9.342 -7.079 10.437 311 HB3 PRO 42 2HB PRO 42 8.945 -5.637 11.410 312 HG2 PRO 42 1HG PRO 42 7.445 -6.738 9.023 313 HG3 PRO 42 2HG PRO 42 6.773 -6.216 10.600 314 HD2 PRO 42 1HD PRO 42 6.803 -4.642 8.374 315 HD3 PRO 42 2HD PRO 42 6.992 -3.921 9.989 316 H LEU 43 H LEU 43 12.030 -6.264 9.422 317 HA LEU 43 HA LEU 43 11.788 -7.383 6.654 318 HB2 LEU 43 1HB LEU 43 13.960 -5.711 8.019 319 HB3 LEU 43 2HB LEU 43 14.289 -6.689 6.570 320 HG LEU 43 HG LEU 43 12.497 -4.325 6.940 321 HD11 LEU 43 1HD1 LEU 43 14.292 -3.416 5.341 322 HD12 LEU 43 2HD1 LEU 43 15.173 -4.911 5.573 323 HD13 LEU 43 3HD1 LEU 43 14.867 -3.861 6.945 324 HD21 LEU 43 3HD2 LEU 43 11.234 -5.339 5.357 325 HD22 LEU 43 1HD2 LEU 43 12.576 -6.165 4.568 326 HD23 LEU 43 2HD2 LEU 43 12.312 -4.408 4.353 327 H ASN 44 H ASN 44 13.322 -9.050 6.155 328 HA ASN 44 HA ASN 44 14.388 -10.564 8.498 329 HB2 ASN 44 1HB ASN 44 12.503 -11.703 7.278 330 HB3 ASN 44 2HB ASN 44 13.453 -11.635 5.808 331 HD21 ASN 44 1HD2 ASN 44 13.065 -14.040 6.056 332 HD22 ASN 44 2HD2 ASN 44 14.228 -14.976 6.976 333 H GLU 45 H GLU 45 16.522 -9.935 8.515 334 HA GLU 45 HA GLU 45 18.025 -9.142 6.210 335 HB2 GLU 45 1HB GLU 45 19.937 -9.203 7.741 336 HB3 GLU 45 2HB GLU 45 18.548 -8.437 8.511 337 HG2 GLU 45 1HG GLU 45 18.062 -10.572 9.721 338 HG3 GLU 45 2HG GLU 45 19.490 -11.301 8.986 339 H SER 46 H SER 46 17.301 -12.354 7.455 340 HA SER 46 HA SER 46 19.464 -13.637 5.964 341 HB2 SER 46 1HB SER 46 17.143 -14.748 7.594 342 HB3 SER 46 2HB SER 46 18.547 -15.659 6.997 343 HG SER 46 HG SER 46 19.895 -14.350 8.195 344 H GLU 47 H GLU 47 16.849 -12.176 4.741 345 HA GLU 47 HA GLU 47 16.169 -14.366 2.803 346 HB2 GLU 47 1HB GLU 47 14.518 -13.611 4.529 347 HB3 GLU 47 2HB GLU 47 14.486 -12.022 3.779 348 HG2 GLU 47 1HG GLU 47 13.413 -12.943 1.815 349 HG3 GLU 47 2HG GLU 47 13.678 -14.605 2.404 350 H LEU 48 H LEU 48 18.239 -11.930 2.928 351 HA LEU 48 HA LEU 48 17.265 -10.503 0.501 352 HB2 LEU 48 1HB LEU 48 19.570 -9.728 2.288 353 HB3 LEU 48 2HB LEU 48 18.746 -8.746 1.072 354 HG LEU 48 HG LEU 48 17.672 -9.650 3.751 355 HD11 LEU 48 1HD1 LEU 48 18.057 -6.903 2.548 356 HD12 LEU 48 2HD1 LEU 48 19.156 -7.690 3.706 357 HD13 LEU 48 3HD1 LEU 48 17.510 -7.281 4.203 358 HD21 LEU 48 3HD2 LEU 48 15.554 -8.791 3.369 359 HD22 LEU 48 1HD2 LEU 48 15.807 -9.860 2.063 360 HD23 LEU 48 2HD2 LEU 48 16.008 -8.133 1.749 361 H GLU 49 H GLU 49 18.882 -9.870 -1.117 362 HA GLU 49 HA GLU 49 20.807 -12.096 -1.678 363 HB2 GLU 49 1HB GLU 49 18.577 -10.782 -3.241 364 HB3 GLU 49 2HB GLU 49 19.975 -11.341 -4.125 365 HG2 GLU 49 1HG GLU 49 18.594 -13.248 -2.242 366 HG3 GLU 49 2HG GLU 49 17.976 -12.948 -3.866 367 H GLU 50 H GLU 50 22.635 -10.931 -0.961 368 HA GLU 50 HA GLU 50 23.074 -8.246 -2.103 369 HB2 GLU 50 1HB GLU 50 24.835 -7.962 -0.610 370 HB3 GLU 50 2HB GLU 50 23.416 -8.452 0.286 371 HG2 GLU 50 1HG GLU 50 25.404 -10.617 -0.469 372 HG3 GLU 50 2HG GLU 50 25.895 -9.430 0.733 373 H GLN 51 H GLN 51 25.244 -7.688 -2.754 374 HA GLN 51 HA GLN 51 26.883 -9.662 -4.165 375 HB2 GLN 51 1HB GLN 51 25.516 -7.241 -5.401 376 HB3 GLN 51 2HB GLN 51 26.876 -8.047 -6.167 377 HG2 GLN 51 1HG GLN 51 25.620 -9.801 -6.934 378 HG3 GLN 51 2HG GLN 51 24.539 -9.815 -5.544 379 HE21 GLN 51 1HE2 GLN 51 24.604 -8.938 -8.859 380 HE22 GLN 51 2HE2 GLN 51 23.267 -7.792 -8.764 381 H PHE 52 H PHE 52 28.938 -8.287 -4.917 382 HA PHE 52 HA PHE 52 29.462 -6.047 -3.026 383 HB2 PHE 52 1HB PHE 52 31.350 -8.342 -3.679 384 HB3 PHE 52 2HB PHE 52 31.671 -6.986 -2.603 385 HD1 PHE 52 1HD PHE 52 29.872 -10.208 -2.995 386 HD2 PHE 52 2HD PHE 52 30.623 -6.885 -0.332 387 HE1 PHE 52 1HE PHE 52 28.862 -11.470 -1.124 388 HE2 PHE 52 2HE PHE 52 29.648 -8.197 1.542 389 HZ PHE 52 HZ PHE 52 28.752 -10.475 1.145 390 H VAL 53 H VAL 53 30.611 -4.315 -4.021 391 HA VAL 53 HA VAL 53 30.780 -4.528 -6.941 392 HB VAL 53 HB VAL 53 31.394 -2.182 -5.111 393 HG11 VAL 53 1HG1 VAL 53 30.648 -2.293 -8.071 394 HG12 VAL 53 2HG1 VAL 53 30.841 -0.812 -7.116 395 HG13 VAL 53 3HG1 VAL 53 32.233 -1.848 -7.401 396 HG21 VAL 53 3HG2 VAL 53 28.738 -2.962 -6.397 397 HG22 VAL 53 1HG2 VAL 53 29.083 -2.845 -4.658 398 HG23 VAL 53 2HG2 VAL 53 29.077 -1.387 -5.638 399 H LYS 54 H LYS 54 32.669 -4.612 -8.105 400 HA LYS 54 HA LYS 54 35.259 -4.479 -6.623 401 HB2 LYS 54 1HB LYS 54 34.380 -6.432 -8.749 402 HB3 LYS 54 2HB LYS 54 36.075 -6.176 -8.362 403 HG2 LYS 54 1HG LYS 54 34.093 -6.918 -6.168 404 HG3 LYS 54 2HG LYS 54 34.774 -8.125 -7.241 405 HD2 LYS 54 1HD LYS 54 36.082 -8.135 -5.256 406 HD3 LYS 54 2HD LYS 54 37.060 -7.529 -6.575 407 HE2 LYS 54 1HE LYS 54 37.546 -6.303 -4.542 408 HE3 LYS 54 2HE LYS 54 36.843 -5.220 -5.735 409 HZ1 LYS 54 3HZ LYS 54 34.720 -5.401 -4.540 410 HZ2 LYS 54 1HZ LYS 54 35.875 -4.845 -3.569 411 HZ3 LYS 54 2HZ LYS 54 35.402 -6.417 -3.429 412 H GLY 55 H GLY 55 33.404 -3.024 -9.091 413 HA2 GLY 55 1HA GLY 55 35.182 -1.017 -9.665 414 HA3 GLY 55 2HA GLY 55 35.385 -2.267 -10.926 415 H HIS 56 H HIS 56 34.343 -0.168 -12.106 416 HA HIS 56 HA HIS 56 31.558 -0.793 -12.571 417 HB2 HIS 56 1HB HIS 56 31.505 0.949 -10.747 418 HB3 HIS 56 2HB HIS 56 32.432 2.030 -11.794 419 HD1 HIS 56 1HD HIS 56 30.748 3.774 -12.822 420 HD2 HIS 56 2HD HIS 56 29.165 -0.112 -12.356 421 HE1 HIS 56 1HE HIS 56 28.405 3.825 -13.799 422 H GLY 57 H GLY 57 30.905 0.451 -14.655 423 HA2 GLY 57 1HA GLY 57 31.413 1.157 -16.825 424 HA3 GLY 57 2HA GLY 57 33.023 1.624 -16.238 425 HA PRO 58 HA PRO 58 33.318 -2.255 -18.855 426 HB2 PRO 58 1HB PRO 58 35.178 -1.389 -20.682 427 HB3 PRO 58 2HB PRO 58 33.424 -1.065 -20.824 428 HG2 PRO 58 1HG PRO 58 35.561 0.761 -19.675 429 HG3 PRO 58 2HG PRO 58 34.294 1.161 -20.886 430 HD2 PRO 58 1HD PRO 58 33.996 1.725 -18.251 431 HD3 PRO 58 2HD PRO 58 32.607 1.193 -19.251 432 H GLY 59 H GLY 59 35.262 -0.697 -16.588 433 HA2 GLY 59 1HA GLY 59 37.069 -1.363 -15.369 434 HA3 GLY 59 2HA GLY 59 36.858 -2.965 -16.075 435 H GLY 60 H GLY 60 37.376 -0.790 -18.578 436 HA2 GLY 60 1HA GLY 60 39.690 -1.815 -19.612 437 HA3 GLY 60 2HA GLY 60 39.134 -0.157 -19.897 438 H GLN 61 H GLN 61 41.631 -2.009 -18.699 439 HA GLN 61 HA GLN 61 43.540 -1.677 -17.591 440 HB2 GLN 61 1HB GLN 61 43.499 0.100 -19.483 441 HB3 GLN 61 2HB GLN 61 43.317 1.281 -18.186 442 HG2 GLN 61 1HG GLN 61 45.483 0.522 -17.217 443 HG3 GLN 61 2HG GLN 61 45.600 -0.735 -18.453 444 HE21 GLN 61 1HE2 GLN 61 46.785 -0.148 -20.340 445 HE22 GLN 61 2HE2 GLN 61 47.076 1.541 -20.738 446 H ALA 62 H ALA 62 40.877 -1.086 -16.007 447 HA ALA 62 HA ALA 62 41.285 0.757 -14.000 448 HB1 ALA 62 1HB ALA 62 39.189 -0.442 -14.298 449 HB2 ALA 62 2HB ALA 62 39.947 -1.968 -13.786 450 HB3 ALA 62 3HB ALA 62 39.758 -0.633 -12.629 451 H THR 63 H THR 63 43.125 1.065 -12.857 452 HA THR 63 HA THR 63 44.963 -0.976 -12.125 453 HB THR 63 HB THR 63 45.924 1.049 -10.836 454 HG1 THR 63 1HG THR 63 44.734 2.779 -10.768 455 HG21 THR 63 3HG2 THR 63 46.671 2.182 -12.882 456 HG22 THR 63 1HG2 THR 63 45.383 1.413 -13.823 457 HG23 THR 63 2HG2 THR 63 46.686 0.427 -13.125 458 H ASN 64 H ASN 64 43.210 1.286 -10.092 459 HA ASN 64 HA ASN 64 43.516 -0.028 -7.620 460 HB2 ASN 64 1HB ASN 64 41.640 2.202 -8.489 461 HB3 ASN 64 2HB ASN 64 41.915 1.712 -6.822 462 HD21 ASN 64 1HD2 ASN 64 43.125 3.419 -5.879 463 HD22 ASN 64 2HD2 ASN 64 44.556 4.065 -6.658 464 H LYS 65 H LYS 65 42.695 -2.213 -7.907 465 HA LYS 65 HA LYS 65 39.813 -2.597 -8.373 466 HB2 LYS 65 1HB LYS 65 42.181 -4.410 -7.904 467 HB3 LYS 65 2HB LYS 65 40.617 -5.008 -7.388 468 HG2 LYS 65 1HG LYS 65 40.806 -5.815 -9.568 469 HG3 LYS 65 2HG LYS 65 39.673 -4.475 -9.659 470 HD2 LYS 65 1HD LYS 65 41.041 -4.188 -11.545 471 HD3 LYS 65 2HD LYS 65 41.693 -3.027 -10.390 472 HE2 LYS 65 1HE LYS 65 43.355 -4.937 -9.725 473 HE3 LYS 65 2HE LYS 65 42.781 -5.764 -11.186 474 HZ1 LYS 65 3HZ LYS 65 44.154 -3.174 -10.985 475 HZ2 LYS 65 1HZ LYS 65 43.403 -3.607 -12.345 476 HZ3 LYS 65 2HZ LYS 65 44.688 -4.517 -11.798 477 H THR 66 H THR 66 41.318 -1.282 -5.787 478 HA THR 66 HA THR 66 40.282 -2.534 -3.513 479 HB THR 66 HB THR 66 41.087 0.379 -3.704 480 HG1 THR 66 1HG THR 66 43.294 -0.544 -3.569 481 HG21 THR 66 3HG2 THR 66 41.829 -1.863 -1.756 482 HG22 THR 66 1HG2 THR 66 40.588 -0.624 -1.474 483 HG23 THR 66 2HG2 THR 66 42.287 -0.147 -1.615 484 H SER 67 H SER 67 38.046 -2.444 -5.043 485 HA SER 67 HA SER 67 36.378 -0.112 -4.365 486 HB2 SER 67 1HB SER 67 36.078 -1.004 -6.556 487 HB3 SER 67 2HB SER 67 36.011 -2.665 -5.952 488 HG SER 67 HG SER 67 34.009 -2.375 -5.230 489 H ASN 68 H ASN 68 35.578 -0.035 -2.358 490 HA ASN 68 HA ASN 68 34.932 -2.539 -0.865 491 HB2 ASN 68 1HB ASN 68 35.515 0.304 0.066 492 HB3 ASN 68 2HB ASN 68 34.785 -0.893 1.105 493 HD21 ASN 68 1HD2 ASN 68 36.427 -1.335 2.652 494 HD22 ASN 68 2HD2 ASN 68 37.999 -1.857 2.114 495 H CYS 69 H CYS 69 33.289 -0.434 -2.881 496 HA CYS 69 HA CYS 69 31.053 0.367 -1.359 497 HB2 CYS 69 1HB CYS 69 31.736 1.311 -3.552 498 HB3 CYS 69 2HB CYS 69 31.227 -0.186 -4.353 499 HG CYS 69 HG CYS 69 29.587 2.014 -4.536 500 H VAL 70 H VAL 70 29.016 -0.459 -1.128 501 HA VAL 70 HA VAL 70 28.628 -3.371 -1.557 502 HB VAL 70 HB VAL 70 27.912 -1.571 0.813 503 HG11 VAL 70 1HG1 VAL 70 27.130 -4.466 0.410 504 HG12 VAL 70 2HG1 VAL 70 26.968 -3.534 1.913 505 HG13 VAL 70 3HG1 VAL 70 26.027 -3.076 0.507 506 HG21 VAL 70 3HG2 VAL 70 29.277 -3.302 2.065 507 HG22 VAL 70 1HG2 VAL 70 29.736 -3.995 0.502 508 HG23 VAL 70 2HG2 VAL 70 30.222 -2.339 0.916 509 H VAL 71 H VAL 71 26.505 -4.027 -2.037 510 HA VAL 71 HA VAL 71 24.542 -1.968 -2.753 511 HB VAL 71 HB VAL 71 23.998 -3.274 -4.795 512 HG11 VAL 71 1HG1 VAL 71 25.744 -2.283 -6.199 513 HG12 VAL 71 2HG1 VAL 71 25.248 -1.170 -4.912 514 HG13 VAL 71 3HG1 VAL 71 26.776 -2.040 -4.770 515 HG21 VAL 71 3HG2 VAL 71 25.177 -5.388 -4.208 516 HG22 VAL 71 1HG2 VAL 71 25.594 -4.785 -5.816 517 HG23 VAL 71 2HG2 VAL 71 26.740 -4.581 -4.469 518 H LEU 72 H LEU 72 22.391 -2.894 -2.786 519 HA LEU 72 HA LEU 72 22.080 -5.517 -1.471 520 HB2 LEU 72 1HB LEU 72 22.246 -3.539 0.241 521 HB3 LEU 72 2HB LEU 72 20.690 -3.027 -0.407 522 HG LEU 72 HG LEU 72 19.833 -5.390 0.229 523 HD11 LEU 72 1HD1 LEU 72 22.363 -5.315 1.967 524 HD12 LEU 72 2HD1 LEU 72 22.167 -6.416 0.605 525 HD13 LEU 72 3HD1 LEU 72 21.091 -6.548 2.015 526 HD21 LEU 72 3HD2 LEU 72 19.462 -4.751 2.512 527 HD22 LEU 72 1HD2 LEU 72 19.486 -3.251 1.566 528 HD23 LEU 72 2HD2 LEU 72 20.904 -3.714 2.501 529 H LYS 73 H LYS 73 19.983 -6.431 -1.956 530 HA LYS 73 HA LYS 73 18.206 -4.935 -3.774 531 HB2 LYS 73 1HB LYS 73 19.756 -6.010 -5.255 532 HB3 LYS 73 2HB LYS 73 19.653 -7.535 -4.405 533 HG2 LYS 73 1HG LYS 73 17.114 -6.454 -5.629 534 HG3 LYS 73 2HG LYS 73 18.372 -7.052 -6.694 535 HD2 LYS 73 1HD LYS 73 18.356 -9.235 -5.290 536 HD3 LYS 73 2HD LYS 73 16.863 -8.619 -4.586 537 HE2 LYS 73 1HE LYS 73 16.067 -9.918 -6.355 538 HE3 LYS 73 2HE LYS 73 16.051 -8.304 -7.051 539 HZ1 LYS 73 3HZ LYS 73 18.297 -8.925 -8.029 540 HZ2 LYS 73 1HZ LYS 73 17.006 -9.853 -8.566 541 HZ3 LYS 73 2HZ LYS 73 18.083 -10.431 -7.472 542 H HIS 74 H HIS 74 16.145 -5.336 -3.353 543 HA HIS 74 HA HIS 74 15.414 -7.444 -1.392 544 HB2 HIS 74 1HB HIS 74 14.692 -4.788 -1.457 545 HB3 HIS 74 2HB HIS 74 13.428 -5.432 -2.459 546 HD1 HIS 74 1HD HIS 74 11.340 -6.182 -1.015 547 HD2 HIS 74 2HD HIS 74 15.085 -6.295 0.972 548 HE1 HIS 74 1HE HIS 74 10.874 -6.895 1.364 549 H VAL 75 H VAL 75 14.674 -9.355 -2.345 550 HA VAL 75 HA VAL 75 14.213 -9.533 -5.155 551 HB VAL 75 HB VAL 75 13.615 -11.433 -2.879 552 HG11 VAL 75 1HG1 VAL 75 13.255 -11.862 -5.863 553 HG12 VAL 75 2HG1 VAL 75 13.379 -13.184 -4.663 554 HG13 VAL 75 3HG1 VAL 75 12.048 -12.034 -4.574 555 HG21 VAL 75 3HG2 VAL 75 15.551 -12.658 -3.717 556 HG22 VAL 75 1HG2 VAL 75 15.813 -11.435 -4.979 557 HG23 VAL 75 2HG2 VAL 75 16.006 -11.020 -3.262 558 HA PRO 76 HA PRO 76 9.551 -9.936 -4.278 559 HB2 PRO 76 1HB PRO 76 8.445 -8.930 -1.958 560 HB3 PRO 76 2HB PRO 76 8.970 -10.614 -2.182 561 HG2 PRO 76 1HG PRO 76 10.600 -8.326 -1.082 562 HG3 PRO 76 2HG PRO 76 10.280 -9.923 -0.284 563 HD2 PRO 76 1HD PRO 76 12.525 -9.593 -1.612 564 HD3 PRO 76 2HD PRO 76 11.560 -11.053 -1.998 565 H SER 77 H SER 77 11.367 -7.084 -3.578 566 HA SER 77 HA SER 77 9.112 -5.366 -4.536 567 HB2 SER 77 1HB SER 77 11.586 -4.403 -3.080 568 HB3 SER 77 2HB SER 77 10.055 -3.563 -3.321 569 HG SER 77 HG SER 77 9.067 -5.207 -2.027 570 H GLY 78 H GLY 78 12.261 -6.625 -5.278 571 HA2 GLY 78 1HA GLY 78 13.586 -6.403 -7.134 572 HA3 GLY 78 2HA GLY 78 12.254 -5.566 -7.942 573 H ILE 79 H ILE 79 13.450 -4.324 -4.902 574 HA ILE 79 HA ILE 79 14.390 -1.836 -6.211 575 HB ILE 79 HB ILE 79 13.797 -2.546 -3.293 576 HG12 ILE 79 1HG1 ILE 79 12.357 -0.788 -5.333 577 HG13 ILE 79 2HG1 ILE 79 11.805 -2.348 -4.751 578 HG21 ILE 79 1HG2 ILE 79 14.145 -0.107 -2.848 579 HG22 ILE 79 2HG2 ILE 79 15.621 -0.859 -3.405 580 HG23 ILE 79 3HG2 ILE 79 14.655 0.104 -4.535 581 HD11 ILE 79 3HD1 ILE 79 11.964 0.202 -3.126 582 HD12 ILE 79 1HD1 ILE 79 10.548 -0.688 -3.663 583 HD13 ILE 79 2HD1 ILE 79 11.613 -1.411 -2.440 584 H VAL 80 H VAL 80 16.520 -1.283 -6.244 585 HA VAL 80 HA VAL 80 18.476 -2.916 -4.730 586 HB VAL 80 HB VAL 80 18.736 -1.812 -7.564 587 HG11 VAL 80 1HG1 VAL 80 20.901 -1.911 -6.333 588 HG12 VAL 80 2HG1 VAL 80 20.585 -3.605 -5.935 589 HG13 VAL 80 3HG1 VAL 80 20.838 -3.121 -7.624 590 HG21 VAL 80 3HG2 VAL 80 18.765 -4.161 -8.318 591 HG22 VAL 80 1HG2 VAL 80 18.470 -4.698 -6.652 592 HG23 VAL 80 2HG2 VAL 80 17.228 -3.807 -7.535 593 H VAL 81 H VAL 81 20.039 -1.661 -3.655 594 HA VAL 81 HA VAL 81 20.176 1.224 -4.312 595 HB VAL 81 HB VAL 81 18.503 1.030 -2.537 596 HG11 VAL 81 1HG1 VAL 81 19.031 0.457 -0.265 597 HG12 VAL 81 2HG1 VAL 81 19.344 -0.955 -1.298 598 HG13 VAL 81 3HG1 VAL 81 20.708 0.016 -0.692 599 HG21 VAL 81 3HG2 VAL 81 19.979 3.046 -2.698 600 HG22 VAL 81 1HG2 VAL 81 19.332 2.748 -1.082 601 HG23 VAL 81 2HG2 VAL 81 21.021 2.350 -1.441 602 H LYS 82 H LYS 82 22.109 2.248 -3.682 603 HA LYS 82 HA LYS 82 24.437 0.418 -3.338 604 HB2 LYS 82 1HB LYS 82 24.309 3.216 -4.543 605 HB3 LYS 82 2HB LYS 82 25.706 2.123 -4.508 606 HG2 LYS 82 1HG LYS 82 24.257 0.554 -5.960 607 HG3 LYS 82 2HG LYS 82 23.146 1.910 -6.147 608 HD2 LYS 82 1HD LYS 82 26.075 1.822 -6.998 609 HD3 LYS 82 2HD LYS 82 24.650 1.694 -8.020 610 HE2 LYS 82 1HE LYS 82 25.156 3.831 -8.441 611 HE3 LYS 82 2HE LYS 82 24.032 4.073 -7.103 612 HZ1 LYS 82 3HZ LYS 82 26.084 5.400 -6.966 613 HZ2 LYS 82 1HZ LYS 82 27.005 4.073 -6.890 614 HZ3 LYS 82 2HZ LYS 82 25.960 4.432 -5.657 615 H CYS 83 H CYS 83 25.450 0.675 -1.380 616 HA CYS 83 HA CYS 83 25.230 3.321 -0.031 617 HB2 CYS 83 1HB CYS 83 23.510 1.470 0.753 618 HB3 CYS 83 2HB CYS 83 24.926 0.770 1.559 619 HG CYS 83 HG CYS 83 23.622 3.826 1.776 620 H HIS 84 H HIS 84 27.172 3.996 0.833 621 HA HIS 84 HA HIS 84 29.217 2.067 1.609 622 HB2 HIS 84 1HB HIS 84 30.910 3.096 0.061 623 HB3 HIS 84 2HB HIS 84 29.699 2.098 -0.718 624 HD1 HIS 84 1HD HIS 84 31.003 5.664 -0.691 625 HD2 HIS 84 2HD HIS 84 27.844 3.374 -2.293 626 HE1 HIS 84 1HE HIS 84 29.925 7.107 -2.485 627 H GLN 85 H GLN 85 29.289 2.932 3.690 628 HA GLN 85 HA GLN 85 29.944 5.852 3.898 629 HB2 GLN 85 1HB GLN 85 27.731 5.088 4.942 630 HB3 GLN 85 2HB GLN 85 28.674 4.130 6.062 631 HG2 GLN 85 1HG GLN 85 29.852 6.727 6.111 632 HG3 GLN 85 2HG GLN 85 28.114 7.001 5.980 633 HE21 GLN 85 1HE2 GLN 85 30.697 6.211 8.189 634 HE22 GLN 85 2HE2 GLN 85 29.599 5.847 9.515 635 H THR 86 H THR 86 30.282 2.912 5.878 636 HA THR 86 HA THR 86 32.861 3.692 6.942 637 HB THR 86 HB THR 86 32.669 1.517 8.105 638 HG1 THR 86 1HG THR 86 30.594 1.097 6.262 639 HG21 THR 86 3HG2 THR 86 30.044 3.061 8.165 640 HG22 THR 86 1HG2 THR 86 31.517 3.449 9.083 641 HG23 THR 86 2HG2 THR 86 30.654 1.933 9.378 642 H ARG 87 H ARG 87 34.620 1.697 6.877 643 HA ARG 87 HA ARG 87 35.106 1.189 3.948 644 HB2 ARG 87 1HB ARG 87 36.916 1.439 6.370 645 HB3 ARG 87 2HB ARG 87 37.440 0.622 4.900 646 HG2 ARG 87 1HG ARG 87 38.189 2.962 4.975 647 HG3 ARG 87 2HG ARG 87 37.188 2.616 3.564 648 HD2 ARG 87 1HD ARG 87 35.298 3.778 4.519 649 HD3 ARG 87 2HD ARG 87 36.127 3.955 6.082 650 HE ARG 87 HE ARG 87 37.837 5.295 4.650 651 HH11 ARG 87 1HH1 ARG 87 34.279 5.576 4.844 652 HH12 ARG 87 2HH1 ARG 87 34.313 7.278 4.617 653 HH21 ARG 87 1HH2 ARG 87 37.706 7.502 3.718 654 HH22 ARG 87 2HH2 ARG 87 36.273 8.368 4.147 655 H SER 88 H SER 88 34.257 -0.282 6.951 656 HA SER 88 HA SER 88 34.999 -3.008 6.392 657 HB2 SER 88 1HB SER 88 33.158 -1.562 8.333 658 HB3 SER 88 2HB SER 88 33.430 -3.294 8.408 659 HG SER 88 HG SER 88 35.356 -1.198 8.670 660 H VAL 89 H VAL 89 33.823 -4.537 5.307 661 HA VAL 89 HA VAL 89 31.572 -3.836 3.793 662 HB VAL 89 HB VAL 89 33.249 -5.455 3.150 663 HG11 VAL 89 1HG1 VAL 89 31.997 -7.492 5.031 664 HG12 VAL 89 2HG1 VAL 89 33.346 -7.725 3.920 665 HG13 VAL 89 3HG1 VAL 89 33.546 -6.683 5.336 666 HG21 VAL 89 3HG2 VAL 89 31.060 -5.435 2.046 667 HG22 VAL 89 1HG2 VAL 89 31.774 -7.060 2.075 668 HG23 VAL 89 2HG2 VAL 89 30.459 -6.648 3.196 669 H ASP 90 H ASP 90 31.580 -6.062 6.713 670 HA ASP 90 HA ASP 90 28.860 -6.503 6.758 671 HB2 ASP 90 1HB ASP 90 30.705 -6.263 9.157 672 HB3 ASP 90 2HB ASP 90 29.150 -7.115 9.077 673 H GLN 91 H GLN 91 30.622 -3.740 8.176 674 HA GLN 91 HA GLN 91 28.346 -2.657 9.520 675 HB2 GLN 91 1HB GLN 91 31.059 -1.582 8.683 676 HB3 GLN 91 2HB GLN 91 29.831 -0.577 9.386 677 HG2 GLN 91 1HG GLN 91 30.819 -1.178 11.352 678 HG3 GLN 91 2HG GLN 91 29.712 -2.530 11.233 679 HE21 GLN 91 1HE2 GLN 91 32.683 -2.041 12.330 680 HE22 GLN 91 2HE2 GLN 91 33.515 -3.424 11.623 681 H ASN 92 H ASN 92 29.784 -2.119 6.250 682 HA ASN 92 HA ASN 92 27.877 -0.069 5.525 683 HB2 ASN 92 1HB ASN 92 29.600 -1.949 3.879 684 HB3 ASN 92 2HB ASN 92 28.474 -0.797 3.145 685 HD21 ASN 92 1HD2 ASN 92 31.680 -1.014 3.462 686 HD22 ASN 92 2HD2 ASN 92 32.011 0.653 3.912 687 H ARG 93 H ARG 93 27.861 -3.638 5.325 688 HA ARG 93 HA ARG 93 25.483 -3.928 3.795 689 HB2 ARG 93 1HB ARG 93 26.838 -5.762 5.816 690 HB3 ARG 93 2HB ARG 93 25.354 -6.180 4.983 691 HG2 ARG 93 1HG ARG 93 26.636 -5.676 2.796 692 HG3 ARG 93 2HG ARG 93 28.097 -5.777 3.756 693 HD2 ARG 93 1HD ARG 93 25.972 -7.951 3.539 694 HD3 ARG 93 2HD ARG 93 27.458 -7.900 2.589 695 HE ARG 93 HE ARG 93 28.303 -7.799 5.238 696 HH11 ARG 93 1HH1 ARG 93 26.164 -10.080 3.443 697 HH12 ARG 93 2HH1 ARG 93 26.579 -11.366 4.463 698 HH21 ARG 93 1HH2 ARG 93 28.888 -9.684 6.521 699 HH22 ARG 93 2HH2 ARG 93 27.933 -11.099 6.280 700 H LYS 94 H LYS 94 25.799 -3.913 7.509 701 HA LYS 94 HA LYS 94 22.992 -4.080 7.751 702 HB2 LYS 94 1HB LYS 94 23.292 -3.348 10.035 703 HB3 LYS 94 2HB LYS 94 24.460 -4.595 9.598 704 HG2 LYS 94 1HG LYS 94 26.228 -2.976 9.324 705 HG3 LYS 94 2HG LYS 94 25.138 -1.611 9.584 706 HD2 LYS 94 1HD LYS 94 25.979 -3.686 11.607 707 HD3 LYS 94 2HD LYS 94 26.486 -2.003 11.560 708 HE2 LYS 94 1HE LYS 94 23.672 -3.074 11.975 709 HE3 LYS 94 2HE LYS 94 24.733 -2.432 13.239 710 HZ1 LYS 94 3HZ LYS 94 24.711 -0.323 11.848 711 HZ2 LYS 94 1HZ LYS 94 23.427 -0.649 12.776 712 HZ3 LYS 94 2HZ LYS 94 23.348 -0.898 11.143 713 H ILE 95 H ILE 95 25.023 -1.238 7.112 714 HA ILE 95 HA ILE 95 22.977 0.718 7.784 715 HB ILE 95 HB ILE 95 25.438 0.852 5.976 716 HG12 ILE 95 1HG1 ILE 95 24.949 2.197 8.691 717 HG13 ILE 95 2HG1 ILE 95 25.733 0.641 8.560 718 HG21 ILE 95 1HG2 ILE 95 23.801 2.508 5.207 719 HG22 ILE 95 2HG2 ILE 95 23.488 3.016 6.861 720 HG23 ILE 95 3HG2 ILE 95 25.045 3.371 6.099 721 HD11 ILE 95 3HD1 ILE 95 27.534 1.673 7.138 722 HD12 ILE 95 1HD1 ILE 95 26.797 3.269 7.415 723 HD13 ILE 95 2HD1 ILE 95 27.434 2.344 8.776 724 H ALA 96 H ALA 96 24.057 -0.967 4.781 725 HA ALA 96 HA ALA 96 22.259 0.202 2.995 726 HB1 ALA 96 1HB ALA 96 24.221 -1.215 2.399 727 HB2 ALA 96 2HB ALA 96 23.333 -2.651 2.938 728 HB3 ALA 96 3HB ALA 96 22.706 -1.703 1.585 729 H ARG 97 H ARG 97 21.832 -2.759 5.034 730 HA ARG 97 HA ARG 97 19.150 -3.305 4.157 731 HB2 ARG 97 1HB ARG 97 20.437 -5.015 5.164 732 HB3 ARG 97 2HB ARG 97 20.723 -4.092 6.627 733 HG2 ARG 97 1HG ARG 97 17.832 -4.629 6.025 734 HG3 ARG 97 2HG ARG 97 18.820 -6.069 6.341 735 HD2 ARG 97 1HD ARG 97 19.568 -5.219 8.451 736 HD3 ARG 97 2HD ARG 97 18.897 -3.625 8.081 737 HE ARG 97 HE ARG 97 17.058 -5.950 8.390 738 HH11 ARG 97 1HH1 ARG 97 18.367 -2.982 9.771 739 HH12 ARG 97 2HH1 ARG 97 16.960 -2.605 10.720 740 HH21 ARG 97 1HH2 ARG 97 15.334 -5.649 9.995 741 HH22 ARG 97 2HH2 ARG 97 15.152 -4.104 10.743 742 H LYS 98 H LYS 98 20.359 -1.203 6.779 743 HA LYS 98 HA LYS 98 17.803 -0.559 7.819 744 HB2 LYS 98 1HB LYS 98 20.057 0.004 8.840 745 HB3 LYS 98 2HB LYS 98 20.222 1.327 7.701 746 HG2 LYS 98 1HG LYS 98 17.840 1.077 9.558 747 HG3 LYS 98 2HG LYS 98 19.352 1.805 10.075 748 HD2 LYS 98 1HD LYS 98 19.201 3.616 8.544 749 HD3 LYS 98 2HD LYS 98 17.919 2.873 7.616 750 HE2 LYS 98 1HE LYS 98 16.918 4.583 8.970 751 HE3 LYS 98 2HE LYS 98 16.364 3.009 9.527 752 HZ1 LYS 98 3HZ LYS 98 18.474 4.626 10.831 753 HZ2 LYS 98 1HZ LYS 98 17.932 3.144 11.350 754 HZ3 LYS 98 2HZ LYS 98 16.937 4.432 11.357 755 H VAL 99 H VAL 99 19.714 1.194 5.257 756 HA VAL 99 HA VAL 99 17.589 3.051 4.806 757 HB VAL 99 HB VAL 99 19.944 3.519 4.356 758 HG11 VAL 99 1HG1 VAL 99 19.721 1.682 1.957 759 HG12 VAL 99 2HG1 VAL 99 21.016 2.869 2.246 760 HG13 VAL 99 3HG1 VAL 99 20.776 1.551 3.384 761 HG21 VAL 99 3HG2 VAL 99 18.298 3.826 1.816 762 HG22 VAL 99 1HG2 VAL 99 18.058 4.807 3.277 763 HG23 VAL 99 2HG2 VAL 99 19.613 4.864 2.418 764 H LEU 100 H LEU 100 18.219 -0.128 3.418 765 HA LEU 100 HA LEU 100 16.414 0.230 1.185 766 HB2 LEU 100 1HB LEU 100 18.167 -1.458 1.181 767 HB3 LEU 100 2HB LEU 100 17.362 -2.326 2.487 768 HG LEU 100 HG LEU 100 15.455 -2.831 0.978 769 HD11 LEU 100 1HD1 LEU 100 17.004 -1.447 -1.220 770 HD12 LEU 100 2HD1 LEU 100 15.449 -0.926 -0.519 771 HD13 LEU 100 3HD1 LEU 100 15.546 -2.455 -1.392 772 HD21 LEU 100 3HD2 LEU 100 18.125 -3.511 -0.322 773 HD22 LEU 100 1HD2 LEU 100 16.611 -4.395 -0.523 774 HD23 LEU 100 2HD2 LEU 100 17.392 -4.385 1.045 775 H GLN 101 H GLN 101 15.963 -0.707 4.558 776 HA GLN 101 HA GLN 101 13.353 -1.716 4.482 777 HB2 GLN 101 1HB GLN 101 15.110 -1.555 6.394 778 HB3 GLN 101 2HB GLN 101 14.505 0.053 6.681 779 HG2 GLN 101 1HG GLN 101 12.333 -0.772 7.349 780 HG3 GLN 101 2HG GLN 101 12.688 -2.332 6.743 781 HE21 GLN 101 1HE2 GLN 101 11.912 -2.846 8.969 782 HE22 GLN 101 2HE2 GLN 101 13.126 -2.925 10.256 783 H GLU 102 H GLU 102 14.501 1.612 4.269 784 HA GLU 102 HA GLU 102 11.976 2.894 4.775 785 HB2 GLU 102 1HB GLU 102 14.295 4.005 3.145 786 HB3 GLU 102 2HB GLU 102 13.078 4.892 4.064 787 HG2 GLU 102 1HG GLU 102 14.065 3.872 6.170 788 HG3 GLU 102 2HG GLU 102 15.354 3.210 5.181 789 H LYS 103 H LYS 103 13.830 2.068 1.849 790 HA LYS 103 HA LYS 103 11.995 3.048 -0.074 791 HB2 LYS 103 1HB LYS 103 13.665 0.557 -0.558 792 HB3 LYS 103 2HB LYS 103 13.171 1.780 -1.713 793 HG2 LYS 103 1HG LYS 103 15.273 2.091 0.461 794 HG3 LYS 103 2HG LYS 103 15.580 1.839 -1.254 795 HD2 LYS 103 1HD LYS 103 14.520 3.999 -1.791 796 HD3 LYS 103 2HD LYS 103 14.152 4.246 -0.068 797 HE2 LYS 103 1HE LYS 103 16.612 4.010 0.431 798 HE3 LYS 103 2HE LYS 103 16.928 4.012 -1.311 799 HZ1 LYS 103 3HZ LYS 103 17.107 6.234 -0.215 800 HZ2 LYS 103 1HZ LYS 103 15.555 6.172 0.191 801 HZ3 LYS 103 2HZ LYS 103 15.983 6.238 -1.420 802 H VAL 104 H VAL 104 12.325 -0.178 1.398 803 HA VAL 104 HA VAL 104 10.229 -1.394 -0.122 804 HB VAL 104 HB VAL 104 11.673 -2.132 2.444 805 HG11 VAL 104 1HG1 VAL 104 10.752 -4.408 2.200 806 HG12 VAL 104 2HG1 VAL 104 9.462 -3.253 2.515 807 HG13 VAL 104 3HG1 VAL 104 9.717 -3.855 0.861 808 HG21 VAL 104 3HG2 VAL 104 11.788 -3.180 -0.426 809 HG22 VAL 104 1HG2 VAL 104 13.014 -2.163 0.350 810 HG23 VAL 104 2HG2 VAL 104 12.733 -3.802 0.931 811 H ASP 105 H ASP 105 10.189 0.410 3.041 812 HA ASP 105 HA ASP 105 7.548 -0.279 3.741 813 HB2 ASP 105 1HB ASP 105 9.066 0.942 5.239 814 HB3 ASP 105 2HB ASP 105 8.936 2.363 4.174 815 H VAL 106 H VAL 106 8.587 2.705 2.048 816 HA VAL 106 HA VAL 106 5.981 3.510 1.360 817 HB VAL 106 HB VAL 106 7.820 5.035 1.346 818 HG11 VAL 106 1HG1 VAL 106 9.642 3.714 0.402 819 HG12 VAL 106 2HG1 VAL 106 8.825 3.673 -1.177 820 HG13 VAL 106 3HG1 VAL 106 9.421 5.203 -0.514 821 HG21 VAL 106 3HG2 VAL 106 5.786 5.557 0.065 822 HG22 VAL 106 1HG2 VAL 106 7.226 6.318 -0.636 823 HG23 VAL 106 2HG2 VAL 106 6.519 4.879 -1.395 824 H PHE 107 H PHE 107 8.193 1.303 -0.305 825 HA PHE 107 HA PHE 107 6.664 1.090 -2.679 826 HB2 PHE 107 1HB PHE 107 8.979 0.336 -2.405 827 HB3 PHE 107 2HB PHE 107 8.404 -1.072 -1.507 828 HD1 PHE 107 2HD PHE 107 8.055 0.724 -4.801 829 HD2 PHE 107 1HD PHE 107 7.686 -2.996 -2.672 830 HE1 PHE 107 2HE PHE 107 7.622 -0.465 -6.939 831 HE2 PHE 107 1HE PHE 107 7.210 -4.174 -4.819 832 HZ PHE 107 HZ PHE 107 7.197 -2.915 -6.940 833 H TYR 108 H TYR 108 6.228 -0.613 0.415 834 HA TYR 108 HA TYR 108 4.248 -2.477 -0.676 835 HB2 TYR 108 1HB TYR 108 5.342 -1.813 2.030 836 HB3 TYR 108 2HB TYR 108 3.749 -2.543 1.946 837 HD1 TYR 108 1HD TYR 108 7.164 -3.120 0.415 838 HD2 TYR 108 2HD TYR 108 3.573 -4.860 2.027 839 HE1 TYR 108 1HE TYR 108 8.134 -5.374 0.131 840 HE2 TYR 108 2HE TYR 108 4.500 -7.105 1.699 841 HH TYR 108 HH TYR 108 6.600 -8.339 1.256 842 H ASN 109 H ASN 109 4.194 0.651 1.071 843 HA ASN 109 HA ASN 109 1.276 0.657 0.997 844 HB2 ASN 109 1HB ASN 109 1.308 2.742 2.042 845 HB3 ASN 109 2HB ASN 109 2.287 1.552 2.894 846 HD21 ASN 109 1HD2 ASN 109 4.268 2.257 3.624 847 HD22 ASN 109 2HD2 ASN 109 5.047 3.698 3.148 848 H SER 110 H SER 110 3.357 1.178 -1.286 849 HA SER 110 HA SER 110 1.634 3.092 -2.822 850 HB2 SER 110 1HB SER 110 3.440 3.614 -4.262 851 HB3 SER 110 2HB SER 110 3.954 3.835 -2.583 852 HG SER 110 HG SER 110 4.595 1.596 -4.268 853 H GLY 111 H GLY 111 2.479 -0.331 -2.780 854 HA2 GLY 111 1HA GLY 111 0.562 -0.889 -4.777 855 HA3 GLY 111 2HA GLY 111 2.181 -0.908 -5.503 856 HA PRO 112 HA PRO 112 1.136 -4.973 -3.332 857 HB2 PRO 112 1HB PRO 112 1.003 -6.655 -5.490 858 HB3 PRO 112 2HB PRO 112 -0.383 -5.670 -4.933 859 HG2 PRO 112 1HG PRO 112 1.591 -5.026 -7.149 860 HG3 PRO 112 2HG PRO 112 -0.199 -4.978 -7.219 861 HD2 PRO 112 1HD PRO 112 1.293 -2.748 -6.749 862 HD3 PRO 112 2HD PRO 112 -0.284 -2.985 -5.946 863 H SER 113 H SER 113 2.518 -7.068 -3.527 864 HA SER 113 HA SER 113 5.339 -6.256 -3.956 865 HB2 SER 113 1HB SER 113 4.149 -8.577 -2.383 866 HB3 SER 113 2HB SER 113 5.868 -8.114 -2.468 867 HG SER 113 HG SER 113 5.032 -7.104 -0.687 868 H SER 114 H SER 114 5.667 -6.524 -6.148 869 HA SER 114 HA SER 114 5.557 -9.274 -7.159 870 HB2 SER 114 1HB SER 114 4.845 -7.952 -9.378 871 HB3 SER 114 2HB SER 114 3.697 -8.734 -8.305 872 HG SER 114 HG SER 114 4.333 -6.036 -7.852 873 H GLY 115 H GLY 115 6.841 -9.416 -9.223 874 HA2 GLY 115 1HA GLY 115 8.494 -7.878 -10.480 875 HA3 GLY 115 2HA GLY 115 9.372 -7.965 -8.931 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -23.509 -36.219 109.637 2 HA2 GLY 1 1HA GLY 1 -23.981 -36.593 107.256 3 HA3 GLY 1 2HA GLY 1 -25.579 -37.215 107.743 4 H SER 2 H SER 2 -25.294 -34.979 105.925 5 HA SER 2 HA SER 2 -26.727 -32.916 107.368 6 HB2 SER 2 1HB SER 2 -24.222 -32.320 105.719 7 HB3 SER 2 2HB SER 2 -25.222 -31.151 106.598 8 HG SER 2 HG SER 2 -24.551 -32.196 108.545 9 H SER 3 H SER 3 -27.298 -31.226 105.414 10 HA SER 3 HA SER 3 -28.427 -32.904 103.272 11 HB2 SER 3 1HB SER 3 -29.846 -31.280 104.499 12 HB3 SER 3 2HB SER 3 -28.823 -29.948 103.933 13 HG SER 3 HG SER 3 -30.720 -30.321 102.636 14 H GLY 4 H GLY 4 -27.222 -29.529 102.802 15 HA2 GLY 4 1HA GLY 4 -24.715 -30.119 101.674 16 HA3 GLY 4 2HA GLY 4 -25.959 -30.053 100.398 17 H SER 5 H SER 5 -24.228 -28.076 100.097 18 HA SER 5 HA SER 5 -25.691 -25.660 100.825 19 HB2 SER 5 1HB SER 5 -23.467 -24.620 101.602 20 HB3 SER 5 2HB SER 5 -24.285 -25.708 102.732 21 HG SER 5 HG SER 5 -22.153 -26.502 101.020 22 H SER 6 H SER 6 -24.976 -23.840 99.415 23 HA SER 6 HA SER 6 -23.012 -24.172 97.363 24 HB2 SER 6 1HB SER 6 -25.987 -24.464 96.717 25 HB3 SER 6 2HB SER 6 -24.789 -23.953 95.514 26 HG SER 6 HG SER 6 -24.231 -26.269 96.985 27 H GLY 7 H GLY 7 -23.350 -22.127 95.814 28 HA2 GLY 7 1HA GLY 7 -24.659 -19.877 97.211 29 HA3 GLY 7 2HA GLY 7 -22.922 -19.795 96.838 30 H LYS 8 H LYS 8 -24.925 -18.041 95.725 31 HA LYS 8 HA LYS 8 -25.397 -19.013 92.978 32 HB2 LYS 8 1HB LYS 8 -26.256 -16.587 94.585 33 HB3 LYS 8 2HB LYS 8 -26.130 -16.408 92.849 34 HG2 LYS 8 1HG LYS 8 -27.573 -18.615 92.723 35 HG3 LYS 8 2HG LYS 8 -27.948 -18.234 94.403 36 HD2 LYS 8 1HD LYS 8 -29.686 -17.222 93.296 37 HD3 LYS 8 2HD LYS 8 -28.605 -15.851 93.469 38 HE2 LYS 8 1HE LYS 8 -28.802 -17.636 90.977 39 HE3 LYS 8 2HE LYS 8 -29.767 -16.183 91.215 40 HZ1 LYS 8 3HZ LYS 8 -27.689 -14.902 91.284 41 HZ2 LYS 8 1HZ LYS 8 -27.911 -15.669 89.856 42 HZ3 LYS 8 2HZ LYS 8 -26.815 -16.239 90.894 43 H TRP 9 H TRP 9 -24.737 -17.896 91.148 44 HA TRP 9 HA TRP 9 -22.340 -16.185 91.263 45 HB2 TRP 9 1HB TRP 9 -21.538 -17.558 89.299 46 HB3 TRP 9 2HB TRP 9 -21.532 -18.397 90.838 47 HD1 TRP 9 HD TRP 9 -22.995 -20.528 91.101 48 HE1 TRP 9 1HE TRP 9 -24.385 -21.965 89.511 49 HE3 TRP 9 3HE TRP 9 -23.076 -17.414 87.038 50 HZ2 TRP 9 2HZ TRP 9 -25.536 -21.732 86.856 51 HZ3 TRP 9 3HZ TRP 9 -24.360 -18.034 85.001 52 HH2 TRP 9 HH TRP 9 -25.585 -20.189 84.907 53 H GLY 10 H GLY 10 -22.110 -15.459 88.718 54 HA2 GLY 10 1HA GLY 10 -24.579 -15.043 87.300 55 HA3 GLY 10 2HA GLY 10 -23.955 -13.575 88.097 56 H LEU 11 H LEU 11 -24.068 -14.378 85.160 57 HA LEU 11 HA LEU 11 -21.207 -13.964 84.473 58 HB2 LEU 11 1HB LEU 11 -23.238 -15.795 83.135 59 HB3 LEU 11 2HB LEU 11 -21.734 -15.314 82.366 60 HG LEU 11 HG LEU 11 -21.876 -16.811 84.995 61 HD11 LEU 11 1HD1 LEU 11 -22.725 -18.168 83.100 62 HD12 LEU 11 2HD1 LEU 11 -21.182 -18.783 83.700 63 HD13 LEU 11 3HD1 LEU 11 -21.230 -17.839 82.195 64 HD21 LEU 11 3HD2 LEU 11 -19.777 -15.565 84.839 65 HD22 LEU 11 1HD2 LEU 11 -19.514 -16.157 83.175 66 HD23 LEU 11 2HD2 LEU 11 -19.459 -17.272 84.552 67 H ARG 12 H ARG 12 -21.374 -13.357 81.853 68 HA ARG 12 HA ARG 12 -23.493 -11.534 81.268 69 HB2 ARG 12 1HB ARG 12 -22.254 -9.553 81.176 70 HB3 ARG 12 2HB ARG 12 -22.016 -10.146 82.801 71 HG2 ARG 12 1HG ARG 12 -20.055 -10.137 80.458 72 HG3 ARG 12 2HG ARG 12 -19.987 -9.132 81.897 73 HD2 ARG 12 1HD ARG 12 -19.565 -12.130 81.752 74 HD3 ARG 12 2HD ARG 12 -18.323 -10.903 81.963 75 HE ARG 12 HE ARG 12 -20.528 -11.426 83.914 76 HH11 ARG 12 1HH1 ARG 12 -17.135 -10.558 83.385 77 HH12 ARG 12 2HH1 ARG 12 -16.693 -10.590 85.045 78 HH21 ARG 12 1HH2 ARG 12 -19.934 -11.625 86.146 79 HH22 ARG 12 2HH2 ARG 12 -18.350 -11.182 86.663 80 H LEU 13 H LEU 13 -23.001 -10.538 79.034 81 HA LEU 13 HA LEU 13 -20.972 -11.767 77.406 82 HB2 LEU 13 1HB LEU 13 -23.466 -13.097 77.594 83 HB3 LEU 13 2HB LEU 13 -23.704 -12.031 76.232 84 HG LEU 13 HG LEU 13 -23.013 -14.194 75.478 85 HD11 LEU 13 1HD1 LEU 13 -20.572 -12.411 75.118 86 HD12 LEU 13 2HD1 LEU 13 -22.095 -12.262 74.196 87 HD13 LEU 13 3HD1 LEU 13 -21.121 -13.728 74.074 88 HD21 LEU 13 3HD2 LEU 13 -20.920 -15.280 76.071 89 HD22 LEU 13 1HD2 LEU 13 -21.873 -14.963 77.528 90 HD23 LEU 13 2HD2 LEU 13 -20.475 -13.939 77.147 91 H GLN 14 H GLN 14 -21.071 -10.578 75.213 92 HA GLN 14 HA GLN 14 -22.752 -8.331 74.852 93 HB2 GLN 14 1HB GLN 14 -20.755 -6.686 74.836 94 HB3 GLN 14 2HB GLN 14 -21.550 -7.017 76.348 95 HG2 GLN 14 1HG GLN 14 -19.063 -8.576 75.549 96 HG3 GLN 14 2HG GLN 14 -18.925 -6.945 76.198 97 HE21 GLN 14 1HE2 GLN 14 -20.770 -6.795 78.240 98 HE22 GLN 14 2HE2 GLN 14 -20.375 -7.997 79.454 99 H GLU 15 H GLU 15 -21.986 -7.149 72.851 100 HA GLU 15 HA GLU 15 -20.582 -8.934 70.978 101 HB2 GLU 15 1HB GLU 15 -22.132 -8.147 69.283 102 HB3 GLU 15 2HB GLU 15 -22.986 -8.919 70.628 103 HG2 GLU 15 1HG GLU 15 -23.574 -6.813 71.597 104 HG3 GLU 15 2HG GLU 15 -22.472 -5.938 70.544 105 H LYS 16 H LYS 16 -20.378 -7.359 68.842 106 HA LYS 16 HA LYS 16 -18.993 -4.863 69.491 107 HB2 LYS 16 1HB LYS 16 -17.881 -7.104 67.737 108 HB3 LYS 16 2HB LYS 16 -17.210 -5.491 67.807 109 HG2 LYS 16 1HG LYS 16 -17.253 -7.425 70.177 110 HG3 LYS 16 2HG LYS 16 -15.942 -7.262 69.021 111 HD2 LYS 16 1HD LYS 16 -15.180 -5.987 70.772 112 HD3 LYS 16 2HD LYS 16 -15.841 -4.761 69.672 113 HE2 LYS 16 1HE LYS 16 -17.937 -4.719 71.036 114 HE3 LYS 16 2HE LYS 16 -17.298 -5.982 72.072 115 HZ1 LYS 16 3HZ LYS 16 -15.574 -4.447 72.768 116 HZ2 LYS 16 1HZ LYS 16 -17.072 -3.818 73.034 117 HZ3 LYS 16 2HZ LYS 16 -16.170 -3.268 71.775 118 HA PRO 17 HA PRO 17 -21.771 -4.051 66.121 119 HB2 PRO 17 1HB PRO 17 -21.003 -1.528 65.353 120 HB3 PRO 17 2HB PRO 17 -21.832 -1.860 66.907 121 HG2 PRO 17 1HG PRO 17 -18.846 -1.578 66.409 122 HG3 PRO 17 2HG PRO 17 -19.840 -0.757 67.661 123 HD2 PRO 17 1HD PRO 17 -18.420 -3.030 68.202 124 HD3 PRO 17 2HD PRO 17 -20.036 -2.749 68.933 125 H ALA 18 H ALA 18 -21.771 -3.594 63.804 126 HA ALA 18 HA ALA 18 -19.736 -5.059 62.405 127 HB1 ALA 18 1HB ALA 18 -22.146 -5.083 61.771 128 HB2 ALA 18 2HB ALA 18 -22.048 -3.353 61.355 129 HB3 ALA 18 3HB ALA 18 -21.132 -4.551 60.419 130 H LEU 19 H LEU 19 -18.857 -4.121 60.294 131 HA LEU 19 HA LEU 19 -17.594 -1.462 60.772 132 HB2 LEU 19 1HB LEU 19 -16.593 -4.040 59.494 133 HB3 LEU 19 2HB LEU 19 -15.911 -2.488 59.046 134 HG LEU 19 HG LEU 19 -15.318 -2.034 61.427 135 HD11 LEU 19 1HD1 LEU 19 -15.122 -4.023 62.962 136 HD12 LEU 19 2HD1 LEU 19 -16.152 -4.944 61.842 137 HD13 LEU 19 3HD1 LEU 19 -16.782 -3.511 62.690 138 HD21 LEU 19 3HD2 LEU 19 -14.150 -4.564 60.190 139 HD22 LEU 19 1HD2 LEU 19 -13.361 -3.530 61.400 140 HD23 LEU 19 2HD2 LEU 19 -13.692 -2.896 59.786 141 H LEU 20 H LEU 20 -16.923 -0.452 58.606 142 HA LEU 20 HA LEU 20 -19.327 -0.074 57.025 143 HB2 LEU 20 1HB LEU 20 -16.474 0.934 56.620 144 HB3 LEU 20 2HB LEU 20 -17.862 1.458 55.673 145 HG LEU 20 HG LEU 20 -17.526 1.900 58.672 146 HD11 LEU 20 1HD1 LEU 20 -17.316 3.846 56.334 147 HD12 LEU 20 2HD1 LEU 20 -15.961 3.232 57.307 148 HD13 LEU 20 3HD1 LEU 20 -17.190 4.258 58.058 149 HD21 LEU 20 3HD2 LEU 20 -19.911 1.764 58.119 150 HD22 LEU 20 1HD2 LEU 20 -19.689 2.873 56.744 151 HD23 LEU 20 2HD2 LEU 20 -19.472 3.447 58.413 152 H PHE 21 H PHE 21 -19.385 -0.266 54.672 153 HA PHE 21 HA PHE 21 -18.134 -2.765 53.723 154 HB2 PHE 21 1HB PHE 21 -20.033 -2.553 52.008 155 HB3 PHE 21 2HB PHE 21 -20.482 -2.896 53.666 156 HD1 PHE 21 2HD PHE 21 -20.351 -0.190 51.082 157 HD2 PHE 21 1HD PHE 21 -21.874 -1.393 54.937 158 HE1 PHE 21 2HE PHE 21 -21.854 1.772 51.104 159 HE2 PHE 21 1HE PHE 21 -23.377 0.579 54.954 160 HZ PHE 21 HZ PHE 21 -23.371 2.168 53.039 161 HA PRO 22 HA PRO 22 -15.753 -0.415 50.810 162 HB2 PRO 22 1HB PRO 22 -15.372 -2.137 48.727 163 HB3 PRO 22 2HB PRO 22 -14.707 -2.466 50.356 164 HG2 PRO 22 1HG PRO 22 -17.294 -3.517 49.157 165 HG3 PRO 22 2HG PRO 22 -15.991 -4.454 49.960 166 HD2 PRO 22 1HD PRO 22 -18.230 -3.635 51.290 167 HD3 PRO 22 2HD PRO 22 -16.634 -3.689 52.096 168 H GLY 23 H GLY 23 -15.759 0.461 48.525 169 HA2 GLY 23 1HA GLY 23 -18.537 0.956 47.562 170 HA3 GLY 23 2HA GLY 23 -17.164 2.068 47.424 171 H MET 24 H MET 24 -18.580 1.513 45.182 172 HA MET 24 HA MET 24 -17.420 -0.688 43.667 173 HB2 MET 24 1HB MET 24 -18.778 0.165 41.822 174 HB3 MET 24 2HB MET 24 -19.745 0.033 43.288 175 HG2 MET 24 1HG MET 24 -19.469 2.482 43.672 176 HG3 MET 24 2HG MET 24 -18.560 2.615 42.169 177 HE1 MET 24 3HE MET 24 -19.595 2.705 39.804 178 HE2 MET 24 1HE MET 24 -20.022 0.983 39.980 179 HE3 MET 24 2HE MET 24 -21.235 2.148 39.409 180 H ALA 25 H ALA 25 -16.354 -0.232 41.474 181 HA ALA 25 HA ALA 25 -14.804 2.242 41.277 182 HB1 ALA 25 1HB ALA 25 -12.708 0.947 40.993 183 HB2 ALA 25 2HB ALA 25 -13.341 0.802 42.642 184 HB3 ALA 25 3HB ALA 25 -13.544 -0.542 41.486 185 H ALA 26 H ALA 26 -16.072 2.643 39.469 186 HA ALA 26 HA ALA 26 -16.227 0.560 37.359 187 HB1 ALA 26 1HB ALA 26 -18.343 1.518 38.068 188 HB2 ALA 26 2HB ALA 26 -17.756 3.163 37.697 189 HB3 ALA 26 3HB ALA 26 -17.962 1.967 36.392 190 H SER 27 H SER 27 -16.159 1.742 35.026 191 HA SER 27 HA SER 27 -13.896 3.668 34.984 192 HB2 SER 27 1HB SER 27 -13.394 1.063 34.713 193 HB3 SER 27 2HB SER 27 -14.028 1.339 33.088 194 HG SER 27 HG SER 27 -11.725 2.226 34.397 195 H THR 28 H THR 28 -13.566 3.905 32.295 196 HA THR 28 HA THR 28 -16.156 4.495 31.054 197 HB THR 28 HB THR 28 -15.302 6.785 30.427 198 HG1 THR 28 1HG THR 28 -13.307 6.024 32.236 199 HG21 THR 28 3HG2 THR 28 -15.735 6.468 33.419 200 HG22 THR 28 1HG2 THR 28 -17.025 6.480 32.197 201 HG23 THR 28 2HG2 THR 28 -16.009 7.911 32.429 202 H VAL 29 H VAL 29 -15.819 4.998 28.723 203 HA VAL 29 HA VAL 29 -13.312 3.810 27.608 204 HB VAL 29 HB VAL 29 -14.629 2.850 25.836 205 HG11 VAL 29 1HG1 VAL 29 -15.980 2.076 28.448 206 HG12 VAL 29 2HG1 VAL 29 -15.740 1.076 27.002 207 HG13 VAL 29 3HG1 VAL 29 -14.347 1.577 27.980 208 HG21 VAL 29 3HG2 VAL 29 -17.138 3.944 27.185 209 HG22 VAL 29 1HG2 VAL 29 -16.467 4.485 25.634 210 HG23 VAL 29 2HG2 VAL 29 -17.092 2.839 25.798 211 H GLN 30 H GLN 30 -13.133 4.388 25.246 212 HA GLN 30 HA GLN 30 -13.860 7.086 24.488 213 HB2 GLN 30 1HB GLN 30 -11.535 7.785 24.250 214 HB3 GLN 30 2HB GLN 30 -11.892 7.434 25.931 215 HG2 GLN 30 1HG GLN 30 -10.352 5.674 24.007 216 HG3 GLN 30 2HG GLN 30 -9.681 6.642 25.321 217 HE21 GLN 30 1HE2 GLN 30 -10.650 6.040 27.588 218 HE22 GLN 30 2HE2 GLN 30 -10.731 4.303 27.914 219 H VAL 31 H VAL 31 -12.577 7.335 22.125 220 HA VAL 31 HA VAL 31 -13.375 4.940 20.649 221 HB VAL 31 HB VAL 31 -12.299 7.621 19.729 222 HG11 VAL 31 1HG1 VAL 31 -13.622 7.176 17.685 223 HG12 VAL 31 2HG1 VAL 31 -12.367 5.972 17.968 224 HG13 VAL 31 3HG1 VAL 31 -14.063 5.584 18.344 225 HG21 VAL 31 3HG2 VAL 31 -14.351 8.081 21.129 226 HG22 VAL 31 1HG2 VAL 31 -14.628 8.409 19.431 227 HG23 VAL 31 2HG2 VAL 31 -15.252 6.909 20.151 228 H ALA 32 H ALA 32 -11.863 3.718 19.431 229 HA ALA 32 HA ALA 32 -8.998 4.229 20.003 230 HB1 ALA 32 1HB ALA 32 -10.489 1.775 18.953 231 HB2 ALA 32 2HB ALA 32 -8.727 1.867 19.099 232 HB3 ALA 32 3HB ALA 32 -9.712 1.978 20.547 233 H GLY 33 H GLY 33 -7.439 3.689 18.054 234 HA2 GLY 33 1HA GLY 33 -8.445 3.935 15.392 235 HA3 GLY 33 2HA GLY 33 -7.866 5.498 15.992 236 H ARG 34 H ARG 34 -6.586 4.668 13.876 237 HA ARG 34 HA ARG 34 -3.913 3.795 14.843 238 HB2 ARG 34 1HB ARG 34 -5.428 2.694 12.427 239 HB3 ARG 34 2HB ARG 34 -3.669 2.612 12.571 240 HG2 ARG 34 1HG ARG 34 -3.866 1.346 14.673 241 HG3 ARG 34 2HG ARG 34 -5.629 1.366 14.547 242 HD2 ARG 34 1HD ARG 34 -3.784 0.167 12.431 243 HD3 ARG 34 2HD ARG 34 -4.451 -0.754 13.775 244 HE ARG 34 HE ARG 34 -6.251 0.682 11.878 245 HH11 ARG 34 1HH1 ARG 34 -5.347 -2.497 13.374 246 HH12 ARG 34 2HH1 ARG 34 -6.561 -3.299 12.451 247 HH21 ARG 34 1HH2 ARG 34 -7.781 -0.491 10.780 248 HH22 ARG 34 2HH2 ARG 34 -7.902 -2.221 10.925 249 H LYS 35 H LYS 35 -2.317 5.027 13.999 250 HA LYS 35 HA LYS 35 -2.695 6.712 11.632 251 HB2 LYS 35 1HB LYS 35 -3.636 7.905 13.717 252 HB3 LYS 35 2HB LYS 35 -1.976 7.941 14.324 253 HG2 LYS 35 1HG LYS 35 -1.336 9.232 12.223 254 HG3 LYS 35 2HG LYS 35 -3.027 9.148 11.723 255 HD2 LYS 35 1HD LYS 35 -2.745 11.302 12.740 256 HD3 LYS 35 2HD LYS 35 -3.660 10.320 13.875 257 HE2 LYS 35 1HE LYS 35 -2.046 11.458 15.180 258 HE3 LYS 35 2HE LYS 35 -1.461 9.802 15.070 259 HZ1 LYS 35 3HZ LYS 35 -0.536 12.012 13.329 260 HZ2 LYS 35 1HZ LYS 35 0.109 10.496 13.406 261 HZ3 LYS 35 2HZ LYS 35 0.232 11.520 14.684 262 H ASP 36 H ASP 36 -1.154 4.420 11.943 263 HA ASP 36 HA ASP 36 1.544 5.502 11.690 264 HB2 ASP 36 1HB ASP 36 1.134 4.926 14.124 265 HB3 ASP 36 2HB ASP 36 1.100 3.237 13.671 266 H TYR 37 H TYR 37 -0.036 4.633 9.710 267 HA TYR 37 HA TYR 37 0.246 1.797 9.193 268 HB2 TYR 37 1HB TYR 37 -0.261 3.437 6.808 269 HB3 TYR 37 2HB TYR 37 -1.097 2.065 7.477 270 HD1 TYR 37 2HD TYR 37 -2.151 2.756 10.023 271 HD2 TYR 37 1HD TYR 37 -1.703 5.286 6.540 272 HE1 TYR 37 2HE TYR 37 -4.031 4.120 10.763 273 HE2 TYR 37 1HE TYR 37 -3.487 6.764 7.391 274 HH TYR 37 HH TYR 37 -5.122 6.099 10.548 275 HA PRO 38 HA PRO 38 3.903 3.012 6.385 276 HB2 PRO 38 1HB PRO 38 4.964 5.541 6.419 277 HB3 PRO 38 2HB PRO 38 3.639 5.027 5.325 278 HG2 PRO 38 1HG PRO 38 3.385 6.494 7.974 279 HG3 PRO 38 2HG PRO 38 2.606 6.888 6.406 280 HD2 PRO 38 1HD PRO 38 1.285 5.490 8.310 281 HD3 PRO 38 2HD PRO 38 1.115 5.096 6.581 282 H ALA 39 H ALA 39 5.408 1.932 7.489 283 HA ALA 39 HA ALA 39 7.072 3.051 9.533 284 HB1 ALA 39 1HB ALA 39 5.124 2.516 11.007 285 HB2 ALA 39 2HB ALA 39 5.085 0.871 10.353 286 HB3 ALA 39 3HB ALA 39 6.473 1.406 11.314 287 H LEU 40 H LEU 40 8.890 1.802 9.621 288 HA LEU 40 HA LEU 40 9.874 0.321 7.630 289 HB2 LEU 40 1HB LEU 40 10.424 -0.111 10.587 290 HB3 LEU 40 2HB LEU 40 11.433 -0.741 9.300 291 HG LEU 40 HG LEU 40 10.933 2.216 9.857 292 HD11 LEU 40 1HD1 LEU 40 12.237 1.182 11.616 293 HD12 LEU 40 2HD1 LEU 40 13.309 2.174 10.613 294 HD13 LEU 40 3HD1 LEU 40 13.310 0.405 10.438 295 HD21 LEU 40 3HD2 LEU 40 12.860 0.892 7.897 296 HD22 LEU 40 1HD2 LEU 40 12.799 2.618 8.293 297 HD23 LEU 40 2HD2 LEU 40 11.437 1.866 7.465 298 H LEU 41 H LEU 41 8.829 -1.174 6.587 299 HA LEU 41 HA LEU 41 7.152 -3.218 7.582 300 HB2 LEU 41 1HB LEU 41 8.604 -2.679 5.018 301 HB3 LEU 41 2HB LEU 41 8.076 -4.316 5.261 302 HG LEU 41 HG LEU 41 6.557 -2.788 3.942 303 HD11 LEU 41 1HD1 LEU 41 5.257 -4.177 6.317 304 HD12 LEU 41 2HD1 LEU 41 5.793 -4.975 4.824 305 HD13 LEU 41 3HD1 LEU 41 4.492 -3.778 4.770 306 HD21 LEU 41 3HD2 LEU 41 5.059 -1.281 4.983 307 HD22 LEU 41 1HD2 LEU 41 6.638 -0.850 5.637 308 HD23 LEU 41 2HD2 LEU 41 5.517 -1.795 6.614 309 HA PRO 42 HA PRO 42 10.028 -5.957 9.299 310 HB2 PRO 42 1HB PRO 42 8.888 -8.440 9.080 311 HB3 PRO 42 2HB PRO 42 8.323 -7.168 10.212 312 HG2 PRO 42 1HG PRO 42 7.187 -7.951 7.531 313 HG3 PRO 42 2HG PRO 42 6.334 -7.476 9.038 314 HD2 PRO 42 1HD PRO 42 6.827 -5.785 6.884 315 HD3 PRO 42 2HD PRO 42 6.585 -5.204 8.552 316 H LEU 43 H LEU 43 11.860 -7.002 8.791 317 HA LEU 43 HA LEU 43 12.197 -8.192 6.070 318 HB2 LEU 43 1HB LEU 43 13.913 -6.230 7.672 319 HB3 LEU 43 2HB LEU 43 14.569 -7.203 6.341 320 HG LEU 43 HG LEU 43 12.400 -5.085 6.232 321 HD11 LEU 43 1HD1 LEU 43 14.725 -4.340 6.572 322 HD12 LEU 43 2HD1 LEU 43 14.198 -3.924 4.928 323 HD13 LEU 43 3HD1 LEU 43 15.274 -5.318 5.227 324 HD21 LEU 43 3HD2 LEU 43 12.547 -5.339 3.743 325 HD22 LEU 43 1HD2 LEU 43 11.781 -6.693 4.540 326 HD23 LEU 43 2HD2 LEU 43 13.455 -6.861 3.992 327 H ASN 44 H ASN 44 13.481 -9.999 5.892 328 HA ASN 44 HA ASN 44 14.496 -11.285 8.393 329 HB2 ASN 44 1HB ASN 44 12.477 -12.473 7.483 330 HB3 ASN 44 2HB ASN 44 13.266 -12.562 5.913 331 HD21 ASN 44 1HD2 ASN 44 13.048 -14.973 6.110 332 HD22 ASN 44 2HD2 ASN 44 14.188 -15.819 7.135 333 H GLU 45 H GLU 45 16.722 -10.849 8.183 334 HA GLU 45 HA GLU 45 17.998 -10.490 5.721 335 HB2 GLU 45 1HB GLU 45 20.058 -10.548 6.883 336 HB3 GLU 45 2HB GLU 45 18.846 -9.716 7.850 337 HG2 GLU 45 1HG GLU 45 18.609 -12.077 9.048 338 HG3 GLU 45 2HG GLU 45 20.183 -12.392 8.324 339 H SER 46 H SER 46 17.031 -13.577 7.016 340 HA SER 46 HA SER 46 19.022 -15.075 5.456 341 HB2 SER 46 1HB SER 46 16.605 -15.960 7.086 342 HB3 SER 46 2HB SER 46 17.749 -17.050 6.276 343 HG SER 46 HG SER 46 19.432 -15.873 7.481 344 H GLU 47 H GLU 47 16.142 -13.447 4.648 345 HA GLU 47 HA GLU 47 15.623 -15.300 2.364 346 HB2 GLU 47 1HB GLU 47 13.862 -14.768 4.208 347 HB3 GLU 47 2HB GLU 47 13.780 -13.165 3.508 348 HG2 GLU 47 1HG GLU 47 12.009 -14.488 2.585 349 HG3 GLU 47 2HG GLU 47 13.175 -14.265 1.300 350 H LEU 48 H LEU 48 17.308 -12.578 3.101 351 HA LEU 48 HA LEU 48 16.556 -11.093 0.626 352 HB2 LEU 48 1HB LEU 48 18.271 -10.245 2.990 353 HB3 LEU 48 2HB LEU 48 17.906 -9.285 1.581 354 HG LEU 48 HG LEU 48 16.155 -10.001 3.893 355 HD11 LEU 48 1HD1 LEU 48 16.573 -7.420 2.400 356 HD12 LEU 48 2HD1 LEU 48 17.477 -7.954 3.852 357 HD13 LEU 48 3HD1 LEU 48 15.734 -7.651 3.949 358 HD21 LEU 48 3HD2 LEU 48 14.140 -9.122 2.777 359 HD22 LEU 48 1HD2 LEU 48 14.658 -10.657 2.112 360 HD23 LEU 48 2HD2 LEU 48 14.998 -9.153 1.218 361 H GLU 49 H GLU 49 18.144 -10.371 -0.798 362 HA GLU 49 HA GLU 49 20.659 -11.935 -0.939 363 HB2 GLU 49 1HB GLU 49 18.918 -10.708 -3.127 364 HB3 GLU 49 2HB GLU 49 20.496 -11.480 -3.372 365 HG2 GLU 49 1HG GLU 49 19.513 -13.561 -2.248 366 HG3 GLU 49 2HG GLU 49 17.931 -12.804 -2.419 367 H GLU 50 H GLU 50 22.485 -10.784 -1.879 368 HA GLU 50 HA GLU 50 22.468 -7.921 -1.890 369 HB2 GLU 50 1HB GLU 50 24.193 -7.666 -0.211 370 HB3 GLU 50 2HB GLU 50 22.848 -8.538 0.500 371 HG2 GLU 50 1HG GLU 50 24.437 -9.913 1.303 372 HG3 GLU 50 2HG GLU 50 24.360 -10.672 -0.275 373 H GLN 51 H GLN 51 24.830 -7.249 -2.727 374 HA GLN 51 HA GLN 51 26.077 -9.411 -4.284 375 HB2 GLN 51 1HB GLN 51 24.638 -7.005 -5.419 376 HB3 GLN 51 2HB GLN 51 26.068 -7.580 -6.226 377 HG2 GLN 51 1HG GLN 51 23.594 -9.268 -5.674 378 HG3 GLN 51 2HG GLN 51 23.911 -8.407 -7.170 379 HE21 GLN 51 1HE2 GLN 51 26.579 -8.935 -7.852 380 HE22 GLN 51 2HE2 GLN 51 26.745 -10.682 -7.963 381 H PHE 52 H PHE 52 28.140 -8.494 -5.309 382 HA PHE 52 HA PHE 52 29.379 -6.521 -3.454 383 HB2 PHE 52 1HB PHE 52 30.692 -8.872 -4.854 384 HB3 PHE 52 2HB PHE 52 31.486 -7.735 -3.775 385 HD1 PHE 52 2HD PHE 52 30.956 -7.715 -1.315 386 HD2 PHE 52 1HD PHE 52 29.293 -10.670 -3.985 387 HE1 PHE 52 2HE PHE 52 30.106 -9.005 0.627 388 HE2 PHE 52 1HE PHE 52 28.487 -11.951 -2.032 389 HZ PHE 52 HZ PHE 52 28.733 -11.063 0.238 390 H VAL 53 H VAL 53 31.208 -5.384 -4.255 391 HA VAL 53 HA VAL 53 31.059 -4.681 -7.149 392 HB VAL 53 HB VAL 53 31.926 -2.884 -4.885 393 HG11 VAL 53 1HG1 VAL 53 31.225 -2.312 -7.798 394 HG12 VAL 53 2HG1 VAL 53 31.647 -1.088 -6.586 395 HG13 VAL 53 3HG1 VAL 53 32.850 -2.285 -7.073 396 HG21 VAL 53 3HG2 VAL 53 29.726 -1.663 -5.259 397 HG22 VAL 53 1HG2 VAL 53 29.194 -3.042 -6.244 398 HG23 VAL 53 2HG2 VAL 53 29.547 -3.251 -4.511 399 H LYS 54 H LYS 54 32.655 -5.743 -7.956 400 HA LYS 54 HA LYS 54 35.353 -5.770 -6.694 401 HB2 LYS 54 1HB LYS 54 33.860 -7.913 -6.375 402 HB3 LYS 54 2HB LYS 54 34.261 -8.219 -8.068 403 HG2 LYS 54 1HG LYS 54 36.752 -7.679 -7.177 404 HG3 LYS 54 2HG LYS 54 36.026 -8.004 -5.615 405 HD2 LYS 54 1HD LYS 54 37.128 -10.000 -6.493 406 HD3 LYS 54 2HD LYS 54 35.393 -10.264 -6.334 407 HE2 LYS 54 1HE LYS 54 36.367 -11.219 -8.439 408 HE3 LYS 54 2HE LYS 54 35.041 -10.088 -8.709 409 HZ1 LYS 54 3HZ LYS 54 37.902 -9.399 -8.972 410 HZ2 LYS 54 1HZ LYS 54 36.640 -8.380 -9.259 411 HZ3 LYS 54 2HZ LYS 54 36.868 -9.688 -10.221 412 H GLY 55 H GLY 55 34.132 -4.170 -8.991 413 HA2 GLY 55 1HA GLY 55 36.147 -3.796 -10.686 414 HA3 GLY 55 2HA GLY 55 35.339 -5.204 -11.424 415 H HIS 56 H HIS 56 34.977 -3.490 -13.179 416 HA HIS 56 HA HIS 56 32.537 -1.877 -12.639 417 HB2 HIS 56 1HB HIS 56 34.733 -0.645 -13.215 418 HB3 HIS 56 2HB HIS 56 34.611 -1.385 -14.816 419 HD1 HIS 56 1HD HIS 56 32.578 -0.365 -16.421 420 HD2 HIS 56 2HD HIS 56 32.955 1.187 -12.511 421 HE1 HIS 56 1HE HIS 56 31.134 1.714 -16.328 422 H GLY 57 H GLY 57 31.091 -1.765 -14.598 423 HA2 GLY 57 1HA GLY 57 30.796 -4.436 -15.747 424 HA3 GLY 57 2HA GLY 57 29.711 -3.049 -15.982 425 HA PRO 58 HA PRO 58 32.735 -3.462 -19.652 426 HB2 PRO 58 1HB PRO 58 31.545 -5.177 -21.380 427 HB3 PRO 58 2HB PRO 58 32.448 -5.770 -19.962 428 HG2 PRO 58 1HG PRO 58 29.445 -5.339 -20.176 429 HG3 PRO 58 2HG PRO 58 30.307 -6.819 -19.646 430 HD2 PRO 58 1HD PRO 58 29.369 -4.953 -17.877 431 HD3 PRO 58 2HD PRO 58 30.886 -5.852 -17.585 432 H GLY 59 H GLY 59 31.359 -1.283 -19.110 433 HA2 GLY 59 1HA GLY 59 30.134 -0.471 -21.657 434 HA3 GLY 59 2HA GLY 59 29.120 -0.350 -20.204 435 H GLY 60 H GLY 60 31.292 1.335 -22.088 436 HA2 GLY 60 1HA GLY 60 32.845 2.768 -20.144 437 HA3 GLY 60 2HA GLY 60 32.622 3.177 -21.847 438 H GLN 61 H GLN 61 29.779 2.862 -19.821 439 HA GLN 61 HA GLN 61 28.877 5.525 -20.386 440 HB2 GLN 61 1HB GLN 61 27.004 4.944 -18.919 441 HB3 GLN 61 2HB GLN 61 27.356 3.621 -20.033 442 HG2 GLN 61 1HG GLN 61 28.589 2.423 -18.201 443 HG3 GLN 61 2HG GLN 61 28.179 3.732 -17.088 444 HE21 GLN 61 1HE2 GLN 61 25.716 4.184 -16.844 445 HE22 GLN 61 2HE2 GLN 61 24.707 2.739 -16.900 446 H ALA 62 H ALA 62 30.986 4.282 -17.940 447 HA ALA 62 HA ALA 62 31.641 6.739 -16.777 448 HB1 ALA 62 1HB ALA 62 30.825 6.295 -14.457 449 HB2 ALA 62 2HB ALA 62 29.456 6.471 -15.557 450 HB3 ALA 62 3HB ALA 62 29.965 4.847 -15.030 451 H THR 63 H THR 63 32.947 5.898 -14.528 452 HA THR 63 HA THR 63 34.004 3.261 -14.717 453 HB THR 63 HB THR 63 35.257 4.342 -16.564 454 HG1 THR 63 1HG THR 63 36.432 2.845 -15.749 455 HG21 THR 63 3HG2 THR 63 35.351 6.682 -15.760 456 HG22 THR 63 1HG2 THR 63 36.952 6.038 -16.154 457 HG23 THR 63 2HG2 THR 63 36.454 6.186 -14.456 458 H ASN 64 H ASN 64 35.102 2.788 -12.690 459 HA ASN 64 HA ASN 64 35.664 4.847 -10.789 460 HB2 ASN 64 1HB ASN 64 34.041 4.524 -9.162 461 HB3 ASN 64 2HB ASN 64 33.078 4.560 -10.621 462 HD21 ASN 64 1HD2 ASN 64 31.703 2.713 -10.990 463 HD22 ASN 64 2HD2 ASN 64 31.806 1.299 -9.945 464 H LYS 65 H LYS 65 36.330 3.697 -8.656 465 HA LYS 65 HA LYS 65 37.199 0.912 -8.965 466 HB2 LYS 65 1HB LYS 65 39.209 3.191 -8.602 467 HB3 LYS 65 2HB LYS 65 39.539 1.502 -8.265 468 HG2 LYS 65 1HG LYS 65 40.435 1.597 -10.334 469 HG3 LYS 65 2HG LYS 65 38.829 1.041 -10.714 470 HD2 LYS 65 1HD LYS 65 38.837 2.656 -12.270 471 HD3 LYS 65 2HD LYS 65 38.501 3.791 -10.977 472 HE2 LYS 65 1HE LYS 65 41.278 3.035 -11.996 473 HE3 LYS 65 2HE LYS 65 40.367 4.451 -12.522 474 HZ1 LYS 65 3HZ LYS 65 40.450 5.297 -10.278 475 HZ2 LYS 65 1HZ LYS 65 41.968 5.003 -10.823 476 HZ3 LYS 65 2HZ LYS 65 41.275 3.965 -9.752 477 H THR 66 H THR 66 35.120 1.681 -7.316 478 HA THR 66 HA THR 66 36.051 2.576 -4.731 479 HB THR 66 HB THR 66 33.739 1.880 -4.049 480 HG1 THR 66 1HG THR 66 33.595 0.239 -5.700 481 HG21 THR 66 3HG2 THR 66 33.822 3.628 -6.550 482 HG22 THR 66 1HG2 THR 66 34.168 4.175 -4.889 483 HG23 THR 66 2HG2 THR 66 32.551 3.594 -5.316 484 H SER 67 H SER 67 37.528 1.247 -3.639 485 HA SER 67 HA SER 67 37.401 -1.637 -3.837 486 HB2 SER 67 1HB SER 67 39.501 -0.294 -3.425 487 HB3 SER 67 2HB SER 67 38.895 0.057 -1.791 488 HG SER 67 HG SER 67 38.663 -2.377 -1.732 489 H ASN 68 H ASN 68 35.515 0.570 -1.998 490 HA ASN 68 HA ASN 68 34.451 -1.570 -0.314 491 HB2 ASN 68 1HB ASN 68 34.393 -0.066 1.664 492 HB3 ASN 68 2HB ASN 68 35.978 -0.706 1.270 493 HD21 ASN 68 1HD2 ASN 68 37.643 0.742 0.542 494 HD22 ASN 68 2HD2 ASN 68 37.454 2.487 0.689 495 H CYS 69 H CYS 69 32.518 -1.595 -1.287 496 HA CYS 69 HA CYS 69 30.711 0.629 -1.114 497 HB2 CYS 69 1HB CYS 69 31.946 0.936 -3.358 498 HB3 CYS 69 2HB CYS 69 31.247 -0.620 -3.846 499 HG CYS 69 HG CYS 69 30.017 2.334 -3.240 500 H VAL 70 H VAL 70 28.577 -0.389 -0.974 501 HA VAL 70 HA VAL 70 28.481 -3.338 -1.367 502 HB VAL 70 HB VAL 70 27.558 -1.682 1.017 503 HG11 VAL 70 1HG1 VAL 70 26.545 -3.756 1.930 504 HG12 VAL 70 2HG1 VAL 70 25.692 -3.184 0.493 505 HG13 VAL 70 3HG1 VAL 70 26.807 -4.565 0.369 506 HG21 VAL 70 3HG2 VAL 70 28.852 -3.477 2.252 507 HG22 VAL 70 1HG2 VAL 70 29.395 -4.094 0.692 508 HG23 VAL 70 2HG2 VAL 70 29.864 -2.468 1.200 509 H VAL 71 H VAL 71 26.737 -4.039 -2.461 510 HA VAL 71 HA VAL 71 24.621 -2.071 -3.133 511 HB VAL 71 HB VAL 71 24.476 -3.223 -5.315 512 HG11 VAL 71 1HG1 VAL 71 25.704 -1.062 -4.858 513 HG12 VAL 71 2HG1 VAL 71 27.207 -1.969 -4.793 514 HG13 VAL 71 3HG1 VAL 71 26.262 -1.935 -6.298 515 HG21 VAL 71 3HG2 VAL 71 27.235 -4.385 -4.655 516 HG22 VAL 71 1HG2 VAL 71 25.729 -5.306 -4.710 517 HG23 VAL 71 2HG2 VAL 71 26.340 -4.537 -6.180 518 H LEU 72 H LEU 72 22.611 -2.680 -2.716 519 HA LEU 72 HA LEU 72 22.173 -5.474 -1.799 520 HB2 LEU 72 1HB LEU 72 22.426 -3.749 0.054 521 HB3 LEU 72 2HB LEU 72 20.980 -2.956 -0.587 522 HG LEU 72 HG LEU 72 19.736 -5.134 -0.229 523 HD11 LEU 72 1HD1 LEU 72 20.798 -6.737 1.426 524 HD12 LEU 72 2HD1 LEU 72 22.336 -5.889 1.195 525 HD13 LEU 72 3HD1 LEU 72 21.566 -6.734 -0.160 526 HD21 LEU 72 3HD2 LEU 72 21.057 -3.997 2.254 527 HD22 LEU 72 1HD2 LEU 72 19.493 -4.831 2.149 528 HD23 LEU 72 2HD2 LEU 72 19.698 -3.250 1.390 529 H LYS 73 H LYS 73 20.260 -6.384 -2.431 530 HA LYS 73 HA LYS 73 18.404 -4.831 -4.155 531 HB2 LYS 73 1HB LYS 73 19.840 -5.800 -5.738 532 HB3 LYS 73 2HB LYS 73 20.035 -7.297 -4.839 533 HG2 LYS 73 1HG LYS 73 17.256 -6.666 -5.825 534 HG3 LYS 73 2HG LYS 73 18.470 -7.063 -7.028 535 HD2 LYS 73 1HD LYS 73 18.904 -9.211 -6.126 536 HD3 LYS 73 2HD LYS 73 18.017 -8.903 -4.636 537 HE2 LYS 73 1HE LYS 73 15.922 -9.010 -5.688 538 HE3 LYS 73 2HE LYS 73 16.609 -8.673 -7.277 539 HZ1 LYS 73 3HZ LYS 73 17.130 -11.241 -5.851 540 HZ2 LYS 73 1HZ LYS 73 17.557 -10.824 -7.360 541 HZ3 LYS 73 2HZ LYS 73 15.969 -10.994 -7.024 542 H HIS 74 H HIS 74 16.323 -5.282 -3.745 543 HA HIS 74 HA HIS 74 15.695 -7.272 -1.722 544 HB2 HIS 74 1HB HIS 74 14.796 -4.742 -2.054 545 HB3 HIS 74 2HB HIS 74 13.556 -5.612 -2.945 546 HD1 HIS 74 1HD HIS 74 11.590 -6.128 -1.224 547 HD2 HIS 74 2HD HIS 74 15.486 -6.416 0.395 548 HE1 HIS 74 1HE HIS 74 11.334 -6.771 1.230 549 H VAL 75 H VAL 75 14.609 -9.175 -2.120 550 HA VAL 75 HA VAL 75 14.319 -10.022 -4.861 551 HB VAL 75 HB VAL 75 13.738 -11.319 -2.177 552 HG11 VAL 75 1HG1 VAL 75 13.421 -13.441 -3.443 553 HG12 VAL 75 2HG1 VAL 75 12.116 -12.286 -3.722 554 HG13 VAL 75 3HG1 VAL 75 13.375 -12.510 -4.962 555 HG21 VAL 75 3HG2 VAL 75 16.116 -11.032 -2.799 556 HG22 VAL 75 1HG2 VAL 75 15.628 -12.726 -2.779 557 HG23 VAL 75 2HG2 VAL 75 15.804 -11.886 -4.328 558 HA PRO 76 HA PRO 76 9.615 -10.202 -4.101 559 HB2 PRO 76 1HB PRO 76 8.408 -8.881 -2.006 560 HB3 PRO 76 2HB PRO 76 9.039 -10.554 -1.907 561 HG2 PRO 76 1HG PRO 76 10.483 -8.011 -1.153 562 HG3 PRO 76 2HG PRO 76 10.219 -9.467 -0.121 563 HD2 PRO 76 1HD PRO 76 12.512 -9.199 -1.435 564 HD3 PRO 76 2HD PRO 76 11.669 -10.777 -1.504 565 H SER 77 H SER 77 11.318 -7.206 -3.640 566 HA SER 77 HA SER 77 9.158 -5.783 -5.185 567 HB2 SER 77 1HB SER 77 9.974 -3.713 -4.070 568 HB3 SER 77 2HB SER 77 9.159 -4.876 -3.046 569 HG SER 77 HG SER 77 11.110 -3.934 -2.198 570 H GLY 78 H GLY 78 12.405 -6.861 -5.413 571 HA2 GLY 78 1HA GLY 78 13.949 -6.512 -7.063 572 HA3 GLY 78 2HA GLY 78 12.718 -5.614 -7.953 573 H ILE 79 H ILE 79 13.000 -4.095 -4.934 574 HA ILE 79 HA ILE 79 14.211 -1.765 -6.045 575 HB ILE 79 HB ILE 79 13.996 -2.519 -3.118 576 HG12 ILE 79 1HG1 ILE 79 11.934 -0.872 -4.634 577 HG13 ILE 79 2HG1 ILE 79 11.779 -2.598 -4.383 578 HG21 ILE 79 1HG2 ILE 79 13.969 -0.064 -2.709 579 HG22 ILE 79 2HG2 ILE 79 15.457 -0.546 -3.506 580 HG23 ILE 79 3HG2 ILE 79 14.168 0.230 -4.449 581 HD11 ILE 79 3HD1 ILE 79 12.123 -2.114 -1.851 582 HD12 ILE 79 1HD1 ILE 79 11.740 -0.433 -2.282 583 HD13 ILE 79 2HD1 ILE 79 10.575 -1.729 -2.594 584 H VAL 80 H VAL 80 16.363 -1.100 -6.154 585 HA VAL 80 HA VAL 80 18.409 -2.740 -4.724 586 HB VAL 80 HB VAL 80 18.655 -1.528 -7.506 587 HG11 VAL 80 1HG1 VAL 80 20.733 -2.839 -7.686 588 HG12 VAL 80 2HG1 VAL 80 20.845 -1.681 -6.365 589 HG13 VAL 80 3HG1 VAL 80 20.550 -3.401 -6.016 590 HG21 VAL 80 3HG2 VAL 80 18.785 -4.024 -8.191 591 HG22 VAL 80 1HG2 VAL 80 18.062 -4.383 -6.617 592 HG23 VAL 80 2HG2 VAL 80 17.193 -3.378 -7.784 593 H VAL 81 H VAL 81 20.313 -1.520 -3.970 594 HA VAL 81 HA VAL 81 20.239 1.373 -4.210 595 HB VAL 81 HB VAL 81 18.586 0.845 -2.370 596 HG11 VAL 81 1HG1 VAL 81 19.329 0.204 -0.183 597 HG12 VAL 81 2HG1 VAL 81 19.792 -1.066 -1.326 598 HG13 VAL 81 3HG1 VAL 81 21.023 0.072 -0.709 599 HG21 VAL 81 3HG2 VAL 81 19.298 2.604 -0.890 600 HG22 VAL 81 1HG2 VAL 81 20.975 2.480 -1.439 601 HG23 VAL 81 2HG2 VAL 81 19.705 3.044 -2.555 602 H LYS 82 H LYS 82 22.254 2.340 -3.400 603 HA LYS 82 HA LYS 82 24.465 0.370 -3.031 604 HB2 LYS 82 1HB LYS 82 24.581 2.996 -4.578 605 HB3 LYS 82 2HB LYS 82 25.873 1.818 -4.333 606 HG2 LYS 82 1HG LYS 82 25.247 1.030 -6.371 607 HG3 LYS 82 2HG LYS 82 24.040 0.157 -5.440 608 HD2 LYS 82 1HD LYS 82 22.855 1.040 -7.231 609 HD3 LYS 82 2HD LYS 82 22.438 2.107 -5.886 610 HE2 LYS 82 1HE LYS 82 24.224 3.707 -6.701 611 HE3 LYS 82 2HE LYS 82 24.498 2.631 -8.076 612 HZ1 LYS 82 3HZ LYS 82 22.949 4.466 -8.573 613 HZ2 LYS 82 1HZ LYS 82 21.937 3.950 -7.431 614 HZ3 LYS 82 2HZ LYS 82 22.184 2.982 -8.724 615 H CYS 83 H CYS 83 25.775 0.777 -1.300 616 HA CYS 83 HA CYS 83 25.576 3.400 0.094 617 HB2 CYS 83 1HB CYS 83 25.022 0.637 1.218 618 HB3 CYS 83 2HB CYS 83 25.617 1.948 2.259 619 HG CYS 83 HG CYS 83 23.000 1.923 0.258 620 H HIS 84 H HIS 84 27.270 3.965 1.361 621 HA HIS 84 HA HIS 84 29.694 2.411 1.621 622 HB2 HIS 84 1HB HIS 84 31.063 4.288 0.567 623 HB3 HIS 84 2HB HIS 84 30.176 3.281 -0.571 624 HD1 HIS 84 1HD HIS 84 30.245 6.947 0.673 625 HD2 HIS 84 2HD HIS 84 27.989 4.320 -1.745 626 HE1 HIS 84 1HE HIS 84 28.694 8.393 -0.707 627 H GLN 85 H GLN 85 31.048 3.310 3.175 628 HA GLN 85 HA GLN 85 30.512 5.847 4.436 629 HB2 GLN 85 1HB GLN 85 28.624 4.595 5.472 630 HB3 GLN 85 2HB GLN 85 29.737 3.349 6.031 631 HG2 GLN 85 1HG GLN 85 30.984 5.333 7.246 632 HG3 GLN 85 2HG GLN 85 29.528 6.251 6.899 633 HE21 GLN 85 1HE2 GLN 85 30.996 3.793 8.966 634 HE22 GLN 85 2HE2 GLN 85 29.544 3.491 9.902 635 H THR 86 H THR 86 31.516 2.733 5.788 636 HA THR 86 HA THR 86 34.279 3.696 6.179 637 HB THR 86 HB THR 86 33.088 3.155 8.203 638 HG1 THR 86 1HG THR 86 34.356 1.555 9.064 639 HG21 THR 86 3HG2 THR 86 32.232 0.882 8.678 640 HG22 THR 86 1HG2 THR 86 32.410 0.472 6.959 641 HG23 THR 86 2HG2 THR 86 31.280 1.754 7.469 642 H ARG 87 H ARG 87 35.786 1.674 6.268 643 HA ARG 87 HA ARG 87 35.750 0.488 3.571 644 HB2 ARG 87 1HB ARG 87 37.787 0.583 5.840 645 HB3 ARG 87 2HB ARG 87 38.030 -0.365 4.393 646 HG2 ARG 87 1HG ARG 87 39.197 1.802 4.364 647 HG3 ARG 87 2HG ARG 87 38.147 1.541 2.985 648 HD2 ARG 87 1HD ARG 87 36.530 3.140 3.808 649 HD3 ARG 87 2HD ARG 87 37.350 3.211 5.387 650 HE ARG 87 HE ARG 87 38.741 4.029 2.891 651 HH11 ARG 87 1HH1 ARG 87 37.052 5.294 5.768 652 HH12 ARG 87 2HH1 ARG 87 38.111 6.642 5.920 653 HH21 ARG 87 1HH2 ARG 87 40.170 5.824 3.213 654 HH22 ARG 87 2HH2 ARG 87 39.859 6.924 4.545 655 H SER 88 H SER 88 34.791 -0.437 6.874 656 HA SER 88 HA SER 88 35.290 -3.250 6.328 657 HB2 SER 88 1HB SER 88 33.891 -1.794 8.597 658 HB3 SER 88 2HB SER 88 34.179 -3.542 8.482 659 HG SER 88 HG SER 88 36.412 -3.125 8.319 660 H VAL 89 H VAL 89 34.065 -4.439 5.077 661 HA VAL 89 HA VAL 89 31.544 -3.666 4.097 662 HB VAL 89 HB VAL 89 33.061 -5.295 3.022 663 HG11 VAL 89 1HG1 VAL 89 32.024 -7.369 4.997 664 HG12 VAL 89 2HG1 VAL 89 33.164 -7.605 3.673 665 HG13 VAL 89 3HG1 VAL 89 33.632 -6.630 5.082 666 HG21 VAL 89 3HG2 VAL 89 30.259 -6.405 3.510 667 HG22 VAL 89 1HG2 VAL 89 30.713 -5.172 2.312 668 HG23 VAL 89 2HG2 VAL 89 31.340 -6.817 2.161 669 H ASP 90 H ASP 90 32.395 -5.710 6.933 670 HA ASP 90 HA ASP 90 29.958 -6.716 7.617 671 HB2 ASP 90 1HB ASP 90 30.799 -7.211 9.683 672 HB3 ASP 90 2HB ASP 90 32.292 -6.956 8.781 673 H GLN 91 H GLN 91 31.099 -3.433 8.216 674 HA GLN 91 HA GLN 91 28.824 -2.614 9.807 675 HB2 GLN 91 1HB GLN 91 31.344 -1.583 9.518 676 HB3 GLN 91 2HB GLN 91 30.537 -0.737 8.223 677 HG2 GLN 91 1HG GLN 91 30.290 0.762 9.992 678 HG3 GLN 91 2HG GLN 91 28.734 -0.058 9.992 679 HE21 GLN 91 1HE2 GLN 91 31.306 0.917 11.928 680 HE22 GLN 91 2HE2 GLN 91 31.143 -0.170 13.278 681 H ASN 92 H ASN 92 29.978 -1.990 6.488 682 HA ASN 92 HA ASN 92 27.862 -0.426 5.537 683 HB2 ASN 92 1HB ASN 92 29.655 -2.309 4.010 684 HB3 ASN 92 2HB ASN 92 28.611 -1.084 3.286 685 HD21 ASN 92 1HD2 ASN 92 31.682 -1.371 3.351 686 HD22 ASN 92 2HD2 ASN 92 32.221 0.165 3.979 687 H ARG 93 H ARG 93 27.975 -3.946 5.876 688 HA ARG 93 HA ARG 93 25.727 -4.686 4.357 689 HB2 ARG 93 1HB ARG 93 26.608 -5.725 7.088 690 HB3 ARG 93 2HB ARG 93 25.354 -6.480 6.114 691 HG2 ARG 93 1HG ARG 93 27.020 -6.949 4.328 692 HG3 ARG 93 2HG ARG 93 28.285 -6.290 5.353 693 HD2 ARG 93 1HD ARG 93 26.612 -8.749 5.871 694 HD3 ARG 93 2HD ARG 93 28.340 -8.681 5.523 695 HE ARG 93 HE ARG 93 27.760 -7.206 7.915 696 HH11 ARG 93 1HH1 ARG 93 28.006 -10.594 6.740 697 HH12 ARG 93 2HH1 ARG 93 28.044 -11.263 8.302 698 HH21 ARG 93 1HH2 ARG 93 27.992 -8.155 10.042 699 HH22 ARG 93 2HH2 ARG 93 28.324 -9.842 10.192 700 H LYS 94 H LYS 94 25.741 -3.538 7.824 701 HA LYS 94 HA LYS 94 22.822 -3.662 7.814 702 HB2 LYS 94 1HB LYS 94 22.828 -2.878 10.030 703 HB3 LYS 94 2HB LYS 94 24.026 -4.130 9.820 704 HG2 LYS 94 1HG LYS 94 25.289 -1.516 9.494 705 HG3 LYS 94 2HG LYS 94 24.325 -1.515 10.947 706 HD2 LYS 94 1HD LYS 94 26.452 -3.592 10.319 707 HD3 LYS 94 2HD LYS 94 26.644 -2.186 11.382 708 HE2 LYS 94 1HE LYS 94 24.671 -3.033 12.736 709 HE3 LYS 94 2HE LYS 94 24.708 -4.516 11.777 710 HZ1 LYS 94 3HZ LYS 94 26.998 -4.856 12.583 711 HZ2 LYS 94 1HZ LYS 94 25.914 -4.757 13.833 712 HZ3 LYS 94 2HZ LYS 94 26.895 -3.495 13.473 713 H ILE 95 H ILE 95 25.078 -1.168 6.973 714 HA ILE 95 HA ILE 95 23.280 1.065 7.322 715 HB ILE 95 HB ILE 95 25.729 0.715 5.548 716 HG12 ILE 95 1HG1 ILE 95 25.415 2.176 8.218 717 HG13 ILE 95 2HG1 ILE 95 26.001 0.526 8.107 718 HG21 ILE 95 1HG2 ILE 95 24.173 3.238 6.290 719 HG22 ILE 95 2HG2 ILE 95 25.737 3.231 5.453 720 HG23 ILE 95 3HG2 ILE 95 24.325 2.537 4.667 721 HD11 ILE 95 3HD1 ILE 95 27.944 1.258 6.775 722 HD12 ILE 95 1HD1 ILE 95 27.384 2.934 6.903 723 HD13 ILE 95 2HD1 ILE 95 27.857 2.036 8.357 724 H ALA 96 H ALA 96 24.163 -1.018 4.505 725 HA ALA 96 HA ALA 96 22.327 0.180 2.697 726 HB1 ALA 96 1HB ALA 96 24.216 -1.328 2.042 727 HB2 ALA 96 2HB ALA 96 23.398 -2.695 2.818 728 HB3 ALA 96 3HB ALA 96 22.670 -1.912 1.404 729 H ARG 97 H ARG 97 21.933 -2.559 4.975 730 HA ARG 97 HA ARG 97 19.291 -3.266 4.121 731 HB2 ARG 97 1HB ARG 97 20.764 -3.645 6.749 732 HB3 ARG 97 2HB ARG 97 19.143 -4.279 6.444 733 HG2 ARG 97 1HG ARG 97 19.924 -5.688 4.626 734 HG3 ARG 97 2HG ARG 97 21.540 -4.981 4.690 735 HD2 ARG 97 1HD ARG 97 21.827 -5.816 7.001 736 HD3 ARG 97 2HD ARG 97 20.191 -6.495 6.956 737 HE ARG 97 HE ARG 97 21.584 -7.586 4.769 738 HH11 ARG 97 1HH1 ARG 97 21.447 -7.778 8.324 739 HH12 ARG 97 2HH1 ARG 97 21.902 -9.407 8.395 740 HH21 ARG 97 1HH2 ARG 97 22.519 -9.629 4.854 741 HH22 ARG 97 2HH2 ARG 97 22.841 -10.437 6.353 742 H LYS 98 H LYS 98 20.338 -1.057 6.838 743 HA LYS 98 HA LYS 98 17.665 -0.546 7.549 744 HB2 LYS 98 1HB LYS 98 18.367 1.303 8.883 745 HB3 LYS 98 2HB LYS 98 19.429 -0.073 9.073 746 HG2 LYS 98 1HG LYS 98 20.942 1.629 9.103 747 HG3 LYS 98 2HG LYS 98 21.008 1.133 7.444 748 HD2 LYS 98 1HD LYS 98 21.023 3.478 7.316 749 HD3 LYS 98 2HD LYS 98 19.340 3.103 6.984 750 HE2 LYS 98 1HE LYS 98 19.364 4.926 8.512 751 HE3 LYS 98 2HE LYS 98 18.797 3.514 9.408 752 HZ1 LYS 98 3HZ LYS 98 21.513 4.684 9.488 753 HZ2 LYS 98 1HZ LYS 98 21.081 3.338 10.311 754 HZ3 LYS 98 2HZ LYS 98 20.394 4.792 10.665 755 H VAL 99 H VAL 99 19.626 1.154 5.037 756 HA VAL 99 HA VAL 99 17.528 3.076 4.641 757 HB VAL 99 HB VAL 99 19.909 3.448 4.020 758 HG11 VAL 99 1HG1 VAL 99 19.402 1.571 1.707 759 HG12 VAL 99 2HG1 VAL 99 20.702 2.770 1.796 760 HG13 VAL 99 3HG1 VAL 99 20.630 1.479 2.994 761 HG21 VAL 99 3HG2 VAL 99 19.388 4.761 2.021 762 HG22 VAL 99 1HG2 VAL 99 17.968 3.759 1.676 763 HG23 VAL 99 2HG2 VAL 99 17.994 4.809 3.107 764 H LEU 100 H LEU 100 18.187 -0.155 3.193 765 HA LEU 100 HA LEU 100 16.279 0.135 1.105 766 HB2 LEU 100 1HB LEU 100 18.072 -1.553 1.130 767 HB3 LEU 100 2HB LEU 100 17.280 -2.401 2.460 768 HG LEU 100 HG LEU 100 15.367 -2.955 1.033 769 HD11 LEU 100 1HD1 LEU 100 15.100 -1.079 -0.405 770 HD12 LEU 100 2HD1 LEU 100 15.455 -2.464 -1.424 771 HD13 LEU 100 3HD1 LEU 100 16.741 -1.277 -1.101 772 HD21 LEU 100 3HD2 LEU 100 16.509 -4.424 -0.586 773 HD22 LEU 100 1HD2 LEU 100 17.366 -4.422 0.947 774 HD23 LEU 100 2HD2 LEU 100 17.995 -3.478 -0.429 775 H GLN 101 H GLN 101 15.947 -1.000 4.486 776 HA GLN 101 HA GLN 101 13.328 -1.994 4.349 777 HB2 GLN 101 1HB GLN 101 15.028 -2.024 6.261 778 HB3 GLN 101 2HB GLN 101 14.443 -0.431 6.694 779 HG2 GLN 101 1HG GLN 101 12.169 -1.354 7.084 780 HG3 GLN 101 2HG GLN 101 12.649 -2.894 6.454 781 HE21 GLN 101 1HE2 GLN 101 11.884 -3.738 8.538 782 HE22 GLN 101 2HE2 GLN 101 13.060 -3.823 9.851 783 H GLU 102 H GLU 102 14.468 1.406 4.507 784 HA GLU 102 HA GLU 102 11.908 2.596 5.031 785 HB2 GLU 102 1HB GLU 102 14.175 3.936 3.505 786 HB3 GLU 102 2HB GLU 102 12.935 4.673 4.519 787 HG2 GLU 102 1HG GLU 102 13.993 3.454 6.492 788 HG3 GLU 102 2HG GLU 102 15.317 3.032 5.401 789 H LYS 103 H LYS 103 13.541 1.508 2.095 790 HA LYS 103 HA LYS 103 11.664 2.887 0.285 791 HB2 LYS 103 1HB LYS 103 13.654 0.654 -0.332 792 HB3 LYS 103 2HB LYS 103 12.768 1.655 -1.494 793 HG2 LYS 103 1HG LYS 103 13.893 3.671 -0.531 794 HG3 LYS 103 2HG LYS 103 14.912 2.601 0.449 795 HD2 LYS 103 1HD LYS 103 15.840 1.545 -1.558 796 HD3 LYS 103 2HD LYS 103 14.765 2.490 -2.596 797 HE2 LYS 103 1HE LYS 103 16.995 3.590 -0.826 798 HE3 LYS 103 2HE LYS 103 17.018 3.461 -2.588 799 HZ1 LYS 103 3HZ LYS 103 16.397 5.688 -2.056 800 HZ2 LYS 103 1HZ LYS 103 15.322 5.205 -0.934 801 HZ3 LYS 103 2HZ LYS 103 15.014 4.963 -2.547 802 H VAL 104 H VAL 104 12.123 -0.374 1.665 803 HA VAL 104 HA VAL 104 10.161 -1.690 0.089 804 HB VAL 104 HB VAL 104 11.348 -2.251 2.827 805 HG11 VAL 104 1HG1 VAL 104 9.132 -3.394 2.731 806 HG12 VAL 104 2HG1 VAL 104 9.556 -4.093 1.162 807 HG13 VAL 104 3HG1 VAL 104 10.445 -4.563 2.624 808 HG21 VAL 104 3HG2 VAL 104 11.764 -3.598 0.129 809 HG22 VAL 104 1HG2 VAL 104 12.857 -2.391 0.819 810 HG23 VAL 104 2HG2 VAL 104 12.632 -3.932 1.637 811 H ASP 105 H ASP 105 9.860 0.205 3.143 812 HA ASP 105 HA ASP 105 7.120 -0.274 3.640 813 HB2 ASP 105 1HB ASP 105 8.453 0.875 5.295 814 HB3 ASP 105 2HB ASP 105 8.960 2.076 4.099 815 H VAL 106 H VAL 106 8.553 2.540 2.007 816 HA VAL 106 HA VAL 106 6.243 3.697 1.014 817 HB VAL 106 HB VAL 106 9.140 3.669 0.122 818 HG11 VAL 106 1HG1 VAL 106 7.023 5.435 -1.158 819 HG12 VAL 106 2HG1 VAL 106 8.771 5.586 -1.332 820 HG13 VAL 106 3HG1 VAL 106 7.947 4.155 -1.960 821 HG21 VAL 106 3HG2 VAL 106 7.331 5.803 1.311 822 HG22 VAL 106 1HG2 VAL 106 8.465 4.797 2.247 823 HG23 VAL 106 2HG2 VAL 106 9.077 5.945 1.036 824 H PHE 107 H PHE 107 8.156 1.083 -0.369 825 HA PHE 107 HA PHE 107 6.781 1.004 -2.912 826 HB2 PHE 107 1HB PHE 107 9.038 0.074 -2.400 827 HB3 PHE 107 2HB PHE 107 8.291 -1.219 -1.485 828 HD1 PHE 107 1HD PHE 107 6.800 -2.933 -2.692 829 HD2 PHE 107 2HD PHE 107 9.251 -0.061 -4.781 830 HE1 PHE 107 1HE PHE 107 6.662 -4.301 -4.755 831 HE2 PHE 107 2HE PHE 107 9.131 -1.455 -6.829 832 HZ PHE 107 HZ PHE 107 7.830 -3.567 -6.823 833 H TYR 108 H TYR 108 6.295 -0.762 0.192 834 HA TYR 108 HA TYR 108 4.195 -2.469 -0.871 835 HB2 TYR 108 1HB TYR 108 5.292 -1.844 1.882 836 HB3 TYR 108 2HB TYR 108 3.738 -2.637 1.716 837 HD1 TYR 108 1HD TYR 108 6.936 -3.122 -0.278 838 HD2 TYR 108 2HD TYR 108 4.000 -4.873 2.361 839 HE1 TYR 108 1HE TYR 108 7.902 -5.353 -0.687 840 HE2 TYR 108 2HE TYR 108 5.002 -7.095 1.992 841 HH TYR 108 HH TYR 108 6.579 -8.315 0.795 842 H ASN 109 H ASN 109 4.375 0.720 0.634 843 HA ASN 109 HA ASN 109 1.494 1.004 0.989 844 HB2 ASN 109 1HB ASN 109 3.723 3.097 0.911 845 HB3 ASN 109 2HB ASN 109 2.050 3.420 1.356 846 HD21 ASN 109 1HD2 ASN 109 4.724 3.568 2.991 847 HD22 ASN 109 2HD2 ASN 109 4.539 2.445 4.274 848 H SER 110 H SER 110 3.883 2.308 -1.333 849 HA SER 110 HA SER 110 1.807 2.815 -3.393 850 HB2 SER 110 1HB SER 110 4.240 4.465 -2.547 851 HB3 SER 110 2HB SER 110 3.138 4.844 -3.892 852 HG SER 110 HG SER 110 2.681 5.917 -1.830 853 H GLY 111 H GLY 111 2.226 1.030 -4.659 854 HA2 GLY 111 1HA GLY 111 4.803 -0.050 -5.234 855 HA3 GLY 111 2HA GLY 111 3.295 -0.363 -6.113 856 HA PRO 112 HA PRO 112 6.387 2.037 -8.728 857 HB2 PRO 112 1HB PRO 112 6.616 0.253 -10.810 858 HB3 PRO 112 2HB PRO 112 7.613 0.206 -9.327 859 HG2 PRO 112 1HG PRO 112 5.130 -1.386 -9.949 860 HG3 PRO 112 2HG PRO 112 6.692 -1.981 -9.297 861 HD2 PRO 112 1HD PRO 112 4.594 -1.446 -7.648 862 HD3 PRO 112 2HD PRO 112 6.266 -1.041 -7.163 863 H SER 113 H SER 113 3.214 0.680 -9.275 864 HA SER 113 HA SER 113 1.546 1.080 -10.690 865 HB2 SER 113 1HB SER 113 1.781 3.086 -9.071 866 HB3 SER 113 2HB SER 113 2.232 4.013 -10.504 867 HG SER 113 HG SER 113 -0.153 2.499 -10.050 868 H SER 114 H SER 114 2.354 -0.000 -12.582 869 HA SER 114 HA SER 114 3.862 1.460 -14.594 870 HB2 SER 114 1HB SER 114 3.420 -0.643 -15.897 871 HB3 SER 114 2HB SER 114 4.208 -0.908 -14.329 872 HG SER 114 HG SER 114 1.417 -1.055 -14.785 873 H GLY 115 H GLY 115 2.470 3.373 -14.923 874 HA2 GLY 115 1HA GLY 115 0.645 3.148 -17.077 875 HA3 GLY 115 2HA GLY 115 -0.235 3.414 -15.533 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -50.486 83.425 10.645 2 HA2 GLY 1 1HA GLY 1 -49.779 80.589 11.201 3 HA3 GLY 1 2HA GLY 1 -48.863 81.976 11.847 4 H SER 2 H SER 2 -50.194 79.967 13.538 5 HA SER 2 HA SER 2 -51.926 81.711 15.083 6 HB2 SER 2 1HB SER 2 -52.760 78.903 14.207 7 HB3 SER 2 2HB SER 2 -53.701 80.032 15.195 8 HG SER 2 HG SER 2 -53.896 81.374 13.384 9 H SER 3 H SER 3 -52.360 80.403 17.236 10 HA SER 3 HA SER 3 -50.092 78.633 17.912 11 HB2 SER 3 1HB SER 3 -51.176 80.899 19.638 12 HB3 SER 3 2HB SER 3 -49.784 79.854 19.979 13 HG SER 3 HG SER 3 -49.067 81.823 19.165 14 H GLY 4 H GLY 4 -50.661 77.498 20.121 15 HA2 GLY 4 1HA GLY 4 -53.318 77.330 21.036 16 HA3 GLY 4 2HA GLY 4 -52.979 76.011 19.887 17 H SER 5 H SER 5 -53.378 74.958 22.258 18 HA SER 5 HA SER 5 -50.736 74.168 23.212 19 HB2 SER 5 1HB SER 5 -51.492 74.600 25.608 20 HB3 SER 5 2HB SER 5 -51.121 76.038 24.655 21 HG SER 5 HG SER 5 -53.711 75.020 25.251 22 H SER 6 H SER 6 -51.182 72.466 25.039 23 HA SER 6 HA SER 6 -53.533 70.785 24.423 24 HB2 SER 6 1HB SER 6 -51.510 70.017 23.116 25 HB3 SER 6 2HB SER 6 -50.651 69.792 24.648 26 HG SER 6 HG SER 6 -52.896 68.419 23.618 27 H GLY 7 H GLY 7 -51.739 69.039 26.513 28 HA2 GLY 7 1HA GLY 7 -52.348 70.675 28.929 29 HA3 GLY 7 2HA GLY 7 -52.962 69.015 28.776 30 H LYS 8 H LYS 8 -51.332 69.556 30.877 31 HA LYS 8 HA LYS 8 -48.542 68.927 30.227 32 HB2 LYS 8 1HB LYS 8 -48.219 69.017 32.698 33 HB3 LYS 8 2HB LYS 8 -48.827 70.495 31.962 34 HG2 LYS 8 1HG LYS 8 -51.094 70.065 32.806 35 HG3 LYS 8 2HG LYS 8 -50.607 68.481 33.408 36 HD2 LYS 8 1HD LYS 8 -50.724 69.989 35.259 37 HD3 LYS 8 2HD LYS 8 -49.024 69.569 34.991 38 HE2 LYS 8 1HE LYS 8 -48.669 71.725 33.815 39 HE3 LYS 8 2HE LYS 8 -50.385 72.123 33.994 40 HZ1 LYS 8 3HZ LYS 8 -48.473 71.784 36.226 41 HZ2 LYS 8 1HZ LYS 8 -50.068 72.160 36.386 42 HZ3 LYS 8 2HZ LYS 8 -49.044 73.215 35.660 43 H TRP 9 H TRP 9 -49.761 66.943 29.069 44 HA TRP 9 HA TRP 9 -49.946 64.640 30.932 45 HB2 TRP 9 1HB TRP 9 -50.885 63.437 29.030 46 HB3 TRP 9 2HB TRP 9 -51.800 64.878 29.408 47 HD1 TRP 9 HD TRP 9 -51.852 66.827 27.602 48 HE1 TRP 9 1HE TRP 9 -51.401 66.888 25.086 49 HE3 TRP 9 3HE TRP 9 -49.428 62.352 27.130 50 HZ2 TRP 9 2HZ TRP 9 -50.194 65.166 23.097 51 HZ3 TRP 9 3HZ TRP 9 -48.687 61.559 24.894 52 HH2 TRP 9 HH TRP 9 -49.065 62.959 22.880 53 H GLY 10 H GLY 10 -48.903 62.525 29.723 54 HA2 GLY 10 1HA GLY 10 -46.714 62.677 28.094 55 HA3 GLY 10 2HA GLY 10 -46.083 63.022 29.718 56 H LEU 11 H LEU 11 -45.040 60.865 28.824 57 HA LEU 11 HA LEU 11 -46.583 58.446 29.171 58 HB2 LEU 11 1HB LEU 11 -44.194 59.168 27.885 59 HB3 LEU 11 2HB LEU 11 -43.612 58.192 29.214 60 HG LEU 11 HG LEU 11 -45.718 57.390 27.152 61 HD11 LEU 11 1HD1 LEU 11 -42.814 56.508 27.470 62 HD12 LEU 11 2HD1 LEU 11 -43.440 57.601 26.218 63 HD13 LEU 11 3HD1 LEU 11 -43.957 55.912 26.250 64 HD21 LEU 11 3HD2 LEU 11 -46.120 56.124 29.239 65 HD22 LEU 11 1HD2 LEU 11 -44.394 55.625 29.266 66 HD23 LEU 11 2HD2 LEU 11 -45.476 55.083 27.982 67 H ARG 12 H ARG 12 -44.799 56.799 30.593 68 HA ARG 12 HA ARG 12 -44.668 57.894 33.322 69 HB2 ARG 12 1HB ARG 12 -46.748 56.217 32.653 70 HB3 ARG 12 2HB ARG 12 -45.489 55.019 32.916 71 HG2 ARG 12 1HG ARG 12 -46.477 55.145 35.008 72 HG3 ARG 12 2HG ARG 12 -45.125 56.246 35.224 73 HD2 ARG 12 1HD ARG 12 -48.054 56.920 34.714 74 HD3 ARG 12 2HD ARG 12 -47.130 57.231 36.180 75 HE ARG 12 HE ARG 12 -46.876 58.624 33.551 76 HH11 ARG 12 1HH1 ARG 12 -46.240 58.746 37.035 77 HH12 ARG 12 2HH1 ARG 12 -45.390 60.249 36.973 78 HH21 ARG 12 1HH2 ARG 12 -45.737 60.488 33.418 79 HH22 ARG 12 2HH2 ARG 12 -45.139 61.341 34.808 80 H LEU 13 H LEU 13 -43.189 56.583 34.681 81 HA LEU 13 HA LEU 13 -40.870 55.649 33.087 82 HB2 LEU 13 1HB LEU 13 -41.083 56.658 35.973 83 HB3 LEU 13 2HB LEU 13 -39.635 56.029 35.217 84 HG LEU 13 HG LEU 13 -39.418 58.362 35.305 85 HD11 LEU 13 1HD1 LEU 13 -38.616 57.291 33.215 86 HD12 LEU 13 2HD1 LEU 13 -39.043 58.993 32.995 87 HD13 LEU 13 3HD1 LEU 13 -40.140 57.727 32.413 88 HD21 LEU 13 3HD2 LEU 13 -40.895 60.017 34.464 89 HD22 LEU 13 1HD2 LEU 13 -41.852 58.946 35.503 90 HD23 LEU 13 2HD2 LEU 13 -41.967 58.826 33.723 91 H GLN 14 H GLN 14 -39.941 53.633 33.735 92 HA GLN 14 HA GLN 14 -40.993 51.995 35.801 93 HB2 GLN 14 1HB GLN 14 -41.968 50.272 34.376 94 HB3 GLN 14 2HB GLN 14 -42.856 51.767 34.168 95 HG2 GLN 14 1HG GLN 14 -40.784 50.652 32.217 96 HG3 GLN 14 2HG GLN 14 -42.528 50.529 32.046 97 HE21 GLN 14 1HE2 GLN 14 -43.707 52.849 32.174 98 HE22 GLN 14 2HE2 GLN 14 -42.825 54.119 31.299 99 H GLU 15 H GLU 15 -39.999 49.584 35.002 100 HA GLU 15 HA GLU 15 -37.420 49.941 33.717 101 HB2 GLU 15 1HB GLU 15 -37.723 49.777 36.624 102 HB3 GLU 15 2HB GLU 15 -36.919 48.332 36.039 103 HG2 GLU 15 1HG GLU 15 -36.084 51.230 35.512 104 HG3 GLU 15 2HG GLU 15 -35.269 50.080 36.559 105 H LYS 16 H LYS 16 -36.437 47.462 33.776 106 HA LYS 16 HA LYS 16 -38.707 45.773 32.925 107 HB2 LYS 16 1HB LYS 16 -37.895 45.257 30.968 108 HB3 LYS 16 2HB LYS 16 -37.514 46.912 31.090 109 HG2 LYS 16 1HG LYS 16 -35.235 45.192 32.001 110 HG3 LYS 16 2HG LYS 16 -35.812 44.764 30.390 111 HD2 LYS 16 1HD LYS 16 -34.213 46.436 29.998 112 HD3 LYS 16 2HD LYS 16 -35.813 47.240 29.870 113 HE2 LYS 16 1HE LYS 16 -35.603 47.881 32.272 114 HE3 LYS 16 2HE LYS 16 -33.990 47.224 32.339 115 HZ1 LYS 16 3HZ LYS 16 -34.858 49.541 30.726 116 HZ2 LYS 16 1HZ LYS 16 -33.270 49.006 30.922 117 HZ3 LYS 16 2HZ LYS 16 -34.148 49.589 32.174 118 HA PRO 17 HA PRO 17 -36.879 42.642 35.427 119 HB2 PRO 17 1HB PRO 17 -37.648 40.299 34.305 120 HB3 PRO 17 2HB PRO 17 -38.872 41.505 34.824 121 HG2 PRO 17 1HG PRO 17 -37.744 41.067 32.032 122 HG3 PRO 17 2HG PRO 17 -39.468 41.189 32.521 123 HD2 PRO 17 1HD PRO 17 -37.939 43.324 31.583 124 HD3 PRO 17 2HD PRO 17 -39.334 43.525 32.705 125 H ALA 18 H ALA 18 -35.458 40.623 35.405 126 HA ALA 18 HA ALA 18 -33.034 41.163 33.899 127 HB1 ALA 18 1HB ALA 18 -32.983 40.352 36.256 128 HB2 ALA 18 2HB ALA 18 -33.790 38.845 35.750 129 HB3 ALA 18 3HB ALA 18 -32.156 39.219 35.172 130 H LEU 19 H LEU 19 -31.956 39.227 32.740 131 HA LEU 19 HA LEU 19 -33.951 37.893 30.971 132 HB2 LEU 19 1HB LEU 19 -31.117 38.905 30.513 133 HB3 LEU 19 2HB LEU 19 -31.815 37.681 29.483 134 HG LEU 19 HG LEU 19 -31.979 39.816 28.433 135 HD11 LEU 19 1HD1 LEU 19 -33.781 38.146 28.029 136 HD12 LEU 19 2HD1 LEU 19 -34.299 39.820 27.780 137 HD13 LEU 19 3HD1 LEU 19 -34.786 38.968 29.251 138 HD21 LEU 19 3HD2 LEU 19 -32.108 41.261 30.470 139 HD22 LEU 19 1HD2 LEU 19 -33.822 40.814 30.634 140 HD23 LEU 19 2HD2 LEU 19 -33.269 41.684 29.201 141 H LEU 20 H LEU 20 -33.310 35.790 30.142 142 HA LEU 20 HA LEU 20 -32.548 34.013 32.287 143 HB2 LEU 20 1HB LEU 20 -33.132 33.402 29.347 144 HB3 LEU 20 2HB LEU 20 -33.019 32.244 30.661 145 HG LEU 20 HG LEU 20 -34.922 33.955 31.681 146 HD11 LEU 20 1HD1 LEU 20 -36.585 34.389 29.924 147 HD12 LEU 20 2HD1 LEU 20 -35.464 33.785 28.685 148 HD13 LEU 20 3HD1 LEU 20 -35.093 35.268 29.589 149 HD21 LEU 20 3HD2 LEU 20 -36.572 32.221 31.079 150 HD22 LEU 20 1HD2 LEU 20 -35.061 31.497 31.645 151 HD23 LEU 20 2HD2 LEU 20 -35.428 31.527 29.905 152 H PHE 21 H PHE 21 -31.002 32.136 31.685 153 HA PHE 21 HA PHE 21 -28.481 33.210 30.566 154 HB2 PHE 21 1HB PHE 21 -27.505 31.486 32.237 155 HB3 PHE 21 2HB PHE 21 -28.170 32.980 32.867 156 HD1 PHE 21 2HD PHE 21 -28.918 29.333 32.377 157 HD2 PHE 21 1HD PHE 21 -29.984 32.978 34.432 158 HE1 PHE 21 2HE PHE 21 -30.431 28.060 33.861 159 HE2 PHE 21 1HE PHE 21 -31.498 31.694 35.914 160 HZ PHE 21 HZ PHE 21 -31.729 29.232 35.634 161 HA PRO 22 HA PRO 22 -28.563 29.792 27.744 162 HB2 PRO 22 1HB PRO 22 -25.931 29.302 27.215 163 HB3 PRO 22 2HB PRO 22 -26.701 30.863 26.799 164 HG2 PRO 22 1HG PRO 22 -25.079 30.198 29.283 165 HG3 PRO 22 2HG PRO 22 -24.855 31.579 28.159 166 HD2 PRO 22 1HD PRO 22 -26.275 31.807 30.472 167 HD3 PRO 22 2HD PRO 22 -26.762 32.687 28.995 168 H GLY 23 H GLY 23 -27.452 27.483 27.391 169 HA2 GLY 23 1HA GLY 23 -26.893 26.108 29.957 170 HA3 GLY 23 2HA GLY 23 -28.293 25.584 29.019 171 H MET 24 H MET 24 -27.841 24.850 26.720 172 HA MET 24 HA MET 24 -25.608 23.042 26.726 173 HB2 MET 24 1HB MET 24 -26.326 22.419 24.483 174 HB3 MET 24 2HB MET 24 -27.697 22.477 25.590 175 HG2 MET 24 1HG MET 24 -28.337 24.695 24.688 176 HG3 MET 24 2HG MET 24 -26.978 24.647 23.567 177 HE1 MET 24 3HE MET 24 -26.883 23.338 21.368 178 HE2 MET 24 1HE MET 24 -26.861 21.806 22.278 179 HE3 MET 24 2HE MET 24 -27.989 22.020 20.926 180 H ALA 25 H ALA 25 -23.702 23.036 25.435 181 HA ALA 25 HA ALA 25 -22.994 25.309 23.766 182 HB1 ALA 25 1HB ALA 25 -21.561 24.781 26.416 183 HB2 ALA 25 2HB ALA 25 -20.990 25.864 25.129 184 HB3 ALA 25 3HB ALA 25 -22.495 26.233 25.993 185 H ALA 26 H ALA 26 -23.131 23.305 22.389 186 HA ALA 26 HA ALA 26 -21.135 21.202 22.860 187 HB1 ALA 26 1HB ALA 26 -23.306 20.672 21.827 188 HB2 ALA 26 2HB ALA 26 -22.886 21.714 20.433 189 HB3 ALA 26 3HB ALA 26 -21.910 20.266 20.793 190 H SER 27 H SER 27 -19.318 20.850 21.437 191 HA SER 27 HA SER 27 -18.335 23.287 20.025 192 HB2 SER 27 1HB SER 27 -17.385 22.719 22.270 193 HB3 SER 27 2HB SER 27 -16.855 21.164 21.612 194 HG SER 27 HG SER 27 -15.118 22.229 21.084 195 H THR 28 H THR 28 -16.216 22.455 18.834 196 HA THR 28 HA THR 28 -17.095 21.025 16.513 197 HB THR 28 HB THR 28 -14.205 21.708 17.164 198 HG1 THR 28 1HG THR 28 -14.824 23.662 17.532 199 HG21 THR 28 3HG2 THR 28 -15.935 21.727 14.651 200 HG22 THR 28 1HG2 THR 28 -14.494 20.730 14.974 201 HG23 THR 28 2HG2 THR 28 -14.331 22.462 14.717 202 H VAL 29 H VAL 29 -15.638 19.154 15.602 203 HA VAL 29 HA VAL 29 -15.745 16.964 17.450 204 HB VAL 29 HB VAL 29 -14.583 15.719 15.567 205 HG11 VAL 29 1HG1 VAL 29 -16.994 15.638 15.991 206 HG12 VAL 29 2HG1 VAL 29 -17.235 17.125 15.055 207 HG13 VAL 29 3HG1 VAL 29 -16.666 15.638 14.254 208 HG21 VAL 29 3HG2 VAL 29 -15.194 18.260 13.971 209 HG22 VAL 29 1HG2 VAL 29 -13.564 17.663 14.383 210 HG23 VAL 29 2HG2 VAL 29 -14.642 16.699 13.356 211 H GLN 30 H GLN 30 -14.087 15.817 18.419 212 HA GLN 30 HA GLN 30 -11.850 17.401 19.269 213 HB2 GLN 30 1HB GLN 30 -12.606 14.484 19.786 214 HB3 GLN 30 2HB GLN 30 -11.384 15.387 20.685 215 HG2 GLN 30 1HG GLN 30 -14.365 16.039 20.613 216 HG3 GLN 30 2HG GLN 30 -13.487 15.298 21.937 217 HE21 GLN 30 1HE2 GLN 30 -11.827 16.612 23.049 218 HE22 GLN 30 2HE2 GLN 30 -11.914 18.363 22.981 219 H VAL 31 H VAL 31 -9.728 16.184 19.599 220 HA VAL 31 HA VAL 31 -8.224 16.094 17.220 221 HB VAL 31 HB VAL 31 -7.677 14.878 19.949 222 HG11 VAL 31 1HG1 VAL 31 -5.742 15.904 17.861 223 HG12 VAL 31 2HG1 VAL 31 -5.282 15.561 19.539 224 HG13 VAL 31 3HG1 VAL 31 -5.882 14.268 18.521 225 HG21 VAL 31 3HG2 VAL 31 -6.659 17.091 20.616 226 HG22 VAL 31 1HG2 VAL 31 -7.223 17.791 19.086 227 HG23 VAL 31 2HG2 VAL 31 -8.381 17.255 20.322 228 H ALA 32 H ALA 32 -7.169 14.218 16.203 229 HA ALA 32 HA ALA 32 -8.787 11.816 16.491 230 HB1 ALA 32 1HB ALA 32 -6.538 12.511 14.535 231 HB2 ALA 32 2HB ALA 32 -7.558 11.058 14.448 232 HB3 ALA 32 3HB ALA 32 -8.286 12.661 14.222 233 H GLY 33 H GLY 33 -7.910 9.712 16.771 234 HA2 GLY 33 1HA GLY 33 -5.959 9.518 18.880 235 HA3 GLY 33 2HA GLY 33 -6.792 8.178 18.076 236 H ARG 34 H ARG 34 -5.906 7.390 15.964 237 HA ARG 34 HA ARG 34 -3.282 8.305 15.147 238 HB2 ARG 34 1HB ARG 34 -2.294 5.945 15.371 239 HB3 ARG 34 2HB ARG 34 -2.333 6.936 16.809 240 HG2 ARG 34 1HG ARG 34 -4.721 5.172 16.486 241 HG3 ARG 34 2HG ARG 34 -3.191 4.310 16.611 242 HD2 ARG 34 1HD ARG 34 -3.900 6.469 18.597 243 HD3 ARG 34 2HD ARG 34 -4.511 4.806 18.739 244 HE ARG 34 HE ARG 34 -1.787 4.502 18.338 245 HH11 ARG 34 1HH1 ARG 34 -3.531 6.455 20.734 246 HH12 ARG 34 2HH1 ARG 34 -2.611 5.879 22.077 247 HH21 ARG 34 1HH2 ARG 34 -0.621 3.655 20.086 248 HH22 ARG 34 2HH2 ARG 34 -0.625 4.516 21.583 249 H LYS 35 H LYS 35 -2.733 7.434 13.112 250 HA LYS 35 HA LYS 35 -4.513 5.563 11.702 251 HB2 LYS 35 1HB LYS 35 -4.268 8.515 10.975 252 HB3 LYS 35 2HB LYS 35 -4.678 7.301 9.779 253 HG2 LYS 35 1HG LYS 35 -6.781 7.472 10.269 254 HG3 LYS 35 2HG LYS 35 -6.478 6.717 11.820 255 HD2 LYS 35 1HD LYS 35 -6.069 9.001 12.804 256 HD3 LYS 35 2HD LYS 35 -6.415 9.719 11.229 257 HE2 LYS 35 1HE LYS 35 -8.375 8.086 12.901 258 HE3 LYS 35 2HE LYS 35 -8.344 9.850 12.776 259 HZ1 LYS 35 3HZ LYS 35 -9.992 8.988 11.339 260 HZ2 LYS 35 1HZ LYS 35 -8.961 7.961 10.592 261 HZ3 LYS 35 2HZ LYS 35 -8.807 9.594 10.382 262 H ASP 36 H ASP 36 -1.597 5.909 12.620 263 HA ASP 36 HA ASP 36 -0.403 5.226 9.979 264 HB2 ASP 36 1HB ASP 36 0.004 7.578 10.891 265 HB3 ASP 36 2HB ASP 36 1.077 6.846 12.057 266 H TYR 37 H TYR 37 -1.241 3.171 11.199 267 HA TYR 37 HA TYR 37 0.649 2.163 13.174 268 HB2 TYR 37 1HB TYR 37 -1.255 0.172 12.225 269 HB3 TYR 37 2HB TYR 37 -0.858 0.744 13.807 270 HD1 TYR 37 2HD TYR 37 -1.765 3.380 14.270 271 HD2 TYR 37 1HD TYR 37 -3.531 0.361 11.698 272 HE1 TYR 37 2HE TYR 37 -3.922 4.425 14.465 273 HE2 TYR 37 1HE TYR 37 -5.715 1.470 11.932 274 HH TYR 37 HH TYR 37 -5.986 4.647 13.579 275 HA PRO 38 HA PRO 38 1.891 -0.935 9.804 276 HB2 PRO 38 1HB PRO 38 1.051 -0.673 7.220 277 HB3 PRO 38 2HB PRO 38 0.136 -1.573 8.463 278 HG2 PRO 38 1HG PRO 38 -0.297 1.280 7.552 279 HG3 PRO 38 2HG PRO 38 -1.527 -0.011 7.741 280 HD2 PRO 38 1HD PRO 38 -1.117 1.828 9.697 281 HD3 PRO 38 2HD PRO 38 -1.433 0.119 10.076 282 H ALA 39 H ALA 39 3.900 0.057 10.079 283 HA ALA 39 HA ALA 39 4.976 1.599 7.863 284 HB1 ALA 39 1HB ALA 39 5.780 3.446 9.313 285 HB2 ALA 39 2HB ALA 39 4.007 3.388 9.344 286 HB3 ALA 39 3HB ALA 39 4.937 2.738 10.709 287 H LEU 40 H LEU 40 7.218 1.674 7.931 288 HA LEU 40 HA LEU 40 9.215 0.574 7.960 289 HB2 LEU 40 1HB LEU 40 8.882 1.127 10.915 290 HB3 LEU 40 2HB LEU 40 10.406 0.733 10.119 291 HG LEU 40 HG LEU 40 8.738 3.225 9.561 292 HD11 LEU 40 1HD1 LEU 40 9.806 3.215 11.788 293 HD12 LEU 40 2HD1 LEU 40 10.528 4.428 10.715 294 HD13 LEU 40 3HD1 LEU 40 11.388 2.901 11.037 295 HD21 LEU 40 3HD2 LEU 40 9.986 2.607 7.551 296 HD22 LEU 40 1HD2 LEU 40 11.479 2.373 8.500 297 HD23 LEU 40 2HD2 LEU 40 10.761 3.989 8.306 298 H LEU 41 H LEU 41 7.443 -1.219 7.585 299 HA LEU 41 HA LEU 41 7.195 -3.318 9.435 300 HB2 LEU 41 1HB LEU 41 6.372 -4.690 7.600 301 HB3 LEU 41 2HB LEU 41 5.742 -3.058 7.570 302 HG LEU 41 HG LEU 41 7.552 -2.566 5.754 303 HD11 LEU 41 1HD1 LEU 41 7.411 -5.629 5.613 304 HD12 LEU 41 2HD1 LEU 41 8.868 -4.678 5.959 305 HD13 LEU 41 3HD1 LEU 41 8.108 -4.576 4.374 306 HD21 LEU 41 3HD2 LEU 41 5.157 -2.645 5.324 307 HD22 LEU 41 1HD2 LEU 41 5.204 -4.426 5.233 308 HD23 LEU 41 2HD2 LEU 41 6.060 -3.444 4.036 309 HA PRO 42 HA PRO 42 11.097 -5.325 9.582 310 HB2 PRO 42 1HB PRO 42 10.476 -7.843 10.410 311 HB3 PRO 42 2HB PRO 42 10.234 -6.402 11.439 312 HG2 PRO 42 1HG PRO 42 8.174 -7.835 9.733 313 HG3 PRO 42 2HG PRO 42 8.026 -7.320 11.442 314 HD2 PRO 42 1HD PRO 42 7.061 -5.839 9.358 315 HD3 PRO 42 2HD PRO 42 7.721 -5.072 10.828 316 H LEU 43 H LEU 43 12.443 -6.115 8.066 317 HA LEU 43 HA LEU 43 11.364 -7.756 5.800 318 HB2 LEU 43 1HB LEU 43 13.858 -6.003 6.119 319 HB3 LEU 43 2HB LEU 43 13.521 -7.037 4.715 320 HG LEU 43 HG LEU 43 11.994 -4.600 5.657 321 HD11 LEU 43 1HD1 LEU 43 13.697 -5.264 3.212 322 HD12 LEU 43 2HD1 LEU 43 14.063 -4.103 4.510 323 HD13 LEU 43 3HD1 LEU 43 12.725 -3.800 3.364 324 HD21 LEU 43 3HD2 LEU 43 10.558 -4.853 3.651 325 HD22 LEU 43 1HD2 LEU 43 10.290 -6.081 4.873 326 HD23 LEU 43 2HD2 LEU 43 11.202 -6.501 3.439 327 H ASN 44 H ASN 44 12.101 -9.768 5.437 328 HA ASN 44 HA ASN 44 13.629 -11.023 7.563 329 HB2 ASN 44 1HB ASN 44 11.876 -12.266 6.395 330 HB3 ASN 44 2HB ASN 44 12.737 -12.093 4.868 331 HD21 ASN 44 1HD2 ASN 44 12.628 -14.590 4.955 332 HD22 ASN 44 2HD2 ASN 44 13.941 -15.393 5.771 333 H GLU 45 H GLU 45 15.764 -10.519 7.730 334 HA GLU 45 HA GLU 45 17.348 -9.664 5.548 335 HB2 GLU 45 1HB GLU 45 19.260 -9.873 6.989 336 HB3 GLU 45 2HB GLU 45 17.906 -9.126 7.834 337 HG2 GLU 45 1HG GLU 45 17.457 -11.354 8.940 338 HG3 GLU 45 2HG GLU 45 18.925 -11.974 8.160 339 H SER 46 H SER 46 16.492 -12.926 6.505 340 HA SER 46 HA SER 46 18.583 -14.205 4.943 341 HB2 SER 46 1HB SER 46 16.074 -15.311 6.257 342 HB3 SER 46 2HB SER 46 17.443 -16.254 5.659 343 HG SER 46 HG SER 46 18.614 -15.711 7.278 344 H GLU 47 H GLU 47 16.073 -12.450 3.823 345 HA GLU 47 HA GLU 47 15.372 -14.325 1.594 346 HB2 GLU 47 1HB GLU 47 13.558 -13.613 3.221 347 HB3 GLU 47 2HB GLU 47 13.843 -11.960 2.709 348 HG2 GLU 47 1HG GLU 47 13.305 -13.215 0.284 349 HG3 GLU 47 2HG GLU 47 12.379 -14.195 1.408 350 H LEU 48 H LEU 48 17.345 -11.720 2.430 351 HA LEU 48 HA LEU 48 16.999 -10.381 -0.217 352 HB2 LEU 48 1HB LEU 48 18.793 -9.249 1.861 353 HB3 LEU 48 2HB LEU 48 17.868 -8.460 0.595 354 HG LEU 48 HG LEU 48 16.965 -9.384 3.338 355 HD11 LEU 48 1HD1 LEU 48 18.189 -7.186 3.003 356 HD12 LEU 48 2HD1 LEU 48 16.557 -7.028 3.703 357 HD13 LEU 48 3HD1 LEU 48 16.847 -6.658 1.993 358 HD21 LEU 48 3HD2 LEU 48 14.725 -8.319 2.734 359 HD22 LEU 48 1HD2 LEU 48 15.017 -9.890 2.029 360 HD23 LEU 48 2HD2 LEU 48 15.233 -8.452 1.027 361 H GLU 49 H GLU 49 18.654 -10.448 -1.673 362 HA GLU 49 HA GLU 49 20.974 -12.200 -1.070 363 HB2 GLU 49 1HB GLU 49 20.047 -11.170 -3.777 364 HB3 GLU 49 2HB GLU 49 21.135 -12.502 -3.452 365 HG2 GLU 49 1HG GLU 49 19.333 -13.909 -2.663 366 HG3 GLU 49 2HG GLU 49 18.183 -12.566 -2.657 367 H GLU 50 H GLU 50 23.001 -11.368 -1.096 368 HA GLU 50 HA GLU 50 23.340 -8.478 -1.542 369 HB2 GLU 50 1HB GLU 50 25.268 -8.716 -0.029 370 HB3 GLU 50 2HB GLU 50 23.753 -9.157 0.720 371 HG2 GLU 50 1HG GLU 50 25.601 -11.291 -0.428 372 HG3 GLU 50 2HG GLU 50 25.882 -10.587 1.159 373 H GLN 51 H GLN 51 25.560 -7.809 -2.236 374 HA GLN 51 HA GLN 51 26.927 -9.574 -4.179 375 HB2 GLN 51 1HB GLN 51 25.939 -6.760 -4.814 376 HB3 GLN 51 2HB GLN 51 26.928 -7.772 -5.869 377 HG2 GLN 51 1HG GLN 51 25.072 -9.410 -6.031 378 HG3 GLN 51 2HG GLN 51 24.064 -8.357 -5.024 379 HE21 GLN 51 1HE2 GLN 51 22.951 -8.907 -7.245 380 HE22 GLN 51 2HE2 GLN 51 23.017 -7.680 -8.497 381 H PHE 52 H PHE 52 29.025 -8.283 -4.997 382 HA PHE 52 HA PHE 52 30.098 -6.503 -2.867 383 HB2 PHE 52 1HB PHE 52 31.555 -8.825 -4.199 384 HB3 PHE 52 2HB PHE 52 32.227 -7.716 -3.019 385 HD1 PHE 52 2HD PHE 52 31.569 -7.853 -0.610 386 HD2 PHE 52 1HD PHE 52 30.193 -10.738 -3.515 387 HE1 PHE 52 2HE PHE 52 31.009 -9.442 1.215 388 HE2 PHE 52 1HE PHE 52 29.633 -12.306 -1.685 389 HZ PHE 52 HZ PHE 52 30.053 -11.676 0.677 390 H VAL 53 H VAL 53 31.920 -5.135 -3.683 391 HA VAL 53 HA VAL 53 32.153 -5.035 -6.635 392 HB VAL 53 HB VAL 53 31.870 -2.592 -4.897 393 HG11 VAL 53 1HG1 VAL 53 31.549 -1.482 -7.116 394 HG12 VAL 53 2HG1 VAL 53 33.137 -2.211 -6.913 395 HG13 VAL 53 3HG1 VAL 53 31.896 -3.031 -7.904 396 HG21 VAL 53 3HG2 VAL 53 29.666 -3.665 -4.890 397 HG22 VAL 53 1HG2 VAL 53 29.620 -2.252 -5.946 398 HG23 VAL 53 2HG2 VAL 53 29.731 -3.882 -6.654 399 H LYS 54 H LYS 54 34.116 -5.645 -6.836 400 HA LYS 54 HA LYS 54 36.255 -4.977 -4.919 401 HB2 LYS 54 1HB LYS 54 35.880 -7.227 -6.407 402 HB3 LYS 54 2HB LYS 54 36.935 -6.308 -7.495 403 HG2 LYS 54 1HG LYS 54 38.301 -5.935 -5.151 404 HG3 LYS 54 2HG LYS 54 37.438 -7.390 -4.708 405 HD2 LYS 54 1HD LYS 54 39.627 -7.972 -5.502 406 HD3 LYS 54 2HD LYS 54 38.435 -8.571 -6.651 407 HE2 LYS 54 1HE LYS 54 40.452 -7.612 -7.743 408 HE3 LYS 54 2HE LYS 54 38.958 -6.812 -8.232 409 HZ1 LYS 54 3HZ LYS 54 39.479 -4.974 -6.799 410 HZ2 LYS 54 1HZ LYS 54 40.763 -5.249 -7.772 411 HZ3 LYS 54 2HZ LYS 54 40.822 -5.730 -6.202 412 H GLY 55 H GLY 55 34.996 -3.121 -7.338 413 HA2 GLY 55 1HA GLY 55 35.818 -1.351 -8.553 414 HA3 GLY 55 2HA GLY 55 37.238 -1.435 -7.483 415 H HIS 56 H HIS 56 36.089 -3.931 -9.818 416 HA HIS 56 HA HIS 56 38.615 -3.591 -11.349 417 HB2 HIS 56 1HB HIS 56 38.787 -5.537 -9.887 418 HB3 HIS 56 2HB HIS 56 37.239 -6.157 -10.467 419 HD1 HIS 56 1HD HIS 56 40.529 -5.132 -12.440 420 HD2 HIS 56 2HD HIS 56 37.583 -8.154 -12.048 421 HE1 HIS 56 1HE HIS 56 41.045 -6.895 -14.168 422 H GLY 57 H GLY 57 38.443 -4.520 -13.546 423 HA2 GLY 57 1HA GLY 57 36.140 -5.101 -14.966 424 HA3 GLY 57 2HA GLY 57 36.508 -3.360 -15.142 425 HA PRO 58 HA PRO 58 39.523 -6.109 -17.624 426 HB2 PRO 58 1HB PRO 58 38.744 -5.615 -20.210 427 HB3 PRO 58 2HB PRO 58 38.031 -6.901 -19.189 428 HG2 PRO 58 1HG PRO 58 36.956 -4.102 -19.673 429 HG3 PRO 58 2HG PRO 58 36.072 -5.659 -19.785 430 HD2 PRO 58 1HD PRO 58 35.963 -4.112 -17.546 431 HD3 PRO 58 2HD PRO 58 36.015 -5.897 -17.427 432 H GLY 59 H GLY 59 38.461 -2.729 -17.890 433 HA2 GLY 59 1HA GLY 59 40.509 -1.234 -17.561 434 HA3 GLY 59 2HA GLY 59 41.048 -1.937 -19.104 435 H GLY 60 H GLY 60 40.911 0.205 -20.053 436 HA2 GLY 60 1HA GLY 60 39.690 1.281 -21.776 437 HA3 GLY 60 2HA GLY 60 38.168 0.894 -20.961 438 H GLN 61 H GLN 61 37.497 3.029 -20.963 439 HA GLN 61 HA GLN 61 38.966 5.292 -20.105 440 HB2 GLN 61 1HB GLN 61 36.876 6.440 -20.175 441 HB3 GLN 61 2HB GLN 61 36.854 5.275 -21.488 442 HG2 GLN 61 1HG GLN 61 35.390 5.032 -18.810 443 HG3 GLN 61 2HG GLN 61 34.683 5.412 -20.369 444 HE21 GLN 61 1HE2 GLN 61 36.119 2.770 -18.428 445 HE22 GLN 61 2HE2 GLN 61 35.455 1.493 -19.446 446 H ALA 62 H ALA 62 38.550 6.622 -18.189 447 HA ALA 62 HA ALA 62 39.045 5.342 -15.774 448 HB1 ALA 62 1HB ALA 62 37.754 8.072 -16.234 449 HB2 ALA 62 2HB ALA 62 38.502 7.527 -14.722 450 HB3 ALA 62 3HB ALA 62 39.501 7.734 -16.173 451 H THR 63 H THR 63 37.824 4.642 -14.064 452 HA THR 63 HA THR 63 34.933 4.232 -14.532 453 HB THR 63 HB THR 63 36.380 2.274 -14.276 454 HG1 THR 63 1HG THR 63 35.148 1.231 -12.863 455 HG21 THR 63 3HG2 THR 63 36.973 3.267 -11.452 456 HG22 THR 63 1HG2 THR 63 38.146 3.141 -12.777 457 HG23 THR 63 2HG2 THR 63 37.409 1.683 -12.114 458 H ASN 64 H ASN 64 33.701 4.087 -12.445 459 HA ASN 64 HA ASN 64 34.337 6.159 -10.424 460 HB2 ASN 64 1HB ASN 64 32.246 7.168 -10.518 461 HB3 ASN 64 2HB ASN 64 32.774 7.118 -12.198 462 HD21 ASN 64 1HD2 ASN 64 30.042 7.427 -11.249 463 HD22 ASN 64 2HD2 ASN 64 29.136 6.063 -11.872 464 H LYS 65 H LYS 65 33.850 2.988 -10.994 465 HA LYS 65 HA LYS 65 31.957 2.358 -8.839 466 HB2 LYS 65 1HB LYS 65 33.635 0.598 -10.693 467 HB3 LYS 65 2HB LYS 65 32.611 0.005 -9.387 468 HG2 LYS 65 1HG LYS 65 31.168 -0.220 -11.117 469 HG3 LYS 65 2HG LYS 65 30.699 1.377 -10.521 470 HD2 LYS 65 1HD LYS 65 32.270 2.303 -12.376 471 HD3 LYS 65 2HD LYS 65 32.298 0.664 -13.018 472 HE2 LYS 65 1HE LYS 65 29.857 2.454 -12.592 473 HE3 LYS 65 2HE LYS 65 30.619 2.093 -14.142 474 HZ1 LYS 65 3HZ LYS 65 28.641 0.744 -13.773 475 HZ2 LYS 65 1HZ LYS 65 29.251 0.128 -12.397 476 HZ3 LYS 65 2HZ LYS 65 29.960 -0.226 -13.847 477 H THR 66 H THR 66 33.212 3.638 -7.263 478 HA THR 66 HA THR 66 35.869 2.929 -6.518 479 HB THR 66 HB THR 66 35.069 4.163 -4.338 480 HG1 THR 66 1HG THR 66 32.816 3.892 -4.835 481 HG21 THR 66 3HG2 THR 66 34.992 5.564 -7.050 482 HG22 THR 66 1HG2 THR 66 36.449 5.217 -6.092 483 HG23 THR 66 2HG2 THR 66 35.236 6.345 -5.471 484 H SER 67 H SER 67 36.578 1.972 -4.581 485 HA SER 67 HA SER 67 35.590 -0.622 -4.079 486 HB2 SER 67 1HB SER 67 37.456 0.914 -2.239 487 HB3 SER 67 2HB SER 67 37.500 -0.795 -2.694 488 HG SER 67 HG SER 67 38.404 1.486 -4.048 489 H ASN 68 H ASN 68 35.290 -1.355 -1.716 490 HA ASN 68 HA ASN 68 34.148 -1.499 0.187 491 HB2 ASN 68 1HB ASN 68 34.020 1.529 0.329 492 HB3 ASN 68 2HB ASN 68 33.766 0.381 1.630 493 HD21 ASN 68 1HD2 ASN 68 35.897 2.626 1.052 494 HD22 ASN 68 2HD2 ASN 68 37.377 1.758 1.455 495 H CYS 69 H CYS 69 32.728 -0.193 -2.575 496 HA CYS 69 HA CYS 69 30.189 0.552 -1.575 497 HB2 CYS 69 1HB CYS 69 31.178 1.056 -3.881 498 HB3 CYS 69 2HB CYS 69 30.649 -0.578 -4.336 499 HG CYS 69 HG CYS 69 28.123 -0.245 -3.634 500 H VAL 70 H VAL 70 28.464 -0.595 -0.927 501 HA VAL 70 HA VAL 70 28.489 -3.549 -1.261 502 HB VAL 70 HB VAL 70 27.531 -1.697 0.974 503 HG11 VAL 70 1HG1 VAL 70 26.616 -3.541 2.164 504 HG12 VAL 70 2HG1 VAL 70 25.813 -3.521 0.587 505 HG13 VAL 70 3HG1 VAL 70 27.118 -4.687 0.926 506 HG21 VAL 70 3HG2 VAL 70 29.601 -3.906 0.678 507 HG22 VAL 70 1HG2 VAL 70 29.852 -2.237 1.212 508 HG23 VAL 70 2HG2 VAL 70 29.020 -3.407 2.262 509 H VAL 71 H VAL 71 26.660 -4.382 -2.250 510 HA VAL 71 HA VAL 71 24.545 -2.476 -3.066 511 HB VAL 71 HB VAL 71 25.772 -4.510 -4.959 512 HG11 VAL 71 1HG1 VAL 71 23.791 -2.207 -5.288 513 HG12 VAL 71 2HG1 VAL 71 24.519 -3.102 -6.631 514 HG13 VAL 71 3HG1 VAL 71 23.465 -3.945 -5.484 515 HG21 VAL 71 3HG2 VAL 71 27.504 -2.863 -4.570 516 HG22 VAL 71 1HG2 VAL 71 26.773 -2.551 -6.136 517 HG23 VAL 71 2HG2 VAL 71 26.350 -1.532 -4.735 518 H LEU 72 H LEU 72 22.693 -3.214 -2.334 519 HA LEU 72 HA LEU 72 22.138 -6.087 -2.091 520 HB2 LEU 72 1HB LEU 72 22.930 -5.608 0.092 521 HB3 LEU 72 2HB LEU 72 22.230 -4.007 0.097 522 HG LEU 72 HG LEU 72 19.927 -5.053 0.234 523 HD11 LEU 72 1HD1 LEU 72 21.533 -7.608 0.686 524 HD12 LEU 72 2HD1 LEU 72 20.301 -7.325 -0.565 525 HD13 LEU 72 3HD1 LEU 72 19.840 -7.363 1.139 526 HD21 LEU 72 3HD2 LEU 72 20.106 -5.550 2.590 527 HD22 LEU 72 1HD2 LEU 72 21.191 -4.208 2.209 528 HD23 LEU 72 2HD2 LEU 72 21.859 -5.838 2.451 529 H LYS 73 H LYS 73 19.866 -6.410 -2.221 530 HA LYS 73 HA LYS 73 18.180 -4.130 -2.988 531 HB2 LYS 73 1HB LYS 73 17.570 -4.835 -5.081 532 HB3 LYS 73 2HB LYS 73 19.325 -4.749 -5.027 533 HG2 LYS 73 1HG LYS 73 18.956 -6.542 -6.363 534 HG3 LYS 73 2HG LYS 73 19.267 -7.315 -4.811 535 HD2 LYS 73 1HD LYS 73 16.850 -7.721 -4.533 536 HD3 LYS 73 2HD LYS 73 16.483 -6.702 -5.926 537 HE2 LYS 73 1HE LYS 73 16.201 -9.089 -6.373 538 HE3 LYS 73 2HE LYS 73 17.357 -8.327 -7.453 539 HZ1 LYS 73 3HZ LYS 73 17.986 -10.576 -6.359 540 HZ2 LYS 73 1HZ LYS 73 18.306 -9.727 -5.021 541 HZ3 LYS 73 2HZ LYS 73 19.119 -9.405 -6.436 542 H HIS 74 H HIS 74 15.963 -4.769 -3.172 543 HA HIS 74 HA HIS 74 15.318 -7.020 -1.280 544 HB2 HIS 74 1HB HIS 74 14.269 -4.538 -1.228 545 HB3 HIS 74 2HB HIS 74 13.215 -5.185 -2.474 546 HD1 HIS 74 1HD HIS 74 11.012 -6.337 -1.299 547 HD2 HIS 74 2HD HIS 74 14.533 -6.252 1.033 548 HE1 HIS 74 1HE HIS 74 10.462 -7.479 0.874 549 H VAL 75 H VAL 75 14.276 -8.949 -2.111 550 HA VAL 75 HA VAL 75 14.475 -9.198 -4.965 551 HB VAL 75 HB VAL 75 13.459 -11.134 -2.868 552 HG11 VAL 75 1HG1 VAL 75 12.358 -11.637 -4.959 553 HG12 VAL 75 2HG1 VAL 75 13.884 -11.495 -5.852 554 HG13 VAL 75 3HG1 VAL 75 13.649 -12.821 -4.689 555 HG21 VAL 75 3HG2 VAL 75 15.595 -12.268 -3.294 556 HG22 VAL 75 1HG2 VAL 75 16.063 -11.003 -4.444 557 HG23 VAL 75 2HG2 VAL 75 15.878 -10.629 -2.715 558 HA PRO 76 HA PRO 76 9.784 -9.622 -5.210 559 HB2 PRO 76 1HB PRO 76 8.127 -8.748 -3.204 560 HB3 PRO 76 2HB PRO 76 8.763 -10.414 -3.328 561 HG2 PRO 76 1HG PRO 76 9.960 -8.103 -1.751 562 HG3 PRO 76 2HG PRO 76 9.545 -9.734 -1.133 563 HD2 PRO 76 1HD PRO 76 12.022 -9.144 -1.872 564 HD3 PRO 76 2HD PRO 76 11.317 -10.703 -2.407 565 H SER 77 H SER 77 11.146 -6.817 -3.645 566 HA SER 77 HA SER 77 9.290 -4.995 -5.130 567 HB2 SER 77 1HB SER 77 9.775 -4.755 -2.657 568 HB3 SER 77 2HB SER 77 11.431 -4.302 -3.092 569 HG SER 77 HG SER 77 9.122 -2.918 -3.932 570 H GLY 78 H GLY 78 12.489 -6.323 -5.417 571 HA2 GLY 78 1HA GLY 78 14.219 -5.986 -6.775 572 HA3 GLY 78 2HA GLY 78 13.119 -5.288 -7.922 573 H ILE 79 H ILE 79 13.300 -3.602 -4.861 574 HA ILE 79 HA ILE 79 14.459 -1.229 -6.030 575 HB ILE 79 HB ILE 79 13.732 -1.991 -3.174 576 HG12 ILE 79 1HG1 ILE 79 12.445 -0.125 -5.222 577 HG13 ILE 79 2HG1 ILE 79 11.849 -1.699 -4.760 578 HG21 ILE 79 1HG2 ILE 79 14.058 0.323 -2.492 579 HG22 ILE 79 2HG2 ILE 79 15.575 -0.262 -3.178 580 HG23 ILE 79 3HG2 ILE 79 14.516 0.782 -4.149 581 HD11 ILE 79 3HD1 ILE 79 11.517 -0.830 -2.409 582 HD12 ILE 79 1HD1 ILE 79 11.928 0.794 -3.014 583 HD13 ILE 79 2HD1 ILE 79 10.524 -0.049 -3.657 584 H VAL 80 H VAL 80 16.593 -1.033 -6.431 585 HA VAL 80 HA VAL 80 18.570 -2.574 -4.812 586 HB VAL 80 HB VAL 80 18.915 -1.213 -7.528 587 HG11 VAL 80 1HG1 VAL 80 21.061 -1.511 -6.382 588 HG12 VAL 80 2HG1 VAL 80 20.683 -3.212 -6.031 589 HG13 VAL 80 3HG1 VAL 80 20.944 -2.663 -7.700 590 HG21 VAL 80 3HG2 VAL 80 17.357 -3.024 -7.880 591 HG22 VAL 80 1HG2 VAL 80 18.921 -3.500 -8.517 592 HG23 VAL 80 2HG2 VAL 80 18.367 -4.140 -6.958 593 H VAL 81 H VAL 81 20.345 -1.422 -3.885 594 HA VAL 81 HA VAL 81 20.447 1.473 -4.315 595 HB VAL 81 HB VAL 81 18.732 1.154 -2.547 596 HG11 VAL 81 1HG1 VAL 81 19.354 0.547 -0.281 597 HG12 VAL 81 2HG1 VAL 81 19.635 -0.790 -1.412 598 HG13 VAL 81 3HG1 VAL 81 21.012 0.177 -0.802 599 HG21 VAL 81 3HG2 VAL 81 19.596 2.897 -1.039 600 HG22 VAL 81 1HG2 VAL 81 21.206 2.690 -1.734 601 HG23 VAL 81 2HG2 VAL 81 19.874 3.264 -2.748 602 H LYS 82 H LYS 82 22.473 2.375 -3.775 603 HA LYS 82 HA LYS 82 24.662 0.389 -3.259 604 HB2 LYS 82 1HB LYS 82 24.537 2.836 -5.068 605 HB3 LYS 82 2HB LYS 82 26.018 1.950 -4.671 606 HG2 LYS 82 1HG LYS 82 25.230 -0.008 -5.858 607 HG3 LYS 82 2HG LYS 82 23.620 0.693 -6.070 608 HD2 LYS 82 1HD LYS 82 24.933 0.846 -8.107 609 HD3 LYS 82 2HD LYS 82 24.489 2.435 -7.520 610 HE2 LYS 82 1HE LYS 82 27.185 1.293 -6.744 611 HE3 LYS 82 2HE LYS 82 26.955 1.824 -8.409 612 HZ1 LYS 82 3HZ LYS 82 27.849 3.581 -6.959 613 HZ2 LYS 82 1HZ LYS 82 26.463 3.622 -6.101 614 HZ3 LYS 82 2HZ LYS 82 26.471 4.011 -7.692 615 H CYS 83 H CYS 83 25.167 0.811 -1.097 616 HA CYS 83 HA CYS 83 25.809 3.639 -0.409 617 HB2 CYS 83 1HB CYS 83 24.456 1.569 1.378 618 HB3 CYS 83 2HB CYS 83 24.858 3.234 1.821 619 HG CYS 83 HG CYS 83 23.259 4.416 0.177 620 H HIS 84 H HIS 84 27.531 3.884 1.023 621 HA HIS 84 HA HIS 84 28.846 1.655 2.279 622 HB2 HIS 84 1HB HIS 84 31.062 2.200 1.239 623 HB3 HIS 84 2HB HIS 84 29.909 1.373 0.217 624 HD1 HIS 84 1HD HIS 84 29.555 2.535 -2.195 625 HD2 HIS 84 2HD HIS 84 31.253 4.984 0.803 626 HE1 HIS 84 1HE HIS 84 30.252 4.701 -3.329 627 H GLN 85 H GLN 85 30.253 2.459 3.939 628 HA GLN 85 HA GLN 85 30.430 5.375 4.264 629 HB2 GLN 85 1HB GLN 85 28.241 4.501 5.221 630 HB3 GLN 85 2HB GLN 85 29.188 3.569 6.381 631 HG2 GLN 85 1HG GLN 85 29.673 6.551 6.117 632 HG3 GLN 85 2HG GLN 85 28.195 5.978 6.869 633 HE21 GLN 85 1HE2 GLN 85 28.301 4.806 8.902 634 HE22 GLN 85 2HE2 GLN 85 29.803 4.720 9.830 635 H THR 86 H THR 86 31.301 2.083 5.343 636 HA THR 86 HA THR 86 33.896 3.137 6.372 637 HB THR 86 HB THR 86 33.803 1.350 8.003 638 HG1 THR 86 1HG THR 86 31.437 0.574 6.626 639 HG21 THR 86 3HG2 THR 86 31.043 2.637 8.085 640 HG22 THR 86 1HG2 THR 86 32.542 3.408 8.639 641 HG23 THR 86 2HG2 THR 86 31.964 1.939 9.433 642 H ARG 87 H ARG 87 35.376 0.954 6.489 643 HA ARG 87 HA ARG 87 35.435 -0.088 3.690 644 HB2 ARG 87 1HB ARG 87 37.657 -0.984 4.293 645 HB3 ARG 87 2HB ARG 87 37.576 0.766 4.368 646 HG2 ARG 87 1HG ARG 87 37.119 -0.836 6.905 647 HG3 ARG 87 2HG ARG 87 38.760 -0.662 6.286 648 HD2 ARG 87 1HD ARG 87 38.883 1.581 6.679 649 HD3 ARG 87 2HD ARG 87 37.160 1.868 6.443 650 HE ARG 87 HE ARG 87 37.109 0.427 8.732 651 HH11 ARG 87 1HH1 ARG 87 38.561 3.479 7.676 652 HH12 ARG 87 2HH1 ARG 87 38.580 4.193 9.242 653 HH21 ARG 87 1HH2 ARG 87 37.468 1.165 10.840 654 HH22 ARG 87 2HH2 ARG 87 37.775 2.833 11.133 655 H SER 88 H SER 88 34.282 -0.960 6.801 656 HA SER 88 HA SER 88 34.670 -3.828 6.562 657 HB2 SER 88 1HB SER 88 33.260 -1.866 8.393 658 HB3 SER 88 2HB SER 88 32.908 -3.577 8.528 659 HG SER 88 HG SER 88 34.874 -3.997 9.159 660 H VAL 89 H VAL 89 33.549 -4.937 5.104 661 HA VAL 89 HA VAL 89 31.275 -3.980 3.702 662 HB VAL 89 HB VAL 89 32.776 -5.645 2.796 663 HG11 VAL 89 1HG1 VAL 89 32.840 -7.976 3.469 664 HG12 VAL 89 2HG1 VAL 89 33.337 -6.966 4.830 665 HG13 VAL 89 3HG1 VAL 89 31.705 -7.673 4.794 666 HG21 VAL 89 3HG2 VAL 89 30.002 -6.859 3.095 667 HG22 VAL 89 1HG2 VAL 89 30.442 -5.571 1.970 668 HG23 VAL 89 2HG2 VAL 89 31.177 -7.165 1.800 669 H ASP 90 H ASP 90 31.629 -6.004 6.612 670 HA ASP 90 HA ASP 90 28.988 -6.758 7.097 671 HB2 ASP 90 1HB ASP 90 29.830 -6.929 9.489 672 HB3 ASP 90 2HB ASP 90 30.865 -7.728 8.307 673 H GLN 91 H GLN 91 30.754 -3.756 8.228 674 HA GLN 91 HA GLN 91 28.541 -2.715 9.641 675 HB2 GLN 91 1HB GLN 91 31.054 -1.524 8.428 676 HB3 GLN 91 2HB GLN 91 29.853 -0.547 9.240 677 HG2 GLN 91 1HG GLN 91 30.197 -2.017 11.303 678 HG3 GLN 91 2HG GLN 91 31.580 -2.714 10.463 679 HE21 GLN 91 1HE2 GLN 91 30.460 0.001 12.394 680 HE22 GLN 91 2HE2 GLN 91 31.946 0.913 12.283 681 H ASN 92 H ASN 92 29.763 -2.245 6.324 682 HA ASN 92 HA ASN 92 27.842 -0.273 5.548 683 HB2 ASN 92 1HB ASN 92 29.584 -2.195 3.994 684 HB3 ASN 92 2HB ASN 92 28.487 -1.053 3.198 685 HD21 ASN 92 1HD2 ASN 92 30.965 -0.602 2.335 686 HD22 ASN 92 2HD2 ASN 92 31.843 0.514 3.330 687 H ARG 93 H ARG 93 27.651 -3.860 5.573 688 HA ARG 93 HA ARG 93 25.343 -4.118 3.921 689 HB2 ARG 93 1HB ARG 93 26.407 -5.839 6.205 690 HB3 ARG 93 2HB ARG 93 24.888 -6.187 5.385 691 HG2 ARG 93 1HG ARG 93 26.162 -6.152 3.192 692 HG3 ARG 93 2HG ARG 93 27.656 -6.207 4.123 693 HD2 ARG 93 1HD ARG 93 25.384 -8.178 4.276 694 HD3 ARG 93 2HD ARG 93 26.859 -8.439 3.347 695 HE ARG 93 HE ARG 93 28.061 -8.334 5.580 696 HH11 ARG 93 1HH1 ARG 93 24.819 -9.863 5.120 697 HH12 ARG 93 2HH1 ARG 93 25.064 -10.901 6.492 698 HH21 ARG 93 1HH2 ARG 93 28.311 -9.823 7.232 699 HH22 ARG 93 2HH2 ARG 93 26.970 -10.867 7.698 700 H LYS 94 H LYS 94 25.548 -3.597 7.510 701 HA LYS 94 HA LYS 94 22.752 -3.718 7.906 702 HB2 LYS 94 1HB LYS 94 24.540 -1.789 9.434 703 HB3 LYS 94 2HB LYS 94 23.050 -2.574 9.962 704 HG2 LYS 94 1HG LYS 94 24.588 -4.758 9.453 705 HG3 LYS 94 2HG LYS 94 25.841 -3.536 9.734 706 HD2 LYS 94 1HD LYS 94 25.464 -4.485 11.889 707 HD3 LYS 94 2HD LYS 94 24.591 -2.967 11.922 708 HE2 LYS 94 1HE LYS 94 23.237 -4.689 12.935 709 HE3 LYS 94 2HE LYS 94 22.479 -4.208 11.409 710 HZ1 LYS 94 3HZ LYS 94 24.234 -6.580 11.627 711 HZ2 LYS 94 1HZ LYS 94 23.157 -6.195 10.415 712 HZ3 LYS 94 2HZ LYS 94 22.618 -6.661 11.886 713 H ILE 95 H ILE 95 24.833 -0.886 7.280 714 HA ILE 95 HA ILE 95 22.905 0.995 7.368 715 HB ILE 95 HB ILE 95 25.406 0.927 5.650 716 HG12 ILE 95 1HG1 ILE 95 24.831 2.378 8.278 717 HG13 ILE 95 2HG1 ILE 95 25.611 0.803 8.183 718 HG21 ILE 95 1HG2 ILE 95 23.670 3.364 6.270 719 HG22 ILE 95 2HG2 ILE 95 25.235 3.395 5.429 720 HG23 ILE 95 3HG2 ILE 95 23.867 2.620 4.671 721 HD11 ILE 95 3HD1 ILE 95 26.727 3.388 7.046 722 HD12 ILE 95 1HD1 ILE 95 27.287 2.500 8.458 723 HD13 ILE 95 2HD1 ILE 95 27.460 1.774 6.846 724 H ALA 96 H ALA 96 23.930 -0.881 4.504 725 HA ALA 96 HA ALA 96 22.156 0.310 2.644 726 HB1 ALA 96 1HB ALA 96 24.148 -1.050 2.028 727 HB2 ALA 96 2HB ALA 96 23.384 -2.502 2.714 728 HB3 ALA 96 3HB ALA 96 22.684 -1.723 1.290 729 H ARG 97 H ARG 97 21.689 -2.548 4.844 730 HA ARG 97 HA ARG 97 19.141 -3.336 3.782 731 HB2 ARG 97 1HB ARG 97 20.899 -4.526 5.354 732 HB3 ARG 97 2HB ARG 97 20.048 -3.686 6.657 733 HG2 ARG 97 1HG ARG 97 17.896 -4.733 5.704 734 HG3 ARG 97 2HG ARG 97 18.920 -5.673 4.638 735 HD2 ARG 97 1HD ARG 97 19.066 -5.614 7.672 736 HD3 ARG 97 2HD ARG 97 18.271 -6.888 6.740 737 HE ARG 97 HE ARG 97 21.030 -6.632 7.401 738 HH11 ARG 97 1HH1 ARG 97 19.001 -7.774 4.693 739 HH12 ARG 97 2HH1 ARG 97 20.193 -8.905 4.113 740 HH21 ARG 97 1HH2 ARG 97 22.507 -8.268 6.691 741 HH22 ARG 97 2HH2 ARG 97 22.043 -9.352 5.419 742 H LYS 98 H LYS 98 20.021 -1.120 6.555 743 HA LYS 98 HA LYS 98 17.270 -0.665 7.164 744 HB2 LYS 98 1HB LYS 98 17.989 1.302 8.468 745 HB3 LYS 98 2HB LYS 98 18.740 -0.227 8.849 746 HG2 LYS 98 1HG LYS 98 20.540 1.089 9.077 747 HG3 LYS 98 2HG LYS 98 20.728 0.581 7.439 748 HD2 LYS 98 1HD LYS 98 21.314 2.841 7.461 749 HD3 LYS 98 2HD LYS 98 19.708 2.860 6.737 750 HE2 LYS 98 1HE LYS 98 18.706 3.535 8.866 751 HE3 LYS 98 2HE LYS 98 20.263 3.336 9.685 752 HZ1 LYS 98 3HZ LYS 98 19.615 5.347 7.637 753 HZ2 LYS 98 1HZ LYS 98 21.137 5.099 8.246 754 HZ3 LYS 98 2HZ LYS 98 19.936 5.599 9.246 755 H VAL 99 H VAL 99 19.498 1.403 5.103 756 HA VAL 99 HA VAL 99 17.336 3.162 4.575 757 HB VAL 99 HB VAL 99 19.830 3.542 4.198 758 HG11 VAL 99 1HG1 VAL 99 20.376 1.592 2.874 759 HG12 VAL 99 2HG1 VAL 99 19.389 2.208 1.520 760 HG13 VAL 99 3HG1 VAL 99 20.816 3.103 2.080 761 HG21 VAL 99 3HG2 VAL 99 17.944 4.318 1.914 762 HG22 VAL 99 1HG2 VAL 99 18.032 5.126 3.483 763 HG23 VAL 99 2HG2 VAL 99 19.431 5.167 2.405 764 H LEU 100 H LEU 100 18.169 0.040 3.065 765 HA LEU 100 HA LEU 100 16.389 0.353 0.832 766 HB2 LEU 100 1HB LEU 100 18.108 -1.300 0.765 767 HB3 LEU 100 2HB LEU 100 17.544 -2.073 2.244 768 HG LEU 100 HG LEU 100 15.472 -2.796 1.061 769 HD11 LEU 100 1HD1 LEU 100 16.859 -1.605 -1.395 770 HD12 LEU 100 2HD1 LEU 100 15.335 -1.030 -0.664 771 HD13 LEU 100 3HD1 LEU 100 15.406 -2.616 -1.420 772 HD21 LEU 100 3HD2 LEU 100 17.985 -3.614 -0.455 773 HD22 LEU 100 1HD2 LEU 100 16.500 -4.565 -0.185 774 HD23 LEU 100 2HD2 LEU 100 17.571 -4.205 1.161 775 H GLN 101 H GLN 101 15.992 -0.924 4.166 776 HA GLN 101 HA GLN 101 13.363 -1.871 3.948 777 HB2 GLN 101 1HB GLN 101 14.990 -2.297 5.784 778 HB3 GLN 101 2HB GLN 101 14.769 -0.644 6.359 779 HG2 GLN 101 1HG GLN 101 12.482 -1.078 6.978 780 HG3 GLN 101 2HG GLN 101 12.502 -2.625 6.177 781 HE21 GLN 101 1HE2 GLN 101 11.773 -3.390 8.386 782 HE22 GLN 101 2HE2 GLN 101 13.027 -3.755 9.565 783 H GLU 102 H GLU 102 14.503 1.403 4.879 784 HA GLU 102 HA GLU 102 11.931 2.547 5.282 785 HB2 GLU 102 1HB GLU 102 14.502 3.871 4.254 786 HB3 GLU 102 2HB GLU 102 13.118 4.707 4.986 787 HG2 GLU 102 1HG GLU 102 13.443 3.358 7.040 788 HG3 GLU 102 2HG GLU 102 14.869 2.636 6.389 789 H LYS 103 H LYS 103 13.751 2.010 2.374 790 HA LYS 103 HA LYS 103 11.827 3.461 0.664 791 HB2 LYS 103 1HB LYS 103 14.248 1.773 -0.050 792 HB3 LYS 103 2HB LYS 103 13.235 2.647 -1.217 793 HG2 LYS 103 1HG LYS 103 13.606 4.744 0.211 794 HG3 LYS 103 2HG LYS 103 14.825 3.859 1.084 795 HD2 LYS 103 1HD LYS 103 14.871 4.598 -1.863 796 HD3 LYS 103 2HD LYS 103 15.784 5.340 -0.555 797 HE2 LYS 103 1HE LYS 103 17.408 4.007 -1.376 798 HE3 LYS 103 2HE LYS 103 16.726 2.909 -0.156 799 HZ1 LYS 103 3HZ LYS 103 16.075 2.976 -3.052 800 HZ2 LYS 103 1HZ LYS 103 15.411 1.928 -2.009 801 HZ3 LYS 103 2HZ LYS 103 17.033 1.866 -2.378 802 H VAL 104 H VAL 104 12.296 0.088 1.594 803 HA VAL 104 HA VAL 104 10.404 -0.936 -0.366 804 HB VAL 104 HB VAL 104 11.769 -2.109 2.075 805 HG11 VAL 104 1HG1 VAL 104 9.910 -3.543 0.129 806 HG12 VAL 104 2HG1 VAL 104 10.963 -4.342 1.319 807 HG13 VAL 104 3HG1 VAL 104 9.632 -3.323 1.863 808 HG21 VAL 104 3HG2 VAL 104 13.056 -3.356 0.464 809 HG22 VAL 104 1HG2 VAL 104 12.019 -2.824 -0.884 810 HG23 VAL 104 2HG2 VAL 104 13.087 -1.671 -0.080 811 H ASP 105 H ASP 105 10.161 0.207 3.043 812 HA ASP 105 HA ASP 105 7.532 -0.710 3.629 813 HB2 ASP 105 1HB ASP 105 9.235 0.456 5.143 814 HB3 ASP 105 2HB ASP 105 8.742 1.969 4.357 815 H VAL 106 H VAL 106 8.532 2.369 2.130 816 HA VAL 106 HA VAL 106 5.933 3.310 1.546 817 HB VAL 106 HB VAL 106 8.492 3.737 -0.069 818 HG11 VAL 106 1HG1 VAL 106 7.488 5.935 -0.699 819 HG12 VAL 106 2HG1 VAL 106 6.542 4.577 -1.313 820 HG13 VAL 106 3HG1 VAL 106 5.982 5.461 0.117 821 HG21 VAL 106 3HG2 VAL 106 8.828 4.357 2.326 822 HG22 VAL 106 1HG2 VAL 106 8.837 5.776 1.265 823 HG23 VAL 106 2HG2 VAL 106 7.420 5.416 2.232 824 H PHE 107 H PHE 107 7.883 0.900 -0.143 825 HA PHE 107 HA PHE 107 6.144 0.851 -2.504 826 HB2 PHE 107 1HB PHE 107 8.589 0.313 -2.483 827 HB3 PHE 107 2HB PHE 107 8.237 -1.166 -1.610 828 HD1 PHE 107 1HD PHE 107 6.864 -3.008 -2.683 829 HD2 PHE 107 2HD PHE 107 8.268 0.441 -4.884 830 HE1 PHE 107 1HE PHE 107 6.581 -4.242 -4.805 831 HE2 PHE 107 2HE PHE 107 7.986 -0.829 -7.005 832 HZ PHE 107 HZ PHE 107 7.146 -3.157 -6.958 833 H TYR 108 H TYR 108 6.009 -0.659 0.658 834 HA TYR 108 HA TYR 108 4.224 -2.817 -0.305 835 HB2 TYR 108 1HB TYR 108 5.666 -2.187 2.247 836 HB3 TYR 108 2HB TYR 108 4.228 -3.194 2.301 837 HD1 TYR 108 1HD TYR 108 7.065 -3.070 -0.215 838 HD2 TYR 108 2HD TYR 108 4.878 -5.403 2.683 839 HE1 TYR 108 1HE TYR 108 8.306 -5.085 -0.901 840 HE2 TYR 108 2HE TYR 108 6.163 -7.400 2.054 841 HH TYR 108 HH TYR 108 7.698 -8.283 0.562 842 H ASN 109 H ASN 109 4.006 0.366 1.066 843 HA ASN 109 HA ASN 109 1.067 -0.091 1.555 844 HB2 ASN 109 1HB ASN 109 0.973 1.719 3.028 845 HB3 ASN 109 2HB ASN 109 2.291 0.672 3.544 846 HD21 ASN 109 1HD2 ASN 109 4.313 1.543 3.751 847 HD22 ASN 109 2HD2 ASN 109 4.788 3.144 3.251 848 H SER 110 H SER 110 3.262 1.518 -0.520 849 HA SER 110 HA SER 110 1.068 2.878 -1.951 850 HB2 SER 110 1HB SER 110 2.278 4.471 -0.428 851 HB3 SER 110 2HB SER 110 3.765 4.124 -1.301 852 HG SER 110 HG SER 110 2.914 5.943 -2.005 853 H GLY 111 H GLY 111 2.217 3.628 -4.204 854 HA2 GLY 111 1HA GLY 111 3.440 3.004 -6.102 855 HA3 GLY 111 2HA GLY 111 4.257 1.745 -5.155 856 HA PRO 112 HA PRO 112 0.932 -0.193 -7.836 857 HB2 PRO 112 1HB PRO 112 2.454 -1.799 -9.433 858 HB3 PRO 112 2HB PRO 112 2.201 -0.064 -9.776 859 HG2 PRO 112 1HG PRO 112 4.591 -1.372 -8.457 860 HG3 PRO 112 2HG PRO 112 4.572 -0.109 -9.719 861 HD2 PRO 112 1HD PRO 112 4.869 0.375 -7.001 862 HD3 PRO 112 2HD PRO 112 4.174 1.566 -8.147 863 H SER 113 H SER 113 0.158 -2.299 -7.664 864 HA SER 113 HA SER 113 1.599 -4.256 -5.932 865 HB2 SER 113 1HB SER 113 -1.362 -3.651 -5.675 866 HB3 SER 113 2HB SER 113 -0.326 -4.607 -4.599 867 HG SER 113 HG SER 113 -0.462 -2.719 -3.608 868 H SER 114 H SER 114 -0.589 -3.601 -8.594 869 HA SER 114 HA SER 114 -0.456 -6.352 -9.596 870 HB2 SER 114 1HB SER 114 -2.988 -4.657 -9.297 871 HB3 SER 114 2HB SER 114 -2.880 -6.193 -10.167 872 HG SER 114 HG SER 114 -2.887 -5.656 -7.430 873 H GLY 115 H GLY 115 -1.416 -6.098 -12.052 874 HA2 GLY 115 1HA GLY 115 -0.570 -3.494 -13.217 875 HA3 GLY 115 2HA GLY 115 0.121 -5.021 -13.799 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -62.925 11.952 90.876 2 HA2 GLY 1 1HA GLY 1 -63.774 10.709 88.941 3 HA3 GLY 1 2HA GLY 1 -65.176 11.813 88.934 4 H SER 2 H SER 2 -62.984 11.355 86.802 5 HA SER 2 HA SER 2 -62.393 14.153 86.297 6 HB2 SER 2 1HB SER 2 -60.230 11.992 86.342 7 HB3 SER 2 2HB SER 2 -60.005 13.715 86.001 8 HG SER 2 HG SER 2 -60.536 14.153 88.163 9 H SER 3 H SER 3 -61.423 14.177 83.924 10 HA SER 3 HA SER 3 -61.999 11.820 82.329 11 HB2 SER 3 1HB SER 3 -63.565 13.161 80.837 12 HB3 SER 3 2HB SER 3 -64.227 12.605 82.378 13 HG SER 3 HG SER 3 -64.759 14.773 81.995 14 H GLY 4 H GLY 4 -62.028 15.197 81.291 15 HA2 GLY 4 1HA GLY 4 -60.354 16.514 80.292 16 HA3 GLY 4 2HA GLY 4 -59.147 15.265 80.684 17 H SER 5 H SER 5 -58.609 15.994 78.255 18 HA SER 5 HA SER 5 -59.307 13.860 76.542 19 HB2 SER 5 1HB SER 5 -60.306 15.392 74.729 20 HB3 SER 5 2HB SER 5 -61.377 14.912 76.045 21 HG SER 5 HG SER 5 -61.211 16.889 76.939 22 H SER 6 H SER 6 -58.182 14.319 74.303 23 HA SER 6 HA SER 6 -56.318 16.398 74.041 24 HB2 SER 6 1HB SER 6 -54.239 15.024 74.237 25 HB3 SER 6 2HB SER 6 -55.019 15.311 75.791 26 HG SER 6 HG SER 6 -55.868 13.224 75.703 27 H GLY 7 H GLY 7 -54.800 15.683 72.022 28 HA2 GLY 7 1HA GLY 7 -55.616 13.494 70.427 29 HA3 GLY 7 2HA GLY 7 -56.470 14.964 69.913 30 H LYS 8 H LYS 8 -54.723 13.750 68.179 31 HA LYS 8 HA LYS 8 -52.818 15.751 67.471 32 HB2 LYS 8 1HB LYS 8 -51.827 12.944 68.269 33 HB3 LYS 8 2HB LYS 8 -50.965 14.011 67.178 34 HG2 LYS 8 1HG LYS 8 -49.836 14.658 68.981 35 HG3 LYS 8 2HG LYS 8 -51.198 15.741 69.216 36 HD2 LYS 8 1HD LYS 8 -52.167 13.656 70.613 37 HD3 LYS 8 2HD LYS 8 -50.480 13.166 70.662 38 HE2 LYS 8 1HE LYS 8 -51.662 15.820 71.607 39 HE3 LYS 8 2HE LYS 8 -51.143 14.491 72.654 40 HZ1 LYS 8 3HZ LYS 8 -49.484 16.224 72.529 41 HZ2 LYS 8 1HZ LYS 8 -49.381 16.082 70.895 42 HZ3 LYS 8 2HZ LYS 8 -48.882 14.844 71.862 43 H TRP 9 H TRP 9 -51.853 14.896 65.231 44 HA TRP 9 HA TRP 9 -53.482 12.873 63.929 45 HB2 TRP 9 1HB TRP 9 -54.119 14.333 62.113 46 HB3 TRP 9 2HB TRP 9 -54.776 14.965 63.608 47 HD1 TRP 9 HD TRP 9 -53.835 17.307 64.463 48 HE1 TRP 9 1HE TRP 9 -52.581 19.218 63.298 49 HE3 TRP 9 3HE TRP 9 -52.399 14.872 60.188 50 HZ2 TRP 9 2HZ TRP 9 -51.067 19.617 60.870 51 HZ3 TRP 9 3HZ TRP 9 -51.061 16.047 58.470 52 HH2 TRP 9 HH TRP 9 -50.385 18.413 58.804 53 H GLY 10 H GLY 10 -52.430 12.612 61.596 54 HA2 GLY 10 1HA GLY 10 -50.047 13.555 60.750 55 HA3 GLY 10 2HA GLY 10 -49.583 12.337 61.962 56 H LEU 11 H LEU 11 -48.732 11.543 59.639 57 HA LEU 11 HA LEU 11 -50.606 9.457 58.722 58 HB2 LEU 11 1HB LEU 11 -49.045 11.344 56.880 59 HB3 LEU 11 2HB LEU 11 -49.729 9.805 56.397 60 HG LEU 11 HG LEU 11 -52.001 10.852 57.346 61 HD11 LEU 11 1HD1 LEU 11 -50.452 13.317 56.402 62 HD12 LEU 11 2HD1 LEU 11 -51.002 13.034 58.063 63 HD13 LEU 11 3HD1 LEU 11 -52.185 13.249 56.777 64 HD21 LEU 11 3HD2 LEU 11 -50.800 11.525 54.629 65 HD22 LEU 11 1HD2 LEU 11 -52.526 11.562 55.045 66 HD23 LEU 11 2HD2 LEU 11 -51.656 10.027 55.064 67 H ARG 12 H ARG 12 -49.328 7.689 57.652 68 HA ARG 12 HA ARG 12 -46.969 7.157 59.223 69 HB2 ARG 12 1HB ARG 12 -48.699 5.493 58.162 70 HB3 ARG 12 2HB ARG 12 -47.724 5.603 56.695 71 HG2 ARG 12 1HG ARG 12 -46.614 4.908 59.436 72 HG3 ARG 12 2HG ARG 12 -47.294 3.698 58.307 73 HD2 ARG 12 1HD ARG 12 -45.447 4.434 56.689 74 HD3 ARG 12 2HD ARG 12 -44.756 5.281 58.097 75 HE ARG 12 HE ARG 12 -45.444 2.497 58.552 76 HH11 ARG 12 1HH1 ARG 12 -42.789 4.648 57.535 77 HH12 ARG 12 2HH1 ARG 12 -41.539 3.549 57.963 78 HH21 ARG 12 1HH2 ARG 12 -43.770 1.016 59.123 79 HH22 ARG 12 2HH2 ARG 12 -42.121 1.430 58.872 80 H LEU 13 H LEU 13 -44.892 7.633 58.710 81 HA LEU 13 HA LEU 13 -44.309 9.146 56.236 82 HB2 LEU 13 1HB LEU 13 -42.758 8.537 58.777 83 HB3 LEU 13 2HB LEU 13 -41.890 8.989 57.328 84 HG LEU 13 HG LEU 13 -42.224 10.889 58.788 85 HD11 LEU 13 1HD1 LEU 13 -42.961 12.504 57.158 86 HD12 LEU 13 2HD1 LEU 13 -43.841 11.281 56.235 87 HD13 LEU 13 3HD1 LEU 13 -42.063 11.233 56.322 88 HD21 LEU 13 3HD2 LEU 13 -45.211 10.677 58.254 89 HD22 LEU 13 1HD2 LEU 13 -44.373 11.917 59.200 90 HD23 LEU 13 2HD2 LEU 13 -44.415 10.249 59.787 91 H GLN 14 H GLN 14 -43.526 8.140 54.377 92 HA GLN 14 HA GLN 14 -41.948 5.707 54.583 93 HB2 GLN 14 1HB GLN 14 -43.426 4.294 53.472 94 HB3 GLN 14 2HB GLN 14 -44.513 5.135 54.557 95 HG2 GLN 14 1HG GLN 14 -44.177 5.497 51.554 96 HG3 GLN 14 2HG GLN 14 -45.585 4.915 52.416 97 HE21 GLN 14 1HE2 GLN 14 -46.150 6.963 54.399 98 HE22 GLN 14 2HE2 GLN 14 -46.443 8.380 53.450 99 H GLU 15 H GLU 15 -41.171 5.137 52.221 100 HA GLU 15 HA GLU 15 -41.173 7.607 50.698 101 HB2 GLU 15 1HB GLU 15 -38.804 6.120 51.583 102 HB3 GLU 15 2HB GLU 15 -38.819 6.451 49.852 103 HG2 GLU 15 1HG GLU 15 -39.023 8.470 52.121 104 HG3 GLU 15 2HG GLU 15 -37.759 8.351 50.891 105 H LYS 16 H LYS 16 -40.542 7.381 48.363 106 HA LYS 16 HA LYS 16 -42.799 5.818 47.374 107 HB2 LYS 16 1HB LYS 16 -40.925 7.413 45.636 108 HB3 LYS 16 2HB LYS 16 -42.615 7.078 45.389 109 HG2 LYS 16 1HG LYS 16 -41.319 9.235 47.012 110 HG3 LYS 16 2HG LYS 16 -42.490 9.340 45.742 111 HD2 LYS 16 1HD LYS 16 -43.648 10.092 47.585 112 HD3 LYS 16 2HD LYS 16 -44.231 8.418 47.453 113 HE2 LYS 16 1HE LYS 16 -43.037 7.738 49.343 114 HE3 LYS 16 2HE LYS 16 -41.763 8.925 49.037 115 HZ1 LYS 16 3HZ LYS 16 -44.175 9.276 50.579 116 HZ2 LYS 16 1HZ LYS 16 -43.324 10.597 49.928 117 HZ3 LYS 16 2HZ LYS 16 -42.587 9.552 50.918 118 HA PRO 17 HA PRO 17 -40.451 2.372 45.991 119 HB2 PRO 17 1HB PRO 17 -41.692 1.560 43.673 120 HB3 PRO 17 2HB PRO 17 -42.434 1.378 45.292 121 HG2 PRO 17 1HG PRO 17 -42.895 3.594 43.270 122 HG3 PRO 17 2HG PRO 17 -44.122 2.647 44.171 123 HD2 PRO 17 1HD PRO 17 -43.318 5.105 45.002 124 HD3 PRO 17 2HD PRO 17 -43.669 3.811 46.185 125 H ALA 18 H ALA 18 -38.699 1.863 44.609 126 HA ALA 18 HA ALA 18 -38.095 3.616 42.327 127 HB1 ALA 18 1HB ALA 18 -37.044 4.667 44.328 128 HB2 ALA 18 2HB ALA 18 -36.225 3.133 44.698 129 HB3 ALA 18 3HB ALA 18 -35.822 4.026 43.216 130 H LEU 19 H LEU 19 -35.871 2.684 41.402 131 HA LEU 19 HA LEU 19 -35.627 -0.204 41.629 132 HB2 LEU 19 1HB LEU 19 -36.043 -0.728 39.400 133 HB3 LEU 19 2HB LEU 19 -37.413 0.259 39.864 134 HG LEU 19 HG LEU 19 -35.019 1.164 38.176 135 HD11 LEU 19 1HD1 LEU 19 -37.910 0.595 37.411 136 HD12 LEU 19 2HD1 LEU 19 -36.504 -0.431 37.041 137 HD13 LEU 19 3HD1 LEU 19 -36.626 1.181 36.327 138 HD21 LEU 19 3HD2 LEU 19 -37.549 2.684 38.949 139 HD22 LEU 19 1HD2 LEU 19 -36.418 3.179 37.668 140 HD23 LEU 19 2HD2 LEU 19 -35.866 3.127 39.337 141 H LEU 20 H LEU 20 -33.773 -0.832 39.934 142 HA LEU 20 HA LEU 20 -31.670 1.235 39.960 143 HB2 LEU 20 1HB LEU 20 -30.061 -0.544 40.512 144 HB3 LEU 20 2HB LEU 20 -31.203 -0.192 41.793 145 HG LEU 20 HG LEU 20 -32.482 -2.281 41.169 146 HD11 LEU 20 1HD1 LEU 20 -31.780 -2.757 38.886 147 HD12 LEU 20 2HD1 LEU 20 -31.201 -4.052 39.917 148 HD13 LEU 20 3HD1 LEU 20 -30.068 -2.798 39.371 149 HD21 LEU 20 3HD2 LEU 20 -29.556 -2.637 41.935 150 HD22 LEU 20 1HD2 LEU 20 -30.876 -3.779 42.268 151 HD23 LEU 20 2HD2 LEU 20 -30.876 -2.188 43.035 152 H PHE 21 H PHE 21 -29.821 0.424 38.447 153 HA PHE 21 HA PHE 21 -31.067 -0.464 35.905 154 HB2 PHE 21 1HB PHE 21 -28.687 1.335 36.505 155 HB3 PHE 21 2HB PHE 21 -29.078 0.751 34.904 156 HD1 PHE 21 2HD PHE 21 -30.216 2.998 37.647 157 HD2 PHE 21 1HD PHE 21 -30.924 1.653 33.607 158 HE1 PHE 21 2HE PHE 21 -31.783 4.883 37.291 159 HE2 PHE 21 1HE PHE 21 -32.479 3.552 33.254 160 HZ PHE 21 HZ PHE 21 -32.913 5.167 35.094 161 HA PRO 22 HA PRO 22 -28.320 -3.939 36.211 162 HB2 PRO 22 1HB PRO 22 -28.064 -4.756 33.619 163 HB3 PRO 22 2HB PRO 22 -29.635 -4.822 34.477 164 HG2 PRO 22 1HG PRO 22 -28.628 -2.661 32.594 165 HG3 PRO 22 2HG PRO 22 -30.211 -3.504 32.560 166 HD2 PRO 22 1HD PRO 22 -29.856 -1.058 33.755 167 HD3 PRO 22 2HD PRO 22 -31.009 -2.260 34.404 168 H GLY 23 H GLY 23 -26.150 -4.710 35.591 169 HA2 GLY 23 1HA GLY 23 -24.258 -2.477 35.173 170 HA3 GLY 23 2HA GLY 23 -23.883 -4.117 35.746 171 H MET 24 H MET 24 -22.236 -3.158 33.778 172 HA MET 24 HA MET 24 -23.027 -4.754 31.420 173 HB2 MET 24 1HB MET 24 -23.424 -2.327 30.978 174 HB3 MET 24 2HB MET 24 -21.725 -1.994 31.348 175 HG2 MET 24 1HG MET 24 -22.169 -2.115 28.940 176 HG3 MET 24 2HG MET 24 -21.010 -3.340 29.440 177 HE1 MET 24 3HE MET 24 -23.218 -2.849 26.794 178 HE2 MET 24 1HE MET 24 -21.768 -3.866 26.715 179 HE3 MET 24 2HE MET 24 -23.356 -4.555 26.318 180 H ALA 25 H ALA 25 -21.391 -6.042 30.697 181 HA ALA 25 HA ALA 25 -18.618 -5.649 31.565 182 HB1 ALA 25 1HB ALA 25 -20.266 -8.104 32.336 183 HB2 ALA 25 2HB ALA 25 -18.506 -7.963 32.492 184 HB3 ALA 25 3HB ALA 25 -19.560 -6.911 33.453 185 H ALA 26 H ALA 26 -18.953 -5.136 29.148 186 HA ALA 26 HA ALA 26 -19.423 -7.413 27.398 187 HB1 ALA 26 1HB ALA 26 -19.976 -5.127 26.697 188 HB2 ALA 26 2HB ALA 26 -18.266 -4.651 26.838 189 HB3 ALA 26 3HB ALA 26 -18.764 -5.846 25.619 190 H SER 27 H SER 27 -17.872 -8.405 26.091 191 HA SER 27 HA SER 27 -15.203 -8.650 27.326 192 HB2 SER 27 1HB SER 27 -16.827 -10.584 26.762 193 HB3 SER 27 2HB SER 27 -16.374 -10.314 25.071 194 HG SER 27 HG SER 27 -14.254 -10.840 25.589 195 H THR 28 H THR 28 -13.468 -7.714 26.311 196 HA THR 28 HA THR 28 -13.850 -6.026 24.028 197 HB THR 28 HB THR 28 -12.366 -5.459 25.855 198 HG1 THR 28 1HG THR 28 -10.482 -4.984 24.547 199 HG21 THR 28 3HG2 THR 28 -10.524 -7.697 24.935 200 HG22 THR 28 1HG2 THR 28 -11.486 -7.722 26.431 201 HG23 THR 28 2HG2 THR 28 -10.219 -6.512 26.225 202 H VAL 29 H VAL 29 -11.836 -6.292 22.374 203 HA VAL 29 HA VAL 29 -12.372 -8.827 20.938 204 HB VAL 29 HB VAL 29 -11.588 -7.590 18.941 205 HG11 VAL 29 1HG1 VAL 29 -13.968 -7.733 19.565 206 HG12 VAL 29 2HG1 VAL 29 -13.819 -6.210 20.466 207 HG13 VAL 29 3HG1 VAL 29 -13.575 -6.229 18.715 208 HG21 VAL 29 3HG2 VAL 29 -11.385 -5.147 19.032 209 HG22 VAL 29 1HG2 VAL 29 -11.525 -5.153 20.791 210 HG23 VAL 29 2HG2 VAL 29 -10.115 -5.904 20.009 211 H GLN 30 H GLN 30 -10.057 -8.456 19.276 212 HA GLN 30 HA GLN 30 -7.785 -9.307 20.957 213 HB2 GLN 30 1HB GLN 30 -7.431 -11.199 19.450 214 HB3 GLN 30 2HB GLN 30 -9.040 -11.275 20.171 215 HG2 GLN 30 1HG GLN 30 -9.819 -10.067 17.942 216 HG3 GLN 30 2HG GLN 30 -8.265 -10.589 17.317 217 HE21 GLN 30 1HE2 GLN 30 -10.090 -11.506 15.853 218 HE22 GLN 30 2HE2 GLN 30 -10.646 -13.126 16.174 219 H VAL 31 H VAL 31 -5.755 -9.406 19.467 220 HA VAL 31 HA VAL 31 -5.379 -6.811 18.291 221 HB VAL 31 HB VAL 31 -3.140 -7.701 17.736 222 HG11 VAL 31 1HG1 VAL 31 -3.970 -8.421 20.570 223 HG12 VAL 31 2HG1 VAL 31 -2.337 -8.045 20.007 224 HG13 VAL 31 3HG1 VAL 31 -3.578 -6.786 19.982 225 HG21 VAL 31 3HG2 VAL 31 -3.637 -10.041 17.185 226 HG22 VAL 31 1HG2 VAL 31 -2.475 -9.983 18.507 227 HG23 VAL 31 2HG2 VAL 31 -4.155 -10.372 18.855 228 H ALA 32 H ALA 32 -4.392 -6.632 15.924 229 HA ALA 32 HA ALA 32 -6.169 -8.195 14.144 230 HB1 ALA 32 1HB ALA 32 -4.810 -5.509 13.689 231 HB2 ALA 32 2HB ALA 32 -5.946 -6.316 12.587 232 HB3 ALA 32 3HB ALA 32 -6.508 -5.745 14.166 233 H GLY 33 H GLY 33 -5.427 -8.952 12.122 234 HA2 GLY 33 1HA GLY 33 -2.661 -9.932 12.074 235 HA3 GLY 33 2HA GLY 33 -3.990 -10.330 10.961 236 H ARG 34 H ARG 34 -1.978 -7.610 11.996 237 HA ARG 34 HA ARG 34 -1.698 -6.673 9.176 238 HB2 ARG 34 1HB ARG 34 -2.789 -5.151 11.535 239 HB3 ARG 34 2HB ARG 34 -1.901 -4.267 10.289 240 HG2 ARG 34 1HG ARG 34 -4.369 -5.966 9.717 241 HG3 ARG 34 2HG ARG 34 -4.407 -4.242 10.103 242 HD2 ARG 34 1HD ARG 34 -2.801 -3.854 8.177 243 HD3 ARG 34 2HD ARG 34 -3.070 -5.536 7.705 244 HE ARG 34 HE ARG 34 -5.521 -4.947 7.632 245 HH11 ARG 34 1HH1 ARG 34 -3.010 -2.475 6.797 246 HH12 ARG 34 2HH1 ARG 34 -4.157 -1.442 6.024 247 HH21 ARG 34 1HH2 ARG 34 -6.971 -3.511 6.392 248 HH22 ARG 34 2HH2 ARG 34 -6.305 -2.005 5.846 249 H LYS 35 H LYS 35 -0.672 -5.407 12.397 250 HA LYS 35 HA LYS 35 1.395 -4.676 13.079 251 HB2 LYS 35 1HB LYS 35 1.305 -7.278 13.277 252 HB3 LYS 35 2HB LYS 35 2.460 -7.255 11.941 253 HG2 LYS 35 1HG LYS 35 3.942 -5.754 13.428 254 HG3 LYS 35 2HG LYS 35 2.754 -5.999 14.710 255 HD2 LYS 35 1HD LYS 35 4.480 -7.593 15.102 256 HD3 LYS 35 2HD LYS 35 3.107 -8.494 14.452 257 HE2 LYS 35 1HE LYS 35 4.979 -9.381 13.326 258 HE3 LYS 35 2HE LYS 35 4.188 -8.311 12.165 259 HZ1 LYS 35 3HZ LYS 35 5.870 -6.595 12.862 260 HZ2 LYS 35 1HZ LYS 35 6.438 -7.844 12.020 261 HZ3 LYS 35 2HZ LYS 35 6.691 -7.778 13.639 262 H ASP 36 H ASP 36 0.666 -3.749 10.591 263 HA ASP 36 HA ASP 36 3.246 -3.166 9.184 264 HB2 ASP 36 1HB ASP 36 0.431 -3.849 8.314 265 HB3 ASP 36 2HB ASP 36 1.352 -2.742 7.327 266 H TYR 37 H TYR 37 0.672 -1.954 11.065 267 HA TYR 37 HA TYR 37 -0.150 0.388 9.929 268 HB2 TYR 37 1HB TYR 37 0.181 0.694 12.824 269 HB3 TYR 37 2HB TYR 37 -1.209 0.737 11.826 270 HD1 TYR 37 1HD TYR 37 0.971 -1.475 13.871 271 HD2 TYR 37 2HD TYR 37 -2.632 -1.241 11.511 272 HE1 TYR 37 1HE TYR 37 0.226 -3.548 14.871 273 HE2 TYR 37 2HE TYR 37 -3.457 -3.308 12.607 274 HH TYR 37 HH TYR 37 -1.365 -5.200 14.881 275 HA PRO 38 HA PRO 38 3.264 3.064 11.856 276 HB2 PRO 38 1HB PRO 38 5.533 1.945 12.947 277 HB3 PRO 38 2HB PRO 38 4.032 2.236 13.884 278 HG2 PRO 38 1HG PRO 38 4.934 -0.355 12.609 279 HG3 PRO 38 2HG PRO 38 4.285 -0.063 14.258 280 HD2 PRO 38 1HD PRO 38 2.688 -0.953 12.228 281 HD3 PRO 38 2HD PRO 38 2.133 0.177 13.470 282 H ALA 39 H ALA 39 4.623 4.024 10.492 283 HA ALA 39 HA ALA 39 5.444 2.801 8.064 284 HB1 ALA 39 1HB ALA 39 4.964 5.226 8.335 285 HB2 ALA 39 2HB ALA 39 6.415 5.383 9.353 286 HB3 ALA 39 3HB ALA 39 6.566 4.936 7.641 287 H LEU 40 H LEU 40 7.696 2.925 7.258 288 HA LEU 40 HA LEU 40 9.720 2.002 7.111 289 HB2 LEU 40 1HB LEU 40 10.092 3.130 9.861 290 HB3 LEU 40 2HB LEU 40 11.376 2.581 8.773 291 HG LEU 40 HG LEU 40 9.551 4.999 8.393 292 HD11 LEU 40 1HD1 LEU 40 11.341 5.344 10.023 293 HD12 LEU 40 2HD1 LEU 40 11.760 6.210 8.535 294 HD13 LEU 40 3HD1 LEU 40 12.554 4.676 8.905 295 HD21 LEU 40 3HD2 LEU 40 10.923 5.517 6.398 296 HD22 LEU 40 1HD2 LEU 40 10.032 4.009 6.182 297 HD23 LEU 40 2HD2 LEU 40 11.773 3.970 6.592 298 H LEU 41 H LEU 41 7.828 0.296 7.574 299 HA LEU 41 HA LEU 41 8.043 -1.487 9.765 300 HB2 LEU 41 1HB LEU 41 6.718 -3.048 8.380 301 HB3 LEU 41 2HB LEU 41 6.086 -1.426 8.493 302 HG LEU 41 HG LEU 41 7.068 -0.998 6.172 303 HD11 LEU 41 1HD1 LEU 41 8.614 -2.859 5.901 304 HD12 LEU 41 2HD1 LEU 41 7.311 -3.027 4.725 305 HD13 LEU 41 3HD1 LEU 41 7.302 -4.027 6.191 306 HD21 LEU 41 3HD2 LEU 41 4.672 -1.341 6.625 307 HD22 LEU 41 1HD2 LEU 41 4.890 -3.101 6.491 308 HD23 LEU 41 2HD2 LEU 41 5.135 -2.055 5.075 309 HA PRO 42 HA PRO 42 11.709 -3.724 9.031 310 HB2 PRO 42 1HB PRO 42 11.269 -6.178 10.124 311 HB3 PRO 42 2HB PRO 42 11.270 -4.689 11.121 312 HG2 PRO 42 1HG PRO 42 8.879 -6.124 9.919 313 HG3 PRO 42 2HG PRO 42 9.114 -5.626 11.628 314 HD2 PRO 42 1HD PRO 42 7.722 -4.107 9.863 315 HD3 PRO 42 2HD PRO 42 8.770 -3.354 11.098 316 H LEU 43 H LEU 43 12.534 -5.899 8.109 317 HA LEU 43 HA LEU 43 11.002 -7.343 6.158 318 HB2 LEU 43 1HB LEU 43 11.412 -6.310 4.244 319 HB3 LEU 43 2HB LEU 43 11.720 -4.883 5.193 320 HG LEU 43 HG LEU 43 14.189 -5.565 5.226 321 HD11 LEU 43 1HD1 LEU 43 14.756 -7.576 4.342 322 HD12 LEU 43 2HD1 LEU 43 14.043 -7.086 2.782 323 HD13 LEU 43 3HD1 LEU 43 13.054 -7.904 3.967 324 HD21 LEU 43 3HD2 LEU 43 12.960 -5.053 2.516 325 HD22 LEU 43 1HD2 LEU 43 14.642 -4.703 2.998 326 HD23 LEU 43 2HD2 LEU 43 13.285 -3.811 3.717 327 H ASN 44 H ASN 44 12.042 -9.310 5.969 328 HA ASN 44 HA ASN 44 14.106 -9.914 7.823 329 HB2 ASN 44 1HB ASN 44 12.370 -11.534 7.020 330 HB3 ASN 44 2HB ASN 44 13.177 -11.597 5.476 331 HD21 ASN 44 1HD2 ASN 44 13.443 -13.955 6.061 332 HD22 ASN 44 2HD2 ASN 44 14.702 -14.440 7.205 333 H GLU 45 H GLU 45 16.211 -9.514 7.635 334 HA GLU 45 HA GLU 45 17.494 -8.845 5.191 335 HB2 GLU 45 1HB GLU 45 19.486 -8.825 6.497 336 HB3 GLU 45 2HB GLU 45 18.128 -8.108 7.398 337 HG2 GLU 45 1HG GLU 45 17.937 -10.278 8.681 338 HG3 GLU 45 2HG GLU 45 19.476 -10.756 7.935 339 H SER 46 H SER 46 17.119 -11.994 6.840 340 HA SER 46 HA SER 46 19.126 -13.302 5.230 341 HB2 SER 46 1HB SER 46 16.852 -14.492 6.846 342 HB3 SER 46 2HB SER 46 18.332 -15.309 6.318 343 HG SER 46 HG SER 46 18.561 -14.700 8.422 344 H GLU 47 H GLU 47 16.222 -12.041 4.212 345 HA GLU 47 HA GLU 47 15.527 -14.265 2.350 346 HB2 GLU 47 1HB GLU 47 13.901 -13.233 4.056 347 HB3 GLU 47 2HB GLU 47 14.022 -11.744 3.128 348 HG2 GLU 47 1HG GLU 47 13.255 -13.512 1.169 349 HG3 GLU 47 2HG GLU 47 12.544 -14.270 2.583 350 H LEU 48 H LEU 48 17.607 -11.685 2.362 351 HA LEU 48 HA LEU 48 16.825 -10.673 -0.335 352 HB2 LEU 48 1HB LEU 48 18.821 -9.392 1.522 353 HB3 LEU 48 2HB LEU 48 17.923 -8.667 0.189 354 HG LEU 48 HG LEU 48 16.945 -9.399 2.956 355 HD11 LEU 48 1HD1 LEU 48 16.452 -6.945 3.040 356 HD12 LEU 48 2HD1 LEU 48 17.150 -6.780 1.422 357 HD13 LEU 48 3HD1 LEU 48 18.158 -7.315 2.791 358 HD21 LEU 48 3HD2 LEU 48 14.728 -9.182 2.447 359 HD22 LEU 48 1HD2 LEU 48 15.231 -9.843 0.947 360 HD23 LEU 48 2HD2 LEU 48 15.037 -8.117 1.027 361 H GLU 49 H GLU 49 18.783 -9.722 -1.528 362 HA GLU 49 HA GLU 49 21.035 -11.658 -1.587 363 HB2 GLU 49 1HB GLU 49 19.677 -10.340 -3.967 364 HB3 GLU 49 2HB GLU 49 21.047 -11.453 -3.997 365 HG2 GLU 49 1HG GLU 49 19.540 -13.209 -2.986 366 HG3 GLU 49 2HG GLU 49 18.185 -12.104 -3.219 367 H GLU 50 H GLU 50 22.979 -10.618 -1.491 368 HA GLU 50 HA GLU 50 23.137 -7.698 -2.046 369 HB2 GLU 50 1HB GLU 50 24.485 -7.406 -0.092 370 HB3 GLU 50 2HB GLU 50 23.030 -8.281 0.416 371 HG2 GLU 50 1HG GLU 50 24.444 -10.436 0.057 372 HG3 GLU 50 2HG GLU 50 25.837 -9.356 0.032 373 H GLN 51 H GLN 51 25.350 -7.018 -2.624 374 HA GLN 51 HA GLN 51 27.141 -9.190 -3.594 375 HB2 GLN 51 1HB GLN 51 26.236 -6.787 -5.196 376 HB3 GLN 51 2HB GLN 51 27.447 -7.935 -5.714 377 HG2 GLN 51 1HG GLN 51 25.855 -9.607 -6.183 378 HG3 GLN 51 2HG GLN 51 24.617 -8.892 -5.154 379 HE21 GLN 51 1HE2 GLN 51 23.428 -7.006 -5.861 380 HE22 GLN 51 2HE2 GLN 51 23.553 -6.391 -7.505 381 H PHE 52 H PHE 52 29.321 -8.461 -3.793 382 HA PHE 52 HA PHE 52 29.983 -5.972 -2.285 383 HB2 PHE 52 1HB PHE 52 31.665 -8.490 -2.420 384 HB3 PHE 52 2HB PHE 52 31.811 -7.138 -1.304 385 HD1 PHE 52 2HD PHE 52 29.737 -6.721 0.296 386 HD2 PHE 52 1HD PHE 52 30.390 -10.421 -1.834 387 HE1 PHE 52 2HE PHE 52 28.133 -7.872 1.780 388 HE2 PHE 52 1HE PHE 52 28.800 -11.564 -0.333 389 HZ PHE 52 HZ PHE 52 27.679 -10.299 1.500 390 H VAL 53 H VAL 53 31.042 -4.456 -3.511 391 HA VAL 53 HA VAL 53 32.013 -5.228 -6.162 392 HB VAL 53 HB VAL 53 31.848 -2.492 -4.882 393 HG11 VAL 53 1HG1 VAL 53 31.891 -1.679 -7.218 394 HG12 VAL 53 2HG1 VAL 53 33.360 -2.578 -6.834 395 HG13 VAL 53 3HG1 VAL 53 32.080 -3.345 -7.801 396 HG21 VAL 53 3HG2 VAL 53 29.571 -3.420 -4.972 397 HG22 VAL 53 1HG2 VAL 53 29.758 -2.206 -6.235 398 HG23 VAL 53 2HG2 VAL 53 29.819 -3.930 -6.654 399 H LYS 54 H LYS 54 34.025 -5.702 -6.545 400 HA LYS 54 HA LYS 54 36.210 -4.998 -4.630 401 HB2 LYS 54 1HB LYS 54 35.862 -7.196 -6.707 402 HB3 LYS 54 2HB LYS 54 37.426 -6.796 -6.023 403 HG2 LYS 54 1HG LYS 54 36.746 -8.668 -4.836 404 HG3 LYS 54 2HG LYS 54 36.537 -7.317 -3.737 405 HD2 LYS 54 1HD LYS 54 34.715 -8.949 -3.547 406 HD3 LYS 54 2HD LYS 54 34.121 -7.379 -4.036 407 HE2 LYS 54 1HE LYS 54 32.970 -9.172 -5.226 408 HE3 LYS 54 2HE LYS 54 33.834 -8.134 -6.350 409 HZ1 LYS 54 3HZ LYS 54 34.049 -10.527 -6.804 410 HZ2 LYS 54 1HZ LYS 54 34.884 -10.735 -5.411 411 HZ3 LYS 54 2HZ LYS 54 35.496 -9.797 -6.636 412 H GLY 55 H GLY 55 38.253 -4.278 -5.666 413 HA2 GLY 55 1HA GLY 55 37.779 -2.523 -7.968 414 HA3 GLY 55 2HA GLY 55 39.248 -2.651 -6.984 415 H HIS 56 H HIS 56 37.288 -4.619 -9.277 416 HA HIS 56 HA HIS 56 39.672 -6.165 -10.070 417 HB2 HIS 56 1HB HIS 56 36.749 -6.328 -10.891 418 HB3 HIS 56 2HB HIS 56 38.013 -7.363 -11.546 419 HD1 HIS 56 1HD HIS 56 39.574 -8.184 -8.942 420 HD2 HIS 56 2HD HIS 56 35.406 -8.127 -9.498 421 HE1 HIS 56 1HE HIS 56 38.615 -9.850 -7.275 422 H GLY 57 H GLY 57 39.024 -3.078 -10.836 423 HA2 GLY 57 1HA GLY 57 40.498 -3.141 -13.254 424 HA3 GLY 57 2HA GLY 57 38.777 -2.825 -13.578 425 HA PRO 58 HA PRO 58 41.019 1.072 -12.013 426 HB2 PRO 58 1HB PRO 58 41.144 2.584 -14.294 427 HB3 PRO 58 2HB PRO 58 42.353 1.333 -13.887 428 HG2 PRO 58 1HG PRO 58 39.924 1.050 -15.689 429 HG3 PRO 58 2HG PRO 58 41.626 0.608 -16.052 430 HD2 PRO 58 1HD PRO 58 39.835 -1.241 -15.169 431 HD3 PRO 58 2HD PRO 58 41.540 -1.276 -14.623 432 H GLY 59 H GLY 59 37.952 0.234 -13.069 433 HA2 GLY 59 1HA GLY 59 35.917 1.187 -12.505 434 HA3 GLY 59 2HA GLY 59 36.748 2.650 -11.952 435 H GLY 60 H GLY 60 38.150 3.430 -14.178 436 HA2 GLY 60 1HA GLY 60 36.798 3.395 -16.680 437 HA3 GLY 60 2HA GLY 60 36.287 4.834 -15.771 438 H GLN 61 H GLN 61 38.016 6.202 -14.881 439 HA GLN 61 HA GLN 61 40.614 6.067 -16.350 440 HB2 GLN 61 1HB GLN 61 39.076 7.738 -17.387 441 HB3 GLN 61 2HB GLN 61 38.951 8.576 -15.836 442 HG2 GLN 61 1HG GLN 61 41.466 8.900 -15.892 443 HG3 GLN 61 2HG GLN 61 41.471 8.189 -17.512 444 HE21 GLN 61 1HE2 GLN 61 41.930 11.105 -16.260 445 HE22 GLN 61 2HE2 GLN 61 40.976 12.060 -17.391 446 H ALA 62 H ALA 62 38.925 7.849 -13.663 447 HA ALA 62 HA ALA 62 40.946 6.983 -11.753 448 HB1 ALA 62 1HB ALA 62 40.450 9.935 -12.415 449 HB2 ALA 62 2HB ALA 62 41.411 9.325 -11.051 450 HB3 ALA 62 3HB ALA 62 41.961 9.043 -12.713 451 H THR 63 H THR 63 39.982 6.940 -9.679 452 HA THR 63 HA THR 63 37.607 8.352 -8.984 453 HB THR 63 HB THR 63 37.292 5.328 -9.021 454 HG1 THR 63 1HG THR 63 36.972 7.043 -11.176 455 HG21 THR 63 3HG2 THR 63 34.867 5.895 -9.074 456 HG22 THR 63 1HG2 THR 63 35.271 7.622 -9.065 457 HG23 THR 63 2HG2 THR 63 35.655 6.601 -7.660 458 H ASN 64 H ASN 64 37.034 7.389 -6.555 459 HA ASN 64 HA ASN 64 39.397 6.164 -5.318 460 HB2 ASN 64 1HB ASN 64 39.526 8.794 -5.311 461 HB3 ASN 64 2HB ASN 64 38.259 8.687 -4.087 462 HD21 ASN 64 1HD2 ASN 64 41.676 8.590 -4.611 463 HD22 ASN 64 2HD2 ASN 64 42.086 7.936 -3.039 464 H LYS 65 H LYS 65 38.820 5.599 -3.011 465 HA LYS 65 HA LYS 65 37.626 4.241 -1.675 466 HB2 LYS 65 1HB LYS 65 36.980 6.691 -1.214 467 HB3 LYS 65 2HB LYS 65 35.427 6.297 -1.937 468 HG2 LYS 65 1HG LYS 65 34.715 5.434 0.029 469 HG3 LYS 65 2HG LYS 65 36.019 4.257 0.013 470 HD2 LYS 65 1HD LYS 65 36.142 5.443 2.084 471 HD3 LYS 65 2HD LYS 65 37.532 5.879 1.104 472 HE2 LYS 65 1HE LYS 65 36.755 7.874 2.181 473 HE3 LYS 65 2HE LYS 65 36.380 8.013 0.458 474 HZ1 LYS 65 3HZ LYS 65 34.538 8.742 1.729 475 HZ2 LYS 65 1HZ LYS 65 34.439 7.371 2.608 476 HZ3 LYS 65 2HZ LYS 65 34.096 7.410 0.967 477 H THR 66 H THR 66 37.181 3.654 -4.633 478 HA THR 66 HA THR 66 34.536 2.774 -5.062 479 HB THR 66 HB THR 66 35.874 1.386 -6.857 480 HG1 THR 66 1HG THR 66 37.978 2.257 -7.168 481 HG21 THR 66 3HG2 THR 66 36.188 3.372 -8.251 482 HG22 THR 66 1HG2 THR 66 36.133 4.423 -6.816 483 HG23 THR 66 2HG2 THR 66 34.687 3.527 -7.326 484 H SER 67 H SER 67 37.507 0.995 -3.966 485 HA SER 67 HA SER 67 36.243 -1.552 -3.852 486 HB2 SER 67 1HB SER 67 38.234 -1.925 -2.178 487 HB3 SER 67 2HB SER 67 38.575 -1.594 -3.886 488 HG SER 67 HG SER 67 39.883 -0.306 -2.565 489 H ASN 68 H ASN 68 35.307 -2.651 -2.108 490 HA ASN 68 HA ASN 68 34.377 -3.080 -0.124 491 HB2 ASN 68 1HB ASN 68 34.970 -0.308 0.959 492 HB3 ASN 68 2HB ASN 68 34.460 -1.723 1.824 493 HD21 ASN 68 1HD2 ASN 68 37.223 -0.152 0.358 494 HD22 ASN 68 2HD2 ASN 68 38.406 -1.271 1.049 495 H CYS 69 H CYS 69 33.274 -1.116 -2.490 496 HA CYS 69 HA CYS 69 30.945 0.072 -1.255 497 HB2 CYS 69 1HB CYS 69 31.844 -0.559 -4.095 498 HB3 CYS 69 2HB CYS 69 30.174 -0.088 -3.779 499 HG CYS 69 HG CYS 69 33.009 1.482 -3.204 500 H VAL 70 H VAL 70 28.973 -0.890 -0.838 501 HA VAL 70 HA VAL 70 28.566 -3.727 -1.679 502 HB VAL 70 HB VAL 70 27.683 -2.335 0.887 503 HG11 VAL 70 1HG1 VAL 70 27.025 -4.616 1.645 504 HG12 VAL 70 2HG1 VAL 70 26.048 -4.065 0.295 505 HG13 VAL 70 3HG1 VAL 70 27.352 -5.243 0.018 506 HG21 VAL 70 3HG2 VAL 70 29.856 -4.408 0.372 507 HG22 VAL 70 1HG2 VAL 70 30.065 -2.775 1.019 508 HG23 VAL 70 2HG2 VAL 70 29.242 -3.997 1.987 509 H VAL 71 H VAL 71 26.338 -4.303 -2.147 510 HA VAL 71 HA VAL 71 24.433 -2.131 -2.567 511 HB VAL 71 HB VAL 71 25.763 -2.226 -4.639 512 HG11 VAL 71 1HG1 VAL 71 26.497 -4.567 -4.593 513 HG12 VAL 71 2HG1 VAL 71 24.823 -5.091 -4.904 514 HG13 VAL 71 3HG1 VAL 71 25.716 -4.170 -6.128 515 HG21 VAL 71 3HG2 VAL 71 22.934 -3.268 -4.995 516 HG22 VAL 71 1HG2 VAL 71 23.466 -1.570 -4.915 517 HG23 VAL 71 2HG2 VAL 71 23.944 -2.580 -6.278 518 H LEU 72 H LEU 72 22.284 -2.976 -2.545 519 HA LEU 72 HA LEU 72 21.951 -5.851 -1.849 520 HB2 LEU 72 1HB LEU 72 22.299 -4.568 0.267 521 HB3 LEU 72 2HB LEU 72 21.057 -3.425 -0.238 522 HG LEU 72 HG LEU 72 19.356 -5.305 -0.113 523 HD11 LEU 72 1HD1 LEU 72 20.965 -7.235 -0.195 524 HD12 LEU 72 2HD1 LEU 72 19.929 -7.279 1.232 525 HD13 LEU 72 3HD1 LEU 72 21.605 -6.735 1.382 526 HD21 LEU 72 3HD2 LEU 72 20.880 -4.690 2.438 527 HD22 LEU 72 1HD2 LEU 72 19.167 -5.159 2.293 528 HD23 LEU 72 2HD2 LEU 72 19.718 -3.602 1.650 529 H LYS 73 H LYS 73 19.770 -6.610 -2.313 530 HA LYS 73 HA LYS 73 17.948 -4.619 -3.490 531 HB2 LYS 73 1HB LYS 73 17.598 -5.879 -5.511 532 HB3 LYS 73 2HB LYS 73 19.320 -5.565 -5.335 533 HG2 LYS 73 1HG LYS 73 19.476 -7.747 -5.930 534 HG3 LYS 73 2HG LYS 73 19.289 -7.985 -4.208 535 HD2 LYS 73 1HD LYS 73 17.678 -9.453 -4.807 536 HD3 LYS 73 2HD LYS 73 16.679 -8.018 -4.928 537 HE2 LYS 73 1HE LYS 73 16.222 -9.222 -6.871 538 HE3 LYS 73 2HE LYS 73 17.250 -7.895 -7.395 539 HZ1 LYS 73 3HZ LYS 73 19.060 -9.395 -7.626 540 HZ2 LYS 73 1HZ LYS 73 17.789 -10.184 -8.272 541 HZ3 LYS 73 2HZ LYS 73 18.325 -10.610 -6.790 542 H HIS 74 H HIS 74 15.816 -5.358 -3.803 543 HA HIS 74 HA HIS 74 14.913 -7.356 -1.767 544 HB2 HIS 74 1HB HIS 74 14.031 -4.828 -1.974 545 HB3 HIS 74 2HB HIS 74 13.039 -5.472 -3.260 546 HD1 HIS 74 1HD HIS 74 10.649 -6.356 -2.263 547 HD2 HIS 74 2HD HIS 74 13.901 -6.407 0.436 548 HE1 HIS 74 1HE HIS 74 9.731 -7.071 -0.054 549 H VAL 75 H VAL 75 14.376 -9.403 -2.757 550 HA VAL 75 HA VAL 75 14.500 -9.613 -5.614 551 HB VAL 75 HB VAL 75 13.749 -11.544 -3.414 552 HG11 VAL 75 1HG1 VAL 75 13.854 -12.124 -6.409 553 HG12 VAL 75 2HG1 VAL 75 13.791 -13.347 -5.121 554 HG13 VAL 75 3HG1 VAL 75 12.426 -12.254 -5.355 555 HG21 VAL 75 3HG2 VAL 75 16.092 -11.267 -5.365 556 HG22 VAL 75 1HG2 VAL 75 16.121 -10.981 -3.603 557 HG23 VAL 75 2HG2 VAL 75 15.881 -12.607 -4.247 558 HA PRO 76 HA PRO 76 9.810 -10.159 -5.718 559 HB2 PRO 76 1HB PRO 76 8.177 -9.405 -3.657 560 HB3 PRO 76 2HB PRO 76 8.998 -10.997 -3.738 561 HG2 PRO 76 1HG PRO 76 10.078 -8.486 -2.415 562 HG3 PRO 76 2HG PRO 76 9.742 -10.069 -1.599 563 HD2 PRO 76 1HD PRO 76 12.145 -9.428 -2.474 564 HD3 PRO 76 2HD PRO 76 11.528 -11.061 -2.888 565 H SER 77 H SER 77 11.314 -7.260 -4.688 566 HA SER 77 HA SER 77 9.280 -5.685 -6.230 567 HB2 SER 77 1HB SER 77 10.529 -4.761 -3.631 568 HB3 SER 77 2HB SER 77 9.783 -3.673 -4.808 569 HG SER 77 HG SER 77 8.058 -4.082 -3.795 570 H GLY 78 H GLY 78 12.414 -6.684 -6.232 571 HA2 GLY 78 1HA GLY 78 14.218 -6.094 -7.458 572 HA3 GLY 78 2HA GLY 78 13.093 -5.270 -8.532 573 H ILE 79 H ILE 79 13.286 -4.068 -5.267 574 HA ILE 79 HA ILE 79 14.312 -1.489 -6.196 575 HB ILE 79 HB ILE 79 13.936 -2.457 -3.324 576 HG12 ILE 79 1HG1 ILE 79 11.884 -0.970 -5.037 577 HG13 ILE 79 2HG1 ILE 79 11.809 -2.667 -4.566 578 HG21 ILE 79 1HG2 ILE 79 14.012 0.370 -4.499 579 HG22 ILE 79 2HG2 ILE 79 13.824 -0.049 -2.784 580 HG23 ILE 79 3HG2 ILE 79 15.337 -0.406 -3.601 581 HD11 ILE 79 3HD1 ILE 79 11.478 -0.252 -2.790 582 HD12 ILE 79 1HD1 ILE 79 10.428 -1.668 -2.980 583 HD13 ILE 79 2HD1 ILE 79 11.959 -1.827 -2.118 584 H VAL 80 H VAL 80 16.480 -0.893 -6.081 585 HA VAL 80 HA VAL 80 18.394 -2.719 -4.695 586 HB VAL 80 HB VAL 80 18.899 -1.354 -7.357 587 HG11 VAL 80 1HG1 VAL 80 20.416 -3.562 -5.901 588 HG12 VAL 80 2HG1 VAL 80 20.822 -2.910 -7.496 589 HG13 VAL 80 3HG1 VAL 80 20.939 -1.874 -6.072 590 HG21 VAL 80 3HG2 VAL 80 17.199 -2.962 -7.837 591 HG22 VAL 80 1HG2 VAL 80 18.735 -3.589 -8.415 592 HG23 VAL 80 2HG2 VAL 80 18.049 -4.218 -6.903 593 H VAL 81 H VAL 81 19.931 -1.645 -3.520 594 HA VAL 81 HA VAL 81 20.205 1.293 -3.912 595 HB VAL 81 HB VAL 81 18.505 0.715 -2.118 596 HG11 VAL 81 1HG1 VAL 81 20.017 -1.075 -1.042 597 HG12 VAL 81 2HG1 VAL 81 20.901 0.276 -0.305 598 HG13 VAL 81 3HG1 VAL 81 19.166 0.040 0.033 599 HG21 VAL 81 3HG2 VAL 81 20.778 2.537 -1.290 600 HG22 VAL 81 1HG2 VAL 81 19.503 2.943 -2.457 601 HG23 VAL 81 2HG2 VAL 81 19.078 2.619 -0.781 602 H LYS 82 H LYS 82 22.190 2.157 -3.332 603 HA LYS 82 HA LYS 82 24.366 0.153 -2.894 604 HB2 LYS 82 1HB LYS 82 24.141 0.950 -5.226 605 HB3 LYS 82 2HB LYS 82 24.262 2.630 -4.671 606 HG2 LYS 82 1HG LYS 82 26.491 2.157 -3.759 607 HG3 LYS 82 2HG LYS 82 26.386 0.474 -4.355 608 HD2 LYS 82 1HD LYS 82 26.211 1.362 -6.671 609 HD3 LYS 82 2HD LYS 82 26.336 3.008 -6.037 610 HE2 LYS 82 1HE LYS 82 28.452 0.812 -5.790 611 HE3 LYS 82 2HE LYS 82 28.511 2.189 -6.908 612 HZ1 LYS 82 3HZ LYS 82 28.540 2.383 -3.957 613 HZ2 LYS 82 1HZ LYS 82 28.618 3.663 -5.038 614 HZ3 LYS 82 2HZ LYS 82 29.844 2.576 -4.924 615 H CYS 83 H CYS 83 25.356 0.489 -0.961 616 HA CYS 83 HA CYS 83 25.686 3.312 -0.000 617 HB2 CYS 83 1HB CYS 83 24.946 0.835 1.600 618 HB3 CYS 83 2HB CYS 83 25.429 2.393 2.306 619 HG CYS 83 HG CYS 83 23.568 3.833 1.135 620 H HIS 84 H HIS 84 27.644 3.819 1.037 621 HA HIS 84 HA HIS 84 29.651 1.812 1.514 622 HB2 HIS 84 1HB HIS 84 31.261 2.341 -0.052 623 HB3 HIS 84 2HB HIS 84 29.809 2.150 -0.989 624 HD1 HIS 84 1HD HIS 84 28.650 4.737 -1.735 625 HD2 HIS 84 2HD HIS 84 32.625 4.410 -0.372 626 HE1 HIS 84 1HE HIS 84 29.815 6.909 -2.390 627 H GLN 85 H GLN 85 30.599 2.508 3.410 628 HA GLN 85 HA GLN 85 31.175 5.352 3.766 629 HB2 GLN 85 1HB GLN 85 28.815 4.757 4.612 630 HB3 GLN 85 2HB GLN 85 29.584 3.791 5.850 631 HG2 GLN 85 1HG GLN 85 30.160 6.743 5.435 632 HG3 GLN 85 2HG GLN 85 28.809 6.134 6.388 633 HE21 GLN 85 1HE2 GLN 85 29.244 5.024 8.474 634 HE22 GLN 85 2HE2 GLN 85 30.866 5.128 9.142 635 H THR 86 H THR 86 31.003 2.416 5.812 636 HA THR 86 HA THR 86 33.641 2.784 6.896 637 HB THR 86 HB THR 86 32.879 0.493 7.946 638 HG1 THR 86 1HG THR 86 31.077 0.505 6.146 639 HG21 THR 86 3HG2 THR 86 32.720 2.725 9.065 640 HG22 THR 86 1HG2 THR 86 31.395 1.628 9.508 641 HG23 THR 86 2HG2 THR 86 31.108 2.935 8.342 642 H ARG 87 H ARG 87 35.340 1.187 6.910 643 HA ARG 87 HA ARG 87 35.701 -0.119 4.269 644 HB2 ARG 87 1HB ARG 87 37.499 0.110 6.733 645 HB3 ARG 87 2HB ARG 87 37.881 -0.889 5.341 646 HG2 ARG 87 1HG ARG 87 39.051 0.968 4.761 647 HG3 ARG 87 2HG ARG 87 37.546 1.255 3.902 648 HD2 ARG 87 1HD ARG 87 38.253 3.301 4.898 649 HD3 ARG 87 2HD ARG 87 36.833 2.772 5.799 650 HE ARG 87 HE ARG 87 38.507 1.807 7.482 651 HH11 ARG 87 1HH1 ARG 87 39.190 4.863 5.687 652 HH12 ARG 87 2HH1 ARG 87 40.309 5.390 6.897 653 HH21 ARG 87 1HH2 ARG 87 40.001 2.549 8.961 654 HH22 ARG 87 2HH2 ARG 87 40.727 4.100 8.811 655 H SER 88 H SER 88 34.373 -1.027 7.393 656 HA SER 88 HA SER 88 35.019 -3.814 7.221 657 HB2 SER 88 1HB SER 88 32.766 -2.655 8.837 658 HB3 SER 88 2HB SER 88 33.987 -3.857 9.303 659 HG SER 88 HG SER 88 35.480 -2.249 9.545 660 H VAL 89 H VAL 89 33.878 -5.282 5.930 661 HA VAL 89 HA VAL 89 31.812 -4.391 4.173 662 HB VAL 89 HB VAL 89 33.382 -6.244 3.716 663 HG11 VAL 89 1HG1 VAL 89 33.096 -8.468 4.511 664 HG12 VAL 89 2HG1 VAL 89 33.257 -7.432 5.930 665 HG13 VAL 89 3HG1 VAL 89 31.656 -8.043 5.446 666 HG21 VAL 89 3HG2 VAL 89 30.448 -7.031 3.475 667 HG22 VAL 89 1HG2 VAL 89 31.337 -5.950 2.380 668 HG23 VAL 89 2HG2 VAL 89 31.797 -7.652 2.501 669 H ASP 90 H ASP 90 31.696 -6.249 7.187 670 HA ASP 90 HA ASP 90 28.979 -6.832 7.376 671 HB2 ASP 90 1HB ASP 90 29.406 -7.183 9.702 672 HB3 ASP 90 2HB ASP 90 30.837 -7.703 8.815 673 H GLN 91 H GLN 91 30.702 -3.922 8.422 674 HA GLN 91 HA GLN 91 28.305 -2.709 9.507 675 HB2 GLN 91 1HB GLN 91 30.977 -2.404 9.987 676 HB3 GLN 91 2HB GLN 91 30.686 -1.051 8.912 677 HG2 GLN 91 1HG GLN 91 29.506 0.118 10.489 678 HG3 GLN 91 2HG GLN 91 28.670 -1.315 11.092 679 HE21 GLN 91 1HE2 GLN 91 30.699 1.022 12.153 680 HE22 GLN 91 2HE2 GLN 91 31.575 0.111 13.375 681 H ASN 92 H ASN 92 29.793 -2.783 6.326 682 HA ASN 92 HA ASN 92 28.413 -0.329 5.422 683 HB2 ASN 92 1HB ASN 92 30.297 -2.289 4.182 684 HB3 ASN 92 2HB ASN 92 28.986 -1.785 3.126 685 HD21 ASN 92 1HD2 ASN 92 31.170 -0.961 1.976 686 HD22 ASN 92 2HD2 ASN 92 31.534 0.688 2.348 687 H ARG 93 H ARG 93 28.036 -3.873 5.232 688 HA ARG 93 HA ARG 93 25.708 -4.085 3.668 689 HB2 ARG 93 1HB ARG 93 26.651 -5.692 6.085 690 HB3 ARG 93 2HB ARG 93 25.210 -6.095 5.164 691 HG2 ARG 93 1HG ARG 93 26.492 -6.570 3.173 692 HG3 ARG 93 2HG ARG 93 27.969 -5.954 3.880 693 HD2 ARG 93 1HD ARG 93 27.892 -8.450 3.907 694 HD3 ARG 93 2HD ARG 93 28.022 -7.751 5.527 695 HE ARG 93 HE ARG 93 25.358 -8.468 4.427 696 HH11 ARG 93 1HH1 ARG 93 27.898 -10.147 6.047 697 HH12 ARG 93 2HH1 ARG 93 26.972 -10.712 7.382 698 HH21 ARG 93 1HH2 ARG 93 24.000 -9.065 6.389 699 HH22 ARG 93 2HH2 ARG 93 24.694 -10.190 7.474 700 H LYS 94 H LYS 94 25.944 -3.479 7.291 701 HA LYS 94 HA LYS 94 23.151 -3.481 7.549 702 HB2 LYS 94 1HB LYS 94 23.344 -2.772 9.674 703 HB3 LYS 94 2HB LYS 94 24.922 -3.504 9.400 704 HG2 LYS 94 1HG LYS 94 25.709 -1.081 8.917 705 HG3 LYS 94 2HG LYS 94 24.181 -0.564 9.615 706 HD2 LYS 94 1HD LYS 94 26.260 -2.337 10.988 707 HD3 LYS 94 2HD LYS 94 26.100 -0.608 11.260 708 HE2 LYS 94 1HE LYS 94 23.922 -2.672 11.799 709 HE3 LYS 94 2HE LYS 94 25.039 -2.045 13.016 710 HZ1 LYS 94 3HZ LYS 94 23.056 -0.404 11.546 711 HZ2 LYS 94 1HZ LYS 94 24.105 0.159 12.681 712 HZ3 LYS 94 2HZ LYS 94 22.933 -0.912 13.086 713 H ILE 95 H ILE 95 25.167 -0.783 6.405 714 HA ILE 95 HA ILE 95 23.152 1.253 6.706 715 HB ILE 95 HB ILE 95 25.327 1.141 4.563 716 HG12 ILE 95 1HG1 ILE 95 25.564 2.428 7.314 717 HG13 ILE 95 2HG1 ILE 95 26.223 0.844 6.906 718 HG21 ILE 95 1HG2 ILE 95 25.104 3.600 4.562 719 HG22 ILE 95 2HG2 ILE 95 23.546 2.865 4.219 720 HG23 ILE 95 3HG2 ILE 95 23.863 3.502 5.834 721 HD11 ILE 95 3HD1 ILE 95 27.579 1.878 5.075 722 HD12 ILE 95 1HD1 ILE 95 27.072 3.470 5.687 723 HD13 ILE 95 2HD1 ILE 95 28.016 2.382 6.720 724 H ALA 96 H ALA 96 24.134 -0.784 3.894 725 HA ALA 96 HA ALA 96 22.139 0.141 2.120 726 HB1 ALA 96 1HB ALA 96 22.540 -1.939 0.871 727 HB2 ALA 96 2HB ALA 96 24.088 -1.295 1.442 728 HB3 ALA 96 3HB ALA 96 23.343 -2.676 2.274 729 H ARG 97 H ARG 97 22.095 -2.572 4.438 730 HA ARG 97 HA ARG 97 19.456 -3.461 4.002 731 HB2 ARG 97 1HB ARG 97 21.490 -4.405 5.362 732 HB3 ARG 97 2HB ARG 97 20.853 -3.431 6.696 733 HG2 ARG 97 1HG ARG 97 18.639 -4.688 6.333 734 HG3 ARG 97 2HG ARG 97 19.521 -5.702 5.184 735 HD2 ARG 97 1HD ARG 97 19.725 -6.887 7.172 736 HD3 ARG 97 2HD ARG 97 21.264 -6.082 7.047 737 HE ARG 97 HE ARG 97 20.854 -5.190 9.061 738 HH11 ARG 97 1HH1 ARG 97 17.625 -6.031 7.699 739 HH12 ARG 97 2HH1 ARG 97 16.817 -5.700 9.191 740 HH21 ARG 97 1HH2 ARG 97 19.639 -4.426 10.861 741 HH22 ARG 97 2HH2 ARG 97 17.906 -4.413 10.816 742 H LYS 98 H LYS 98 20.645 -0.848 6.103 743 HA LYS 98 HA LYS 98 18.197 -0.344 7.500 744 HB2 LYS 98 1HB LYS 98 20.619 0.370 8.075 745 HB3 LYS 98 2HB LYS 98 20.387 1.714 6.975 746 HG2 LYS 98 1HG LYS 98 18.493 1.075 9.277 747 HG3 LYS 98 2HG LYS 98 19.958 2.012 9.515 748 HD2 LYS 98 1HD LYS 98 19.267 3.823 8.340 749 HD3 LYS 98 2HD LYS 98 18.169 2.922 7.300 750 HE2 LYS 98 1HE LYS 98 17.529 3.025 10.250 751 HE3 LYS 98 2HE LYS 98 17.246 4.483 9.266 752 HZ1 LYS 98 3HZ LYS 98 15.316 3.001 9.364 753 HZ2 LYS 98 1HZ LYS 98 16.155 1.824 8.606 754 HZ3 LYS 98 2HZ LYS 98 15.879 3.275 7.828 755 H VAL 99 H VAL 99 19.712 1.394 4.761 756 HA VAL 99 HA VAL 99 17.457 3.042 4.372 757 HB VAL 99 HB VAL 99 19.895 3.403 3.715 758 HG11 VAL 99 1HG1 VAL 99 19.090 1.802 1.300 759 HG12 VAL 99 2HG1 VAL 99 20.489 2.884 1.387 760 HG13 VAL 99 3HG1 VAL 99 20.413 1.475 2.446 761 HG21 VAL 99 3HG2 VAL 99 17.695 4.042 1.716 762 HG22 VAL 99 1HG2 VAL 99 18.114 4.966 3.174 763 HG23 VAL 99 2HG2 VAL 99 19.271 4.864 1.843 764 H LEU 100 H LEU 100 18.170 -0.166 3.193 765 HA LEU 100 HA LEU 100 16.367 -0.254 0.988 766 HB2 LEU 100 1HB LEU 100 18.113 -2.052 1.888 767 HB3 LEU 100 2HB LEU 100 16.743 -2.688 2.749 768 HG LEU 100 HG LEU 100 16.856 -3.981 0.857 769 HD11 LEU 100 1HD1 LEU 100 15.024 -3.504 -0.629 770 HD12 LEU 100 2HD1 LEU 100 15.010 -1.795 -0.178 771 HD13 LEU 100 3HD1 LEU 100 14.573 -3.055 1.017 772 HD21 LEU 100 3HD2 LEU 100 18.593 -2.759 -0.354 773 HD22 LEU 100 1HD2 LEU 100 17.399 -1.554 -0.895 774 HD23 LEU 100 2HD2 LEU 100 17.288 -3.247 -1.435 775 H GLN 101 H GLN 101 15.851 -1.032 4.446 776 HA GLN 101 HA GLN 101 13.112 -1.800 4.211 777 HB2 GLN 101 1HB GLN 101 14.751 -0.709 6.523 778 HB3 GLN 101 2HB GLN 101 13.053 -1.181 6.698 779 HG2 GLN 101 1HG GLN 101 13.489 -3.431 6.004 780 HG3 GLN 101 2HG GLN 101 15.180 -3.072 5.599 781 HE21 GLN 101 1HE2 GLN 101 14.162 -5.165 7.477 782 HE22 GLN 101 2HE2 GLN 101 14.788 -4.737 9.049 783 H GLU 102 H GLU 102 14.556 1.437 4.366 784 HA GLU 102 HA GLU 102 12.078 2.755 4.911 785 HB2 GLU 102 1HB GLU 102 14.418 3.963 3.378 786 HB3 GLU 102 2HB GLU 102 13.203 4.779 4.376 787 HG2 GLU 102 1HG GLU 102 14.113 3.553 6.372 788 HG3 GLU 102 2HG GLU 102 15.390 2.912 5.353 789 H LYS 103 H LYS 103 13.420 1.431 2.055 790 HA LYS 103 HA LYS 103 11.624 2.939 0.224 791 HB2 LYS 103 1HB LYS 103 13.525 0.649 -0.454 792 HB3 LYS 103 2HB LYS 103 12.679 1.732 -1.573 793 HG2 LYS 103 1HG LYS 103 13.949 3.651 -0.388 794 HG3 LYS 103 2HG LYS 103 14.946 2.396 0.329 795 HD2 LYS 103 1HD LYS 103 15.608 1.573 -1.882 796 HD3 LYS 103 2HD LYS 103 14.586 2.786 -2.683 797 HE2 LYS 103 1HE LYS 103 16.775 3.483 -0.693 798 HE3 LYS 103 2HE LYS 103 17.107 3.324 -2.422 799 HZ1 LYS 103 3HZ LYS 103 14.953 5.125 -1.544 800 HZ2 LYS 103 1HZ LYS 103 15.831 5.203 -2.902 801 HZ3 LYS 103 2HZ LYS 103 16.510 5.626 -1.438 802 H VAL 104 H VAL 104 12.084 -0.421 1.437 803 HA VAL 104 HA VAL 104 9.929 -1.523 -0.095 804 HB VAL 104 HB VAL 104 11.453 -2.428 2.365 805 HG11 VAL 104 1HG1 VAL 104 9.255 -3.992 0.929 806 HG12 VAL 104 2HG1 VAL 104 10.414 -4.678 2.087 807 HG13 VAL 104 3HG1 VAL 104 9.239 -3.481 2.626 808 HG21 VAL 104 3HG2 VAL 104 11.248 -3.453 -0.512 809 HG22 VAL 104 1HG2 VAL 104 12.521 -2.366 0.086 810 HG23 VAL 104 2HG2 VAL 104 12.381 -4.004 0.724 811 H ASP 105 H ASP 105 10.016 -0.010 3.159 812 HA ASP 105 HA ASP 105 7.419 -0.574 3.996 813 HB2 ASP 105 1HB ASP 105 8.954 0.503 5.461 814 HB3 ASP 105 2HB ASP 105 9.284 1.800 4.309 815 H VAL 106 H VAL 106 8.344 2.485 2.439 816 HA VAL 106 HA VAL 106 5.741 3.314 1.815 817 HB VAL 106 HB VAL 106 7.634 4.800 1.919 818 HG11 VAL 106 1HG1 VAL 106 8.566 3.691 -0.753 819 HG12 VAL 106 2HG1 VAL 106 9.244 5.072 0.134 820 HG13 VAL 106 3HG1 VAL 106 9.367 3.457 0.818 821 HG21 VAL 106 3HG2 VAL 106 7.111 6.265 0.041 822 HG22 VAL 106 1HG2 VAL 106 6.287 4.948 -0.804 823 HG23 VAL 106 2HG2 VAL 106 5.637 5.567 0.731 824 H PHE 107 H PHE 107 7.835 1.072 -0.006 825 HA PHE 107 HA PHE 107 6.440 1.197 -2.479 826 HB2 PHE 107 1HB PHE 107 8.633 0.048 -1.995 827 HB3 PHE 107 2HB PHE 107 7.740 -1.262 -1.244 828 HD1 PHE 107 1HD PHE 107 5.906 -2.476 -2.699 829 HD2 PHE 107 2HD PHE 107 9.109 -0.062 -4.306 830 HE1 PHE 107 1HE PHE 107 5.624 -3.543 -4.887 831 HE2 PHE 107 2HE PHE 107 8.871 -1.222 -6.493 832 HZ PHE 107 HZ PHE 107 7.095 -2.928 -6.800 833 H TYR 108 H TYR 108 5.813 -0.768 0.467 834 HA TYR 108 HA TYR 108 3.504 -2.117 -0.724 835 HB2 TYR 108 1HB TYR 108 4.735 -2.006 2.047 836 HB3 TYR 108 2HB TYR 108 3.140 -2.689 1.798 837 HD1 TYR 108 1HD TYR 108 6.565 -3.000 0.207 838 HD2 TYR 108 2HD TYR 108 3.010 -4.995 1.605 839 HE1 TYR 108 1HE TYR 108 7.582 -5.166 -0.349 840 HE2 TYR 108 2HE TYR 108 4.024 -7.185 1.036 841 HH TYR 108 HH TYR 108 7.223 -7.420 -0.558 842 H ASN 109 H ASN 109 4.027 0.656 1.444 843 HA ASN 109 HA ASN 109 1.233 1.027 2.093 844 HB2 ASN 109 1HB ASN 109 3.500 3.058 2.108 845 HB3 ASN 109 2HB ASN 109 1.868 3.360 2.683 846 HD21 ASN 109 1HD2 ASN 109 4.846 1.718 3.379 847 HD22 ASN 109 2HD2 ASN 109 4.662 1.449 5.047 848 H SER 110 H SER 110 3.357 2.667 -0.289 849 HA SER 110 HA SER 110 1.104 3.950 -1.669 850 HB2 SER 110 1HB SER 110 4.126 4.037 -2.120 851 HB3 SER 110 2HB SER 110 2.924 4.958 -3.012 852 HG SER 110 HG SER 110 3.165 5.191 -0.186 853 H GLY 111 H GLY 111 3.052 3.354 -4.276 854 HA2 GLY 111 1HA GLY 111 2.922 0.605 -4.733 855 HA3 GLY 111 2HA GLY 111 1.380 1.308 -5.269 856 HA PRO 112 HA PRO 112 4.606 1.797 -8.634 857 HB2 PRO 112 1HB PRO 112 3.244 0.597 -10.686 858 HB3 PRO 112 2HB PRO 112 4.196 -0.318 -9.480 859 HG2 PRO 112 1HG PRO 112 1.214 0.217 -9.448 860 HG3 PRO 112 2HG PRO 112 2.059 -1.357 -9.262 861 HD2 PRO 112 1HD PRO 112 1.232 0.087 -7.128 862 HD3 PRO 112 2HD PRO 112 2.786 -0.800 -7.081 863 H SER 113 H SER 113 4.389 3.073 -10.721 864 HA SER 113 HA SER 113 2.081 4.956 -10.606 865 HB2 SER 113 1HB SER 113 3.663 6.582 -11.621 866 HB3 SER 113 2HB SER 113 4.106 6.050 -10.000 867 HG SER 113 HG SER 113 5.942 5.898 -10.991 868 H SER 114 H SER 114 4.505 4.062 -13.103 869 HA SER 114 HA SER 114 2.672 4.325 -15.258 870 HB2 SER 114 1HB SER 114 4.676 3.119 -16.458 871 HB3 SER 114 2HB SER 114 4.833 4.758 -15.831 872 HG SER 114 HG SER 114 5.757 2.343 -14.650 873 H GLY 115 H GLY 115 2.705 1.727 -13.020 874 HA2 GLY 115 1HA GLY 115 0.955 0.202 -14.686 875 HA3 GLY 115 2HA GLY 115 2.570 -0.539 -14.593 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.634 79.950 78.592 2 HA2 GLY 1 1HA GLY 1 -9.452 79.002 78.685 3 HA3 GLY 1 2HA GLY 1 -8.783 79.966 77.343 4 H SER 2 H SER 2 -9.900 77.388 76.798 5 HA SER 2 HA SER 2 -7.622 76.020 75.689 6 HB2 SER 2 1HB SER 2 -8.608 73.832 76.748 7 HB3 SER 2 2HB SER 2 -7.536 74.850 77.716 8 HG SER 2 HG SER 2 -10.210 74.311 78.067 9 H SER 3 H SER 3 -8.595 74.166 74.288 10 HA SER 3 HA SER 3 -11.333 74.761 73.361 11 HB2 SER 3 1HB SER 3 -8.911 74.376 71.548 12 HB3 SER 3 2HB SER 3 -10.569 74.780 71.065 13 HG SER 3 HG SER 3 -9.328 76.645 71.076 14 H GLY 4 H GLY 4 -11.811 72.891 71.582 15 HA2 GLY 4 1HA GLY 4 -10.573 70.337 72.045 16 HA3 GLY 4 2HA GLY 4 -12.191 70.504 72.773 17 H SER 5 H SER 5 -12.317 68.670 70.853 18 HA SER 5 HA SER 5 -13.817 69.880 68.703 19 HB2 SER 5 1HB SER 5 -11.214 68.370 68.163 20 HB3 SER 5 2HB SER 5 -12.449 68.710 66.935 21 HG SER 5 HG SER 5 -11.718 70.939 68.368 22 H SER 6 H SER 6 -14.695 67.942 67.287 23 HA SER 6 HA SER 6 -14.697 65.348 68.472 24 HB2 SER 6 1HB SER 6 -16.312 66.813 69.928 25 HB3 SER 6 2HB SER 6 -17.361 66.827 68.497 26 HG SER 6 HG SER 6 -16.555 64.708 70.162 27 H GLY 7 H GLY 7 -16.710 64.145 67.148 28 HA2 GLY 7 1HA GLY 7 -17.369 65.193 64.579 29 HA3 GLY 7 2HA GLY 7 -15.976 64.103 64.463 30 H LYS 8 H LYS 8 -17.878 63.029 63.111 31 HA LYS 8 HA LYS 8 -18.992 60.854 64.711 32 HB2 LYS 8 1HB LYS 8 -20.689 62.623 62.868 33 HB3 LYS 8 2HB LYS 8 -21.197 61.063 63.531 34 HG2 LYS 8 1HG LYS 8 -20.936 61.985 65.848 35 HG3 LYS 8 2HG LYS 8 -20.556 63.572 65.144 36 HD2 LYS 8 1HD LYS 8 -22.773 63.629 64.050 37 HD3 LYS 8 2HD LYS 8 -23.169 62.054 64.785 38 HE2 LYS 8 1HE LYS 8 -22.810 63.026 67.049 39 HE3 LYS 8 2HE LYS 8 -22.405 64.585 66.322 40 HZ1 LYS 8 3HZ LYS 8 -24.653 64.697 65.443 41 HZ2 LYS 8 1HZ LYS 8 -24.682 64.531 67.076 42 HZ3 LYS 8 2HZ LYS 8 -25.034 63.243 66.120 43 H TRP 9 H TRP 9 -19.657 59.057 63.119 44 HA TRP 9 HA TRP 9 -18.143 59.278 60.567 45 HB2 TRP 9 1HB TRP 9 -18.268 56.992 62.573 46 HB3 TRP 9 2HB TRP 9 -17.653 56.833 60.934 47 HD1 TRP 9 HD TRP 9 -16.587 57.940 64.353 48 HE1 TRP 9 1HE TRP 9 -14.157 58.755 64.306 49 HE3 TRP 9 3HE TRP 9 -15.882 58.132 59.281 50 HZ2 TRP 9 2HZ TRP 9 -12.157 59.422 62.323 51 HZ3 TRP 9 3HZ TRP 9 -13.701 58.855 58.348 52 HH2 TRP 9 HH TRP 9 -11.840 59.499 59.857 53 H GLY 10 H GLY 10 -18.981 58.109 58.829 54 HA2 GLY 10 1HA GLY 10 -21.881 57.816 58.799 55 HA3 GLY 10 2HA GLY 10 -20.753 57.673 57.434 56 H LEU 11 H LEU 11 -21.979 55.990 60.339 57 HA LEU 11 HA LEU 11 -20.667 53.487 59.692 58 HB2 LEU 11 1HB LEU 11 -22.984 54.197 61.524 59 HB3 LEU 11 2HB LEU 11 -22.519 52.521 61.252 60 HG LEU 11 HG LEU 11 -20.567 54.634 62.234 61 HD11 LEU 11 1HD1 LEU 11 -22.392 54.323 63.878 62 HD12 LEU 11 2HD1 LEU 11 -20.871 53.655 64.483 63 HD13 LEU 11 3HD1 LEU 11 -22.124 52.567 63.852 64 HD21 LEU 11 3HD2 LEU 11 -19.404 52.720 61.238 65 HD22 LEU 11 1HD2 LEU 11 -20.403 51.587 62.179 66 HD23 LEU 11 2HD2 LEU 11 -19.242 52.653 62.986 67 H ARG 12 H ARG 12 -21.412 51.754 58.624 68 HA ARG 12 HA ARG 12 -23.999 51.730 57.283 69 HB2 ARG 12 1HB ARG 12 -23.183 51.708 55.087 70 HB3 ARG 12 2HB ARG 12 -22.371 53.079 55.828 71 HG2 ARG 12 1HG ARG 12 -21.220 50.330 55.241 72 HG3 ARG 12 2HG ARG 12 -20.883 51.804 54.352 73 HD2 ARG 12 1HD ARG 12 -19.632 52.764 56.194 74 HD3 ARG 12 2HD ARG 12 -20.089 51.452 57.283 75 HE ARG 12 HE ARG 12 -18.007 51.419 55.299 76 HH11 ARG 12 1HH1 ARG 12 -20.106 49.328 57.390 77 HH12 ARG 12 2HH1 ARG 12 -19.323 47.884 56.834 78 HH21 ARG 12 1HH2 ARG 12 -16.899 49.370 54.810 79 HH22 ARG 12 2HH2 ARG 12 -17.594 47.904 55.424 80 H LEU 13 H LEU 13 -24.274 49.477 56.149 81 HA LEU 13 HA LEU 13 -22.578 47.381 57.382 82 HB2 LEU 13 1HB LEU 13 -25.629 47.543 57.171 83 HB3 LEU 13 2HB LEU 13 -24.750 46.072 57.515 84 HG LEU 13 HG LEU 13 -25.654 46.772 59.514 85 HD11 LEU 13 1HD1 LEU 13 -22.725 47.571 59.681 86 HD12 LEU 13 2HD1 LEU 13 -23.342 45.901 59.654 87 HD13 LEU 13 3HD1 LEU 13 -23.756 46.979 60.993 88 HD21 LEU 13 3HD2 LEU 13 -26.015 49.193 58.946 89 HD22 LEU 13 1HD2 LEU 13 -24.333 49.496 59.445 90 HD23 LEU 13 2HD2 LEU 13 -25.499 48.858 60.602 91 H GLN 14 H GLN 14 -23.011 45.267 56.235 92 HA GLN 14 HA GLN 14 -24.105 44.940 53.747 93 HB2 GLN 14 1HB GLN 14 -22.181 44.779 52.303 94 HB3 GLN 14 2HB GLN 14 -22.390 46.429 52.841 95 HG2 GLN 14 1HG GLN 14 -20.379 44.509 54.134 96 HG3 GLN 14 2HG GLN 14 -20.003 45.447 52.694 97 HE21 GLN 14 1HE2 GLN 14 -21.597 47.853 53.708 98 HE22 GLN 14 2HE2 GLN 14 -20.490 48.569 54.860 99 H GLU 15 H GLU 15 -22.860 42.651 52.875 100 HA GLU 15 HA GLU 15 -21.862 41.159 55.145 101 HB2 GLU 15 1HB GLU 15 -24.660 41.115 54.535 102 HB3 GLU 15 2HB GLU 15 -24.014 39.615 53.888 103 HG2 GLU 15 1HG GLU 15 -23.715 40.666 56.741 104 HG3 GLU 15 2HG GLU 15 -24.751 39.339 56.220 105 H LYS 16 H LYS 16 -21.794 38.707 54.136 106 HA LYS 16 HA LYS 16 -19.729 38.885 52.128 107 HB2 LYS 16 1HB LYS 16 -21.166 36.586 53.536 108 HB3 LYS 16 2HB LYS 16 -19.785 36.341 52.464 109 HG2 LYS 16 1HG LYS 16 -18.318 37.632 53.883 110 HG3 LYS 16 2HG LYS 16 -19.625 38.119 54.948 111 HD2 LYS 16 1HD LYS 16 -18.713 35.240 54.524 112 HD3 LYS 16 2HD LYS 16 -18.181 36.271 55.854 113 HE2 LYS 16 1HE LYS 16 -21.070 35.450 55.345 114 HE3 LYS 16 2HE LYS 16 -19.978 34.677 56.513 115 HZ1 LYS 16 3HZ LYS 16 -19.877 37.001 57.556 116 HZ2 LYS 16 1HZ LYS 16 -21.369 36.266 57.618 117 HZ3 LYS 16 2HZ LYS 16 -21.104 37.414 56.572 118 HA PRO 17 HA PRO 17 -22.268 38.119 48.593 119 HB2 PRO 17 1HB PRO 17 -20.573 36.881 46.841 120 HB3 PRO 17 2HB PRO 17 -20.316 38.576 47.367 121 HG2 PRO 17 1HG PRO 17 -19.020 36.059 48.484 122 HG3 PRO 17 2HG PRO 17 -18.220 37.576 47.959 123 HD2 PRO 17 1HD PRO 17 -18.840 37.103 50.575 124 HD3 PRO 17 2HD PRO 17 -18.951 38.743 49.870 125 H ALA 18 H ALA 18 -23.133 36.334 47.191 126 HA ALA 18 HA ALA 18 -23.861 34.041 48.782 127 HB1 ALA 18 1HB ALA 18 -25.431 35.143 47.192 128 HB2 ALA 18 2HB ALA 18 -24.377 34.670 45.833 129 HB3 ALA 18 3HB ALA 18 -25.205 33.429 46.792 130 H LEU 19 H LEU 19 -23.733 31.814 47.859 131 HA LEU 19 HA LEU 19 -20.982 31.226 46.909 132 HB2 LEU 19 1HB LEU 19 -23.069 29.701 48.514 133 HB3 LEU 19 2HB LEU 19 -21.828 28.823 47.660 134 HG LEU 19 HG LEU 19 -21.252 29.097 49.979 135 HD11 LEU 19 1HD1 LEU 19 -19.450 28.953 48.274 136 HD12 LEU 19 2HD1 LEU 19 -18.961 29.817 49.739 137 HD13 LEU 19 3HD1 LEU 19 -19.334 30.728 48.270 138 HD21 LEU 19 3HD2 LEU 19 -21.026 32.101 49.545 139 HD22 LEU 19 1HD2 LEU 19 -20.682 31.195 51.024 140 HD23 LEU 19 2HD2 LEU 19 -22.343 31.293 50.424 141 H LEU 20 H LEU 20 -20.913 29.124 45.547 142 HA LEU 20 HA LEU 20 -23.038 29.090 43.503 143 HB2 LEU 20 1HB LEU 20 -21.290 28.816 41.812 144 HB3 LEU 20 2HB LEU 20 -21.241 30.368 42.616 145 HG LEU 20 HG LEU 20 -19.287 29.549 43.992 146 HD11 LEU 20 1HD1 LEU 20 -17.969 27.624 43.034 147 HD12 LEU 20 2HD1 LEU 20 -19.399 27.164 42.087 148 HD13 LEU 20 3HD1 LEU 20 -19.429 27.123 43.870 149 HD21 LEU 20 3HD2 LEU 20 -17.677 29.817 42.155 150 HD22 LEU 20 1HD2 LEU 20 -19.027 30.946 41.978 151 HD23 LEU 20 2HD2 LEU 20 -18.957 29.486 40.965 152 H PHE 21 H PHE 21 -22.509 27.002 42.037 153 HA PHE 21 HA PHE 21 -22.048 24.693 43.823 154 HB2 PHE 21 1HB PHE 21 -23.894 23.613 42.431 155 HB3 PHE 21 2HB PHE 21 -24.388 24.846 43.572 156 HD1 PHE 21 2HD PHE 21 -23.779 24.180 39.935 157 HD2 PHE 21 1HD PHE 21 -25.504 26.854 42.853 158 HE1 PHE 21 2HE PHE 21 -24.913 25.428 38.128 159 HE2 PHE 21 1HE PHE 21 -26.635 28.100 41.035 160 HZ PHE 21 HZ PHE 21 -26.343 27.394 38.668 161 HA PRO 22 HA PRO 22 -19.274 23.481 40.599 162 HB2 PRO 22 1HB PRO 22 -19.198 20.756 40.756 163 HB3 PRO 22 2HB PRO 22 -18.612 21.801 42.088 164 HG2 PRO 22 1HG PRO 22 -21.337 20.484 41.822 165 HG3 PRO 22 2HG PRO 22 -20.227 20.443 43.230 166 HD2 PRO 22 1HD PRO 22 -22.291 22.218 43.054 167 HD3 PRO 22 2HD PRO 22 -20.735 22.674 43.810 168 H GLY 23 H GLY 23 -19.084 22.287 38.523 169 HA2 GLY 23 1HA GLY 23 -21.698 22.052 37.117 170 HA3 GLY 23 2HA GLY 23 -20.134 22.458 36.387 171 H MET 24 H MET 24 -21.566 20.472 35.215 172 HA MET 24 HA MET 24 -20.763 17.847 36.254 173 HB2 MET 24 1HB MET 24 -22.207 18.697 33.698 174 HB3 MET 24 2HB MET 24 -21.897 17.021 34.174 175 HG2 MET 24 1HG MET 24 -23.178 17.380 36.271 176 HG3 MET 24 2HG MET 24 -23.560 19.024 35.745 177 HE1 MET 24 3HE MET 24 -25.749 16.906 36.664 178 HE2 MET 24 1HE MET 24 -26.132 18.562 36.133 179 HE3 MET 24 2HE MET 24 -27.002 17.178 35.432 180 H ALA 25 H ALA 25 -19.593 16.311 34.806 181 HA ALA 25 HA ALA 25 -17.736 17.422 32.819 182 HB1 ALA 25 1HB ALA 25 -16.874 16.109 35.445 183 HB2 ALA 25 2HB ALA 25 -15.813 16.374 34.045 184 HB3 ALA 25 3HB ALA 25 -16.502 17.764 34.903 185 H ALA 26 H ALA 26 -19.321 16.139 31.611 186 HA ALA 26 HA ALA 26 -19.599 13.293 32.124 187 HB1 ALA 26 1HB ALA 26 -20.521 15.007 29.777 188 HB2 ALA 26 2HB ALA 26 -21.065 13.355 30.153 189 HB3 ALA 26 3HB ALA 26 -21.442 14.687 31.263 190 H SER 27 H SER 27 -19.446 11.879 30.020 191 HA SER 27 HA SER 27 -16.678 11.470 29.520 192 HB2 SER 27 1HB SER 27 -18.446 9.730 29.656 193 HB3 SER 27 2HB SER 27 -19.135 10.348 28.150 194 HG SER 27 HG SER 27 -17.683 8.482 28.034 195 H THR 28 H THR 28 -15.839 11.210 27.237 196 HA THR 28 HA THR 28 -16.735 13.378 25.378 197 HB THR 28 HB THR 28 -14.250 13.792 25.030 198 HG1 THR 28 1HG THR 28 -14.103 12.181 27.342 199 HG21 THR 28 3HG2 THR 28 -15.459 14.551 27.704 200 HG22 THR 28 1HG2 THR 28 -15.814 15.316 26.153 201 HG23 THR 28 2HG2 THR 28 -14.178 15.421 26.825 202 H VAL 29 H VAL 29 -15.263 13.236 23.314 203 HA VAL 29 HA VAL 29 -16.248 11.066 21.873 204 HB VAL 29 HB VAL 29 -15.568 13.297 21.012 205 HG11 VAL 29 1HG1 VAL 29 -13.356 13.464 22.186 206 HG12 VAL 29 2HG1 VAL 29 -12.702 12.267 21.057 207 HG13 VAL 29 3HG1 VAL 29 -13.281 13.826 20.449 208 HG21 VAL 29 3HG2 VAL 29 -15.926 11.345 19.517 209 HG22 VAL 29 1HG2 VAL 29 -14.820 12.562 18.859 210 HG23 VAL 29 2HG2 VAL 29 -14.172 11.045 19.520 211 H GLN 30 H GLN 30 -15.304 9.242 21.021 212 HA GLN 30 HA GLN 30 -13.511 7.871 22.796 213 HB2 GLN 30 1HB GLN 30 -14.751 6.996 20.168 214 HB3 GLN 30 2HB GLN 30 -13.903 5.945 21.315 215 HG2 GLN 30 1HG GLN 30 -15.595 6.624 23.076 216 HG3 GLN 30 2HG GLN 30 -16.503 7.453 21.811 217 HE21 GLN 30 1HE2 GLN 30 -15.189 4.259 22.761 218 HE22 GLN 30 2HE2 GLN 30 -16.454 3.310 22.013 219 H VAL 31 H VAL 31 -11.992 6.292 21.220 220 HA VAL 31 HA VAL 31 -9.616 7.708 20.953 221 HB VAL 31 HB VAL 31 -8.727 5.626 20.089 222 HG11 VAL 31 1HG1 VAL 31 -10.892 4.942 22.116 223 HG12 VAL 31 2HG1 VAL 31 -9.333 4.142 21.855 224 HG13 VAL 31 3HG1 VAL 31 -9.374 5.794 22.502 225 HG21 VAL 31 3HG2 VAL 31 -10.402 5.056 18.410 226 HG22 VAL 31 1HG2 VAL 31 -10.248 3.712 19.557 227 HG23 VAL 31 2HG2 VAL 31 -11.637 4.814 19.648 228 H ALA 32 H ALA 32 -8.172 7.501 19.055 229 HA ALA 32 HA ALA 32 -9.256 9.005 16.838 230 HB1 ALA 32 1HB ALA 32 -6.483 8.125 17.744 231 HB2 ALA 32 2HB ALA 32 -6.732 8.988 16.231 232 HB3 ALA 32 3HB ALA 32 -7.182 9.738 17.768 233 H GLY 33 H GLY 33 -8.291 8.401 14.607 234 HA2 GLY 33 1HA GLY 33 -9.404 5.834 13.844 235 HA3 GLY 33 2HA GLY 33 -8.616 7.033 12.796 236 H ARG 34 H ARG 34 -6.202 7.124 12.832 237 HA ARG 34 HA ARG 34 -4.617 5.100 14.078 238 HB2 ARG 34 1HB ARG 34 -3.890 4.030 11.866 239 HB3 ARG 34 2HB ARG 34 -5.452 3.525 12.487 240 HG2 ARG 34 1HG ARG 34 -6.618 4.824 10.819 241 HG3 ARG 34 2HG ARG 34 -5.152 5.695 10.357 242 HD2 ARG 34 1HD ARG 34 -5.661 3.966 8.708 243 HD3 ARG 34 2HD ARG 34 -4.143 3.592 9.537 244 HE ARG 34 HE ARG 34 -6.534 2.377 10.715 245 HH11 ARG 34 1HH1 ARG 34 -4.096 1.918 8.133 246 HH12 ARG 34 2HH1 ARG 34 -4.245 0.189 8.181 247 HH21 ARG 34 1HH2 ARG 34 -6.713 0.132 10.666 248 HH22 ARG 34 2HH2 ARG 34 -5.755 -0.838 9.568 249 H LYS 35 H LYS 35 -2.326 5.222 13.194 250 HA LYS 35 HA LYS 35 -1.551 7.410 11.493 251 HB2 LYS 35 1HB LYS 35 -0.366 8.759 13.106 252 HB3 LYS 35 2HB LYS 35 -2.089 8.734 13.506 253 HG2 LYS 35 1HG LYS 35 -1.618 6.951 15.191 254 HG3 LYS 35 2HG LYS 35 0.106 7.133 14.869 255 HD2 LYS 35 1HD LYS 35 -1.749 9.241 16.072 256 HD3 LYS 35 2HD LYS 35 -0.501 8.317 16.891 257 HE2 LYS 35 1HE LYS 35 0.599 10.311 16.587 258 HE3 LYS 35 2HE LYS 35 1.155 9.389 15.193 259 HZ1 LYS 35 3HZ LYS 35 -0.609 10.613 13.888 260 HZ2 LYS 35 1HZ LYS 35 0.560 11.559 14.469 261 HZ3 LYS 35 2HZ LYS 35 -0.908 11.507 15.213 262 H ASP 36 H ASP 36 0.949 7.603 11.632 263 HA ASP 36 HA ASP 36 2.918 6.762 11.330 264 HB2 ASP 36 1HB ASP 36 2.326 6.350 13.942 265 HB3 ASP 36 2HB ASP 36 2.841 4.727 13.500 266 H TYR 37 H TYR 37 0.815 5.219 9.897 267 HA TYR 37 HA TYR 37 1.403 2.562 9.601 268 HB2 TYR 37 1HB TYR 37 0.922 3.688 6.984 269 HB3 TYR 37 2HB TYR 37 -0.075 2.675 7.993 270 HD1 TYR 37 2HD TYR 37 -1.165 4.008 10.130 271 HD2 TYR 37 1HD TYR 37 -0.077 5.702 6.302 272 HE1 TYR 37 2HE TYR 37 -2.858 5.766 10.412 273 HE2 TYR 37 1HE TYR 37 -1.760 7.506 6.618 274 HH TYR 37 HH TYR 37 -4.289 7.247 8.416 275 HA PRO 38 HA PRO 38 4.865 3.321 6.390 276 HB2 PRO 38 1HB PRO 38 6.150 5.773 6.288 277 HB3 PRO 38 2HB PRO 38 4.776 5.307 5.246 278 HG2 PRO 38 1HG PRO 38 4.714 6.865 7.847 279 HG3 PRO 38 2HG PRO 38 3.900 7.263 6.294 280 HD2 PRO 38 1HD PRO 38 2.523 6.041 8.271 281 HD3 PRO 38 2HD PRO 38 2.317 5.523 6.586 282 H ALA 39 H ALA 39 6.216 2.046 7.551 283 HA ALA 39 HA ALA 39 8.162 3.197 9.398 284 HB1 ALA 39 1HB ALA 39 6.196 2.677 10.882 285 HB2 ALA 39 2HB ALA 39 6.295 0.985 10.369 286 HB3 ALA 39 3HB ALA 39 7.634 1.711 11.269 287 H LEU 40 H LEU 40 9.768 1.617 10.021 288 HA LEU 40 HA LEU 40 10.812 0.181 7.814 289 HB2 LEU 40 1HB LEU 40 11.567 0.038 10.758 290 HB3 LEU 40 2HB LEU 40 12.573 -0.507 9.416 291 HG LEU 40 HG LEU 40 11.714 2.386 9.894 292 HD11 LEU 40 1HD1 LEU 40 14.328 0.960 10.524 293 HD12 LEU 40 2HD1 LEU 40 13.153 1.603 11.691 294 HD13 LEU 40 3HD1 LEU 40 14.041 2.717 10.652 295 HD21 LEU 40 3HD2 LEU 40 13.443 2.950 8.265 296 HD22 LEU 40 1HD2 LEU 40 12.230 1.918 7.513 297 HD23 LEU 40 2HD2 LEU 40 13.806 1.233 7.996 298 H LEU 41 H LEU 41 9.092 -1.313 7.254 299 HA LEU 41 HA LEU 41 8.093 -3.360 8.895 300 HB2 LEU 41 1HB LEU 41 8.643 -3.386 5.922 301 HB3 LEU 41 2HB LEU 41 7.759 -4.669 6.719 302 HG LEU 41 HG LEU 41 6.859 -1.753 6.808 303 HD11 LEU 41 1HD1 LEU 41 5.220 -2.272 5.120 304 HD12 LEU 41 2HD1 LEU 41 5.747 -3.958 5.031 305 HD13 LEU 41 3HD1 LEU 41 6.818 -2.620 4.473 306 HD21 LEU 41 3HD2 LEU 41 4.670 -2.820 7.448 307 HD22 LEU 41 1HD2 LEU 41 5.932 -3.078 8.649 308 HD23 LEU 41 2HD2 LEU 41 5.487 -4.388 7.530 309 HA PRO 42 HA PRO 42 11.587 -5.910 9.695 310 HB2 PRO 42 1HB PRO 42 10.462 -8.386 10.128 311 HB3 PRO 42 2HB PRO 42 10.316 -7.006 11.254 312 HG2 PRO 42 1HG PRO 42 8.353 -7.910 9.152 313 HG3 PRO 42 2HG PRO 42 8.004 -7.490 10.850 314 HD2 PRO 42 1HD PRO 42 7.618 -5.742 8.806 315 HD3 PRO 42 2HD PRO 42 8.210 -5.142 10.375 316 H LEU 43 H LEU 43 13.103 -6.736 8.397 317 HA LEU 43 HA LEU 43 12.309 -8.213 5.918 318 HB2 LEU 43 1HB LEU 43 14.620 -6.281 6.415 319 HB3 LEU 43 2HB LEU 43 14.455 -7.338 5.006 320 HG LEU 43 HG LEU 43 12.717 -5.010 5.824 321 HD11 LEU 43 1HD1 LEU 43 14.339 -5.654 3.321 322 HD12 LEU 43 2HD1 LEU 43 14.843 -4.553 4.611 323 HD13 LEU 43 3HD1 LEU 43 13.438 -4.150 3.607 324 HD21 LEU 43 3HD2 LEU 43 11.404 -5.439 3.742 325 HD22 LEU 43 1HD2 LEU 43 11.088 -6.526 5.071 326 HD23 LEU 43 2HD2 LEU 43 12.093 -7.082 3.712 327 H ASN 44 H ASN 44 12.902 -10.259 5.882 328 HA ASN 44 HA ASN 44 14.711 -11.270 7.961 329 HB2 ASN 44 1HB ASN 44 12.765 -12.588 7.161 330 HB3 ASN 44 2HB ASN 44 13.508 -12.724 5.578 331 HD21 ASN 44 1HD2 ASN 44 13.699 -15.086 5.752 332 HD22 ASN 44 2HD2 ASN 44 14.929 -15.781 6.779 333 H GLU 45 H GLU 45 16.824 -10.581 7.637 334 HA GLU 45 HA GLU 45 18.040 -10.143 5.132 335 HB2 GLU 45 1HB GLU 45 20.118 -10.036 6.313 336 HB3 GLU 45 2HB GLU 45 18.851 -9.291 7.280 337 HG2 GLU 45 1HG GLU 45 18.671 -11.634 8.439 338 HG3 GLU 45 2HG GLU 45 20.239 -11.950 7.702 339 H SER 46 H SER 46 17.551 -13.200 6.872 340 HA SER 46 HA SER 46 19.379 -14.738 5.318 341 HB2 SER 46 1HB SER 46 16.942 -15.761 6.788 342 HB3 SER 46 2HB SER 46 18.458 -16.607 6.448 343 HG SER 46 HG SER 46 18.304 -15.945 8.587 344 H GLU 47 H GLU 47 16.536 -13.241 4.313 345 HA GLU 47 HA GLU 47 15.916 -15.261 2.222 346 HB2 GLU 47 1HB GLU 47 14.210 -14.500 4.138 347 HB3 GLU 47 2HB GLU 47 14.051 -13.080 3.156 348 HG2 GLU 47 1HG GLU 47 12.317 -14.346 2.367 349 HG3 GLU 47 2HG GLU 47 13.544 -14.811 1.205 350 H LEU 48 H LEU 48 17.601 -12.452 2.729 351 HA LEU 48 HA LEU 48 16.719 -11.115 0.231 352 HB2 LEU 48 1HB LEU 48 18.628 -10.052 2.344 353 HB3 LEU 48 2HB LEU 48 18.025 -9.201 0.929 354 HG LEU 48 HG LEU 48 16.597 -9.851 3.487 355 HD11 LEU 48 1HD1 LEU 48 16.057 -7.467 3.380 356 HD12 LEU 48 2HD1 LEU 48 16.887 -7.330 1.823 357 HD13 LEU 48 3HD1 LEU 48 17.809 -7.746 3.289 358 HD21 LEU 48 3HD2 LEU 48 14.926 -10.587 1.913 359 HD22 LEU 48 1HD2 LEU 48 15.165 -9.143 0.897 360 HD23 LEU 48 2HD2 LEU 48 14.458 -9.013 2.527 361 H GLU 49 H GLU 49 18.850 -9.998 -0.863 362 HA GLU 49 HA GLU 49 21.064 -11.928 -1.003 363 HB2 GLU 49 1HB GLU 49 20.996 -12.036 -3.415 364 HB3 GLU 49 2HB GLU 49 19.425 -12.582 -2.809 365 HG2 GLU 49 1HG GLU 49 18.448 -10.365 -3.320 366 HG3 GLU 49 2HG GLU 49 20.031 -9.779 -3.832 367 H GLU 50 H GLU 50 22.990 -10.924 -1.658 368 HA GLU 50 HA GLU 50 22.966 -8.038 -2.230 369 HB2 GLU 50 1HB GLU 50 24.351 -7.388 -0.499 370 HB3 GLU 50 2HB GLU 50 23.175 -8.417 0.304 371 HG2 GLU 50 1HG GLU 50 25.998 -9.261 -0.478 372 HG3 GLU 50 2HG GLU 50 25.506 -8.672 1.088 373 H GLN 51 H GLN 51 25.271 -7.322 -2.882 374 HA GLN 51 HA GLN 51 26.730 -9.595 -4.147 375 HB2 GLN 51 1HB GLN 51 26.099 -6.949 -5.507 376 HB3 GLN 51 2HB GLN 51 27.113 -8.245 -6.148 377 HG2 GLN 51 1HG GLN 51 25.103 -9.789 -5.998 378 HG3 GLN 51 2HG GLN 51 24.117 -8.367 -5.641 379 HE21 GLN 51 1HE2 GLN 51 24.171 -6.550 -7.363 380 HE22 GLN 51 2HE2 GLN 51 24.462 -7.040 -9.015 381 H PHE 52 H PHE 52 28.928 -8.655 -4.996 382 HA PHE 52 HA PHE 52 30.062 -6.814 -2.992 383 HB2 PHE 52 1HB PHE 52 31.280 -9.464 -3.802 384 HB3 PHE 52 2HB PHE 52 32.009 -8.272 -2.737 385 HD1 PHE 52 1HD PHE 52 29.191 -10.739 -3.031 386 HD2 PHE 52 2HD PHE 52 31.440 -8.174 -0.375 387 HE1 PHE 52 1HE PHE 52 28.099 -11.791 -1.084 388 HE2 PHE 52 2HE PHE 52 30.373 -9.283 1.571 389 HZ PHE 52 HZ PHE 52 28.691 -11.092 1.213 390 H VAL 53 H VAL 53 30.800 -5.171 -4.171 391 HA VAL 53 HA VAL 53 31.523 -5.548 -7.004 392 HB VAL 53 HB VAL 53 31.260 -3.068 -5.245 393 HG11 VAL 53 1HG1 VAL 53 31.909 -3.298 -8.221 394 HG12 VAL 53 2HG1 VAL 53 31.389 -1.811 -7.425 395 HG13 VAL 53 3HG1 VAL 53 32.930 -2.571 -6.959 396 HG21 VAL 53 3HG2 VAL 53 29.561 -4.084 -7.577 397 HG22 VAL 53 1HG2 VAL 53 29.101 -4.199 -5.872 398 HG23 VAL 53 2HG2 VAL 53 29.270 -2.612 -6.624 399 H LYS 54 H LYS 54 33.535 -5.592 -7.727 400 HA LYS 54 HA LYS 54 35.823 -5.194 -5.832 401 HB2 LYS 54 1HB LYS 54 35.448 -7.424 -7.853 402 HB3 LYS 54 2HB LYS 54 36.875 -7.172 -6.835 403 HG2 LYS 54 1HG LYS 54 35.568 -7.542 -4.794 404 HG3 LYS 54 2HG LYS 54 34.065 -7.629 -5.717 405 HD2 LYS 54 1HD LYS 54 34.952 -9.622 -6.928 406 HD3 LYS 54 2HD LYS 54 36.302 -9.644 -5.755 407 HE2 LYS 54 1HE LYS 54 34.689 -9.793 -3.885 408 HE3 LYS 54 2HE LYS 54 33.333 -9.592 -5.000 409 HZ1 LYS 54 3HZ LYS 54 33.861 -11.718 -5.973 410 HZ2 LYS 54 1HZ LYS 54 33.611 -11.878 -4.361 411 HZ3 LYS 54 2HZ LYS 54 35.144 -11.926 -4.954 412 H GLY 55 H GLY 55 34.423 -4.060 -8.738 413 HA2 GLY 55 1HA GLY 55 36.143 -2.212 -9.482 414 HA3 GLY 55 2HA GLY 55 36.905 -3.664 -10.190 415 H HIS 56 H HIS 56 36.401 -2.831 -12.311 416 HA HIS 56 HA HIS 56 33.768 -2.193 -13.223 417 HB2 HIS 56 1HB HIS 56 36.153 -1.713 -14.230 418 HB3 HIS 56 2HB HIS 56 36.025 -3.316 -14.937 419 HD1 HIS 56 1HD HIS 56 33.812 -3.496 -16.850 420 HD2 HIS 56 2HD HIS 56 35.059 0.267 -15.399 421 HE1 HIS 56 1HE HIS 56 32.916 -1.768 -18.455 422 H GLY 57 H GLY 57 32.563 -3.559 -14.878 423 HA2 GLY 57 1HA GLY 57 33.033 -6.429 -14.957 424 HA3 GLY 57 2HA GLY 57 31.617 -5.914 -14.008 425 HA PRO 58 HA PRO 58 30.541 -6.010 -18.584 426 HB2 PRO 58 1HB PRO 58 28.563 -7.900 -18.561 427 HB3 PRO 58 2HB PRO 58 30.299 -8.343 -18.609 428 HG2 PRO 58 1HG PRO 58 28.476 -8.208 -16.181 429 HG3 PRO 58 2HG PRO 58 29.582 -9.537 -16.662 430 HD2 PRO 58 1HD PRO 58 30.277 -7.619 -14.833 431 HD3 PRO 58 2HD PRO 58 31.477 -8.341 -15.947 432 H GLY 59 H GLY 59 28.308 -5.430 -19.488 433 HA2 GLY 59 1HA GLY 59 25.971 -4.815 -18.815 434 HA3 GLY 59 2HA GLY 59 26.695 -3.870 -17.505 435 H GLY 60 H GLY 60 28.834 -2.599 -18.645 436 HA2 GLY 60 1HA GLY 60 29.029 -1.534 -21.059 437 HA3 GLY 60 2HA GLY 60 27.546 -0.726 -20.519 438 H GLN 61 H GLN 61 27.782 1.072 -19.322 439 HA GLN 61 HA GLN 61 30.361 2.113 -18.637 440 HB2 GLN 61 1HB GLN 61 29.073 4.095 -17.904 441 HB3 GLN 61 2HB GLN 61 28.748 3.551 -19.541 442 HG2 GLN 61 1HG GLN 61 26.622 2.445 -18.702 443 HG3 GLN 61 2HG GLN 61 26.931 3.178 -17.128 444 HE21 GLN 61 1HE2 GLN 61 24.755 4.162 -17.502 445 HE22 GLN 61 2HE2 GLN 61 24.640 5.595 -18.514 446 H ALA 62 H ALA 62 30.662 0.024 -17.272 447 HA ALA 62 HA ALA 62 29.733 0.259 -14.478 448 HB1 ALA 62 1HB ALA 62 29.771 -1.956 -15.570 449 HB2 ALA 62 2HB ALA 62 31.517 -1.792 -15.838 450 HB3 ALA 62 3HB ALA 62 30.881 -1.894 -14.186 451 H THR 63 H THR 63 31.600 2.218 -15.886 452 HA THR 63 HA THR 63 34.196 2.243 -15.101 453 HB THR 63 HB THR 63 32.738 4.833 -15.331 454 HG1 THR 63 1HG THR 63 32.113 4.516 -17.424 455 HG21 THR 63 3HG2 THR 63 34.390 5.227 -17.112 456 HG22 THR 63 1HG2 THR 63 34.908 3.527 -17.036 457 HG23 THR 63 2HG2 THR 63 35.201 4.616 -15.661 458 H ASN 64 H ASN 64 32.112 1.914 -12.747 459 HA ASN 64 HA ASN 64 32.458 4.150 -10.975 460 HB2 ASN 64 1HB ASN 64 31.691 1.271 -10.338 461 HB3 ASN 64 2HB ASN 64 31.461 2.664 -9.291 462 HD21 ASN 64 1HD2 ASN 64 30.253 4.626 -10.904 463 HD22 ASN 64 2HD2 ASN 64 28.805 3.976 -11.605 464 H LYS 65 H LYS 65 34.614 4.686 -10.651 465 HA LYS 65 HA LYS 65 36.585 2.647 -10.057 466 HB2 LYS 65 1HB LYS 65 37.025 4.692 -11.383 467 HB3 LYS 65 2HB LYS 65 36.752 5.679 -9.962 468 HG2 LYS 65 1HG LYS 65 39.081 5.511 -10.508 469 HG3 LYS 65 2HG LYS 65 38.814 4.850 -8.926 470 HD2 LYS 65 1HD LYS 65 39.098 3.140 -11.433 471 HD3 LYS 65 2HD LYS 65 40.473 3.706 -10.511 472 HE2 LYS 65 1HE LYS 65 38.356 1.741 -9.570 473 HE3 LYS 65 2HE LYS 65 40.055 1.426 -9.932 474 HZ1 LYS 65 3HZ LYS 65 39.899 1.588 -7.590 475 HZ2 LYS 65 1HZ LYS 65 38.926 2.883 -7.660 476 HZ3 LYS 65 2HZ LYS 65 40.502 3.073 -8.023 477 H THR 66 H THR 66 34.145 3.650 -8.032 478 HA THR 66 HA THR 66 35.508 4.367 -5.655 479 HB THR 66 HB THR 66 33.343 3.364 -4.617 480 HG1 THR 66 1HG THR 66 32.710 2.048 -6.356 481 HG21 THR 66 3HG2 THR 66 32.047 5.299 -5.266 482 HG22 THR 66 1HG2 THR 66 33.007 5.521 -6.747 483 HG23 THR 66 2HG2 THR 66 33.744 5.781 -5.147 484 H SER 67 H SER 67 36.862 3.193 -4.393 485 HA SER 67 HA SER 67 37.374 0.413 -5.039 486 HB2 SER 67 1HB SER 67 38.579 2.280 -2.973 487 HB3 SER 67 2HB SER 67 39.229 0.701 -3.466 488 HG SER 67 HG SER 67 40.188 2.516 -4.554 489 H ASN 68 H ASN 68 34.875 1.644 -3.293 490 HA ASN 68 HA ASN 68 34.360 -0.782 -1.853 491 HB2 ASN 68 1HB ASN 68 33.800 0.446 0.278 492 HB3 ASN 68 2HB ASN 68 35.502 0.204 0.019 493 HD21 ASN 68 1HD2 ASN 68 36.881 2.069 -0.035 494 HD22 ASN 68 2HD2 ASN 68 36.221 3.683 0.051 495 H CYS 69 H CYS 69 32.131 -0.945 -1.606 496 HA CYS 69 HA CYS 69 30.117 0.992 -1.734 497 HB2 CYS 69 1HB CYS 69 30.701 1.456 -4.026 498 HB3 CYS 69 2HB CYS 69 30.905 -0.274 -4.397 499 HG CYS 69 HG CYS 69 28.856 0.549 -5.652 500 H VAL 70 H VAL 70 28.272 -0.210 -0.973 501 HA VAL 70 HA VAL 70 28.384 -3.188 -1.230 502 HB VAL 70 HB VAL 70 27.570 -1.525 1.168 503 HG11 VAL 70 1HG1 VAL 70 25.827 -3.259 0.851 504 HG12 VAL 70 2HG1 VAL 70 27.077 -4.503 0.665 505 HG13 VAL 70 3HG1 VAL 70 26.855 -3.668 2.215 506 HG21 VAL 70 3HG2 VAL 70 29.580 -3.775 0.681 507 HG22 VAL 70 1HG2 VAL 70 29.946 -2.108 1.118 508 HG23 VAL 70 2HG2 VAL 70 29.140 -3.183 2.284 509 H VAL 71 H VAL 71 26.853 -3.791 -2.670 510 HA VAL 71 HA VAL 71 24.427 -2.098 -2.854 511 HB VAL 71 HB VAL 71 25.901 -2.199 -4.834 512 HG11 VAL 71 1HG1 VAL 71 25.895 -4.115 -6.305 513 HG12 VAL 71 2HG1 VAL 71 26.577 -4.589 -4.739 514 HG13 VAL 71 3HG1 VAL 71 24.905 -5.047 -5.159 515 HG21 VAL 71 3HG2 VAL 71 24.056 -2.384 -6.397 516 HG22 VAL 71 1HG2 VAL 71 23.075 -3.270 -5.216 517 HG23 VAL 71 2HG2 VAL 71 23.524 -1.572 -4.929 518 H LEU 72 H LEU 72 22.460 -2.934 -2.621 519 HA LEU 72 HA LEU 72 22.090 -5.807 -1.957 520 HB2 LEU 72 1HB LEU 72 22.434 -4.421 0.114 521 HB3 LEU 72 2HB LEU 72 21.155 -3.335 -0.433 522 HG LEU 72 HG LEU 72 19.558 -5.346 -0.287 523 HD11 LEU 72 1HD1 LEU 72 21.752 -6.498 1.497 524 HD12 LEU 72 2HD1 LEU 72 21.437 -7.057 -0.153 525 HD13 LEU 72 3HD1 LEU 72 20.186 -7.221 1.078 526 HD21 LEU 72 3HD2 LEU 72 20.910 -4.386 2.265 527 HD22 LEU 72 1HD2 LEU 72 19.277 -5.071 2.130 528 HD23 LEU 72 2HD2 LEU 72 19.648 -3.509 1.382 529 H LYS 73 H LYS 73 19.897 -6.517 -2.499 530 HA LYS 73 HA LYS 73 18.153 -4.516 -3.751 531 HB2 LYS 73 1HB LYS 73 17.790 -5.604 -5.770 532 HB3 LYS 73 2HB LYS 73 19.534 -5.658 -5.589 533 HG2 LYS 73 1HG LYS 73 19.186 -7.797 -6.276 534 HG3 LYS 73 2HG LYS 73 19.011 -8.039 -4.549 535 HD2 LYS 73 1HD LYS 73 17.042 -9.091 -5.064 536 HD3 LYS 73 2HD LYS 73 16.407 -7.480 -5.353 537 HE2 LYS 73 1HE LYS 73 15.789 -8.571 -7.281 538 HE3 LYS 73 2HE LYS 73 17.250 -7.698 -7.750 539 HZ1 LYS 73 3HZ LYS 73 18.393 -9.947 -7.217 540 HZ2 LYS 73 1HZ LYS 73 17.516 -9.804 -8.617 541 HZ3 LYS 73 2HZ LYS 73 16.908 -10.597 -7.323 542 H HIS 74 H HIS 74 15.944 -5.315 -3.926 543 HA HIS 74 HA HIS 74 15.345 -7.219 -1.710 544 HB2 HIS 74 1HB HIS 74 14.567 -4.661 -1.869 545 HB3 HIS 74 2HB HIS 74 13.315 -5.329 -2.899 546 HD1 HIS 74 1HD HIS 74 11.174 -5.840 -1.340 547 HD2 HIS 74 2HD HIS 74 14.952 -6.482 0.493 548 HE1 HIS 74 1HE HIS 74 10.753 -6.477 1.056 549 H VAL 75 H VAL 75 14.657 -9.211 -2.382 550 HA VAL 75 HA VAL 75 14.195 -9.903 -5.086 551 HB VAL 75 HB VAL 75 13.794 -11.211 -2.395 552 HG11 VAL 75 1HG1 VAL 75 11.905 -12.140 -3.688 553 HG12 VAL 75 2HG1 VAL 75 13.002 -12.516 -5.030 554 HG13 VAL 75 3HG1 VAL 75 13.178 -13.335 -3.468 555 HG21 VAL 75 3HG2 VAL 75 16.067 -11.010 -3.534 556 HG22 VAL 75 1HG2 VAL 75 15.554 -12.656 -3.121 557 HG23 VAL 75 2HG2 VAL 75 15.434 -12.080 -4.788 558 HA PRO 76 HA PRO 76 9.475 -9.864 -4.318 559 HB2 PRO 76 1HB PRO 76 8.380 -8.744 -2.056 560 HB3 PRO 76 2HB PRO 76 8.962 -10.432 -2.149 561 HG2 PRO 76 1HG PRO 76 10.558 -8.034 -1.263 562 HG3 PRO 76 2HG PRO 76 10.218 -9.535 -0.293 563 HD2 PRO 76 1HD PRO 76 12.474 -9.324 -1.615 564 HD3 PRO 76 2HD PRO 76 11.527 -10.829 -1.828 565 H SER 77 H SER 77 11.410 -7.040 -3.773 566 HA SER 77 HA SER 77 9.167 -5.354 -4.876 567 HB2 SER 77 1HB SER 77 11.341 -4.315 -3.057 568 HB3 SER 77 2HB SER 77 9.853 -3.508 -3.569 569 HG SER 77 HG SER 77 8.709 -5.165 -2.462 570 H GLY 78 H GLY 78 12.230 -6.551 -5.537 571 HA2 GLY 78 1HA GLY 78 13.671 -6.211 -7.269 572 HA3 GLY 78 2HA GLY 78 12.425 -5.215 -8.038 573 H ILE 79 H ILE 79 12.902 -3.670 -5.218 574 HA ILE 79 HA ILE 79 14.277 -1.434 -6.237 575 HB ILE 79 HB ILE 79 14.129 -2.239 -3.308 576 HG12 ILE 79 1HG1 ILE 79 11.949 -0.748 -4.833 577 HG13 ILE 79 2HG1 ILE 79 11.863 -2.423 -4.323 578 HG21 ILE 79 1HG2 ILE 79 14.170 0.516 -4.630 579 HG22 ILE 79 2HG2 ILE 79 14.138 0.191 -2.894 580 HG23 ILE 79 3HG2 ILE 79 15.550 -0.252 -3.812 581 HD11 ILE 79 3HD1 ILE 79 12.274 -1.609 -1.920 582 HD12 ILE 79 1HD1 ILE 79 11.852 0.008 -2.554 583 HD13 ILE 79 2HD1 ILE 79 10.691 -1.323 -2.657 584 H VAL 80 H VAL 80 16.463 -0.823 -6.178 585 HA VAL 80 HA VAL 80 18.415 -2.711 -4.966 586 HB VAL 80 HB VAL 80 18.847 -1.097 -7.508 587 HG11 VAL 80 1HG1 VAL 80 20.905 -1.713 -6.304 588 HG12 VAL 80 2HG1 VAL 80 20.393 -3.415 -6.267 589 HG13 VAL 80 3HG1 VAL 80 20.774 -2.620 -7.807 590 HG21 VAL 80 3HG2 VAL 80 17.138 -2.721 -8.088 591 HG22 VAL 80 1HG2 VAL 80 18.680 -3.220 -8.776 592 HG23 VAL 80 2HG2 VAL 80 18.069 -4.025 -7.312 593 H VAL 81 H VAL 81 20.093 -1.645 -3.858 594 HA VAL 81 HA VAL 81 20.320 1.247 -4.052 595 HB VAL 81 HB VAL 81 18.424 0.878 -2.429 596 HG11 VAL 81 1HG1 VAL 81 19.308 -1.130 -1.237 597 HG12 VAL 81 2HG1 VAL 81 20.562 -0.112 -0.497 598 HG13 VAL 81 3HG1 VAL 81 18.837 0.212 -0.172 599 HG21 VAL 81 3HG2 VAL 81 19.762 2.946 -2.497 600 HG22 VAL 81 1HG2 VAL 81 19.157 2.577 -0.877 601 HG23 VAL 81 2HG2 VAL 81 20.861 2.273 -1.268 602 H LYS 82 H LYS 82 22.240 1.993 -3.517 603 HA LYS 82 HA LYS 82 24.292 0.089 -2.562 604 HB2 LYS 82 1HB LYS 82 25.775 1.502 -4.209 605 HB3 LYS 82 2HB LYS 82 25.076 -0.032 -4.602 606 HG2 LYS 82 1HG LYS 82 23.761 2.552 -5.444 607 HG3 LYS 82 2HG LYS 82 25.063 1.745 -6.338 608 HD2 LYS 82 1HD LYS 82 23.711 -0.241 -6.627 609 HD3 LYS 82 2HD LYS 82 22.306 0.601 -5.953 610 HE2 LYS 82 1HE LYS 82 23.941 1.293 -8.445 611 HE3 LYS 82 2HE LYS 82 22.346 0.539 -8.428 612 HZ1 LYS 82 3HZ LYS 82 22.164 2.868 -8.883 613 HZ2 LYS 82 1HZ LYS 82 22.964 3.283 -7.523 614 HZ3 LYS 82 2HZ LYS 82 21.476 2.572 -7.423 615 H CYS 83 H CYS 83 25.024 0.779 -0.727 616 HA CYS 83 HA CYS 83 24.860 3.654 -0.006 617 HB2 CYS 83 1HB CYS 83 24.998 2.885 2.311 618 HB3 CYS 83 2HB CYS 83 23.665 2.077 1.468 619 HG CYS 83 HG CYS 83 24.676 -0.161 1.161 620 H HIS 84 H HIS 84 26.614 4.456 1.469 621 HA HIS 84 HA HIS 84 29.257 3.309 1.289 622 HB2 HIS 84 1HB HIS 84 30.305 5.204 0.168 623 HB3 HIS 84 2HB HIS 84 29.180 4.415 -0.921 624 HD1 HIS 84 1HD HIS 84 30.159 7.835 -0.183 625 HD2 HIS 84 2HD HIS 84 26.477 5.793 -0.588 626 HE1 HIS 84 1HE HIS 84 28.373 9.596 -0.499 627 H GLN 85 H GLN 85 30.045 3.737 3.354 628 HA GLN 85 HA GLN 85 29.549 6.321 4.610 629 HB2 GLN 85 1HB GLN 85 27.643 4.544 5.134 630 HB3 GLN 85 2HB GLN 85 28.847 3.852 6.192 631 HG2 GLN 85 1HG GLN 85 28.358 6.815 6.456 632 HG3 GLN 85 2HG GLN 85 27.015 5.730 6.832 633 HE21 GLN 85 1HE2 GLN 85 30.434 6.462 7.710 634 HE22 GLN 85 2HE2 GLN 85 30.321 5.594 9.222 635 H THR 86 H THR 86 30.822 2.959 5.009 636 HA THR 86 HA THR 86 33.366 4.071 6.082 637 HB THR 86 HB THR 86 33.520 2.213 7.601 638 HG1 THR 86 1HG THR 86 31.056 1.319 6.485 639 HG21 THR 86 3HG2 THR 86 32.181 4.172 8.398 640 HG22 THR 86 1HG2 THR 86 31.803 2.652 9.209 641 HG23 THR 86 2HG2 THR 86 30.697 3.271 7.972 642 H ARG 87 H ARG 87 34.831 1.722 5.987 643 HA ARG 87 HA ARG 87 34.509 0.810 3.153 644 HB2 ARG 87 1HB ARG 87 36.788 0.681 2.820 645 HB3 ARG 87 2HB ARG 87 36.416 2.306 3.365 646 HG2 ARG 87 1HG ARG 87 37.572 0.145 5.186 647 HG3 ARG 87 2HG ARG 87 38.552 1.224 4.200 648 HD2 ARG 87 1HD ARG 87 37.511 3.186 5.312 649 HD3 ARG 87 2HD ARG 87 36.746 2.073 6.478 650 HE ARG 87 HE ARG 87 39.435 1.394 6.456 651 HH11 ARG 87 1HH1 ARG 87 37.534 4.266 7.284 652 HH12 ARG 87 2HH1 ARG 87 38.713 4.927 8.364 653 HH21 ARG 87 1HH2 ARG 87 41.039 2.279 7.755 654 HH22 ARG 87 2HH2 ARG 87 40.789 3.681 8.723 655 H SER 88 H SER 88 33.721 -0.263 6.061 656 HA SER 88 HA SER 88 34.891 -2.975 5.724 657 HB2 SER 88 1HB SER 88 33.540 -1.522 8.042 658 HB3 SER 88 2HB SER 88 34.064 -3.220 8.070 659 HG SER 88 HG SER 88 36.147 -2.578 7.619 660 H VAL 89 H VAL 89 33.621 -4.277 4.504 661 HA VAL 89 HA VAL 89 30.990 -3.730 3.786 662 HB VAL 89 HB VAL 89 32.380 -5.136 2.470 663 HG11 VAL 89 1HG1 VAL 89 33.765 -6.290 4.114 664 HG12 VAL 89 2HG1 VAL 89 32.351 -7.173 4.735 665 HG13 VAL 89 3HG1 VAL 89 32.933 -7.467 3.095 666 HG21 VAL 89 3HG2 VAL 89 29.910 -5.504 2.372 667 HG22 VAL 89 1HG2 VAL 89 30.876 -6.900 1.883 668 HG23 VAL 89 2HG2 VAL 89 30.104 -6.876 3.478 669 H ASP 90 H ASP 90 32.161 -5.774 6.531 670 HA ASP 90 HA ASP 90 29.673 -6.759 7.343 671 HB2 ASP 90 1HB ASP 90 30.654 -7.116 9.524 672 HB3 ASP 90 2HB ASP 90 31.838 -7.502 8.273 673 H GLN 91 H GLN 91 31.003 -3.527 7.829 674 HA GLN 91 HA GLN 91 28.898 -2.801 9.755 675 HB2 GLN 91 1HB GLN 91 31.459 -1.982 9.521 676 HB3 GLN 91 2HB GLN 91 30.713 -0.848 8.379 677 HG2 GLN 91 1HG GLN 91 29.271 0.026 10.070 678 HG3 GLN 91 2HG GLN 91 29.690 -1.275 11.205 679 HE21 GLN 91 1HE2 GLN 91 30.179 0.445 12.754 680 HE22 GLN 91 2HE2 GLN 91 31.707 1.327 12.619 681 H ASN 92 H ASN 92 29.911 -1.984 6.404 682 HA ASN 92 HA ASN 92 27.733 -0.244 5.840 683 HB2 ASN 92 1HB ASN 92 29.488 -1.871 4.007 684 HB3 ASN 92 2HB ASN 92 28.286 -0.705 3.435 685 HD21 ASN 92 1HD2 ASN 92 31.158 -0.563 2.918 686 HD22 ASN 92 2HD2 ASN 92 31.723 0.896 3.645 687 H ARG 93 H ARG 93 27.889 -3.786 5.850 688 HA ARG 93 HA ARG 93 25.623 -4.368 4.283 689 HB2 ARG 93 1HB ARG 93 27.016 -5.744 6.609 690 HB3 ARG 93 2HB ARG 93 25.433 -6.321 6.095 691 HG2 ARG 93 1HG ARG 93 26.267 -6.545 3.758 692 HG3 ARG 93 2HG ARG 93 27.887 -6.168 4.295 693 HD2 ARG 93 1HD ARG 93 26.198 -8.457 5.386 694 HD3 ARG 93 2HD ARG 93 27.321 -8.613 4.033 695 HE ARG 93 HE ARG 93 29.164 -8.174 5.446 696 HH11 ARG 93 1HH1 ARG 93 26.231 -9.459 7.047 697 HH12 ARG 93 2HH1 ARG 93 27.156 -10.342 8.181 698 HH21 ARG 93 1HH2 ARG 93 30.275 -9.294 6.971 699 HH22 ARG 93 2HH2 ARG 93 29.489 -10.055 8.327 700 H LYS 94 H LYS 94 25.740 -3.273 7.767 701 HA LYS 94 HA LYS 94 22.820 -3.683 7.922 702 HB2 LYS 94 1HB LYS 94 22.827 -2.470 9.991 703 HB3 LYS 94 2HB LYS 94 23.965 -3.792 10.013 704 HG2 LYS 94 1HG LYS 94 25.833 -2.368 9.952 705 HG3 LYS 94 2HG LYS 94 24.911 -0.953 9.419 706 HD2 LYS 94 1HD LYS 94 24.456 -2.308 12.085 707 HD3 LYS 94 2HD LYS 94 25.667 -1.033 11.850 708 HE2 LYS 94 1HE LYS 94 24.010 0.610 11.292 709 HE3 LYS 94 2HE LYS 94 22.764 -0.615 11.024 710 HZ1 LYS 94 3HZ LYS 94 23.938 -0.015 13.668 711 HZ2 LYS 94 1HZ LYS 94 22.748 -1.091 13.343 712 HZ3 LYS 94 2HZ LYS 94 22.458 0.503 13.148 713 H ILE 95 H ILE 95 24.938 -1.089 6.895 714 HA ILE 95 HA ILE 95 23.050 1.042 7.042 715 HB ILE 95 HB ILE 95 25.463 0.769 5.209 716 HG12 ILE 95 1HG1 ILE 95 25.129 1.829 8.072 717 HG13 ILE 95 2HG1 ILE 95 26.058 0.410 7.585 718 HG21 ILE 95 1HG2 ILE 95 24.024 3.253 6.203 719 HG22 ILE 95 2HG2 ILE 95 25.437 3.214 5.138 720 HG23 ILE 95 3HG2 ILE 95 23.894 2.585 4.561 721 HD11 ILE 95 3HD1 ILE 95 26.727 3.284 7.135 722 HD12 ILE 95 1HD1 ILE 95 27.673 2.027 7.959 723 HD13 ILE 95 2HD1 ILE 95 27.504 1.977 6.195 724 H ALA 96 H ALA 96 23.985 -1.256 4.434 725 HA ALA 96 HA ALA 96 22.249 -0.204 2.452 726 HB1 ALA 96 1HB ALA 96 23.146 -3.097 2.909 727 HB2 ALA 96 2HB ALA 96 22.538 -2.391 1.391 728 HB3 ALA 96 3HB ALA 96 24.098 -1.860 2.078 729 H ARG 97 H ARG 97 21.741 -2.773 4.896 730 HA ARG 97 HA ARG 97 19.048 -3.411 4.099 731 HB2 ARG 97 1HB ARG 97 20.673 -3.819 6.640 732 HB3 ARG 97 2HB ARG 97 19.009 -4.378 6.475 733 HG2 ARG 97 1HG ARG 97 19.607 -5.706 4.472 734 HG3 ARG 97 2HG ARG 97 21.281 -5.157 4.566 735 HD2 ARG 97 1HD ARG 97 19.881 -6.568 6.856 736 HD3 ARG 97 2HD ARG 97 20.713 -7.447 5.568 737 HE ARG 97 HE ARG 97 22.641 -5.736 6.263 738 HH11 ARG 97 1HH1 ARG 97 20.561 -7.692 8.344 739 HH12 ARG 97 2HH1 ARG 97 21.840 -8.535 9.130 740 HH21 ARG 97 1HH2 ARG 97 24.367 -6.365 7.844 741 HH22 ARG 97 2HH2 ARG 97 23.973 -7.583 9.000 742 H LYS 98 H LYS 98 20.285 -1.247 6.718 743 HA LYS 98 HA LYS 98 17.689 -0.572 7.575 744 HB2 LYS 98 1HB LYS 98 18.644 1.001 9.012 745 HB3 LYS 98 2HB LYS 98 19.800 -0.289 8.877 746 HG2 LYS 98 1HG LYS 98 21.165 1.566 8.811 747 HG3 LYS 98 2HG LYS 98 20.941 1.210 7.124 748 HD2 LYS 98 1HD LYS 98 20.509 3.419 6.923 749 HD3 LYS 98 2HD LYS 98 18.894 2.977 7.432 750 HE2 LYS 98 1HE LYS 98 19.463 4.824 8.727 751 HE3 LYS 98 2HE LYS 98 19.553 3.447 9.825 752 HZ1 LYS 98 3HZ LYS 98 21.898 3.582 9.810 753 HZ2 LYS 98 1HZ LYS 98 21.378 5.147 9.885 754 HZ3 LYS 98 2HZ LYS 98 21.929 4.559 8.456 755 H VAL 99 H VAL 99 19.709 0.937 4.980 756 HA VAL 99 HA VAL 99 17.742 3.026 4.627 757 HB VAL 99 HB VAL 99 20.198 3.191 4.040 758 HG11 VAL 99 1HG1 VAL 99 20.540 1.157 2.789 759 HG12 VAL 99 2HG1 VAL 99 19.436 1.705 1.514 760 HG13 VAL 99 3HG1 VAL 99 20.952 2.571 1.822 761 HG21 VAL 99 3HG2 VAL 99 18.511 4.847 3.345 762 HG22 VAL 99 1HG2 VAL 99 19.776 4.677 2.119 763 HG23 VAL 99 2HG2 VAL 99 18.178 3.920 1.877 764 H LEU 100 H LEU 100 18.279 -0.238 3.164 765 HA LEU 100 HA LEU 100 16.391 0.061 1.107 766 HB2 LEU 100 1HB LEU 100 18.031 -1.764 1.204 767 HB3 LEU 100 2HB LEU 100 17.196 -2.464 2.597 768 HG LEU 100 HG LEU 100 15.201 -2.908 1.211 769 HD11 LEU 100 1HD1 LEU 100 16.844 -1.724 -1.089 770 HD12 LEU 100 2HD1 LEU 100 15.317 -1.077 -0.437 771 HD13 LEU 100 3HD1 LEU 100 15.322 -2.621 -1.269 772 HD21 LEU 100 3HD2 LEU 100 17.001 -4.591 1.341 773 HD22 LEU 100 1HD2 LEU 100 17.761 -3.885 -0.110 774 HD23 LEU 100 2HD2 LEU 100 16.171 -4.650 -0.215 775 H GLN 101 H GLN 101 15.918 -0.884 4.537 776 HA GLN 101 HA GLN 101 13.217 -1.692 4.341 777 HB2 GLN 101 1HB GLN 101 14.874 -0.460 6.570 778 HB3 GLN 101 2HB GLN 101 13.138 -0.770 6.783 779 HG2 GLN 101 1HG GLN 101 13.483 -3.099 6.173 780 HG3 GLN 101 2HG GLN 101 15.231 -2.853 6.077 781 HE21 GLN 101 1HE2 GLN 101 12.699 -3.721 8.123 782 HE22 GLN 101 2HE2 GLN 101 13.567 -3.648 9.614 783 H GLU 102 H GLU 102 14.572 1.614 4.408 784 HA GLU 102 HA GLU 102 12.085 2.977 4.865 785 HB2 GLU 102 1HB GLU 102 14.551 3.980 3.360 786 HB3 GLU 102 2HB GLU 102 13.296 4.948 4.136 787 HG2 GLU 102 1HG GLU 102 13.942 4.028 6.323 788 HG3 GLU 102 2HG GLU 102 15.234 3.092 5.588 789 H LYS 103 H LYS 103 13.672 1.644 2.094 790 HA LYS 103 HA LYS 103 11.965 2.962 0.108 791 HB2 LYS 103 1HB LYS 103 13.603 0.458 -0.408 792 HB3 LYS 103 2HB LYS 103 13.104 1.697 -1.557 793 HG2 LYS 103 1HG LYS 103 15.214 2.001 0.610 794 HG3 LYS 103 2HG LYS 103 15.520 1.723 -1.094 795 HD2 LYS 103 1HD LYS 103 14.402 3.871 -1.651 796 HD3 LYS 103 2HD LYS 103 14.147 4.165 0.092 797 HE2 LYS 103 1HE LYS 103 16.588 4.016 0.468 798 HE3 LYS 103 2HE LYS 103 16.845 3.740 -1.258 799 HZ1 LYS 103 3HZ LYS 103 15.818 6.178 0.056 800 HZ2 LYS 103 1HZ LYS 103 15.688 5.959 -1.580 801 HZ3 LYS 103 2HZ LYS 103 17.170 6.011 -0.850 802 H VAL 104 H VAL 104 12.235 -0.293 1.493 803 HA VAL 104 HA VAL 104 10.144 -1.452 -0.051 804 HB VAL 104 HB VAL 104 11.321 -2.251 2.639 805 HG11 VAL 104 1HG1 VAL 104 9.629 -3.830 0.641 806 HG12 VAL 104 2HG1 VAL 104 10.396 -4.497 2.093 807 HG13 VAL 104 3HG1 VAL 104 9.113 -3.310 2.261 808 HG21 VAL 104 3HG2 VAL 104 12.664 -3.821 1.321 809 HG22 VAL 104 1HG2 VAL 104 11.885 -3.286 -0.184 810 HG23 VAL 104 2HG2 VAL 104 12.958 -2.202 0.699 811 H ASP 105 H ASP 105 10.119 0.308 3.095 812 HA ASP 105 HA ASP 105 7.523 -0.176 3.952 813 HB2 ASP 105 1HB ASP 105 9.060 1.048 5.306 814 HB3 ASP 105 2HB ASP 105 9.320 2.265 4.059 815 H VAL 106 H VAL 106 8.455 2.750 2.084 816 HA VAL 106 HA VAL 106 5.804 3.417 1.425 817 HB VAL 106 HB VAL 106 7.715 4.951 1.528 818 HG11 VAL 106 1HG1 VAL 106 9.467 3.730 0.436 819 HG12 VAL 106 2HG1 VAL 106 8.597 3.778 -1.103 820 HG13 VAL 106 3HG1 VAL 106 9.211 5.277 -0.385 821 HG21 VAL 106 3HG2 VAL 106 7.036 6.437 -0.254 822 HG22 VAL 106 1HG2 VAL 106 6.271 5.084 -1.142 823 HG23 VAL 106 2HG2 VAL 106 5.617 5.620 0.419 824 H PHE 107 H PHE 107 7.988 1.154 -0.174 825 HA PHE 107 HA PHE 107 6.588 1.051 -2.693 826 HB2 PHE 107 1HB PHE 107 8.911 0.258 -2.303 827 HB3 PHE 107 2HB PHE 107 8.302 -1.047 -1.306 828 HD1 PHE 107 1HD PHE 107 6.780 -2.847 -2.353 829 HD2 PHE 107 2HD PHE 107 9.079 -0.016 -4.675 830 HE1 PHE 107 1HE PHE 107 6.600 -4.319 -4.326 831 HE2 PHE 107 2HE PHE 107 8.951 -1.539 -6.621 832 HZ PHE 107 HZ PHE 107 7.704 -3.672 -6.470 833 H TYR 108 H TYR 108 6.254 -0.734 0.404 834 HA TYR 108 HA TYR 108 4.301 -2.626 -0.630 835 HB2 TYR 108 1HB TYR 108 5.547 -1.949 2.032 836 HB3 TYR 108 2HB TYR 108 3.965 -2.694 2.057 837 HD1 TYR 108 1HD TYR 108 7.162 -3.242 0.088 838 HD2 TYR 108 2HD TYR 108 3.995 -4.959 2.439 839 HE1 TYR 108 1HE TYR 108 8.123 -5.514 -0.253 840 HE2 TYR 108 2HE TYR 108 4.938 -7.228 2.070 841 HH TYR 108 HH TYR 108 6.523 -8.496 0.884 842 H ASN 109 H ASN 109 4.195 0.370 1.296 843 HA ASN 109 HA ASN 109 1.370 0.387 1.724 844 HB2 ASN 109 1HB ASN 109 3.262 2.763 1.570 845 HB3 ASN 109 2HB ASN 109 1.645 2.771 2.260 846 HD21 ASN 109 1HD2 ASN 109 4.595 3.071 3.294 847 HD22 ASN 109 2HD2 ASN 109 4.710 2.050 4.663 848 H SER 110 H SER 110 3.352 2.175 -0.722 849 HA SER 110 HA SER 110 1.060 3.255 -2.057 850 HB2 SER 110 1HB SER 110 3.465 4.149 -1.901 851 HB3 SER 110 2HB SER 110 3.894 2.940 -3.127 852 HG SER 110 HG SER 110 3.435 4.981 -4.000 853 H GLY 111 H GLY 111 0.609 2.908 -4.347 854 HA2 GLY 111 1HA GLY 111 0.089 0.142 -4.988 855 HA3 GLY 111 2HA GLY 111 -0.288 1.571 -5.972 856 HA PRO 112 HA PRO 112 3.396 -0.847 -7.677 857 HB2 PRO 112 1HB PRO 112 2.368 -1.574 -10.132 858 HB3 PRO 112 2HB PRO 112 2.200 -2.555 -8.640 859 HG2 PRO 112 1HG PRO 112 0.224 -0.600 -9.826 860 HG3 PRO 112 2HG PRO 112 -0.095 -2.260 -9.219 861 HD2 PRO 112 1HD PRO 112 -0.583 -0.057 -7.694 862 HD3 PRO 112 2HD PRO 112 0.055 -1.555 -6.959 863 H SER 113 H SER 113 4.814 -0.097 -9.395 864 HA SER 113 HA SER 113 4.734 2.702 -9.762 865 HB2 SER 113 1HB SER 113 6.755 2.262 -11.149 866 HB3 SER 113 2HB SER 113 6.782 1.449 -9.584 867 HG SER 113 HG SER 113 7.439 0.039 -11.219 868 H SER 114 H SER 114 2.945 0.475 -11.460 869 HA SER 114 HA SER 114 3.073 1.599 -14.146 870 HB2 SER 114 1HB SER 114 2.774 -0.792 -13.646 871 HB3 SER 114 2HB SER 114 1.248 -0.454 -12.819 872 HG SER 114 HG SER 114 1.898 -0.258 -15.586 873 H GLY 115 H GLY 115 -0.152 1.000 -12.759 874 HA2 GLY 115 1HA GLY 115 -0.983 3.400 -11.726 875 HA3 GLY 115 2HA GLY 115 -1.070 3.623 -13.492 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -61.483 -62.962 -55.553 2 HA2 GLY 1 1HA GLY 1 -61.598 -60.532 -55.911 3 HA3 GLY 1 2HA GLY 1 -63.365 -60.712 -56.064 4 H SER 2 H SER 2 -62.426 -58.930 -54.093 5 HA SER 2 HA SER 2 -63.396 -60.136 -51.665 6 HB2 SER 2 1HB SER 2 -61.243 -59.101 -50.531 7 HB3 SER 2 2HB SER 2 -61.191 -60.739 -51.194 8 HG SER 2 HG SER 2 -59.414 -59.261 -51.775 9 H SER 3 H SER 3 -63.334 -58.152 -49.957 10 HA SER 3 HA SER 3 -63.397 -55.519 -51.041 11 HB2 SER 3 1HB SER 3 -65.618 -56.522 -51.821 12 HB3 SER 3 2HB SER 3 -66.040 -56.738 -50.110 13 HG SER 3 HG SER 3 -66.778 -54.742 -51.113 14 H GLY 4 H GLY 4 -64.220 -54.077 -49.067 15 HA2 GLY 4 1HA GLY 4 -64.546 -54.777 -46.478 16 HA3 GLY 4 2HA GLY 4 -62.785 -54.923 -46.697 17 H SER 5 H SER 5 -63.234 -53.023 -44.948 18 HA SER 5 HA SER 5 -62.531 -50.572 -46.231 19 HB2 SER 5 1HB SER 5 -65.086 -50.600 -46.350 20 HB3 SER 5 2HB SER 5 -65.096 -50.599 -44.576 21 HG SER 5 HG SER 5 -65.221 -48.502 -45.674 22 H SER 6 H SER 6 -62.037 -48.964 -44.395 23 HA SER 6 HA SER 6 -61.496 -50.219 -41.769 24 HB2 SER 6 1HB SER 6 -59.404 -48.786 -43.474 25 HB3 SER 6 2HB SER 6 -59.159 -49.447 -41.847 26 HG SER 6 HG SER 6 -58.409 -50.858 -43.522 27 H GLY 7 H GLY 7 -60.677 -48.429 -40.192 28 HA2 GLY 7 1HA GLY 7 -61.725 -45.736 -40.887 29 HA3 GLY 7 2HA GLY 7 -62.246 -46.578 -39.415 30 H LYS 8 H LYS 8 -60.688 -44.077 -39.774 31 HA LYS 8 HA LYS 8 -58.008 -44.762 -38.759 32 HB2 LYS 8 1HB LYS 8 -57.623 -42.278 -38.825 33 HB3 LYS 8 2HB LYS 8 -57.934 -43.062 -40.355 34 HG2 LYS 8 1HG LYS 8 -58.982 -40.903 -40.298 35 HG3 LYS 8 2HG LYS 8 -60.208 -42.155 -40.449 36 HD2 LYS 8 1HD LYS 8 -60.866 -41.879 -38.130 37 HD3 LYS 8 2HD LYS 8 -59.495 -40.780 -37.819 38 HE2 LYS 8 1HE LYS 8 -60.465 -39.138 -39.376 39 HE3 LYS 8 2HE LYS 8 -61.742 -40.277 -39.827 40 HZ1 LYS 8 3HZ LYS 8 -61.384 -39.103 -37.140 41 HZ2 LYS 8 1HZ LYS 8 -62.549 -40.189 -37.552 42 HZ3 LYS 8 2HZ LYS 8 -62.549 -38.692 -38.229 43 H TRP 9 H TRP 9 -57.129 -43.678 -36.831 44 HA TRP 9 HA TRP 9 -58.989 -42.952 -34.689 45 HB2 TRP 9 1HB TRP 9 -57.890 -44.566 -33.189 46 HB3 TRP 9 2HB TRP 9 -58.778 -45.355 -34.476 47 HD1 TRP 9 HD TRP 9 -57.360 -46.645 -36.369 48 HE1 TRP 9 1HE TRP 9 -55.014 -47.667 -36.338 49 HE3 TRP 9 3HE TRP 9 -55.523 -44.316 -32.211 50 HZ2 TRP 9 2HZ TRP 9 -52.620 -47.497 -34.707 51 HZ3 TRP 9 3HZ TRP 9 -53.204 -44.792 -31.415 52 HH2 TRP 9 HH TRP 9 -51.761 -46.377 -32.660 53 H GLY 10 H GLY 10 -57.211 -42.387 -32.700 54 HA2 GLY 10 1HA GLY 10 -54.684 -41.633 -32.960 55 HA3 GLY 10 2HA GLY 10 -55.399 -40.409 -33.997 56 H LEU 11 H LEU 11 -55.002 -41.542 -30.706 57 HA LEU 11 HA LEU 11 -56.592 -39.371 -29.509 58 HB2 LEU 11 1HB LEU 11 -54.819 -41.557 -28.321 59 HB3 LEU 11 2HB LEU 11 -55.572 -40.278 -27.382 60 HG LEU 11 HG LEU 11 -57.821 -41.043 -28.450 61 HD11 LEU 11 1HD1 LEU 11 -57.018 -42.670 -30.095 62 HD12 LEU 11 2HD1 LEU 11 -57.936 -43.504 -28.845 63 HD13 LEU 11 3HD1 LEU 11 -56.166 -43.581 -28.822 64 HD21 LEU 11 3HD2 LEU 11 -56.400 -42.752 -26.360 65 HD22 LEU 11 1HD2 LEU 11 -58.157 -42.659 -26.611 66 HD23 LEU 11 2HD2 LEU 11 -57.273 -41.236 -26.055 67 H ARG 12 H ARG 12 -55.230 -38.015 -27.695 68 HA ARG 12 HA ARG 12 -52.522 -37.476 -28.281 69 HB2 ARG 12 1HB ARG 12 -52.715 -35.274 -29.059 70 HB3 ARG 12 2HB ARG 12 -53.655 -36.224 -30.182 71 HG2 ARG 12 1HG ARG 12 -54.641 -34.341 -27.980 72 HG3 ARG 12 2HG ARG 12 -54.675 -34.051 -29.709 73 HD2 ARG 12 1HD ARG 12 -56.282 -36.126 -28.203 74 HD3 ARG 12 2HD ARG 12 -56.904 -34.626 -28.878 75 HE ARG 12 HE ARG 12 -56.133 -37.085 -30.327 76 HH11 ARG 12 1HH1 ARG 12 -57.112 -33.707 -30.678 77 HH12 ARG 12 2HH1 ARG 12 -57.573 -33.844 -32.332 78 HH21 ARG 12 1HH2 ARG 12 -56.810 -37.359 -32.438 79 HH22 ARG 12 2HH2 ARG 12 -57.334 -36.012 -33.399 80 H LEU 13 H LEU 13 -51.849 -35.598 -26.766 81 HA LEU 13 HA LEU 13 -53.642 -34.920 -24.609 82 HB2 LEU 13 1HB LEU 13 -51.924 -37.199 -24.351 83 HB3 LEU 13 2HB LEU 13 -51.027 -35.907 -23.607 84 HG LEU 13 HG LEU 13 -52.274 -37.152 -21.968 85 HD11 LEU 13 1HD1 LEU 13 -53.650 -34.447 -22.246 86 HD12 LEU 13 2HD1 LEU 13 -52.032 -34.723 -21.544 87 HD13 LEU 13 3HD1 LEU 13 -53.456 -35.419 -20.782 88 HD21 LEU 13 3HD2 LEU 13 -54.856 -36.385 -23.391 89 HD22 LEU 13 1HD2 LEU 13 -54.688 -37.328 -21.897 90 HD23 LEU 13 2HD2 LEU 13 -54.092 -37.984 -23.429 91 H GLN 14 H GLN 14 -52.404 -33.276 -23.145 92 HA GLN 14 HA GLN 14 -50.120 -31.968 -24.186 93 HB2 GLN 14 1HB GLN 14 -52.500 -31.167 -25.424 94 HB3 GLN 14 2HB GLN 14 -52.501 -30.133 -24.001 95 HG2 GLN 14 1HG GLN 14 -51.413 -29.007 -25.896 96 HG3 GLN 14 2HG GLN 14 -50.241 -29.305 -24.597 97 HE21 GLN 14 1HE2 GLN 14 -51.568 -31.237 -27.363 98 HE22 GLN 14 2HE2 GLN 14 -50.027 -31.998 -27.658 99 H GLU 15 H GLU 15 -49.652 -30.088 -22.537 100 HA GLU 15 HA GLU 15 -51.182 -30.355 -20.075 101 HB2 GLU 15 1HB GLU 15 -48.548 -31.565 -20.460 102 HB3 GLU 15 2HB GLU 15 -48.442 -30.294 -19.268 103 HG2 GLU 15 1HG GLU 15 -50.319 -32.697 -19.229 104 HG3 GLU 15 2HG GLU 15 -48.967 -32.376 -18.150 105 H LYS 16 H LYS 16 -49.944 -28.757 -18.430 106 HA LYS 16 HA LYS 16 -50.457 -26.111 -19.577 107 HB2 LYS 16 1HB LYS 16 -49.947 -27.292 -16.819 108 HB3 LYS 16 2HB LYS 16 -49.843 -25.552 -17.021 109 HG2 LYS 16 1HG LYS 16 -52.061 -25.254 -17.507 110 HG3 LYS 16 2HG LYS 16 -52.277 -26.851 -18.224 111 HD2 LYS 16 1HD LYS 16 -52.009 -26.338 -15.253 112 HD3 LYS 16 2HD LYS 16 -53.546 -26.527 -16.097 113 HE2 LYS 16 1HE LYS 16 -51.304 -28.622 -15.796 114 HE3 LYS 16 2HE LYS 16 -52.914 -28.640 -14.969 115 HZ1 LYS 16 3HZ LYS 16 -52.654 -30.092 -16.924 116 HZ2 LYS 16 1HZ LYS 16 -52.431 -28.878 -17.883 117 HZ3 LYS 16 2HZ LYS 16 -53.923 -29.098 -17.152 118 HA PRO 17 HA PRO 17 -46.315 -25.017 -20.369 119 HB2 PRO 17 1HB PRO 17 -46.143 -22.351 -19.756 120 HB3 PRO 17 2HB PRO 17 -47.127 -22.968 -21.118 121 HG2 PRO 17 1HG PRO 17 -48.052 -22.294 -18.310 122 HG3 PRO 17 2HG PRO 17 -48.770 -21.757 -19.860 123 HD2 PRO 17 1HD PRO 17 -49.755 -23.885 -18.499 124 HD3 PRO 17 2HD PRO 17 -49.671 -23.915 -20.281 125 H ALA 18 H ALA 18 -44.266 -24.422 -19.478 126 HA ALA 18 HA ALA 18 -43.944 -25.171 -16.673 127 HB1 ALA 18 1HB ALA 18 -42.485 -26.098 -18.478 128 HB2 ALA 18 2HB ALA 18 -41.896 -24.453 -18.830 129 HB3 ALA 18 3HB ALA 18 -41.543 -25.212 -17.266 130 H LEU 19 H LEU 19 -42.000 -23.839 -15.600 131 HA LEU 19 HA LEU 19 -42.318 -20.936 -15.896 132 HB2 LEU 19 1HB LEU 19 -42.843 -20.535 -13.671 133 HB3 LEU 19 2HB LEU 19 -43.954 -21.804 -14.142 134 HG LEU 19 HG LEU 19 -41.412 -22.152 -12.459 135 HD11 LEU 19 1HD1 LEU 19 -44.355 -22.254 -11.688 136 HD12 LEU 19 2HD1 LEU 19 -43.217 -20.943 -11.310 137 HD13 LEU 19 3HD1 LEU 19 -42.973 -22.549 -10.607 138 HD21 LEU 19 3HD2 LEU 19 -41.790 -24.250 -13.625 139 HD22 LEU 19 1HD2 LEU 19 -43.534 -24.198 -13.251 140 HD23 LEU 19 2HD2 LEU 19 -42.334 -24.435 -11.960 141 H LEU 20 H LEU 20 -40.679 -19.882 -14.252 142 HA LEU 20 HA LEU 20 -38.145 -21.352 -14.126 143 HB2 LEU 20 1HB LEU 20 -37.005 -19.362 -14.920 144 HB3 LEU 20 2HB LEU 20 -38.034 -20.018 -16.169 145 HG LEU 20 HG LEU 20 -39.312 -17.891 -14.481 146 HD11 LEU 20 1HD1 LEU 20 -37.023 -16.990 -14.616 147 HD12 LEU 20 2HD1 LEU 20 -38.141 -16.039 -15.601 148 HD13 LEU 20 3HD1 LEU 20 -37.035 -17.192 -16.381 149 HD21 LEU 20 3HD2 LEU 20 -40.416 -18.838 -16.491 150 HD22 LEU 20 1HD2 LEU 20 -39.079 -18.242 -17.497 151 HD23 LEU 20 2HD2 LEU 20 -40.134 -17.097 -16.641 152 H PHE 21 H PHE 21 -36.572 -19.733 -12.768 153 HA PHE 21 HA PHE 21 -38.099 -18.621 -10.499 154 HB2 PHE 21 1HB PHE 21 -36.233 -19.619 -9.090 155 HB3 PHE 21 2HB PHE 21 -37.369 -20.756 -9.796 156 HD1 PHE 21 2HD PHE 21 -33.896 -19.387 -10.104 157 HD2 PHE 21 1HD PHE 21 -36.659 -22.470 -11.332 158 HE1 PHE 21 2HE PHE 21 -32.041 -20.639 -11.149 159 HE2 PHE 21 1HE PHE 21 -34.791 -23.719 -12.378 160 HZ PHE 21 HZ PHE 21 -32.477 -22.806 -12.293 161 HA PRO 22 HA PRO 22 -35.297 -15.208 -11.124 162 HB2 PRO 22 1HB PRO 22 -35.514 -13.844 -8.791 163 HB3 PRO 22 2HB PRO 22 -36.952 -14.112 -9.823 164 HG2 PRO 22 1HG PRO 22 -36.063 -15.743 -7.408 165 HG3 PRO 22 2HG PRO 22 -37.679 -15.030 -7.721 166 HD2 PRO 22 1HD PRO 22 -37.042 -17.635 -8.341 167 HD3 PRO 22 2HD PRO 22 -38.197 -16.672 -9.313 168 H GLY 23 H GLY 23 -33.344 -14.038 -9.900 169 HA2 GLY 23 1HA GLY 23 -31.741 -15.861 -8.230 170 HA3 GLY 23 2HA GLY 23 -31.086 -15.314 -9.790 171 H MET 24 H MET 24 -29.888 -14.670 -7.260 172 HA MET 24 HA MET 24 -29.951 -11.749 -7.332 173 HB2 MET 24 1HB MET 24 -31.528 -12.846 -5.477 174 HB3 MET 24 2HB MET 24 -30.010 -13.171 -4.647 175 HG2 MET 24 1HG MET 24 -31.109 -10.499 -5.571 176 HG3 MET 24 2HG MET 24 -31.056 -11.084 -3.913 177 HE1 MET 24 3HE MET 24 -27.229 -10.774 -3.011 178 HE2 MET 24 1HE MET 24 -28.828 -11.321 -2.473 179 HE3 MET 24 2HE MET 24 -27.949 -12.232 -3.724 180 H ALA 25 H ALA 25 -27.781 -11.159 -7.473 181 HA ALA 25 HA ALA 25 -25.707 -12.754 -6.149 182 HB1 ALA 25 1HB ALA 25 -24.425 -12.989 -8.253 183 HB2 ALA 25 2HB ALA 25 -25.953 -13.880 -8.337 184 HB3 ALA 25 3HB ALA 25 -25.784 -12.317 -9.173 185 H ALA 26 H ALA 26 -26.418 -10.428 -5.152 186 HA ALA 26 HA ALA 26 -25.378 -8.112 -6.503 187 HB1 ALA 26 1HB ALA 26 -27.049 -7.865 -4.735 188 HB2 ALA 26 2HB ALA 26 -25.909 -8.545 -3.545 189 HB3 ALA 26 3HB ALA 26 -25.553 -6.997 -4.331 190 H SER 27 H SER 27 -23.430 -7.164 -6.403 191 HA SER 27 HA SER 27 -21.152 -8.788 -5.549 192 HB2 SER 27 1HB SER 27 -21.628 -7.595 -7.792 193 HB3 SER 27 2HB SER 27 -21.202 -6.106 -6.951 194 HG SER 27 HG SER 27 -19.594 -7.534 -8.196 195 H THR 28 H THR 28 -19.253 -6.895 -4.978 196 HA THR 28 HA THR 28 -20.181 -5.277 -2.685 197 HB THR 28 HB THR 28 -18.108 -6.186 -1.463 198 HG1 THR 28 1HG THR 28 -18.486 -8.523 -2.961 199 HG21 THR 28 3HG2 THR 28 -19.254 -8.104 -0.518 200 HG22 THR 28 1HG2 THR 28 -20.390 -8.155 -1.883 201 HG23 THR 28 2HG2 THR 28 -20.394 -6.776 -0.763 202 H VAL 29 H VAL 29 -18.041 -4.015 -1.865 203 HA VAL 29 HA VAL 29 -16.352 -3.140 -4.099 204 HB VAL 29 HB VAL 29 -16.846 -0.768 -3.457 205 HG11 VAL 29 1HG1 VAL 29 -18.852 -0.551 -4.803 206 HG12 VAL 29 2HG1 VAL 29 -17.836 -1.834 -5.477 207 HG13 VAL 29 3HG1 VAL 29 -19.280 -2.246 -4.536 208 HG21 VAL 29 3HG2 VAL 29 -18.925 -0.187 -2.317 209 HG22 VAL 29 1HG2 VAL 29 -19.288 -1.891 -2.016 210 HG23 VAL 29 2HG2 VAL 29 -17.883 -1.126 -1.243 211 H GLN 30 H GLN 30 -14.802 -1.293 -2.957 212 HA GLN 30 HA GLN 30 -13.876 -2.312 -0.331 213 HB2 GLN 30 1HB GLN 30 -12.229 -1.780 -2.836 214 HB3 GLN 30 2HB GLN 30 -11.523 -2.017 -1.245 215 HG2 GLN 30 1HG GLN 30 -13.220 -4.133 -2.640 216 HG3 GLN 30 2HG GLN 30 -11.470 -4.017 -2.753 217 HE21 GLN 30 1HE2 GLN 30 -14.090 -4.256 -0.231 218 HE22 GLN 30 2HE2 GLN 30 -13.097 -5.173 0.882 219 H VAL 31 H VAL 31 -12.187 -0.795 0.595 220 HA VAL 31 HA VAL 31 -13.211 1.976 0.367 221 HB VAL 31 HB VAL 31 -12.106 2.305 2.545 222 HG11 VAL 31 1HG1 VAL 31 -14.047 -0.031 2.603 223 HG12 VAL 31 2HG1 VAL 31 -13.695 1.090 3.929 224 HG13 VAL 31 3HG1 VAL 31 -14.480 1.691 2.459 225 HG21 VAL 31 3HG2 VAL 31 -11.565 -0.696 2.584 226 HG22 VAL 31 1HG2 VAL 31 -10.339 0.585 2.406 227 HG23 VAL 31 2HG2 VAL 31 -11.275 0.472 3.886 228 H ALA 32 H ALA 32 -11.797 3.665 0.171 229 HA ALA 32 HA ALA 32 -9.151 3.028 -1.038 230 HB1 ALA 32 1HB ALA 32 -10.815 5.602 -1.104 231 HB2 ALA 32 2HB ALA 32 -9.323 5.295 -2.028 232 HB3 ALA 32 3HB ALA 32 -10.790 4.377 -2.390 233 H GLY 33 H GLY 33 -7.865 5.528 -0.511 234 HA2 GLY 33 1HA GLY 33 -7.909 6.760 1.804 235 HA3 GLY 33 2HA GLY 33 -7.353 5.185 2.363 236 H ARG 34 H ARG 34 -5.735 6.947 2.953 237 HA ARG 34 HA ARG 34 -3.769 7.789 1.052 238 HB2 ARG 34 1HB ARG 34 -3.252 7.383 4.046 239 HB3 ARG 34 2HB ARG 34 -2.496 8.521 2.941 240 HG2 ARG 34 1HG ARG 34 -4.883 9.549 2.641 241 HG3 ARG 34 2HG ARG 34 -5.342 8.575 4.034 242 HD2 ARG 34 1HD ARG 34 -4.857 10.722 4.842 243 HD3 ARG 34 2HD ARG 34 -3.478 9.716 5.337 244 HE ARG 34 HE ARG 34 -2.985 10.889 2.778 245 HH11 ARG 34 1HH1 ARG 34 -3.303 11.962 6.129 246 HH12 ARG 34 2HH1 ARG 34 -2.132 13.240 5.988 247 HH21 ARG 34 1HH2 ARG 34 -1.637 12.737 2.489 248 HH22 ARG 34 2HH2 ARG 34 -1.371 13.802 3.818 249 H LYS 35 H LYS 35 -4.046 4.967 3.167 250 HA LYS 35 HA LYS 35 -2.856 3.029 3.361 251 HB2 LYS 35 1HB LYS 35 -2.280 3.357 0.396 252 HB3 LYS 35 2HB LYS 35 -2.290 1.867 1.339 253 HG2 LYS 35 1HG LYS 35 -4.778 2.284 1.805 254 HG3 LYS 35 2HG LYS 35 -4.686 3.637 0.696 255 HD2 LYS 35 1HD LYS 35 -5.581 1.815 -0.538 256 HD3 LYS 35 2HD LYS 35 -3.944 2.114 -1.128 257 HE2 LYS 35 1HE LYS 35 -4.298 -0.281 -0.937 258 HE3 LYS 35 2HE LYS 35 -3.122 0.214 0.289 259 HZ1 LYS 35 3HZ LYS 35 -5.989 -0.364 0.704 260 HZ2 LYS 35 1HZ LYS 35 -4.954 0.169 1.910 261 HZ3 LYS 35 2HZ LYS 35 -4.747 -1.279 1.175 262 H ASP 36 H ASP 36 -1.463 5.557 3.839 263 HA ASP 36 HA ASP 36 1.376 4.704 3.566 264 HB2 ASP 36 1HB ASP 36 0.215 6.822 2.325 265 HB3 ASP 36 2HB ASP 36 0.615 7.597 3.840 266 H TYR 37 H TYR 37 -0.846 4.460 5.682 267 HA TYR 37 HA TYR 37 -0.177 6.056 7.949 268 HB2 TYR 37 1HB TYR 37 -1.460 3.406 8.409 269 HB3 TYR 37 2HB TYR 37 -1.865 5.003 8.961 270 HD1 TYR 37 2HD TYR 37 -2.947 6.672 7.318 271 HD2 TYR 37 1HD TYR 37 -2.705 2.419 6.605 272 HE1 TYR 37 2HE TYR 37 -4.850 6.819 5.750 273 HE2 TYR 37 1HE TYR 37 -4.591 2.555 5.047 274 HH TYR 37 HH TYR 37 -6.335 4.002 4.148 275 HA PRO 38 HA PRO 38 2.398 2.276 9.450 276 HB2 PRO 38 1HB PRO 38 3.150 0.306 7.702 277 HB3 PRO 38 2HB PRO 38 1.597 0.243 8.582 278 HG2 PRO 38 1HG PRO 38 2.081 1.284 5.767 279 HG3 PRO 38 2HG PRO 38 0.849 0.090 6.306 280 HD2 PRO 38 1HD PRO 38 0.175 2.667 6.034 281 HD3 PRO 38 2HD PRO 38 -0.389 1.737 7.435 282 H ALA 39 H ALA 39 4.696 1.926 9.312 283 HA ALA 39 HA ALA 39 6.249 3.110 7.150 284 HB1 ALA 39 1HB ALA 39 7.466 4.551 8.692 285 HB2 ALA 39 2HB ALA 39 5.751 4.995 8.698 286 HB3 ALA 39 3HB ALA 39 6.427 4.039 10.042 287 H LEU 40 H LEU 40 8.491 2.482 7.502 288 HA LEU 40 HA LEU 40 9.877 0.610 7.512 289 HB2 LEU 40 1HB LEU 40 9.748 1.461 10.422 290 HB3 LEU 40 2HB LEU 40 11.002 0.422 9.723 291 HG LEU 40 HG LEU 40 10.446 3.301 8.939 292 HD11 LEU 40 1HD1 LEU 40 12.610 3.809 9.912 293 HD12 LEU 40 2HD1 LEU 40 12.877 2.101 10.330 294 HD13 LEU 40 3HD1 LEU 40 11.596 3.036 11.134 295 HD21 LEU 40 3HD2 LEU 40 12.506 1.284 7.929 296 HD22 LEU 40 1HD2 LEU 40 12.604 3.018 7.671 297 HD23 LEU 40 2HD2 LEU 40 11.255 2.143 6.967 298 H LEU 41 H LEU 41 8.099 -0.659 6.877 299 HA LEU 41 HA LEU 41 6.662 -2.498 8.459 300 HB2 LEU 41 1HB LEU 41 7.577 -2.438 5.543 301 HB3 LEU 41 2HB LEU 41 6.682 -3.797 6.156 302 HG LEU 41 HG LEU 41 5.313 -2.233 4.905 303 HD11 LEU 41 1HD1 LEU 41 4.565 -2.506 7.855 304 HD12 LEU 41 2HD1 LEU 41 4.206 -3.650 6.546 305 HD13 LEU 41 3HD1 LEU 41 3.444 -2.047 6.589 306 HD21 LEU 41 3HD2 LEU 41 5.561 -0.204 7.134 307 HD22 LEU 41 1HD2 LEU 41 4.664 -0.069 5.601 308 HD23 LEU 41 2HD2 LEU 41 6.411 -0.110 5.579 309 HA PRO 42 HA PRO 42 9.653 -5.492 9.504 310 HB2 PRO 42 1HB PRO 42 8.183 -7.882 8.748 311 HB3 PRO 42 2HB PRO 42 8.470 -7.224 10.370 312 HG2 PRO 42 1HG PRO 42 6.011 -7.177 8.893 313 HG3 PRO 42 2HG PRO 42 6.344 -6.385 10.455 314 HD2 PRO 42 1HD PRO 42 6.055 -5.166 7.846 315 HD3 PRO 42 2HD PRO 42 6.205 -4.395 9.451 316 H LEU 43 H LEU 43 11.436 -6.570 8.528 317 HA LEU 43 HA LEU 43 11.237 -7.564 5.798 318 HB2 LEU 43 1HB LEU 43 12.023 -5.683 4.907 319 HB3 LEU 43 2HB LEU 43 12.242 -4.924 6.464 320 HG LEU 43 HG LEU 43 14.488 -5.997 6.663 321 HD11 LEU 43 1HD1 LEU 43 15.435 -7.224 4.907 322 HD12 LEU 43 2HD1 LEU 43 14.327 -6.501 3.698 323 HD13 LEU 43 3HD1 LEU 43 13.768 -7.764 4.767 324 HD21 LEU 43 3HD2 LEU 43 14.007 -4.198 4.298 325 HD22 LEU 43 1HD2 LEU 43 15.592 -4.507 5.083 326 HD23 LEU 43 2HD2 LEU 43 14.279 -3.761 6.003 327 H ASN 44 H ASN 44 12.271 -9.447 5.793 328 HA ASN 44 HA ASN 44 13.809 -10.332 8.137 329 HB2 ASN 44 1HB ASN 44 12.064 -11.766 7.124 330 HB3 ASN 44 2HB ASN 44 12.903 -11.710 5.590 331 HD21 ASN 44 1HD2 ASN 44 12.534 -14.142 6.181 332 HD22 ASN 44 2HD2 ASN 44 13.806 -14.963 6.996 333 H GLU 45 H GLU 45 15.982 -10.032 8.172 334 HA GLU 45 HA GLU 45 17.408 -9.182 5.834 335 HB2 GLU 45 1HB GLU 45 19.383 -9.181 7.212 336 HB3 GLU 45 2HB GLU 45 18.034 -8.554 8.159 337 HG2 GLU 45 1HG GLU 45 17.866 -10.714 9.363 338 HG3 GLU 45 2HG GLU 45 19.168 -11.388 8.373 339 H SER 46 H SER 46 16.867 -12.430 7.110 340 HA SER 46 HA SER 46 18.997 -13.647 5.549 341 HB2 SER 46 1HB SER 46 16.608 -14.927 6.925 342 HB3 SER 46 2HB SER 46 18.115 -15.715 6.439 343 HG SER 46 HG SER 46 18.045 -15.243 8.633 344 H GLU 47 H GLU 47 15.823 -12.524 4.759 345 HA GLU 47 HA GLU 47 15.324 -14.662 2.793 346 HB2 GLU 47 1HB GLU 47 13.694 -13.384 4.432 347 HB3 GLU 47 2HB GLU 47 13.636 -12.171 3.198 348 HG2 GLU 47 1HG GLU 47 11.781 -13.599 2.844 349 HG3 GLU 47 2HG GLU 47 12.949 -14.109 1.616 350 H LEU 48 H LEU 48 17.283 -12.082 2.837 351 HA LEU 48 HA LEU 48 16.708 -11.077 0.100 352 HB2 LEU 48 1HB LEU 48 18.695 -10.010 2.135 353 HB3 LEU 48 2HB LEU 48 18.135 -9.229 0.682 354 HG LEU 48 HG LEU 48 16.852 -9.428 3.362 355 HD11 LEU 48 1HD1 LEU 48 16.450 -7.059 2.893 356 HD12 LEU 48 2HD1 LEU 48 16.988 -7.272 1.214 357 HD13 LEU 48 3HD1 LEU 48 18.131 -7.469 2.553 358 HD21 LEU 48 3HD2 LEU 48 15.168 -9.121 0.837 359 HD22 LEU 48 1HD2 LEU 48 14.658 -8.660 2.489 360 HD23 LEU 48 2HD2 LEU 48 14.957 -10.318 2.137 361 H GLU 49 H GLU 49 18.797 -10.378 -1.076 362 HA GLU 49 HA GLU 49 20.933 -12.401 -0.968 363 HB2 GLU 49 1HB GLU 49 20.997 -12.449 -3.379 364 HB3 GLU 49 2HB GLU 49 19.402 -12.961 -2.816 365 HG2 GLU 49 1HG GLU 49 18.547 -10.639 -3.335 366 HG3 GLU 49 2HG GLU 49 20.131 -10.255 -4.013 367 H GLU 50 H GLU 50 23.008 -11.426 -1.810 368 HA GLU 50 HA GLU 50 23.028 -8.461 -1.871 369 HB2 GLU 50 1HB GLU 50 24.819 -8.378 -0.228 370 HB3 GLU 50 2HB GLU 50 23.365 -9.067 0.484 371 HG2 GLU 50 1HG GLU 50 24.322 -11.343 0.338 372 HG3 GLU 50 2HG GLU 50 25.754 -10.718 -0.493 373 H GLN 51 H GLN 51 24.913 -7.487 -2.666 374 HA GLN 51 HA GLN 51 26.446 -9.247 -4.514 375 HB2 GLN 51 1HB GLN 51 24.584 -7.941 -5.553 376 HB3 GLN 51 2HB GLN 51 25.358 -6.456 -4.968 377 HG2 GLN 51 1HG GLN 51 27.340 -6.961 -6.344 378 HG3 GLN 51 2HG GLN 51 26.524 -8.432 -6.926 379 HE21 GLN 51 1HE2 GLN 51 25.243 -8.189 -8.776 380 HE22 GLN 51 2HE2 GLN 51 24.643 -6.667 -9.373 381 H PHE 52 H PHE 52 28.505 -8.860 -4.696 382 HA PHE 52 HA PHE 52 29.791 -6.835 -2.937 383 HB2 PHE 52 1HB PHE 52 30.948 -9.373 -4.127 384 HB3 PHE 52 2HB PHE 52 31.792 -8.262 -3.055 385 HD1 PHE 52 2HD PHE 52 31.026 -8.043 -0.626 386 HD2 PHE 52 1HD PHE 52 29.471 -11.074 -3.280 387 HE1 PHE 52 2HE PHE 52 30.140 -9.320 1.316 388 HE2 PHE 52 1HE PHE 52 28.581 -12.322 -1.339 389 HZ PHE 52 HZ PHE 52 28.894 -11.434 0.969 390 H VAL 53 H VAL 53 30.974 -5.209 -3.880 391 HA VAL 53 HA VAL 53 30.989 -5.051 -6.826 392 HB VAL 53 HB VAL 53 31.963 -3.036 -4.773 393 HG11 VAL 53 1HG1 VAL 53 32.905 -2.618 -7.016 394 HG12 VAL 53 2HG1 VAL 53 31.278 -2.699 -7.728 395 HG13 VAL 53 3HG1 VAL 53 31.706 -1.391 -6.608 396 HG21 VAL 53 3HG2 VAL 53 29.262 -3.327 -6.168 397 HG22 VAL 53 1HG2 VAL 53 29.573 -3.409 -4.419 398 HG23 VAL 53 2HG2 VAL 53 29.761 -1.879 -5.278 399 H LYS 54 H LYS 54 32.638 -5.740 -7.981 400 HA LYS 54 HA LYS 54 35.184 -6.463 -6.700 401 HB2 LYS 54 1HB LYS 54 33.802 -7.915 -8.326 402 HB3 LYS 54 2HB LYS 54 34.421 -6.871 -9.603 403 HG2 LYS 54 1HG LYS 54 36.224 -8.365 -7.639 404 HG3 LYS 54 2HG LYS 54 35.606 -9.081 -9.108 405 HD2 LYS 54 1HD LYS 54 36.672 -6.808 -10.184 406 HD3 LYS 54 2HD LYS 54 37.706 -6.981 -8.767 407 HE2 LYS 54 1HE LYS 54 38.788 -8.140 -10.560 408 HE3 LYS 54 2HE LYS 54 38.121 -9.403 -9.503 409 HZ1 LYS 54 3HZ LYS 54 36.918 -8.394 -12.004 410 HZ2 LYS 54 1HZ LYS 54 36.269 -9.599 -11.070 411 HZ3 LYS 54 2HZ LYS 54 37.688 -9.825 -11.855 412 H GLY 55 H GLY 55 36.278 -4.505 -6.364 413 HA2 GLY 55 1HA GLY 55 37.841 -2.923 -7.110 414 HA3 GLY 55 2HA GLY 55 37.478 -3.440 -8.766 415 H HIS 56 H HIS 56 35.769 -2.427 -9.944 416 HA HIS 56 HA HIS 56 34.494 -0.033 -8.785 417 HB2 HIS 56 1HB HIS 56 36.042 -0.047 -11.409 418 HB3 HIS 56 2HB HIS 56 35.147 1.308 -10.739 419 HD1 HIS 56 1HD HIS 56 36.282 1.892 -7.999 420 HD2 HIS 56 2HD HIS 56 38.588 0.264 -11.141 421 HE1 HIS 56 1HE HIS 56 38.718 2.453 -7.497 422 H GLY 57 H GLY 57 32.753 0.725 -10.063 423 HA2 GLY 57 1HA GLY 57 31.239 -1.377 -11.528 424 HA3 GLY 57 2HA GLY 57 30.624 0.083 -10.737 425 HA PRO 58 HA PRO 58 31.051 0.828 -15.359 426 HB2 PRO 58 1HB PRO 58 28.512 1.815 -15.782 427 HB3 PRO 58 2HB PRO 58 28.891 0.070 -15.787 428 HG2 PRO 58 1HG PRO 58 27.842 1.742 -13.498 429 HG3 PRO 58 2HG PRO 58 27.205 0.169 -14.077 430 HD2 PRO 58 1HD PRO 58 28.842 0.332 -11.952 431 HD3 PRO 58 2HD PRO 58 29.017 -1.008 -13.127 432 H GLY 59 H GLY 59 30.714 2.997 -16.499 433 HA2 GLY 59 1HA GLY 59 32.025 5.053 -15.118 434 HA3 GLY 59 2HA GLY 59 31.109 5.243 -16.622 435 H GLY 60 H GLY 60 31.285 7.231 -14.593 436 HA2 GLY 60 1HA GLY 60 29.172 8.646 -14.341 437 HA3 GLY 60 2HA GLY 60 28.583 7.295 -13.338 438 H GLN 61 H GLN 61 29.816 6.676 -11.456 439 HA GLN 61 HA GLN 61 30.777 8.884 -9.916 440 HB2 GLN 61 1HB GLN 61 29.656 6.888 -8.990 441 HB3 GLN 61 2HB GLN 61 31.011 5.869 -9.484 442 HG2 GLN 61 1HG GLN 61 32.497 7.001 -7.888 443 HG3 GLN 61 2HG GLN 61 31.197 8.123 -7.450 444 HE21 GLN 61 1HE2 GLN 61 32.337 6.707 -5.338 445 HE22 GLN 61 2HE2 GLN 61 31.129 5.554 -4.776 446 H ALA 62 H ALA 62 32.838 9.679 -9.803 447 HA ALA 62 HA ALA 62 34.832 8.920 -11.689 448 HB1 ALA 62 1HB ALA 62 35.111 10.518 -9.098 449 HB2 ALA 62 2HB ALA 62 36.279 10.495 -10.432 450 HB3 ALA 62 3HB ALA 62 34.669 11.193 -10.684 451 H THR 63 H THR 63 37.126 8.181 -11.051 452 HA THR 63 HA THR 63 36.948 5.677 -9.738 453 HB THR 63 HB THR 63 38.583 6.102 -11.456 454 HG1 THR 63 1HG THR 63 39.907 4.764 -10.540 455 HG21 THR 63 3HG2 THR 63 40.076 7.870 -9.467 456 HG22 THR 63 1HG2 THR 63 39.274 8.447 -10.940 457 HG23 THR 63 2HG2 THR 63 40.660 7.351 -11.059 458 H ASN 64 H ASN 64 37.201 5.077 -7.649 459 HA ASN 64 HA ASN 64 38.007 7.096 -5.620 460 HB2 ASN 64 1HB ASN 64 35.545 5.279 -5.555 461 HB3 ASN 64 2HB ASN 64 36.217 6.093 -4.155 462 HD21 ASN 64 1HD2 ASN 64 36.619 8.483 -6.497 463 HD22 ASN 64 2HD2 ASN 64 35.086 9.258 -6.175 464 H LYS 65 H LYS 65 39.601 6.200 -4.392 465 HA LYS 65 HA LYS 65 40.498 3.552 -4.948 466 HB2 LYS 65 1HB LYS 65 41.952 5.423 -4.115 467 HB3 LYS 65 2HB LYS 65 41.149 5.322 -2.550 468 HG2 LYS 65 1HG LYS 65 43.287 4.234 -2.415 469 HG3 LYS 65 2HG LYS 65 42.042 3.026 -2.230 470 HD2 LYS 65 1HD LYS 65 42.628 3.047 -5.039 471 HD3 LYS 65 2HD LYS 65 44.170 3.305 -4.242 472 HE2 LYS 65 1HE LYS 65 44.008 0.964 -4.472 473 HE3 LYS 65 2HE LYS 65 43.669 1.292 -2.767 474 HZ1 LYS 65 3HZ LYS 65 41.264 1.135 -3.352 475 HZ2 LYS 65 1HZ LYS 65 42.067 -0.269 -3.619 476 HZ3 LYS 65 2HZ LYS 65 41.654 0.702 -4.871 477 H THR 66 H THR 66 37.984 4.665 -2.760 478 HA THR 66 HA THR 66 38.036 2.429 -0.972 479 HB THR 66 HB THR 66 35.770 3.564 -0.384 480 HG1 THR 66 1HG THR 66 35.313 4.804 -2.067 481 HG21 THR 66 3HG2 THR 66 37.857 3.923 0.905 482 HG22 THR 66 1HG2 THR 66 36.904 5.408 0.777 483 HG23 THR 66 2HG2 THR 66 38.347 5.204 -0.228 484 H SER 67 H SER 67 38.146 0.805 -2.792 485 HA SER 67 HA SER 67 35.901 0.307 -4.482 486 HB2 SER 67 1HB SER 67 37.990 -1.627 -3.388 487 HB3 SER 67 2HB SER 67 36.994 -1.865 -4.832 488 HG SER 67 HG SER 67 38.025 -0.154 -5.809 489 H ASN 68 H ASN 68 36.040 0.156 -1.154 490 HA ASN 68 HA ASN 68 34.544 -2.201 -0.525 491 HB2 ASN 68 1HB ASN 68 34.507 -1.152 1.765 492 HB3 ASN 68 2HB ASN 68 36.097 -1.408 1.091 493 HD21 ASN 68 1HD2 ASN 68 34.098 1.025 2.592 494 HD22 ASN 68 2HD2 ASN 68 35.128 2.356 2.154 495 H CYS 69 H CYS 69 32.863 -1.473 -2.328 496 HA CYS 69 HA CYS 69 30.756 0.281 -1.159 497 HB2 CYS 69 1HB CYS 69 31.250 -0.734 -3.986 498 HB3 CYS 69 2HB CYS 69 29.878 0.280 -3.504 499 HG CYS 69 HG CYS 69 33.025 1.116 -2.824 500 H VAL 70 H VAL 70 28.496 -0.508 -1.234 501 HA VAL 70 HA VAL 70 28.171 -3.467 -1.367 502 HB VAL 70 HB VAL 70 27.129 -1.479 0.720 503 HG11 VAL 70 1HG1 VAL 70 25.466 -3.286 0.255 504 HG12 VAL 70 2HG1 VAL 70 26.744 -4.476 0.589 505 HG13 VAL 70 3HG1 VAL 70 26.163 -3.401 1.872 506 HG21 VAL 70 3HG2 VAL 70 29.193 -3.712 0.872 507 HG22 VAL 70 1HG2 VAL 70 29.424 -1.989 1.242 508 HG23 VAL 70 2HG2 VAL 70 28.436 -3.006 2.302 509 H VAL 71 H VAL 71 26.156 -4.103 -2.360 510 HA VAL 71 HA VAL 71 24.298 -1.969 -3.195 511 HB VAL 71 HB VAL 71 25.331 -4.118 -5.092 512 HG11 VAL 71 1HG1 VAL 71 23.621 -1.625 -5.466 513 HG12 VAL 71 2HG1 VAL 71 24.298 -2.580 -6.802 514 HG13 VAL 71 3HG1 VAL 71 23.151 -3.319 -5.679 515 HG21 VAL 71 3HG2 VAL 71 26.361 -1.270 -4.914 516 HG22 VAL 71 1HG2 VAL 71 27.258 -2.781 -4.735 517 HG23 VAL 71 2HG2 VAL 71 26.581 -2.349 -6.302 518 H LEU 72 H LEU 72 22.738 -2.663 -1.798 519 HA LEU 72 HA LEU 72 22.108 -5.547 -1.666 520 HB2 LEU 72 1HB LEU 72 22.419 -4.072 0.389 521 HB3 LEU 72 2HB LEU 72 20.927 -3.243 -0.075 522 HG LEU 72 HG LEU 72 19.712 -5.451 0.124 523 HD11 LEU 72 1HD1 LEU 72 20.775 -7.309 1.303 524 HD12 LEU 72 2HD1 LEU 72 22.351 -6.447 1.291 525 HD13 LEU 72 3HD1 LEU 72 21.604 -7.019 -0.209 526 HD21 LEU 72 3HD2 LEU 72 19.720 -5.456 2.569 527 HD22 LEU 72 1HD2 LEU 72 19.804 -3.792 1.966 528 HD23 LEU 72 2HD2 LEU 72 21.268 -4.572 2.590 529 H LYS 73 H LYS 73 19.931 -6.352 -2.049 530 HA LYS 73 HA LYS 73 18.084 -4.563 -3.508 531 HB2 LYS 73 1HB LYS 73 19.439 -5.562 -5.211 532 HB3 LYS 73 2HB LYS 73 19.400 -7.144 -4.451 533 HG2 LYS 73 1HG LYS 73 16.734 -6.033 -5.295 534 HG3 LYS 73 2HG LYS 73 17.888 -6.422 -6.573 535 HD2 LYS 73 1HD LYS 73 18.143 -8.685 -5.849 536 HD3 LYS 73 2HD LYS 73 17.092 -8.442 -4.443 537 HE2 LYS 73 1HE LYS 73 15.150 -8.237 -5.761 538 HE3 LYS 73 2HE LYS 73 16.051 -7.795 -7.211 539 HZ1 LYS 73 3HZ LYS 73 15.113 -10.181 -6.995 540 HZ2 LYS 73 1HZ LYS 73 16.472 -10.461 -6.084 541 HZ3 LYS 73 2HZ LYS 73 16.630 -9.959 -7.598 542 H HIS 74 H HIS 74 15.924 -5.052 -3.102 543 HA HIS 74 HA HIS 74 15.445 -7.156 -1.051 544 HB2 HIS 74 1HB HIS 74 14.370 -4.749 -1.019 545 HB3 HIS 74 2HB HIS 74 13.290 -5.393 -2.243 546 HD1 HIS 74 1HD HIS 74 11.068 -6.286 -0.978 547 HD2 HIS 74 2HD HIS 74 14.648 -6.541 1.248 548 HE1 HIS 74 1HE HIS 74 10.464 -7.288 1.252 549 H VAL 75 H VAL 75 14.463 -9.161 -1.661 550 HA VAL 75 HA VAL 75 14.452 -9.782 -4.428 551 HB VAL 75 HB VAL 75 13.525 -11.355 -2.016 552 HG11 VAL 75 1HG1 VAL 75 13.852 -12.257 -4.911 553 HG12 VAL 75 2HG1 VAL 75 13.560 -13.315 -3.517 554 HG13 VAL 75 3HG1 VAL 75 12.319 -12.169 -4.008 555 HG21 VAL 75 3HG2 VAL 75 15.950 -10.864 -2.104 556 HG22 VAL 75 1HG2 VAL 75 15.605 -12.577 -2.350 557 HG23 VAL 75 2HG2 VAL 75 16.021 -11.555 -3.735 558 HA PRO 76 HA PRO 76 9.706 -9.870 -4.469 559 HB2 PRO 76 1HB PRO 76 8.158 -9.203 -2.373 560 HB3 PRO 76 2HB PRO 76 8.986 -10.775 -2.449 561 HG2 PRO 76 1HG PRO 76 10.163 -8.271 -1.193 562 HG3 PRO 76 2HG PRO 76 9.758 -9.820 -0.324 563 HD2 PRO 76 1HD PRO 76 12.193 -9.417 -1.257 564 HD3 PRO 76 2HD PRO 76 11.383 -10.964 -1.692 565 H SER 77 H SER 77 11.459 -7.132 -3.446 566 HA SER 77 HA SER 77 9.302 -5.353 -4.559 567 HB2 SER 77 1HB SER 77 11.509 -4.347 -2.804 568 HB3 SER 77 2HB SER 77 9.967 -3.596 -3.196 569 HG SER 77 HG SER 77 8.994 -5.461 -2.012 570 H GLY 78 H GLY 78 12.458 -6.557 -5.076 571 HA2 GLY 78 1HA GLY 78 13.937 -6.308 -6.778 572 HA3 GLY 78 2HA GLY 78 12.695 -5.429 -7.664 573 H ILE 79 H ILE 79 13.009 -3.516 -4.982 574 HA ILE 79 HA ILE 79 14.498 -1.536 -6.382 575 HB ILE 79 HB ILE 79 13.863 -1.682 -3.409 576 HG12 ILE 79 1HG1 ILE 79 12.312 -0.518 -5.769 577 HG13 ILE 79 2HG1 ILE 79 11.797 -1.811 -4.688 578 HG21 ILE 79 1HG2 ILE 79 15.665 -0.038 -3.944 579 HG22 ILE 79 2HG2 ILE 79 14.568 0.744 -5.113 580 HG23 ILE 79 3HG2 ILE 79 14.218 0.749 -3.385 581 HD11 ILE 79 3HD1 ILE 79 11.603 -0.175 -2.819 582 HD12 ILE 79 1HD1 ILE 79 12.097 1.134 -3.921 583 HD13 ILE 79 2HD1 ILE 79 10.603 0.273 -4.192 584 H VAL 80 H VAL 80 16.604 -1.007 -6.331 585 HA VAL 80 HA VAL 80 18.508 -2.622 -4.719 586 HB VAL 80 HB VAL 80 18.996 -1.427 -7.489 587 HG11 VAL 80 1HG1 VAL 80 20.552 -3.467 -5.835 588 HG12 VAL 80 2HG1 VAL 80 20.956 -2.947 -7.484 589 HG13 VAL 80 3HG1 VAL 80 21.036 -1.789 -6.157 590 HG21 VAL 80 3HG2 VAL 80 18.926 -3.833 -8.294 591 HG22 VAL 80 1HG2 VAL 80 18.149 -4.228 -6.745 592 HG23 VAL 80 2HG2 VAL 80 17.363 -3.122 -7.885 593 H VAL 81 H VAL 81 20.050 -1.401 -3.625 594 HA VAL 81 HA VAL 81 20.377 1.415 -4.323 595 HB VAL 81 HB VAL 81 18.402 1.266 -2.729 596 HG11 VAL 81 1HG1 VAL 81 19.325 -0.382 -1.106 597 HG12 VAL 81 2HG1 VAL 81 20.548 0.804 -0.600 598 HG13 VAL 81 3HG1 VAL 81 18.787 1.150 -0.375 599 HG21 VAL 81 3HG2 VAL 81 20.725 3.007 -1.857 600 HG22 VAL 81 1HG2 VAL 81 19.579 3.360 -3.171 601 HG23 VAL 81 2HG2 VAL 81 19.006 3.269 -1.504 602 H LYS 82 H LYS 82 22.321 2.295 -3.548 603 HA LYS 82 HA LYS 82 24.130 0.382 -2.160 604 HB2 LYS 82 1HB LYS 82 25.970 1.008 -3.683 605 HB3 LYS 82 2HB LYS 82 24.721 -0.017 -4.359 606 HG2 LYS 82 1HG LYS 82 24.629 2.945 -4.876 607 HG3 LYS 82 2HG LYS 82 25.805 1.936 -5.726 608 HD2 LYS 82 1HD LYS 82 24.050 0.486 -6.625 609 HD3 LYS 82 2HD LYS 82 22.803 1.401 -5.782 610 HE2 LYS 82 1HE LYS 82 24.559 2.288 -8.089 611 HE3 LYS 82 2HE LYS 82 22.804 2.121 -8.048 612 HZ1 LYS 82 3HZ LYS 82 22.878 3.951 -6.327 613 HZ2 LYS 82 1HZ LYS 82 23.222 4.383 -7.862 614 HZ3 LYS 82 2HZ LYS 82 24.457 4.200 -6.789 615 H CYS 83 H CYS 83 25.388 1.175 -0.720 616 HA CYS 83 HA CYS 83 25.935 4.066 -0.495 617 HB2 CYS 83 1HB CYS 83 23.836 3.452 0.835 618 HB3 CYS 83 2HB CYS 83 24.852 2.401 1.831 619 HG CYS 83 HG CYS 83 24.533 5.607 1.536 620 H HIS 84 H HIS 84 27.827 4.470 0.869 621 HA HIS 84 HA HIS 84 29.459 2.241 1.826 622 HB2 HIS 84 1HB HIS 84 31.458 3.163 0.538 623 HB3 HIS 84 2HB HIS 84 30.299 2.158 -0.308 624 HD1 HIS 84 1HD HIS 84 30.954 5.965 0.012 625 HD2 HIS 84 2HD HIS 84 29.306 3.026 -2.481 626 HE1 HIS 84 1HE HIS 84 30.443 7.134 -2.239 627 H GLN 85 H GLN 85 29.396 3.090 3.914 628 HA GLN 85 HA GLN 85 30.363 5.905 4.283 629 HB2 GLN 85 1HB GLN 85 27.937 5.203 4.783 630 HB3 GLN 85 2HB GLN 85 28.620 4.288 6.127 631 HG2 GLN 85 1HG GLN 85 29.464 6.417 7.115 632 HG3 GLN 85 2HG GLN 85 28.802 7.300 5.730 633 HE21 GLN 85 1HE2 GLN 85 27.993 5.433 8.638 634 HE22 GLN 85 2HE2 GLN 85 26.262 5.695 8.599 635 H THR 86 H THR 86 31.204 2.564 5.074 636 HA THR 86 HA THR 86 33.277 3.672 6.906 637 HB THR 86 HB THR 86 33.006 1.944 8.489 638 HG1 THR 86 1HG THR 86 31.081 0.830 6.739 639 HG21 THR 86 3HG2 THR 86 30.812 2.213 9.447 640 HG22 THR 86 1HG2 THR 86 30.154 2.839 7.919 641 HG23 THR 86 2HG2 THR 86 31.370 3.774 8.816 642 H ARG 87 H ARG 87 35.051 2.031 7.291 643 HA ARG 87 HA ARG 87 35.934 0.998 4.691 644 HB2 ARG 87 1HB ARG 87 38.059 0.626 5.754 645 HB3 ARG 87 2HB ARG 87 37.452 2.194 6.246 646 HG2 ARG 87 1HG ARG 87 38.242 1.451 8.255 647 HG3 ARG 87 2HG ARG 87 36.579 0.882 8.399 648 HD2 ARG 87 1HD ARG 87 37.364 -1.398 7.637 649 HD3 ARG 87 2HD ARG 87 39.013 -0.760 7.546 650 HE ARG 87 HE ARG 87 37.988 -0.241 10.126 651 HH11 ARG 87 1HH1 ARG 87 38.956 -3.022 8.160 652 HH12 ARG 87 2HH1 ARG 87 39.362 -4.038 9.493 653 HH21 ARG 87 1HH2 ARG 87 38.516 -1.588 11.947 654 HH22 ARG 87 2HH2 ARG 87 39.100 -3.185 11.713 655 H SER 88 H SER 88 34.014 -0.281 7.198 656 HA SER 88 HA SER 88 34.916 -3.061 6.893 657 HB2 SER 88 1HB SER 88 32.914 -3.116 8.706 658 HB3 SER 88 2HB SER 88 34.580 -2.737 9.129 659 HG SER 88 HG SER 88 32.547 -0.805 8.569 660 H VAL 89 H VAL 89 34.007 -4.119 5.184 661 HA VAL 89 HA VAL 89 31.666 -3.295 3.880 662 HB VAL 89 HB VAL 89 33.292 -4.618 2.744 663 HG11 VAL 89 1HG1 VAL 89 34.232 -5.975 4.549 664 HG12 VAL 89 2HG1 VAL 89 32.717 -6.904 4.663 665 HG13 VAL 89 3HG1 VAL 89 33.724 -6.997 3.208 666 HG21 VAL 89 3HG2 VAL 89 31.913 -6.336 1.671 667 HG22 VAL 89 1HG2 VAL 89 30.759 -6.311 3.025 668 HG23 VAL 89 2HG2 VAL 89 30.942 -4.889 1.995 669 H ASP 90 H ASP 90 32.051 -5.788 6.439 670 HA ASP 90 HA ASP 90 29.419 -6.703 6.423 671 HB2 ASP 90 1HB ASP 90 31.462 -7.590 7.659 672 HB3 ASP 90 2HB ASP 90 31.049 -6.481 8.951 673 H GLN 91 H GLN 91 30.805 -3.974 8.291 674 HA GLN 91 HA GLN 91 28.410 -3.255 9.615 675 HB2 GLN 91 1HB GLN 91 31.029 -2.421 9.738 676 HB3 GLN 91 2HB GLN 91 30.316 -1.055 8.900 677 HG2 GLN 91 1HG GLN 91 29.409 -2.239 11.571 678 HG3 GLN 91 2HG GLN 91 30.427 -0.815 11.385 679 HE21 GLN 91 1HE2 GLN 91 29.157 0.695 9.403 680 HE22 GLN 91 2HE2 GLN 91 27.536 1.063 9.974 681 H ASN 92 H ASN 92 29.824 -2.264 6.478 682 HA ASN 92 HA ASN 92 27.869 -0.299 5.799 683 HB2 ASN 92 1HB ASN 92 29.637 -2.043 4.071 684 HB3 ASN 92 2HB ASN 92 28.586 -0.778 3.425 685 HD21 ASN 92 1HD2 ASN 92 31.484 -0.938 3.185 686 HD22 ASN 92 2HD2 ASN 92 32.126 0.478 4.002 687 H ARG 93 H ARG 93 27.733 -3.878 5.703 688 HA ARG 93 HA ARG 93 25.514 -4.036 3.870 689 HB2 ARG 93 1HB ARG 93 25.961 -5.929 6.220 690 HB3 ARG 93 2HB ARG 93 25.016 -6.204 4.758 691 HG2 ARG 93 1HG ARG 93 27.224 -5.879 3.455 692 HG3 ARG 93 2HG ARG 93 28.023 -6.009 5.006 693 HD2 ARG 93 1HD ARG 93 26.180 -8.137 3.899 694 HD3 ARG 93 2HD ARG 93 27.935 -8.165 3.761 695 HE ARG 93 HE ARG 93 27.468 -7.842 6.495 696 HH11 ARG 93 1HH1 ARG 93 26.426 -10.360 4.103 697 HH12 ARG 93 2HH1 ARG 93 26.702 -11.619 5.279 698 HH21 ARG 93 1HH2 ARG 93 27.770 -9.504 7.883 699 HH22 ARG 93 2HH2 ARG 93 27.475 -11.169 7.414 700 H LYS 94 H LYS 94 25.675 -3.715 7.458 701 HA LYS 94 HA LYS 94 22.863 -3.671 7.875 702 HB2 LYS 94 1HB LYS 94 24.614 -1.942 9.620 703 HB3 LYS 94 2HB LYS 94 23.229 -2.948 10.027 704 HG2 LYS 94 1HG LYS 94 24.976 -4.880 9.201 705 HG3 LYS 94 2HG LYS 94 26.107 -3.606 9.679 706 HD2 LYS 94 1HD LYS 94 25.807 -5.080 11.552 707 HD3 LYS 94 2HD LYS 94 24.953 -3.590 11.958 708 HE2 LYS 94 1HE LYS 94 22.799 -4.596 11.384 709 HE3 LYS 94 2HE LYS 94 23.594 -5.990 10.642 710 HZ1 LYS 94 3HZ LYS 94 23.641 -5.377 13.523 711 HZ2 LYS 94 1HZ LYS 94 24.357 -6.680 12.776 712 HZ3 LYS 94 2HZ LYS 94 22.724 -6.528 12.776 713 H ILE 95 H ILE 95 25.136 -1.056 6.987 714 HA ILE 95 HA ILE 95 23.244 0.980 7.386 715 HB ILE 95 HB ILE 95 25.619 0.912 5.480 716 HG12 ILE 95 1HG1 ILE 95 25.261 2.026 8.326 717 HG13 ILE 95 2HG1 ILE 95 26.149 0.561 7.927 718 HG21 ILE 95 1HG2 ILE 95 24.000 2.711 4.849 719 HG22 ILE 95 2HG2 ILE 95 24.017 3.299 6.522 720 HG23 ILE 95 3HG2 ILE 95 25.464 3.413 5.508 721 HD11 ILE 95 3HD1 ILE 95 27.780 1.884 6.623 722 HD12 ILE 95 1HD1 ILE 95 26.915 3.366 7.124 723 HD13 ILE 95 2HD1 ILE 95 27.699 2.371 8.330 724 H ALA 96 H ALA 96 24.106 -0.928 4.438 725 HA ALA 96 HA ALA 96 22.198 0.329 2.739 726 HB1 ALA 96 1HB ALA 96 23.273 -2.506 2.556 727 HB2 ALA 96 2HB ALA 96 22.536 -1.538 1.247 728 HB3 ALA 96 3HB ALA 96 24.099 -1.052 1.953 729 H ARG 97 H ARG 97 21.919 -2.402 5.018 730 HA ARG 97 HA ARG 97 19.327 -3.302 4.227 731 HB2 ARG 97 1HB ARG 97 20.858 -3.480 6.838 732 HB3 ARG 97 2HB ARG 97 19.242 -4.134 6.626 733 HG2 ARG 97 1HG ARG 97 20.009 -5.651 4.876 734 HG3 ARG 97 2HG ARG 97 21.621 -4.961 4.892 735 HD2 ARG 97 1HD ARG 97 21.404 -7.133 6.158 736 HD3 ARG 97 2HD ARG 97 22.072 -5.781 7.102 737 HE ARG 97 HE ARG 97 19.166 -6.197 7.197 738 HH11 ARG 97 1HH1 ARG 97 22.060 -7.367 8.743 739 HH12 ARG 97 2HH1 ARG 97 21.441 -7.355 10.331 740 HH21 ARG 97 1HH2 ARG 97 18.340 -5.920 9.336 741 HH22 ARG 97 2HH2 ARG 97 19.155 -6.704 10.650 742 H LYS 98 H LYS 98 20.218 -0.982 6.909 743 HA LYS 98 HA LYS 98 17.474 -0.563 7.543 744 HB2 LYS 98 1HB LYS 98 18.074 1.261 8.916 745 HB3 LYS 98 2HB LYS 98 19.254 -0.004 9.085 746 HG2 LYS 98 1HG LYS 98 20.655 1.806 9.026 747 HG3 LYS 98 2HG LYS 98 20.626 1.412 7.334 748 HD2 LYS 98 1HD LYS 98 20.277 3.699 7.212 749 HD3 LYS 98 2HD LYS 98 18.610 3.161 7.232 750 HE2 LYS 98 1HE LYS 98 18.824 5.014 8.712 751 HE3 LYS 98 2HE LYS 98 18.476 3.576 9.677 752 HZ1 LYS 98 3HZ LYS 98 20.322 5.075 10.514 753 HZ2 LYS 98 1HZ LYS 98 21.231 4.567 9.255 754 HZ3 LYS 98 2HZ LYS 98 20.703 3.494 10.394 755 H VAL 99 H VAL 99 19.546 1.241 5.150 756 HA VAL 99 HA VAL 99 17.367 3.023 4.586 757 HB VAL 99 HB VAL 99 19.740 3.530 4.120 758 HG11 VAL 99 1HG1 VAL 99 20.774 2.864 2.006 759 HG12 VAL 99 2HG1 VAL 99 20.545 1.531 3.139 760 HG13 VAL 99 3HG1 VAL 99 19.467 1.685 1.740 761 HG21 VAL 99 3HG2 VAL 99 17.880 3.800 1.720 762 HG22 VAL 99 1HG2 VAL 99 17.901 4.851 3.147 763 HG23 VAL 99 2HG2 VAL 99 19.308 4.799 2.071 764 H LEU 100 H LEU 100 18.190 -0.247 3.381 765 HA LEU 100 HA LEU 100 16.313 -0.179 1.217 766 HB2 LEU 100 1HB LEU 100 18.119 -1.845 1.352 767 HB3 LEU 100 2HB LEU 100 17.381 -2.557 2.790 768 HG LEU 100 HG LEU 100 15.439 -3.305 1.513 769 HD11 LEU 100 1HD1 LEU 100 16.648 -1.621 -0.702 770 HD12 LEU 100 2HD1 LEU 100 14.949 -1.797 -0.172 771 HD13 LEU 100 3HD1 LEU 100 15.715 -3.055 -1.126 772 HD21 LEU 100 3HD2 LEU 100 17.490 -4.699 1.560 773 HD22 LEU 100 1HD2 LEU 100 17.994 -3.962 0.016 774 HD23 LEU 100 2HD2 LEU 100 16.524 -4.953 0.109 775 H GLN 101 H GLN 101 15.958 -0.828 4.744 776 HA GLN 101 HA GLN 101 13.380 -1.968 4.610 777 HB2 GLN 101 1HB GLN 101 14.862 -1.738 6.674 778 HB3 GLN 101 2HB GLN 101 14.262 -0.088 6.841 779 HG2 GLN 101 1HG GLN 101 12.041 -0.799 7.282 780 HG3 GLN 101 2HG GLN 101 12.278 -2.347 6.482 781 HE21 GLN 101 1HE2 GLN 101 11.700 -3.741 8.065 782 HE22 GLN 101 2HE2 GLN 101 12.624 -3.970 9.541 783 H GLU 102 H GLU 102 14.430 1.488 4.767 784 HA GLU 102 HA GLU 102 11.926 2.769 4.777 785 HB2 GLU 102 1HB GLU 102 14.425 3.688 3.303 786 HB3 GLU 102 2HB GLU 102 13.126 4.705 3.825 787 HG2 GLU 102 1HG GLU 102 14.814 3.121 5.837 788 HG3 GLU 102 2HG GLU 102 15.365 4.634 5.151 789 H LYS 103 H LYS 103 13.804 1.405 2.076 790 HA LYS 103 HA LYS 103 12.041 2.418 0.010 791 HB2 LYS 103 1HB LYS 103 14.058 0.139 -0.018 792 HB3 LYS 103 2HB LYS 103 13.260 0.789 -1.434 793 HG2 LYS 103 1HG LYS 103 15.164 2.336 0.388 794 HG3 LYS 103 2HG LYS 103 15.570 1.604 -1.165 795 HD2 LYS 103 1HD LYS 103 13.804 3.039 -2.244 796 HD3 LYS 103 2HD LYS 103 13.533 3.820 -0.673 797 HE2 LYS 103 1HE LYS 103 15.889 4.566 -0.622 798 HE3 LYS 103 2HE LYS 103 16.156 3.825 -2.205 799 HZ1 LYS 103 3HZ LYS 103 14.094 5.911 -1.657 800 HZ2 LYS 103 1HZ LYS 103 14.390 5.267 -3.097 801 HZ3 LYS 103 2HZ LYS 103 15.527 6.241 -2.394 802 H VAL 104 H VAL 104 12.171 -0.634 1.846 803 HA VAL 104 HA VAL 104 10.220 -1.994 0.156 804 HB VAL 104 HB VAL 104 11.137 -2.507 3.017 805 HG11 VAL 104 1HG1 VAL 104 10.184 -4.804 2.657 806 HG12 VAL 104 2HG1 VAL 104 8.916 -3.574 2.597 807 HG13 VAL 104 3HG1 VAL 104 9.539 -4.271 1.088 808 HG21 VAL 104 3HG2 VAL 104 11.869 -3.961 0.456 809 HG22 VAL 104 1HG2 VAL 104 12.923 -2.800 1.268 810 HG23 VAL 104 2HG2 VAL 104 12.475 -4.289 2.089 811 H ASP 105 H ASP 105 10.036 0.052 3.068 812 HA ASP 105 HA ASP 105 7.321 -0.162 3.661 813 HB2 ASP 105 1HB ASP 105 8.684 0.888 5.255 814 HB3 ASP 105 2HB ASP 105 9.529 1.845 4.042 815 H VAL 106 H VAL 106 8.838 2.549 1.800 816 HA VAL 106 HA VAL 106 6.363 3.560 0.948 817 HB VAL 106 HB VAL 106 8.448 4.823 1.016 818 HG11 VAL 106 1HG1 VAL 106 9.295 3.363 -1.519 819 HG12 VAL 106 2HG1 VAL 106 10.149 4.679 -0.662 820 HG13 VAL 106 3HG1 VAL 106 9.972 3.105 0.096 821 HG21 VAL 106 3HG2 VAL 106 7.202 4.849 -1.765 822 HG22 VAL 106 1HG2 VAL 106 6.583 5.684 -0.326 823 HG23 VAL 106 2HG2 VAL 106 8.149 6.143 -1.012 824 H PHE 107 H PHE 107 8.240 0.888 -0.324 825 HA PHE 107 HA PHE 107 7.003 0.804 -2.929 826 HB2 PHE 107 1HB PHE 107 9.097 -0.366 -2.342 827 HB3 PHE 107 2HB PHE 107 8.227 -1.460 -1.291 828 HD1 PHE 107 2HD PHE 107 8.784 -0.539 -4.835 829 HD2 PHE 107 1HD PHE 107 6.976 -3.379 -2.162 830 HE1 PHE 107 2HE PHE 107 8.428 -2.085 -6.718 831 HE2 PHE 107 1HE PHE 107 6.563 -4.902 -4.051 832 HZ PHE 107 HZ PHE 107 7.294 -4.252 -6.336 833 H TYR 108 H TYR 108 6.097 -0.498 0.295 834 HA TYR 108 HA TYR 108 3.890 -2.072 -0.783 835 HB2 TYR 108 1HB TYR 108 4.556 -1.187 2.059 836 HB3 TYR 108 2HB TYR 108 3.186 -2.194 1.631 837 HD1 TYR 108 1HD TYR 108 6.125 -2.997 -0.362 838 HD2 TYR 108 2HD TYR 108 4.256 -3.701 3.445 839 HE1 TYR 108 1HE TYR 108 7.549 -4.899 -0.052 840 HE2 TYR 108 2HE TYR 108 5.692 -5.678 3.773 841 HH TYR 108 HH TYR 108 7.903 -6.766 1.165 842 H ASN 109 H ASN 109 4.260 1.090 0.774 843 HA ASN 109 HA ASN 109 1.471 1.742 0.857 844 HB2 ASN 109 1HB ASN 109 3.845 3.661 0.804 845 HB3 ASN 109 2HB ASN 109 2.222 4.001 1.397 846 HD21 ASN 109 1HD2 ASN 109 5.078 3.900 2.764 847 HD22 ASN 109 2HD2 ASN 109 4.906 2.772 4.043 848 H SER 110 H SER 110 4.032 2.990 -1.341 849 HA SER 110 HA SER 110 1.986 3.936 -3.232 850 HB2 SER 110 1HB SER 110 4.019 5.251 -2.214 851 HB3 SER 110 2HB SER 110 4.954 4.406 -3.461 852 HG SER 110 HG SER 110 2.767 6.195 -3.695 853 H GLY 111 H GLY 111 1.630 1.509 -3.458 854 HA2 GLY 111 1HA GLY 111 3.061 0.597 -5.892 855 HA3 GLY 111 2HA GLY 111 2.958 -0.501 -4.502 856 HA PRO 112 HA PRO 112 -0.932 -0.451 -7.358 857 HB2 PRO 112 1HB PRO 112 -0.594 -2.884 -8.647 858 HB3 PRO 112 2HB PRO 112 -0.048 -1.304 -9.294 859 HG2 PRO 112 1HG PRO 112 1.569 -3.361 -7.760 860 HG3 PRO 112 2HG PRO 112 2.020 -2.498 -9.265 861 HD2 PRO 112 1HD PRO 112 2.898 -1.660 -6.848 862 HD3 PRO 112 2HD PRO 112 2.391 -0.472 -8.091 863 H SER 113 H SER 113 -2.713 -1.173 -6.275 864 HA SER 113 HA SER 113 -2.599 -3.720 -4.794 865 HB2 SER 113 1HB SER 113 -3.485 -1.058 -3.576 866 HB3 SER 113 2HB SER 113 -3.466 -2.639 -2.777 867 HG SER 113 HG SER 113 -1.201 -1.159 -3.700 868 H SER 114 H SER 114 -4.746 -4.405 -4.139 869 HA SER 114 HA SER 114 -7.083 -3.100 -5.370 870 HB2 SER 114 1HB SER 114 -6.061 -4.886 -6.967 871 HB3 SER 114 2HB SER 114 -6.633 -6.066 -5.772 872 HG SER 114 HG SER 114 -8.299 -5.836 -7.136 873 H GLY 115 H GLY 115 -6.616 -2.644 -2.995 874 HA2 GLY 115 1HA GLY 115 -8.517 -3.447 -1.259 875 HA3 GLY 115 2HA GLY 115 -7.144 -4.551 -0.934 Start of MODEL 8 1 H1 GLY 1 H GLY 1-106.570 -7.568 23.788 2 HA2 GLY 1 1HA GLY 1-104.522 -9.134 22.302 3 HA3 GLY 1 2HA GLY 1-104.258 -7.463 22.866 4 H SER 2 H SER 2-102.647 -9.793 23.736 5 HA SER 2 HA SER 2-103.176 -9.650 26.620 6 HB2 SER 2 1HB SER 2-102.483 -12.234 25.167 7 HB3 SER 2 2HB SER 2-102.964 -12.023 26.858 8 HG SER 2 HG SER 2-104.731 -12.765 25.752 9 H SER 3 H SER 3-101.077 -10.480 27.780 10 HA SER 3 HA SER 3 -98.639 -10.447 26.227 11 HB2 SER 3 1HB SER 3 -97.770 -8.558 27.753 12 HB3 SER 3 2HB SER 3 -98.842 -8.094 26.424 13 HG SER 3 HG SER 3 -99.389 -7.103 28.443 14 H GLY 4 H GLY 4 -96.758 -10.713 27.968 15 HA2 GLY 4 1HA GLY 4 -97.008 -11.507 30.545 16 HA3 GLY 4 2HA GLY 4 -97.427 -12.968 29.613 17 H SER 5 H SER 5 -95.179 -13.471 30.911 18 HA SER 5 HA SER 5 -93.164 -13.605 28.911 19 HB2 SER 5 1HB SER 5 -91.398 -12.379 30.066 20 HB3 SER 5 2HB SER 5 -92.724 -11.280 29.686 21 HG SER 5 HG SER 5 -93.394 -11.414 31.835 22 H SER 6 H SER 6 -91.088 -14.598 30.208 23 HA SER 6 HA SER 6 -92.113 -16.521 32.246 24 HB2 SER 6 1HB SER 6 -90.128 -17.217 30.067 25 HB3 SER 6 2HB SER 6 -91.018 -18.312 31.138 26 HG SER 6 HG SER 6 -92.941 -17.643 30.057 27 H GLY 7 H GLY 7 -90.194 -13.925 32.059 28 HA2 GLY 7 1HA GLY 7 -88.319 -13.193 33.193 29 HA3 GLY 7 2HA GLY 7 -88.669 -14.503 34.338 30 H LYS 8 H LYS 8 -86.541 -15.005 34.691 31 HA LYS 8 HA LYS 8 -85.246 -17.041 33.732 32 HB2 LYS 8 1HB LYS 8 -83.311 -16.406 32.509 33 HB3 LYS 8 2HB LYS 8 -84.702 -16.051 31.542 34 HG2 LYS 8 1HG LYS 8 -83.437 -13.832 33.201 35 HG3 LYS 8 2HG LYS 8 -82.590 -14.418 31.787 36 HD2 LYS 8 1HD LYS 8 -85.386 -13.226 31.745 37 HD3 LYS 8 2HD LYS 8 -83.894 -12.403 31.326 38 HE2 LYS 8 1HE LYS 8 -84.007 -13.137 29.219 39 HE3 LYS 8 2HE LYS 8 -83.843 -14.794 29.805 40 HZ1 LYS 8 3HZ LYS 8 -85.826 -14.635 28.527 41 HZ2 LYS 8 1HZ LYS 8 -86.380 -13.341 29.384 42 HZ3 LYS 8 2HZ LYS 8 -86.280 -14.811 30.102 43 H TRP 9 H TRP 9 -82.822 -17.040 34.699 44 HA TRP 9 HA TRP 9 -82.296 -14.993 36.640 45 HB2 TRP 9 1HB TRP 9 -82.422 -16.444 38.589 46 HB3 TRP 9 2HB TRP 9 -83.999 -16.298 37.860 47 HD1 TRP 9 HD TRP 9 -85.025 -18.485 36.684 48 HE1 TRP 9 1HE TRP 9 -84.576 -20.984 37.015 49 HE3 TRP 9 3HE TRP 9 -80.581 -18.196 39.210 50 HZ2 TRP 9 2HZ TRP 9 -82.526 -22.655 38.182 51 HZ3 TRP 9 3HZ TRP 9 -79.413 -20.259 39.936 52 HH2 TRP 9 HH TRP 9 -80.378 -22.489 39.423 53 H GLY 10 H GLY 10 -80.296 -15.881 37.946 54 HA2 GLY 10 1HA GLY 10 -78.307 -17.134 38.029 55 HA3 GLY 10 2HA GLY 10 -78.596 -17.736 36.385 56 H LEU 11 H LEU 11 -76.096 -16.730 37.136 57 HA LEU 11 HA LEU 11 -75.720 -14.512 35.279 58 HB2 LEU 11 1HB LEU 11 -74.994 -14.425 38.248 59 HB3 LEU 11 2HB LEU 11 -74.114 -13.473 37.066 60 HG LEU 11 HG LEU 11 -77.086 -13.199 37.574 61 HD11 LEU 11 1HD1 LEU 11 -75.744 -12.503 39.518 62 HD12 LEU 11 2HD1 LEU 11 -76.485 -11.109 38.724 63 HD13 LEU 11 3HD1 LEU 11 -74.761 -11.449 38.476 64 HD21 LEU 11 3HD2 LEU 11 -76.826 -11.063 36.304 65 HD22 LEU 11 1HD2 LEU 11 -76.527 -12.472 35.299 66 HD23 LEU 11 2HD2 LEU 11 -75.155 -11.510 35.908 67 H ARG 12 H ARG 12 -73.315 -14.220 34.962 68 HA ARG 12 HA ARG 12 -71.613 -16.445 35.752 69 HB2 ARG 12 1HB ARG 12 -72.793 -17.358 33.755 70 HB3 ARG 12 2HB ARG 12 -72.326 -15.937 32.827 71 HG2 ARG 12 1HG ARG 12 -70.986 -17.970 32.327 72 HG3 ARG 12 2HG ARG 12 -70.050 -16.536 32.762 73 HD2 ARG 12 1HD ARG 12 -69.195 -18.665 33.744 74 HD3 ARG 12 2HD ARG 12 -69.518 -17.359 34.887 75 HE ARG 12 HE ARG 12 -71.763 -19.149 34.604 76 HH11 ARG 12 1HH1 ARG 12 -68.674 -18.703 36.304 77 HH12 ARG 12 2HH1 ARG 12 -69.087 -19.695 37.649 78 HH21 ARG 12 1HH2 ARG 12 -72.365 -20.428 36.432 79 HH22 ARG 12 2HH2 ARG 12 -71.257 -20.720 37.713 80 H LEU 13 H LEU 13 -69.550 -15.734 35.922 81 HA LEU 13 HA LEU 13 -68.370 -13.602 34.455 82 HB2 LEU 13 1HB LEU 13 -69.807 -12.831 36.780 83 HB3 LEU 13 2HB LEU 13 -68.176 -13.014 37.361 84 HG LEU 13 HG LEU 13 -68.630 -10.727 36.755 85 HD11 LEU 13 1HD1 LEU 13 -66.317 -11.476 36.336 86 HD12 LEU 13 2HD1 LEU 13 -66.813 -10.203 35.231 87 HD13 LEU 13 3HD1 LEU 13 -66.748 -11.862 34.639 88 HD21 LEU 13 3HD2 LEU 13 -70.412 -11.123 35.083 89 HD22 LEU 13 1HD2 LEU 13 -69.194 -11.632 33.898 90 HD23 LEU 13 2HD2 LEU 13 -69.195 -9.972 34.517 91 H GLN 14 H GLN 14 -66.160 -13.294 35.820 92 HA GLN 14 HA GLN 14 -64.695 -14.496 37.437 93 HB2 GLN 14 1HB GLN 14 -63.733 -16.450 36.925 94 HB3 GLN 14 2HB GLN 14 -65.316 -16.844 36.396 95 HG2 GLN 14 1HG GLN 14 -62.820 -16.283 34.776 96 HG3 GLN 14 2HG GLN 14 -63.785 -17.740 34.815 97 HE21 GLN 14 1HE2 GLN 14 -66.405 -16.544 34.317 98 HE22 GLN 14 2HE2 GLN 14 -66.309 -15.969 32.636 99 H GLU 15 H GLU 15 -62.186 -14.431 36.641 100 HA GLU 15 HA GLU 15 -61.966 -12.859 34.250 101 HB2 GLU 15 1HB GLU 15 -62.358 -11.201 36.090 102 HB3 GLU 15 2HB GLU 15 -60.873 -11.739 36.870 103 HG2 GLU 15 1HG GLU 15 -60.880 -9.581 35.329 104 HG3 GLU 15 2HG GLU 15 -59.515 -10.708 35.290 105 H LYS 16 H LYS 16 -59.366 -12.490 33.904 106 HA LYS 16 HA LYS 16 -58.176 -15.151 34.368 107 HB2 LYS 16 1HB LYS 16 -58.269 -13.225 32.000 108 HB3 LYS 16 2HB LYS 16 -56.963 -14.370 32.158 109 HG2 LYS 16 1HG LYS 16 -58.526 -15.349 30.691 110 HG3 LYS 16 2HG LYS 16 -58.524 -16.252 32.194 111 HD2 LYS 16 1HD LYS 16 -60.710 -16.225 31.511 112 HD3 LYS 16 2HD LYS 16 -60.705 -15.100 32.825 113 HE2 LYS 16 1HE LYS 16 -60.539 -14.281 29.879 114 HE3 LYS 16 2HE LYS 16 -62.076 -14.565 30.696 115 HZ1 LYS 16 3HZ LYS 16 -60.207 -12.458 31.664 116 HZ2 LYS 16 1HZ LYS 16 -61.736 -12.639 32.065 117 HZ3 LYS 16 2HZ LYS 16 -61.385 -12.193 30.578 118 HA PRO 17 HA PRO 17 -54.718 -12.985 36.118 119 HB2 PRO 17 1HB PRO 17 -52.643 -14.697 35.609 120 HB3 PRO 17 2HB PRO 17 -53.983 -15.150 36.708 121 HG2 PRO 17 1HG PRO 17 -53.690 -15.837 33.754 122 HG3 PRO 17 2HG PRO 17 -54.033 -16.956 35.117 123 HD2 PRO 17 1HD PRO 17 -56.059 -15.929 33.576 124 HD3 PRO 17 2HD PRO 17 -56.243 -16.145 35.340 125 H ALA 18 H ALA 18 -52.614 -11.899 35.457 126 HA ALA 18 HA ALA 18 -52.076 -11.711 32.579 127 HB1 ALA 18 1HB ALA 18 -52.163 -9.241 32.680 128 HB2 ALA 18 2HB ALA 18 -53.753 -9.939 33.044 129 HB3 ALA 18 3HB ALA 18 -52.732 -9.322 34.362 130 H LEU 19 H LEU 19 -50.002 -10.439 32.244 131 HA LEU 19 HA LEU 19 -48.202 -10.013 34.427 132 HB2 LEU 19 1HB LEU 19 -46.602 -11.657 34.024 133 HB3 LEU 19 2HB LEU 19 -48.103 -12.549 34.124 134 HG LEU 19 HG LEU 19 -46.608 -11.833 31.541 135 HD11 LEU 19 1HD1 LEU 19 -45.418 -13.458 32.941 136 HD12 LEU 19 2HD1 LEU 19 -46.041 -14.215 31.473 137 HD13 LEU 19 3HD1 LEU 19 -46.873 -14.478 33.025 138 HD21 LEU 19 3HD2 LEU 19 -48.972 -12.063 31.008 139 HD22 LEU 19 1HD2 LEU 19 -49.090 -13.556 31.971 140 HD23 LEU 19 2HD2 LEU 19 -48.129 -13.513 30.475 141 H LEU 20 H LEU 20 -45.898 -9.604 33.303 142 HA LEU 20 HA LEU 20 -46.145 -8.315 30.695 143 HB2 LEU 20 1HB LEU 20 -44.910 -6.408 31.559 144 HB3 LEU 20 2HB LEU 20 -46.496 -6.501 32.287 145 HG LEU 20 HG LEU 20 -44.294 -7.833 33.842 146 HD11 LEU 20 1HD1 LEU 20 -44.387 -4.801 33.554 147 HD12 LEU 20 2HD1 LEU 20 -43.080 -5.871 32.991 148 HD13 LEU 20 3HD1 LEU 20 -43.404 -5.713 34.725 149 HD21 LEU 20 3HD2 LEU 20 -45.408 -6.765 35.740 150 HD22 LEU 20 1HD2 LEU 20 -46.601 -7.601 34.738 151 HD23 LEU 20 2HD2 LEU 20 -46.451 -5.837 34.645 152 H PHE 21 H PHE 21 -43.687 -7.658 30.108 153 HA PHE 21 HA PHE 21 -41.914 -9.889 30.921 154 HB2 PHE 21 1HB PHE 21 -42.537 -8.705 28.195 155 HB3 PHE 21 2HB PHE 21 -41.037 -9.547 28.498 156 HD1 PHE 21 2HD PHE 21 -44.766 -10.013 28.563 157 HD2 PHE 21 1HD PHE 21 -40.894 -11.919 28.468 158 HE1 PHE 21 2HE PHE 21 -45.847 -12.200 28.157 159 HE2 PHE 21 1HE PHE 21 -41.986 -14.100 28.044 160 HZ PHE 21 HZ PHE 21 -44.464 -14.250 27.891 161 HA PRO 22 HA PRO 22 -39.025 -6.590 31.730 162 HB2 PRO 22 1HB PRO 22 -36.671 -7.931 31.877 163 HB3 PRO 22 2HB PRO 22 -38.014 -8.330 32.988 164 HG2 PRO 22 1HG PRO 22 -37.287 -9.724 30.379 165 HG3 PRO 22 2HG PRO 22 -37.549 -10.470 31.990 166 HD2 PRO 22 1HD PRO 22 -39.531 -10.292 30.086 167 HD3 PRO 22 2HD PRO 22 -39.876 -10.208 31.841 168 H GLY 23 H GLY 23 -36.691 -5.834 30.833 169 HA2 GLY 23 1HA GLY 23 -36.457 -6.152 27.904 170 HA3 GLY 23 2HA GLY 23 -36.634 -4.529 28.617 171 H MET 24 H MET 24 -34.291 -5.109 27.189 172 HA MET 24 HA MET 24 -32.214 -4.925 29.234 173 HB2 MET 24 1HB MET 24 -32.527 -7.353 28.537 174 HB3 MET 24 2HB MET 24 -32.138 -6.893 26.880 175 HG2 MET 24 1HG MET 24 -30.289 -6.462 29.256 176 HG3 MET 24 2HG MET 24 -30.324 -7.932 28.288 177 HE1 MET 24 3HE MET 24 -26.987 -6.854 26.905 178 HE2 MET 24 1HE MET 24 -27.556 -6.924 28.588 179 HE3 MET 24 2HE MET 24 -28.030 -8.186 27.430 180 H ALA 25 H ALA 25 -30.599 -3.440 28.424 181 HA ALA 25 HA ALA 25 -30.601 -2.693 25.599 182 HB1 ALA 25 1HB ALA 25 -32.465 -1.327 26.456 183 HB2 ALA 25 2HB ALA 25 -31.422 -0.681 27.746 184 HB3 ALA 25 3HB ALA 25 -31.076 -0.310 26.044 185 H ALA 26 H ALA 26 -28.479 -3.899 26.486 186 HA ALA 26 HA ALA 26 -26.660 -2.131 27.955 187 HB1 ALA 26 1HB ALA 26 -26.441 -4.581 28.163 188 HB2 ALA 26 2HB ALA 26 -26.036 -4.678 26.419 189 HB3 ALA 26 3HB ALA 26 -24.976 -3.793 27.541 190 H SER 27 H SER 27 -25.088 -0.861 27.086 191 HA SER 27 HA SER 27 -25.396 0.083 24.397 192 HB2 SER 27 1HB SER 27 -24.827 1.349 26.498 193 HB3 SER 27 2HB SER 27 -23.232 0.606 26.486 194 HG SER 27 HG SER 27 -24.165 2.026 24.199 195 H THR 28 H THR 28 -23.539 0.344 22.893 196 HA THR 28 HA THR 28 -21.894 -2.114 22.662 197 HB THR 28 HB THR 28 -21.740 -1.243 20.247 198 HG1 THR 28 1HG THR 28 -22.659 0.887 20.754 199 HG21 THR 28 3HG2 THR 28 -23.126 -3.161 20.905 200 HG22 THR 28 1HG2 THR 28 -23.985 -2.178 19.706 201 HG23 THR 28 2HG2 THR 28 -24.442 -2.082 21.414 202 H VAL 29 H VAL 29 -19.704 -1.734 21.680 203 HA VAL 29 HA VAL 29 -18.448 0.743 22.783 204 HB VAL 29 HB VAL 29 -17.323 -2.091 22.688 205 HG11 VAL 29 1HG1 VAL 29 -15.517 -1.161 24.101 206 HG12 VAL 29 2HG1 VAL 29 -15.569 -0.365 22.531 207 HG13 VAL 29 3HG1 VAL 29 -16.225 0.463 23.963 208 HG21 VAL 29 3HG2 VAL 29 -17.509 -1.990 25.176 209 HG22 VAL 29 1HG2 VAL 29 -18.357 -0.437 25.026 210 HG23 VAL 29 2HG2 VAL 29 -19.087 -1.931 24.408 211 H GLN 30 H GLN 30 -16.876 1.711 21.447 212 HA GLN 30 HA GLN 30 -17.279 1.362 18.649 213 HB2 GLN 30 1HB GLN 30 -15.473 2.994 20.388 214 HB3 GLN 30 2HB GLN 30 -14.947 2.758 18.729 215 HG2 GLN 30 1HG GLN 30 -17.646 3.871 19.574 216 HG3 GLN 30 2HG GLN 30 -16.274 4.828 18.999 217 HE21 GLN 30 1HE2 GLN 30 -19.147 3.493 17.999 218 HE22 GLN 30 2HE2 GLN 30 -18.837 3.232 16.300 219 H VAL 31 H VAL 31 -16.189 0.355 17.099 220 HA VAL 31 HA VAL 31 -14.499 -1.872 17.824 221 HB VAL 31 HB VAL 31 -15.244 -1.017 14.999 222 HG11 VAL 31 1HG1 VAL 31 -13.913 -3.064 15.224 223 HG12 VAL 31 2HG1 VAL 31 -15.063 -3.698 16.432 224 HG13 VAL 31 3HG1 VAL 31 -15.543 -3.505 14.740 225 HG21 VAL 31 3HG2 VAL 31 -17.422 -2.296 15.246 226 HG22 VAL 31 1HG2 VAL 31 -17.182 -2.259 17.000 227 HG23 VAL 31 2HG2 VAL 31 -17.404 -0.752 16.081 228 H ALA 32 H ALA 32 -12.536 -2.278 16.315 229 HA ALA 32 HA ALA 32 -10.993 0.069 15.516 230 HB1 ALA 32 1HB ALA 32 -10.284 -0.328 17.870 231 HB2 ALA 32 2HB ALA 32 -10.017 -2.043 17.498 232 HB3 ALA 32 3HB ALA 32 -9.005 -0.820 16.732 233 H GLY 33 H GLY 33 -9.491 -0.543 13.913 234 HA2 GLY 33 1HA GLY 33 -9.470 -3.373 12.951 235 HA3 GLY 33 2HA GLY 33 -9.812 -2.024 11.865 236 H ARG 34 H ARG 34 -7.992 -0.083 12.342 237 HA ARG 34 HA ARG 34 -5.326 -1.162 12.763 238 HB2 ARG 34 1HB ARG 34 -4.530 -0.332 10.509 239 HB3 ARG 34 2HB ARG 34 -5.431 -1.824 10.554 240 HG2 ARG 34 1HG ARG 34 -6.156 -0.847 8.638 241 HG3 ARG 34 2HG ARG 34 -7.478 -0.473 9.737 242 HD2 ARG 34 1HD ARG 34 -6.515 1.810 9.986 243 HD3 ARG 34 2HD ARG 34 -5.230 1.390 8.824 244 HE ARG 34 HE ARG 34 -8.036 2.070 8.383 245 HH11 ARG 34 1HH1 ARG 34 -5.056 0.930 6.672 246 HH12 ARG 34 2HH1 ARG 34 -5.796 1.150 5.130 247 HH21 ARG 34 1HH2 ARG 34 -8.751 2.589 6.404 248 HH22 ARG 34 2HH2 ARG 34 -7.875 2.160 4.940 249 H LYS 35 H LYS 35 -3.876 0.505 13.252 250 HA LYS 35 HA LYS 35 -4.401 3.302 12.920 251 HB2 LYS 35 1HB LYS 35 -4.878 2.086 15.646 252 HB3 LYS 35 2HB LYS 35 -4.264 3.707 15.525 253 HG2 LYS 35 1HG LYS 35 -6.270 4.545 15.322 254 HG3 LYS 35 2HG LYS 35 -6.462 3.769 13.775 255 HD2 LYS 35 1HD LYS 35 -8.335 3.074 15.127 256 HD3 LYS 35 2HD LYS 35 -7.239 1.677 15.061 257 HE2 LYS 35 1HE LYS 35 -6.174 2.881 17.216 258 HE3 LYS 35 2HE LYS 35 -7.779 3.612 17.343 259 HZ1 LYS 35 3HZ LYS 35 -7.459 1.573 18.591 260 HZ2 LYS 35 1HZ LYS 35 -7.168 0.723 17.237 261 HZ3 LYS 35 2HZ LYS 35 -8.686 1.384 17.504 262 H ASP 36 H ASP 36 -2.330 0.995 13.035 263 HA ASP 36 HA ASP 36 -0.039 2.737 13.883 264 HB2 ASP 36 1HB ASP 36 -0.821 0.568 15.135 265 HB3 ASP 36 2HB ASP 36 0.048 -0.287 13.879 266 H TYR 37 H TYR 37 -1.307 2.756 11.258 267 HA TYR 37 HA TYR 37 -0.130 1.106 9.358 268 HB2 TYR 37 1HB TYR 37 -0.537 3.596 8.123 269 HB3 TYR 37 2HB TYR 37 -1.491 2.156 8.039 270 HD1 TYR 37 2HD TYR 37 -3.197 1.845 10.167 271 HD2 TYR 37 1HD TYR 37 -1.653 5.561 8.623 272 HE1 TYR 37 2HE TYR 37 -5.239 3.076 10.951 273 HE2 TYR 37 1HE TYR 37 -3.649 6.755 9.458 274 HH TYR 37 HH TYR 37 -6.454 5.016 10.803 275 HA PRO 38 HA PRO 38 3.444 4.167 8.585 276 HB2 PRO 38 1HB PRO 38 3.920 6.291 10.219 277 HB3 PRO 38 2HB PRO 38 2.789 6.363 8.831 278 HG2 PRO 38 1HG PRO 38 2.102 5.878 11.754 279 HG3 PRO 38 2HG PRO 38 1.345 7.045 10.624 280 HD2 PRO 38 1HD PRO 38 0.215 4.620 11.061 281 HD3 PRO 38 2HD PRO 38 0.273 5.347 9.431 282 H ALA 39 H ALA 39 4.416 2.328 9.231 283 HA ALA 39 HA ALA 39 6.072 2.368 11.640 284 HB1 ALA 39 1HB ALA 39 5.276 0.179 12.443 285 HB2 ALA 39 2HB ALA 39 3.915 1.321 12.429 286 HB3 ALA 39 3HB ALA 39 4.047 0.115 11.150 287 H LEU 40 H LEU 40 7.939 1.376 11.139 288 HA LEU 40 HA LEU 40 8.509 0.537 8.469 289 HB2 LEU 40 1HB LEU 40 10.067 0.213 11.068 290 HB3 LEU 40 2HB LEU 40 10.658 -0.383 9.520 291 HG LEU 40 HG LEU 40 10.154 2.526 10.260 292 HD11 LEU 40 1HD1 LEU 40 12.187 1.510 11.202 293 HD12 LEU 40 2HD1 LEU 40 12.608 2.688 9.943 294 HD13 LEU 40 3HD1 LEU 40 12.683 0.944 9.589 295 HD21 LEU 40 3HD2 LEU 40 11.235 3.013 8.026 296 HD22 LEU 40 1HD2 LEU 40 9.606 2.341 7.912 297 HD23 LEU 40 2HD2 LEU 40 11.035 1.313 7.603 298 H LEU 41 H LEU 41 7.526 -1.121 7.717 299 HA LEU 41 HA LEU 41 6.555 -3.371 9.194 300 HB2 LEU 41 1HB LEU 41 5.965 -4.414 7.110 301 HB3 LEU 41 2HB LEU 41 5.542 -2.722 7.126 302 HG LEU 41 HG LEU 41 7.723 -2.318 5.756 303 HD11 LEU 41 1HD1 LEU 41 7.314 -5.343 5.438 304 HD12 LEU 41 2HD1 LEU 41 8.815 -4.523 5.896 305 HD13 LEU 41 3HD1 LEU 41 8.196 -4.376 4.256 306 HD21 LEU 41 3HD2 LEU 41 5.458 -2.060 4.876 307 HD22 LEU 41 1HD2 LEU 41 5.383 -3.798 4.521 308 HD23 LEU 41 2HD2 LEU 41 6.549 -2.764 3.670 309 HA PRO 42 HA PRO 42 10.277 -5.576 9.852 310 HB2 PRO 42 1HB PRO 42 9.463 -8.164 10.139 311 HB3 PRO 42 2HB PRO 42 9.110 -6.891 11.341 312 HG2 PRO 42 1HG PRO 42 7.298 -7.924 9.143 313 HG3 PRO 42 2HG PRO 42 6.903 -7.645 10.869 314 HD2 PRO 42 1HD PRO 42 6.315 -5.815 8.926 315 HD3 PRO 42 2HD PRO 42 6.819 -5.311 10.569 316 H LEU 43 H LEU 43 11.878 -6.669 8.788 317 HA LEU 43 HA LEU 43 11.355 -7.545 5.976 318 HB2 LEU 43 1HB LEU 43 13.628 -6.149 7.427 319 HB3 LEU 43 2HB LEU 43 13.967 -7.115 5.978 320 HG LEU 43 HG LEU 43 12.227 -4.656 6.218 321 HD11 LEU 43 1HD1 LEU 43 14.623 -4.251 6.290 322 HD12 LEU 43 2HD1 LEU 43 14.098 -3.842 4.635 323 HD13 LEU 43 3HD1 LEU 43 14.923 -5.363 4.962 324 HD21 LEU 43 3HD2 LEU 43 11.124 -5.933 4.521 325 HD22 LEU 43 1HD2 LEU 43 12.668 -6.395 3.772 326 HD23 LEU 43 2HD2 LEU 43 12.087 -4.711 3.714 327 H ASN 44 H ASN 44 12.632 -9.285 5.116 328 HA ASN 44 HA ASN 44 13.491 -11.272 7.180 329 HB2 ASN 44 1HB ASN 44 11.484 -11.900 5.807 330 HB3 ASN 44 2HB ASN 44 12.487 -11.817 4.362 331 HD21 ASN 44 1HD2 ASN 44 11.772 -14.200 4.265 332 HD22 ASN 44 2HD2 ASN 44 12.694 -15.363 5.165 333 H GLU 45 H GLU 45 15.698 -10.921 7.328 334 HA GLU 45 HA GLU 45 17.313 -10.074 5.123 335 HB2 GLU 45 1HB GLU 45 19.167 -10.316 6.580 336 HB3 GLU 45 2HB GLU 45 17.819 -9.644 7.496 337 HG2 GLU 45 1HG GLU 45 17.446 -11.802 8.609 338 HG3 GLU 45 2HG GLU 45 18.670 -12.569 7.595 339 H SER 46 H SER 46 16.168 -13.204 6.045 340 HA SER 46 HA SER 46 18.218 -14.752 4.704 341 HB2 SER 46 1HB SER 46 15.480 -15.535 5.768 342 HB3 SER 46 2HB SER 46 16.840 -16.610 5.431 343 HG SER 46 HG SER 46 17.866 -15.937 7.172 344 H GLU 47 H GLU 47 15.817 -12.815 3.399 345 HA GLU 47 HA GLU 47 15.322 -14.690 1.125 346 HB2 GLU 47 1HB GLU 47 13.442 -14.144 2.788 347 HB3 GLU 47 2HB GLU 47 13.445 -12.526 2.116 348 HG2 GLU 47 1HG GLU 47 11.760 -13.644 0.934 349 HG3 GLU 47 2HG GLU 47 13.139 -13.776 -0.168 350 H LEU 48 H LEU 48 17.482 -12.621 1.614 351 HA LEU 48 HA LEU 48 16.867 -10.788 -0.669 352 HB2 LEU 48 1HB LEU 48 18.951 -10.246 1.439 353 HB3 LEU 48 2HB LEU 48 18.280 -9.141 0.245 354 HG LEU 48 HG LEU 48 16.923 -10.208 2.742 355 HD11 LEU 48 1HD1 LEU 48 18.593 -8.364 2.976 356 HD12 LEU 48 2HD1 LEU 48 16.966 -7.909 3.478 357 HD13 LEU 48 3HD1 LEU 48 17.602 -7.361 1.902 358 HD21 LEU 48 3HD2 LEU 48 14.959 -8.880 2.261 359 HD22 LEU 48 1HD2 LEU 48 15.178 -10.027 0.994 360 HD23 LEU 48 2HD2 LEU 48 15.666 -8.357 0.678 361 H GLU 49 H GLU 49 18.772 -10.261 -2.005 362 HA GLU 49 HA GLU 49 20.789 -12.463 -2.215 363 HB2 GLU 49 1HB GLU 49 19.332 -10.960 -4.433 364 HB3 GLU 49 2HB GLU 49 20.626 -12.144 -4.670 365 HG2 GLU 49 1HG GLU 49 19.198 -13.907 -3.691 366 HG3 GLU 49 2HG GLU 49 17.912 -12.737 -3.409 367 H GLU 50 H GLU 50 22.425 -11.301 -1.207 368 HA GLU 50 HA GLU 50 22.975 -8.517 -1.936 369 HB2 GLU 50 1HB GLU 50 24.466 -8.492 -0.117 370 HB3 GLU 50 2HB GLU 50 23.063 -9.388 0.434 371 HG2 GLU 50 1HG GLU 50 25.754 -10.552 -0.405 372 HG3 GLU 50 2HG GLU 50 25.108 -10.449 1.230 373 H GLN 51 H GLN 51 25.244 -7.851 -2.393 374 HA GLN 51 HA GLN 51 26.974 -9.775 -3.731 375 HB2 GLN 51 1HB GLN 51 25.718 -7.416 -5.198 376 HB3 GLN 51 2HB GLN 51 27.157 -8.261 -5.730 377 HG2 GLN 51 1HG GLN 51 25.607 -9.253 -7.043 378 HG3 GLN 51 2HG GLN 51 25.680 -10.404 -5.724 379 HE21 GLN 51 1HE2 GLN 51 23.854 -7.812 -4.473 380 HE22 GLN 51 2HE2 GLN 51 22.321 -8.603 -4.785 381 H PHE 52 H PHE 52 29.039 -8.410 -4.428 382 HA PHE 52 HA PHE 52 29.565 -6.259 -2.439 383 HB2 PHE 52 1HB PHE 52 31.383 -8.599 -3.151 384 HB3 PHE 52 2HB PHE 52 31.761 -7.288 -2.043 385 HD1 PHE 52 1HD PHE 52 29.797 -10.412 -2.501 386 HD2 PHE 52 2HD PHE 52 30.778 -7.210 0.220 387 HE1 PHE 52 1HE PHE 52 28.797 -11.689 -0.632 388 HE2 PHE 52 2HE PHE 52 29.817 -8.527 2.093 389 HZ PHE 52 HZ PHE 52 28.814 -10.764 1.666 390 H VAL 53 H VAL 53 31.317 -4.791 -3.146 391 HA VAL 53 HA VAL 53 31.474 -4.665 -6.092 392 HB VAL 53 HB VAL 53 31.899 -2.571 -3.921 393 HG11 VAL 53 1HG1 VAL 53 31.894 -0.924 -5.789 394 HG12 VAL 53 2HG1 VAL 53 33.303 -1.964 -5.794 395 HG13 VAL 53 3HG1 VAL 53 31.974 -2.263 -6.956 396 HG21 VAL 53 3HG2 VAL 53 29.527 -3.166 -4.173 397 HG22 VAL 53 1HG2 VAL 53 29.797 -1.587 -4.901 398 HG23 VAL 53 2HG2 VAL 53 29.641 -3.019 -5.938 399 H LYS 54 H LYS 54 33.387 -4.432 -7.137 400 HA LYS 54 HA LYS 54 36.001 -4.584 -5.785 401 HB2 LYS 54 1HB LYS 54 35.126 -6.562 -7.940 402 HB3 LYS 54 2HB LYS 54 36.726 -6.435 -7.219 403 HG2 LYS 54 1HG LYS 54 35.685 -7.072 -4.991 404 HG3 LYS 54 2HG LYS 54 34.200 -7.465 -5.883 405 HD2 LYS 54 1HD LYS 54 36.966 -8.692 -6.309 406 HD3 LYS 54 2HD LYS 54 35.596 -9.462 -5.489 407 HE2 LYS 54 1HE LYS 54 34.284 -9.422 -7.591 408 HE3 LYS 54 2HE LYS 54 35.617 -8.605 -8.422 409 HZ1 LYS 54 3HZ LYS 54 36.986 -10.550 -8.042 410 HZ2 LYS 54 1HZ LYS 54 35.630 -10.961 -8.865 411 HZ3 LYS 54 2HZ LYS 54 35.755 -11.324 -7.269 412 H GLY 55 H GLY 55 34.365 -2.570 -7.307 413 HA2 GLY 55 1HA GLY 55 34.821 -0.988 -8.964 414 HA3 GLY 55 2HA GLY 55 36.356 -1.831 -9.307 415 H HIS 56 H HIS 56 36.058 -2.038 -11.535 416 HA HIS 56 HA HIS 56 35.427 -2.824 -13.502 417 HB2 HIS 56 1HB HIS 56 36.041 -4.901 -12.251 418 HB3 HIS 56 2HB HIS 56 34.337 -5.246 -12.040 419 HD1 HIS 56 1HD HIS 56 33.109 -4.943 -14.919 420 HD2 HIS 56 2HD HIS 56 37.031 -6.332 -14.109 421 HE1 HIS 56 1HE HIS 56 33.838 -6.302 -16.917 422 H GLY 57 H GLY 57 32.557 -4.309 -11.943 423 HA2 GLY 57 1HA GLY 57 30.239 -3.863 -12.319 424 HA3 GLY 57 2HA GLY 57 30.770 -2.197 -12.620 425 HA PRO 58 HA PRO 58 29.391 -4.011 -16.669 426 HB2 PRO 58 1HB PRO 58 27.517 -2.148 -17.339 427 HB3 PRO 58 2HB PRO 58 27.185 -3.458 -16.172 428 HG2 PRO 58 1HG PRO 58 27.985 -0.597 -15.560 429 HG3 PRO 58 2HG PRO 58 26.658 -1.562 -14.826 430 HD2 PRO 58 1HD PRO 58 29.119 -1.241 -13.685 431 HD3 PRO 58 2HD PRO 58 28.120 -2.712 -13.463 432 H GLY 59 H GLY 59 31.578 -1.826 -15.693 433 HA2 GLY 59 1HA GLY 59 33.271 -1.009 -17.060 434 HA3 GLY 59 2HA GLY 59 32.139 -0.834 -18.413 435 H GLY 60 H GLY 60 32.765 1.345 -18.708 436 HA2 GLY 60 1HA GLY 60 32.268 3.597 -18.554 437 HA3 GLY 60 2HA GLY 60 31.263 3.259 -17.134 438 H GLN 61 H GLN 61 32.463 5.433 -16.752 439 HA GLN 61 HA GLN 61 35.158 5.580 -16.013 440 HB2 GLN 61 1HB GLN 61 33.238 7.393 -16.445 441 HB3 GLN 61 2HB GLN 61 33.053 7.294 -14.695 442 HG2 GLN 61 1HG GLN 61 35.783 7.622 -14.889 443 HG3 GLN 61 2HG GLN 61 35.272 8.433 -16.363 444 HE21 GLN 61 1HE2 GLN 61 33.714 10.341 -16.099 445 HE22 GLN 61 2HE2 GLN 61 33.694 11.144 -14.547 446 H ALA 62 H ALA 62 33.000 3.629 -14.368 447 HA ALA 62 HA ALA 62 34.104 4.203 -11.664 448 HB1 ALA 62 1HB ALA 62 31.764 2.465 -12.524 449 HB2 ALA 62 2HB ALA 62 32.275 2.800 -10.859 450 HB3 ALA 62 3HB ALA 62 31.647 4.116 -11.870 451 H THR 63 H THR 63 34.586 2.012 -14.339 452 HA THR 63 HA THR 63 35.018 -0.377 -13.126 453 HB THR 63 HB THR 63 34.966 0.029 -15.503 454 HG1 THR 63 1HG THR 63 36.581 -1.497 -16.019 455 HG21 THR 63 3HG2 THR 63 36.792 0.781 -16.826 456 HG22 THR 63 1HG2 THR 63 37.890 0.850 -15.443 457 HG23 THR 63 2HG2 THR 63 36.565 2.022 -15.593 458 H ASN 64 H ASN 64 37.708 2.002 -13.516 459 HA ASN 64 HA ASN 64 39.475 0.459 -11.863 460 HB2 ASN 64 1HB ASN 64 39.584 3.361 -12.798 461 HB3 ASN 64 2HB ASN 64 40.850 2.595 -11.836 462 HD21 ASN 64 1HD2 ASN 64 42.348 3.097 -13.687 463 HD22 ASN 64 2HD2 ASN 64 42.292 1.974 -15.038 464 H LYS 65 H LYS 65 36.792 2.341 -10.820 465 HA LYS 65 HA LYS 65 38.130 3.311 -8.376 466 HB2 LYS 65 1HB LYS 65 35.220 3.593 -9.205 467 HB3 LYS 65 2HB LYS 65 36.029 4.337 -7.820 468 HG2 LYS 65 1HG LYS 65 37.701 5.260 -9.717 469 HG3 LYS 65 2HG LYS 65 36.284 4.993 -10.751 470 HD2 LYS 65 1HD LYS 65 34.953 6.364 -9.007 471 HD3 LYS 65 2HD LYS 65 36.504 6.701 -8.241 472 HE2 LYS 65 1HE LYS 65 36.093 8.590 -9.590 473 HE3 LYS 65 2HE LYS 65 37.291 7.657 -10.479 474 HZ1 LYS 65 3HZ LYS 65 35.470 8.457 -11.906 475 HZ2 LYS 65 1HZ LYS 65 34.382 7.644 -11.012 476 HZ3 LYS 65 2HZ LYS 65 35.497 6.822 -11.896 477 H THR 66 H THR 66 38.636 0.832 -8.112 478 HA THR 66 HA THR 66 36.533 -0.807 -7.070 479 HB THR 66 HB THR 66 38.709 -1.637 -7.926 480 HG1 THR 66 1HG THR 66 38.743 -3.310 -6.515 481 HG21 THR 66 3HG2 THR 66 40.670 -1.779 -6.493 482 HG22 THR 66 1HG2 THR 66 39.858 -0.844 -5.219 483 HG23 THR 66 2HG2 THR 66 40.268 -0.074 -6.768 484 H SER 67 H SER 67 35.524 -0.809 -5.026 485 HA SER 67 HA SER 67 36.738 0.682 -2.848 486 HB2 SER 67 1HB SER 67 34.492 2.057 -2.746 487 HB3 SER 67 2HB SER 67 35.814 2.586 -3.792 488 HG SER 67 HG SER 67 34.770 1.753 -5.572 489 H ASN 68 H ASN 68 35.651 0.372 -0.907 490 HA ASN 68 HA ASN 68 34.620 -2.198 -0.368 491 HB2 ASN 68 1HB ASN 68 34.643 0.291 1.386 492 HB3 ASN 68 2HB ASN 68 34.521 -1.372 1.948 493 HD21 ASN 68 1HD2 ASN 68 36.469 -2.259 2.684 494 HD22 ASN 68 2HD2 ASN 68 38.031 -1.818 2.023 495 H CYS 69 H CYS 69 32.766 -0.236 -2.027 496 HA CYS 69 HA CYS 69 30.461 0.304 -0.432 497 HB2 CYS 69 1HB CYS 69 30.759 -0.095 -3.440 498 HB3 CYS 69 2HB CYS 69 29.413 0.730 -2.622 499 HG CYS 69 HG CYS 69 31.247 2.349 -3.908 500 H VAL 70 H VAL 70 28.365 -0.705 -0.705 501 HA VAL 70 HA VAL 70 28.444 -3.620 -1.347 502 HB VAL 70 HB VAL 70 27.155 -2.191 1.024 503 HG11 VAL 70 1HG1 VAL 70 25.588 -3.917 0.295 504 HG12 VAL 70 2HG1 VAL 70 26.903 -5.111 0.168 505 HG13 VAL 70 3HG1 VAL 70 26.415 -4.472 1.747 506 HG21 VAL 70 3HG2 VAL 70 28.584 -3.733 2.367 507 HG22 VAL 70 1HG2 VAL 70 29.302 -4.361 0.869 508 HG23 VAL 70 2HG2 VAL 70 29.565 -2.674 1.344 509 H VAL 71 H VAL 71 26.488 -4.439 -2.302 510 HA VAL 71 HA VAL 71 24.470 -2.446 -3.055 511 HB VAL 71 HB VAL 71 25.949 -2.386 -4.888 512 HG11 VAL 71 1HG1 VAL 71 25.714 -5.361 -5.223 513 HG12 VAL 71 2HG1 VAL 71 26.565 -4.249 -6.299 514 HG13 VAL 71 3HG1 VAL 71 27.173 -4.519 -4.656 515 HG21 VAL 71 3HG2 VAL 71 23.561 -4.128 -5.630 516 HG22 VAL 71 1HG2 VAL 71 23.483 -2.390 -5.285 517 HG23 VAL 71 2HG2 VAL 71 24.415 -2.981 -6.680 518 H LEU 72 H LEU 72 22.652 -3.122 -2.347 519 HA LEU 72 HA LEU 72 22.079 -6.015 -1.984 520 HB2 LEU 72 1HB LEU 72 22.611 -4.535 0.117 521 HB3 LEU 72 2HB LEU 72 21.147 -3.681 -0.315 522 HG LEU 72 HG LEU 72 19.928 -5.949 -0.101 523 HD11 LEU 72 1HD1 LEU 72 21.044 -7.618 1.323 524 HD12 LEU 72 2HD1 LEU 72 22.491 -6.595 1.466 525 HD13 LEU 72 3HD1 LEU 72 22.047 -7.318 -0.093 526 HD21 LEU 72 3HD2 LEU 72 19.633 -4.208 1.559 527 HD22 LEU 72 1HD2 LEU 72 21.156 -4.659 2.364 528 HD23 LEU 72 2HD2 LEU 72 19.768 -5.776 2.348 529 H LYS 73 H LYS 73 19.844 -6.493 -2.373 530 HA LYS 73 HA LYS 73 18.136 -4.410 -3.443 531 HB2 LYS 73 1HB LYS 73 17.769 -5.346 -5.603 532 HB3 LYS 73 2HB LYS 73 19.503 -5.223 -5.387 533 HG2 LYS 73 1HG LYS 73 19.407 -7.281 -6.304 534 HG3 LYS 73 2HG LYS 73 19.281 -7.762 -4.615 535 HD2 LYS 73 1HD LYS 73 17.201 -8.667 -4.947 536 HD3 LYS 73 2HD LYS 73 16.662 -7.256 -5.863 537 HE2 LYS 73 1HE LYS 73 16.533 -9.140 -7.318 538 HE3 LYS 73 2HE LYS 73 17.789 -8.042 -7.878 539 HZ1 LYS 73 3HZ LYS 73 18.155 -10.676 -6.576 540 HZ2 LYS 73 1HZ LYS 73 19.405 -9.608 -6.748 541 HZ3 LYS 73 2HZ LYS 73 18.624 -10.190 -8.058 542 H HIS 74 H HIS 74 15.991 -5.005 -3.650 543 HA HIS 74 HA HIS 74 15.187 -7.126 -1.722 544 HB2 HIS 74 1HB HIS 74 14.124 -4.674 -2.011 545 HB3 HIS 74 2HB HIS 74 13.139 -5.486 -3.213 546 HD1 HIS 74 1HD HIS 74 10.814 -6.159 -1.935 547 HD2 HIS 74 2HD HIS 74 14.372 -6.583 0.313 548 HE1 HIS 74 1HE HIS 74 10.143 -6.974 0.361 549 H VAL 75 H VAL 75 14.258 -9.127 -2.390 550 HA VAL 75 HA VAL 75 14.548 -9.718 -5.154 551 HB VAL 75 HB VAL 75 13.434 -11.304 -2.822 552 HG11 VAL 75 1HG1 VAL 75 13.695 -13.262 -4.364 553 HG12 VAL 75 2HG1 VAL 75 12.379 -12.172 -4.808 554 HG13 VAL 75 3HG1 VAL 75 13.915 -12.134 -5.715 555 HG21 VAL 75 3HG2 VAL 75 15.569 -12.501 -3.048 556 HG22 VAL 75 1HG2 VAL 75 16.068 -11.374 -4.328 557 HG23 VAL 75 2HG2 VAL 75 15.821 -10.801 -2.665 558 HA PRO 76 HA PRO 76 9.771 -9.903 -5.500 559 HB2 PRO 76 1HB PRO 76 8.110 -9.109 -3.534 560 HB3 PRO 76 2HB PRO 76 8.919 -10.684 -3.529 561 HG2 PRO 76 1HG PRO 76 9.957 -8.164 -2.184 562 HG3 PRO 76 2HG PRO 76 9.567 -9.753 -1.394 563 HD2 PRO 76 1HD PRO 76 12.036 -9.190 -2.174 564 HD3 PRO 76 2HD PRO 76 11.333 -10.784 -2.586 565 H SER 77 H SER 77 11.395 -7.111 -4.427 566 HA SER 77 HA SER 77 9.372 -5.344 -5.809 567 HB2 SER 77 1HB SER 77 11.265 -4.519 -3.590 568 HB3 SER 77 2HB SER 77 10.042 -3.527 -4.371 569 HG SER 77 HG SER 77 8.545 -4.406 -3.260 570 H GLY 78 H GLY 78 12.533 -6.600 -5.943 571 HA2 GLY 78 1HA GLY 78 14.347 -6.189 -7.244 572 HA3 GLY 78 2HA GLY 78 13.249 -5.406 -8.363 573 H ILE 79 H ILE 79 13.389 -3.948 -5.217 574 HA ILE 79 HA ILE 79 14.404 -1.452 -6.224 575 HB ILE 79 HB ILE 79 14.140 -2.452 -3.349 576 HG12 ILE 79 1HG1 ILE 79 12.146 -0.590 -4.696 577 HG13 ILE 79 2HG1 ILE 79 11.960 -2.333 -4.773 578 HG21 ILE 79 1HG2 ILE 79 14.128 -0.062 -2.706 579 HG22 ILE 79 2HG2 ILE 79 15.635 -0.492 -3.495 580 HG23 ILE 79 3HG2 ILE 79 14.391 0.402 -4.398 581 HD11 ILE 79 3HD1 ILE 79 10.659 -1.568 -2.917 582 HD12 ILE 79 1HD1 ILE 79 12.052 -2.445 -2.280 583 HD13 ILE 79 2HD1 ILE 79 12.015 -0.667 -2.234 584 H VAL 80 H VAL 80 16.575 -0.831 -6.362 585 HA VAL 80 HA VAL 80 18.623 -2.555 -5.015 586 HB VAL 80 HB VAL 80 18.942 -1.067 -7.658 587 HG11 VAL 80 1HG1 VAL 80 20.956 -2.524 -7.880 588 HG12 VAL 80 2HG1 VAL 80 21.057 -1.461 -6.484 589 HG13 VAL 80 3HG1 VAL 80 20.653 -3.177 -6.261 590 HG21 VAL 80 3HG2 VAL 80 18.864 -3.221 -8.820 591 HG22 VAL 80 1HG2 VAL 80 18.414 -4.036 -7.309 592 HG23 VAL 80 2HG2 VAL 80 17.333 -2.846 -8.069 593 H VAL 81 H VAL 81 20.226 -1.431 -3.925 594 HA VAL 81 HA VAL 81 20.426 1.471 -4.328 595 HB VAL 81 HB VAL 81 18.687 1.195 -2.599 596 HG11 VAL 81 1HG1 VAL 81 20.910 0.151 -0.832 597 HG12 VAL 81 2HG1 VAL 81 19.200 0.425 -0.387 598 HG13 VAL 81 3HG1 VAL 81 19.622 -0.859 -1.541 599 HG21 VAL 81 3HG2 VAL 81 19.650 2.778 -0.943 600 HG22 VAL 81 1HG2 VAL 81 21.253 2.521 -1.648 601 HG23 VAL 81 2HG2 VAL 81 19.977 3.266 -2.607 602 H LYS 82 H LYS 82 22.448 2.323 -3.834 603 HA LYS 82 HA LYS 82 24.600 0.345 -3.191 604 HB2 LYS 82 1HB LYS 82 24.530 2.568 -5.294 605 HB3 LYS 82 2HB LYS 82 26.010 1.852 -4.666 606 HG2 LYS 82 1HG LYS 82 25.718 0.585 -6.570 607 HG3 LYS 82 2HG LYS 82 25.019 -0.426 -5.325 608 HD2 LYS 82 1HD LYS 82 23.379 -0.659 -6.915 609 HD3 LYS 82 2HD LYS 82 22.736 0.746 -6.091 610 HE2 LYS 82 1HE LYS 82 22.559 1.305 -8.331 611 HE3 LYS 82 2HE LYS 82 24.021 2.165 -7.832 612 HZ1 LYS 82 3HZ LYS 82 25.310 0.356 -8.842 613 HZ2 LYS 82 1HZ LYS 82 24.254 0.953 -9.954 614 HZ3 LYS 82 2HZ LYS 82 23.934 -0.465 -9.223 615 H CYS 83 H CYS 83 25.247 0.849 -1.157 616 HA CYS 83 HA CYS 83 25.458 3.739 -0.444 617 HB2 CYS 83 1HB CYS 83 24.615 1.415 1.343 618 HB3 CYS 83 2HB CYS 83 24.864 3.094 1.868 619 HG CYS 83 HG CYS 83 23.140 4.125 0.097 620 H HIS 84 H HIS 84 27.016 4.266 1.125 621 HA HIS 84 HA HIS 84 29.177 2.433 1.798 622 HB2 HIS 84 1HB HIS 84 30.805 4.207 0.820 623 HB3 HIS 84 2HB HIS 84 30.056 3.048 -0.271 624 HD1 HIS 84 1HD HIS 84 29.159 6.737 0.840 625 HD2 HIS 84 2HD HIS 84 28.815 3.948 -2.292 626 HE1 HIS 84 1HE HIS 84 28.106 7.976 -1.080 627 H GLN 85 H GLN 85 30.300 3.260 3.624 628 HA GLN 85 HA GLN 85 29.886 6.020 4.489 629 HB2 GLN 85 1HB GLN 85 27.858 4.628 5.369 630 HB3 GLN 85 2HB GLN 85 29.045 3.840 6.423 631 HG2 GLN 85 1HG GLN 85 29.697 6.214 7.210 632 HG3 GLN 85 2HG GLN 85 28.309 6.798 6.300 633 HE21 GLN 85 1HE2 GLN 85 29.375 4.973 9.144 634 HE22 GLN 85 2HE2 GLN 85 27.803 4.904 9.910 635 H THR 86 H THR 86 31.244 2.744 5.020 636 HA THR 86 HA THR 86 33.698 3.997 6.097 637 HB THR 86 HB THR 86 33.792 2.219 7.807 638 HG1 THR 86 1HG THR 86 31.232 1.502 6.786 639 HG21 THR 86 3HG2 THR 86 31.099 3.611 8.094 640 HG22 THR 86 1HG2 THR 86 32.670 4.367 8.450 641 HG23 THR 86 2HG2 THR 86 32.135 2.953 9.373 642 H ARG 87 H ARG 87 35.297 1.884 6.301 643 HA ARG 87 HA ARG 87 35.266 0.682 3.565 644 HB2 ARG 87 1HB ARG 87 37.490 0.935 5.638 645 HB3 ARG 87 2HB ARG 87 37.619 0.005 4.141 646 HG2 ARG 87 1HG ARG 87 37.004 2.130 2.867 647 HG3 ARG 87 2HG ARG 87 37.237 3.017 4.381 648 HD2 ARG 87 1HD ARG 87 39.310 1.297 2.946 649 HD3 ARG 87 2HD ARG 87 39.234 3.064 2.915 650 HE ARG 87 HE ARG 87 39.335 2.260 5.611 651 HH11 ARG 87 1HH1 ARG 87 41.442 2.236 2.771 652 HH12 ARG 87 2HH1 ARG 87 42.924 2.309 3.649 653 HH21 ARG 87 1HH2 ARG 87 41.309 2.349 6.840 654 HH22 ARG 87 2HH2 ARG 87 42.829 2.376 6.044 655 H SER 88 H SER 88 34.177 -0.017 6.720 656 HA SER 88 HA SER 88 34.906 -2.765 6.916 657 HB2 SER 88 1HB SER 88 32.857 -0.991 8.265 658 HB3 SER 88 2HB SER 88 33.515 -2.466 8.945 659 HG SER 88 HG SER 88 34.335 -0.440 9.707 660 H VAL 89 H VAL 89 33.926 -4.244 5.571 661 HA VAL 89 HA VAL 89 31.584 -3.653 4.048 662 HB VAL 89 HB VAL 89 33.341 -5.154 3.304 663 HG11 VAL 89 1HG1 VAL 89 33.935 -6.304 5.423 664 HG12 VAL 89 2HG1 VAL 89 32.394 -7.188 5.362 665 HG13 VAL 89 3HG1 VAL 89 33.617 -7.432 4.105 666 HG21 VAL 89 3HG2 VAL 89 31.111 -5.357 2.315 667 HG22 VAL 89 1HG2 VAL 89 31.961 -6.912 2.337 668 HG23 VAL 89 2HG2 VAL 89 30.671 -6.589 3.518 669 H ASP 90 H ASP 90 32.077 -5.353 7.158 670 HA ASP 90 HA ASP 90 29.490 -6.420 7.482 671 HB2 ASP 90 1HB ASP 90 30.148 -6.776 9.739 672 HB3 ASP 90 2HB ASP 90 31.636 -6.923 8.805 673 H GLN 91 H GLN 91 30.810 -3.145 8.091 674 HA GLN 91 HA GLN 91 28.504 -2.213 9.572 675 HB2 GLN 91 1HB GLN 91 30.861 -0.864 8.206 676 HB3 GLN 91 2HB GLN 91 29.614 -0.014 9.038 677 HG2 GLN 91 1HG GLN 91 30.150 -1.361 11.134 678 HG3 GLN 91 2HG GLN 91 31.561 -1.989 10.283 679 HE21 GLN 91 1HE2 GLN 91 29.973 1.050 11.385 680 HE22 GLN 91 2HE2 GLN 91 31.488 1.902 11.639 681 H ASN 92 H ASN 92 29.889 -1.620 6.303 682 HA ASN 92 HA ASN 92 27.802 -0.052 5.282 683 HB2 ASN 92 1HB ASN 92 29.672 -1.951 3.836 684 HB3 ASN 92 2HB ASN 92 28.540 -0.872 3.018 685 HD21 ASN 92 1HD2 ASN 92 31.325 -0.657 2.456 686 HD22 ASN 92 2HD2 ASN 92 31.922 0.779 3.240 687 H ARG 93 H ARG 93 27.956 -3.633 5.544 688 HA ARG 93 HA ARG 93 25.668 -4.247 3.989 689 HB2 ARG 93 1HB ARG 93 27.002 -5.592 6.359 690 HB3 ARG 93 2HB ARG 93 25.446 -6.176 5.782 691 HG2 ARG 93 1HG ARG 93 26.339 -6.645 3.565 692 HG3 ARG 93 2HG ARG 93 27.902 -5.953 4.006 693 HD2 ARG 93 1HD ARG 93 28.117 -8.333 4.165 694 HD3 ARG 93 2HD ARG 93 28.110 -7.693 5.816 695 HE ARG 93 HE ARG 93 25.518 -8.616 4.718 696 HH11 ARG 93 1HH1 ARG 93 28.421 -9.721 6.540 697 HH12 ARG 93 2HH1 ARG 93 27.597 -11.070 7.190 698 HH21 ARG 93 1HH2 ARG 93 24.429 -10.398 5.791 699 HH22 ARG 93 2HH2 ARG 93 25.335 -11.448 6.768 700 H LYS 94 H LYS 94 25.731 -3.742 7.632 701 HA LYS 94 HA LYS 94 22.879 -3.855 7.647 702 HB2 LYS 94 1HB LYS 94 22.843 -3.321 9.888 703 HB3 LYS 94 2HB LYS 94 24.230 -4.353 9.618 704 HG2 LYS 94 1HG LYS 94 25.129 -1.598 9.450 705 HG3 LYS 94 2HG LYS 94 24.058 -1.751 10.846 706 HD2 LYS 94 1HD LYS 94 25.433 -3.694 11.644 707 HD3 LYS 94 2HD LYS 94 26.486 -3.473 10.243 708 HE2 LYS 94 1HE LYS 94 27.516 -2.429 12.156 709 HE3 LYS 94 2HE LYS 94 27.026 -1.170 10.999 710 HZ1 LYS 94 3HZ LYS 94 25.199 -0.601 12.399 711 HZ2 LYS 94 1HZ LYS 94 26.455 -0.732 13.416 712 HZ3 LYS 94 2HZ LYS 94 25.387 -1.958 13.322 713 H ILE 95 H ILE 95 25.012 -1.097 7.173 714 HA ILE 95 HA ILE 95 23.085 0.961 7.536 715 HB ILE 95 HB ILE 95 25.607 0.766 5.832 716 HG12 ILE 95 1HG1 ILE 95 25.081 2.159 8.494 717 HG13 ILE 95 2HG1 ILE 95 25.752 0.561 8.385 718 HG21 ILE 95 1HG2 ILE 95 23.931 3.232 6.467 719 HG22 ILE 95 2HG2 ILE 95 25.545 3.266 5.727 720 HG23 ILE 95 3HG2 ILE 95 24.204 2.533 4.862 721 HD11 ILE 95 3HD1 ILE 95 27.689 1.456 7.071 722 HD12 ILE 95 1HD1 ILE 95 27.048 3.089 7.372 723 HD13 ILE 95 2HD1 ILE 95 27.562 2.080 8.728 724 H ALA 96 H ALA 96 24.122 -0.836 4.597 725 HA ALA 96 HA ALA 96 22.269 0.320 2.815 726 HB1 ALA 96 1HB ALA 96 23.507 -2.487 2.831 727 HB2 ALA 96 2HB ALA 96 22.774 -1.689 1.436 728 HB3 ALA 96 3HB ALA 96 24.249 -1.024 2.146 729 H ARG 97 H ARG 97 22.050 -2.700 4.800 730 HA ARG 97 HA ARG 97 19.531 -3.552 4.064 731 HB2 ARG 97 1HB ARG 97 21.465 -4.384 5.784 732 HB3 ARG 97 2HB ARG 97 20.303 -3.819 6.969 733 HG2 ARG 97 1HG ARG 97 19.592 -5.702 4.675 734 HG3 ARG 97 2HG ARG 97 20.338 -6.271 6.139 735 HD2 ARG 97 1HD ARG 97 17.742 -4.700 6.119 736 HD3 ARG 97 2HD ARG 97 17.800 -6.463 6.010 737 HE ARG 97 HE ARG 97 17.828 -4.962 8.369 738 HH11 ARG 97 1HH1 ARG 97 19.868 -7.711 7.127 739 HH12 ARG 97 2HH1 ARG 97 19.687 -8.546 8.619 740 HH21 ARG 97 1HH2 ARG 97 17.954 -6.046 10.365 741 HH22 ARG 97 2HH2 ARG 97 18.977 -7.439 10.498 742 H LYS 98 H LYS 98 20.278 -1.155 6.683 743 HA LYS 98 HA LYS 98 17.504 -0.921 7.315 744 HB2 LYS 98 1HB LYS 98 17.941 0.666 8.830 745 HB3 LYS 98 2HB LYS 98 19.397 -0.306 8.830 746 HG2 LYS 98 1HG LYS 98 19.975 1.947 9.210 747 HG3 LYS 98 2HG LYS 98 20.574 1.556 7.613 748 HD2 LYS 98 1HD LYS 98 19.183 3.091 6.597 749 HD3 LYS 98 2HD LYS 98 17.827 2.732 7.689 750 HE2 LYS 98 1HE LYS 98 19.064 4.096 9.439 751 HE3 LYS 98 2HE LYS 98 20.186 4.575 8.144 752 HZ1 LYS 98 3HZ LYS 98 18.464 6.205 8.211 753 HZ2 LYS 98 1HZ LYS 98 17.282 5.058 8.327 754 HZ3 LYS 98 2HZ LYS 98 18.050 5.248 6.923 755 H VAL 99 H VAL 99 19.524 1.129 5.069 756 HA VAL 99 HA VAL 99 17.313 2.852 4.613 757 HB VAL 99 HB VAL 99 19.647 3.423 4.122 758 HG11 VAL 99 1HG1 VAL 99 20.576 1.606 3.009 759 HG12 VAL 99 2HG1 VAL 99 19.347 1.621 1.710 760 HG13 VAL 99 3HG1 VAL 99 20.537 2.930 1.858 761 HG21 VAL 99 3HG2 VAL 99 19.169 4.853 2.219 762 HG22 VAL 99 1HG2 VAL 99 17.796 3.831 1.738 763 HG23 VAL 99 2HG2 VAL 99 17.736 4.760 3.250 764 H LEU 100 H LEU 100 18.048 -0.302 3.291 765 HA LEU 100 HA LEU 100 16.263 -0.273 1.064 766 HB2 LEU 100 1HB LEU 100 18.078 -2.050 1.951 767 HB3 LEU 100 2HB LEU 100 16.708 -2.693 2.798 768 HG LEU 100 HG LEU 100 16.924 -3.993 0.888 769 HD11 LEU 100 1HD1 LEU 100 14.803 -2.020 0.028 770 HD12 LEU 100 2HD1 LEU 100 14.597 -3.221 1.348 771 HD13 LEU 100 3HD1 LEU 100 14.899 -3.764 -0.292 772 HD21 LEU 100 3HD2 LEU 100 18.388 -2.706 -0.517 773 HD22 LEU 100 1HD2 LEU 100 17.144 -1.459 -0.787 774 HD23 LEU 100 2HD2 LEU 100 16.951 -3.095 -1.454 775 H GLN 101 H GLN 101 15.836 -1.121 4.529 776 HA GLN 101 HA GLN 101 13.164 -1.963 4.469 777 HB2 GLN 101 1HB GLN 101 14.924 -2.050 6.365 778 HB3 GLN 101 2HB GLN 101 14.405 -0.420 6.793 779 HG2 GLN 101 1HG GLN 101 12.269 -1.120 7.429 780 HG3 GLN 101 2HG GLN 101 12.322 -2.581 6.493 781 HE21 GLN 101 1HE2 GLN 101 11.343 -3.267 8.690 782 HE22 GLN 101 2HE2 GLN 101 12.459 -3.681 9.980 783 H GLU 102 H GLU 102 14.468 1.332 4.674 784 HA GLU 102 HA GLU 102 11.969 2.672 5.075 785 HB2 GLU 102 1HB GLU 102 14.430 3.801 3.672 786 HB3 GLU 102 2HB GLU 102 13.173 4.683 4.537 787 HG2 GLU 102 1HG GLU 102 13.892 3.450 6.628 788 HG3 GLU 102 2HG GLU 102 15.253 2.819 5.718 789 H LYS 103 H LYS 103 13.566 1.403 2.230 790 HA LYS 103 HA LYS 103 11.839 2.888 0.322 791 HB2 LYS 103 1HB LYS 103 13.740 0.541 -0.197 792 HB3 LYS 103 2HB LYS 103 12.861 1.491 -1.428 793 HG2 LYS 103 1HG LYS 103 13.983 3.541 -0.640 794 HG3 LYS 103 2HG LYS 103 14.904 2.578 0.526 795 HD2 LYS 103 1HD LYS 103 15.859 1.273 -1.400 796 HD3 LYS 103 2HD LYS 103 15.097 2.434 -2.493 797 HE2 LYS 103 1HE LYS 103 17.168 2.977 -0.325 798 HE3 LYS 103 2HE LYS 103 17.425 3.080 -2.077 799 HZ1 LYS 103 3HZ LYS 103 17.143 5.242 -1.146 800 HZ2 LYS 103 1HZ LYS 103 15.705 4.868 -0.456 801 HZ3 LYS 103 2HZ LYS 103 15.837 4.918 -2.111 802 H VAL 104 H VAL 104 12.127 -0.487 1.518 803 HA VAL 104 HA VAL 104 9.912 -1.442 -0.029 804 HB VAL 104 HB VAL 104 11.313 -2.497 2.434 805 HG11 VAL 104 1HG1 VAL 104 8.964 -3.421 2.385 806 HG12 VAL 104 2HG1 VAL 104 9.232 -3.948 0.721 807 HG13 VAL 104 3HG1 VAL 104 10.178 -4.662 2.047 808 HG21 VAL 104 3HG2 VAL 104 12.523 -2.419 0.224 809 HG22 VAL 104 1HG2 VAL 104 12.335 -4.036 0.916 810 HG23 VAL 104 2HG2 VAL 104 11.293 -3.518 -0.422 811 H ASP 105 H ASP 105 10.124 0.339 3.045 812 HA ASP 105 HA ASP 105 7.492 -0.068 4.049 813 HB2 ASP 105 1HB ASP 105 9.078 1.033 5.441 814 HB3 ASP 105 2HB ASP 105 9.566 2.139 4.183 815 H VAL 106 H VAL 106 8.731 2.720 2.142 816 HA VAL 106 HA VAL 106 6.234 3.699 1.359 817 HB VAL 106 HB VAL 106 8.891 3.954 -0.109 818 HG11 VAL 106 1HG1 VAL 106 6.440 5.780 -0.114 819 HG12 VAL 106 2HG1 VAL 106 8.005 6.148 -0.873 820 HG13 VAL 106 3HG1 VAL 106 7.020 4.814 -1.480 821 HG21 VAL 106 3HG2 VAL 106 9.226 6.018 1.179 822 HG22 VAL 106 1HG2 VAL 106 7.695 5.756 2.037 823 HG23 VAL 106 2HG2 VAL 106 9.056 4.660 2.299 824 H PHE 107 H PHE 107 8.086 1.021 -0.061 825 HA PHE 107 HA PHE 107 6.668 0.928 -2.572 826 HB2 PHE 107 1HB PHE 107 8.872 -0.216 -1.965 827 HB3 PHE 107 2HB PHE 107 7.924 -1.421 -1.104 828 HD1 PHE 107 1HD PHE 107 6.395 -2.988 -2.368 829 HD2 PHE 107 2HD PHE 107 9.006 -0.195 -4.377 830 HE1 PHE 107 1HE PHE 107 6.194 -4.297 -4.458 831 HE2 PHE 107 2HE PHE 107 8.827 -1.528 -6.445 832 HZ PHE 107 HZ PHE 107 7.423 -3.585 -6.508 833 H TYR 108 H TYR 108 5.922 -0.407 0.650 834 HA TYR 108 HA TYR 108 3.611 -1.930 -0.414 835 HB2 TYR 108 1HB TYR 108 4.948 -1.677 2.292 836 HB3 TYR 108 2HB TYR 108 3.329 -2.342 2.128 837 HD1 TYR 108 1HD TYR 108 6.588 -2.811 0.242 838 HD2 TYR 108 2HD TYR 108 3.258 -4.668 2.256 839 HE1 TYR 108 1HE TYR 108 7.446 -5.005 -0.398 840 HE2 TYR 108 2HE TYR 108 4.112 -6.892 1.596 841 HH TYR 108 HH TYR 108 6.771 -7.247 -0.698 842 H ASN 109 H ASN 109 4.386 1.084 1.287 843 HA ASN 109 HA ASN 109 1.592 1.686 1.921 844 HB2 ASN 109 1HB ASN 109 3.989 3.559 1.815 845 HB3 ASN 109 2HB ASN 109 2.437 3.874 2.590 846 HD21 ASN 109 1HD2 ASN 109 5.180 3.875 3.836 847 HD22 ASN 109 2HD2 ASN 109 5.176 2.580 4.997 848 H SER 110 H SER 110 3.595 1.973 -0.914 849 HA SER 110 HA SER 110 1.509 3.364 -2.385 850 HB2 SER 110 1HB SER 110 4.190 4.570 -1.635 851 HB3 SER 110 2HB SER 110 3.491 4.918 -3.211 852 HG SER 110 HG SER 110 1.933 5.102 -0.859 853 H GLY 111 H GLY 111 1.258 1.705 -3.764 854 HA2 GLY 111 1HA GLY 111 3.281 1.214 -5.755 855 HA3 GLY 111 2HA GLY 111 2.914 -0.184 -4.729 856 HA PRO 112 HA PRO 112 -0.346 0.203 -8.076 857 HB2 PRO 112 1HB PRO 112 0.002 -2.052 -9.438 858 HB3 PRO 112 2HB PRO 112 1.146 -0.701 -9.595 859 HG2 PRO 112 1HG PRO 112 1.423 -3.137 -7.783 860 HG3 PRO 112 2HG PRO 112 2.608 -2.519 -8.981 861 HD2 PRO 112 1HD PRO 112 2.717 -1.829 -6.332 862 HD3 PRO 112 2HD PRO 112 3.160 -0.669 -7.612 863 H SER 113 H SER 113 -0.248 -1.189 -5.139 864 HA SER 113 HA SER 113 -2.190 -3.332 -5.523 865 HB2 SER 113 1HB SER 113 -0.410 -3.316 -3.692 866 HB3 SER 113 2HB SER 113 -1.344 -2.019 -2.914 867 HG SER 113 HG SER 113 -2.111 -3.939 -2.080 868 H SER 114 H SER 114 -4.300 -2.897 -5.833 869 HA SER 114 HA SER 114 -5.466 -0.286 -5.181 870 HB2 SER 114 1HB SER 114 -6.491 -2.795 -6.562 871 HB3 SER 114 2HB SER 114 -7.513 -1.395 -6.215 872 HG SER 114 HG SER 114 -6.504 -1.430 -8.361 873 H GLY 115 H GLY 115 -5.174 -0.386 -2.870 874 HA2 GLY 115 1HA GLY 115 -7.362 -1.542 -1.413 875 HA3 GLY 115 2HA GLY 115 -5.847 -2.412 -1.089 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -57.671 -46.291 -61.150 2 HA2 GLY 1 1HA GLY 1 -58.877 -46.996 -59.104 3 HA3 GLY 1 2HA GLY 1 -57.309 -46.903 -58.259 4 H SER 2 H SER 2 -58.860 -45.276 -56.912 5 HA SER 2 HA SER 2 -58.092 -42.619 -57.622 6 HB2 SER 2 1HB SER 2 -60.301 -43.073 -58.908 7 HB3 SER 2 2HB SER 2 -61.067 -43.221 -57.311 8 HG SER 2 HG SER 2 -61.171 -41.074 -58.117 9 H SER 3 H SER 3 -58.883 -41.206 -55.653 10 HA SER 3 HA SER 3 -59.676 -42.532 -53.240 11 HB2 SER 3 1HB SER 3 -57.466 -41.795 -52.084 12 HB3 SER 3 2HB SER 3 -57.459 -43.299 -53.010 13 HG SER 3 HG SER 3 -55.650 -41.849 -53.399 14 H GLY 4 H GLY 4 -59.686 -40.812 -51.420 15 HA2 GLY 4 1HA GLY 4 -59.221 -38.118 -51.730 16 HA3 GLY 4 2HA GLY 4 -60.859 -38.407 -52.367 17 H SER 5 H SER 5 -59.619 -37.264 -49.670 18 HA SER 5 HA SER 5 -61.633 -38.466 -47.915 19 HB2 SER 5 1HB SER 5 -58.707 -38.167 -47.094 20 HB3 SER 5 2HB SER 5 -60.031 -38.841 -46.130 21 HG SER 5 HG SER 5 -58.843 -40.528 -46.986 22 H SER 6 H SER 6 -61.885 -36.985 -45.917 23 HA SER 6 HA SER 6 -60.642 -34.385 -46.011 24 HB2 SER 6 1HB SER 6 -62.880 -33.223 -46.195 25 HB3 SER 6 2HB SER 6 -62.323 -33.997 -47.683 26 HG SER 6 HG SER 6 -64.335 -34.711 -47.559 27 H GLY 7 H GLY 7 -61.770 -33.041 -44.079 28 HA2 GLY 7 1HA GLY 7 -63.216 -34.248 -42.064 29 HA3 GLY 7 2HA GLY 7 -61.511 -34.629 -41.735 30 H LYS 8 H LYS 8 -62.613 -33.089 -39.843 31 HA LYS 8 HA LYS 8 -61.220 -30.548 -40.080 32 HB2 LYS 8 1HB LYS 8 -63.387 -29.966 -41.096 33 HB3 LYS 8 2HB LYS 8 -64.252 -30.687 -39.730 34 HG2 LYS 8 1HG LYS 8 -63.326 -28.959 -38.210 35 HG3 LYS 8 2HG LYS 8 -62.343 -28.310 -39.532 36 HD2 LYS 8 1HD LYS 8 -64.279 -26.900 -39.215 37 HD3 LYS 8 2HD LYS 8 -64.407 -27.723 -40.780 38 HE2 LYS 8 1HE LYS 8 -65.933 -29.416 -39.728 39 HE3 LYS 8 2HE LYS 8 -65.814 -28.552 -38.193 40 HZ1 LYS 8 3HZ LYS 8 -67.808 -27.962 -39.406 41 HZ2 LYS 8 1HZ LYS 8 -66.940 -27.459 -40.704 42 HZ3 LYS 8 2HZ LYS 8 -66.841 -26.639 -39.279 43 H TRP 9 H TRP 9 -60.093 -30.722 -38.174 44 HA TRP 9 HA TRP 9 -60.705 -32.459 -36.063 45 HB2 TRP 9 1HB TRP 9 -58.846 -30.093 -36.417 46 HB3 TRP 9 2HB TRP 9 -59.077 -30.787 -34.819 47 HD1 TRP 9 HD TRP 9 -56.965 -31.308 -37.796 48 HE1 TRP 9 1HE TRP 9 -55.674 -33.513 -37.584 49 HE3 TRP 9 3HE TRP 9 -59.540 -33.369 -33.891 50 HZ2 TRP 9 2HZ TRP 9 -55.738 -35.886 -35.913 51 HZ3 TRP 9 3HZ TRP 9 -58.893 -35.602 -32.996 52 HH2 TRP 9 HH TRP 9 -57.000 -36.856 -34.001 53 H GLY 10 H GLY 10 -60.803 -28.828 -35.686 54 HA2 GLY 10 1HA GLY 10 -63.354 -28.490 -34.798 55 HA3 GLY 10 2HA GLY 10 -62.482 -29.134 -33.380 56 H LEU 11 H LEU 11 -63.228 -26.740 -32.743 57 HA LEU 11 HA LEU 11 -60.879 -25.006 -32.963 58 HB2 LEU 11 1HB LEU 11 -63.732 -24.088 -33.610 59 HB3 LEU 11 2HB LEU 11 -62.410 -23.031 -33.157 60 HG LEU 11 HG LEU 11 -61.165 -24.201 -35.223 61 HD11 LEU 11 1HD1 LEU 11 -62.714 -24.545 -37.108 62 HD12 LEU 11 2HD1 LEU 11 -64.113 -24.276 -36.042 63 HD13 LEU 11 3HD1 LEU 11 -63.079 -25.702 -35.826 64 HD21 LEU 11 3HD2 LEU 11 -61.540 -21.792 -34.960 65 HD22 LEU 11 1HD2 LEU 11 -63.230 -21.971 -35.480 66 HD23 LEU 11 2HD2 LEU 11 -61.896 -22.297 -36.611 67 H ARG 12 H ARG 12 -60.736 -23.684 -31.009 68 HA ARG 12 HA ARG 12 -62.858 -23.832 -29.038 69 HB2 ARG 12 1HB ARG 12 -61.756 -25.996 -28.627 70 HB3 ARG 12 2HB ARG 12 -60.160 -25.242 -28.673 71 HG2 ARG 12 1HG ARG 12 -60.795 -25.807 -26.394 72 HG3 ARG 12 2HG ARG 12 -60.594 -24.068 -26.574 73 HD2 ARG 12 1HD ARG 12 -63.133 -23.896 -26.806 74 HD3 ARG 12 2HD ARG 12 -63.227 -25.612 -26.446 75 HE ARG 12 HE ARG 12 -62.198 -23.419 -24.694 76 HH11 ARG 12 1HH1 ARG 12 -63.488 -26.729 -24.928 77 HH12 ARG 12 2HH1 ARG 12 -63.710 -26.944 -23.236 78 HH21 ARG 12 1HH2 ARG 12 -62.528 -23.679 -22.420 79 HH22 ARG 12 2HH2 ARG 12 -63.138 -25.148 -21.760 80 H LEU 13 H LEU 13 -62.530 -22.180 -27.461 81 HA LEU 13 HA LEU 13 -60.357 -20.242 -28.018 82 HB2 LEU 13 1HB LEU 13 -63.218 -19.912 -27.015 83 HB3 LEU 13 2HB LEU 13 -61.992 -18.722 -26.685 84 HG LEU 13 HG LEU 13 -63.341 -18.027 -28.536 85 HD11 LEU 13 1HD1 LEU 13 -61.626 -17.410 -30.118 86 HD12 LEU 13 2HD1 LEU 13 -60.563 -18.721 -29.587 87 HD13 LEU 13 3HD1 LEU 13 -60.936 -17.369 -28.492 88 HD21 LEU 13 3HD2 LEU 13 -63.451 -19.114 -30.672 89 HD22 LEU 13 1HD2 LEU 13 -63.962 -20.275 -29.438 90 HD23 LEU 13 2HD2 LEU 13 -62.335 -20.389 -30.169 91 H GLN 14 H GLN 14 -59.267 -19.413 -26.240 92 HA GLN 14 HA GLN 14 -59.644 -20.180 -23.533 93 HB2 GLN 14 1HB GLN 14 -57.619 -21.541 -23.333 94 HB3 GLN 14 2HB GLN 14 -58.712 -22.314 -24.466 95 HG2 GLN 14 1HG GLN 14 -56.208 -20.736 -25.187 96 HG3 GLN 14 2HG GLN 14 -56.382 -22.470 -25.220 97 HE21 GLN 14 1HE2 GLN 14 -58.199 -23.340 -26.809 98 HE22 GLN 14 2HE2 GLN 14 -58.395 -22.378 -28.281 99 H GLU 15 H GLU 15 -57.067 -19.518 -22.621 100 HA GLU 15 HA GLU 15 -56.262 -17.079 -24.021 101 HB2 GLU 15 1HB GLU 15 -57.917 -16.390 -22.385 102 HB3 GLU 15 2HB GLU 15 -57.032 -17.226 -21.085 103 HG2 GLU 15 1HG GLU 15 -56.832 -14.645 -21.290 104 HG3 GLU 15 2HG GLU 15 -55.370 -15.600 -20.979 105 H LYS 16 H LYS 16 -54.044 -16.382 -22.868 106 HA LYS 16 HA LYS 16 -52.304 -18.705 -23.084 107 HB2 LYS 16 1HB LYS 16 -51.980 -15.690 -22.798 108 HB3 LYS 16 2HB LYS 16 -50.618 -16.735 -22.614 109 HG2 LYS 16 1HG LYS 16 -50.941 -15.617 -24.867 110 HG3 LYS 16 2HG LYS 16 -50.468 -17.277 -24.805 111 HD2 LYS 16 1HD LYS 16 -51.925 -16.900 -26.649 112 HD3 LYS 16 2HD LYS 16 -52.616 -18.064 -25.531 113 HE2 LYS 16 1HE LYS 16 -54.194 -16.413 -26.680 114 HE3 LYS 16 2HE LYS 16 -54.399 -16.672 -24.972 115 HZ1 LYS 16 3HZ LYS 16 -53.338 -14.624 -24.485 116 HZ2 LYS 16 1HZ LYS 16 -54.618 -14.453 -25.333 117 HZ3 LYS 16 2HZ LYS 16 -53.169 -14.262 -26.134 118 HA PRO 17 HA PRO 17 -52.002 -19.191 -18.684 119 HB2 PRO 17 1HB PRO 17 -49.495 -20.260 -18.331 120 HB3 PRO 17 2HB PRO 17 -50.835 -21.169 -19.119 121 HG2 PRO 17 1HG PRO 17 -48.579 -19.622 -20.458 122 HG3 PRO 17 2HG PRO 17 -49.172 -21.277 -20.832 123 HD2 PRO 17 1HD PRO 17 -49.978 -19.063 -22.240 124 HD3 PRO 17 2HD PRO 17 -51.083 -20.446 -21.934 125 H ALA 18 H ALA 18 -51.399 -17.863 -16.969 126 HA ALA 18 HA ALA 18 -49.989 -15.411 -17.588 127 HB1 ALA 18 1HB ALA 18 -50.972 -16.531 -14.912 128 HB2 ALA 18 2HB ALA 18 -50.433 -14.865 -15.212 129 HB3 ALA 18 3HB ALA 18 -51.903 -15.465 -16.005 130 H LEU 19 H LEU 19 -48.063 -14.661 -16.431 131 HA LEU 19 HA LEU 19 -46.278 -16.665 -15.231 132 HB2 LEU 19 1HB LEU 19 -45.638 -14.916 -17.650 133 HB3 LEU 19 2HB LEU 19 -44.406 -15.705 -16.677 134 HG LEU 19 HG LEU 19 -46.553 -17.192 -18.250 135 HD11 LEU 19 1HD1 LEU 19 -43.597 -16.757 -18.847 136 HD12 LEU 19 2HD1 LEU 19 -44.964 -16.016 -19.712 137 HD13 LEU 19 3HD1 LEU 19 -44.725 -17.767 -19.783 138 HD21 LEU 19 3HD2 LEU 19 -44.074 -18.197 -16.763 139 HD22 LEU 19 1HD2 LEU 19 -45.109 -19.179 -17.827 140 HD23 LEU 19 2HD2 LEU 19 -45.769 -18.527 -16.332 141 H LEU 20 H LEU 20 -44.257 -15.373 -14.359 142 HA LEU 20 HA LEU 20 -44.883 -12.629 -13.612 143 HB2 LEU 20 1HB LEU 20 -44.222 -13.219 -11.262 144 HB3 LEU 20 2HB LEU 20 -45.817 -13.729 -11.779 145 HG LEU 20 HG LEU 20 -44.984 -16.071 -12.023 146 HD11 LEU 20 1HD1 LEU 20 -42.848 -16.697 -10.875 147 HD12 LEU 20 2HD1 LEU 20 -42.411 -14.978 -10.802 148 HD13 LEU 20 3HD1 LEU 20 -42.583 -15.807 -12.365 149 HD21 LEU 20 3HD2 LEU 20 -46.097 -15.277 -9.975 150 HD22 LEU 20 1HD2 LEU 20 -44.525 -14.805 -9.292 151 HD23 LEU 20 2HD2 LEU 20 -44.888 -16.515 -9.614 152 H PHE 21 H PHE 21 -42.894 -11.712 -12.444 153 HA PHE 21 HA PHE 21 -40.537 -12.382 -14.068 154 HB2 PHE 21 1HB PHE 21 -41.321 -10.059 -12.275 155 HB3 PHE 21 2HB PHE 21 -39.684 -10.254 -12.845 156 HD1 PHE 21 2HD PHE 21 -43.203 -9.701 -14.004 157 HD2 PHE 21 1HD PHE 21 -39.022 -9.700 -15.083 158 HE1 PHE 21 2HE PHE 21 -43.752 -8.606 -16.155 159 HE2 PHE 21 1HE PHE 21 -39.581 -8.597 -17.226 160 HZ PHE 21 HZ PHE 21 -41.945 -8.049 -17.772 161 HA PRO 22 HA PRO 22 -38.622 -14.423 -10.634 162 HB2 PRO 22 1HB PRO 22 -35.952 -14.154 -11.142 163 HB3 PRO 22 2HB PRO 22 -37.030 -15.094 -12.222 164 HG2 PRO 22 1HG PRO 22 -36.119 -12.213 -12.543 165 HG3 PRO 22 2HG PRO 22 -36.083 -13.524 -13.767 166 HD2 PRO 22 1HD PRO 22 -38.114 -11.683 -13.619 167 HD3 PRO 22 2HD PRO 22 -38.420 -13.372 -14.113 168 H GLY 23 H GLY 23 -37.215 -14.093 -8.747 169 HA2 GLY 23 1HA GLY 23 -37.323 -11.309 -7.733 170 HA3 GLY 23 2HA GLY 23 -37.187 -12.795 -6.771 171 H MET 24 H MET 24 -35.404 -11.166 -5.898 172 HA MET 24 HA MET 24 -32.825 -11.757 -7.265 173 HB2 MET 24 1HB MET 24 -33.439 -9.356 -7.407 174 HB3 MET 24 2HB MET 24 -33.642 -9.303 -5.648 175 HG2 MET 24 1HG MET 24 -31.238 -9.931 -5.385 176 HG3 MET 24 2HG MET 24 -31.041 -9.880 -7.134 177 HE1 MET 24 3HE MET 24 -31.063 -6.143 -7.988 178 HE2 MET 24 1HE MET 24 -30.584 -7.782 -8.478 179 HE3 MET 24 2HE MET 24 -32.308 -7.378 -8.284 180 H ALA 25 H ALA 25 -31.162 -12.434 -5.878 181 HA ALA 25 HA ALA 25 -31.570 -12.665 -2.994 182 HB1 ALA 25 1HB ALA 25 -31.074 -15.104 -3.046 183 HB2 ALA 25 2HB ALA 25 -32.632 -14.735 -3.806 184 HB3 ALA 25 3HB ALA 25 -31.212 -15.101 -4.816 185 H ALA 26 H ALA 26 -29.932 -10.909 -3.536 186 HA ALA 26 HA ALA 26 -27.430 -11.705 -4.779 187 HB1 ALA 26 1HB ALA 26 -28.334 -9.367 -4.751 188 HB2 ALA 26 2HB ALA 26 -27.983 -9.303 -3.000 189 HB3 ALA 26 3HB ALA 26 -26.655 -9.539 -4.163 190 H SER 27 H SER 27 -25.305 -11.294 -3.404 191 HA SER 27 HA SER 27 -25.555 -12.103 -0.600 192 HB2 SER 27 1HB SER 27 -25.680 -14.124 -2.290 193 HB3 SER 27 2HB SER 27 -23.976 -13.764 -2.562 194 HG SER 27 HG SER 27 -24.477 -15.386 -0.969 195 H THR 28 H THR 28 -23.213 -12.514 0.199 196 HA THR 28 HA THR 28 -21.182 -10.706 -0.952 197 HB THR 28 HB THR 28 -22.358 -10.717 1.858 198 HG1 THR 28 1HG THR 28 -23.134 -8.753 1.336 199 HG21 THR 28 3HG2 THR 28 -19.961 -9.184 0.815 200 HG22 THR 28 1HG2 THR 28 -20.058 -10.238 2.240 201 HG23 THR 28 2HG2 THR 28 -20.895 -8.694 2.249 202 H VAL 29 H VAL 29 -19.045 -11.175 0.491 203 HA VAL 29 HA VAL 29 -18.814 -13.925 1.434 204 HB VAL 29 HB VAL 29 -16.820 -14.240 -0.009 205 HG11 VAL 29 1HG1 VAL 29 -19.018 -15.176 -0.667 206 HG12 VAL 29 2HG1 VAL 29 -19.272 -13.773 -1.737 207 HG13 VAL 29 3HG1 VAL 29 -17.932 -14.890 -2.036 208 HG21 VAL 29 3HG2 VAL 29 -17.751 -11.794 -1.560 209 HG22 VAL 29 1HG2 VAL 29 -16.276 -11.901 -0.555 210 HG23 VAL 29 2HG2 VAL 29 -16.430 -12.894 -2.009 211 H GLN 30 H GLN 30 -16.252 -14.088 2.044 212 HA GLN 30 HA GLN 30 -15.795 -12.006 4.017 213 HB2 GLN 30 1HB GLN 30 -13.802 -13.304 4.568 214 HB3 GLN 30 2HB GLN 30 -15.217 -14.354 4.428 215 HG2 GLN 30 1HG GLN 30 -14.433 -14.945 2.072 216 HG3 GLN 30 2HG GLN 30 -12.967 -14.017 2.397 217 HE21 GLN 30 1HE2 GLN 30 -11.726 -15.970 2.024 218 HE22 GLN 30 2HE2 GLN 30 -11.649 -17.215 3.243 219 H VAL 31 H VAL 31 -14.220 -10.299 3.853 220 HA VAL 31 HA VAL 31 -13.215 -9.821 1.104 221 HB VAL 31 HB VAL 31 -13.185 -7.489 1.725 222 HG11 VAL 31 1HG1 VAL 31 -15.898 -8.695 2.427 223 HG12 VAL 31 2HG1 VAL 31 -15.573 -7.056 1.828 224 HG13 VAL 31 3HG1 VAL 31 -15.270 -8.450 0.782 225 HG21 VAL 31 3HG2 VAL 31 -12.679 -7.748 4.141 226 HG22 VAL 31 1HG2 VAL 31 -14.036 -6.651 3.856 227 HG23 VAL 31 2HG2 VAL 31 -14.346 -8.302 4.410 228 H ALA 32 H ALA 32 -11.237 -8.242 1.243 229 HA ALA 32 HA ALA 32 -9.138 -9.775 2.517 230 HB1 ALA 32 1HB ALA 32 -9.085 -7.202 0.869 231 HB2 ALA 32 2HB ALA 32 -7.668 -8.186 1.269 232 HB3 ALA 32 3HB ALA 32 -8.917 -8.834 0.190 233 H GLY 33 H GLY 33 -7.253 -8.358 3.497 234 HA2 GLY 33 1HA GLY 33 -8.026 -6.067 5.077 235 HA3 GLY 33 2HA GLY 33 -7.713 -7.559 6.002 236 H ARG 34 H ARG 34 -6.041 -5.294 6.209 237 HA ARG 34 HA ARG 34 -3.632 -5.962 4.589 238 HB2 ARG 34 1HB ARG 34 -4.387 -3.552 6.309 239 HB3 ARG 34 2HB ARG 34 -2.763 -3.808 5.664 240 HG2 ARG 34 1HG ARG 34 -3.851 -4.093 3.369 241 HG3 ARG 34 2HG ARG 34 -5.322 -3.414 4.107 242 HD2 ARG 34 1HD ARG 34 -4.188 -1.350 4.609 243 HD3 ARG 34 2HD ARG 34 -2.605 -2.038 4.188 244 HE ARG 34 HE ARG 34 -3.943 -2.406 1.888 245 HH11 ARG 34 1HH1 ARG 34 -3.509 0.500 3.888 246 HH12 ARG 34 2HH1 ARG 34 -3.748 1.610 2.569 247 HH21 ARG 34 1HH2 ARG 34 -3.780 -0.987 0.137 248 HH22 ARG 34 2HH2 ARG 34 -3.593 0.699 0.349 249 H LYS 35 H LYS 35 -1.598 -5.722 5.651 250 HA LYS 35 HA LYS 35 -1.335 -6.515 8.420 251 HB2 LYS 35 1HB LYS 35 -1.468 -8.616 6.768 252 HB3 LYS 35 2HB LYS 35 0.132 -8.080 6.255 253 HG2 LYS 35 1HG LYS 35 0.786 -8.257 8.785 254 HG3 LYS 35 2HG LYS 35 -0.780 -9.029 9.006 255 HD2 LYS 35 1HD LYS 35 0.874 -10.736 8.782 256 HD3 LYS 35 2HD LYS 35 -0.108 -10.768 7.310 257 HE2 LYS 35 1HE LYS 35 1.632 -9.576 6.058 258 HE3 LYS 35 2HE LYS 35 2.564 -9.298 7.543 259 HZ1 LYS 35 3HZ LYS 35 2.854 -11.666 7.728 260 HZ2 LYS 35 1HZ LYS 35 3.429 -11.167 6.266 261 HZ3 LYS 35 2HZ LYS 35 1.967 -11.943 6.370 262 H ASP 36 H ASP 36 -0.900 -4.302 6.555 263 HA ASP 36 HA ASP 36 1.974 -3.794 6.833 264 HB2 ASP 36 1HB ASP 36 -0.221 -3.149 4.971 265 HB3 ASP 36 2HB ASP 36 1.082 -1.942 5.095 266 H TYR 37 H TYR 37 -0.499 -3.351 8.796 267 HA TYR 37 HA TYR 37 -0.711 -0.586 9.221 268 HB2 TYR 37 1HB TYR 37 -0.814 -2.147 11.691 269 HB3 TYR 37 2HB TYR 37 -1.923 -1.032 11.003 270 HD1 TYR 37 2HD TYR 37 -3.282 -2.036 8.746 271 HD2 TYR 37 1HD TYR 37 -1.476 -4.332 11.952 272 HE1 TYR 37 2HE TYR 37 -5.037 -3.750 8.534 273 HE2 TYR 37 1HE TYR 37 -3.180 -6.049 11.675 274 HH TYR 37 HH TYR 37 -6.046 -5.638 9.581 275 HA PRO 38 HA PRO 38 3.039 -0.761 12.217 276 HB2 PRO 38 1HB PRO 38 4.703 -2.942 12.230 277 HB3 PRO 38 2HB PRO 38 3.271 -2.774 13.293 278 HG2 PRO 38 1HG PRO 38 3.472 -4.284 10.664 279 HG3 PRO 38 2HG PRO 38 2.746 -4.831 12.211 280 HD2 PRO 38 1HD PRO 38 1.197 -3.833 10.245 281 HD3 PRO 38 2HD PRO 38 0.888 -3.470 11.954 282 H ALA 39 H ALA 39 4.052 0.756 11.006 283 HA ALA 39 HA ALA 39 5.131 0.351 8.342 284 HB1 ALA 39 1HB ALA 39 5.938 2.653 8.624 285 HB2 ALA 39 2HB ALA 39 4.244 2.525 9.124 286 HB3 ALA 39 3HB ALA 39 5.529 2.610 10.357 287 H LEU 40 H LEU 40 7.337 0.715 7.797 288 HA LEU 40 HA LEU 40 9.481 0.043 7.693 289 HB2 LEU 40 1HB LEU 40 9.566 1.112 10.500 290 HB3 LEU 40 2HB LEU 40 10.988 0.675 9.535 291 HG LEU 40 HG LEU 40 9.001 2.889 8.944 292 HD11 LEU 40 1HD1 LEU 40 11.970 2.997 9.656 293 HD12 LEU 40 2HD1 LEU 40 10.640 3.317 10.790 294 HD13 LEU 40 3HD1 LEU 40 10.895 4.384 9.398 295 HD21 LEU 40 3HD2 LEU 40 11.397 1.959 7.320 296 HD22 LEU 40 1HD2 LEU 40 10.622 3.550 7.132 297 HD23 LEU 40 2HD2 LEU 40 9.691 2.087 6.821 298 H LEU 41 H LEU 41 7.975 -1.887 7.807 299 HA LEU 41 HA LEU 41 8.061 -3.812 9.858 300 HB2 LEU 41 1HB LEU 41 7.150 -5.302 8.181 301 HB3 LEU 41 2HB LEU 41 6.498 -3.682 8.019 302 HG LEU 41 HG LEU 41 8.610 -3.585 6.261 303 HD11 LEU 41 1HD1 LEU 41 8.468 -5.567 4.831 304 HD12 LEU 41 2HD1 LEU 41 7.293 -6.300 5.938 305 HD13 LEU 41 3HD1 LEU 41 8.963 -6.019 6.464 306 HD21 LEU 41 3HD2 LEU 41 5.740 -4.263 5.615 307 HD22 LEU 41 1HD2 LEU 41 6.929 -3.586 4.496 308 HD23 LEU 41 2HD2 LEU 41 6.392 -2.637 5.885 309 HA PRO 42 HA PRO 42 12.189 -5.249 9.817 310 HB2 PRO 42 1HB PRO 42 11.971 -7.987 10.277 311 HB3 PRO 42 2HB PRO 42 11.801 -6.692 11.498 312 HG2 PRO 42 1HG PRO 42 9.618 -8.137 10.026 313 HG3 PRO 42 2HG PRO 42 9.702 -7.719 11.759 314 HD2 PRO 42 1HD PRO 42 8.274 -6.220 10.006 315 HD3 PRO 42 2HD PRO 42 9.203 -5.457 11.337 316 H LEU 43 H LEU 43 13.824 -6.197 8.655 317 HA LEU 43 HA LEU 43 13.137 -7.443 6.037 318 HB2 LEU 43 1HB LEU 43 15.035 -5.168 6.743 319 HB3 LEU 43 2HB LEU 43 15.460 -6.300 5.455 320 HG LEU 43 HG LEU 43 13.192 -4.312 5.543 321 HD11 LEU 43 1HD1 LEU 43 15.492 -3.667 4.778 322 HD12 LEU 43 2HD1 LEU 43 14.302 -3.578 3.455 323 HD13 LEU 43 3HD1 LEU 43 15.421 -4.951 3.554 324 HD21 LEU 43 3HD2 LEU 43 12.497 -5.188 3.289 325 HD22 LEU 43 1HD2 LEU 43 12.057 -6.225 4.631 326 HD23 LEU 43 2HD2 LEU 43 13.454 -6.649 3.611 327 H ASN 44 H ASN 44 13.683 -9.444 6.131 328 HA ASN 44 HA ASN 44 15.711 -10.508 7.956 329 HB2 ASN 44 1HB ASN 44 13.626 -11.753 7.459 330 HB3 ASN 44 2HB ASN 44 14.060 -11.813 5.761 331 HD21 ASN 44 1HD2 ASN 44 13.766 -14.112 6.253 332 HD22 ASN 44 2HD2 ASN 44 15.103 -15.110 6.842 333 H GLU 45 H GLU 45 17.782 -9.928 7.334 334 HA GLU 45 HA GLU 45 18.782 -9.569 4.754 335 HB2 GLU 45 1HB GLU 45 20.990 -9.819 5.730 336 HB3 GLU 45 2HB GLU 45 19.920 -8.954 6.820 337 HG2 GLU 45 1HG GLU 45 19.540 -11.246 8.008 338 HG3 GLU 45 2HG GLU 45 20.959 -11.790 7.092 339 H SER 46 H SER 46 18.223 -12.661 6.424 340 HA SER 46 HA SER 46 19.934 -14.184 4.686 341 HB2 SER 46 1HB SER 46 18.921 -14.609 7.112 342 HB3 SER 46 2HB SER 46 17.599 -15.361 6.205 343 HG SER 46 HG SER 46 18.849 -16.993 5.873 344 H GLU 47 H GLU 47 16.679 -12.881 4.359 345 HA GLU 47 HA GLU 47 15.911 -14.803 2.254 346 HB2 GLU 47 1HB GLU 47 14.468 -13.929 4.166 347 HB3 GLU 47 2HB GLU 47 14.337 -12.404 3.319 348 HG2 GLU 47 1HG GLU 47 13.660 -15.124 2.080 349 HG3 GLU 47 2HG GLU 47 12.513 -14.272 3.099 350 H LEU 48 H LEU 48 17.313 -11.681 2.643 351 HA LEU 48 HA LEU 48 16.707 -10.783 -0.055 352 HB2 LEU 48 1HB LEU 48 18.805 -9.565 1.770 353 HB3 LEU 48 2HB LEU 48 17.951 -8.798 0.440 354 HG LEU 48 HG LEU 48 16.934 -9.470 3.188 355 HD11 LEU 48 1HD1 LEU 48 16.492 -7.114 3.355 356 HD12 LEU 48 2HD1 LEU 48 17.063 -6.858 1.687 357 HD13 LEU 48 3HD1 LEU 48 18.190 -7.422 2.953 358 HD21 LEU 48 3HD2 LEU 48 15.051 -10.092 1.817 359 HD22 LEU 48 1HD2 LEU 48 15.242 -8.626 0.810 360 HD23 LEU 48 2HD2 LEU 48 14.706 -8.518 2.506 361 H GLU 49 H GLU 49 18.825 -9.816 -1.292 362 HA GLU 49 HA GLU 49 20.966 -11.842 -1.302 363 HB2 GLU 49 1HB GLU 49 20.975 -12.053 -3.657 364 HB3 GLU 49 2HB GLU 49 19.349 -12.444 -3.091 365 HG2 GLU 49 1HG GLU 49 18.597 -10.157 -3.765 366 HG3 GLU 49 2HG GLU 49 20.233 -9.797 -4.333 367 H GLU 50 H GLU 50 22.971 -10.955 -1.688 368 HA GLU 50 HA GLU 50 23.140 -8.017 -2.080 369 HB2 GLU 50 1HB GLU 50 24.975 -8.072 -0.424 370 HB3 GLU 50 2HB GLU 50 23.354 -8.360 0.234 371 HG2 GLU 50 1HG GLU 50 23.919 -10.849 0.224 372 HG3 GLU 50 2HG GLU 50 25.573 -10.393 -0.227 373 H GLN 51 H GLN 51 25.239 -7.314 -2.965 374 HA GLN 51 HA GLN 51 26.762 -9.500 -4.289 375 HB2 GLN 51 1HB GLN 51 25.619 -7.032 -5.585 376 HB3 GLN 51 2HB GLN 51 26.746 -8.140 -6.369 377 HG2 GLN 51 1HG GLN 51 25.148 -9.955 -6.329 378 HG3 GLN 51 2HG GLN 51 24.017 -9.057 -5.328 379 HE21 GLN 51 1HE2 GLN 51 22.545 -7.675 -6.234 380 HE22 GLN 51 2HE2 GLN 51 22.321 -7.572 -7.979 381 H PHE 52 H PHE 52 28.606 -9.270 -3.664 382 HA PHE 52 HA PHE 52 29.775 -7.009 -2.327 383 HB2 PHE 52 1HB PHE 52 31.073 -9.548 -3.390 384 HB3 PHE 52 2HB PHE 52 31.760 -8.480 -2.174 385 HD1 PHE 52 2HD PHE 52 30.719 -8.382 0.123 386 HD2 PHE 52 1HD PHE 52 29.455 -11.260 -2.834 387 HE1 PHE 52 2HE PHE 52 29.571 -9.720 1.895 388 HE2 PHE 52 1HE PHE 52 28.293 -12.546 -1.086 389 HZ PHE 52 HZ PHE 52 28.318 -11.784 1.265 390 H VAL 53 H VAL 53 31.902 -6.042 -2.999 391 HA VAL 53 HA VAL 53 32.221 -5.835 -5.949 392 HB VAL 53 HB VAL 53 32.256 -3.529 -3.951 393 HG11 VAL 53 1HG1 VAL 53 32.441 -2.097 -5.968 394 HG12 VAL 53 2HG1 VAL 53 33.842 -3.161 -5.807 395 HG13 VAL 53 3HG1 VAL 53 32.568 -3.553 -6.986 396 HG21 VAL 53 3HG2 VAL 53 30.226 -4.280 -6.101 397 HG22 VAL 53 1HG2 VAL 53 29.934 -4.209 -4.350 398 HG23 VAL 53 2HG2 VAL 53 30.247 -2.726 -5.247 399 H LYS 54 H LYS 54 34.197 -6.241 -6.549 400 HA LYS 54 HA LYS 54 36.513 -5.989 -4.677 401 HB2 LYS 54 1HB LYS 54 35.789 -8.279 -6.543 402 HB3 LYS 54 2HB LYS 54 37.415 -8.068 -5.897 403 HG2 LYS 54 1HG LYS 54 35.009 -8.248 -4.042 404 HG3 LYS 54 2HG LYS 54 35.785 -9.688 -4.709 405 HD2 LYS 54 1HD LYS 54 37.892 -9.151 -3.652 406 HD3 LYS 54 2HD LYS 54 37.306 -7.558 -3.148 407 HE2 LYS 54 1HE LYS 54 37.345 -9.223 -1.291 408 HE3 LYS 54 2HE LYS 54 35.755 -8.499 -1.579 409 HZ1 LYS 54 3HZ LYS 54 35.619 -10.929 -1.256 410 HZ2 LYS 54 1HZ LYS 54 36.484 -11.169 -2.653 411 HZ3 LYS 54 2HZ LYS 54 35.035 -10.446 -2.665 412 H GLY 55 H GLY 55 35.114 -5.206 -7.711 413 HA2 GLY 55 1HA GLY 55 36.317 -3.279 -8.747 414 HA3 GLY 55 2HA GLY 55 37.712 -4.368 -8.881 415 H HIS 56 H HIS 56 36.161 -3.054 -11.012 416 HA HIS 56 HA HIS 56 35.925 -5.185 -12.894 417 HB2 HIS 56 1HB HIS 56 33.703 -5.596 -12.059 418 HB3 HIS 56 2HB HIS 56 33.403 -3.875 -11.790 419 HD1 HIS 56 1HD HIS 56 33.963 -6.196 -14.901 420 HD2 HIS 56 2HD HIS 56 32.098 -2.628 -13.633 421 HE1 HIS 56 1HE HIS 56 32.814 -5.192 -16.952 422 H GLY 57 H GLY 57 36.559 -4.182 -14.832 423 HA2 GLY 57 1HA GLY 57 35.689 -1.765 -15.819 424 HA3 GLY 57 2HA GLY 57 37.138 -1.379 -14.870 425 HA PRO 58 HA PRO 58 38.236 -3.213 -19.100 426 HB2 PRO 58 1HB PRO 58 39.018 -0.987 -20.504 427 HB3 PRO 58 2HB PRO 58 37.342 -1.601 -20.417 428 HG2 PRO 58 1HG PRO 58 38.575 0.627 -18.835 429 HG3 PRO 58 2HG PRO 58 36.995 0.614 -19.671 430 HD2 PRO 58 1HD PRO 58 37.256 0.126 -16.979 431 HD3 PRO 58 2HD PRO 58 36.009 -0.675 -17.982 432 H GLY 59 H GLY 59 39.815 -1.107 -16.792 433 HA2 GLY 59 1HA GLY 59 41.956 -1.173 -15.971 434 HA3 GLY 59 2HA GLY 59 42.268 -2.588 -16.995 435 H GLY 60 H GLY 60 44.394 -1.638 -17.286 436 HA2 GLY 60 1HA GLY 60 45.988 -0.550 -18.513 437 HA3 GLY 60 2HA GLY 60 44.738 -0.311 -19.755 438 H GLN 61 H GLN 61 44.669 1.808 -20.257 439 HA GLN 61 HA GLN 61 45.541 3.903 -18.534 440 HB2 GLN 61 1HB GLN 61 43.726 4.234 -20.953 441 HB3 GLN 61 2HB GLN 61 44.848 5.407 -20.270 442 HG2 GLN 61 1HG GLN 61 45.496 2.897 -21.856 443 HG3 GLN 61 2HG GLN 61 45.825 4.567 -22.292 444 HE21 GLN 61 1HE2 GLN 61 47.516 5.763 -20.864 445 HE22 GLN 61 2HE2 GLN 61 48.771 4.731 -20.191 446 H ALA 62 H ALA 62 42.467 2.251 -18.589 447 HA ALA 62 HA ALA 62 40.940 4.558 -17.631 448 HB1 ALA 62 1HB ALA 62 39.877 2.828 -19.034 449 HB2 ALA 62 2HB ALA 62 40.226 1.614 -17.779 450 HB3 ALA 62 3HB ALA 62 39.109 2.948 -17.435 451 H THR 63 H THR 63 42.211 5.167 -15.795 452 HA THR 63 HA THR 63 42.802 3.376 -13.639 453 HB THR 63 HB THR 63 43.297 5.522 -12.435 454 HG1 THR 63 1HG THR 63 41.653 6.643 -13.738 455 HG21 THR 63 3HG2 THR 63 45.189 6.196 -13.841 456 HG22 THR 63 1HG2 THR 63 44.488 5.377 -15.245 457 HG23 THR 63 2HG2 THR 63 45.035 4.430 -13.848 458 H ASN 64 H ASN 64 40.880 2.302 -13.193 459 HA ASN 64 HA ASN 64 38.360 3.528 -12.560 460 HB2 ASN 64 1HB ASN 64 37.848 1.393 -13.028 461 HB3 ASN 64 2HB ASN 64 39.500 0.846 -12.808 462 HD21 ASN 64 1HD2 ASN 64 36.340 1.055 -11.260 463 HD22 ASN 64 2HD2 ASN 64 36.794 -0.013 -9.931 464 H LYS 65 H LYS 65 37.267 3.194 -10.396 465 HA LYS 65 HA LYS 65 39.116 3.634 -8.103 466 HB2 LYS 65 1HB LYS 65 36.742 5.400 -8.834 467 HB3 LYS 65 2HB LYS 65 37.391 5.257 -7.202 468 HG2 LYS 65 1HG LYS 65 38.586 7.078 -7.899 469 HG3 LYS 65 2HG LYS 65 39.714 5.782 -8.274 470 HD2 LYS 65 1HD LYS 65 38.474 5.922 -10.674 471 HD3 LYS 65 2HD LYS 65 38.094 7.543 -10.124 472 HE2 LYS 65 1HE LYS 65 40.863 6.266 -10.335 473 HE3 LYS 65 2HE LYS 65 40.175 7.402 -11.489 474 HZ1 LYS 65 3HZ LYS 65 40.827 8.020 -8.673 475 HZ2 LYS 65 1HZ LYS 65 40.165 9.085 -9.748 476 HZ3 LYS 65 2HZ LYS 65 41.680 8.500 -9.993 477 H THR 66 H THR 66 38.879 1.458 -7.697 478 HA THR 66 HA THR 66 36.221 0.328 -7.163 479 HB THR 66 HB THR 66 39.097 -0.681 -6.963 480 HG1 THR 66 1HG THR 66 38.498 -0.783 -9.021 481 HG21 THR 66 3HG2 THR 66 36.536 -2.256 -6.403 482 HG22 THR 66 1HG2 THR 66 37.830 -1.897 -5.228 483 HG23 THR 66 2HG2 THR 66 38.171 -2.930 -6.609 484 H SER 67 H SER 67 35.579 -0.354 -4.942 485 HA SER 67 HA SER 67 37.105 0.498 -2.676 486 HB2 SER 67 1HB SER 67 35.152 1.983 -1.850 487 HB3 SER 67 2HB SER 67 36.296 2.672 -3.006 488 HG SER 67 HG SER 67 34.841 2.375 -4.641 489 H ASN 68 H ASN 68 35.789 -0.064 -0.675 490 HA ASN 68 HA ASN 68 34.691 -2.727 -0.936 491 HB2 ASN 68 1HB ASN 68 35.042 -0.882 1.474 492 HB3 ASN 68 2HB ASN 68 34.474 -2.550 1.555 493 HD21 ASN 68 1HD2 ASN 68 37.385 -0.642 1.577 494 HD22 ASN 68 2HD2 ASN 68 38.420 -2.043 1.323 495 H CYS 69 H CYS 69 32.990 -1.168 -2.421 496 HA CYS 69 HA CYS 69 30.732 -0.163 -0.925 497 HB2 CYS 69 1HB CYS 69 31.414 0.554 -3.242 498 HB3 CYS 69 2HB CYS 69 30.892 -1.028 -3.846 499 HG CYS 69 HG CYS 69 28.898 0.868 -1.986 500 H VAL 70 H VAL 70 28.603 -1.080 -1.014 501 HA VAL 70 HA VAL 70 28.395 -4.034 -1.119 502 HB VAL 70 HB VAL 70 27.903 -2.024 1.092 503 HG11 VAL 70 1HG1 VAL 70 26.563 -4.703 1.342 504 HG12 VAL 70 2HG1 VAL 70 26.458 -3.272 2.364 505 HG13 VAL 70 3HG1 VAL 70 25.686 -3.248 0.788 506 HG21 VAL 70 3HG2 VAL 70 28.857 -3.975 2.455 507 HG22 VAL 70 1HG2 VAL 70 29.091 -4.825 0.932 508 HG23 VAL 70 2HG2 VAL 70 29.961 -3.304 1.232 509 H VAL 71 H VAL 71 26.624 -4.619 -2.304 510 HA VAL 71 HA VAL 71 24.648 -2.482 -2.939 511 HB VAL 71 HB VAL 71 25.550 -4.594 -4.906 512 HG11 VAL 71 1HG1 VAL 71 23.287 -3.808 -5.304 513 HG12 VAL 71 2HG1 VAL 71 23.752 -2.120 -5.037 514 HG13 VAL 71 3HG1 VAL 71 24.328 -2.984 -6.470 515 HG21 VAL 71 3HG2 VAL 71 26.645 -2.637 -6.092 516 HG22 VAL 71 1HG2 VAL 71 26.434 -1.685 -4.599 517 HG23 VAL 71 2HG2 VAL 71 27.456 -3.134 -4.608 518 H LEU 72 H LEU 72 22.712 -2.927 -2.251 519 HA LEU 72 HA LEU 72 21.934 -5.751 -1.714 520 HB2 LEU 72 1HB LEU 72 22.363 -4.246 0.334 521 HB3 LEU 72 2HB LEU 72 21.068 -3.222 -0.265 522 HG LEU 72 HG LEU 72 19.523 -5.268 -0.147 523 HD11 LEU 72 1HD1 LEU 72 20.211 -7.118 1.343 524 HD12 LEU 72 2HD1 LEU 72 21.844 -6.435 1.470 525 HD13 LEU 72 3HD1 LEU 72 21.244 -7.066 -0.079 526 HD21 LEU 72 3HD2 LEU 72 20.849 -4.329 2.416 527 HD22 LEU 72 1HD2 LEU 72 19.213 -5.035 2.255 528 HD23 LEU 72 2HD2 LEU 72 19.582 -3.458 1.533 529 H LYS 73 H LYS 73 19.863 -6.303 -2.438 530 HA LYS 73 HA LYS 73 18.229 -4.186 -3.623 531 HB2 LYS 73 1HB LYS 73 17.983 -5.234 -5.740 532 HB3 LYS 73 2HB LYS 73 19.710 -5.102 -5.449 533 HG2 LYS 73 1HG LYS 73 19.762 -7.274 -6.120 534 HG3 LYS 73 2HG LYS 73 19.279 -7.611 -4.466 535 HD2 LYS 73 1HD LYS 73 17.694 -8.834 -5.627 536 HD3 LYS 73 2HD LYS 73 16.813 -7.329 -5.434 537 HE2 LYS 73 1HE LYS 73 16.504 -8.018 -7.680 538 HE3 LYS 73 2HE LYS 73 17.618 -6.665 -7.759 539 HZ1 LYS 73 3HZ LYS 73 18.033 -8.924 -8.981 540 HZ2 LYS 73 1HZ LYS 73 18.747 -9.376 -7.576 541 HZ3 LYS 73 2HZ LYS 73 19.333 -8.086 -8.408 542 H HIS 74 H HIS 74 16.064 -4.812 -3.835 543 HA HIS 74 HA HIS 74 15.272 -6.954 -1.936 544 HB2 HIS 74 1HB HIS 74 14.504 -4.343 -1.904 545 HB3 HIS 74 2HB HIS 74 13.286 -4.973 -3.002 546 HD1 HIS 74 1HD HIS 74 11.230 -6.063 -1.705 547 HD2 HIS 74 2HD HIS 74 14.877 -6.006 0.440 548 HE1 HIS 74 1HE HIS 74 10.824 -7.261 0.485 549 H VAL 75 H VAL 75 14.684 -8.832 -2.938 550 HA VAL 75 HA VAL 75 14.505 -9.018 -5.785 551 HB VAL 75 HB VAL 75 14.136 -10.887 -3.443 552 HG11 VAL 75 1HG1 VAL 75 13.648 -11.621 -6.363 553 HG12 VAL 75 2HG1 VAL 75 13.982 -12.787 -5.063 554 HG13 VAL 75 3HG1 VAL 75 12.528 -11.788 -4.990 555 HG21 VAL 75 3HG2 VAL 75 16.029 -10.923 -5.830 556 HG22 VAL 75 1HG2 VAL 75 16.383 -10.091 -4.303 557 HG23 VAL 75 2HG2 VAL 75 16.153 -11.829 -4.310 558 HA PRO 76 HA PRO 76 9.814 -9.626 -5.353 559 HB2 PRO 76 1HB PRO 76 8.439 -8.937 -3.086 560 HB3 PRO 76 2HB PRO 76 9.226 -10.531 -3.302 561 HG2 PRO 76 1HG PRO 76 10.444 -8.062 -2.020 562 HG3 PRO 76 2HG PRO 76 10.239 -9.669 -1.252 563 HD2 PRO 76 1HD PRO 76 12.535 -9.053 -2.378 564 HD3 PRO 76 2HD PRO 76 11.820 -10.639 -2.795 565 H SER 77 H SER 77 11.478 -6.766 -4.308 566 HA SER 77 HA SER 77 9.236 -5.075 -5.351 567 HB2 SER 77 1HB SER 77 11.305 -4.043 -3.438 568 HB3 SER 77 2HB SER 77 9.679 -3.452 -3.743 569 HG SER 77 HG SER 77 8.904 -5.435 -2.705 570 H GLY 78 H GLY 78 12.408 -6.065 -5.932 571 HA2 GLY 78 1HA GLY 78 13.949 -5.618 -7.487 572 HA3 GLY 78 2HA GLY 78 12.809 -4.575 -8.304 573 H ILE 79 H ILE 79 13.066 -3.215 -5.289 574 HA ILE 79 HA ILE 79 14.564 -0.971 -6.169 575 HB ILE 79 HB ILE 79 14.046 -1.816 -3.285 576 HG12 ILE 79 1HG1 ILE 79 12.265 -0.163 -5.117 577 HG13 ILE 79 2HG1 ILE 79 11.926 -1.802 -4.561 578 HG21 ILE 79 1HG2 ILE 79 14.477 0.957 -4.510 579 HG22 ILE 79 2HG2 ILE 79 14.211 0.600 -2.790 580 HG23 ILE 79 3HG2 ILE 79 15.686 0.063 -3.567 581 HD11 ILE 79 3HD1 ILE 79 10.619 -0.404 -3.205 582 HD12 ILE 79 1HD1 ILE 79 11.966 -0.918 -2.177 583 HD13 ILE 79 2HD1 ILE 79 11.942 0.714 -2.896 584 H VAL 80 H VAL 80 16.739 -0.471 -6.058 585 HA VAL 80 HA VAL 80 18.614 -2.385 -4.768 586 HB VAL 80 HB VAL 80 19.139 -0.667 -7.234 587 HG11 VAL 80 1HG1 VAL 80 21.182 -1.336 -6.078 588 HG12 VAL 80 2HG1 VAL 80 20.647 -3.027 -6.023 589 HG13 VAL 80 3HG1 VAL 80 21.045 -2.255 -7.572 590 HG21 VAL 80 3HG2 VAL 80 17.451 -2.223 -7.969 591 HG22 VAL 80 1HG2 VAL 80 19.010 -2.728 -8.610 592 HG23 VAL 80 2HG2 VAL 80 18.317 -3.583 -7.215 593 H VAL 81 H VAL 81 20.405 -1.360 -3.724 594 HA VAL 81 HA VAL 81 20.549 1.540 -3.813 595 HB VAL 81 HB VAL 81 18.841 0.902 -2.060 596 HG11 VAL 81 1HG1 VAL 81 19.519 0.332 0.135 597 HG12 VAL 81 2HG1 VAL 81 20.088 -0.950 -0.952 598 HG13 VAL 81 3HG1 VAL 81 21.240 0.259 -0.316 599 HG21 VAL 81 3HG2 VAL 81 19.417 2.730 -0.649 600 HG22 VAL 81 1HG2 VAL 81 21.120 2.660 -1.163 601 HG23 VAL 81 2HG2 VAL 81 19.825 3.096 -2.313 602 H LYS 82 H LYS 82 22.570 2.290 -3.211 603 HA LYS 82 HA LYS 82 24.712 0.181 -2.982 604 HB2 LYS 82 1HB LYS 82 24.667 2.684 -4.710 605 HB3 LYS 82 2HB LYS 82 26.068 1.626 -4.484 606 HG2 LYS 82 1HG LYS 82 24.961 -0.229 -5.585 607 HG3 LYS 82 2HG LYS 82 23.406 0.602 -5.586 608 HD2 LYS 82 1HD LYS 82 24.200 0.704 -7.788 609 HD3 LYS 82 2HD LYS 82 24.344 2.330 -7.108 610 HE2 LYS 82 1HE LYS 82 26.789 1.834 -6.651 611 HE3 LYS 82 2HE LYS 82 26.585 0.277 -7.488 612 HZ1 LYS 82 3HZ LYS 82 25.939 1.554 -9.471 613 HZ2 LYS 82 1HZ LYS 82 27.444 1.976 -8.962 614 HZ3 LYS 82 2HZ LYS 82 26.149 2.959 -8.641 615 H CYS 83 H CYS 83 25.782 0.431 -1.076 616 HA CYS 83 HA CYS 83 26.126 3.197 -0.015 617 HB2 CYS 83 1HB CYS 83 25.357 0.654 1.473 618 HB3 CYS 83 2HB CYS 83 25.841 2.185 2.247 619 HG CYS 83 HG CYS 83 23.269 2.052 2.412 620 H HIS 84 H HIS 84 27.931 3.547 1.229 621 HA HIS 84 HA HIS 84 30.089 1.648 1.553 622 HB2 HIS 84 1HB HIS 84 31.716 2.900 0.241 623 HB3 HIS 84 2HB HIS 84 30.499 2.128 -0.756 624 HD1 HIS 84 1HD HIS 84 28.843 3.886 -2.248 625 HD2 HIS 84 2HD HIS 84 31.766 5.513 0.336 626 HE1 HIS 84 1HE HIS 84 29.089 6.270 -2.908 627 H GLN 85 H GLN 85 30.107 2.103 3.782 628 HA GLN 85 HA GLN 85 30.256 4.986 4.562 629 HB2 GLN 85 1HB GLN 85 28.257 3.708 5.343 630 HB3 GLN 85 2HB GLN 85 29.305 2.590 6.191 631 HG2 GLN 85 1HG GLN 85 29.764 5.475 6.842 632 HG3 GLN 85 2HG GLN 85 28.144 4.880 7.203 633 HE21 GLN 85 1HE2 GLN 85 27.973 4.331 9.398 634 HE22 GLN 85 2HE2 GLN 85 29.296 3.522 10.220 635 H THR 86 H THR 86 31.576 1.708 5.160 636 HA THR 86 HA THR 86 34.136 2.942 5.997 637 HB THR 86 HB THR 86 32.985 2.555 8.032 638 HG1 THR 86 1HG THR 86 34.343 1.376 9.029 639 HG21 THR 86 3HG2 THR 86 31.137 1.067 7.405 640 HG22 THR 86 1HG2 THR 86 32.051 0.358 8.727 641 HG23 THR 86 2HG2 THR 86 32.274 -0.251 7.063 642 H ARG 87 H ARG 87 35.660 0.944 6.377 643 HA ARG 87 HA ARG 87 35.747 -0.502 3.786 644 HB2 ARG 87 1HB ARG 87 38.049 -0.889 4.171 645 HB3 ARG 87 2HB ARG 87 37.718 0.791 4.552 646 HG2 ARG 87 1HG ARG 87 38.800 0.493 6.498 647 HG3 ARG 87 2HG ARG 87 37.442 -0.484 7.034 648 HD2 ARG 87 1HD ARG 87 38.743 -2.446 5.752 649 HD3 ARG 87 2HD ARG 87 40.115 -1.351 5.875 650 HE ARG 87 HE ARG 87 40.261 -1.771 8.125 651 HH11 ARG 87 1HH1 ARG 87 37.221 -3.125 6.898 652 HH12 ARG 87 2HH1 ARG 87 36.531 -3.381 8.460 653 HH21 ARG 87 1HH2 ARG 87 39.518 -2.551 10.226 654 HH22 ARG 87 2HH2 ARG 87 38.007 -3.372 10.341 655 H SER 88 H SER 88 33.989 -1.129 6.318 656 HA SER 88 HA SER 88 34.763 -4.007 6.649 657 HB2 SER 88 1HB SER 88 33.112 -2.085 8.318 658 HB3 SER 88 2HB SER 88 33.090 -3.834 8.558 659 HG SER 88 HG SER 88 34.428 -2.632 9.928 660 H VAL 89 H VAL 89 33.615 -5.250 5.226 661 HA VAL 89 HA VAL 89 31.345 -4.427 3.807 662 HB VAL 89 HB VAL 89 32.795 -6.177 3.054 663 HG11 VAL 89 1HG1 VAL 89 33.433 -7.275 5.200 664 HG12 VAL 89 2HG1 VAL 89 31.811 -8.017 5.272 665 HG13 VAL 89 3HG1 VAL 89 32.919 -8.415 3.960 666 HG21 VAL 89 3HG2 VAL 89 30.030 -7.347 3.555 667 HG22 VAL 89 1HG2 VAL 89 30.475 -6.231 2.245 668 HG23 VAL 89 2HG2 VAL 89 31.193 -7.848 2.315 669 H ASP 90 H ASP 90 31.541 -6.416 6.786 670 HA ASP 90 HA ASP 90 28.920 -6.979 7.306 671 HB2 ASP 90 1HB ASP 90 30.662 -7.810 8.736 672 HB3 ASP 90 2HB ASP 90 31.164 -6.180 9.194 673 H GLN 91 H GLN 91 30.587 -4.005 8.416 674 HA GLN 91 HA GLN 91 28.298 -2.827 9.597 675 HB2 GLN 91 1HB GLN 91 31.011 -1.830 8.673 676 HB3 GLN 91 2HB GLN 91 29.795 -0.713 9.215 677 HG2 GLN 91 1HG GLN 91 30.790 -1.006 11.219 678 HG3 GLN 91 2HG GLN 91 29.677 -2.358 11.346 679 HE21 GLN 91 1HE2 GLN 91 30.609 -4.622 11.081 680 HE22 GLN 91 2HE2 GLN 91 32.330 -4.781 11.303 681 H ASN 92 H ASN 92 29.801 -2.428 6.332 682 HA ASN 92 HA ASN 92 28.029 -0.424 5.419 683 HB2 ASN 92 1HB ASN 92 29.604 -2.555 3.972 684 HB3 ASN 92 2HB ASN 92 28.549 -1.410 3.114 685 HD21 ASN 92 1HD2 ASN 92 31.284 -1.345 2.377 686 HD22 ASN 92 2HD2 ASN 92 32.049 -0.043 3.235 687 H ARG 93 H ARG 93 27.568 -3.975 5.499 688 HA ARG 93 HA ARG 93 25.171 -4.094 3.946 689 HB2 ARG 93 1HB ARG 93 25.967 -5.764 6.348 690 HB3 ARG 93 2HB ARG 93 24.628 -6.134 5.272 691 HG2 ARG 93 1HG ARG 93 26.085 -6.653 3.457 692 HG3 ARG 93 2HG ARG 93 27.469 -5.953 4.255 693 HD2 ARG 93 1HD ARG 93 27.839 -8.217 4.561 694 HD3 ARG 93 2HD ARG 93 27.143 -7.742 6.118 695 HE ARG 93 HE ARG 93 25.503 -8.877 3.910 696 HH11 ARG 93 1HH1 ARG 93 26.786 -9.608 7.202 697 HH12 ARG 93 2HH1 ARG 93 25.606 -10.861 7.418 698 HH21 ARG 93 1HH2 ARG 93 24.296 -10.677 4.203 699 HH22 ARG 93 2HH2 ARG 93 24.171 -11.476 5.720 700 H LYS 94 H LYS 94 25.680 -3.185 7.375 701 HA LYS 94 HA LYS 94 22.925 -3.164 8.141 702 HB2 LYS 94 1HB LYS 94 25.019 -1.202 9.135 703 HB3 LYS 94 2HB LYS 94 23.552 -1.640 9.930 704 HG2 LYS 94 1HG LYS 94 25.403 -3.920 9.467 705 HG3 LYS 94 2HG LYS 94 26.090 -2.565 10.346 706 HD2 LYS 94 1HD LYS 94 25.241 -3.849 12.111 707 HD3 LYS 94 2HD LYS 94 23.987 -2.650 11.847 708 HE2 LYS 94 1HE LYS 94 22.754 -4.563 12.056 709 HE3 LYS 94 2HE LYS 94 22.887 -4.440 10.298 710 HZ1 LYS 94 3HZ LYS 94 23.329 -6.664 11.236 711 HZ2 LYS 94 1HZ LYS 94 24.670 -6.102 11.978 712 HZ3 LYS 94 2HZ LYS 94 24.585 -6.112 10.327 713 H ILE 95 H ILE 95 25.078 -0.428 7.102 714 HA ILE 95 HA ILE 95 23.143 1.469 7.149 715 HB ILE 95 HB ILE 95 25.580 1.239 5.316 716 HG12 ILE 95 1HG1 ILE 95 26.341 3.181 6.839 717 HG13 ILE 95 2HG1 ILE 95 25.022 2.755 7.916 718 HG21 ILE 95 1HG2 ILE 95 23.997 2.801 4.223 719 HG22 ILE 95 2HG2 ILE 95 23.817 3.695 5.739 720 HG23 ILE 95 3HG2 ILE 95 25.370 3.677 4.877 721 HD11 ILE 95 3HD1 ILE 95 27.373 0.964 7.126 722 HD12 ILE 95 1HD1 ILE 95 27.266 1.922 8.604 723 HD13 ILE 95 2HD1 ILE 95 26.121 0.613 8.366 724 H ALA 96 H ALA 96 24.039 -0.682 4.467 725 HA ALA 96 HA ALA 96 22.265 0.316 2.505 726 HB1 ALA 96 1HB ALA 96 23.377 -2.517 2.946 727 HB2 ALA 96 2HB ALA 96 22.645 -1.925 1.445 728 HB3 ALA 96 3HB ALA 96 24.169 -1.217 2.037 729 H ARG 97 H ARG 97 21.757 -2.426 4.829 730 HA ARG 97 HA ARG 97 19.107 -3.017 3.896 731 HB2 ARG 97 1HB ARG 97 20.501 -3.423 6.572 732 HB3 ARG 97 2HB ARG 97 18.825 -3.908 6.265 733 HG2 ARG 97 1HG ARG 97 19.468 -5.461 4.542 734 HG3 ARG 97 2HG ARG 97 21.159 -4.916 4.602 735 HD2 ARG 97 1HD ARG 97 20.833 -7.014 5.802 736 HD3 ARG 97 2HD ARG 97 21.398 -5.699 6.861 737 HE ARG 97 HE ARG 97 18.522 -5.917 6.893 738 HH11 ARG 97 1HH1 ARG 97 21.486 -7.166 8.319 739 HH12 ARG 97 2HH1 ARG 97 20.705 -8.002 9.616 740 HH21 ARG 97 1HH2 ARG 97 17.414 -7.094 8.564 741 HH22 ARG 97 2HH2 ARG 97 18.332 -7.848 9.804 742 H LYS 98 H LYS 98 20.282 -0.799 6.467 743 HA LYS 98 HA LYS 98 17.739 -0.030 7.423 744 HB2 LYS 98 1HB LYS 98 19.958 0.422 8.481 745 HB3 LYS 98 2HB LYS 98 20.266 1.675 7.286 746 HG2 LYS 98 1HG LYS 98 17.892 1.654 9.202 747 HG3 LYS 98 2HG LYS 98 19.428 2.419 9.558 748 HD2 LYS 98 1HD LYS 98 19.181 3.934 7.631 749 HD3 LYS 98 2HD LYS 98 17.589 3.259 7.268 750 HE2 LYS 98 1HE LYS 98 18.291 4.511 9.941 751 HE3 LYS 98 2HE LYS 98 17.567 5.406 8.601 752 HZ1 LYS 98 3HZ LYS 98 16.281 3.040 9.827 753 HZ2 LYS 98 1HZ LYS 98 15.626 4.011 8.717 754 HZ3 LYS 98 2HZ LYS 98 15.942 4.614 10.215 755 H VAL 99 H VAL 99 19.799 1.731 4.960 756 HA VAL 99 HA VAL 99 17.689 3.491 4.345 757 HB VAL 99 HB VAL 99 20.144 3.790 3.823 758 HG11 VAL 99 1HG1 VAL 99 20.725 1.799 2.704 759 HG12 VAL 99 2HG1 VAL 99 19.544 2.092 1.423 760 HG13 VAL 99 3HG1 VAL 99 20.947 3.163 1.605 761 HG21 VAL 99 3HG2 VAL 99 18.311 5.300 3.025 762 HG22 VAL 99 1HG2 VAL 99 19.636 5.210 1.848 763 HG23 VAL 99 2HG2 VAL 99 18.118 4.320 1.573 764 H LEU 100 H LEU 100 18.303 0.246 3.003 765 HA LEU 100 HA LEU 100 16.516 0.535 0.787 766 HB2 LEU 100 1HB LEU 100 18.207 -1.295 0.984 767 HB3 LEU 100 2HB LEU 100 17.286 -1.984 2.319 768 HG LEU 100 HG LEU 100 15.382 -2.427 0.824 769 HD11 LEU 100 1HD1 LEU 100 17.160 -1.224 -1.358 770 HD12 LEU 100 2HD1 LEU 100 15.552 -0.646 -0.838 771 HD13 LEU 100 3HD1 LEU 100 15.708 -2.192 -1.668 772 HD21 LEU 100 3HD2 LEU 100 17.145 -4.126 1.077 773 HD22 LEU 100 1HD2 LEU 100 17.993 -3.448 -0.342 774 HD23 LEU 100 2HD2 LEU 100 16.396 -4.195 -0.520 775 H GLN 101 H GLN 101 16.046 -0.591 4.133 776 HA GLN 101 HA GLN 101 13.452 -1.535 4.051 777 HB2 GLN 101 1HB GLN 101 15.189 -1.585 5.885 778 HB3 GLN 101 2HB GLN 101 14.725 0.072 6.307 779 HG2 GLN 101 1HG GLN 101 12.525 -0.658 6.945 780 HG3 GLN 101 2HG GLN 101 12.803 -2.255 6.232 781 HE21 GLN 101 1HE2 GLN 101 12.439 -3.382 8.187 782 HE22 GLN 101 2HE2 GLN 101 13.631 -3.355 9.485 783 H GLU 102 H GLU 102 14.478 1.882 4.428 784 HA GLU 102 HA GLU 102 11.969 3.020 5.005 785 HB2 GLU 102 1HB GLU 102 14.028 4.287 3.153 786 HB3 GLU 102 2HB GLU 102 12.913 5.114 4.226 787 HG2 GLU 102 1HG GLU 102 15.308 3.430 5.112 788 HG3 GLU 102 2HG GLU 102 15.316 5.161 4.893 789 H LYS 103 H LYS 103 13.458 2.254 1.932 790 HA LYS 103 HA LYS 103 11.390 3.288 0.212 791 HB2 LYS 103 1HB LYS 103 13.511 1.231 -0.459 792 HB3 LYS 103 2HB LYS 103 12.706 2.378 -1.553 793 HG2 LYS 103 1HG LYS 103 13.852 4.252 -0.287 794 HG3 LYS 103 2HG LYS 103 14.688 3.030 0.661 795 HD2 LYS 103 1HD LYS 103 15.652 2.070 -1.425 796 HD3 LYS 103 2HD LYS 103 14.935 3.423 -2.333 797 HE2 LYS 103 1HE LYS 103 16.840 3.669 0.044 798 HE3 LYS 103 2HE LYS 103 17.362 3.781 -1.637 799 HZ1 LYS 103 3HZ LYS 103 16.909 5.979 -0.528 800 HZ2 LYS 103 1HZ LYS 103 15.322 5.622 -0.466 801 HZ3 LYS 103 2HZ LYS 103 16.059 5.755 -1.918 802 H VAL 104 H VAL 104 12.186 0.007 1.459 803 HA VAL 104 HA VAL 104 10.206 -1.289 -0.207 804 HB VAL 104 HB VAL 104 11.711 -2.354 2.204 805 HG11 VAL 104 1HG1 VAL 104 9.625 -3.697 1.504 806 HG12 VAL 104 2HG1 VAL 104 10.363 -3.902 -0.073 807 HG13 VAL 104 3HG1 VAL 104 11.146 -4.561 1.386 808 HG21 VAL 104 3HG2 VAL 104 13.186 -1.666 0.230 809 HG22 VAL 104 1HG2 VAL 104 13.211 -3.392 0.603 810 HG23 VAL 104 2HG2 VAL 104 12.272 -2.791 -0.773 811 H ASP 105 H ASP 105 10.145 0.090 3.133 812 HA ASP 105 HA ASP 105 7.716 -1.054 4.081 813 HB2 ASP 105 1HB ASP 105 9.002 0.322 5.534 814 HB3 ASP 105 2HB ASP 105 9.004 1.681 4.411 815 H VAL 106 H VAL 106 8.200 2.023 2.501 816 HA VAL 106 HA VAL 106 5.604 2.741 1.790 817 HB VAL 106 HB VAL 106 8.276 3.322 0.427 818 HG11 VAL 106 1HG1 VAL 106 5.570 4.634 -0.004 819 HG12 VAL 106 2HG1 VAL 106 7.121 5.346 -0.498 820 HG13 VAL 106 3HG1 VAL 106 6.592 3.835 -1.225 821 HG21 VAL 106 3HG2 VAL 106 8.122 5.452 1.661 822 HG22 VAL 106 1HG2 VAL 106 6.574 4.941 2.362 823 HG23 VAL 106 2HG2 VAL 106 8.075 4.088 2.780 824 H PHE 107 H PHE 107 7.798 0.495 0.100 825 HA PHE 107 HA PHE 107 6.252 0.309 -2.320 826 HB2 PHE 107 1HB PHE 107 8.666 -0.382 -1.937 827 HB3 PHE 107 2HB PHE 107 8.048 -1.847 -1.192 828 HD1 PHE 107 1HD PHE 107 6.667 -3.495 -2.512 829 HD2 PHE 107 2HD PHE 107 8.640 -0.130 -4.365 830 HE1 PHE 107 1HE PHE 107 6.552 -4.627 -4.693 831 HE2 PHE 107 2HE PHE 107 8.514 -1.270 -6.555 832 HZ PHE 107 HZ PHE 107 7.487 -3.522 -6.737 833 H TYR 108 H TYR 108 6.165 -1.483 0.802 834 HA TYR 108 HA TYR 108 4.159 -3.374 -0.171 835 HB2 TYR 108 1HB TYR 108 5.204 -2.698 2.608 836 HB3 TYR 108 2HB TYR 108 3.957 -3.878 2.275 837 HD1 TYR 108 1HD TYR 108 6.796 -3.862 -0.149 838 HD2 TYR 108 2HD TYR 108 5.231 -5.448 3.542 839 HE1 TYR 108 1HE TYR 108 8.456 -5.663 -0.228 840 HE2 TYR 108 2HE TYR 108 6.922 -7.241 3.488 841 HH TYR 108 HH TYR 108 8.858 -7.958 2.476 842 H ASN 109 H ASN 109 4.207 -0.372 1.753 843 HA ASN 109 HA ASN 109 1.457 -0.379 2.572 844 HB2 ASN 109 1HB ASN 109 3.514 1.856 2.255 845 HB3 ASN 109 2HB ASN 109 1.874 2.168 2.757 846 HD21 ASN 109 1HD2 ASN 109 4.812 0.460 3.663 847 HD22 ASN 109 2HD2 ASN 109 4.747 0.775 5.331 848 H SER 110 H SER 110 3.079 1.644 0.084 849 HA SER 110 HA SER 110 0.535 2.476 -1.036 850 HB2 SER 110 1HB SER 110 3.434 3.264 -1.516 851 HB3 SER 110 2HB SER 110 2.007 4.110 -2.186 852 HG SER 110 HG SER 110 2.713 5.039 -0.203 853 H GLY 111 H GLY 111 0.673 2.872 -3.521 854 HA2 GLY 111 1HA GLY 111 1.243 0.261 -4.866 855 HA3 GLY 111 2HA GLY 111 -0.158 1.284 -5.187 856 HA PRO 112 HA PRO 112 3.393 2.572 -8.003 857 HB2 PRO 112 1HB PRO 112 2.814 1.234 -10.297 858 HB3 PRO 112 2HB PRO 112 3.653 0.423 -8.940 859 HG2 PRO 112 1HG PRO 112 0.708 0.328 -9.657 860 HG3 PRO 112 2HG PRO 112 1.806 -1.027 -9.212 861 HD2 PRO 112 1HD PRO 112 0.102 0.249 -7.445 862 HD3 PRO 112 2HD PRO 112 1.627 -0.566 -6.965 863 H SER 113 H SER 113 3.114 3.666 -10.230 864 HA SER 113 HA SER 113 0.770 5.433 -10.105 865 HB2 SER 113 1HB SER 113 3.185 5.226 -11.947 866 HB3 SER 113 2HB SER 113 1.972 6.513 -12.042 867 HG SER 113 HG SER 113 3.290 5.985 -9.588 868 H SER 114 H SER 114 1.613 2.471 -11.831 869 HA SER 114 HA SER 114 -0.818 2.699 -13.428 870 HB2 SER 114 1HB SER 114 1.879 2.046 -14.689 871 HB3 SER 114 2HB SER 114 0.330 2.254 -15.526 872 HG SER 114 HG SER 114 0.897 4.248 -15.749 873 H GLY 115 H GLY 115 -1.318 0.702 -14.580 874 HA2 GLY 115 1HA GLY 115 -1.035 -1.616 -14.964 875 HA3 GLY 115 2HA GLY 115 -0.284 -1.803 -13.382 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -21.927 41.773 108.279 2 HA2 GLY 1 1HA GLY 1 -19.992 44.034 108.207 3 HA3 GLY 1 2HA GLY 1 -19.541 42.322 108.004 4 H SER 2 H SER 2 -18.660 43.480 105.844 5 HA SER 2 HA SER 2 -20.524 44.249 103.870 6 HB2 SER 2 1HB SER 2 -17.746 43.057 103.465 7 HB3 SER 2 2HB SER 2 -18.575 44.276 102.467 8 HG SER 2 HG SER 2 -17.080 45.308 103.814 9 H SER 3 H SER 3 -20.924 43.023 101.819 10 HA SER 3 HA SER 3 -21.878 40.368 102.268 11 HB2 SER 3 1HB SER 3 -22.708 42.288 100.721 12 HB3 SER 3 2HB SER 3 -21.493 41.718 99.570 13 HG SER 3 HG SER 3 -23.801 40.913 99.540 14 H GLY 4 H GLY 4 -18.698 41.313 101.810 15 HA2 GLY 4 1HA GLY 4 -16.770 40.174 101.265 16 HA3 GLY 4 2HA GLY 4 -17.736 38.673 101.312 17 H SER 5 H SER 5 -16.601 37.927 99.366 18 HA SER 5 HA SER 5 -16.692 39.446 96.924 19 HB2 SER 5 1HB SER 5 -15.186 37.383 97.772 20 HB3 SER 5 2HB SER 5 -16.412 36.451 96.892 21 HG SER 5 HG SER 5 -14.684 37.066 95.528 22 H SER 6 H SER 6 -19.153 37.745 98.616 23 HA SER 6 HA SER 6 -21.148 36.856 98.107 24 HB2 SER 6 1HB SER 6 -21.152 39.457 97.709 25 HB3 SER 6 2HB SER 6 -21.424 39.021 96.019 26 HG SER 6 HG SER 6 -22.994 38.687 98.305 27 H GLY 7 H GLY 7 -19.218 35.337 96.835 28 HA2 GLY 7 1HA GLY 7 -19.468 34.962 94.060 29 HA3 GLY 7 2HA GLY 7 -18.966 33.716 95.225 30 H LYS 8 H LYS 8 -20.864 33.796 92.759 31 HA LYS 8 HA LYS 8 -22.779 31.917 93.712 32 HB2 LYS 8 1HB LYS 8 -24.793 33.170 92.938 33 HB3 LYS 8 2HB LYS 8 -24.053 33.815 94.393 34 HG2 LYS 8 1HG LYS 8 -22.953 35.621 92.961 35 HG3 LYS 8 2HG LYS 8 -23.861 34.979 91.587 36 HD2 LYS 8 1HD LYS 8 -25.109 36.844 92.417 37 HD3 LYS 8 2HD LYS 8 -25.990 35.388 92.867 38 HE2 LYS 8 1HE LYS 8 -26.085 36.835 94.759 39 HE3 LYS 8 2HE LYS 8 -24.948 35.554 95.182 40 HZ1 LYS 8 3HZ LYS 8 -24.188 38.276 94.287 41 HZ2 LYS 8 1HZ LYS 8 -23.140 37.065 94.665 42 HZ3 LYS 8 2HZ LYS 8 -24.058 37.697 95.825 43 H TRP 9 H TRP 9 -24.187 31.298 91.596 44 HA TRP 9 HA TRP 9 -22.544 31.660 89.169 45 HB2 TRP 9 1HB TRP 9 -22.698 29.268 88.719 46 HB3 TRP 9 2HB TRP 9 -21.830 29.572 90.206 47 HD1 TRP 9 HD TRP 9 -23.003 28.819 92.500 48 HE1 TRP 9 1HE TRP 9 -24.828 27.100 93.029 49 HE3 TRP 9 3HE TRP 9 -24.831 28.086 87.780 50 HZ2 TRP 9 2HZ TRP 9 -26.872 25.637 91.598 51 HZ3 TRP 9 3HZ TRP 9 -26.718 26.524 87.389 52 HH2 TRP 9 HH TRP 9 -27.745 25.300 89.294 53 H GLY 10 H GLY 10 -23.944 30.449 87.291 54 HA2 GLY 10 1HA GLY 10 -26.784 30.652 87.519 55 HA3 GLY 10 2HA GLY 10 -26.067 32.024 86.638 56 H LEU 11 H LEU 11 -27.557 30.708 84.986 57 HA LEU 11 HA LEU 11 -26.397 28.304 83.868 58 HB2 LEU 11 1HB LEU 11 -28.551 30.214 82.891 59 HB3 LEU 11 2HB LEU 11 -28.049 28.815 81.951 60 HG LEU 11 HG LEU 11 -29.164 28.643 84.782 61 HD11 LEU 11 1HD1 LEU 11 -30.855 29.458 83.178 62 HD12 LEU 11 2HD1 LEU 11 -31.219 27.812 83.707 63 HD13 LEU 11 3HD1 LEU 11 -30.512 28.087 82.101 64 HD21 LEU 11 3HD2 LEU 11 -27.758 26.690 84.276 65 HD22 LEU 11 1HD2 LEU 11 -28.572 26.478 82.703 66 HD23 LEU 11 2HD2 LEU 11 -29.452 26.223 84.220 67 H ARG 12 H ARG 12 -25.826 28.181 81.530 68 HA ARG 12 HA ARG 12 -24.426 30.474 80.406 69 HB2 ARG 12 1HB ARG 12 -22.298 29.509 80.346 70 HB3 ARG 12 2HB ARG 12 -22.825 29.264 82.001 71 HG2 ARG 12 1HG ARG 12 -22.749 27.213 79.759 72 HG3 ARG 12 2HG ARG 12 -21.633 27.313 81.108 73 HD2 ARG 12 1HD ARG 12 -23.313 26.616 82.701 74 HD3 ARG 12 2HD ARG 12 -24.605 26.716 81.499 75 HE ARG 12 HE ARG 12 -22.694 24.579 81.837 76 HH11 ARG 12 1HH1 ARG 12 -25.152 26.019 79.586 77 HH12 ARG 12 2HH1 ARG 12 -24.938 24.724 78.446 78 HH21 ARG 12 1HH2 ARG 12 -22.662 22.803 80.264 79 HH22 ARG 12 2HH2 ARG 12 -23.563 23.000 78.797 80 H LEU 13 H LEU 13 -23.684 29.877 78.055 81 HA LEU 13 HA LEU 13 -25.313 27.714 76.850 82 HB2 LEU 13 1HB LEU 13 -24.920 30.614 75.944 83 HB3 LEU 13 2HB LEU 13 -25.530 29.344 74.912 84 HG LEU 13 HG LEU 13 -27.344 30.643 75.516 85 HD11 LEU 13 1HD1 LEU 13 -27.749 28.202 75.462 86 HD12 LEU 13 2HD1 LEU 13 -28.882 29.066 76.510 87 HD13 LEU 13 3HD1 LEU 13 -27.555 28.137 77.234 88 HD21 LEU 13 3HD2 LEU 13 -28.110 31.254 77.662 89 HD22 LEU 13 1HD2 LEU 13 -26.394 31.673 77.606 90 HD23 LEU 13 2HD2 LEU 13 -26.942 30.224 78.493 91 H GLN 14 H GLN 14 -24.397 27.362 74.499 92 HA GLN 14 HA GLN 14 -21.773 28.123 73.879 93 HB2 GLN 14 1HB GLN 14 -20.704 25.903 74.013 94 HB3 GLN 14 2HB GLN 14 -20.990 26.645 75.575 95 HG2 GLN 14 1HG GLN 14 -22.929 24.570 74.438 96 HG3 GLN 14 2HG GLN 14 -21.429 24.073 75.192 97 HE21 GLN 14 1HE2 GLN 14 -21.822 26.564 77.145 98 HE22 GLN 14 2HE2 GLN 14 -22.884 25.850 78.335 99 H GLU 15 H GLU 15 -21.117 26.866 71.835 100 HA GLU 15 HA GLU 15 -23.543 26.419 70.271 101 HB2 GLU 15 1HB GLU 15 -21.948 28.210 69.663 102 HB3 GLU 15 2HB GLU 15 -20.696 27.012 69.376 103 HG2 GLU 15 1HG GLU 15 -22.029 28.068 67.375 104 HG3 GLU 15 2HG GLU 15 -21.614 26.350 67.359 105 H LYS 16 H LYS 16 -22.926 24.798 68.248 106 HA LYS 16 HA LYS 16 -22.362 22.202 69.557 107 HB2 LYS 16 1HB LYS 16 -24.246 23.173 67.345 108 HB3 LYS 16 2HB LYS 16 -23.739 21.513 67.379 109 HG2 LYS 16 1HG LYS 16 -25.792 21.497 68.481 110 HG3 LYS 16 2HG LYS 16 -24.570 21.288 69.723 111 HD2 LYS 16 1HD LYS 16 -26.112 22.690 70.678 112 HD3 LYS 16 2HD LYS 16 -24.854 23.813 70.237 113 HE2 LYS 16 1HE LYS 16 -27.283 23.287 68.467 114 HE3 LYS 16 2HE LYS 16 -27.369 24.412 69.830 115 HZ1 LYS 16 3HZ LYS 16 -25.753 25.830 68.745 116 HZ2 LYS 16 1HZ LYS 16 -26.891 25.496 67.662 117 HZ3 LYS 16 2HZ LYS 16 -25.419 24.802 67.602 118 HA PRO 17 HA PRO 17 -19.065 21.553 66.674 119 HB2 PRO 17 1HB PRO 17 -19.176 18.856 66.164 120 HB3 PRO 17 2HB PRO 17 -18.752 19.505 67.783 121 HG2 PRO 17 1HG PRO 17 -21.483 18.567 66.813 122 HG3 PRO 17 2HG PRO 17 -20.615 18.076 68.305 123 HD2 PRO 17 1HD PRO 17 -22.489 20.040 68.375 124 HD3 PRO 17 2HD PRO 17 -20.990 20.183 69.319 125 H ALA 18 H ALA 18 -18.616 20.799 64.390 126 HA ALA 18 HA ALA 18 -21.021 20.874 62.637 127 HB1 ALA 18 1HB ALA 18 -19.773 23.020 62.629 128 HB2 ALA 18 2HB ALA 18 -18.289 22.152 62.160 129 HB3 ALA 18 3HB ALA 18 -19.685 22.201 61.061 130 H LEU 19 H LEU 19 -20.243 20.144 60.303 131 HA LEU 19 HA LEU 19 -18.362 17.932 60.321 132 HB2 LEU 19 1HB LEU 19 -19.918 16.301 59.474 133 HB3 LEU 19 2HB LEU 19 -20.386 16.833 61.064 134 HG LEU 19 HG LEU 19 -22.290 16.381 59.720 135 HD11 LEU 19 1HD1 LEU 19 -22.451 18.244 61.376 136 HD12 LEU 19 2HD1 LEU 19 -23.648 18.294 60.074 137 HD13 LEU 19 3HD1 LEU 19 -22.265 19.396 60.030 138 HD21 LEU 19 3HD2 LEU 19 -22.990 17.496 57.737 139 HD22 LEU 19 1HD2 LEU 19 -21.371 16.856 57.459 140 HD23 LEU 19 2HD2 LEU 19 -21.608 18.596 57.759 141 H LEU 20 H LEU 20 -18.410 16.954 57.919 142 HA LEU 20 HA LEU 20 -18.806 19.046 55.927 143 HB2 LEU 20 1HB LEU 20 -16.588 18.495 54.994 144 HB3 LEU 20 2HB LEU 20 -16.541 19.337 56.528 145 HG LEU 20 HG LEU 20 -15.986 17.169 57.670 146 HD11 LEU 20 1HD1 LEU 20 -15.781 16.091 54.820 147 HD12 LEU 20 2HD1 LEU 20 -16.793 15.456 56.141 148 HD13 LEU 20 3HD1 LEU 20 -15.046 15.322 56.242 149 HD21 LEU 20 3HD2 LEU 20 -13.652 17.153 56.907 150 HD22 LEU 20 1HD2 LEU 20 -14.266 18.806 57.005 151 HD23 LEU 20 2HD2 LEU 20 -14.112 18.013 55.420 152 H PHE 21 H PHE 21 -18.297 17.916 53.679 153 HA PHE 21 HA PHE 21 -19.750 15.326 53.656 154 HB2 PHE 21 1HB PHE 21 -19.666 17.668 51.718 155 HB3 PHE 21 2HB PHE 21 -20.328 16.112 51.283 156 HD1 PHE 21 2HD PHE 21 -20.837 19.107 53.421 157 HD2 PHE 21 1HD PHE 21 -22.456 15.307 52.176 158 HE1 PHE 21 2HE PHE 21 -23.017 19.698 54.440 159 HE2 PHE 21 1HE PHE 21 -24.638 15.909 53.186 160 HZ PHE 21 HZ PHE 21 -24.920 18.102 54.323 161 HA PRO 22 HA PRO 22 -16.132 13.628 51.754 162 HB2 PRO 22 1HB PRO 22 -17.090 11.518 50.313 163 HB3 PRO 22 2HB PRO 22 -17.231 11.581 52.097 164 HG2 PRO 22 1HG PRO 22 -19.320 12.374 50.037 165 HG3 PRO 22 2HG PRO 22 -19.522 11.276 51.444 166 HD2 PRO 22 1HD PRO 22 -20.202 13.921 51.544 167 HD3 PRO 22 2HD PRO 22 -19.517 13.081 52.965 168 H GLY 23 H GLY 23 -15.191 12.981 49.578 169 HA2 GLY 23 1HA GLY 23 -15.760 15.078 47.594 170 HA3 GLY 23 2HA GLY 23 -14.357 13.988 47.644 171 H MET 24 H MET 24 -15.153 14.074 45.211 172 HA MET 24 HA MET 24 -16.814 11.678 44.696 173 HB2 MET 24 1HB MET 24 -18.088 13.854 44.324 174 HB3 MET 24 2HB MET 24 -16.863 14.296 43.131 175 HG2 MET 24 1HG MET 24 -17.504 12.145 41.876 176 HG3 MET 24 2HG MET 24 -18.818 11.969 43.035 177 HE1 MET 24 3HE MET 24 -18.422 15.097 39.649 178 HE2 MET 24 1HE MET 24 -17.261 15.072 40.991 179 HE3 MET 24 2HE MET 24 -17.383 13.675 39.897 180 H ALA 25 H ALA 25 -16.187 10.637 42.608 181 HA ALA 25 HA ALA 25 -13.843 11.446 41.168 182 HB1 ALA 25 1HB ALA 25 -13.911 8.886 42.863 183 HB2 ALA 25 2HB ALA 25 -12.724 9.248 41.597 184 HB3 ALA 25 3HB ALA 25 -12.775 10.239 43.070 185 H ALA 26 H ALA 26 -14.597 10.974 39.115 186 HA ALA 26 HA ALA 26 -16.715 8.897 38.837 187 HB1 ALA 26 1HB ALA 26 -17.641 10.275 37.049 188 HB2 ALA 26 2HB ALA 26 -17.516 11.207 38.563 189 HB3 ALA 26 3HB ALA 26 -16.333 11.465 37.254 190 H SER 27 H SER 27 -16.727 8.206 36.303 191 HA SER 27 HA SER 27 -14.110 7.014 35.996 192 HB2 SER 27 1HB SER 27 -16.381 5.945 35.494 193 HB3 SER 27 2HB SER 27 -16.340 6.848 33.961 194 HG SER 27 HG SER 27 -15.057 5.398 33.270 195 H THR 28 H THR 28 -12.771 7.156 34.230 196 HA THR 28 HA THR 28 -12.233 9.783 33.165 197 HB THR 28 HB THR 28 -10.115 8.358 32.519 198 HG1 THR 28 1HG THR 28 -11.275 6.290 32.837 199 HG21 THR 28 3HG2 THR 28 -10.075 9.867 34.402 200 HG22 THR 28 1HG2 THR 28 -9.424 8.325 34.955 201 HG23 THR 28 2HG2 THR 28 -11.065 8.777 35.394 202 H VAL 29 H VAL 29 -10.810 8.945 30.821 203 HA VAL 29 HA VAL 29 -13.057 8.774 28.922 204 HB VAL 29 HB VAL 29 -11.284 9.210 27.226 205 HG11 VAL 29 1HG1 VAL 29 -11.283 11.196 29.526 206 HG12 VAL 29 2HG1 VAL 29 -10.925 11.542 27.815 207 HG13 VAL 29 3HG1 VAL 29 -12.550 11.042 28.295 208 HG21 VAL 29 3HG2 VAL 29 -9.382 9.525 29.604 209 HG22 VAL 29 1HG2 VAL 29 -9.291 8.271 28.347 210 HG23 VAL 29 2HG2 VAL 29 -9.039 9.961 27.919 211 H GLN 30 H GLN 30 -13.175 7.147 27.310 212 HA GLN 30 HA GLN 30 -12.154 4.529 28.140 213 HB2 GLN 30 1HB GLN 30 -13.900 5.347 25.768 214 HB3 GLN 30 2HB GLN 30 -13.597 3.697 26.316 215 HG2 GLN 30 1HG GLN 30 -15.166 5.795 27.843 216 HG3 GLN 30 2HG GLN 30 -15.812 4.405 26.975 217 HE21 GLN 30 1HE2 GLN 30 -16.266 2.539 28.334 218 HE22 GLN 30 2HE2 GLN 30 -15.437 2.336 29.853 219 H VAL 31 H VAL 31 -11.833 3.275 25.750 220 HA VAL 31 HA VAL 31 -9.112 3.657 25.127 221 HB VAL 31 HB VAL 31 -11.327 2.347 23.494 222 HG11 VAL 31 1HG1 VAL 31 -9.164 2.418 22.292 223 HG12 VAL 31 2HG1 VAL 31 -8.370 1.636 23.687 224 HG13 VAL 31 3HG1 VAL 31 -9.601 0.774 22.736 225 HG21 VAL 31 3HG2 VAL 31 -11.471 1.426 25.763 226 HG22 VAL 31 1HG2 VAL 31 -10.720 0.227 24.727 227 HG23 VAL 31 2HG2 VAL 31 -9.711 1.195 25.822 228 H ALA 32 H ALA 32 -8.217 4.450 23.012 229 HA ALA 32 HA ALA 32 -9.940 6.550 21.802 230 HB1 ALA 32 1HB ALA 32 -7.980 7.962 21.567 231 HB2 ALA 32 2HB ALA 32 -8.104 7.462 23.262 232 HB3 ALA 32 3HB ALA 32 -6.941 6.662 22.177 233 H GLY 33 H GLY 33 -8.995 7.292 19.647 234 HA2 GLY 33 1HA GLY 33 -9.208 5.143 17.805 235 HA3 GLY 33 2HA GLY 33 -8.676 6.795 17.438 236 H ARG 34 H ARG 34 -7.558 4.511 16.209 237 HA ARG 34 HA ARG 34 -5.139 3.731 17.566 238 HB2 ARG 34 1HB ARG 34 -6.321 3.301 14.838 239 HB3 ARG 34 2HB ARG 34 -4.571 3.169 14.942 240 HG2 ARG 34 1HG ARG 34 -6.434 1.657 16.815 241 HG3 ARG 34 2HG ARG 34 -5.832 1.036 15.269 242 HD2 ARG 34 1HD ARG 34 -3.532 1.211 16.000 243 HD3 ARG 34 2HD ARG 34 -4.037 1.859 17.547 244 HE ARG 34 HE ARG 34 -4.782 -0.848 16.500 245 HH11 ARG 34 1HH1 ARG 34 -3.816 1.204 19.272 246 HH12 ARG 34 2HH1 ARG 34 -3.408 -0.148 20.278 247 HH21 ARG 34 1HH2 ARG 34 -4.349 -2.624 17.933 248 HH22 ARG 34 2HH2 ARG 34 -3.940 -2.355 19.568 249 H LYS 35 H LYS 35 -2.980 4.126 16.843 250 HA LYS 35 HA LYS 35 -2.347 6.587 15.416 251 HB2 LYS 35 1HB LYS 35 -1.616 6.119 18.336 252 HB3 LYS 35 2HB LYS 35 -0.864 7.322 17.273 253 HG2 LYS 35 1HG LYS 35 -3.322 8.165 16.890 254 HG3 LYS 35 2HG LYS 35 -3.699 7.268 18.360 255 HD2 LYS 35 1HD LYS 35 -1.634 9.488 18.049 256 HD3 LYS 35 2HD LYS 35 -3.247 9.669 18.745 257 HE2 LYS 35 1HE LYS 35 -2.678 8.138 20.585 258 HE3 LYS 35 2HE LYS 35 -1.077 7.841 19.875 259 HZ1 LYS 35 3HZ LYS 35 -2.041 10.481 20.810 260 HZ2 LYS 35 1HZ LYS 35 -0.560 10.150 20.172 261 HZ3 LYS 35 2HZ LYS 35 -1.007 9.529 21.630 262 H ASP 36 H ASP 36 0.077 6.624 15.205 263 HA ASP 36 HA ASP 36 1.865 5.693 14.222 264 HB2 ASP 36 1HB ASP 36 2.213 5.540 16.682 265 HB3 ASP 36 2HB ASP 36 1.954 3.806 16.573 266 H TYR 37 H TYR 37 0.026 4.922 12.722 267 HA TYR 37 HA TYR 37 -0.289 2.058 12.440 268 HB2 TYR 37 1HB TYR 37 -0.884 3.399 9.998 269 HB3 TYR 37 2HB TYR 37 -1.936 2.576 11.090 270 HD1 TYR 37 2HD TYR 37 -2.265 4.273 13.454 271 HD2 TYR 37 1HD TYR 37 -1.804 5.381 9.298 272 HE1 TYR 37 2HE TYR 37 -3.679 6.292 13.795 273 HE2 TYR 37 1HE TYR 37 -3.117 7.421 9.685 274 HH TYR 37 HH TYR 37 -4.376 8.643 11.215 275 HA PRO 38 HA PRO 38 2.888 2.552 8.896 276 HB2 PRO 38 1HB PRO 38 4.498 4.807 8.825 277 HB3 PRO 38 2HB PRO 38 2.967 4.648 7.915 278 HG2 PRO 38 1HG PRO 38 3.396 6.003 10.572 279 HG3 PRO 38 2HG PRO 38 2.504 6.582 9.117 280 HD2 PRO 38 1HD PRO 38 1.181 5.465 11.176 281 HD3 PRO 38 2HD PRO 38 0.713 5.101 9.503 282 H ALA 39 H ALA 39 4.496 1.253 9.471 283 HA ALA 39 HA ALA 39 6.410 1.942 11.593 284 HB1 ALA 39 1HB ALA 39 4.665 -0.564 11.457 285 HB2 ALA 39 2HB ALA 39 6.132 -0.430 12.443 286 HB3 ALA 39 3HB ALA 39 4.741 0.624 12.778 287 H LEU 40 H LEU 40 8.337 0.625 11.360 288 HA LEU 40 HA LEU 40 9.026 0.179 8.559 289 HB2 LEU 40 1HB LEU 40 10.544 -0.214 11.177 290 HB3 LEU 40 2HB LEU 40 11.229 -0.596 9.597 291 HG LEU 40 HG LEU 40 10.289 2.180 10.446 292 HD11 LEU 40 1HD1 LEU 40 12.704 2.661 10.550 293 HD12 LEU 40 2HD1 LEU 40 13.078 0.956 10.226 294 HD13 LEU 40 3HD1 LEU 40 12.234 1.430 11.727 295 HD21 LEU 40 3HD2 LEU 40 11.759 1.212 7.946 296 HD22 LEU 40 1HD2 LEU 40 11.584 2.915 8.420 297 HD23 LEU 40 2HD2 LEU 40 10.149 1.972 8.021 298 H LEU 41 H LEU 41 8.009 -1.527 7.716 299 HA LEU 41 HA LEU 41 7.273 -3.848 9.073 300 HB2 LEU 41 1HB LEU 41 6.848 -4.891 6.964 301 HB3 LEU 41 2HB LEU 41 6.354 -3.211 6.952 302 HG LEU 41 HG LEU 41 8.797 -2.879 5.822 303 HD11 LEU 41 1HD1 LEU 41 9.279 -4.760 4.294 304 HD12 LEU 41 2HD1 LEU 41 7.946 -5.696 4.993 305 HD13 LEU 41 3HD1 LEU 41 9.372 -5.338 5.968 306 HD21 LEU 41 3HD2 LEU 41 6.258 -3.873 4.478 307 HD22 LEU 41 1HD2 LEU 41 7.608 -3.079 3.627 308 HD23 LEU 41 2HD2 LEU 41 6.659 -2.202 4.853 309 HA PRO 42 HA PRO 42 11.099 -5.844 9.881 310 HB2 PRO 42 1HB PRO 42 10.331 -8.341 10.515 311 HB3 PRO 42 2HB PRO 42 9.882 -6.909 11.491 312 HG2 PRO 42 1HG PRO 42 8.194 -8.273 9.340 313 HG3 PRO 42 2HG PRO 42 7.709 -7.874 11.018 314 HD2 PRO 42 1HD PRO 42 7.176 -6.238 8.908 315 HD3 PRO 42 2HD PRO 42 7.594 -5.569 10.517 316 H LEU 43 H LEU 43 12.442 -5.995 8.212 317 HA LEU 43 HA LEU 43 12.004 -7.845 5.951 318 HB2 LEU 43 1HB LEU 43 14.347 -6.044 6.761 319 HB3 LEU 43 2HB LEU 43 14.392 -7.126 5.363 320 HG LEU 43 HG LEU 43 12.617 -4.716 5.788 321 HD11 LEU 43 1HD1 LEU 43 14.945 -4.293 5.046 322 HD12 LEU 43 2HD1 LEU 43 13.812 -3.955 3.716 323 HD13 LEU 43 3HD1 LEU 43 14.745 -5.453 3.717 324 HD21 LEU 43 3HD2 LEU 43 12.482 -6.740 3.547 325 HD22 LEU 43 1HD2 LEU 43 11.740 -5.126 3.486 326 HD23 LEU 43 2HD2 LEU 43 11.183 -6.311 4.662 327 H ASN 44 H ASN 44 13.261 -9.681 5.432 328 HA ASN 44 HA ASN 44 14.520 -10.999 7.799 329 HB2 ASN 44 1HB ASN 44 12.666 -12.272 6.836 330 HB3 ASN 44 2HB ASN 44 13.415 -12.191 5.252 331 HD21 ASN 44 1HD2 ASN 44 13.191 -14.641 5.569 332 HD22 ASN 44 2HD2 ASN 44 14.523 -15.490 6.338 333 H GLU 45 H GLU 45 16.651 -10.523 7.781 334 HA GLU 45 HA GLU 45 18.106 -9.737 5.512 335 HB2 GLU 45 1HB GLU 45 19.995 -9.653 6.854 336 HB3 GLU 45 2HB GLU 45 18.635 -9.194 7.863 337 HG2 GLU 45 1HG GLU 45 18.745 -11.212 9.127 338 HG3 GLU 45 2HG GLU 45 19.791 -12.010 7.931 339 H SER 46 H SER 46 17.199 -12.963 6.235 340 HA SER 46 HA SER 46 19.525 -14.141 4.797 341 HB2 SER 46 1HB SER 46 17.117 -15.380 6.191 342 HB3 SER 46 2HB SER 46 18.484 -16.264 5.503 343 HG SER 46 HG SER 46 19.652 -15.803 7.158 344 H GLU 47 H GLU 47 16.355 -12.944 4.182 345 HA GLU 47 HA GLU 47 15.759 -14.684 1.893 346 HB2 GLU 47 1HB GLU 47 14.318 -13.703 3.898 347 HB3 GLU 47 2HB GLU 47 14.093 -12.330 2.845 348 HG2 GLU 47 1HG GLU 47 12.909 -13.719 1.260 349 HG3 GLU 47 2HG GLU 47 13.476 -15.204 2.039 350 H LEU 48 H LEU 48 17.770 -12.178 2.303 351 HA LEU 48 HA LEU 48 17.015 -10.642 -0.129 352 HB2 LEU 48 1HB LEU 48 19.229 -9.918 1.790 353 HB3 LEU 48 2HB LEU 48 18.450 -8.927 0.569 354 HG LEU 48 HG LEU 48 17.470 -9.681 3.309 355 HD11 LEU 48 1HD1 LEU 48 17.085 -7.290 3.503 356 HD12 LEU 48 2HD1 LEU 48 17.464 -7.049 1.775 357 HD13 LEU 48 3HD1 LEU 48 18.729 -7.571 2.907 358 HD21 LEU 48 3HD2 LEU 48 15.253 -8.545 2.697 359 HD22 LEU 48 1HD2 LEU 48 15.448 -10.195 2.170 360 HD23 LEU 48 2HD2 LEU 48 15.676 -8.880 0.995 361 H GLU 49 H GLU 49 18.899 -9.991 -1.556 362 HA GLU 49 HA GLU 49 20.970 -12.118 -1.814 363 HB2 GLU 49 1HB GLU 49 19.237 -11.006 -4.056 364 HB3 GLU 49 2HB GLU 49 20.575 -12.135 -4.251 365 HG2 GLU 49 1HG GLU 49 18.003 -12.634 -2.705 366 HG3 GLU 49 2HG GLU 49 18.363 -13.232 -4.329 367 H GLU 50 H GLU 50 22.606 -10.923 -1.219 368 HA GLU 50 HA GLU 50 22.919 -8.097 -2.088 369 HB2 GLU 50 1HB GLU 50 24.919 -8.062 -0.652 370 HB3 GLU 50 2HB GLU 50 23.402 -8.393 0.158 371 HG2 GLU 50 1HG GLU 50 24.972 -10.824 -0.638 372 HG3 GLU 50 2HG GLU 50 25.680 -9.773 0.581 373 H GLN 51 H GLN 51 25.103 -7.329 -2.867 374 HA GLN 51 HA GLN 51 26.437 -9.304 -4.657 375 HB2 GLN 51 1HB GLN 51 25.558 -6.495 -5.344 376 HB3 GLN 51 2HB GLN 51 26.595 -7.477 -6.349 377 HG2 GLN 51 1HG GLN 51 24.851 -9.009 -6.895 378 HG3 GLN 51 2HG GLN 51 23.785 -8.391 -5.629 379 HE21 GLN 51 1HE2 GLN 51 22.404 -6.670 -6.121 380 HE22 GLN 51 2HE2 GLN 51 22.462 -5.811 -7.666 381 H PHE 52 H PHE 52 28.513 -9.270 -4.271 382 HA PHE 52 HA PHE 52 29.716 -7.189 -2.554 383 HB2 PHE 52 1HB PHE 52 31.013 -9.620 -3.807 384 HB3 PHE 52 2HB PHE 52 31.696 -8.599 -2.550 385 HD1 PHE 52 1HD PHE 52 29.208 -11.246 -3.333 386 HD2 PHE 52 2HD PHE 52 31.038 -8.869 -0.224 387 HE1 PHE 52 1HE PHE 52 28.428 -12.870 -1.638 388 HE2 PHE 52 2HE PHE 52 30.315 -10.542 1.466 389 HZ PHE 52 HZ PHE 52 29.027 -12.556 0.738 390 H VAL 53 H VAL 53 29.998 -5.398 -3.766 391 HA VAL 53 HA VAL 53 31.305 -5.572 -6.429 392 HB VAL 53 HB VAL 53 30.142 -3.145 -5.008 393 HG11 VAL 53 1HG1 VAL 53 30.234 -2.086 -7.245 394 HG12 VAL 53 2HG1 VAL 53 31.854 -2.462 -6.681 395 HG13 VAL 53 3HG1 VAL 53 31.082 -3.501 -7.899 396 HG21 VAL 53 3HG2 VAL 53 29.094 -4.986 -7.217 397 HG22 VAL 53 1HG2 VAL 53 28.389 -4.758 -5.603 398 HG23 VAL 53 2HG2 VAL 53 28.360 -3.439 -6.781 399 H LYS 54 H LYS 54 33.279 -4.235 -6.853 400 HA LYS 54 HA LYS 54 34.978 -3.434 -4.705 401 HB2 LYS 54 1HB LYS 54 36.747 -5.208 -5.362 402 HB3 LYS 54 2HB LYS 54 35.515 -5.529 -4.161 403 HG2 LYS 54 1HG LYS 54 34.183 -6.711 -6.105 404 HG3 LYS 54 2HG LYS 54 35.723 -6.675 -6.970 405 HD2 LYS 54 1HD LYS 54 36.770 -7.966 -5.233 406 HD3 LYS 54 2HD LYS 54 35.416 -7.717 -4.120 407 HE2 LYS 54 1HE LYS 54 35.100 -9.193 -6.772 408 HE3 LYS 54 2HE LYS 54 35.578 -10.019 -5.287 409 HZ1 LYS 54 3HZ LYS 54 33.198 -10.144 -5.643 410 HZ2 LYS 54 1HZ LYS 54 33.028 -8.519 -5.603 411 HZ3 LYS 54 2HZ LYS 54 33.524 -9.317 -4.265 412 H GLY 55 H GLY 55 36.282 -1.877 -5.698 413 HA2 GLY 55 1HA GLY 55 37.191 -0.588 -7.351 414 HA3 GLY 55 2HA GLY 55 37.551 -2.115 -8.179 415 H HIS 56 H HIS 56 37.006 -1.635 -10.268 416 HA HIS 56 HA HIS 56 34.216 -1.035 -10.991 417 HB2 HIS 56 1HB HIS 56 36.739 0.429 -11.910 418 HB3 HIS 56 2HB HIS 56 35.342 0.277 -12.951 419 HD1 HIS 56 1HD HIS 56 34.222 2.535 -13.045 420 HD2 HIS 56 2HD HIS 56 35.606 1.515 -9.199 421 HE1 HIS 56 1HE HIS 56 33.585 4.463 -11.499 422 H GLY 57 H GLY 57 33.807 -1.934 -13.161 423 HA2 GLY 57 1HA GLY 57 35.383 -4.341 -13.690 424 HA3 GLY 57 2HA GLY 57 33.885 -3.830 -14.500 425 HA PRO 58 HA PRO 58 37.663 -2.755 -17.151 426 HB2 PRO 58 1HB PRO 58 37.632 -4.699 -19.051 427 HB3 PRO 58 2HB PRO 58 38.367 -4.954 -17.444 428 HG2 PRO 58 1HG PRO 58 35.590 -5.774 -18.360 429 HG3 PRO 58 2HG PRO 58 36.813 -6.767 -17.512 430 HD2 PRO 58 1HD PRO 58 34.771 -5.478 -16.201 431 HD3 PRO 58 2HD PRO 58 36.382 -5.717 -15.456 432 H GLY 59 H GLY 59 36.104 -0.973 -17.402 433 HA2 GLY 59 1HA GLY 59 34.759 -0.984 -20.056 434 HA3 GLY 59 2HA GLY 59 33.880 -0.447 -18.608 435 H GLY 60 H GLY 60 36.523 0.261 -20.832 436 HA2 GLY 60 1HA GLY 60 37.462 2.321 -21.365 437 HA3 GLY 60 2HA GLY 60 36.418 3.094 -20.147 438 H GLN 61 H GLN 61 38.253 4.337 -19.346 439 HA GLN 61 HA GLN 61 39.997 2.853 -17.499 440 HB2 GLN 61 1HB GLN 61 40.931 4.968 -19.497 441 HB3 GLN 61 2HB GLN 61 41.892 4.325 -18.162 442 HG2 GLN 61 1HG GLN 61 41.740 2.044 -19.171 443 HG3 GLN 61 2HG GLN 61 40.864 2.727 -20.549 444 HE21 GLN 61 1HE2 GLN 61 43.881 1.621 -19.825 445 HE22 GLN 61 2HE2 GLN 61 44.787 2.739 -20.841 446 H ALA 62 H ALA 62 40.109 3.983 -15.533 447 HA ALA 62 HA ALA 62 39.462 6.788 -15.327 448 HB1 ALA 62 1HB ALA 62 37.602 4.677 -14.111 449 HB2 ALA 62 2HB ALA 62 37.520 6.425 -13.808 450 HB3 ALA 62 3HB ALA 62 37.170 5.793 -15.426 451 H THR 63 H THR 63 39.451 7.234 -12.749 452 HA THR 63 HA THR 63 41.856 5.966 -11.725 453 HB THR 63 HB THR 63 40.022 7.958 -10.329 454 HG1 THR 63 1HG THR 63 42.100 8.499 -12.187 455 HG21 THR 63 3HG2 THR 63 41.838 7.001 -8.942 456 HG22 THR 63 1HG2 THR 63 42.123 8.717 -9.274 457 HG23 THR 63 2HG2 THR 63 43.041 7.478 -10.158 458 H ASN 64 H ASN 64 41.215 3.782 -11.479 459 HA ASN 64 HA ASN 64 38.915 2.769 -10.247 460 HB2 ASN 64 1HB ASN 64 41.742 1.633 -10.295 461 HB3 ASN 64 2HB ASN 64 40.324 0.738 -9.752 462 HD21 ASN 64 1HD2 ASN 64 38.983 -0.292 -11.378 463 HD22 ASN 64 2HD2 ASN 64 39.340 -0.049 -13.079 464 H LYS 65 H LYS 65 38.179 3.438 -8.273 465 HA LYS 65 HA LYS 65 40.004 4.257 -6.158 466 HB2 LYS 65 1HB LYS 65 36.988 3.749 -6.213 467 HB3 LYS 65 2HB LYS 65 37.854 4.339 -4.801 468 HG2 LYS 65 1HG LYS 65 37.705 5.834 -7.444 469 HG3 LYS 65 2HG LYS 65 36.698 6.108 -6.025 470 HD2 LYS 65 1HD LYS 65 39.239 6.248 -4.914 471 HD3 LYS 65 2HD LYS 65 39.524 6.924 -6.521 472 HE2 LYS 65 1HE LYS 65 37.382 7.786 -4.518 473 HE3 LYS 65 2HE LYS 65 38.904 8.634 -4.761 474 HZ1 LYS 65 3HZ LYS 65 36.821 9.459 -5.923 475 HZ2 LYS 65 1HZ LYS 65 36.981 8.221 -6.952 476 HZ3 LYS 65 2HZ LYS 65 38.187 9.355 -6.866 477 H THR 66 H THR 66 39.830 3.319 -3.954 478 HA THR 66 HA THR 66 39.644 0.357 -3.980 479 HB THR 66 HB THR 66 41.931 1.307 -4.033 480 HG1 THR 66 1HG THR 66 42.694 -0.131 -2.603 481 HG21 THR 66 3HG2 THR 66 41.359 2.265 -1.202 482 HG22 THR 66 1HG2 THR 66 41.601 3.313 -2.618 483 HG23 THR 66 2HG2 THR 66 42.924 2.285 -2.036 484 H SER 67 H SER 67 37.680 2.688 -3.258 485 HA SER 67 HA SER 67 37.226 2.440 -0.426 486 HB2 SER 67 1HB SER 67 34.994 3.586 -1.366 487 HB3 SER 67 2HB SER 67 36.506 4.478 -1.189 488 HG SER 67 HG SER 67 35.801 4.935 -3.208 489 H ASN 68 H ASN 68 35.197 1.535 0.414 490 HA ASN 68 HA ASN 68 34.704 -1.105 -0.792 491 HB2 ASN 68 1HB ASN 68 33.770 0.208 1.798 492 HB3 ASN 68 2HB ASN 68 33.294 -1.400 1.278 493 HD21 ASN 68 1HD2 ASN 68 36.153 0.578 2.170 494 HD22 ASN 68 2HD2 ASN 68 37.191 -0.829 2.451 495 H CYS 69 H CYS 69 32.531 -1.889 -1.297 496 HA CYS 69 HA CYS 69 30.392 0.075 -1.545 497 HB2 CYS 69 1HB CYS 69 30.229 -0.549 -4.076 498 HB3 CYS 69 2HB CYS 69 31.352 0.711 -3.534 499 HG CYS 69 HG CYS 69 32.625 -0.475 -5.369 500 H VAL 70 H VAL 70 28.716 -1.004 -0.715 501 HA VAL 70 HA VAL 70 28.342 -3.904 -1.305 502 HB VAL 70 HB VAL 70 27.319 -2.212 1.030 503 HG11 VAL 70 1HG1 VAL 70 25.760 -4.061 0.478 504 HG12 VAL 70 2HG1 VAL 70 27.106 -5.223 0.505 505 HG13 VAL 70 3HG1 VAL 70 26.606 -4.398 1.990 506 HG21 VAL 70 3HG2 VAL 70 29.731 -2.620 1.302 507 HG22 VAL 70 1HG2 VAL 70 28.847 -3.706 2.393 508 HG23 VAL 70 2HG2 VAL 70 29.520 -4.332 0.880 509 H VAL 71 H VAL 71 26.381 -4.450 -2.363 510 HA VAL 71 HA VAL 71 24.489 -2.226 -2.914 511 HB VAL 71 HB VAL 71 25.364 -4.328 -4.921 512 HG11 VAL 71 1HG1 VAL 71 24.105 -2.895 -6.506 513 HG12 VAL 71 2HG1 VAL 71 23.055 -3.507 -5.227 514 HG13 VAL 71 3HG1 VAL 71 23.625 -1.825 -5.171 515 HG21 VAL 71 3HG2 VAL 71 26.246 -1.437 -4.578 516 HG22 VAL 71 1HG2 VAL 71 27.255 -2.876 -4.651 517 HG23 VAL 71 2HG2 VAL 71 26.406 -2.331 -6.105 518 H LEU 72 H LEU 72 22.525 -2.736 -2.245 519 HA LEU 72 HA LEU 72 21.894 -5.573 -1.605 520 HB2 LEU 72 1HB LEU 72 22.249 -3.800 0.283 521 HB3 LEU 72 2HB LEU 72 20.696 -3.146 -0.257 522 HG LEU 72 HG LEU 72 19.752 -5.516 0.128 523 HD11 LEU 72 1HD1 LEU 72 21.020 -6.974 1.678 524 HD12 LEU 72 2HD1 LEU 72 22.386 -5.837 1.683 525 HD13 LEU 72 3HD1 LEU 72 21.963 -6.728 0.217 526 HD21 LEU 72 3HD2 LEU 72 19.533 -3.558 1.711 527 HD22 LEU 72 1HD2 LEU 72 20.949 -4.185 2.575 528 HD23 LEU 72 2HD2 LEU 72 19.462 -5.155 2.473 529 H LYS 73 H LYS 73 19.935 -6.312 -2.264 530 HA LYS 73 HA LYS 73 18.128 -4.596 -3.850 531 HB2 LYS 73 1HB LYS 73 19.682 -5.530 -5.440 532 HB3 LYS 73 2HB LYS 73 19.554 -7.136 -4.743 533 HG2 LYS 73 1HG LYS 73 17.015 -5.959 -5.813 534 HG3 LYS 73 2HG LYS 73 18.273 -6.364 -6.989 535 HD2 LYS 73 1HD LYS 73 18.320 -8.673 -6.349 536 HD3 LYS 73 2HD LYS 73 17.335 -8.367 -4.915 537 HE2 LYS 73 1HE LYS 73 15.893 -9.333 -6.522 538 HE3 LYS 73 2HE LYS 73 15.450 -7.622 -6.372 539 HZ1 LYS 73 3HZ LYS 73 17.048 -8.775 -8.567 540 HZ2 LYS 73 1HZ LYS 73 16.474 -7.193 -8.449 541 HZ3 LYS 73 2HZ LYS 73 15.425 -8.431 -8.580 542 H HIS 74 H HIS 74 16.000 -5.191 -3.685 543 HA HIS 74 HA HIS 74 15.366 -7.486 -1.853 544 HB2 HIS 74 1HB HIS 74 14.544 -4.924 -1.533 545 HB3 HIS 74 2HB HIS 74 13.293 -5.453 -2.643 546 HD1 HIS 74 1HD HIS 74 11.238 -6.679 -1.309 547 HD2 HIS 74 2HD HIS 74 14.983 -6.701 0.647 548 HE1 HIS 74 1HE HIS 74 10.892 -7.857 0.886 549 H VAL 75 H VAL 75 14.500 -9.292 -2.855 550 HA VAL 75 HA VAL 75 14.137 -9.352 -5.693 551 HB VAL 75 HB VAL 75 13.578 -11.389 -3.526 552 HG11 VAL 75 1HG1 VAL 75 13.456 -13.037 -5.394 553 HG12 VAL 75 2HG1 VAL 75 12.094 -11.914 -5.390 554 HG13 VAL 75 3HG1 VAL 75 13.419 -11.692 -6.555 555 HG21 VAL 75 3HG2 VAL 75 15.970 -10.809 -3.883 556 HG22 VAL 75 1HG2 VAL 75 15.590 -12.462 -4.364 557 HG23 VAL 75 2HG2 VAL 75 15.788 -11.216 -5.609 558 HA PRO 76 HA PRO 76 9.461 -9.691 -5.139 559 HB2 PRO 76 1HB PRO 76 8.217 -9.242 -2.749 560 HB3 PRO 76 2HB PRO 76 8.917 -10.823 -3.203 561 HG2 PRO 76 1HG PRO 76 10.311 -8.584 -1.687 562 HG3 PRO 76 2HG PRO 76 10.033 -10.269 -1.093 563 HD2 PRO 76 1HD PRO 76 12.323 -9.647 -2.238 564 HD3 PRO 76 2HD PRO 76 11.481 -11.122 -2.814 565 H SER 77 H SER 77 11.273 -7.067 -3.863 566 HA SER 77 HA SER 77 9.054 -5.151 -4.517 567 HB2 SER 77 1HB SER 77 10.168 -5.276 -2.135 568 HB3 SER 77 2HB SER 77 11.476 -4.379 -2.911 569 HG SER 77 HG SER 77 9.390 -3.067 -3.624 570 H GLY 78 H GLY 78 12.064 -6.376 -5.597 571 HA2 GLY 78 1HA GLY 78 13.441 -5.889 -7.309 572 HA3 GLY 78 2HA GLY 78 12.185 -4.824 -7.932 573 H ILE 79 H ILE 79 13.011 -3.610 -4.913 574 HA ILE 79 HA ILE 79 14.343 -1.297 -5.975 575 HB ILE 79 HB ILE 79 14.095 -2.193 -3.083 576 HG12 ILE 79 1HG1 ILE 79 12.118 -0.645 -4.812 577 HG13 ILE 79 2HG1 ILE 79 11.892 -2.219 -4.046 578 HG21 ILE 79 1HG2 ILE 79 14.305 0.197 -2.533 579 HG22 ILE 79 2HG2 ILE 79 15.709 -0.318 -3.428 580 HG23 ILE 79 3HG2 ILE 79 14.438 0.610 -4.251 581 HD11 ILE 79 3HD1 ILE 79 11.996 0.447 -2.695 582 HD12 ILE 79 1HD1 ILE 79 10.717 -0.773 -2.693 583 HD13 ILE 79 2HD1 ILE 79 12.223 -1.079 -1.806 584 H VAL 80 H VAL 80 16.516 -0.682 -5.863 585 HA VAL 80 HA VAL 80 18.473 -2.574 -4.717 586 HB VAL 80 HB VAL 80 18.755 -1.243 -7.450 587 HG11 VAL 80 1HG1 VAL 80 20.680 -2.805 -7.687 588 HG12 VAL 80 2HG1 VAL 80 20.905 -1.692 -6.343 589 HG13 VAL 80 3HG1 VAL 80 20.424 -3.370 -6.021 590 HG21 VAL 80 3HG2 VAL 80 17.061 -2.894 -7.774 591 HG22 VAL 80 1HG2 VAL 80 18.563 -3.611 -8.355 592 HG23 VAL 80 2HG2 VAL 80 17.919 -4.065 -6.762 593 H VAL 81 H VAL 81 20.128 -1.469 -3.653 594 HA VAL 81 HA VAL 81 20.489 1.408 -4.185 595 HB VAL 81 HB VAL 81 18.651 1.255 -2.533 596 HG11 VAL 81 1HG1 VAL 81 19.522 -0.712 -1.214 597 HG12 VAL 81 2HG1 VAL 81 20.694 0.405 -0.463 598 HG13 VAL 81 3HG1 VAL 81 18.933 0.681 -0.289 599 HG21 VAL 81 3HG2 VAL 81 19.973 3.285 -2.700 600 HG22 VAL 81 1HG2 VAL 81 19.453 2.998 -1.034 601 HG23 VAL 81 2HG2 VAL 81 21.133 2.665 -1.500 602 H LYS 82 H LYS 82 22.527 2.230 -3.547 603 HA LYS 82 HA LYS 82 24.501 0.192 -2.625 604 HB2 LYS 82 1HB LYS 82 26.101 1.278 -4.271 605 HB3 LYS 82 2HB LYS 82 24.876 0.186 -4.920 606 HG2 LYS 82 1HG LYS 82 23.631 1.842 -5.922 607 HG3 LYS 82 2HG LYS 82 24.341 3.143 -4.950 608 HD2 LYS 82 1HD LYS 82 26.503 2.858 -6.079 609 HD3 LYS 82 2HD LYS 82 25.803 1.591 -7.119 610 HE2 LYS 82 1HE LYS 82 24.271 3.149 -8.143 611 HE3 LYS 82 2HE LYS 82 24.562 4.361 -6.894 612 HZ1 LYS 82 3HZ LYS 82 26.581 3.550 -8.887 613 HZ2 LYS 82 1HZ LYS 82 26.746 4.710 -7.707 614 HZ3 LYS 82 2HZ LYS 82 25.659 4.913 -8.920 615 H CYS 83 H CYS 83 25.081 0.888 -0.677 616 HA CYS 83 HA CYS 83 25.762 3.783 -0.315 617 HB2 CYS 83 1HB CYS 83 24.425 1.762 1.531 618 HB3 CYS 83 2HB CYS 83 25.193 3.250 2.134 619 HG CYS 83 HG CYS 83 22.671 3.732 2.003 620 H HIS 84 H HIS 84 27.554 4.244 1.009 621 HA HIS 84 HA HIS 84 29.301 2.132 1.988 622 HB2 HIS 84 1HB HIS 84 31.219 3.256 0.527 623 HB3 HIS 84 2HB HIS 84 30.272 1.884 -0.016 624 HD1 HIS 84 1HD HIS 84 29.495 2.105 -2.457 625 HD2 HIS 84 2HD HIS 84 29.719 5.775 -0.398 626 HE1 HIS 84 1HE HIS 84 28.965 3.918 -4.158 627 H GLN 85 H GLN 85 29.292 3.038 3.998 628 HA GLN 85 HA GLN 85 30.078 5.937 4.241 629 HB2 GLN 85 1HB GLN 85 27.699 5.062 4.949 630 HB3 GLN 85 2HB GLN 85 28.607 4.366 6.304 631 HG2 GLN 85 1HG GLN 85 29.489 6.759 6.729 632 HG3 GLN 85 2HG GLN 85 28.269 7.279 5.585 633 HE21 GLN 85 1HE2 GLN 85 28.920 6.237 8.757 634 HE22 GLN 85 2HE2 GLN 85 27.275 6.478 9.366 635 H THR 86 H THR 86 30.965 2.678 4.963 636 HA THR 86 HA THR 86 33.081 3.612 6.836 637 HB THR 86 HB THR 86 32.629 1.613 8.220 638 HG1 THR 86 1HG THR 86 30.516 1.266 6.354 639 HG21 THR 86 3HG2 THR 86 30.078 3.275 7.893 640 HG22 THR 86 1HG2 THR 86 31.506 3.760 8.825 641 HG23 THR 86 2HG2 THR 86 30.580 2.323 9.301 642 H ARG 87 H ARG 87 34.556 1.453 7.208 643 HA ARG 87 HA ARG 87 35.300 0.549 4.479 644 HB2 ARG 87 1HB ARG 87 36.765 2.101 6.109 645 HB3 ARG 87 2HB ARG 87 37.260 0.533 6.740 646 HG2 ARG 87 1HG ARG 87 37.929 -0.136 4.408 647 HG3 ARG 87 2HG ARG 87 37.321 1.398 3.807 648 HD2 ARG 87 1HD ARG 87 39.790 1.329 4.018 649 HD3 ARG 87 2HD ARG 87 38.985 2.655 4.863 650 HE ARG 87 HE ARG 87 39.666 0.169 6.349 651 HH11 ARG 87 1HH1 ARG 87 40.611 3.506 5.651 652 HH12 ARG 87 2HH1 ARG 87 41.038 3.901 7.291 653 HH21 ARG 87 1HH2 ARG 87 40.472 0.603 8.448 654 HH22 ARG 87 2HH2 ARG 87 41.405 2.022 8.790 655 H SER 88 H SER 88 33.353 -0.762 6.488 656 HA SER 88 HA SER 88 34.653 -3.442 6.509 657 HB2 SER 88 1HB SER 88 34.073 -2.092 8.816 658 HB3 SER 88 2HB SER 88 32.484 -2.721 8.456 659 HG SER 88 HG SER 88 33.498 -4.252 9.679 660 H VAL 89 H VAL 89 33.432 -4.947 5.379 661 HA VAL 89 HA VAL 89 31.165 -4.203 3.891 662 HB VAL 89 HB VAL 89 32.582 -6.034 3.217 663 HG11 VAL 89 1HG1 VAL 89 33.212 -6.962 5.440 664 HG12 VAL 89 2HG1 VAL 89 31.608 -7.731 5.534 665 HG13 VAL 89 3HG1 VAL 89 32.742 -8.163 4.249 666 HG21 VAL 89 3HG2 VAL 89 29.814 -7.130 3.811 667 HG22 VAL 89 1HG2 VAL 89 30.245 -6.082 2.446 668 HG23 VAL 89 2HG2 VAL 89 30.949 -7.700 2.575 669 H ASP 90 H ASP 90 31.375 -6.045 6.978 670 HA ASP 90 HA ASP 90 28.629 -6.404 7.332 671 HB2 ASP 90 1HB ASP 90 30.794 -6.237 9.435 672 HB3 ASP 90 2HB ASP 90 29.180 -6.928 9.656 673 H GLN 91 H GLN 91 30.466 -3.428 7.939 674 HA GLN 91 HA GLN 91 28.351 -2.283 9.601 675 HB2 GLN 91 1HB GLN 91 30.950 -1.268 8.387 676 HB3 GLN 91 2HB GLN 91 29.862 -0.276 9.302 677 HG2 GLN 91 1HG GLN 91 31.173 -2.772 10.442 678 HG3 GLN 91 2HG GLN 91 31.861 -1.152 10.556 679 HE21 GLN 91 1HE2 GLN 91 31.608 -0.396 12.644 680 HE22 GLN 91 2HE2 GLN 91 30.180 -0.663 13.621 681 H ASN 92 H ASN 92 29.742 -2.023 6.292 682 HA ASN 92 HA ASN 92 27.874 -0.049 5.368 683 HB2 ASN 92 1HB ASN 92 29.611 -2.082 3.930 684 HB3 ASN 92 2HB ASN 92 28.557 -0.958 3.069 685 HD21 ASN 92 1HD2 ASN 92 31.673 -1.241 3.447 686 HD22 ASN 92 2HD2 ASN 92 32.127 0.434 3.739 687 H ARG 93 H ARG 93 27.667 -3.530 5.786 688 HA ARG 93 HA ARG 93 25.397 -4.178 4.190 689 HB2 ARG 93 1HB ARG 93 26.700 -5.312 6.680 690 HB3 ARG 93 2HB ARG 93 25.080 -5.821 6.256 691 HG2 ARG 93 1HG ARG 93 25.867 -6.598 4.087 692 HG3 ARG 93 2HG ARG 93 27.541 -6.284 4.556 693 HD2 ARG 93 1HD ARG 93 27.483 -7.916 6.299 694 HD3 ARG 93 2HD ARG 93 25.722 -7.854 6.397 695 HE ARG 93 HE ARG 93 26.707 -8.889 3.873 696 HH11 ARG 93 1HH1 ARG 93 25.706 -9.671 7.193 697 HH12 ARG 93 2HH1 ARG 93 25.463 -11.347 6.897 698 HH21 ARG 93 1HH2 ARG 93 26.084 -11.039 3.394 699 HH22 ARG 93 2HH2 ARG 93 25.451 -12.112 4.587 700 H LYS 94 H LYS 94 25.582 -3.475 7.766 701 HA LYS 94 HA LYS 94 22.795 -3.432 8.048 702 HB2 LYS 94 1HB LYS 94 23.079 -2.320 10.171 703 HB3 LYS 94 2HB LYS 94 24.190 -3.668 9.984 704 HG2 LYS 94 1HG LYS 94 26.057 -2.174 9.620 705 HG3 LYS 94 2HG LYS 94 24.985 -0.760 9.527 706 HD2 LYS 94 1HD LYS 94 25.897 -0.627 11.674 707 HD3 LYS 94 2HD LYS 94 24.289 -1.340 11.930 708 HE2 LYS 94 1HE LYS 94 25.446 -3.620 11.831 709 HE3 LYS 94 2HE LYS 94 26.980 -2.754 11.884 710 HZ1 LYS 94 3HZ LYS 94 26.438 -3.272 14.087 711 HZ2 LYS 94 1HZ LYS 94 24.854 -2.845 13.908 712 HZ3 LYS 94 2HZ LYS 94 26.052 -1.692 13.985 713 H ILE 95 H ILE 95 24.925 -0.803 7.071 714 HA ILE 95 HA ILE 95 22.984 1.294 7.183 715 HB ILE 95 HB ILE 95 25.536 0.846 5.592 716 HG12 ILE 95 1HG1 ILE 95 24.849 2.670 7.936 717 HG13 ILE 95 2HG1 ILE 95 25.622 1.087 8.094 718 HG21 ILE 95 1HG2 ILE 95 24.207 2.382 4.234 719 HG22 ILE 95 2HG2 ILE 95 23.857 3.383 5.649 720 HG23 ILE 95 3HG2 ILE 95 25.511 3.269 5.006 721 HD11 ILE 95 3HD1 ILE 95 26.738 3.595 6.934 722 HD12 ILE 95 1HD1 ILE 95 27.386 2.592 8.242 723 HD13 ILE 95 2HD1 ILE 95 27.482 2.005 6.571 724 H ALA 96 H ALA 96 24.019 -0.871 4.487 725 HA ALA 96 HA ALA 96 22.196 0.184 2.597 726 HB1 ALA 96 1HB ALA 96 24.198 -1.218 2.061 727 HB2 ALA 96 2HB ALA 96 23.359 -2.638 2.728 728 HB3 ALA 96 3HB ALA 96 22.707 -1.808 1.295 729 H ARG 97 H ARG 97 21.847 -2.529 4.938 730 HA ARG 97 HA ARG 97 19.226 -3.335 4.095 731 HB2 ARG 97 1HB ARG 97 21.011 -3.860 6.397 732 HB3 ARG 97 2HB ARG 97 19.315 -3.757 6.873 733 HG2 ARG 97 1HG ARG 97 18.687 -5.457 5.207 734 HG3 ARG 97 2HG ARG 97 20.368 -5.536 4.638 735 HD2 ARG 97 1HD ARG 97 19.927 -7.394 6.118 736 HD3 ARG 97 2HD ARG 97 21.116 -6.296 6.825 737 HE ARG 97 HE ARG 97 18.347 -5.801 7.696 738 HH11 ARG 97 1HH1 ARG 97 21.339 -7.636 8.340 739 HH12 ARG 97 2HH1 ARG 97 20.801 -8.217 9.864 740 HH21 ARG 97 1HH2 ARG 97 17.690 -6.526 9.827 741 HH22 ARG 97 2HH2 ARG 97 18.856 -7.329 10.819 742 H LYS 98 H LYS 98 20.258 -1.032 6.627 743 HA LYS 98 HA LYS 98 17.695 -0.309 7.460 744 HB2 LYS 98 1HB LYS 98 19.749 0.163 8.671 745 HB3 LYS 98 2HB LYS 98 20.291 1.301 7.445 746 HG2 LYS 98 1HG LYS 98 17.659 1.696 8.926 747 HG3 LYS 98 2HG LYS 98 19.201 2.113 9.660 748 HD2 LYS 98 1HD LYS 98 19.176 3.277 7.018 749 HD3 LYS 98 2HD LYS 98 17.650 3.670 7.797 750 HE2 LYS 98 1HE LYS 98 20.405 4.078 9.062 751 HE3 LYS 98 2HE LYS 98 19.517 5.328 8.172 752 HZ1 LYS 98 3HZ LYS 98 19.149 5.547 10.535 753 HZ2 LYS 98 1HZ LYS 98 18.552 4.015 10.641 754 HZ3 LYS 98 2HZ LYS 98 17.731 5.127 9.805 755 H VAL 99 H VAL 99 19.710 1.449 4.970 756 HA VAL 99 HA VAL 99 17.530 3.177 4.387 757 HB VAL 99 HB VAL 99 19.961 3.580 3.904 758 HG11 VAL 99 1HG1 VAL 99 20.888 2.904 1.786 759 HG12 VAL 99 2HG1 VAL 99 20.521 1.501 2.800 760 HG13 VAL 99 3HG1 VAL 99 19.471 1.925 1.429 761 HG21 VAL 99 3HG2 VAL 99 18.171 5.055 3.064 762 HG22 VAL 99 1HG2 VAL 99 19.505 4.953 1.902 763 HG23 VAL 99 2HG2 VAL 99 17.991 4.059 1.614 764 H LEU 100 H LEU 100 18.339 -0.053 3.047 765 HA LEU 100 HA LEU 100 16.503 0.118 0.857 766 HB2 LEU 100 1HB LEU 100 18.244 -1.621 0.953 767 HB3 LEU 100 2HB LEU 100 17.488 -2.317 2.391 768 HG LEU 100 HG LEU 100 15.461 -2.886 1.066 769 HD11 LEU 100 1HD1 LEU 100 17.074 -1.819 -1.304 770 HD12 LEU 100 2HD1 LEU 100 15.518 -1.189 -0.704 771 HD13 LEU 100 3HD1 LEU 100 15.599 -2.794 -1.428 772 HD21 LEU 100 3HD2 LEU 100 17.280 -4.528 1.312 773 HD22 LEU 100 1HD2 LEU 100 18.014 -3.929 -0.203 774 HD23 LEU 100 2HD2 LEU 100 16.426 -4.715 -0.216 775 H GLN 101 H GLN 101 16.147 -0.925 4.258 776 HA GLN 101 HA GLN 101 13.506 -1.883 4.104 777 HB2 GLN 101 1HB GLN 101 15.229 -2.130 5.932 778 HB3 GLN 101 2HB GLN 101 14.828 -0.502 6.481 779 HG2 GLN 101 1HG GLN 101 12.635 -1.170 7.148 780 HG3 GLN 101 2HG GLN 101 12.696 -2.636 6.198 781 HE21 GLN 101 1HE2 GLN 101 11.954 -3.449 8.493 782 HE22 GLN 101 2HE2 GLN 101 13.230 -3.832 9.642 783 H GLU 102 H GLU 102 14.725 1.451 4.687 784 HA GLU 102 HA GLU 102 12.220 2.681 5.129 785 HB2 GLU 102 1HB GLU 102 14.633 3.864 3.686 786 HB3 GLU 102 2HB GLU 102 13.379 4.776 4.489 787 HG2 GLU 102 1HG GLU 102 14.853 2.838 6.251 788 HG3 GLU 102 2HG GLU 102 15.827 4.124 5.547 789 H LYS 103 H LYS 103 13.686 1.564 2.155 790 HA LYS 103 HA LYS 103 11.836 3.052 0.400 791 HB2 LYS 103 1HB LYS 103 14.060 1.051 -0.236 792 HB3 LYS 103 2HB LYS 103 13.077 1.939 -1.421 793 HG2 LYS 103 1HG LYS 103 13.817 4.059 -0.431 794 HG3 LYS 103 2HG LYS 103 14.920 3.197 0.639 795 HD2 LYS 103 1HD LYS 103 16.116 2.294 -1.358 796 HD3 LYS 103 2HD LYS 103 15.025 3.210 -2.407 797 HE2 LYS 103 1HE LYS 103 16.952 4.333 -0.328 798 HE3 LYS 103 2HE LYS 103 17.116 4.447 -2.089 799 HZ1 LYS 103 3HZ LYS 103 16.156 6.521 -1.171 800 HZ2 LYS 103 1HZ LYS 103 14.947 5.706 -0.482 801 HZ3 LYS 103 2HZ LYS 103 15.045 5.759 -2.109 802 H VAL 104 H VAL 104 12.465 -0.373 1.352 803 HA VAL 104 HA VAL 104 10.407 -1.464 -0.363 804 HB VAL 104 HB VAL 104 11.719 -2.556 2.169 805 HG11 VAL 104 1HG1 VAL 104 9.928 -3.948 0.123 806 HG12 VAL 104 2HG1 VAL 104 10.898 -4.793 1.346 807 HG13 VAL 104 3HG1 VAL 104 9.585 -3.724 1.842 808 HG21 VAL 104 3HG2 VAL 104 12.199 -3.273 -0.760 809 HG22 VAL 104 1HG2 VAL 104 13.259 -2.228 0.197 810 HG23 VAL 104 2HG2 VAL 104 13.054 -3.920 0.659 811 H ASP 105 H ASP 105 10.487 -0.097 2.945 812 HA ASP 105 HA ASP 105 7.975 -0.805 3.860 813 HB2 ASP 105 1HB ASP 105 9.679 0.239 5.226 814 HB3 ASP 105 2HB ASP 105 9.615 1.720 4.239 815 H VAL 106 H VAL 106 8.756 2.363 2.316 816 HA VAL 106 HA VAL 106 6.055 3.042 1.901 817 HB VAL 106 HB VAL 106 7.811 4.648 1.943 818 HG11 VAL 106 1HG1 VAL 106 8.751 3.658 -0.766 819 HG12 VAL 106 2HG1 VAL 106 9.338 5.098 0.099 820 HG13 VAL 106 3HG1 VAL 106 9.621 3.503 0.781 821 HG21 VAL 106 3HG2 VAL 106 5.715 5.264 0.799 822 HG22 VAL 106 1HG2 VAL 106 7.116 6.138 0.150 823 HG23 VAL 106 2HG2 VAL 106 6.422 4.783 -0.757 824 H PHE 107 H PHE 107 8.141 0.996 -0.105 825 HA PHE 107 HA PHE 107 6.442 1.090 -2.444 826 HB2 PHE 107 1HB PHE 107 8.861 0.322 -2.256 827 HB3 PHE 107 2HB PHE 107 8.261 -1.205 -1.637 828 HD1 PHE 107 1HD PHE 107 6.789 -2.660 -3.172 829 HD2 PHE 107 2HD PHE 107 8.841 0.871 -4.573 830 HE1 PHE 107 1HE PHE 107 6.483 -3.398 -5.509 831 HE2 PHE 107 2HE PHE 107 8.490 0.140 -6.910 832 HZ PHE 107 HZ PHE 107 7.312 -1.992 -7.379 833 H TYR 108 H TYR 108 6.441 -0.900 0.496 834 HA TYR 108 HA TYR 108 4.339 -2.707 -0.474 835 HB2 TYR 108 1HB TYR 108 5.891 -2.334 2.106 836 HB3 TYR 108 2HB TYR 108 4.466 -3.339 2.054 837 HD1 TYR 108 1HD TYR 108 6.694 -3.417 -0.943 838 HD2 TYR 108 2HD TYR 108 5.751 -5.237 2.860 839 HE1 TYR 108 1HE TYR 108 7.936 -5.405 -1.595 840 HE2 TYR 108 2HE TYR 108 7.077 -7.211 2.238 841 HH TYR 108 HH TYR 108 8.119 -8.293 0.565 842 H ASN 109 H ASN 109 4.657 0.200 1.532 843 HA ASN 109 HA ASN 109 1.940 0.078 2.576 844 HB2 ASN 109 1HB ASN 109 3.925 2.383 2.507 845 HB3 ASN 109 2HB ASN 109 2.418 2.322 3.439 846 HD21 ASN 109 1HD2 ASN 109 5.306 2.492 4.450 847 HD22 ASN 109 2HD2 ASN 109 5.563 1.055 5.376 848 H SER 110 H SER 110 3.575 1.950 -0.024 849 HA SER 110 HA SER 110 1.136 3.289 -0.798 850 HB2 SER 110 1HB SER 110 3.582 4.117 -1.018 851 HB3 SER 110 2HB SER 110 3.671 3.074 -2.456 852 HG SER 110 HG SER 110 1.782 5.136 -1.892 853 H GLY 111 H GLY 111 0.660 3.152 -3.267 854 HA2 GLY 111 1HA GLY 111 0.109 0.293 -3.933 855 HA3 GLY 111 2HA GLY 111 -0.805 1.697 -4.482 856 HA PRO 112 HA PRO 112 1.825 1.218 -8.083 857 HB2 PRO 112 1HB PRO 112 1.140 3.429 -9.525 858 HB3 PRO 112 2HB PRO 112 0.041 2.051 -9.312 859 HG2 PRO 112 1HG PRO 112 0.093 4.654 -7.740 860 HG3 PRO 112 2HG PRO 112 -1.321 3.859 -8.476 861 HD2 PRO 112 1HD PRO 112 -0.689 3.540 -5.842 862 HD3 PRO 112 2HD PRO 112 -1.363 2.183 -6.800 863 H SER 113 H SER 113 4.043 1.532 -7.778 864 HA SER 113 HA SER 113 5.007 4.297 -7.643 865 HB2 SER 113 1HB SER 113 6.380 3.985 -5.760 866 HB3 SER 113 2HB SER 113 4.727 3.619 -5.309 867 HG SER 113 HG SER 113 5.539 1.287 -5.767 868 H SER 114 H SER 114 6.320 4.452 -9.329 869 HA SER 114 HA SER 114 7.105 2.194 -10.903 870 HB2 SER 114 1HB SER 114 8.432 3.881 -12.175 871 HB3 SER 114 2HB SER 114 6.727 4.306 -11.958 872 HG SER 114 HG SER 114 7.290 5.715 -10.310 873 H GLY 115 H GLY 115 9.050 1.128 -11.142 874 HA2 GLY 115 1HA GLY 115 11.550 1.807 -10.264 875 HA3 GLY 115 2HA GLY 115 10.785 0.974 -8.884 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -95.934 -55.056 36.685 2 HA2 GLY 1 1HA GLY 1 -97.658 -54.445 38.351 3 HA3 GLY 1 2HA GLY 1 -98.016 -56.193 38.488 4 H SER 2 H SER 2 -96.721 -54.093 40.508 5 HA SER 2 HA SER 2 -95.008 -54.033 41.982 6 HB2 SER 2 1HB SER 2 -96.104 -56.268 42.501 7 HB3 SER 2 2HB SER 2 -94.802 -57.046 41.577 8 HG SER 2 HG SER 2 -93.331 -56.212 43.012 9 H SER 3 H SER 3 -94.393 -53.280 39.410 10 HA SER 3 HA SER 3 -91.566 -54.011 39.039 11 HB2 SER 3 1HB SER 3 -92.162 -54.021 36.551 12 HB3 SER 3 2HB SER 3 -92.803 -55.390 37.472 13 HG SER 3 HG SER 3 -94.199 -53.024 36.765 14 H GLY 4 H GLY 4 -90.355 -52.193 38.202 15 HA2 GLY 4 1HA GLY 4 -91.623 -49.736 37.372 16 HA3 GLY 4 2HA GLY 4 -90.810 -49.677 38.958 17 H SER 5 H SER 5 -89.477 -48.066 37.344 18 HA SER 5 HA SER 5 -87.022 -49.448 36.712 19 HB2 SER 5 1HB SER 5 -88.477 -49.648 34.620 20 HB3 SER 5 2HB SER 5 -88.437 -47.876 34.513 21 HG SER 5 HG SER 5 -86.776 -48.968 33.289 22 H SER 6 H SER 6 -85.444 -47.575 35.868 23 HA SER 6 HA SER 6 -86.034 -44.891 36.681 24 HB2 SER 6 1HB SER 6 -84.281 -44.827 38.498 25 HB3 SER 6 2HB SER 6 -85.744 -45.719 38.928 26 HG SER 6 HG SER 6 -84.638 -47.646 38.449 27 H GLY 7 H GLY 7 -83.690 -43.657 36.629 28 HA2 GLY 7 1HA GLY 7 -81.594 -44.810 35.126 29 HA3 GLY 7 2HA GLY 7 -82.675 -43.878 34.060 30 H LYS 8 H LYS 8 -80.068 -42.901 34.406 31 HA LYS 8 HA LYS 8 -80.607 -40.333 35.603 32 HB2 LYS 8 1HB LYS 8 -78.831 -40.317 37.232 33 HB3 LYS 8 2HB LYS 8 -79.907 -41.653 37.621 34 HG2 LYS 8 1HG LYS 8 -78.317 -43.250 36.549 35 HG3 LYS 8 2HG LYS 8 -77.220 -41.921 36.169 36 HD2 LYS 8 1HD LYS 8 -78.043 -42.844 38.946 37 HD3 LYS 8 2HD LYS 8 -76.499 -43.157 38.164 38 HE2 LYS 8 1HE LYS 8 -77.580 -40.439 39.044 39 HE3 LYS 8 2HE LYS 8 -76.300 -41.371 39.821 40 HZ1 LYS 8 3HZ LYS 8 -76.150 -40.072 37.154 41 HZ2 LYS 8 1HZ LYS 8 -75.008 -41.106 37.742 42 HZ3 LYS 8 2HZ LYS 8 -75.326 -39.679 38.495 43 H TRP 9 H TRP 9 -78.649 -38.909 35.334 44 HA TRP 9 HA TRP 9 -76.809 -39.670 33.148 45 HB2 TRP 9 1HB TRP 9 -77.237 -37.547 32.068 46 HB3 TRP 9 2HB TRP 9 -78.680 -38.527 32.133 47 HD1 TRP 9 HD TRP 9 -80.665 -37.705 33.805 48 HE1 TRP 9 1HE TRP 9 -81.306 -35.358 34.607 49 HE3 TRP 9 3HE TRP 9 -76.338 -35.244 32.646 50 HZ2 TRP 9 2HZ TRP 9 -80.083 -32.736 34.761 51 HZ3 TRP 9 3HZ TRP 9 -76.110 -32.814 33.104 52 HH2 TRP 9 HH TRP 9 -77.976 -31.558 34.156 53 H GLY 10 H GLY 10 -75.599 -36.993 33.245 54 HA2 GLY 10 1HA GLY 10 -74.821 -35.657 35.248 55 HA3 GLY 10 2HA GLY 10 -74.185 -37.185 35.863 56 H LEU 11 H LEU 11 -72.581 -38.305 34.523 57 HA LEU 11 HA LEU 11 -70.603 -38.493 33.595 58 HB2 LEU 11 1HB LEU 11 -72.215 -36.920 31.684 59 HB3 LEU 11 2HB LEU 11 -70.498 -37.066 31.293 60 HG LEU 11 HG LEU 11 -72.352 -39.426 31.838 61 HD11 LEU 11 1HD1 LEU 11 -72.431 -39.741 29.396 62 HD12 LEU 11 2HD1 LEU 11 -71.474 -38.264 29.157 63 HD13 LEU 11 3HD1 LEU 11 -73.106 -38.172 29.847 64 HD21 LEU 11 3HD2 LEU 11 -69.953 -39.984 32.147 65 HD22 LEU 11 1HD2 LEU 11 -69.582 -39.299 30.549 66 HD23 LEU 11 2HD2 LEU 11 -70.591 -40.747 30.693 67 H ARG 12 H ARG 12 -68.625 -36.996 32.510 68 HA ARG 12 HA ARG 12 -68.359 -34.474 33.844 69 HB2 ARG 12 1HB ARG 12 -67.971 -36.178 35.718 70 HB3 ARG 12 2HB ARG 12 -66.513 -36.685 34.891 71 HG2 ARG 12 1HG ARG 12 -67.054 -33.773 35.592 72 HG3 ARG 12 2HG ARG 12 -66.468 -34.890 36.833 73 HD2 ARG 12 1HD ARG 12 -65.078 -34.306 34.224 74 HD3 ARG 12 2HD ARG 12 -64.677 -33.507 35.733 75 HE ARG 12 HE ARG 12 -63.949 -36.141 34.771 76 HH11 ARG 12 1HH1 ARG 12 -64.157 -34.129 37.668 77 HH12 ARG 12 2HH1 ARG 12 -62.954 -34.979 38.563 78 HH21 ARG 12 1HH2 ARG 12 -62.362 -37.329 35.921 79 HH22 ARG 12 2HH2 ARG 12 -61.908 -36.893 37.525 80 H LEU 13 H LEU 13 -67.215 -33.337 32.345 81 HA LEU 13 HA LEU 13 -65.404 -34.757 30.445 82 HB2 LEU 13 1HB LEU 13 -66.947 -32.126 30.315 83 HB3 LEU 13 2HB LEU 13 -65.563 -32.419 29.292 84 HG LEU 13 HG LEU 13 -67.582 -32.840 28.072 85 HD11 LEU 13 1HD1 LEU 13 -66.227 -35.525 28.587 86 HD12 LEU 13 2HD1 LEU 13 -65.571 -34.221 27.563 87 HD13 LEU 13 3HD1 LEU 13 -67.095 -35.008 27.134 88 HD21 LEU 13 3HD2 LEU 13 -69.181 -34.564 28.556 89 HD22 LEU 13 1HD2 LEU 13 -69.053 -33.516 29.974 90 HD23 LEU 13 2HD2 LEU 13 -68.269 -35.118 29.971 91 H GLN 14 H GLN 14 -63.233 -33.671 30.079 92 HA GLN 14 HA GLN 14 -62.502 -31.612 31.858 93 HB2 GLN 14 1HB GLN 14 -60.937 -32.635 33.303 94 HB3 GLN 14 2HB GLN 14 -62.505 -33.338 33.602 95 HG2 GLN 14 1HG GLN 14 -60.320 -34.707 31.961 96 HG3 GLN 14 2HG GLN 14 -60.456 -34.836 33.702 97 HE21 GLN 14 1HE2 GLN 14 -63.621 -34.785 32.662 98 HE22 GLN 14 2HE2 GLN 14 -63.896 -36.499 32.406 99 H GLU 15 H GLU 15 -60.961 -30.549 31.103 100 HA GLU 15 HA GLU 15 -59.508 -31.299 28.720 101 HB2 GLU 15 1HB GLU 15 -59.689 -28.725 30.354 102 HB3 GLU 15 2HB GLU 15 -58.946 -28.867 28.765 103 HG2 GLU 15 1HG GLU 15 -61.180 -27.888 28.574 104 HG3 GLU 15 2HG GLU 15 -61.075 -29.431 27.729 105 H LYS 16 H LYS 16 -57.189 -29.969 28.824 106 HA LYS 16 HA LYS 16 -55.591 -30.875 31.077 107 HB2 LYS 16 1HB LYS 16 -55.535 -32.017 28.266 108 HB3 LYS 16 2HB LYS 16 -53.988 -31.711 29.021 109 HG2 LYS 16 1HG LYS 16 -54.128 -33.378 30.415 110 HG3 LYS 16 2HG LYS 16 -55.757 -33.075 30.937 111 HD2 LYS 16 1HD LYS 16 -54.999 -34.486 28.354 112 HD3 LYS 16 2HD LYS 16 -55.460 -35.306 29.841 113 HE2 LYS 16 1HE LYS 16 -57.249 -33.397 28.258 114 HE3 LYS 16 2HE LYS 16 -57.346 -35.160 28.183 115 HZ1 LYS 16 3HZ LYS 16 -57.989 -35.160 30.514 116 HZ2 LYS 16 1HZ LYS 16 -58.997 -34.160 29.680 117 HZ3 LYS 16 2HZ LYS 16 -57.838 -33.514 30.607 118 HA PRO 17 HA PRO 17 -53.563 -27.100 30.032 119 HB2 PRO 17 1HB PRO 17 -51.052 -27.408 31.055 120 HB3 PRO 17 2HB PRO 17 -52.493 -27.397 32.116 121 HG2 PRO 17 1HG PRO 17 -51.030 -29.814 31.000 122 HG3 PRO 17 2HG PRO 17 -51.486 -29.491 32.705 123 HD2 PRO 17 1HD PRO 17 -53.041 -31.034 31.045 124 HD3 PRO 17 2HD PRO 17 -53.761 -29.955 32.278 125 H ALA 18 H ALA 18 -51.436 -26.306 28.903 126 HA ALA 18 HA ALA 18 -50.617 -28.126 26.706 127 HB1 ALA 18 1HB ALA 18 -50.742 -26.206 25.174 128 HB2 ALA 18 2HB ALA 18 -52.323 -26.501 25.914 129 HB3 ALA 18 3HB ALA 18 -51.306 -25.161 26.496 130 H LEU 19 H LEU 19 -48.679 -26.622 25.562 131 HA LEU 19 HA LEU 19 -46.781 -25.839 27.708 132 HB2 LEU 19 1HB LEU 19 -46.255 -27.667 25.320 133 HB3 LEU 19 2HB LEU 19 -44.989 -26.981 26.334 134 HG LEU 19 HG LEU 19 -47.146 -28.892 27.333 135 HD11 LEU 19 1HD1 LEU 19 -44.202 -29.371 26.703 136 HD12 LEU 19 2HD1 LEU 19 -45.583 -29.965 25.758 137 HD13 LEU 19 3HD1 LEU 19 -45.329 -30.551 27.407 138 HD21 LEU 19 3HD2 LEU 19 -46.331 -27.464 29.162 139 HD22 LEU 19 1HD2 LEU 19 -44.644 -27.790 28.701 140 HD23 LEU 19 2HD2 LEU 19 -45.675 -29.089 29.336 141 H LEU 20 H LEU 20 -44.779 -24.803 26.479 142 HA LEU 20 HA LEU 20 -45.727 -23.004 24.346 143 HB2 LEU 20 1HB LEU 20 -44.453 -21.196 25.452 144 HB3 LEU 20 2HB LEU 20 -45.864 -21.739 26.333 145 HG LEU 20 HG LEU 20 -44.390 -23.010 27.906 146 HD11 LEU 20 1HD1 LEU 20 -42.112 -21.644 26.404 147 HD12 LEU 20 2HD1 LEU 20 -42.343 -23.395 26.640 148 HD13 LEU 20 3HD1 LEU 20 -41.964 -22.371 28.017 149 HD21 LEU 20 3HD2 LEU 20 -43.611 -21.014 29.105 150 HD22 LEU 20 1HD2 LEU 20 -45.209 -20.738 28.401 151 HD23 LEU 20 2HD2 LEU 20 -43.769 -20.041 27.625 152 H PHE 21 H PHE 21 -43.620 -21.786 23.493 153 HA PHE 21 HA PHE 21 -41.624 -23.882 22.853 154 HB2 PHE 21 1HB PHE 21 -41.318 -22.459 20.765 155 HB3 PHE 21 2HB PHE 21 -42.832 -23.333 20.902 156 HD1 PHE 21 2HD PHE 21 -41.273 -19.943 21.198 157 HD2 PHE 21 1HD PHE 21 -44.953 -22.188 20.959 158 HE1 PHE 21 2HE PHE 21 -42.538 -17.843 20.874 159 HE2 PHE 21 1HE PHE 21 -46.214 -20.079 20.637 160 HZ PHE 21 HZ PHE 21 -45.013 -17.901 20.594 161 HA PRO 22 HA PRO 22 -38.652 -21.208 24.750 162 HB2 PRO 22 1HB PRO 22 -36.303 -21.917 23.564 163 HB3 PRO 22 2HB PRO 22 -37.242 -23.079 24.553 164 HG2 PRO 22 1HG PRO 22 -37.272 -22.756 21.527 165 HG3 PRO 22 2HG PRO 22 -37.039 -24.263 22.471 166 HD2 PRO 22 1HD PRO 22 -39.478 -23.523 21.485 167 HD3 PRO 22 2HD PRO 22 -39.320 -24.359 23.058 168 H GLY 23 H GLY 23 -36.959 -19.547 24.293 169 HA2 GLY 23 1HA GLY 23 -37.764 -17.783 22.059 170 HA3 GLY 23 2HA GLY 23 -36.837 -17.334 23.507 171 H MET 24 H MET 24 -35.528 -16.311 21.608 172 HA MET 24 HA MET 24 -33.407 -18.204 20.730 173 HB2 MET 24 1HB MET 24 -34.698 -15.900 19.197 174 HB3 MET 24 2HB MET 24 -33.188 -16.679 18.712 175 HG2 MET 24 1HG MET 24 -35.836 -18.138 19.030 176 HG3 MET 24 2HG MET 24 -35.201 -17.530 17.504 177 HE1 MET 24 3HE MET 24 -36.116 -20.585 18.449 178 HE2 MET 24 1HE MET 24 -35.796 -20.106 16.764 179 HE3 MET 24 2HE MET 24 -34.973 -21.521 17.461 180 H ALA 25 H ALA 25 -31.304 -17.131 20.486 181 HA ALA 25 HA ALA 25 -30.922 -14.533 21.814 182 HB1 ALA 25 1HB ALA 25 -29.211 -15.485 23.325 183 HB2 ALA 25 2HB ALA 25 -30.823 -16.131 23.682 184 HB3 ALA 25 3HB ALA 25 -29.642 -17.126 22.797 185 H ALA 26 H ALA 26 -30.659 -14.289 19.416 186 HA ALA 26 HA ALA 26 -28.376 -15.540 18.117 187 HB1 ALA 26 1HB ALA 26 -30.416 -14.881 16.891 188 HB2 ALA 26 2HB ALA 26 -30.113 -13.174 17.305 189 HB3 ALA 26 3HB ALA 26 -28.978 -14.051 16.256 190 H SER 27 H SER 27 -26.721 -13.959 17.017 191 HA SER 27 HA SER 27 -25.904 -11.854 18.912 192 HB2 SER 27 1HB SER 27 -24.809 -14.139 19.236 193 HB3 SER 27 2HB SER 27 -24.005 -13.878 17.685 194 HG SER 27 HG SER 27 -22.932 -13.286 19.732 195 H THR 28 H THR 28 -23.654 -10.921 17.673 196 HA THR 28 HA THR 28 -24.447 -10.222 14.915 197 HB THR 28 HB THR 28 -25.241 -8.521 16.553 198 HG1 THR 28 1HG THR 28 -24.762 -6.920 15.315 199 HG21 THR 28 3HG2 THR 28 -23.296 -8.632 18.144 200 HG22 THR 28 1HG2 THR 28 -23.713 -6.996 17.624 201 HG23 THR 28 2HG2 THR 28 -22.302 -7.816 16.921 202 H VAL 29 H VAL 29 -22.631 -9.237 13.734 203 HA VAL 29 HA VAL 29 -20.288 -10.875 13.884 204 HB VAL 29 HB VAL 29 -19.565 -9.562 11.904 205 HG11 VAL 29 1HG1 VAL 29 -21.013 -11.560 11.707 206 HG12 VAL 29 2HG1 VAL 29 -22.447 -10.517 11.765 207 HG13 VAL 29 3HG1 VAL 29 -21.304 -10.371 10.427 208 HG21 VAL 29 3HG2 VAL 29 -20.618 -7.358 12.514 209 HG22 VAL 29 1HG2 VAL 29 -20.991 -7.908 10.873 210 HG23 VAL 29 2HG2 VAL 29 -22.207 -8.070 12.145 211 H GLN 30 H GLN 30 -18.144 -9.365 13.226 212 HA GLN 30 HA GLN 30 -17.599 -7.521 15.474 213 HB2 GLN 30 1HB GLN 30 -16.117 -10.031 14.599 214 HB3 GLN 30 2HB GLN 30 -15.288 -8.764 15.480 215 HG2 GLN 30 1HG GLN 30 -17.750 -10.231 16.520 216 HG3 GLN 30 2HG GLN 30 -16.083 -10.612 16.949 217 HE21 GLN 30 1HE2 GLN 30 -18.508 -9.459 18.525 218 HE22 GLN 30 2HE2 GLN 30 -17.754 -8.101 19.387 219 H VAL 31 H VAL 31 -15.254 -6.602 14.966 220 HA VAL 31 HA VAL 31 -15.434 -5.230 12.404 221 HB VAL 31 HB VAL 31 -13.484 -4.031 13.189 222 HG11 VAL 31 1HG1 VAL 31 -15.436 -4.423 15.500 223 HG12 VAL 31 2HG1 VAL 31 -14.415 -3.015 15.189 224 HG13 VAL 31 3HG1 VAL 31 -15.718 -3.405 14.067 225 HG21 VAL 31 3HG2 VAL 31 -12.357 -4.511 15.302 226 HG22 VAL 31 1HG2 VAL 31 -13.353 -5.961 15.541 227 HG23 VAL 31 2HG2 VAL 31 -12.211 -5.872 14.180 228 H ALA 32 H ALA 32 -13.304 -4.943 11.165 229 HA ALA 32 HA ALA 32 -12.672 -7.543 10.127 230 HB1 ALA 32 1HB ALA 32 -11.605 -4.745 9.503 231 HB2 ALA 32 2HB ALA 32 -11.210 -6.190 8.547 232 HB3 ALA 32 3HB ALA 32 -12.876 -5.608 8.612 233 H GLY 33 H GLY 33 -10.420 -8.227 9.678 234 HA2 GLY 33 1HA GLY 33 -8.733 -7.977 12.121 235 HA3 GLY 33 2HA GLY 33 -8.681 -9.265 10.896 236 H ARG 34 H ARG 34 -6.598 -7.100 11.881 237 HA ARG 34 HA ARG 34 -5.699 -6.343 9.155 238 HB2 ARG 34 1HB ARG 34 -6.153 -4.508 11.555 239 HB3 ARG 34 2HB ARG 34 -5.033 -4.078 10.262 240 HG2 ARG 34 1HG ARG 34 -6.761 -4.117 8.596 241 HG3 ARG 34 2HG ARG 34 -7.955 -4.728 9.762 242 HD2 ARG 34 1HD ARG 34 -7.742 -2.674 11.090 243 HD3 ARG 34 2HD ARG 34 -6.607 -2.020 9.881 244 HE ARG 34 HE ARG 34 -8.624 -2.654 8.277 245 HH11 ARG 34 1HH1 ARG 34 -9.010 -1.087 11.503 246 HH12 ARG 34 2HH1 ARG 34 -10.549 -0.443 11.090 247 HH21 ARG 34 1HH2 ARG 34 -10.621 -1.730 7.776 248 HH22 ARG 34 2HH2 ARG 34 -11.489 -0.852 8.972 249 H LYS 35 H LYS 35 -3.404 -5.417 9.368 250 HA LYS 35 HA LYS 35 -1.803 -6.274 11.602 251 HB2 LYS 35 1HB LYS 35 -2.256 -8.318 9.922 252 HB3 LYS 35 2HB LYS 35 -1.077 -7.471 8.908 253 HG2 LYS 35 1HG LYS 35 0.522 -7.512 10.876 254 HG3 LYS 35 2HG LYS 35 -0.674 -8.417 11.799 255 HD2 LYS 35 1HD LYS 35 0.578 -9.270 9.149 256 HD3 LYS 35 2HD LYS 35 1.110 -9.806 10.741 257 HE2 LYS 35 1HE LYS 35 -1.592 -10.391 9.476 258 HE3 LYS 35 2HE LYS 35 -0.242 -11.513 9.668 259 HZ1 LYS 35 3HZ LYS 35 -0.461 -11.302 12.062 260 HZ2 LYS 35 1HZ LYS 35 -1.842 -11.845 11.360 261 HZ3 LYS 35 2HZ LYS 35 -1.758 -10.291 11.884 262 H ASP 36 H ASP 36 0.513 -5.709 11.034 263 HA ASP 36 HA ASP 36 1.934 -3.991 10.771 264 HB2 ASP 36 1HB ASP 36 1.162 -4.810 7.972 265 HB3 ASP 36 2HB ASP 36 2.383 -3.585 8.357 266 H TYR 37 H TYR 37 0.259 -2.670 11.821 267 HA TYR 37 HA TYR 37 -1.095 -0.641 10.315 268 HB2 TYR 37 1HB TYR 37 -0.605 -0.110 13.196 269 HB3 TYR 37 2HB TYR 37 -2.051 -0.082 12.264 270 HD1 TYR 37 2HD TYR 37 -2.591 -2.608 11.208 271 HD2 TYR 37 1HD TYR 37 -0.393 -1.840 14.826 272 HE1 TYR 37 2HE TYR 37 -3.555 -4.654 12.253 273 HE2 TYR 37 1HE TYR 37 -1.083 -4.040 15.724 274 HH TYR 37 HH TYR 37 -2.421 -6.005 15.319 275 HA PRO 38 HA PRO 38 2.315 2.359 11.644 276 HB2 PRO 38 1HB PRO 38 4.578 1.599 12.941 277 HB3 PRO 38 2HB PRO 38 3.014 1.859 13.791 278 HG2 PRO 38 1HG PRO 38 4.137 -0.785 12.746 279 HG3 PRO 38 2HG PRO 38 3.605 -0.394 14.413 280 HD2 PRO 38 1HD PRO 38 1.914 -1.570 12.701 281 HD3 PRO 38 2HD PRO 38 1.371 -0.254 13.779 282 H ALA 39 H ALA 39 4.078 3.200 10.629 283 HA ALA 39 HA ALA 39 5.047 1.939 8.251 284 HB1 ALA 39 1HB ALA 39 6.312 4.026 7.975 285 HB2 ALA 39 2HB ALA 39 4.661 4.392 8.501 286 HB3 ALA 39 3HB ALA 39 6.006 4.471 9.672 287 H LEU 40 H LEU 40 7.482 2.117 7.794 288 HA LEU 40 HA LEU 40 9.487 1.291 7.873 289 HB2 LEU 40 1HB LEU 40 9.351 1.852 10.816 290 HB3 LEU 40 2HB LEU 40 10.822 1.528 9.882 291 HG LEU 40 HG LEU 40 8.996 3.968 9.716 292 HD11 LEU 40 1HD1 LEU 40 11.954 3.729 10.468 293 HD12 LEU 40 2HD1 LEU 40 10.618 3.883 11.621 294 HD13 LEU 40 3HD1 LEU 40 10.961 5.204 10.493 295 HD21 LEU 40 3HD2 LEU 40 11.433 3.281 8.010 296 HD22 LEU 40 1HD2 LEU 40 10.679 4.881 8.094 297 HD23 LEU 40 2HD2 LEU 40 9.769 3.506 7.466 298 H LEU 41 H LEU 41 7.614 -0.409 7.611 299 HA LEU 41 HA LEU 41 7.198 -2.528 9.363 300 HB2 LEU 41 1HB LEU 41 6.494 -3.849 7.456 301 HB3 LEU 41 2HB LEU 41 5.942 -2.196 7.353 302 HG LEU 41 HG LEU 41 8.070 -1.854 5.787 303 HD11 LEU 41 1HD1 LEU 41 9.087 -4.062 5.988 304 HD12 LEU 41 2HD1 LEU 41 8.450 -3.895 4.364 305 HD13 LEU 41 3HD1 LEU 41 7.564 -4.858 5.575 306 HD21 LEU 41 3HD2 LEU 41 6.677 -2.430 3.839 307 HD22 LEU 41 1HD2 LEU 41 5.747 -1.575 5.070 308 HD23 LEU 41 2HD2 LEU 41 5.559 -3.335 4.899 309 HA PRO 42 HA PRO 42 11.099 -4.566 9.763 310 HB2 PRO 42 1HB PRO 42 10.414 -7.100 10.487 311 HB3 PRO 42 2HB PRO 42 10.167 -5.682 11.555 312 HG2 PRO 42 1HG PRO 42 8.167 -7.025 9.731 313 HG3 PRO 42 2HG PRO 42 7.944 -6.547 11.445 314 HD2 PRO 42 1HD PRO 42 7.076 -5.000 9.358 315 HD3 PRO 42 2HD PRO 42 7.707 -4.269 10.870 316 H LEU 43 H LEU 43 12.532 -6.197 8.784 317 HA LEU 43 HA LEU 43 11.497 -7.461 6.298 318 HB2 LEU 43 1HB LEU 43 13.965 -5.689 6.618 319 HB3 LEU 43 2HB LEU 43 13.747 -6.830 5.285 320 HG LEU 43 HG LEU 43 12.138 -4.334 5.878 321 HD11 LEU 43 1HD1 LEU 43 14.023 -5.245 3.643 322 HD12 LEU 43 2HD1 LEU 43 14.362 -4.002 4.865 323 HD13 LEU 43 3HD1 LEU 43 13.113 -3.730 3.617 324 HD21 LEU 43 3HD2 LEU 43 11.697 -6.267 3.571 325 HD22 LEU 43 1HD2 LEU 43 10.873 -4.708 3.888 326 HD23 LEU 43 2HD2 LEU 43 10.601 -6.049 4.963 327 H ASN 44 H ASN 44 11.946 -9.507 6.353 328 HA ASN 44 HA ASN 44 13.721 -10.712 8.264 329 HB2 ASN 44 1HB ASN 44 11.752 -11.875 7.159 330 HB3 ASN 44 2HB ASN 44 12.665 -11.948 5.690 331 HD21 ASN 44 1HD2 ASN 44 12.762 -14.439 5.801 332 HD22 ASN 44 2HD2 ASN 44 13.676 -15.184 7.082 333 H GLU 45 H GLU 45 15.802 -10.096 8.134 334 HA GLU 45 HA GLU 45 17.194 -9.338 5.788 335 HB2 GLU 45 1HB GLU 45 19.292 -9.785 7.180 336 HB3 GLU 45 2HB GLU 45 18.156 -8.547 7.708 337 HG2 GLU 45 1HG GLU 45 18.117 -11.326 8.920 338 HG3 GLU 45 2HG GLU 45 19.187 -10.042 9.484 339 H SER 46 H SER 46 16.740 -12.549 7.172 340 HA SER 46 HA SER 46 18.741 -13.809 5.504 341 HB2 SER 46 1HB SER 46 16.439 -14.945 7.136 342 HB3 SER 46 2HB SER 46 17.838 -15.857 6.510 343 HG SER 46 HG SER 46 17.985 -14.966 8.778 344 H GLU 47 H GLU 47 15.703 -12.535 4.706 345 HA GLU 47 HA GLU 47 15.111 -14.559 2.628 346 HB2 GLU 47 1HB GLU 47 13.527 -13.392 4.413 347 HB3 GLU 47 2HB GLU 47 13.466 -12.086 3.276 348 HG2 GLU 47 1HG GLU 47 11.628 -13.353 2.692 349 HG3 GLU 47 2HG GLU 47 12.828 -14.027 1.580 350 H LEU 48 H LEU 48 17.201 -12.136 2.883 351 HA LEU 48 HA LEU 48 16.598 -10.857 0.261 352 HB2 LEU 48 1HB LEU 48 18.593 -9.776 2.234 353 HB3 LEU 48 2HB LEU 48 17.752 -8.934 0.943 354 HG LEU 48 HG LEU 48 16.644 -9.786 3.639 355 HD11 LEU 48 1HD1 LEU 48 17.097 -7.036 2.432 356 HD12 LEU 48 2HD1 LEU 48 18.156 -7.843 3.613 357 HD13 LEU 48 3HD1 LEU 48 16.503 -7.395 4.072 358 HD21 LEU 48 3HD2 LEU 48 14.774 -9.986 2.095 359 HD22 LEU 48 1HD2 LEU 48 15.139 -8.385 1.415 360 HD23 LEU 48 2HD2 LEU 48 14.570 -8.573 3.099 361 H GLU 49 H GLU 49 18.510 -10.259 -0.974 362 HA GLU 49 HA GLU 49 20.771 -12.171 -0.772 363 HB2 GLU 49 1HB GLU 49 20.900 -12.429 -3.086 364 HB3 GLU 49 2HB GLU 49 19.218 -12.742 -2.668 365 HG2 GLU 49 1HG GLU 49 18.617 -10.474 -3.479 366 HG3 GLU 49 2HG GLU 49 20.306 -10.142 -3.860 367 H GLU 50 H GLU 50 22.738 -11.231 -0.898 368 HA GLU 50 HA GLU 50 22.918 -8.275 -1.224 369 HB2 GLU 50 1HB GLU 50 24.437 -8.252 0.576 370 HB3 GLU 50 2HB GLU 50 23.028 -9.135 1.116 371 HG2 GLU 50 1HG GLU 50 25.759 -10.259 0.364 372 HG3 GLU 50 2HG GLU 50 25.046 -10.148 1.963 373 H GLN 51 H GLN 51 24.979 -7.483 -2.044 374 HA GLN 51 HA GLN 51 26.632 -9.492 -3.501 375 HB2 GLN 51 1HB GLN 51 25.842 -6.775 -4.580 376 HB3 GLN 51 2HB GLN 51 26.774 -8.013 -5.409 377 HG2 GLN 51 1HG GLN 51 24.782 -9.457 -5.530 378 HG3 GLN 51 2HG GLN 51 23.814 -8.200 -4.738 379 HE21 GLN 51 1HE2 GLN 51 23.323 -9.254 -7.427 380 HE22 GLN 51 2HE2 GLN 51 23.583 -7.935 -8.564 381 H PHE 52 H PHE 52 28.630 -8.150 -4.389 382 HA PHE 52 HA PHE 52 29.712 -6.298 -2.356 383 HB2 PHE 52 1HB PHE 52 31.202 -8.647 -3.603 384 HB3 PHE 52 2HB PHE 52 31.786 -7.565 -2.350 385 HD1 PHE 52 1HD PHE 52 29.533 -10.435 -3.102 386 HD2 PHE 52 2HD PHE 52 31.137 -7.893 0.007 387 HE1 PHE 52 1HE PHE 52 28.611 -11.947 -1.370 388 HE2 PHE 52 2HE PHE 52 30.255 -9.444 1.719 389 HZ PHE 52 HZ PHE 52 29.001 -11.487 1.031 390 H VAL 53 H VAL 53 31.685 -5.132 -3.358 391 HA VAL 53 HA VAL 53 31.412 -4.899 -6.316 392 HB VAL 53 HB VAL 53 32.151 -2.770 -4.267 393 HG11 VAL 53 1HG1 VAL 53 33.369 -2.440 -6.379 394 HG12 VAL 53 2HG1 VAL 53 31.854 -2.591 -7.299 395 HG13 VAL 53 3HG1 VAL 53 32.108 -1.217 -6.203 396 HG21 VAL 53 3HG2 VAL 53 29.660 -3.086 -6.019 397 HG22 VAL 53 1HG2 VAL 53 29.713 -3.212 -4.253 398 HG23 VAL 53 2HG2 VAL 53 30.034 -1.660 -5.027 399 H LYS 54 H LYS 54 33.368 -5.294 -7.432 400 HA LYS 54 HA LYS 54 35.835 -5.518 -5.856 401 HB2 LYS 54 1HB LYS 54 34.632 -7.752 -6.005 402 HB3 LYS 54 2HB LYS 54 34.645 -7.607 -7.758 403 HG2 LYS 54 1HG LYS 54 36.339 -9.128 -7.078 404 HG3 LYS 54 2HG LYS 54 37.123 -7.694 -7.744 405 HD2 LYS 54 1HD LYS 54 37.713 -6.896 -5.524 406 HD3 LYS 54 2HD LYS 54 36.708 -8.113 -4.739 407 HE2 LYS 54 1HE LYS 54 39.146 -8.744 -6.469 408 HE3 LYS 54 2HE LYS 54 39.198 -8.569 -4.710 409 HZ1 LYS 54 3HZ LYS 54 39.002 -10.876 -5.351 410 HZ2 LYS 54 1HZ LYS 54 37.595 -10.593 -6.154 411 HZ3 LYS 54 2HZ LYS 54 37.662 -10.417 -4.522 412 H GLY 55 H GLY 55 37.692 -5.177 -7.199 413 HA2 GLY 55 1HA GLY 55 38.831 -4.753 -9.223 414 HA3 GLY 55 2HA GLY 55 37.281 -4.512 -10.056 415 H HIS 56 H HIS 56 38.705 -2.539 -10.737 416 HA HIS 56 HA HIS 56 37.917 -0.211 -9.174 417 HB2 HIS 56 1HB HIS 56 40.266 -0.881 -8.467 418 HB3 HIS 56 2HB HIS 56 40.773 -0.729 -10.151 419 HD1 HIS 56 1HD HIS 56 42.511 1.193 -9.390 420 HD2 HIS 56 2HD HIS 56 38.445 1.989 -8.601 421 HE1 HIS 56 1HE HIS 56 42.357 3.647 -8.711 422 H GLY 57 H GLY 57 36.933 1.123 -10.791 423 HA2 GLY 57 1HA GLY 57 37.909 1.083 -13.510 424 HA3 GLY 57 2HA GLY 57 36.344 0.270 -13.288 425 HA PRO 58 HA PRO 58 35.786 4.900 -13.788 426 HB2 PRO 58 1HB PRO 58 34.168 4.910 -16.010 427 HB3 PRO 58 2HB PRO 58 35.951 4.821 -16.090 428 HG2 PRO 58 1HG PRO 58 33.977 2.524 -16.205 429 HG3 PRO 58 2HG PRO 58 35.341 2.864 -17.319 430 HD2 PRO 58 1HD PRO 58 35.574 1.108 -15.254 431 HD3 PRO 58 2HD PRO 58 36.939 2.170 -15.717 432 H GLY 59 H GLY 59 33.532 6.080 -13.956 433 HA2 GLY 59 1HA GLY 59 31.304 6.282 -13.285 434 HA3 GLY 59 2HA GLY 59 31.247 4.547 -12.905 435 H GLY 60 H GLY 60 32.919 3.937 -11.084 436 HA2 GLY 60 1HA GLY 60 32.198 5.347 -8.677 437 HA3 GLY 60 2HA GLY 60 33.387 4.037 -8.819 438 H GLN 61 H GLN 61 34.403 6.193 -11.002 439 HA GLN 61 HA GLN 61 36.717 7.085 -9.709 440 HB2 GLN 61 1HB GLN 61 36.384 6.700 -12.131 441 HB3 GLN 61 2HB GLN 61 35.261 8.057 -12.212 442 HG2 GLN 61 1HG GLN 61 37.439 8.604 -13.168 443 HG3 GLN 61 2HG GLN 61 37.085 9.646 -11.800 444 HE21 GLN 61 1HE2 GLN 61 38.248 9.226 -9.750 445 HE22 GLN 61 2HE2 GLN 61 39.776 8.324 -9.812 446 H ALA 62 H ALA 62 33.557 8.360 -9.325 447 HA ALA 62 HA ALA 62 33.813 11.099 -9.232 448 HB1 ALA 62 1HB ALA 62 31.919 11.050 -7.668 449 HB2 ALA 62 2HB ALA 62 31.697 9.866 -8.970 450 HB3 ALA 62 3HB ALA 62 32.203 9.327 -7.348 451 H THR 63 H THR 63 35.372 8.900 -6.901 452 HA THR 63 HA THR 63 36.575 11.231 -5.695 453 HB THR 63 HB THR 63 34.447 11.027 -4.420 454 HG1 THR 63 1HG THR 63 35.761 11.906 -3.144 455 HG21 THR 63 3HG2 THR 63 34.105 8.579 -4.462 456 HG22 THR 63 1HG2 THR 63 34.092 9.224 -2.814 457 HG23 THR 63 2HG2 THR 63 35.517 8.357 -3.415 458 H ASN 64 H ASN 64 38.534 10.721 -4.726 459 HA ASN 64 HA ASN 64 39.748 8.193 -5.516 460 HB2 ASN 64 1HB ASN 64 40.945 10.452 -3.855 461 HB3 ASN 64 2HB ASN 64 41.822 9.192 -4.718 462 HD21 ASN 64 1HD2 ASN 64 42.200 9.500 -7.053 463 HD22 ASN 64 2HD2 ASN 64 41.669 10.993 -7.807 464 H LYS 65 H LYS 65 37.672 7.686 -3.750 465 HA LYS 65 HA LYS 65 39.045 6.485 -1.423 466 HB2 LYS 65 1HB LYS 65 36.509 8.162 -1.135 467 HB3 LYS 65 2HB LYS 65 37.285 7.255 0.155 468 HG2 LYS 65 1HG LYS 65 38.525 9.636 -1.285 469 HG3 LYS 65 2HG LYS 65 37.685 9.713 0.251 470 HD2 LYS 65 1HD LYS 65 39.374 8.583 1.433 471 HD3 LYS 65 2HD LYS 65 40.029 7.817 -0.008 472 HE2 LYS 65 1HE LYS 65 41.557 9.541 0.742 473 HE3 LYS 65 2HE LYS 65 40.904 9.902 -0.858 474 HZ1 LYS 65 3HZ LYS 65 39.972 11.122 1.674 475 HZ2 LYS 65 1HZ LYS 65 39.369 11.447 0.175 476 HZ3 LYS 65 2HZ LYS 65 40.918 11.854 0.542 477 H THR 66 H THR 66 36.832 6.149 -4.017 478 HA THR 66 HA THR 66 34.838 4.542 -3.030 479 HB THR 66 HB THR 66 36.263 4.498 -5.722 480 HG1 THR 66 1HG THR 66 34.865 6.154 -6.222 481 HG21 THR 66 3HG2 THR 66 34.080 3.867 -6.638 482 HG22 THR 66 1HG2 THR 66 33.356 3.879 -5.017 483 HG23 THR 66 2HG2 THR 66 34.586 2.659 -5.452 484 H SER 67 H SER 67 35.280 2.877 -1.614 485 HA SER 67 HA SER 67 36.514 0.490 -2.601 486 HB2 SER 67 1HB SER 67 38.403 2.049 -1.615 487 HB3 SER 67 2HB SER 67 37.660 1.684 -0.048 488 HG SER 67 HG SER 67 39.012 0.042 -1.866 489 H ASN 68 H ASN 68 36.082 -1.222 -0.870 490 HA ASN 68 HA ASN 68 34.545 -2.372 0.364 491 HB2 ASN 68 1HB ASN 68 34.575 0.140 2.083 492 HB3 ASN 68 2HB ASN 68 33.958 -1.438 2.569 493 HD21 ASN 68 1HD2 ASN 68 36.781 0.488 2.427 494 HD22 ASN 68 2HD2 ASN 68 37.897 -0.808 2.867 495 H CYS 69 H CYS 69 33.413 -0.546 -1.826 496 HA CYS 69 HA CYS 69 30.929 0.496 -1.015 497 HB2 CYS 69 1HB CYS 69 31.810 -0.546 -3.742 498 HB3 CYS 69 2HB CYS 69 30.454 0.551 -3.431 499 HG CYS 69 HG CYS 69 32.430 1.898 -4.494 500 H VAL 70 H VAL 70 28.855 -0.358 -1.098 501 HA VAL 70 HA VAL 70 28.553 -3.181 -1.849 502 HB VAL 70 HB VAL 70 27.413 -2.185 0.770 503 HG11 VAL 70 1HG1 VAL 70 28.165 -4.918 -0.379 504 HG12 VAL 70 2HG1 VAL 70 27.535 -4.657 1.267 505 HG13 VAL 70 3HG1 VAL 70 26.536 -4.249 -0.110 506 HG21 VAL 70 3HG2 VAL 70 29.249 -3.350 2.024 507 HG22 VAL 70 1HG2 VAL 70 30.185 -3.419 0.523 508 HG23 VAL 70 2HG2 VAL 70 29.741 -1.854 1.244 509 H VAL 71 H VAL 71 26.229 -3.807 -1.954 510 HA VAL 71 HA VAL 71 24.296 -1.671 -2.402 511 HB VAL 71 HB VAL 71 25.467 -2.012 -4.538 512 HG11 VAL 71 1HG1 VAL 71 25.429 -4.133 -5.752 513 HG12 VAL 71 2HG1 VAL 71 26.300 -4.319 -4.237 514 HG13 VAL 71 3HG1 VAL 71 24.629 -4.927 -4.379 515 HG21 VAL 71 3HG2 VAL 71 23.062 -1.547 -4.729 516 HG22 VAL 71 1HG2 VAL 71 23.638 -2.564 -6.036 517 HG23 VAL 71 2HG2 VAL 71 22.711 -3.290 -4.704 518 H LEU 72 H LEU 72 22.112 -2.579 -2.421 519 HA LEU 72 HA LEU 72 21.758 -5.333 -1.433 520 HB2 LEU 72 1HB LEU 72 21.832 -3.295 0.435 521 HB3 LEU 72 2HB LEU 72 20.173 -3.174 -0.057 522 HG LEU 72 HG LEU 72 19.945 -4.516 1.747 523 HD11 LEU 72 1HD1 LEU 72 19.006 -5.987 0.003 524 HD12 LEU 72 2HD1 LEU 72 19.709 -6.911 1.310 525 HD13 LEU 72 3HD1 LEU 72 20.593 -6.764 -0.204 526 HD21 LEU 72 3HD2 LEU 72 22.391 -4.600 2.247 527 HD22 LEU 72 1HD2 LEU 72 22.495 -6.032 1.190 528 HD23 LEU 72 2HD2 LEU 72 21.516 -6.073 2.661 529 H LYS 73 H LYS 73 19.545 -6.047 -2.005 530 HA LYS 73 HA LYS 73 17.840 -4.116 -3.398 531 HB2 LYS 73 1HB LYS 73 17.678 -5.339 -5.410 532 HB3 LYS 73 2HB LYS 73 19.396 -5.164 -5.110 533 HG2 LYS 73 1HG LYS 73 19.370 -7.350 -5.780 534 HG3 LYS 73 2HG LYS 73 19.091 -7.607 -4.063 535 HD2 LYS 73 1HD LYS 73 17.528 -8.982 -4.981 536 HD3 LYS 73 2HD LYS 73 16.557 -7.579 -4.699 537 HE2 LYS 73 1HE LYS 73 17.692 -8.516 -7.358 538 HE3 LYS 73 2HE LYS 73 16.019 -8.632 -6.813 539 HZ1 LYS 73 3HZ LYS 73 17.387 -6.320 -7.871 540 HZ2 LYS 73 1HZ LYS 73 16.127 -6.076 -6.789 541 HZ3 LYS 73 2HZ LYS 73 15.933 -6.952 -8.151 542 H HIS 74 H HIS 74 15.697 -4.977 -3.735 543 HA HIS 74 HA HIS 74 14.992 -7.097 -1.702 544 HB2 HIS 74 1HB HIS 74 13.950 -4.608 -1.653 545 HB3 HIS 74 2HB HIS 74 12.910 -5.263 -2.888 546 HD1 HIS 74 1HD HIS 74 10.649 -6.146 -1.728 547 HD2 HIS 74 2HD HIS 74 14.167 -6.636 0.574 548 HE1 HIS 74 1HE HIS 74 9.966 -7.293 0.412 549 H VAL 75 H VAL 75 14.231 -9.029 -2.633 550 HA VAL 75 HA VAL 75 14.256 -9.280 -5.502 551 HB VAL 75 HB VAL 75 13.593 -11.179 -3.236 552 HG11 VAL 75 1HG1 VAL 75 12.198 -11.926 -5.103 553 HG12 VAL 75 2HG1 VAL 75 13.557 -11.762 -6.225 554 HG13 VAL 75 3HG1 VAL 75 13.584 -13.003 -4.946 555 HG21 VAL 75 3HG2 VAL 75 15.865 -11.113 -5.271 556 HG22 VAL 75 1HG2 VAL 75 15.982 -10.602 -3.583 557 HG23 VAL 75 2HG2 VAL 75 15.669 -12.286 -3.954 558 HA PRO 76 HA PRO 76 9.541 -9.884 -5.282 559 HB2 PRO 76 1HB PRO 76 8.047 -9.090 -3.125 560 HB3 PRO 76 2HB PRO 76 8.783 -10.707 -3.274 561 HG2 PRO 76 1HG PRO 76 9.946 -8.297 -1.926 562 HG3 PRO 76 2HG PRO 76 9.700 -9.927 -1.197 563 HD2 PRO 76 1HD PRO 76 12.074 -9.238 -2.184 564 HD3 PRO 76 2HD PRO 76 11.414 -10.845 -2.616 565 H SER 77 H SER 77 11.117 -7.000 -4.282 566 HA SER 77 HA SER 77 8.952 -5.342 -5.537 567 HB2 SER 77 1HB SER 77 11.158 -4.299 -3.766 568 HB3 SER 77 2HB SER 77 9.627 -3.532 -4.197 569 HG SER 77 HG SER 77 8.557 -5.037 -2.911 570 H GLY 78 H GLY 78 12.246 -6.477 -5.745 571 HA2 GLY 78 1HA GLY 78 13.750 -6.447 -7.358 572 HA3 GLY 78 2HA GLY 78 12.701 -5.530 -8.406 573 H ILE 79 H ILE 79 12.727 -3.600 -5.748 574 HA ILE 79 HA ILE 79 14.279 -1.560 -6.750 575 HB ILE 79 HB ILE 79 13.768 -2.091 -3.795 576 HG12 ILE 79 1HG1 ILE 79 11.826 -0.468 -5.454 577 HG13 ILE 79 2HG1 ILE 79 11.622 -2.205 -5.351 578 HG21 ILE 79 1HG2 ILE 79 15.153 -0.183 -3.917 579 HG22 ILE 79 2HG2 ILE 79 14.395 0.392 -5.426 580 HG23 ILE 79 3HG2 ILE 79 13.543 0.544 -3.906 581 HD11 ILE 79 3HD1 ILE 79 11.674 -0.332 -2.967 582 HD12 ILE 79 1HD1 ILE 79 10.280 -1.159 -3.668 583 HD13 ILE 79 2HD1 ILE 79 11.560 -2.099 -2.878 584 H VAL 80 H VAL 80 16.386 -0.752 -6.283 585 HA VAL 80 HA VAL 80 18.264 -2.493 -4.793 586 HB VAL 80 HB VAL 80 18.782 -1.152 -7.475 587 HG11 VAL 80 1HG1 VAL 80 20.859 -2.534 -7.485 588 HG12 VAL 80 2HG1 VAL 80 20.831 -1.376 -6.165 589 HG13 VAL 80 3HG1 VAL 80 20.474 -3.091 -5.837 590 HG21 VAL 80 3HG2 VAL 80 17.300 -3.018 -7.938 591 HG22 VAL 80 1HG2 VAL 80 18.929 -3.348 -8.513 592 HG23 VAL 80 2HG2 VAL 80 18.363 -4.118 -7.032 593 H VAL 81 H VAL 81 19.903 -1.332 -3.757 594 HA VAL 81 HA VAL 81 20.031 1.590 -4.057 595 HB VAL 81 HB VAL 81 18.297 1.149 -2.325 596 HG11 VAL 81 1HG1 VAL 81 18.902 0.402 -0.104 597 HG12 VAL 81 2HG1 VAL 81 19.360 -0.865 -1.256 598 HG13 VAL 81 3HG1 VAL 81 20.611 0.202 -0.574 599 HG21 VAL 81 3HG2 VAL 81 20.746 2.601 -1.261 600 HG22 VAL 81 1HG2 VAL 81 19.558 3.263 -2.406 601 HG23 VAL 81 2HG2 VAL 81 19.057 2.833 -0.767 602 H LYS 82 H LYS 82 22.019 2.392 -3.641 603 HA LYS 82 HA LYS 82 24.224 0.445 -3.017 604 HB2 LYS 82 1HB LYS 82 24.243 3.014 -4.685 605 HB3 LYS 82 2HB LYS 82 25.666 2.111 -4.193 606 HG2 LYS 82 1HG LYS 82 25.418 1.319 -6.311 607 HG3 LYS 82 2HG LYS 82 24.607 0.077 -5.382 608 HD2 LYS 82 1HD LYS 82 23.282 0.468 -7.299 609 HD3 LYS 82 2HD LYS 82 22.387 1.232 -5.990 610 HE2 LYS 82 1HE LYS 82 23.247 3.452 -6.670 611 HE3 LYS 82 2HE LYS 82 24.262 2.692 -7.921 612 HZ1 LYS 82 3HZ LYS 82 22.176 3.565 -8.850 613 HZ2 LYS 82 1HZ LYS 82 21.318 2.588 -7.836 614 HZ3 LYS 82 2HZ LYS 82 22.246 1.926 -8.996 615 H CYS 83 H CYS 83 25.385 0.837 -1.159 616 HA CYS 83 HA CYS 83 25.656 3.582 -0.154 617 HB2 CYS 83 1HB CYS 83 23.938 1.525 1.207 618 HB3 CYS 83 2HB CYS 83 24.973 2.537 2.222 619 HG CYS 83 HG CYS 83 23.178 3.810 -0.229 620 H HIS 84 H HIS 84 27.262 3.906 1.306 621 HA HIS 84 HA HIS 84 29.033 1.884 2.378 622 HB2 HIS 84 1HB HIS 84 30.127 2.098 0.215 623 HB3 HIS 84 2HB HIS 84 29.889 3.848 0.191 624 HD1 HIS 84 1HD HIS 84 31.512 5.314 1.856 625 HD2 HIS 84 2HD HIS 84 32.194 1.170 1.721 626 HE1 HIS 84 1HE HIS 84 33.645 4.880 3.184 627 H GLN 85 H GLN 85 29.934 2.840 4.268 628 HA GLN 85 HA GLN 85 29.908 5.762 4.608 629 HB2 GLN 85 1HB GLN 85 27.603 5.130 5.191 630 HB3 GLN 85 2HB GLN 85 28.197 3.850 6.232 631 HG2 GLN 85 1HG GLN 85 29.252 5.702 7.678 632 HG3 GLN 85 2HG GLN 85 28.334 6.851 6.698 633 HE21 GLN 85 1HE2 GLN 85 25.799 5.702 6.388 634 HE22 GLN 85 2HE2 GLN 85 25.146 5.238 7.947 635 H THR 86 H THR 86 29.917 2.827 6.673 636 HA THR 86 HA THR 86 32.262 3.688 8.112 637 HB THR 86 HB THR 86 31.792 1.414 9.221 638 HG1 THR 86 1HG THR 86 30.465 0.907 7.083 639 HG21 THR 86 3HG2 THR 86 29.436 3.374 9.019 640 HG22 THR 86 1HG2 THR 86 30.857 3.589 10.061 641 HG23 THR 86 2HG2 THR 86 29.751 2.242 10.339 642 H ARG 87 H ARG 87 34.279 2.571 8.218 643 HA ARG 87 HA ARG 87 35.296 1.670 5.697 644 HB2 ARG 87 1HB ARG 87 36.403 1.851 8.473 645 HB3 ARG 87 2HB ARG 87 37.252 0.865 7.270 646 HG2 ARG 87 1HG ARG 87 37.359 2.723 5.685 647 HG3 ARG 87 2HG ARG 87 36.378 3.737 6.758 648 HD2 ARG 87 1HD ARG 87 38.671 4.354 6.977 649 HD3 ARG 87 2HD ARG 87 38.088 3.599 8.480 650 HE ARG 87 HE ARG 87 39.339 1.691 6.728 651 HH11 ARG 87 1HH1 ARG 87 40.144 4.203 9.096 652 HH12 ARG 87 2HH1 ARG 87 41.668 3.532 9.537 653 HH21 ARG 87 1HH2 ARG 87 41.392 0.763 7.305 654 HH22 ARG 87 2HH2 ARG 87 42.394 1.521 8.475 655 H SER 88 H SER 88 33.799 -0.162 8.362 656 HA SER 88 HA SER 88 34.969 -2.679 7.564 657 HB2 SER 88 1HB SER 88 32.562 -2.111 9.340 658 HB3 SER 88 2HB SER 88 33.555 -3.577 9.309 659 HG SER 88 HG SER 88 34.097 -2.242 11.025 660 H VAL 89 H VAL 89 34.308 -3.703 5.712 661 HA VAL 89 HA VAL 89 32.042 -3.064 4.175 662 HB VAL 89 HB VAL 89 33.876 -4.264 3.223 663 HG11 VAL 89 1HG1 VAL 89 34.674 -5.605 5.153 664 HG12 VAL 89 2HG1 VAL 89 33.247 -6.663 5.004 665 HG13 VAL 89 3HG1 VAL 89 34.452 -6.589 3.708 666 HG21 VAL 89 3HG2 VAL 89 31.465 -6.145 3.253 667 HG22 VAL 89 1HG2 VAL 89 31.623 -4.688 2.256 668 HG23 VAL 89 2HG2 VAL 89 32.729 -6.048 2.012 669 H ASP 90 H ASP 90 32.424 -5.515 6.768 670 HA ASP 90 HA ASP 90 29.925 -6.726 6.668 671 HB2 ASP 90 1HB ASP 90 31.626 -7.615 8.083 672 HB3 ASP 90 2HB ASP 90 31.769 -6.094 8.982 673 H GLN 91 H GLN 91 30.826 -3.706 8.392 674 HA GLN 91 HA GLN 91 28.242 -3.336 9.582 675 HB2 GLN 91 1HB GLN 91 30.418 -2.311 10.368 676 HB3 GLN 91 2HB GLN 91 30.386 -1.296 8.931 677 HG2 GLN 91 1HG GLN 91 29.576 0.052 10.647 678 HG3 GLN 91 2HG GLN 91 28.126 -0.397 9.750 679 HE21 GLN 91 1HE2 GLN 91 27.971 0.644 12.341 680 HE22 GLN 91 2HE2 GLN 91 27.512 -0.603 13.464 681 H ASN 92 H ASN 92 29.794 -2.265 6.528 682 HA ASN 92 HA ASN 92 27.670 -0.574 5.665 683 HB2 ASN 92 1HB ASN 92 29.697 -2.119 4.021 684 HB3 ASN 92 2HB ASN 92 28.498 -1.029 3.320 685 HD21 ASN 92 1HD2 ASN 92 31.501 -0.768 3.235 686 HD22 ASN 92 2HD2 ASN 92 31.862 0.656 4.203 687 H ARG 93 H ARG 93 27.957 -4.128 5.658 688 HA ARG 93 HA ARG 93 25.881 -4.760 3.799 689 HB2 ARG 93 1HB ARG 93 26.563 -6.364 6.267 690 HB3 ARG 93 2HB ARG 93 25.639 -6.876 4.858 691 HG2 ARG 93 1HG ARG 93 27.634 -6.335 3.419 692 HG3 ARG 93 2HG ARG 93 28.577 -6.121 4.888 693 HD2 ARG 93 1HD ARG 93 27.233 -8.685 4.017 694 HD3 ARG 93 2HD ARG 93 28.935 -8.298 3.845 695 HE ARG 93 HE ARG 93 28.189 -8.035 6.597 696 HH11 ARG 93 1HH1 ARG 93 28.515 -10.682 4.237 697 HH12 ARG 93 2HH1 ARG 93 29.424 -11.704 5.274 698 HH21 ARG 93 1HH2 ARG 93 29.205 -9.434 8.046 699 HH22 ARG 93 2HH2 ARG 93 29.596 -11.066 7.610 700 H LYS 94 H LYS 94 25.801 -3.915 7.227 701 HA LYS 94 HA LYS 94 22.968 -4.245 7.593 702 HB2 LYS 94 1HB LYS 94 24.674 -2.379 9.307 703 HB3 LYS 94 2HB LYS 94 23.313 -3.413 9.773 704 HG2 LYS 94 1HG LYS 94 24.769 -5.357 9.060 705 HG3 LYS 94 2HG LYS 94 26.125 -4.223 9.021 706 HD2 LYS 94 1HD LYS 94 26.003 -3.849 11.385 707 HD3 LYS 94 2HD LYS 94 24.487 -4.760 11.523 708 HE2 LYS 94 1HE LYS 94 27.119 -5.930 10.477 709 HE3 LYS 94 2HE LYS 94 26.549 -6.084 12.149 710 HZ1 LYS 94 3HZ LYS 94 25.963 -8.025 10.818 711 HZ2 LYS 94 1HZ LYS 94 25.104 -7.117 9.770 712 HZ3 LYS 94 2HZ LYS 94 24.596 -7.225 11.320 713 H ILE 95 H ILE 95 25.085 -1.434 7.056 714 HA ILE 95 HA ILE 95 23.142 0.519 7.259 715 HB ILE 95 HB ILE 95 25.690 0.499 5.609 716 HG12 ILE 95 1HG1 ILE 95 24.983 1.689 8.357 717 HG13 ILE 95 2HG1 ILE 95 25.794 0.150 8.169 718 HG21 ILE 95 1HG2 ILE 95 25.611 2.977 5.652 719 HG22 ILE 95 2HG2 ILE 95 24.234 2.333 4.776 720 HG23 ILE 95 3HG2 ILE 95 24.020 2.925 6.436 721 HD11 ILE 95 3HD1 ILE 95 27.662 1.408 6.966 722 HD12 ILE 95 1HD1 ILE 95 26.873 2.877 7.600 723 HD13 ILE 95 2HD1 ILE 95 27.477 1.664 8.719 724 H ALA 96 H ALA 96 24.257 -1.091 4.196 725 HA ALA 96 HA ALA 96 22.408 0.348 2.588 726 HB1 ALA 96 1HB ALA 96 24.421 -0.993 1.818 727 HB2 ALA 96 2HB ALA 96 23.335 -2.412 1.900 728 HB3 ALA 96 3HB ALA 96 22.946 -1.078 0.816 729 H ARG 97 H ARG 97 21.932 -2.486 4.654 730 HA ARG 97 HA ARG 97 19.384 -3.278 3.506 731 HB2 ARG 97 1HB ARG 97 21.074 -4.688 4.856 732 HB3 ARG 97 2HB ARG 97 20.415 -3.902 6.299 733 HG2 ARG 97 1HG ARG 97 18.156 -4.785 5.725 734 HG3 ARG 97 2HG ARG 97 18.822 -5.488 4.237 735 HD2 ARG 97 1HD ARG 97 18.706 -7.241 5.862 736 HD3 ARG 97 2HD ARG 97 20.408 -6.852 5.628 737 HE ARG 97 HE ARG 97 18.878 -5.586 7.843 738 HH11 ARG 97 1HH1 ARG 97 21.570 -7.831 7.034 739 HH12 ARG 97 2HH1 ARG 97 21.683 -8.370 8.678 740 HH21 ARG 97 1HH2 ARG 97 19.119 -6.402 9.967 741 HH22 ARG 97 2HH2 ARG 97 20.391 -7.514 10.313 742 H LYS 98 H LYS 98 20.318 -1.281 6.422 743 HA LYS 98 HA LYS 98 17.558 -0.878 7.042 744 HB2 LYS 98 1HB LYS 98 18.130 0.610 8.703 745 HB3 LYS 98 2HB LYS 98 19.336 -0.636 8.687 746 HG2 LYS 98 1HG LYS 98 20.702 1.166 9.013 747 HG3 LYS 98 2HG LYS 98 20.746 1.092 7.266 748 HD2 LYS 98 1HD LYS 98 20.417 3.388 7.838 749 HD3 LYS 98 2HD LYS 98 18.853 2.809 7.249 750 HE2 LYS 98 1HE LYS 98 18.272 2.328 9.735 751 HE3 LYS 98 2HE LYS 98 19.757 3.178 10.157 752 HZ1 LYS 98 3HZ LYS 98 18.815 5.156 9.095 753 HZ2 LYS 98 1HZ LYS 98 17.800 4.560 10.262 754 HZ3 LYS 98 2HZ LYS 98 17.447 4.301 8.701 755 H VAL 99 H VAL 99 19.694 0.965 4.795 756 HA VAL 99 HA VAL 99 17.633 2.995 4.460 757 HB VAL 99 HB VAL 99 19.952 3.527 3.991 758 HG11 VAL 99 1HG1 VAL 99 21.090 2.726 1.985 759 HG12 VAL 99 2HG1 VAL 99 20.727 1.418 3.102 760 HG13 VAL 99 3HG1 VAL 99 19.759 1.621 1.630 761 HG21 VAL 99 3HG2 VAL 99 18.130 4.763 2.781 762 HG22 VAL 99 1HG2 VAL 99 19.679 4.743 1.915 763 HG23 VAL 99 2HG2 VAL 99 18.360 3.680 1.399 764 H LEU 100 H LEU 100 18.329 -0.161 3.032 765 HA LEU 100 HA LEU 100 16.483 0.051 0.819 766 HB2 LEU 100 1HB LEU 100 18.198 -1.732 0.880 767 HB3 LEU 100 2HB LEU 100 17.459 -2.408 2.325 768 HG LEU 100 HG LEU 100 15.374 -2.903 1.033 769 HD11 LEU 100 1HD1 LEU 100 17.074 -2.093 -1.386 770 HD12 LEU 100 2HD1 LEU 100 15.613 -1.257 -0.815 771 HD13 LEU 100 3HD1 LEU 100 15.487 -2.896 -1.439 772 HD21 LEU 100 3HD2 LEU 100 17.884 -4.092 -0.167 773 HD22 LEU 100 1HD2 LEU 100 16.267 -4.834 -0.098 774 HD23 LEU 100 2HD2 LEU 100 17.171 -4.576 1.392 775 H GLN 101 H GLN 101 16.156 -0.745 4.291 776 HA GLN 101 HA GLN 101 13.562 -1.778 4.239 777 HB2 GLN 101 1HB GLN 101 15.224 -1.706 6.150 778 HB3 GLN 101 2HB GLN 101 14.684 -0.047 6.479 779 HG2 GLN 101 1HG GLN 101 12.506 -0.748 7.070 780 HG3 GLN 101 2HG GLN 101 12.689 -2.297 6.285 781 HE21 GLN 101 1HE2 GLN 101 11.697 -2.694 8.533 782 HE22 GLN 101 2HE2 GLN 101 12.770 -3.218 9.789 783 H GLU 102 H GLU 102 14.612 1.653 4.266 784 HA GLU 102 HA GLU 102 12.024 2.821 4.449 785 HB2 GLU 102 1HB GLU 102 14.454 3.798 2.886 786 HB3 GLU 102 2HB GLU 102 13.092 4.776 3.346 787 HG2 GLU 102 1HG GLU 102 15.115 3.502 5.195 788 HG3 GLU 102 2HG GLU 102 15.011 5.206 4.768 789 H LYS 103 H LYS 103 13.889 1.629 1.689 790 HA LYS 103 HA LYS 103 12.223 2.672 -0.425 791 HB2 LYS 103 1HB LYS 103 13.925 0.134 -0.444 792 HB3 LYS 103 2HB LYS 103 13.282 0.942 -1.829 793 HG2 LYS 103 1HG LYS 103 15.352 2.175 0.019 794 HG3 LYS 103 2HG LYS 103 15.726 1.278 -1.450 795 HD2 LYS 103 1HD LYS 103 14.283 2.878 -2.758 796 HD3 LYS 103 2HD LYS 103 14.117 3.848 -1.275 797 HE2 LYS 103 1HE LYS 103 16.546 4.177 -1.176 798 HE3 LYS 103 2HE LYS 103 16.777 3.109 -2.566 799 HZ1 LYS 103 3HZ LYS 103 15.763 4.609 -3.964 800 HZ2 LYS 103 1HZ LYS 103 16.768 5.526 -3.042 801 HZ3 LYS 103 2HZ LYS 103 15.136 5.546 -2.750 802 H VAL 104 H VAL 104 12.360 -0.470 1.255 803 HA VAL 104 HA VAL 104 10.219 -1.634 -0.274 804 HB VAL 104 HB VAL 104 11.538 -2.474 2.342 805 HG11 VAL 104 1HG1 VAL 104 10.672 -4.751 1.664 806 HG12 VAL 104 2HG1 VAL 104 9.378 -3.617 2.065 807 HG13 VAL 104 3HG1 VAL 104 9.768 -3.957 0.360 808 HG21 VAL 104 3HG2 VAL 104 12.840 -4.002 0.937 809 HG22 VAL 104 1HG2 VAL 104 12.018 -3.406 -0.528 810 HG23 VAL 104 2HG2 VAL 104 13.119 -2.358 0.375 811 H ASP 105 H ASP 105 10.422 -0.019 2.937 812 HA ASP 105 HA ASP 105 7.880 -0.464 3.925 813 HB2 ASP 105 1HB ASP 105 9.700 0.583 5.145 814 HB3 ASP 105 2HB ASP 105 9.681 1.983 4.069 815 H VAL 106 H VAL 106 8.821 2.462 2.084 816 HA VAL 106 HA VAL 106 6.193 3.317 1.607 817 HB VAL 106 HB VAL 106 8.327 4.642 1.589 818 HG11 VAL 106 1HG1 VAL 106 8.603 3.710 -1.301 819 HG12 VAL 106 2HG1 VAL 106 9.557 4.968 -0.495 820 HG13 VAL 106 3HG1 VAL 106 9.681 3.287 0.030 821 HG21 VAL 106 3HG2 VAL 106 6.232 5.636 0.945 822 HG22 VAL 106 1HG2 VAL 106 7.521 6.258 -0.095 823 HG23 VAL 106 2HG2 VAL 106 6.388 4.994 -0.691 824 H PHE 107 H PHE 107 7.982 0.874 -0.026 825 HA PHE 107 HA PHE 107 6.468 0.962 -2.525 826 HB2 PHE 107 1HB PHE 107 8.748 0.080 -2.395 827 HB3 PHE 107 2HB PHE 107 8.209 -1.244 -1.373 828 HD1 PHE 107 2HD PHE 107 7.745 0.226 -4.784 829 HD2 PHE 107 1HD PHE 107 7.175 -3.203 -2.233 830 HE1 PHE 107 2HE PHE 107 7.009 -1.106 -6.730 831 HE2 PHE 107 1HE PHE 107 6.444 -4.547 -4.213 832 HZ PHE 107 HZ PHE 107 6.385 -3.489 -6.462 833 H TYR 108 H TYR 108 5.989 -0.566 0.645 834 HA TYR 108 HA TYR 108 3.715 -2.160 -0.484 835 HB2 TYR 108 1HB TYR 108 5.300 -2.395 2.064 836 HB3 TYR 108 2HB TYR 108 3.726 -3.151 1.864 837 HD1 TYR 108 2HD TYR 108 3.311 -4.880 0.083 838 HD2 TYR 108 1HD TYR 108 7.248 -3.364 0.960 839 HE1 TYR 108 2HE TYR 108 4.300 -6.746 -1.192 840 HE2 TYR 108 1HE TYR 108 8.248 -5.269 -0.309 841 HH TYR 108 HH TYR 108 6.291 -7.785 -1.853 842 H ASN 109 H ASN 109 4.498 0.538 1.663 843 HA ASN 109 HA ASN 109 1.786 0.838 2.655 844 HB2 ASN 109 1HB ASN 109 4.037 2.868 2.484 845 HB3 ASN 109 2HB ASN 109 2.566 3.052 3.432 846 HD21 ASN 109 1HD2 ASN 109 5.409 3.099 4.269 847 HD22 ASN 109 2HD2 ASN 109 5.677 1.779 5.372 848 H SER 110 H SER 110 3.087 1.350 -0.453 849 HA SER 110 HA SER 110 0.899 3.182 -1.198 850 HB2 SER 110 1HB SER 110 3.486 4.051 -0.864 851 HB3 SER 110 2HB SER 110 3.581 3.469 -2.532 852 HG SER 110 HG SER 110 1.733 5.311 -1.397 853 H GLY 111 H GLY 111 0.850 3.233 -3.765 854 HA2 GLY 111 1HA GLY 111 0.535 0.473 -4.589 855 HA3 GLY 111 2HA GLY 111 0.204 1.928 -5.554 856 HA PRO 112 HA PRO 112 4.398 0.028 -6.648 857 HB2 PRO 112 1HB PRO 112 3.895 -1.476 -8.851 858 HB3 PRO 112 2HB PRO 112 3.624 -2.112 -7.197 859 HG2 PRO 112 1HG PRO 112 1.599 -0.909 -9.094 860 HG3 PRO 112 2HG PRO 112 1.466 -2.428 -8.165 861 HD2 PRO 112 1HD PRO 112 0.395 -0.010 -7.342 862 HD3 PRO 112 2HD PRO 112 0.942 -1.243 -6.184 863 H SER 113 H SER 113 5.659 1.296 -8.003 864 HA SER 113 HA SER 113 4.463 2.690 -10.291 865 HB2 SER 113 1HB SER 113 5.396 4.850 -9.428 866 HB3 SER 113 2HB SER 113 4.024 4.220 -8.515 867 HG SER 113 HG SER 113 5.749 5.016 -7.201 868 H SER 114 H SER 114 6.464 4.028 -11.313 869 HA SER 114 HA SER 114 8.818 2.214 -11.291 870 HB2 SER 114 1HB SER 114 8.880 3.315 -13.743 871 HB3 SER 114 2HB SER 114 8.079 1.786 -13.369 872 HG SER 114 HG SER 114 6.118 2.822 -13.272 873 H GLY 115 H GLY 115 10.784 3.505 -12.405 874 HA2 GLY 115 1HA GLY 115 11.031 6.242 -12.049 875 HA3 GLY 115 2HA GLY 115 11.593 5.448 -10.564 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -90.602 -60.533 32.001 2 HA2 GLY 1 1HA GLY 1 -91.146 -58.970 29.530 3 HA3 GLY 1 2HA GLY 1 -91.685 -58.468 31.153 4 H SER 2 H SER 2 -90.047 -56.667 29.738 5 HA SER 2 HA SER 2 -87.729 -56.497 31.431 6 HB2 SER 2 1HB SER 2 -86.328 -56.150 29.233 7 HB3 SER 2 2HB SER 2 -86.597 -57.787 29.840 8 HG SER 2 HG SER 2 -86.984 -57.424 27.532 9 H SER 3 H SER 3 -86.570 -54.274 30.579 10 HA SER 3 HA SER 3 -88.344 -52.369 29.357 11 HB2 SER 3 1HB SER 3 -87.542 -52.057 32.294 12 HB3 SER 3 2HB SER 3 -88.428 -50.878 31.311 13 HG SER 3 HG SER 3 -89.757 -53.142 31.111 14 H GLY 4 H GLY 4 -87.009 -50.103 29.500 15 HA2 GLY 4 1HA GLY 4 -84.257 -50.129 30.040 16 HA3 GLY 4 2HA GLY 4 -84.521 -50.488 28.317 17 H SER 5 H SER 5 -83.280 -48.181 28.526 18 HA SER 5 HA SER 5 -85.244 -46.158 27.843 19 HB2 SER 5 1HB SER 5 -84.154 -44.517 29.429 20 HB3 SER 5 2HB SER 5 -85.108 -45.782 30.215 21 HG SER 5 HG SER 5 -83.169 -45.611 31.291 22 H SER 6 H SER 6 -83.664 -44.040 27.275 23 HA SER 6 HA SER 6 -81.084 -44.717 26.215 24 HB2 SER 6 1HB SER 6 -83.489 -44.352 24.362 25 HB3 SER 6 2HB SER 6 -81.817 -44.111 23.830 26 HG SER 6 HG SER 6 -82.354 -46.496 25.167 27 H GLY 7 H GLY 7 -80.253 -42.683 25.003 28 HA2 GLY 7 1HA GLY 7 -81.583 -40.172 25.838 29 HA3 GLY 7 2HA GLY 7 -79.890 -40.492 26.287 30 H LYS 8 H LYS 8 -81.348 -38.619 24.223 31 HA LYS 8 HA LYS 8 -80.239 -39.541 21.677 32 HB2 LYS 8 1HB LYS 8 -82.455 -38.286 22.058 33 HB3 LYS 8 2HB LYS 8 -81.501 -36.822 22.228 34 HG2 LYS 8 1HG LYS 8 -81.562 -38.689 19.803 35 HG3 LYS 8 2HG LYS 8 -82.455 -37.175 19.966 36 HD2 LYS 8 1HD LYS 8 -80.260 -35.937 20.115 37 HD3 LYS 8 2HD LYS 8 -79.430 -37.471 19.845 38 HE2 LYS 8 1HE LYS 8 -79.504 -36.310 17.767 39 HE3 LYS 8 2HE LYS 8 -80.516 -37.754 17.670 40 HZ1 LYS 8 3HZ LYS 8 -81.595 -35.838 16.685 41 HZ2 LYS 8 1HZ LYS 8 -81.507 -34.999 18.097 42 HZ3 LYS 8 2HZ LYS 8 -82.452 -36.343 17.993 43 H TRP 9 H TRP 9 -78.012 -39.709 22.350 44 HA TRP 9 HA TRP 9 -76.525 -37.385 23.232 45 HB2 TRP 9 1HB TRP 9 -74.572 -38.919 22.810 46 HB3 TRP 9 2HB TRP 9 -75.787 -39.558 23.898 47 HD1 TRP 9 HD TRP 9 -77.017 -41.761 23.240 48 HE1 TRP 9 1HE TRP 9 -76.728 -43.496 21.392 49 HE3 TRP 9 3HE TRP 9 -73.800 -39.186 20.195 50 HZ2 TRP 9 2HZ TRP 9 -75.322 -43.735 18.873 51 HZ3 TRP 9 3HZ TRP 9 -72.999 -40.203 18.074 52 HH2 TRP 9 HH TRP 9 -73.758 -42.472 17.409 53 H GLY 10 H GLY 10 -74.511 -36.694 21.889 54 HA2 GLY 10 1HA GLY 10 -74.191 -36.913 19.172 55 HA3 GLY 10 2HA GLY 10 -75.397 -35.627 19.374 56 H LEU 11 H LEU 11 -72.406 -35.629 18.560 57 HA LEU 11 HA LEU 11 -71.588 -33.316 20.174 58 HB2 LEU 11 1HB LEU 11 -69.835 -35.785 19.696 59 HB3 LEU 11 2HB LEU 11 -69.244 -34.213 20.188 60 HG LEU 11 HG LEU 11 -71.011 -34.542 22.193 61 HD11 LEU 11 1HD1 LEU 11 -71.741 -36.830 21.430 62 HD12 LEU 11 2HD1 LEU 11 -70.956 -36.867 23.010 63 HD13 LEU 11 3HD1 LEU 11 -70.065 -37.390 21.566 64 HD21 LEU 11 3HD2 LEU 11 -68.619 -34.057 22.451 65 HD22 LEU 11 1HD2 LEU 11 -68.212 -35.751 22.092 66 HD23 LEU 11 2HD2 LEU 11 -69.117 -35.337 23.563 67 H ARG 12 H ARG 12 -69.532 -32.329 18.923 68 HA ARG 12 HA ARG 12 -69.345 -32.982 16.156 69 HB2 ARG 12 1HB ARG 12 -70.280 -31.172 15.208 70 HB3 ARG 12 2HB ARG 12 -71.451 -31.433 16.469 71 HG2 ARG 12 1HG ARG 12 -69.308 -29.309 16.251 72 HG3 ARG 12 2HG ARG 12 -71.030 -29.070 16.114 73 HD2 ARG 12 1HD ARG 12 -69.615 -29.883 18.682 74 HD3 ARG 12 2HD ARG 12 -70.048 -28.233 18.228 75 HE ARG 12 HE ARG 12 -72.316 -29.994 18.137 76 HH11 ARG 12 1HH1 ARG 12 -70.267 -28.135 20.360 77 HH12 ARG 12 2HH1 ARG 12 -71.459 -27.928 21.578 78 HH21 ARG 12 1HH2 ARG 12 -73.964 -29.747 19.780 79 HH22 ARG 12 2HH2 ARG 12 -73.625 -28.887 21.231 80 H LEU 13 H LEU 13 -67.439 -31.629 15.227 81 HA LEU 13 HA LEU 13 -65.685 -30.531 17.364 82 HB2 LEU 13 1HB LEU 13 -64.973 -32.483 15.119 83 HB3 LEU 13 2HB LEU 13 -63.797 -31.529 15.981 84 HG LEU 13 HG LEU 13 -63.659 -33.675 16.836 85 HD11 LEU 13 1HD1 LEU 13 -65.201 -32.108 18.939 86 HD12 LEU 13 2HD1 LEU 13 -63.492 -31.853 18.513 87 HD13 LEU 13 3HD1 LEU 13 -64.014 -33.394 19.209 88 HD21 LEU 13 3HD2 LEU 13 -65.358 -35.043 17.744 89 HD22 LEU 13 1HD2 LEU 13 -65.930 -34.501 16.161 90 HD23 LEU 13 2HD2 LEU 13 -66.574 -33.771 17.654 91 H GLN 14 H GLN 14 -63.989 -29.090 16.421 92 HA GLN 14 HA GLN 14 -63.948 -28.109 13.837 93 HB2 GLN 14 1HB GLN 14 -64.855 -25.890 14.120 94 HB3 GLN 14 2HB GLN 14 -66.140 -27.049 14.281 95 HG2 GLN 14 1HG GLN 14 -64.763 -25.666 16.646 96 HG3 GLN 14 2HG GLN 14 -66.185 -25.042 15.834 97 HE21 GLN 14 1HE2 GLN 14 -67.270 -27.966 15.570 98 HE22 GLN 14 2HE2 GLN 14 -67.840 -28.243 17.224 99 H GLU 15 H GLU 15 -62.381 -26.095 13.885 100 HA GLU 15 HA GLU 15 -61.139 -25.404 16.296 101 HB2 GLU 15 1HB GLU 15 -60.096 -27.833 15.161 102 HB3 GLU 15 2HB GLU 15 -58.947 -26.576 14.747 103 HG2 GLU 15 1HG GLU 15 -59.882 -27.436 17.505 104 HG3 GLU 15 2HG GLU 15 -58.244 -27.464 16.852 105 H LYS 16 H LYS 16 -58.875 -24.273 15.471 106 HA LYS 16 HA LYS 16 -59.817 -22.300 13.464 107 HB2 LYS 16 1HB LYS 16 -57.706 -22.325 15.674 108 HB3 LYS 16 2HB LYS 16 -57.520 -21.229 14.324 109 HG2 LYS 16 1HG LYS 16 -58.615 -19.925 15.910 110 HG3 LYS 16 2HG LYS 16 -59.835 -20.351 14.726 111 HD2 LYS 16 1HD LYS 16 -60.949 -20.549 16.718 112 HD3 LYS 16 2HD LYS 16 -60.562 -22.226 16.392 113 HE2 LYS 16 1HE LYS 16 -58.729 -20.469 18.083 114 HE3 LYS 16 2HE LYS 16 -60.200 -21.149 18.788 115 HZ1 LYS 16 3HZ LYS 16 -58.177 -22.937 17.550 116 HZ2 LYS 16 1HZ LYS 16 -59.397 -23.349 18.437 117 HZ3 LYS 16 2HZ LYS 16 -58.183 -22.542 19.150 118 HA PRO 17 HA PRO 17 -57.037 -23.847 10.405 119 HB2 PRO 17 1HB PRO 17 -56.290 -21.597 9.011 120 HB3 PRO 17 2HB PRO 17 -57.953 -22.262 8.950 121 HG2 PRO 17 1HG PRO 17 -56.911 -20.003 10.698 122 HG3 PRO 17 2HG PRO 17 -58.387 -20.018 9.677 123 HD2 PRO 17 1HD PRO 17 -58.512 -20.552 12.351 124 HD3 PRO 17 2HD PRO 17 -59.524 -21.449 11.181 125 H ALA 18 H ALA 18 -54.787 -24.142 10.054 126 HA ALA 18 HA ALA 18 -53.065 -23.295 12.230 127 HB1 ALA 18 1HB ALA 18 -52.886 -25.549 11.203 128 HB2 ALA 18 2HB ALA 18 -52.433 -24.804 9.649 129 HB3 ALA 18 3HB ALA 18 -51.363 -24.655 11.056 130 H LEU 19 H LEU 19 -50.933 -22.250 11.836 131 HA LEU 19 HA LEU 19 -50.699 -20.459 9.519 132 HB2 LEU 19 1HB LEU 19 -50.759 -19.598 12.449 133 HB3 LEU 19 2HB LEU 19 -50.099 -18.590 11.171 134 HG LEU 19 HG LEU 19 -53.005 -19.498 11.303 135 HD11 LEU 19 1HD1 LEU 19 -51.729 -16.802 11.930 136 HD12 LEU 19 2HD1 LEU 19 -52.417 -17.940 13.112 137 HD13 LEU 19 3HD1 LEU 19 -53.471 -17.168 11.921 138 HD21 LEU 19 3HD2 LEU 19 -52.325 -19.062 8.977 139 HD22 LEU 19 1HD2 LEU 19 -51.590 -17.511 9.453 140 HD23 LEU 19 2HD2 LEU 19 -53.350 -17.756 9.554 141 H LEU 20 H LEU 20 -48.463 -19.270 9.858 142 HA LEU 20 HA LEU 20 -46.461 -21.239 10.806 143 HB2 LEU 20 1HB LEU 20 -45.007 -20.478 8.993 144 HB3 LEU 20 2HB LEU 20 -46.481 -21.234 8.432 145 HG LEU 20 HG LEU 20 -47.425 -18.956 7.914 146 HD11 LEU 20 1HD1 LEU 20 -45.766 -17.085 7.600 147 HD12 LEU 20 2HD1 LEU 20 -44.595 -18.009 8.561 148 HD13 LEU 20 3HD1 LEU 20 -46.115 -17.429 9.285 149 HD21 LEU 20 3HD2 LEU 20 -46.096 -18.693 5.863 150 HD22 LEU 20 1HD2 LEU 20 -46.382 -20.402 6.210 151 HD23 LEU 20 2HD2 LEU 20 -44.794 -19.683 6.559 152 H PHE 21 H PHE 21 -44.215 -19.957 10.983 153 HA PHE 21 HA PHE 21 -44.686 -17.529 12.614 154 HB2 PHE 21 1HB PHE 21 -42.719 -18.412 13.964 155 HB3 PHE 21 2HB PHE 21 -44.230 -19.282 14.130 156 HD1 PHE 21 2HD PHE 21 -40.820 -19.416 12.606 157 HD2 PHE 21 1HD PHE 21 -44.432 -21.608 13.488 158 HE1 PHE 21 2HE PHE 21 -39.686 -21.527 12.009 159 HE2 PHE 21 1HE PHE 21 -43.288 -23.723 12.887 160 HZ PHE 21 HZ PHE 21 -40.912 -23.691 12.146 161 HA PRO 22 HA PRO 22 -41.681 -15.736 9.903 162 HB2 PRO 22 1HB PRO 22 -40.560 -13.740 11.389 163 HB3 PRO 22 2HB PRO 22 -42.292 -13.721 10.937 164 HG2 PRO 22 1HG PRO 22 -41.061 -14.687 13.543 165 HG3 PRO 22 2HG PRO 22 -42.423 -13.541 13.326 166 HD2 PRO 22 1HD PRO 22 -42.815 -16.199 13.806 167 HD3 PRO 22 2HD PRO 22 -43.907 -15.273 12.732 168 H GLY 23 H GLY 23 -39.274 -15.212 9.694 169 HA2 GLY 23 1HA GLY 23 -37.512 -16.867 11.415 170 HA3 GLY 23 2HA GLY 23 -37.503 -17.041 9.645 171 H MET 24 H MET 24 -35.111 -16.329 10.659 172 HA MET 24 HA MET 24 -34.775 -13.515 9.862 173 HB2 MET 24 1HB MET 24 -34.997 -13.630 12.376 174 HB3 MET 24 2HB MET 24 -33.638 -14.761 12.409 175 HG2 MET 24 1HG MET 24 -32.210 -12.973 11.353 176 HG3 MET 24 2HG MET 24 -33.591 -11.871 11.460 177 HE1 MET 24 3HE MET 24 -32.152 -10.116 12.707 178 HE2 MET 24 1HE MET 24 -31.246 -10.420 14.208 179 HE3 MET 24 2HE MET 24 -30.710 -11.159 12.685 180 H ALA 25 H ALA 25 -32.740 -13.226 8.859 181 HA ALA 25 HA ALA 25 -30.691 -15.273 8.852 182 HB1 ALA 25 1HB ALA 25 -30.751 -15.549 6.367 183 HB2 ALA 25 2HB ALA 25 -32.187 -16.238 7.152 184 HB3 ALA 25 3HB ALA 25 -32.293 -14.673 6.312 185 H ALA 26 H ALA 26 -29.675 -13.408 9.837 186 HA ALA 26 HA ALA 26 -29.440 -10.910 8.280 187 HB1 ALA 26 1HB ALA 26 -28.112 -10.168 10.221 188 HB2 ALA 26 2HB ALA 26 -29.664 -10.860 10.733 189 HB3 ALA 26 3HB ALA 26 -28.167 -11.808 10.907 190 H SER 27 H SER 27 -27.340 -10.028 7.767 191 HA SER 27 HA SER 27 -25.365 -12.051 6.848 192 HB2 SER 27 1HB SER 27 -26.555 -10.469 5.243 193 HB3 SER 27 2HB SER 27 -25.655 -9.140 6.011 194 HG SER 27 HG SER 27 -24.671 -11.419 4.614 195 H THR 28 H THR 28 -23.131 -10.396 6.637 196 HA THR 28 HA THR 28 -22.546 -9.488 9.415 197 HB THR 28 HB THR 28 -20.225 -10.423 8.946 198 HG1 THR 28 1HG THR 28 -19.917 -11.733 7.324 199 HG21 THR 28 3HG2 THR 28 -21.858 -11.535 10.443 200 HG22 THR 28 1HG2 THR 28 -20.792 -12.661 9.589 201 HG23 THR 28 2HG2 THR 28 -22.480 -12.466 9.061 202 H VAL 29 H VAL 29 -20.130 -8.370 9.167 203 HA VAL 29 HA VAL 29 -20.184 -6.519 6.916 204 HB VAL 29 HB VAL 29 -19.794 -4.642 8.432 205 HG11 VAL 29 1HG1 VAL 29 -22.119 -5.141 7.679 206 HG12 VAL 29 2HG1 VAL 29 -22.395 -6.044 9.191 207 HG13 VAL 29 3HG1 VAL 29 -22.063 -4.309 9.242 208 HG21 VAL 29 3HG2 VAL 29 -18.869 -5.819 10.396 209 HG22 VAL 29 1HG2 VAL 29 -20.218 -4.768 10.820 210 HG23 VAL 29 2HG2 VAL 29 -20.473 -6.522 10.738 211 H GLN 30 H GLN 30 -18.076 -5.489 6.632 212 HA GLN 30 HA GLN 30 -15.870 -7.152 7.750 213 HB2 GLN 30 1HB GLN 30 -14.668 -6.750 5.673 214 HB3 GLN 30 2HB GLN 30 -16.176 -7.640 5.447 215 HG2 GLN 30 1HG GLN 30 -17.272 -5.761 4.472 216 HG3 GLN 30 2HG GLN 30 -16.002 -4.639 4.988 217 HE21 GLN 30 1HE2 GLN 30 -15.852 -7.884 3.294 218 HE22 GLN 30 2HE2 GLN 30 -14.984 -7.216 1.923 219 H VAL 31 H VAL 31 -13.783 -6.095 7.764 220 HA VAL 31 HA VAL 31 -13.975 -3.425 9.015 221 HB VAL 31 HB VAL 31 -11.659 -3.921 9.745 222 HG11 VAL 31 1HG1 VAL 31 -12.166 -5.733 11.289 223 HG12 VAL 31 2HG1 VAL 31 -13.563 -4.658 11.126 224 HG13 VAL 31 3HG1 VAL 31 -13.560 -6.233 10.309 225 HG21 VAL 31 3HG2 VAL 31 -11.951 -6.507 8.163 226 HG22 VAL 31 1HG2 VAL 31 -10.769 -5.208 7.924 227 HG23 VAL 31 2HG2 VAL 31 -10.714 -6.199 9.387 228 H ALA 32 H ALA 32 -11.778 -2.131 8.491 229 HA ALA 32 HA ALA 32 -11.566 -1.873 5.523 230 HB1 ALA 32 1HB ALA 32 -12.827 -0.016 6.586 231 HB2 ALA 32 2HB ALA 32 -11.450 0.292 7.672 232 HB3 ALA 32 3HB ALA 32 -11.283 0.543 5.925 233 H GLY 33 H GLY 33 -9.460 -0.976 4.827 234 HA2 GLY 33 1HA GLY 33 -7.256 -2.369 6.119 235 HA3 GLY 33 2HA GLY 33 -7.165 -1.328 4.682 236 H ARG 34 H ARG 34 -5.191 -1.164 6.614 237 HA ARG 34 HA ARG 34 -5.692 1.506 7.878 238 HB2 ARG 34 1HB ARG 34 -3.916 0.694 9.621 239 HB3 ARG 34 2HB ARG 34 -5.596 0.219 9.768 240 HG2 ARG 34 1HG ARG 34 -4.209 -1.657 10.304 241 HG3 ARG 34 2HG ARG 34 -5.090 -2.012 8.822 242 HD2 ARG 34 1HD ARG 34 -3.025 -1.359 7.520 243 HD3 ARG 34 2HD ARG 34 -2.175 -1.175 9.076 244 HE ARG 34 HE ARG 34 -3.344 -3.730 9.036 245 HH11 ARG 34 1HH1 ARG 34 -0.975 -2.018 6.992 246 HH12 ARG 34 2HH1 ARG 34 -0.081 -3.439 6.617 247 HH21 ARG 34 1HH2 ARG 34 -2.289 -5.637 8.334 248 HH22 ARG 34 2HH2 ARG 34 -1.036 -5.513 7.133 249 H LYS 35 H LYS 35 -3.650 2.808 8.233 250 HA LYS 35 HA LYS 35 -1.324 2.180 6.692 251 HB2 LYS 35 1HB LYS 35 -1.489 4.028 5.134 252 HB3 LYS 35 2HB LYS 35 -2.790 2.898 4.812 253 HG2 LYS 35 1HG LYS 35 -4.432 4.353 5.862 254 HG3 LYS 35 2HG LYS 35 -3.185 5.434 6.484 255 HD2 LYS 35 1HD LYS 35 -3.830 5.017 3.535 256 HD3 LYS 35 2HD LYS 35 -4.297 6.395 4.541 257 HE2 LYS 35 1HE LYS 35 -1.751 6.657 5.048 258 HE3 LYS 35 2HE LYS 35 -1.492 5.568 3.675 259 HZ1 LYS 35 3HZ LYS 35 -2.785 8.202 3.660 260 HZ2 LYS 35 1HZ LYS 35 -2.736 7.207 2.327 261 HZ3 LYS 35 2HZ LYS 35 -1.343 7.774 2.947 262 H ASP 36 H ASP 36 0.045 4.399 6.676 263 HA ASP 36 HA ASP 36 1.109 5.975 7.761 264 HB2 ASP 36 1HB ASP 36 -1.181 7.044 7.843 265 HB3 ASP 36 2HB ASP 36 -1.291 6.505 9.512 266 H TYR 37 H TYR 37 -0.773 4.146 10.156 267 HA TYR 37 HA TYR 37 1.137 4.187 12.233 268 HB2 TYR 37 1HB TYR 37 -0.520 1.716 12.082 269 HB3 TYR 37 2HB TYR 37 -0.249 2.775 13.386 270 HD1 TYR 37 2HD TYR 37 -1.395 5.200 13.203 271 HD2 TYR 37 1HD TYR 37 -2.602 1.662 11.074 272 HE1 TYR 37 2HE TYR 37 -3.675 6.135 12.963 273 HE2 TYR 37 1HE TYR 37 -4.900 2.581 10.816 274 HH TYR 37 HH TYR 37 -5.783 5.814 12.113 275 HA PRO 38 HA PRO 38 2.998 0.066 10.663 276 HB2 PRO 38 1HB PRO 38 2.370 -0.975 8.205 277 HB3 PRO 38 2HB PRO 38 1.423 -1.325 9.677 278 HG2 PRO 38 1HG PRO 38 0.839 0.799 7.570 279 HG3 PRO 38 2HG PRO 38 -0.279 -0.433 8.225 280 HD2 PRO 38 1HD PRO 38 -0.251 2.067 9.195 281 HD3 PRO 38 2HD PRO 38 -0.429 0.671 10.281 282 H ALA 39 H ALA 39 4.988 0.972 10.363 283 HA ALA 39 HA ALA 39 5.788 1.887 7.683 284 HB1 ALA 39 1HB ALA 39 5.115 3.904 9.101 285 HB2 ALA 39 2HB ALA 39 6.445 3.482 10.196 286 HB3 ALA 39 3HB ALA 39 6.789 3.906 8.503 287 H LEU 40 H LEU 40 8.186 1.958 7.589 288 HA LEU 40 HA LEU 40 10.182 0.805 7.685 289 HB2 LEU 40 1HB LEU 40 9.803 1.282 10.646 290 HB3 LEU 40 2HB LEU 40 11.332 0.917 9.840 291 HG LEU 40 HG LEU 40 9.676 3.452 9.504 292 HD11 LEU 40 1HD1 LEU 40 10.779 3.297 11.664 293 HD12 LEU 40 2HD1 LEU 40 11.624 4.487 10.676 294 HD13 LEU 40 3HD1 LEU 40 12.320 2.866 10.907 295 HD21 LEU 40 3HD2 LEU 40 11.671 4.277 8.211 296 HD22 LEU 40 1HD2 LEU 40 10.753 3.020 7.388 297 HD23 LEU 40 2HD2 LEU 40 12.290 2.609 8.186 298 H LEU 41 H LEU 41 8.313 -0.934 7.280 299 HA LEU 41 HA LEU 41 7.804 -3.014 9.063 300 HB2 LEU 41 1HB LEU 41 7.106 -4.293 7.102 301 HB3 LEU 41 2HB LEU 41 6.550 -2.636 7.096 302 HG LEU 41 HG LEU 41 8.595 -2.176 5.497 303 HD11 LEU 41 1HD1 LEU 41 9.746 -4.358 5.623 304 HD12 LEU 41 2HD1 LEU 41 9.089 -4.119 4.014 305 HD13 LEU 41 3HD1 LEU 41 8.257 -5.192 5.150 306 HD21 LEU 41 3HD2 LEU 41 7.178 -2.860 3.592 307 HD22 LEU 41 1HD2 LEU 41 6.254 -2.017 4.850 308 HD23 LEU 41 2HD2 LEU 41 6.143 -3.783 4.704 309 HA PRO 42 HA PRO 42 11.511 -5.409 9.301 310 HB2 PRO 42 1HB PRO 42 10.630 -7.849 10.037 311 HB3 PRO 42 2HB PRO 42 10.373 -6.421 11.072 312 HG2 PRO 42 1HG PRO 42 8.406 -7.640 9.085 313 HG3 PRO 42 2HG PRO 42 8.106 -7.244 10.804 314 HD2 PRO 42 1HD PRO 42 7.447 -5.534 8.804 315 HD3 PRO 42 2HD PRO 42 8.048 -4.936 10.374 316 H LEU 43 H LEU 43 12.771 -7.027 8.117 317 HA LEU 43 HA LEU 43 11.503 -8.198 5.706 318 HB2 LEU 43 1HB LEU 43 14.077 -6.570 5.855 319 HB3 LEU 43 2HB LEU 43 13.681 -7.664 4.531 320 HG LEU 43 HG LEU 43 12.153 -5.162 5.299 321 HD11 LEU 43 1HD1 LEU 43 12.981 -4.317 3.145 322 HD12 LEU 43 2HD1 LEU 43 13.749 -5.879 2.802 323 HD13 LEU 43 3HD1 LEU 43 14.372 -4.878 4.107 324 HD21 LEU 43 3HD2 LEU 43 11.539 -7.253 3.200 325 HD22 LEU 43 1HD2 LEU 43 10.891 -5.593 3.162 326 HD23 LEU 43 2HD2 LEU 43 10.502 -6.651 4.502 327 H ASN 44 H ASN 44 12.102 -10.172 5.271 328 HA ASN 44 HA ASN 44 13.495 -11.795 7.147 329 HB2 ASN 44 1HB ASN 44 11.738 -12.621 5.592 330 HB3 ASN 44 2HB ASN 44 12.803 -12.277 4.224 331 HD21 ASN 44 1HD2 ASN 44 12.208 -14.651 3.924 332 HD22 ASN 44 2HD2 ASN 44 13.251 -15.844 4.643 333 H GLU 45 H GLU 45 15.675 -11.485 7.508 334 HA GLU 45 HA GLU 45 17.414 -10.424 5.542 335 HB2 GLU 45 1HB GLU 45 19.265 -10.988 7.065 336 HB3 GLU 45 2HB GLU 45 17.952 -10.067 7.788 337 HG2 GLU 45 1HG GLU 45 17.086 -12.140 8.863 338 HG3 GLU 45 2HG GLU 45 18.472 -13.026 8.214 339 H SER 46 H SER 46 16.263 -13.695 5.830 340 HA SER 46 HA SER 46 18.508 -14.800 4.307 341 HB2 SER 46 1HB SER 46 15.806 -15.981 5.054 342 HB3 SER 46 2HB SER 46 17.179 -16.858 4.362 343 HG SER 46 HG SER 46 17.850 -17.090 6.273 344 H GLU 47 H GLU 47 15.921 -12.802 3.358 345 HA GLU 47 HA GLU 47 15.750 -14.148 0.693 346 HB2 GLU 47 1HB GLU 47 13.678 -13.919 2.217 347 HB3 GLU 47 2HB GLU 47 13.750 -12.200 1.879 348 HG2 GLU 47 1HG GLU 47 12.173 -13.155 0.370 349 HG3 GLU 47 2HG GLU 47 13.564 -12.845 -0.640 350 H LEU 48 H LEU 48 17.266 -11.551 2.200 351 HA LEU 48 HA LEU 48 16.859 -9.702 -0.106 352 HB2 LEU 48 1HB LEU 48 18.767 -9.274 2.207 353 HB3 LEU 48 2HB LEU 48 18.137 -8.106 1.047 354 HG LEU 48 HG LEU 48 16.768 -9.361 3.434 355 HD11 LEU 48 1HD1 LEU 48 16.822 -6.506 2.423 356 HD12 LEU 48 2HD1 LEU 48 17.992 -7.183 3.574 357 HD13 LEU 48 3HD1 LEU 48 16.274 -7.081 4.006 358 HD21 LEU 48 3HD2 LEU 48 14.624 -8.152 2.603 359 HD22 LEU 48 1HD2 LEU 48 14.992 -9.708 1.903 360 HD23 LEU 48 2HD2 LEU 48 15.371 -8.223 0.997 361 H GLU 49 H GLU 49 18.448 -9.411 -1.742 362 HA GLU 49 HA GLU 49 20.646 -11.426 -1.694 363 HB2 GLU 49 1HB GLU 49 19.139 -10.144 -3.994 364 HB3 GLU 49 2HB GLU 49 20.520 -11.250 -4.161 365 HG2 GLU 49 1HG GLU 49 19.262 -12.961 -2.819 366 HG3 GLU 49 2HG GLU 49 17.855 -11.898 -2.803 367 H GLU 50 H GLU 50 22.687 -10.742 -1.582 368 HA GLU 50 HA GLU 50 23.244 -7.845 -1.909 369 HB2 GLU 50 1HB GLU 50 24.952 -8.072 -0.296 370 HB3 GLU 50 2HB GLU 50 23.530 -8.870 0.370 371 HG2 GLU 50 1HG GLU 50 24.504 -11.101 -0.344 372 HG3 GLU 50 2HG GLU 50 25.952 -10.253 -0.915 373 H GLN 51 H GLN 51 25.435 -7.283 -2.569 374 HA GLN 51 HA GLN 51 26.814 -9.197 -4.342 375 HB2 GLN 51 1HB GLN 51 25.117 -7.409 -5.440 376 HB3 GLN 51 2HB GLN 51 26.519 -6.357 -5.230 377 HG2 GLN 51 1HG GLN 51 27.873 -7.844 -6.625 378 HG3 GLN 51 2HG GLN 51 26.462 -8.906 -6.842 379 HE21 GLN 51 1HE2 GLN 51 27.627 -7.778 -9.238 380 HE22 GLN 51 2HE2 GLN 51 26.436 -6.623 -9.810 381 H PHE 52 H PHE 52 28.933 -8.780 -4.367 382 HA PHE 52 HA PHE 52 30.045 -6.810 -2.402 383 HB2 PHE 52 1HB PHE 52 31.364 -9.260 -3.656 384 HB3 PHE 52 2HB PHE 52 32.048 -8.227 -2.412 385 HD1 PHE 52 2HD PHE 52 30.647 -8.015 -0.161 386 HD2 PHE 52 1HD PHE 52 30.227 -11.231 -3.019 387 HE1 PHE 52 2HE PHE 52 29.644 -9.453 1.585 388 HE2 PHE 52 1HE PHE 52 29.209 -12.650 -1.243 389 HZ PHE 52 HZ PHE 52 28.870 -11.745 1.027 390 H VAL 53 H VAL 53 31.009 -4.977 -3.333 391 HA VAL 53 HA VAL 53 31.407 -5.052 -6.260 392 HB VAL 53 HB VAL 53 31.825 -2.778 -4.335 393 HG11 VAL 53 1HG1 VAL 53 31.464 -2.812 -7.367 394 HG12 VAL 53 2HG1 VAL 53 31.609 -1.358 -6.354 395 HG13 VAL 53 3HG1 VAL 53 32.981 -2.461 -6.501 396 HG21 VAL 53 3HG2 VAL 53 29.471 -3.420 -4.214 397 HG22 VAL 53 1HG2 VAL 53 29.562 -1.997 -5.262 398 HG23 VAL 53 2HG2 VAL 53 29.382 -3.606 -5.978 399 H LYS 54 H LYS 54 33.080 -6.041 -6.765 400 HA LYS 54 HA LYS 54 35.549 -6.402 -5.304 401 HB2 LYS 54 1HB LYS 54 34.742 -7.111 -8.144 402 HB3 LYS 54 2HB LYS 54 36.296 -7.542 -7.422 403 HG2 LYS 54 1HG LYS 54 35.078 -8.752 -5.599 404 HG3 LYS 54 2HG LYS 54 33.554 -8.489 -6.447 405 HD2 LYS 54 1HD LYS 54 35.923 -9.855 -7.771 406 HD3 LYS 54 2HD LYS 54 34.848 -10.761 -6.726 407 HE2 LYS 54 1HE LYS 54 33.711 -9.180 -9.057 408 HE3 LYS 54 2HE LYS 54 34.498 -10.733 -9.339 409 HZ1 LYS 54 3HZ LYS 54 32.126 -11.016 -9.065 410 HZ2 LYS 54 1HZ LYS 54 32.143 -10.340 -7.585 411 HZ3 LYS 54 2HZ LYS 54 32.889 -11.769 -7.824 412 H GLY 55 H GLY 55 35.032 -3.558 -5.796 413 HA2 GLY 55 1HA GLY 55 36.482 -1.768 -6.116 414 HA3 GLY 55 2HA GLY 55 37.692 -2.907 -6.753 415 H HIS 56 H HIS 56 37.868 -3.188 -8.914 416 HA HIS 56 HA HIS 56 37.959 -2.622 -11.075 417 HB2 HIS 56 1HB HIS 56 34.960 -2.949 -10.852 418 HB3 HIS 56 2HB HIS 56 35.891 -3.039 -12.340 419 HD1 HIS 56 1HD HIS 56 38.019 -5.086 -12.066 420 HD2 HIS 56 2HD HIS 56 34.355 -5.314 -10.003 421 HE1 HIS 56 1HE HIS 56 37.693 -7.532 -11.433 422 H GLY 57 H GLY 57 37.109 -0.081 -9.222 423 HA2 GLY 57 1HA GLY 57 35.767 1.639 -11.006 424 HA3 GLY 57 2HA GLY 57 36.816 2.203 -9.705 425 HA PRO 58 HA PRO 58 38.880 2.428 -14.084 426 HB2 PRO 58 1HB PRO 58 38.062 4.888 -15.070 427 HB3 PRO 58 2HB PRO 58 37.228 3.341 -15.413 428 HG2 PRO 58 1HG PRO 58 36.572 5.355 -13.225 429 HG3 PRO 58 2HG PRO 58 35.451 4.637 -14.437 430 HD2 PRO 58 1HD PRO 58 35.629 3.634 -11.961 431 HD3 PRO 58 2HD PRO 58 35.558 2.509 -13.355 432 H GLY 59 H GLY 59 40.664 3.866 -14.629 433 HA2 GLY 59 1HA GLY 59 42.389 5.352 -14.168 434 HA3 GLY 59 2HA GLY 59 41.367 6.142 -12.952 435 H GLY 60 H GLY 60 42.803 2.857 -13.481 436 HA2 GLY 60 1HA GLY 60 44.572 2.784 -11.350 437 HA3 GLY 60 2HA GLY 60 43.025 2.048 -10.835 438 H GLN 61 H GLN 61 44.866 0.195 -10.922 439 HA GLN 61 HA GLN 61 44.591 -1.211 -13.532 440 HB2 GLN 61 1HB GLN 61 46.888 -0.361 -13.099 441 HB3 GLN 61 2HB GLN 61 46.920 -1.236 -11.564 442 HG2 GLN 61 1HG GLN 61 46.711 -3.387 -12.791 443 HG3 GLN 61 2HG GLN 61 46.627 -2.503 -14.323 444 HE21 GLN 61 1HE2 GLN 61 48.642 -2.794 -15.384 445 HE22 GLN 61 2HE2 GLN 61 50.167 -2.644 -14.532 446 H ALA 62 H ALA 62 45.125 -1.588 -9.981 447 HA ALA 62 HA ALA 62 43.045 -3.669 -9.897 448 HB1 ALA 62 1HB ALA 62 44.559 -5.282 -8.742 449 HB2 ALA 62 2HB ALA 62 45.031 -4.987 -10.423 450 HB3 ALA 62 3HB ALA 62 45.949 -4.229 -9.110 451 H THR 63 H THR 63 45.299 -3.634 -7.284 452 HA THR 63 HA THR 63 43.587 -2.933 -5.332 453 HB THR 63 HB THR 63 46.548 -2.380 -5.098 454 HG1 THR 63 1HG THR 63 46.824 -4.686 -5.046 455 HG21 THR 63 3HG2 THR 63 45.190 -2.359 -3.028 456 HG22 THR 63 1HG2 THR 63 46.317 -3.718 -3.026 457 HG23 THR 63 2HG2 THR 63 44.598 -3.994 -3.384 458 H ASN 64 H ASN 64 45.022 -0.657 -7.488 459 HA ASN 64 HA ASN 64 45.403 1.628 -5.934 460 HB2 ASN 64 1HB ASN 64 44.147 1.807 -8.678 461 HB3 ASN 64 2HB ASN 64 45.297 2.901 -7.928 462 HD21 ASN 64 1HD2 ASN 64 47.610 2.453 -8.305 463 HD22 ASN 64 2HD2 ASN 64 48.085 1.054 -9.236 464 H LYS 65 H LYS 65 42.326 0.148 -6.886 465 HA LYS 65 HA LYS 65 40.925 2.368 -5.468 466 HB2 LYS 65 1HB LYS 65 40.152 1.226 -8.174 467 HB3 LYS 65 2HB LYS 65 39.005 2.008 -7.084 468 HG2 LYS 65 1HG LYS 65 40.916 3.911 -7.006 469 HG3 LYS 65 2HG LYS 65 41.288 3.250 -8.603 470 HD2 LYS 65 1HD LYS 65 39.009 3.749 -9.365 471 HD3 LYS 65 2HD LYS 65 38.497 4.089 -7.706 472 HE2 LYS 65 1HE LYS 65 38.721 6.209 -8.614 473 HE3 LYS 65 2HE LYS 65 40.184 5.990 -7.642 474 HZ1 LYS 65 3HZ LYS 65 40.662 6.950 -9.818 475 HZ2 LYS 65 1HZ LYS 65 39.973 5.661 -10.574 476 HZ3 LYS 65 2HZ LYS 65 41.353 5.458 -9.759 477 H THR 66 H THR 66 41.697 0.448 -3.946 478 HA THR 66 HA THR 66 39.754 -1.723 -3.807 479 HB THR 66 HB THR 66 41.843 -0.859 -1.766 480 HG1 THR 66 1HG THR 66 42.912 -1.431 -3.597 481 HG21 THR 66 3HG2 THR 66 41.691 -3.223 -1.023 482 HG22 THR 66 1HG2 THR 66 40.382 -3.517 -2.186 483 HG23 THR 66 2HG2 THR 66 40.131 -2.414 -0.817 484 H SER 67 H SER 67 37.924 -0.288 -3.935 485 HA SER 67 HA SER 67 37.213 1.377 -1.604 486 HB2 SER 67 1HB SER 67 36.744 1.980 -4.066 487 HB3 SER 67 2HB SER 67 35.524 0.689 -4.047 488 HG SER 67 HG SER 67 34.611 2.715 -3.501 489 H ASN 68 H ASN 68 34.583 0.836 -1.162 490 HA ASN 68 HA ASN 68 34.114 -2.045 -0.951 491 HB2 ASN 68 1HB ASN 68 35.528 -1.388 1.078 492 HB3 ASN 68 2HB ASN 68 34.156 -0.375 1.581 493 HD21 ASN 68 1HD2 ASN 68 35.513 -3.338 2.166 494 HD22 ASN 68 2HD2 ASN 68 34.049 -4.213 2.513 495 H CYS 69 H CYS 69 31.930 -2.280 -1.363 496 HA CYS 69 HA CYS 69 30.020 -0.342 -0.380 497 HB2 CYS 69 1HB CYS 69 29.907 -1.038 -3.326 498 HB3 CYS 69 2HB CYS 69 29.058 0.234 -2.459 499 HG CYS 69 HG CYS 69 31.614 1.312 -1.855 500 H VAL 70 H VAL 70 27.904 -1.338 -0.387 501 HA VAL 70 HA VAL 70 27.830 -4.240 -1.096 502 HB VAL 70 HB VAL 70 26.508 -2.861 1.287 503 HG11 VAL 70 1HG1 VAL 70 25.054 -4.622 0.383 504 HG12 VAL 70 2HG1 VAL 70 26.426 -5.753 0.303 505 HG13 VAL 70 3HG1 VAL 70 25.804 -5.216 1.867 506 HG21 VAL 70 3HG2 VAL 70 28.915 -3.267 1.713 507 HG22 VAL 70 1HG2 VAL 70 27.915 -4.376 2.676 508 HG23 VAL 70 2HG2 VAL 70 28.724 -4.951 1.211 509 H VAL 71 H VAL 71 26.318 -4.645 -2.609 510 HA VAL 71 HA VAL 71 24.310 -2.534 -3.228 511 HB VAL 71 HB VAL 71 25.214 -4.814 -4.987 512 HG11 VAL 71 1HG1 VAL 71 24.118 -3.516 -6.794 513 HG12 VAL 71 2HG1 VAL 71 23.010 -4.135 -5.574 514 HG13 VAL 71 3HG1 VAL 71 23.455 -2.424 -5.559 515 HG21 VAL 71 3HG2 VAL 71 26.421 -3.068 -6.319 516 HG22 VAL 71 1HG2 VAL 71 26.171 -1.932 -4.973 517 HG23 VAL 71 2HG2 VAL 71 27.129 -3.403 -4.742 518 H LEU 72 H LEU 72 22.667 -3.028 -1.840 519 HA LEU 72 HA LEU 72 21.902 -5.892 -1.457 520 HB2 LEU 72 1HB LEU 72 22.210 -4.362 0.547 521 HB3 LEU 72 2HB LEU 72 20.829 -3.436 -0.052 522 HG LEU 72 HG LEU 72 19.483 -5.642 0.036 523 HD11 LEU 72 1HD1 LEU 72 20.361 -7.288 1.756 524 HD12 LEU 72 2HD1 LEU 72 21.943 -6.532 1.599 525 HD13 LEU 72 3HD1 LEU 72 21.218 -7.342 0.197 526 HD21 LEU 72 3HD2 LEU 72 19.083 -5.404 2.407 527 HD22 LEU 72 1HD2 LEU 72 19.350 -3.810 1.685 528 HD23 LEU 72 2HD2 LEU 72 20.643 -4.579 2.623 529 H LYS 73 H LYS 73 19.972 -6.633 -2.278 530 HA LYS 73 HA LYS 73 18.237 -4.752 -3.808 531 HB2 LYS 73 1HB LYS 73 19.796 -5.698 -5.353 532 HB3 LYS 73 2HB LYS 73 19.620 -7.308 -4.700 533 HG2 LYS 73 1HG LYS 73 17.153 -6.042 -5.897 534 HG3 LYS 73 2HG LYS 73 18.476 -6.447 -6.969 535 HD2 LYS 73 1HD LYS 73 18.394 -8.825 -5.755 536 HD3 LYS 73 2HD LYS 73 16.760 -8.310 -5.341 537 HE2 LYS 73 1HE LYS 73 16.498 -9.476 -7.374 538 HE3 LYS 73 2HE LYS 73 16.494 -7.771 -7.867 539 HZ1 LYS 73 3HZ LYS 73 17.950 -8.994 -9.308 540 HZ2 LYS 73 1HZ LYS 73 18.745 -9.698 -8.061 541 HZ3 LYS 73 2HZ LYS 73 18.922 -8.090 -8.371 542 H HIS 74 H HIS 74 16.124 -5.230 -3.807 543 HA HIS 74 HA HIS 74 15.203 -7.324 -1.910 544 HB2 HIS 74 1HB HIS 74 14.465 -4.730 -1.981 545 HB3 HIS 74 2HB HIS 74 13.354 -5.325 -3.201 546 HD1 HIS 74 1HD HIS 74 11.080 -6.368 -2.021 547 HD2 HIS 74 2HD HIS 74 14.538 -6.260 0.396 548 HE1 HIS 74 1HE HIS 74 10.432 -7.315 0.223 549 H VAL 75 H VAL 75 14.119 -9.108 -2.686 550 HA VAL 75 HA VAL 75 14.193 -9.642 -5.497 551 HB VAL 75 HB VAL 75 13.160 -11.199 -3.095 552 HG11 VAL 75 1HG1 VAL 75 13.091 -13.162 -4.531 553 HG12 VAL 75 2HG1 VAL 75 11.955 -11.950 -5.135 554 HG13 VAL 75 3HG1 VAL 75 13.529 -12.181 -5.940 555 HG21 VAL 75 3HG2 VAL 75 15.670 -11.427 -4.768 556 HG22 VAL 75 1HG2 VAL 75 15.578 -10.844 -3.100 557 HG23 VAL 75 2HG2 VAL 75 15.192 -12.526 -3.458 558 HA PRO 76 HA PRO 76 9.433 -9.488 -5.630 559 HB2 PRO 76 1HB PRO 76 7.907 -8.806 -3.470 560 HB3 PRO 76 2HB PRO 76 8.560 -10.463 -3.702 561 HG2 PRO 76 1HG PRO 76 9.847 -8.173 -2.152 562 HG3 PRO 76 2HG PRO 76 9.388 -9.795 -1.496 563 HD2 PRO 76 1HD PRO 76 11.862 -9.349 -2.339 564 HD3 PRO 76 2HD PRO 76 11.029 -10.839 -2.892 565 H SER 77 H SER 77 11.267 -6.951 -4.338 566 HA SER 77 HA SER 77 9.230 -4.914 -5.212 567 HB2 SER 77 1HB SER 77 9.783 -4.962 -2.750 568 HB3 SER 77 2HB SER 77 11.433 -4.490 -3.177 569 HG SER 77 HG SER 77 9.199 -2.936 -3.908 570 H GLY 78 H GLY 78 12.446 -6.232 -5.718 571 HA2 GLY 78 1HA GLY 78 13.987 -5.804 -7.295 572 HA3 GLY 78 2HA GLY 78 12.821 -4.763 -8.100 573 H ILE 79 H ILE 79 13.057 -3.401 -5.107 574 HA ILE 79 HA ILE 79 14.539 -1.132 -5.957 575 HB ILE 79 HB ILE 79 13.813 -2.120 -3.161 576 HG12 ILE 79 1HG1 ILE 79 12.426 -0.194 -5.074 577 HG13 ILE 79 2HG1 ILE 79 11.855 -1.763 -4.568 578 HG21 ILE 79 1HG2 ILE 79 14.193 0.098 -2.310 579 HG22 ILE 79 2HG2 ILE 79 15.675 -0.385 -3.127 580 HG23 ILE 79 3HG2 ILE 79 14.546 0.735 -3.924 581 HD11 ILE 79 3HD1 ILE 79 12.021 0.760 -2.902 582 HD12 ILE 79 1HD1 ILE 79 10.613 -0.217 -3.296 583 HD13 ILE 79 2HD1 ILE 79 11.812 -0.852 -2.169 584 H VAL 80 H VAL 80 16.697 -0.583 -5.707 585 HA VAL 80 HA VAL 80 18.487 -2.555 -4.398 586 HB VAL 80 HB VAL 80 19.135 -1.069 -6.971 587 HG11 VAL 80 1HG1 VAL 80 20.484 -3.423 -5.583 588 HG12 VAL 80 2HG1 VAL 80 20.968 -2.718 -7.137 589 HG13 VAL 80 3HG1 VAL 80 21.101 -1.760 -5.670 590 HG21 VAL 80 3HG2 VAL 80 18.073 -3.907 -6.653 591 HG22 VAL 80 1HG2 VAL 80 17.390 -2.569 -7.610 592 HG23 VAL 80 2HG2 VAL 80 18.892 -3.308 -8.110 593 H VAL 81 H VAL 81 20.312 -1.612 -3.410 594 HA VAL 81 HA VAL 81 20.517 1.305 -3.448 595 HB VAL 81 HB VAL 81 18.840 0.712 -1.713 596 HG11 VAL 81 1HG1 VAL 81 19.955 -1.380 -0.874 597 HG12 VAL 81 2HG1 VAL 81 21.149 -0.332 -0.055 598 HG13 VAL 81 3HG1 VAL 81 19.412 -0.242 0.365 599 HG21 VAL 81 3HG2 VAL 81 20.179 2.777 -1.752 600 HG22 VAL 81 1HG2 VAL 81 19.573 2.352 -0.173 601 HG23 VAL 81 2HG2 VAL 81 21.290 2.067 -0.573 602 H LYS 82 H LYS 82 22.531 1.996 -3.057 603 HA LYS 82 HA LYS 82 24.668 -0.082 -2.793 604 HB2 LYS 82 1HB LYS 82 24.563 2.398 -4.587 605 HB3 LYS 82 2HB LYS 82 25.999 1.413 -4.287 606 HG2 LYS 82 1HG LYS 82 25.321 0.368 -6.200 607 HG3 LYS 82 2HG LYS 82 24.427 -0.569 -5.029 608 HD2 LYS 82 1HD LYS 82 22.898 -0.172 -6.762 609 HD3 LYS 82 2HD LYS 82 22.394 0.908 -5.489 610 HE2 LYS 82 1HE LYS 82 22.261 2.007 -7.644 611 HE3 LYS 82 2HE LYS 82 23.458 2.821 -6.626 612 HZ1 LYS 82 3HZ LYS 82 24.214 0.782 -8.611 613 HZ2 LYS 82 1HZ LYS 82 25.186 1.914 -7.869 614 HZ3 LYS 82 2HZ LYS 82 24.090 2.364 -9.009 615 H CYS 83 H CYS 83 25.417 0.170 -0.776 616 HA CYS 83 HA CYS 83 25.671 2.968 0.261 617 HB2 CYS 83 1HB CYS 83 25.228 0.356 1.745 618 HB3 CYS 83 2HB CYS 83 25.549 1.933 2.515 619 HG CYS 83 HG CYS 83 23.566 3.093 0.904 620 H HIS 84 H HIS 84 27.545 3.713 0.835 621 HA HIS 84 HA HIS 84 29.915 2.061 1.303 622 HB2 HIS 84 1HB HIS 84 31.109 3.794 -0.236 623 HB3 HIS 84 2HB HIS 84 30.329 2.373 -0.907 624 HD1 HIS 84 1HD HIS 84 29.186 6.039 -0.304 625 HD2 HIS 84 2HD HIS 84 28.758 2.748 -2.864 626 HE1 HIS 84 1HE HIS 84 27.667 6.822 -2.233 627 H GLN 85 H GLN 85 30.364 2.799 3.340 628 HA GLN 85 HA GLN 85 30.405 5.738 3.871 629 HB2 GLN 85 1HB GLN 85 28.279 4.578 4.726 630 HB3 GLN 85 2HB GLN 85 29.323 3.642 5.797 631 HG2 GLN 85 1HG GLN 85 30.130 5.929 6.727 632 HG3 GLN 85 2HG GLN 85 28.809 6.633 5.796 633 HE21 GLN 85 1HE2 GLN 85 29.681 5.107 8.757 634 HE22 GLN 85 2HE2 GLN 85 28.059 4.889 9.396 635 H THR 86 H THR 86 31.814 2.520 4.272 636 HA THR 86 HA THR 86 34.240 3.655 5.388 637 HB THR 86 HB THR 86 33.292 3.397 7.483 638 HG1 THR 86 1HG THR 86 33.968 1.390 8.383 639 HG21 THR 86 3HG2 THR 86 31.785 1.615 8.229 640 HG22 THR 86 1HG2 THR 86 31.770 0.927 6.579 641 HG23 THR 86 2HG2 THR 86 31.079 2.530 6.931 642 H ARG 87 H ARG 87 35.781 1.605 5.702 643 HA ARG 87 HA ARG 87 35.576 0.071 3.145 644 HB2 ARG 87 1HB ARG 87 37.770 1.296 4.192 645 HB3 ARG 87 2HB ARG 87 37.952 -0.327 4.883 646 HG2 ARG 87 1HG ARG 87 37.463 -1.182 2.458 647 HG3 ARG 87 2HG ARG 87 37.714 0.485 1.945 648 HD2 ARG 87 1HD ARG 87 39.673 -1.360 3.340 649 HD3 ARG 87 2HD ARG 87 39.724 -0.869 1.647 650 HE ARG 87 HE ARG 87 40.550 0.628 4.018 651 HH11 ARG 87 1HH1 ARG 87 39.953 0.869 0.476 652 HH12 ARG 87 2HH1 ARG 87 40.810 2.344 0.317 653 HH21 ARG 87 1HH2 ARG 87 41.729 2.577 3.748 654 HH22 ARG 87 2HH2 ARG 87 41.869 3.326 2.206 655 H SER 88 H SER 88 34.506 -0.329 6.331 656 HA SER 88 HA SER 88 35.118 -3.168 6.587 657 HB2 SER 88 1HB SER 88 33.270 -1.195 7.949 658 HB3 SER 88 2HB SER 88 33.522 -2.830 8.547 659 HG SER 88 HG SER 88 34.780 -0.893 9.373 660 H VAL 89 H VAL 89 34.012 -4.566 5.204 661 HA VAL 89 HA VAL 89 31.656 -3.837 3.793 662 HB VAL 89 HB VAL 89 33.243 -5.598 3.109 663 HG11 VAL 89 1HG1 VAL 89 33.186 -7.851 3.973 664 HG12 VAL 89 2HG1 VAL 89 33.637 -6.747 5.275 665 HG13 VAL 89 3HG1 VAL 89 31.989 -7.417 5.197 666 HG21 VAL 89 3HG2 VAL 89 30.378 -6.575 3.326 667 HG22 VAL 89 1HG2 VAL 89 31.022 -5.471 2.094 668 HG23 VAL 89 2HG2 VAL 89 31.599 -7.143 2.174 669 H ASP 90 H ASP 90 32.130 -5.539 6.898 670 HA ASP 90 HA ASP 90 29.480 -6.172 7.358 671 HB2 ASP 90 1HB ASP 90 31.846 -5.855 9.166 672 HB3 ASP 90 2HB ASP 90 30.246 -6.103 9.868 673 H GLN 91 H GLN 91 30.931 -3.039 7.598 674 HA GLN 91 HA GLN 91 28.794 -1.998 9.336 675 HB2 GLN 91 1HB GLN 91 31.239 -0.840 7.977 676 HB3 GLN 91 2HB GLN 91 29.990 0.126 8.697 677 HG2 GLN 91 1HG GLN 91 30.381 -1.000 10.909 678 HG3 GLN 91 2HG GLN 91 31.687 -1.931 10.177 679 HE21 GLN 91 1HE2 GLN 91 30.919 1.038 11.819 680 HE22 GLN 91 2HE2 GLN 91 32.467 1.803 11.539 681 H ASN 92 H ASN 92 29.997 -1.737 5.950 682 HA ASN 92 HA ASN 92 28.016 0.055 4.976 683 HB2 ASN 92 1HB ASN 92 29.643 -2.091 3.578 684 HB3 ASN 92 2HB ASN 92 28.538 -0.998 2.731 685 HD21 ASN 92 1HD2 ASN 92 31.487 -1.229 2.386 686 HD22 ASN 92 2HD2 ASN 92 32.104 0.349 2.814 687 H ARG 93 H ARG 93 28.042 -3.542 5.074 688 HA ARG 93 HA ARG 93 25.641 -3.915 3.679 689 HB2 ARG 93 1HB ARG 93 25.529 -6.074 4.657 690 HB3 ARG 93 2HB ARG 93 27.208 -5.736 4.206 691 HG2 ARG 93 1HG ARG 93 27.647 -5.231 6.572 692 HG3 ARG 93 2HG ARG 93 26.032 -5.759 6.944 693 HD2 ARG 93 1HD ARG 93 28.061 -7.618 5.656 694 HD3 ARG 93 2HD ARG 93 27.956 -7.344 7.395 695 HE ARG 93 HE ARG 93 25.634 -8.402 5.930 696 HH11 ARG 93 1HH1 ARG 93 28.174 -8.929 8.430 697 HH12 ARG 93 2HH1 ARG 93 27.255 -10.078 9.288 698 HH21 ARG 93 1HH2 ARG 93 24.588 -10.275 6.917 699 HH22 ARG 93 2HH2 ARG 93 25.293 -10.984 8.286 700 H LYS 94 H LYS 94 26.045 -3.496 7.156 701 HA LYS 94 HA LYS 94 23.218 -3.877 7.641 702 HB2 LYS 94 1HB LYS 94 23.468 -3.443 9.824 703 HB3 LYS 94 2HB LYS 94 25.090 -3.957 9.385 704 HG2 LYS 94 1HG LYS 94 25.707 -1.467 9.280 705 HG3 LYS 94 2HG LYS 94 24.084 -1.112 9.882 706 HD2 LYS 94 1HD LYS 94 25.488 -1.086 11.779 707 HD3 LYS 94 2HD LYS 94 24.590 -2.606 11.867 708 HE2 LYS 94 1HE LYS 94 26.570 -3.774 10.799 709 HE3 LYS 94 2HE LYS 94 27.456 -2.239 10.870 710 HZ1 LYS 94 3HZ LYS 94 27.906 -3.709 12.759 711 HZ2 LYS 94 1HZ LYS 94 26.329 -3.694 13.161 712 HZ3 LYS 94 2HZ LYS 94 27.212 -2.284 13.264 713 H ILE 95 H ILE 95 25.041 -0.941 6.857 714 HA ILE 95 HA ILE 95 22.949 0.922 7.312 715 HB ILE 95 HB ILE 95 25.303 0.939 5.374 716 HG12 ILE 95 1HG1 ILE 95 25.049 2.662 7.855 717 HG13 ILE 95 2HG1 ILE 95 25.570 0.991 8.029 718 HG21 ILE 95 1HG2 ILE 95 24.980 3.417 5.215 719 HG22 ILE 95 2HG2 ILE 95 23.662 2.511 4.482 720 HG23 ILE 95 3HG2 ILE 95 23.444 3.244 6.078 721 HD11 ILE 95 3HD1 ILE 95 27.470 2.551 7.875 722 HD12 ILE 95 1HD1 ILE 95 27.483 1.375 6.556 723 HD13 ILE 95 2HD1 ILE 95 26.946 3.026 6.247 724 H ALA 96 H ALA 96 23.959 -0.890 4.368 725 HA ALA 96 HA ALA 96 21.970 0.007 2.639 726 HB1 ALA 96 1HB ALA 96 22.471 -1.953 1.300 727 HB2 ALA 96 2HB ALA 96 23.986 -1.413 2.047 728 HB3 ALA 96 3HB ALA 96 23.125 -2.820 2.700 729 H ARG 97 H ARG 97 21.731 -2.647 5.037 730 HA ARG 97 HA ARG 97 19.197 -3.572 4.200 731 HB2 ARG 97 1HB ARG 97 20.942 -4.562 5.897 732 HB3 ARG 97 2HB ARG 97 20.089 -3.585 7.089 733 HG2 ARG 97 1HG ARG 97 17.935 -4.713 6.267 734 HG3 ARG 97 2HG ARG 97 18.936 -5.765 5.303 735 HD2 ARG 97 1HD ARG 97 19.376 -5.426 8.305 736 HD3 ARG 97 2HD ARG 97 18.219 -6.593 7.682 737 HE ARG 97 HE ARG 97 21.088 -6.849 7.753 738 HH11 ARG 97 1HH1 ARG 97 18.215 -7.970 5.864 739 HH12 ARG 97 2HH1 ARG 97 19.236 -9.089 4.962 740 HH21 ARG 97 1HH2 ARG 97 21.985 -8.873 6.992 741 HH22 ARG 97 2HH2 ARG 97 21.229 -9.616 5.610 742 H LYS 98 H LYS 98 19.940 -1.180 6.844 743 HA LYS 98 HA LYS 98 17.182 -0.701 7.273 744 HB2 LYS 98 1HB LYS 98 17.796 1.245 8.610 745 HB3 LYS 98 2HB LYS 98 18.588 -0.243 9.035 746 HG2 LYS 98 1HG LYS 98 20.242 1.321 9.346 747 HG3 LYS 98 2HG LYS 98 20.665 0.564 7.836 748 HD2 LYS 98 1HD LYS 98 21.057 2.967 7.721 749 HD3 LYS 98 2HD LYS 98 19.780 2.539 6.601 750 HE2 LYS 98 1HE LYS 98 19.201 4.580 7.687 751 HE3 LYS 98 2HE LYS 98 18.067 3.337 8.196 752 HZ1 LYS 98 3HZ LYS 98 20.369 4.258 9.823 753 HZ2 LYS 98 1HZ LYS 98 19.201 3.197 10.290 754 HZ3 LYS 98 2HZ LYS 98 18.812 4.756 10.005 755 H VAL 99 H VAL 99 19.384 1.016 4.972 756 HA VAL 99 HA VAL 99 17.278 2.911 4.360 757 HB VAL 99 HB VAL 99 19.677 3.337 4.023 758 HG11 VAL 99 1HG1 VAL 99 19.504 1.366 1.790 759 HG12 VAL 99 2HG1 VAL 99 20.767 2.614 1.945 760 HG13 VAL 99 3HG1 VAL 99 20.563 1.400 3.200 761 HG21 VAL 99 3HG2 VAL 99 19.428 4.583 1.888 762 HG22 VAL 99 1HG2 VAL 99 17.981 3.639 1.480 763 HG23 VAL 99 2HG2 VAL 99 17.971 4.727 2.863 764 H LEU 100 H LEU 100 17.977 -0.396 3.316 765 HA LEU 100 HA LEU 100 16.380 -0.240 0.936 766 HB2 LEU 100 1HB LEU 100 18.019 -2.028 1.240 767 HB3 LEU 100 2HB LEU 100 17.017 -2.727 2.521 768 HG LEU 100 HG LEU 100 15.204 -3.156 0.932 769 HD11 LEU 100 1HD1 LEU 100 16.975 -1.750 -1.131 770 HD12 LEU 100 2HD1 LEU 100 15.316 -1.293 -0.620 771 HD13 LEU 100 3HD1 LEU 100 15.583 -2.757 -1.542 772 HD21 LEU 100 3HD2 LEU 100 17.854 -3.988 -0.310 773 HD22 LEU 100 1HD2 LEU 100 16.295 -4.812 -0.489 774 HD23 LEU 100 2HD2 LEU 100 17.086 -4.775 1.086 775 H GLN 101 H GLN 101 15.743 -1.264 4.288 776 HA GLN 101 HA GLN 101 13.016 -1.841 4.035 777 HB2 GLN 101 1HB GLN 101 14.722 -0.845 6.340 778 HB3 GLN 101 2HB GLN 101 12.990 -1.187 6.538 779 HG2 GLN 101 1HG GLN 101 13.330 -3.441 5.709 780 HG3 GLN 101 2HG GLN 101 15.060 -3.158 5.486 781 HE21 GLN 101 1HE2 GLN 101 12.539 -3.952 7.772 782 HE22 GLN 101 2HE2 GLN 101 13.721 -4.428 9.006 783 H GLU 102 H GLU 102 14.531 1.428 4.529 784 HA GLU 102 HA GLU 102 12.098 2.816 5.046 785 HB2 GLU 102 1HB GLU 102 14.608 3.660 3.527 786 HB3 GLU 102 2HB GLU 102 13.322 4.776 4.004 787 HG2 GLU 102 1HG GLU 102 13.733 4.377 6.343 788 HG3 GLU 102 2HG GLU 102 14.946 3.153 5.991 789 H LYS 103 H LYS 103 13.764 2.197 2.001 790 HA LYS 103 HA LYS 103 11.728 3.426 0.361 791 HB2 LYS 103 1HB LYS 103 13.880 1.423 -0.408 792 HB3 LYS 103 2HB LYS 103 12.889 2.352 -1.540 793 HG2 LYS 103 1HG LYS 103 13.793 4.471 -0.578 794 HG3 LYS 103 2HG LYS 103 14.875 3.559 0.451 795 HD2 LYS 103 1HD LYS 103 14.908 3.023 -2.533 796 HD3 LYS 103 2HD LYS 103 15.572 4.544 -1.974 797 HE2 LYS 103 1HE LYS 103 17.225 2.604 -2.253 798 HE3 LYS 103 2HE LYS 103 17.312 3.530 -0.752 799 HZ1 LYS 103 3HZ LYS 103 15.850 1.015 -1.029 800 HZ2 LYS 103 1HZ LYS 103 16.135 1.863 0.362 801 HZ3 LYS 103 2HZ LYS 103 17.394 1.156 -0.433 802 H VAL 104 H VAL 104 12.324 -0.014 1.222 803 HA VAL 104 HA VAL 104 10.261 -1.055 -0.474 804 HB VAL 104 HB VAL 104 11.640 -2.199 1.985 805 HG11 VAL 104 1HG1 VAL 104 9.480 -3.365 1.738 806 HG12 VAL 104 2HG1 VAL 104 9.776 -3.588 0.006 807 HG13 VAL 104 3HG1 VAL 104 10.792 -4.419 1.200 808 HG21 VAL 104 3HG2 VAL 104 12.886 -3.539 0.377 809 HG22 VAL 104 1HG2 VAL 104 11.932 -2.902 -0.976 810 HG23 VAL 104 2HG2 VAL 104 13.047 -1.842 -0.103 811 H ASP 105 H ASP 105 10.207 0.177 2.931 812 HA ASP 105 HA ASP 105 7.616 -0.660 3.598 813 HB2 ASP 105 1HB ASP 105 9.112 0.305 5.227 814 HB3 ASP 105 2HB ASP 105 9.170 1.827 4.325 815 H VAL 106 H VAL 106 8.589 2.437 2.078 816 HA VAL 106 HA VAL 106 5.890 3.286 1.672 817 HB VAL 106 HB VAL 106 8.478 4.189 0.340 818 HG11 VAL 106 1HG1 VAL 106 7.230 6.399 0.129 819 HG12 VAL 106 2HG1 VAL 106 6.665 5.118 -0.922 820 HG13 VAL 106 3HG1 VAL 106 5.733 5.507 0.531 821 HG21 VAL 106 3HG2 VAL 106 8.262 5.992 2.156 822 HG22 VAL 106 1HG2 VAL 106 7.018 4.959 2.898 823 HG23 VAL 106 2HG2 VAL 106 8.680 4.384 2.729 824 H PHE 107 H PHE 107 7.708 0.991 -0.044 825 HA PHE 107 HA PHE 107 6.190 1.155 -2.605 826 HB2 PHE 107 1HB PHE 107 8.649 0.635 -2.373 827 HB3 PHE 107 2HB PHE 107 8.210 -0.888 -1.635 828 HD1 PHE 107 1HD PHE 107 6.766 -2.576 -3.046 829 HD2 PHE 107 2HD PHE 107 8.896 0.799 -4.698 830 HE1 PHE 107 1HE PHE 107 6.923 -3.724 -5.206 831 HE2 PHE 107 2HE PHE 107 9.121 -0.396 -6.829 832 HZ PHE 107 HZ PHE 107 8.181 -2.699 -7.102 833 H TYR 108 H TYR 108 6.032 -0.416 0.488 834 HA TYR 108 HA TYR 108 4.216 -2.593 -0.376 835 HB2 TYR 108 1HB TYR 108 5.891 -1.938 2.055 836 HB3 TYR 108 2HB TYR 108 4.504 -2.984 2.226 837 HD1 TYR 108 1HD TYR 108 6.802 -3.053 -0.762 838 HD2 TYR 108 2HD TYR 108 5.563 -4.961 2.903 839 HE1 TYR 108 1HE TYR 108 7.918 -5.133 -1.462 840 HE2 TYR 108 2HE TYR 108 6.738 -7.011 2.248 841 HH TYR 108 HH TYR 108 7.207 -7.931 -0.395 842 H ASN 109 H ASN 109 4.344 0.237 1.878 843 HA ASN 109 HA ASN 109 1.544 -0.175 2.621 844 HB2 ASN 109 1HB ASN 109 1.746 1.652 4.104 845 HB3 ASN 109 2HB ASN 109 3.156 0.618 4.294 846 HD21 ASN 109 1HD2 ASN 109 5.003 1.848 4.738 847 HD22 ASN 109 2HD2 ASN 109 5.277 3.423 4.077 848 H SER 110 H SER 110 3.243 1.670 0.200 849 HA SER 110 HA SER 110 0.744 2.568 -1.014 850 HB2 SER 110 1HB SER 110 3.085 4.352 -0.193 851 HB3 SER 110 2HB SER 110 1.873 4.822 -1.396 852 HG SER 110 HG SER 110 0.271 4.548 0.182 853 H GLY 111 H GLY 111 1.867 3.781 -3.275 854 HA2 GLY 111 1HA GLY 111 4.222 2.562 -4.246 855 HA3 GLY 111 2HA GLY 111 2.825 1.593 -4.743 856 HA PRO 112 HA PRO 112 3.401 5.343 -7.588 857 HB2 PRO 112 1HB PRO 112 4.280 4.063 -9.861 858 HB3 PRO 112 2HB PRO 112 5.381 4.641 -8.582 859 HG2 PRO 112 1HG PRO 112 4.336 1.834 -8.999 860 HG3 PRO 112 2HG PRO 112 6.006 2.359 -8.616 861 HD2 PRO 112 1HD PRO 112 4.237 1.459 -6.710 862 HD3 PRO 112 2HD PRO 112 5.483 2.697 -6.355 863 H SER 113 H SER 113 2.253 1.992 -8.121 864 HA SER 113 HA SER 113 0.214 2.587 -10.055 865 HB2 SER 113 1HB SER 113 0.382 0.259 -8.094 866 HB3 SER 113 2HB SER 113 -0.369 0.254 -9.694 867 HG SER 113 HG SER 113 1.693 -0.796 -9.437 868 H SER 114 H SER 114 -2.131 1.776 -9.379 869 HA SER 114 HA SER 114 -2.978 2.195 -6.683 870 HB2 SER 114 1HB SER 114 -2.642 4.591 -7.573 871 HB3 SER 114 2HB SER 114 -3.990 4.274 -8.663 872 HG SER 114 HG SER 114 -4.934 5.072 -6.891 873 H GLY 115 H GLY 115 -4.817 0.875 -6.479 874 HA2 GLY 115 1HA GLY 115 -6.420 0.240 -8.869 875 HA3 GLY 115 2HA GLY 115 -5.622 -1.081 -7.983 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -52.330 -97.831 20.178 2 HA2 GLY 1 1HA GLY 1 -53.520 -96.469 18.490 3 HA3 GLY 1 2HA GLY 1 -53.910 -95.334 19.803 4 H SER 2 H SER 2 -52.628 -94.027 17.840 5 HA SER 2 HA SER 2 -49.988 -93.468 18.887 6 HB2 SER 2 1HB SER 2 -49.316 -93.483 16.311 7 HB3 SER 2 2HB SER 2 -49.176 -94.952 17.300 8 HG SER 2 HG SER 2 -50.234 -95.151 15.182 9 H SER 3 H SER 3 -49.282 -91.342 17.796 10 HA SER 3 HA SER 3 -51.470 -89.744 16.668 11 HB2 SER 3 1HB SER 3 -49.795 -88.873 19.069 12 HB3 SER 3 2HB SER 3 -51.144 -88.001 18.326 13 HG SER 3 HG SER 3 -51.847 -89.021 20.195 14 H GLY 4 H GLY 4 -50.499 -87.616 15.832 15 HA2 GLY 4 1HA GLY 4 -47.745 -87.095 15.690 16 HA3 GLY 4 2HA GLY 4 -48.262 -87.987 14.238 17 H SER 5 H SER 5 -47.422 -85.228 14.121 18 HA SER 5 HA SER 5 -49.529 -84.036 12.690 19 HB2 SER 5 1HB SER 5 -50.328 -83.565 15.064 20 HB3 SER 5 2HB SER 5 -48.823 -82.671 15.335 21 HG SER 5 HG SER 5 -50.829 -81.523 14.597 22 H SER 6 H SER 6 -48.658 -81.781 11.962 23 HA SER 6 HA SER 6 -45.860 -81.187 12.372 24 HB2 SER 6 1HB SER 6 -45.317 -81.527 9.898 25 HB3 SER 6 2HB SER 6 -45.459 -83.008 10.852 26 HG SER 6 HG SER 6 -47.716 -81.997 9.500 27 H GLY 7 H GLY 7 -45.378 -79.047 11.476 28 HA2 GLY 7 1HA GLY 7 -47.144 -77.723 9.659 29 HA3 GLY 7 2HA GLY 7 -47.401 -77.203 11.342 30 H LYS 8 H LYS 8 -46.273 -75.532 9.203 31 HA LYS 8 HA LYS 8 -43.831 -74.697 10.551 32 HB2 LYS 8 1HB LYS 8 -43.137 -76.465 8.870 33 HB3 LYS 8 2HB LYS 8 -43.772 -75.438 7.581 34 HG2 LYS 8 1HG LYS 8 -42.131 -73.685 8.144 35 HG3 LYS 8 2HG LYS 8 -41.591 -74.616 9.558 36 HD2 LYS 8 1HD LYS 8 -40.920 -76.489 8.040 37 HD3 LYS 8 2HD LYS 8 -41.338 -75.498 6.639 38 HE2 LYS 8 1HE LYS 8 -39.242 -74.816 8.763 39 HE3 LYS 8 2HE LYS 8 -38.889 -75.555 7.200 40 HZ1 LYS 8 3HZ LYS 8 -40.075 -72.877 7.580 41 HZ2 LYS 8 1HZ LYS 8 -39.751 -73.578 6.124 42 HZ3 LYS 8 2HZ LYS 8 -38.522 -73.193 7.143 43 H TRP 9 H TRP 9 -44.149 -72.469 10.701 44 HA TRP 9 HA TRP 9 -45.413 -71.016 8.479 45 HB2 TRP 9 1HB TRP 9 -46.921 -69.874 10.082 46 HB3 TRP 9 2HB TRP 9 -47.281 -71.570 9.883 47 HD1 TRP 9 HD TRP 9 -46.990 -73.168 11.962 48 HE1 TRP 9 1HE TRP 9 -46.743 -72.762 14.478 49 HE3 TRP 9 3HE TRP 9 -45.952 -68.163 11.882 50 HZ2 TRP 9 2HZ TRP 9 -46.099 -70.561 16.238 51 HZ3 TRP 9 3HZ TRP 9 -45.514 -66.935 14.010 52 HH2 TRP 9 HH TRP 9 -45.590 -68.130 16.175 53 H GLY 10 H GLY 10 -45.382 -68.496 9.455 54 HA2 GLY 10 1HA GLY 10 -43.171 -67.783 11.063 55 HA3 GLY 10 2HA GLY 10 -42.716 -67.674 9.344 56 H LEU 11 H LEU 11 -42.908 -65.393 11.053 57 HA LEU 11 HA LEU 11 -45.157 -63.883 9.844 58 HB2 LEU 11 1HB LEU 11 -44.118 -63.778 12.689 59 HB3 LEU 11 2HB LEU 11 -45.137 -62.527 12.001 60 HG LEU 11 HG LEU 11 -45.952 -65.435 12.242 61 HD11 LEU 11 1HD1 LEU 11 -46.772 -63.026 13.928 62 HD12 LEU 11 2HD1 LEU 11 -45.697 -64.338 14.452 63 HD13 LEU 11 3HD1 LEU 11 -47.389 -64.684 14.094 64 HD21 LEU 11 3HD2 LEU 11 -47.194 -64.408 10.434 65 HD22 LEU 11 1HD2 LEU 11 -47.544 -62.964 11.429 66 HD23 LEU 11 2HD2 LEU 11 -48.255 -64.540 11.826 67 H ARG 12 H ARG 12 -44.597 -61.377 10.303 68 HA ARG 12 HA ARG 12 -41.891 -60.613 10.114 69 HB2 ARG 12 1HB ARG 12 -41.838 -59.729 7.977 70 HB3 ARG 12 2HB ARG 12 -42.295 -61.393 7.735 71 HG2 ARG 12 1HG ARG 12 -44.028 -58.880 7.497 72 HG3 ARG 12 2HG ARG 12 -43.430 -59.877 6.185 73 HD2 ARG 12 1HD ARG 12 -45.473 -60.665 8.266 74 HD3 ARG 12 2HD ARG 12 -45.788 -60.308 6.563 75 HE ARG 12 HE ARG 12 -43.950 -62.305 6.425 76 HH11 ARG 12 1HH1 ARG 12 -47.120 -62.076 7.984 77 HH12 ARG 12 2HH1 ARG 12 -47.332 -63.783 8.172 78 HH21 ARG 12 1HH2 ARG 12 -44.199 -64.592 6.682 79 HH22 ARG 12 2HH2 ARG 12 -45.508 -65.223 7.613 80 H LEU 13 H LEU 13 -41.898 -58.091 9.870 81 HA LEU 13 HA LEU 13 -44.377 -56.712 10.433 82 HB2 LEU 13 1HB LEU 13 -42.650 -57.610 12.558 83 HB3 LEU 13 2HB LEU 13 -42.148 -55.971 12.235 84 HG LEU 13 HG LEU 13 -43.762 -56.044 14.043 85 HD11 LEU 13 1HD1 LEU 13 -45.412 -54.423 13.336 86 HD12 LEU 13 2HD1 LEU 13 -45.178 -54.831 11.631 87 HD13 LEU 13 3HD1 LEU 13 -43.870 -54.053 12.574 88 HD21 LEU 13 3HD2 LEU 13 -44.931 -58.128 13.406 89 HD22 LEU 13 1HD2 LEU 13 -45.780 -57.263 12.112 90 HD23 LEU 13 2HD2 LEU 13 -46.052 -56.819 13.808 91 H GLN 14 H GLN 14 -43.719 -54.238 10.472 92 HA GLN 14 HA GLN 14 -41.223 -53.706 9.064 93 HB2 GLN 14 1HB GLN 14 -43.471 -54.104 7.540 94 HB3 GLN 14 2HB GLN 14 -43.692 -52.415 7.963 95 HG2 GLN 14 1HG GLN 14 -42.499 -52.262 5.976 96 HG3 GLN 14 2HG GLN 14 -41.198 -52.137 7.148 97 HE21 GLN 14 1HE2 GLN 14 -41.109 -55.062 7.839 98 HE22 GLN 14 2HE2 GLN 14 -40.584 -55.896 6.454 99 H GLU 15 H GLU 15 -40.445 -51.674 9.527 100 HA GLU 15 HA GLU 15 -41.997 -49.912 11.328 101 HB2 GLU 15 1HB GLU 15 -39.151 -50.937 11.633 102 HB3 GLU 15 2HB GLU 15 -39.841 -49.614 12.579 103 HG2 GLU 15 1HG GLU 15 -41.542 -51.097 13.525 104 HG3 GLU 15 2HG GLU 15 -40.973 -52.450 12.540 105 H LYS 16 H LYS 16 -40.296 -47.866 11.554 106 HA LYS 16 HA LYS 16 -39.461 -47.104 8.828 107 HB2 LYS 16 1HB LYS 16 -41.623 -46.372 8.983 108 HB3 LYS 16 2HB LYS 16 -41.360 -45.603 10.582 109 HG2 LYS 16 1HG LYS 16 -39.770 -44.028 9.358 110 HG3 LYS 16 2HG LYS 16 -40.360 -44.757 7.848 111 HD2 LYS 16 1HD LYS 16 -42.072 -43.434 9.961 112 HD3 LYS 16 2HD LYS 16 -41.477 -42.630 8.491 113 HE2 LYS 16 1HE LYS 16 -42.697 -44.243 7.076 114 HE3 LYS 16 2HE LYS 16 -43.255 -45.112 8.511 115 HZ1 LYS 16 3HZ LYS 16 -44.940 -43.629 7.673 116 HZ2 LYS 16 1HZ LYS 16 -43.956 -42.322 7.843 117 HZ3 LYS 16 2HZ LYS 16 -44.469 -43.149 9.173 118 HA PRO 17 HA PRO 17 -36.002 -45.701 11.261 119 HB2 PRO 17 1HB PRO 17 -34.641 -44.269 9.359 120 HB3 PRO 17 2HB PRO 17 -34.825 -46.046 9.268 121 HG2 PRO 17 1HG PRO 17 -36.510 -43.924 7.885 122 HG3 PRO 17 2HG PRO 17 -35.732 -45.371 7.152 123 HD2 PRO 17 1HD PRO 17 -38.371 -45.387 7.963 124 HD3 PRO 17 2HD PRO 17 -37.356 -46.830 8.120 125 H ALA 18 H ALA 18 -34.818 -43.582 11.718 126 HA ALA 18 HA ALA 18 -36.693 -41.644 12.706 127 HB1 ALA 18 1HB ALA 18 -34.583 -42.273 13.881 128 HB2 ALA 18 2HB ALA 18 -33.638 -41.566 12.545 129 HB3 ALA 18 3HB ALA 18 -34.653 -40.532 13.567 130 H LEU 19 H LEU 19 -35.992 -39.216 12.373 131 HA LEU 19 HA LEU 19 -35.703 -38.588 9.476 132 HB2 LEU 19 1HB LEU 19 -37.566 -37.308 11.520 133 HB3 LEU 19 2HB LEU 19 -37.311 -36.712 9.885 134 HG LEU 19 HG LEU 19 -38.523 -39.428 10.573 135 HD11 LEU 19 1HD1 LEU 19 -39.828 -36.865 9.566 136 HD12 LEU 19 2HD1 LEU 19 -39.976 -37.541 11.202 137 HD13 LEU 19 3HD1 LEU 19 -40.638 -38.429 9.823 138 HD21 LEU 19 3HD2 LEU 19 -38.210 -37.998 7.888 139 HD22 LEU 19 1HD2 LEU 19 -39.167 -39.473 8.167 140 HD23 LEU 19 2HD2 LEU 19 -37.421 -39.515 8.381 141 H LEU 20 H LEU 20 -35.227 -36.104 9.311 142 HA LEU 20 HA LEU 20 -33.313 -35.231 11.360 143 HB2 LEU 20 1HB LEU 20 -31.798 -34.570 9.573 144 HB3 LEU 20 2HB LEU 20 -31.992 -36.307 9.602 145 HG LEU 20 HG LEU 20 -33.855 -34.855 7.743 146 HD11 LEU 20 1HD1 LEU 20 -31.825 -33.501 7.430 147 HD12 LEU 20 2HD1 LEU 20 -32.149 -34.504 6.009 148 HD13 LEU 20 3HD1 LEU 20 -30.869 -34.973 7.152 149 HD21 LEU 20 3HD2 LEU 20 -33.295 -36.691 6.234 150 HD22 LEU 20 1HD2 LEU 20 -33.717 -37.337 7.825 151 HD23 LEU 20 2HD2 LEU 20 -32.017 -37.248 7.334 152 H PHE 21 H PHE 21 -32.662 -32.860 10.677 153 HA PHE 21 HA PHE 21 -35.107 -31.348 9.942 154 HB2 PHE 21 1HB PHE 21 -32.936 -30.812 12.012 155 HB3 PHE 21 2HB PHE 21 -34.101 -29.605 11.515 156 HD1 PHE 21 1HD PHE 21 -36.494 -29.779 12.108 157 HD2 PHE 21 2HD PHE 21 -33.634 -32.730 13.434 158 HE1 PHE 21 1HE PHE 21 -38.134 -30.635 13.759 159 HE2 PHE 21 2HE PHE 21 -35.284 -33.586 15.074 160 HZ PHE 21 HZ PHE 21 -37.536 -32.539 15.244 161 HA PRO 22 HA PRO 22 -32.515 -29.564 6.835 162 HB2 PRO 22 1HB PRO 22 -33.533 -27.057 6.446 163 HB3 PRO 22 2HB PRO 22 -34.471 -28.536 6.069 164 HG2 PRO 22 1HG PRO 22 -34.584 -26.853 8.597 165 HG3 PRO 22 2HG PRO 22 -35.954 -27.407 7.578 166 HD2 PRO 22 1HD PRO 22 -35.181 -28.743 9.824 167 HD3 PRO 22 2HD PRO 22 -35.774 -29.622 8.382 168 H GLY 23 H GLY 23 -30.998 -27.777 6.340 169 HA2 GLY 23 1HA GLY 23 -29.395 -27.062 8.686 170 HA3 GLY 23 2HA GLY 23 -28.964 -26.850 6.972 171 H MET 24 H MET 24 -28.262 -24.697 8.185 172 HA MET 24 HA MET 24 -30.471 -22.718 7.916 173 HB2 MET 24 1HB MET 24 -28.141 -22.682 9.882 174 HB3 MET 24 2HB MET 24 -29.335 -21.398 9.655 175 HG2 MET 24 1HG MET 24 -31.144 -23.024 10.277 176 HG3 MET 24 2HG MET 24 -29.892 -24.208 10.655 177 HE1 MET 24 3HE MET 24 -30.747 -24.626 13.052 178 HE2 MET 24 1HE MET 24 -31.164 -23.340 14.207 179 HE3 MET 24 2HE MET 24 -32.107 -23.532 12.711 180 H ALA 25 H ALA 25 -29.520 -20.393 7.497 181 HA ALA 25 HA ALA 25 -27.033 -20.203 6.145 182 HB1 ALA 25 1HB ALA 25 -29.713 -19.885 4.678 183 HB2 ALA 25 2HB ALA 25 -28.143 -19.297 4.094 184 HB3 ALA 25 3HB ALA 25 -28.428 -21.047 4.258 185 H ALA 26 H ALA 26 -26.462 -18.100 6.637 186 HA ALA 26 HA ALA 26 -28.573 -16.292 7.587 187 HB1 ALA 26 1HB ALA 26 -25.880 -16.839 8.925 188 HB2 ALA 26 2HB ALA 26 -27.016 -15.581 9.425 189 HB3 ALA 26 3HB ALA 26 -27.479 -17.286 9.563 190 H SER 27 H SER 27 -27.282 -13.954 7.777 191 HA SER 27 HA SER 27 -26.345 -13.447 5.086 192 HB2 SER 27 1HB SER 27 -27.596 -11.955 7.045 193 HB3 SER 27 2HB SER 27 -25.935 -11.349 7.176 194 HG SER 27 HG SER 27 -27.538 -11.622 4.837 195 H THR 28 H THR 28 -24.263 -11.911 4.950 196 HA THR 28 HA THR 28 -22.044 -13.127 6.503 197 HB THR 28 HB THR 28 -22.200 -14.153 4.293 198 HG1 THR 28 1HG THR 28 -19.973 -12.705 3.819 199 HG21 THR 28 3HG2 THR 28 -21.675 -12.908 2.260 200 HG22 THR 28 1HG2 THR 28 -21.696 -11.380 3.152 201 HG23 THR 28 2HG2 THR 28 -23.183 -12.333 2.973 202 H VAL 29 H VAL 29 -20.015 -11.690 6.175 203 HA VAL 29 HA VAL 29 -20.699 -9.069 7.243 204 HB VAL 29 HB VAL 29 -18.245 -8.839 7.488 205 HG11 VAL 29 1HG1 VAL 29 -19.216 -11.574 8.432 206 HG12 VAL 29 2HG1 VAL 29 -17.949 -10.566 9.163 207 HG13 VAL 29 3HG1 VAL 29 -19.639 -10.040 9.200 208 HG21 VAL 29 3HG2 VAL 29 -17.995 -11.646 6.321 209 HG22 VAL 29 1HG2 VAL 29 -17.567 -10.160 5.451 210 HG23 VAL 29 2HG2 VAL 29 -16.699 -10.597 6.926 211 H GLN 30 H GLN 30 -18.888 -7.276 6.220 212 HA GLN 30 HA GLN 30 -19.302 -7.215 3.301 213 HB2 GLN 30 1HB GLN 30 -20.135 -5.032 5.261 214 HB3 GLN 30 2HB GLN 30 -19.909 -4.760 3.524 215 HG2 GLN 30 1HG GLN 30 -21.566 -6.620 3.093 216 HG3 GLN 30 2HG GLN 30 -21.942 -6.620 4.819 217 HE21 GLN 30 1HE2 GLN 30 -23.355 -5.021 5.590 218 HE22 GLN 30 2HE2 GLN 30 -24.051 -3.746 4.604 219 H VAL 31 H VAL 31 -17.998 -5.184 2.424 220 HA VAL 31 HA VAL 31 -15.285 -5.738 2.974 221 HB VAL 31 HB VAL 31 -16.518 -3.350 1.551 222 HG11 VAL 31 1HG1 VAL 31 -13.829 -4.720 1.290 223 HG12 VAL 31 2HG1 VAL 31 -14.441 -3.512 0.142 224 HG13 VAL 31 3HG1 VAL 31 -14.147 -3.041 1.814 225 HG21 VAL 31 3HG2 VAL 31 -17.445 -5.458 0.563 226 HG22 VAL 31 1HG2 VAL 31 -16.306 -4.703 -0.552 227 HG23 VAL 31 2HG2 VAL 31 -15.798 -6.100 0.407 228 H ALA 32 H ALA 32 -13.710 -4.411 3.930 229 HA ALA 32 HA ALA 32 -14.710 -2.348 5.818 230 HB1 ALA 32 1HB ALA 32 -12.526 -4.466 6.071 231 HB2 ALA 32 2HB ALA 32 -12.820 -3.228 7.288 232 HB3 ALA 32 3HB ALA 32 -14.071 -4.443 6.956 233 H GLY 33 H GLY 33 -12.797 -1.073 6.662 234 HA2 GLY 33 1HA GLY 33 -11.052 -0.073 4.444 235 HA3 GLY 33 2HA GLY 33 -11.816 0.959 5.668 236 H ARG 34 H ARG 34 -9.094 1.194 5.601 237 HA ARG 34 HA ARG 34 -8.177 -0.356 7.993 238 HB2 ARG 34 1HB ARG 34 -6.629 0.371 5.464 239 HB3 ARG 34 2HB ARG 34 -5.900 -0.314 6.891 240 HG2 ARG 34 1HG ARG 34 -8.060 -1.800 5.395 241 HG3 ARG 34 2HG ARG 34 -6.377 -1.818 4.881 242 HD2 ARG 34 1HD ARG 34 -6.656 -3.766 6.175 243 HD3 ARG 34 2HD ARG 34 -5.707 -2.648 7.144 244 HE ARG 34 HE ARG 34 -7.412 -2.445 8.669 245 HH11 ARG 34 1HH1 ARG 34 -8.756 -4.109 5.810 246 HH12 ARG 34 2HH1 ARG 34 -9.922 -5.015 6.722 247 HH21 ARG 34 1HH2 ARG 34 -9.291 -3.361 9.793 248 HH22 ARG 34 2HH2 ARG 34 -10.334 -4.429 8.940 249 H LYS 35 H LYS 35 -6.049 0.626 8.719 250 HA LYS 35 HA LYS 35 -5.761 3.512 8.685 251 HB2 LYS 35 1HB LYS 35 -6.084 1.966 11.304 252 HB3 LYS 35 2HB LYS 35 -5.730 3.674 11.125 253 HG2 LYS 35 1HG LYS 35 -8.056 3.956 10.110 254 HG3 LYS 35 2HG LYS 35 -8.347 2.266 10.551 255 HD2 LYS 35 1HD LYS 35 -9.109 3.158 12.497 256 HD3 LYS 35 2HD LYS 35 -7.425 3.161 12.961 257 HE2 LYS 35 1HE LYS 35 -8.985 5.484 11.731 258 HE3 LYS 35 2HE LYS 35 -8.615 5.291 13.445 259 HZ1 LYS 35 3HZ LYS 35 -6.292 5.520 12.945 260 HZ2 LYS 35 1HZ LYS 35 -7.144 6.813 12.365 261 HZ3 LYS 35 2HZ LYS 35 -6.598 5.670 11.319 262 H ASP 36 H ASP 36 -3.715 3.820 10.292 263 HA ASP 36 HA ASP 36 -1.588 3.406 10.814 264 HB2 ASP 36 1HB ASP 36 -3.054 1.133 11.599 265 HB3 ASP 36 2HB ASP 36 -1.662 0.454 10.821 266 H TYR 37 H TYR 37 -2.377 3.392 7.901 267 HA TYR 37 HA TYR 37 -0.879 1.564 6.436 268 HB2 TYR 37 1HB TYR 37 -0.889 4.188 5.131 269 HB3 TYR 37 2HB TYR 37 -1.457 2.651 4.615 270 HD1 TYR 37 2HD TYR 37 -3.691 1.797 5.965 271 HD2 TYR 37 1HD TYR 37 -2.472 5.895 5.397 272 HE1 TYR 37 2HE TYR 37 -6.049 2.496 5.860 273 HE2 TYR 37 1HE TYR 37 -4.858 6.623 5.567 274 HH TYR 37 HH TYR 37 -7.518 4.249 5.863 275 HA PRO 38 HA PRO 38 3.027 4.288 6.248 276 HB2 PRO 38 1HB PRO 38 3.335 6.503 7.821 277 HB3 PRO 38 2HB PRO 38 2.549 6.541 6.220 278 HG2 PRO 38 1HG PRO 38 1.206 6.341 8.942 279 HG3 PRO 38 2HG PRO 38 0.803 7.464 7.608 280 HD2 PRO 38 1HD PRO 38 -0.586 5.157 7.949 281 HD3 PRO 38 2HD PRO 38 -0.156 5.762 6.333 282 H ALA 39 H ALA 39 4.006 2.526 7.225 283 HA ALA 39 HA ALA 39 4.699 2.754 10.082 284 HB1 ALA 39 1HB ALA 39 2.615 1.355 9.932 285 HB2 ALA 39 2HB ALA 39 3.474 0.255 8.831 286 HB3 ALA 39 3HB ALA 39 4.007 0.435 10.509 287 H LEU 40 H LEU 40 5.968 0.306 10.262 288 HA LEU 40 HA LEU 40 7.992 0.204 8.186 289 HB2 LEU 40 1HB LEU 40 8.591 0.762 11.079 290 HB3 LEU 40 2HB LEU 40 9.782 0.096 9.970 291 HG LEU 40 HG LEU 40 8.340 2.744 9.522 292 HD11 LEU 40 1HD1 LEU 40 10.473 3.813 10.159 293 HD12 LEU 40 2HD1 LEU 40 11.107 2.214 10.641 294 HD13 LEU 40 3HD1 LEU 40 9.722 2.934 11.489 295 HD21 LEU 40 3HD2 LEU 40 9.149 1.831 7.407 296 HD22 LEU 40 1HD2 LEU 40 10.750 1.499 8.095 297 HD23 LEU 40 2HD2 LEU 40 10.181 3.175 7.880 298 H LEU 41 H LEU 41 7.210 -1.770 7.578 299 HA LEU 41 HA LEU 41 6.388 -3.881 9.294 300 HB2 LEU 41 1HB LEU 41 6.191 -5.219 7.292 301 HB3 LEU 41 2HB LEU 41 5.636 -3.608 6.980 302 HG LEU 41 HG LEU 41 8.172 -3.306 6.047 303 HD11 LEU 41 1HD1 LEU 41 8.966 -5.569 6.508 304 HD12 LEU 41 2HD1 LEU 41 8.811 -5.339 4.776 305 HD13 LEU 41 3HD1 LEU 41 7.566 -6.264 5.675 306 HD21 LEU 41 3HD2 LEU 41 5.931 -4.660 4.485 307 HD22 LEU 41 1HD2 LEU 41 7.303 -3.750 3.809 308 HD23 LEU 41 2HD2 LEU 41 6.086 -2.918 4.777 309 HA PRO 42 HA PRO 42 10.268 -5.831 10.210 310 HB2 PRO 42 1HB PRO 42 9.533 -8.382 10.821 311 HB3 PRO 42 2HB PRO 42 9.062 -6.967 11.808 312 HG2 PRO 42 1HG PRO 42 7.407 -8.422 9.714 313 HG3 PRO 42 2HG PRO 42 6.907 -7.912 11.342 314 HD2 PRO 42 1HD PRO 42 6.406 -6.469 9.052 315 HD3 PRO 42 2HD PRO 42 6.636 -5.687 10.637 316 H LEU 43 H LEU 43 11.751 -6.118 8.590 317 HA LEU 43 HA LEU 43 11.136 -7.928 6.306 318 HB2 LEU 43 1HB LEU 43 13.230 -5.807 6.841 319 HB3 LEU 43 2HB LEU 43 13.710 -7.154 5.844 320 HG LEU 43 HG LEU 43 11.479 -5.244 5.196 321 HD11 LEU 43 1HD1 LEU 43 12.989 -4.618 3.378 322 HD12 LEU 43 2HD1 LEU 43 14.134 -5.904 3.810 323 HD13 LEU 43 3HD1 LEU 43 13.891 -4.509 4.897 324 HD21 LEU 43 3HD2 LEU 43 10.673 -7.290 4.383 325 HD22 LEU 43 1HD2 LEU 43 12.283 -7.827 3.860 326 HD23 LEU 43 2HD2 LEU 43 11.442 -6.524 3.005 327 H ASN 44 H ASN 44 12.168 -9.818 5.848 328 HA ASN 44 HA ASN 44 13.747 -11.065 8.024 329 HB2 ASN 44 1HB ASN 44 11.948 -12.361 6.957 330 HB3 ASN 44 2HB ASN 44 12.641 -12.063 5.371 331 HD21 ASN 44 1HD2 ASN 44 12.368 -14.469 5.539 332 HD22 ASN 44 2HD2 ASN 44 13.721 -15.454 6.133 333 H GLU 45 H GLU 45 15.857 -10.361 7.954 334 HA GLU 45 HA GLU 45 17.168 -9.358 5.661 335 HB2 GLU 45 1HB GLU 45 19.221 -9.532 7.015 336 HB3 GLU 45 2HB GLU 45 17.875 -8.768 7.848 337 HG2 GLU 45 1HG GLU 45 18.181 -11.705 8.348 338 HG3 GLU 45 2HG GLU 45 19.469 -10.656 8.941 339 H SER 46 H SER 46 16.460 -12.657 6.251 340 HA SER 46 HA SER 46 18.780 -13.586 4.626 341 HB2 SER 46 1HB SER 46 16.754 -15.142 6.238 342 HB3 SER 46 2HB SER 46 18.219 -15.785 5.464 343 HG SER 46 HG SER 46 18.475 -15.241 7.754 344 H GLU 47 H GLU 47 15.644 -12.499 4.127 345 HA GLU 47 HA GLU 47 15.023 -14.411 1.951 346 HB2 GLU 47 1HB GLU 47 13.431 -13.601 3.758 347 HB3 GLU 47 2HB GLU 47 13.486 -12.008 3.017 348 HG2 GLU 47 1HG GLU 47 12.737 -13.494 0.850 349 HG3 GLU 47 2HG GLU 47 12.189 -14.563 2.129 350 H LEU 48 H LEU 48 16.737 -11.536 2.408 351 HA LEU 48 HA LEU 48 16.075 -10.278 -0.181 352 HB2 LEU 48 1HB LEU 48 18.233 -9.319 1.692 353 HB3 LEU 48 2HB LEU 48 17.227 -8.393 0.588 354 HG LEU 48 HG LEU 48 16.503 -9.527 3.308 355 HD11 LEU 48 1HD1 LEU 48 16.206 -7.203 3.932 356 HD12 LEU 48 2HD1 LEU 48 16.555 -6.679 2.270 357 HD13 LEU 48 3HD1 LEU 48 17.820 -7.454 3.254 358 HD21 LEU 48 3HD2 LEU 48 14.602 -8.292 1.280 359 HD22 LEU 48 1HD2 LEU 48 14.277 -8.361 3.030 360 HD23 LEU 48 2HD2 LEU 48 14.440 -9.842 2.131 361 H GLU 49 H GLU 49 18.217 -9.417 -1.414 362 HA GLU 49 HA GLU 49 20.270 -11.545 -1.407 363 HB2 GLU 49 1HB GLU 49 18.668 -10.390 -3.688 364 HB3 GLU 49 2HB GLU 49 20.267 -11.088 -3.953 365 HG2 GLU 49 1HG GLU 49 17.998 -12.587 -2.553 366 HG3 GLU 49 2HG GLU 49 18.298 -12.652 -4.276 367 H GLU 50 H GLU 50 22.217 -10.784 -1.090 368 HA GLU 50 HA GLU 50 22.745 -7.889 -1.507 369 HB2 GLU 50 1HB GLU 50 24.447 -8.081 0.106 370 HB3 GLU 50 2HB GLU 50 22.937 -8.661 0.795 371 HG2 GLU 50 1HG GLU 50 23.696 -10.987 0.715 372 HG3 GLU 50 2HG GLU 50 25.101 -10.563 -0.211 373 H GLN 51 H GLN 51 24.954 -7.278 -2.258 374 HA GLN 51 HA GLN 51 26.369 -9.313 -3.862 375 HB2 GLN 51 1HB GLN 51 25.165 -6.746 -4.892 376 HB3 GLN 51 2HB GLN 51 26.456 -7.606 -5.736 377 HG2 GLN 51 1HG GLN 51 25.033 -9.516 -6.126 378 HG3 GLN 51 2HG GLN 51 23.767 -8.878 -5.068 379 HE21 GLN 51 1HE2 GLN 51 22.267 -7.396 -5.848 380 HE22 GLN 51 2HE2 GLN 51 22.324 -6.767 -7.504 381 H PHE 52 H PHE 52 28.440 -9.061 -3.680 382 HA PHE 52 HA PHE 52 29.573 -6.859 -2.060 383 HB2 PHE 52 1HB PHE 52 30.872 -9.402 -3.121 384 HB3 PHE 52 2HB PHE 52 31.627 -8.248 -2.033 385 HD1 PHE 52 2HD PHE 52 30.347 -7.772 0.245 386 HD2 PHE 52 1HD PHE 52 29.717 -11.270 -2.196 387 HE1 PHE 52 2HE PHE 52 29.200 -8.902 2.141 388 HE2 PHE 52 1HE PHE 52 28.563 -12.381 -0.305 389 HZ PHE 52 HZ PHE 52 28.193 -11.166 1.819 390 H VAL 53 H VAL 53 31.650 -5.818 -2.861 391 HA VAL 53 HA VAL 53 31.783 -5.613 -5.817 392 HB VAL 53 HB VAL 53 31.905 -3.269 -3.899 393 HG11 VAL 53 1HG1 VAL 53 31.637 -1.941 -5.995 394 HG12 VAL 53 2HG1 VAL 53 33.104 -2.925 -6.010 395 HG13 VAL 53 3HG1 VAL 53 31.674 -3.446 -6.936 396 HG21 VAL 53 3HG2 VAL 53 29.674 -2.587 -4.798 397 HG22 VAL 53 1HG2 VAL 53 29.530 -4.168 -5.588 398 HG23 VAL 53 2HG2 VAL 53 29.590 -4.043 -3.814 399 H LYS 54 H LYS 54 33.743 -5.900 -6.518 400 HA LYS 54 HA LYS 54 36.119 -5.543 -4.722 401 HB2 LYS 54 1HB LYS 54 35.514 -7.605 -6.871 402 HB3 LYS 54 2HB LYS 54 37.124 -7.345 -6.197 403 HG2 LYS 54 1HG LYS 54 36.504 -8.119 -4.035 404 HG3 LYS 54 2HG LYS 54 34.765 -8.023 -4.390 405 HD2 LYS 54 1HD LYS 54 34.906 -9.778 -6.027 406 HD3 LYS 54 2HD LYS 54 36.674 -9.847 -5.892 407 HE2 LYS 54 1HE LYS 54 36.610 -10.821 -3.744 408 HE3 LYS 54 2HE LYS 54 34.904 -10.400 -3.488 409 HZ1 LYS 54 3HZ LYS 54 35.370 -12.799 -4.139 410 HZ2 LYS 54 1HZ LYS 54 35.766 -12.249 -5.624 411 HZ3 LYS 54 2HZ LYS 54 34.256 -11.999 -5.069 412 H GLY 55 H GLY 55 34.874 -5.497 -8.124 413 HA2 GLY 55 1HA GLY 55 35.967 -3.009 -8.821 414 HA3 GLY 55 2HA GLY 55 37.157 -4.252 -9.259 415 H HIS 56 H HIS 56 33.762 -3.236 -9.690 416 HA HIS 56 HA HIS 56 33.242 -5.210 -11.782 417 HB2 HIS 56 1HB HIS 56 31.357 -4.592 -10.436 418 HB3 HIS 56 2HB HIS 56 31.660 -2.862 -10.679 419 HD1 HIS 56 1HD HIS 56 30.636 -5.945 -12.862 420 HD2 HIS 56 2HD HIS 56 30.706 -1.722 -12.836 421 HE1 HIS 56 1HE HIS 56 29.533 -5.200 -15.012 422 H GLY 57 H GLY 57 34.345 -4.939 -13.653 423 HA2 GLY 57 1HA GLY 57 35.104 -3.915 -15.629 424 HA3 GLY 57 2HA GLY 57 33.815 -2.746 -15.342 425 HA PRO 58 HA PRO 58 37.890 -0.550 -14.940 426 HB2 PRO 58 1HB PRO 58 37.494 1.395 -16.810 427 HB3 PRO 58 2HB PRO 58 37.941 -0.275 -17.256 428 HG2 PRO 58 1HG PRO 58 35.156 0.940 -17.189 429 HG3 PRO 58 2HG PRO 58 35.930 0.011 -18.521 430 HD2 PRO 58 1HD PRO 58 34.249 -1.123 -16.705 431 HD3 PRO 58 2HD PRO 58 35.630 -2.015 -17.412 432 H GLY 59 H GLY 59 34.936 -0.177 -13.643 433 HA2 GLY 59 1HA GLY 59 34.237 1.197 -11.941 434 HA3 GLY 59 2HA GLY 59 35.617 2.279 -12.230 435 H GLY 60 H GLY 60 35.456 3.326 -14.568 436 HA2 GLY 60 1HA GLY 60 33.804 4.062 -16.293 437 HA3 GLY 60 2HA GLY 60 32.699 4.434 -14.954 438 H GLN 61 H GLN 61 32.906 6.577 -16.242 439 HA GLN 61 HA GLN 61 35.304 8.158 -15.847 440 HB2 GLN 61 1HB GLN 61 33.748 8.354 -17.813 441 HB3 GLN 61 2HB GLN 61 32.503 8.981 -16.730 442 HG2 GLN 61 1HG GLN 61 34.150 10.869 -16.133 443 HG3 GLN 61 2HG GLN 61 35.199 10.241 -17.408 444 HE21 GLN 61 1HE2 GLN 61 31.955 11.660 -16.750 445 HE22 GLN 61 2HE2 GLN 61 31.748 12.236 -18.407 446 H ALA 62 H ALA 62 35.406 7.736 -13.471 447 HA ALA 62 HA ALA 62 34.040 9.846 -11.947 448 HB1 ALA 62 1HB ALA 62 34.014 6.895 -11.143 449 HB2 ALA 62 2HB ALA 62 33.417 8.250 -10.158 450 HB3 ALA 62 3HB ALA 62 32.597 7.834 -11.673 451 H THR 63 H THR 63 35.145 10.053 -9.745 452 HA THR 63 HA THR 63 38.031 9.387 -9.965 453 HB THR 63 HB THR 63 38.184 11.412 -8.400 454 HG1 THR 63 1HG THR 63 36.346 12.793 -8.547 455 HG21 THR 63 3HG2 THR 63 38.725 11.524 -10.829 456 HG22 THR 63 1HG2 THR 63 38.003 13.028 -10.238 457 HG23 THR 63 2HG2 THR 63 37.026 11.889 -11.187 458 H ASN 64 H ASN 64 35.328 8.285 -8.410 459 HA ASN 64 HA ASN 64 36.277 8.007 -5.705 460 HB2 ASN 64 1HB ASN 64 34.130 6.384 -7.143 461 HB3 ASN 64 2HB ASN 64 34.290 6.592 -5.402 462 HD21 ASN 64 1HD2 ASN 64 33.445 8.615 -4.417 463 HD22 ASN 64 2HD2 ASN 64 32.598 9.746 -5.457 464 H LYS 65 H LYS 65 36.174 5.570 -4.783 465 HA LYS 65 HA LYS 65 37.638 3.671 -6.510 466 HB2 LYS 65 1HB LYS 65 38.620 4.632 -3.772 467 HB3 LYS 65 2HB LYS 65 39.084 3.106 -4.521 468 HG2 LYS 65 1HG LYS 65 40.842 4.395 -5.219 469 HG3 LYS 65 2HG LYS 65 39.763 4.546 -6.596 470 HD2 LYS 65 1HD LYS 65 39.002 6.716 -5.018 471 HD3 LYS 65 2HD LYS 65 40.706 6.589 -4.632 472 HE2 LYS 65 1HE LYS 65 39.454 6.864 -7.406 473 HE3 LYS 65 2HE LYS 65 40.246 8.147 -6.508 474 HZ1 LYS 65 3HZ LYS 65 41.664 7.221 -8.179 475 HZ2 LYS 65 1HZ LYS 65 41.556 5.714 -7.544 476 HZ3 LYS 65 2HZ LYS 65 42.321 6.918 -6.702 477 H THR 66 H THR 66 35.882 2.349 -6.683 478 HA THR 66 HA THR 66 33.980 1.850 -4.656 479 HB THR 66 HB THR 66 33.313 0.128 -6.497 480 HG1 THR 66 1HG THR 66 34.394 0.487 -8.464 481 HG21 THR 66 3HG2 THR 66 33.649 3.056 -7.327 482 HG22 THR 66 1HG2 THR 66 32.346 2.434 -6.296 483 HG23 THR 66 2HG2 THR 66 32.480 1.889 -7.974 484 H SER 67 H SER 67 37.052 0.835 -4.385 485 HA SER 67 HA SER 67 37.149 -1.882 -4.191 486 HB2 SER 67 1HB SER 67 38.511 0.108 -2.345 487 HB3 SER 67 2HB SER 67 39.138 -1.460 -2.894 488 HG SER 67 HG SER 67 39.385 -0.624 -4.936 489 H ASN 68 H ASN 68 35.242 0.096 -1.986 490 HA ASN 68 HA ASN 68 34.783 -2.337 -0.383 491 HB2 ASN 68 1HB ASN 68 36.595 -0.770 0.703 492 HB3 ASN 68 2HB ASN 68 35.199 0.189 1.200 493 HD21 ASN 68 1HD2 ASN 68 37.028 -2.748 1.693 494 HD22 ASN 68 2HD2 ASN 68 36.153 -3.158 3.155 495 H CYS 69 H CYS 69 33.097 -1.724 -2.209 496 HA CYS 69 HA CYS 69 30.918 -0.062 -1.028 497 HB2 CYS 69 1HB CYS 69 31.549 -1.134 -3.810 498 HB3 CYS 69 2HB CYS 69 29.958 -0.520 -3.393 499 HG CYS 69 HG CYS 69 31.017 1.343 -4.670 500 H VAL 70 H VAL 70 28.763 -0.965 -1.018 501 HA VAL 70 HA VAL 70 28.458 -3.899 -1.160 502 HB VAL 70 HB VAL 70 27.855 -2.136 1.260 503 HG11 VAL 70 1HG1 VAL 70 26.641 -4.774 0.450 504 HG12 VAL 70 2HG1 VAL 70 26.798 -4.328 2.152 505 HG13 VAL 70 3HG1 VAL 70 25.830 -3.323 1.065 506 HG21 VAL 70 3HG2 VAL 70 30.088 -3.184 1.264 507 HG22 VAL 70 1HG2 VAL 70 29.054 -3.968 2.469 508 HG23 VAL 70 2HG2 VAL 70 29.351 -4.766 0.914 509 H VAL 71 H VAL 71 26.469 -4.427 -2.079 510 HA VAL 71 HA VAL 71 24.464 -2.282 -2.297 511 HB VAL 71 HB VAL 71 25.412 -1.972 -4.302 512 HG11 VAL 71 1HG1 VAL 71 26.224 -3.713 -5.917 513 HG12 VAL 71 2HG1 VAL 71 27.182 -3.500 -4.451 514 HG13 VAL 71 3HG1 VAL 71 26.095 -4.880 -4.588 515 HG21 VAL 71 3HG2 VAL 71 23.021 -2.539 -4.603 516 HG22 VAL 71 1HG2 VAL 71 23.985 -2.845 -6.055 517 HG23 VAL 71 2HG2 VAL 71 23.483 -4.202 -5.031 518 H LEU 72 H LEU 72 22.407 -2.978 -2.242 519 HA LEU 72 HA LEU 72 21.901 -5.878 -1.708 520 HB2 LEU 72 1HB LEU 72 22.131 -4.565 0.434 521 HB3 LEU 72 2HB LEU 72 20.852 -3.498 -0.142 522 HG LEU 72 HG LEU 72 19.305 -5.532 -0.169 523 HD11 LEU 72 1HD1 LEU 72 19.932 -7.424 1.292 524 HD12 LEU 72 2HD1 LEU 72 21.565 -6.755 1.477 525 HD13 LEU 72 3HD1 LEU 72 21.001 -7.332 -0.104 526 HD21 LEU 72 3HD2 LEU 72 19.336 -3.790 1.608 527 HD22 LEU 72 1HD2 LEU 72 20.542 -4.747 2.494 528 HD23 LEU 72 2HD2 LEU 72 18.909 -5.391 2.231 529 H LYS 73 H LYS 73 19.803 -6.576 -2.430 530 HA LYS 73 HA LYS 73 18.147 -4.520 -3.738 531 HB2 LYS 73 1HB LYS 73 17.919 -5.676 -5.781 532 HB3 LYS 73 2HB LYS 73 19.648 -5.583 -5.469 533 HG2 LYS 73 1HG LYS 73 19.584 -7.773 -6.088 534 HG3 LYS 73 2HG LYS 73 19.160 -8.012 -4.404 535 HD2 LYS 73 1HD LYS 73 17.437 -9.221 -5.237 536 HD3 LYS 73 2HD LYS 73 16.671 -7.662 -5.414 537 HE2 LYS 73 1HE LYS 73 16.280 -8.771 -7.441 538 HE3 LYS 73 2HE LYS 73 17.530 -7.585 -7.810 539 HZ1 LYS 73 3HZ LYS 73 18.020 -9.798 -8.743 540 HZ2 LYS 73 1HZ LYS 73 18.029 -10.491 -7.280 541 HZ3 LYS 73 2HZ LYS 73 19.174 -9.398 -7.686 542 H HIS 74 H HIS 74 16.041 -5.018 -3.925 543 HA HIS 74 HA HIS 74 15.058 -7.068 -1.985 544 HB2 HIS 74 1HB HIS 74 14.246 -4.530 -2.088 545 HB3 HIS 74 2HB HIS 74 13.215 -5.113 -3.393 546 HD1 HIS 74 1HD HIS 74 10.872 -6.079 -2.401 547 HD2 HIS 74 2HD HIS 74 14.193 -6.253 0.239 548 HE1 HIS 74 1HE HIS 74 10.065 -7.143 -0.261 549 H VAL 75 H VAL 75 14.463 -9.028 -2.879 550 HA VAL 75 HA VAL 75 14.647 -9.475 -5.678 551 HB VAL 75 HB VAL 75 13.602 -11.165 -3.389 552 HG11 VAL 75 1HG1 VAL 75 14.090 -12.016 -6.273 553 HG12 VAL 75 2HG1 VAL 75 13.696 -13.091 -4.915 554 HG13 VAL 75 3HG1 VAL 75 12.506 -11.910 -5.486 555 HG21 VAL 75 3HG2 VAL 75 15.700 -12.373 -3.673 556 HG22 VAL 75 1HG2 VAL 75 16.176 -11.302 -5.003 557 HG23 VAL 75 2HG2 VAL 75 16.024 -10.672 -3.345 558 HA PRO 76 HA PRO 76 9.923 -9.741 -6.040 559 HB2 PRO 76 1HB PRO 76 8.259 -8.936 -4.020 560 HB3 PRO 76 2HB PRO 76 8.987 -10.568 -4.069 561 HG2 PRO 76 1HG PRO 76 10.149 -8.098 -2.720 562 HG3 PRO 76 2HG PRO 76 9.688 -9.648 -1.898 563 HD2 PRO 76 1HD PRO 76 12.173 -9.250 -2.659 564 HD3 PRO 76 2HD PRO 76 11.402 -10.789 -3.163 565 H SER 77 H SER 77 11.529 -6.912 -4.868 566 HA SER 77 HA SER 77 9.452 -5.209 -6.247 567 HB2 SER 77 1HB SER 77 11.146 -4.174 -4.028 568 HB3 SER 77 2HB SER 77 9.654 -3.490 -4.690 569 HG SER 77 HG SER 77 9.149 -4.425 -2.770 570 H GLY 78 H GLY 78 12.664 -6.212 -6.377 571 HA2 GLY 78 1HA GLY 78 14.434 -5.604 -7.636 572 HA3 GLY 78 2HA GLY 78 13.315 -4.713 -8.653 573 H ILE 79 H ILE 79 13.365 -3.514 -5.385 574 HA ILE 79 HA ILE 79 14.616 -1.037 -6.241 575 HB ILE 79 HB ILE 79 13.878 -1.982 -3.429 576 HG12 ILE 79 1HG1 ILE 79 12.388 -0.197 -5.402 577 HG13 ILE 79 2HG1 ILE 79 11.897 -1.794 -4.841 578 HG21 ILE 79 1HG2 ILE 79 14.548 0.836 -4.414 579 HG22 ILE 79 2HG2 ILE 79 14.128 0.370 -2.754 580 HG23 ILE 79 3HG2 ILE 79 15.639 -0.180 -3.450 581 HD11 ILE 79 3HD1 ILE 79 10.543 -0.271 -3.649 582 HD12 ILE 79 1HD1 ILE 79 11.792 -0.731 -2.473 583 HD13 ILE 79 2HD1 ILE 79 11.893 0.825 -3.312 584 H VAL 80 H VAL 80 16.803 -0.559 -6.100 585 HA VAL 80 HA VAL 80 18.595 -2.452 -4.658 586 HB VAL 80 HB VAL 80 19.293 -1.039 -7.262 587 HG11 VAL 80 1HG1 VAL 80 21.234 -1.703 -5.948 588 HG12 VAL 80 2HG1 VAL 80 20.602 -3.355 -5.778 589 HG13 VAL 80 3HG1 VAL 80 21.107 -2.742 -7.364 590 HG21 VAL 80 3HG2 VAL 80 19.080 -3.274 -8.389 591 HG22 VAL 80 1HG2 VAL 80 18.207 -3.851 -6.953 592 HG23 VAL 80 2HG2 VAL 80 17.562 -2.514 -7.922 593 H VAL 81 H VAL 81 20.288 -1.448 -3.567 594 HA VAL 81 HA VAL 81 20.639 1.456 -3.907 595 HB VAL 81 HB VAL 81 18.832 1.195 -2.243 596 HG11 VAL 81 1HG1 VAL 81 20.975 0.134 -0.374 597 HG12 VAL 81 2HG1 VAL 81 19.252 0.442 -0.019 598 HG13 VAL 81 3HG1 VAL 81 19.709 -0.871 -1.117 599 HG21 VAL 81 3HG2 VAL 81 20.254 3.206 -2.357 600 HG22 VAL 81 1HG2 VAL 81 19.664 2.882 -0.727 601 HG23 VAL 81 2HG2 VAL 81 21.345 2.503 -1.139 602 H LYS 82 H LYS 82 22.662 2.186 -3.417 603 HA LYS 82 HA LYS 82 24.741 0.118 -2.876 604 HB2 LYS 82 1HB LYS 82 24.801 2.689 -4.527 605 HB3 LYS 82 2HB LYS 82 26.176 1.633 -4.253 606 HG2 LYS 82 1HG LYS 82 24.969 -0.222 -5.396 607 HG3 LYS 82 2HG LYS 82 23.618 0.853 -5.742 608 HD2 LYS 82 1HD LYS 82 26.492 1.351 -6.619 609 HD3 LYS 82 2HD LYS 82 25.313 0.497 -7.610 610 HE2 LYS 82 1HE LYS 82 25.008 3.378 -6.631 611 HE3 LYS 82 2HE LYS 82 25.609 2.891 -8.221 612 HZ1 LYS 82 3HZ LYS 82 23.466 1.724 -8.542 613 HZ2 LYS 82 1HZ LYS 82 23.309 3.350 -8.445 614 HZ3 LYS 82 2HZ LYS 82 22.878 2.413 -7.179 615 H CYS 83 H CYS 83 25.697 0.404 -0.910 616 HA CYS 83 HA CYS 83 25.901 3.208 0.179 617 HB2 CYS 83 1HB CYS 83 25.740 2.336 2.395 618 HB3 CYS 83 2HB CYS 83 24.364 1.719 1.469 619 HG CYS 83 HG CYS 83 26.017 -0.492 0.729 620 H HIS 84 H HIS 84 27.883 3.835 1.103 621 HA HIS 84 HA HIS 84 30.122 2.051 1.298 622 HB2 HIS 84 1HB HIS 84 31.557 3.442 -0.323 623 HB3 HIS 84 2HB HIS 84 30.533 2.158 -0.933 624 HD1 HIS 84 1HD HIS 84 30.170 5.982 -0.533 625 HD2 HIS 84 2HD HIS 84 29.005 2.717 -2.886 626 HE1 HIS 84 1HE HIS 84 28.868 6.973 -2.536 627 H GLN 85 H GLN 85 30.443 2.890 3.494 628 HA GLN 85 HA GLN 85 31.240 5.720 3.545 629 HB2 GLN 85 1HB GLN 85 29.815 6.328 4.973 630 HB3 GLN 85 2HB GLN 85 28.775 5.068 4.365 631 HG2 GLN 85 1HG GLN 85 29.438 3.687 6.333 632 HG3 GLN 85 2HG GLN 85 30.418 5.041 6.927 633 HE21 GLN 85 1HE2 GLN 85 28.900 4.627 8.886 634 HE22 GLN 85 2HE2 GLN 85 27.375 5.479 8.859 635 H THR 86 H THR 86 31.663 2.514 4.690 636 HA THR 86 HA THR 86 34.063 3.427 6.243 637 HB THR 86 HB THR 86 33.748 1.571 7.770 638 HG1 THR 86 1HG THR 86 31.473 0.972 6.178 639 HG21 THR 86 3HG2 THR 86 31.919 2.285 9.068 640 HG22 THR 86 1HG2 THR 86 31.057 2.933 7.669 641 HG23 THR 86 2HG2 THR 86 32.530 3.744 8.253 642 H ARG 87 H ARG 87 35.642 1.536 6.539 643 HA ARG 87 HA ARG 87 36.093 0.322 3.870 644 HB2 ARG 87 1HB ARG 87 38.374 -0.025 4.575 645 HB3 ARG 87 2HB ARG 87 37.908 1.635 4.866 646 HG2 ARG 87 1HG ARG 87 39.225 1.044 6.708 647 HG3 ARG 87 2HG ARG 87 37.572 1.012 7.340 648 HD2 ARG 87 1HD ARG 87 37.538 -1.433 7.195 649 HD3 ARG 87 2HD ARG 87 39.109 -1.446 6.369 650 HE ARG 87 HE ARG 87 39.384 -0.185 8.897 651 HH11 ARG 87 1HH1 ARG 87 38.658 -3.388 7.487 652 HH12 ARG 87 2HH1 ARG 87 39.040 -4.262 8.915 653 HH21 ARG 87 1HH2 ARG 87 39.881 -1.428 10.876 654 HH22 ARG 87 2HH2 ARG 87 39.606 -3.138 10.822 655 H SER 88 H SER 88 34.312 -0.519 6.475 656 HA SER 88 HA SER 88 35.158 -3.352 6.664 657 HB2 SER 88 1HB SER 88 33.306 -1.525 8.227 658 HB3 SER 88 2HB SER 88 33.505 -3.236 8.600 659 HG SER 88 HG SER 88 34.669 -1.634 9.828 660 H VAL 89 H VAL 89 34.114 -4.578 5.142 661 HA VAL 89 HA VAL 89 31.823 -3.755 3.708 662 HB VAL 89 HB VAL 89 33.502 -5.448 3.009 663 HG11 VAL 89 1HG1 VAL 89 32.067 -7.422 4.830 664 HG12 VAL 89 2HG1 VAL 89 33.330 -7.785 3.648 665 HG13 VAL 89 3HG1 VAL 89 33.720 -6.803 5.062 666 HG21 VAL 89 3HG2 VAL 89 31.953 -6.967 1.853 667 HG22 VAL 89 1HG2 VAL 89 30.618 -6.388 2.878 668 HG23 VAL 89 2HG2 VAL 89 31.463 -5.280 1.765 669 H ASP 90 H ASP 90 32.207 -5.654 6.658 670 HA ASP 90 HA ASP 90 29.605 -6.511 7.143 671 HB2 ASP 90 1HB ASP 90 31.848 -5.696 9.044 672 HB3 ASP 90 2HB ASP 90 30.363 -6.468 9.586 673 H GLN 91 H GLN 91 31.078 -3.327 7.939 674 HA GLN 91 HA GLN 91 28.746 -2.417 9.421 675 HB2 GLN 91 1HB GLN 91 31.325 -1.162 8.435 676 HB3 GLN 91 2HB GLN 91 30.051 -0.252 9.216 677 HG2 GLN 91 1HG GLN 91 30.192 -1.537 11.231 678 HG3 GLN 91 2HG GLN 91 31.320 -2.692 10.502 679 HE21 GLN 91 1HE2 GLN 91 31.004 0.740 11.520 680 HE22 GLN 91 2HE2 GLN 91 32.664 0.833 12.070 681 H ASN 92 H ASN 92 29.987 -2.280 6.091 682 HA ASN 92 HA ASN 92 28.205 -0.118 5.337 683 HB2 ASN 92 1HB ASN 92 29.787 -2.090 3.678 684 HB3 ASN 92 2HB ASN 92 28.741 -0.842 2.992 685 HD21 ASN 92 1HD2 ASN 92 31.838 -1.194 2.852 686 HD22 ASN 92 2HD2 ASN 92 32.420 0.313 3.384 687 H ARG 93 H ARG 93 28.049 -3.712 5.235 688 HA ARG 93 HA ARG 93 25.653 -4.111 3.925 689 HB2 ARG 93 1HB ARG 93 26.804 -5.549 6.332 690 HB3 ARG 93 2HB ARG 93 25.331 -6.095 5.533 691 HG2 ARG 93 1HG ARG 93 26.456 -6.465 3.447 692 HG3 ARG 93 2HG ARG 93 27.925 -5.682 4.009 693 HD2 ARG 93 1HD ARG 93 28.492 -7.894 4.207 694 HD3 ARG 93 2HD ARG 93 27.992 -7.533 5.855 695 HE ARG 93 HE ARG 93 26.347 -8.914 3.752 696 HH11 ARG 93 1HH1 ARG 93 27.123 -8.661 7.246 697 HH12 ARG 93 2HH1 ARG 93 26.153 -10.048 7.617 698 HH21 ARG 93 1HH2 ARG 93 25.243 -10.703 4.267 699 HH22 ARG 93 2HH2 ARG 93 24.892 -11.152 5.899 700 H LYS 94 H LYS 94 25.798 -3.404 7.507 701 HA LYS 94 HA LYS 94 22.994 -3.506 7.781 702 HB2 LYS 94 1HB LYS 94 23.359 -2.067 9.820 703 HB3 LYS 94 2HB LYS 94 24.232 -3.592 9.735 704 HG2 LYS 94 1HG LYS 94 26.280 -2.427 9.037 705 HG3 LYS 94 2HG LYS 94 25.446 -0.872 9.235 706 HD2 LYS 94 1HD LYS 94 25.989 -3.008 11.352 707 HD3 LYS 94 2HD LYS 94 26.891 -1.499 11.177 708 HE2 LYS 94 1HE LYS 94 23.943 -1.762 11.884 709 HE3 LYS 94 2HE LYS 94 25.249 -1.441 13.028 710 HZ1 LYS 94 3HZ LYS 94 24.305 0.336 10.883 711 HZ2 LYS 94 1HZ LYS 94 25.677 0.624 11.735 712 HZ3 LYS 94 2HZ LYS 94 24.217 0.601 12.498 713 H ILE 95 H ILE 95 24.976 -0.810 6.626 714 HA ILE 95 HA ILE 95 22.982 1.197 6.777 715 HB ILE 95 HB ILE 95 25.266 1.010 4.779 716 HG12 ILE 95 1HG1 ILE 95 25.238 2.410 7.491 717 HG13 ILE 95 2HG1 ILE 95 25.912 0.806 7.270 718 HG21 ILE 95 1HG2 ILE 95 23.726 3.431 5.825 719 HG22 ILE 95 2HG2 ILE 95 25.098 3.472 4.699 720 HG23 ILE 95 3HG2 ILE 95 23.582 2.733 4.200 721 HD11 ILE 95 3HD1 ILE 95 27.460 1.790 5.510 722 HD12 ILE 95 1HD1 ILE 95 26.930 3.366 6.087 723 HD13 ILE 95 2HD1 ILE 95 27.748 2.234 7.207 724 H ALA 96 H ALA 96 23.948 -0.997 4.070 725 HA ALA 96 HA ALA 96 21.977 -0.054 2.265 726 HB1 ALA 96 1HB ALA 96 23.154 -2.875 2.467 727 HB2 ALA 96 2HB ALA 96 22.306 -2.181 1.065 728 HB3 ALA 96 3HB ALA 96 23.863 -1.528 1.563 729 H ARG 97 H ARG 97 21.792 -2.692 4.701 730 HA ARG 97 HA ARG 97 19.150 -3.558 4.059 731 HB2 ARG 97 1HB ARG 97 21.035 -4.544 5.655 732 HB3 ARG 97 2HB ARG 97 20.208 -3.599 6.897 733 HG2 ARG 97 1HG ARG 97 18.037 -4.786 6.129 734 HG3 ARG 97 2HG ARG 97 19.079 -5.790 5.115 735 HD2 ARG 97 1HD ARG 97 19.017 -7.125 6.929 736 HD3 ARG 97 2HD ARG 97 20.410 -6.158 7.410 737 HE ARG 97 HE ARG 97 17.872 -5.039 8.334 738 HH11 ARG 97 1HH1 ARG 97 20.047 -7.775 9.053 739 HH12 ARG 97 2HH1 ARG 97 19.091 -8.267 10.407 740 HH21 ARG 97 1HH2 ARG 97 16.847 -5.537 10.184 741 HH22 ARG 97 2HH2 ARG 97 17.254 -6.964 11.092 742 H LYS 98 H LYS 98 20.209 -1.182 6.570 743 HA LYS 98 HA LYS 98 17.508 -0.694 7.337 744 HB2 LYS 98 1HB LYS 98 18.266 1.061 8.732 745 HB3 LYS 98 2HB LYS 98 19.370 -0.289 8.832 746 HG2 LYS 98 1HG LYS 98 20.877 1.411 8.793 747 HG3 LYS 98 2HG LYS 98 20.810 1.026 7.107 748 HD2 LYS 98 1HD LYS 98 20.886 3.411 7.362 749 HD3 LYS 98 2HD LYS 98 19.285 3.013 6.747 750 HE2 LYS 98 1HE LYS 98 18.401 3.096 9.082 751 HE3 LYS 98 2HE LYS 98 19.989 3.638 9.642 752 HZ1 LYS 98 3HZ LYS 98 18.530 5.493 9.292 753 HZ2 LYS 98 1HZ LYS 98 18.212 5.046 7.736 754 HZ3 LYS 98 2HZ LYS 98 19.701 5.546 8.103 755 H VAL 99 H VAL 99 19.568 1.029 4.898 756 HA VAL 99 HA VAL 99 17.491 3.016 4.586 757 HB VAL 99 HB VAL 99 20.004 3.261 4.095 758 HG11 VAL 99 1HG1 VAL 99 20.236 1.264 2.661 759 HG12 VAL 99 2HG1 VAL 99 19.281 2.094 1.410 760 HG13 VAL 99 3HG1 VAL 99 20.845 2.745 1.921 761 HG21 VAL 99 3HG2 VAL 99 19.542 4.824 2.144 762 HG22 VAL 99 1HG2 VAL 99 17.872 4.208 2.129 763 HG23 VAL 99 2HG2 VAL 99 18.485 5.047 3.551 764 H LEU 100 H LEU 100 18.269 -0.087 2.900 765 HA LEU 100 HA LEU 100 16.435 0.288 0.777 766 HB2 LEU 100 1HB LEU 100 18.149 -1.482 0.739 767 HB3 LEU 100 2HB LEU 100 17.391 -2.274 2.112 768 HG LEU 100 HG LEU 100 15.402 -2.771 0.777 769 HD11 LEU 100 1HD1 LEU 100 16.868 -1.407 -1.524 770 HD12 LEU 100 2HD1 LEU 100 15.319 -0.894 -0.786 771 HD13 LEU 100 3HD1 LEU 100 15.403 -2.404 -1.683 772 HD21 LEU 100 3HD2 LEU 100 17.952 -3.600 -0.632 773 HD22 LEU 100 1HD2 LEU 100 16.362 -4.382 -0.800 774 HD23 LEU 100 2HD2 LEU 100 17.172 -4.409 0.761 775 H GLN 101 H GLN 101 16.036 -1.152 4.037 776 HA GLN 101 HA GLN 101 13.443 -2.056 3.880 777 HB2 GLN 101 1HB GLN 101 14.880 -2.434 5.800 778 HB3 GLN 101 2HB GLN 101 14.930 -0.709 6.151 779 HG2 GLN 101 1HG GLN 101 13.546 -1.846 7.746 780 HG3 GLN 101 2HG GLN 101 12.592 -0.703 6.814 781 HE21 GLN 101 1HE2 GLN 101 12.408 -3.712 8.179 782 HE22 GLN 101 2HE2 GLN 101 10.948 -4.013 7.281 783 H GLU 102 H GLU 102 14.401 1.358 4.666 784 HA GLU 102 HA GLU 102 11.767 2.266 5.124 785 HB2 GLU 102 1HB GLU 102 14.057 3.854 3.895 786 HB3 GLU 102 2HB GLU 102 12.663 4.500 4.792 787 HG2 GLU 102 1HG GLU 102 13.456 3.198 6.799 788 HG3 GLU 102 2HG GLU 102 14.897 2.792 5.890 789 H LYS 103 H LYS 103 13.524 1.819 2.147 790 HA LYS 103 HA LYS 103 11.557 3.142 0.432 791 HB2 LYS 103 1HB LYS 103 13.866 1.311 -0.315 792 HB3 LYS 103 2HB LYS 103 12.970 2.387 -1.403 793 HG2 LYS 103 1HG LYS 103 13.779 4.345 0.023 794 HG3 LYS 103 2HG LYS 103 14.740 3.205 0.935 795 HD2 LYS 103 1HD LYS 103 15.843 2.540 -1.289 796 HD3 LYS 103 2HD LYS 103 15.081 3.989 -1.972 797 HE2 LYS 103 1HE LYS 103 17.008 3.821 0.398 798 HE3 LYS 103 2HE LYS 103 17.394 4.459 -1.209 799 HZ1 LYS 103 3HZ LYS 103 15.708 6.215 -0.771 800 HZ2 LYS 103 1HZ LYS 103 16.933 6.269 0.338 801 HZ3 LYS 103 2HZ LYS 103 15.518 5.637 0.770 802 H VAL 104 H VAL 104 12.245 -0.164 1.530 803 HA VAL 104 HA VAL 104 10.577 -1.568 -0.310 804 HB VAL 104 HB VAL 104 11.567 -2.210 2.503 805 HG11 VAL 104 1HG1 VAL 104 9.618 -3.609 2.148 806 HG12 VAL 104 2HG1 VAL 104 10.247 -4.134 0.565 807 HG13 VAL 104 3HG1 VAL 104 11.078 -4.577 2.058 808 HG21 VAL 104 3HG2 VAL 104 12.664 -3.776 0.262 809 HG22 VAL 104 1HG2 VAL 104 13.132 -2.078 0.267 810 HG23 VAL 104 2HG2 VAL 104 13.430 -3.105 1.693 811 H ASP 105 H ASP 105 10.165 -0.464 3.059 812 HA ASP 105 HA ASP 105 7.593 -1.250 3.592 813 HB2 ASP 105 1HB ASP 105 9.533 0.634 4.696 814 HB3 ASP 105 2HB ASP 105 7.928 1.319 4.795 815 H VAL 106 H VAL 106 8.500 2.051 2.503 816 HA VAL 106 HA VAL 106 5.831 2.832 2.123 817 HB VAL 106 HB VAL 106 7.779 4.305 2.412 818 HG11 VAL 106 1HG1 VAL 106 9.125 5.049 0.580 819 HG12 VAL 106 2HG1 VAL 106 9.298 3.291 0.719 820 HG13 VAL 106 3HG1 VAL 106 8.274 3.986 -0.561 821 HG21 VAL 106 3HG2 VAL 106 6.921 6.112 0.894 822 HG22 VAL 106 1HG2 VAL 106 5.945 4.905 0.069 823 HG23 VAL 106 2HG2 VAL 106 5.645 5.247 1.783 824 H PHE 107 H PHE 107 7.874 0.937 -0.075 825 HA PHE 107 HA PHE 107 6.245 1.446 -2.405 826 HB2 PHE 107 1HB PHE 107 8.583 0.491 -2.316 827 HB3 PHE 107 2HB PHE 107 7.878 -1.014 -1.779 828 HD1 PHE 107 2HD PHE 107 7.816 1.487 -4.554 829 HD2 PHE 107 1HD PHE 107 6.933 -2.569 -3.365 830 HE1 PHE 107 2HE PHE 107 7.532 0.853 -6.934 831 HE2 PHE 107 1HE PHE 107 6.594 -3.169 -5.747 832 HZ PHE 107 HZ PHE 107 6.946 -1.490 -7.518 833 H TYR 108 H TYR 108 6.063 -0.901 0.287 834 HA TYR 108 HA TYR 108 3.774 -2.273 -0.910 835 HB2 TYR 108 1HB TYR 108 5.264 -2.584 1.709 836 HB3 TYR 108 2HB TYR 108 3.761 -3.429 1.368 837 HD1 TYR 108 2HD TYR 108 3.681 -4.540 -1.131 838 HD2 TYR 108 1HD TYR 108 7.190 -3.932 1.305 839 HE1 TYR 108 2HE TYR 108 4.845 -6.288 -2.404 840 HE2 TYR 108 1HE TYR 108 8.362 -5.728 0.025 841 HH TYR 108 HH TYR 108 6.752 -7.590 -2.573 842 H ASN 109 H ASN 109 4.352 0.079 1.726 843 HA ASN 109 HA ASN 109 1.617 0.183 2.630 844 HB2 ASN 109 1HB ASN 109 3.838 2.224 3.017 845 HB3 ASN 109 2HB ASN 109 2.354 2.094 3.962 846 HD21 ASN 109 1HD2 ASN 109 5.186 2.013 4.866 847 HD22 ASN 109 2HD2 ASN 109 5.495 0.448 5.574 848 H SER 110 H SER 110 3.197 1.623 -0.106 849 HA SER 110 HA SER 110 0.866 3.371 -0.569 850 HB2 SER 110 1HB SER 110 3.758 4.209 -0.990 851 HB3 SER 110 2HB SER 110 2.301 5.165 -1.271 852 HG SER 110 HG SER 110 3.395 5.692 0.638 853 H GLY 111 H GLY 111 0.077 1.808 -2.068 854 HA2 GLY 111 1HA GLY 111 1.136 2.033 -4.706 855 HA3 GLY 111 2HA GLY 111 1.459 0.431 -4.016 856 HA PRO 112 HA PRO 112 -2.963 0.720 -5.623 857 HB2 PRO 112 1HB PRO 112 -2.849 -1.076 -7.686 858 HB3 PRO 112 2HB PRO 112 -2.329 0.622 -7.880 859 HG2 PRO 112 1HG PRO 112 -0.600 -1.804 -7.301 860 HG3 PRO 112 2HG PRO 112 -0.355 -0.550 -8.555 861 HD2 PRO 112 1HD PRO 112 0.921 -0.470 -6.142 862 HD3 PRO 112 2HD PRO 112 0.386 1.028 -6.966 863 H SER 113 H SER 113 -4.541 -1.023 -5.531 864 HA SER 113 HA SER 113 -3.694 -3.262 -3.742 865 HB2 SER 113 1HB SER 113 -6.465 -2.111 -4.198 866 HB3 SER 113 2HB SER 113 -5.996 -3.344 -3.015 867 HG SER 113 HG SER 113 -5.305 -0.601 -3.128 868 H SER 114 H SER 114 -5.630 -2.488 -6.692 869 HA SER 114 HA SER 114 -5.043 -5.206 -7.712 870 HB2 SER 114 1HB SER 114 -7.360 -5.720 -8.128 871 HB3 SER 114 2HB SER 114 -7.187 -5.358 -6.411 872 HG SER 114 HG SER 114 -7.982 -3.474 -8.394 873 H GLY 115 H GLY 115 -5.234 -1.856 -8.291 874 HA2 GLY 115 1HA GLY 115 -4.978 -0.656 -10.218 875 HA3 GLY 115 2HA GLY 115 -4.814 -2.187 -11.116 Start of MODEL 14 1 H1 GLY 1 H GLY 1 26.628 24.807 37.469 2 HA2 GLY 1 1HA GLY 1 27.437 22.496 37.553 3 HA3 GLY 1 2HA GLY 1 28.308 22.926 39.048 4 H SER 2 H SER 2 26.186 20.836 38.748 5 HA SER 2 HA SER 2 24.436 21.675 40.896 6 HB2 SER 2 1HB SER 2 22.564 20.561 39.298 7 HB3 SER 2 2HB SER 2 22.871 22.300 39.349 8 HG SER 2 HG SER 2 22.761 21.357 37.225 9 H SER 3 H SER 3 22.940 19.415 41.170 10 HA SER 3 HA SER 3 24.425 17.036 40.586 11 HB2 SER 3 1HB SER 3 25.613 18.182 42.628 12 HB3 SER 3 2HB SER 3 24.164 17.722 43.539 13 HG SER 3 HG SER 3 26.113 16.119 42.276 14 H GLY 4 H GLY 4 23.191 15.435 42.577 15 HA2 GLY 4 1HA GLY 4 20.266 15.892 42.310 16 HA3 GLY 4 2HA GLY 4 20.987 14.360 41.765 17 H SER 5 H SER 5 19.148 14.164 43.756 18 HA SER 5 HA SER 5 20.729 13.180 46.015 19 HB2 SER 5 1HB SER 5 18.662 15.380 46.413 20 HB3 SER 5 2HB SER 5 19.408 14.421 47.703 21 HG SER 5 HG SER 5 21.315 15.435 46.078 22 H SER 6 H SER 6 19.932 11.259 44.902 23 HA SER 6 HA SER 6 17.118 10.673 44.698 24 HB2 SER 6 1HB SER 6 17.996 8.342 44.371 25 HB3 SER 6 2HB SER 6 18.760 9.526 43.297 26 HG SER 6 HG SER 6 19.954 9.067 45.789 27 H GLY 7 H GLY 7 15.925 9.207 46.082 28 HA2 GLY 7 1HA GLY 7 17.027 8.758 48.822 29 HA3 GLY 7 2HA GLY 7 15.394 9.373 48.523 30 H LYS 8 H LYS 8 13.749 7.904 47.832 31 HA LYS 8 HA LYS 8 14.513 5.251 46.966 32 HB2 LYS 8 1HB LYS 8 13.371 3.983 48.678 33 HB3 LYS 8 2HB LYS 8 14.731 4.851 49.324 34 HG2 LYS 8 1HG LYS 8 11.821 5.689 49.667 35 HG3 LYS 8 2HG LYS 8 12.730 4.708 50.804 36 HD2 LYS 8 1HD LYS 8 13.128 7.621 50.156 37 HD3 LYS 8 2HD LYS 8 12.674 6.919 51.685 38 HE2 LYS 8 1HE LYS 8 15.398 6.637 50.331 39 HE3 LYS 8 2HE LYS 8 15.011 7.771 51.629 40 HZ1 LYS 8 3HZ LYS 8 14.973 4.814 51.832 41 HZ2 LYS 8 1HZ LYS 8 14.562 5.839 53.052 42 HZ3 LYS 8 2HZ LYS 8 16.100 5.799 52.460 43 H TRP 9 H TRP 9 12.508 3.865 46.669 44 HA TRP 9 HA TRP 9 10.229 5.428 45.611 45 HB2 TRP 9 1HB TRP 9 10.316 4.002 43.646 46 HB3 TRP 9 2HB TRP 9 11.823 4.876 43.821 47 HD1 TRP 9 HD TRP 9 13.961 3.350 44.829 48 HE1 TRP 9 1HE TRP 9 14.522 0.868 44.474 49 HE3 TRP 9 3HE TRP 9 9.412 1.766 43.174 50 HZ2 TRP 9 2HZ TRP 9 13.097 -1.549 43.678 51 HZ3 TRP 9 3HZ TRP 9 9.043 -0.631 42.567 52 HH2 TRP 9 HH TRP 9 10.861 -2.283 42.858 53 H GLY 10 H GLY 10 8.390 3.816 45.200 54 HA2 GLY 10 1HA GLY 10 8.305 1.712 47.344 55 HA3 GLY 10 2HA GLY 10 6.977 2.817 47.012 56 H LEU 11 H LEU 11 5.922 2.654 44.900 57 HA LEU 11 HA LEU 11 4.529 1.380 43.666 58 HB2 LEU 11 1HB LEU 11 7.245 0.967 42.537 59 HB3 LEU 11 2HB LEU 11 5.778 0.474 41.668 60 HG LEU 11 HG LEU 11 6.277 3.286 42.635 61 HD11 LEU 11 1HD1 LEU 11 6.731 2.068 39.864 62 HD12 LEU 11 2HD1 LEU 11 7.982 2.680 40.965 63 HD13 LEU 11 3HD1 LEU 11 6.820 3.798 40.239 64 HD21 LEU 11 3HD2 LEU 11 4.481 3.918 41.073 65 HD22 LEU 11 1HD2 LEU 11 3.867 2.754 42.219 66 HD23 LEU 11 2HD2 LEU 11 4.280 2.219 40.576 67 H ARG 12 H ARG 12 4.723 0.095 45.724 68 HA ARG 12 HA ARG 12 5.157 -2.824 45.094 69 HB2 ARG 12 1HB ARG 12 5.059 -3.460 47.287 70 HB3 ARG 12 2HB ARG 12 5.970 -1.970 47.370 71 HG2 ARG 12 1HG ARG 12 3.003 -2.354 48.039 72 HG3 ARG 12 2HG ARG 12 4.308 -2.338 49.216 73 HD2 ARG 12 1HD ARG 12 3.586 0.005 47.424 74 HD3 ARG 12 2HD ARG 12 3.052 -0.225 49.100 75 HE ARG 12 HE ARG 12 5.964 -0.333 48.641 76 HH11 ARG 12 1HH1 ARG 12 3.272 1.681 49.761 77 HH12 ARG 12 2HH1 ARG 12 4.267 2.702 50.742 78 HH21 ARG 12 1HH2 ARG 12 7.224 0.891 49.831 79 HH22 ARG 12 2HH2 ARG 12 6.686 2.250 50.788 80 H LEU 13 H LEU 13 3.327 -4.358 45.439 81 HA LEU 13 HA LEU 13 0.703 -3.117 44.894 82 HB2 LEU 13 1HB LEU 13 2.157 -5.534 43.756 83 HB3 LEU 13 2HB LEU 13 0.421 -5.609 43.923 84 HG LEU 13 HG LEU 13 1.112 -5.005 41.660 85 HD11 LEU 13 1HD1 LEU 13 -0.406 -2.725 42.996 86 HD12 LEU 13 2HD1 LEU 13 -1.102 -4.295 42.528 87 HD13 LEU 13 3HD1 LEU 13 -0.465 -3.202 41.291 88 HD21 LEU 13 3HD2 LEU 13 2.058 -2.878 41.070 89 HD22 LEU 13 1HD2 LEU 13 3.134 -3.643 42.242 90 HD23 LEU 13 2HD2 LEU 13 2.057 -2.321 42.751 91 H GLN 14 H GLN 14 -1.101 -4.164 45.889 92 HA GLN 14 HA GLN 14 -0.459 -6.113 47.981 93 HB2 GLN 14 1HB GLN 14 -0.343 -3.426 48.536 94 HB3 GLN 14 2HB GLN 14 -2.081 -3.683 48.720 95 HG2 GLN 14 1HG GLN 14 -1.430 -4.128 50.866 96 HG3 GLN 14 2HG GLN 14 -1.219 -5.761 50.235 97 HE21 GLN 14 1HE2 GLN 14 1.308 -5.243 48.721 98 HE22 GLN 14 2HE2 GLN 14 2.515 -4.840 49.867 99 H GLU 15 H GLU 15 -2.214 -7.492 48.309 100 HA GLU 15 HA GLU 15 -4.851 -6.890 47.252 101 HB2 GLU 15 1HB GLU 15 -3.901 -7.761 45.301 102 HB3 GLU 15 2HB GLU 15 -2.812 -8.838 46.136 103 HG2 GLU 15 1HG GLU 15 -5.817 -9.261 45.961 104 HG3 GLU 15 2HG GLU 15 -4.653 -9.930 44.821 105 H LYS 16 H LYS 16 -6.292 -8.753 47.981 106 HA LYS 16 HA LYS 16 -5.573 -10.532 49.985 107 HB2 LYS 16 1HB LYS 16 -7.365 -8.130 50.678 108 HB3 LYS 16 2HB LYS 16 -7.394 -9.644 51.560 109 HG2 LYS 16 1HG LYS 16 -5.027 -7.750 51.372 110 HG3 LYS 16 2HG LYS 16 -6.107 -7.897 52.729 111 HD2 LYS 16 1HD LYS 16 -5.147 -9.804 53.545 112 HD3 LYS 16 2HD LYS 16 -4.852 -10.492 51.962 113 HE2 LYS 16 1HE LYS 16 -2.747 -10.020 53.124 114 HE3 LYS 16 2HE LYS 16 -2.897 -9.165 51.589 115 HZ1 LYS 16 3HZ LYS 16 -3.381 -7.958 54.238 116 HZ2 LYS 16 1HZ LYS 16 -3.513 -7.196 52.777 117 HZ3 LYS 16 2HZ LYS 16 -2.045 -7.725 53.292 118 HA PRO 17 HA PRO 17 -8.891 -11.976 47.445 119 HB2 PRO 17 1HB PRO 17 -9.745 -14.228 48.782 120 HB3 PRO 17 2HB PRO 17 -8.192 -14.132 47.895 121 HG2 PRO 17 1HG PRO 17 -8.669 -13.739 50.868 122 HG3 PRO 17 2HG PRO 17 -7.419 -14.749 50.070 123 HD2 PRO 17 1HD PRO 17 -6.875 -12.228 50.970 124 HD3 PRO 17 2HD PRO 17 -6.149 -12.846 49.449 125 H ALA 18 H ALA 18 -11.179 -11.978 47.327 126 HA ALA 18 HA ALA 18 -12.815 -11.351 49.662 127 HB1 ALA 18 1HB ALA 18 -11.993 -9.131 48.852 128 HB2 ALA 18 2HB ALA 18 -12.588 -9.515 47.222 129 HB3 ALA 18 3HB ALA 18 -13.732 -9.320 48.567 130 H LEU 19 H LEU 19 -15.195 -11.071 48.632 131 HA LEU 19 HA LEU 19 -15.758 -13.568 47.285 132 HB2 LEU 19 1HB LEU 19 -17.348 -12.525 48.890 133 HB3 LEU 19 2HB LEU 19 -17.488 -11.111 47.837 134 HG LEU 19 HG LEU 19 -18.525 -12.521 46.063 135 HD11 LEU 19 1HD1 LEU 19 -19.328 -14.804 46.649 136 HD12 LEU 19 2HD1 LEU 19 -18.393 -14.743 48.161 137 HD13 LEU 19 3HD1 LEU 19 -17.574 -14.735 46.581 138 HD21 LEU 19 3HD2 LEU 19 -20.678 -12.838 47.198 139 HD22 LEU 19 1HD2 LEU 19 -19.923 -11.318 47.693 140 HD23 LEU 19 2HD2 LEU 19 -19.882 -12.722 48.784 141 H LEU 20 H LEU 20 -16.038 -13.969 45.140 142 HA LEU 20 HA LEU 20 -16.053 -11.752 43.210 143 HB2 LEU 20 1HB LEU 20 -14.510 -13.003 41.836 144 HB3 LEU 20 2HB LEU 20 -13.742 -12.583 43.352 145 HG LEU 20 HG LEU 20 -15.039 -15.311 43.181 146 HD11 LEU 20 1HD1 LEU 20 -13.911 -15.137 40.996 147 HD12 LEU 20 2HD1 LEU 20 -13.069 -16.276 42.052 148 HD13 LEU 20 3HD1 LEU 20 -12.401 -14.645 41.800 149 HD21 LEU 20 3HD2 LEU 20 -12.407 -14.342 44.363 150 HD22 LEU 20 1HD2 LEU 20 -13.045 -15.997 44.461 151 HD23 LEU 20 2HD2 LEU 20 -13.898 -14.676 45.255 152 H PHE 21 H PHE 21 -16.677 -12.664 41.019 153 HA PHE 21 HA PHE 21 -19.131 -14.216 41.324 154 HB2 PHE 21 1HB PHE 21 -17.756 -12.694 39.084 155 HB3 PHE 21 2HB PHE 21 -19.047 -13.802 38.705 156 HD1 PHE 21 2HD PHE 21 -18.273 -10.752 40.764 157 HD2 PHE 21 1HD PHE 21 -21.337 -13.216 38.979 158 HE1 PHE 21 2HE PHE 21 -19.983 -9.063 41.352 159 HE2 PHE 21 1HE PHE 21 -23.039 -11.519 39.571 160 HZ PHE 21 HZ PHE 21 -22.370 -9.440 40.762 161 HA PRO 22 HA PRO 22 -17.301 -18.057 40.081 162 HB2 PRO 22 1HB PRO 22 -19.345 -19.404 38.868 163 HB3 PRO 22 2HB PRO 22 -19.421 -18.937 40.592 164 HG2 PRO 22 1HG PRO 22 -20.598 -17.457 38.211 165 HG3 PRO 22 2HG PRO 22 -21.425 -17.935 39.730 166 HD2 PRO 22 1HD PRO 22 -20.366 -15.447 39.360 167 HD3 PRO 22 2HD PRO 22 -20.333 -16.238 40.961 168 H GLY 23 H GLY 23 -17.308 -19.589 37.914 169 HA2 GLY 23 1HA GLY 23 -15.839 -18.154 35.950 170 HA3 GLY 23 2HA GLY 23 -16.491 -19.800 35.768 171 H MET 24 H MET 24 -16.411 -17.508 33.832 172 HA MET 24 HA MET 24 -19.276 -17.434 33.087 173 HB2 MET 24 1HB MET 24 -17.291 -15.116 33.151 174 HB3 MET 24 2HB MET 24 -18.849 -15.054 32.324 175 HG2 MET 24 1HG MET 24 -20.054 -15.380 34.400 176 HG3 MET 24 2HG MET 24 -18.558 -15.576 35.305 177 HE1 MET 24 3HE MET 24 -17.078 -12.085 35.675 178 HE2 MET 24 1HE MET 24 -17.116 -13.768 36.251 179 HE3 MET 24 2HE MET 24 -16.560 -13.401 34.601 180 H ALA 25 H ALA 25 -19.343 -16.554 30.638 181 HA ALA 25 HA ALA 25 -17.100 -17.407 29.006 182 HB1 ALA 25 1HB ALA 25 -18.504 -19.455 29.187 183 HB2 ALA 25 2HB ALA 25 -19.965 -18.503 28.831 184 HB3 ALA 25 3HB ALA 25 -18.710 -18.702 27.591 185 H ALA 26 H ALA 26 -16.914 -15.588 27.716 186 HA ALA 26 HA ALA 26 -19.330 -13.930 27.349 187 HB1 ALA 26 1HB ALA 26 -17.924 -11.912 27.574 188 HB2 ALA 26 2HB ALA 26 -17.851 -12.900 29.043 189 HB3 ALA 26 3HB ALA 26 -16.500 -12.926 27.883 190 H SER 27 H SER 27 -18.748 -12.255 25.473 191 HA SER 27 HA SER 27 -18.403 -13.746 23.090 192 HB2 SER 27 1HB SER 27 -19.655 -11.528 23.499 193 HB3 SER 27 2HB SER 27 -18.074 -10.732 23.396 194 HG SER 27 HG SER 27 -19.533 -12.170 21.428 195 H THR 28 H THR 28 -16.651 -13.947 21.683 196 HA THR 28 HA THR 28 -13.990 -13.794 22.803 197 HB THR 28 HB THR 28 -13.401 -14.775 20.567 198 HG1 THR 28 1HG THR 28 -15.048 -13.685 19.391 199 HG21 THR 28 3HG2 THR 28 -14.527 -16.886 20.857 200 HG22 THR 28 1HG2 THR 28 -15.882 -16.135 21.725 201 HG23 THR 28 2HG2 THR 28 -14.276 -16.206 22.469 202 H VAL 29 H VAL 29 -12.272 -12.909 20.832 203 HA VAL 29 HA VAL 29 -12.588 -10.076 21.026 204 HB VAL 29 HB VAL 29 -10.672 -9.934 19.470 205 HG11 VAL 29 1HG1 VAL 29 -9.078 -11.134 21.011 206 HG12 VAL 29 2HG1 VAL 29 -10.238 -10.044 21.791 207 HG13 VAL 29 3HG1 VAL 29 -10.478 -11.786 21.868 208 HG21 VAL 29 3HG2 VAL 29 -9.479 -11.975 18.757 209 HG22 VAL 29 1HG2 VAL 29 -10.834 -12.974 19.314 210 HG23 VAL 29 2HG2 VAL 29 -11.066 -11.833 17.992 211 H GLN 30 H GLN 30 -12.895 -8.506 19.374 212 HA GLN 30 HA GLN 30 -14.417 -9.406 17.001 213 HB2 GLN 30 1HB GLN 30 -16.092 -7.744 17.396 214 HB3 GLN 30 2HB GLN 30 -15.958 -8.759 18.822 215 HG2 GLN 30 1HG GLN 30 -14.537 -6.983 19.915 216 HG3 GLN 30 2HG GLN 30 -14.794 -5.958 18.507 217 HE21 GLN 30 1HE2 GLN 30 -16.261 -7.333 21.377 218 HE22 GLN 30 2HE2 GLN 30 -17.717 -6.368 21.388 219 H VAL 31 H VAL 31 -14.807 -7.079 15.707 220 HA VAL 31 HA VAL 31 -12.176 -6.517 14.760 221 HB VAL 31 HB VAL 31 -14.598 -4.905 13.938 222 HG11 VAL 31 1HG1 VAL 31 -12.231 -6.191 12.487 223 HG12 VAL 31 2HG1 VAL 31 -13.549 -5.344 11.665 224 HG13 VAL 31 3HG1 VAL 31 -12.505 -4.449 12.760 225 HG21 VAL 31 3HG2 VAL 31 -14.183 -7.828 13.154 226 HG22 VAL 31 1HG2 VAL 31 -15.595 -7.141 14.012 227 HG23 VAL 31 2HG2 VAL 31 -15.284 -6.688 12.351 228 H ALA 32 H ALA 32 -11.449 -4.232 14.358 229 HA ALA 32 HA ALA 32 -12.138 -2.062 16.046 230 HB1 ALA 32 1HB ALA 32 -9.482 -3.471 16.618 231 HB2 ALA 32 2HB ALA 32 -10.064 -1.976 17.364 232 HB3 ALA 32 3HB ALA 32 -10.874 -3.515 17.711 233 H GLY 33 H GLY 33 -10.420 -0.309 15.633 234 HA2 GLY 33 1HA GLY 33 -9.658 -0.301 12.802 235 HA3 GLY 33 2HA GLY 33 -9.561 1.044 13.949 236 H ARG 34 H ARG 34 -7.302 1.092 12.659 237 HA ARG 34 HA ARG 34 -5.348 -0.295 14.407 238 HB2 ARG 34 1HB ARG 34 -5.595 -0.468 11.404 239 HB3 ARG 34 2HB ARG 34 -3.985 -0.357 12.082 240 HG2 ARG 34 1HG ARG 34 -5.956 -2.500 12.935 241 HG3 ARG 34 2HG ARG 34 -4.771 -2.676 11.635 242 HD2 ARG 34 1HD ARG 34 -3.012 -1.943 13.409 243 HD3 ARG 34 2HD ARG 34 -4.254 -2.325 14.597 244 HE ARG 34 HE ARG 34 -4.321 -4.629 13.512 245 HH11 ARG 34 1HH1 ARG 34 -1.245 -2.762 13.278 246 HH12 ARG 34 2HH1 ARG 34 -0.276 -4.128 13.614 247 HH21 ARG 34 1HH2 ARG 34 -2.977 -6.440 13.645 248 HH22 ARG 34 2HH2 ARG 34 -1.239 -6.271 13.610 249 H LYS 35 H LYS 35 -3.171 0.703 14.218 250 HA LYS 35 HA LYS 35 -2.964 3.423 13.251 251 HB2 LYS 35 1HB LYS 35 -3.887 3.251 15.795 252 HB3 LYS 35 2HB LYS 35 -2.205 2.906 16.135 253 HG2 LYS 35 1HG LYS 35 -2.011 5.135 16.335 254 HG3 LYS 35 2HG LYS 35 -1.898 5.143 14.576 255 HD2 LYS 35 1HD LYS 35 -4.471 5.472 16.167 256 HD3 LYS 35 2HD LYS 35 -3.518 6.815 15.520 257 HE2 LYS 35 1HE LYS 35 -3.937 6.192 13.251 258 HE3 LYS 35 2HE LYS 35 -4.528 4.587 13.721 259 HZ1 LYS 35 3HZ LYS 35 -6.322 6.074 13.152 260 HZ2 LYS 35 1HZ LYS 35 -5.930 7.085 14.395 261 HZ3 LYS 35 2HZ LYS 35 -6.418 5.545 14.712 262 H ASP 36 H ASP 36 -0.476 3.909 14.383 263 HA ASP 36 HA ASP 36 1.695 3.585 13.955 264 HB2 ASP 36 1HB ASP 36 0.761 1.131 15.398 265 HB3 ASP 36 2HB ASP 36 2.350 1.056 14.722 266 H TYR 37 H TYR 37 0.018 3.033 11.587 267 HA TYR 37 HA TYR 37 1.049 0.849 10.141 268 HB2 TYR 37 1HB TYR 37 0.529 3.167 8.416 269 HB3 TYR 37 2HB TYR 37 -0.071 1.551 8.392 270 HD1 TYR 37 2HD TYR 37 -1.628 1.056 10.638 271 HD2 TYR 37 1HD TYR 37 -1.078 4.820 8.615 272 HE1 TYR 37 2HE TYR 37 -3.988 1.671 11.109 273 HE2 TYR 37 1HE TYR 37 -3.313 5.556 9.302 274 HH TYR 37 HH TYR 37 -5.650 3.222 10.866 275 HA PRO 38 HA PRO 38 4.524 3.533 8.164 276 HB2 PRO 38 1HB PRO 38 5.188 5.955 9.262 277 HB3 PRO 38 2HB PRO 38 3.950 5.766 7.991 278 HG2 PRO 38 1HG PRO 38 3.504 6.005 10.989 279 HG3 PRO 38 2HG PRO 38 2.622 6.837 9.668 280 HD2 PRO 38 1HD PRO 38 1.609 4.623 10.827 281 HD3 PRO 38 2HD PRO 38 1.430 4.958 9.104 282 H ALA 39 H ALA 39 5.843 1.931 8.977 283 HA ALA 39 HA ALA 39 7.451 2.491 11.297 284 HB1 ALA 39 1HB ALA 39 5.689 0.004 11.280 285 HB2 ALA 39 2HB ALA 39 6.817 0.492 12.545 286 HB3 ALA 39 3HB ALA 39 5.354 1.438 12.279 287 H LEU 40 H LEU 40 8.965 0.480 11.574 288 HA LEU 40 HA LEU 40 10.106 -0.085 8.942 289 HB2 LEU 40 1HB LEU 40 10.843 -1.033 11.738 290 HB3 LEU 40 2HB LEU 40 11.750 -1.463 10.290 291 HG LEU 40 HG LEU 40 11.333 1.351 11.372 292 HD11 LEU 40 1HD1 LEU 40 12.808 -0.115 12.736 293 HD12 LEU 40 2HD1 LEU 40 13.649 1.253 12.029 294 HD13 LEU 40 3HD1 LEU 40 13.835 -0.379 11.312 295 HD21 LEU 40 3HD2 LEU 40 13.145 1.931 9.679 296 HD22 LEU 40 1HD2 LEU 40 11.589 1.542 8.978 297 HD23 LEU 40 2HD2 LEU 40 12.889 0.332 8.949 298 H LEU 41 H LEU 41 8.675 -1.305 7.776 299 HA LEU 41 HA LEU 41 7.138 -3.447 8.737 300 HB2 LEU 41 1HB LEU 41 8.323 -3.200 5.953 301 HB3 LEU 41 2HB LEU 41 7.036 -4.297 6.414 302 HG LEU 41 HG LEU 41 6.856 -1.269 6.281 303 HD11 LEU 41 1HD1 LEU 41 5.355 -3.509 4.824 304 HD12 LEU 41 2HD1 LEU 41 6.681 -2.555 4.136 305 HD13 LEU 41 3HD1 LEU 41 5.163 -1.757 4.568 306 HD21 LEU 41 3HD2 LEU 41 5.580 -1.934 8.224 307 HD22 LEU 41 1HD2 LEU 41 4.870 -3.320 7.370 308 HD23 LEU 41 2HD2 LEU 41 4.448 -1.625 6.924 309 HA PRO 42 HA PRO 42 10.076 -6.571 9.576 310 HB2 PRO 42 1HB PRO 42 8.577 -8.894 9.159 311 HB3 PRO 42 2HB PRO 42 8.443 -7.822 10.588 312 HG2 PRO 42 1HG PRO 42 6.722 -7.849 8.093 313 HG3 PRO 42 2HG PRO 42 6.194 -7.748 9.805 314 HD2 PRO 42 1HD PRO 42 6.388 -5.574 8.211 315 HD3 PRO 42 2HD PRO 42 6.843 -5.456 9.925 316 H LEU 43 H LEU 43 11.769 -7.147 8.407 317 HA LEU 43 HA LEU 43 11.435 -8.035 5.579 318 HB2 LEU 43 1HB LEU 43 13.589 -6.409 7.008 319 HB3 LEU 43 2HB LEU 43 13.942 -7.338 5.546 320 HG LEU 43 HG LEU 43 12.123 -4.965 5.861 321 HD11 LEU 43 1HD1 LEU 43 13.655 -4.106 4.055 322 HD12 LEU 43 2HD1 LEU 43 14.535 -5.627 4.090 323 HD13 LEU 43 3HD1 LEU 43 14.555 -4.572 5.518 324 HD21 LEU 43 3HD2 LEU 43 11.696 -5.201 3.385 325 HD22 LEU 43 1HD2 LEU 43 10.810 -6.311 4.426 326 HD23 LEU 43 2HD2 LEU 43 12.237 -6.883 3.523 327 H ASN 44 H ASN 44 12.588 -9.782 4.836 328 HA ASN 44 HA ASN 44 13.726 -11.592 6.925 329 HB2 ASN 44 1HB ASN 44 11.743 -12.468 5.677 330 HB3 ASN 44 2HB ASN 44 12.607 -12.220 4.167 331 HD21 ASN 44 1HD2 ASN 44 12.305 -14.690 3.937 332 HD22 ASN 44 2HD2 ASN 44 13.385 -15.725 4.864 333 H GLU 45 H GLU 45 15.982 -11.611 6.862 334 HA GLU 45 HA GLU 45 17.402 -10.414 4.665 335 HB2 GLU 45 1HB GLU 45 19.397 -11.049 5.785 336 HB3 GLU 45 2HB GLU 45 18.252 -10.418 6.958 337 HG2 GLU 45 1HG GLU 45 17.742 -12.711 7.729 338 HG3 GLU 45 2HG GLU 45 18.810 -13.393 6.480 339 H SER 46 H SER 46 16.328 -13.733 5.309 340 HA SER 46 HA SER 46 18.041 -14.982 3.371 341 HB2 SER 46 1HB SER 46 15.402 -15.931 4.539 342 HB3 SER 46 2HB SER 46 16.705 -16.938 3.893 343 HG SER 46 HG SER 46 16.488 -16.590 6.312 344 H GLU 47 H GLU 47 15.592 -12.762 2.865 345 HA GLU 47 HA GLU 47 14.749 -14.005 0.305 346 HB2 GLU 47 1HB GLU 47 13.107 -13.512 2.373 347 HB3 GLU 47 2HB GLU 47 13.090 -11.896 1.694 348 HG2 GLU 47 1HG GLU 47 11.266 -13.216 0.753 349 HG3 GLU 47 2HG GLU 47 12.464 -12.956 -0.525 350 H LEU 48 H LEU 48 16.911 -11.915 1.302 351 HA LEU 48 HA LEU 48 16.402 -9.891 -0.842 352 HB2 LEU 48 1HB LEU 48 18.423 -9.609 1.396 353 HB3 LEU 48 2HB LEU 48 17.831 -8.393 0.274 354 HG LEU 48 HG LEU 48 16.569 -9.475 2.773 355 HD11 LEU 48 1HD1 LEU 48 16.279 -7.074 3.230 356 HD12 LEU 48 2HD1 LEU 48 16.944 -6.690 1.628 357 HD13 LEU 48 3HD1 LEU 48 17.960 -7.487 2.859 358 HD21 LEU 48 3HD2 LEU 48 14.461 -8.100 2.135 359 HD22 LEU 48 1HD2 LEU 48 14.613 -9.715 1.491 360 HD23 LEU 48 2HD2 LEU 48 15.000 -8.337 0.449 361 H GLU 49 H GLU 49 18.688 -9.088 -1.705 362 HA GLU 49 HA GLU 49 20.550 -11.389 -2.016 363 HB2 GLU 49 1HB GLU 49 19.368 -9.729 -4.279 364 HB3 GLU 49 2HB GLU 49 20.705 -10.876 -4.433 365 HG2 GLU 49 1HG GLU 49 19.182 -12.703 -3.641 366 HG3 GLU 49 2HG GLU 49 17.840 -11.547 -3.660 367 H GLU 50 H GLU 50 22.499 -10.628 -1.269 368 HA GLU 50 HA GLU 50 23.161 -7.771 -1.825 369 HB2 GLU 50 1HB GLU 50 24.652 -7.757 -0.025 370 HB3 GLU 50 2HB GLU 50 23.140 -8.375 0.607 371 HG2 GLU 50 1HG GLU 50 25.522 -10.160 -0.153 372 HG3 GLU 50 2HG GLU 50 25.266 -9.481 1.438 373 H GLN 51 H GLN 51 25.380 -7.403 -2.467 374 HA GLN 51 HA GLN 51 26.874 -9.680 -3.569 375 HB2 GLN 51 1HB GLN 51 25.858 -7.416 -5.361 376 HB3 GLN 51 2HB GLN 51 27.179 -8.499 -5.772 377 HG2 GLN 51 1HG GLN 51 25.512 -10.411 -5.362 378 HG3 GLN 51 2HG GLN 51 24.247 -9.180 -5.427 379 HE21 GLN 51 1HE2 GLN 51 24.128 -7.885 -7.533 380 HE22 GLN 51 2HE2 GLN 51 24.758 -8.631 -8.996 381 H PHE 52 H PHE 52 28.945 -8.514 -4.706 382 HA PHE 52 HA PHE 52 29.968 -6.456 -2.820 383 HB2 PHE 52 1HB PHE 52 31.484 -8.909 -3.789 384 HB3 PHE 52 2HB PHE 52 32.084 -7.662 -2.704 385 HD1 PHE 52 2HD PHE 52 31.320 -7.564 -0.326 386 HD2 PHE 52 1HD PHE 52 29.984 -10.673 -3.010 387 HE1 PHE 52 2HE PHE 52 30.565 -8.939 1.619 388 HE2 PHE 52 1HE PHE 52 29.219 -12.015 -1.063 389 HZ PHE 52 HZ PHE 52 29.541 -11.179 1.224 390 H VAL 53 H VAL 53 31.888 -5.367 -3.750 391 HA VAL 53 HA VAL 53 32.267 -5.486 -6.657 392 HB VAL 53 HB VAL 53 31.370 -2.990 -5.148 393 HG11 VAL 53 1HG1 VAL 53 32.192 -3.345 -8.070 394 HG12 VAL 53 2HG1 VAL 53 31.458 -1.884 -7.378 395 HG13 VAL 53 3HG1 VAL 53 33.044 -2.380 -6.832 396 HG21 VAL 53 3HG2 VAL 53 29.485 -2.920 -6.767 397 HG22 VAL 53 1HG2 VAL 53 29.981 -4.503 -7.359 398 HG23 VAL 53 2HG2 VAL 53 29.398 -4.310 -5.685 399 H LYS 54 H LYS 54 34.295 -4.856 -7.187 400 HA LYS 54 HA LYS 54 36.190 -3.818 -5.099 401 HB2 LYS 54 1HB LYS 54 36.647 -5.831 -7.356 402 HB3 LYS 54 2HB LYS 54 37.937 -4.874 -6.644 403 HG2 LYS 54 1HG LYS 54 38.134 -6.738 -5.356 404 HG3 LYS 54 2HG LYS 54 37.094 -5.759 -4.343 405 HD2 LYS 54 1HD LYS 54 36.222 -7.929 -4.275 406 HD3 LYS 54 2HD LYS 54 35.104 -7.059 -5.343 407 HE2 LYS 54 1HE LYS 54 36.254 -8.046 -7.326 408 HE3 LYS 54 2HE LYS 54 37.437 -8.807 -6.253 409 HZ1 LYS 54 3HZ LYS 54 35.289 -9.861 -5.237 410 HZ2 LYS 54 1HZ LYS 54 36.000 -10.515 -6.565 411 HZ3 LYS 54 2HZ LYS 54 34.679 -9.592 -6.747 412 H GLY 55 H GLY 55 35.980 -4.101 -8.695 413 HA2 GLY 55 1HA GLY 55 35.639 -1.251 -9.067 414 HA3 GLY 55 2HA GLY 55 37.260 -1.863 -9.481 415 H HIS 56 H HIS 56 34.706 -0.989 -11.098 416 HA HIS 56 HA HIS 56 35.022 -2.904 -13.249 417 HB2 HIS 56 1HB HIS 56 33.352 -4.098 -11.858 418 HB3 HIS 56 2HB HIS 56 32.326 -2.669 -11.836 419 HD1 HIS 56 1HD HIS 56 33.415 -2.831 -15.315 420 HD2 HIS 56 2HD HIS 56 30.696 -4.847 -12.817 421 HE1 HIS 56 1HE HIS 56 31.794 -4.060 -16.860 422 H GLY 57 H GLY 57 33.053 -0.252 -11.836 423 HA2 GLY 57 1HA GLY 57 32.816 1.056 -14.504 424 HA3 GLY 57 2HA GLY 57 31.753 1.299 -13.106 425 HA PRO 58 HA PRO 58 35.105 4.611 -13.237 426 HB2 PRO 58 1HB PRO 58 33.485 6.837 -13.340 427 HB3 PRO 58 2HB PRO 58 33.980 5.897 -14.776 428 HG2 PRO 58 1HG PRO 58 31.411 5.649 -13.175 429 HG3 PRO 58 2HG PRO 58 31.592 5.826 -14.953 430 HD2 PRO 58 1HD PRO 58 31.255 3.396 -13.806 431 HD3 PRO 58 2HD PRO 58 32.380 3.600 -15.184 432 H GLY 59 H GLY 59 32.991 3.419 -10.989 433 HA2 GLY 59 1HA GLY 59 32.749 3.654 -8.738 434 HA3 GLY 59 2HA GLY 59 34.335 4.447 -8.761 435 H GLY 60 H GLY 60 33.775 5.983 -7.188 436 HA2 GLY 60 1HA GLY 60 31.590 7.929 -7.798 437 HA3 GLY 60 2HA GLY 60 32.375 7.650 -6.235 438 H GLN 61 H GLN 61 34.309 7.730 -9.169 439 HA GLN 61 HA GLN 61 36.093 8.987 -9.763 440 HB2 GLN 61 1HB GLN 61 34.126 11.227 -9.189 441 HB3 GLN 61 2HB GLN 61 35.665 11.441 -10.023 442 HG2 GLN 61 1HG GLN 61 33.461 9.555 -10.994 443 HG3 GLN 61 2HG GLN 61 33.706 11.203 -11.559 444 HE21 GLN 61 1HE2 GLN 61 34.975 7.837 -11.818 445 HE22 GLN 61 2HE2 GLN 61 36.159 8.320 -13.023 446 H ALA 62 H ALA 62 36.407 7.881 -7.450 447 HA ALA 62 HA ALA 62 38.315 9.578 -6.039 448 HB1 ALA 62 1HB ALA 62 37.405 8.843 -3.832 449 HB2 ALA 62 2HB ALA 62 36.293 9.933 -4.689 450 HB3 ALA 62 3HB ALA 62 35.971 8.184 -4.645 451 H THR 63 H THR 63 40.005 8.249 -6.801 452 HA THR 63 HA THR 63 39.779 5.376 -6.951 453 HB THR 63 HB THR 63 42.341 5.881 -7.496 454 HG1 THR 63 1HG THR 63 42.653 7.950 -8.211 455 HG21 THR 63 3HG2 THR 63 40.054 6.758 -9.324 456 HG22 THR 63 1HG2 THR 63 40.656 5.094 -9.129 457 HG23 THR 63 2HG2 THR 63 41.702 6.331 -9.839 458 H ASN 64 H ASN 64 39.186 5.035 -4.745 459 HA ASN 64 HA ASN 64 41.104 5.630 -2.601 460 HB2 ASN 64 1HB ASN 64 38.556 3.945 -2.694 461 HB3 ASN 64 2HB ASN 64 39.471 4.269 -1.225 462 HD21 ASN 64 1HD2 ASN 64 40.015 7.039 -1.220 463 HD22 ASN 64 2HD2 ASN 64 38.463 7.816 -1.262 464 H LYS 65 H LYS 65 41.708 3.748 -1.106 465 HA LYS 65 HA LYS 65 43.085 1.697 -2.720 466 HB2 LYS 65 1HB LYS 65 43.063 2.135 0.312 467 HB3 LYS 65 2HB LYS 65 44.138 1.070 -0.572 468 HG2 LYS 65 1HG LYS 65 44.076 4.104 -0.939 469 HG3 LYS 65 2HG LYS 65 45.112 3.274 0.210 470 HD2 LYS 65 1HD LYS 65 46.291 2.090 -1.541 471 HD3 LYS 65 2HD LYS 65 45.160 2.656 -2.768 472 HE2 LYS 65 1HE LYS 65 47.341 3.839 -2.814 473 HE3 LYS 65 2HE LYS 65 45.941 4.893 -2.661 474 HZ1 LYS 65 3HZ LYS 65 47.618 4.117 -0.334 475 HZ2 LYS 65 1HZ LYS 65 46.416 5.213 -0.352 476 HZ3 LYS 65 2HZ LYS 65 47.769 5.515 -1.186 477 H THR 66 H THR 66 40.869 1.838 0.089 478 HA THR 66 HA THR 66 40.150 -0.884 0.080 479 HB THR 66 HB THR 66 38.475 1.436 1.122 480 HG1 THR 66 1HG THR 66 40.901 0.317 2.038 481 HG21 THR 66 3HG2 THR 66 39.044 -1.297 2.346 482 HG22 THR 66 1HG2 THR 66 37.600 -0.925 1.388 483 HG23 THR 66 2HG2 THR 66 37.882 -0.073 2.908 484 H SER 67 H SER 67 38.602 1.912 -1.591 485 HA SER 67 HA SER 67 36.774 2.042 -2.935 486 HB2 SER 67 1HB SER 67 37.819 -0.628 -3.947 487 HB3 SER 67 2HB SER 67 36.831 0.546 -4.835 488 HG SER 67 HG SER 67 38.975 0.750 -5.376 489 H ASN 68 H ASN 68 36.025 1.163 -0.416 490 HA ASN 68 HA ASN 68 34.448 -1.261 -0.578 491 HB2 ASN 68 1HB ASN 68 33.560 -0.623 1.618 492 HB3 ASN 68 2HB ASN 68 35.309 -0.665 1.564 493 HD21 ASN 68 1HD2 ASN 68 32.520 1.591 1.576 494 HD22 ASN 68 2HD2 ASN 68 33.394 2.889 2.344 495 H CYS 69 H CYS 69 32.483 -1.486 -1.372 496 HA CYS 69 HA CYS 69 30.491 0.618 -1.464 497 HB2 CYS 69 1HB CYS 69 30.252 0.282 -3.996 498 HB3 CYS 69 2HB CYS 69 31.472 1.401 -3.411 499 HG CYS 69 HG CYS 69 33.514 -0.290 -3.603 500 H VAL 70 H VAL 70 28.955 -0.643 -0.464 501 HA VAL 70 HA VAL 70 28.727 -3.505 -1.232 502 HB VAL 70 HB VAL 70 27.747 -1.860 1.138 503 HG11 VAL 70 1HG1 VAL 70 25.977 -3.504 0.698 504 HG12 VAL 70 2HG1 VAL 70 27.190 -4.809 0.619 505 HG13 VAL 70 3HG1 VAL 70 26.900 -3.916 2.128 506 HG21 VAL 70 3HG2 VAL 70 30.107 -2.488 1.263 507 HG22 VAL 70 1HG2 VAL 70 29.200 -3.545 2.366 508 HG23 VAL 70 2HG2 VAL 70 29.727 -4.154 0.793 509 H VAL 71 H VAL 71 26.541 -4.354 -1.655 510 HA VAL 71 HA VAL 71 24.586 -2.406 -2.642 511 HB VAL 71 HB VAL 71 26.087 -2.809 -4.476 512 HG11 VAL 71 1HG1 VAL 71 27.246 -4.813 -3.934 513 HG12 VAL 71 2HG1 VAL 71 25.741 -5.749 -3.997 514 HG13 VAL 71 3HG1 VAL 71 26.436 -5.057 -5.484 515 HG21 VAL 71 3HG2 VAL 71 23.651 -4.529 -5.020 516 HG22 VAL 71 1HG2 VAL 71 23.619 -2.753 -4.953 517 HG23 VAL 71 2HG2 VAL 71 24.627 -3.561 -6.148 518 H LEU 72 H LEU 72 22.473 -3.212 -2.661 519 HA LEU 72 HA LEU 72 21.937 -5.977 -1.799 520 HB2 LEU 72 1HB LEU 72 22.221 -4.601 0.275 521 HB3 LEU 72 2HB LEU 72 21.025 -3.461 -0.343 522 HG LEU 72 HG LEU 72 19.295 -5.313 -0.260 523 HD11 LEU 72 1HD1 LEU 72 19.817 -7.263 1.216 524 HD12 LEU 72 2HD1 LEU 72 21.511 -6.782 1.251 525 HD13 LEU 72 3HD1 LEU 72 20.772 -7.317 -0.275 526 HD21 LEU 72 3HD2 LEU 72 20.726 -4.731 2.352 527 HD22 LEU 72 1HD2 LEU 72 19.012 -5.161 2.142 528 HD23 LEU 72 2HD2 LEU 72 19.622 -3.614 1.524 529 H LYS 73 H LYS 73 19.786 -6.616 -2.419 530 HA LYS 73 HA LYS 73 18.117 -4.665 -3.897 531 HB2 LYS 73 1HB LYS 73 19.493 -5.633 -5.575 532 HB3 LYS 73 2HB LYS 73 19.378 -7.244 -4.904 533 HG2 LYS 73 1HG LYS 73 16.849 -5.932 -5.946 534 HG3 LYS 73 2HG LYS 73 18.073 -6.518 -7.078 535 HD2 LYS 73 1HD LYS 73 18.008 -8.749 -5.982 536 HD3 LYS 73 2HD LYS 73 16.687 -8.218 -4.962 537 HE2 LYS 73 1HE LYS 73 15.754 -9.446 -6.782 538 HE3 LYS 73 2HE LYS 73 15.335 -7.731 -7.036 539 HZ1 LYS 73 3HZ LYS 73 16.230 -9.125 -8.979 540 HZ2 LYS 73 1HZ LYS 73 17.673 -8.995 -8.313 541 HZ3 LYS 73 2HZ LYS 73 16.859 -7.623 -8.801 542 H HIS 74 H HIS 74 15.939 -5.208 -3.944 543 HA HIS 74 HA HIS 74 15.033 -7.165 -1.906 544 HB2 HIS 74 1HB HIS 74 14.318 -4.517 -2.259 545 HB3 HIS 74 2HB HIS 74 13.102 -5.280 -3.243 546 HD1 HIS 74 1HD HIS 74 10.899 -5.796 -1.740 547 HD2 HIS 74 2HD HIS 74 14.607 -6.041 0.302 548 HE1 HIS 74 1HE HIS 74 10.400 -6.585 0.586 549 H VAL 75 H VAL 75 14.082 -9.070 -2.660 550 HA VAL 75 HA VAL 75 13.866 -9.480 -5.502 551 HB VAL 75 HB VAL 75 13.156 -11.199 -3.102 552 HG11 VAL 75 1HG1 VAL 75 13.021 -13.060 -4.815 553 HG12 VAL 75 2HG1 VAL 75 11.670 -11.912 -4.861 554 HG13 VAL 75 3HG1 VAL 75 12.970 -11.824 -6.076 555 HG21 VAL 75 3HG2 VAL 75 15.151 -12.461 -3.810 556 HG22 VAL 75 1HG2 VAL 75 15.432 -11.317 -5.135 557 HG23 VAL 75 2HG2 VAL 75 15.571 -10.793 -3.438 558 HA PRO 76 HA PRO 76 9.167 -9.543 -4.932 559 HB2 PRO 76 1HB PRO 76 7.885 -8.682 -2.710 560 HB3 PRO 76 2HB PRO 76 8.626 -10.299 -2.806 561 HG2 PRO 76 1HG PRO 76 9.963 -7.784 -1.771 562 HG3 PRO 76 2HG PRO 76 9.654 -9.281 -0.825 563 HD2 PRO 76 1HD PRO 76 11.991 -8.968 -2.026 564 HD3 PRO 76 2HD PRO 76 11.144 -10.528 -2.278 565 H SER 77 H SER 77 11.089 -6.815 -4.191 566 HA SER 77 HA SER 77 8.922 -5.004 -5.200 567 HB2 SER 77 1HB SER 77 11.096 -4.061 -3.339 568 HB3 SER 77 2HB SER 77 9.579 -3.260 -3.782 569 HG SER 77 HG SER 77 8.461 -4.945 -2.688 570 H GLY 78 H GLY 78 11.962 -6.342 -5.910 571 HA2 GLY 78 1HA GLY 78 13.456 -5.947 -7.550 572 HA3 GLY 78 2HA GLY 78 12.242 -4.915 -8.307 573 H ILE 79 H ILE 79 12.941 -3.643 -5.272 574 HA ILE 79 HA ILE 79 14.281 -1.308 -6.288 575 HB ILE 79 HB ILE 79 13.782 -2.305 -3.443 576 HG12 ILE 79 1HG1 ILE 79 12.221 -0.121 -4.892 577 HG13 ILE 79 2HG1 ILE 79 11.728 -1.804 -4.937 578 HG21 ILE 79 1HG2 ILE 79 14.579 0.494 -4.372 579 HG22 ILE 79 2HG2 ILE 79 14.118 0.053 -2.718 580 HG23 ILE 79 3HG2 ILE 79 15.581 -0.620 -3.409 581 HD11 ILE 79 3HD1 ILE 79 11.634 -1.849 -2.432 582 HD12 ILE 79 1HD1 ILE 79 11.904 -0.091 -2.447 583 HD13 ILE 79 2HD1 ILE 79 10.473 -0.772 -3.224 584 H VAL 80 H VAL 80 16.488 -0.765 -6.140 585 HA VAL 80 HA VAL 80 18.351 -2.726 -4.908 586 HB VAL 80 HB VAL 80 18.686 -1.288 -7.581 587 HG11 VAL 80 1HG1 VAL 80 20.827 -1.833 -6.565 588 HG12 VAL 80 2HG1 VAL 80 20.296 -3.507 -6.252 589 HG13 VAL 80 3HG1 VAL 80 20.492 -2.925 -7.925 590 HG21 VAL 80 3HG2 VAL 80 18.440 -3.627 -8.583 591 HG22 VAL 80 1HG2 VAL 80 17.773 -4.136 -7.020 592 HG23 VAL 80 2HG2 VAL 80 16.961 -2.894 -7.991 593 H VAL 81 H VAL 81 20.267 -1.741 -3.999 594 HA VAL 81 HA VAL 81 20.538 1.162 -4.180 595 HB VAL 81 HB VAL 81 18.863 0.667 -2.328 596 HG11 VAL 81 1HG1 VAL 81 21.265 -0.254 -0.703 597 HG12 VAL 81 2HG1 VAL 81 19.558 -0.198 -0.217 598 HG13 VAL 81 3HG1 VAL 81 20.103 -1.365 -1.437 599 HG21 VAL 81 3HG2 VAL 81 21.380 2.115 -1.414 600 HG22 VAL 81 1HG2 VAL 81 20.130 2.792 -2.485 601 HG23 VAL 81 2HG2 VAL 81 19.720 2.342 -0.831 602 H LYS 82 H LYS 82 22.627 1.872 -3.484 603 HA LYS 82 HA LYS 82 24.661 -0.226 -2.915 604 HB2 LYS 82 1HB LYS 82 24.801 1.967 -5.020 605 HB3 LYS 82 2HB LYS 82 26.192 1.086 -4.431 606 HG2 LYS 82 1HG LYS 82 25.396 -0.988 -5.256 607 HG3 LYS 82 2HG LYS 82 23.820 -0.330 -5.710 608 HD2 LYS 82 1HD LYS 82 24.680 0.852 -7.521 609 HD3 LYS 82 2HD LYS 82 26.348 0.807 -6.936 610 HE2 LYS 82 1HE LYS 82 24.863 -1.710 -7.727 611 HE3 LYS 82 2HE LYS 82 25.680 -0.709 -8.932 612 HZ1 LYS 82 3HZ LYS 82 27.104 -1.769 -6.565 613 HZ2 LYS 82 1HZ LYS 82 27.747 -1.091 -7.890 614 HZ3 LYS 82 2HZ LYS 82 27.029 -2.570 -8.013 615 H CYS 83 H CYS 83 25.306 0.328 -0.857 616 HA CYS 83 HA CYS 83 25.778 3.224 -0.298 617 HB2 CYS 83 1HB CYS 83 24.291 1.161 1.331 618 HB3 CYS 83 2HB CYS 83 25.209 2.436 2.158 619 HG CYS 83 HG CYS 83 24.196 4.428 1.214 620 H HIS 84 H HIS 84 27.329 3.783 1.130 621 HA HIS 84 HA HIS 84 29.267 1.895 2.178 622 HB2 HIS 84 1HB HIS 84 31.141 2.868 1.004 623 HB3 HIS 84 2HB HIS 84 30.001 2.266 -0.188 624 HD1 HIS 84 1HD HIS 84 32.149 5.177 0.287 625 HD2 HIS 84 2HD HIS 84 28.213 4.464 -1.094 626 HE1 HIS 84 1HE HIS 84 31.432 7.234 -0.980 627 H GLN 85 H GLN 85 30.507 2.937 3.811 628 HA GLN 85 HA GLN 85 30.286 5.771 4.366 629 HB2 GLN 85 1HB GLN 85 28.055 4.702 5.217 630 HB3 GLN 85 2HB GLN 85 29.078 3.907 6.417 631 HG2 GLN 85 1HG GLN 85 29.896 6.419 6.898 632 HG3 GLN 85 2HG GLN 85 28.388 6.832 6.092 633 HE21 GLN 85 1HE2 GLN 85 29.848 5.203 8.915 634 HE22 GLN 85 2HE2 GLN 85 28.363 5.071 9.841 635 H THR 86 H THR 86 31.352 2.452 5.203 636 HA THR 86 HA THR 86 33.651 3.631 6.639 637 HB THR 86 HB THR 86 33.426 1.843 8.343 638 HG1 THR 86 1HG THR 86 31.256 1.174 6.720 639 HG21 THR 86 3HG2 THR 86 31.639 2.761 9.656 640 HG22 THR 86 1HG2 THR 86 30.828 3.425 8.228 641 HG23 THR 86 2HG2 THR 86 32.382 4.103 8.764 642 H ARG 87 H ARG 87 35.516 2.222 6.678 643 HA ARG 87 HA ARG 87 35.941 0.798 4.266 644 HB2 ARG 87 1HB ARG 87 38.101 0.286 5.094 645 HB3 ARG 87 2HB ARG 87 37.717 1.898 5.664 646 HG2 ARG 87 1HG ARG 87 37.607 -0.675 7.319 647 HG3 ARG 87 2HG ARG 87 38.931 0.481 7.293 648 HD2 ARG 87 1HD ARG 87 37.522 2.229 8.264 649 HD3 ARG 87 2HD ARG 87 36.121 1.131 8.267 650 HE ARG 87 HE ARG 87 38.054 -0.261 9.635 651 HH11 ARG 87 1HH1 ARG 87 36.316 2.870 10.179 652 HH12 ARG 87 2HH1 ARG 87 36.495 2.731 11.881 653 HH21 ARG 87 1HH2 ARG 87 38.147 -0.380 11.844 654 HH22 ARG 87 2HH2 ARG 87 37.519 0.885 12.853 655 H SER 88 H SER 88 34.537 -0.304 7.262 656 HA SER 88 HA SER 88 35.064 -3.113 6.955 657 HB2 SER 88 1HB SER 88 33.241 -1.411 8.697 658 HB3 SER 88 2HB SER 88 33.453 -3.153 8.912 659 HG SER 88 HG SER 88 34.920 -2.142 10.237 660 H VAL 89 H VAL 89 34.039 -4.416 5.503 661 HA VAL 89 HA VAL 89 31.762 -3.665 3.987 662 HB VAL 89 HB VAL 89 33.442 -5.330 3.295 663 HG11 VAL 89 1HG1 VAL 89 33.403 -7.642 4.021 664 HG12 VAL 89 2HG1 VAL 89 33.794 -6.597 5.385 665 HG13 VAL 89 3HG1 VAL 89 32.163 -7.303 5.231 666 HG21 VAL 89 3HG2 VAL 89 31.920 -6.903 2.217 667 HG22 VAL 89 1HG2 VAL 89 30.613 -6.443 3.325 668 HG23 VAL 89 2HG2 VAL 89 31.280 -5.258 2.173 669 H ASP 90 H ASP 90 32.075 -5.571 6.992 670 HA ASP 90 HA ASP 90 29.426 -6.464 7.216 671 HB2 ASP 90 1HB ASP 90 31.283 -7.245 8.638 672 HB3 ASP 90 2HB ASP 90 31.370 -5.661 9.426 673 H GLN 91 H GLN 91 30.882 -3.427 8.426 674 HA GLN 91 HA GLN 91 28.546 -2.395 9.667 675 HB2 GLN 91 1HB GLN 91 31.128 -1.208 8.596 676 HB3 GLN 91 2HB GLN 91 29.936 -0.224 9.398 677 HG2 GLN 91 1HG GLN 91 31.382 -2.572 10.675 678 HG3 GLN 91 2HG GLN 91 31.777 -0.865 10.897 679 HE21 GLN 91 1HE2 GLN 91 30.662 0.294 12.568 680 HE22 GLN 91 2HE2 GLN 91 29.331 -0.417 13.443 681 H ASN 92 H ASN 92 29.961 -1.958 6.396 682 HA ASN 92 HA ASN 92 28.047 -0.036 5.494 683 HB2 ASN 92 1HB ASN 92 29.705 -2.080 3.995 684 HB3 ASN 92 2HB ASN 92 28.630 -0.928 3.180 685 HD21 ASN 92 1HD2 ASN 92 31.467 -1.055 2.725 686 HD22 ASN 92 2HD2 ASN 92 32.193 0.341 3.527 687 H ARG 93 H ARG 93 27.962 -3.638 5.448 688 HA ARG 93 HA ARG 93 25.557 -3.874 3.928 689 HB2 ARG 93 1HB ARG 93 26.863 -5.651 6.001 690 HB3 ARG 93 2HB ARG 93 25.331 -6.082 5.232 691 HG2 ARG 93 1HG ARG 93 26.406 -5.964 3.002 692 HG3 ARG 93 2HG ARG 93 27.944 -5.526 3.760 693 HD2 ARG 93 1HD ARG 93 28.088 -7.835 3.310 694 HD3 ARG 93 2HD ARG 93 27.799 -7.732 5.050 695 HE ARG 93 HE ARG 93 25.908 -8.531 2.895 696 HH11 ARG 93 1HH1 ARG 93 26.430 -8.310 6.459 697 HH12 ARG 93 2HH1 ARG 93 25.364 -9.633 6.750 698 HH21 ARG 93 1HH2 ARG 93 24.252 -10.090 3.435 699 HH22 ARG 93 2HH2 ARG 93 23.884 -10.363 5.065 700 H LYS 94 H LYS 94 25.972 -3.307 7.470 701 HA LYS 94 HA LYS 94 23.215 -3.662 8.103 702 HB2 LYS 94 1HB LYS 94 24.892 -1.461 9.391 703 HB3 LYS 94 2HB LYS 94 23.553 -2.344 10.083 704 HG2 LYS 94 1HG LYS 94 26.366 -3.291 9.546 705 HG3 LYS 94 2HG LYS 94 25.623 -2.978 11.105 706 HD2 LYS 94 1HD LYS 94 24.911 -5.252 9.197 707 HD3 LYS 94 2HD LYS 94 25.799 -5.395 10.725 708 HE2 LYS 94 1HE LYS 94 23.781 -4.510 11.928 709 HE3 LYS 94 2HE LYS 94 22.900 -4.491 10.394 710 HZ1 LYS 94 3HZ LYS 94 23.336 -6.919 10.283 711 HZ2 LYS 94 1HZ LYS 94 22.361 -6.464 11.514 712 HZ3 LYS 94 2HZ LYS 94 23.914 -6.843 11.842 713 H ILE 95 H ILE 95 25.032 -0.770 7.126 714 HA ILE 95 HA ILE 95 22.918 1.029 7.240 715 HB ILE 95 HB ILE 95 25.389 1.092 5.452 716 HG12 ILE 95 1HG1 ILE 95 24.918 2.448 8.151 717 HG13 ILE 95 2HG1 ILE 95 25.732 0.907 7.998 718 HG21 ILE 95 1HG2 ILE 95 25.048 3.555 5.352 719 HG22 ILE 95 2HG2 ILE 95 23.688 2.707 4.642 720 HG23 ILE 95 3HG2 ILE 95 23.541 3.384 6.274 721 HD11 ILE 95 3HD1 ILE 95 26.698 3.519 6.837 722 HD12 ILE 95 1HD1 ILE 95 27.388 2.632 8.200 723 HD13 ILE 95 2HD1 ILE 95 27.475 1.938 6.569 724 H ALA 96 H ALA 96 24.142 -0.929 4.488 725 HA ALA 96 HA ALA 96 22.349 -0.002 2.521 726 HB1 ALA 96 1HB ALA 96 23.576 -2.785 2.781 727 HB2 ALA 96 2HB ALA 96 22.923 -2.052 1.303 728 HB3 ALA 96 3HB ALA 96 24.376 -1.366 2.068 729 H ARG 97 H ARG 97 21.981 -2.775 4.813 730 HA ARG 97 HA ARG 97 19.395 -3.556 3.885 731 HB2 ARG 97 1HB ARG 97 21.039 -4.871 5.339 732 HB3 ARG 97 2HB ARG 97 20.502 -3.858 6.684 733 HG2 ARG 97 1HG ARG 97 18.109 -4.680 6.103 734 HG3 ARG 97 2HG ARG 97 18.873 -5.866 5.043 735 HD2 ARG 97 1HD ARG 97 19.921 -6.996 6.823 736 HD3 ARG 97 2HD ARG 97 19.880 -5.550 7.853 737 HE ARG 97 HE ARG 97 17.388 -6.994 7.167 738 HH11 ARG 97 1HH1 ARG 97 19.768 -6.236 9.670 739 HH12 ARG 97 2HH1 ARG 97 18.630 -6.041 10.967 740 HH21 ARG 97 1HH2 ARG 97 15.954 -7.259 8.975 741 HH22 ARG 97 2HH2 ARG 97 16.390 -6.722 10.580 742 H LYS 98 H LYS 98 20.376 -1.318 6.491 743 HA LYS 98 HA LYS 98 17.808 -0.661 7.456 744 HB2 LYS 98 1HB LYS 98 19.946 -0.067 8.539 745 HB3 LYS 98 2HB LYS 98 20.318 1.085 7.272 746 HG2 LYS 98 1HG LYS 98 17.933 1.303 9.141 747 HG3 LYS 98 2HG LYS 98 19.498 2.044 9.433 748 HD2 LYS 98 1HD LYS 98 19.283 3.405 7.383 749 HD3 LYS 98 2HD LYS 98 17.669 2.751 7.095 750 HE2 LYS 98 1HE LYS 98 18.420 4.335 9.554 751 HE3 LYS 98 2HE LYS 98 17.625 4.967 8.106 752 HZ1 LYS 98 3HZ LYS 98 15.914 3.144 8.555 753 HZ2 LYS 98 1HZ LYS 98 15.860 4.494 9.451 754 HZ3 LYS 98 2HZ LYS 98 16.506 3.106 10.074 755 H VAL 99 H VAL 99 19.727 1.241 5.031 756 HA VAL 99 HA VAL 99 17.597 2.950 4.458 757 HB VAL 99 HB VAL 99 20.020 3.282 3.922 758 HG11 VAL 99 1HG1 VAL 99 20.811 2.680 1.665 759 HG12 VAL 99 2HG1 VAL 99 20.590 1.289 2.721 760 HG13 VAL 99 3HG1 VAL 99 19.403 1.632 1.443 761 HG21 VAL 99 3HG2 VAL 99 18.245 4.814 3.177 762 HG22 VAL 99 1HG2 VAL 99 19.576 4.732 2.018 763 HG23 VAL 99 2HG2 VAL 99 18.051 3.875 1.681 764 H LEU 100 H LEU 100 18.200 -0.275 3.111 765 HA LEU 100 HA LEU 100 16.392 -0.132 0.920 766 HB2 LEU 100 1HB LEU 100 18.214 -1.882 1.559 767 HB3 LEU 100 2HB LEU 100 16.990 -2.611 2.576 768 HG LEU 100 HG LEU 100 16.992 -3.897 0.671 769 HD11 LEU 100 1HD1 LEU 100 14.815 -1.934 -0.073 770 HD12 LEU 100 2HD1 LEU 100 14.700 -3.184 1.211 771 HD13 LEU 100 3HD1 LEU 100 14.940 -3.651 -0.468 772 HD21 LEU 100 3HD2 LEU 100 16.972 -3.041 -1.664 773 HD22 LEU 100 1HD2 LEU 100 18.420 -2.618 -0.759 774 HD23 LEU 100 2HD2 LEU 100 17.160 -1.387 -1.038 775 H GLN 101 H GLN 101 15.948 -1.223 4.341 776 HA GLN 101 HA GLN 101 13.304 -2.048 4.176 777 HB2 GLN 101 1HB GLN 101 14.978 -2.247 6.091 778 HB3 GLN 101 2HB GLN 101 14.494 -0.622 6.578 779 HG2 GLN 101 1HG GLN 101 12.195 -1.392 6.997 780 HG3 GLN 101 2HG GLN 101 12.545 -2.938 6.269 781 HE21 GLN 101 1HE2 GLN 101 11.824 -3.953 8.264 782 HE22 GLN 101 2HE2 GLN 101 12.892 -4.069 9.628 783 H GLU 102 H GLU 102 14.415 1.306 4.663 784 HA GLU 102 HA GLU 102 11.822 2.401 5.139 785 HB2 GLU 102 1HB GLU 102 13.862 4.011 3.639 786 HB3 GLU 102 2HB GLU 102 12.791 4.492 4.943 787 HG2 GLU 102 1HG GLU 102 15.364 2.880 5.155 788 HG3 GLU 102 2HG GLU 102 15.117 4.544 5.637 789 H LYS 103 H LYS 103 13.522 1.554 2.170 790 HA LYS 103 HA LYS 103 11.662 2.958 0.393 791 HB2 LYS 103 1HB LYS 103 13.671 0.767 -0.257 792 HB3 LYS 103 2HB LYS 103 12.815 1.801 -1.411 793 HG2 LYS 103 1HG LYS 103 13.889 3.811 -0.295 794 HG3 LYS 103 2HG LYS 103 14.827 2.685 0.675 795 HD2 LYS 103 1HD LYS 103 15.678 1.685 -1.526 796 HD3 LYS 103 2HD LYS 103 14.983 3.104 -2.325 797 HE2 LYS 103 1HE LYS 103 17.096 3.052 -0.127 798 HE3 LYS 103 2HE LYS 103 17.366 3.437 -1.833 799 HZ1 LYS 103 3HZ LYS 103 15.855 5.049 0.134 800 HZ2 LYS 103 1HZ LYS 103 15.883 5.415 -1.467 801 HZ3 LYS 103 2HZ LYS 103 17.267 5.444 -0.581 802 H VAL 104 H VAL 104 11.910 -0.321 1.782 803 HA VAL 104 HA VAL 104 9.894 -1.461 0.068 804 HB VAL 104 HB VAL 104 10.899 -2.352 2.808 805 HG11 VAL 104 1HG1 VAL 104 9.994 -4.591 2.121 806 HG12 VAL 104 2HG1 VAL 104 8.710 -3.396 2.302 807 HG13 VAL 104 3HG1 VAL 104 9.286 -3.838 0.683 808 HG21 VAL 104 3HG2 VAL 104 12.328 -3.867 1.546 809 HG22 VAL 104 1HG2 VAL 104 11.628 -3.322 0.003 810 HG23 VAL 104 2HG2 VAL 104 12.625 -2.237 0.969 811 H ASP 105 H ASP 105 9.816 0.071 3.328 812 HA ASP 105 HA ASP 105 7.122 -0.292 4.034 813 HB2 ASP 105 1HB ASP 105 8.669 0.720 5.562 814 HB3 ASP 105 2HB ASP 105 9.023 2.014 4.399 815 H VAL 106 H VAL 106 8.413 2.579 2.316 816 HA VAL 106 HA VAL 106 5.813 3.479 1.626 817 HB VAL 106 HB VAL 106 7.855 4.855 1.799 818 HG11 VAL 106 1HG1 VAL 106 8.499 3.838 -0.992 819 HG12 VAL 106 2HG1 VAL 106 9.278 5.193 -0.169 820 HG13 VAL 106 3HG1 VAL 106 9.444 3.552 0.486 821 HG21 VAL 106 3HG2 VAL 106 5.765 5.710 0.817 822 HG22 VAL 106 1HG2 VAL 106 7.205 6.468 0.112 823 HG23 VAL 106 2HG2 VAL 106 6.333 5.211 -0.792 824 H PHE 107 H PHE 107 7.877 1.123 -0.017 825 HA PHE 107 HA PHE 107 6.415 1.327 -2.523 826 HB2 PHE 107 1HB PHE 107 8.709 0.266 -2.161 827 HB3 PHE 107 2HB PHE 107 7.873 -1.154 -1.549 828 HD1 PHE 107 2HD PHE 107 8.460 1.037 -4.496 829 HD2 PHE 107 1HD PHE 107 6.677 -2.645 -3.129 830 HE1 PHE 107 2HE PHE 107 8.177 0.309 -6.838 831 HE2 PHE 107 1HE PHE 107 6.425 -3.387 -5.475 832 HZ PHE 107 HZ PHE 107 7.168 -1.883 -7.348 833 H TYR 108 H TYR 108 6.001 -0.635 0.420 834 HA TYR 108 HA TYR 108 3.830 -2.260 -0.661 835 HB2 TYR 108 1HB TYR 108 5.082 -1.798 2.063 836 HB3 TYR 108 2HB TYR 108 3.510 -2.557 1.944 837 HD1 TYR 108 1HD TYR 108 6.673 -3.037 -0.112 838 HD2 TYR 108 2HD TYR 108 3.700 -4.787 2.480 839 HE1 TYR 108 1HE TYR 108 7.700 -5.264 -0.427 840 HE2 TYR 108 2HE TYR 108 4.725 -6.986 2.205 841 HH TYR 108 HH TYR 108 6.234 -8.237 0.795 842 H ASN 109 H ASN 109 4.048 0.386 1.770 843 HA ASN 109 HA ASN 109 1.228 0.689 1.898 844 HB2 ASN 109 1HB ASN 109 1.561 2.336 3.461 845 HB3 ASN 109 2HB ASN 109 2.900 1.221 3.685 846 HD21 ASN 109 1HD2 ASN 109 4.767 2.417 4.320 847 HD22 ASN 109 2HD2 ASN 109 5.107 3.988 3.723 848 H SER 110 H SER 110 3.432 2.064 -0.394 849 HA SER 110 HA SER 110 1.198 3.518 -1.676 850 HB2 SER 110 1HB SER 110 2.408 5.121 -0.260 851 HB3 SER 110 2HB SER 110 3.923 4.688 -1.053 852 HG SER 110 HG SER 110 1.656 5.955 -2.241 853 H GLY 111 H GLY 111 1.246 1.556 -2.810 854 HA2 GLY 111 1HA GLY 111 3.535 0.730 -4.380 855 HA3 GLY 111 2HA GLY 111 1.867 0.160 -4.583 856 HA PRO 112 HA PRO 112 3.028 3.233 -7.987 857 HB2 PRO 112 1HB PRO 112 3.776 1.615 -10.055 858 HB3 PRO 112 2HB PRO 112 4.899 2.064 -8.739 859 HG2 PRO 112 1HG PRO 112 3.223 -0.461 -8.971 860 HG3 PRO 112 2HG PRO 112 4.988 -0.333 -8.674 861 HD2 PRO 112 1HD PRO 112 3.194 -0.622 -6.633 862 HD3 PRO 112 2HD PRO 112 4.653 0.401 -6.454 863 H SER 113 H SER 113 0.588 1.110 -7.249 864 HA SER 113 HA SER 113 -1.102 1.964 -9.482 865 HB2 SER 113 1HB SER 113 -1.893 -0.349 -9.785 866 HB3 SER 113 2HB SER 113 -0.178 -0.194 -10.182 867 HG SER 113 HG SER 113 -1.305 -1.851 -8.529 868 H SER 114 H SER 114 -3.460 0.807 -8.789 869 HA SER 114 HA SER 114 -5.219 0.997 -7.464 870 HB2 SER 114 1HB SER 114 -3.429 0.309 -5.147 871 HB3 SER 114 2HB SER 114 -5.109 -0.167 -5.425 872 HG SER 114 HG SER 114 -3.423 -1.747 -5.739 873 H GLY 115 H GLY 115 -3.333 3.548 -7.480 874 HA2 GLY 115 1HA GLY 115 -5.009 5.177 -5.800 875 HA3 GLY 115 2HA GLY 115 -3.345 5.005 -5.192 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.385 8.303 -11.135 2 HA2 GLY 1 1HA GLY 1 -0.032 9.387 -8.940 3 HA3 GLY 1 2HA GLY 1 -0.645 10.777 -9.864 4 H SER 2 H SER 2 -2.659 10.318 -8.565 5 HA SER 2 HA SER 2 -4.190 7.928 -9.377 6 HB2 SER 2 1HB SER 2 -3.961 8.387 -7.061 7 HB3 SER 2 2HB SER 2 -4.530 10.052 -7.249 8 HG SER 2 HG SER 2 -5.887 7.884 -6.673 9 H SER 3 H SER 3 -4.180 8.835 -11.642 10 HA SER 3 HA SER 3 -5.637 11.218 -12.244 11 HB2 SER 3 1HB SER 3 -5.666 9.926 -14.577 12 HB3 SER 3 2HB SER 3 -4.220 10.697 -13.913 13 HG SER 3 HG SER 3 -4.888 7.925 -13.772 14 H GLY 4 H GLY 4 -6.856 8.221 -11.143 15 HA2 GLY 4 1HA GLY 4 -9.000 7.563 -10.745 16 HA3 GLY 4 2HA GLY 4 -9.598 9.037 -11.503 17 H SER 5 H SER 5 -8.937 8.938 -14.067 18 HA SER 5 HA SER 5 -9.701 8.227 -16.045 19 HB2 SER 5 1HB SER 5 -7.513 7.085 -15.599 20 HB3 SER 5 2HB SER 5 -8.427 5.602 -15.233 21 HG SER 5 HG SER 5 -9.385 5.913 -17.341 22 H SER 6 H SER 6 -11.637 7.419 -13.704 23 HA SER 6 HA SER 6 -13.080 5.172 -14.972 24 HB2 SER 6 1HB SER 6 -13.509 6.704 -12.365 25 HB3 SER 6 2HB SER 6 -14.379 5.245 -12.878 26 HG SER 6 HG SER 6 -11.564 5.489 -12.396 27 H GLY 7 H GLY 7 -15.629 5.533 -14.907 28 HA2 GLY 7 1HA GLY 7 -16.370 8.278 -15.732 29 HA3 GLY 7 2HA GLY 7 -16.657 6.913 -16.833 30 H LYS 8 H LYS 8 -18.667 8.594 -15.620 31 HA LYS 8 HA LYS 8 -19.977 6.872 -13.573 32 HB2 LYS 8 1HB LYS 8 -20.586 9.663 -14.632 33 HB3 LYS 8 2HB LYS 8 -21.732 8.729 -13.657 34 HG2 LYS 8 1HG LYS 8 -20.005 8.455 -11.884 35 HG3 LYS 8 2HG LYS 8 -18.918 9.513 -12.815 36 HD2 LYS 8 1HD LYS 8 -20.505 11.376 -12.602 37 HD3 LYS 8 2HD LYS 8 -21.711 10.314 -11.868 38 HE2 LYS 8 1HE LYS 8 -20.585 11.681 -10.169 39 HE3 LYS 8 2HE LYS 8 -20.321 9.950 -9.903 40 HZ1 LYS 8 3HZ LYS 8 -18.306 11.271 -9.650 41 HZ2 LYS 8 1HZ LYS 8 -18.389 11.781 -11.198 42 HZ3 LYS 8 2HZ LYS 8 -18.124 10.180 -10.847 43 H TRP 9 H TRP 9 -21.466 5.448 -14.096 44 HA TRP 9 HA TRP 9 -23.241 5.756 -16.385 45 HB2 TRP 9 1HB TRP 9 -22.623 3.430 -17.174 46 HB3 TRP 9 2HB TRP 9 -21.483 4.710 -17.511 47 HD1 TRP 9 HD TRP 9 -19.081 4.591 -16.434 48 HE1 TRP 9 1HE TRP 9 -17.765 2.791 -15.234 49 HE3 TRP 9 3HE TRP 9 -22.922 1.373 -15.537 50 HZ2 TRP 9 2HZ TRP 9 -18.357 0.230 -13.920 51 HZ3 TRP 9 3HZ TRP 9 -22.532 -0.770 -14.312 52 HH2 TRP 9 HH TRP 9 -20.258 -1.341 -13.509 53 H GLY 10 H GLY 10 -24.567 3.391 -16.264 54 HA2 GLY 10 1HA GLY 10 -25.069 2.560 -13.539 55 HA3 GLY 10 2HA GLY 10 -26.365 3.533 -14.276 56 H LEU 11 H LEU 11 -27.340 1.199 -13.814 57 HA LEU 11 HA LEU 11 -27.019 -0.497 -16.248 58 HB2 LEU 11 1HB LEU 11 -27.803 -1.354 -13.421 59 HB3 LEU 11 2HB LEU 11 -27.835 -2.360 -14.858 60 HG LEU 11 HG LEU 11 -25.272 -1.763 -15.065 61 HD11 LEU 11 1HD1 LEU 11 -25.788 -1.324 -12.080 62 HD12 LEU 11 2HD1 LEU 11 -25.063 -0.158 -13.209 63 HD13 LEU 11 3HD1 LEU 11 -24.196 -1.631 -12.789 64 HD21 LEU 11 3HD2 LEU 11 -24.747 -3.762 -13.710 65 HD22 LEU 11 1HD2 LEU 11 -26.180 -4.020 -14.710 66 HD23 LEU 11 2HD2 LEU 11 -26.361 -3.692 -12.971 67 H ARG 12 H ARG 12 -29.197 -1.787 -16.598 68 HA ARG 12 HA ARG 12 -31.549 -0.088 -15.948 69 HB2 ARG 12 1HB ARG 12 -30.692 0.562 -18.208 70 HB3 ARG 12 2HB ARG 12 -30.887 -1.118 -18.726 71 HG2 ARG 12 1HG ARG 12 -33.392 -0.670 -17.696 72 HG3 ARG 12 2HG ARG 12 -32.970 0.983 -18.132 73 HD2 ARG 12 1HD ARG 12 -32.890 -1.451 -19.954 74 HD3 ARG 12 2HD ARG 12 -34.185 -0.238 -19.923 75 HE ARG 12 HE ARG 12 -31.856 1.200 -20.352 76 HH11 ARG 12 1HH1 ARG 12 -33.539 -1.395 -22.058 77 HH12 ARG 12 2HH1 ARG 12 -33.003 -0.956 -23.637 78 HH21 ARG 12 1HH2 ARG 12 -31.098 1.831 -22.462 79 HH22 ARG 12 2HH2 ARG 12 -31.564 0.948 -23.861 80 H LEU 13 H LEU 13 -32.563 -1.539 -14.600 81 HA LEU 13 HA LEU 13 -33.700 -3.902 -15.726 82 HB2 LEU 13 1HB LEU 13 -31.212 -4.356 -14.577 83 HB3 LEU 13 2HB LEU 13 -32.221 -4.453 -13.157 84 HG LEU 13 HG LEU 13 -31.805 -6.640 -14.040 85 HD11 LEU 13 1HD1 LEU 13 -34.119 -6.239 -13.134 86 HD12 LEU 13 2HD1 LEU 13 -33.965 -7.603 -14.241 87 HD13 LEU 13 3HD1 LEU 13 -34.689 -6.102 -14.826 88 HD21 LEU 13 3HD2 LEU 13 -31.316 -6.013 -16.380 89 HD22 LEU 13 1HD2 LEU 13 -33.046 -5.790 -16.691 90 HD23 LEU 13 2HD2 LEU 13 -32.417 -7.395 -16.266 91 H GLN 14 H GLN 14 -35.516 -4.526 -14.327 92 HA GLN 14 HA GLN 14 -36.051 -3.262 -11.830 93 HB2 GLN 14 1HB GLN 14 -38.219 -2.240 -12.707 94 HB3 GLN 14 2HB GLN 14 -36.755 -1.325 -12.998 95 HG2 GLN 14 1HG GLN 14 -37.945 -3.154 -15.132 96 HG3 GLN 14 2HG GLN 14 -38.508 -1.508 -14.892 97 HE21 GLN 14 1HE2 GLN 14 -36.528 0.167 -14.713 98 HE22 GLN 14 2HE2 GLN 14 -35.370 -0.018 -16.017 99 H GLU 15 H GLU 15 -37.946 -4.346 -10.876 100 HA GLU 15 HA GLU 15 -38.419 -6.848 -12.273 101 HB2 GLU 15 1HB GLU 15 -38.367 -6.131 -9.418 102 HB3 GLU 15 2HB GLU 15 -39.760 -7.119 -9.848 103 HG2 GLU 15 1HG GLU 15 -36.827 -7.795 -10.180 104 HG3 GLU 15 2HG GLU 15 -38.056 -8.683 -9.275 105 H LYS 16 H LYS 16 -40.678 -7.849 -11.877 106 HA LYS 16 HA LYS 16 -42.590 -5.895 -13.106 107 HB2 LYS 16 1HB LYS 16 -42.119 -8.888 -13.537 108 HB3 LYS 16 2HB LYS 16 -43.607 -8.121 -14.013 109 HG2 LYS 16 1HG LYS 16 -42.181 -8.352 -15.932 110 HG3 LYS 16 2HG LYS 16 -42.496 -6.652 -15.585 111 HD2 LYS 16 1HD LYS 16 -40.176 -7.071 -16.317 112 HD3 LYS 16 2HD LYS 16 -40.282 -6.337 -14.718 113 HE2 LYS 16 1HE LYS 16 -40.035 -8.667 -13.725 114 HE3 LYS 16 2HE LYS 16 -39.762 -9.308 -15.336 115 HZ1 LYS 16 3HZ LYS 16 -37.820 -8.719 -13.810 116 HZ2 LYS 16 1HZ LYS 16 -38.034 -7.170 -14.227 117 HZ3 LYS 16 2HZ LYS 16 -37.672 -8.293 -15.391 118 HA PRO 17 HA PRO 17 -45.344 -6.828 -9.744 119 HB2 PRO 17 1HB PRO 17 -47.819 -6.555 -10.914 120 HB3 PRO 17 2HB PRO 17 -46.735 -5.167 -10.603 121 HG2 PRO 17 1HG PRO 17 -47.094 -6.693 -13.203 122 HG3 PRO 17 2HG PRO 17 -47.079 -4.921 -12.951 123 HD2 PRO 17 1HD PRO 17 -44.834 -6.256 -13.779 124 HD3 PRO 17 2HD PRO 17 -44.742 -4.892 -12.638 125 H ALA 18 H ALA 18 -44.850 -9.023 -9.316 126 HA ALA 18 HA ALA 18 -46.598 -11.058 -10.527 127 HB1 ALA 18 1HB ALA 18 -43.555 -11.281 -10.328 128 HB2 ALA 18 2HB ALA 18 -44.659 -12.546 -10.914 129 HB3 ALA 18 3HB ALA 18 -44.467 -11.046 -11.835 130 H LEU 19 H LEU 19 -45.725 -13.236 -9.266 131 HA LEU 19 HA LEU 19 -46.650 -12.923 -6.571 132 HB2 LEU 19 1HB LEU 19 -46.797 -14.942 -8.219 133 HB3 LEU 19 2HB LEU 19 -45.173 -15.348 -7.671 134 HG LEU 19 HG LEU 19 -47.681 -15.084 -5.944 135 HD11 LEU 19 1HD1 LEU 19 -47.697 -17.042 -7.450 136 HD12 LEU 19 2HD1 LEU 19 -47.546 -17.534 -5.757 137 HD13 LEU 19 3HD1 LEU 19 -46.116 -17.550 -6.814 138 HD21 LEU 19 3HD2 LEU 19 -44.862 -15.930 -5.156 139 HD22 LEU 19 1HD2 LEU 19 -46.307 -16.227 -4.163 140 HD23 LEU 19 2HD2 LEU 19 -45.806 -14.577 -4.505 141 H LEU 20 H LEU 20 -45.414 -11.869 -5.121 142 HA LEU 20 HA LEU 20 -42.616 -11.472 -5.363 143 HB2 LEU 20 1HB LEU 20 -42.762 -10.441 -3.119 144 HB3 LEU 20 2HB LEU 20 -43.933 -9.852 -4.280 145 HG LEU 20 HG LEU 20 -45.653 -11.427 -3.149 146 HD11 LEU 20 1HD1 LEU 20 -44.200 -12.819 -1.734 147 HD12 LEU 20 2HD1 LEU 20 -45.238 -11.835 -0.718 148 HD13 LEU 20 3HD1 LEU 20 -43.537 -11.377 -0.945 149 HD21 LEU 20 3HD2 LEU 20 -44.488 -9.076 -1.609 150 HD22 LEU 20 1HD2 LEU 20 -46.127 -9.738 -1.429 151 HD23 LEU 20 2HD2 LEU 20 -45.651 -8.976 -2.951 152 H PHE 21 H PHE 21 -40.915 -12.086 -3.900 153 HA PHE 21 HA PHE 21 -40.863 -14.934 -3.518 154 HB2 PHE 21 1HB PHE 21 -38.937 -12.691 -2.802 155 HB3 PHE 21 2HB PHE 21 -38.591 -14.367 -2.456 156 HD1 PHE 21 2HD PHE 21 -39.117 -11.937 -5.250 157 HD2 PHE 21 1HD PHE 21 -37.875 -15.923 -4.145 158 HE1 PHE 21 2HE PHE 21 -38.227 -12.300 -7.532 159 HE2 PHE 21 1HE PHE 21 -36.971 -16.265 -6.426 160 HZ PHE 21 HZ PHE 21 -37.154 -14.459 -8.127 161 HA PRO 22 HA PRO 22 -42.293 -14.992 0.683 162 HB2 PRO 22 1HB PRO 22 -41.215 -17.299 1.677 163 HB3 PRO 22 2HB PRO 22 -42.430 -17.286 0.369 164 HG2 PRO 22 1HG PRO 22 -39.410 -17.460 0.099 165 HG3 PRO 22 2HG PRO 22 -40.649 -18.516 -0.659 166 HD2 PRO 22 1HD PRO 22 -39.538 -16.400 -1.979 167 HD3 PRO 22 2HD PRO 22 -41.253 -16.826 -2.219 168 H GLY 23 H GLY 23 -39.184 -13.984 0.018 169 HA2 GLY 23 1HA GLY 23 -38.706 -12.735 2.437 170 HA3 GLY 23 2HA GLY 23 -37.758 -14.246 2.431 171 H MET 24 H MET 24 -36.115 -12.194 2.413 172 HA MET 24 HA MET 24 -35.082 -11.990 -0.334 173 HB2 MET 24 1HB MET 24 -35.534 -9.609 1.534 174 HB3 MET 24 2HB MET 24 -34.596 -9.571 0.039 175 HG2 MET 24 1HG MET 24 -36.646 -10.193 -1.245 176 HG3 MET 24 2HG MET 24 -37.568 -10.138 0.258 177 HE1 MET 24 3HE MET 24 -34.758 -7.692 -1.307 178 HE2 MET 24 1HE MET 24 -35.887 -8.141 -2.609 179 HE3 MET 24 2HE MET 24 -35.849 -6.475 -1.995 180 H ALA 25 H ALA 25 -32.709 -10.925 -0.101 181 HA ALA 25 HA ALA 25 -31.365 -11.378 2.383 182 HB1 ALA 25 1HB ALA 25 -30.757 -12.916 -0.208 183 HB2 ALA 25 2HB ALA 25 -29.691 -12.829 1.211 184 HB3 ALA 25 3HB ALA 25 -31.263 -13.647 1.337 185 H ALA 26 H ALA 26 -29.472 -9.914 2.198 186 HA ALA 26 HA ALA 26 -29.223 -8.578 -0.387 187 HB1 ALA 26 1HB ALA 26 -30.893 -7.240 0.882 188 HB2 ALA 26 2HB ALA 26 -29.748 -7.094 2.238 189 HB3 ALA 26 3HB ALA 26 -29.385 -6.333 0.677 190 H SER 27 H SER 27 -27.317 -6.896 -0.085 191 HA SER 27 HA SER 27 -25.021 -8.390 0.933 192 HB2 SER 27 1HB SER 27 -25.008 -7.158 -1.239 193 HB3 SER 27 2HB SER 27 -25.228 -5.627 -0.364 194 HG SER 27 HG SER 27 -22.997 -6.405 -1.003 195 H THR 28 H THR 28 -23.354 -6.738 2.061 196 HA THR 28 HA THR 28 -24.635 -5.092 4.137 197 HB THR 28 HB THR 28 -22.734 -7.369 4.850 198 HG1 THR 28 1HG THR 28 -25.406 -7.348 4.450 199 HG21 THR 28 3HG2 THR 28 -22.620 -5.508 6.466 200 HG22 THR 28 1HG2 THR 28 -23.498 -6.861 7.183 201 HG23 THR 28 2HG2 THR 28 -24.399 -5.463 6.572 202 H VAL 29 H VAL 29 -23.124 -3.561 5.016 203 HA VAL 29 HA VAL 29 -21.175 -2.644 3.137 204 HB VAL 29 HB VAL 29 -20.741 -0.927 4.883 205 HG11 VAL 29 1HG1 VAL 29 -23.717 -1.398 4.421 206 HG12 VAL 29 2HG1 VAL 29 -22.922 0.142 4.806 207 HG13 VAL 29 3HG1 VAL 29 -22.592 -0.657 3.261 208 HG21 VAL 29 3HG2 VAL 29 -21.079 -2.308 6.932 209 HG22 VAL 29 1HG2 VAL 29 -22.041 -0.828 6.941 210 HG23 VAL 29 2HG2 VAL 29 -22.819 -2.379 6.591 211 H GLN 30 H GLN 30 -18.887 -2.041 3.948 212 HA GLN 30 HA GLN 30 -17.703 -4.284 5.501 213 HB2 GLN 30 1HB GLN 30 -16.693 -2.977 2.941 214 HB3 GLN 30 2HB GLN 30 -15.726 -4.049 3.970 215 HG2 GLN 30 1HG GLN 30 -17.410 -5.853 3.684 216 HG3 GLN 30 2HG GLN 30 -18.343 -4.817 2.598 217 HE21 GLN 30 1HE2 GLN 30 -17.262 -4.108 0.499 218 HE22 GLN 30 2HE2 GLN 30 -16.072 -5.169 -0.176 219 H VAL 31 H VAL 31 -15.515 -3.678 6.319 220 HA VAL 31 HA VAL 31 -15.512 -0.902 7.350 221 HB VAL 31 HB VAL 31 -14.440 -1.881 9.333 222 HG11 VAL 31 1HG1 VAL 31 -17.128 -3.174 8.660 223 HG12 VAL 31 2HG1 VAL 31 -16.454 -2.975 10.272 224 HG13 VAL 31 3HG1 VAL 31 -16.885 -1.546 9.326 225 HG21 VAL 31 3HG2 VAL 31 -13.460 -3.922 8.267 226 HG22 VAL 31 1HG2 VAL 31 -14.315 -4.224 9.775 227 HG23 VAL 31 2HG2 VAL 31 -15.099 -4.618 8.229 228 H ALA 32 H ALA 32 -12.894 -0.943 8.383 229 HA ALA 32 HA ALA 32 -11.332 -1.133 5.837 230 HB1 ALA 32 1HB ALA 32 -9.922 0.662 6.731 231 HB2 ALA 32 2HB ALA 32 -11.615 1.184 6.578 232 HB3 ALA 32 3HB ALA 32 -10.953 0.768 8.165 233 H GLY 33 H GLY 33 -11.595 -2.264 9.164 234 HA2 GLY 33 1HA GLY 33 -10.372 -3.844 10.250 235 HA3 GLY 33 2HA GLY 33 -9.529 -4.176 8.733 236 H ARG 34 H ARG 34 -7.485 -3.539 8.560 237 HA ARG 34 HA ARG 34 -5.840 -2.557 10.584 238 HB2 ARG 34 1HB ARG 34 -5.697 -2.554 7.537 239 HB3 ARG 34 2HB ARG 34 -4.375 -1.889 8.466 240 HG2 ARG 34 1HG ARG 34 -5.247 -4.654 9.260 241 HG3 ARG 34 2HG ARG 34 -4.517 -4.468 7.655 242 HD2 ARG 34 1HD ARG 34 -2.694 -4.923 9.084 243 HD3 ARG 34 2HD ARG 34 -2.642 -3.200 8.739 244 HE ARG 34 HE ARG 34 -4.033 -4.065 11.211 245 HH11 ARG 34 1HH1 ARG 34 -0.935 -2.951 9.832 246 HH12 ARG 34 2HH1 ARG 34 -0.317 -2.500 11.390 247 HH21 ARG 34 1HH2 ARG 34 -3.265 -3.246 13.198 248 HH22 ARG 34 2HH2 ARG 34 -1.749 -2.463 13.304 249 H LYS 35 H LYS 35 -4.815 -0.589 10.951 250 HA LYS 35 HA LYS 35 -5.470 1.902 9.591 251 HB2 LYS 35 1HB LYS 35 -6.479 1.299 12.406 252 HB3 LYS 35 2HB LYS 35 -5.996 2.920 11.936 253 HG2 LYS 35 1HG LYS 35 -7.637 2.803 10.000 254 HG3 LYS 35 2HG LYS 35 -8.199 1.279 10.697 255 HD2 LYS 35 1HD LYS 35 -9.712 2.730 11.569 256 HD3 LYS 35 2HD LYS 35 -8.569 2.646 12.898 257 HE2 LYS 35 1HE LYS 35 -8.680 4.851 10.773 258 HE3 LYS 35 2HE LYS 35 -9.460 4.943 12.355 259 HZ1 LYS 35 3HZ LYS 35 -6.575 4.874 11.796 260 HZ2 LYS 35 1HZ LYS 35 -7.219 4.711 13.337 261 HZ3 LYS 35 2HZ LYS 35 -7.414 6.086 12.468 262 H ASP 36 H ASP 36 -3.124 1.082 9.264 263 HA ASP 36 HA ASP 36 -1.388 2.544 10.998 264 HB2 ASP 36 1HB ASP 36 -1.920 0.152 12.173 265 HB3 ASP 36 2HB ASP 36 -0.660 -0.369 11.078 266 H TYR 37 H TYR 37 -2.112 2.006 8.132 267 HA TYR 37 HA TYR 37 -0.239 0.589 6.729 268 HB2 TYR 37 1HB TYR 37 -1.207 2.888 5.191 269 HB3 TYR 37 2HB TYR 37 -1.328 1.198 4.936 270 HD1 TYR 37 2HD TYR 37 -2.977 -0.114 6.579 271 HD2 TYR 37 1HD TYR 37 -3.220 4.092 5.647 272 HE1 TYR 37 2HE TYR 37 -5.398 -0.168 6.973 273 HE2 TYR 37 1HE TYR 37 -5.652 4.062 6.089 274 HH TYR 37 HH TYR 37 -7.477 2.727 6.911 275 HA PRO 38 HA PRO 38 2.696 4.205 5.881 276 HB2 PRO 38 1HB PRO 38 2.382 6.668 6.974 277 HB3 PRO 38 2HB PRO 38 1.528 6.166 5.484 278 HG2 PRO 38 1HG PRO 38 0.451 6.187 8.326 279 HG3 PRO 38 2HG PRO 38 -0.319 6.813 6.831 280 HD2 PRO 38 1HD PRO 38 -0.905 4.310 7.816 281 HD3 PRO 38 2HD PRO 38 -0.851 4.706 6.083 282 H ALA 39 H ALA 39 4.080 2.957 7.139 283 HA ALA 39 HA ALA 39 5.068 3.983 9.648 284 HB1 ALA 39 1HB ALA 39 3.845 1.178 9.520 285 HB2 ALA 39 2HB ALA 39 4.674 1.896 10.921 286 HB3 ALA 39 3HB ALA 39 3.116 2.538 10.395 287 H LEU 40 H LEU 40 6.644 1.811 10.306 288 HA LEU 40 HA LEU 40 8.477 1.500 8.004 289 HB2 LEU 40 1HB LEU 40 8.731 0.884 10.995 290 HB3 LEU 40 2HB LEU 40 9.941 0.481 9.781 291 HG LEU 40 HG LEU 40 9.084 3.294 10.585 292 HD11 LEU 40 1HD1 LEU 40 10.472 2.054 12.226 293 HD12 LEU 40 2HD1 LEU 40 11.375 3.404 11.498 294 HD13 LEU 40 3HD1 LEU 40 11.672 1.742 10.961 295 HD21 LEU 40 3HD2 LEU 40 11.078 3.985 9.166 296 HD22 LEU 40 1HD2 LEU 40 9.699 3.366 8.252 297 HD23 LEU 40 2HD2 LEU 40 11.109 2.336 8.508 298 H LEU 41 H LEU 41 7.948 -0.255 6.822 299 HA LEU 41 HA LEU 41 6.324 -2.416 7.968 300 HB2 LEU 41 1HB LEU 41 7.355 -1.665 5.216 301 HB3 LEU 41 2HB LEU 41 6.679 -3.251 5.498 302 HG LEU 41 HG LEU 41 5.141 -1.654 4.556 303 HD11 LEU 41 1HD1 LEU 41 3.180 -2.269 5.897 304 HD12 LEU 41 2HD1 LEU 41 4.192 -2.518 7.325 305 HD13 LEU 41 3HD1 LEU 41 4.334 -3.607 5.935 306 HD21 LEU 41 3HD2 LEU 41 4.987 -0.150 7.158 307 HD22 LEU 41 1HD2 LEU 41 4.049 0.140 5.686 308 HD23 LEU 41 2HD2 LEU 41 5.798 0.418 5.682 309 HA PRO 42 HA PRO 42 9.773 -5.020 8.767 310 HB2 PRO 42 1HB PRO 42 8.749 -7.514 8.501 311 HB3 PRO 42 2HB PRO 42 8.207 -6.382 9.791 312 HG2 PRO 42 1HG PRO 42 6.900 -6.929 7.110 313 HG3 PRO 42 2HG PRO 42 6.127 -6.936 8.734 314 HD2 PRO 42 1HD PRO 42 6.055 -4.769 7.092 315 HD3 PRO 42 2HD PRO 42 6.225 -4.567 8.855 316 H LEU 43 H LEU 43 11.203 -6.725 7.942 317 HA LEU 43 HA LEU 43 11.311 -7.289 5.033 318 HB2 LEU 43 1HB LEU 43 13.160 -6.457 4.507 319 HB3 LEU 43 2HB LEU 43 12.207 -5.181 5.225 320 HG LEU 43 HG LEU 43 13.595 -5.167 7.220 321 HD11 LEU 43 1HD1 LEU 43 14.499 -7.658 5.885 322 HD12 LEU 43 2HD1 LEU 43 13.965 -7.404 7.556 323 HD13 LEU 43 3HD1 LEU 43 15.601 -6.860 7.095 324 HD21 LEU 43 3HD2 LEU 43 15.326 -5.489 4.721 325 HD22 LEU 43 1HD2 LEU 43 15.675 -4.462 6.160 326 HD23 LEU 43 2HD2 LEU 43 14.350 -4.063 5.057 327 H ASN 44 H ASN 44 12.868 -8.872 4.402 328 HA ASN 44 HA ASN 44 13.090 -10.990 6.506 329 HB2 ASN 44 1HB ASN 44 11.416 -11.563 4.734 330 HB3 ASN 44 2HB ASN 44 12.679 -11.376 3.519 331 HD21 ASN 44 1HD2 ASN 44 12.085 -13.659 3.096 332 HD22 ASN 44 2HD2 ASN 44 12.698 -14.937 4.088 333 H GLU 45 H GLU 45 15.242 -10.699 7.093 334 HA GLU 45 HA GLU 45 17.232 -9.913 5.189 335 HB2 GLU 45 1HB GLU 45 18.820 -10.197 6.988 336 HB3 GLU 45 2HB GLU 45 17.380 -9.310 7.495 337 HG2 GLU 45 1HG GLU 45 16.517 -11.362 8.614 338 HG3 GLU 45 2HG GLU 45 18.012 -12.204 8.187 339 H SER 46 H SER 46 15.816 -12.956 5.621 340 HA SER 46 HA SER 46 18.143 -14.508 4.776 341 HB2 SER 46 1HB SER 46 15.993 -14.958 6.360 342 HB3 SER 46 2HB SER 46 15.334 -15.575 4.844 343 HG SER 46 HG SER 46 17.439 -16.838 4.817 344 H GLU 47 H GLU 47 16.020 -12.514 3.062 345 HA GLU 47 HA GLU 47 16.186 -14.197 0.603 346 HB2 GLU 47 1HB GLU 47 13.962 -14.202 1.679 347 HB3 GLU 47 2HB GLU 47 13.892 -12.445 1.504 348 HG2 GLU 47 1HG GLU 47 12.542 -13.400 -0.175 349 HG3 GLU 47 2HG GLU 47 13.953 -12.784 -0.971 350 H LEU 48 H LEU 48 18.067 -12.301 1.622 351 HA LEU 48 HA LEU 48 17.880 -10.075 -0.366 352 HB2 LEU 48 1HB LEU 48 19.588 -10.090 2.135 353 HB3 LEU 48 2HB LEU 48 19.269 -8.745 1.050 354 HG LEU 48 HG LEU 48 17.342 -10.056 2.977 355 HD11 LEU 48 1HD1 LEU 48 17.348 -7.850 4.073 356 HD12 LEU 48 2HD1 LEU 48 18.528 -7.257 2.877 357 HD13 LEU 48 3HD1 LEU 48 18.980 -8.553 4.010 358 HD21 LEU 48 3HD2 LEU 48 15.682 -8.371 2.402 359 HD22 LEU 48 1HD2 LEU 48 16.047 -9.340 0.998 360 HD23 LEU 48 2HD2 LEU 48 16.752 -7.713 1.113 361 H GLU 49 H GLU 49 19.131 -10.468 -2.058 362 HA GLU 49 HA GLU 49 21.545 -12.217 -1.850 363 HB2 GLU 49 1HB GLU 49 20.074 -11.051 -4.246 364 HB3 GLU 49 2HB GLU 49 21.423 -12.180 -4.331 365 HG2 GLU 49 1HG GLU 49 20.022 -13.980 -3.480 366 HG3 GLU 49 2HG GLU 49 18.691 -12.853 -3.153 367 H GLU 50 H GLU 50 23.288 -10.772 -1.215 368 HA GLU 50 HA GLU 50 23.170 -7.999 -2.234 369 HB2 GLU 50 1HB GLU 50 24.794 -7.422 -0.759 370 HB3 GLU 50 2HB GLU 50 23.947 -8.674 0.137 371 HG2 GLU 50 1HG GLU 50 25.754 -10.283 -0.387 372 HG3 GLU 50 2HG GLU 50 26.573 -9.088 -1.402 373 H GLN 51 H GLN 51 25.135 -7.076 -3.283 374 HA GLN 51 HA GLN 51 26.439 -9.029 -5.142 375 HB2 GLN 51 1HB GLN 51 25.540 -6.184 -5.612 376 HB3 GLN 51 2HB GLN 51 26.467 -7.129 -6.766 377 HG2 GLN 51 1HG GLN 51 24.639 -8.531 -7.277 378 HG3 GLN 51 2HG GLN 51 23.780 -8.141 -5.786 379 HE21 GLN 51 1HE2 GLN 51 21.842 -7.513 -6.854 380 HE22 GLN 51 2HE2 GLN 51 21.753 -6.037 -7.799 381 H PHE 52 H PHE 52 28.590 -8.989 -5.051 382 HA PHE 52 HA PHE 52 29.886 -7.111 -3.178 383 HB2 PHE 52 1HB PHE 52 30.916 -9.545 -4.666 384 HB3 PHE 52 2HB PHE 52 31.891 -8.523 -3.638 385 HD1 PHE 52 2HD PHE 52 30.827 -8.132 -1.125 386 HD2 PHE 52 1HD PHE 52 30.032 -11.499 -3.700 387 HE1 PHE 52 2HE PHE 52 30.285 -9.503 0.839 388 HE2 PHE 52 1HE PHE 52 29.502 -12.874 -1.714 389 HZ PHE 52 HZ PHE 52 29.654 -11.914 0.545 390 H VAL 53 H VAL 53 31.418 -5.580 -3.807 391 HA VAL 53 HA VAL 53 31.965 -5.269 -6.692 392 HB VAL 53 HB VAL 53 31.518 -2.882 -4.886 393 HG11 VAL 53 1HG1 VAL 53 31.135 -3.297 -7.876 394 HG12 VAL 53 2HG1 VAL 53 31.111 -1.754 -6.995 395 HG13 VAL 53 3HG1 VAL 53 32.616 -2.682 -7.123 396 HG21 VAL 53 3HG2 VAL 53 29.300 -4.371 -6.321 397 HG22 VAL 53 1HG2 VAL 53 29.384 -3.927 -4.607 398 HG23 VAL 53 2HG2 VAL 53 29.208 -2.670 -5.846 399 H LYS 54 H LYS 54 34.105 -5.636 -6.796 400 HA LYS 54 HA LYS 54 35.865 -4.766 -4.513 401 HB2 LYS 54 1HB LYS 54 36.219 -7.059 -6.478 402 HB3 LYS 54 2HB LYS 54 37.430 -6.530 -5.300 403 HG2 LYS 54 1HG LYS 54 35.841 -6.956 -3.449 404 HG3 LYS 54 2HG LYS 54 34.644 -7.580 -4.592 405 HD2 LYS 54 1HD LYS 54 37.441 -8.741 -4.252 406 HD3 LYS 54 2HD LYS 54 36.024 -9.319 -3.367 407 HE2 LYS 54 1HE LYS 54 34.890 -9.957 -5.426 408 HE3 LYS 54 2HE LYS 54 36.182 -9.249 -6.414 409 HZ1 LYS 54 3HZ LYS 54 36.475 -11.616 -6.252 410 HZ2 LYS 54 1HZ LYS 54 36.498 -11.587 -4.610 411 HZ3 LYS 54 2HZ LYS 54 37.694 -10.899 -5.464 412 H GLY 55 H GLY 55 35.062 -3.980 -7.720 413 HA2 GLY 55 1HA GLY 55 37.002 -1.943 -7.938 414 HA3 GLY 55 2HA GLY 55 37.532 -3.352 -8.889 415 H HIS 56 H HIS 56 37.163 -2.198 -10.867 416 HA HIS 56 HA HIS 56 36.055 -1.404 -12.642 417 HB2 HIS 56 1HB HIS 56 35.431 -3.846 -12.578 418 HB3 HIS 56 2HB HIS 56 33.886 -3.376 -11.873 419 HD1 HIS 56 1HD HIS 56 35.941 -2.601 -15.114 420 HD2 HIS 56 2HD HIS 56 31.999 -2.813 -13.610 421 HE1 HIS 56 1HE HIS 56 34.416 -2.190 -17.067 422 H GLY 57 H GLY 57 35.912 0.423 -10.761 423 HA2 GLY 57 1HA GLY 57 33.189 1.209 -10.067 424 HA3 GLY 57 2HA GLY 57 34.667 2.162 -9.831 425 HA PRO 58 HA PRO 58 32.379 3.504 -13.828 426 HB2 PRO 58 1HB PRO 58 30.603 5.397 -13.023 427 HB3 PRO 58 2HB PRO 58 30.259 3.661 -12.831 428 HG2 PRO 58 1HG PRO 58 31.476 5.544 -10.767 429 HG3 PRO 58 2HG PRO 58 30.001 4.546 -10.577 430 HD2 PRO 58 1HD PRO 58 32.416 3.657 -9.735 431 HD3 PRO 58 2HD PRO 58 31.259 2.536 -10.522 432 H GLY 59 H GLY 59 34.872 4.278 -12.354 433 HA2 GLY 59 1HA GLY 59 36.533 5.835 -12.646 434 HA3 GLY 59 2HA GLY 59 35.457 6.739 -13.743 435 H GLY 60 H GLY 60 36.647 8.560 -12.438 436 HA2 GLY 60 1HA GLY 60 35.136 10.203 -11.119 437 HA3 GLY 60 2HA GLY 60 35.394 9.069 -9.784 438 H GLN 61 H GLN 61 37.321 9.142 -8.650 439 HA GLN 61 HA GLN 61 39.051 11.443 -9.164 440 HB2 GLN 61 1HB GLN 61 39.003 9.281 -7.015 441 HB3 GLN 61 2HB GLN 61 40.227 10.554 -7.073 442 HG2 GLN 61 1HG GLN 61 38.559 12.303 -6.878 443 HG3 GLN 61 2HG GLN 61 37.241 11.132 -6.987 444 HE21 GLN 61 1HE2 GLN 61 36.280 11.180 -5.013 445 HE22 GLN 61 2HE2 GLN 61 37.121 11.014 -3.475 446 H ALA 62 H ALA 62 41.417 11.189 -9.072 447 HA ALA 62 HA ALA 62 42.377 9.565 -11.194 448 HB1 ALA 62 1HB ALA 62 43.918 11.137 -9.082 449 HB2 ALA 62 2HB ALA 62 44.547 10.572 -10.641 450 HB3 ALA 62 3HB ALA 62 43.273 11.799 -10.607 451 H THR 63 H THR 63 41.709 8.415 -8.046 452 HA THR 63 HA THR 63 43.538 6.180 -8.507 453 HB THR 63 HB THR 63 44.356 6.090 -6.248 454 HG1 THR 63 1HG THR 63 42.900 8.467 -5.832 455 HG21 THR 63 3HG2 THR 63 44.965 8.876 -7.305 456 HG22 THR 63 1HG2 THR 63 45.755 7.375 -7.832 457 HG23 THR 63 2HG2 THR 63 45.926 7.930 -6.155 458 H ASN 64 H ASN 64 42.884 4.263 -7.336 459 HA ASN 64 HA ASN 64 40.048 4.212 -6.464 460 HB2 ASN 64 1HB ASN 64 39.815 2.166 -7.671 461 HB3 ASN 64 2HB ASN 64 40.478 3.348 -8.799 462 HD21 ASN 64 1HD2 ASN 64 40.632 0.366 -8.932 463 HD22 ASN 64 2HD2 ASN 64 42.358 0.030 -8.953 464 H LYS 65 H LYS 65 42.543 4.449 -4.829 465 HA LYS 65 HA LYS 65 43.383 1.981 -3.723 466 HB2 LYS 65 1HB LYS 65 43.081 4.714 -2.388 467 HB3 LYS 65 2HB LYS 65 43.886 3.347 -1.627 468 HG2 LYS 65 1HG LYS 65 44.793 4.611 -4.254 469 HG3 LYS 65 2HG LYS 65 45.431 5.015 -2.660 470 HD2 LYS 65 1HD LYS 65 46.155 2.622 -2.364 471 HD3 LYS 65 2HD LYS 65 45.574 2.278 -3.995 472 HE2 LYS 65 1HE LYS 65 47.937 2.576 -4.135 473 HE3 LYS 65 2HE LYS 65 47.162 3.949 -4.930 474 HZ1 LYS 65 3HZ LYS 65 48.996 4.637 -3.534 475 HZ2 LYS 65 1HZ LYS 65 48.313 3.967 -2.200 476 HZ3 LYS 65 2HZ LYS 65 47.597 5.256 -2.935 477 H THR 66 H THR 66 40.459 3.919 -2.880 478 HA THR 66 HA THR 66 39.755 1.958 -0.838 479 HB THR 66 HB THR 66 37.966 4.153 -1.882 480 HG1 THR 66 1HG THR 66 38.963 5.580 -0.533 481 HG21 THR 66 3HG2 THR 66 37.218 4.184 0.483 482 HG22 THR 66 1HG2 THR 66 38.451 2.982 0.912 483 HG23 THR 66 2HG2 THR 66 37.106 2.542 -0.158 484 H SER 67 H SER 67 38.412 0.223 -1.292 485 HA SER 67 HA SER 67 36.891 0.205 -3.822 486 HB2 SER 67 1HB SER 67 39.372 -1.009 -3.698 487 HB3 SER 67 2HB SER 67 38.298 -2.349 -3.283 488 HG SER 67 HG SER 67 38.133 -2.410 -5.405 489 H ASN 68 H ASN 68 36.524 0.075 -0.634 490 HA ASN 68 HA ASN 68 34.887 -2.374 -0.488 491 HB2 ASN 68 1HB ASN 68 36.215 -1.747 1.462 492 HB3 ASN 68 2HB ASN 68 35.359 -0.211 1.593 493 HD21 ASN 68 1HD2 ASN 68 35.499 -2.602 3.512 494 HD22 ASN 68 2HD2 ASN 68 33.805 -3.050 3.696 495 H CYS 69 H CYS 69 32.987 -2.261 -1.547 496 HA CYS 69 HA CYS 69 31.108 -0.034 -1.067 497 HB2 CYS 69 1HB CYS 69 32.061 0.667 -3.152 498 HB3 CYS 69 2HB CYS 69 32.188 -0.998 -3.742 499 HG CYS 69 HG CYS 69 29.680 -1.453 -4.061 500 H VAL 70 H VAL 70 29.015 -0.884 -0.815 501 HA VAL 70 HA VAL 70 28.652 -3.780 -1.415 502 HB VAL 70 HB VAL 70 27.704 -2.096 0.947 503 HG11 VAL 70 1HG1 VAL 70 26.722 -4.145 1.884 504 HG12 VAL 70 2HG1 VAL 70 25.924 -3.709 0.376 505 HG13 VAL 70 3HG1 VAL 70 27.103 -5.033 0.404 506 HG21 VAL 70 3HG2 VAL 70 29.013 -3.713 2.323 507 HG22 VAL 70 1HG2 VAL 70 29.619 -4.453 0.829 508 HG23 VAL 70 2HG2 VAL 70 30.040 -2.776 1.229 509 H VAL 71 H VAL 71 26.525 -4.316 -2.207 510 HA VAL 71 HA VAL 71 24.675 -2.129 -2.901 511 HB VAL 71 HB VAL 71 25.692 -4.264 -4.809 512 HG11 VAL 71 1HG1 VAL 71 24.308 -3.093 -6.503 513 HG12 VAL 71 2HG1 VAL 71 23.310 -3.719 -5.192 514 HG13 VAL 71 3HG1 VAL 71 23.697 -1.985 -5.259 515 HG21 VAL 71 3HG2 VAL 71 26.647 -2.483 -6.157 516 HG22 VAL 71 1HG2 VAL 71 26.172 -1.266 -4.964 517 HG23 VAL 71 2HG2 VAL 71 27.373 -2.490 -4.551 518 H LEU 72 H LEU 72 22.639 -2.818 -2.308 519 HA LEU 72 HA LEU 72 22.240 -5.711 -1.655 520 HB2 LEU 72 1HB LEU 72 22.801 -4.204 0.348 521 HB3 LEU 72 2HB LEU 72 21.341 -3.293 -0.043 522 HG LEU 72 HG LEU 72 20.113 -5.618 0.178 523 HD11 LEU 72 1HD1 LEU 72 22.261 -6.955 0.310 524 HD12 LEU 72 2HD1 LEU 72 21.190 -7.198 1.686 525 HD13 LEU 72 3HD1 LEU 72 22.627 -6.159 1.851 526 HD21 LEU 72 3HD2 LEU 72 19.773 -5.246 2.508 527 HD22 LEU 72 1HD2 LEU 72 19.889 -3.676 1.711 528 HD23 LEU 72 2HD2 LEU 72 21.276 -4.299 2.645 529 H LYS 73 H LYS 73 20.136 -6.471 -2.112 530 HA LYS 73 HA LYS 73 18.111 -4.533 -2.930 531 HB2 LYS 73 1HB LYS 73 17.834 -5.124 -5.051 532 HB3 LYS 73 2HB LYS 73 19.569 -5.143 -4.891 533 HG2 LYS 73 1HG LYS 73 19.430 -7.046 -6.027 534 HG3 LYS 73 2HG LYS 73 18.992 -7.806 -4.474 535 HD2 LYS 73 1HD LYS 73 16.596 -7.424 -5.011 536 HD3 LYS 73 2HD LYS 73 17.012 -6.635 -6.526 537 HE2 LYS 73 1HE LYS 73 17.573 -9.533 -5.803 538 HE3 LYS 73 2HE LYS 73 16.256 -8.907 -6.818 539 HZ1 LYS 73 3HZ LYS 73 19.131 -8.712 -7.508 540 HZ2 LYS 73 1HZ LYS 73 17.843 -8.231 -8.450 541 HZ3 LYS 73 2HZ LYS 73 18.062 -9.804 -8.071 542 H HIS 74 H HIS 74 16.016 -5.194 -2.809 543 HA HIS 74 HA HIS 74 15.517 -7.509 -1.024 544 HB2 HIS 74 1HB HIS 74 14.464 -5.052 -0.939 545 HB3 HIS 74 2HB HIS 74 13.380 -5.654 -2.158 546 HD1 HIS 74 1HD HIS 74 11.143 -6.442 -0.950 547 HD2 HIS 74 2HD HIS 74 14.639 -6.611 1.409 548 HE1 HIS 74 1HE HIS 74 10.427 -7.120 1.407 549 H VAL 75 H VAL 75 14.969 -9.503 -2.014 550 HA VAL 75 HA VAL 75 14.768 -9.695 -4.852 551 HB VAL 75 HB VAL 75 14.335 -11.506 -2.515 552 HG11 VAL 75 1HG1 VAL 75 12.614 -12.306 -4.019 553 HG12 VAL 75 2HG1 VAL 75 13.749 -12.258 -5.385 554 HG13 VAL 75 3HG1 VAL 75 13.960 -13.422 -4.045 555 HG21 VAL 75 3HG2 VAL 75 16.244 -11.640 -4.877 556 HG22 VAL 75 1HG2 VAL 75 16.639 -10.973 -3.272 557 HG23 VAL 75 2HG2 VAL 75 16.255 -12.685 -3.439 558 HA PRO 76 HA PRO 76 10.068 -10.435 -4.395 559 HB2 PRO 76 1HB PRO 76 8.734 -9.370 -2.215 560 HB3 PRO 76 2HB PRO 76 9.314 -11.050 -2.380 561 HG2 PRO 76 1HG PRO 76 10.734 -8.775 -1.020 562 HG3 PRO 76 2HG PRO 76 10.427 -10.424 -0.379 563 HD2 PRO 76 1HD PRO 76 12.775 -9.791 -1.457 564 HD3 PRO 76 2HD PRO 76 12.018 -11.351 -1.890 565 H SER 77 H SER 77 11.354 -7.435 -3.055 566 HA SER 77 HA SER 77 9.315 -5.889 -4.556 567 HB2 SER 77 1HB SER 77 11.476 -4.751 -2.783 568 HB3 SER 77 2HB SER 77 9.962 -3.992 -3.306 569 HG SER 77 HG SER 77 8.823 -5.560 -2.151 570 H GLY 78 H GLY 78 12.544 -6.947 -5.076 571 HA2 GLY 78 1HA GLY 78 14.024 -6.617 -6.719 572 HA3 GLY 78 2HA GLY 78 12.754 -5.858 -7.671 573 H ILE 79 H ILE 79 13.187 -4.249 -4.723 574 HA ILE 79 HA ILE 79 14.246 -1.857 -5.921 575 HB ILE 79 HB ILE 79 13.679 -2.660 -3.029 576 HG12 ILE 79 1HG1 ILE 79 12.183 -0.885 -5.019 577 HG13 ILE 79 2HG1 ILE 79 11.702 -2.505 -4.535 578 HG21 ILE 79 1HG2 ILE 79 14.292 0.138 -4.087 579 HG22 ILE 79 2HG2 ILE 79 13.936 -0.351 -2.413 580 HG23 ILE 79 3HG2 ILE 79 15.438 -0.849 -3.150 581 HD11 ILE 79 3HD1 ILE 79 11.436 -1.677 -2.178 582 HD12 ILE 79 1HD1 ILE 79 11.673 -0.030 -2.797 583 HD13 ILE 79 2HD1 ILE 79 10.306 -0.995 -3.363 584 H VAL 80 H VAL 80 16.356 -1.465 -6.298 585 HA VAL 80 HA VAL 80 18.477 -2.994 -4.867 586 HB VAL 80 HB VAL 80 18.328 -1.820 -7.667 587 HG11 VAL 80 1HG1 VAL 80 20.678 -3.216 -6.311 588 HG12 VAL 80 2HG1 VAL 80 20.575 -2.773 -8.033 589 HG13 VAL 80 3HG1 VAL 80 20.610 -1.512 -6.809 590 HG21 VAL 80 3HG2 VAL 80 17.258 -4.179 -7.195 591 HG22 VAL 80 1HG2 VAL 80 18.384 -4.010 -8.547 592 HG23 VAL 80 2HG2 VAL 80 18.917 -4.737 -7.038 593 H VAL 81 H VAL 81 19.863 -1.797 -3.591 594 HA VAL 81 HA VAL 81 20.146 1.053 -4.138 595 HB VAL 81 HB VAL 81 18.276 0.556 -2.387 596 HG11 VAL 81 1HG1 VAL 81 19.726 -1.019 -0.975 597 HG12 VAL 81 2HG1 VAL 81 20.653 0.402 -0.475 598 HG13 VAL 81 3HG1 VAL 81 18.914 0.294 -0.115 599 HG21 VAL 81 3HG2 VAL 81 18.837 2.590 -1.165 600 HG22 VAL 81 1HG2 VAL 81 20.509 2.524 -1.725 601 HG23 VAL 81 2HG2 VAL 81 19.196 2.783 -2.891 602 H LYS 82 H LYS 82 22.009 1.940 -3.091 603 HA LYS 82 HA LYS 82 24.030 0.013 -2.169 604 HB2 LYS 82 1HB LYS 82 25.658 1.226 -3.744 605 HB3 LYS 82 2HB LYS 82 24.555 0.042 -4.459 606 HG2 LYS 82 1HG LYS 82 23.102 1.705 -5.329 607 HG3 LYS 82 2HG LYS 82 23.965 3.000 -4.460 608 HD2 LYS 82 1HD LYS 82 25.934 2.656 -5.902 609 HD3 LYS 82 2HD LYS 82 25.139 1.264 -6.669 610 HE2 LYS 82 1HE LYS 82 24.875 3.249 -8.081 611 HE3 LYS 82 2HE LYS 82 23.304 2.709 -7.469 612 HZ1 LYS 82 3HZ LYS 82 23.658 5.106 -7.332 613 HZ2 LYS 82 1HZ LYS 82 24.912 4.908 -6.327 614 HZ3 LYS 82 2HZ LYS 82 23.408 4.509 -5.807 615 H CYS 83 H CYS 83 25.329 0.946 -0.691 616 HA CYS 83 HA CYS 83 25.061 3.822 -0.104 617 HB2 CYS 83 1HB CYS 83 23.363 2.414 1.223 618 HB3 CYS 83 2HB CYS 83 24.748 1.601 1.966 619 HG CYS 83 HG CYS 83 23.832 4.787 1.978 620 H HIS 84 H HIS 84 26.828 4.413 1.444 621 HA HIS 84 HA HIS 84 29.107 2.680 1.753 622 HB2 HIS 84 1HB HIS 84 30.588 4.420 0.637 623 HB3 HIS 84 2HB HIS 84 29.650 3.416 -0.471 624 HD1 HIS 84 1HD HIS 84 30.046 7.046 0.643 625 HD2 HIS 84 2HD HIS 84 27.532 4.625 -1.754 626 HE1 HIS 84 1HE HIS 84 28.670 8.617 -0.837 627 H GLN 85 H GLN 85 30.438 3.640 3.363 628 HA GLN 85 HA GLN 85 30.004 6.261 4.417 629 HB2 GLN 85 1HB GLN 85 27.851 5.143 5.217 630 HB3 GLN 85 2HB GLN 85 28.841 3.984 6.094 631 HG2 GLN 85 1HG GLN 85 29.812 5.890 7.412 632 HG3 GLN 85 2HG GLN 85 28.795 7.006 6.512 633 HE21 GLN 85 1HE2 GLN 85 28.986 5.846 9.480 634 HE22 GLN 85 2HE2 GLN 85 27.291 5.546 9.828 635 H THR 86 H THR 86 30.975 2.842 5.126 636 HA THR 86 HA THR 86 33.405 3.946 6.457 637 HB THR 86 HB THR 86 33.192 2.268 8.108 638 HG1 THR 86 1HG THR 86 31.130 1.165 6.508 639 HG21 THR 86 3HG2 THR 86 31.663 4.225 8.427 640 HG22 THR 86 1HG2 THR 86 31.135 2.740 9.224 641 HG23 THR 86 2HG2 THR 86 30.332 3.245 7.751 642 H ARG 87 H ARG 87 34.937 1.928 6.841 643 HA ARG 87 HA ARG 87 35.508 0.814 4.127 644 HB2 ARG 87 1HB ARG 87 37.250 1.486 6.464 645 HB3 ARG 87 2HB ARG 87 37.808 0.525 5.081 646 HG2 ARG 87 1HG ARG 87 37.367 2.245 3.494 647 HG3 ARG 87 2HG ARG 87 36.407 3.201 4.617 648 HD2 ARG 87 1HD ARG 87 39.355 2.648 4.860 649 HD3 ARG 87 2HD ARG 87 38.632 4.153 4.252 650 HE ARG 87 HE ARG 87 38.915 3.292 7.023 651 HH11 ARG 87 1HH1 ARG 87 37.074 5.553 4.903 652 HH12 ARG 87 2HH1 ARG 87 36.227 6.223 6.270 653 HH21 ARG 87 1HH2 ARG 87 37.576 4.219 8.746 654 HH22 ARG 87 2HH2 ARG 87 36.580 5.576 8.321 655 H SER 88 H SER 88 33.932 -0.193 6.937 656 HA SER 88 HA SER 88 35.073 -2.936 6.939 657 HB2 SER 88 1HB SER 88 33.258 -1.351 8.800 658 HB3 SER 88 2HB SER 88 33.435 -3.107 8.904 659 HG SER 88 HG SER 88 35.454 -1.129 9.271 660 H VAL 89 H VAL 89 34.091 -4.295 5.496 661 HA VAL 89 HA VAL 89 31.717 -3.701 4.092 662 HB VAL 89 HB VAL 89 33.348 -5.244 3.229 663 HG11 VAL 89 1HG1 VAL 89 32.581 -7.269 5.370 664 HG12 VAL 89 2HG1 VAL 89 33.712 -7.499 4.033 665 HG13 VAL 89 3HG1 VAL 89 34.115 -6.365 5.318 666 HG21 VAL 89 3HG2 VAL 89 31.051 -5.485 2.426 667 HG22 VAL 89 1HG2 VAL 89 31.857 -7.059 2.449 668 HG23 VAL 89 2HG2 VAL 89 30.690 -6.655 3.711 669 H ASP 90 H ASP 90 32.170 -5.721 7.014 670 HA ASP 90 HA ASP 90 29.550 -6.595 7.399 671 HB2 ASP 90 1HB ASP 90 31.370 -7.519 8.635 672 HB3 ASP 90 2HB ASP 90 31.854 -5.931 9.242 673 H GLN 91 H GLN 91 30.920 -3.380 8.148 674 HA GLN 91 HA GLN 91 28.543 -2.648 9.714 675 HB2 GLN 91 1HB GLN 91 31.050 -1.808 9.954 676 HB3 GLN 91 2HB GLN 91 30.527 -0.689 8.679 677 HG2 GLN 91 1HG GLN 91 28.937 0.357 10.087 678 HG3 GLN 91 2HG GLN 91 28.866 -1.014 11.195 679 HE21 GLN 91 1HE2 GLN 91 30.452 -1.246 12.884 680 HE22 GLN 91 2HE2 GLN 91 31.585 0.059 13.223 681 H ASN 92 H ASN 92 30.011 -1.931 6.519 682 HA ASN 92 HA ASN 92 28.040 -0.148 5.550 683 HB2 ASN 92 1HB ASN 92 29.883 -2.092 4.119 684 HB3 ASN 92 2HB ASN 92 28.811 -0.990 3.265 685 HD21 ASN 92 1HD2 ASN 92 31.682 -0.851 2.914 686 HD22 ASN 92 2HD2 ASN 92 32.106 0.705 3.569 687 H ARG 93 H ARG 93 28.078 -3.729 5.635 688 HA ARG 93 HA ARG 93 25.763 -4.158 4.029 689 HB2 ARG 93 1HB ARG 93 26.965 -5.765 6.321 690 HB3 ARG 93 2HB ARG 93 25.495 -6.264 5.481 691 HG2 ARG 93 1HG ARG 93 26.772 -6.233 3.303 692 HG3 ARG 93 2HG ARG 93 28.248 -5.980 4.225 693 HD2 ARG 93 1HD ARG 93 26.390 -8.385 4.307 694 HD3 ARG 93 2HD ARG 93 28.042 -8.307 3.689 695 HE ARG 93 HE ARG 93 27.491 -7.782 6.581 696 HH11 ARG 93 1HH1 ARG 93 28.639 -10.248 4.236 697 HH12 ARG 93 2HH1 ARG 93 29.459 -11.126 5.489 698 HH21 ARG 93 1HH2 ARG 93 28.408 -9.026 8.090 699 HH22 ARG 93 2HH2 ARG 93 29.379 -10.429 7.701 700 H LYS 94 H LYS 94 25.970 -3.739 7.691 701 HA LYS 94 HA LYS 94 23.114 -3.934 7.850 702 HB2 LYS 94 1HB LYS 94 23.244 -3.112 10.089 703 HB3 LYS 94 2HB LYS 94 24.414 -4.378 9.809 704 HG2 LYS 94 1HG LYS 94 26.249 -3.009 10.065 705 HG3 LYS 94 2HG LYS 94 25.404 -1.550 9.538 706 HD2 LYS 94 1HD LYS 94 24.759 -2.899 12.161 707 HD3 LYS 94 2HD LYS 94 25.986 -1.629 12.007 708 HE2 LYS 94 1HE LYS 94 23.165 -1.257 10.936 709 HE3 LYS 94 2HE LYS 94 23.524 -0.957 12.632 710 HZ1 LYS 94 3HZ LYS 94 23.614 0.996 11.191 711 HZ2 LYS 94 1HZ LYS 94 24.973 0.423 10.460 712 HZ3 LYS 94 2HZ LYS 94 24.960 0.780 12.079 713 H ILE 95 H ILE 95 25.199 -1.120 7.312 714 HA ILE 95 HA ILE 95 23.176 0.869 7.709 715 HB ILE 95 HB ILE 95 25.686 0.875 5.978 716 HG12 ILE 95 1HG1 ILE 95 25.292 2.192 8.715 717 HG13 ILE 95 2HG1 ILE 95 25.883 0.549 8.589 718 HG21 ILE 95 1HG2 ILE 95 24.134 2.652 5.276 719 HG22 ILE 95 2HG2 ILE 95 23.908 3.149 6.964 720 HG23 ILE 95 3HG2 ILE 95 25.474 3.384 6.149 721 HD11 ILE 95 3HD1 ILE 95 27.820 1.303 7.246 722 HD12 ILE 95 1HD1 ILE 95 27.266 2.977 7.416 723 HD13 ILE 95 2HD1 ILE 95 27.753 2.061 8.846 724 H ALA 96 H ALA 96 24.167 -1.007 4.815 725 HA ALA 96 HA ALA 96 22.397 0.306 2.992 726 HB1 ALA 96 1HB ALA 96 23.383 -2.579 2.865 727 HB2 ALA 96 2HB ALA 96 22.915 -1.521 1.512 728 HB3 ALA 96 3HB ALA 96 24.386 -1.180 2.474 729 H ARG 97 H ARG 97 22.079 -2.511 5.131 730 HA ARG 97 HA ARG 97 19.641 -3.511 4.180 731 HB2 ARG 97 1HB ARG 97 21.508 -4.196 6.117 732 HB3 ARG 97 2HB ARG 97 20.124 -3.785 7.114 733 HG2 ARG 97 1HG ARG 97 19.948 -5.620 4.674 734 HG3 ARG 97 2HG ARG 97 20.478 -6.194 6.217 735 HD2 ARG 97 1HD ARG 97 17.813 -4.798 5.761 736 HD3 ARG 97 2HD ARG 97 18.019 -6.548 5.739 737 HE ARG 97 HE ARG 97 17.645 -4.930 8.019 738 HH11 ARG 97 1HH1 ARG 97 20.062 -7.503 7.207 739 HH12 ARG 97 2HH1 ARG 97 19.583 -8.462 8.564 740 HH21 ARG 97 1HH2 ARG 97 17.232 -6.300 9.913 741 HH22 ARG 97 2HH2 ARG 97 18.171 -7.780 10.068 742 H LYS 98 H LYS 98 20.109 -1.187 6.918 743 HA LYS 98 HA LYS 98 17.283 -0.966 7.213 744 HB2 LYS 98 1HB LYS 98 17.658 0.964 8.606 745 HB3 LYS 98 2HB LYS 98 18.633 -0.425 9.040 746 HG2 LYS 98 1HG LYS 98 20.115 1.212 9.377 747 HG3 LYS 98 2HG LYS 98 20.554 0.787 7.730 748 HD2 LYS 98 1HD LYS 98 19.236 2.757 6.908 749 HD3 LYS 98 2HD LYS 98 18.745 3.129 8.557 750 HE2 LYS 98 1HE LYS 98 21.634 2.994 7.581 751 HE3 LYS 98 2HE LYS 98 20.689 4.486 7.645 752 HZ1 LYS 98 3HZ LYS 98 21.249 2.803 10.014 753 HZ2 LYS 98 1HZ LYS 98 20.520 4.288 10.005 754 HZ3 LYS 98 2HZ LYS 98 22.121 4.100 9.615 755 H VAL 99 H VAL 99 19.478 1.047 5.127 756 HA VAL 99 HA VAL 99 17.332 2.809 4.512 757 HB VAL 99 HB VAL 99 19.678 3.365 4.194 758 HG11 VAL 99 1HG1 VAL 99 19.639 1.560 1.778 759 HG12 VAL 99 2HG1 VAL 99 20.863 2.808 2.111 760 HG13 VAL 99 3HG1 VAL 99 20.654 1.467 3.239 761 HG21 VAL 99 3HG2 VAL 99 19.348 4.692 2.137 762 HG22 VAL 99 1HG2 VAL 99 17.997 3.643 1.644 763 HG23 VAL 99 2HG2 VAL 99 17.854 4.653 3.089 764 H LEU 100 H LEU 100 18.139 -0.359 3.167 765 HA LEU 100 HA LEU 100 16.446 -0.153 0.852 766 HB2 LEU 100 1HB LEU 100 17.994 -1.935 0.852 767 HB3 LEU 100 2HB LEU 100 17.553 -2.454 2.477 768 HG LEU 100 HG LEU 100 15.454 -3.366 1.730 769 HD11 LEU 100 1HD1 LEU 100 15.755 -3.296 -1.163 770 HD12 LEU 100 2HD1 LEU 100 15.676 -1.649 -0.550 771 HD13 LEU 100 3HD1 LEU 100 14.397 -2.793 -0.153 772 HD21 LEU 100 3HD2 LEU 100 17.462 -4.750 1.654 773 HD22 LEU 100 1HD2 LEU 100 17.774 -4.249 -0.026 774 HD23 LEU 100 2HD2 LEU 100 16.337 -5.215 0.386 775 H GLN 101 H GLN 101 15.786 -1.096 4.239 776 HA GLN 101 HA GLN 101 13.138 -1.956 3.907 777 HB2 GLN 101 1HB GLN 101 14.778 -1.990 5.938 778 HB3 GLN 101 2HB GLN 101 14.112 -0.407 6.339 779 HG2 GLN 101 1HG GLN 101 11.907 -1.295 6.621 780 HG3 GLN 101 2HG GLN 101 12.338 -2.830 5.857 781 HE21 GLN 101 1HE2 GLN 101 11.075 -2.972 8.217 782 HE22 GLN 101 2HE2 GLN 101 12.159 -3.335 9.551 783 H GLU 102 H GLU 102 14.425 1.331 4.455 784 HA GLU 102 HA GLU 102 11.993 2.701 4.646 785 HB2 GLU 102 1HB GLU 102 14.631 3.727 3.515 786 HB3 GLU 102 2HB GLU 102 13.273 4.694 4.083 787 HG2 GLU 102 1HG GLU 102 13.495 3.407 6.309 788 HG3 GLU 102 2HG GLU 102 15.044 2.829 5.705 789 H LYS 103 H LYS 103 13.392 1.329 1.913 790 HA LYS 103 HA LYS 103 11.857 3.006 -0.029 791 HB2 LYS 103 1HB LYS 103 13.744 0.655 -0.451 792 HB3 LYS 103 2HB LYS 103 12.947 1.606 -1.737 793 HG2 LYS 103 1HG LYS 103 14.011 3.652 -0.785 794 HG3 LYS 103 2HG LYS 103 14.938 2.658 0.326 795 HD2 LYS 103 1HD LYS 103 16.184 1.627 -1.402 796 HD3 LYS 103 2HD LYS 103 15.072 2.155 -2.671 797 HE2 LYS 103 1HE LYS 103 16.827 3.991 -0.984 798 HE3 LYS 103 2HE LYS 103 17.158 3.487 -2.646 799 HZ1 LYS 103 3HZ LYS 103 14.956 4.546 -3.214 800 HZ2 LYS 103 1HZ LYS 103 16.136 5.615 -2.740 801 HZ3 LYS 103 2HZ LYS 103 14.962 5.198 -1.699 802 H VAL 104 H VAL 104 11.866 -0.274 1.358 803 HA VAL 104 HA VAL 104 9.678 -1.236 -0.268 804 HB VAL 104 HB VAL 104 11.037 -2.228 2.264 805 HG11 VAL 104 1HG1 VAL 104 9.816 -4.364 1.971 806 HG12 VAL 104 2HG1 VAL 104 8.709 -3.053 2.377 807 HG13 VAL 104 3HG1 VAL 104 8.822 -3.614 0.693 808 HG21 VAL 104 3HG2 VAL 104 11.843 -3.965 0.672 809 HG22 VAL 104 1HG2 VAL 104 10.904 -3.224 -0.620 810 HG23 VAL 104 2HG2 VAL 104 12.270 -2.345 0.109 811 H ASP 105 H ASP 105 9.938 0.517 2.812 812 HA ASP 105 HA ASP 105 7.346 0.385 3.836 813 HB2 ASP 105 1HB ASP 105 9.147 2.837 3.583 814 HB3 ASP 105 2HB ASP 105 7.687 2.760 4.560 815 H VAL 106 H VAL 106 8.590 2.787 1.542 816 HA VAL 106 HA VAL 106 6.100 3.974 0.921 817 HB VAL 106 HB VAL 106 8.602 3.921 -0.808 818 HG11 VAL 106 1HG1 VAL 106 6.266 5.884 -0.580 819 HG12 VAL 106 2HG1 VAL 106 7.706 6.155 -1.546 820 HG13 VAL 106 3HG1 VAL 106 6.616 4.834 -1.975 821 HG21 VAL 106 3HG2 VAL 106 9.182 4.692 1.481 822 HG22 VAL 106 1HG2 VAL 106 9.194 6.038 0.354 823 HG23 VAL 106 2HG2 VAL 106 7.820 5.826 1.453 824 H PHE 107 H PHE 107 7.801 1.159 -0.582 825 HA PHE 107 HA PHE 107 6.004 0.974 -2.788 826 HB2 PHE 107 1HB PHE 107 8.233 -0.222 -2.473 827 HB3 PHE 107 2HB PHE 107 7.384 -1.384 -1.462 828 HD1 PHE 107 1HD PHE 107 5.337 -2.640 -2.517 829 HD2 PHE 107 2HD PHE 107 8.239 -0.443 -4.839 830 HE1 PHE 107 1HE PHE 107 4.524 -3.741 -4.569 831 HE2 PHE 107 2HE PHE 107 7.461 -1.595 -6.884 832 HZ PHE 107 HZ PHE 107 5.577 -3.216 -6.771 833 H TYR 108 H TYR 108 5.798 -0.287 0.563 834 HA TYR 108 HA TYR 108 3.407 -1.839 0.068 835 HB2 TYR 108 1HB TYR 108 4.989 -0.995 2.481 836 HB3 TYR 108 2HB TYR 108 3.382 -1.673 2.689 837 HD1 TYR 108 1HD TYR 108 6.103 -2.707 0.260 838 HD2 TYR 108 2HD TYR 108 3.693 -3.761 3.679 839 HE1 TYR 108 1HE TYR 108 6.986 -4.983 0.169 840 HE2 TYR 108 2HE TYR 108 4.614 -6.048 3.631 841 HH TYR 108 HH TYR 108 5.757 -7.617 2.129 842 H ASN 109 H ASN 109 3.914 1.494 1.209 843 HA ASN 109 HA ASN 109 0.922 1.684 1.556 844 HB2 ASN 109 1HB ASN 109 1.133 3.364 3.067 845 HB3 ASN 109 2HB ASN 109 2.373 2.196 3.521 846 HD21 ASN 109 1HD2 ASN 109 4.676 2.764 2.809 847 HD22 ASN 109 2HD2 ASN 109 5.108 4.443 2.822 848 H SER 110 H SER 110 3.239 2.662 -0.595 849 HA SER 110 HA SER 110 1.377 4.478 -2.014 850 HB2 SER 110 1HB SER 110 2.776 5.872 -0.487 851 HB3 SER 110 2HB SER 110 4.234 5.174 -1.199 852 HG SER 110 HG SER 110 3.613 6.061 -3.179 853 H GLY 111 H GLY 111 2.296 1.679 -2.503 854 HA2 GLY 111 1HA GLY 111 4.433 1.474 -4.279 855 HA3 GLY 111 2HA GLY 111 3.053 0.379 -4.163 856 HA PRO 112 HA PRO 112 3.265 2.500 -8.385 857 HB2 PRO 112 1HB PRO 112 3.533 0.184 -9.884 858 HB3 PRO 112 2HB PRO 112 4.904 1.142 -9.254 859 HG2 PRO 112 1HG PRO 112 3.640 -1.331 -8.057 860 HG3 PRO 112 2HG PRO 112 5.380 -0.975 -8.306 861 HD2 PRO 112 1HD PRO 112 4.196 -0.588 -5.899 862 HD3 PRO 112 2HD PRO 112 5.403 0.585 -6.510 863 H SER 113 H SER 113 1.434 0.049 -6.758 864 HA SER 113 HA SER 113 -1.002 0.770 -8.207 865 HB2 SER 113 1HB SER 113 0.285 -1.680 -8.684 866 HB3 SER 113 2HB SER 113 -0.846 -2.077 -7.382 867 HG SER 113 HG SER 113 -2.163 -2.241 -8.985 868 H SER 114 H SER 114 -1.768 1.973 -6.557 869 HA SER 114 HA SER 114 -2.108 0.730 -3.917 870 HB2 SER 114 1HB SER 114 -1.385 3.006 -2.899 871 HB3 SER 114 2HB SER 114 -0.164 1.829 -3.379 872 HG SER 114 HG SER 114 0.388 2.998 -5.114 873 H GLY 115 H GLY 115 -3.847 1.153 -6.194 874 HA2 GLY 115 1HA GLY 115 -5.538 3.392 -6.031 875 HA3 GLY 115 2HA GLY 115 -5.943 1.794 -6.679 Start of MODEL 16 1 H1 GLY 1 H GLY 1-100.048 14.610 50.842 2 HA2 GLY 1 1HA GLY 1 -99.598 13.610 48.637 3 HA3 GLY 1 2HA GLY 1 -99.864 15.225 47.938 4 H SER 2 H SER 2 -97.380 14.029 47.379 5 HA SER 2 HA SER 2 -95.377 14.514 49.283 6 HB2 SER 2 1HB SER 2 -95.120 14.604 46.255 7 HB3 SER 2 2HB SER 2 -93.920 14.053 47.441 8 HG SER 2 HG SER 2 -94.922 12.261 46.522 9 H SER 3 H SER 3 -93.797 16.272 49.373 10 HA SER 3 HA SER 3 -93.946 18.608 47.790 11 HB2 SER 3 1HB SER 3 -95.999 18.791 49.435 12 HB3 SER 3 2HB SER 3 -94.780 18.974 50.697 13 HG SER 3 HG SER 3 -95.378 20.635 48.506 14 H GLY 4 H GLY 4 -92.359 20.251 49.040 15 HA2 GLY 4 1HA GLY 4 -90.687 20.004 51.016 16 HA3 GLY 4 2HA GLY 4 -90.063 18.670 50.023 17 H SER 5 H SER 5 -88.300 20.609 50.544 18 HA SER 5 HA SER 5 -87.680 21.733 47.952 19 HB2 SER 5 1HB SER 5 -87.349 24.043 49.033 20 HB3 SER 5 2HB SER 5 -89.008 23.566 48.674 21 HG SER 5 HG SER 5 -87.836 23.235 51.243 22 H SER 6 H SER 6 -85.323 22.748 48.170 23 HA SER 6 HA SER 6 -83.896 21.813 50.559 24 HB2 SER 6 1HB SER 6 -82.256 20.551 49.127 25 HB3 SER 6 2HB SER 6 -83.852 19.800 49.252 26 HG SER 6 HG SER 6 -83.913 19.833 47.205 27 H GLY 7 H GLY 7 -81.945 22.887 50.876 28 HA2 GLY 7 1HA GLY 7 -81.502 25.303 49.215 29 HA3 GLY 7 2HA GLY 7 -80.853 24.967 50.836 30 H LYS 8 H LYS 8 -78.970 25.800 49.021 31 HA LYS 8 HA LYS 8 -77.114 23.717 48.929 32 HB2 LYS 8 1HB LYS 8 -76.676 23.739 46.464 33 HB3 LYS 8 2HB LYS 8 -78.032 22.787 46.965 34 HG2 LYS 8 1HG LYS 8 -78.318 25.605 45.819 35 HG3 LYS 8 2HG LYS 8 -78.197 24.172 44.814 36 HD2 LYS 8 1HD LYS 8 -80.469 24.858 46.708 37 HD3 LYS 8 2HD LYS 8 -80.492 24.793 44.950 38 HE2 LYS 8 1HE LYS 8 -80.034 22.325 45.042 39 HE3 LYS 8 2HE LYS 8 -80.069 22.410 46.807 40 HZ1 LYS 8 3HZ LYS 8 -82.194 21.718 46.146 41 HZ2 LYS 8 1HZ LYS 8 -82.345 22.910 45.002 42 HZ3 LYS 8 2HZ LYS 8 -82.365 23.251 46.613 43 H TRP 9 H TRP 9 -75.037 24.642 47.925 44 HA TRP 9 HA TRP 9 -74.968 27.583 47.913 45 HB2 TRP 9 1HB TRP 9 -73.309 25.712 49.670 46 HB3 TRP 9 2HB TRP 9 -72.897 27.398 49.376 47 HD1 TRP 9 HD TRP 9 -74.565 25.437 51.895 48 HE1 TRP 9 1HE TRP 9 -76.057 26.884 53.398 49 HE3 TRP 9 3HE TRP 9 -74.759 29.660 49.014 50 HZ2 TRP 9 2HZ TRP 9 -77.241 29.529 53.332 51 HZ3 TRP 9 3HZ TRP 9 -76.074 31.633 49.762 52 HH2 TRP 9 HH TRP 9 -77.314 31.572 51.912 53 H GLY 10 H GLY 10 -72.434 28.093 47.419 54 HA2 GLY 10 1HA GLY 10 -71.505 26.334 45.225 55 HA3 GLY 10 2HA GLY 10 -71.733 28.087 45.002 56 H LEU 11 H LEU 11 -69.208 26.974 44.644 57 HA LEU 11 HA LEU 11 -67.636 28.227 46.797 58 HB2 LEU 11 1HB LEU 11 -67.251 25.409 45.688 59 HB3 LEU 11 2HB LEU 11 -65.977 26.271 46.531 60 HG LEU 11 HG LEU 11 -68.650 25.569 47.779 61 HD11 LEU 11 1HD1 LEU 11 -67.381 23.859 49.018 62 HD12 LEU 11 2HD1 LEU 11 -65.905 24.279 48.117 63 HD13 LEU 11 3HD1 LEU 11 -67.301 23.568 47.272 64 HD21 LEU 11 3HD2 LEU 11 -66.087 26.712 49.001 65 HD22 LEU 11 1HD2 LEU 11 -67.488 26.127 49.919 66 HD23 LEU 11 2HD2 LEU 11 -67.667 27.532 48.879 67 H ARG 12 H ARG 12 -65.226 28.165 45.883 68 HA ARG 12 HA ARG 12 -65.401 29.137 43.077 69 HB2 ARG 12 1HB ARG 12 -64.851 30.883 44.812 70 HB3 ARG 12 2HB ARG 12 -63.426 29.946 45.256 71 HG2 ARG 12 1HG ARG 12 -62.731 31.746 43.817 72 HG3 ARG 12 2HG ARG 12 -62.533 30.234 42.935 73 HD2 ARG 12 1HD ARG 12 -64.842 30.734 41.865 74 HD3 ARG 12 2HD ARG 12 -64.722 32.330 42.628 75 HE ARG 12 HE ARG 12 -62.444 31.464 40.985 76 HH11 ARG 12 1HH1 ARG 12 -65.556 33.156 40.939 77 HH12 ARG 12 2HH1 ARG 12 -65.244 34.054 39.502 78 HH21 ARG 12 1HH2 ARG 12 -61.977 32.678 39.066 79 HH22 ARG 12 2HH2 ARG 12 -63.127 33.769 38.404 80 H LEU 13 H LEU 13 -63.968 28.341 41.586 81 HA LEU 13 HA LEU 13 -62.276 26.035 42.343 82 HB2 LEU 13 1HB LEU 13 -63.747 26.792 39.767 83 HB3 LEU 13 2HB LEU 13 -62.457 25.615 39.812 84 HG LEU 13 HG LEU 13 -64.554 24.493 39.750 85 HD11 LEU 13 1HD1 LEU 13 -64.308 22.938 41.584 86 HD12 LEU 13 2HD1 LEU 13 -63.388 24.113 42.539 87 HD13 LEU 13 3HD1 LEU 13 -62.703 23.445 41.039 88 HD21 LEU 13 3HD2 LEU 13 -65.337 25.681 42.436 89 HD22 LEU 13 1HD2 LEU 13 -66.268 24.577 41.417 90 HD23 LEU 13 2HD2 LEU 13 -65.970 26.231 40.862 91 H GLN 14 H GLN 14 -60.187 25.976 41.137 92 HA GLN 14 HA GLN 14 -59.239 28.391 39.873 93 HB2 GLN 14 1HB GLN 14 -57.551 28.833 41.622 94 HB3 GLN 14 2HB GLN 14 -59.190 29.079 42.211 95 HG2 GLN 14 1HG GLN 14 -57.503 26.598 42.784 96 HG3 GLN 14 2HG GLN 14 -57.646 27.974 43.857 97 HE21 GLN 14 1HE2 GLN 14 -60.257 28.582 44.181 98 HE22 GLN 14 2HE2 GLN 14 -61.194 27.145 44.606 99 H GLU 15 H GLU 15 -56.832 28.098 39.452 100 HA GLU 15 HA GLU 15 -56.181 25.300 38.746 101 HB2 GLU 15 1HB GLU 15 -55.085 26.111 36.882 102 HB3 GLU 15 2HB GLU 15 -56.713 26.786 36.917 103 HG2 GLU 15 1HG GLU 15 -54.868 28.474 38.424 104 HG3 GLU 15 2HG GLU 15 -54.227 28.112 36.837 105 H LYS 16 H LYS 16 -53.602 25.542 38.124 106 HA LYS 16 HA LYS 16 -52.151 26.503 40.493 107 HB2 LYS 16 1HB LYS 16 -52.300 23.608 39.560 108 HB3 LYS 16 2HB LYS 16 -50.823 24.233 40.288 109 HG2 LYS 16 1HG LYS 16 -52.167 24.987 42.294 110 HG3 LYS 16 2HG LYS 16 -53.585 24.209 41.578 111 HD2 LYS 16 1HD LYS 16 -52.647 22.717 43.192 112 HD3 LYS 16 2HD LYS 16 -52.354 22.039 41.577 113 HE2 LYS 16 1HE LYS 16 -50.022 22.940 41.651 114 HE3 LYS 16 2HE LYS 16 -50.337 23.597 43.264 115 HZ1 LYS 16 3HZ LYS 16 -50.397 20.734 42.529 116 HZ2 LYS 16 1HZ LYS 16 -50.684 21.334 44.038 117 HZ3 LYS 16 2HZ LYS 16 -49.191 21.485 43.358 118 HA PRO 17 HA PRO 17 -49.374 27.643 37.288 119 HB2 PRO 17 1HB PRO 17 -46.949 27.827 38.559 120 HB3 PRO 17 2HB PRO 17 -48.305 28.950 38.893 121 HG2 PRO 17 1HG PRO 17 -47.521 26.457 40.446 122 HG3 PRO 17 2HG PRO 17 -47.861 28.100 41.089 123 HD2 PRO 17 1HD PRO 17 -49.766 26.136 41.066 124 HD3 PRO 17 2HD PRO 17 -50.189 27.845 40.750 125 H ALA 18 H ALA 18 -47.653 26.918 35.959 126 HA ALA 18 HA ALA 18 -47.294 23.995 35.885 127 HB1 ALA 18 1HB ALA 18 -46.651 24.406 33.545 128 HB2 ALA 18 2HB ALA 18 -48.170 25.237 33.893 129 HB3 ALA 18 3HB ALA 18 -46.651 26.158 33.823 130 H LEU 19 H LEU 19 -44.917 23.841 34.452 131 HA LEU 19 HA LEU 19 -42.786 25.086 36.034 132 HB2 LEU 19 1HB LEU 19 -41.645 22.907 36.317 133 HB3 LEU 19 2HB LEU 19 -43.116 23.082 37.244 134 HG LEU 19 HG LEU 19 -44.330 21.639 35.600 135 HD11 LEU 19 1HD1 LEU 19 -41.563 21.218 34.386 136 HD12 LEU 19 2HD1 LEU 19 -43.017 21.819 33.552 137 HD13 LEU 19 3HD1 LEU 19 -42.957 20.155 34.109 138 HD21 LEU 19 3HD2 LEU 19 -43.324 19.549 36.399 139 HD22 LEU 19 1HD2 LEU 19 -43.368 20.757 37.692 140 HD23 LEU 19 2HD2 LEU 19 -41.839 20.417 36.852 141 H LEU 20 H LEU 20 -40.597 24.266 34.911 142 HA LEU 20 HA LEU 20 -40.975 24.581 31.968 143 HB2 LEU 20 1HB LEU 20 -38.681 25.527 33.736 144 HB3 LEU 20 2HB LEU 20 -38.776 25.724 31.997 145 HG LEU 20 HG LEU 20 -40.671 27.003 34.005 146 HD11 LEU 20 1HD1 LEU 20 -39.536 29.103 33.416 147 HD12 LEU 20 2HD1 LEU 20 -38.429 28.219 32.343 148 HD13 LEU 20 3HD1 LEU 20 -38.391 27.934 34.096 149 HD21 LEU 20 3HD2 LEU 20 -40.458 27.365 30.982 150 HD22 LEU 20 1HD2 LEU 20 -41.444 28.367 32.068 151 HD23 LEU 20 2HD2 LEU 20 -41.832 26.657 31.869 152 H PHE 21 H PHE 21 -39.216 23.666 30.684 153 HA PHE 21 HA PHE 21 -38.694 20.935 31.439 154 HB2 PHE 21 1HB PHE 21 -37.974 22.677 29.046 155 HB3 PHE 21 2HB PHE 21 -37.446 21.018 29.170 156 HD1 PHE 21 1HD PHE 21 -38.993 19.127 28.986 157 HD2 PHE 21 2HD PHE 21 -40.403 23.196 28.668 158 HE1 PHE 21 1HE PHE 21 -41.144 18.316 28.063 159 HE2 PHE 21 2HE PHE 21 -42.554 22.372 27.758 160 HZ PHE 21 HZ PHE 21 -42.930 19.934 27.451 161 HA PRO 22 HA PRO 22 -34.602 21.559 33.049 162 HB2 PRO 22 1HB PRO 22 -33.396 19.145 32.659 163 HB3 PRO 22 2HB PRO 22 -34.829 19.315 33.724 164 HG2 PRO 22 1HG PRO 22 -34.767 18.456 30.806 165 HG3 PRO 22 2HG PRO 22 -35.565 17.628 32.181 166 HD2 PRO 22 1HD PRO 22 -36.910 19.330 30.520 167 HD3 PRO 22 2HD PRO 22 -37.295 19.233 32.261 168 H GLY 23 H GLY 23 -32.174 21.216 32.378 169 HA2 GLY 23 1HA GLY 23 -31.750 22.630 29.907 170 HA3 GLY 23 2HA GLY 23 -30.500 21.984 30.995 171 H MET 24 H MET 24 -30.225 21.873 28.227 172 HA MET 24 HA MET 24 -31.046 19.313 27.160 173 HB2 MET 24 1HB MET 24 -28.948 21.329 26.221 174 HB3 MET 24 2HB MET 24 -29.483 19.917 25.300 175 HG2 MET 24 1HG MET 24 -31.804 20.806 25.278 176 HG3 MET 24 2HG MET 24 -31.262 22.221 26.178 177 HE1 MET 24 3HE MET 24 -31.453 20.413 22.749 178 HE2 MET 24 1HE MET 24 -30.333 21.339 21.729 179 HE3 MET 24 2HE MET 24 -29.694 20.277 22.998 180 H ALA 25 H ALA 25 -29.441 17.690 26.363 181 HA ALA 25 HA ALA 25 -26.954 17.393 27.914 182 HB1 ALA 25 1HB ALA 25 -27.571 15.048 28.430 183 HB2 ALA 25 2HB ALA 25 -28.654 16.201 29.238 184 HB3 ALA 25 3HB ALA 25 -29.205 15.326 27.787 185 H ALA 26 H ALA 26 -26.319 18.177 25.804 186 HA ALA 26 HA ALA 26 -26.830 16.595 23.409 187 HB1 ALA 26 1HB ALA 26 -26.606 19.074 23.412 188 HB2 ALA 26 2HB ALA 26 -24.900 18.903 23.908 189 HB3 ALA 26 3HB ALA 26 -25.430 18.292 22.326 190 H SER 27 H SER 27 -24.422 16.505 22.108 191 HA SER 27 HA SER 27 -23.215 14.160 23.176 192 HB2 SER 27 1HB SER 27 -21.555 14.948 21.194 193 HB3 SER 27 2HB SER 27 -23.083 14.095 20.937 194 HG SER 27 HG SER 27 -23.945 15.788 20.064 195 H THR 28 H THR 28 -20.657 14.105 23.243 196 HA THR 28 HA THR 28 -19.620 16.397 24.799 197 HB THR 28 HB THR 28 -20.484 14.688 26.343 198 HG1 THR 28 1HG THR 28 -18.238 14.162 27.236 199 HG21 THR 28 3HG2 THR 28 -20.227 12.668 24.928 200 HG22 THR 28 1HG2 THR 28 -19.484 12.473 26.518 201 HG23 THR 28 2HG2 THR 28 -18.459 12.790 25.097 202 H VAL 29 H VAL 29 -17.147 15.851 25.166 203 HA VAL 29 HA VAL 29 -15.880 16.057 22.614 204 HB VAL 29 HB VAL 29 -13.798 16.007 24.016 205 HG11 VAL 29 1HG1 VAL 29 -14.421 18.066 25.379 206 HG12 VAL 29 2HG1 VAL 29 -14.763 18.138 23.644 207 HG13 VAL 29 3HG1 VAL 29 -16.074 17.856 24.808 208 HG21 VAL 29 3HG2 VAL 29 -15.667 15.651 26.405 209 HG22 VAL 29 1HG2 VAL 29 -14.423 14.506 25.859 210 HG23 VAL 29 2HG2 VAL 29 -13.959 16.086 26.479 211 H GLN 30 H GLN 30 -14.833 14.500 21.386 212 HA GLN 30 HA GLN 30 -14.576 11.750 22.486 213 HB2 GLN 30 1HB GLN 30 -15.923 12.603 19.904 214 HB3 GLN 30 2HB GLN 30 -15.356 10.952 20.170 215 HG2 GLN 30 1HG GLN 30 -17.445 12.386 21.854 216 HG3 GLN 30 2HG GLN 30 -17.708 11.083 20.696 217 HE21 GLN 30 1HE2 GLN 30 -17.160 11.723 23.978 218 HE22 GLN 30 2HE2 GLN 30 -16.808 10.089 24.511 219 H VAL 31 H VAL 31 -13.467 10.408 20.516 220 HA VAL 31 HA VAL 31 -10.742 11.033 20.627 221 HB VAL 31 HB VAL 31 -12.204 9.385 18.512 222 HG11 VAL 31 1HG1 VAL 31 -9.822 9.590 18.061 223 HG12 VAL 31 2HG1 VAL 31 -9.418 9.135 19.720 224 HG13 VAL 31 3HG1 VAL 31 -10.154 7.958 18.609 225 HG21 VAL 31 3HG2 VAL 31 -11.450 8.514 21.338 226 HG22 VAL 31 1HG2 VAL 31 -13.085 8.568 20.632 227 HG23 VAL 31 2HG2 VAL 31 -11.915 7.408 20.031 228 H ALA 32 H ALA 32 -9.319 11.789 18.884 229 HA ALA 32 HA ALA 32 -10.663 13.563 16.907 230 HB1 ALA 32 1HB ALA 32 -8.629 14.999 17.127 231 HB2 ALA 32 2HB ALA 32 -9.506 14.828 18.637 232 HB3 ALA 32 3HB ALA 32 -8.010 13.907 18.377 233 H GLY 33 H GLY 33 -8.468 14.132 15.375 234 HA2 GLY 33 1HA GLY 33 -8.389 11.983 13.540 235 HA3 GLY 33 2HA GLY 33 -7.398 13.459 13.530 236 H ARG 34 H ARG 34 -5.898 11.754 12.574 237 HA ARG 34 HA ARG 34 -4.232 10.589 14.755 238 HB2 ARG 34 1HB ARG 34 -4.643 9.219 12.061 239 HB3 ARG 34 2HB ARG 34 -3.764 8.639 13.440 240 HG2 ARG 34 1HG ARG 34 -5.649 7.347 13.608 241 HG3 ARG 34 2HG ARG 34 -6.094 8.677 14.682 242 HD2 ARG 34 1HD ARG 34 -7.412 9.712 12.836 243 HD3 ARG 34 2HD ARG 34 -6.824 8.496 11.721 244 HE ARG 34 HE ARG 34 -8.848 8.210 13.826 245 HH11 ARG 34 1HH1 ARG 34 -6.836 6.424 11.480 246 HH12 ARG 34 2HH1 ARG 34 -7.960 5.120 11.307 247 HH21 ARG 34 1HH2 ARG 34 -10.438 6.645 13.381 248 HH22 ARG 34 2HH2 ARG 34 -10.014 5.169 12.566 249 H LYS 35 H LYS 35 -2.079 9.997 13.865 250 HA LYS 35 HA LYS 35 -1.018 11.527 11.599 251 HB2 LYS 35 1HB LYS 35 -0.038 11.757 14.496 252 HB3 LYS 35 2HB LYS 35 0.858 12.317 13.078 253 HG2 LYS 35 1HG LYS 35 -1.082 13.833 12.517 254 HG3 LYS 35 2HG LYS 35 -1.783 13.442 14.094 255 HD2 LYS 35 1HD LYS 35 1.011 14.581 13.675 256 HD3 LYS 35 2HD LYS 35 -0.418 15.556 14.024 257 HE2 LYS 35 1HE LYS 35 -0.735 14.527 16.178 258 HE3 LYS 35 2HE LYS 35 0.544 13.329 15.857 259 HZ1 LYS 35 3HZ LYS 35 2.150 15.095 15.824 260 HZ2 LYS 35 1HZ LYS 35 1.310 15.131 17.241 261 HZ3 LYS 35 2HZ LYS 35 0.975 16.243 16.092 262 H ASP 36 H ASP 36 1.439 10.842 11.596 263 HA ASP 36 HA ASP 36 2.796 9.163 11.016 264 HB2 ASP 36 1HB ASP 36 2.322 9.049 13.961 265 HB3 ASP 36 2HB ASP 36 3.213 7.721 13.240 266 H TYR 37 H TYR 37 0.912 8.436 9.622 267 HA TYR 37 HA TYR 37 -0.221 5.852 10.271 268 HB2 TYR 37 1HB TYR 37 -0.242 6.574 7.441 269 HB3 TYR 37 2HB TYR 37 -1.516 6.097 8.508 270 HD1 TYR 37 2HD TYR 37 -1.788 8.176 10.532 271 HD2 TYR 37 1HD TYR 37 -0.646 8.578 6.384 272 HE1 TYR 37 2HE TYR 37 -2.791 10.460 10.442 273 HE2 TYR 37 1HE TYR 37 -1.565 10.852 6.319 274 HH TYR 37 HH TYR 37 -3.169 12.257 7.468 275 HA PRO 38 HA PRO 38 3.006 4.119 7.182 276 HB2 PRO 38 1HB PRO 38 5.141 5.628 6.329 277 HB3 PRO 38 2HB PRO 38 3.561 5.590 5.496 278 HG2 PRO 38 1HG PRO 38 4.526 7.625 7.543 279 HG3 PRO 38 2HG PRO 38 3.799 7.945 5.936 280 HD2 PRO 38 1HD PRO 38 2.266 8.020 8.131 281 HD3 PRO 38 2HD PRO 38 1.668 7.246 6.649 282 H ALA 39 H ALA 39 4.899 2.980 7.715 283 HA ALA 39 HA ALA 39 6.717 3.823 9.841 284 HB1 ALA 39 1HB ALA 39 4.928 1.376 10.170 285 HB2 ALA 39 2HB ALA 39 6.226 1.879 11.258 286 HB3 ALA 39 3HB ALA 39 4.781 2.889 11.113 287 H LEU 40 H LEU 40 8.492 2.254 10.033 288 HA LEU 40 HA LEU 40 9.274 1.239 7.440 289 HB2 LEU 40 1HB LEU 40 10.589 0.900 10.164 290 HB3 LEU 40 2HB LEU 40 11.293 0.404 8.628 291 HG LEU 40 HG LEU 40 10.681 3.249 9.532 292 HD11 LEU 40 1HD1 LEU 40 12.732 2.189 10.446 293 HD12 LEU 40 2HD1 LEU 40 13.107 3.523 9.344 294 HD13 LEU 40 3HD1 LEU 40 13.287 1.850 8.775 295 HD21 LEU 40 3HD2 LEU 40 10.191 3.240 7.165 296 HD22 LEU 40 1HD2 LEU 40 11.612 2.222 6.827 297 HD23 LEU 40 2HD2 LEU 40 11.799 3.923 7.353 298 H LEU 41 H LEU 41 7.884 -0.291 6.762 299 HA LEU 41 HA LEU 41 6.787 -2.462 8.045 300 HB2 LEU 41 1HB LEU 41 7.768 -2.070 5.217 301 HB3 LEU 41 2HB LEU 41 7.129 -3.620 5.663 302 HG LEU 41 HG LEU 41 5.547 -2.171 4.526 303 HD11 LEU 41 1HD1 LEU 41 4.766 -4.034 5.971 304 HD12 LEU 41 2HD1 LEU 41 3.604 -2.695 5.948 305 HD13 LEU 41 3HD1 LEU 41 4.662 -2.913 7.351 306 HD21 LEU 41 3HD2 LEU 41 6.095 0.011 5.498 307 HD22 LEU 41 1HD2 LEU 41 5.355 -0.516 7.033 308 HD23 LEU 41 2HD2 LEU 41 4.367 -0.373 5.566 309 HA PRO 42 HA PRO 42 10.068 -5.221 9.040 310 HB2 PRO 42 1HB PRO 42 8.856 -7.696 8.924 311 HB3 PRO 42 2HB PRO 42 8.598 -6.484 10.216 312 HG2 PRO 42 1HG PRO 42 6.873 -7.048 7.799 313 HG3 PRO 42 2HG PRO 42 6.356 -6.767 9.491 314 HD2 PRO 42 1HD PRO 42 6.314 -4.828 7.564 315 HD3 PRO 42 2HD PRO 42 6.642 -4.412 9.259 316 H LEU 43 H LEU 43 11.371 -7.090 8.274 317 HA LEU 43 HA LEU 43 11.362 -7.587 5.369 318 HB2 LEU 43 1HB LEU 43 13.346 -6.925 4.814 319 HB3 LEU 43 2HB LEU 43 12.339 -5.603 5.359 320 HG LEU 43 HG LEU 43 13.588 -5.247 7.352 321 HD11 LEU 43 1HD1 LEU 43 13.666 -7.495 8.007 322 HD12 LEU 43 2HD1 LEU 43 15.396 -7.027 7.896 323 HD13 LEU 43 3HD1 LEU 43 14.560 -7.977 6.584 324 HD21 LEU 43 3HD2 LEU 43 15.418 -6.115 5.092 325 HD22 LEU 43 1HD2 LEU 43 15.896 -5.028 6.431 326 HD23 LEU 43 2HD2 LEU 43 14.657 -4.514 5.251 327 H ASN 44 H ASN 44 12.810 -9.169 4.541 328 HA ASN 44 HA ASN 44 13.241 -11.318 6.566 329 HB2 ASN 44 1HB ASN 44 11.339 -11.804 4.942 330 HB3 ASN 44 2HB ASN 44 12.535 -11.827 3.649 331 HD21 ASN 44 1HD2 ASN 44 13.797 -13.823 3.454 332 HD22 ASN 44 2HD2 ASN 44 13.559 -15.132 4.574 333 H GLU 45 H GLU 45 15.320 -10.979 6.905 334 HA GLU 45 HA GLU 45 17.182 -9.933 5.014 335 HB2 GLU 45 1HB GLU 45 18.898 -10.784 6.710 336 HB3 GLU 45 2HB GLU 45 17.726 -9.588 7.240 337 HG2 GLU 45 1HG GLU 45 17.073 -12.501 7.686 338 HG3 GLU 45 2HG GLU 45 18.285 -11.730 8.689 339 H SER 46 H SER 46 15.916 -13.081 5.130 340 HA SER 46 HA SER 46 18.249 -14.235 3.696 341 HB2 SER 46 1HB SER 46 15.740 -15.538 4.791 342 HB3 SER 46 2HB SER 46 17.132 -16.364 4.048 343 HG SER 46 HG SER 46 18.100 -16.281 5.855 344 H GLU 47 H GLU 47 15.787 -12.312 2.794 345 HA GLU 47 HA GLU 47 15.334 -13.741 0.228 346 HB2 GLU 47 1HB GLU 47 13.354 -13.383 1.952 347 HB3 GLU 47 2HB GLU 47 13.369 -11.740 1.340 348 HG2 GLU 47 1HG GLU 47 11.762 -13.064 0.143 349 HG3 GLU 47 2HG GLU 47 13.096 -12.677 -0.958 350 H LEU 48 H LEU 48 17.448 -11.929 1.132 351 HA LEU 48 HA LEU 48 17.095 -9.628 -0.729 352 HB2 LEU 48 1HB LEU 48 19.194 -9.773 1.435 353 HB3 LEU 48 2HB LEU 48 18.565 -8.368 0.583 354 HG LEU 48 HG LEU 48 17.132 -9.966 2.735 355 HD11 LEU 48 1HD1 LEU 48 18.988 -8.624 3.594 356 HD12 LEU 48 2HD1 LEU 48 17.433 -7.898 4.078 357 HD13 LEU 48 3HD1 LEU 48 18.357 -7.195 2.740 358 HD21 LEU 48 3HD2 LEU 48 15.433 -8.173 2.708 359 HD22 LEU 48 1HD2 LEU 48 15.469 -9.029 1.177 360 HD23 LEU 48 2HD2 LEU 48 16.259 -7.435 1.293 361 H GLU 49 H GLU 49 18.814 -9.323 -2.219 362 HA GLU 49 HA GLU 49 20.810 -11.570 -2.415 363 HB2 GLU 49 1HB GLU 49 19.480 -9.996 -4.648 364 HB3 GLU 49 2HB GLU 49 20.791 -11.135 -4.868 365 HG2 GLU 49 1HG GLU 49 18.222 -12.024 -3.515 366 HG3 GLU 49 2HG GLU 49 18.303 -11.855 -5.272 367 H GLU 50 H GLU 50 22.632 -10.736 -1.585 368 HA GLU 50 HA GLU 50 23.278 -7.879 -1.985 369 HB2 GLU 50 1HB GLU 50 24.583 -8.056 -0.032 370 HB3 GLU 50 2HB GLU 50 23.064 -8.892 0.278 371 HG2 GLU 50 1HG GLU 50 24.352 -11.086 -0.258 372 HG3 GLU 50 2HG GLU 50 25.792 -10.098 -0.018 373 H GLN 51 H GLN 51 25.419 -7.208 -2.533 374 HA GLN 51 HA GLN 51 27.233 -9.221 -3.638 375 HB2 GLN 51 1HB GLN 51 26.601 -6.819 -5.335 376 HB3 GLN 51 2HB GLN 51 27.443 -8.283 -5.774 377 HG2 GLN 51 1HG GLN 51 25.328 -9.526 -5.853 378 HG3 GLN 51 2HG GLN 51 24.450 -8.102 -5.264 379 HE21 GLN 51 1HE2 GLN 51 23.108 -8.096 -7.170 380 HE22 GLN 51 2HE2 GLN 51 23.757 -7.533 -8.707 381 H PHE 52 H PHE 52 29.259 -8.047 -4.303 382 HA PHE 52 HA PHE 52 29.924 -5.795 -2.460 383 HB2 PHE 52 1HB PHE 52 31.817 -7.994 -3.400 384 HB3 PHE 52 2HB PHE 52 32.050 -6.843 -2.090 385 HD1 PHE 52 1HD PHE 52 30.342 -9.985 -3.146 386 HD2 PHE 52 2HD PHE 52 30.963 -7.215 0.114 387 HE1 PHE 52 1HE PHE 52 29.165 -11.526 -1.618 388 HE2 PHE 52 2HE PHE 52 29.851 -8.808 1.651 389 HZ PHE 52 HZ PHE 52 28.861 -10.924 0.763 390 H VAL 53 H VAL 53 30.828 -3.987 -3.546 391 HA VAL 53 HA VAL 53 30.963 -4.216 -6.452 392 HB VAL 53 HB VAL 53 31.431 -1.870 -4.564 393 HG11 VAL 53 1HG1 VAL 53 30.995 -1.899 -7.592 394 HG12 VAL 53 2HG1 VAL 53 31.114 -0.453 -6.560 395 HG13 VAL 53 3HG1 VAL 53 32.517 -1.507 -6.767 396 HG21 VAL 53 3HG2 VAL 53 28.988 -2.663 -6.237 397 HG22 VAL 53 1HG2 VAL 53 29.083 -2.707 -4.470 398 HG23 VAL 53 2HG2 VAL 53 29.153 -1.158 -5.309 399 H LYS 54 H LYS 54 32.730 -4.238 -7.663 400 HA LYS 54 HA LYS 54 35.445 -4.091 -6.534 401 HB2 LYS 54 1HB LYS 54 34.257 -6.385 -8.147 402 HB3 LYS 54 2HB LYS 54 35.987 -6.162 -7.858 403 HG2 LYS 54 1HG LYS 54 35.693 -6.380 -5.451 404 HG3 LYS 54 2HG LYS 54 33.937 -6.487 -5.597 405 HD2 LYS 54 1HD LYS 54 35.870 -8.461 -6.833 406 HD3 LYS 54 2HD LYS 54 35.118 -8.674 -5.257 407 HE2 LYS 54 1HE LYS 54 33.611 -8.432 -7.907 408 HE3 LYS 54 2HE LYS 54 33.960 -9.944 -7.064 409 HZ1 LYS 54 3HZ LYS 54 32.222 -7.764 -6.029 410 HZ2 LYS 54 1HZ LYS 54 32.616 -9.130 -5.207 411 HZ3 LYS 54 2HZ LYS 54 31.738 -9.215 -6.592 412 H GLY 55 H GLY 55 36.976 -3.729 -8.437 413 HA2 GLY 55 1HA GLY 55 37.511 -2.782 -10.476 414 HA3 GLY 55 2HA GLY 55 35.928 -3.312 -11.089 415 H HIS 56 H HIS 56 35.568 -1.297 -12.175 416 HA HIS 56 HA HIS 56 34.705 0.926 -10.458 417 HB2 HIS 56 1HB HIS 56 35.761 2.524 -11.981 418 HB3 HIS 56 2HB HIS 56 36.984 1.485 -11.255 419 HD1 HIS 56 1HD HIS 56 38.434 0.002 -12.986 420 HD2 HIS 56 2HD HIS 56 35.193 2.129 -14.656 421 HE1 HIS 56 1HE HIS 56 38.653 -0.182 -15.524 422 H GLY 57 H GLY 57 33.256 2.429 -11.894 423 HA2 GLY 57 1HA GLY 57 32.232 1.785 -14.353 424 HA3 GLY 57 2HA GLY 57 31.286 0.819 -13.196 425 HA PRO 58 HA PRO 58 29.834 5.313 -13.307 426 HB2 PRO 58 1HB PRO 58 27.429 5.089 -14.609 427 HB3 PRO 58 2HB PRO 58 28.992 5.243 -15.463 428 HG2 PRO 58 1HG PRO 58 27.461 2.697 -14.835 429 HG3 PRO 58 2HG PRO 58 28.148 3.215 -16.407 430 HD2 PRO 58 1HD PRO 58 29.475 1.509 -14.732 431 HD3 PRO 58 2HD PRO 58 30.347 2.725 -15.714 432 H GLY 59 H GLY 59 27.681 6.178 -12.425 433 HA2 GLY 59 1HA GLY 59 25.937 6.126 -10.900 434 HA3 GLY 59 2HA GLY 59 26.151 4.389 -10.681 435 H GLY 60 H GLY 60 28.822 6.760 -10.417 436 HA2 GLY 60 1HA GLY 60 28.814 7.248 -7.642 437 HA3 GLY 60 2HA GLY 60 29.941 5.922 -8.052 438 H GLN 61 H GLN 61 30.900 8.471 -7.171 439 HA GLN 61 HA GLN 61 32.540 9.176 -9.473 440 HB2 GLN 61 1HB GLN 61 32.053 11.605 -9.411 441 HB3 GLN 61 2HB GLN 61 30.773 10.588 -10.043 442 HG2 GLN 61 1HG GLN 61 29.738 10.799 -7.607 443 HG3 GLN 61 2HG GLN 61 30.795 12.212 -7.504 444 HE21 GLN 61 1HE2 GLN 61 30.561 13.807 -9.442 445 HE22 GLN 61 2HE2 GLN 61 28.997 14.027 -10.142 446 H ALA 62 H ALA 62 31.768 10.802 -6.309 447 HA ALA 62 HA ALA 62 34.434 11.400 -5.720 448 HB1 ALA 62 1HB ALA 62 32.136 10.863 -3.773 449 HB2 ALA 62 2HB ALA 62 33.639 11.749 -3.417 450 HB3 ALA 62 3HB ALA 62 32.486 12.416 -4.589 451 H THR 63 H THR 63 32.735 8.318 -5.188 452 HA THR 63 HA THR 63 34.684 7.168 -3.402 453 HB THR 63 HB THR 63 33.228 5.116 -3.972 454 HG1 THR 63 1HG THR 63 32.415 5.645 -5.923 455 HG21 THR 63 3HG2 THR 63 31.322 5.891 -2.711 456 HG22 THR 63 1HG2 THR 63 31.725 7.588 -3.015 457 HG23 THR 63 2HG2 THR 63 32.787 6.585 -2.011 458 H ASN 64 H ASN 64 36.246 8.091 -5.273 459 HA ASN 64 HA ASN 64 36.862 7.018 -7.647 460 HB2 ASN 64 1HB ASN 64 38.000 8.892 -6.473 461 HB3 ASN 64 2HB ASN 64 38.886 7.723 -5.495 462 HD21 ASN 64 1HD2 ASN 64 38.295 8.653 -8.952 463 HD22 ASN 64 2HD2 ASN 64 39.896 8.208 -9.477 464 H LYS 65 H LYS 65 37.030 4.901 -4.931 465 HA LYS 65 HA LYS 65 38.667 2.999 -6.578 466 HB2 LYS 65 1HB LYS 65 38.655 3.148 -3.541 467 HB3 LYS 65 2HB LYS 65 39.564 2.011 -4.525 468 HG2 LYS 65 1HG LYS 65 40.003 5.026 -4.421 469 HG3 LYS 65 2HG LYS 65 40.998 3.793 -3.648 470 HD2 LYS 65 1HD LYS 65 41.658 2.891 -5.855 471 HD3 LYS 65 2HD LYS 65 40.615 4.067 -6.656 472 HE2 LYS 65 1HE LYS 65 42.069 5.755 -5.097 473 HE3 LYS 65 2HE LYS 65 43.264 4.469 -5.336 474 HZ1 LYS 65 3HZ LYS 65 42.806 4.762 -7.772 475 HZ2 LYS 65 1HZ LYS 65 43.435 6.121 -7.061 476 HZ3 LYS 65 2HZ LYS 65 41.838 6.047 -7.387 477 H THR 66 H THR 66 35.653 3.449 -5.049 478 HA THR 66 HA THR 66 33.935 2.190 -4.448 479 HB THR 66 HB THR 66 33.478 0.467 -6.491 480 HG1 THR 66 1HG THR 66 35.286 0.695 -7.715 481 HG21 THR 66 3HG2 THR 66 32.393 2.342 -7.619 482 HG22 THR 66 1HG2 THR 66 33.338 3.498 -6.669 483 HG23 THR 66 2HG2 THR 66 32.140 2.454 -5.873 484 H SER 67 H SER 67 36.743 0.333 -4.169 485 HA SER 67 HA SER 67 36.034 -2.239 -3.859 486 HB2 SER 67 1HB SER 67 38.120 -2.185 -2.320 487 HB3 SER 67 2HB SER 67 38.260 -1.636 -3.995 488 HG SER 67 HG SER 67 39.211 -0.269 -2.320 489 H ASN 68 H ASN 68 34.414 -0.136 -1.878 490 HA ASN 68 HA ASN 68 34.070 -2.292 0.138 491 HB2 ASN 68 1HB ASN 68 34.063 -0.829 2.015 492 HB3 ASN 68 2HB ASN 68 35.596 -0.647 1.173 493 HD21 ASN 68 1HD2 ASN 68 36.188 1.476 0.573 494 HD22 ASN 68 2HD2 ASN 68 35.072 2.836 0.732 495 H CYS 69 H CYS 69 32.556 -0.262 -2.127 496 HA CYS 69 HA CYS 69 30.176 0.310 -0.647 497 HB2 CYS 69 1HB CYS 69 30.506 -0.040 -3.662 498 HB3 CYS 69 2HB CYS 69 29.198 0.805 -2.819 499 HG CYS 69 HG CYS 69 30.436 2.724 -3.728 500 H VAL 70 H VAL 70 28.283 -0.804 -0.493 501 HA VAL 70 HA VAL 70 28.263 -3.655 -1.387 502 HB VAL 70 HB VAL 70 27.099 -2.322 1.102 503 HG11 VAL 70 1HG1 VAL 70 25.518 -4.033 0.314 504 HG12 VAL 70 2HG1 VAL 70 26.836 -5.216 0.156 505 HG13 VAL 70 3HG1 VAL 70 26.360 -4.607 1.758 506 HG21 VAL 70 3HG2 VAL 70 28.592 -3.905 2.311 507 HG22 VAL 70 1HG2 VAL 70 29.235 -4.480 0.759 508 HG23 VAL 70 2HG2 VAL 70 29.521 -2.811 1.276 509 H VAL 71 H VAL 71 26.501 -4.263 -2.578 510 HA VAL 71 HA VAL 71 24.391 -2.246 -3.049 511 HB VAL 71 HB VAL 71 25.909 -2.266 -4.953 512 HG11 VAL 71 1HG1 VAL 71 25.177 -5.170 -5.349 513 HG12 VAL 71 2HG1 VAL 71 26.168 -4.176 -6.432 514 HG13 VAL 71 3HG1 VAL 71 26.777 -4.570 -4.818 515 HG21 VAL 71 3HG2 VAL 71 24.253 -2.677 -6.729 516 HG22 VAL 71 1HG2 VAL 71 23.216 -3.546 -5.580 517 HG23 VAL 71 2HG2 VAL 71 23.539 -1.815 -5.365 518 H LEU 72 H LEU 72 22.403 -3.039 -2.682 519 HA LEU 72 HA LEU 72 22.081 -5.973 -2.232 520 HB2 LEU 72 1HB LEU 72 22.693 -4.852 -0.086 521 HB3 LEU 72 2HB LEU 72 21.432 -3.672 -0.357 522 HG LEU 72 HG LEU 72 19.714 -5.567 -0.154 523 HD11 LEU 72 1HD1 LEU 72 21.195 -7.480 -0.592 524 HD12 LEU 72 2HD1 LEU 72 20.575 -7.595 1.064 525 HD13 LEU 72 3HD1 LEU 72 22.213 -7.002 0.788 526 HD21 LEU 72 3HD2 LEU 72 21.559 -4.964 2.189 527 HD22 LEU 72 1HD2 LEU 72 19.925 -5.665 2.302 528 HD23 LEU 72 2HD2 LEU 72 20.126 -4.036 1.697 529 H LYS 73 H LYS 73 19.896 -6.693 -2.458 530 HA LYS 73 HA LYS 73 17.929 -4.644 -3.191 531 HB2 LYS 73 1HB LYS 73 17.332 -5.610 -5.259 532 HB3 LYS 73 2HB LYS 73 19.084 -5.447 -5.273 533 HG2 LYS 73 1HG LYS 73 18.885 -7.520 -6.208 534 HG3 LYS 73 2HG LYS 73 19.059 -7.918 -4.500 535 HD2 LYS 73 1HD LYS 73 17.365 -9.342 -5.173 536 HD3 LYS 73 2HD LYS 73 16.478 -8.058 -4.440 537 HE2 LYS 73 1HE LYS 73 16.645 -8.896 -7.294 538 HE3 LYS 73 2HE LYS 73 15.229 -8.573 -6.316 539 HZ1 LYS 73 3HZ LYS 73 15.385 -6.925 -7.892 540 HZ2 LYS 73 1HZ LYS 73 16.959 -6.697 -7.731 541 HZ3 LYS 73 2HZ LYS 73 15.895 -6.140 -6.552 542 H HIS 74 H HIS 74 15.830 -5.318 -3.082 543 HA HIS 74 HA HIS 74 15.312 -7.513 -1.093 544 HB2 HIS 74 1HB HIS 74 14.359 -4.966 -1.043 545 HB3 HIS 74 2HB HIS 74 13.151 -5.637 -2.096 546 HD1 HIS 74 1HD HIS 74 11.171 -7.032 -0.726 547 HD2 HIS 74 2HD HIS 74 14.611 -5.910 1.469 548 HE1 HIS 74 1HE HIS 74 10.681 -7.545 1.684 549 H VAL 75 H VAL 75 14.525 -9.517 -2.039 550 HA VAL 75 HA VAL 75 14.229 -9.572 -4.882 551 HB VAL 75 HB VAL 75 13.677 -11.629 -2.761 552 HG11 VAL 75 1HG1 VAL 75 12.160 -12.116 -4.624 553 HG12 VAL 75 2HG1 VAL 75 13.516 -11.941 -5.779 554 HG13 VAL 75 3HG1 VAL 75 13.497 -13.252 -4.575 555 HG21 VAL 75 3HG2 VAL 75 15.836 -11.360 -4.882 556 HG22 VAL 75 1HG2 VAL 75 16.052 -11.014 -3.150 557 HG23 VAL 75 2HG2 VAL 75 15.698 -12.661 -3.686 558 HA PRO 76 HA PRO 76 9.535 -10.044 -4.407 559 HB2 PRO 76 1HB PRO 76 8.248 -9.403 -2.069 560 HB3 PRO 76 2HB PRO 76 8.880 -11.033 -2.460 561 HG2 PRO 76 1HG PRO 76 10.321 -8.808 -0.971 562 HG3 PRO 76 2HG PRO 76 9.997 -10.478 -0.358 563 HD2 PRO 76 1HD PRO 76 12.335 -9.925 -1.467 564 HD3 PRO 76 2HD PRO 76 11.470 -11.381 -2.054 565 H SER 77 H SER 77 11.243 -7.295 -3.124 566 HA SER 77 HA SER 77 9.024 -5.491 -4.054 567 HB2 SER 77 1HB SER 77 10.951 -5.281 -1.854 568 HB3 SER 77 2HB SER 77 10.936 -3.844 -2.876 569 HG SER 77 HG SER 77 8.773 -3.601 -2.501 570 H GLY 78 H GLY 78 12.009 -6.784 -5.014 571 HA2 GLY 78 1HA GLY 78 13.248 -6.498 -6.902 572 HA3 GLY 78 2HA GLY 78 12.033 -5.386 -7.503 573 H ILE 79 H ILE 79 12.686 -3.726 -4.871 574 HA ILE 79 HA ILE 79 14.262 -1.750 -6.022 575 HB ILE 79 HB ILE 79 13.921 -2.307 -3.062 576 HG12 ILE 79 1HG1 ILE 79 12.164 -0.610 -4.900 577 HG13 ILE 79 2HG1 ILE 79 11.733 -2.188 -4.242 578 HG21 ILE 79 1HG2 ILE 79 15.690 -0.613 -3.535 579 HG22 ILE 79 2HG2 ILE 79 14.532 0.312 -4.521 580 HG23 ILE 79 3HG2 ILE 79 14.298 0.122 -2.773 581 HD11 ILE 79 3HD1 ILE 79 12.041 -1.180 -1.909 582 HD12 ILE 79 1HD1 ILE 79 11.996 0.399 -2.742 583 HD13 ILE 79 2HD1 ILE 79 10.629 -0.705 -2.867 584 H VAL 80 H VAL 80 16.390 -1.313 -6.235 585 HA VAL 80 HA VAL 80 18.408 -3.046 -4.923 586 HB VAL 80 HB VAL 80 18.601 -1.761 -7.692 587 HG11 VAL 80 1HG1 VAL 80 20.792 -2.089 -6.653 588 HG12 VAL 80 2HG1 VAL 80 20.392 -3.764 -6.230 589 HG13 VAL 80 3HG1 VAL 80 20.579 -3.285 -7.927 590 HG21 VAL 80 3HG2 VAL 80 18.136 -4.694 -7.127 591 HG22 VAL 80 1HG2 VAL 80 16.955 -3.573 -7.846 592 HG23 VAL 80 2HG2 VAL 80 18.455 -3.954 -8.691 593 H VAL 81 H VAL 81 20.062 -1.840 -3.980 594 HA VAL 81 HA VAL 81 20.336 1.034 -4.655 595 HB VAL 81 HB VAL 81 18.509 0.875 -2.966 596 HG11 VAL 81 1HG1 VAL 81 19.188 0.286 -0.587 597 HG12 VAL 81 2HG1 VAL 81 19.095 -1.074 -1.718 598 HG13 VAL 81 3HG1 VAL 81 20.677 -0.416 -1.292 599 HG21 VAL 81 3HG2 VAL 81 20.976 2.239 -1.838 600 HG22 VAL 81 1HG2 VAL 81 19.838 2.911 -3.034 601 HG23 VAL 81 2HG2 VAL 81 19.289 2.544 -1.394 602 H LYS 82 H LYS 82 22.299 1.975 -3.773 603 HA LYS 82 HA LYS 82 24.445 0.014 -3.059 604 HB2 LYS 82 1HB LYS 82 24.503 2.622 -4.647 605 HB3 LYS 82 2HB LYS 82 25.940 1.800 -4.055 606 HG2 LYS 82 1HG LYS 82 25.660 -0.023 -5.591 607 HG3 LYS 82 2HG LYS 82 24.081 0.607 -6.138 608 HD2 LYS 82 1HD LYS 82 25.101 2.630 -6.987 609 HD3 LYS 82 2HD LYS 82 26.665 2.236 -6.270 610 HE2 LYS 82 1HE LYS 82 27.064 0.468 -7.841 611 HE3 LYS 82 2HE LYS 82 25.398 0.550 -8.454 612 HZ1 LYS 82 3HZ LYS 82 25.782 2.616 -9.393 613 HZ2 LYS 82 1HZ LYS 82 27.084 1.746 -9.872 614 HZ3 LYS 82 2HZ LYS 82 27.231 2.861 -8.672 615 H CYS 83 H CYS 83 25.448 0.471 -1.146 616 HA CYS 83 HA CYS 83 25.538 3.279 -0.185 617 HB2 CYS 83 1HB CYS 83 24.091 1.085 1.232 618 HB3 CYS 83 2HB CYS 83 25.187 2.034 2.231 619 HG CYS 83 HG CYS 83 24.304 4.394 1.680 620 H HIS 84 H HIS 84 27.096 3.762 1.326 621 HA HIS 84 HA HIS 84 29.190 1.928 2.086 622 HB2 HIS 84 1HB HIS 84 30.951 3.418 1.078 623 HB3 HIS 84 2HB HIS 84 30.042 2.479 -0.091 624 HD1 HIS 84 1HD HIS 84 30.292 6.230 1.093 625 HD2 HIS 84 2HD HIS 84 28.593 3.713 -1.860 626 HE1 HIS 84 1HE HIS 84 29.375 7.741 -0.690 627 H GLN 85 H GLN 85 30.599 3.057 3.610 628 HA GLN 85 HA GLN 85 30.079 5.755 4.481 629 HB2 GLN 85 1HB GLN 85 28.169 4.502 5.569 630 HB3 GLN 85 2HB GLN 85 29.373 3.530 6.440 631 HG2 GLN 85 1HG GLN 85 30.273 5.683 7.420 632 HG3 GLN 85 2HG GLN 85 28.965 6.541 6.614 633 HE21 GLN 85 1HE2 GLN 85 29.686 6.018 9.572 634 HE22 GLN 85 2HE2 GLN 85 28.215 5.417 10.295 635 H THR 86 H THR 86 31.380 2.499 5.580 636 HA THR 86 HA THR 86 33.977 3.902 5.929 637 HB THR 86 HB THR 86 34.329 3.284 8.049 638 HG1 THR 86 1HG THR 86 33.471 1.543 9.109 639 HG21 THR 86 3HG2 THR 86 32.302 4.697 8.176 640 HG22 THR 86 1HG2 THR 86 32.435 3.561 9.523 641 HG23 THR 86 2HG2 THR 86 31.284 3.231 8.215 642 H ARG 87 H ARG 87 35.664 2.078 6.528 643 HA ARG 87 HA ARG 87 35.954 0.529 4.112 644 HB2 ARG 87 1HB ARG 87 38.081 -0.028 4.916 645 HB3 ARG 87 2HB ARG 87 37.821 1.583 5.540 646 HG2 ARG 87 1HG ARG 87 37.741 -1.055 7.085 647 HG3 ARG 87 2HG ARG 87 38.944 0.220 7.170 648 HD2 ARG 87 1HD ARG 87 37.033 1.742 8.036 649 HD3 ARG 87 2HD ARG 87 36.125 0.249 8.299 650 HE ARG 87 HE ARG 87 38.704 1.051 9.562 651 HH11 ARG 87 1HH1 ARG 87 35.867 -1.233 9.805 652 HH12 ARG 87 2HH1 ARG 87 36.051 -1.368 11.491 653 HH21 ARG 87 1HH2 ARG 87 38.867 0.698 11.847 654 HH22 ARG 87 2HH2 ARG 87 37.680 -0.288 12.619 655 H SER 88 H SER 88 34.216 -0.110 6.987 656 HA SER 88 HA SER 88 34.727 -2.980 7.020 657 HB2 SER 88 1HB SER 88 33.525 -0.904 8.751 658 HB3 SER 88 2HB SER 88 32.586 -2.385 8.704 659 HG SER 88 HG SER 88 34.157 -3.520 9.420 660 H VAL 89 H VAL 89 33.803 -4.267 5.584 661 HA VAL 89 HA VAL 89 31.471 -3.630 4.081 662 HB VAL 89 HB VAL 89 33.127 -5.189 3.260 663 HG11 VAL 89 1HG1 VAL 89 32.337 -7.126 5.483 664 HG12 VAL 89 2HG1 VAL 89 33.436 -7.455 4.136 665 HG13 VAL 89 3HG1 VAL 89 33.886 -6.268 5.356 666 HG21 VAL 89 3HG2 VAL 89 31.696 -6.990 2.455 667 HG22 VAL 89 1HG2 VAL 89 30.498 -6.665 3.724 668 HG23 VAL 89 2HG2 VAL 89 30.810 -5.456 2.458 669 H ASP 90 H ASP 90 32.038 -5.180 7.213 670 HA ASP 90 HA ASP 90 29.506 -6.299 7.731 671 HB2 ASP 90 1HB ASP 90 30.242 -6.186 10.095 672 HB3 ASP 90 2HB ASP 90 31.504 -6.833 9.031 673 H GLN 91 H GLN 91 30.742 -2.950 8.124 674 HA GLN 91 HA GLN 91 28.309 -2.053 9.477 675 HB2 GLN 91 1HB GLN 91 30.929 -0.887 8.771 676 HB3 GLN 91 2HB GLN 91 29.619 0.198 8.348 677 HG2 GLN 91 1HG GLN 91 29.894 -1.076 11.089 678 HG3 GLN 91 2HG GLN 91 30.547 0.495 10.639 679 HE21 GLN 91 1HE2 GLN 91 29.096 2.325 10.322 680 HE22 GLN 91 2HE2 GLN 91 27.376 2.162 10.670 681 H ASN 92 H ASN 92 29.799 -1.602 6.232 682 HA ASN 92 HA ASN 92 27.685 -0.183 5.059 683 HB2 ASN 92 1HB ASN 92 29.655 -2.060 3.739 684 HB3 ASN 92 2HB ASN 92 28.552 -0.974 2.880 685 HD21 ASN 92 1HD2 ASN 92 31.295 -0.643 2.392 686 HD22 ASN 92 2HD2 ASN 92 31.937 0.686 3.315 687 H ARG 93 H ARG 93 27.940 -3.669 5.624 688 HA ARG 93 HA ARG 93 25.716 -4.590 4.126 689 HB2 ARG 93 1HB ARG 93 27.236 -5.522 6.571 690 HB3 ARG 93 2HB ARG 93 25.620 -6.166 6.352 691 HG2 ARG 93 1HG ARG 93 26.178 -7.074 4.188 692 HG3 ARG 93 2HG ARG 93 27.827 -6.438 4.293 693 HD2 ARG 93 1HD ARG 93 28.423 -7.919 6.026 694 HD3 ARG 93 2HD ARG 93 26.761 -8.145 6.558 695 HE ARG 93 HE ARG 93 27.767 -9.197 3.963 696 HH11 ARG 93 1HH1 ARG 93 25.591 -9.689 6.783 697 HH12 ARG 93 2HH1 ARG 93 25.141 -11.272 6.238 698 HH21 ARG 93 1HH2 ARG 93 27.049 -11.198 3.293 699 HH22 ARG 93 2HH2 ARG 93 25.808 -12.023 4.157 700 H LYS 94 H LYS 94 25.789 -3.763 7.695 701 HA LYS 94 HA LYS 94 22.947 -3.867 7.804 702 HB2 LYS 94 1HB LYS 94 23.061 -2.925 9.985 703 HB3 LYS 94 2HB LYS 94 24.164 -4.262 9.766 704 HG2 LYS 94 1HG LYS 94 26.089 -2.845 9.760 705 HG3 LYS 94 2HG LYS 94 25.111 -1.367 9.683 706 HD2 LYS 94 1HD LYS 94 24.808 -3.364 11.959 707 HD3 LYS 94 2HD LYS 94 26.043 -2.104 12.006 708 HE2 LYS 94 1HE LYS 94 24.481 -0.352 12.022 709 HE3 LYS 94 2HE LYS 94 23.178 -1.364 11.385 710 HZ1 LYS 94 3HZ LYS 94 22.947 -0.888 13.774 711 HZ2 LYS 94 1HZ LYS 94 24.331 -1.728 14.081 712 HZ3 LYS 94 2HZ LYS 94 23.017 -2.494 13.444 713 H ILE 95 H ILE 95 25.096 -1.111 7.128 714 HA ILE 95 HA ILE 95 23.125 0.928 7.369 715 HB ILE 95 HB ILE 95 25.579 0.678 5.585 716 HG12 ILE 95 1HG1 ILE 95 25.296 2.477 8.018 717 HG13 ILE 95 2HG1 ILE 95 25.738 0.789 8.238 718 HG21 ILE 95 1HG2 ILE 95 24.034 2.358 4.594 719 HG22 ILE 95 2HG2 ILE 95 23.946 3.187 6.168 720 HG23 ILE 95 3HG2 ILE 95 25.458 3.138 5.255 721 HD11 ILE 95 3HD1 ILE 95 27.711 2.324 8.097 722 HD12 ILE 95 1HD1 ILE 95 27.736 1.063 6.865 723 HD13 ILE 95 2HD1 ILE 95 27.251 2.693 6.433 724 H ALA 96 H ALA 96 24.137 -1.054 4.498 725 HA ALA 96 HA ALA 96 22.167 0.012 2.780 726 HB1 ALA 96 1HB ALA 96 22.751 -1.732 1.246 727 HB2 ALA 96 2HB ALA 96 24.228 -1.251 2.074 728 HB3 ALA 96 3HB ALA 96 23.406 -2.757 2.555 729 H ARG 97 H ARG 97 22.173 -2.990 4.783 730 HA ARG 97 HA ARG 97 19.624 -3.928 4.070 731 HB2 ARG 97 1HB ARG 97 21.225 -4.218 6.625 732 HB3 ARG 97 2HB ARG 97 19.670 -5.006 6.384 733 HG2 ARG 97 1HG ARG 97 20.439 -6.230 4.469 734 HG3 ARG 97 2HG ARG 97 21.988 -5.379 4.467 735 HD2 ARG 97 1HD ARG 97 22.516 -6.374 6.686 736 HD3 ARG 97 2HD ARG 97 20.967 -7.245 6.628 737 HE ARG 97 HE ARG 97 22.933 -7.538 4.407 738 HH11 ARG 97 1HH1 ARG 97 21.400 -9.081 7.214 739 HH12 ARG 97 2HH1 ARG 97 21.787 -10.697 6.737 740 HH21 ARG 97 1HH2 ARG 97 23.536 -9.725 3.778 741 HH22 ARG 97 2HH2 ARG 97 23.032 -11.030 4.753 742 H LYS 98 H LYS 98 20.392 -1.418 6.588 743 HA LYS 98 HA LYS 98 17.579 -1.401 7.296 744 HB2 LYS 98 1HB LYS 98 17.971 0.165 8.889 745 HB3 LYS 98 2HB LYS 98 19.376 -0.875 8.905 746 HG2 LYS 98 1HG LYS 98 20.104 1.309 9.328 747 HG3 LYS 98 2HG LYS 98 20.662 0.939 7.710 748 HD2 LYS 98 1HD LYS 98 19.403 2.627 6.779 749 HD3 LYS 98 2HD LYS 98 17.992 2.267 7.774 750 HE2 LYS 98 1HE LYS 98 18.774 4.484 8.189 751 HE3 LYS 98 2HE LYS 98 18.933 3.493 9.636 752 HZ1 LYS 98 3HZ LYS 98 21.293 3.352 9.248 753 HZ2 LYS 98 1HZ LYS 98 20.835 4.929 9.151 754 HZ3 LYS 98 2HZ LYS 98 21.168 4.090 7.783 755 H VAL 99 H VAL 99 19.603 0.795 5.177 756 HA VAL 99 HA VAL 99 17.387 2.492 4.766 757 HB VAL 99 HB VAL 99 19.731 3.088 4.325 758 HG11 VAL 99 1HG1 VAL 99 20.465 1.218 2.971 759 HG12 VAL 99 2HG1 VAL 99 19.345 1.673 1.661 760 HG13 VAL 99 3HG1 VAL 99 20.696 2.741 2.114 761 HG21 VAL 99 3HG2 VAL 99 17.859 3.698 2.006 762 HG22 VAL 99 1HG2 VAL 99 17.779 4.470 3.592 763 HG23 VAL 99 2HG2 VAL 99 19.218 4.679 2.595 764 H LEU 100 H LEU 100 18.159 -0.556 3.148 765 HA LEU 100 HA LEU 100 16.358 -0.229 0.967 766 HB2 LEU 100 1HB LEU 100 18.009 -2.021 1.151 767 HB3 LEU 100 2HB LEU 100 17.141 -2.721 2.510 768 HG LEU 100 HG LEU 100 15.290 -3.366 1.050 769 HD11 LEU 100 1HD1 LEU 100 16.842 -1.898 -1.148 770 HD12 LEU 100 2HD1 LEU 100 15.196 -1.543 -0.571 771 HD13 LEU 100 3HD1 LEU 100 15.517 -3.030 -1.456 772 HD21 LEU 100 3HD2 LEU 100 17.443 -4.741 1.202 773 HD22 LEU 100 1HD2 LEU 100 17.922 -4.031 -0.354 774 HD23 LEU 100 2HD2 LEU 100 16.467 -5.037 -0.214 775 H GLN 101 H GLN 101 15.777 -1.149 4.385 776 HA GLN 101 HA GLN 101 13.078 -1.949 4.136 777 HB2 GLN 101 1HB GLN 101 14.803 -2.139 6.092 778 HB3 GLN 101 2HB GLN 101 14.247 -0.519 6.545 779 HG2 GLN 101 1HG GLN 101 11.930 -1.379 6.733 780 HG3 GLN 101 2HG GLN 101 12.505 -2.988 6.261 781 HE21 GLN 101 1HE2 GLN 101 11.173 -2.892 8.558 782 HE22 GLN 101 2HE2 GLN 101 12.200 -3.100 9.956 783 H GLU 102 H GLU 102 14.610 1.237 4.533 784 HA GLU 102 HA GLU 102 12.212 2.769 4.862 785 HB2 GLU 102 1HB GLU 102 14.898 3.796 3.853 786 HB3 GLU 102 2HB GLU 102 13.646 4.668 4.746 787 HG2 GLU 102 1HG GLU 102 14.030 3.078 6.668 788 HG3 GLU 102 2HG GLU 102 15.400 2.425 5.813 789 H LYS 103 H LYS 103 13.589 1.306 2.161 790 HA LYS 103 HA LYS 103 12.084 3.057 0.248 791 HB2 LYS 103 1HB LYS 103 14.094 0.831 -0.329 792 HB3 LYS 103 2HB LYS 103 13.255 1.849 -1.516 793 HG2 LYS 103 1HG LYS 103 14.220 3.873 -0.404 794 HG3 LYS 103 2HG LYS 103 15.206 2.826 0.607 795 HD2 LYS 103 1HD LYS 103 16.379 1.926 -1.305 796 HD3 LYS 103 2HD LYS 103 15.292 2.755 -2.440 797 HE2 LYS 103 1HE LYS 103 17.008 4.217 -0.387 798 HE3 LYS 103 2HE LYS 103 17.571 3.870 -2.026 799 HZ1 LYS 103 3HZ LYS 103 16.582 6.093 -1.739 800 HZ2 LYS 103 1HZ LYS 103 15.108 5.433 -1.479 801 HZ3 LYS 103 2HZ LYS 103 15.850 5.195 -2.920 802 H VAL 104 H VAL 104 12.157 -0.268 1.582 803 HA VAL 104 HA VAL 104 10.067 -1.217 -0.181 804 HB VAL 104 HB VAL 104 11.291 -2.265 2.402 805 HG11 VAL 104 1HG1 VAL 104 10.141 -4.425 1.870 806 HG12 VAL 104 2HG1 VAL 104 9.000 -3.154 2.303 807 HG13 VAL 104 3HG1 VAL 104 9.214 -3.594 0.599 808 HG21 VAL 104 3HG2 VAL 104 11.438 -3.144 -0.536 809 HG22 VAL 104 1HG2 VAL 104 12.725 -2.306 0.346 810 HG23 VAL 104 2HG2 VAL 104 12.255 -3.935 0.822 811 H ASP 105 H ASP 105 10.166 0.474 2.933 812 HA ASP 105 HA ASP 105 7.571 0.305 3.884 813 HB2 ASP 105 1HB ASP 105 9.080 1.441 5.238 814 HB3 ASP 105 2HB ASP 105 9.791 2.317 3.883 815 H VAL 106 H VAL 106 8.759 2.948 1.771 816 HA VAL 106 HA VAL 106 6.170 3.872 1.104 817 HB VAL 106 HB VAL 106 8.156 5.207 0.991 818 HG11 VAL 106 1HG1 VAL 106 9.692 5.159 -0.937 819 HG12 VAL 106 2HG1 VAL 106 9.823 3.741 0.096 820 HG13 VAL 106 3HG1 VAL 106 8.971 3.623 -1.463 821 HG21 VAL 106 3HG2 VAL 106 6.797 5.142 -1.724 822 HG22 VAL 106 1HG2 VAL 106 6.142 5.906 -0.262 823 HG23 VAL 106 2HG2 VAL 106 7.643 6.517 -0.988 824 H PHE 107 H PHE 107 7.918 1.170 -0.209 825 HA PHE 107 HA PHE 107 6.271 0.989 -2.634 826 HB2 PHE 107 1HB PHE 107 8.639 0.193 -2.433 827 HB3 PHE 107 2HB PHE 107 8.081 -1.122 -1.401 828 HD1 PHE 107 1HD PHE 107 6.546 -2.848 -2.301 829 HD2 PHE 107 2HD PHE 107 8.339 0.126 -4.837 830 HE1 PHE 107 1HE PHE 107 5.897 -4.174 -4.346 831 HE2 PHE 107 2HE PHE 107 7.723 -1.198 -6.846 832 HZ PHE 107 HZ PHE 107 6.472 -3.343 -6.587 833 H TYR 108 H TYR 108 5.791 0.185 0.639 834 HA TYR 108 HA TYR 108 3.704 -1.869 0.107 835 HB2 TYR 108 1HB TYR 108 5.226 -0.995 2.538 836 HB3 TYR 108 2HB TYR 108 3.598 -1.601 2.734 837 HD1 TYR 108 1HD TYR 108 6.483 -2.755 0.543 838 HD2 TYR 108 2HD TYR 108 3.672 -3.706 3.652 839 HE1 TYR 108 1HE TYR 108 7.415 -5.048 0.702 840 HE2 TYR 108 2HE TYR 108 4.620 -5.958 3.864 841 HH TYR 108 HH TYR 108 6.467 -7.284 3.298 842 H ASN 109 H ASN 109 4.119 1.438 1.430 843 HA ASN 109 HA ASN 109 1.179 1.691 1.694 844 HB2 ASN 109 1HB ASN 109 1.552 3.826 2.685 845 HB3 ASN 109 2HB ASN 109 2.530 2.596 3.479 846 HD21 ASN 109 1HD2 ASN 109 4.660 3.156 3.886 847 HD22 ASN 109 2HD2 ASN 109 5.470 4.486 3.169 848 H SER 110 H SER 110 3.467 2.320 -0.723 849 HA SER 110 HA SER 110 1.458 3.623 -2.397 850 HB2 SER 110 1HB SER 110 2.896 5.370 -1.145 851 HB3 SER 110 2HB SER 110 4.240 4.826 -2.163 852 HG SER 110 HG SER 110 2.849 6.661 -2.818 853 H GLY 111 H GLY 111 2.990 3.994 -4.645 854 HA2 GLY 111 1HA GLY 111 4.935 2.298 -5.484 855 HA3 GLY 111 2HA GLY 111 3.515 1.227 -5.460 856 HA PRO 112 HA PRO 112 3.553 3.754 -9.443 857 HB2 PRO 112 1HB PRO 112 3.635 1.718 -11.269 858 HB3 PRO 112 2HB PRO 112 5.108 2.425 -10.538 859 HG2 PRO 112 1HG PRO 112 3.671 -0.130 -9.777 860 HG3 PRO 112 2HG PRO 112 5.430 0.150 -9.936 861 HD2 PRO 112 1HD PRO 112 4.077 0.184 -7.519 862 HD3 PRO 112 2HD PRO 112 5.546 1.148 -7.809 863 H SER 113 H SER 113 2.041 0.585 -8.739 864 HA SER 113 HA SER 113 -0.497 1.171 -9.962 865 HB2 SER 113 1HB SER 113 0.140 -1.065 -8.028 866 HB3 SER 113 2HB SER 113 -0.920 -1.111 -9.435 867 HG SER 113 HG SER 113 0.747 -1.582 -10.657 868 H SER 114 H SER 114 -2.532 0.704 -8.487 869 HA SER 114 HA SER 114 -2.298 1.285 -5.679 870 HB2 SER 114 1HB SER 114 -3.969 3.226 -5.900 871 HB3 SER 114 2HB SER 114 -2.263 3.549 -6.196 872 HG SER 114 HG SER 114 -3.645 4.511 -7.705 873 H GLY 115 H GLY 115 -3.867 0.153 -4.694 874 HA2 GLY 115 1HA GLY 115 -6.107 -0.635 -4.457 875 HA3 GLY 115 2HA GLY 115 -6.251 -0.787 -6.216 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -49.165 -41.644 -60.849 2 HA2 GLY 1 1HA GLY 1 -48.229 -43.547 -59.618 3 HA3 GLY 1 2HA GLY 1 -46.631 -43.092 -60.270 4 H SER 2 H SER 2 -47.304 -43.237 -57.373 5 HA SER 2 HA SER 2 -46.706 -40.449 -56.647 6 HB2 SER 2 1HB SER 2 -48.685 -42.238 -55.167 7 HB3 SER 2 2HB SER 2 -48.345 -40.523 -54.883 8 HG SER 2 HG SER 2 -50.251 -40.695 -56.028 9 H SER 3 H SER 3 -45.415 -40.426 -54.618 10 HA SER 3 HA SER 3 -43.717 -42.724 -54.287 11 HB2 SER 3 1HB SER 3 -42.917 -41.120 -52.362 12 HB3 SER 3 2HB SER 3 -42.641 -40.669 -54.051 13 HG SER 3 HG SER 3 -43.553 -38.979 -52.719 14 H GLY 4 H GLY 4 -46.277 -41.123 -52.337 15 HA2 GLY 4 1HA GLY 4 -47.460 -43.338 -51.216 16 HA3 GLY 4 2HA GLY 4 -46.116 -42.930 -50.119 17 H SER 5 H SER 5 -48.721 -42.651 -49.132 18 HA SER 5 HA SER 5 -50.114 -40.355 -49.487 19 HB2 SER 5 1HB SER 5 -49.620 -41.540 -46.743 20 HB3 SER 5 2HB SER 5 -51.107 -40.832 -47.400 21 HG SER 5 HG SER 5 -51.297 -43.066 -47.493 22 H SER 6 H SER 6 -47.177 -40.705 -47.582 23 HA SER 6 HA SER 6 -45.736 -39.395 -46.565 24 HB2 SER 6 1HB SER 6 -46.563 -37.359 -48.648 25 HB3 SER 6 2HB SER 6 -45.015 -37.442 -47.786 26 HG SER 6 HG SER 6 -46.088 -39.221 -49.724 27 H GLY 7 H GLY 7 -48.903 -37.806 -46.590 28 HA2 GLY 7 1HA GLY 7 -48.353 -35.564 -44.990 29 HA3 GLY 7 2HA GLY 7 -49.909 -36.405 -45.107 30 H LYS 8 H LYS 8 -48.558 -35.149 -42.764 31 HA LYS 8 HA LYS 8 -48.915 -37.242 -40.772 32 HB2 LYS 8 1HB LYS 8 -46.335 -35.639 -41.165 33 HB3 LYS 8 2HB LYS 8 -46.764 -36.399 -39.635 34 HG2 LYS 8 1HG LYS 8 -46.695 -38.618 -40.594 35 HG3 LYS 8 2HG LYS 8 -46.427 -37.986 -42.218 36 HD2 LYS 8 1HD LYS 8 -44.504 -37.540 -39.912 37 HD3 LYS 8 2HD LYS 8 -44.367 -38.868 -41.063 38 HE2 LYS 8 1HE LYS 8 -44.320 -35.901 -41.798 39 HE3 LYS 8 2HE LYS 8 -42.893 -36.926 -41.612 40 HZ1 LYS 8 3HZ LYS 8 -45.024 -37.320 -43.650 41 HZ2 LYS 8 1HZ LYS 8 -43.718 -38.288 -43.446 42 HZ3 LYS 8 2HZ LYS 8 -43.532 -36.727 -43.921 43 H TRP 9 H TRP 9 -49.170 -36.059 -38.587 44 HA TRP 9 HA TRP 9 -50.244 -33.345 -39.020 45 HB2 TRP 9 1HB TRP 9 -51.806 -34.941 -38.135 46 HB3 TRP 9 2HB TRP 9 -50.633 -35.554 -36.975 47 HD1 TRP 9 HD TRP 9 -50.975 -34.805 -34.681 48 HE1 TRP 9 1HE TRP 9 -52.064 -32.801 -33.446 49 HE3 TRP 9 3HE TRP 9 -52.325 -31.994 -38.730 50 HZ2 TRP 9 2HZ TRP 9 -53.191 -30.232 -34.154 51 HZ3 TRP 9 3HZ TRP 9 -53.343 -29.759 -38.428 52 HH2 TRP 9 HH TRP 9 -53.782 -28.873 -36.154 53 H GLY 10 H GLY 10 -49.788 -31.785 -37.216 54 HA2 GLY 10 1HA GLY 10 -46.993 -32.011 -36.190 55 HA3 GLY 10 2HA GLY 10 -47.790 -30.519 -36.709 56 H LEU 11 H LEU 11 -47.380 -32.797 -34.118 57 HA LEU 11 HA LEU 11 -49.649 -31.968 -32.524 58 HB2 LEU 11 1HB LEU 11 -47.011 -33.339 -31.853 59 HB3 LEU 11 2HB LEU 11 -48.175 -32.932 -30.601 60 HG LEU 11 HG LEU 11 -48.913 -34.647 -32.998 61 HD11 LEU 11 1HD1 LEU 11 -48.635 -36.603 -31.513 62 HD12 LEU 11 2HD1 LEU 11 -48.011 -35.550 -30.226 63 HD13 LEU 11 3HD1 LEU 11 -47.101 -35.751 -31.738 64 HD21 LEU 11 3HD2 LEU 11 -50.852 -33.653 -31.819 65 HD22 LEU 11 1HD2 LEU 11 -50.243 -34.283 -30.273 66 HD23 LEU 11 2HD2 LEU 11 -50.776 -35.394 -31.546 67 H ARG 12 H ARG 12 -49.629 -30.636 -30.671 68 HA ARG 12 HA ARG 12 -48.009 -28.243 -31.068 69 HB2 ARG 12 1HB ARG 12 -50.386 -28.068 -30.341 70 HB3 ARG 12 2HB ARG 12 -50.001 -28.935 -28.852 71 HG2 ARG 12 1HG ARG 12 -50.181 -26.545 -28.447 72 HG3 ARG 12 2HG ARG 12 -48.533 -27.082 -28.115 73 HD2 ARG 12 1HD ARG 12 -47.653 -26.002 -30.031 74 HD3 ARG 12 2HD ARG 12 -49.226 -25.955 -30.832 75 HE ARG 12 HE ARG 12 -49.865 -24.106 -29.694 76 HH11 ARG 12 1HH1 ARG 12 -46.652 -25.058 -28.374 77 HH12 ARG 12 2HH1 ARG 12 -46.325 -23.508 -27.740 78 HH21 ARG 12 1HH2 ARG 12 -49.421 -22.062 -28.757 79 HH22 ARG 12 2HH2 ARG 12 -47.952 -21.784 -27.908 80 H LEU 13 H LEU 13 -46.082 -27.884 -30.139 81 HA LEU 13 HA LEU 13 -45.092 -29.628 -27.956 82 HB2 LEU 13 1HB LEU 13 -43.775 -28.172 -30.280 83 HB3 LEU 13 2HB LEU 13 -42.877 -28.368 -28.792 84 HG LEU 13 HG LEU 13 -42.304 -30.077 -30.398 85 HD11 LEU 13 1HD1 LEU 13 -43.748 -31.346 -28.033 86 HD12 LEU 13 2HD1 LEU 13 -42.151 -30.567 -27.960 87 HD13 LEU 13 3HD1 LEU 13 -42.391 -32.009 -28.954 88 HD21 LEU 13 3HD2 LEU 13 -43.800 -31.865 -31.067 89 HD22 LEU 13 1HD2 LEU 13 -44.473 -30.309 -31.566 90 HD23 LEU 13 2HD2 LEU 13 -45.140 -31.154 -30.150 91 H GLN 14 H GLN 14 -43.905 -28.491 -26.256 92 HA GLN 14 HA GLN 14 -43.990 -25.667 -25.929 93 HB2 GLN 14 1HB GLN 14 -45.622 -25.629 -24.102 94 HB3 GLN 14 2HB GLN 14 -46.388 -26.168 -25.592 95 HG2 GLN 14 1HG GLN 14 -45.538 -27.996 -23.295 96 HG3 GLN 14 2HG GLN 14 -47.169 -27.404 -23.580 97 HE21 GLN 14 1HE2 GLN 14 -48.009 -27.939 -26.033 98 HE22 GLN 14 2HE2 GLN 14 -47.557 -29.566 -26.548 99 H GLU 15 H GLU 15 -43.430 -25.386 -23.288 100 HA GLU 15 HA GLU 15 -42.005 -27.593 -22.193 101 HB2 GLU 15 1HB GLU 15 -40.531 -25.932 -24.002 102 HB3 GLU 15 2HB GLU 15 -40.077 -25.383 -22.398 103 HG2 GLU 15 1HG GLU 15 -39.859 -28.196 -23.539 104 HG3 GLU 15 2HG GLU 15 -38.538 -27.118 -23.069 105 H LYS 16 H LYS 16 -40.647 -26.438 -20.222 106 HA LYS 16 HA LYS 16 -42.757 -25.207 -18.610 107 HB2 LYS 16 1HB LYS 16 -39.965 -26.337 -18.146 108 HB3 LYS 16 2HB LYS 16 -40.584 -25.184 -16.988 109 HG2 LYS 16 1HG LYS 16 -41.199 -27.207 -16.047 110 HG3 LYS 16 2HG LYS 16 -42.672 -26.593 -16.764 111 HD2 LYS 16 1HD LYS 16 -42.770 -28.807 -17.315 112 HD3 LYS 16 2HD LYS 16 -42.096 -28.171 -18.804 113 HE2 LYS 16 1HE LYS 16 -40.279 -29.158 -16.560 114 HE3 LYS 16 2HE LYS 16 -41.110 -30.330 -17.589 115 HZ1 LYS 16 3HZ LYS 16 -39.369 -28.236 -18.770 116 HZ2 LYS 16 1HZ LYS 16 -40.027 -29.441 -19.507 117 HZ3 LYS 16 2HZ LYS 16 -38.859 -29.766 -18.406 118 HA PRO 17 HA PRO 17 -41.417 -21.048 -19.100 119 HB2 PRO 17 1HB PRO 17 -41.938 -19.867 -16.687 120 HB3 PRO 17 2HB PRO 17 -43.247 -20.494 -17.738 121 HG2 PRO 17 1HG PRO 17 -41.913 -21.894 -15.388 122 HG3 PRO 17 2HG PRO 17 -43.671 -21.673 -15.687 123 HD2 PRO 17 1HD PRO 17 -42.373 -23.967 -16.387 124 HD3 PRO 17 2HD PRO 17 -43.667 -23.289 -17.415 125 H ALA 18 H ALA 18 -39.877 -19.367 -18.169 126 HA ALA 18 HA ALA 18 -37.317 -20.555 -17.644 127 HB1 ALA 18 1HB ALA 18 -38.208 -17.633 -17.496 128 HB2 ALA 18 2HB ALA 18 -36.532 -18.206 -17.575 129 HB3 ALA 18 3HB ALA 18 -37.613 -18.461 -18.958 130 H LEU 19 H LEU 19 -35.906 -19.758 -15.829 131 HA LEU 19 HA LEU 19 -37.319 -19.668 -13.208 132 HB2 LEU 19 1HB LEU 19 -34.760 -21.141 -14.003 133 HB3 LEU 19 2HB LEU 19 -35.232 -20.811 -12.348 134 HG LEU 19 HG LEU 19 -37.451 -22.053 -12.883 135 HD11 LEU 19 1HD1 LEU 19 -37.156 -23.922 -14.526 136 HD12 LEU 19 2HD1 LEU 19 -35.657 -23.161 -15.103 137 HD13 LEU 19 3HD1 LEU 19 -37.230 -22.360 -15.315 138 HD21 LEU 19 3HD2 LEU 19 -35.712 -22.853 -11.338 139 HD22 LEU 19 1HD2 LEU 19 -34.791 -23.533 -12.699 140 HD23 LEU 19 2HD2 LEU 19 -36.386 -24.195 -12.269 141 H LEU 20 H LEU 20 -35.685 -18.805 -11.479 142 HA LEU 20 HA LEU 20 -34.039 -16.594 -12.483 143 HB2 LEU 20 1HB LEU 20 -34.979 -15.184 -10.698 144 HB3 LEU 20 2HB LEU 20 -36.130 -15.603 -11.947 145 HG LEU 20 HG LEU 20 -37.150 -17.304 -10.389 146 HD11 LEU 20 1HD1 LEU 20 -35.281 -16.036 -8.335 147 HD12 LEU 20 2HD1 LEU 20 -35.395 -17.761 -8.766 148 HD13 LEU 20 3HD1 LEU 20 -36.726 -16.982 -7.926 149 HD21 LEU 20 3HD2 LEU 20 -38.338 -15.617 -9.056 150 HD22 LEU 20 1HD2 LEU 20 -38.083 -15.043 -10.707 151 HD23 LEU 20 2HD2 LEU 20 -37.062 -14.426 -9.391 152 H PHE 21 H PHE 21 -32.873 -15.678 -10.311 153 HA PHE 21 HA PHE 21 -31.792 -18.002 -8.832 154 HB2 PHE 21 1HB PHE 21 -29.608 -16.710 -8.938 155 HB3 PHE 21 2HB PHE 21 -30.160 -17.426 -10.439 156 HD1 PHE 21 2HD PHE 21 -29.944 -14.173 -8.573 157 HD2 PHE 21 1HD PHE 21 -30.542 -16.089 -12.394 158 HE1 PHE 21 2HE PHE 21 -29.782 -11.976 -9.705 159 HE2 PHE 21 1HE PHE 21 -30.375 -13.887 -13.518 160 HZ PHE 21 HZ PHE 21 -29.988 -11.828 -12.178 161 HA PRO 22 HA PRO 22 -32.757 -15.510 -5.302 162 HB2 PRO 22 1HB PRO 22 -31.081 -16.440 -3.368 163 HB3 PRO 22 2HB PRO 22 -32.322 -17.493 -4.115 164 HG2 PRO 22 1HG PRO 22 -29.382 -17.270 -4.856 165 HG3 PRO 22 2HG PRO 22 -30.320 -18.759 -4.507 166 HD2 PRO 22 1HD PRO 22 -29.904 -17.857 -7.054 167 HD3 PRO 22 2HD PRO 22 -31.433 -18.656 -6.580 168 H GLY 23 H GLY 23 -31.789 -13.979 -3.657 169 HA2 GLY 23 1HA GLY 23 -29.887 -12.179 -4.969 170 HA3 GLY 23 2HA GLY 23 -30.792 -11.893 -3.470 171 H MET 24 H MET 24 -28.173 -11.131 -3.440 172 HA MET 24 HA MET 24 -27.005 -12.829 -1.428 173 HB2 MET 24 1HB MET 24 -26.208 -13.636 -3.817 174 HB3 MET 24 2HB MET 24 -25.318 -12.109 -3.872 175 HG2 MET 24 1HG MET 24 -23.871 -13.847 -3.101 176 HG3 MET 24 2HG MET 24 -24.184 -12.768 -1.738 177 HE1 MET 24 3HE MET 24 -22.892 -15.740 -1.553 178 HE2 MET 24 1HE MET 24 -23.137 -14.691 -0.137 179 HE3 MET 24 2HE MET 24 -23.724 -16.371 -0.118 180 H ALA 25 H ALA 25 -25.690 -11.453 -0.049 181 HA ALA 25 HA ALA 25 -25.031 -8.729 -0.899 182 HB1 ALA 25 1HB ALA 25 -26.308 -7.719 0.987 183 HB2 ALA 25 2HB ALA 25 -27.390 -8.469 -0.204 184 HB3 ALA 25 3HB ALA 25 -27.046 -9.298 1.330 185 H ALA 26 H ALA 26 -23.053 -10.208 -0.589 186 HA ALA 26 HA ALA 26 -22.320 -11.068 2.039 187 HB1 ALA 26 1HB ALA 26 -20.548 -10.360 -0.322 188 HB2 ALA 26 2HB ALA 26 -20.128 -11.378 1.079 189 HB3 ALA 26 3HB ALA 26 -21.379 -11.918 -0.066 190 H SER 27 H SER 27 -20.681 -10.124 3.470 191 HA SER 27 HA SER 27 -21.092 -7.295 3.869 192 HB2 SER 27 1HB SER 27 -20.791 -9.059 5.670 193 HB3 SER 27 2HB SER 27 -19.092 -9.172 5.201 194 HG SER 27 HG SER 27 -20.494 -6.931 6.268 195 H THR 28 H THR 28 -19.449 -5.671 3.792 196 HA THR 28 HA THR 28 -17.484 -5.968 1.653 197 HB THR 28 HB THR 28 -17.317 -3.397 2.266 198 HG1 THR 28 1HG THR 28 -19.941 -3.912 3.195 199 HG21 THR 28 3HG2 THR 28 -19.276 -3.005 0.822 200 HG22 THR 28 1HG2 THR 28 -19.801 -4.687 1.052 201 HG23 THR 28 2HG2 THR 28 -18.273 -4.350 0.244 202 H VAL 29 H VAL 29 -15.478 -4.202 2.402 203 HA VAL 29 HA VAL 29 -13.787 -5.916 3.985 204 HB VAL 29 HB VAL 29 -13.270 -3.069 2.994 205 HG11 VAL 29 1HG1 VAL 29 -10.909 -3.803 2.860 206 HG12 VAL 29 2HG1 VAL 29 -11.507 -3.879 4.506 207 HG13 VAL 29 3HG1 VAL 29 -11.347 -5.374 3.554 208 HG21 VAL 29 3HG2 VAL 29 -12.939 -5.686 1.475 209 HG22 VAL 29 1HG2 VAL 29 -13.988 -4.323 1.029 210 HG23 VAL 29 2HG2 VAL 29 -12.244 -4.132 0.970 211 H GLN 30 H GLN 30 -12.681 -5.232 5.994 212 HA GLN 30 HA GLN 30 -14.490 -3.725 7.771 213 HB2 GLN 30 1HB GLN 30 -11.986 -5.258 8.518 214 HB3 GLN 30 2HB GLN 30 -13.244 -4.635 9.584 215 HG2 GLN 30 1HG GLN 30 -14.855 -6.154 8.285 216 HG3 GLN 30 2HG GLN 30 -13.404 -6.973 7.671 217 HE21 GLN 30 1HE2 GLN 30 -15.450 -8.183 9.330 218 HE22 GLN 30 2HE2 GLN 30 -14.706 -8.603 10.859 219 H VAL 31 H VAL 31 -13.003 -2.573 9.583 220 HA VAL 31 HA VAL 31 -11.902 -0.243 8.388 221 HB VAL 31 HB VAL 31 -11.668 -1.188 11.288 222 HG11 VAL 31 1HG1 VAL 31 -11.963 1.584 10.051 223 HG12 VAL 31 2HG1 VAL 31 -12.007 1.245 11.793 224 HG13 VAL 31 3HG1 VAL 31 -10.532 0.938 10.899 225 HG21 VAL 31 3HG2 VAL 31 -13.883 -0.080 11.702 226 HG22 VAL 31 1HG2 VAL 31 -14.102 0.041 9.941 227 HG23 VAL 31 2HG2 VAL 31 -14.008 -1.533 10.732 228 H ALA 32 H ALA 32 -9.661 0.536 9.088 229 HA ALA 32 HA ALA 32 -7.589 -1.542 9.348 230 HB1 ALA 32 1HB ALA 32 -6.259 -0.492 7.532 231 HB2 ALA 32 2HB ALA 32 -7.758 -1.180 6.910 232 HB3 ALA 32 3HB ALA 32 -7.600 0.580 7.152 233 H GLY 33 H GLY 33 -5.448 -0.396 9.734 234 HA2 GLY 33 1HA GLY 33 -4.201 1.373 10.582 235 HA3 GLY 33 2HA GLY 33 -5.678 2.290 10.970 236 H ARG 34 H ARG 34 -3.750 -0.545 11.762 237 HA ARG 34 HA ARG 34 -5.153 -1.270 14.197 238 HB2 ARG 34 1HB ARG 34 -2.307 -1.956 13.312 239 HB3 ARG 34 2HB ARG 34 -3.207 -2.712 14.606 240 HG2 ARG 34 1HG ARG 34 -3.165 -3.279 11.765 241 HG3 ARG 34 2HG ARG 34 -3.774 -4.277 13.089 242 HD2 ARG 34 1HD ARG 34 -5.878 -2.625 12.847 243 HD3 ARG 34 2HD ARG 34 -5.189 -2.356 11.259 244 HE ARG 34 HE ARG 34 -5.417 -4.746 10.790 245 HH11 ARG 34 1HH1 ARG 34 -7.092 -3.764 13.735 246 HH12 ARG 34 2HH1 ARG 34 -8.627 -4.462 13.351 247 HH21 ARG 34 1HH2 ARG 34 -7.323 -6.018 10.382 248 HH22 ARG 34 2HH2 ARG 34 -8.636 -6.070 11.534 249 H LYS 35 H LYS 35 -1.805 -0.140 13.986 250 HA LYS 35 HA LYS 35 -1.974 2.242 15.346 251 HB2 LYS 35 1HB LYS 35 -2.368 0.492 17.327 252 HB3 LYS 35 2HB LYS 35 -0.642 0.161 17.139 253 HG2 LYS 35 1HG LYS 35 -0.099 2.502 17.587 254 HG3 LYS 35 2HG LYS 35 -1.795 2.971 17.422 255 HD2 LYS 35 1HD LYS 35 -2.319 1.543 19.448 256 HD3 LYS 35 2HD LYS 35 -0.563 1.384 19.693 257 HE2 LYS 35 1HE LYS 35 -0.341 3.829 19.843 258 HE3 LYS 35 2HE LYS 35 -2.052 4.038 19.463 259 HZ1 LYS 35 3HZ LYS 35 -1.054 2.647 21.867 260 HZ2 LYS 35 1HZ LYS 35 -2.600 2.973 21.528 261 HZ3 LYS 35 2HZ LYS 35 -1.581 4.209 21.855 262 H ASP 36 H ASP 36 0.072 3.196 15.191 263 HA ASP 36 HA ASP 36 1.773 3.695 13.751 264 HB2 ASP 36 1HB ASP 36 2.734 1.528 15.619 265 HB3 ASP 36 2HB ASP 36 3.791 2.447 14.536 266 H TYR 37 H TYR 37 0.428 2.731 11.985 267 HA TYR 37 HA TYR 37 1.189 0.243 10.806 268 HB2 TYR 37 1HB TYR 37 0.061 1.980 8.828 269 HB3 TYR 37 2HB TYR 37 -0.543 0.519 9.539 270 HD1 TYR 37 2HD TYR 37 -1.270 1.162 12.274 271 HD2 TYR 37 1HD TYR 37 -1.624 3.550 8.711 272 HE1 TYR 37 2HE TYR 37 -3.080 2.530 13.354 273 HE2 TYR 37 1HE TYR 37 -3.451 4.854 9.743 274 HH TYR 37 HH TYR 37 -4.444 5.390 11.800 275 HA PRO 38 HA PRO 38 3.943 2.610 7.665 276 HB2 PRO 38 1HB PRO 38 4.592 5.251 8.086 277 HB3 PRO 38 2HB PRO 38 3.141 4.737 7.188 278 HG2 PRO 38 1HG PRO 38 3.296 5.565 10.095 279 HG3 PRO 38 2HG PRO 38 2.136 6.105 8.842 280 HD2 PRO 38 1HD PRO 38 1.479 4.122 10.570 281 HD3 PRO 38 2HD PRO 38 0.998 4.051 8.859 282 H ALA 39 H ALA 39 5.687 1.375 8.489 283 HA ALA 39 HA ALA 39 7.519 2.705 10.317 284 HB1 ALA 39 1HB ALA 39 5.877 1.583 11.867 285 HB2 ALA 39 2HB ALA 39 6.229 0.032 11.075 286 HB3 ALA 39 3HB ALA 39 7.495 0.890 11.984 287 H LEU 40 H LEU 40 9.349 1.044 10.753 288 HA LEU 40 HA LEU 40 10.409 0.206 8.170 289 HB2 LEU 40 1HB LEU 40 11.453 -0.118 11.030 290 HB3 LEU 40 2HB LEU 40 12.350 -0.585 9.595 291 HG LEU 40 HG LEU 40 11.465 2.252 10.273 292 HD11 LEU 40 1HD1 LEU 40 13.841 2.652 10.721 293 HD12 LEU 40 2HD1 LEU 40 14.220 0.949 10.364 294 HD13 LEU 40 3HD1 LEU 40 13.225 1.371 11.771 295 HD21 LEU 40 3HD2 LEU 40 12.989 2.936 8.457 296 HD22 LEU 40 1HD2 LEU 40 11.643 2.000 7.832 297 HD23 LEU 40 2HD2 LEU 40 13.246 1.235 8.003 298 H LEU 41 H LEU 41 8.889 -1.307 7.504 299 HA LEU 41 HA LEU 41 7.769 -3.417 8.854 300 HB2 LEU 41 1HB LEU 41 8.686 -3.337 5.964 301 HB3 LEU 41 2HB LEU 41 7.679 -4.618 6.613 302 HG LEU 41 HG LEU 41 6.872 -1.677 6.485 303 HD11 LEU 41 1HD1 LEU 41 5.289 -2.475 4.756 304 HD12 LEU 41 2HD1 LEU 41 5.965 -4.108 4.875 305 HD13 LEU 41 3HD1 LEU 41 6.964 -2.757 4.279 306 HD21 LEU 41 3HD2 LEU 41 5.747 -2.704 8.384 307 HD22 LEU 41 1HD2 LEU 41 5.374 -4.162 7.431 308 HD23 LEU 41 2HD2 LEU 41 4.590 -2.610 7.060 309 HA PRO 42 HA PRO 42 11.078 -6.131 9.812 310 HB2 PRO 42 1HB PRO 42 9.810 -8.463 10.314 311 HB3 PRO 42 2HB PRO 42 9.714 -7.032 11.388 312 HG2 PRO 42 1HG PRO 42 7.712 -7.953 9.325 313 HG3 PRO 42 2HG PRO 42 7.390 -7.365 10.979 314 HD2 PRO 42 1HD PRO 42 7.185 -5.781 8.732 315 HD3 PRO 42 2HD PRO 42 7.675 -5.108 10.305 316 H LEU 43 H LEU 43 12.243 -6.262 8.122 317 HA LEU 43 HA LEU 43 11.654 -8.012 5.780 318 HB2 LEU 43 1HB LEU 43 13.972 -6.103 6.397 319 HB3 LEU 43 2HB LEU 43 13.823 -7.083 4.921 320 HG LEU 43 HG LEU 43 12.167 -4.738 5.859 321 HD11 LEU 43 1HD1 LEU 43 14.265 -4.222 4.705 322 HD12 LEU 43 2HD1 LEU 43 12.888 -3.834 3.645 323 HD13 LEU 43 3HD1 LEU 43 13.827 -5.296 3.369 324 HD21 LEU 43 3HD2 LEU 43 11.457 -6.570 3.554 325 HD22 LEU 43 1HD2 LEU 43 10.741 -4.968 3.884 326 HD23 LEU 43 2HD2 LEU 43 10.507 -6.269 5.030 327 H ASN 44 H ASN 44 12.541 -9.979 5.450 328 HA ASN 44 HA ASN 44 13.943 -11.239 7.658 329 HB2 ASN 44 1HB ASN 44 12.310 -12.504 6.262 330 HB3 ASN 44 2HB ASN 44 13.335 -12.265 4.876 331 HD21 ASN 44 1HD2 ASN 44 12.937 -14.774 5.232 332 HD22 ASN 44 2HD2 ASN 44 14.199 -15.642 6.075 333 H GLU 45 H GLU 45 16.051 -10.635 7.955 334 HA GLU 45 HA GLU 45 17.725 -9.630 5.932 335 HB2 GLU 45 1HB GLU 45 19.328 -9.433 7.514 336 HB3 GLU 45 2HB GLU 45 17.872 -9.425 8.483 337 HG2 GLU 45 1HG GLU 45 18.262 -11.872 8.982 338 HG3 GLU 45 2HG GLU 45 19.807 -11.762 8.122 339 H SER 46 H SER 46 16.799 -12.861 6.192 340 HA SER 46 HA SER 46 19.286 -13.941 4.959 341 HB2 SER 46 1HB SER 46 16.808 -15.432 5.853 342 HB3 SER 46 2HB SER 46 18.421 -16.095 5.538 343 HG SER 46 HG SER 46 17.941 -14.151 7.545 344 H GLU 47 H GLU 47 16.099 -12.805 4.072 345 HA GLU 47 HA GLU 47 15.802 -14.566 1.721 346 HB2 GLU 47 1HB GLU 47 14.002 -13.842 3.359 347 HB3 GLU 47 2HB GLU 47 14.188 -12.194 2.739 348 HG2 GLU 47 1HG GLU 47 13.496 -13.032 0.501 349 HG3 GLU 47 2HG GLU 47 13.334 -14.657 1.194 350 H LEU 48 H LEU 48 17.482 -11.805 2.488 351 HA LEU 48 HA LEU 48 17.050 -10.199 0.128 352 HB2 LEU 48 1HB LEU 48 19.268 -10.041 2.211 353 HB3 LEU 48 2HB LEU 48 18.737 -8.775 1.146 354 HG LEU 48 HG LEU 48 17.518 -9.847 3.658 355 HD11 LEU 48 1HD1 LEU 48 18.966 -7.829 3.609 356 HD12 LEU 48 2HD1 LEU 48 17.354 -7.542 4.291 357 HD13 LEU 48 3HD1 LEU 48 17.715 -7.003 2.644 358 HD21 LEU 48 3HD2 LEU 48 15.387 -8.504 3.229 359 HD22 LEU 48 1HD2 LEU 48 15.493 -10.047 2.432 360 HD23 LEU 48 2HD2 LEU 48 15.823 -8.568 1.506 361 H GLU 49 H GLU 49 18.526 -9.681 -1.530 362 HA GLU 49 HA GLU 49 20.615 -11.703 -2.093 363 HB2 GLU 49 1HB GLU 49 19.062 -9.750 -3.827 364 HB3 GLU 49 2HB GLU 49 20.546 -10.542 -4.353 365 HG2 GLU 49 1HG GLU 49 19.363 -12.769 -3.706 366 HG3 GLU 49 2HG GLU 49 17.874 -11.818 -3.761 367 H GLU 50 H GLU 50 22.491 -11.095 -1.247 368 HA GLU 50 HA GLU 50 23.326 -8.281 -0.992 369 HB2 GLU 50 1HB GLU 50 24.520 -11.020 -0.316 370 HB3 GLU 50 2HB GLU 50 25.442 -9.529 -0.150 371 HG2 GLU 50 1HG GLU 50 22.811 -10.058 1.271 372 HG3 GLU 50 2HG GLU 50 24.407 -10.365 1.955 373 H GLN 51 H GLN 51 25.096 -7.421 -2.200 374 HA GLN 51 HA GLN 51 26.200 -9.139 -4.345 375 HB2 GLN 51 1HB GLN 51 24.982 -6.403 -4.564 376 HB3 GLN 51 2HB GLN 51 26.097 -7.015 -5.786 377 HG2 GLN 51 1HG GLN 51 23.620 -8.596 -5.019 378 HG3 GLN 51 2HG GLN 51 23.500 -7.186 -6.066 379 HE21 GLN 51 1HE2 GLN 51 23.025 -8.135 -7.995 380 HE22 GLN 51 2HE2 GLN 51 24.076 -9.226 -8.863 381 H PHE 52 H PHE 52 28.263 -8.849 -4.750 382 HA PHE 52 HA PHE 52 29.800 -7.027 -2.981 383 HB2 PHE 52 1HB PHE 52 30.627 -9.745 -3.979 384 HB3 PHE 52 2HB PHE 52 31.495 -8.719 -2.839 385 HD1 PHE 52 2HD PHE 52 30.422 -8.186 -0.565 386 HD2 PHE 52 1HD PHE 52 28.737 -11.110 -3.251 387 HE1 PHE 52 2HE PHE 52 28.919 -8.969 1.228 388 HE2 PHE 52 1HE PHE 52 27.269 -11.925 -1.438 389 HZ PHE 52 HZ PHE 52 27.330 -10.848 0.797 390 H VAL 53 H VAL 53 30.891 -5.421 -4.086 391 HA VAL 53 HA VAL 53 31.104 -5.636 -7.014 392 HB VAL 53 HB VAL 53 31.764 -3.399 -5.040 393 HG11 VAL 53 1HG1 VAL 53 31.782 -1.901 -6.968 394 HG12 VAL 53 2HG1 VAL 53 33.000 -3.152 -7.208 395 HG13 VAL 53 3HG1 VAL 53 31.452 -3.251 -8.078 396 HG21 VAL 53 3HG2 VAL 53 29.344 -3.870 -5.057 397 HG22 VAL 53 1HG2 VAL 53 29.675 -2.349 -5.883 398 HG23 VAL 53 2HG2 VAL 53 29.327 -3.815 -6.830 399 H LYS 54 H LYS 54 32.998 -6.076 -8.065 400 HA LYS 54 HA LYS 54 35.566 -6.073 -6.628 401 HB2 LYS 54 1HB LYS 54 36.164 -8.244 -7.437 402 HB3 LYS 54 2HB LYS 54 34.785 -8.346 -6.352 403 HG2 LYS 54 1HG LYS 54 34.146 -8.116 -9.282 404 HG3 LYS 54 2HG LYS 54 34.994 -9.553 -8.772 405 HD2 LYS 54 1HD LYS 54 32.444 -8.626 -7.403 406 HD3 LYS 54 2HD LYS 54 32.433 -9.613 -8.859 407 HE2 LYS 54 1HE LYS 54 33.971 -11.253 -7.601 408 HE3 LYS 54 2HE LYS 54 33.548 -10.358 -6.132 409 HZ1 LYS 54 3HZ LYS 54 32.115 -12.278 -6.508 410 HZ2 LYS 54 1HZ LYS 54 31.658 -11.690 -7.974 411 HZ3 LYS 54 2HZ LYS 54 31.220 -10.896 -6.594 412 H GLY 55 H GLY 55 37.401 -6.226 -8.218 413 HA2 GLY 55 1HA GLY 55 38.428 -5.708 -10.222 414 HA3 GLY 55 2HA GLY 55 36.849 -5.687 -11.049 415 H HIS 56 H HIS 56 35.460 -3.834 -10.704 416 HA HIS 56 HA HIS 56 36.488 -1.360 -9.547 417 HB2 HIS 56 1HB HIS 56 35.711 -1.699 -12.480 418 HB3 HIS 56 2HB HIS 56 35.834 -0.145 -11.665 419 HD1 HIS 56 1HD HIS 56 37.958 -2.388 -13.671 420 HD2 HIS 56 2HD HIS 56 38.407 0.322 -10.461 421 HE1 HIS 56 1HE HIS 56 40.391 -1.652 -13.679 422 H GLY 57 H GLY 57 34.654 0.281 -9.668 423 HA2 GLY 57 1HA GLY 57 31.961 -0.963 -9.597 424 HA3 GLY 57 2HA GLY 57 32.598 -0.026 -8.228 425 HA PRO 58 HA PRO 58 30.474 2.777 -11.361 426 HB2 PRO 58 1HB PRO 58 28.330 3.553 -9.845 427 HB3 PRO 58 2HB PRO 58 28.366 1.978 -10.704 428 HG2 PRO 58 1HG PRO 58 29.090 2.542 -7.814 429 HG3 PRO 58 2HG PRO 58 27.951 1.310 -8.449 430 HD2 PRO 58 1HD PRO 58 30.497 0.684 -7.845 431 HD3 PRO 58 2HD PRO 58 29.674 -0.041 -9.261 432 H GLY 59 H GLY 59 29.850 5.153 -10.960 433 HA2 GLY 59 1HA GLY 59 30.022 7.080 -9.474 434 HA3 GLY 59 2HA GLY 59 31.597 6.483 -8.942 435 H GLY 60 H GLY 60 32.145 8.762 -9.741 436 HA2 GLY 60 1HA GLY 60 32.360 9.072 -12.672 437 HA3 GLY 60 2HA GLY 60 32.627 10.298 -11.437 438 H GLN 61 H GLN 61 34.148 7.270 -10.785 439 HA GLN 61 HA GLN 61 36.167 6.593 -10.456 440 HB2 GLN 61 1HB GLN 61 36.658 7.599 -13.259 441 HB3 GLN 61 2HB GLN 61 37.653 6.431 -12.390 442 HG2 GLN 61 1HG GLN 61 34.778 6.067 -13.300 443 HG3 GLN 61 2HG GLN 61 36.223 5.221 -13.861 444 HE21 GLN 61 1HE2 GLN 61 33.602 4.197 -12.580 445 HE22 GLN 61 2HE2 GLN 61 34.179 3.179 -11.279 446 H ALA 62 H ALA 62 35.873 9.860 -10.259 447 HA ALA 62 HA ALA 62 38.710 10.497 -9.989 448 HB1 ALA 62 1HB ALA 62 36.994 12.232 -10.515 449 HB2 ALA 62 2HB ALA 62 36.258 11.968 -8.912 450 HB3 ALA 62 3HB ALA 62 37.907 12.612 -9.039 451 H THR 63 H THR 63 36.467 8.716 -8.137 452 HA THR 63 HA THR 63 38.133 8.858 -5.700 453 HB THR 63 HB THR 63 35.899 8.379 -4.516 454 HG1 THR 63 1HG THR 63 34.062 9.245 -5.675 455 HG21 THR 63 3HG2 THR 63 37.088 10.571 -4.411 456 HG22 THR 63 1HG2 THR 63 35.326 10.752 -4.370 457 HG23 THR 63 2HG2 THR 63 36.217 11.099 -5.865 458 H ASN 64 H ASN 64 39.028 7.014 -5.277 459 HA ASN 64 HA ASN 64 37.785 4.402 -6.072 460 HB2 ASN 64 1HB ASN 64 39.684 4.860 -7.538 461 HB3 ASN 64 2HB ASN 64 40.729 5.166 -6.144 462 HD21 ASN 64 1HD2 ASN 64 38.966 2.603 -7.959 463 HD22 ASN 64 2HD2 ASN 64 39.797 1.292 -7.147 464 H LYS 65 H LYS 65 38.979 6.449 -3.657 465 HA LYS 65 HA LYS 65 39.918 4.642 -1.661 466 HB2 LYS 65 1HB LYS 65 38.755 7.467 -1.452 467 HB3 LYS 65 2HB LYS 65 39.517 6.600 -0.134 468 HG2 LYS 65 1HG LYS 65 41.117 8.110 -0.895 469 HG3 LYS 65 2HG LYS 65 41.666 6.521 -1.421 470 HD2 LYS 65 1HD LYS 65 41.049 6.992 -3.715 471 HD3 LYS 65 2HD LYS 65 40.213 8.488 -3.262 472 HE2 LYS 65 1HE LYS 65 43.203 7.985 -2.871 473 HE3 LYS 65 2HE LYS 65 42.523 8.702 -4.334 474 HZ1 LYS 65 3HZ LYS 65 41.684 10.528 -3.023 475 HZ2 LYS 65 1HZ LYS 65 43.300 10.380 -2.818 476 HZ3 LYS 65 2HZ LYS 65 42.286 9.875 -1.631 477 H THR 66 H THR 66 36.690 5.014 -2.823 478 HA THR 66 HA THR 66 35.518 4.152 -0.260 479 HB THR 66 HB THR 66 33.385 4.915 -1.591 480 HG1 THR 66 1HG THR 66 33.831 6.576 -3.055 481 HG21 THR 66 3HG2 THR 66 35.478 6.915 -0.606 482 HG22 THR 66 1HG2 THR 66 34.302 6.055 0.407 483 HG23 THR 66 2HG2 THR 66 33.747 7.234 -0.796 484 H SER 67 H SER 67 36.978 2.562 -2.589 485 HA SER 67 HA SER 67 35.243 0.885 -3.874 486 HB2 SER 67 1HB SER 67 37.982 0.256 -2.699 487 HB3 SER 67 2HB SER 67 37.124 -0.761 -3.872 488 HG SER 67 HG SER 67 38.183 1.852 -4.242 489 H ASN 68 H ASN 68 35.609 0.868 -0.425 490 HA ASN 68 HA ASN 68 34.745 -1.926 -0.043 491 HB2 ASN 68 1HB ASN 68 35.193 0.442 1.846 492 HB3 ASN 68 2HB ASN 68 34.445 -1.054 2.382 493 HD21 ASN 68 1HD2 ASN 68 35.720 -3.139 1.681 494 HD22 ASN 68 2HD2 ASN 68 37.413 -3.041 2.135 495 H CYS 69 H CYS 69 32.906 -1.305 -1.739 496 HA CYS 69 HA CYS 69 30.701 0.186 -0.419 497 HB2 CYS 69 1HB CYS 69 31.627 0.692 -2.796 498 HB3 CYS 69 2HB CYS 69 30.826 -0.809 -3.291 499 HG CYS 69 HG CYS 69 28.371 -0.023 -2.406 500 H VAL 70 H VAL 70 28.511 -0.695 -0.883 501 HA VAL 70 HA VAL 70 28.232 -3.626 -0.957 502 HB VAL 70 HB VAL 70 27.297 -1.691 1.205 503 HG11 VAL 70 1HG1 VAL 70 25.915 -3.575 2.054 504 HG12 VAL 70 2HG1 VAL 70 25.305 -2.936 0.546 505 HG13 VAL 70 3HG1 VAL 70 26.208 -4.465 0.559 506 HG21 VAL 70 3HG2 VAL 70 28.211 -3.462 2.706 507 HG22 VAL 70 1HG2 VAL 70 28.711 -4.399 1.292 508 HG23 VAL 70 2HG2 VAL 70 29.461 -2.820 1.630 509 H VAL 71 H VAL 71 26.263 -4.165 -2.008 510 HA VAL 71 HA VAL 71 24.483 -2.032 -2.786 511 HB VAL 71 HB VAL 71 26.047 -1.984 -4.598 512 HG11 VAL 71 1HG1 VAL 71 26.676 -4.536 -4.525 513 HG12 VAL 71 2HG1 VAL 71 25.327 -4.659 -5.698 514 HG13 VAL 71 3HG1 VAL 71 26.691 -3.618 -6.043 515 HG21 VAL 71 3HG2 VAL 71 23.673 -1.505 -5.064 516 HG22 VAL 71 1HG2 VAL 71 24.491 -2.212 -6.450 517 HG23 VAL 71 2HG2 VAL 71 23.402 -3.216 -5.465 518 H LEU 72 H LEU 72 22.506 -2.738 -2.403 519 HA LEU 72 HA LEU 72 22.140 -5.646 -1.815 520 HB2 LEU 72 1HB LEU 72 22.367 -4.187 0.213 521 HB3 LEU 72 2HB LEU 72 21.000 -3.229 -0.360 522 HG LEU 72 HG LEU 72 19.545 -5.246 -0.185 523 HD11 LEU 72 1HD1 LEU 72 22.044 -6.528 0.951 524 HD12 LEU 72 2HD1 LEU 72 21.069 -7.105 -0.401 525 HD13 LEU 72 3HD1 LEU 72 20.428 -7.169 1.248 526 HD21 LEU 72 3HD2 LEU 72 21.059 -4.574 2.366 527 HD22 LEU 72 1HD2 LEU 72 19.412 -5.234 2.253 528 HD23 LEU 72 2HD2 LEU 72 19.754 -3.598 1.656 529 H LYS 73 H LYS 73 20.107 -6.506 -2.399 530 HA LYS 73 HA LYS 73 18.262 -4.756 -3.942 531 HB2 LYS 73 1HB LYS 73 19.703 -5.689 -5.572 532 HB3 LYS 73 2HB LYS 73 19.692 -7.287 -4.837 533 HG2 LYS 73 1HG LYS 73 17.064 -6.171 -5.848 534 HG3 LYS 73 2HG LYS 73 18.285 -6.688 -7.009 535 HD2 LYS 73 1HD LYS 73 18.373 -8.932 -5.950 536 HD3 LYS 73 2HD LYS 73 17.095 -8.458 -4.840 537 HE2 LYS 73 1HE LYS 73 15.969 -9.640 -6.482 538 HE3 LYS 73 2HE LYS 73 15.658 -7.936 -6.897 539 HZ1 LYS 73 3HZ LYS 73 16.274 -9.332 -8.821 540 HZ2 LYS 73 1HZ LYS 73 17.717 -9.680 -8.134 541 HZ3 LYS 73 2HZ LYS 73 17.385 -8.145 -8.596 542 H HIS 74 H HIS 74 16.161 -5.146 -3.436 543 HA HIS 74 HA HIS 74 15.597 -7.419 -1.589 544 HB2 HIS 74 1HB HIS 74 14.607 -4.838 -1.521 545 HB3 HIS 74 2HB HIS 74 13.385 -5.653 -2.476 546 HD1 HIS 74 1HD HIS 74 11.522 -6.929 -0.922 547 HD2 HIS 74 2HD HIS 74 15.263 -6.239 0.936 548 HE1 HIS 74 1HE HIS 74 11.383 -7.975 1.261 549 H VAL 75 H VAL 75 14.189 -9.134 -2.278 550 HA VAL 75 HA VAL 75 14.165 -9.522 -5.132 551 HB VAL 75 HB VAL 75 13.266 -11.232 -2.812 552 HG11 VAL 75 1HG1 VAL 75 13.158 -11.873 -5.792 553 HG12 VAL 75 2HG1 VAL 75 12.928 -13.040 -4.463 554 HG13 VAL 75 3HG1 VAL 75 11.765 -11.726 -4.699 555 HG21 VAL 75 3HG2 VAL 75 15.687 -10.949 -3.125 556 HG22 VAL 75 1HG2 VAL 75 15.192 -12.582 -3.551 557 HG23 VAL 75 2HG2 VAL 75 15.539 -11.419 -4.836 558 HA PRO 76 HA PRO 76 9.418 -9.398 -5.178 559 HB2 PRO 76 1HB PRO 76 8.044 -8.444 -2.929 560 HB3 PRO 76 2HB PRO 76 8.329 -10.173 -3.326 561 HG2 PRO 76 1HG PRO 76 9.934 -8.341 -1.542 562 HG3 PRO 76 2HG PRO 76 9.341 -9.987 -1.174 563 HD2 PRO 76 1HD PRO 76 11.876 -9.558 -1.972 564 HD3 PRO 76 2HD PRO 76 10.965 -10.924 -2.692 565 H SER 77 H SER 77 10.900 -6.947 -3.152 566 HA SER 77 HA SER 77 9.246 -4.813 -4.289 567 HB2 SER 77 1HB SER 77 10.260 -4.857 -1.940 568 HB3 SER 77 2HB SER 77 11.786 -4.389 -2.703 569 HG SER 77 HG SER 77 9.517 -2.886 -3.290 570 H GLY 78 H GLY 78 12.339 -6.313 -5.175 571 HA2 GLY 78 1HA GLY 78 13.673 -5.997 -6.974 572 HA3 GLY 78 2HA GLY 78 12.396 -5.007 -7.691 573 H ILE 79 H ILE 79 13.103 -3.548 -4.762 574 HA ILE 79 HA ILE 79 14.427 -1.315 -5.963 575 HB ILE 79 HB ILE 79 13.967 -2.047 -3.031 576 HG12 ILE 79 1HG1 ILE 79 12.455 -0.201 -4.929 577 HG13 ILE 79 2HG1 ILE 79 11.894 -1.769 -4.349 578 HG21 ILE 79 1HG2 ILE 79 14.422 0.319 -2.509 579 HG22 ILE 79 2HG2 ILE 79 15.833 -0.370 -3.285 580 HG23 ILE 79 3HG2 ILE 79 14.726 0.667 -4.220 581 HD11 ILE 79 3HD1 ILE 79 12.218 0.789 -2.788 582 HD12 ILE 79 1HD1 ILE 79 10.767 -0.125 -3.107 583 HD13 ILE 79 2HD1 ILE 79 11.974 -0.793 -1.988 584 H VAL 80 H VAL 80 16.568 -0.799 -6.002 585 HA VAL 80 HA VAL 80 18.536 -2.577 -4.689 586 HB VAL 80 HB VAL 80 18.766 -1.408 -7.495 587 HG11 VAL 80 1HG1 VAL 80 20.734 -2.744 -7.728 588 HG12 VAL 80 2HG1 VAL 80 20.924 -1.831 -6.247 589 HG13 VAL 80 3HG1 VAL 80 20.471 -3.530 -6.129 590 HG21 VAL 80 3HG2 VAL 80 17.120 -3.099 -7.754 591 HG22 VAL 80 1HG2 VAL 80 18.631 -3.848 -8.254 592 HG23 VAL 80 2HG2 VAL 80 17.950 -4.203 -6.651 593 H VAL 81 H VAL 81 20.264 -1.439 -3.799 594 HA VAL 81 HA VAL 81 20.646 1.372 -4.461 595 HB VAL 81 HB VAL 81 18.832 1.395 -2.739 596 HG11 VAL 81 1HG1 VAL 81 19.349 1.006 -0.409 597 HG12 VAL 81 2HG1 VAL 81 19.512 -0.501 -1.323 598 HG13 VAL 81 3HG1 VAL 81 20.965 0.391 -0.804 599 HG21 VAL 81 3HG2 VAL 81 20.355 3.317 -3.091 600 HG22 VAL 81 1HG2 VAL 81 19.727 3.198 -1.448 601 HG23 VAL 81 2HG2 VAL 81 21.404 2.707 -1.786 602 H LYS 82 H LYS 82 22.730 2.090 -3.872 603 HA LYS 82 HA LYS 82 24.607 0.031 -2.850 604 HB2 LYS 82 1HB LYS 82 26.301 1.186 -4.363 605 HB3 LYS 82 2HB LYS 82 25.151 0.120 -5.153 606 HG2 LYS 82 1HG LYS 82 23.801 1.990 -5.895 607 HG3 LYS 82 2HG LYS 82 24.865 3.143 -5.060 608 HD2 LYS 82 1HD LYS 82 25.753 3.318 -7.174 609 HD3 LYS 82 2HD LYS 82 26.737 2.006 -6.546 610 HE2 LYS 82 1HE LYS 82 26.062 1.092 -8.577 611 HE3 LYS 82 2HE LYS 82 24.827 0.447 -7.497 612 HZ1 LYS 82 3HZ LYS 82 23.863 1.370 -9.467 613 HZ2 LYS 82 1HZ LYS 82 24.597 2.818 -9.257 614 HZ3 LYS 82 2HZ LYS 82 23.419 2.331 -8.218 615 H CYS 83 H CYS 83 25.771 0.687 -1.147 616 HA CYS 83 HA CYS 83 26.280 3.559 -0.728 617 HB2 CYS 83 1HB CYS 83 24.664 1.800 1.157 618 HB3 CYS 83 2HB CYS 83 25.564 3.207 1.740 619 HG CYS 83 HG CYS 83 24.529 4.842 -0.121 620 H HIS 84 H HIS 84 27.788 3.944 1.029 621 HA HIS 84 HA HIS 84 29.505 1.836 2.007 622 HB2 HIS 84 1HB HIS 84 31.554 2.847 1.054 623 HB3 HIS 84 2HB HIS 84 30.507 2.255 -0.230 624 HD1 HIS 84 1HD HIS 84 31.809 5.605 1.156 625 HD2 HIS 84 2HD HIS 84 29.283 3.987 -1.788 626 HE1 HIS 84 1HE HIS 84 31.254 7.523 -0.422 627 H GLN 85 H GLN 85 30.905 2.841 3.736 628 HA GLN 85 HA GLN 85 30.714 5.625 4.318 629 HB2 GLN 85 1HB GLN 85 28.526 4.548 5.154 630 HB3 GLN 85 2HB GLN 85 29.468 3.657 6.323 631 HG2 GLN 85 1HG GLN 85 29.822 6.667 6.104 632 HG3 GLN 85 2HG GLN 85 28.318 5.980 6.703 633 HE21 GLN 85 1HE2 GLN 85 28.257 5.853 8.969 634 HE22 GLN 85 2HE2 GLN 85 29.688 5.489 9.913 635 H THR 86 H THR 86 31.129 2.630 6.248 636 HA THR 86 HA THR 86 33.808 3.416 7.041 637 HB THR 86 HB THR 86 33.693 1.478 8.461 638 HG1 THR 86 1HG THR 86 31.442 0.639 6.934 639 HG21 THR 86 3HG2 THR 86 32.249 3.292 9.278 640 HG22 THR 86 1HG2 THR 86 31.661 1.692 9.755 641 HG23 THR 86 2HG2 THR 86 30.853 2.570 8.445 642 H ARG 87 H ARG 87 35.368 1.339 7.090 643 HA ARG 87 HA ARG 87 35.752 0.459 4.261 644 HB2 ARG 87 1HB ARG 87 37.615 0.781 6.585 645 HB3 ARG 87 2HB ARG 87 38.002 -0.263 5.200 646 HG2 ARG 87 1HG ARG 87 37.566 1.596 3.614 647 HG3 ARG 87 2HG ARG 87 37.135 2.659 4.960 648 HD2 ARG 87 1HD ARG 87 39.378 3.082 4.233 649 HD3 ARG 87 2HD ARG 87 39.341 2.432 5.893 650 HE ARG 87 HE ARG 87 39.736 0.512 3.710 651 HH11 ARG 87 1HH1 ARG 87 41.366 2.484 6.162 652 HH12 ARG 87 2HH1 ARG 87 42.777 1.503 6.276 653 HH21 ARG 87 1HH2 ARG 87 41.627 -0.831 3.827 654 HH22 ARG 87 2HH2 ARG 87 42.935 -0.441 4.878 655 H SER 88 H SER 88 34.066 -0.647 6.906 656 HA SER 88 HA SER 88 34.919 -3.478 6.753 657 HB2 SER 88 1HB SER 88 33.180 -1.804 8.610 658 HB3 SER 88 2HB SER 88 33.257 -3.570 8.710 659 HG SER 88 HG SER 88 35.534 -1.859 8.815 660 H VAL 89 H VAL 89 33.882 -4.606 5.173 661 HA VAL 89 HA VAL 89 31.610 -3.703 3.789 662 HB VAL 89 HB VAL 89 33.217 -5.303 2.915 663 HG11 VAL 89 1HG1 VAL 89 32.019 -7.443 4.717 664 HG12 VAL 89 2HG1 VAL 89 33.261 -7.653 3.477 665 HG13 VAL 89 3HG1 VAL 89 33.632 -6.715 4.920 666 HG21 VAL 89 3HG2 VAL 89 31.679 -6.813 1.764 667 HG22 VAL 89 1HG2 VAL 89 30.401 -6.454 2.945 668 HG23 VAL 89 2HG2 VAL 89 31.010 -5.174 1.873 669 H ASP 90 H ASP 90 31.843 -5.916 6.608 670 HA ASP 90 HA ASP 90 29.161 -6.617 6.826 671 HB2 ASP 90 1HB ASP 90 31.078 -7.599 8.093 672 HB3 ASP 90 2HB ASP 90 31.099 -6.158 9.129 673 H GLN 91 H GLN 91 30.786 -3.727 8.335 674 HA GLN 91 HA GLN 91 28.421 -2.795 9.620 675 HB2 GLN 91 1HB GLN 91 31.048 -1.513 8.791 676 HB3 GLN 91 2HB GLN 91 29.826 -0.663 9.692 677 HG2 GLN 91 1HG GLN 91 31.195 -3.190 10.692 678 HG3 GLN 91 2HG GLN 91 31.706 -1.548 11.080 679 HE21 GLN 91 1HE2 GLN 91 30.939 -0.820 13.122 680 HE22 GLN 91 2HE2 GLN 91 29.420 -1.381 13.807 681 H ASN 92 H ASN 92 29.810 -2.383 6.355 682 HA ASN 92 HA ASN 92 27.975 -0.220 5.724 683 HB2 ASN 92 1HB ASN 92 29.782 -1.940 4.018 684 HB3 ASN 92 2HB ASN 92 28.681 -0.726 3.333 685 HD21 ASN 92 1HD2 ASN 92 31.384 -0.271 2.769 686 HD22 ASN 92 2HD2 ASN 92 32.066 0.859 3.871 687 H ARG 93 H ARG 93 27.755 -3.774 5.638 688 HA ARG 93 HA ARG 93 25.408 -3.915 3.982 689 HB2 ARG 93 1HB ARG 93 26.370 -5.778 6.185 690 HB3 ARG 93 2HB ARG 93 24.929 -6.045 5.224 691 HG2 ARG 93 1HG ARG 93 26.263 -6.156 3.150 692 HG3 ARG 93 2HG ARG 93 27.734 -5.845 4.069 693 HD2 ARG 93 1HD ARG 93 27.560 -8.237 3.698 694 HD3 ARG 93 2HD ARG 93 27.318 -7.882 5.421 695 HE ARG 93 HE ARG 93 24.873 -8.003 3.831 696 HH11 ARG 93 1HH1 ARG 93 27.093 -10.066 5.692 697 HH12 ARG 93 2HH1 ARG 93 25.982 -11.398 5.723 698 HH21 ARG 93 1HH2 ARG 93 23.381 -9.544 4.128 699 HH22 ARG 93 2HH2 ARG 93 23.611 -10.955 5.116 700 H LYS 94 H LYS 94 25.689 -3.672 7.578 701 HA LYS 94 HA LYS 94 22.889 -3.662 7.915 702 HB2 LYS 94 1HB LYS 94 23.197 -2.721 10.134 703 HB3 LYS 94 2HB LYS 94 24.293 -4.058 9.800 704 HG2 LYS 94 1HG LYS 94 26.146 -2.547 9.492 705 HG3 LYS 94 2HG LYS 94 25.096 -1.123 9.648 706 HD2 LYS 94 1HD LYS 94 26.287 -1.434 11.707 707 HD3 LYS 94 2HD LYS 94 24.588 -1.857 12.017 708 HE2 LYS 94 1HE LYS 94 25.106 -4.252 11.814 709 HE3 LYS 94 2HE LYS 94 26.729 -3.865 11.225 710 HZ1 LYS 94 3HZ LYS 94 27.245 -2.928 13.360 711 HZ2 LYS 94 1HZ LYS 94 26.894 -4.520 13.406 712 HZ3 LYS 94 2HZ LYS 94 25.767 -3.435 13.965 713 H ILE 95 H ILE 95 24.993 -0.915 7.164 714 HA ILE 95 HA ILE 95 22.986 1.091 7.459 715 HB ILE 95 HB ILE 95 25.507 0.940 5.762 716 HG12 ILE 95 1HG1 ILE 95 24.944 2.502 8.342 717 HG13 ILE 95 2HG1 ILE 95 25.628 0.888 8.357 718 HG21 ILE 95 1HG2 ILE 95 23.731 3.366 6.304 719 HG22 ILE 95 2HG2 ILE 95 25.345 3.437 5.563 720 HG23 ILE 95 3HG2 ILE 95 24.044 2.609 4.730 721 HD11 ILE 95 3HD1 ILE 95 27.385 2.508 8.638 722 HD12 ILE 95 1HD1 ILE 95 27.603 1.642 7.115 723 HD13 ILE 95 2HD1 ILE 95 26.968 3.310 7.114 724 H ALA 96 H ALA 96 24.053 -0.827 4.584 725 HA ALA 96 HA ALA 96 22.242 0.271 2.737 726 HB1 ALA 96 1HB ALA 96 22.744 -1.703 1.386 727 HB2 ALA 96 2HB ALA 96 24.220 -1.069 2.151 728 HB3 ALA 96 3HB ALA 96 23.441 -2.525 2.800 729 H ARG 97 H ARG 97 21.898 -2.631 4.834 730 HA ARG 97 HA ARG 97 19.293 -3.394 3.969 731 HB2 ARG 97 1HB ARG 97 21.107 -4.553 5.548 732 HB3 ARG 97 2HB ARG 97 20.197 -3.761 6.835 733 HG2 ARG 97 1HG ARG 97 18.098 -4.886 5.837 734 HG3 ARG 97 2HG ARG 97 19.206 -5.742 4.762 735 HD2 ARG 97 1HD ARG 97 18.826 -7.253 6.525 736 HD3 ARG 97 2HD ARG 97 20.418 -6.573 6.876 737 HE ARG 97 HE ARG 97 18.164 -5.164 8.088 738 HH11 ARG 97 1HH1 ARG 97 20.470 -7.811 8.680 739 HH12 ARG 97 2HH1 ARG 97 20.027 -8.001 10.329 740 HH21 ARG 97 1HH2 ARG 97 17.649 -5.333 10.270 741 HH22 ARG 97 2HH2 ARG 97 18.404 -6.523 11.272 742 H LYS 98 H LYS 98 20.312 -1.204 6.616 743 HA LYS 98 HA LYS 98 17.717 -0.630 7.566 744 HB2 LYS 98 1HB LYS 98 19.731 -0.123 8.824 745 HB3 LYS 98 2HB LYS 98 20.269 1.065 7.638 746 HG2 LYS 98 1HG LYS 98 17.569 1.373 8.976 747 HG3 LYS 98 2HG LYS 98 19.028 1.775 9.864 748 HD2 LYS 98 1HD LYS 98 19.507 3.661 8.615 749 HD3 LYS 98 2HD LYS 98 18.809 3.025 7.149 750 HE2 LYS 98 1HE LYS 98 17.299 4.703 7.741 751 HE3 LYS 98 2HE LYS 98 16.518 3.203 8.238 752 HZ1 LYS 98 3HZ LYS 98 16.249 4.626 9.980 753 HZ2 LYS 98 1HZ LYS 98 17.730 5.283 9.909 754 HZ3 LYS 98 2HZ LYS 98 17.558 3.753 10.524 755 H VAL 99 H VAL 99 19.678 1.191 5.083 756 HA VAL 99 HA VAL 99 17.523 3.054 4.716 757 HB VAL 99 HB VAL 99 19.912 3.503 4.254 758 HG11 VAL 99 1HG1 VAL 99 20.912 2.983 2.099 759 HG12 VAL 99 2HG1 VAL 99 20.616 1.554 3.074 760 HG13 VAL 99 3HG1 VAL 99 19.547 1.908 1.706 761 HG21 VAL 99 3HG2 VAL 99 19.460 4.897 2.242 762 HG22 VAL 99 1HG2 VAL 99 17.902 4.087 2.041 763 HG23 VAL 99 2HG2 VAL 99 18.246 5.029 3.504 764 H LEU 100 H LEU 100 18.209 -0.128 3.250 765 HA LEU 100 HA LEU 100 16.385 0.159 1.079 766 HB2 LEU 100 1HB LEU 100 18.124 -1.571 1.202 767 HB3 LEU 100 2HB LEU 100 17.258 -2.353 2.530 768 HG LEU 100 HG LEU 100 15.357 -2.864 1.066 769 HD11 LEU 100 1HD1 LEU 100 15.312 -0.994 -0.504 770 HD12 LEU 100 2HD1 LEU 100 15.575 -2.474 -1.417 771 HD13 LEU 100 3HD1 LEU 100 16.947 -1.395 -1.099 772 HD21 LEU 100 3HD2 LEU 100 18.023 -3.548 -0.237 773 HD22 LEU 100 1HD2 LEU 100 16.509 -4.444 -0.425 774 HD23 LEU 100 2HD2 LEU 100 17.290 -4.400 1.150 775 H GLN 101 H GLN 101 15.956 -0.937 4.424 776 HA GLN 101 HA GLN 101 13.344 -1.843 4.320 777 HB2 GLN 101 1HB GLN 101 15.152 -1.911 6.136 778 HB3 GLN 101 2HB GLN 101 14.584 -0.320 6.642 779 HG2 GLN 101 1HG GLN 101 12.446 -1.235 7.293 780 HG3 GLN 101 2HG GLN 101 12.758 -2.726 6.432 781 HE21 GLN 101 1HE2 GLN 101 12.462 -3.965 8.337 782 HE22 GLN 101 2HE2 GLN 101 13.696 -4.094 9.582 783 H GLU 102 H GLU 102 14.433 1.554 4.646 784 HA GLU 102 HA GLU 102 11.865 2.731 5.116 785 HB2 GLU 102 1HB GLU 102 14.247 3.939 3.624 786 HB3 GLU 102 2HB GLU 102 12.972 4.819 4.465 787 HG2 GLU 102 1HG GLU 102 13.757 3.890 6.609 788 HG3 GLU 102 2HG GLU 102 15.064 3.030 5.786 789 H LYS 103 H LYS 103 13.581 1.855 2.200 790 HA LYS 103 HA LYS 103 11.675 3.217 0.408 791 HB2 LYS 103 1HB LYS 103 13.877 1.237 -0.292 792 HB3 LYS 103 2HB LYS 103 12.930 2.238 -1.403 793 HG2 LYS 103 1HG LYS 103 13.770 4.262 -0.032 794 HG3 LYS 103 2HG LYS 103 14.963 3.164 0.627 795 HD2 LYS 103 1HD LYS 103 15.654 2.639 -1.783 796 HD3 LYS 103 2HD LYS 103 14.575 3.931 -2.310 797 HE2 LYS 103 1HE LYS 103 16.843 4.301 -0.285 798 HE3 LYS 103 2HE LYS 103 17.029 4.572 -2.001 799 HZ1 LYS 103 3HZ LYS 103 15.084 6.036 -0.288 800 HZ2 LYS 103 1HZ LYS 103 15.322 6.289 -1.882 801 HZ3 LYS 103 2HZ LYS 103 16.513 6.636 -0.821 802 H VAL 104 H VAL 104 12.285 -0.145 1.463 803 HA VAL 104 HA VAL 104 10.271 -1.294 -0.190 804 HB VAL 104 HB VAL 104 11.656 -2.242 2.341 805 HG11 VAL 104 1HG1 VAL 104 10.884 -4.533 1.618 806 HG12 VAL 104 2HG1 VAL 104 9.591 -3.477 2.210 807 HG13 VAL 104 3HG1 VAL 104 9.783 -3.739 0.465 808 HG21 VAL 104 3HG2 VAL 104 13.088 -1.964 0.274 809 HG22 VAL 104 1HG2 VAL 104 12.937 -3.651 0.786 810 HG23 VAL 104 2HG2 VAL 104 11.991 -3.048 -0.587 811 H ASP 105 H ASP 105 10.045 0.318 3.026 812 HA ASP 105 HA ASP 105 7.432 -0.576 3.739 813 HB2 ASP 105 1HB ASP 105 8.697 0.664 5.353 814 HB3 ASP 105 2HB ASP 105 8.914 2.017 4.225 815 H VAL 106 H VAL 106 8.423 2.398 2.031 816 HA VAL 106 HA VAL 106 5.855 3.250 1.222 817 HB VAL 106 HB VAL 106 8.566 3.748 -0.071 818 HG11 VAL 106 1HG1 VAL 106 7.508 5.849 -0.923 819 HG12 VAL 106 2HG1 VAL 106 6.805 4.406 -1.642 820 HG13 VAL 106 3HG1 VAL 106 5.929 5.265 -0.356 821 HG21 VAL 106 3HG2 VAL 106 8.483 5.862 1.255 822 HG22 VAL 106 1HG2 VAL 106 6.970 5.319 1.994 823 HG23 VAL 106 2HG2 VAL 106 8.479 4.445 2.311 824 H PHE 107 H PHE 107 7.903 0.763 -0.150 825 HA PHE 107 HA PHE 107 6.494 0.645 -2.701 826 HB2 PHE 107 1HB PHE 107 8.856 -0.080 -2.190 827 HB3 PHE 107 2HB PHE 107 8.191 -1.520 -1.440 828 HD1 PHE 107 1HD PHE 107 6.872 -3.134 -2.791 829 HD2 PHE 107 2HD PHE 107 8.987 0.143 -4.599 830 HE1 PHE 107 1HE PHE 107 6.690 -4.243 -5.045 831 HE2 PHE 107 2HE PHE 107 8.885 -0.988 -6.805 832 HZ PHE 107 HZ PHE 107 7.714 -3.157 -7.035 833 H TYR 108 H TYR 108 5.785 -0.524 0.444 834 HA TYR 108 HA TYR 108 3.836 -2.568 -0.526 835 HB2 TYR 108 1HB TYR 108 5.231 -2.063 2.109 836 HB3 TYR 108 2HB TYR 108 3.704 -2.925 2.053 837 HD1 TYR 108 1HD TYR 108 6.660 -3.098 -0.345 838 HD2 TYR 108 2HD TYR 108 4.192 -5.152 2.539 839 HE1 TYR 108 1HE TYR 108 7.623 -5.208 -1.054 840 HE2 TYR 108 2HE TYR 108 5.287 -7.279 1.942 841 HH TYR 108 HH TYR 108 7.288 -8.181 0.824 842 H ASN 109 H ASN 109 4.029 0.303 1.652 843 HA ASN 109 HA ASN 109 1.145 0.349 1.975 844 HB2 ASN 109 1HB ASN 109 1.446 2.447 3.121 845 HB3 ASN 109 2HB ASN 109 2.588 1.252 3.708 846 HD21 ASN 109 1HD2 ASN 109 4.649 2.195 4.124 847 HD22 ASN 109 2HD2 ASN 109 5.217 3.566 3.246 848 H SER 110 H SER 110 3.177 1.454 -0.548 849 HA SER 110 HA SER 110 0.978 2.749 -2.011 850 HB2 SER 110 1HB SER 110 1.997 4.652 -1.112 851 HB3 SER 110 2HB SER 110 3.598 3.945 -1.066 852 HG SER 110 HG SER 110 3.855 4.285 -3.221 853 H GLY 111 H GLY 111 1.966 3.016 -4.421 854 HA2 GLY 111 1HA GLY 111 3.921 1.914 -5.738 855 HA3 GLY 111 2HA GLY 111 3.264 0.402 -5.110 856 HA PRO 112 HA PRO 112 0.411 0.299 -8.460 857 HB2 PRO 112 1HB PRO 112 -1.968 -0.609 -7.399 858 HB3 PRO 112 2HB PRO 112 -0.524 -1.646 -7.566 859 HG2 PRO 112 1HG PRO 112 -1.427 -0.072 -5.124 860 HG3 PRO 112 2HG PRO 112 -0.958 -1.796 -5.197 861 HD2 PRO 112 1HD PRO 112 0.804 0.083 -4.415 862 HD3 PRO 112 2HD PRO 112 1.344 -1.247 -5.485 863 H SER 113 H SER 113 -1.541 1.358 -9.373 864 HA SER 113 HA SER 113 -2.634 3.551 -7.709 865 HB2 SER 113 1HB SER 113 -0.601 4.105 -9.407 866 HB3 SER 113 2HB SER 113 -1.978 4.308 -10.505 867 HG SER 113 HG SER 113 -2.816 5.849 -9.147 868 H SER 114 H SER 114 -4.425 2.236 -7.473 869 HA SER 114 HA SER 114 -5.963 1.426 -9.849 870 HB2 SER 114 1HB SER 114 -7.496 0.616 -7.933 871 HB3 SER 114 2HB SER 114 -5.943 -0.200 -8.139 872 HG SER 114 HG SER 114 -6.331 0.250 -5.994 873 H GLY 115 H GLY 115 -8.330 2.228 -9.885 874 HA2 GLY 115 1HA GLY 115 -8.876 4.716 -8.492 875 HA3 GLY 115 2HA GLY 115 -8.693 4.845 -10.258 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -84.444 19.450 49.729 2 HA2 GLY 1 1HA GLY 1 -82.129 18.642 48.042 3 HA3 GLY 1 2HA GLY 1 -82.314 20.246 48.797 4 H SER 2 H SER 2 -80.079 19.592 49.813 5 HA SER 2 HA SER 2 -80.509 18.581 52.458 6 HB2 SER 2 1HB SER 2 -80.058 16.507 50.965 7 HB3 SER 2 2HB SER 2 -78.438 17.188 50.705 8 HG SER 2 HG SER 2 -78.473 15.771 52.506 9 H SER 3 H SER 3 -78.064 18.729 53.467 10 HA SER 3 HA SER 3 -76.311 20.650 52.247 11 HB2 SER 3 1HB SER 3 -78.243 22.062 53.180 12 HB3 SER 3 2HB SER 3 -77.779 21.483 54.792 13 HG SER 3 HG SER 3 -76.813 23.509 54.179 14 H GLY 4 H GLY 4 -74.482 21.063 53.933 15 HA2 GLY 4 1HA GLY 4 -73.988 19.916 56.306 16 HA3 GLY 4 2HA GLY 4 -73.764 18.541 55.198 17 H SER 5 H SER 5 -71.596 19.399 56.642 18 HA SER 5 HA SER 5 -69.789 20.483 54.575 19 HB2 SER 5 1HB SER 5 -69.845 21.334 57.510 20 HB3 SER 5 2HB SER 5 -68.705 21.890 56.271 21 HG SER 5 HG SER 5 -70.446 23.376 56.632 22 H SER 6 H SER 6 -67.458 19.763 55.082 23 HA SER 6 HA SER 6 -67.138 17.787 57.180 24 HB2 SER 6 1HB SER 6 -66.391 16.034 55.484 25 HB3 SER 6 2HB SER 6 -68.135 16.305 55.601 26 HG SER 6 HG SER 6 -68.090 17.450 53.717 27 H GLY 7 H GLY 7 -64.854 17.082 57.299 28 HA2 GLY 7 1HA GLY 7 -63.035 19.293 56.643 29 HA3 GLY 7 2HA GLY 7 -62.686 17.846 57.616 30 H LYS 8 H LYS 8 -62.866 19.149 54.358 31 HA LYS 8 HA LYS 8 -62.411 16.671 52.965 32 HB2 LYS 8 1HB LYS 8 -63.477 18.871 52.146 33 HB3 LYS 8 2HB LYS 8 -61.855 19.457 51.873 34 HG2 LYS 8 1HG LYS 8 -63.212 17.014 50.629 35 HG3 LYS 8 2HG LYS 8 -62.938 18.557 49.831 36 HD2 LYS 8 1HD LYS 8 -60.791 16.584 50.689 37 HD3 LYS 8 2HD LYS 8 -61.372 16.833 49.044 38 HE2 LYS 8 1HE LYS 8 -60.375 18.962 48.832 39 HE3 LYS 8 2HE LYS 8 -60.296 19.198 50.585 40 HZ1 LYS 8 3HZ LYS 8 -58.656 17.480 50.726 41 HZ2 LYS 8 1HZ LYS 8 -58.132 18.735 49.805 42 HZ3 LYS 8 2HZ LYS 8 -58.606 17.308 49.099 43 H TRP 9 H TRP 9 -60.704 15.790 54.230 44 HA TRP 9 HA TRP 9 -58.101 16.876 54.536 45 HB2 TRP 9 1HB TRP 9 -57.574 14.612 55.332 46 HB3 TRP 9 2HB TRP 9 -59.010 15.290 56.055 47 HD1 TRP 9 HD TRP 9 -61.369 14.122 55.503 48 HE1 TRP 9 1HE TRP 9 -61.972 11.791 54.673 49 HE3 TRP 9 3HE TRP 9 -56.766 12.642 53.939 50 HZ2 TRP 9 2HZ TRP 9 -60.617 9.523 53.470 51 HZ3 TRP 9 3HZ TRP 9 -56.412 10.336 53.054 52 HH2 TRP 9 HH TRP 9 -58.338 8.789 52.789 53 H GLY 10 H GLY 10 -56.188 15.085 53.773 54 HA2 GLY 10 1HA GLY 10 -56.367 14.485 50.948 55 HA3 GLY 10 2HA GLY 10 -55.285 15.843 51.351 56 H LEU 11 H LEU 11 -54.049 13.750 50.233 57 HA LEU 11 HA LEU 11 -52.797 12.188 52.439 58 HB2 LEU 11 1HB LEU 11 -53.127 11.484 49.478 59 HB3 LEU 11 2HB LEU 11 -52.160 10.593 50.634 60 HG LEU 11 HG LEU 11 -54.346 10.314 52.013 61 HD11 LEU 11 1HD1 LEU 11 -55.881 11.769 50.759 62 HD12 LEU 11 2HD1 LEU 11 -56.379 10.105 50.526 63 HD13 LEU 11 3HD1 LEU 11 -55.487 10.933 49.236 64 HD21 LEU 11 3HD2 LEU 11 -53.127 8.483 50.918 65 HD22 LEU 11 1HD2 LEU 11 -53.919 8.857 49.369 66 HD23 LEU 11 2HD2 LEU 11 -54.869 8.260 50.745 67 H ARG 12 H ARG 12 -50.491 11.532 51.769 68 HA ARG 12 HA ARG 12 -49.052 13.792 50.476 69 HB2 ARG 12 1HB ARG 12 -48.814 13.860 52.912 70 HB3 ARG 12 2HB ARG 12 -48.278 12.187 52.974 71 HG2 ARG 12 1HG ARG 12 -46.937 14.543 51.589 72 HG3 ARG 12 2HG ARG 12 -46.547 13.990 53.234 73 HD2 ARG 12 1HD ARG 12 -45.935 12.843 50.585 74 HD3 ARG 12 2HD ARG 12 -44.847 13.151 51.932 75 HE ARG 12 HE ARG 12 -46.778 10.863 51.647 76 HH11 ARG 12 1HH1 ARG 12 -43.797 12.039 53.203 77 HH12 ARG 12 2HH1 ARG 12 -43.234 10.462 53.602 78 HH21 ARG 12 1HH2 ARG 12 -46.002 8.801 52.103 79 HH22 ARG 12 2HH2 ARG 12 -44.560 8.559 53.005 80 H LEU 13 H LEU 13 -47.839 13.079 48.778 81 HA LEU 13 HA LEU 13 -46.853 10.324 48.644 82 HB2 LEU 13 1HB LEU 13 -49.240 11.144 47.281 83 HB3 LEU 13 2HB LEU 13 -47.995 11.209 46.072 84 HG LEU 13 HG LEU 13 -49.126 9.087 46.020 85 HD11 LEU 13 1HD1 LEU 13 -46.328 8.622 47.143 86 HD12 LEU 13 2HD1 LEU 13 -46.740 9.010 45.447 87 HD13 LEU 13 3HD1 LEU 13 -47.288 7.502 46.172 88 HD21 LEU 13 3HD2 LEU 13 -48.222 8.547 48.876 89 HD22 LEU 13 1HD2 LEU 13 -49.179 7.490 47.826 90 HD23 LEU 13 2HD2 LEU 13 -49.865 9.019 48.395 91 H GLN 14 H GLN 14 -45.547 10.346 46.291 92 HA GLN 14 HA GLN 14 -44.356 12.804 45.544 93 HB2 GLN 14 1HB GLN 14 -42.033 12.189 46.353 94 HB3 GLN 14 2HB GLN 14 -43.124 12.761 47.582 95 HG2 GLN 14 1HG GLN 14 -42.733 9.765 47.086 96 HG3 GLN 14 2HG GLN 14 -41.595 10.688 48.057 97 HE21 GLN 14 1HE2 GLN 14 -43.388 12.461 49.399 98 HE22 GLN 14 2HE2 GLN 14 -44.335 11.466 50.492 99 H GLU 15 H GLU 15 -42.096 11.972 44.397 100 HA GLU 15 HA GLU 15 -42.966 10.183 42.315 101 HB2 GLU 15 1HB GLU 15 -41.115 10.944 41.091 102 HB3 GLU 15 2HB GLU 15 -41.969 12.313 41.810 103 HG2 GLU 15 1HG GLU 15 -40.320 12.132 43.754 104 HG3 GLU 15 2HG GLU 15 -39.395 11.036 42.717 105 H LYS 16 H LYS 16 -40.663 9.061 41.553 106 HA LYS 16 HA LYS 16 -40.643 6.696 43.328 107 HB2 LYS 16 1HB LYS 16 -39.588 7.314 40.535 108 HB3 LYS 16 2HB LYS 16 -39.031 5.889 41.385 109 HG2 LYS 16 1HG LYS 16 -40.900 5.373 39.863 110 HG3 LYS 16 2HG LYS 16 -41.257 4.963 41.542 111 HD2 LYS 16 1HD LYS 16 -42.665 6.933 41.791 112 HD3 LYS 16 2HD LYS 16 -42.220 7.504 40.162 113 HE2 LYS 16 1HE LYS 16 -43.361 5.566 39.173 114 HE3 LYS 16 2HE LYS 16 -43.679 4.903 40.788 115 HZ1 LYS 16 3HZ LYS 16 -45.608 6.068 39.942 116 HZ2 LYS 16 1HZ LYS 16 -44.751 7.461 39.757 117 HZ3 LYS 16 2HZ LYS 16 -45.021 6.858 41.260 118 HA PRO 17 HA PRO 17 -36.913 7.748 45.359 119 HB2 PRO 17 1HB PRO 17 -35.655 5.339 45.795 120 HB3 PRO 17 2HB PRO 17 -37.172 5.806 46.622 121 HG2 PRO 17 1HG PRO 17 -36.858 4.109 44.122 122 HG3 PRO 17 2HG PRO 17 -37.817 3.738 45.594 123 HD2 PRO 17 1HD PRO 17 -38.971 4.826 43.384 124 HD3 PRO 17 2HD PRO 17 -39.472 5.341 45.023 125 H ALA 18 H ALA 18 -34.500 7.638 45.175 126 HA ALA 18 HA ALA 18 -33.645 8.286 42.571 127 HB1 ALA 18 1HB ALA 18 -31.984 7.476 45.003 128 HB2 ALA 18 2HB ALA 18 -31.377 8.330 43.570 129 HB3 ALA 18 3HB ALA 18 -32.555 9.124 44.633 130 H LEU 19 H LEU 19 -32.048 7.258 41.242 131 HA LEU 19 HA LEU 19 -31.778 4.336 41.456 132 HB2 LEU 19 1HB LEU 19 -32.168 4.205 38.982 133 HB3 LEU 19 2HB LEU 19 -33.571 4.463 39.978 134 HG LEU 19 HG LEU 19 -33.523 5.622 37.778 135 HD11 LEU 19 1HD1 LEU 19 -34.686 7.572 38.458 136 HD12 LEU 19 2HD1 LEU 19 -33.900 7.616 40.034 137 HD13 LEU 19 3HD1 LEU 19 -35.040 6.316 39.653 138 HD21 LEU 19 3HD2 LEU 19 -31.193 6.425 37.744 139 HD22 LEU 19 1HD2 LEU 19 -31.573 7.592 39.029 140 HD23 LEU 19 2HD2 LEU 19 -32.361 7.715 37.450 141 H LEU 20 H LEU 20 -30.133 3.592 39.756 142 HA LEU 20 HA LEU 20 -27.701 5.204 40.195 143 HB2 LEU 20 1HB LEU 20 -28.124 2.434 38.984 144 HB3 LEU 20 2HB LEU 20 -26.556 3.176 39.271 145 HG LEU 20 HG LEU 20 -28.564 2.431 41.442 146 HD11 LEU 20 1HD1 LEU 20 -27.530 0.478 40.347 147 HD12 LEU 20 2HD1 LEU 20 -26.952 0.662 42.011 148 HD13 LEU 20 3HD1 LEU 20 -25.914 1.148 40.650 149 HD21 LEU 20 3HD2 LEU 20 -26.677 2.881 43.013 150 HD22 LEU 20 1HD2 LEU 20 -27.217 4.341 42.188 151 HD23 LEU 20 2HD2 LEU 20 -25.721 3.530 41.662 152 H PHE 21 H PHE 21 -26.142 5.381 38.397 153 HA PHE 21 HA PHE 21 -27.310 6.753 36.186 154 HB2 PHE 21 1HB PHE 21 -24.487 5.783 36.814 155 HB3 PHE 21 2HB PHE 21 -24.851 6.690 35.373 156 HD1 PHE 21 1HD PHE 21 -25.569 9.060 35.456 157 HD2 PHE 21 2HD PHE 21 -24.448 6.913 39.031 158 HE1 PHE 21 1HE PHE 21 -25.361 11.202 36.684 159 HE2 PHE 21 2HE PHE 21 -24.255 9.061 40.251 160 HZ PHE 21 HZ PHE 21 -24.709 11.207 39.083 161 HA PRO 22 HA PRO 22 -27.797 3.393 33.341 162 HB2 PRO 22 1HB PRO 22 -27.574 4.587 30.889 163 HB3 PRO 22 2HB PRO 22 -28.899 4.984 32.020 164 HG2 PRO 22 1HG PRO 22 -26.282 6.473 31.627 165 HG3 PRO 22 2HG PRO 22 -27.944 7.150 31.620 166 HD2 PRO 22 1HD PRO 22 -26.366 7.190 33.840 167 HD3 PRO 22 2HD PRO 22 -28.133 6.936 33.969 168 H GLY 23 H GLY 23 -26.696 2.407 31.284 169 HA2 GLY 23 1HA GLY 23 -24.027 1.658 32.000 170 HA3 GLY 23 2HA GLY 23 -24.900 1.204 30.520 171 H MET 24 H MET 24 -22.280 1.623 30.256 172 HA MET 24 HA MET 24 -21.353 4.216 29.797 173 HB2 MET 24 1HB MET 24 -20.520 1.567 28.519 174 HB3 MET 24 2HB MET 24 -19.629 3.084 28.372 175 HG2 MET 24 1HG MET 24 -18.554 1.869 30.093 176 HG3 MET 24 2HG MET 24 -19.440 3.183 30.863 177 HE1 MET 24 3HE MET 24 -18.250 1.206 32.701 178 HE2 MET 24 1HE MET 24 -19.449 2.377 33.290 179 HE3 MET 24 2HE MET 24 -19.586 0.664 33.745 180 H ALA 25 H ALA 25 -21.476 5.635 28.105 181 HA ALA 25 HA ALA 25 -22.913 4.836 25.626 182 HB1 ALA 25 1HB ALA 25 -24.469 5.967 27.193 183 HB2 ALA 25 2HB ALA 25 -23.359 7.358 27.285 184 HB3 ALA 25 3HB ALA 25 -24.155 6.946 25.749 185 H ALA 26 H ALA 26 -20.081 5.016 26.216 186 HA ALA 26 HA ALA 26 -18.964 7.484 25.293 187 HB1 ALA 26 1HB ALA 26 -17.812 4.660 25.418 188 HB2 ALA 26 2HB ALA 26 -16.862 6.139 25.195 189 HB3 ALA 26 3HB ALA 26 -17.732 5.874 26.713 190 H SER 27 H SER 27 -17.348 7.221 23.206 191 HA SER 27 HA SER 27 -19.141 6.551 20.952 192 HB2 SER 27 1HB SER 27 -17.966 8.758 21.129 193 HB3 SER 27 2HB SER 27 -16.421 7.906 20.974 194 HG SER 27 HG SER 27 -18.558 7.788 19.082 195 H THR 28 H THR 28 -17.974 5.568 19.032 196 HA THR 28 HA THR 28 -16.023 3.483 19.767 197 HB THR 28 HB THR 28 -18.663 2.923 18.320 198 HG1 THR 28 1HG THR 28 -19.429 2.200 20.185 199 HG21 THR 28 3HG2 THR 28 -16.425 1.145 19.386 200 HG22 THR 28 1HG2 THR 28 -16.903 1.361 17.680 201 HG23 THR 28 2HG2 THR 28 -18.000 0.546 18.818 202 H VAL 29 H VAL 29 -14.713 2.893 18.002 203 HA VAL 29 HA VAL 29 -14.268 4.873 16.033 204 HB VAL 29 HB VAL 29 -13.155 2.041 16.094 205 HG11 VAL 29 1HG1 VAL 29 -11.984 4.685 15.103 206 HG12 VAL 29 2HG1 VAL 29 -11.127 3.133 15.148 207 HG13 VAL 29 3HG1 VAL 29 -12.522 3.331 14.088 208 HG21 VAL 29 3HG2 VAL 29 -12.033 4.434 17.612 209 HG22 VAL 29 1HG2 VAL 29 -12.855 3.052 18.368 210 HG23 VAL 29 2HG2 VAL 29 -11.348 2.807 17.519 211 H GLN 30 H GLN 30 -14.821 5.015 13.902 212 HA GLN 30 HA GLN 30 -16.926 3.298 12.849 213 HB2 GLN 30 1HB GLN 30 -15.365 5.631 11.681 214 HB3 GLN 30 2HB GLN 30 -16.640 4.755 10.824 215 HG2 GLN 30 1HG GLN 30 -18.278 5.376 12.587 216 HG3 GLN 30 2HG GLN 30 -17.023 6.282 13.441 217 HE21 GLN 30 1HE2 GLN 30 -18.289 8.353 13.182 218 HE22 GLN 30 2HE2 GLN 30 -18.258 9.099 11.593 219 H VAL 31 H VAL 31 -16.669 2.008 10.770 220 HA VAL 31 HA VAL 31 -14.196 0.574 10.783 221 HB VAL 31 HB VAL 31 -16.470 0.494 8.788 222 HG11 VAL 31 1HG1 VAL 31 -15.711 -1.880 8.537 223 HG12 VAL 31 2HG1 VAL 31 -14.492 -0.707 8.046 224 HG13 VAL 31 3HG1 VAL 31 -14.338 -1.509 9.621 225 HG21 VAL 31 3HG2 VAL 31 -16.167 -1.078 11.395 226 HG22 VAL 31 1HG2 VAL 31 -17.452 0.085 11.017 227 HG23 VAL 31 2HG2 VAL 31 -17.364 -1.421 10.125 228 H ALA 32 H ALA 32 -12.613 0.557 9.102 229 HA ALA 32 HA ALA 32 -12.691 2.683 7.061 230 HB1 ALA 32 1HB ALA 32 -10.357 2.119 8.959 231 HB2 ALA 32 2HB ALA 32 -10.350 3.259 7.598 232 HB3 ALA 32 3HB ALA 32 -11.395 3.567 8.994 233 H GLY 33 H GLY 33 -10.949 2.178 5.383 234 HA2 GLY 33 1HA GLY 33 -10.316 -0.741 5.164 235 HA3 GLY 33 2HA GLY 33 -11.115 0.151 3.869 236 H ARG 34 H ARG 34 -8.169 0.216 5.940 237 HA ARG 34 HA ARG 34 -6.508 0.845 3.592 238 HB2 ARG 34 1HB ARG 34 -7.072 2.768 5.828 239 HB3 ARG 34 2HB ARG 34 -5.372 2.580 5.422 240 HG2 ARG 34 1HG ARG 34 -5.687 3.148 3.138 241 HG3 ARG 34 2HG ARG 34 -7.439 3.173 3.293 242 HD2 ARG 34 1HD ARG 34 -5.472 5.068 4.645 243 HD3 ARG 34 2HD ARG 34 -6.522 5.464 3.284 244 HE ARG 34 HE ARG 34 -7.201 5.388 6.095 245 HH11 ARG 34 1HH1 ARG 34 -8.730 4.863 2.857 246 HH12 ARG 34 2HH1 ARG 34 -10.316 5.183 3.512 247 HH21 ARG 34 1HH2 ARG 34 -9.300 5.879 6.766 248 HH22 ARG 34 2HH2 ARG 34 -10.652 5.687 5.696 249 H LYS 35 H LYS 35 -4.161 0.721 4.244 250 HA LYS 35 HA LYS 35 -3.487 -0.884 6.635 251 HB2 LYS 35 1HB LYS 35 -3.069 -1.738 3.712 252 HB3 LYS 35 2HB LYS 35 -2.176 -2.439 5.053 253 HG2 LYS 35 1HG LYS 35 -4.375 -3.060 6.138 254 HG3 LYS 35 2HG LYS 35 -5.156 -2.540 4.629 255 HD2 LYS 35 1HD LYS 35 -3.834 -4.225 3.367 256 HD3 LYS 35 2HD LYS 35 -3.070 -4.742 4.882 257 HE2 LYS 35 1HE LYS 35 -4.866 -6.267 4.397 258 HE3 LYS 35 2HE LYS 35 -5.314 -5.322 5.812 259 HZ1 LYS 35 3HZ LYS 35 -7.059 -5.639 4.018 260 HZ2 LYS 35 1HZ LYS 35 -6.217 -4.603 3.096 261 HZ3 LYS 35 2HZ LYS 35 -6.838 -4.082 4.525 262 H ASP 36 H ASP 36 -0.986 -1.322 6.296 263 HA ASP 36 HA ASP 36 1.080 -0.473 6.522 264 HB2 ASP 36 1HB ASP 36 0.243 0.691 3.846 265 HB3 ASP 36 2HB ASP 36 1.874 0.711 4.487 266 H TYR 37 H TYR 37 -0.713 1.119 8.020 267 HA TYR 37 HA TYR 37 -0.280 3.872 7.576 268 HB2 TYR 37 1HB TYR 37 -0.733 3.228 10.418 269 HB3 TYR 37 2HB TYR 37 -1.580 4.252 9.333 270 HD1 TYR 37 2HD TYR 37 -2.716 2.744 7.235 271 HD2 TYR 37 1HD TYR 37 -1.990 1.454 11.291 272 HE1 TYR 37 2HE TYR 37 -4.827 1.465 7.252 273 HE2 TYR 37 1HE TYR 37 -3.902 -0.095 11.170 274 HH TYR 37 HH TYR 37 -5.916 -0.360 8.191 275 HA PRO 38 HA PRO 38 3.217 4.060 10.754 276 HB2 PRO 38 1HB PRO 38 4.341 1.851 11.876 277 HB3 PRO 38 2HB PRO 38 2.854 2.606 12.535 278 HG2 PRO 38 1HG PRO 38 3.048 0.229 10.641 279 HG3 PRO 38 2HG PRO 38 2.091 0.350 12.148 280 HD2 PRO 38 1HD PRO 38 0.934 0.840 9.754 281 HD3 PRO 38 2HD PRO 38 0.543 1.791 11.203 282 H ALA 39 H ALA 39 5.104 4.519 9.857 283 HA ALA 39 HA ALA 39 6.010 3.332 7.399 284 HB1 ALA 39 1HB ALA 39 7.952 4.867 7.719 285 HB2 ALA 39 2HB ALA 39 6.426 5.703 7.978 286 HB3 ALA 39 3HB ALA 39 7.425 5.189 9.374 287 H LEU 40 H LEU 40 8.336 2.651 7.186 288 HA LEU 40 HA LEU 40 9.929 1.092 7.362 289 HB2 LEU 40 1HB LEU 40 9.752 1.705 10.301 290 HB3 LEU 40 2HB LEU 40 11.093 0.889 9.500 291 HG LEU 40 HG LEU 40 10.243 3.804 9.180 292 HD11 LEU 40 1HD1 LEU 40 11.395 3.287 11.297 293 HD12 LEU 40 2HD1 LEU 40 12.410 4.283 10.237 294 HD13 LEU 40 3HD1 LEU 40 12.730 2.532 10.381 295 HD21 LEU 40 3HD2 LEU 40 12.554 2.303 7.854 296 HD22 LEU 40 1HD2 LEU 40 12.265 4.065 7.797 297 HD23 LEU 40 2HD2 LEU 40 11.109 2.965 7.055 298 H LEU 41 H LEU 41 8.509 -0.547 6.624 299 HA LEU 41 HA LEU 41 7.081 -2.218 8.527 300 HB2 LEU 41 1HB LEU 41 7.715 -2.501 5.567 301 HB3 LEU 41 2HB LEU 41 6.724 -3.658 6.439 302 HG LEU 41 HG LEU 41 6.052 -0.683 6.263 303 HD11 LEU 41 1HD1 LEU 41 5.989 -1.920 4.021 304 HD12 LEU 41 2HD1 LEU 41 4.512 -1.117 4.554 305 HD13 LEU 41 3HD1 LEU 41 4.622 -2.862 4.715 306 HD21 LEU 41 3HD2 LEU 41 4.429 -3.111 7.162 307 HD22 LEU 41 1HD2 LEU 41 3.765 -1.487 6.903 308 HD23 LEU 41 2HD2 LEU 41 4.962 -1.749 8.183 309 HA PRO 42 HA PRO 42 10.391 -4.913 9.576 310 HB2 PRO 42 1HB PRO 42 9.202 -7.347 9.988 311 HB3 PRO 42 2HB PRO 42 8.935 -5.941 11.063 312 HG2 PRO 42 1HG PRO 42 7.186 -6.878 8.761 313 HG3 PRO 42 2HG PRO 42 6.697 -6.462 10.429 314 HD2 PRO 42 1HD PRO 42 6.490 -4.691 8.377 315 HD3 PRO 42 2HD PRO 42 6.958 -4.134 10.004 316 H LEU 43 H LEU 43 11.892 -6.388 8.615 317 HA LEU 43 HA LEU 43 11.188 -7.860 6.166 318 HB2 LEU 43 1HB LEU 43 12.126 -6.608 4.655 319 HB3 LEU 43 2HB LEU 43 11.773 -5.321 5.760 320 HG LEU 43 HG LEU 43 14.166 -5.641 6.688 321 HD11 LEU 43 1HD1 LEU 43 15.477 -7.248 5.767 322 HD12 LEU 43 2HD1 LEU 43 15.057 -6.734 4.102 323 HD13 LEU 43 3HD1 LEU 43 14.011 -7.856 4.948 324 HD21 LEU 43 3HD2 LEU 43 13.785 -4.777 3.785 325 HD22 LEU 43 1HD2 LEU 43 15.091 -4.249 4.891 326 HD23 LEU 43 2HD2 LEU 43 13.401 -3.816 5.211 327 H ASN 44 H ASN 44 12.415 -9.619 5.888 328 HA ASN 44 HA ASN 44 14.150 -10.428 8.140 329 HB2 ASN 44 1HB ASN 44 12.311 -11.944 7.450 330 HB3 ASN 44 2HB ASN 44 12.982 -12.028 5.819 331 HD21 ASN 44 1HD2 ASN 44 12.891 -14.413 6.483 332 HD22 ASN 44 2HD2 ASN 44 14.162 -15.081 7.480 333 H GLU 45 H GLU 45 16.219 -9.955 7.901 334 HA GLU 45 HA GLU 45 17.606 -9.459 5.471 335 HB2 GLU 45 1HB GLU 45 19.615 -9.554 7.001 336 HB3 GLU 45 2HB GLU 45 18.358 -8.375 7.381 337 HG2 GLU 45 1HG GLU 45 17.481 -9.768 9.185 338 HG3 GLU 45 2HG GLU 45 18.549 -11.101 8.742 339 H SER 46 H SER 46 17.046 -12.524 7.239 340 HA SER 46 HA SER 46 19.274 -13.893 5.926 341 HB2 SER 46 1HB SER 46 16.925 -14.864 7.587 342 HB3 SER 46 2HB SER 46 18.186 -15.900 6.915 343 HG SER 46 HG SER 46 19.087 -15.440 8.721 344 H GLU 47 H GLU 47 16.147 -12.945 4.916 345 HA GLU 47 HA GLU 47 15.908 -15.165 2.963 346 HB2 GLU 47 1HB GLU 47 14.065 -14.528 4.546 347 HB3 GLU 47 2HB GLU 47 13.961 -12.955 3.766 348 HG2 GLU 47 1HG GLU 47 12.201 -14.548 3.090 349 HG3 GLU 47 2HG GLU 47 13.156 -13.990 1.723 350 H LEU 48 H LEU 48 17.666 -12.508 2.973 351 HA LEU 48 HA LEU 48 16.778 -11.441 0.347 352 HB2 LEU 48 1HB LEU 48 19.000 -10.316 2.025 353 HB3 LEU 48 2HB LEU 48 18.039 -9.531 0.755 354 HG LEU 48 HG LEU 48 17.185 -10.215 3.561 355 HD11 LEU 48 1HD1 LEU 48 17.457 -7.534 2.138 356 HD12 LEU 48 2HD1 LEU 48 18.665 -8.236 3.238 357 HD13 LEU 48 3HD1 LEU 48 17.073 -7.812 3.853 358 HD21 LEU 48 3HD2 LEU 48 15.499 -9.174 1.264 359 HD22 LEU 48 1HD2 LEU 48 15.083 -8.940 2.977 360 HD23 LEU 48 2HD2 LEU 48 15.192 -10.570 2.333 361 H GLU 49 H GLU 49 18.642 -10.603 -0.975 362 HA GLU 49 HA GLU 49 20.796 -12.614 -1.376 363 HB2 GLU 49 1HB GLU 49 19.281 -11.048 -3.504 364 HB3 GLU 49 2HB GLU 49 20.582 -12.227 -3.743 365 HG2 GLU 49 1HG GLU 49 19.062 -13.953 -2.649 366 HG3 GLU 49 2HG GLU 49 17.765 -12.762 -2.745 367 H GLU 50 H GLU 50 22.856 -11.584 -1.562 368 HA GLU 50 HA GLU 50 22.924 -8.632 -1.798 369 HB2 GLU 50 1HB GLU 50 24.611 -8.471 -0.160 370 HB3 GLU 50 2HB GLU 50 23.227 -9.289 0.547 371 HG2 GLU 50 1HG GLU 50 24.367 -11.448 0.431 372 HG3 GLU 50 2HG GLU 50 25.705 -10.744 -0.496 373 H GLN 51 H GLN 51 25.235 -7.855 -2.310 374 HA GLN 51 HA GLN 51 26.675 -9.651 -4.128 375 HB2 GLN 51 1HB GLN 51 25.574 -6.922 -4.927 376 HB3 GLN 51 2HB GLN 51 26.753 -7.851 -5.860 377 HG2 GLN 51 1HG GLN 51 25.082 -9.694 -6.095 378 HG3 GLN 51 2HG GLN 51 23.879 -8.661 -5.322 379 HE21 GLN 51 1HE2 GLN 51 25.159 -6.214 -6.777 380 HE22 GLN 51 2HE2 GLN 51 24.530 -6.269 -8.377 381 H PHE 52 H PHE 52 28.640 -8.243 -4.955 382 HA PHE 52 HA PHE 52 29.754 -6.521 -2.837 383 HB2 PHE 52 1HB PHE 52 31.226 -8.808 -4.220 384 HB3 PHE 52 2HB PHE 52 31.862 -7.747 -2.966 385 HD1 PHE 52 2HD PHE 52 30.746 -7.816 -0.625 386 HD2 PHE 52 1HD PHE 52 30.027 -10.815 -3.655 387 HE1 PHE 52 2HE PHE 52 29.767 -9.310 1.072 388 HE2 PHE 52 1HE PHE 52 29.047 -12.299 -1.949 389 HZ PHE 52 HZ PHE 52 28.888 -11.562 0.405 390 H VAL 53 H VAL 53 31.693 -5.288 -3.804 391 HA VAL 53 HA VAL 53 31.373 -4.933 -6.739 392 HB VAL 53 HB VAL 53 31.896 -2.785 -4.681 393 HG11 VAL 53 1HG1 VAL 53 31.470 -1.234 -6.605 394 HG12 VAL 53 2HG1 VAL 53 32.916 -2.216 -6.799 395 HG13 VAL 53 3HG1 VAL 53 31.424 -2.637 -7.690 396 HG21 VAL 53 3HG2 VAL 53 29.332 -3.389 -6.226 397 HG22 VAL 53 1HG2 VAL 53 29.549 -3.464 -4.463 398 HG23 VAL 53 2HG2 VAL 53 29.625 -1.908 -5.281 399 H LYS 54 H LYS 54 33.128 -5.543 -7.672 400 HA LYS 54 HA LYS 54 35.730 -5.564 -6.193 401 HB2 LYS 54 1HB LYS 54 34.448 -7.584 -7.632 402 HB3 LYS 54 2HB LYS 54 35.612 -6.988 -8.796 403 HG2 LYS 54 1HG LYS 54 36.195 -7.964 -5.964 404 HG3 LYS 54 2HG LYS 54 36.432 -8.901 -7.428 405 HD2 LYS 54 1HD LYS 54 37.957 -6.375 -6.669 406 HD3 LYS 54 2HD LYS 54 38.551 -8.015 -6.494 407 HE2 LYS 54 1HE LYS 54 37.824 -6.690 -9.149 408 HE3 LYS 54 2HE LYS 54 39.452 -6.800 -8.492 409 HZ1 LYS 54 3HZ LYS 54 39.287 -9.204 -8.622 410 HZ2 LYS 54 1HZ LYS 54 39.022 -8.527 -10.097 411 HZ3 LYS 54 2HZ LYS 54 37.758 -9.106 -9.225 412 H GLY 55 H GLY 55 34.230 -3.368 -7.922 413 HA2 GLY 55 1HA GLY 55 35.408 -1.406 -8.731 414 HA3 GLY 55 2HA GLY 55 36.686 -2.466 -9.387 415 H HIS 56 H HIS 56 33.393 -1.302 -9.809 416 HA HIS 56 HA HIS 56 33.285 -2.423 -12.563 417 HB2 HIS 56 1HB HIS 56 30.936 -2.262 -10.654 418 HB3 HIS 56 2HB HIS 56 30.958 -2.976 -12.271 419 HD1 HIS 56 1HD HIS 56 33.663 -4.719 -11.867 420 HD2 HIS 56 2HD HIS 56 30.499 -4.365 -9.118 421 HE1 HIS 56 1HE HIS 56 33.789 -6.760 -10.359 422 H GLY 57 H GLY 57 34.068 0.223 -11.276 423 HA2 GLY 57 1HA GLY 57 33.274 2.033 -13.171 424 HA3 GLY 57 2HA GLY 57 32.200 2.255 -11.761 425 HA PRO 58 HA PRO 58 36.559 3.949 -10.894 426 HB2 PRO 58 1HB PRO 58 36.169 6.655 -11.004 427 HB3 PRO 58 2HB PRO 58 36.504 5.679 -12.466 428 HG2 PRO 58 1HG PRO 58 33.803 6.594 -11.414 429 HG3 PRO 58 2HG PRO 58 34.442 6.732 -13.081 430 HD2 PRO 58 1HD PRO 58 32.791 4.686 -12.303 431 HD3 PRO 58 2HD PRO 58 34.096 4.435 -13.498 432 H GLY 59 H GLY 59 37.186 5.053 -8.892 433 HA2 GLY 59 1HA GLY 59 35.236 4.689 -6.740 434 HA3 GLY 59 2HA GLY 59 36.941 5.154 -6.576 435 H GLY 60 H GLY 60 37.387 7.371 -7.695 436 HA2 GLY 60 1HA GLY 60 37.094 9.622 -7.934 437 HA3 GLY 60 2HA GLY 60 35.349 9.402 -7.788 438 H GLN 61 H GLN 61 34.820 8.571 -5.450 439 HA GLN 61 HA GLN 61 34.726 10.608 -3.638 440 HB2 GLN 61 1HB GLN 61 34.790 7.603 -3.155 441 HB3 GLN 61 2HB GLN 61 34.210 8.780 -1.974 442 HG2 GLN 61 1HG GLN 61 32.257 9.227 -3.151 443 HG3 GLN 61 2HG GLN 61 32.933 8.818 -4.719 444 HE21 GLN 61 1HE2 GLN 61 33.091 6.601 -5.388 445 HE22 GLN 61 2HE2 GLN 61 32.140 5.361 -4.595 446 H ALA 62 H ALA 62 36.505 11.760 -3.010 447 HA ALA 62 HA ALA 62 38.555 12.304 -2.207 448 HB1 ALA 62 1HB ALA 62 37.321 11.710 -0.144 449 HB2 ALA 62 2HB ALA 62 37.954 10.051 -0.259 450 HB3 ALA 62 3HB ALA 62 39.060 11.412 0.005 451 H THR 63 H THR 63 38.688 10.503 -4.452 452 HA THR 63 HA THR 63 40.066 9.152 -5.600 453 HB THR 63 HB THR 63 42.544 9.562 -5.247 454 HG1 THR 63 1HG THR 63 41.809 10.487 -2.932 455 HG21 THR 63 3HG2 THR 63 40.753 12.007 -5.568 456 HG22 THR 63 1HG2 THR 63 41.181 10.854 -6.853 457 HG23 THR 63 2HG2 THR 63 42.435 11.852 -6.102 458 H ASN 64 H ASN 64 38.733 7.864 -3.478 459 HA ASN 64 HA ASN 64 40.232 6.260 -1.840 460 HB2 ASN 64 1HB ASN 64 38.357 4.806 -1.635 461 HB3 ASN 64 2HB ASN 64 37.805 6.469 -1.677 462 HD21 ASN 64 1HD2 ASN 64 37.037 3.422 -2.741 463 HD22 ASN 64 2HD2 ASN 64 36.013 3.933 -4.093 464 H LYS 65 H LYS 65 42.005 5.282 -2.461 465 HA LYS 65 HA LYS 65 42.349 3.889 -4.920 466 HB2 LYS 65 1HB LYS 65 44.150 4.934 -3.527 467 HB3 LYS 65 2HB LYS 65 43.934 3.669 -2.320 468 HG2 LYS 65 1HG LYS 65 45.915 3.319 -3.706 469 HG3 LYS 65 2HG LYS 65 44.792 1.978 -3.871 470 HD2 LYS 65 1HD LYS 65 44.019 2.835 -6.043 471 HD3 LYS 65 2HD LYS 65 45.027 4.279 -5.882 472 HE2 LYS 65 1HE LYS 65 46.060 1.402 -5.977 473 HE3 LYS 65 2HE LYS 65 45.942 2.461 -7.388 474 HZ1 LYS 65 3HZ LYS 65 47.499 3.970 -6.339 475 HZ2 LYS 65 1HZ LYS 65 48.161 2.472 -6.469 476 HZ3 LYS 65 2HZ LYS 65 47.615 3.002 -5.011 477 H THR 66 H THR 66 40.532 2.912 -2.181 478 HA THR 66 HA THR 66 40.635 0.085 -3.042 479 HB THR 66 HB THR 66 40.130 -0.490 -0.697 480 HG1 THR 66 1HG THR 66 39.400 1.150 0.347 481 HG21 THR 66 3HG2 THR 66 42.495 -0.526 -1.492 482 HG22 THR 66 1HG2 THR 66 42.350 -0.152 0.240 483 HG23 THR 66 2HG2 THR 66 42.692 1.144 -0.913 484 H SER 67 H SER 67 38.733 -0.544 -3.891 485 HA SER 67 HA SER 67 36.509 1.225 -4.142 486 HB2 SER 67 1HB SER 67 36.742 -1.714 -4.886 487 HB3 SER 67 2HB SER 67 35.706 -0.486 -5.633 488 HG SER 67 HG SER 67 37.638 0.550 -6.364 489 H ASN 68 H ASN 68 36.692 0.859 -1.358 490 HA ASN 68 HA ASN 68 35.051 -1.294 -0.372 491 HB2 ASN 68 1HB ASN 68 35.657 1.404 0.927 492 HB3 ASN 68 2HB ASN 68 34.911 0.038 1.721 493 HD21 ASN 68 1HD2 ASN 68 36.371 -1.382 2.912 494 HD22 ASN 68 2HD2 ASN 68 38.071 -1.389 2.530 495 H CYS 69 H CYS 69 33.010 -1.373 -1.562 496 HA CYS 69 HA CYS 69 31.058 0.596 -0.704 497 HB2 CYS 69 1HB CYS 69 30.260 0.939 -3.085 498 HB3 CYS 69 2HB CYS 69 31.748 1.770 -2.640 499 HG CYS 69 HG CYS 69 33.225 -0.412 -3.554 500 H VAL 70 H VAL 70 28.830 -0.262 -1.033 501 HA VAL 70 HA VAL 70 28.719 -3.142 -1.704 502 HB VAL 70 HB VAL 70 27.693 -1.813 0.851 503 HG11 VAL 70 1HG1 VAL 70 27.514 -4.719 -0.051 504 HG12 VAL 70 2HG1 VAL 70 27.131 -4.122 1.576 505 HG13 VAL 70 3HG1 VAL 70 26.156 -3.600 0.216 506 HG21 VAL 70 3HG2 VAL 70 30.089 -2.160 1.090 507 HG22 VAL 70 1HG2 VAL 70 29.262 -3.419 2.011 508 HG23 VAL 70 2HG2 VAL 70 29.956 -3.809 0.428 509 H VAL 71 H VAL 71 26.526 -3.836 -2.314 510 HA VAL 71 HA VAL 71 24.566 -1.697 -2.766 511 HB VAL 71 HB VAL 71 24.163 -2.389 -5.018 512 HG11 VAL 71 1HG1 VAL 71 26.084 -1.489 -6.123 513 HG12 VAL 71 2HG1 VAL 71 25.974 -0.685 -4.546 514 HG13 VAL 71 3HG1 VAL 71 27.173 -1.964 -4.803 515 HG21 VAL 71 3HG2 VAL 71 25.633 -3.936 -6.262 516 HG22 VAL 71 1HG2 VAL 71 26.455 -4.381 -4.741 517 HG23 VAL 71 2HG2 VAL 71 24.725 -4.735 -4.978 518 H LEU 72 H LEU 72 22.463 -2.418 -2.548 519 HA LEU 72 HA LEU 72 22.122 -5.283 -1.808 520 HB2 LEU 72 1HB LEU 72 22.258 -3.369 0.060 521 HB3 LEU 72 2HB LEU 72 20.600 -3.062 -0.434 522 HG LEU 72 HG LEU 72 20.099 -5.516 0.072 523 HD11 LEU 72 1HD1 LEU 72 22.286 -6.563 -0.089 524 HD12 LEU 72 2HD1 LEU 72 21.914 -6.548 1.640 525 HD13 LEU 72 3HD1 LEU 72 22.996 -5.335 0.972 526 HD21 LEU 72 3HD2 LEU 72 21.346 -4.033 2.417 527 HD22 LEU 72 1HD2 LEU 72 20.023 -5.214 2.465 528 HD23 LEU 72 2HD2 LEU 72 19.757 -3.620 1.745 529 H LYS 73 H LYS 73 19.981 -6.133 -2.126 530 HA LYS 73 HA LYS 73 18.098 -4.510 -3.700 531 HB2 LYS 73 1HB LYS 73 19.566 -5.591 -5.335 532 HB3 LYS 73 2HB LYS 73 19.375 -7.149 -4.558 533 HG2 LYS 73 1HG LYS 73 16.853 -5.865 -5.547 534 HG3 LYS 73 2HG LYS 73 18.023 -6.334 -6.759 535 HD2 LYS 73 1HD LYS 73 18.019 -8.664 -5.982 536 HD3 LYS 73 2HD LYS 73 16.934 -8.238 -4.659 537 HE2 LYS 73 1HE LYS 73 15.510 -9.156 -6.279 538 HE3 LYS 73 2HE LYS 73 15.271 -7.409 -6.433 539 HZ1 LYS 73 3HZ LYS 73 16.969 -7.656 -8.335 540 HZ2 LYS 73 1HZ LYS 73 15.455 -8.307 -8.559 541 HZ3 LYS 73 2HZ LYS 73 16.746 -9.258 -8.180 542 H HIS 74 H HIS 74 16.026 -5.426 -3.674 543 HA HIS 74 HA HIS 74 15.477 -7.516 -1.581 544 HB2 HIS 74 1HB HIS 74 14.730 -4.903 -1.288 545 HB3 HIS 74 2HB HIS 74 13.390 -5.465 -2.237 546 HD1 HIS 74 1HD HIS 74 11.420 -6.385 -0.649 547 HD2 HIS 74 2HD HIS 74 15.318 -6.647 0.973 548 HE1 HIS 74 1HE HIS 74 11.175 -7.252 1.704 549 H VAL 75 H VAL 75 14.564 -9.321 -2.560 550 HA VAL 75 HA VAL 75 13.878 -9.344 -5.355 551 HB VAL 75 HB VAL 75 13.743 -11.350 -3.103 552 HG11 VAL 75 1HG1 VAL 75 13.280 -13.099 -4.791 553 HG12 VAL 75 2HG1 VAL 75 11.920 -12.000 -4.537 554 HG13 VAL 75 3HG1 VAL 75 12.943 -11.827 -5.980 555 HG21 VAL 75 3HG2 VAL 75 16.008 -10.763 -3.949 556 HG22 VAL 75 1HG2 VAL 75 15.584 -12.415 -4.343 557 HG23 VAL 75 2HG2 VAL 75 15.496 -11.187 -5.600 558 HA PRO 76 HA PRO 76 9.342 -9.817 -4.060 559 HB2 PRO 76 1HB PRO 76 8.482 -9.097 -1.540 560 HB3 PRO 76 2HB PRO 76 9.037 -10.734 -1.994 561 HG2 PRO 76 1HG PRO 76 10.652 -8.487 -0.795 562 HG3 PRO 76 2HG PRO 76 10.514 -10.181 -0.177 563 HD2 PRO 76 1HD PRO 76 12.585 -9.443 -1.633 564 HD3 PRO 76 2HD PRO 76 11.787 -11.001 -1.999 565 H SER 77 H SER 77 11.249 -7.053 -3.302 566 HA SER 77 HA SER 77 8.923 -5.248 -3.871 567 HB2 SER 77 1HB SER 77 10.056 -5.089 -1.601 568 HB3 SER 77 2HB SER 77 11.507 -4.531 -2.458 569 HG SER 77 HG SER 77 9.074 -3.237 -2.881 570 H GLY 78 H GLY 78 11.905 -6.500 -5.007 571 HA2 GLY 78 1HA GLY 78 13.120 -6.150 -6.919 572 HA3 GLY 78 2HA GLY 78 11.766 -5.204 -7.535 573 H ILE 79 H ILE 79 12.928 -3.915 -4.602 574 HA ILE 79 HA ILE 79 14.024 -1.559 -5.941 575 HB ILE 79 HB ILE 79 13.571 -2.305 -3.017 576 HG12 ILE 79 1HG1 ILE 79 12.119 -0.574 -5.059 577 HG13 ILE 79 2HG1 ILE 79 11.521 -1.997 -4.237 578 HG21 ILE 79 1HG2 ILE 79 14.080 -0.006 -2.405 579 HG22 ILE 79 2HG2 ILE 79 15.489 -0.714 -3.146 580 HG23 ILE 79 3HG2 ILE 79 14.474 0.406 -4.087 581 HD11 ILE 79 3HD1 ILE 79 11.521 -0.753 -2.085 582 HD12 ILE 79 1HD1 ILE 79 11.983 0.720 -2.991 583 HD13 ILE 79 2HD1 ILE 79 10.455 -0.072 -3.340 584 H VAL 80 H VAL 80 16.150 -0.846 -5.825 585 HA VAL 80 HA VAL 80 18.209 -2.672 -4.745 586 HB VAL 80 HB VAL 80 18.433 -1.186 -7.400 587 HG11 VAL 80 1HG1 VAL 80 20.379 -2.750 -7.701 588 HG12 VAL 80 2HG1 VAL 80 20.583 -1.671 -6.323 589 HG13 VAL 80 3HG1 VAL 80 20.107 -3.363 -6.068 590 HG21 VAL 80 3HG2 VAL 80 17.697 -4.088 -6.936 591 HG22 VAL 80 1HG2 VAL 80 16.739 -2.870 -7.803 592 HG23 VAL 80 2HG2 VAL 80 18.256 -3.448 -8.492 593 H VAL 81 H VAL 81 19.979 -1.509 -3.830 594 HA VAL 81 HA VAL 81 19.950 1.418 -4.103 595 HB VAL 81 HB VAL 81 18.330 0.876 -2.252 596 HG11 VAL 81 1HG1 VAL 81 19.264 0.346 -0.029 597 HG12 VAL 81 2HG1 VAL 81 19.401 -1.006 -1.172 598 HG13 VAL 81 3HG1 VAL 81 20.836 -0.046 -0.787 599 HG21 VAL 81 3HG2 VAL 81 20.724 2.544 -1.403 600 HG22 VAL 81 1HG2 VAL 81 19.376 3.083 -2.429 601 HG23 VAL 81 2HG2 VAL 81 19.081 2.620 -0.746 602 H LYS 82 H LYS 82 21.929 2.419 -3.332 603 HA LYS 82 HA LYS 82 24.175 0.524 -2.836 604 HB2 LYS 82 1HB LYS 82 24.202 2.883 -4.775 605 HB3 LYS 82 2HB LYS 82 25.538 1.810 -4.398 606 HG2 LYS 82 1HG LYS 82 24.903 0.774 -6.311 607 HG3 LYS 82 2HG LYS 82 23.820 -0.076 -5.229 608 HD2 LYS 82 1HD LYS 82 22.549 0.530 -7.132 609 HD3 LYS 82 2HD LYS 82 22.003 1.570 -5.841 610 HE2 LYS 82 1HE LYS 82 22.195 2.942 -7.759 611 HE3 LYS 82 2HE LYS 82 23.543 3.382 -6.716 612 HZ1 LYS 82 3HZ LYS 82 24.216 3.132 -9.022 613 HZ2 LYS 82 1HZ LYS 82 23.729 1.576 -9.072 614 HZ3 LYS 82 2HZ LYS 82 24.985 2.011 -8.113 615 H CYS 83 H CYS 83 25.488 1.201 -1.248 616 HA CYS 83 HA CYS 83 25.581 4.052 -0.463 617 HB2 CYS 83 1HB CYS 83 24.434 1.809 1.212 618 HB3 CYS 83 2HB CYS 83 25.425 3.034 2.031 619 HG CYS 83 HG CYS 83 23.122 3.946 2.457 620 H HIS 84 H HIS 84 27.314 4.527 1.039 621 HA HIS 84 HA HIS 84 29.455 2.640 1.568 622 HB2 HIS 84 1HB HIS 84 30.093 3.229 -0.694 623 HB3 HIS 84 2HB HIS 84 29.705 4.921 -0.413 624 HD1 HIS 84 1HD HIS 84 32.161 5.652 -1.221 625 HD2 HIS 84 2HD HIS 84 32.031 3.066 2.117 626 HE1 HIS 84 1HE HIS 84 34.426 5.793 -0.074 627 H GLN 85 H GLN 85 30.445 3.370 3.494 628 HA GLN 85 HA GLN 85 30.303 6.153 4.282 629 HB2 GLN 85 1HB GLN 85 28.052 5.332 5.072 630 HB3 GLN 85 2HB GLN 85 28.877 4.053 5.965 631 HG2 GLN 85 1HG GLN 85 30.156 6.035 7.166 632 HG3 GLN 85 2HG GLN 85 28.881 7.045 6.497 633 HE21 GLN 85 1HE2 GLN 85 26.630 6.565 7.230 634 HE22 GLN 85 2HE2 GLN 85 26.358 5.545 8.649 635 H THR 86 H THR 86 30.779 2.806 5.370 636 HA THR 86 HA THR 86 33.316 3.624 6.713 637 HB THR 86 HB THR 86 32.934 1.696 8.145 638 HG1 THR 86 1HG THR 86 30.846 1.142 6.349 639 HG21 THR 86 3HG2 THR 86 31.197 2.545 9.449 640 HG22 THR 86 1HG2 THR 86 30.277 3.127 8.042 641 HG23 THR 86 2HG2 THR 86 31.755 3.952 8.565 642 H ARG 87 H ARG 87 34.896 1.799 6.843 643 HA ARG 87 HA ARG 87 35.427 0.807 4.096 644 HB2 ARG 87 1HB ARG 87 37.133 0.958 6.605 645 HB3 ARG 87 2HB ARG 87 37.660 0.303 5.045 646 HG2 ARG 87 1HG ARG 87 37.170 2.461 3.933 647 HG3 ARG 87 2HG ARG 87 36.640 3.163 5.458 648 HD2 ARG 87 1HD ARG 87 39.406 2.105 4.851 649 HD3 ARG 87 2HD ARG 87 38.918 3.816 4.850 650 HE ARG 87 HE ARG 87 38.273 2.666 7.387 651 HH11 ARG 87 1HH1 ARG 87 40.991 3.984 5.580 652 HH12 ARG 87 2HH1 ARG 87 41.987 4.254 6.974 653 HH21 ARG 87 1HH2 ARG 87 39.512 2.948 9.182 654 HH22 ARG 87 2HH2 ARG 87 41.079 3.687 9.154 655 H SER 88 H SER 88 34.158 -0.292 7.210 656 HA SER 88 HA SER 88 34.991 -3.020 6.961 657 HB2 SER 88 1HB SER 88 34.561 -1.873 9.111 658 HB3 SER 88 2HB SER 88 32.901 -1.554 8.637 659 HG SER 88 HG SER 88 34.110 -3.863 9.584 660 H VAL 89 H VAL 89 34.101 -4.385 5.455 661 HA VAL 89 HA VAL 89 31.702 -3.714 3.994 662 HB VAL 89 HB VAL 89 33.380 -5.090 2.967 663 HG11 VAL 89 1HG1 VAL 89 34.314 -6.321 4.892 664 HG12 VAL 89 2HG1 VAL 89 32.819 -7.276 5.020 665 HG13 VAL 89 3HG1 VAL 89 33.851 -7.411 3.587 666 HG21 VAL 89 3HG2 VAL 89 32.006 -6.873 2.035 667 HG22 VAL 89 1HG2 VAL 89 30.869 -6.769 3.397 668 HG23 VAL 89 2HG2 VAL 89 31.025 -5.416 2.260 669 H ASP 90 H ASP 90 32.422 -5.675 6.855 670 HA ASP 90 HA ASP 90 30.000 -6.957 7.314 671 HB2 ASP 90 1HB ASP 90 31.651 -5.724 9.541 672 HB3 ASP 90 2HB ASP 90 30.712 -7.204 9.577 673 H GLN 91 H GLN 91 31.106 -3.709 8.405 674 HA GLN 91 HA GLN 91 28.652 -3.030 9.710 675 HB2 GLN 91 1HB GLN 91 31.076 -2.034 9.975 676 HB3 GLN 91 2HB GLN 91 30.625 -1.037 8.603 677 HG2 GLN 91 1HG GLN 91 28.752 -0.079 9.806 678 HG3 GLN 91 2HG GLN 91 28.979 -1.208 11.156 679 HE21 GLN 91 1HE2 GLN 91 28.998 1.844 11.186 680 HE22 GLN 91 2HE2 GLN 91 30.576 2.217 11.849 681 H ASN 92 H ASN 92 30.037 -2.126 6.508 682 HA ASN 92 HA ASN 92 28.004 -0.404 5.643 683 HB2 ASN 92 1HB ASN 92 29.801 -2.253 4.068 684 HB3 ASN 92 2HB ASN 92 28.606 -1.212 3.292 685 HD21 ASN 92 1HD2 ASN 92 31.579 -1.141 3.054 686 HD22 ASN 92 2HD2 ASN 92 32.022 0.476 3.561 687 H ARG 93 H ARG 93 27.999 -3.993 5.543 688 HA ARG 93 HA ARG 93 25.679 -4.378 3.964 689 HB2 ARG 93 1HB ARG 93 26.769 -5.855 6.379 690 HB3 ARG 93 2HB ARG 93 25.337 -6.410 5.529 691 HG2 ARG 93 1HG ARG 93 26.564 -6.889 3.546 692 HG3 ARG 93 2HG ARG 93 28.019 -6.087 4.123 693 HD2 ARG 93 1HD ARG 93 28.449 -7.800 5.716 694 HD3 ARG 93 2HD ARG 93 26.778 -8.394 5.650 695 HE ARG 93 HE ARG 93 27.295 -9.020 3.237 696 HH11 ARG 93 1HH1 ARG 93 29.560 -9.566 5.970 697 HH12 ARG 93 2HH1 ARG 93 30.158 -10.986 5.227 698 HH21 ARG 93 1HH2 ARG 93 28.180 -10.676 2.346 699 HH22 ARG 93 2HH2 ARG 93 29.565 -11.562 2.984 700 H LYS 94 H LYS 94 25.924 -3.805 7.537 701 HA LYS 94 HA LYS 94 23.100 -3.898 7.957 702 HB2 LYS 94 1HB LYS 94 24.713 -2.100 9.728 703 HB3 LYS 94 2HB LYS 94 23.424 -3.248 10.100 704 HG2 LYS 94 1HG LYS 94 25.236 -5.034 9.408 705 HG3 LYS 94 2HG LYS 94 26.367 -3.703 9.720 706 HD2 LYS 94 1HD LYS 94 24.328 -4.897 11.650 707 HD3 LYS 94 2HD LYS 94 26.077 -5.145 11.714 708 HE2 LYS 94 1HE LYS 94 26.467 -2.822 12.274 709 HE3 LYS 94 2HE LYS 94 24.770 -2.402 11.957 710 HZ1 LYS 94 3HZ LYS 94 24.112 -3.721 13.814 711 HZ2 LYS 94 1HZ LYS 94 25.200 -2.598 14.266 712 HZ3 LYS 94 2HZ LYS 94 25.691 -4.174 14.120 713 H ILE 95 H ILE 95 25.276 -1.254 7.074 714 HA ILE 95 HA ILE 95 23.397 0.820 7.530 715 HB ILE 95 HB ILE 95 25.786 0.773 5.631 716 HG12 ILE 95 1HG1 ILE 95 25.581 1.865 8.480 717 HG13 ILE 95 2HG1 ILE 95 26.301 0.325 8.079 718 HG21 ILE 95 1HG2 ILE 95 25.714 3.252 5.768 719 HG22 ILE 95 2HG2 ILE 95 24.247 2.598 5.054 720 HG23 ILE 95 3HG2 ILE 95 24.235 3.148 6.750 721 HD11 ILE 95 3HD1 ILE 95 27.333 3.053 7.360 722 HD12 ILE 95 1HD1 ILE 95 28.126 1.776 8.291 723 HD13 ILE 95 2HD1 ILE 95 27.919 1.588 6.544 724 H ALA 96 H ALA 96 24.257 -1.085 4.603 725 HA ALA 96 HA ALA 96 22.425 0.180 2.850 726 HB1 ALA 96 1HB ALA 96 24.356 -1.241 2.143 727 HB2 ALA 96 2HB ALA 96 23.485 -2.680 2.723 728 HB3 ALA 96 3HB ALA 96 22.821 -1.706 1.389 729 H ARG 97 H ARG 97 22.095 -2.707 4.956 730 HA ARG 97 HA ARG 97 19.460 -3.475 4.232 731 HB2 ARG 97 1HB ARG 97 21.110 -3.710 6.773 732 HB3 ARG 97 2HB ARG 97 19.465 -4.294 6.726 733 HG2 ARG 97 1HG ARG 97 19.974 -5.870 4.940 734 HG3 ARG 97 2HG ARG 97 21.615 -5.219 4.779 735 HD2 ARG 97 1HD ARG 97 22.110 -5.900 7.109 736 HD3 ARG 97 2HD ARG 97 20.478 -6.580 7.266 737 HE ARG 97 HE ARG 97 21.570 -7.806 5.014 738 HH11 ARG 97 1HH1 ARG 97 22.444 -7.652 8.499 739 HH12 ARG 97 2HH1 ARG 97 23.233 -9.195 8.468 740 HH21 ARG 97 1HH2 ARG 97 22.619 -9.851 5.038 741 HH22 ARG 97 2HH2 ARG 97 23.333 -10.435 6.487 742 H LYS 98 H LYS 98 20.560 -1.100 6.681 743 HA LYS 98 HA LYS 98 18.017 -0.444 7.695 744 HB2 LYS 98 1HB LYS 98 20.181 0.142 8.716 745 HB3 LYS 98 2HB LYS 98 20.489 1.346 7.473 746 HG2 LYS 98 1HG LYS 98 17.964 1.477 9.156 747 HG3 LYS 98 2HG LYS 98 19.514 2.004 9.820 748 HD2 LYS 98 1HD LYS 98 19.779 3.748 8.203 749 HD3 LYS 98 2HD LYS 98 18.477 3.121 7.204 750 HE2 LYS 98 1HE LYS 98 17.599 5.010 8.284 751 HE3 LYS 98 2HE LYS 98 16.831 3.591 8.984 752 HZ1 LYS 98 3HZ LYS 98 18.433 3.828 10.865 753 HZ2 LYS 98 1HZ LYS 98 17.365 5.067 10.677 754 HZ3 LYS 98 2HZ LYS 98 18.931 5.274 10.219 755 H VAL 99 H VAL 99 19.848 1.287 5.063 756 HA VAL 99 HA VAL 99 17.617 2.983 4.537 757 HB VAL 99 HB VAL 99 19.991 3.459 4.088 758 HG11 VAL 99 1HG1 VAL 99 20.809 1.521 3.063 759 HG12 VAL 99 2HG1 VAL 99 19.692 1.683 1.684 760 HG13 VAL 99 3HG1 VAL 99 20.986 2.878 1.944 761 HG21 VAL 99 3HG2 VAL 99 18.164 4.847 3.116 762 HG22 VAL 99 1HG2 VAL 99 19.597 4.835 2.081 763 HG23 VAL 99 2HG2 VAL 99 18.176 3.849 1.664 764 H LEU 100 H LEU 100 18.243 -0.264 3.433 765 HA LEU 100 HA LEU 100 16.567 -0.027 1.067 766 HB2 LEU 100 1HB LEU 100 18.243 -1.793 1.279 767 HB3 LEU 100 2HB LEU 100 17.382 -2.495 2.652 768 HG LEU 100 HG LEU 100 15.502 -3.136 1.236 769 HD11 LEU 100 1HD1 LEU 100 15.361 -1.332 -0.386 770 HD12 LEU 100 2HD1 LEU 100 15.624 -2.821 -1.267 771 HD13 LEU 100 3HD1 LEU 100 16.983 -1.704 -1.024 772 HD21 LEU 100 3HD2 LEU 100 16.635 -4.787 -0.171 773 HD22 LEU 100 1HD2 LEU 100 17.512 -4.604 1.343 774 HD23 LEU 100 2HD2 LEU 100 18.131 -3.840 -0.142 775 H GLN 101 H GLN 101 15.954 -0.963 4.438 776 HA GLN 101 HA GLN 101 13.349 -1.912 4.235 777 HB2 GLN 101 1HB GLN 101 14.889 -2.029 6.147 778 HB3 GLN 101 2HB GLN 101 14.643 -0.321 6.494 779 HG2 GLN 101 1HG GLN 101 12.449 -0.671 7.292 780 HG3 GLN 101 2HG GLN 101 12.289 -2.219 6.450 781 HE21 GLN 101 1HE2 GLN 101 11.924 -3.590 8.183 782 HE22 GLN 101 2HE2 GLN 101 13.079 -3.853 9.504 783 H GLU 102 H GLU 102 14.292 1.509 4.732 784 HA GLU 102 HA GLU 102 11.603 2.510 4.929 785 HB2 GLU 102 1HB GLU 102 12.743 4.716 4.356 786 HB3 GLU 102 2HB GLU 102 13.377 3.863 5.766 787 HG2 GLU 102 1HG GLU 102 15.250 2.985 4.445 788 HG3 GLU 102 2HG GLU 102 14.647 3.849 3.014 789 H LYS 103 H LYS 103 13.564 1.662 2.149 790 HA LYS 103 HA LYS 103 11.803 3.085 0.279 791 HB2 LYS 103 1HB LYS 103 13.930 0.963 -0.221 792 HB3 LYS 103 2HB LYS 103 13.096 1.942 -1.458 793 HG2 LYS 103 1HG LYS 103 13.920 4.000 -0.287 794 HG3 LYS 103 2HG LYS 103 14.897 2.982 0.763 795 HD2 LYS 103 1HD LYS 103 16.085 2.068 -1.228 796 HD3 LYS 103 2HD LYS 103 15.150 3.164 -2.262 797 HE2 LYS 103 1HE LYS 103 17.082 3.936 -0.035 798 HE3 LYS 103 2HE LYS 103 17.347 4.114 -1.770 799 HZ1 LYS 103 3HZ LYS 103 15.296 5.602 -1.712 800 HZ2 LYS 103 1HZ LYS 103 16.654 6.227 -0.997 801 HZ3 LYS 103 2HZ LYS 103 15.440 5.623 -0.083 802 H VAL 104 H VAL 104 12.060 -0.222 1.576 803 HA VAL 104 HA VAL 104 10.088 -1.363 -0.210 804 HB VAL 104 HB VAL 104 11.230 -2.242 2.485 805 HG11 VAL 104 1HG1 VAL 104 10.327 -4.502 1.951 806 HG12 VAL 104 2HG1 VAL 104 9.030 -3.329 2.191 807 HG13 VAL 104 3HG1 VAL 104 9.472 -3.819 0.545 808 HG21 VAL 104 3HG2 VAL 104 12.523 -3.842 1.150 809 HG22 VAL 104 1HG2 VAL 104 11.775 -3.227 -0.350 810 HG23 VAL 104 2HG2 VAL 104 12.860 -2.198 0.592 811 H ASP 105 H ASP 105 9.897 0.410 2.909 812 HA ASP 105 HA ASP 105 7.147 -0.120 3.492 813 HB2 ASP 105 1HB ASP 105 8.589 1.012 5.054 814 HB3 ASP 105 2HB ASP 105 8.902 2.280 3.886 815 H VAL 106 H VAL 106 8.583 2.414 1.427 816 HA VAL 106 HA VAL 106 6.080 3.482 0.532 817 HB VAL 106 HB VAL 106 8.896 3.728 -0.588 818 HG11 VAL 106 1HG1 VAL 106 7.335 4.506 -2.300 819 HG12 VAL 106 2HG1 VAL 106 6.415 5.433 -1.096 820 HG13 VAL 106 3HG1 VAL 106 8.075 5.910 -1.520 821 HG21 VAL 106 3HG2 VAL 106 8.695 4.431 1.756 822 HG22 VAL 106 1HG2 VAL 106 8.879 5.829 0.712 823 HG23 VAL 106 2HG2 VAL 106 7.277 5.420 1.356 824 H PHE 107 H PHE 107 7.602 0.615 -0.309 825 HA PHE 107 HA PHE 107 6.401 0.421 -3.050 826 HB2 PHE 107 1HB PHE 107 8.535 -0.687 -2.575 827 HB3 PHE 107 2HB PHE 107 7.803 -1.671 -1.343 828 HD1 PHE 107 1HD PHE 107 6.289 -3.519 -1.821 829 HD2 PHE 107 2HD PHE 107 8.176 -1.282 -4.981 830 HE1 PHE 107 1HE PHE 107 5.770 -5.347 -3.411 831 HE2 PHE 107 2HE PHE 107 7.636 -3.108 -6.576 832 HZ PHE 107 HZ PHE 107 6.443 -5.139 -5.787 833 H TYR 108 H TYR 108 5.561 -0.262 0.239 834 HA TYR 108 HA TYR 108 3.246 -1.983 -0.486 835 HB2 TYR 108 1HB TYR 108 4.752 -1.352 2.059 836 HB3 TYR 108 2HB TYR 108 3.124 -1.993 2.116 837 HD1 TYR 108 1HD TYR 108 6.441 -2.762 0.492 838 HD2 TYR 108 2HD TYR 108 2.774 -4.289 2.129 839 HE1 TYR 108 1HE TYR 108 7.284 -5.040 0.166 840 HE2 TYR 108 2HE TYR 108 3.575 -6.580 1.780 841 HH TYR 108 HH TYR 108 6.880 -7.288 0.495 842 H ASN 109 H ASN 109 3.961 1.008 1.441 843 HA ASN 109 HA ASN 109 1.140 1.654 1.568 844 HB2 ASN 109 1HB ASN 109 1.721 3.649 2.671 845 HB3 ASN 109 2HB ASN 109 2.773 2.386 3.284 846 HD21 ASN 109 1HD2 ASN 109 4.933 2.939 3.481 847 HD22 ASN 109 2HD2 ASN 109 5.650 4.299 2.668 848 H SER 110 H SER 110 3.448 2.086 -0.888 849 HA SER 110 HA SER 110 1.575 3.631 -2.523 850 HB2 SER 110 1HB SER 110 3.530 5.027 -1.260 851 HB3 SER 110 2HB SER 110 4.458 4.505 -2.670 852 HG SER 110 HG SER 110 3.290 5.760 -3.902 853 H GLY 111 H GLY 111 3.643 3.740 -4.735 854 HA2 GLY 111 1HA GLY 111 5.094 1.944 -5.689 855 HA3 GLY 111 2HA GLY 111 3.769 0.817 -5.357 856 HA PRO 112 HA PRO 112 3.358 3.061 -9.560 857 HB2 PRO 112 1HB PRO 112 3.655 0.841 -11.216 858 HB3 PRO 112 2HB PRO 112 4.962 1.974 -10.760 859 HG2 PRO 112 1HG PRO 112 4.267 -0.694 -9.510 860 HG3 PRO 112 2HG PRO 112 5.883 -0.073 -9.970 861 HD2 PRO 112 1HD PRO 112 5.018 0.034 -7.413 862 HD3 PRO 112 2HD PRO 112 5.931 1.409 -8.110 863 H SER 113 H SER 113 2.156 -0.005 -8.248 864 HA SER 113 HA SER 113 -0.222 -0.188 -9.819 865 HB2 SER 113 1HB SER 113 1.029 -1.935 -8.336 866 HB3 SER 113 2HB SER 113 0.176 -1.198 -6.972 867 HG SER 113 HG SER 113 -0.867 -2.982 -7.766 868 H SER 114 H SER 114 0.639 1.628 -6.873 869 HA SER 114 HA SER 114 -2.137 2.359 -6.316 870 HB2 SER 114 1HB SER 114 -0.561 1.555 -4.576 871 HB3 SER 114 2HB SER 114 0.483 2.955 -4.871 872 HG SER 114 HG SER 114 -0.811 4.146 -3.787 873 H GLY 115 H GLY 115 0.897 3.897 -7.469 874 HA2 GLY 115 1HA GLY 115 0.847 5.758 -8.964 875 HA3 GLY 115 2HA GLY 115 -0.675 6.317 -8.231 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -51.450 -81.136 34.415 2 HA2 GLY 1 1HA GLY 1 -49.587 -79.793 35.281 3 HA3 GLY 1 2HA GLY 1 -49.003 -79.650 33.604 4 H SER 2 H SER 2 -49.661 -77.329 35.246 5 HA SER 2 HA SER 2 -51.858 -76.195 33.653 6 HB2 SER 2 1HB SER 2 -51.519 -75.766 36.650 7 HB3 SER 2 2HB SER 2 -52.861 -75.243 35.616 8 HG SER 2 HG SER 2 -53.506 -77.064 36.716 9 H SER 3 H SER 3 -51.694 -73.637 33.974 10 HA SER 3 HA SER 3 -49.145 -72.615 34.802 11 HB2 SER 3 1HB SER 3 -48.707 -73.599 32.487 12 HB3 SER 3 2HB SER 3 -49.891 -72.442 31.846 13 HG SER 3 HG SER 3 -47.628 -71.771 31.808 14 H GLY 4 H GLY 4 -49.206 -70.174 34.203 15 HA2 GLY 4 1HA GLY 4 -51.310 -68.616 33.458 16 HA3 GLY 4 2HA GLY 4 -51.646 -68.995 35.167 17 H SER 5 H SER 5 -51.028 -66.279 34.565 18 HA SER 5 HA SER 5 -48.634 -65.950 36.135 19 HB2 SER 5 1HB SER 5 -47.460 -64.547 34.429 20 HB3 SER 5 2HB SER 5 -47.529 -66.257 33.988 21 HG SER 5 HG SER 5 -49.036 -65.826 32.477 22 H SER 6 H SER 6 -48.251 -63.576 36.508 23 HA SER 6 HA SER 6 -50.855 -62.140 36.660 24 HB2 SER 6 1HB SER 6 -49.587 -62.709 38.756 25 HB3 SER 6 2HB SER 6 -48.255 -61.700 38.184 26 HG SER 6 HG SER 6 -50.871 -60.967 38.961 27 H GLY 7 H GLY 7 -50.388 -61.986 34.242 28 HA2 GLY 7 1HA GLY 7 -48.323 -60.319 33.162 29 HA3 GLY 7 2HA GLY 7 -49.795 -60.873 32.359 30 H LYS 8 H LYS 8 -48.643 -58.528 34.751 31 HA LYS 8 HA LYS 8 -50.962 -56.729 34.333 32 HB2 LYS 8 1HB LYS 8 -48.434 -56.491 36.030 33 HB3 LYS 8 2HB LYS 8 -49.739 -55.300 36.017 34 HG2 LYS 8 1HG LYS 8 -51.334 -56.871 36.927 35 HG3 LYS 8 2HG LYS 8 -50.214 -58.219 36.787 36 HD2 LYS 8 1HD LYS 8 -49.881 -55.806 38.613 37 HD3 LYS 8 2HD LYS 8 -50.394 -57.415 39.107 38 HE2 LYS 8 1HE LYS 8 -47.656 -56.628 38.012 39 HE3 LYS 8 2HE LYS 8 -48.050 -57.064 39.677 40 HZ1 LYS 8 3HZ LYS 8 -48.675 -59.295 38.809 41 HZ2 LYS 8 1HZ LYS 8 -47.075 -58.937 38.576 42 HZ3 LYS 8 2HZ LYS 8 -48.153 -58.891 37.336 43 H TRP 9 H TRP 9 -50.824 -54.748 33.215 44 HA TRP 9 HA TRP 9 -48.310 -53.768 32.156 45 HB2 TRP 9 1HB TRP 9 -49.109 -53.799 29.855 46 HB3 TRP 9 2HB TRP 9 -49.009 -55.435 30.466 47 HD1 TRP 9 HD TRP 9 -51.359 -56.709 30.956 48 HE1 TRP 9 1HE TRP 9 -53.692 -56.408 29.966 49 HE3 TRP 9 3HE TRP 9 -50.755 -52.085 28.826 50 HZ2 TRP 9 2HZ TRP 9 -55.153 -54.389 28.480 51 HZ3 TRP 9 3HZ TRP 9 -52.635 -51.008 27.618 52 HH2 TRP 9 HH TRP 9 -54.835 -52.147 27.451 53 H GLY 10 H GLY 10 -49.122 -51.627 30.768 54 HA2 GLY 10 1HA GLY 10 -51.570 -50.441 31.359 55 HA3 GLY 10 2HA GLY 10 -50.415 -49.942 32.619 56 H LEU 11 H LEU 11 -51.334 -47.967 31.055 57 HA LEU 11 HA LEU 11 -49.585 -47.532 28.722 58 HB2 LEU 11 1HB LEU 11 -51.832 -45.948 30.057 59 HB3 LEU 11 2HB LEU 11 -50.771 -45.220 28.864 60 HG LEU 11 HG LEU 11 -51.405 -46.960 27.200 61 HD11 LEU 11 1HD1 LEU 11 -53.505 -47.736 29.276 62 HD12 LEU 11 2HD1 LEU 11 -52.236 -48.784 28.594 63 HD13 LEU 11 3HD1 LEU 11 -53.541 -48.208 27.565 64 HD21 LEU 11 3HD2 LEU 11 -53.599 -45.944 26.707 65 HD22 LEU 11 1HD2 LEU 11 -52.444 -44.719 27.242 66 HD23 LEU 11 2HD2 LEU 11 -53.691 -45.306 28.363 67 H ARG 12 H ARG 12 -48.272 -45.532 28.616 68 HA ARG 12 HA ARG 12 -47.065 -44.832 31.247 69 HB2 ARG 12 1HB ARG 12 -45.512 -46.046 29.750 70 HB3 ARG 12 2HB ARG 12 -45.830 -44.898 28.452 71 HG2 ARG 12 1HG ARG 12 -43.674 -44.499 29.547 72 HG3 ARG 12 2HG ARG 12 -44.732 -43.093 29.689 73 HD2 ARG 12 1HD ARG 12 -45.085 -43.433 32.013 74 HD3 ARG 12 2HD ARG 12 -44.647 -45.138 31.918 75 HE ARG 12 HE ARG 12 -42.440 -44.676 32.043 76 HH11 ARG 12 1HH1 ARG 12 -44.118 -41.486 31.811 77 HH12 ARG 12 2HH1 ARG 12 -42.778 -40.619 32.399 78 HH21 ARG 12 1HH2 ARG 12 -40.654 -43.451 32.789 79 HH22 ARG 12 2HH2 ARG 12 -40.762 -41.740 32.932 80 H LEU 13 H LEU 13 -47.189 -42.684 31.775 81 HA LEU 13 HA LEU 13 -48.507 -40.826 29.885 82 HB2 LEU 13 1HB LEU 13 -48.353 -41.020 32.932 83 HB3 LEU 13 2HB LEU 13 -48.726 -39.506 32.137 84 HG LEU 13 HG LEU 13 -50.728 -40.601 32.915 85 HD11 LEU 13 1HD1 LEU 13 -50.826 -39.149 30.898 86 HD12 LEU 13 2HD1 LEU 13 -52.096 -40.377 30.937 87 HD13 LEU 13 3HD1 LEU 13 -50.702 -40.592 29.868 88 HD21 LEU 13 3HD2 LEU 13 -50.271 -42.841 30.910 89 HD22 LEU 13 1HD2 LEU 13 -51.629 -42.642 32.025 90 HD23 LEU 13 2HD2 LEU 13 -50.018 -42.983 32.669 91 H GLN 14 H GLN 14 -47.612 -38.723 29.738 92 HA GLN 14 HA GLN 14 -45.174 -37.839 30.820 93 HB2 GLN 14 1HB GLN 14 -43.783 -38.022 28.838 94 HB3 GLN 14 2HB GLN 14 -44.297 -39.638 29.309 95 HG2 GLN 14 1HG GLN 14 -45.462 -38.006 27.002 96 HG3 GLN 14 2HG GLN 14 -44.307 -39.325 26.857 97 HE21 GLN 14 1HE2 GLN 14 -45.136 -41.560 27.891 98 HE22 GLN 14 2HE2 GLN 14 -46.865 -41.832 27.656 99 H GLU 15 H GLU 15 -44.627 -35.851 28.786 100 HA GLU 15 HA GLU 15 -47.211 -34.876 27.941 101 HB2 GLU 15 1HB GLU 15 -47.108 -33.959 30.180 102 HB3 GLU 15 2HB GLU 15 -45.476 -33.377 29.923 103 HG2 GLU 15 1HG GLU 15 -47.157 -31.578 29.936 104 HG3 GLU 15 2HG GLU 15 -46.226 -31.641 28.442 105 H LYS 16 H LYS 16 -46.960 -33.103 26.529 106 HA LYS 16 HA LYS 16 -45.154 -33.550 24.397 107 HB2 LYS 16 1HB LYS 16 -46.908 -31.151 25.109 108 HB3 LYS 16 2HB LYS 16 -46.237 -31.436 23.508 109 HG2 LYS 16 1HG LYS 16 -47.591 -33.420 23.194 110 HG3 LYS 16 2HG LYS 16 -48.181 -33.381 24.836 111 HD2 LYS 16 1HD LYS 16 -48.683 -31.243 22.752 112 HD3 LYS 16 2HD LYS 16 -49.834 -32.494 23.204 113 HE2 LYS 16 1HE LYS 16 -48.746 -30.323 25.059 114 HE3 LYS 16 2HE LYS 16 -50.315 -30.269 24.271 115 HZ1 LYS 16 3HZ LYS 16 -49.545 -32.418 26.147 116 HZ2 LYS 16 1HZ LYS 16 -51.084 -32.013 25.700 117 HZ3 LYS 16 2HZ LYS 16 -50.099 -31.101 26.693 118 HA PRO 17 HA PRO 17 -41.832 -30.828 25.571 119 HB2 PRO 17 1HB PRO 17 -40.669 -30.229 23.170 120 HB3 PRO 17 2HB PRO 17 -40.635 -31.887 23.857 121 HG2 PRO 17 1HG PRO 17 -42.531 -30.774 21.769 122 HG3 PRO 17 2HG PRO 17 -41.635 -32.324 21.733 123 HD2 PRO 17 1HD PRO 17 -44.268 -32.110 22.564 124 HD3 PRO 17 2HD PRO 17 -43.148 -33.317 23.246 125 H ALA 18 H ALA 18 -41.427 -28.574 25.788 126 HA ALA 18 HA ALA 18 -43.617 -26.815 25.012 127 HB1 ALA 18 1HB ALA 18 -42.550 -26.624 27.236 128 HB2 ALA 18 2HB ALA 18 -40.985 -26.261 26.461 129 HB3 ALA 18 3HB ALA 18 -42.340 -25.127 26.297 130 H LEU 19 H LEU 19 -43.638 -25.502 23.250 131 HA LEU 19 HA LEU 19 -41.344 -25.551 21.417 132 HB2 LEU 19 1HB LEU 19 -42.746 -24.747 19.764 133 HB3 LEU 19 2HB LEU 19 -43.755 -25.866 20.658 134 HG LEU 19 HG LEU 19 -43.838 -22.808 20.857 135 HD11 LEU 19 1HD1 LEU 19 -45.753 -24.781 19.546 136 HD12 LEU 19 2HD1 LEU 19 -44.637 -23.681 18.705 137 HD13 LEU 19 3HD1 LEU 19 -45.969 -23.018 19.659 138 HD21 LEU 19 3HD2 LEU 19 -45.995 -23.174 22.075 139 HD22 LEU 19 1HD2 LEU 19 -44.590 -23.713 22.988 140 HD23 LEU 19 2HD2 LEU 19 -45.627 -24.912 22.160 141 H LEU 20 H LEU 20 -40.855 -23.332 20.285 142 HA LEU 20 HA LEU 20 -40.740 -21.133 22.241 143 HB2 LEU 20 1HB LEU 20 -38.459 -20.688 21.506 144 HB3 LEU 20 2HB LEU 20 -38.628 -22.235 22.306 145 HG LEU 20 HG LEU 20 -38.565 -23.358 20.036 146 HD11 LEU 20 1HD1 LEU 20 -37.457 -22.047 18.183 147 HD12 LEU 20 2HD1 LEU 20 -37.813 -20.558 19.082 148 HD13 LEU 20 3HD1 LEU 20 -39.127 -21.590 18.464 149 HD21 LEU 20 3HD2 LEU 20 -36.124 -23.128 19.835 150 HD22 LEU 20 1HD2 LEU 20 -36.611 -23.205 21.532 151 HD23 LEU 20 2HD2 LEU 20 -36.169 -21.642 20.811 152 H PHE 21 H PHE 21 -39.870 -19.094 20.909 153 HA PHE 21 HA PHE 21 -41.365 -18.877 18.371 154 HB2 PHE 21 1HB PHE 21 -41.929 -16.539 19.223 155 HB3 PHE 21 2HB PHE 21 -42.746 -17.880 20.003 156 HD1 PHE 21 2HD PHE 21 -40.064 -15.316 20.438 157 HD2 PHE 21 1HD PHE 21 -42.473 -18.340 22.358 158 HE1 PHE 21 2HE PHE 21 -39.314 -14.514 22.652 159 HE2 PHE 21 1HE PHE 21 -41.714 -17.533 24.573 160 HZ PHE 21 HZ PHE 21 -40.131 -15.619 24.729 161 HA PRO 22 HA PRO 22 -37.532 -17.190 16.948 162 HB2 PRO 22 1HB PRO 22 -38.237 -15.481 14.937 163 HB3 PRO 22 2HB PRO 22 -38.545 -17.242 14.836 164 HG2 PRO 22 1HG PRO 22 -40.475 -15.063 15.711 165 HG3 PRO 22 2HG PRO 22 -40.747 -16.348 14.492 166 HD2 PRO 22 1HD PRO 22 -41.577 -16.600 17.073 167 HD3 PRO 22 2HD PRO 22 -40.967 -18.008 16.155 168 H GLY 23 H GLY 23 -36.272 -15.139 16.614 169 HA2 GLY 23 1HA GLY 23 -37.151 -12.915 18.415 170 HA3 GLY 23 2HA GLY 23 -35.501 -13.551 18.379 171 H MET 24 H MET 24 -34.169 -13.148 16.441 172 HA MET 24 HA MET 24 -35.235 -11.385 14.374 173 HB2 MET 24 1HB MET 24 -34.503 -9.854 16.174 174 HB3 MET 24 2HB MET 24 -32.917 -10.629 16.222 175 HG2 MET 24 1HG MET 24 -32.982 -8.442 15.026 176 HG3 MET 24 2HG MET 24 -32.337 -9.759 14.060 177 HE1 MET 24 3HE MET 24 -34.163 -7.255 11.540 178 HE2 MET 24 1HE MET 24 -33.271 -6.871 13.027 179 HE3 MET 24 2HE MET 24 -32.628 -8.073 11.883 180 H ALA 25 H ALA 25 -33.594 -11.253 12.559 181 HA ALA 25 HA ALA 25 -31.459 -13.279 12.578 182 HB1 ALA 25 1HB ALA 25 -32.338 -14.379 10.553 183 HB2 ALA 25 2HB ALA 25 -33.444 -14.578 11.927 184 HB3 ALA 25 3HB ALA 25 -33.817 -13.398 10.646 185 H ALA 26 H ALA 26 -30.631 -10.903 12.652 186 HA ALA 26 HA ALA 26 -30.730 -9.404 10.144 187 HB1 ALA 26 1HB ALA 26 -29.097 -7.957 11.248 188 HB2 ALA 26 2HB ALA 26 -30.433 -8.297 12.375 189 HB3 ALA 26 3HB ALA 26 -28.873 -9.135 12.557 190 H SER 27 H SER 27 -28.916 -9.184 8.667 191 HA SER 27 HA SER 27 -27.316 -11.583 8.414 192 HB2 SER 27 1HB SER 27 -28.426 -10.172 6.564 193 HB3 SER 27 2HB SER 27 -27.086 -9.028 6.783 194 HG SER 27 HG SER 27 -26.293 -10.402 5.294 195 H THR 28 H THR 28 -24.947 -10.987 7.574 196 HA THR 28 HA THR 28 -23.517 -9.505 9.729 197 HB THR 28 HB THR 28 -22.466 -11.821 8.042 198 HG1 THR 28 1HG THR 28 -23.927 -12.866 9.136 199 HG21 THR 28 3HG2 THR 28 -20.759 -10.425 9.260 200 HG22 THR 28 1HG2 THR 28 -20.823 -12.090 9.811 201 HG23 THR 28 2HG2 THR 28 -21.591 -10.811 10.779 202 H VAL 29 H VAL 29 -21.547 -8.352 8.948 203 HA VAL 29 HA VAL 29 -21.666 -7.578 6.079 204 HB VAL 29 HB VAL 29 -21.020 -5.886 8.537 205 HG11 VAL 29 1HG1 VAL 29 -21.297 -5.045 5.628 206 HG12 VAL 29 2HG1 VAL 29 -21.108 -3.970 7.022 207 HG13 VAL 29 3HG1 VAL 29 -19.788 -5.047 6.588 208 HG21 VAL 29 3HG2 VAL 29 -23.102 -4.668 7.958 209 HG22 VAL 29 1HG2 VAL 29 -23.451 -5.851 6.688 210 HG23 VAL 29 2HG2 VAL 29 -23.457 -6.337 8.395 211 H GLN 30 H GLN 30 -19.458 -6.923 5.236 212 HA GLN 30 HA GLN 30 -17.358 -8.681 6.403 213 HB2 GLN 30 1HB GLN 30 -17.750 -7.571 3.600 214 HB3 GLN 30 2HB GLN 30 -16.395 -8.579 4.131 215 HG2 GLN 30 1HG GLN 30 -17.908 -10.432 4.670 216 HG3 GLN 30 2HG GLN 30 -19.330 -9.458 4.289 217 HE21 GLN 30 1HE2 GLN 30 -20.006 -9.226 2.128 218 HE22 GLN 30 2HE2 GLN 30 -19.056 -9.871 0.781 219 H VAL 31 H VAL 31 -15.371 -7.772 6.998 220 HA VAL 31 HA VAL 31 -15.422 -4.949 7.543 221 HB VAL 31 HB VAL 31 -13.257 -7.020 7.984 222 HG11 VAL 31 1HG1 VAL 31 -12.426 -4.774 8.298 223 HG12 VAL 31 2HG1 VAL 31 -13.839 -4.380 9.329 224 HG13 VAL 31 3HG1 VAL 31 -12.604 -5.553 9.870 225 HG21 VAL 31 3HG2 VAL 31 -14.154 -7.241 10.311 226 HG22 VAL 31 1HG2 VAL 31 -15.553 -6.241 9.849 227 HG23 VAL 31 2HG2 VAL 31 -15.297 -7.841 9.118 228 H ALA 32 H ALA 32 -14.005 -3.444 6.796 229 HA ALA 32 HA ALA 32 -11.856 -3.734 4.988 230 HB1 ALA 32 1HB ALA 32 -14.550 -2.859 3.890 231 HB2 ALA 32 2HB ALA 32 -13.007 -2.372 3.143 232 HB3 ALA 32 3HB ALA 32 -13.444 -4.085 3.249 233 H GLY 33 H GLY 33 -11.193 -1.356 4.380 234 HA2 GLY 33 1HA GLY 33 -12.040 0.985 5.329 235 HA3 GLY 33 2HA GLY 33 -11.386 0.239 6.810 236 H ARG 34 H ARG 34 -9.658 1.718 6.892 237 HA ARG 34 HA ARG 34 -7.831 2.174 4.733 238 HB2 ARG 34 1HB ARG 34 -7.021 2.384 7.664 239 HB3 ARG 34 2HB ARG 34 -6.396 3.263 6.277 240 HG2 ARG 34 1HG ARG 34 -7.649 4.926 7.170 241 HG3 ARG 34 2HG ARG 34 -8.875 4.186 6.127 242 HD2 ARG 34 1HD ARG 34 -9.410 2.738 8.251 243 HD3 ARG 34 2HD ARG 34 -8.472 3.937 9.137 244 HE ARG 34 HE ARG 34 -10.189 5.507 7.789 245 HH11 ARG 34 1HH1 ARG 34 -10.960 2.410 9.397 246 HH12 ARG 34 2HH1 ARG 34 -12.512 2.922 9.937 247 HH21 ARG 34 1HH2 ARG 34 -12.244 6.193 8.552 248 HH22 ARG 34 2HH2 ARG 34 -13.204 5.204 9.592 249 H LYS 35 H LYS 35 -5.344 1.678 5.217 250 HA LYS 35 HA LYS 35 -4.879 -0.988 6.292 251 HB2 LYS 35 1HB LYS 35 -5.583 -1.065 3.775 252 HB3 LYS 35 2HB LYS 35 -4.016 -0.328 3.425 253 HG2 LYS 35 1HG LYS 35 -2.827 -2.247 4.119 254 HG3 LYS 35 2HG LYS 35 -4.090 -2.730 5.243 255 HD2 LYS 35 1HD LYS 35 -5.530 -3.158 3.059 256 HD3 LYS 35 2HD LYS 35 -3.960 -3.149 2.266 257 HE2 LYS 35 1HE LYS 35 -4.472 -5.438 2.818 258 HE3 LYS 35 2HE LYS 35 -3.194 -4.892 3.914 259 HZ1 LYS 35 3HZ LYS 35 -4.612 -5.834 5.370 260 HZ2 LYS 35 1HZ LYS 35 -5.998 -5.461 4.535 261 HZ3 LYS 35 2HZ LYS 35 -5.217 -4.332 5.438 262 H ASP 36 H ASP 36 -2.347 -1.307 5.801 263 HA ASP 36 HA ASP 36 -0.373 -0.764 6.757 264 HB2 ASP 36 1HB ASP 36 -0.907 0.494 4.216 265 HB3 ASP 36 2HB ASP 36 0.188 1.496 5.127 266 H TYR 37 H TYR 37 -1.866 -0.012 8.682 267 HA TYR 37 HA TYR 37 -1.930 2.752 9.343 268 HB2 TYR 37 1HB TYR 37 -1.975 0.950 11.669 269 HB3 TYR 37 2HB TYR 37 -3.041 2.180 11.124 270 HD1 TYR 37 2HD TYR 37 -4.267 1.425 8.690 271 HD2 TYR 37 1HD TYR 37 -2.894 -1.159 11.856 272 HE1 TYR 37 2HE TYR 37 -6.158 -0.131 8.256 273 HE2 TYR 37 1HE TYR 37 -4.649 -2.793 11.315 274 HH TYR 37 HH TYR 37 -7.413 -1.997 9.278 275 HA PRO 38 HA PRO 38 1.910 2.102 12.147 276 HB2 PRO 38 1HB PRO 38 3.373 -0.210 12.037 277 HB3 PRO 38 2HB PRO 38 1.902 -0.084 13.034 278 HG2 PRO 38 1HG PRO 38 2.150 -1.252 10.248 279 HG3 PRO 38 2HG PRO 38 1.360 -1.972 11.676 280 HD2 PRO 38 1HD PRO 38 -0.112 -0.649 9.857 281 HD3 PRO 38 2HD PRO 38 -0.438 -0.541 11.591 282 H ALA 39 H ALA 39 4.491 1.705 11.494 283 HA ALA 39 HA ALA 39 4.771 2.001 8.554 284 HB1 ALA 39 1HB ALA 39 4.587 4.286 9.465 285 HB2 ALA 39 2HB ALA 39 5.980 3.973 10.524 286 HB3 ALA 39 3HB ALA 39 6.175 3.958 8.762 287 H LEU 40 H LEU 40 7.085 2.030 7.992 288 HA LEU 40 HA LEU 40 8.932 0.824 7.630 289 HB2 LEU 40 1HB LEU 40 9.277 1.067 10.610 290 HB3 LEU 40 2HB LEU 40 10.547 0.745 9.449 291 HG LEU 40 HG LEU 40 8.944 3.316 9.802 292 HD11 LEU 40 1HD1 LEU 40 10.578 2.935 11.551 293 HD12 LEU 40 2HD1 LEU 40 11.184 4.216 10.496 294 HD13 LEU 40 3HD1 LEU 40 11.851 2.586 10.361 295 HD21 LEU 40 3HD2 LEU 40 11.375 3.382 8.040 296 HD22 LEU 40 1HD2 LEU 40 9.895 4.326 8.016 297 HD23 LEU 40 2HD2 LEU 40 9.866 2.725 7.327 298 H LEU 41 H LEU 41 7.310 -0.826 7.160 299 HA LEU 41 HA LEU 41 6.626 -3.033 8.652 300 HB2 LEU 41 1HB LEU 41 7.544 -3.027 5.759 301 HB3 LEU 41 2HB LEU 41 6.728 -4.392 6.490 302 HG LEU 41 HG LEU 41 5.484 -1.633 6.267 303 HD11 LEU 41 1HD1 LEU 41 4.229 -2.506 4.357 304 HD12 LEU 41 2HD1 LEU 41 5.141 -4.036 4.431 305 HD13 LEU 41 3HD1 LEU 41 5.968 -2.515 4.034 306 HD21 LEU 41 3HD2 LEU 41 4.154 -4.375 6.645 307 HD22 LEU 41 1HD2 LEU 41 3.395 -2.768 6.760 308 HD23 LEU 41 2HD2 LEU 41 4.524 -3.302 7.997 309 HA PRO 42 HA PRO 42 10.411 -5.210 9.592 310 HB2 PRO 42 1HB PRO 42 9.494 -7.762 10.043 311 HB3 PRO 42 2HB PRO 42 9.172 -6.395 11.151 312 HG2 PRO 42 1HG PRO 42 7.341 -7.529 9.018 313 HG3 PRO 42 2HG PRO 42 6.939 -7.087 10.707 314 HD2 PRO 42 1HD PRO 42 6.453 -5.442 8.577 315 HD3 PRO 42 2HD PRO 42 6.890 -4.782 10.175 316 H LEU 43 H LEU 43 11.995 -6.613 8.520 317 HA LEU 43 HA LEU 43 11.191 -7.769 5.904 318 HB2 LEU 43 1HB LEU 43 12.639 -6.917 4.610 319 HB3 LEU 43 2HB LEU 43 11.729 -5.640 5.389 320 HG LEU 43 HG LEU 43 13.597 -4.985 6.762 321 HD11 LEU 43 1HD1 LEU 43 15.727 -6.390 6.372 322 HD12 LEU 43 2HD1 LEU 43 14.513 -7.629 5.746 323 HD13 LEU 43 3HD1 LEU 43 14.409 -7.010 7.400 324 HD21 LEU 43 3HD2 LEU 43 14.460 -5.650 3.909 325 HD22 LEU 43 1HD2 LEU 43 15.192 -4.387 4.949 326 HD23 LEU 43 2HD2 LEU 43 13.508 -4.240 4.378 327 H ASN 44 H ASN 44 12.180 -9.492 5.044 328 HA ASN 44 HA ASN 44 13.081 -11.391 7.108 329 HB2 ASN 44 1HB ASN 44 11.219 -11.867 5.506 330 HB3 ASN 44 2HB ASN 44 12.343 -11.724 4.181 331 HD21 ASN 44 1HD2 ASN 44 11.316 -13.914 3.909 332 HD22 ASN 44 2HD2 ASN 44 12.228 -15.281 4.512 333 H GLU 45 H GLU 45 15.311 -11.385 7.458 334 HA GLU 45 HA GLU 45 17.119 -10.601 5.321 335 HB2 GLU 45 1HB GLU 45 18.911 -11.061 6.813 336 HB3 GLU 45 2HB GLU 45 17.635 -10.189 7.680 337 HG2 GLU 45 1HG GLU 45 16.914 -12.413 8.644 338 HG3 GLU 45 2HG GLU 45 18.353 -13.136 7.914 339 H SER 46 H SER 46 15.661 -13.618 6.105 340 HA SER 46 HA SER 46 17.689 -15.254 4.770 341 HB2 SER 46 1HB SER 46 14.961 -15.965 5.904 342 HB3 SER 46 2HB SER 46 16.268 -17.088 5.473 343 HG SER 46 HG SER 46 16.323 -16.638 7.705 344 H GLU 47 H GLU 47 15.672 -13.125 3.449 345 HA GLU 47 HA GLU 47 14.987 -14.871 1.126 346 HB2 GLU 47 1HB GLU 47 13.085 -14.533 2.450 347 HB3 GLU 47 2HB GLU 47 13.361 -12.783 2.577 348 HG2 GLU 47 1HG GLU 47 12.655 -12.469 0.302 349 HG3 GLU 47 2HG GLU 47 12.652 -14.234 0.025 350 H LEU 48 H LEU 48 16.914 -12.365 2.200 351 HA LEU 48 HA LEU 48 16.769 -10.926 -0.418 352 HB2 LEU 48 1HB LEU 48 18.277 -10.045 2.065 353 HB3 LEU 48 2HB LEU 48 18.028 -9.151 0.568 354 HG LEU 48 HG LEU 48 16.059 -9.746 2.772 355 HD11 LEU 48 1HD1 LEU 48 16.915 -7.175 1.395 356 HD12 LEU 48 2HD1 LEU 48 17.460 -7.760 2.983 357 HD13 LEU 48 3HD1 LEU 48 15.764 -7.309 2.747 358 HD21 LEU 48 3HD2 LEU 48 15.304 -8.699 0.010 359 HD22 LEU 48 1HD2 LEU 48 14.249 -8.734 1.463 360 HD23 LEU 48 2HD2 LEU 48 14.764 -10.223 0.741 361 H GLU 49 H GLU 49 18.783 -10.419 -1.409 362 HA GLU 49 HA GLU 49 20.787 -12.594 -1.242 363 HB2 GLU 49 1HB GLU 49 20.051 -10.507 -3.335 364 HB3 GLU 49 2HB GLU 49 21.333 -11.706 -3.547 365 HG2 GLU 49 1HG GLU 49 19.783 -13.506 -3.613 366 HG3 GLU 49 2HG GLU 49 18.454 -12.544 -2.979 367 H GLU 50 H GLU 50 23.108 -11.941 -1.361 368 HA GLU 50 HA GLU 50 23.604 -9.183 -0.359 369 HB2 GLU 50 1HB GLU 50 25.392 -10.027 0.983 370 HB3 GLU 50 2HB GLU 50 23.923 -10.938 1.347 371 HG2 GLU 50 1HG GLU 50 24.812 -12.714 -0.328 372 HG3 GLU 50 2HG GLU 50 26.340 -11.833 -0.277 373 H GLN 51 H GLN 51 25.173 -8.006 -1.431 374 HA GLN 51 HA GLN 51 26.982 -9.323 -3.265 375 HB2 GLN 51 1HB GLN 51 26.230 -7.803 -5.194 376 HB3 GLN 51 2HB GLN 51 25.370 -9.291 -4.886 377 HG2 GLN 51 1HG GLN 51 24.398 -6.604 -3.895 378 HG3 GLN 51 2HG GLN 51 23.976 -7.260 -5.477 379 HE21 GLN 51 1HE2 GLN 51 22.941 -7.005 -2.311 380 HE22 GLN 51 2HE2 GLN 51 21.873 -8.406 -2.217 381 H PHE 52 H PHE 52 28.529 -7.977 -4.173 382 HA PHE 52 HA PHE 52 29.039 -5.390 -2.825 383 HB2 PHE 52 1HB PHE 52 31.164 -7.510 -3.207 384 HB3 PHE 52 2HB PHE 52 31.191 -6.115 -2.136 385 HD1 PHE 52 2HD PHE 52 29.747 -6.167 -0.027 386 HD2 PHE 52 1HD PHE 52 30.144 -9.619 -2.563 387 HE1 PHE 52 2HE PHE 52 28.618 -7.562 1.691 388 HE2 PHE 52 1HE PHE 52 29.016 -11.009 -0.853 389 HZ PHE 52 HZ PHE 52 28.210 -9.998 1.242 390 H VAL 53 H VAL 53 30.875 -4.227 -3.942 391 HA VAL 53 HA VAL 53 31.139 -4.879 -6.829 392 HB VAL 53 HB VAL 53 30.484 -2.192 -5.657 393 HG11 VAL 53 1HG1 VAL 53 30.528 -1.306 -7.956 394 HG12 VAL 53 2HG1 VAL 53 32.109 -1.935 -7.480 395 HG13 VAL 53 3HG1 VAL 53 31.062 -2.886 -8.557 396 HG21 VAL 53 3HG2 VAL 53 28.453 -2.278 -7.118 397 HG22 VAL 53 1HG2 VAL 53 28.911 -3.912 -7.631 398 HG23 VAL 53 2HG2 VAL 53 28.458 -3.608 -5.947 399 H LYS 54 H LYS 54 33.072 -5.365 -6.839 400 HA LYS 54 HA LYS 54 35.113 -4.341 -4.924 401 HB2 LYS 54 1HB LYS 54 35.236 -6.592 -6.974 402 HB3 LYS 54 2HB LYS 54 36.585 -6.105 -5.955 403 HG2 LYS 54 1HG LYS 54 35.842 -7.340 -4.240 404 HG3 LYS 54 2HG LYS 54 34.339 -6.444 -4.200 405 HD2 LYS 54 1HD LYS 54 33.697 -8.677 -4.379 406 HD3 LYS 54 2HD LYS 54 33.446 -8.022 -6.000 407 HE2 LYS 54 1HE LYS 54 35.610 -9.024 -6.735 408 HE3 LYS 54 2HE LYS 54 35.893 -9.597 -5.077 409 HZ1 LYS 54 3HZ LYS 54 35.056 -11.399 -6.332 410 HZ2 LYS 54 1HZ LYS 54 33.793 -10.555 -6.918 411 HZ3 LYS 54 2HZ LYS 54 33.838 -10.967 -5.341 412 H GLY 55 H GLY 55 34.179 -3.799 -8.260 413 HA2 GLY 55 1HA GLY 55 35.984 -1.576 -8.469 414 HA3 GLY 55 2HA GLY 55 36.532 -2.956 -9.442 415 H HIS 56 H HIS 56 35.875 -0.713 -10.830 416 HA HIS 56 HA HIS 56 33.056 -0.932 -11.729 417 HB2 HIS 56 1HB HIS 56 34.179 1.280 -11.216 418 HB3 HIS 56 2HB HIS 56 35.220 1.017 -12.617 419 HD1 HIS 56 1HD HIS 56 32.670 -0.109 -14.480 420 HD2 HIS 56 2HD HIS 56 33.020 3.450 -12.238 421 HE1 HIS 56 1HE HIS 56 31.051 1.588 -15.519 422 H GLY 57 H GLY 57 36.427 -1.485 -12.919 423 HA2 GLY 57 1HA GLY 57 36.099 -3.538 -14.606 424 HA3 GLY 57 2HA GLY 57 35.585 -2.147 -15.589 425 HA PRO 58 HA PRO 58 40.271 -2.334 -15.542 426 HB2 PRO 58 1HB PRO 58 40.748 -2.713 -18.204 427 HB3 PRO 58 2HB PRO 58 40.285 -4.070 -17.133 428 HG2 PRO 58 1HG PRO 58 38.481 -2.430 -18.950 429 HG3 PRO 58 2HG PRO 58 38.590 -4.216 -18.819 430 HD2 PRO 58 1HD PRO 58 36.702 -2.732 -17.497 431 HD3 PRO 58 2HD PRO 58 37.389 -4.237 -16.809 432 H GLY 59 H GLY 59 41.735 -0.858 -17.033 433 HA2 GLY 59 1HA GLY 59 40.350 1.702 -17.683 434 HA3 GLY 59 2HA GLY 59 41.867 1.625 -16.762 435 H GLY 60 H GLY 60 41.961 3.063 -19.070 436 HA2 GLY 60 1HA GLY 60 42.534 1.686 -21.465 437 HA3 GLY 60 2HA GLY 60 43.048 3.325 -21.066 438 H GLN 61 H GLN 61 44.398 1.385 -18.725 439 HA GLN 61 HA GLN 61 46.642 0.262 -20.116 440 HB2 GLN 61 1HB GLN 61 47.317 2.665 -20.171 441 HB3 GLN 61 2HB GLN 61 47.133 2.769 -18.417 442 HG2 GLN 61 1HG GLN 61 48.917 1.022 -18.157 443 HG3 GLN 61 2HG GLN 61 49.093 0.968 -19.918 444 HE21 GLN 61 1HE2 GLN 61 49.990 2.928 -21.017 445 HE22 GLN 61 2HE2 GLN 61 50.893 4.075 -20.032 446 H ALA 62 H ALA 62 46.082 1.815 -16.905 447 HA ALA 62 HA ALA 62 45.492 -0.685 -15.568 448 HB1 ALA 62 1HB ALA 62 48.013 0.936 -14.925 449 HB2 ALA 62 2HB ALA 62 47.371 -0.405 -13.950 450 HB3 ALA 62 3HB ALA 62 47.982 -0.715 -15.586 451 H THR 63 H THR 63 44.933 -0.065 -13.189 452 HA THR 63 HA THR 63 44.551 2.721 -12.550 453 HB THR 63 HB THR 63 42.144 0.901 -13.091 454 HG1 THR 63 1HG THR 63 43.454 2.605 -14.654 455 HG21 THR 63 3HG2 THR 63 41.691 2.327 -11.130 456 HG22 THR 63 1HG2 THR 63 40.768 2.888 -12.528 457 HG23 THR 63 2HG2 THR 63 42.228 3.768 -12.033 458 H ASN 64 H ASN 64 44.357 2.843 -10.242 459 HA ASN 64 HA ASN 64 44.095 0.295 -8.731 460 HB2 ASN 64 1HB ASN 64 46.425 2.233 -8.682 461 HB3 ASN 64 2HB ASN 64 45.890 1.476 -7.185 462 HD21 ASN 64 1HD2 ASN 64 48.112 0.973 -9.658 463 HD22 ASN 64 2HD2 ASN 64 48.182 -0.772 -9.478 464 H LYS 65 H LYS 65 42.001 0.856 -8.089 465 HA LYS 65 HA LYS 65 41.856 2.941 -6.067 466 HB2 LYS 65 1HB LYS 65 41.407 4.028 -8.400 467 HB3 LYS 65 2HB LYS 65 39.858 3.207 -8.359 468 HG2 LYS 65 1HG LYS 65 40.952 5.201 -6.311 469 HG3 LYS 65 2HG LYS 65 39.768 5.543 -7.574 470 HD2 LYS 65 1HD LYS 65 38.175 3.924 -6.466 471 HD3 LYS 65 2HD LYS 65 39.369 3.692 -5.189 472 HE2 LYS 65 1HE LYS 65 37.736 5.242 -4.394 473 HE3 LYS 65 2HE LYS 65 39.292 6.061 -4.586 474 HZ1 LYS 65 3HZ LYS 65 37.481 7.396 -5.428 475 HZ2 LYS 65 1HZ LYS 65 37.028 6.218 -6.484 476 HZ3 LYS 65 2HZ LYS 65 38.476 6.981 -6.668 477 H THR 66 H THR 66 41.585 0.962 -4.787 478 HA THR 66 HA THR 66 39.399 -0.841 -5.328 479 HB THR 66 HB THR 66 40.191 -1.573 -2.930 480 HG1 THR 66 1HG THR 66 42.307 -0.811 -2.477 481 HG21 THR 66 3HG2 THR 66 40.822 -2.752 -5.024 482 HG22 THR 66 1HG2 THR 66 42.159 -2.723 -3.864 483 HG23 THR 66 2HG2 THR 66 42.174 -1.622 -5.258 484 H SER 67 H SER 67 37.773 -1.268 -3.409 485 HA SER 67 HA SER 67 37.012 0.982 -1.813 486 HB2 SER 67 1HB SER 67 36.162 1.381 -4.301 487 HB3 SER 67 2HB SER 67 34.985 0.116 -3.903 488 HG SER 67 HG SER 67 33.941 1.758 -3.072 489 H ASN 68 H ASN 68 34.841 0.308 -0.692 490 HA ASN 68 HA ASN 68 34.627 -2.663 -0.351 491 HB2 ASN 68 1HB ASN 68 34.815 -0.449 1.725 492 HB3 ASN 68 2HB ASN 68 33.900 -1.909 2.071 493 HD21 ASN 68 1HD2 ASN 68 37.066 -0.639 2.129 494 HD22 ASN 68 2HD2 ASN 68 37.827 -2.186 2.450 495 H CYS 69 H CYS 69 33.221 -0.982 -2.228 496 HA CYS 69 HA CYS 69 30.713 -0.030 -1.361 497 HB2 CYS 69 1HB CYS 69 31.641 -1.149 -4.036 498 HB3 CYS 69 2HB CYS 69 30.108 -0.322 -3.782 499 HG CYS 69 HG CYS 69 31.614 1.336 -4.950 500 H VAL 70 H VAL 70 28.841 -0.956 -0.853 501 HA VAL 70 HA VAL 70 28.407 -3.834 -1.436 502 HB VAL 70 HB VAL 70 27.442 -2.244 0.983 503 HG11 VAL 70 1HG1 VAL 70 27.379 -5.228 0.353 504 HG12 VAL 70 2HG1 VAL 70 26.867 -4.481 1.875 505 HG13 VAL 70 3HG1 VAL 70 25.974 -4.132 0.395 506 HG21 VAL 70 3HG2 VAL 70 29.058 -3.785 2.235 507 HG22 VAL 70 1HG2 VAL 70 29.811 -4.115 0.653 508 HG23 VAL 70 2HG2 VAL 70 29.794 -2.478 1.293 509 H VAL 71 H VAL 71 26.425 -4.280 -2.402 510 HA VAL 71 HA VAL 71 24.559 -1.996 -2.722 511 HB VAL 71 HB VAL 71 24.144 -2.587 -5.008 512 HG11 VAL 71 1HG1 VAL 71 27.148 -2.264 -4.603 513 HG12 VAL 71 2HG1 VAL 71 26.182 -1.770 -6.018 514 HG13 VAL 71 3HG1 VAL 71 25.961 -0.957 -4.458 515 HG21 VAL 71 3HG2 VAL 71 25.762 -4.121 -6.243 516 HG22 VAL 71 1HG2 VAL 71 26.251 -4.769 -4.664 517 HG23 VAL 71 2HG2 VAL 71 24.562 -4.897 -5.235 518 H LEU 72 H LEU 72 22.314 -2.696 -2.944 519 HA LEU 72 HA LEU 72 21.829 -5.473 -2.085 520 HB2 LEU 72 1HB LEU 72 22.096 -4.172 0.017 521 HB3 LEU 72 2HB LEU 72 20.823 -3.069 -0.524 522 HG LEU 72 HG LEU 72 19.206 -4.983 -0.543 523 HD11 LEU 72 1HD1 LEU 72 20.598 -6.927 -0.879 524 HD12 LEU 72 2HD1 LEU 72 19.873 -7.063 0.718 525 HD13 LEU 72 3HD1 LEU 72 21.562 -6.544 0.570 526 HD21 LEU 72 3HD2 LEU 72 20.740 -4.566 2.047 527 HD22 LEU 72 1HD2 LEU 72 19.073 -5.184 1.909 528 HD23 LEU 72 2HD2 LEU 72 19.442 -3.521 1.411 529 H LYS 73 H LYS 73 19.878 -6.225 -2.795 530 HA LYS 73 HA LYS 73 18.094 -4.402 -4.282 531 HB2 LYS 73 1HB LYS 73 19.474 -5.226 -5.965 532 HB3 LYS 73 2HB LYS 73 19.665 -6.795 -5.227 533 HG2 LYS 73 1HG LYS 73 16.872 -6.083 -6.121 534 HG3 LYS 73 2HG LYS 73 18.094 -6.312 -7.370 535 HD2 LYS 73 1HD LYS 73 18.741 -8.499 -6.325 536 HD3 LYS 73 2HD LYS 73 17.346 -8.354 -5.234 537 HE2 LYS 73 1HE LYS 73 15.805 -8.449 -7.045 538 HE3 LYS 73 2HE LYS 73 17.072 -8.127 -8.235 539 HZ1 LYS 73 3HZ LYS 73 16.316 -10.607 -7.880 540 HZ2 LYS 73 1HZ LYS 73 17.285 -10.530 -6.545 541 HZ3 LYS 73 2HZ LYS 73 17.928 -10.288 -7.991 542 H HIS 74 H HIS 74 15.955 -4.934 -3.852 543 HA HIS 74 HA HIS 74 15.469 -7.069 -1.834 544 HB2 HIS 74 1HB HIS 74 14.394 -4.607 -2.009 545 HB3 HIS 74 2HB HIS 74 13.273 -5.399 -3.095 546 HD1 HIS 74 1HD HIS 74 11.060 -6.001 -1.620 547 HD2 HIS 74 2HD HIS 74 14.746 -6.279 0.456 548 HE1 HIS 74 1HE HIS 74 10.536 -6.749 0.711 549 H VAL 75 H VAL 75 14.307 -9.083 -2.397 550 HA VAL 75 HA VAL 75 14.241 -9.660 -5.212 551 HB VAL 75 HB VAL 75 13.270 -11.284 -2.829 552 HG11 VAL 75 1HG1 VAL 75 13.442 -12.036 -5.777 553 HG12 VAL 75 2HG1 VAL 75 13.221 -13.182 -4.439 554 HG13 VAL 75 3HG1 VAL 75 11.974 -11.989 -4.768 555 HG21 VAL 75 3HG2 VAL 75 15.609 -11.158 -2.722 556 HG22 VAL 75 1HG2 VAL 75 15.274 -12.699 -3.465 557 HG23 VAL 75 2HG2 VAL 75 15.818 -11.347 -4.479 558 HA PRO 76 HA PRO 76 9.479 -9.669 -4.993 559 HB2 PRO 76 1HB PRO 76 8.070 -8.783 -2.833 560 HB3 PRO 76 2HB PRO 76 8.757 -10.428 -2.917 561 HG2 PRO 76 1HG PRO 76 10.096 -7.977 -1.732 562 HG3 PRO 76 2HG PRO 76 9.709 -9.496 -0.863 563 HD2 PRO 76 1HD PRO 76 12.118 -9.202 -1.913 564 HD3 PRO 76 2HD PRO 76 11.241 -10.724 -2.272 565 H SER 77 H SER 77 11.344 -6.962 -4.092 566 HA SER 77 HA SER 77 9.264 -5.117 -5.223 567 HB2 SER 77 1HB SER 77 11.330 -4.216 -3.234 568 HB3 SER 77 2HB SER 77 9.835 -3.419 -3.736 569 HG SER 77 HG SER 77 8.709 -5.190 -2.737 570 H GLY 78 H GLY 78 12.413 -6.427 -5.654 571 HA2 GLY 78 1HA GLY 78 13.999 -6.084 -7.168 572 HA3 GLY 78 2HA GLY 78 12.889 -5.050 -8.060 573 H ILE 79 H ILE 79 12.900 -3.341 -5.418 574 HA ILE 79 HA ILE 79 14.352 -1.176 -6.111 575 HB ILE 79 HB ILE 79 13.961 -2.160 -3.255 576 HG12 ILE 79 1HG1 ILE 79 12.042 -0.361 -4.776 577 HG13 ILE 79 2HG1 ILE 79 11.811 -2.092 -4.630 578 HG21 ILE 79 1HG2 ILE 79 13.985 0.222 -2.642 579 HG22 ILE 79 2HG2 ILE 79 15.493 -0.199 -3.430 580 HG23 ILE 79 3HG2 ILE 79 14.234 0.680 -4.334 581 HD11 ILE 79 3HD1 ILE 79 11.830 -1.870 -2.124 582 HD12 ILE 79 1HD1 ILE 79 11.772 -0.106 -2.360 583 HD13 ILE 79 2HD1 ILE 79 10.468 -1.119 -2.970 584 H VAL 80 H VAL 80 16.501 -0.744 -6.398 585 HA VAL 80 HA VAL 80 18.499 -2.356 -4.926 586 HB VAL 80 HB VAL 80 18.950 -0.932 -7.547 587 HG11 VAL 80 1HG1 VAL 80 21.005 -1.423 -6.277 588 HG12 VAL 80 2HG1 VAL 80 20.523 -3.126 -6.124 589 HG13 VAL 80 3HG1 VAL 80 20.894 -2.422 -7.709 590 HG21 VAL 80 3HG2 VAL 80 17.331 -2.553 -8.120 591 HG22 VAL 80 1HG2 VAL 80 18.879 -3.267 -8.571 592 HG23 VAL 80 2HG2 VAL 80 18.052 -3.815 -7.099 593 H VAL 81 H VAL 81 20.180 -1.319 -3.892 594 HA VAL 81 HA VAL 81 20.388 1.622 -3.991 595 HB VAL 81 HB VAL 81 18.819 0.958 -2.135 596 HG11 VAL 81 1HG1 VAL 81 21.302 0.014 -0.632 597 HG12 VAL 81 2HG1 VAL 81 19.602 0.015 -0.084 598 HG13 VAL 81 3HG1 VAL 81 20.110 -1.081 -1.365 599 HG21 VAL 81 3HG2 VAL 81 21.325 2.430 -1.247 600 HG22 VAL 81 1HG2 VAL 81 20.002 3.125 -2.210 601 HG23 VAL 81 2HG2 VAL 81 19.702 2.567 -0.556 602 H LYS 82 H LYS 82 22.474 2.397 -3.397 603 HA LYS 82 HA LYS 82 24.638 0.340 -3.330 604 HB2 LYS 82 1HB LYS 82 24.570 3.053 -4.732 605 HB3 LYS 82 2HB LYS 82 25.919 1.921 -4.734 606 HG2 LYS 82 1HG LYS 82 24.603 0.278 -6.000 607 HG3 LYS 82 2HG LYS 82 23.169 1.301 -5.946 608 HD2 LYS 82 1HD LYS 82 25.764 2.217 -7.202 609 HD3 LYS 82 2HD LYS 82 24.553 1.322 -8.108 610 HE2 LYS 82 1HE LYS 82 23.907 3.929 -6.655 611 HE3 LYS 82 2HE LYS 82 24.530 3.879 -8.304 612 HZ1 LYS 82 3HZ LYS 82 22.622 2.654 -9.005 613 HZ2 LYS 82 1HZ LYS 82 22.154 4.022 -8.283 614 HZ3 LYS 82 2HZ LYS 82 21.962 2.638 -7.467 615 H CYS 83 H CYS 83 25.670 0.450 -1.321 616 HA CYS 83 HA CYS 83 25.893 3.151 -0.062 617 HB2 CYS 83 1HB CYS 83 25.344 0.495 1.301 618 HB3 CYS 83 2HB CYS 83 25.659 2.041 2.116 619 HG CYS 83 HG CYS 83 23.700 3.353 0.919 620 H HIS 84 H HIS 84 27.779 3.721 0.773 621 HA HIS 84 HA HIS 84 29.928 1.901 1.324 622 HB2 HIS 84 1HB HIS 84 30.184 2.183 -1.174 623 HB3 HIS 84 2HB HIS 84 30.331 3.926 -0.931 624 HD1 HIS 84 1HD HIS 84 32.883 4.582 -0.922 625 HD2 HIS 84 2HD HIS 84 32.022 0.837 0.779 626 HE1 HIS 84 1HE HIS 84 35.117 3.582 -0.197 627 H GLN 85 H GLN 85 30.456 2.810 3.342 628 HA GLN 85 HA GLN 85 31.021 5.655 3.447 629 HB2 GLN 85 1HB GLN 85 28.611 5.502 3.920 630 HB3 GLN 85 2HB GLN 85 28.884 4.304 5.185 631 HG2 GLN 85 1HG GLN 85 30.279 7.004 5.315 632 HG3 GLN 85 2HG GLN 85 28.569 6.840 5.686 633 HE21 GLN 85 1HE2 GLN 85 27.866 5.646 7.524 634 HE22 GLN 85 2HE2 GLN 85 28.966 5.338 8.845 635 H THR 86 H THR 86 30.408 2.887 5.695 636 HA THR 86 HA THR 86 32.804 3.426 7.159 637 HB THR 86 HB THR 86 32.196 1.033 8.063 638 HG1 THR 86 1HG THR 86 30.622 0.977 6.037 639 HG21 THR 86 3HG2 THR 86 30.423 1.943 9.463 640 HG22 THR 86 1HG2 THR 86 30.123 3.247 8.310 641 HG23 THR 86 2HG2 THR 86 31.653 3.190 9.212 642 H ARG 87 H ARG 87 34.746 2.280 7.220 643 HA ARG 87 HA ARG 87 35.774 1.216 4.732 644 HB2 ARG 87 1HB ARG 87 36.813 1.041 7.569 645 HB3 ARG 87 2HB ARG 87 37.728 0.624 6.112 646 HG2 ARG 87 1HG ARG 87 37.623 2.926 5.292 647 HG3 ARG 87 2HG ARG 87 36.555 3.407 6.626 648 HD2 ARG 87 1HD ARG 87 38.343 2.597 8.227 649 HD3 ARG 87 2HD ARG 87 39.389 2.375 6.821 650 HE ARG 87 HE ARG 87 39.769 4.621 6.737 651 HH11 ARG 87 1HH1 ARG 87 36.810 4.188 8.741 652 HH12 ARG 87 2HH1 ARG 87 36.911 5.741 9.445 653 HH21 ARG 87 1HH2 ARG 87 39.800 6.751 7.622 654 HH22 ARG 87 2HH2 ARG 87 38.592 7.258 8.739 655 H SER 88 H SER 88 34.192 -0.121 7.538 656 HA SER 88 HA SER 88 34.909 -2.872 7.194 657 HB2 SER 88 1HB SER 88 32.961 -1.242 8.867 658 HB3 SER 88 2HB SER 88 33.059 -2.989 9.010 659 HG SER 88 HG SER 88 34.438 -2.119 10.490 660 H VAL 89 H VAL 89 34.069 -4.114 5.569 661 HA VAL 89 HA VAL 89 31.703 -3.374 4.156 662 HB VAL 89 HB VAL 89 33.326 -4.651 3.030 663 HG11 VAL 89 1HG1 VAL 89 33.868 -7.010 3.495 664 HG12 VAL 89 2HG1 VAL 89 34.428 -5.930 4.760 665 HG13 VAL 89 3HG1 VAL 89 32.960 -6.922 5.017 666 HG21 VAL 89 3HG2 VAL 89 30.963 -6.520 3.436 667 HG22 VAL 89 1HG2 VAL 89 30.959 -5.058 2.431 668 HG23 VAL 89 2HG2 VAL 89 32.028 -6.395 2.018 669 H ASP 90 H ASP 90 32.281 -5.362 7.066 670 HA ASP 90 HA ASP 90 29.779 -6.551 7.318 671 HB2 ASP 90 1HB ASP 90 30.346 -7.123 9.423 672 HB3 ASP 90 2HB ASP 90 31.943 -6.654 8.869 673 H GLN 91 H GLN 91 30.738 -3.224 8.069 674 HA GLN 91 HA GLN 91 28.223 -2.517 9.319 675 HB2 GLN 91 1HB GLN 91 30.767 -1.045 8.529 676 HB3 GLN 91 2HB GLN 91 29.363 -0.233 9.187 677 HG2 GLN 91 1HG GLN 91 29.440 -1.833 11.159 678 HG3 GLN 91 2HG GLN 91 30.978 -2.420 10.520 679 HE21 GLN 91 1HE2 GLN 91 29.307 0.524 11.727 680 HE22 GLN 91 2HE2 GLN 91 30.761 1.210 12.413 681 H ASN 92 H ASN 92 29.873 -1.782 6.182 682 HA ASN 92 HA ASN 92 27.843 -0.188 5.078 683 HB2 ASN 92 1HB ASN 92 29.702 -2.136 3.696 684 HB3 ASN 92 2HB ASN 92 28.567 -1.089 2.818 685 HD21 ASN 92 1HD2 ASN 92 31.531 -1.011 2.509 686 HD22 ASN 92 2HD2 ASN 92 32.067 0.430 3.358 687 H ARG 93 H ARG 93 27.957 -3.733 5.324 688 HA ARG 93 HA ARG 93 25.691 -4.400 3.716 689 HB2 ARG 93 1HB ARG 93 26.984 -5.641 6.178 690 HB3 ARG 93 2HB ARG 93 25.524 -6.312 5.495 691 HG2 ARG 93 1HG ARG 93 26.706 -6.555 3.280 692 HG3 ARG 93 2HG ARG 93 28.193 -6.024 4.052 693 HD2 ARG 93 1HD ARG 93 26.597 -8.552 4.602 694 HD3 ARG 93 2HD ARG 93 28.217 -8.425 3.919 695 HE ARG 93 HE ARG 93 27.973 -7.328 6.601 696 HH11 ARG 93 1HH1 ARG 93 28.307 -10.447 4.857 697 HH12 ARG 93 2HH1 ARG 93 28.905 -11.248 6.277 698 HH21 ARG 93 1HH2 ARG 93 28.825 -8.540 8.426 699 HH22 ARG 93 2HH2 ARG 93 29.266 -10.187 8.182 700 H LYS 94 H LYS 94 25.818 -3.748 7.260 701 HA LYS 94 HA LYS 94 23.015 -3.899 7.673 702 HB2 LYS 94 1HB LYS 94 24.741 -1.960 9.272 703 HB3 LYS 94 2HB LYS 94 23.304 -2.863 9.779 704 HG2 LYS 94 1HG LYS 94 24.680 -4.968 9.330 705 HG3 LYS 94 2HG LYS 94 26.065 -3.852 9.173 706 HD2 LYS 94 1HD LYS 94 25.938 -3.209 11.487 707 HD3 LYS 94 2HD LYS 94 24.353 -3.995 11.678 708 HE2 LYS 94 1HE LYS 94 26.041 -5.458 12.641 709 HE3 LYS 94 2HE LYS 94 25.380 -6.191 11.174 710 HZ1 LYS 94 3HZ LYS 94 28.059 -5.024 11.548 711 HZ2 LYS 94 1HZ LYS 94 27.423 -5.171 10.036 712 HZ3 LYS 94 2HZ LYS 94 27.627 -6.474 10.945 713 H ILE 95 H ILE 95 25.111 -1.146 6.782 714 HA ILE 95 HA ILE 95 23.135 0.782 7.059 715 HB ILE 95 HB ILE 95 25.539 0.767 5.183 716 HG12 ILE 95 1HG1 ILE 95 25.120 2.088 7.910 717 HG13 ILE 95 2HG1 ILE 95 25.994 0.602 7.677 718 HG21 ILE 95 1HG2 ILE 95 25.305 3.219 5.038 719 HG22 ILE 95 2HG2 ILE 95 23.872 2.428 4.389 720 HG23 ILE 95 3HG2 ILE 95 23.825 3.143 6.019 721 HD11 ILE 95 3HD1 ILE 95 26.846 3.334 6.679 722 HD12 ILE 95 1HD1 ILE 95 27.614 2.323 7.901 723 HD13 ILE 95 2HD1 ILE 95 27.642 1.817 6.202 724 H ALA 96 H ALA 96 24.101 -1.142 4.160 725 HA ALA 96 HA ALA 96 22.190 -0.048 2.381 726 HB1 ALA 96 1HB ALA 96 23.357 -2.867 2.388 727 HB2 ALA 96 2HB ALA 96 22.672 -1.997 0.997 728 HB3 ALA 96 3HB ALA 96 24.183 -1.434 1.750 729 H ARG 97 H ARG 97 21.960 -2.851 4.603 730 HA ARG 97 HA ARG 97 19.340 -3.653 3.799 731 HB2 ARG 97 1HB ARG 97 21.273 -4.655 5.537 732 HB3 ARG 97 2HB ARG 97 20.059 -4.072 6.654 733 HG2 ARG 97 1HG ARG 97 19.168 -6.124 6.359 734 HG3 ARG 97 2HG ARG 97 18.421 -5.406 4.946 735 HD2 ARG 97 1HD ARG 97 19.370 -7.486 4.225 736 HD3 ARG 97 2HD ARG 97 20.444 -6.242 3.599 737 HE ARG 97 HE ARG 97 22.145 -7.180 4.791 738 HH11 ARG 97 1HH1 ARG 97 19.132 -8.432 6.191 739 HH12 ARG 97 2HH1 ARG 97 19.964 -9.497 7.277 740 HH21 ARG 97 1HH2 ARG 97 23.154 -8.631 6.134 741 HH22 ARG 97 2HH2 ARG 97 22.243 -9.733 7.127 742 H LYS 98 H LYS 98 20.343 -1.524 6.521 743 HA LYS 98 HA LYS 98 17.691 -1.042 7.330 744 HB2 LYS 98 1HB LYS 98 18.519 0.352 8.941 745 HB3 LYS 98 2HB LYS 98 19.810 -0.771 8.653 746 HG2 LYS 98 1HG LYS 98 20.962 1.142 8.906 747 HG3 LYS 98 2HG LYS 98 20.826 1.119 7.160 748 HD2 LYS 98 1HD LYS 98 19.032 2.786 7.222 749 HD3 LYS 98 2HD LYS 98 18.930 2.642 8.995 750 HE2 LYS 98 1HE LYS 98 21.404 3.323 9.063 751 HE3 LYS 98 2HE LYS 98 21.235 3.761 7.354 752 HZ1 LYS 98 3HZ LYS 98 20.929 5.639 8.761 753 HZ2 LYS 98 1HZ LYS 98 19.715 4.937 9.612 754 HZ3 LYS 98 2HZ LYS 98 19.498 5.335 8.030 755 H VAL 99 H VAL 99 19.713 0.891 4.998 756 HA VAL 99 HA VAL 99 17.650 2.868 4.788 757 HB VAL 99 HB VAL 99 20.008 3.213 4.045 758 HG11 VAL 99 1HG1 VAL 99 20.705 2.615 1.796 759 HG12 VAL 99 2HG1 VAL 99 20.469 1.195 2.823 760 HG13 VAL 99 3HG1 VAL 99 19.265 1.608 1.589 761 HG21 VAL 99 3HG2 VAL 99 17.913 3.752 1.889 762 HG22 VAL 99 1HG2 VAL 99 18.115 4.706 3.352 763 HG23 VAL 99 2HG2 VAL 99 19.415 4.663 2.153 764 H LEU 100 H LEU 100 18.172 -0.266 3.179 765 HA LEU 100 HA LEU 100 16.175 0.067 1.181 766 HB2 LEU 100 1HB LEU 100 17.795 -1.703 1.014 767 HB3 LEU 100 2HB LEU 100 17.197 -2.472 2.490 768 HG LEU 100 HG LEU 100 15.083 -3.053 1.430 769 HD11 LEU 100 1HD1 LEU 100 14.943 -2.644 -1.152 770 HD12 LEU 100 2HD1 LEU 100 16.084 -1.321 -0.850 771 HD13 LEU 100 3HD1 LEU 100 14.500 -1.342 -0.078 772 HD21 LEU 100 3HD2 LEU 100 17.466 -3.687 -0.330 773 HD22 LEU 100 1HD2 LEU 100 15.943 -4.584 -0.312 774 HD23 LEU 100 2HD2 LEU 100 16.952 -4.576 1.135 775 H GLN 101 H GLN 101 15.898 -1.063 4.601 776 HA GLN 101 HA GLN 101 13.212 -1.876 4.406 777 HB2 GLN 101 1HB GLN 101 14.915 -2.202 6.304 778 HB3 GLN 101 2HB GLN 101 14.378 -0.631 6.906 779 HG2 GLN 101 1HG GLN 101 12.062 -1.480 7.086 780 HG3 GLN 101 2HG GLN 101 12.547 -3.007 6.374 781 HE21 GLN 101 1HE2 GLN 101 11.251 -3.032 8.765 782 HE22 GLN 101 2HE2 GLN 101 12.316 -3.453 10.087 783 H GLU 102 H GLU 102 14.462 1.435 4.356 784 HA GLU 102 HA GLU 102 11.892 2.637 5.141 785 HB2 GLU 102 1HB GLU 102 14.292 3.904 3.729 786 HB3 GLU 102 2HB GLU 102 12.894 4.739 4.417 787 HG2 GLU 102 1HG GLU 102 13.572 3.592 6.636 788 HG3 GLU 102 2HG GLU 102 15.146 3.338 5.876 789 H LYS 103 H LYS 103 13.411 1.428 2.294 790 HA LYS 103 HA LYS 103 11.667 2.841 0.362 791 HB2 LYS 103 1HB LYS 103 13.505 0.541 -0.286 792 HB3 LYS 103 2HB LYS 103 12.849 1.783 -1.359 793 HG2 LYS 103 1HG LYS 103 14.148 3.499 -0.131 794 HG3 LYS 103 2HG LYS 103 14.867 2.227 0.868 795 HD2 LYS 103 1HD LYS 103 15.809 1.193 -1.206 796 HD3 LYS 103 2HD LYS 103 15.228 2.595 -2.114 797 HE2 LYS 103 1HE LYS 103 17.132 2.661 0.278 798 HE3 LYS 103 2HE LYS 103 17.622 2.811 -1.419 799 HZ1 LYS 103 3HZ LYS 103 17.428 5.020 -0.517 800 HZ2 LYS 103 1HZ LYS 103 15.954 4.715 0.130 801 HZ3 LYS 103 2HZ LYS 103 16.113 4.825 -1.481 802 H VAL 104 H VAL 104 12.048 -0.487 1.638 803 HA VAL 104 HA VAL 104 10.025 -1.658 0.009 804 HB VAL 104 HB VAL 104 10.982 -2.408 2.805 805 HG11 VAL 104 1HG1 VAL 104 9.491 -4.091 0.724 806 HG12 VAL 104 2HG1 VAL 104 10.162 -4.692 2.259 807 HG13 VAL 104 3HG1 VAL 104 8.822 -3.539 2.272 808 HG21 VAL 104 3HG2 VAL 104 12.427 -4.015 1.660 809 HG22 VAL 104 1HG2 VAL 104 11.836 -3.473 0.075 810 HG23 VAL 104 2HG2 VAL 104 12.796 -2.394 1.095 811 H ASP 105 H ASP 105 9.835 0.016 3.229 812 HA ASP 105 HA ASP 105 7.157 -0.408 3.761 813 HB2 ASP 105 1HB ASP 105 8.845 0.641 5.260 814 HB3 ASP 105 2HB ASP 105 8.771 2.122 4.287 815 H VAL 106 H VAL 106 8.390 2.626 2.234 816 HA VAL 106 HA VAL 106 5.884 3.625 1.520 817 HB VAL 106 HB VAL 106 7.884 4.961 1.694 818 HG11 VAL 106 1HG1 VAL 106 9.548 3.508 0.696 819 HG12 VAL 106 2HG1 VAL 106 8.839 3.730 -0.911 820 HG13 VAL 106 3HG1 VAL 106 9.575 5.111 -0.034 821 HG21 VAL 106 3HG2 VAL 106 5.969 5.816 0.374 822 HG22 VAL 106 1HG2 VAL 106 7.515 6.468 -0.175 823 HG23 VAL 106 2HG2 VAL 106 6.708 5.190 -1.110 824 H PHE 107 H PHE 107 7.919 1.282 -0.192 825 HA PHE 107 HA PHE 107 6.496 1.402 -2.688 826 HB2 PHE 107 1HB PHE 107 8.748 0.468 -2.351 827 HB3 PHE 107 2HB PHE 107 8.103 -0.827 -1.377 828 HD1 PHE 107 2HD PHE 107 7.788 0.590 -4.845 829 HD2 PHE 107 1HD PHE 107 7.311 -2.853 -2.291 830 HE1 PHE 107 2HE PHE 107 7.261 -0.806 -6.817 831 HE2 PHE 107 1HE PHE 107 6.755 -4.243 -4.271 832 HZ PHE 107 HZ PHE 107 6.734 -3.225 -6.524 833 H TYR 108 H TYR 108 6.102 -0.580 0.290 834 HA TYR 108 HA TYR 108 3.930 -2.183 -0.740 835 HB2 TYR 108 1HB TYR 108 5.247 -1.673 1.923 836 HB3 TYR 108 2HB TYR 108 3.633 -2.331 1.938 837 HD1 TYR 108 1HD TYR 108 6.748 -2.951 -0.109 838 HD2 TYR 108 2HD TYR 108 3.602 -4.642 2.301 839 HE1 TYR 108 1HE TYR 108 7.605 -5.226 -0.595 840 HE2 TYR 108 2HE TYR 108 4.426 -6.918 1.782 841 HH TYR 108 HH TYR 108 5.797 -8.126 0.265 842 H ASN 109 H ASN 109 4.183 0.984 0.747 843 HA ASN 109 HA ASN 109 1.326 1.270 1.328 844 HB2 ASN 109 1HB ASN 109 3.600 3.310 1.148 845 HB3 ASN 109 2HB ASN 109 1.946 3.726 1.526 846 HD21 ASN 109 1HD2 ASN 109 4.845 2.313 2.813 847 HD22 ASN 109 2HD2 ASN 109 4.343 2.313 4.459 848 H SER 110 H SER 110 3.544 2.206 -1.338 849 HA SER 110 HA SER 110 1.234 3.234 -2.883 850 HB2 SER 110 1HB SER 110 2.990 4.824 -1.798 851 HB3 SER 110 2HB SER 110 4.064 4.266 -3.079 852 HG SER 110 HG SER 110 2.983 6.119 -3.641 853 H GLY 111 H GLY 111 0.867 1.448 -4.146 854 HA2 GLY 111 1HA GLY 111 2.771 0.983 -6.335 855 HA3 GLY 111 2HA GLY 111 2.644 -0.368 -5.230 856 HA PRO 112 HA PRO 112 -1.652 -0.381 -7.190 857 HB2 PRO 112 1HB PRO 112 -2.584 1.555 -8.872 858 HB3 PRO 112 2HB PRO 112 -2.676 1.686 -7.089 859 HG2 PRO 112 1HG PRO 112 -0.627 2.891 -8.944 860 HG3 PRO 112 2HG PRO 112 -1.485 3.682 -7.593 861 HD2 PRO 112 1HD PRO 112 1.061 2.667 -7.334 862 HD3 PRO 112 2HD PRO 112 -0.126 2.637 -5.997 863 H SER 113 H SER 113 1.030 0.866 -9.173 864 HA SER 113 HA SER 113 0.212 -0.745 -11.505 865 HB2 SER 113 1HB SER 113 1.183 1.527 -11.790 866 HB3 SER 113 2HB SER 113 2.698 0.956 -11.058 867 HG SER 113 HG SER 113 2.565 -0.711 -12.778 868 H SER 114 H SER 114 1.720 -1.383 -8.536 869 HA SER 114 HA SER 114 3.584 -3.403 -9.628 870 HB2 SER 114 1HB SER 114 3.349 -1.968 -6.951 871 HB3 SER 114 2HB SER 114 4.422 -3.349 -7.222 872 HG SER 114 HG SER 114 5.560 -2.255 -8.693 873 H GLY 115 H GLY 115 3.754 -5.295 -8.077 874 HA2 GLY 115 1HA GLY 115 1.786 -6.384 -6.507 875 HA3 GLY 115 2HA GLY 115 1.415 -6.874 -8.187 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -42.479 100.420 -1.121 2 HA2 GLY 1 1HA GLY 1 -40.219 99.942 -0.286 3 HA3 GLY 1 2HA GLY 1 -40.949 99.703 1.327 4 H SER 2 H SER 2 -39.420 97.599 0.089 5 HA SER 2 HA SER 2 -41.518 95.572 -0.287 6 HB2 SER 2 1HB SER 2 -38.987 95.736 -1.983 7 HB3 SER 2 2HB SER 2 -40.382 94.665 -2.195 8 HG SER 2 HG SER 2 -40.574 96.323 -3.666 9 H SER 3 H SER 3 -40.267 93.312 -0.151 10 HA SER 3 HA SER 3 -37.905 93.255 1.504 11 HB2 SER 3 1HB SER 3 -40.608 92.296 2.566 12 HB3 SER 3 2HB SER 3 -39.029 92.039 3.349 13 HG SER 3 HG SER 3 -39.292 94.643 2.826 14 H GLY 4 H GLY 4 -37.702 90.699 2.079 15 HA2 GLY 4 1HA GLY 4 -37.633 89.339 -0.463 16 HA3 GLY 4 2HA GLY 4 -37.130 88.710 1.134 17 H SER 5 H SER 5 -40.144 89.669 -0.534 18 HA SER 5 HA SER 5 -41.900 87.979 0.955 19 HB2 SER 5 1HB SER 5 -42.433 90.076 -0.435 20 HB3 SER 5 2HB SER 5 -42.369 89.006 -1.864 21 HG SER 5 HG SER 5 -44.487 89.160 -1.027 22 H SER 6 H SER 6 -41.693 85.755 0.955 23 HA SER 6 HA SER 6 -41.722 84.295 -1.513 24 HB2 SER 6 1HB SER 6 -39.266 84.888 -1.106 25 HB3 SER 6 2HB SER 6 -39.349 83.905 0.363 26 HG SER 6 HG SER 6 -38.562 82.817 -1.512 27 H GLY 7 H GLY 7 -41.470 81.849 -0.747 28 HA2 GLY 7 1HA GLY 7 -41.956 80.716 1.656 29 HA3 GLY 7 2HA GLY 7 -43.548 81.400 1.262 30 H LYS 8 H LYS 8 -41.624 78.632 0.878 31 HA LYS 8 HA LYS 8 -43.425 77.497 -1.100 32 HB2 LYS 8 1HB LYS 8 -40.385 77.540 -1.563 33 HB3 LYS 8 2HB LYS 8 -41.569 76.590 -2.476 34 HG2 LYS 8 1HG LYS 8 -42.706 78.767 -3.098 35 HG3 LYS 8 2HG LYS 8 -41.325 79.622 -2.377 36 HD2 LYS 8 1HD LYS 8 -39.834 78.395 -4.011 37 HD3 LYS 8 2HD LYS 8 -41.298 77.797 -4.808 38 HE2 LYS 8 1HE LYS 8 -40.428 80.700 -4.418 39 HE3 LYS 8 2HE LYS 8 -40.491 79.820 -5.950 40 HZ1 LYS 8 3HZ LYS 8 -42.903 79.731 -5.715 41 HZ2 LYS 8 1HZ LYS 8 -42.389 81.293 -5.652 42 HZ3 LYS 8 2HZ LYS 8 -42.831 80.522 -4.272 43 H TRP 9 H TRP 9 -43.629 75.252 -0.622 44 HA TRP 9 HA TRP 9 -41.753 73.962 1.206 45 HB2 TRP 9 1HB TRP 9 -44.693 74.547 1.814 46 HB3 TRP 9 2HB TRP 9 -43.821 73.222 2.563 47 HD1 TRP 9 HD TRP 9 -44.555 76.780 3.115 48 HE1 TRP 9 1HE TRP 9 -43.190 77.682 5.092 49 HE3 TRP 9 3HE TRP 9 -41.221 72.929 3.629 50 HZ2 TRP 9 2HZ TRP 9 -40.929 76.844 6.695 51 HZ3 TRP 9 3HZ TRP 9 -39.489 72.999 5.404 52 HH2 TRP 9 HH TRP 9 -39.338 74.946 6.937 53 H GLY 10 H GLY 10 -42.379 71.611 1.361 54 HA2 GLY 10 1HA GLY 10 -44.246 70.133 0.182 55 HA3 GLY 10 2HA GLY 10 -43.217 70.554 -1.213 56 H LEU 11 H LEU 11 -43.552 67.859 -0.061 57 HA LEU 11 HA LEU 11 -40.754 67.164 0.349 58 HB2 LEU 11 1HB LEU 11 -42.976 66.684 2.383 59 HB3 LEU 11 2HB LEU 11 -41.671 65.527 2.218 60 HG LEU 11 HG LEU 11 -41.225 68.452 2.883 61 HD11 LEU 11 1HD1 LEU 11 -40.825 67.673 5.182 62 HD12 LEU 11 2HD1 LEU 11 -41.257 66.015 4.711 63 HD13 LEU 11 3HD1 LEU 11 -42.476 67.308 4.667 64 HD21 LEU 11 3HD2 LEU 11 -39.344 66.043 2.952 65 HD22 LEU 11 1HD2 LEU 11 -38.970 67.653 3.598 66 HD23 LEU 11 2HD2 LEU 11 -39.224 67.453 1.870 67 H ARG 12 H ARG 12 -40.462 64.909 -0.100 68 HA ARG 12 HA ARG 12 -42.648 63.224 -0.958 69 HB2 ARG 12 1HB ARG 12 -42.481 64.655 -2.940 70 HB3 ARG 12 2HB ARG 12 -40.744 64.403 -3.052 71 HG2 ARG 12 1HG ARG 12 -42.695 62.066 -3.211 72 HG3 ARG 12 2HG ARG 12 -42.381 63.105 -4.603 73 HD2 ARG 12 1HD ARG 12 -39.869 62.592 -4.257 74 HD3 ARG 12 2HD ARG 12 -40.394 61.309 -3.167 75 HE ARG 12 HE ARG 12 -41.071 60.028 -4.923 76 HH11 ARG 12 1HH1 ARG 12 -40.472 63.283 -6.166 77 HH12 ARG 12 2HH1 ARG 12 -40.625 62.839 -7.830 78 HH21 ARG 12 1HH2 ARG 12 -41.265 59.413 -7.031 79 HH22 ARG 12 2HH2 ARG 12 -41.114 60.513 -8.367 80 H LEU 13 H LEU 13 -41.912 61.277 -0.153 81 HA LEU 13 HA LEU 13 -39.005 60.742 -0.155 82 HB2 LEU 13 1HB LEU 13 -41.201 60.026 1.843 83 HB3 LEU 13 2HB LEU 13 -39.733 59.103 1.724 84 HG LEU 13 HG LEU 13 -39.551 60.574 3.564 85 HD11 LEU 13 1HD1 LEU 13 -37.413 61.605 3.144 86 HD12 LEU 13 2HD1 LEU 13 -37.693 61.624 1.390 87 HD13 LEU 13 3HD1 LEU 13 -37.494 60.081 2.250 88 HD21 LEU 13 3HD2 LEU 13 -41.073 62.389 2.759 89 HD22 LEU 13 1HD2 LEU 13 -39.745 62.983 1.727 90 HD23 LEU 13 2HD2 LEU 13 -39.561 62.962 3.486 91 H GLN 14 H GLN 14 -38.537 58.259 -0.310 92 HA GLN 14 HA GLN 14 -40.545 56.887 -1.855 93 HB2 GLN 14 1HB GLN 14 -39.366 58.720 -3.425 94 HB3 GLN 14 2HB GLN 14 -38.050 57.576 -3.469 95 HG2 GLN 14 1HG GLN 14 -39.273 56.728 -5.224 96 HG3 GLN 14 2HG GLN 14 -40.108 55.847 -3.937 97 HE21 GLN 14 1HE2 GLN 14 -41.804 57.615 -2.805 98 HE22 GLN 14 2HE2 GLN 14 -42.664 58.661 -3.809 99 H GLU 15 H GLU 15 -39.769 55.723 0.207 100 HA GLU 15 HA GLU 15 -37.355 54.238 -0.276 101 HB2 GLU 15 1HB GLU 15 -39.423 54.015 1.971 102 HB3 GLU 15 2HB GLU 15 -37.847 53.218 1.955 103 HG2 GLU 15 1HG GLU 15 -37.727 55.197 3.350 104 HG3 GLU 15 2HG GLU 15 -36.667 55.366 1.977 105 H LYS 16 H LYS 16 -37.607 51.712 0.431 106 HA LYS 16 HA LYS 16 -39.760 50.470 -1.161 107 HB2 LYS 16 1HB LYS 16 -36.761 50.358 -1.674 108 HB3 LYS 16 2HB LYS 16 -37.747 48.949 -2.022 109 HG2 LYS 16 1HG LYS 16 -39.173 50.267 -3.556 110 HG3 LYS 16 2HG LYS 16 -38.224 51.719 -3.199 111 HD2 LYS 16 1HD LYS 16 -37.494 50.786 -5.295 112 HD3 LYS 16 2HD LYS 16 -36.201 50.649 -4.088 113 HE2 LYS 16 1HE LYS 16 -36.861 48.251 -3.719 114 HE3 LYS 16 2HE LYS 16 -38.084 48.416 -4.984 115 HZ1 LYS 16 3HZ LYS 16 -36.052 47.430 -5.815 116 HZ2 LYS 16 1HZ LYS 16 -35.166 48.733 -5.348 117 HZ3 LYS 16 2HZ LYS 16 -36.291 48.888 -6.543 118 HA PRO 17 HA PRO 17 -39.461 47.539 2.118 119 HB2 PRO 17 1HB PRO 17 -40.225 45.164 0.965 120 HB3 PRO 17 2HB PRO 17 -41.367 46.521 1.235 121 HG2 PRO 17 1HG PRO 17 -39.886 45.812 -1.314 122 HG3 PRO 17 2HG PRO 17 -41.629 46.207 -1.116 123 HD2 PRO 17 1HD PRO 17 -39.792 48.066 -1.926 124 HD3 PRO 17 2HD PRO 17 -41.164 48.513 -0.873 125 H ALA 18 H ALA 18 -37.888 46.168 3.004 126 HA ALA 18 HA ALA 18 -35.402 45.918 1.528 127 HB1 ALA 18 1HB ALA 18 -36.239 44.835 4.262 128 HB2 ALA 18 2HB ALA 18 -34.582 44.892 3.629 129 HB3 ALA 18 3HB ALA 18 -35.449 46.404 3.965 130 H LEU 19 H LEU 19 -34.310 43.868 1.076 131 HA LEU 19 HA LEU 19 -35.749 41.368 1.227 132 HB2 LEU 19 1HB LEU 19 -36.679 42.386 -0.853 133 HB3 LEU 19 2HB LEU 19 -35.041 42.675 -1.443 134 HG LEU 19 HG LEU 19 -34.637 40.235 -1.586 135 HD11 LEU 19 1HD1 LEU 19 -37.551 39.964 -0.694 136 HD12 LEU 19 2HD1 LEU 19 -36.130 39.392 0.205 137 HD13 LEU 19 3HD1 LEU 19 -36.538 38.649 -1.335 138 HD21 LEU 19 3HD2 LEU 19 -36.134 39.783 -3.466 139 HD22 LEU 19 1HD2 LEU 19 -35.542 41.448 -3.521 140 HD23 LEU 19 2HD2 LEU 19 -37.201 41.115 -2.967 141 H LEU 20 H LEU 20 -34.171 39.591 0.813 142 HA LEU 20 HA LEU 20 -31.399 40.277 0.377 143 HB2 LEU 20 1HB LEU 20 -30.783 38.931 2.349 144 HB3 LEU 20 2HB LEU 20 -31.544 40.456 2.746 145 HG LEU 20 HG LEU 20 -33.678 39.202 3.257 146 HD11 LEU 20 1HD1 LEU 20 -31.900 36.742 2.903 147 HD12 LEU 20 2HD1 LEU 20 -33.440 37.089 2.074 148 HD13 LEU 20 3HD1 LEU 20 -33.436 36.749 3.794 149 HD21 LEU 20 3HD2 LEU 20 -32.079 39.913 4.996 150 HD22 LEU 20 1HD2 LEU 20 -31.198 38.380 4.824 151 HD23 LEU 20 2HD2 LEU 20 -32.869 38.393 5.431 152 H PHE 21 H PHE 21 -30.249 37.931 0.475 153 HA PHE 21 HA PHE 21 -31.951 35.982 -0.971 154 HB2 PHE 21 1HB PHE 21 -29.096 36.880 -1.553 155 HB3 PHE 21 2HB PHE 21 -29.831 35.461 -2.260 156 HD1 PHE 21 1HD PHE 21 -31.605 35.618 -3.960 157 HD2 PHE 21 2HD PHE 21 -29.777 39.153 -2.297 158 HE1 PHE 21 1HE PHE 21 -32.541 36.973 -5.808 159 HE2 PHE 21 2HE PHE 21 -30.724 40.506 -4.147 160 HZ PHE 21 HZ PHE 21 -32.107 39.419 -5.909 161 HA PRO 22 HA PRO 22 -30.287 33.355 2.187 162 HB2 PRO 22 1HB PRO 22 -30.437 30.854 1.101 163 HB3 PRO 22 2HB PRO 22 -31.901 31.813 1.482 164 HG2 PRO 22 1HG PRO 22 -30.504 31.528 -1.199 165 HG3 PRO 22 2HG PRO 22 -32.254 31.358 -0.842 166 HD2 PRO 22 1HD PRO 22 -31.149 33.680 -1.794 167 HD3 PRO 22 2HD PRO 22 -32.529 33.696 -0.660 168 H GLY 23 H GLY 23 -28.428 31.956 2.708 169 HA2 GLY 23 1HA GLY 23 -26.165 32.052 0.777 170 HA3 GLY 23 2HA GLY 23 -25.999 32.498 2.492 171 H MET 24 H MET 24 -24.474 30.334 1.426 172 HA MET 24 HA MET 24 -25.599 28.118 2.998 173 HB2 MET 24 1HB MET 24 -26.249 27.914 0.514 174 HB3 MET 24 2HB MET 24 -24.525 27.680 0.183 175 HG2 MET 24 1HG MET 24 -24.534 25.762 1.805 176 HG3 MET 24 2HG MET 24 -26.267 25.995 2.025 177 HE1 MET 24 3HE MET 24 -27.271 26.572 -1.065 178 HE2 MET 24 1HE MET 24 -27.723 24.905 -1.467 179 HE3 MET 24 2HE MET 24 -28.092 25.554 0.146 180 H ALA 25 H ALA 25 -24.041 27.198 4.178 181 HA ALA 25 HA ALA 25 -21.220 27.192 3.477 182 HB1 ALA 25 1HB ALA 25 -21.406 29.391 4.591 183 HB2 ALA 25 2HB ALA 25 -22.251 28.644 5.971 184 HB3 ALA 25 3HB ALA 25 -20.556 28.235 5.632 185 H ALA 26 H ALA 26 -22.521 25.064 3.269 186 HA ALA 26 HA ALA 26 -23.103 23.671 5.815 187 HB1 ALA 26 1HB ALA 26 -24.669 23.499 3.856 188 HB2 ALA 26 2HB ALA 26 -23.347 22.778 2.901 189 HB3 ALA 26 3HB ALA 26 -23.994 21.934 4.324 190 H SER 27 H SER 27 -22.263 21.217 5.612 191 HA SER 27 HA SER 27 -19.454 21.343 5.936 192 HB2 SER 27 1HB SER 27 -21.196 19.608 6.796 193 HB3 SER 27 2HB SER 27 -20.965 18.809 5.242 194 HG SER 27 HG SER 27 -19.452 17.884 6.320 195 H THR 28 H THR 28 -17.769 20.799 4.530 196 HA THR 28 HA THR 28 -18.427 20.065 1.748 197 HB THR 28 HB THR 28 -16.611 22.395 2.464 198 HG1 THR 28 1HG THR 28 -18.984 22.686 2.849 199 HG21 THR 28 3HG2 THR 28 -16.161 21.340 0.275 200 HG22 THR 28 1HG2 THR 28 -16.861 22.960 0.073 201 HG23 THR 28 2HG2 THR 28 -17.883 21.536 -0.166 202 H VAL 29 H VAL 29 -16.932 18.598 0.995 203 HA VAL 29 HA VAL 29 -14.410 18.250 2.505 204 HB VAL 29 HB VAL 29 -14.794 15.813 2.479 205 HG11 VAL 29 1HG1 VAL 29 -16.981 17.362 3.949 206 HG12 VAL 29 2HG1 VAL 29 -16.462 15.728 4.312 207 HG13 VAL 29 3HG1 VAL 29 -15.323 17.071 4.515 208 HG21 VAL 29 3HG2 VAL 29 -17.027 14.859 2.112 209 HG22 VAL 29 1HG2 VAL 29 -17.654 16.433 1.608 210 HG23 VAL 29 2HG2 VAL 29 -16.421 15.602 0.631 211 H GLN 30 H GLN 30 -12.786 17.063 1.278 212 HA GLN 30 HA GLN 30 -13.215 16.796 -1.620 213 HB2 GLN 30 1HB GLN 30 -11.145 18.604 -0.266 214 HB3 GLN 30 2HB GLN 30 -11.016 18.050 -1.930 215 HG2 GLN 30 1HG GLN 30 -13.335 19.076 -2.322 216 HG3 GLN 30 2HG GLN 30 -13.121 19.892 -0.765 217 HE21 GLN 30 1HE2 GLN 30 -12.465 20.119 -4.174 218 HE22 GLN 30 2HE2 GLN 30 -11.466 21.530 -4.004 219 H VAL 31 H VAL 31 -11.095 15.929 -2.556 220 HA VAL 31 HA VAL 31 -10.406 13.493 -1.204 221 HB VAL 31 HB VAL 31 -9.429 14.820 -3.774 222 HG11 VAL 31 1HG1 VAL 31 -9.413 11.891 -3.016 223 HG12 VAL 31 2HG1 VAL 31 -8.951 12.553 -4.579 224 HG13 VAL 31 3HG1 VAL 31 -7.959 12.929 -3.182 225 HG21 VAL 31 3HG2 VAL 31 -11.116 13.340 -4.905 226 HG22 VAL 31 1HG2 VAL 31 -11.677 12.790 -3.309 227 HG23 VAL 31 2HG2 VAL 31 -11.930 14.455 -3.823 228 H ALA 32 H ALA 32 -7.933 12.911 -1.036 229 HA ALA 32 HA ALA 32 -6.261 15.217 -0.280 230 HB1 ALA 32 1HB ALA 32 -5.644 14.038 1.840 231 HB2 ALA 32 2HB ALA 32 -7.358 14.476 1.804 232 HB3 ALA 32 3HB ALA 32 -6.867 12.799 1.478 233 H GLY 33 H GLY 33 -3.969 14.247 0.306 234 HA2 GLY 33 1HA GLY 33 -3.254 12.041 -1.592 235 HA3 GLY 33 2HA GLY 33 -2.390 13.582 -1.555 236 H ARG 34 H ARG 34 -3.016 10.545 0.159 237 HA ARG 34 HA ARG 34 -0.594 11.024 1.772 238 HB2 ARG 34 1HB ARG 34 -3.275 10.155 2.919 239 HB3 ARG 34 2HB ARG 34 -1.757 9.970 3.771 240 HG2 ARG 34 1HG ARG 34 -2.919 12.659 2.929 241 HG3 ARG 34 2HG ARG 34 -3.081 11.912 4.517 242 HD2 ARG 34 1HD ARG 34 -0.576 11.862 4.703 243 HD3 ARG 34 2HD ARG 34 -0.490 12.843 3.225 244 HE ARG 34 HE ARG 34 -2.151 14.350 4.641 245 HH11 ARG 34 1HH1 ARG 34 1.010 12.996 5.584 246 HH12 ARG 34 2HH1 ARG 34 1.186 14.015 6.971 247 HH21 ARG 34 1HH2 ARG 34 -2.060 15.413 6.627 248 HH22 ARG 34 2HH2 ARG 34 -0.597 15.495 7.555 249 H LYS 35 H LYS 35 0.528 9.189 2.233 250 HA LYS 35 HA LYS 35 -0.468 6.481 1.651 251 HB2 LYS 35 1HB LYS 35 1.985 7.664 0.264 252 HB3 LYS 35 2HB LYS 35 1.494 5.970 0.223 253 HG2 LYS 35 1HG LYS 35 -0.671 6.664 -0.826 254 HG3 LYS 35 2HG LYS 35 -0.018 8.305 -1.000 255 HD2 LYS 35 1HD LYS 35 1.013 5.759 -2.298 256 HD3 LYS 35 2HD LYS 35 0.178 7.124 -3.065 257 HE2 LYS 35 1HE LYS 35 2.134 8.577 -2.209 258 HE3 LYS 35 2HE LYS 35 2.982 7.050 -1.907 259 HZ1 LYS 35 3HZ LYS 35 1.985 8.076 -4.495 260 HZ2 LYS 35 1HZ LYS 35 2.517 6.525 -4.287 261 HZ3 LYS 35 2HZ LYS 35 3.566 7.736 -4.055 262 H ASP 36 H ASP 36 0.455 8.256 3.957 263 HA ASP 36 HA ASP 36 2.721 6.568 4.897 264 HB2 ASP 36 1HB ASP 36 3.029 9.036 4.263 265 HB3 ASP 36 2HB ASP 36 2.171 9.404 5.756 266 H TYR 37 H TYR 37 0.022 5.755 5.309 267 HA TYR 37 HA TYR 37 -0.793 6.533 7.991 268 HB2 TYR 37 1HB TYR 37 -2.042 4.084 7.284 269 HB3 TYR 37 2HB TYR 37 -2.718 5.680 7.432 270 HD1 TYR 37 2HD TYR 37 -2.272 7.307 5.283 271 HD2 TYR 37 1HD TYR 37 -2.373 2.988 5.224 272 HE1 TYR 37 2HE TYR 37 -2.909 7.326 2.881 273 HE2 TYR 37 1HE TYR 37 -2.870 3.008 2.832 274 HH TYR 37 HH TYR 37 -3.214 4.315 0.970 275 HA PRO 38 HA PRO 38 1.251 2.329 9.180 276 HB2 PRO 38 1HB PRO 38 2.649 0.854 7.319 277 HB3 PRO 38 2HB PRO 38 0.880 0.710 7.495 278 HG2 PRO 38 1HG PRO 38 2.449 2.482 5.601 279 HG3 PRO 38 2HG PRO 38 1.121 1.337 5.193 280 HD2 PRO 38 1HD PRO 38 0.605 3.917 5.448 281 HD3 PRO 38 2HD PRO 38 -0.488 2.702 6.154 282 H ALA 39 H ALA 39 3.653 1.475 9.348 283 HA ALA 39 HA ALA 39 5.634 3.536 8.629 284 HB1 ALA 39 1HB ALA 39 5.052 2.677 11.495 285 HB2 ALA 39 2HB ALA 39 6.469 3.587 10.986 286 HB3 ALA 39 3HB ALA 39 4.859 4.313 10.806 287 H LEU 40 H LEU 40 7.545 2.804 8.423 288 HA LEU 40 HA LEU 40 8.892 1.160 7.482 289 HB2 LEU 40 1HB LEU 40 9.464 1.343 10.441 290 HB3 LEU 40 2HB LEU 40 10.593 0.692 9.251 291 HG LEU 40 HG LEU 40 9.499 3.537 9.187 292 HD11 LEU 40 1HD1 LEU 40 12.216 2.515 10.075 293 HD12 LEU 40 2HD1 LEU 40 10.904 3.097 11.144 294 HD13 LEU 40 3HD1 LEU 40 11.676 4.212 9.987 295 HD21 LEU 40 3HD2 LEU 40 11.347 3.945 7.576 296 HD22 LEU 40 1HD2 LEU 40 10.186 2.789 6.933 297 HD23 LEU 40 2HD2 LEU 40 11.742 2.214 7.582 298 H LEU 41 H LEU 41 7.397 -0.360 6.821 299 HA LEU 41 HA LEU 41 6.565 -2.643 8.210 300 HB2 LEU 41 1HB LEU 41 7.352 -2.300 5.285 301 HB3 LEU 41 2HB LEU 41 6.554 -3.745 5.878 302 HG LEU 41 HG LEU 41 5.371 -0.955 6.063 303 HD11 LEU 41 1HD1 LEU 41 5.611 -1.733 3.740 304 HD12 LEU 41 2HD1 LEU 41 3.924 -1.578 4.228 305 HD13 LEU 41 3HD1 LEU 41 4.660 -3.193 4.127 306 HD21 LEU 41 3HD2 LEU 41 4.087 -3.713 6.464 307 HD22 LEU 41 1HD2 LEU 41 3.252 -2.146 6.542 308 HD23 LEU 41 2HD2 LEU 41 4.444 -2.549 7.771 309 HA PRO 42 HA PRO 42 10.208 -4.982 8.864 310 HB2 PRO 42 1HB PRO 42 9.397 -7.610 8.647 311 HB3 PRO 42 2HB PRO 42 9.018 -6.525 10.016 312 HG2 PRO 42 1HG PRO 42 7.298 -7.190 7.616 313 HG3 PRO 42 2HG PRO 42 6.811 -7.150 9.338 314 HD2 PRO 42 1HD PRO 42 6.337 -5.090 7.621 315 HD3 PRO 42 2HD PRO 42 6.731 -4.783 9.328 316 H LEU 43 H LEU 43 11.767 -6.438 7.934 317 HA LEU 43 HA LEU 43 11.678 -7.342 5.220 318 HB2 LEU 43 1HB LEU 43 12.599 -5.566 4.208 319 HB3 LEU 43 2HB LEU 43 12.471 -4.642 5.680 320 HG LEU 43 HG LEU 43 14.751 -5.636 6.369 321 HD11 LEU 43 1HD1 LEU 43 15.220 -5.922 3.418 322 HD12 LEU 43 2HD1 LEU 43 14.546 -7.298 4.253 323 HD13 LEU 43 3HD1 LEU 43 16.111 -6.631 4.794 324 HD21 LEU 43 3HD2 LEU 43 14.516 -3.750 4.024 325 HD22 LEU 43 1HD2 LEU 43 15.954 -3.979 5.045 326 HD23 LEU 43 2HD2 LEU 43 14.444 -3.378 5.760 327 H ASN 44 H ASN 44 13.329 -8.984 5.076 328 HA ASN 44 HA ASN 44 14.853 -9.500 7.593 329 HB2 ASN 44 1HB ASN 44 13.109 -11.200 7.151 330 HB3 ASN 44 2HB ASN 44 13.797 -11.490 5.551 331 HD21 ASN 44 1HD2 ASN 44 14.028 -13.759 6.405 332 HD22 ASN 44 2HD2 ASN 44 15.474 -14.172 7.273 333 H GLU 45 H GLU 45 16.886 -8.621 7.126 334 HA GLU 45 HA GLU 45 18.055 -8.528 4.569 335 HB2 GLU 45 1HB GLU 45 20.156 -8.142 5.690 336 HB3 GLU 45 2HB GLU 45 18.868 -7.159 6.362 337 HG2 GLU 45 1HG GLU 45 18.859 -8.308 8.416 338 HG3 GLU 45 2HG GLU 45 19.557 -9.770 7.737 339 H SER 46 H SER 46 17.885 -11.209 6.839 340 HA SER 46 HA SER 46 19.938 -12.824 5.660 341 HB2 SER 46 1HB SER 46 17.672 -13.521 7.551 342 HB3 SER 46 2HB SER 46 19.168 -14.431 7.324 343 HG SER 46 HG SER 46 18.868 -12.746 9.160 344 H GLU 47 H GLU 47 17.143 -11.947 4.196 345 HA GLU 47 HA GLU 47 16.728 -14.603 2.894 346 HB2 GLU 47 1HB GLU 47 14.934 -13.739 4.519 347 HB3 GLU 47 2HB GLU 47 14.646 -12.414 3.403 348 HG2 GLU 47 1HG GLU 47 12.989 -14.154 3.186 349 HG3 GLU 47 2HG GLU 47 13.915 -14.098 1.692 350 H LEU 48 H LEU 48 18.110 -11.699 2.427 351 HA LEU 48 HA LEU 48 16.920 -11.084 -0.210 352 HB2 LEU 48 1HB LEU 48 19.192 -9.658 1.203 353 HB3 LEU 48 2HB LEU 48 18.187 -9.059 -0.110 354 HG LEU 48 HG LEU 48 17.430 -9.469 2.782 355 HD11 LEU 48 1HD1 LEU 48 18.724 -7.465 2.175 356 HD12 LEU 48 2HD1 LEU 48 17.109 -7.053 2.743 357 HD13 LEU 48 3HD1 LEU 48 17.469 -7.004 1.005 358 HD21 LEU 48 3HD2 LEU 48 15.449 -10.175 1.602 359 HD22 LEU 48 1HD2 LEU 48 15.533 -8.771 0.512 360 HD23 LEU 48 2HD2 LEU 48 15.177 -8.577 2.250 361 H GLU 49 H GLU 49 18.644 -10.180 -1.761 362 HA GLU 49 HA GLU 49 20.731 -12.229 -2.273 363 HB2 GLU 49 1HB GLU 49 18.876 -10.650 -4.093 364 HB3 GLU 49 2HB GLU 49 20.515 -11.049 -4.641 365 HG2 GLU 49 1HG GLU 49 20.076 -13.455 -4.156 366 HG3 GLU 49 2HG GLU 49 18.389 -13.065 -3.822 367 H GLU 50 H GLU 50 22.764 -11.368 -2.244 368 HA GLU 50 HA GLU 50 23.078 -8.435 -2.189 369 HB2 GLU 50 1HB GLU 50 24.584 -8.608 -0.371 370 HB3 GLU 50 2HB GLU 50 23.081 -9.371 0.111 371 HG2 GLU 50 1HG GLU 50 24.083 -11.612 -0.228 372 HG3 GLU 50 2HG GLU 50 25.579 -10.872 -0.841 373 H GLN 51 H GLN 51 25.418 -7.869 -2.629 374 HA GLN 51 HA GLN 51 26.871 -9.856 -4.184 375 HB2 GLN 51 1HB GLN 51 25.000 -8.301 -5.530 376 HB3 GLN 51 2HB GLN 51 26.439 -7.304 -5.689 377 HG2 GLN 51 1HG GLN 51 26.271 -10.276 -6.411 378 HG3 GLN 51 2HG GLN 51 26.014 -8.963 -7.564 379 HE21 GLN 51 1HE2 GLN 51 27.837 -7.323 -7.773 380 HE22 GLN 51 2HE2 GLN 51 29.475 -7.856 -7.356 381 H PHE 52 H PHE 52 29.036 -9.026 -4.753 382 HA PHE 52 HA PHE 52 30.009 -7.035 -2.771 383 HB2 PHE 52 1HB PHE 52 31.467 -9.356 -4.084 384 HB3 PHE 52 2HB PHE 52 32.107 -8.271 -2.842 385 HD1 PHE 52 2HD PHE 52 31.055 -8.268 -0.516 386 HD2 PHE 52 1HD PHE 52 29.968 -11.193 -3.505 387 HE1 PHE 52 2HE PHE 52 29.819 -9.572 1.189 388 HE2 PHE 52 1HE PHE 52 28.749 -12.485 -1.779 389 HZ PHE 52 HZ PHE 52 28.629 -11.651 0.559 390 H VAL 53 H VAL 53 31.114 -5.273 -3.497 391 HA VAL 53 HA VAL 53 31.037 -4.810 -6.396 392 HB VAL 53 HB VAL 53 31.844 -3.023 -4.062 393 HG11 VAL 53 1HG1 VAL 53 32.805 -2.167 -6.130 394 HG12 VAL 53 2HG1 VAL 53 31.270 -2.451 -6.994 395 HG13 VAL 53 3HG1 VAL 53 31.382 -1.186 -5.773 396 HG21 VAL 53 3HG2 VAL 53 29.467 -3.646 -3.873 397 HG22 VAL 53 1HG2 VAL 53 29.595 -1.978 -4.417 398 HG23 VAL 53 2HG2 VAL 53 29.200 -3.249 -5.585 399 H LYS 54 H LYS 54 32.840 -4.648 -7.690 400 HA LYS 54 HA LYS 54 35.493 -5.267 -6.437 401 HB2 LYS 54 1HB LYS 54 34.221 -6.480 -8.892 402 HB3 LYS 54 2HB LYS 54 35.944 -6.560 -8.540 403 HG2 LYS 54 1HG LYS 54 35.297 -7.513 -6.216 404 HG3 LYS 54 2HG LYS 54 33.659 -7.655 -6.854 405 HD2 LYS 54 1HD LYS 54 34.445 -9.743 -7.237 406 HD3 LYS 54 2HD LYS 54 34.789 -8.998 -8.802 407 HE2 LYS 54 1HE LYS 54 36.778 -9.375 -6.498 408 HE3 LYS 54 2HE LYS 54 36.619 -10.478 -7.863 409 HZ1 LYS 54 3HZ LYS 54 37.293 -8.680 -9.332 410 HZ2 LYS 54 1HZ LYS 54 38.438 -8.961 -8.191 411 HZ3 LYS 54 2HZ LYS 54 37.462 -7.652 -8.055 412 H GLY 55 H GLY 55 33.910 -2.804 -8.016 413 HA2 GLY 55 1HA GLY 55 34.834 -0.887 -8.947 414 HA3 GLY 55 2HA GLY 55 36.446 -1.632 -8.841 415 H HIS 56 H HIS 56 37.241 -1.621 -10.892 416 HA HIS 56 HA HIS 56 35.684 -1.728 -13.258 417 HB2 HIS 56 1HB HIS 56 37.967 -0.764 -13.134 418 HB3 HIS 56 2HB HIS 56 38.634 -2.378 -12.829 419 HD1 HIS 56 1HD HIS 56 39.053 -3.879 -14.995 420 HD2 HIS 56 2HD HIS 56 36.803 -0.376 -15.634 421 HE1 HIS 56 1HE HIS 56 38.655 -3.714 -17.514 422 H GLY 57 H GLY 57 35.277 -3.343 -14.734 423 HA2 GLY 57 1HA GLY 57 36.175 -5.904 -14.972 424 HA3 GLY 57 2HA GLY 57 34.820 -5.982 -13.806 425 HA PRO 58 HA PRO 58 33.215 -5.489 -18.240 426 HB2 PRO 58 1HB PRO 58 32.025 -7.923 -18.636 427 HB3 PRO 58 2HB PRO 58 33.767 -7.650 -18.940 428 HG2 PRO 58 1HG PRO 58 32.470 -8.818 -16.454 429 HG3 PRO 58 2HG PRO 58 33.856 -9.471 -17.386 430 HD2 PRO 58 1HD PRO 58 34.195 -7.960 -15.131 431 HD3 PRO 58 2HD PRO 58 35.327 -7.836 -16.516 432 H GLY 59 H GLY 59 30.848 -5.493 -18.817 433 HA2 GLY 59 1HA GLY 59 28.636 -5.051 -18.326 434 HA3 GLY 59 2HA GLY 59 28.806 -6.049 -16.866 435 H GLY 60 H GLY 60 30.754 -3.149 -17.715 436 HA2 GLY 60 1HA GLY 60 29.366 -1.280 -16.133 437 HA3 GLY 60 2HA GLY 60 30.728 -1.951 -15.197 438 H GLN 61 H GLN 61 30.345 0.740 -16.383 439 HA GLN 61 HA GLN 61 32.936 0.928 -17.796 440 HB2 GLN 61 1HB GLN 61 32.077 2.107 -19.654 441 HB3 GLN 61 2HB GLN 61 31.176 0.618 -19.531 442 HG2 GLN 61 1HG GLN 61 30.187 3.372 -18.669 443 HG3 GLN 61 2HG GLN 61 29.819 2.574 -20.187 444 HE21 GLN 61 1HE2 GLN 61 27.929 3.525 -18.088 445 HE22 GLN 61 2HE2 GLN 61 26.993 2.083 -17.708 446 H ALA 62 H ALA 62 31.409 1.877 -15.154 447 HA ALA 62 HA ALA 62 31.359 4.719 -15.237 448 HB1 ALA 62 1HB ALA 62 31.721 2.828 -12.874 449 HB2 ALA 62 2HB ALA 62 31.170 4.512 -12.802 450 HB3 ALA 62 3HB ALA 62 30.160 3.282 -13.590 451 H THR 63 H THR 63 34.160 2.752 -15.341 452 HA THR 63 HA THR 63 36.343 3.085 -14.968 453 HB THR 63 HB THR 63 35.806 6.062 -14.920 454 HG1 THR 63 1HG THR 63 35.949 4.429 -17.226 455 HG21 THR 63 3HG2 THR 63 38.044 4.382 -16.131 456 HG22 THR 63 1HG2 THR 63 38.175 5.476 -14.735 457 HG23 THR 63 2HG2 THR 63 37.846 6.135 -16.330 458 H ASN 64 H ASN 64 34.245 3.443 -12.574 459 HA ASN 64 HA ASN 64 35.480 4.850 -10.507 460 HB2 ASN 64 1HB ASN 64 33.440 2.665 -10.682 461 HB3 ASN 64 2HB ASN 64 34.222 2.853 -9.124 462 HD21 ASN 64 1HD2 ASN 64 31.390 3.638 -10.384 463 HD22 ASN 64 2HD2 ASN 64 31.196 5.247 -9.721 464 H LYS 65 H LYS 65 36.764 4.374 -8.846 465 HA LYS 65 HA LYS 65 38.935 2.469 -9.265 466 HB2 LYS 65 1HB LYS 65 38.276 4.477 -7.108 467 HB3 LYS 65 2HB LYS 65 39.689 3.425 -7.126 468 HG2 LYS 65 1HG LYS 65 40.161 4.412 -9.516 469 HG3 LYS 65 2HG LYS 65 39.011 5.692 -9.031 470 HD2 LYS 65 1HD LYS 65 40.328 5.988 -6.934 471 HD3 LYS 65 2HD LYS 65 41.436 4.717 -7.507 472 HE2 LYS 65 1HE LYS 65 42.249 6.108 -9.285 473 HE3 LYS 65 2HE LYS 65 41.004 7.345 -8.996 474 HZ1 LYS 65 3HZ LYS 65 43.284 7.780 -7.981 475 HZ2 LYS 65 1HZ LYS 65 42.906 6.610 -6.864 476 HZ3 LYS 65 2HZ LYS 65 41.988 7.942 -6.991 477 H THR 66 H THR 66 39.649 1.022 -7.448 478 HA THR 66 HA THR 66 37.495 -0.624 -6.403 479 HB THR 66 HB THR 66 39.630 -1.819 -5.505 480 HG1 THR 66 1HG THR 66 41.035 -0.051 -5.680 481 HG21 THR 66 3HG2 THR 66 38.466 -2.569 -7.555 482 HG22 THR 66 1HG2 THR 66 40.221 -2.734 -7.718 483 HG23 THR 66 2HG2 THR 66 39.384 -1.393 -8.526 484 H SER 67 H SER 67 36.594 -0.224 -4.309 485 HA SER 67 HA SER 67 38.197 0.659 -2.160 486 HB2 SER 67 1HB SER 67 37.767 2.846 -3.491 487 HB3 SER 67 2HB SER 67 36.071 2.673 -3.005 488 HG SER 67 HG SER 67 37.637 3.934 -1.646 489 H ASN 68 H ASN 68 36.383 1.439 -0.429 490 HA ASN 68 HA ASN 68 34.810 -0.917 0.149 491 HB2 ASN 68 1HB ASN 68 34.136 0.253 2.166 492 HB3 ASN 68 2HB ASN 68 35.879 0.372 1.954 493 HD21 ASN 68 1HD2 ASN 68 33.452 2.179 3.164 494 HD22 ASN 68 2HD2 ASN 68 33.885 3.771 2.594 495 H CYS 69 H CYS 69 33.043 -1.318 -1.068 496 HA CYS 69 HA CYS 69 30.930 0.695 -1.360 497 HB2 CYS 69 1HB CYS 69 32.143 -0.919 -3.621 498 HB3 CYS 69 2HB CYS 69 30.669 0.058 -3.760 499 HG CYS 69 HG CYS 69 31.760 2.365 -3.478 500 H VAL 70 H VAL 70 28.805 -0.428 -1.481 501 HA VAL 70 HA VAL 70 28.770 -3.370 -1.480 502 HB VAL 70 HB VAL 70 27.751 -1.592 0.798 503 HG11 VAL 70 1HG1 VAL 70 26.817 -3.590 1.876 504 HG12 VAL 70 2HG1 VAL 70 25.985 -3.302 0.361 505 HG13 VAL 70 3HG1 VAL 70 27.233 -4.568 0.466 506 HG21 VAL 70 3HG2 VAL 70 29.036 -3.391 2.151 507 HG22 VAL 70 1HG2 VAL 70 29.778 -3.819 0.608 508 HG23 VAL 70 2HG2 VAL 70 29.989 -2.175 1.265 509 H VAL 71 H VAL 71 26.520 -4.100 -1.957 510 HA VAL 71 HA VAL 71 24.559 -2.078 -2.775 511 HB VAL 71 HB VAL 71 25.821 -2.395 -4.813 512 HG11 VAL 71 1HG1 VAL 71 25.439 -5.400 -4.536 513 HG12 VAL 71 2HG1 VAL 71 26.139 -4.549 -5.927 514 HG13 VAL 71 3HG1 VAL 71 26.977 -4.528 -4.374 515 HG21 VAL 71 3HG2 VAL 71 23.284 -4.071 -4.977 516 HG22 VAL 71 1HG2 VAL 71 23.338 -2.299 -4.962 517 HG23 VAL 71 2HG2 VAL 71 24.083 -3.218 -6.298 518 H LEU 72 H LEU 72 22.465 -2.857 -2.427 519 HA LEU 72 HA LEU 72 22.167 -5.702 -1.599 520 HB2 LEU 72 1HB LEU 72 22.635 -4.156 0.402 521 HB3 LEU 72 2HB LEU 72 21.162 -3.297 -0.039 522 HG LEU 72 HG LEU 72 20.033 -5.706 0.191 523 HD11 LEU 72 1HD1 LEU 72 22.213 -6.934 0.588 524 HD12 LEU 72 2HD1 LEU 72 21.098 -7.070 1.958 525 HD13 LEU 72 3HD1 LEU 72 22.458 -5.956 2.061 526 HD21 LEU 72 3HD2 LEU 72 19.647 -3.666 1.633 527 HD22 LEU 72 1HD2 LEU 72 21.004 -4.214 2.639 528 HD23 LEU 72 2HD2 LEU 72 19.540 -5.207 2.507 529 H LYS 73 H LYS 73 20.062 -6.491 -2.136 530 HA LYS 73 HA LYS 73 18.186 -4.529 -3.315 531 HB2 LYS 73 1HB LYS 73 17.664 -6.040 -5.121 532 HB3 LYS 73 2HB LYS 73 19.367 -5.624 -5.203 533 HG2 LYS 73 1HG LYS 73 20.052 -7.768 -4.540 534 HG3 LYS 73 2HG LYS 73 18.512 -8.205 -3.814 535 HD2 LYS 73 1HD LYS 73 18.775 -7.754 -6.798 536 HD3 LYS 73 2HD LYS 73 19.146 -9.297 -6.025 537 HE2 LYS 73 1HE LYS 73 16.802 -9.151 -4.976 538 HE3 LYS 73 2HE LYS 73 16.476 -7.840 -6.137 539 HZ1 LYS 73 3HZ LYS 73 17.205 -10.645 -6.745 540 HZ2 LYS 73 1HZ LYS 73 17.204 -9.484 -7.881 541 HZ3 LYS 73 2HZ LYS 73 15.792 -9.872 -7.136 542 H HIS 74 H HIS 74 15.986 -5.344 -3.389 543 HA HIS 74 HA HIS 74 15.466 -7.235 -1.133 544 HB2 HIS 74 1HB HIS 74 14.491 -4.739 -1.259 545 HB3 HIS 74 2HB HIS 74 13.338 -5.483 -2.346 546 HD1 HIS 74 1HD HIS 74 11.255 -6.596 -0.952 547 HD2 HIS 74 2HD HIS 74 14.888 -6.165 1.180 548 HE1 HIS 74 1HE HIS 74 10.814 -7.322 1.423 549 H VAL 75 H VAL 75 15.059 -9.294 -1.997 550 HA VAL 75 HA VAL 75 14.845 -9.697 -4.777 551 HB VAL 75 HB VAL 75 14.262 -11.485 -2.382 552 HG11 VAL 75 1HG1 VAL 75 14.296 -13.395 -3.970 553 HG12 VAL 75 2HG1 VAL 75 12.884 -12.355 -4.213 554 HG13 VAL 75 3HG1 VAL 75 14.259 -12.250 -5.330 555 HG21 VAL 75 3HG2 VAL 75 16.607 -10.768 -2.753 556 HG22 VAL 75 1HG2 VAL 75 16.356 -12.498 -2.943 557 HG23 VAL 75 2HG2 VAL 75 16.532 -11.476 -4.384 558 HA PRO 76 HA PRO 76 10.094 -10.434 -4.356 559 HB2 PRO 76 1HB PRO 76 8.761 -9.589 -2.081 560 HB3 PRO 76 2HB PRO 76 9.451 -11.207 -2.293 561 HG2 PRO 76 1HG PRO 76 10.795 -8.812 -1.026 562 HG3 PRO 76 2HG PRO 76 10.582 -10.455 -0.298 563 HD2 PRO 76 1HD PRO 76 12.851 -9.812 -1.437 564 HD3 PRO 76 2HD PRO 76 12.096 -11.373 -1.898 565 H SER 77 H SER 77 11.577 -7.454 -3.421 566 HA SER 77 HA SER 77 9.225 -5.906 -4.514 567 HB2 SER 77 1HB SER 77 9.933 -5.586 -2.101 568 HB3 SER 77 2HB SER 77 11.407 -4.862 -2.702 569 HG SER 77 HG SER 77 8.880 -3.861 -3.489 570 H GLY 78 H GLY 78 12.369 -6.955 -5.183 571 HA2 GLY 78 1HA GLY 78 13.821 -6.591 -6.881 572 HA3 GLY 78 2HA GLY 78 12.535 -5.720 -7.722 573 H ILE 79 H ILE 79 13.054 -4.140 -4.755 574 HA ILE 79 HA ILE 79 14.219 -1.846 -6.016 575 HB ILE 79 HB ILE 79 14.160 -2.481 -3.034 576 HG12 ILE 79 1HG1 ILE 79 11.929 -1.354 -4.764 577 HG13 ILE 79 2HG1 ILE 79 11.939 -2.838 -3.831 578 HG21 ILE 79 1HG2 ILE 79 14.095 -0.016 -2.763 579 HG22 ILE 79 2HG2 ILE 79 15.545 -0.515 -3.577 580 HG23 ILE 79 3HG2 ILE 79 14.212 0.184 -4.518 581 HD11 ILE 79 3HD1 ILE 79 11.788 -0.039 -2.741 582 HD12 ILE 79 1HD1 ILE 79 10.669 -1.379 -2.531 583 HD13 ILE 79 2HD1 ILE 79 12.246 -1.425 -1.722 584 H VAL 80 H VAL 80 16.368 -1.004 -5.782 585 HA VAL 80 HA VAL 80 18.449 -2.749 -4.621 586 HB VAL 80 HB VAL 80 18.730 -1.370 -7.323 587 HG11 VAL 80 1HG1 VAL 80 20.473 -3.389 -5.833 588 HG12 VAL 80 2HG1 VAL 80 20.774 -2.792 -7.472 589 HG13 VAL 80 3HG1 VAL 80 20.849 -1.672 -6.111 590 HG21 VAL 80 3HG2 VAL 80 18.736 -3.666 -8.311 591 HG22 VAL 80 1HG2 VAL 80 18.169 -4.292 -6.746 592 HG23 VAL 80 2HG2 VAL 80 17.162 -3.158 -7.686 593 H VAL 81 H VAL 81 19.934 -1.531 -3.486 594 HA VAL 81 HA VAL 81 20.036 1.366 -3.969 595 HB VAL 81 HB VAL 81 18.265 1.050 -2.300 596 HG11 VAL 81 1HG1 VAL 81 19.256 -0.975 -1.133 597 HG12 VAL 81 2HG1 VAL 81 20.370 0.134 -0.322 598 HG13 VAL 81 3HG1 VAL 81 18.620 0.327 -0.089 599 HG21 VAL 81 3HG2 VAL 81 19.595 3.129 -2.374 600 HG22 VAL 81 1HG2 VAL 81 19.000 2.755 -0.751 601 HG23 VAL 81 2HG2 VAL 81 20.701 2.461 -1.146 602 H LYS 82 H LYS 82 21.993 2.273 -3.362 603 HA LYS 82 HA LYS 82 24.191 0.345 -2.709 604 HB2 LYS 82 1HB LYS 82 24.180 2.582 -4.778 605 HB3 LYS 82 2HB LYS 82 25.577 1.597 -4.352 606 HG2 LYS 82 1HG LYS 82 24.602 -0.379 -5.304 607 HG3 LYS 82 2HG LYS 82 23.004 0.371 -5.456 608 HD2 LYS 82 1HD LYS 82 24.021 2.063 -7.027 609 HD3 LYS 82 2HD LYS 82 25.486 1.073 -7.046 610 HE2 LYS 82 1HE LYS 82 22.692 0.048 -7.771 611 HE3 LYS 82 2HE LYS 82 23.810 0.731 -8.931 612 HZ1 LYS 82 3HZ LYS 82 24.052 -1.537 -9.040 613 HZ2 LYS 82 1HZ LYS 82 24.168 -1.773 -7.437 614 HZ3 LYS 82 2HZ LYS 82 25.413 -1.051 -8.220 615 H CYS 83 H CYS 83 25.099 0.962 -0.868 616 HA CYS 83 HA CYS 83 25.592 3.843 -0.276 617 HB2 CYS 83 1HB CYS 83 24.085 1.784 1.361 618 HB3 CYS 83 2HB CYS 83 25.109 2.962 2.202 619 HG CYS 83 HG CYS 83 23.805 4.881 2.030 620 H HIS 84 H HIS 84 27.422 4.224 0.983 621 HA HIS 84 HA HIS 84 29.084 2.101 2.000 622 HB2 HIS 84 1HB HIS 84 31.041 2.677 0.702 623 HB3 HIS 84 2HB HIS 84 29.757 2.047 -0.327 624 HD1 HIS 84 1HD HIS 84 32.256 4.708 -0.395 625 HD2 HIS 84 2HD HIS 84 28.282 4.137 -1.694 626 HE1 HIS 84 1HE HIS 84 31.809 6.494 -2.135 627 H GLN 85 H GLN 85 29.740 2.920 3.889 628 HA GLN 85 HA GLN 85 30.120 5.874 4.182 629 HB2 GLN 85 1HB GLN 85 27.854 5.090 5.028 630 HB3 GLN 85 2HB GLN 85 28.731 4.040 6.143 631 HG2 GLN 85 1HG GLN 85 29.860 6.164 7.060 632 HG3 GLN 85 2HG GLN 85 28.680 7.066 6.103 633 HE21 GLN 85 1HE2 GLN 85 29.236 5.482 9.101 634 HE22 GLN 85 2HE2 GLN 85 27.580 5.411 9.663 635 H THR 86 H THR 86 30.585 2.608 5.739 636 HA THR 86 HA THR 86 33.014 3.606 7.073 637 HB THR 86 HB THR 86 32.639 1.335 8.265 638 HG1 THR 86 1HG THR 86 31.164 0.472 6.748 639 HG21 THR 86 3HG2 THR 86 30.452 3.458 8.493 640 HG22 THR 86 1HG2 THR 86 32.070 3.566 9.228 641 HG23 THR 86 2HG2 THR 86 30.950 2.294 9.738 642 H ARG 87 H ARG 87 34.952 2.235 7.092 643 HA ARG 87 HA ARG 87 35.556 1.229 4.439 644 HB2 ARG 87 1HB ARG 87 37.110 1.322 7.034 645 HB3 ARG 87 2HB ARG 87 37.721 0.487 5.594 646 HG2 ARG 87 1HG ARG 87 37.492 2.499 4.244 647 HG3 ARG 87 2HG ARG 87 36.804 3.403 5.601 648 HD2 ARG 87 1HD ARG 87 38.881 3.278 6.827 649 HD3 ARG 87 2HD ARG 87 39.577 2.172 5.615 650 HE ARG 87 HE ARG 87 38.706 4.467 4.263 651 HH11 ARG 87 1HH1 ARG 87 41.102 4.037 6.889 652 HH12 ARG 87 2HH1 ARG 87 42.199 5.168 6.165 653 HH21 ARG 87 1HH2 ARG 87 40.255 5.982 3.400 654 HH22 ARG 87 2HH2 ARG 87 41.705 6.278 4.318 655 H SER 88 H SER 88 34.473 -0.419 7.496 656 HA SER 88 HA SER 88 35.241 -2.986 6.435 657 HB2 SER 88 1HB SER 88 33.380 -2.345 8.747 658 HB3 SER 88 2HB SER 88 34.218 -3.876 8.408 659 HG SER 88 HG SER 88 35.292 -1.373 9.157 660 H VAL 89 H VAL 89 34.158 -4.173 5.041 661 HA VAL 89 HA VAL 89 31.753 -3.404 3.767 662 HB VAL 89 HB VAL 89 33.504 -4.806 2.776 663 HG11 VAL 89 1HG1 VAL 89 33.787 -7.165 3.268 664 HG12 VAL 89 2HG1 VAL 89 34.103 -6.236 4.736 665 HG13 VAL 89 3HG1 VAL 89 32.559 -7.099 4.538 666 HG21 VAL 89 3HG2 VAL 89 32.101 -6.454 1.625 667 HG22 VAL 89 1HG2 VAL 89 30.830 -6.253 2.846 668 HG23 VAL 89 2HG2 VAL 89 31.273 -4.903 1.793 669 H ASP 90 H ASP 90 32.417 -5.578 6.502 670 HA ASP 90 HA ASP 90 29.967 -6.777 6.836 671 HB2 ASP 90 1HB ASP 90 30.799 -7.631 8.725 672 HB3 ASP 90 2HB ASP 90 32.314 -7.044 8.060 673 H GLN 91 H GLN 91 31.095 -3.661 8.138 674 HA GLN 91 HA GLN 91 28.664 -3.060 9.529 675 HB2 GLN 91 1HB GLN 91 31.062 -2.067 9.914 676 HB3 GLN 91 2HB GLN 91 30.718 -1.091 8.518 677 HG2 GLN 91 1HG GLN 91 29.612 0.397 9.775 678 HG3 GLN 91 2HG GLN 91 28.405 -0.801 10.169 679 HE21 GLN 91 1HE2 GLN 91 28.706 -2.087 12.242 680 HE22 GLN 91 2HE2 GLN 91 29.604 -1.304 13.514 681 H ASN 92 H ASN 92 29.942 -2.187 6.287 682 HA ASN 92 HA ASN 92 27.972 -0.250 5.615 683 HB2 ASN 92 1HB ASN 92 29.537 -2.171 3.890 684 HB3 ASN 92 2HB ASN 92 28.348 -1.062 3.195 685 HD21 ASN 92 1HD2 ASN 92 31.506 -1.278 3.115 686 HD22 ASN 92 2HD2 ASN 92 31.987 0.306 3.680 687 H ARG 93 H ARG 93 27.754 -3.814 5.603 688 HA ARG 93 HA ARG 93 25.377 -4.097 4.104 689 HB2 ARG 93 1HB ARG 93 26.329 -5.641 6.549 690 HB3 ARG 93 2HB ARG 93 24.985 -6.138 5.544 691 HG2 ARG 93 1HG ARG 93 26.306 -6.741 3.736 692 HG3 ARG 93 2HG ARG 93 27.660 -5.718 4.216 693 HD2 ARG 93 1HD ARG 93 28.165 -8.114 4.607 694 HD3 ARG 93 2HD ARG 93 28.200 -7.141 6.078 695 HE ARG 93 HE ARG 93 26.522 -8.318 6.999 696 HH11 ARG 93 1HH1 ARG 93 26.672 -9.107 3.499 697 HH12 ARG 93 2HH1 ARG 93 25.408 -10.210 3.532 698 HH21 ARG 93 1HH2 ARG 93 24.720 -9.945 7.027 699 HH22 ARG 93 2HH2 ARG 93 24.182 -10.515 5.480 700 H LYS 94 H LYS 94 25.751 -3.445 7.684 701 HA LYS 94 HA LYS 94 22.988 -3.552 8.219 702 HB2 LYS 94 1HB LYS 94 23.463 -2.899 10.340 703 HB3 LYS 94 2HB LYS 94 25.044 -3.481 9.828 704 HG2 LYS 94 1HG LYS 94 25.503 -0.952 9.276 705 HG3 LYS 94 2HG LYS 94 24.076 -0.627 10.236 706 HD2 LYS 94 1HD LYS 94 26.539 -2.159 11.165 707 HD3 LYS 94 2HD LYS 94 26.268 -0.446 11.463 708 HE2 LYS 94 1HE LYS 94 24.495 -2.719 12.461 709 HE3 LYS 94 2HE LYS 94 25.716 -1.887 13.416 710 HZ1 LYS 94 3HZ LYS 94 23.810 -0.834 13.976 711 HZ2 LYS 94 1HZ LYS 94 23.115 -0.921 12.506 712 HZ3 LYS 94 2HZ LYS 94 24.322 0.193 12.802 713 H ILE 95 H ILE 95 24.924 -0.950 6.882 714 HA ILE 95 HA ILE 95 22.931 1.118 7.282 715 HB ILE 95 HB ILE 95 25.360 0.982 5.437 716 HG12 ILE 95 1HG1 ILE 95 25.023 2.197 8.231 717 HG13 ILE 95 2HG1 ILE 95 25.909 0.715 7.863 718 HG21 ILE 95 1HG2 ILE 95 23.773 2.696 4.669 719 HG22 ILE 95 2HG2 ILE 95 23.653 3.347 6.306 720 HG23 ILE 95 3HG2 ILE 95 25.171 3.478 5.387 721 HD11 ILE 95 3HD1 ILE 95 26.687 3.489 7.026 722 HD12 ILE 95 1HD1 ILE 95 27.517 2.410 8.157 723 HD13 ILE 95 2HD1 ILE 95 27.474 2.000 6.432 724 H ALA 96 H ALA 96 23.829 -1.163 4.634 725 HA ALA 96 HA ALA 96 22.118 -0.003 2.688 726 HB1 ALA 96 1HB ALA 96 22.530 -2.034 1.457 727 HB2 ALA 96 2HB ALA 96 24.048 -1.512 2.226 728 HB3 ALA 96 3HB ALA 96 23.135 -2.876 2.903 729 H ARG 97 H ARG 97 21.690 -2.781 4.960 730 HA ARG 97 HA ARG 97 19.012 -3.244 4.002 731 HB2 ARG 97 1HB ARG 97 18.812 -4.899 5.666 732 HB3 ARG 97 2HB ARG 97 20.430 -4.919 4.933 733 HG2 ARG 97 1HG ARG 97 21.188 -5.206 6.925 734 HG3 ARG 97 2HG ARG 97 21.021 -3.481 7.099 735 HD2 ARG 97 1HD ARG 97 18.990 -5.605 7.970 736 HD3 ARG 97 2HD ARG 97 20.205 -4.926 9.031 737 HE ARG 97 HE ARG 97 17.725 -3.657 8.054 738 HH11 ARG 97 1HH1 ARG 97 20.478 -3.515 10.341 739 HH12 ARG 97 2HH1 ARG 97 19.753 -2.180 11.196 740 HH21 ARG 97 1HH2 ARG 97 16.870 -1.998 9.253 741 HH22 ARG 97 2HH2 ARG 97 17.739 -1.318 10.602 742 H LYS 98 H LYS 98 20.274 -1.089 6.468 743 HA LYS 98 HA LYS 98 17.709 -0.460 7.628 744 HB2 LYS 98 1HB LYS 98 19.877 0.035 8.689 745 HB3 LYS 98 2HB LYS 98 20.249 1.230 7.443 746 HG2 LYS 98 1HG LYS 98 17.975 1.369 9.464 747 HG3 LYS 98 2HG LYS 98 19.519 2.161 9.591 748 HD2 LYS 98 1HD LYS 98 18.912 3.348 7.342 749 HD3 LYS 98 2HD LYS 98 17.264 2.805 7.665 750 HE2 LYS 98 1HE LYS 98 17.398 4.998 8.518 751 HE3 LYS 98 2HE LYS 98 17.392 3.907 9.915 752 HZ1 LYS 98 3HZ LYS 98 19.075 5.652 10.123 753 HZ2 LYS 98 1HZ LYS 98 19.807 5.159 8.736 754 HZ3 LYS 98 2HZ LYS 98 19.810 4.196 10.046 755 H VAL 99 H VAL 99 19.677 1.449 5.204 756 HA VAL 99 HA VAL 99 17.559 3.148 4.602 757 HB VAL 99 HB VAL 99 19.987 3.432 4.044 758 HG11 VAL 99 1HG1 VAL 99 20.810 2.761 1.848 759 HG12 VAL 99 2HG1 VAL 99 20.456 1.370 2.865 760 HG13 VAL 99 3HG1 VAL 99 19.340 1.815 1.559 761 HG21 VAL 99 3HG2 VAL 99 19.596 4.859 2.130 762 HG22 VAL 99 1HG2 VAL 99 18.059 4.021 1.762 763 HG23 VAL 99 2HG2 VAL 99 18.227 4.982 3.241 764 H LEU 100 H LEU 100 18.179 -0.116 3.260 765 HA LEU 100 HA LEU 100 16.287 0.052 1.161 766 HB2 LEU 100 1HB LEU 100 18.042 -1.695 1.372 767 HB3 LEU 100 2HB LEU 100 17.172 -2.384 2.752 768 HG LEU 100 HG LEU 100 15.266 -2.967 1.286 769 HD11 LEU 100 1HD1 LEU 100 15.569 -2.779 -1.211 770 HD12 LEU 100 2HD1 LEU 100 16.981 -1.747 -0.939 771 HD13 LEU 100 3HD1 LEU 100 15.360 -1.221 -0.426 772 HD21 LEU 100 3HD2 LEU 100 17.923 -3.887 0.114 773 HD22 LEU 100 1HD2 LEU 100 16.375 -4.738 0.036 774 HD23 LEU 100 2HD2 LEU 100 17.170 -4.533 1.594 775 H GLN 101 H GLN 101 15.805 -0.591 4.665 776 HA GLN 101 HA GLN 101 13.207 -1.699 4.466 777 HB2 GLN 101 1HB GLN 101 14.762 -1.448 6.548 778 HB3 GLN 101 2HB GLN 101 14.136 0.175 6.692 779 HG2 GLN 101 1HG GLN 101 12.021 -0.501 7.347 780 HG3 GLN 101 2HG GLN 101 12.050 -1.946 6.335 781 HE21 GLN 101 1HE2 GLN 101 11.804 -3.667 7.577 782 HE22 GLN 101 2HE2 GLN 101 12.589 -3.915 9.148 783 H GLU 102 H GLU 102 14.378 1.630 4.628 784 HA GLU 102 HA GLU 102 11.893 2.965 4.896 785 HB2 GLU 102 1HB GLU 102 14.189 4.126 3.337 786 HB3 GLU 102 2HB GLU 102 13.077 4.940 4.415 787 HG2 GLU 102 1HG GLU 102 15.304 3.035 5.291 788 HG3 GLU 102 2HG GLU 102 15.416 4.786 5.199 789 H LYS 103 H LYS 103 13.682 1.705 2.100 790 HA LYS 103 HA LYS 103 11.995 2.884 0.080 791 HB2 LYS 103 1HB LYS 103 13.707 0.393 -0.188 792 HB3 LYS 103 2HB LYS 103 13.104 1.427 -1.470 793 HG2 LYS 103 1HG LYS 103 15.248 2.170 0.549 794 HG3 LYS 103 2HG LYS 103 15.506 1.641 -1.108 795 HD2 LYS 103 1HD LYS 103 14.075 3.624 -1.837 796 HD3 LYS 103 2HD LYS 103 14.161 4.193 -0.160 797 HE2 LYS 103 1HE LYS 103 16.633 4.273 -0.316 798 HE3 LYS 103 2HE LYS 103 16.568 3.599 -1.958 799 HZ1 LYS 103 3HZ LYS 103 15.306 5.557 -2.635 800 HZ2 LYS 103 1HZ LYS 103 16.758 6.016 -2.043 801 HZ3 LYS 103 2HZ LYS 103 15.406 6.178 -1.109 802 H VAL 104 H VAL 104 12.213 -0.452 1.452 803 HA VAL 104 HA VAL 104 10.149 -1.566 -0.150 804 HB VAL 104 HB VAL 104 11.305 -2.376 2.531 805 HG11 VAL 104 1HG1 VAL 104 9.084 -3.465 2.230 806 HG12 VAL 104 2HG1 VAL 104 9.560 -4.006 0.607 807 HG13 VAL 104 3HG1 VAL 104 10.386 -4.640 2.052 808 HG21 VAL 104 3HG2 VAL 104 12.900 -2.354 0.574 809 HG22 VAL 104 1HG2 VAL 104 12.612 -3.952 1.263 810 HG23 VAL 104 2HG2 VAL 104 11.820 -3.488 -0.258 811 H ASP 105 H ASP 105 10.012 -0.020 3.144 812 HA ASP 105 HA ASP 105 7.373 -0.452 3.760 813 HB2 ASP 105 1HB ASP 105 8.931 0.590 5.261 814 HB3 ASP 105 2HB ASP 105 9.177 1.954 4.175 815 H VAL 106 H VAL 106 8.527 2.557 2.166 816 HA VAL 106 HA VAL 106 5.921 3.334 1.439 817 HB VAL 106 HB VAL 106 7.842 4.824 1.752 818 HG11 VAL 106 1HG1 VAL 106 8.706 4.081 -1.054 819 HG12 VAL 106 2HG1 VAL 106 9.396 5.341 -0.004 820 HG13 VAL 106 3HG1 VAL 106 9.556 3.629 0.439 821 HG21 VAL 106 3HG2 VAL 106 7.192 6.456 0.066 822 HG22 VAL 106 1HG2 VAL 106 6.478 5.205 -0.961 823 HG23 VAL 106 2HG2 VAL 106 5.761 5.594 0.628 824 H PHE 107 H PHE 107 8.003 1.088 -0.179 825 HA PHE 107 HA PHE 107 6.812 1.292 -2.828 826 HB2 PHE 107 1HB PHE 107 8.994 0.200 -2.292 827 HB3 PHE 107 2HB PHE 107 8.140 -1.109 -1.497 828 HD1 PHE 107 1HD PHE 107 6.556 -2.618 -2.824 829 HD2 PHE 107 2HD PHE 107 9.309 0.149 -4.665 830 HE1 PHE 107 1HE PHE 107 6.500 -3.942 -4.906 831 HE2 PHE 107 2HE PHE 107 9.282 -1.228 -6.737 832 HZ PHE 107 HZ PHE 107 7.882 -3.276 -6.857 833 H TYR 108 H TYR 108 6.158 -0.735 0.076 834 HA TYR 108 HA TYR 108 3.980 -2.212 -1.097 835 HB2 TYR 108 1HB TYR 108 5.035 -1.707 1.647 836 HB3 TYR 108 2HB TYR 108 3.373 -2.263 1.512 837 HD1 TYR 108 1HD TYR 108 6.807 -3.108 0.156 838 HD2 TYR 108 2HD TYR 108 2.929 -4.547 1.369 839 HE1 TYR 108 1HE TYR 108 7.496 -5.411 -0.377 840 HE2 TYR 108 2HE TYR 108 3.621 -6.853 0.924 841 HH TYR 108 HH TYR 108 6.902 -7.629 -0.348 842 H ASN 109 H ASN 109 4.209 0.687 0.921 843 HA ASN 109 HA ASN 109 1.440 1.367 0.897 844 HB2 ASN 109 1HB ASN 109 3.752 3.275 1.347 845 HB3 ASN 109 2HB ASN 109 2.109 3.411 1.953 846 HD21 ASN 109 1HD2 ASN 109 4.763 3.307 3.529 847 HD22 ASN 109 2HD2 ASN 109 4.630 1.911 4.525 848 H SER 110 H SER 110 3.528 1.468 -1.760 849 HA SER 110 HA SER 110 1.730 3.243 -3.208 850 HB2 SER 110 1HB SER 110 3.372 4.794 -2.243 851 HB3 SER 110 2HB SER 110 4.693 3.851 -2.973 852 HG SER 110 HG SER 110 4.298 4.599 -4.825 853 H GLY 111 H GLY 111 1.221 1.325 -4.217 854 HA2 GLY 111 1HA GLY 111 2.965 0.598 -6.488 855 HA3 GLY 111 2HA GLY 111 2.415 -0.698 -5.403 856 HA PRO 112 HA PRO 112 -0.892 0.234 -8.575 857 HB2 PRO 112 1HB PRO 112 -1.211 -2.250 -9.645 858 HB3 PRO 112 2HB PRO 112 0.094 -1.147 -10.184 859 HG2 PRO 112 1HG PRO 112 0.272 -3.422 -8.175 860 HG3 PRO 112 2HG PRO 112 1.373 -3.071 -9.540 861 HD2 PRO 112 1HD PRO 112 1.889 -2.282 -6.969 862 HD3 PRO 112 2HD PRO 112 2.403 -1.296 -8.369 863 H SER 113 H SER 113 -0.380 -1.960 -5.951 864 HA SER 113 HA SER 113 -3.138 -1.937 -5.084 865 HB2 SER 113 1HB SER 113 -2.909 -4.480 -4.679 866 HB3 SER 113 2HB SER 113 -3.260 -3.940 -6.323 867 HG SER 113 HG SER 113 -1.608 -5.593 -6.033 868 H SER 114 H SER 114 -2.875 -3.443 -2.857 869 HA SER 114 HA SER 114 -0.434 -2.938 -1.392 870 HB2 SER 114 1HB SER 114 -2.035 -0.812 -1.417 871 HB3 SER 114 2HB SER 114 -3.070 -1.791 -0.375 872 HG SER 114 HG SER 114 -1.793 -0.640 0.940 873 H GLY 115 H GLY 115 -0.426 -4.484 0.397 874 HA2 GLY 115 1HA GLY 115 -2.593 -5.832 1.501 875 HA3 GLY 115 2HA GLY 115 -1.961 -6.813 0.152
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