REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1naa_1_A DATA FIRST_RESID 215 DATA SEQUENCE TPYDYIIVGA GPGGIIAADR LSEAGKKVLL LERGGPSTKQ TGGTYVAPWA DATA SEQUENCE TSSGLTKFDI PGLFESLFTD SNPFWWcKDI TVFAGcLVGG GTSVNGALYW DATA SEQUENCE YPNDGDFSSS VGWPSSWTNH APYTSKLSSR LPSTDHPSTD GQRYLEQSFN DATA SEQUENCE VVSQLLKGQG YNQATINDNP NYKDHVFGYS AFDFLNGKRA GPVATYLQTA DATA SEQUENCE LARPNFTFKT NVMVSNVVRN GSQILGVQTN DPTLGPNGFI PVTPKGRVIL DATA SEQUENCE SAGAFGTSRI LFQSGIGPTD MIQTVQSNPT AAAALPPQNQ WINLPVGMNA DATA SEQUENCE QDNPSINLVF THPSIDAYEN WADVWSNPRP ADAAQYLANQ SGVFAGASPK DATA SEQUENCE LNFWRAYSGS DGFTRYAQGT VRPGAASVNS SLPYNASQIF TITVYLSTGI DATA SEQUENCE QSRGRIGIDA ALRGTVLTPP WLVNPVDKTV LLQALHDVVS NIGSIPGLTM DATA SEQUENCE ITPDVTQTLE EYVDAYDPAT MNSNHWVSST TIGSSPQSAV VDSNVKVFGT DATA SEQUENCE NNLFIVDAGI IPHLPTGNPQ GTLMSAAEQA AAKILALAGG P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 215 T HA 0.000 nan 4.350 nan 0.000 0.228 215 T C 0.000 174.553 174.700 -0.245 0.000 1.109 215 T CA 0.000 62.008 62.100 -0.153 0.000 1.349 215 T CB 0.000 68.775 68.868 -0.155 0.000 0.612 216 P HA 0.671 nan 4.420 nan 0.000 0.285 216 P C -1.531 175.491 177.300 -0.464 0.000 1.269 216 P CA -0.582 62.381 63.100 -0.228 0.000 0.844 216 P CB 1.170 32.800 31.700 -0.116 0.000 1.094 217 Y N -0.499 119.774 120.300 -0.044 0.000 2.499 217 Y HA 0.209 4.731 4.550 -0.046 0.000 0.347 217 Y C 1.462 177.342 175.900 -0.033 0.000 0.987 217 Y CA -0.404 57.685 58.100 -0.019 0.000 1.044 217 Y CB 1.478 39.933 38.460 -0.008 0.000 1.245 217 Y HN 0.241 nan 8.280 nan 0.000 0.461 218 D N 0.761 121.236 120.400 0.125 0.000 2.144 218 D HA -0.114 4.498 4.640 -0.046 0.000 0.200 218 D C -0.604 175.558 176.300 -0.229 0.000 0.978 218 D CA 1.860 55.844 54.000 -0.027 0.000 0.833 218 D CB 0.124 40.969 40.800 0.074 0.000 0.961 218 D HN 0.380 nan 8.370 nan 0.000 0.470 219 Y N -0.637 119.740 120.300 0.129 0.000 2.406 219 Y HA 0.445 4.968 4.550 -0.046 0.000 0.340 219 Y C -0.182 175.762 175.900 0.074 0.000 0.975 219 Y CA -0.730 57.422 58.100 0.087 0.000 1.056 219 Y CB 1.919 40.410 38.460 0.051 0.000 1.210 219 Y HN -0.312 nan 8.280 nan 0.000 0.448 220 I N 5.265 125.938 120.570 0.172 0.000 2.355 220 I HA 0.418 4.561 4.170 -0.046 0.000 0.288 220 I C -0.777 175.398 176.117 0.098 0.000 0.999 220 I CA -0.477 60.857 61.300 0.057 0.000 1.163 220 I CB 1.114 39.113 38.000 -0.001 0.000 1.316 220 I HN 0.450 nan 8.210 nan 0.000 0.454 221 I N 7.017 127.634 120.570 0.077 0.000 2.355 221 I HA 0.294 4.436 4.170 -0.046 0.000 0.288 221 I C -0.409 175.752 176.117 0.072 0.000 0.999 221 I CA -0.835 60.520 61.300 0.092 0.000 1.163 221 I CB 1.718 39.776 38.000 0.098 0.000 1.316 221 I HN 0.186 nan 8.210 nan 0.000 0.454 222 V N 5.598 125.554 119.914 0.070 0.000 2.334 222 V HA 0.735 4.828 4.120 -0.046 0.000 0.267 222 V C 0.519 176.656 176.094 0.072 0.000 1.040 222 V CA -0.424 61.912 62.300 0.060 0.000 0.866 222 V CB 0.488 32.339 31.823 0.046 0.000 1.019 222 V HN 1.065 nan 8.190 nan 0.000 0.468 223 G N 4.076 112.931 108.800 0.092 0.000 3.435 223 G HA2 0.268 4.200 3.960 -0.046 0.000 0.683 223 G HA3 0.268 4.200 3.960 -0.046 0.000 0.683 223 G C -0.174 174.796 174.900 0.117 0.000 1.189 223 G CA -0.392 44.768 45.100 0.101 0.000 1.069 223 G HN 1.353 nan 8.290 nan 0.000 0.508 224 A N 1.800 124.714 122.820 0.157 0.000 3.197 224 A HA 0.727 5.019 4.320 -0.046 0.000 0.263 224 A C 1.423 179.064 177.584 0.095 0.000 1.524 224 A CA 1.128 53.253 52.037 0.147 0.000 1.176 224 A CB -0.363 18.819 19.000 0.302 0.000 1.096 224 A HN 1.989 nan 8.150 nan 0.000 0.655 225 G N 0.181 109.028 108.800 0.079 0.000 2.510 225 G HA2 0.454 4.387 3.960 -0.046 0.000 0.280 225 G HA3 0.454 4.387 3.960 -0.046 0.000 0.280 225 G C -1.002 173.916 174.900 0.032 0.000 1.386 225 G CA -0.798 44.345 45.100 0.071 0.000 1.047 225 G HN 0.176 nan 8.290 nan 0.000 0.527 226 P HA -0.074 nan 4.420 nan 0.000 0.216 226 P C 1.946 179.215 177.300 -0.052 0.000 1.153 226 P CA 1.765 64.857 63.100 -0.012 0.000 0.848 226 P CB -0.181 31.537 31.700 0.030 0.000 0.787 227 G N 0.366 109.167 108.800 0.001 0.000 2.459 227 G HA2 -0.218 3.714 3.960 -0.046 0.000 0.217 227 G HA3 -0.218 3.714 3.960 -0.046 0.000 0.217 227 G C 1.918 176.800 174.900 -0.030 0.000 1.183 227 G CA 1.105 46.204 45.100 -0.001 0.000 0.776 227 G HN 0.373 nan 8.290 nan 0.000 0.552 228 G N 0.841 109.638 108.800 -0.004 0.000 2.421 228 G HA2 -0.143 3.790 3.960 -0.046 0.000 0.216 228 G HA3 -0.143 3.790 3.960 -0.046 0.000 0.216 228 G C 1.803 176.675 174.900 -0.047 0.000 1.171 228 G CA 0.795 45.895 45.100 -0.000 0.000 0.775 228 G HN 0.435 nan 8.290 nan 0.000 0.543 229 I N 0.454 120.975 120.570 -0.082 0.000 2.179 229 I HA -0.136 4.007 4.170 -0.046 0.000 0.242 229 I C 2.676 178.663 176.117 -0.216 0.000 1.088 229 I CA 0.860 62.072 61.300 -0.145 0.000 1.357 229 I CB -0.175 37.747 38.000 -0.130 0.000 1.051 229 I HN 0.152 nan 8.210 nan 0.000 0.409 230 I N 0.651 121.029 120.570 -0.319 0.000 2.226 230 I HA -0.275 3.868 4.170 -0.046 0.000 0.245 230 I C 2.800 178.773 176.117 -0.240 0.000 1.100 230 I CA 1.292 62.301 61.300 -0.486 0.000 1.374 230 I CB -0.462 37.153 38.000 -0.642 0.000 1.057 230 I HN 0.178 nan 8.210 nan 0.000 0.413 231 A N 0.772 123.490 122.820 -0.170 0.000 1.908 231 A HA -0.193 4.100 4.320 -0.046 0.000 0.218 231 A C 2.531 180.023 177.584 -0.152 0.000 1.181 231 A CA 1.954 53.905 52.037 -0.144 0.000 0.627 231 A CB -0.818 18.119 19.000 -0.104 0.000 0.818 231 A HN 0.442 nan 8.150 nan 0.000 0.445 232 A N -0.299 122.448 122.820 -0.121 0.000 1.898 232 A HA -0.162 4.130 4.320 -0.046 0.000 0.216 232 A C 1.861 179.319 177.584 -0.209 0.000 1.181 232 A CA 2.107 54.087 52.037 -0.095 0.000 0.620 232 A CB -0.628 18.362 19.000 -0.016 0.000 0.819 232 A HN 0.527 nan 8.150 nan 0.000 0.442 233 D N -0.761 119.506 120.400 -0.222 0.000 2.097 233 D HA -0.140 4.473 4.640 -0.046 0.000 0.195 233 D C 2.154 178.393 176.300 -0.102 0.000 0.989 233 D CA 1.119 55.014 54.000 -0.175 0.000 0.827 233 D CB -0.023 40.778 40.800 0.002 0.000 0.966 233 D HN 0.146 nan 8.370 nan 0.000 0.456 234 R N -0.081 120.374 120.500 -0.074 0.000 2.115 234 R HA 0.026 4.339 4.340 -0.046 0.000 0.230 234 R C 2.479 178.714 176.300 -0.108 0.000 1.111 234 R CA 0.414 56.475 56.100 -0.065 0.000 0.976 234 R CB -0.889 29.380 30.300 -0.052 0.000 0.870 234 R HN 0.360 nan 8.270 nan 0.000 0.445 235 L N 0.819 121.940 121.223 -0.169 0.000 2.131 235 L HA -0.093 4.219 4.340 -0.046 0.000 0.206 235 L C 2.444 179.256 176.870 -0.096 0.000 1.087 235 L CA 1.421 56.126 54.840 -0.225 0.000 0.767 235 L CB -0.489 41.287 42.059 -0.472 0.000 0.917 235 L HN 0.223 nan 8.230 nan 0.000 0.441 236 S N -0.785 114.883 115.700 -0.054 0.000 2.402 236 S HA -0.242 4.200 4.470 -0.046 0.000 0.229 236 S C 1.814 176.411 174.600 -0.005 0.000 1.021 236 S CA 1.206 59.418 58.200 0.020 0.000 0.974 236 S CB -0.333 62.893 63.200 0.043 0.000 0.800 236 S HN 0.480 nan 8.310 nan 0.000 0.484 237 E N 1.766 121.941 120.200 -0.042 0.000 2.110 237 E HA -0.066 4.256 4.350 -0.046 0.000 0.193 237 E C 1.854 178.444 176.600 -0.016 0.000 0.988 237 E CA 0.926 57.307 56.400 -0.032 0.000 0.804 237 E CB -0.424 29.252 29.700 -0.040 0.000 0.745 237 E HN 0.704 nan 8.360 nan 0.000 0.458 238 A N -0.048 122.760 122.820 -0.021 0.000 2.239 238 A HA 0.182 4.474 4.320 -0.046 0.000 0.209 238 A C 1.627 179.222 177.584 0.019 0.000 1.171 238 A CA 0.989 53.022 52.037 -0.007 0.000 0.768 238 A CB -0.490 18.497 19.000 -0.020 0.000 0.790 238 A HN 0.493 nan 8.150 nan 0.000 0.478 239 G N -0.928 107.891 108.800 0.031 0.000 2.141 239 G HA2 -0.203 3.730 3.960 -0.046 0.000 0.231 239 G HA3 -0.203 3.730 3.960 -0.046 0.000 0.231 239 G C 0.040 174.988 174.900 0.080 0.000 0.984 239 G CA 0.210 45.340 45.100 0.050 0.000 0.660 239 G HN 0.413 nan 8.290 nan 0.000 0.525 240 K N 0.436 120.899 120.400 0.104 0.000 2.185 240 K HA 0.367 4.660 4.320 -0.046 0.000 0.271 240 K C 0.386 177.104 176.600 0.197 0.000 1.013 240 K CA -0.647 55.744 56.287 0.174 0.000 0.943 240 K CB 1.253 33.919 32.500 0.277 0.000 0.998 240 K HN 0.304 nan 8.250 nan 0.000 0.468 241 K N 1.991 122.514 120.400 0.205 0.000 2.310 241 K HA 0.171 4.464 4.320 -0.046 0.000 0.290 241 K C -0.946 175.862 176.600 0.346 0.000 1.077 241 K CA -0.258 56.162 56.287 0.221 0.000 0.922 241 K CB 0.360 32.930 32.500 0.117 0.000 1.057 241 K HN 0.221 nan 8.250 nan 0.000 0.479 242 V N 5.879 126.003 119.914 0.350 0.000 2.540 242 V HA 0.368 4.460 4.120 -0.046 0.000 0.302 242 V C -0.871 175.282 176.094 0.098 0.000 1.035 242 V CA -1.078 61.410 62.300 0.315 0.000 0.873 242 V CB 1.565 33.597 31.823 0.349 0.000 0.992 242 V HN 0.631 nan 8.190 nan 0.000 0.428 243 L N 5.807 126.940 121.223 -0.150 0.000 2.313 243 L HA 0.731 5.043 4.340 -0.046 0.000 0.283 243 L C -1.002 175.748 176.870 -0.201 0.000 1.013 243 L CA -0.304 54.235 54.840 -0.502 0.000 0.816 243 L CB 1.493 42.836 42.059 -1.193 0.000 1.236 243 L HN 0.632 nan 8.230 nan 0.000 0.419 244 L N 5.970 127.115 121.223 -0.130 0.000 2.296 244 L HA 0.643 4.956 4.340 -0.046 0.000 0.286 244 L C -1.408 175.556 176.870 0.156 0.000 1.023 244 L CA -0.124 54.786 54.840 0.118 0.000 0.812 244 L CB 1.326 43.574 42.059 0.315 0.000 1.223 244 L HN 0.619 nan 8.230 nan 0.000 0.421 245 L N 3.992 125.279 121.223 0.107 0.000 2.334 245 L HA 0.705 5.018 4.340 -0.046 0.000 0.276 245 L C -0.795 176.139 176.870 0.108 0.000 1.014 245 L CA -0.696 54.173 54.840 0.049 0.000 0.815 245 L CB 1.938 43.985 42.059 -0.020 0.000 1.268 245 L HN 0.592 nan 8.230 nan 0.000 0.428 246 E N 1.354 121.572 120.200 0.031 0.000 2.278 246 E HA 0.275 4.597 4.350 -0.046 0.000 0.272 246 E C 0.173 176.767 176.600 -0.010 0.000 0.890 246 E CA -0.740 55.696 56.400 0.061 0.000 0.770 246 E CB 1.403 31.177 29.700 0.124 0.000 1.212 246 E HN 0.528 nan 8.360 nan 0.000 0.415 247 R N 2.466 122.978 120.500 0.021 0.000 2.148 247 R HA 0.204 4.517 4.340 -0.046 0.000 0.223 247 R C 0.857 177.159 176.300 0.003 0.000 1.088 247 R CA 0.884 56.988 56.100 0.007 0.000 0.985 247 R CB 0.021 30.337 30.300 0.026 0.000 0.880 247 R HN 0.310 nan 8.270 nan 0.000 0.451 248 G N -0.107 108.703 108.800 0.017 0.000 2.568 248 G HA2 0.521 4.454 3.960 -0.046 0.000 0.293 248 G HA3 0.521 4.454 3.960 -0.046 0.000 0.293 248 G C -0.555 174.339 174.900 -0.009 0.000 1.347 248 G CA -0.445 44.668 45.100 0.022 0.000 1.039 248 G HN 0.292 nan 8.290 nan 0.000 0.523 249 G N -1.337 107.467 108.800 0.008 0.000 2.642 249 G HA2 0.631 4.564 3.960 -0.046 0.000 0.291 249 G HA3 0.631 4.564 3.960 -0.046 0.000 0.291 249 G C -2.753 172.150 174.900 0.006 0.000 1.345 249 G CA -1.246 43.846 45.100 -0.012 0.000 1.043 249 G HN 0.476 nan 8.290 nan 0.000 0.528 250 P HA 0.082 nan 4.420 nan 0.000 0.268 250 P C 0.322 177.632 177.300 0.016 0.000 1.208 250 P CA 0.275 63.396 63.100 0.036 0.000 0.777 250 P CB 1.264 32.995 31.700 0.051 0.000 0.875 251 S N 0.202 115.880 115.700 -0.036 0.000 3.248 251 S HA 0.211 4.653 4.470 -0.046 0.000 0.173 251 S C 0.528 175.191 174.600 0.105 0.000 0.749 251 S CA 0.172 58.227 58.200 -0.242 0.000 0.898 251 S CB -0.946 62.007 63.200 -0.413 0.000 1.027 251 S HN 0.503 nan 8.310 nan 0.000 0.781 252 T N 0.014 114.627 114.554 0.100 0.000 2.788 252 T HA 0.368 4.691 4.350 -0.046 0.000 0.287 252 T C 0.921 175.694 174.700 0.121 0.000 1.007 252 T CA -0.262 61.933 62.100 0.159 0.000 1.005 252 T CB 0.795 69.725 68.868 0.104 0.000 1.012 252 T HN 0.556 nan 8.240 nan 0.000 0.530 253 K N 0.666 121.124 120.400 0.098 0.000 2.034 253 K HA -0.306 3.987 4.320 -0.046 0.000 0.214 253 K C 2.421 179.056 176.600 0.058 0.000 1.051 253 K CA 2.278 58.605 56.287 0.066 0.000 0.931 253 K CB -0.384 32.136 32.500 0.032 0.000 0.715 253 K HN 0.879 nan 8.250 nan 0.000 0.446 254 Q N -0.183 119.649 119.800 0.053 0.000 2.364 254 Q HA -0.105 4.207 4.340 -0.046 0.000 0.209 254 Q C 1.291 177.332 176.000 0.069 0.000 0.977 254 Q CA 1.713 57.546 55.803 0.050 0.000 0.885 254 Q CB -0.284 28.478 28.738 0.040 0.000 0.941 254 Q HN 0.388 nan 8.270 nan 0.000 0.464 255 T N -4.114 110.490 114.554 0.082 0.000 3.129 255 T HA 0.405 4.727 4.350 -0.046 0.000 0.251 255 T C 1.223 175.976 174.700 0.088 0.000 1.117 255 T CA 0.333 62.496 62.100 0.105 0.000 1.034 255 T CB 0.513 69.451 68.868 0.117 0.000 0.968 255 T HN 0.610 nan 8.240 nan 0.000 0.526 256 G N 0.235 109.079 108.800 0.073 0.000 2.148 256 G HA2 -0.022 3.910 3.960 -0.046 0.000 0.203 256 G HA3 -0.022 3.910 3.960 -0.046 0.000 0.203 256 G C 0.357 175.299 174.900 0.071 0.000 0.993 256 G CA -0.365 44.771 45.100 0.059 0.000 0.661 256 G HN 0.981 nan 8.290 nan 0.000 0.518 257 G N -0.224 108.637 108.800 0.102 0.000 2.442 257 G HA2 0.572 4.505 3.960 -0.046 0.000 0.249 257 G HA3 0.572 4.505 3.960 -0.046 0.000 0.249 257 G C 0.899 175.889 174.900 0.149 0.000 1.263 257 G CA 1.008 46.202 45.100 0.156 0.000 0.846 257 G HN 1.265 nan 8.290 nan 0.000 0.555 258 T N -1.549 113.111 114.554 0.176 0.000 3.170 258 T HA 0.105 4.427 4.350 -0.046 0.000 0.288 258 T C 0.052 174.883 174.700 0.219 0.000 0.992 258 T CA -0.321 61.862 62.100 0.138 0.000 0.909 258 T CB -0.145 68.775 68.868 0.087 0.000 1.133 258 T HN 0.333 nan 8.240 nan 0.000 0.530 259 Y N 3.031 123.438 120.300 0.179 0.000 2.568 259 Y HA 0.542 5.065 4.550 -0.045 0.000 0.338 259 Y C -0.602 175.434 175.900 0.225 0.000 1.245 259 Y CA -1.399 56.853 58.100 0.253 0.000 1.667 259 Y CB -0.470 38.243 38.460 0.422 0.000 1.568 259 Y HN 0.089 nan 8.280 nan 0.000 0.471 260 V N 4.674 124.543 119.914 -0.074 0.000 2.459 260 V HA 0.620 4.713 4.120 -0.046 0.000 0.295 260 V C 0.354 176.007 176.094 -0.735 0.000 1.029 260 V CA -1.181 60.931 62.300 -0.314 0.000 0.874 260 V CB 1.109 32.776 31.823 -0.259 0.000 0.985 260 V HN 0.786 nan 8.190 nan 0.000 0.438 261 A N 6.449 128.490 122.820 -1.299 0.000 2.531 261 A HA 0.338 4.630 4.320 -0.046 0.000 0.236 261 A C -1.233 175.680 177.584 -1.118 0.000 1.062 261 A CA -0.526 50.348 52.037 -1.938 0.000 0.760 261 A CB -0.203 17.691 19.000 -1.843 0.000 0.995 261 A HN 0.735 nan 8.150 nan 0.000 0.501 262 P HA -0.211 nan 4.420 nan 0.000 0.216 262 P C 1.604 178.718 177.300 -0.310 0.000 1.157 262 P CA 2.182 65.033 63.100 -0.415 0.000 0.880 262 P CB -0.225 31.320 31.700 -0.260 0.000 0.791 263 W N -0.309 120.775 121.300 -0.360 0.000 2.392 263 W HA 0.057 4.690 4.660 -0.046 0.000 0.279 263 W C 1.295 177.671 176.519 -0.239 0.000 1.225 263 W CA 0.963 58.150 57.345 -0.263 0.000 1.233 263 W CB -1.515 27.790 29.460 -0.258 0.000 1.122 263 W HN -0.102 nan 8.180 nan 0.000 0.561 264 A N 1.194 123.434 122.820 -0.967 0.000 2.275 264 A HA 0.087 4.380 4.320 -0.046 0.000 0.212 264 A C 1.825 179.124 177.584 -0.476 0.000 1.201 264 A CA 1.121 52.594 52.037 -0.939 0.000 0.843 264 A CB -0.900 17.217 19.000 -1.471 0.000 0.873 264 A HN 0.218 nan 8.150 nan 0.000 0.492 265 T N 1.284 115.620 114.554 -0.364 0.000 2.620 265 T HA -0.252 4.070 4.350 -0.046 0.000 0.267 265 T C 2.348 176.951 174.700 -0.163 0.000 1.044 265 T CA 2.428 64.383 62.100 -0.242 0.000 1.161 265 T CB -0.453 68.308 68.868 -0.177 0.000 0.862 265 T HN 0.849 nan 8.240 nan 0.000 0.438 266 S N 1.781 117.407 115.700 -0.123 0.000 2.419 266 S HA -0.133 4.310 4.470 -0.046 0.000 0.235 266 S C 2.223 176.770 174.600 -0.087 0.000 1.019 266 S CA 1.451 59.601 58.200 -0.083 0.000 0.982 266 S CB -0.649 62.518 63.200 -0.054 0.000 0.789 266 S HN 0.662 nan 8.310 nan 0.000 0.490 267 S N 0.768 116.398 115.700 -0.115 0.000 2.489 267 S HA 0.340 4.783 4.470 -0.046 0.000 0.228 267 S C 1.855 176.396 174.600 -0.100 0.000 0.995 267 S CA 0.711 58.848 58.200 -0.105 0.000 0.934 267 S CB -0.986 62.143 63.200 -0.117 0.000 0.771 267 S HN 1.455 nan 8.310 nan 0.000 0.522 268 G N 1.058 109.787 108.800 -0.119 0.000 2.196 268 G HA2 -0.268 3.665 3.960 -0.046 0.000 0.268 268 G HA3 -0.268 3.665 3.960 -0.046 0.000 0.268 268 G C 0.013 174.857 174.900 -0.092 0.000 0.975 268 G CA 0.601 45.644 45.100 -0.094 0.000 0.648 268 G HN 0.593 nan 8.290 nan 0.000 0.538 269 L N 2.245 123.391 121.223 -0.128 0.000 2.361 269 L HA 0.402 4.714 4.340 -0.046 0.000 0.278 269 L C 1.599 178.372 176.870 -0.161 0.000 1.113 269 L CA 0.089 54.868 54.840 -0.103 0.000 0.849 269 L CB 0.611 42.634 42.059 -0.060 0.000 1.155 269 L HN 0.405 nan 8.230 nan 0.000 0.452 270 T N -0.777 113.736 114.554 -0.069 0.000 2.770 270 T HA 0.110 4.433 4.350 -0.046 0.000 0.281 270 T C 1.110 175.710 174.700 -0.167 0.000 0.981 270 T CA -0.647 61.417 62.100 -0.060 0.000 0.955 270 T CB 1.136 70.092 68.868 0.146 0.000 1.060 270 T HN 0.612 nan 8.240 nan 0.000 0.531 271 K N -0.487 119.753 120.400 -0.267 0.000 2.113 271 K HA -0.128 4.164 4.320 -0.046 0.000 0.208 271 K C 1.679 177.910 176.600 -0.615 0.000 1.047 271 K CA 1.696 57.697 56.287 -0.478 0.000 0.928 271 K CB -0.424 31.560 32.500 -0.860 0.000 0.716 271 K HN 0.672 nan 8.250 nan 0.000 0.446 272 F N 0.872 120.730 119.950 -0.154 0.000 2.367 272 F HA -0.044 4.455 4.527 -0.046 0.000 0.298 272 F C 2.001 177.736 175.800 -0.108 0.000 1.094 272 F CA 0.610 58.512 58.000 -0.163 0.000 1.409 272 F CB -0.258 38.655 39.000 -0.146 0.000 1.064 272 F HN 0.030 nan 8.300 nan 0.000 0.528 273 D N 0.675 121.097 120.400 0.037 0.000 2.149 273 D HA 0.004 4.617 4.640 -0.046 0.000 0.201 273 D C 0.849 177.097 176.300 -0.087 0.000 0.972 273 D CA 0.966 54.963 54.000 -0.005 0.000 0.835 273 D CB 0.141 40.944 40.800 0.005 0.000 0.966 273 D HN 0.196 nan 8.370 nan 0.000 0.476 274 I N 2.173 122.667 120.570 -0.126 0.000 2.312 274 I HA 0.064 4.206 4.170 -0.046 0.000 0.291 274 I C -1.577 174.415 176.117 -0.209 0.000 1.031 274 I CA -1.809 59.373 61.300 -0.197 0.000 1.293 274 I CB 1.616 39.438 38.000 -0.297 0.000 1.403 274 I HN -0.267 nan 8.210 nan 0.000 0.484 275 P HA -0.158 nan 4.420 nan 0.000 0.216 275 P C 1.611 178.873 177.300 -0.063 0.000 1.153 275 P CA 1.164 64.050 63.100 -0.357 0.000 0.858 275 P CB 0.186 31.454 31.700 -0.721 0.000 0.789 276 G N -0.680 108.151 108.800 0.052 0.000 2.535 276 G HA2 -0.173 3.759 3.960 -0.046 0.000 0.218 276 G HA3 -0.173 3.759 3.960 -0.046 0.000 0.218 276 G C 1.224 176.383 174.900 0.432 0.000 1.122 276 G CA 0.228 45.506 45.100 0.297 0.000 0.769 276 G HN 0.265 nan 8.290 nan 0.000 0.549 277 L N -0.276 121.114 121.223 0.278 0.000 2.591 277 L HA 0.209 4.521 4.340 -0.046 0.000 0.228 277 L C 2.190 179.101 176.870 0.069 0.000 1.133 277 L CA -0.427 54.542 54.840 0.215 0.000 0.880 277 L CB -0.286 41.834 42.059 0.102 0.000 1.033 277 L HN 0.189 nan 8.230 nan 0.000 0.450 278 F N 1.933 121.843 119.950 -0.068 0.000 2.043 278 F HA -0.308 4.191 4.527 -0.046 0.000 0.297 278 F C 2.434 178.202 175.800 -0.054 0.000 1.118 278 F CA 1.916 59.858 58.000 -0.096 0.000 1.202 278 F CB -0.065 38.904 39.000 -0.052 0.000 0.965 278 F HN 0.090 nan 8.300 nan 0.000 0.482 279 E N 0.168 120.157 120.200 -0.351 0.000 2.204 279 E HA -0.175 4.148 4.350 -0.046 0.000 0.195 279 E C 2.368 178.939 176.600 -0.048 0.000 0.990 279 E CA 1.282 57.504 56.400 -0.297 0.000 0.821 279 E CB -0.758 28.742 29.700 -0.332 0.000 0.750 279 E HN 0.579 nan 8.360 nan 0.000 0.477 280 S N 0.234 115.914 115.700 -0.033 0.000 2.555 280 S HA -0.006 4.436 4.470 -0.046 0.000 0.230 280 S C 1.941 176.440 174.600 -0.169 0.000 0.978 280 S CA 0.168 58.364 58.200 -0.007 0.000 0.934 280 S CB -0.369 62.878 63.200 0.079 0.000 0.766 280 S HN 0.183 nan 8.310 nan 0.000 0.533 281 L N -0.728 120.237 121.223 -0.430 0.000 2.362 281 L HA 0.137 4.450 4.340 -0.046 0.000 0.219 281 L C 1.209 177.901 176.870 -0.296 0.000 1.134 281 L CA 0.858 55.345 54.840 -0.588 0.000 0.807 281 L CB -0.359 41.094 42.059 -1.009 0.000 0.927 281 L HN 0.342 nan 8.230 nan 0.000 0.447 282 F N -1.899 118.118 119.950 0.113 0.000 2.704 282 F HA 0.057 4.557 4.527 -0.046 0.000 0.304 282 F C 1.911 177.820 175.800 0.180 0.000 1.094 282 F CA 0.376 58.491 58.000 0.192 0.000 1.275 282 F CB -0.069 38.943 39.000 0.021 0.000 1.073 282 F HN -0.015 nan 8.300 nan 0.000 0.586 283 T N -4.324 110.380 114.554 0.249 0.000 3.091 283 T HA 0.106 4.429 4.350 -0.046 0.000 0.277 283 T C 0.171 174.946 174.700 0.125 0.000 0.996 283 T CA -0.340 61.873 62.100 0.190 0.000 0.897 283 T CB 0.001 68.978 68.868 0.182 0.000 1.109 283 T HN -0.047 nan 8.240 nan 0.000 0.534 284 D N 2.225 122.692 120.400 0.112 0.000 2.345 284 D HA 0.121 4.733 4.640 -0.046 0.000 0.247 284 D C 1.439 177.754 176.300 0.024 0.000 1.108 284 D CA 0.297 54.323 54.000 0.044 0.000 0.894 284 D CB 1.976 42.844 40.800 0.113 0.000 1.203 284 D HN 0.322 nan 8.370 nan 0.000 0.430 285 S N 2.737 118.448 115.700 0.018 0.000 2.481 285 S HA -0.154 4.289 4.470 -0.046 0.000 0.231 285 S C 0.841 175.425 174.600 -0.028 0.000 0.996 285 S CA 0.301 58.512 58.200 0.018 0.000 0.942 285 S CB 0.080 63.305 63.200 0.041 0.000 0.768 285 S HN 0.497 nan 8.310 nan 0.000 0.520 286 N N 1.764 120.413 118.700 -0.084 0.000 2.726 286 N HA 0.328 5.040 4.740 -0.046 0.000 0.253 286 N C -3.251 172.002 175.510 -0.427 0.000 1.530 286 N CA -1.589 51.371 53.050 -0.150 0.000 0.772 286 N CB 1.266 39.725 38.487 -0.047 0.000 1.220 286 N HN 0.087 nan 8.380 nan 0.000 0.508 287 P HA 0.130 nan 4.420 nan 0.000 0.260 287 P C 0.339 176.699 177.300 -1.566 0.000 1.651 287 P CA -0.433 61.539 63.100 -1.879 0.000 1.139 287 P CB -0.695 30.226 31.700 -1.298 0.000 1.756 288 F N 0.518 119.787 119.950 -1.134 0.000 2.748 288 F HA 0.091 4.591 4.527 -0.046 0.000 0.299 288 F C 1.360 176.959 175.800 -0.336 0.000 1.154 288 F CA -0.700 56.994 58.000 -0.510 0.000 1.446 288 F CB -1.245 37.594 39.000 -0.268 0.000 1.112 288 F HN 0.174 nan 8.300 nan 0.000 0.584 289 W N -0.823 120.035 121.300 -0.737 0.000 2.770 289 W HA 0.262 4.894 4.660 -0.046 0.000 0.256 289 W C 0.174 176.507 176.519 -0.311 0.000 1.291 289 W CA -1.501 55.503 57.345 -0.568 0.000 1.396 289 W CB -1.285 27.712 29.460 -0.772 0.000 1.114 289 W HN -0.109 nan 8.180 nan 0.000 0.637 290 W N 1.160 122.372 121.300 -0.146 0.000 2.261 290 W HA 0.372 5.005 4.660 -0.046 0.000 0.323 290 W C 0.093 176.618 176.519 0.010 0.000 1.243 290 W CA -1.378 55.980 57.345 0.020 0.000 1.210 290 W CB 0.397 29.867 29.460 0.015 0.000 1.149 290 W HN -0.410 nan 8.180 nan 0.000 0.562 291 c N 3.296 122.083 118.600 0.310 0.000 2.633 291 c HA -0.041 4.501 4.570 -0.046 0.000 0.415 291 c C 1.756 175.906 174.090 0.100 0.000 1.393 291 c CA -0.177 56.248 56.329 0.160 0.000 1.700 291 c CB -0.358 42.230 42.510 0.129 0.000 2.541 291 c HN 0.761 nan 8.230 nan 0.000 0.603 292 K N 1.251 121.688 120.400 0.061 0.000 2.418 292 K HA -0.054 4.239 4.320 -0.046 0.000 0.195 292 K C 0.662 177.260 176.600 -0.003 0.000 1.035 292 K CA 0.956 57.260 56.287 0.029 0.000 1.003 292 K CB 0.059 32.571 32.500 0.021 0.000 0.793 292 K HN 0.807 nan 8.250 nan 0.000 0.494 293 D N -0.146 120.250 120.400 -0.007 0.000 2.538 293 D HA 0.131 4.743 4.640 -0.046 0.000 0.231 293 D C -0.062 176.201 176.300 -0.062 0.000 1.229 293 D CA -0.190 53.795 54.000 -0.025 0.000 0.828 293 D CB 0.043 40.840 40.800 -0.006 0.000 1.035 293 D HN -0.002 nan 8.370 nan 0.000 0.495 294 I N 0.741 121.247 120.570 -0.107 0.000 2.545 294 I HA 0.184 4.327 4.170 -0.046 0.000 0.292 294 I C 1.094 177.035 176.117 -0.294 0.000 1.040 294 I CA -0.695 60.455 61.300 -0.250 0.000 1.068 294 I CB 2.412 40.237 38.000 -0.292 0.000 1.251 294 I HN -0.118 nan 8.210 nan 0.000 0.424 295 T N 1.596 115.927 114.554 -0.372 0.000 3.113 295 T HA 0.121 4.444 4.350 -0.046 0.000 0.256 295 T C 0.417 174.903 174.700 -0.356 0.000 1.131 295 T CA 0.023 61.945 62.100 -0.297 0.000 1.074 295 T CB -0.393 68.343 68.868 -0.220 0.000 0.944 295 T HN 0.417 nan 8.240 nan 0.000 0.516 296 V N -2.585 117.048 119.914 -0.468 0.000 3.113 296 V HA 0.768 4.860 4.120 -0.046 0.000 0.316 296 V C -0.513 175.382 176.094 -0.332 0.000 1.125 296 V CA -2.039 60.022 62.300 -0.400 0.000 1.026 296 V CB 0.835 32.551 31.823 -0.179 0.000 1.080 296 V HN 0.041 nan 8.190 nan 0.000 0.444 297 F N 1.764 121.604 119.950 -0.184 0.000 2.578 297 F HA 0.619 5.118 4.527 -0.046 0.000 0.381 297 F C 0.866 176.694 175.800 0.047 0.000 1.069 297 F CA 0.836 58.671 58.000 -0.276 0.000 1.231 297 F CB 0.088 38.858 39.000 -0.383 0.000 1.086 297 F HN 1.000 nan 8.300 nan 0.000 0.564 298 A N 2.369 125.424 122.820 0.392 0.000 2.517 298 A HA 0.685 4.978 4.320 -0.046 0.000 0.297 298 A C -0.311 177.602 177.584 0.549 0.000 1.050 298 A CA -0.392 51.894 52.037 0.416 0.000 0.694 298 A CB 0.939 20.088 19.000 0.248 0.000 1.277 298 A HN 0.923 nan 8.150 nan 0.000 0.400 299 G N -0.046 109.032 108.800 0.463 0.000 2.339 299 G HA2 0.476 4.408 3.960 -0.046 0.000 0.287 299 G HA3 0.476 4.408 3.960 -0.046 0.000 0.287 299 G C -0.372 174.663 174.900 0.225 0.000 1.163 299 G CA -0.166 45.147 45.100 0.355 0.000 0.872 299 G HN 0.865 nan 8.290 nan 0.000 0.464 300 c N 4.659 123.368 118.600 0.181 0.000 2.492 300 c HA 0.676 5.219 4.570 -0.046 0.000 0.284 300 c C -0.040 174.099 174.090 0.082 0.000 1.082 300 c CA -0.656 55.749 56.329 0.126 0.000 1.555 300 c CB -2.215 40.369 42.510 0.123 0.000 1.798 300 c HN 0.755 nan 8.230 nan 0.000 0.413 301 L N -0.501 120.752 121.223 0.050 0.000 3.020 301 L HA 0.631 4.944 4.340 -0.046 0.000 0.273 301 L C -0.912 175.969 176.870 0.019 0.000 1.018 301 L CA -0.940 53.901 54.840 0.002 0.000 0.950 301 L CB 0.943 42.934 42.059 -0.113 0.000 1.510 301 L HN -0.113 nan 8.230 nan 0.000 0.404 302 V N 1.989 121.923 119.914 0.034 0.000 2.506 302 V HA 0.350 4.442 4.120 -0.046 0.000 0.296 302 V C 1.399 177.519 176.094 0.045 0.000 1.004 302 V CA 1.979 64.352 62.300 0.121 0.000 1.150 302 V CB -0.317 31.617 31.823 0.185 0.000 0.911 302 V HN 1.224 nan 8.190 nan 0.000 0.476 303 G N 3.213 112.055 108.800 0.070 0.000 2.238 303 G HA2 0.030 3.963 3.960 -0.046 0.000 0.217 303 G HA3 0.030 3.963 3.960 -0.046 0.000 0.217 303 G C 0.986 175.920 174.900 0.057 0.000 0.996 303 G CA 0.258 45.382 45.100 0.040 0.000 0.632 303 G HN 2.068 nan 8.290 nan 0.000 0.503 304 G N -0.165 108.676 108.800 0.067 0.000 2.596 304 G HA2 0.093 4.025 3.960 -0.046 0.000 0.295 304 G HA3 0.093 4.025 3.960 -0.046 0.000 0.295 304 G C 1.860 176.836 174.900 0.126 0.000 1.240 304 G CA 1.938 47.102 45.100 0.107 0.000 0.985 304 G HN 1.885 nan 8.290 nan 0.000 0.555 305 G N -0.755 108.155 108.800 0.184 0.000 2.462 305 G HA2 0.036 3.968 3.960 -0.046 0.000 0.220 305 G HA3 0.036 3.968 3.960 -0.046 0.000 0.220 305 G C 1.989 177.001 174.900 0.185 0.000 1.121 305 G CA 2.643 47.883 45.100 0.234 0.000 0.758 305 G HN 2.001 nan 8.290 nan 0.000 0.559 306 T N -2.421 112.212 114.554 0.132 0.000 3.072 306 T HA 0.070 4.393 4.350 -0.046 0.000 0.266 306 T C 2.213 176.968 174.700 0.092 0.000 1.127 306 T CA 1.486 63.650 62.100 0.106 0.000 1.107 306 T CB 0.004 68.918 68.868 0.078 0.000 0.910 306 T HN 0.107 nan 8.240 nan 0.000 0.513 307 S N 0.523 116.257 115.700 0.058 0.000 2.517 307 S HA 0.197 4.640 4.470 -0.046 0.000 0.214 307 S C 1.628 176.258 174.600 0.051 0.000 0.991 307 S CA 0.387 58.589 58.200 0.004 0.000 0.906 307 S CB 0.434 63.536 63.200 -0.163 0.000 0.789 307 S HN 0.668 nan 8.310 nan 0.000 0.513 308 V N 0.002 119.968 119.914 0.086 0.000 3.330 308 V HA 0.366 4.459 4.120 -0.046 0.000 0.309 308 V C -0.072 176.210 176.094 0.312 0.000 1.481 308 V CA -0.705 61.650 62.300 0.092 0.000 1.068 308 V CB -0.841 30.952 31.823 -0.050 0.000 0.935 308 V HN 0.369 nan 8.190 nan 0.000 0.453 309 N N 1.233 120.107 118.700 0.290 0.000 2.458 309 N HA 0.438 5.150 4.740 -0.046 0.000 0.271 309 N C 1.382 176.877 175.510 -0.025 0.000 1.210 309 N CA 0.007 53.243 53.050 0.311 0.000 0.978 309 N CB 0.990 39.619 38.487 0.237 0.000 1.206 309 N HN 0.033 nan 8.380 nan 0.000 0.536 310 G N -1.184 107.375 108.800 -0.402 0.000 2.501 310 G HA2 0.080 4.012 3.960 -0.046 0.000 0.220 310 G HA3 0.080 4.012 3.960 -0.046 0.000 0.220 310 G C 0.846 175.583 174.900 -0.272 0.000 1.114 310 G CA 1.114 45.605 45.100 -1.016 0.000 0.757 310 G HN 1.521 nan 8.290 nan 0.000 0.559 311 A N -1.843 120.934 122.820 -0.073 0.000 2.979 311 A HA -0.177 4.115 4.320 -0.046 0.000 0.260 311 A C 0.807 178.327 177.584 -0.106 0.000 1.282 311 A CA 0.958 52.982 52.037 -0.021 0.000 0.971 311 A CB -2.098 16.906 19.000 0.006 0.000 1.124 311 A HN 0.482 nan 8.150 nan 0.000 0.826 312 L N -0.707 120.405 121.223 -0.186 0.000 2.540 312 L HA 0.289 4.601 4.340 -0.046 0.000 0.276 312 L C 0.260 176.749 176.870 -0.634 0.000 1.212 312 L CA 0.419 54.923 54.840 -0.561 0.000 0.893 312 L CB 0.272 42.137 42.059 -0.324 0.000 1.138 312 L HN 0.429 nan 8.230 nan 0.000 0.491 313 Y N 3.723 123.265 120.300 -1.264 0.000 2.333 313 Y HA 0.396 4.918 4.550 -0.046 0.000 0.324 313 Y C -1.556 173.729 175.900 -1.025 0.000 1.033 313 Y CA -1.471 56.099 58.100 -0.883 0.000 1.224 313 Y CB 0.985 39.096 38.460 -0.582 0.000 1.120 313 Y HN 0.416 nan 8.280 nan 0.000 0.457 314 W N 6.395 127.475 121.300 -0.367 0.000 2.619 314 W HA 0.479 5.111 4.660 -0.046 0.000 0.327 314 W C -1.145 175.120 176.519 -0.424 0.000 1.027 314 W CA -1.113 55.978 57.345 -0.424 0.000 1.233 314 W CB 0.942 30.275 29.460 -0.212 0.000 1.370 314 W HN 0.380 nan 8.180 nan 0.000 0.453 315 Y N 3.933 124.109 120.300 -0.207 0.000 2.712 315 Y HA 0.051 4.574 4.550 -0.046 0.000 0.333 315 Y C -1.340 174.533 175.900 -0.045 0.000 1.225 315 Y CA -2.349 55.657 58.100 -0.156 0.000 1.499 315 Y CB -0.446 37.952 38.460 -0.103 0.000 1.288 315 Y HN 0.080 nan 8.280 nan 0.000 0.575 316 P HA 0.036 nan 4.420 nan 0.000 0.271 316 P C -0.728 176.561 177.300 -0.018 0.000 1.218 316 P CA -0.346 62.780 63.100 0.043 0.000 0.780 316 P CB 0.977 32.758 31.700 0.135 0.000 0.901 317 N N 0.635 119.275 118.700 -0.100 0.000 2.447 317 N HA 0.108 4.820 4.740 -0.046 0.000 0.271 317 N C 0.537 175.998 175.510 -0.083 0.000 1.226 317 N CA -0.472 52.533 53.050 -0.076 0.000 0.980 317 N CB 0.043 38.433 38.487 -0.162 0.000 1.206 317 N HN 0.126 nan 8.380 nan 0.000 0.558 318 D N -0.700 119.737 120.400 0.062 0.000 2.117 318 D HA -0.075 4.538 4.640 -0.046 0.000 0.197 318 D C 1.863 178.196 176.300 0.054 0.000 0.987 318 D CA 1.693 55.782 54.000 0.148 0.000 0.829 318 D CB -0.890 39.985 40.800 0.126 0.000 0.961 318 D HN 0.802 nan 8.370 nan 0.000 0.460 319 G N 0.681 109.465 108.800 -0.026 0.000 2.443 319 G HA2 -0.214 3.719 3.960 -0.046 0.000 0.219 319 G HA3 -0.214 3.719 3.960 -0.046 0.000 0.219 319 G C 1.233 176.110 174.900 -0.037 0.000 1.131 319 G CA 0.497 45.579 45.100 -0.029 0.000 0.775 319 G HN 0.127 nan 8.290 nan 0.000 0.547 320 D N 0.109 120.446 120.400 -0.106 0.000 2.218 320 D HA -0.049 4.564 4.640 -0.046 0.000 0.204 320 D C 0.975 177.122 176.300 -0.255 0.000 0.976 320 D CA 0.658 54.554 54.000 -0.172 0.000 0.853 320 D CB -0.133 40.513 40.800 -0.257 0.000 0.939 320 D HN 0.406 nan 8.370 nan 0.000 0.481 321 F N 0.038 119.918 119.950 -0.117 0.000 2.708 321 F HA 0.184 4.683 4.527 -0.046 0.000 0.300 321 F C 0.953 176.758 175.800 0.008 0.000 1.118 321 F CA -0.402 57.404 58.000 -0.323 0.000 1.307 321 F CB 0.461 39.181 39.000 -0.468 0.000 0.986 321 F HN -0.331 nan 8.300 nan 0.000 0.522 322 S N -0.026 115.834 115.700 0.266 0.000 2.576 322 S HA 0.080 4.523 4.470 -0.046 0.000 0.276 322 S C 1.562 176.350 174.600 0.315 0.000 1.339 322 S CA 0.190 58.532 58.200 0.237 0.000 1.039 322 S CB 0.820 64.106 63.200 0.142 0.000 0.902 322 S HN 0.403 nan 8.310 nan 0.000 0.516 323 S N 3.045 118.893 115.700 0.247 0.000 2.447 323 S HA -0.113 4.329 4.470 -0.046 0.000 0.233 323 S C 1.938 176.634 174.600 0.161 0.000 1.006 323 S CA 1.138 59.477 58.200 0.232 0.000 0.957 323 S CB -0.791 62.522 63.200 0.188 0.000 0.773 323 S HN 0.918 nan 8.310 nan 0.000 0.507 324 S N 1.921 117.701 115.700 0.133 0.000 2.447 324 S HA -0.039 4.403 4.470 -0.046 0.000 0.233 324 S C 1.718 176.379 174.600 0.101 0.000 1.006 324 S CA 0.721 58.982 58.200 0.102 0.000 0.957 324 S CB -0.882 62.365 63.200 0.079 0.000 0.773 324 S HN 0.978 nan 8.310 nan 0.000 0.507 325 V N -2.218 117.752 119.914 0.094 0.000 3.633 325 V HA 0.703 4.796 4.120 -0.046 0.000 0.283 325 V C 1.348 177.422 176.094 -0.033 0.000 1.305 325 V CA 0.288 62.601 62.300 0.021 0.000 1.153 325 V CB -0.796 31.015 31.823 -0.019 0.000 0.950 325 V HN 0.772 nan 8.190 nan 0.000 0.432 326 G N -1.222 107.573 108.800 -0.010 0.000 2.184 326 G HA2 -0.236 3.697 3.960 -0.046 0.000 0.206 326 G HA3 -0.236 3.697 3.960 -0.046 0.000 0.206 326 G C -0.286 174.529 174.900 -0.141 0.000 0.995 326 G CA -0.246 44.797 45.100 -0.095 0.000 0.651 326 G HN 0.575 nan 8.290 nan 0.000 0.511 327 W N 1.429 122.728 121.300 -0.001 0.000 2.190 327 W HA 0.531 5.164 4.660 -0.044 0.000 0.330 327 W C -1.624 174.936 176.519 0.069 0.000 1.299 327 W CA -1.681 55.664 57.345 -0.001 0.000 1.215 327 W CB 0.214 29.743 29.460 0.116 0.000 1.147 327 W HN -0.003 nan 8.180 nan 0.000 0.563 328 P HA -0.004 nan 4.420 nan 0.000 0.269 328 P C 0.603 178.134 177.300 0.385 0.000 1.215 328 P CA 0.268 63.565 63.100 0.328 0.000 0.780 328 P CB 0.760 32.691 31.700 0.384 0.000 0.898 329 S N 0.943 116.806 115.700 0.272 0.000 2.374 329 S HA -0.182 4.260 4.470 -0.046 0.000 0.227 329 S C 1.818 176.556 174.600 0.230 0.000 1.037 329 S CA 2.022 60.355 58.200 0.223 0.000 1.024 329 S CB -0.997 62.295 63.200 0.154 0.000 0.861 329 S HN 0.716 nan 8.310 nan 0.000 0.456 330 S N -0.614 115.238 115.700 0.254 0.000 2.537 330 S HA -0.074 4.369 4.470 -0.046 0.000 0.240 330 S C 1.060 175.728 174.600 0.114 0.000 0.981 330 S CA 0.523 58.826 58.200 0.171 0.000 0.948 330 S CB -0.518 62.773 63.200 0.152 0.000 0.759 330 S HN 0.693 nan 8.310 nan 0.000 0.531 331 W N 2.144 123.501 121.300 0.095 0.000 3.107 331 W HA 0.214 4.847 4.660 -0.045 0.000 0.293 331 W C 2.573 179.064 176.519 -0.045 0.000 1.239 331 W CA 0.428 57.781 57.345 0.014 0.000 1.653 331 W CB -0.383 29.152 29.460 0.124 0.000 1.068 331 W HN 0.468 nan 8.180 nan 0.000 0.615 332 T N -2.578 112.112 114.554 0.226 0.000 2.915 332 T HA -0.182 4.140 4.350 -0.046 0.000 0.269 332 T C 1.012 175.777 174.700 0.107 0.000 1.071 332 T CA 0.853 63.064 62.100 0.184 0.000 1.132 332 T CB -0.627 68.350 68.868 0.183 0.000 0.878 332 T HN 0.212 nan 8.240 nan 0.000 0.479 333 N N 1.737 120.451 118.700 0.024 0.000 2.971 333 N HA 0.006 4.718 4.740 -0.046 0.000 0.294 333 N C 0.863 176.288 175.510 -0.142 0.000 1.210 333 N CA -0.283 52.724 53.050 -0.073 0.000 1.157 333 N CB 0.020 38.462 38.487 -0.074 0.000 1.450 333 N HN 0.756 nan 8.380 nan 0.000 0.527 334 H N 0.684 119.611 119.070 -0.238 0.000 2.547 334 H HA 0.216 4.745 4.556 -0.046 0.000 0.272 334 H C 1.845 177.026 175.328 -0.245 0.000 0.989 334 H CA 0.722 56.537 56.048 -0.388 0.000 1.214 334 H CB 0.212 29.430 29.762 -0.908 0.000 1.389 334 H HN 0.397 nan 8.280 nan 0.000 0.577 335 A N 2.224 124.546 122.820 -0.831 0.000 1.903 335 A HA -0.148 4.144 4.320 -0.046 0.000 0.219 335 A C 0.147 177.489 177.584 -0.404 0.000 1.191 335 A CA 1.792 53.461 52.037 -0.613 0.000 0.638 335 A CB -1.490 17.215 19.000 -0.492 0.000 0.823 335 A HN 0.467 nan 8.150 nan 0.000 0.451 336 P HA -0.147 nan 4.420 nan 0.000 0.216 336 P C 0.846 177.814 177.300 -0.554 0.000 1.150 336 P CA 1.320 64.087 63.100 -0.554 0.000 0.837 336 P CB -0.199 31.032 31.700 -0.781 0.000 0.786 337 Y N -1.008 119.165 120.300 -0.212 0.000 2.243 337 Y HA -0.065 4.458 4.550 -0.045 0.000 0.293 337 Y C 2.545 178.379 175.900 -0.111 0.000 1.124 337 Y CA 1.301 59.301 58.100 -0.166 0.000 1.159 337 Y CB -1.808 36.514 38.460 -0.230 0.000 1.008 337 Y HN -0.115 nan 8.280 nan 0.000 0.527 338 T N -0.926 113.630 114.554 0.004 0.000 2.746 338 T HA -0.226 4.096 4.350 -0.046 0.000 0.267 338 T C 2.228 176.856 174.700 -0.119 0.000 1.039 338 T CA 1.643 63.745 62.100 0.003 0.000 1.142 338 T CB -0.518 68.411 68.868 0.103 0.000 0.866 338 T HN 0.332 nan 8.240 nan 0.000 0.444 339 S N 0.560 116.156 115.700 -0.174 0.000 2.359 339 S HA -0.137 4.306 4.470 -0.046 0.000 0.224 339 S C 2.092 176.615 174.600 -0.129 0.000 1.035 339 S CA 1.608 59.691 58.200 -0.196 0.000 1.018 339 S CB -0.246 62.834 63.200 -0.200 0.000 0.876 339 S HN 0.481 nan 8.310 nan 0.000 0.448 340 K N 0.153 120.496 120.400 -0.095 0.000 2.097 340 K HA -0.093 4.199 4.320 -0.046 0.000 0.206 340 K C 2.134 178.755 176.600 0.035 0.000 1.049 340 K CA 1.366 57.628 56.287 -0.042 0.000 0.933 340 K CB -0.347 32.133 32.500 -0.034 0.000 0.717 340 K HN 0.373 nan 8.250 nan 0.000 0.442 341 L N 1.125 122.406 121.223 0.097 0.000 2.012 341 L HA -0.201 4.111 4.340 -0.046 0.000 0.210 341 L C 2.185 179.159 176.870 0.174 0.000 1.073 341 L CA 2.541 57.507 54.840 0.211 0.000 0.748 341 L CB -1.018 41.192 42.059 0.250 0.000 0.891 341 L HN 0.318 nan 8.230 nan 0.000 0.431 342 S N -1.110 114.627 115.700 0.060 0.000 2.419 342 S HA -0.178 4.264 4.470 -0.046 0.000 0.233 342 S C 2.079 176.714 174.600 0.057 0.000 1.016 342 S CA 1.211 59.450 58.200 0.065 0.000 0.974 342 S CB -1.168 61.881 63.200 -0.252 0.000 0.786 342 S HN 0.740 nan 8.310 nan 0.000 0.492 343 S N 1.874 117.571 115.700 -0.005 0.000 2.428 343 S HA 0.054 4.497 4.470 -0.046 0.000 0.230 343 S C 1.943 176.512 174.600 -0.053 0.000 1.014 343 S CA 0.116 58.298 58.200 -0.031 0.000 0.957 343 S CB -0.334 62.830 63.200 -0.059 0.000 0.784 343 S HN 0.485 nan 8.310 nan 0.000 0.499 344 R N 0.689 121.142 120.500 -0.078 0.000 2.112 344 R HA 0.406 4.719 4.340 -0.046 0.000 0.216 344 R C 0.282 176.543 176.300 -0.066 0.000 1.080 344 R CA 0.427 56.418 56.100 -0.182 0.000 0.996 344 R CB -0.582 29.402 30.300 -0.525 0.000 0.902 344 R HN 0.413 nan 8.270 nan 0.000 0.449 345 L N 3.307 124.566 121.223 0.061 0.000 2.481 345 L HA 0.330 4.642 4.340 -0.046 0.000 0.255 345 L C -2.475 174.544 176.870 0.248 0.000 1.192 345 L CA -1.772 53.117 54.840 0.081 0.000 0.924 345 L CB 2.314 44.382 42.059 0.016 0.000 1.179 345 L HN -0.177 nan 8.230 nan 0.000 0.491 346 P HA 0.031 nan 4.420 nan 0.000 0.276 346 P C 0.034 177.496 177.300 0.269 0.000 1.235 346 P CA 0.102 63.365 63.100 0.271 0.000 0.772 346 P CB 1.591 33.378 31.700 0.145 0.000 0.871 347 S N 2.320 118.214 115.700 0.323 0.000 2.560 347 S HA 0.213 4.655 4.470 -0.046 0.000 0.284 347 S C 0.017 174.624 174.600 0.012 0.000 1.327 347 S CA 0.275 58.541 58.200 0.111 0.000 1.055 347 S CB -0.393 62.684 63.200 -0.206 0.000 0.868 347 S HN 0.614 nan 8.310 nan 0.000 0.506 348 T N 1.688 116.213 114.554 -0.050 0.000 2.921 348 T HA 0.399 4.722 4.350 -0.046 0.000 0.297 348 T C -0.341 174.293 174.700 -0.112 0.000 1.013 348 T CA -0.659 61.348 62.100 -0.154 0.000 0.990 348 T CB 1.179 69.950 68.868 -0.162 0.000 1.023 348 T HN 0.748 nan 8.240 nan 0.000 0.447 349 D N 2.344 122.658 120.400 -0.145 0.000 2.368 349 D HA 0.054 4.666 4.640 -0.046 0.000 0.218 349 D C 0.460 176.816 176.300 0.094 0.000 1.112 349 D CA -0.105 53.915 54.000 0.033 0.000 0.834 349 D CB -0.225 40.664 40.800 0.150 0.000 0.953 349 D HN 0.805 nan 8.370 nan 0.000 0.505 350 H N -1.283 117.850 119.070 0.104 0.000 2.514 350 H HA 0.301 4.830 4.556 -0.046 0.000 0.226 350 H C -2.374 173.040 175.328 0.142 0.000 1.421 350 H CA -1.412 54.679 56.048 0.072 0.000 1.394 350 H CB 0.922 30.681 29.762 -0.004 0.000 1.701 350 H HN -0.116 nan 8.280 nan 0.000 0.515 351 P HA -0.111 nan 4.420 nan 0.000 0.223 351 P C 1.031 178.468 177.300 0.229 0.000 1.151 351 P CA 0.550 63.803 63.100 0.255 0.000 0.787 351 P CB 0.242 32.172 31.700 0.382 0.000 0.788 352 S N 0.476 116.319 115.700 0.237 0.000 2.552 352 S HA 0.031 4.474 4.470 -0.046 0.000 0.289 352 S C 1.578 176.285 174.600 0.178 0.000 1.304 352 S CA 0.407 58.728 58.200 0.201 0.000 1.063 352 S CB -0.097 63.259 63.200 0.261 0.000 0.848 352 S HN 0.317 nan 8.310 nan 0.000 0.499 353 T N 0.983 115.607 114.554 0.116 0.000 3.051 353 T HA -0.114 4.208 4.350 -0.046 0.000 0.269 353 T C 0.874 175.628 174.700 0.089 0.000 1.127 353 T CA 1.168 63.319 62.100 0.087 0.000 1.107 353 T CB -0.481 68.404 68.868 0.028 0.000 0.898 353 T HN 0.792 nan 8.240 nan 0.000 0.517 354 D N 0.573 121.039 120.400 0.111 0.000 2.340 354 D HA 0.239 4.852 4.640 -0.046 0.000 0.220 354 D C 1.704 178.047 176.300 0.071 0.000 1.039 354 D CA 0.475 54.532 54.000 0.095 0.000 0.866 354 D CB -0.766 40.108 40.800 0.122 0.000 0.913 354 D HN 0.535 nan 8.370 nan 0.000 0.523 355 G N -0.309 108.545 108.800 0.090 0.000 2.205 355 G HA2 -0.315 3.617 3.960 -0.046 0.000 0.261 355 G HA3 -0.315 3.617 3.960 -0.046 0.000 0.261 355 G C 0.167 175.023 174.900 -0.073 0.000 0.980 355 G CA 0.264 45.352 45.100 -0.021 0.000 0.632 355 G HN 0.484 nan 8.290 nan 0.000 0.533 356 Q N -0.202 119.617 119.800 0.032 0.000 2.212 356 Q HA 0.676 4.988 4.340 -0.046 0.000 0.238 356 Q C 0.428 176.396 176.000 -0.053 0.000 0.955 356 Q CA -0.540 55.213 55.803 -0.082 0.000 0.906 356 Q CB 1.095 29.733 28.738 -0.167 0.000 1.215 356 Q HN 0.408 nan 8.270 nan 0.000 0.478 357 R N 0.555 120.893 120.500 -0.271 0.000 2.732 357 R HA 0.542 4.854 4.340 -0.046 0.000 0.278 357 R C -1.222 174.851 176.300 -0.379 0.000 0.976 357 R CA -0.545 55.446 56.100 -0.181 0.000 0.963 357 R CB 1.141 31.238 30.300 -0.339 0.000 1.150 357 R HN 0.510 nan 8.270 nan 0.000 0.478 358 Y N 0.698 120.976 120.300 -0.036 0.000 2.545 358 Y HA 0.248 4.770 4.550 -0.046 0.000 0.348 358 Y C -0.047 175.839 175.900 -0.024 0.000 1.002 358 Y CA -1.167 56.914 58.100 -0.032 0.000 1.039 358 Y CB 1.547 39.982 38.460 -0.042 0.000 1.271 358 Y HN 0.495 nan 8.280 nan 0.000 0.467 359 L N 1.988 123.271 121.223 0.101 0.000 3.601 359 L HA -0.232 4.081 4.340 -0.046 0.000 0.469 359 L C 0.148 177.075 176.870 0.095 0.000 1.294 359 L CA 0.482 55.347 54.840 0.042 0.000 0.829 359 L CB -0.481 41.528 42.059 -0.083 0.000 1.628 359 L HN 0.770 nan 8.230 nan 0.000 0.868 360 E N -0.494 119.760 120.200 0.091 0.000 2.463 360 E HA 0.027 4.350 4.350 -0.046 0.000 0.193 360 E C 1.404 178.099 176.600 0.158 0.000 1.041 360 E CA 0.347 56.840 56.400 0.155 0.000 0.879 360 E CB 0.303 30.078 29.700 0.126 0.000 0.997 360 E HN 0.722 nan 8.360 nan 0.000 0.478 361 Q N 0.327 120.173 119.800 0.076 0.000 2.181 361 Q HA -0.145 4.168 4.340 -0.046 0.000 0.205 361 Q C 2.218 178.157 176.000 -0.102 0.000 0.980 361 Q CA 1.938 57.748 55.803 0.012 0.000 0.862 361 Q CB -0.278 28.466 28.738 0.011 0.000 0.905 361 Q HN 0.255 nan 8.270 nan 0.000 0.429 362 S N -0.586 115.044 115.700 -0.117 0.000 2.406 362 S HA -0.133 4.310 4.470 -0.046 0.000 0.228 362 S C 1.763 176.222 174.600 -0.235 0.000 1.020 362 S CA 0.596 58.576 58.200 -0.366 0.000 0.965 362 S CB -0.517 62.526 63.200 -0.262 0.000 0.798 362 S HN 0.434 nan 8.310 nan 0.000 0.488 363 F N 3.832 123.711 119.950 -0.119 0.000 2.102 363 F HA -0.057 4.443 4.527 -0.046 0.000 0.298 363 F C 2.035 177.732 175.800 -0.171 0.000 1.105 363 F CA 1.799 59.748 58.000 -0.085 0.000 1.239 363 F CB -0.638 38.410 39.000 0.080 0.000 0.991 363 F HN 0.136 nan 8.300 nan 0.000 0.474 364 N N 0.600 119.365 118.700 0.108 0.000 2.120 364 N HA -0.161 4.551 4.740 -0.046 0.000 0.188 364 N C 2.075 177.423 175.510 -0.271 0.000 1.024 364 N CA 1.790 54.832 53.050 -0.013 0.000 0.852 364 N CB -0.852 37.669 38.487 0.058 0.000 1.003 364 N HN 0.279 nan 8.380 nan 0.000 0.424 365 V N 0.838 120.528 119.914 -0.372 0.000 2.261 365 V HA -0.141 3.951 4.120 -0.046 0.000 0.246 365 V C 2.424 178.216 176.094 -0.502 0.000 1.047 365 V CA 1.214 63.217 62.300 -0.495 0.000 1.015 365 V CB -0.532 30.905 31.823 -0.643 0.000 0.642 365 V HN 0.062 nan 8.190 nan 0.000 0.446 366 V N 0.981 120.561 119.914 -0.556 0.000 2.667 366 V HA -0.182 3.911 4.120 -0.046 0.000 0.252 366 V C 2.721 178.319 176.094 -0.825 0.000 1.065 366 V CA 1.885 63.827 62.300 -0.596 0.000 1.083 366 V CB -0.605 30.933 31.823 -0.475 0.000 0.692 366 V HN 0.768 nan 8.190 nan 0.000 0.468 367 S N -0.228 114.890 115.700 -0.970 0.000 2.399 367 S HA -0.277 4.166 4.470 -0.046 0.000 0.231 367 S C 1.907 176.057 174.600 -0.749 0.000 1.022 367 S CA 1.238 58.699 58.200 -1.232 0.000 0.983 367 S CB -0.357 62.175 63.200 -1.114 0.000 0.803 367 S HN 0.533 nan 8.310 nan 0.000 0.480 368 Q N 0.687 120.191 119.800 -0.493 0.000 2.123 368 Q HA 0.168 4.480 4.340 -0.046 0.000 0.199 368 Q C 2.194 178.003 176.000 -0.319 0.000 0.966 368 Q CA 0.871 56.485 55.803 -0.315 0.000 0.845 368 Q CB -0.874 27.724 28.738 -0.232 0.000 0.907 368 Q HN 0.569 nan 8.270 nan 0.000 0.439 369 L N 0.296 121.277 121.223 -0.403 0.000 2.017 369 L HA -0.136 4.176 4.340 -0.046 0.000 0.208 369 L C 2.051 178.675 176.870 -0.410 0.000 1.073 369 L CA 1.549 56.166 54.840 -0.372 0.000 0.745 369 L CB -0.524 41.274 42.059 -0.436 0.000 0.894 369 L HN 0.147 nan 8.230 nan 0.000 0.432 370 L N -1.103 119.738 121.223 -0.637 0.000 2.109 370 L HA -0.168 4.145 4.340 -0.046 0.000 0.207 370 L C 2.506 179.232 176.870 -0.241 0.000 1.086 370 L CA 1.045 55.458 54.840 -0.712 0.000 0.760 370 L CB -0.540 40.727 42.059 -1.320 0.000 0.910 370 L HN 0.209 nan 8.230 nan 0.000 0.437 371 K N 0.251 120.521 120.400 -0.217 0.000 2.147 371 K HA -0.115 4.177 4.320 -0.046 0.000 0.205 371 K C 2.012 178.625 176.600 0.022 0.000 1.049 371 K CA 1.195 57.491 56.287 0.015 0.000 0.936 371 K CB -0.332 32.172 32.500 0.007 0.000 0.722 371 K HN 0.384 nan 8.250 nan 0.000 0.446 372 G N 0.460 109.233 108.800 -0.045 0.000 2.534 372 G HA2 -0.199 3.733 3.960 -0.046 0.000 0.217 372 G HA3 -0.199 3.733 3.960 -0.046 0.000 0.217 372 G C 1.023 175.940 174.900 0.028 0.000 1.128 372 G CA 0.144 45.233 45.100 -0.017 0.000 0.784 372 G HN 0.315 nan 8.290 nan 0.000 0.542 373 Q N -0.579 119.262 119.800 0.068 0.000 2.280 373 Q HA 0.309 4.621 4.340 -0.046 0.000 0.201 373 Q C 1.457 177.623 176.000 0.277 0.000 0.890 373 Q CA 0.187 56.092 55.803 0.170 0.000 0.947 373 Q CB 0.644 29.502 28.738 0.201 0.000 1.081 373 Q HN 0.407 nan 8.270 nan 0.000 0.502 374 G N 0.441 109.374 108.800 0.220 0.000 2.136 374 G HA2 -0.291 3.642 3.960 -0.046 0.000 0.242 374 G HA3 -0.291 3.642 3.960 -0.046 0.000 0.242 374 G C -0.371 174.700 174.900 0.285 0.000 0.989 374 G CA -0.223 44.988 45.100 0.185 0.000 0.682 374 G HN 0.271 nan 8.290 nan 0.000 0.522 375 Y N 0.752 121.179 120.300 0.212 0.000 2.300 375 Y HA 0.523 5.045 4.550 -0.046 0.000 0.328 375 Y C 0.965 177.027 175.900 0.271 0.000 1.270 375 Y CA -0.616 57.656 58.100 0.287 0.000 1.352 375 Y CB 0.707 39.350 38.460 0.305 0.000 1.286 375 Y HN 0.131 nan 8.280 nan 0.000 0.536 376 N N 1.342 120.250 118.700 0.347 0.000 2.314 376 N HA 0.172 4.884 4.740 -0.046 0.000 0.304 376 N C -1.203 174.154 175.510 -0.255 0.000 1.073 376 N CA -0.837 52.279 53.050 0.110 0.000 0.822 376 N CB 1.946 40.462 38.487 0.049 0.000 1.280 376 N HN 0.624 nan 8.380 nan 0.000 0.489 377 Q N 0.724 120.177 119.800 -0.580 0.000 2.299 377 Q HA 0.609 4.921 4.340 -0.046 0.000 0.246 377 Q C -1.219 174.568 176.000 -0.355 0.000 0.935 377 Q CA -0.415 54.801 55.803 -0.978 0.000 0.887 377 Q CB 0.821 29.105 28.738 -0.756 0.000 1.223 377 Q HN 0.740 nan 8.270 nan 0.000 0.439 378 A N 2.070 124.749 122.820 -0.235 0.000 2.609 378 A HA 0.487 4.780 4.320 -0.046 0.000 0.291 378 A C -1.088 176.520 177.584 0.040 0.000 1.096 378 A CA -0.722 51.285 52.037 -0.050 0.000 0.684 378 A CB 1.888 20.886 19.000 -0.005 0.000 1.282 378 A HN 0.634 nan 8.150 nan 0.000 0.412 379 T N 2.853 117.459 114.554 0.086 0.000 2.782 379 T HA 0.231 4.554 4.350 -0.046 0.000 0.298 379 T C 1.715 176.498 174.700 0.139 0.000 0.944 379 T CA -0.297 61.889 62.100 0.144 0.000 1.001 379 T CB -0.341 68.608 68.868 0.136 0.000 0.932 379 T HN 0.430 nan 8.240 nan 0.000 0.524 380 I N 2.788 123.472 120.570 0.190 0.000 2.113 380 I HA -0.202 3.941 4.170 -0.046 0.000 0.242 380 I C 2.073 178.259 176.117 0.115 0.000 1.064 380 I CA 1.475 62.870 61.300 0.159 0.000 1.320 380 I CB -0.739 37.426 38.000 0.275 0.000 1.028 380 I HN 0.552 nan 8.210 nan 0.000 0.406 381 N N 0.910 119.691 118.700 0.135 0.000 2.521 381 N HA -0.108 4.604 4.740 -0.046 0.000 0.188 381 N C 1.163 176.780 175.510 0.179 0.000 1.146 381 N CA 0.532 53.633 53.050 0.085 0.000 0.893 381 N CB -0.176 38.186 38.487 -0.208 0.000 0.975 381 N HN 0.378 nan 8.380 nan 0.000 0.451 382 D N 0.407 120.891 120.400 0.139 0.000 2.183 382 D HA 0.007 4.619 4.640 -0.046 0.000 0.203 382 D C 0.072 176.441 176.300 0.116 0.000 0.969 382 D CA 1.031 55.107 54.000 0.127 0.000 0.842 382 D CB 0.118 40.972 40.800 0.090 0.000 0.957 382 D HN 0.182 nan 8.370 nan 0.000 0.484 383 N N 0.065 118.833 118.700 0.114 0.000 2.750 383 N HA 0.139 4.851 4.740 -0.046 0.000 0.253 383 N C -2.234 173.359 175.510 0.138 0.000 1.408 383 N CA -0.860 52.276 53.050 0.143 0.000 0.780 383 N CB 2.346 40.913 38.487 0.133 0.000 1.191 383 N HN -0.096 nan 8.380 nan 0.000 0.511 384 P HA -0.084 nan 4.420 nan 0.000 0.217 384 P C 1.044 178.293 177.300 -0.085 0.000 1.148 384 P CA 1.118 64.219 63.100 0.002 0.000 0.828 384 P CB 0.414 32.158 31.700 0.074 0.000 0.783 385 N N -1.999 116.680 118.700 -0.036 0.000 2.520 385 N HA -0.098 4.614 4.740 -0.046 0.000 0.185 385 N C -0.169 175.095 175.510 -0.411 0.000 1.068 385 N CA 0.814 53.730 53.050 -0.223 0.000 0.911 385 N CB -0.337 37.994 38.487 -0.259 0.000 0.961 385 N HN 0.305 nan 8.380 nan 0.000 0.446 386 Y N 0.262 120.511 120.300 -0.086 0.000 2.478 386 Y HA 0.301 4.824 4.550 -0.045 0.000 0.329 386 Y C 1.179 177.031 175.900 -0.080 0.000 0.967 386 Y CA -0.491 57.579 58.100 -0.049 0.000 1.255 386 Y CB 1.281 39.731 38.460 -0.017 0.000 1.103 386 Y HN -0.278 nan 8.280 nan 0.000 0.497 387 K N 0.635 121.040 120.400 0.008 0.000 2.474 387 K HA 0.051 4.343 4.320 -0.046 0.000 0.202 387 K C -0.295 176.477 176.600 0.287 0.000 1.248 387 K CA 0.088 56.375 56.287 -0.000 0.000 0.946 387 K CB 0.515 32.797 32.500 -0.364 0.000 1.102 387 K HN 0.565 nan 8.250 nan 0.000 0.541 388 D N 1.058 121.648 120.400 0.316 0.000 2.450 388 D HA -0.035 4.577 4.640 -0.046 0.000 0.247 388 D C -0.352 176.063 176.300 0.191 0.000 1.162 388 D CA 0.638 54.790 54.000 0.255 0.000 0.879 388 D CB 0.179 41.080 40.800 0.168 0.000 1.163 388 D HN 0.190 nan 8.370 nan 0.000 0.472 389 H N 0.358 119.343 119.070 -0.142 0.000 2.862 389 H HA -0.148 4.380 4.556 -0.046 0.000 0.290 389 H C -0.905 174.411 175.328 -0.020 0.000 1.211 389 H CA 0.675 56.390 56.048 -0.556 0.000 1.140 389 H CB -1.402 28.088 29.762 -0.454 0.000 1.341 389 H HN 0.101 nan 8.280 nan 0.000 0.392 390 V N 1.133 121.270 119.914 0.372 0.000 2.555 390 V HA 0.600 4.692 4.120 -0.046 0.000 0.302 390 V C 0.046 176.544 176.094 0.673 0.000 1.038 390 V CA -0.456 62.103 62.300 0.432 0.000 0.887 390 V CB 1.544 33.551 31.823 0.306 0.000 0.991 390 V HN 0.328 nan 8.190 nan 0.000 0.434 391 F N 1.644 121.822 119.950 0.381 0.000 2.620 391 F HA 1.055 5.555 4.527 -0.046 0.000 0.320 391 F C 0.015 175.944 175.800 0.215 0.000 1.069 391 F CA -0.711 57.445 58.000 0.261 0.000 0.953 391 F CB 2.109 41.128 39.000 0.032 0.000 1.322 391 F HN 0.773 nan 8.300 nan 0.000 0.479 392 G N 0.151 109.183 108.800 0.387 0.000 2.523 392 G HA2 0.402 4.335 3.960 -0.046 0.000 0.291 392 G HA3 0.402 4.335 3.960 -0.046 0.000 0.291 392 G C -2.344 172.842 174.900 0.478 0.000 1.450 392 G CA -1.058 44.236 45.100 0.322 0.000 0.790 392 G HN 0.702 nan 8.290 nan 0.000 0.496 393 Y N 1.122 121.714 120.300 0.487 0.000 2.702 393 Y HA 0.279 4.801 4.550 -0.046 0.000 0.336 393 Y C 1.646 177.723 175.900 0.295 0.000 1.235 393 Y CA 0.495 58.781 58.100 0.310 0.000 1.492 393 Y CB 0.586 39.079 38.460 0.055 0.000 1.308 393 Y HN 0.341 nan 8.280 nan 0.000 0.589 394 S N 1.911 117.845 115.700 0.389 0.000 2.563 394 S HA 0.350 4.792 4.470 -0.046 0.000 0.294 394 S C 0.153 174.566 174.600 -0.312 0.000 1.279 394 S CA -0.288 57.954 58.200 0.070 0.000 1.069 394 S CB 0.042 63.205 63.200 -0.061 0.000 0.828 394 S HN 0.726 nan 8.310 nan 0.000 0.497 395 A N 2.995 125.423 122.820 -0.653 0.000 2.325 395 A HA 0.863 5.156 4.320 -0.046 0.000 0.333 395 A C -0.807 176.068 177.584 -1.183 0.000 1.155 395 A CA -0.590 51.016 52.037 -0.720 0.000 0.814 395 A CB 0.488 19.177 19.000 -0.518 0.000 1.206 395 A HN 0.622 nan 8.150 nan 0.000 0.482 396 F N 0.098 119.771 119.950 -0.462 0.000 2.613 396 F HA 0.368 4.867 4.527 -0.046 0.000 0.314 396 F C -0.135 175.309 175.800 -0.593 0.000 1.075 396 F CA -0.889 56.677 58.000 -0.723 0.000 0.945 396 F CB 1.996 40.180 39.000 -1.360 0.000 1.310 396 F HN 0.592 nan 8.300 nan 0.000 0.467 397 D N 0.927 120.989 120.400 -0.562 0.000 2.943 397 D HA 0.188 4.800 4.640 -0.046 0.000 0.249 397 D C -0.799 175.390 176.300 -0.184 0.000 1.231 397 D CA -0.003 53.638 54.000 -0.599 0.000 0.979 397 D CB -0.621 39.472 40.800 -1.179 0.000 1.053 397 D HN -0.038 nan 8.370 nan 0.000 0.504 398 F N 0.108 120.027 119.950 -0.051 0.000 2.440 398 F HA 0.576 5.076 4.527 -0.046 0.000 0.328 398 F C 0.457 176.244 175.800 -0.022 0.000 1.070 398 F CA -1.537 56.441 58.000 -0.037 0.000 1.011 398 F CB 1.256 40.234 39.000 -0.037 0.000 1.226 398 F HN -0.034 nan 8.300 nan 0.000 0.491 399 L N 0.968 122.307 121.223 0.193 0.000 2.431 399 L HA 0.355 4.667 4.340 -0.046 0.000 0.266 399 L C -0.344 176.567 176.870 0.068 0.000 0.978 399 L CA -1.004 53.896 54.840 0.100 0.000 0.822 399 L CB 1.894 43.987 42.059 0.056 0.000 1.310 399 L HN 0.684 nan 8.230 nan 0.000 0.409 400 N N 1.730 120.464 118.700 0.058 0.000 2.721 400 N HA -0.216 4.496 4.740 -0.046 0.000 0.249 400 N C 0.839 176.356 175.510 0.013 0.000 1.072 400 N CA 0.736 53.802 53.050 0.027 0.000 0.710 400 N CB -0.819 37.669 38.487 0.003 0.000 0.993 400 N HN 1.148 nan 8.380 nan 0.000 0.547 401 G N -1.280 107.551 108.800 0.051 0.000 2.153 401 G HA2 -0.381 3.552 3.960 -0.046 0.000 0.252 401 G HA3 -0.381 3.552 3.960 -0.046 0.000 0.252 401 G C -0.063 174.849 174.900 0.021 0.000 0.994 401 G CA 1.071 46.208 45.100 0.061 0.000 0.698 401 G HN 0.554 nan 8.290 nan 0.000 0.521 402 K N -0.910 119.445 120.400 -0.075 0.000 2.443 402 K HA 0.568 4.861 4.320 -0.046 0.000 0.251 402 K C 0.440 176.859 176.600 -0.301 0.000 0.972 402 K CA -1.130 55.065 56.287 -0.154 0.000 0.833 402 K CB 1.781 34.260 32.500 -0.034 0.000 1.317 402 K HN 0.180 nan 8.250 nan 0.000 0.441 403 R N 0.609 120.899 120.500 -0.350 0.000 2.640 403 R HA 0.041 4.353 4.340 -0.046 0.000 0.270 403 R C -0.247 176.088 176.300 0.058 0.000 1.024 403 R CA 0.725 56.751 56.100 -0.124 0.000 1.085 403 R CB 0.505 30.785 30.300 -0.034 0.000 0.963 403 R HN 0.847 nan 8.270 nan 0.000 0.426 404 A N 3.227 126.147 122.820 0.166 0.000 1.857 404 A HA 0.551 4.843 4.320 -0.046 0.000 0.192 404 A C 0.768 178.395 177.584 0.072 0.000 2.203 404 A CA 0.503 52.596 52.037 0.093 0.000 1.377 404 A CB -0.738 18.312 19.000 0.084 0.000 0.976 404 A HN 1.064 nan 8.150 nan 0.000 0.594 405 G N -0.527 108.296 108.800 0.039 0.000 2.692 405 G HA2 -0.157 3.775 3.960 -0.046 0.000 0.248 405 G HA3 -0.157 3.775 3.960 -0.046 0.000 0.248 405 G C -1.567 173.381 174.900 0.080 0.000 1.340 405 G CA 0.131 45.245 45.100 0.024 0.000 0.896 405 G HN 0.378 nan 8.290 nan 0.000 0.570 406 P HA -0.002 nan 4.420 nan 0.000 0.218 406 P C 2.119 179.478 177.300 0.100 0.000 1.148 406 P CA 1.468 64.676 63.100 0.181 0.000 0.822 406 P CB -0.012 31.716 31.700 0.047 0.000 0.784 407 V N 0.121 120.066 119.914 0.051 0.000 2.392 407 V HA -0.243 3.849 4.120 -0.046 0.000 0.249 407 V C 2.220 178.329 176.094 0.025 0.000 1.059 407 V CA 2.327 64.644 62.300 0.027 0.000 1.051 407 V CB -1.573 30.270 31.823 0.033 0.000 0.658 407 V HN 0.131 nan 8.190 nan 0.000 0.455 408 A N -0.715 122.124 122.820 0.033 0.000 2.251 408 A HA 0.112 4.405 4.320 -0.046 0.000 0.209 408 A C 1.919 179.500 177.584 -0.005 0.000 1.187 408 A CA 1.316 53.363 52.037 0.018 0.000 0.823 408 A CB -0.279 18.735 19.000 0.024 0.000 0.846 408 A HN 0.646 nan 8.150 nan 0.000 0.486 409 T N -4.854 109.699 114.554 -0.002 0.000 3.364 409 T HA 0.130 4.453 4.350 -0.046 0.000 0.179 409 T C 1.517 176.170 174.700 -0.078 0.000 0.939 409 T CA 0.552 62.608 62.100 -0.072 0.000 1.094 409 T CB -0.587 68.199 68.868 -0.136 0.000 1.532 409 T HN 0.075 nan 8.240 nan 0.000 0.346 410 Y N 1.648 121.897 120.300 -0.084 0.000 2.151 410 Y HA 0.004 4.527 4.550 -0.045 0.000 0.284 410 Y C 2.557 178.339 175.900 -0.196 0.000 1.166 410 Y CA 1.323 59.348 58.100 -0.125 0.000 1.163 410 Y CB -0.588 37.807 38.460 -0.108 0.000 0.974 410 Y HN 0.208 nan 8.280 nan 0.000 0.511 411 L N -0.017 121.195 121.223 -0.018 0.000 2.083 411 L HA -0.213 4.100 4.340 -0.046 0.000 0.209 411 L C 2.087 178.865 176.870 -0.153 0.000 1.083 411 L CA 1.732 56.472 54.840 -0.167 0.000 0.752 411 L CB -0.655 41.310 42.059 -0.155 0.000 0.899 411 L HN 0.163 nan 8.230 nan 0.000 0.433 412 Q N -0.656 119.096 119.800 -0.080 0.000 2.079 412 Q HA -0.118 4.195 4.340 -0.046 0.000 0.200 412 Q C 2.224 178.177 176.000 -0.078 0.000 0.974 412 Q CA 2.068 57.837 55.803 -0.056 0.000 0.840 412 Q CB -0.964 27.754 28.738 -0.034 0.000 0.898 412 Q HN 0.731 nan 8.270 nan 0.000 0.430 413 T N -1.028 113.464 114.554 -0.105 0.000 2.867 413 T HA 0.060 4.383 4.350 -0.046 0.000 0.268 413 T C 1.972 176.582 174.700 -0.151 0.000 1.057 413 T CA 1.108 63.144 62.100 -0.107 0.000 1.136 413 T CB -0.219 68.582 68.868 -0.111 0.000 0.874 413 T HN 0.232 nan 8.240 nan 0.000 0.466 414 A N 1.889 124.541 122.820 -0.279 0.000 1.877 414 A HA 0.167 4.460 4.320 -0.046 0.000 0.216 414 A C 2.379 179.771 177.584 -0.319 0.000 1.186 414 A CA 1.184 52.888 52.037 -0.555 0.000 0.620 414 A CB -0.989 17.305 19.000 -1.177 0.000 0.822 414 A HN 0.507 nan 8.150 nan 0.000 0.443 415 L N -0.701 120.451 121.223 -0.119 0.000 2.191 415 L HA -0.185 4.128 4.340 -0.046 0.000 0.212 415 L C 2.787 179.747 176.870 0.151 0.000 1.103 415 L CA 0.820 55.779 54.840 0.198 0.000 0.769 415 L CB -0.324 41.831 42.059 0.160 0.000 0.908 415 L HN 0.451 nan 8.230 nan 0.000 0.438 416 A N -0.460 122.393 122.820 0.056 0.000 2.206 416 A HA 0.001 4.293 4.320 -0.046 0.000 0.211 416 A C 1.035 178.658 177.584 0.066 0.000 1.158 416 A CA 0.258 52.325 52.037 0.051 0.000 0.761 416 A CB -0.228 18.781 19.000 0.014 0.000 0.801 416 A HN 0.255 nan 8.150 nan 0.000 0.473 417 R N 0.184 120.740 120.500 0.094 0.000 2.297 417 R HA 0.265 4.578 4.340 -0.046 0.000 0.308 417 R C -1.760 174.626 176.300 0.144 0.000 1.029 417 R CA -1.805 54.356 56.100 0.103 0.000 0.929 417 R CB 0.853 31.210 30.300 0.095 0.000 1.046 417 R HN 0.119 nan 8.270 nan 0.000 0.461 418 P HA -0.139 nan 4.420 nan 0.000 0.223 418 P C 0.084 177.453 177.300 0.116 0.000 1.151 418 P CA 1.150 64.308 63.100 0.096 0.000 0.787 418 P CB 0.194 31.933 31.700 0.065 0.000 0.788 419 N N -0.820 117.962 118.700 0.137 0.000 2.314 419 N HA -0.021 4.691 4.740 -0.046 0.000 0.200 419 N C -0.416 175.242 175.510 0.246 0.000 1.135 419 N CA -0.262 52.882 53.050 0.157 0.000 0.835 419 N CB -0.393 38.172 38.487 0.131 0.000 0.989 419 N HN 0.116 nan 8.380 nan 0.000 0.478 420 F N 1.355 121.358 119.950 0.090 0.000 2.482 420 F HA 0.506 5.005 4.527 -0.046 0.000 0.331 420 F C -0.822 175.043 175.800 0.108 0.000 1.115 420 F CA -0.507 57.546 58.000 0.088 0.000 0.955 420 F CB 1.968 40.995 39.000 0.045 0.000 1.136 420 F HN -0.240 nan 8.300 nan 0.000 0.452 421 T N 6.980 121.094 114.554 -0.732 0.000 2.848 421 T HA 0.438 4.760 4.350 -0.046 0.000 0.285 421 T C -1.841 172.373 174.700 -0.810 0.000 0.995 421 T CA -0.345 61.431 62.100 -0.541 0.000 0.970 421 T CB 1.106 69.873 68.868 -0.169 0.000 0.976 421 T HN 0.396 nan 8.240 nan 0.000 0.441 422 F N 3.758 123.333 119.950 -0.626 0.000 2.477 422 F HA 0.631 5.130 4.527 -0.046 0.000 0.335 422 F C -0.824 174.865 175.800 -0.185 0.000 1.130 422 F CA -1.449 56.327 58.000 -0.375 0.000 0.948 422 F CB 1.138 40.081 39.000 -0.096 0.000 1.154 422 F HN 0.167 nan 8.300 nan 0.000 0.439 423 K N 4.777 124.969 120.400 -0.347 0.000 2.413 423 K HA 0.375 4.667 4.320 -0.046 0.000 0.257 423 K C -0.272 176.004 176.600 -0.540 0.000 0.946 423 K CA -0.449 55.602 56.287 -0.394 0.000 0.823 423 K CB 1.749 34.117 32.500 -0.221 0.000 1.109 423 K HN 0.785 nan 8.250 nan 0.000 0.427 424 T N -1.116 113.107 114.554 -0.552 0.000 2.897 424 T HA 0.312 4.634 4.350 -0.046 0.000 0.278 424 T C 0.456 175.030 174.700 -0.209 0.000 0.981 424 T CA -0.640 61.215 62.100 -0.408 0.000 0.973 424 T CB 0.593 69.225 68.868 -0.392 0.000 1.092 424 T HN 0.572 nan 8.240 nan 0.000 0.543 425 N N -0.810 117.810 118.700 -0.134 0.000 2.721 425 N HA -0.123 4.589 4.740 -0.046 0.000 0.249 425 N C -1.028 174.440 175.510 -0.070 0.000 1.072 425 N CA 0.461 53.463 53.050 -0.080 0.000 0.710 425 N CB -1.424 37.019 38.487 -0.073 0.000 0.993 425 N HN 0.586 nan 8.380 nan 0.000 0.547 426 V N 1.058 120.929 119.914 -0.071 0.000 2.443 426 V HA 0.401 4.494 4.120 -0.046 0.000 0.293 426 V C 0.327 176.404 176.094 -0.028 0.000 1.021 426 V CA -0.502 61.767 62.300 -0.053 0.000 0.848 426 V CB 2.075 33.853 31.823 -0.074 0.000 0.998 426 V HN 0.209 nan 8.190 nan 0.000 0.424 427 M N 5.123 124.716 119.600 -0.012 0.000 2.180 427 M HA 0.570 5.023 4.480 -0.046 0.000 0.350 427 M C -0.951 175.354 176.300 0.008 0.000 1.125 427 M CA -0.455 54.847 55.300 0.003 0.000 1.031 427 M CB 1.545 34.151 32.600 0.009 0.000 1.623 427 M HN 0.458 nan 8.290 nan 0.000 0.451 428 V N 4.729 124.651 119.914 0.013 0.000 2.406 428 V HA 0.167 4.259 4.120 -0.046 0.000 0.272 428 V C 0.827 176.935 176.094 0.023 0.000 1.043 428 V CA 0.110 62.422 62.300 0.019 0.000 0.915 428 V CB 1.045 32.880 31.823 0.019 0.000 0.988 428 V HN 1.115 nan 8.190 nan 0.000 0.466 429 S N 3.786 119.504 115.700 0.030 0.000 2.388 429 S HA 0.074 4.517 4.470 -0.046 0.000 0.223 429 S C 0.601 175.217 174.600 0.027 0.000 1.034 429 S CA 0.336 58.553 58.200 0.028 0.000 0.963 429 S CB -0.061 63.158 63.200 0.032 0.000 0.827 429 S HN 0.894 nan 8.310 nan 0.000 0.481 430 N N 0.205 118.928 118.700 0.038 0.000 2.961 430 N HA 0.312 5.024 4.740 -0.046 0.000 0.245 430 N C -1.122 174.425 175.510 0.062 0.000 1.404 430 N CA -0.532 52.540 53.050 0.038 0.000 0.880 430 N CB 1.724 40.234 38.487 0.037 0.000 1.461 430 N HN 0.219 nan 8.380 nan 0.000 0.510 431 V N -1.620 118.330 119.914 0.059 0.000 2.785 431 V HA 0.663 4.756 4.120 -0.046 0.000 0.300 431 V C 0.049 176.205 176.094 0.103 0.000 1.062 431 V CA -0.562 61.791 62.300 0.087 0.000 1.029 431 V CB 1.150 33.016 31.823 0.072 0.000 1.024 431 V HN 0.431 nan 8.190 nan 0.000 0.477 432 V N 5.513 125.519 119.914 0.153 0.000 2.398 432 V HA 0.698 4.791 4.120 -0.046 0.000 0.286 432 V C 0.237 176.398 176.094 0.111 0.000 1.026 432 V CA -0.526 61.849 62.300 0.126 0.000 0.868 432 V CB 1.094 33.004 31.823 0.144 0.000 0.982 432 V HN 1.197 nan 8.190 nan 0.000 0.443 433 R N 2.524 123.065 120.500 0.068 0.000 2.740 433 R HA 0.564 4.876 4.340 -0.046 0.000 0.273 433 R C -1.211 175.116 176.300 0.046 0.000 0.998 433 R CA -0.849 55.289 56.100 0.063 0.000 0.900 433 R CB 1.779 32.117 30.300 0.063 0.000 1.223 433 R HN 0.505 nan 8.270 nan 0.000 0.466 434 N N 1.265 119.991 118.700 0.042 0.000 2.621 434 N HA 0.267 4.979 4.740 -0.046 0.000 0.237 434 N C 0.469 176.002 175.510 0.038 0.000 0.997 434 N CA 1.042 54.112 53.050 0.032 0.000 0.918 434 N CB 1.056 39.557 38.487 0.024 0.000 1.122 434 N HN 0.976 nan 8.380 nan 0.000 0.510 435 G N 2.922 111.748 108.800 0.045 0.000 2.622 435 G HA2 -0.384 3.548 3.960 -0.046 0.000 0.307 435 G HA3 -0.384 3.548 3.960 -0.046 0.000 0.307 435 G C 0.924 175.852 174.900 0.047 0.000 1.226 435 G CA 0.879 46.007 45.100 0.047 0.000 0.997 435 G HN 1.043 nan 8.290 nan 0.000 0.551 436 S N -0.122 115.601 115.700 0.038 0.000 2.561 436 S HA 0.253 4.696 4.470 -0.046 0.000 0.225 436 S C 1.028 175.644 174.600 0.025 0.000 0.977 436 S CA 1.744 59.963 58.200 0.031 0.000 0.926 436 S CB 0.323 63.539 63.200 0.027 0.000 0.769 436 S HN 0.968 nan 8.310 nan 0.000 0.533 437 Q N 1.234 121.054 119.800 0.034 0.000 2.360 437 Q HA 0.546 4.858 4.340 -0.046 0.000 0.254 437 Q C -1.294 174.737 176.000 0.052 0.000 0.975 437 Q CA -0.565 55.261 55.803 0.039 0.000 0.912 437 Q CB 0.481 29.242 28.738 0.040 0.000 1.212 437 Q HN 0.310 nan 8.270 nan 0.000 0.452 438 I N 5.552 126.156 120.570 0.056 0.000 2.396 438 I HA 0.027 4.170 4.170 -0.046 0.000 0.289 438 I C 0.562 176.743 176.117 0.107 0.000 1.056 438 I CA 0.422 61.770 61.300 0.080 0.000 1.365 438 I CB 0.911 38.955 38.000 0.073 0.000 1.407 438 I HN 0.818 nan 8.210 nan 0.000 0.509 439 L N 5.533 126.846 121.223 0.151 0.000 2.375 439 L HA 0.399 4.712 4.340 -0.046 0.000 0.215 439 L C 1.126 178.178 176.870 0.304 0.000 1.108 439 L CA 0.308 55.279 54.840 0.219 0.000 0.830 439 L CB -0.425 41.770 42.059 0.227 0.000 0.959 439 L HN 0.871 nan 8.230 nan 0.000 0.457 440 G N -0.435 108.531 108.800 0.277 0.000 2.367 440 G HA2 0.293 4.226 3.960 -0.046 0.000 0.272 440 G HA3 0.293 4.226 3.960 -0.046 0.000 0.272 440 G C -1.659 173.341 174.900 0.166 0.000 1.271 440 G CA -0.058 45.119 45.100 0.129 0.000 0.893 440 G HN -0.108 nan 8.290 nan 0.000 0.485 441 V N -2.519 117.415 119.914 0.033 0.000 2.864 441 V HA 0.880 4.972 4.120 -0.046 0.000 0.314 441 V C -0.550 175.629 176.094 0.142 0.000 1.073 441 V CA -0.902 61.449 62.300 0.085 0.000 0.956 441 V CB 1.776 33.612 31.823 0.021 0.000 1.023 441 V HN 1.028 nan 8.190 nan 0.000 0.435 442 Q N 2.696 122.592 119.800 0.161 0.000 2.340 442 Q HA 0.664 4.977 4.340 -0.046 0.000 0.259 442 Q C -0.165 175.885 176.000 0.082 0.000 0.964 442 Q CA 0.221 56.121 55.803 0.162 0.000 0.900 442 Q CB 1.219 30.043 28.738 0.143 0.000 1.228 442 Q HN 1.264 nan 8.270 nan 0.000 0.449 443 T N 0.173 114.766 114.554 0.065 0.000 2.927 443 T HA 0.440 4.763 4.350 -0.046 0.000 0.286 443 T C 0.533 175.252 174.700 0.032 0.000 1.040 443 T CA -0.658 61.461 62.100 0.031 0.000 1.010 443 T CB 0.739 69.609 68.868 0.003 0.000 1.177 443 T HN 0.624 nan 8.240 nan 0.000 0.546 444 N N -0.153 118.557 118.700 0.017 0.000 2.313 444 N HA 0.102 4.814 4.740 -0.046 0.000 0.207 444 N C -0.651 174.862 175.510 0.006 0.000 1.141 444 N CA -0.253 52.805 53.050 0.014 0.000 0.830 444 N CB -0.015 38.477 38.487 0.008 0.000 1.008 444 N HN 0.638 nan 8.380 nan 0.000 0.481 445 D N 1.215 121.618 120.400 0.004 0.000 2.438 445 D HA 0.246 4.858 4.640 -0.046 0.000 0.257 445 D C -1.906 174.398 176.300 0.008 0.000 1.148 445 D CA -1.984 52.014 54.000 -0.003 0.000 0.902 445 D CB 1.828 42.616 40.800 -0.020 0.000 1.062 445 D HN 0.021 nan 8.370 nan 0.000 0.518 446 P HA -0.075 nan 4.420 nan 0.000 0.239 446 P C 0.945 178.257 177.300 0.020 0.000 1.184 446 P CA 0.675 63.790 63.100 0.024 0.000 0.760 446 P CB -0.012 31.701 31.700 0.022 0.000 0.884 447 T N -4.124 110.435 114.554 0.009 0.000 3.107 447 T HA 0.164 4.486 4.350 -0.046 0.000 0.249 447 T C 1.516 176.221 174.700 0.008 0.000 1.096 447 T CA 0.078 62.182 62.100 0.007 0.000 1.012 447 T CB -0.682 68.185 68.868 -0.002 0.000 0.977 447 T HN 0.053 nan 8.240 nan 0.000 0.527 448 L N 0.473 121.700 121.223 0.007 0.000 2.640 448 L HA 0.546 4.858 4.340 -0.046 0.000 0.230 448 L C 1.244 178.124 176.870 0.018 0.000 1.123 448 L CA -0.086 54.759 54.840 0.008 0.000 0.900 448 L CB 0.175 42.226 42.059 -0.014 0.000 1.146 448 L HN 0.587 nan 8.230 nan 0.000 0.484 449 G N -0.419 108.400 108.800 0.032 0.000 2.316 449 G HA2 0.139 4.071 3.960 -0.046 0.000 0.296 449 G HA3 0.139 4.071 3.960 -0.046 0.000 0.296 449 G C -3.117 171.839 174.900 0.094 0.000 1.399 449 G CA -0.812 44.320 45.100 0.054 0.000 0.833 449 G HN -0.342 nan 8.290 nan 0.000 0.565 450 P HA 0.120 nan 4.420 nan 0.000 0.261 450 P C 0.159 177.540 177.300 0.135 0.000 1.203 450 P CA 0.530 63.708 63.100 0.130 0.000 0.767 450 P CB 0.013 31.799 31.700 0.144 0.000 0.785 451 N N 3.288 122.039 118.700 0.085 0.000 2.696 451 N HA -0.227 4.486 4.740 -0.046 0.000 0.249 451 N C 1.082 176.648 175.510 0.094 0.000 1.090 451 N CA 1.775 54.869 53.050 0.073 0.000 0.716 451 N CB -1.632 36.890 38.487 0.058 0.000 1.020 451 N HN 0.825 nan 8.380 nan 0.000 0.548 452 G N -1.854 107.004 108.800 0.096 0.000 2.176 452 G HA2 -0.342 3.590 3.960 -0.046 0.000 0.253 452 G HA3 -0.342 3.590 3.960 -0.046 0.000 0.253 452 G C 0.063 175.039 174.900 0.127 0.000 0.979 452 G CA 0.105 45.257 45.100 0.085 0.000 0.641 452 G HN 0.548 nan 8.290 nan 0.000 0.530 453 F N 2.205 122.169 119.950 0.024 0.000 2.456 453 F HA 0.677 5.177 4.527 -0.046 0.000 0.358 453 F C 0.313 176.139 175.800 0.043 0.000 1.095 453 F CA -1.296 56.722 58.000 0.031 0.000 1.216 453 F CB 0.418 39.435 39.000 0.029 0.000 1.125 453 F HN 0.084 nan 8.300 nan 0.000 0.549 454 I N 8.544 128.622 120.570 -0.821 0.000 2.410 454 I HA 0.328 4.470 4.170 -0.046 0.000 0.286 454 I C -2.423 173.119 176.117 -0.958 0.000 1.009 454 I CA -2.063 58.849 61.300 -0.646 0.000 1.111 454 I CB 1.895 39.743 38.000 -0.253 0.000 1.262 454 I HN 0.425 nan 8.210 nan 0.000 0.443 455 P HA 0.246 nan 4.420 nan 0.000 0.282 455 P C -0.483 176.764 177.300 -0.088 0.000 1.259 455 P CA -0.365 62.502 63.100 -0.388 0.000 0.826 455 P CB 1.798 33.444 31.700 -0.090 0.000 1.064 456 V N -1.247 118.666 119.914 -0.001 0.000 2.863 456 V HA 0.525 4.618 4.120 -0.046 0.000 0.307 456 V C 0.750 176.852 176.094 0.013 0.000 1.061 456 V CA -0.508 61.809 62.300 0.027 0.000 1.024 456 V CB 0.109 31.947 31.823 0.025 0.000 1.049 456 V HN 0.750 nan 8.190 nan 0.000 0.471 457 T N 0.247 114.795 114.554 -0.010 0.000 2.748 457 T HA 0.252 4.574 4.350 -0.046 0.000 0.304 457 T C -1.541 173.156 174.700 -0.005 0.000 1.041 457 T CA -0.457 61.632 62.100 -0.018 0.000 1.033 457 T CB 0.132 68.979 68.868 -0.035 0.000 0.995 457 T HN 0.629 nan 8.240 nan 0.000 0.536 458 P HA -0.059 nan 4.420 nan 0.000 0.216 458 P C 1.066 178.370 177.300 0.007 0.000 1.153 458 P CA 1.346 64.453 63.100 0.011 0.000 0.858 458 P CB 0.057 31.763 31.700 0.010 0.000 0.789 459 K N -0.859 119.536 120.400 -0.009 0.000 2.387 459 K HA 0.200 4.493 4.320 -0.046 0.000 0.198 459 K C 1.228 177.796 176.600 -0.054 0.000 1.022 459 K CA -0.157 56.122 56.287 -0.013 0.000 1.128 459 K CB 0.111 32.605 32.500 -0.010 0.000 0.853 459 K HN 0.111 nan 8.250 nan 0.000 0.523 460 G N 1.393 110.150 108.800 -0.072 0.000 2.667 460 G HA2 0.149 4.081 3.960 -0.046 0.000 0.250 460 G HA3 0.149 4.081 3.960 -0.046 0.000 0.250 460 G C -0.379 174.453 174.900 -0.115 0.000 1.212 460 G CA -0.335 44.673 45.100 -0.153 0.000 0.874 460 G HN 0.194 nan 8.290 nan 0.000 0.561 461 R N -1.338 119.037 120.500 -0.209 0.000 2.725 461 R HA 0.528 4.841 4.340 -0.046 0.000 0.277 461 R C -1.476 174.882 176.300 0.097 0.000 0.987 461 R CA -0.825 55.269 56.100 -0.012 0.000 0.901 461 R CB 2.669 32.948 30.300 -0.036 0.000 1.207 461 R HN 0.334 nan 8.270 nan 0.000 0.463 462 V N 3.631 123.679 119.914 0.222 0.000 2.417 462 V HA 0.484 4.577 4.120 -0.046 0.000 0.291 462 V C -0.222 176.050 176.094 0.297 0.000 1.024 462 V CA -0.625 61.797 62.300 0.205 0.000 0.861 462 V CB 1.725 33.628 31.823 0.134 0.000 0.985 462 V HN 0.568 nan 8.190 nan 0.000 0.436 463 I N 5.679 126.398 120.570 0.248 0.000 2.362 463 I HA 0.423 4.565 4.170 -0.046 0.000 0.289 463 I C -0.572 175.631 176.117 0.143 0.000 0.994 463 I CA -0.469 60.968 61.300 0.230 0.000 1.158 463 I CB 1.642 39.750 38.000 0.180 0.000 1.315 463 I HN 0.345 nan 8.210 nan 0.000 0.451 464 L N 5.920 127.215 121.223 0.120 0.000 2.264 464 L HA 0.385 4.697 4.340 -0.046 0.000 0.289 464 L C 0.321 177.230 176.870 0.065 0.000 1.044 464 L CA 0.005 54.888 54.840 0.071 0.000 0.807 464 L CB 1.162 43.242 42.059 0.034 0.000 1.192 464 L HN 0.595 nan 8.230 nan 0.000 0.425 465 S N 1.678 117.414 115.700 0.060 0.000 2.794 465 S HA 0.234 4.677 4.470 -0.046 0.000 0.244 465 S C 0.883 175.521 174.600 0.062 0.000 1.045 465 S CA -0.212 58.024 58.200 0.059 0.000 1.114 465 S CB 1.139 64.375 63.200 0.059 0.000 1.085 465 S HN 0.722 nan 8.310 nan 0.000 0.488 466 A N 1.331 124.182 122.820 0.051 0.000 2.307 466 A HA 0.659 4.952 4.320 -0.046 0.000 0.218 466 A C 1.176 178.805 177.584 0.074 0.000 1.228 466 A CA 0.300 52.373 52.037 0.059 0.000 0.857 466 A CB -0.560 18.462 19.000 0.038 0.000 0.897 466 A HN 1.081 nan 8.150 nan 0.000 0.495 467 G N -2.560 106.284 108.800 0.073 0.000 2.699 467 G HA2 0.255 4.187 3.960 -0.046 0.000 0.686 467 G HA3 0.255 4.187 3.960 -0.046 0.000 0.686 467 G C 0.787 175.717 174.900 0.050 0.000 1.301 467 G CA -0.260 44.903 45.100 0.106 0.000 0.816 467 G HN 1.299 nan 8.290 nan 0.000 0.595 468 A N -0.306 122.539 122.820 0.042 0.000 1.917 468 A HA 0.177 4.469 4.320 -0.046 0.000 0.219 468 A C 2.124 179.513 177.584 -0.325 0.000 1.182 468 A CA 2.710 54.652 52.037 -0.159 0.000 0.633 468 A CB -0.392 18.490 19.000 -0.197 0.000 0.819 468 A HN 1.053 nan 8.150 nan 0.000 0.448 469 F N -0.456 119.421 119.950 -0.122 0.000 2.317 469 F HA 0.164 4.664 4.527 -0.046 0.000 0.293 469 F C 2.614 178.342 175.800 -0.120 0.000 1.085 469 F CA 0.654 58.562 58.000 -0.153 0.000 1.390 469 F CB -0.735 38.162 39.000 -0.172 0.000 1.077 469 F HN 0.264 nan 8.300 nan 0.000 0.517 470 G N -0.569 108.293 108.800 0.104 0.000 2.404 470 G HA2 -0.191 3.741 3.960 -0.046 0.000 0.215 470 G HA3 -0.191 3.741 3.960 -0.046 0.000 0.215 470 G C 1.721 176.596 174.900 -0.042 0.000 1.174 470 G CA 1.528 46.653 45.100 0.040 0.000 0.780 470 G HN 0.254 nan 8.290 nan 0.000 0.537 471 T N 1.419 115.931 114.554 -0.069 0.000 2.777 471 T HA -0.123 4.200 4.350 -0.046 0.000 0.266 471 T C 2.934 177.487 174.700 -0.244 0.000 1.040 471 T CA 1.847 63.880 62.100 -0.112 0.000 1.141 471 T CB -0.345 68.474 68.868 -0.082 0.000 0.868 471 T HN 0.513 nan 8.240 nan 0.000 0.444 472 S N 2.055 117.549 115.700 -0.342 0.000 2.368 472 S HA -0.173 4.269 4.470 -0.046 0.000 0.225 472 S C 2.062 176.033 174.600 -1.048 0.000 1.030 472 S CA 1.168 58.952 58.200 -0.692 0.000 0.999 472 S CB -0.449 62.385 63.200 -0.610 0.000 0.844 472 S HN 0.480 nan 8.310 nan 0.000 0.459 473 R N 1.159 121.344 120.500 -0.525 0.000 2.081 473 R HA 0.041 4.354 4.340 -0.046 0.000 0.235 473 R C 2.296 178.491 176.300 -0.175 0.000 1.131 473 R CA 1.632 57.577 56.100 -0.259 0.000 0.960 473 R CB -0.512 29.767 30.300 -0.035 0.000 0.856 473 R HN 0.507 nan 8.270 nan 0.000 0.436 474 I N 0.798 121.275 120.570 -0.156 0.000 2.226 474 I HA -0.306 3.836 4.170 -0.046 0.000 0.245 474 I C 2.168 178.224 176.117 -0.101 0.000 1.100 474 I CA 1.191 62.441 61.300 -0.084 0.000 1.374 474 I CB -0.151 37.817 38.000 -0.053 0.000 1.057 474 I HN 0.250 nan 8.210 nan 0.000 0.413 475 L N -0.557 120.547 121.223 -0.197 0.000 2.046 475 L HA -0.214 4.099 4.340 -0.046 0.000 0.208 475 L C 2.507 179.346 176.870 -0.052 0.000 1.077 475 L CA 1.265 56.017 54.840 -0.147 0.000 0.747 475 L CB -0.588 41.343 42.059 -0.213 0.000 0.896 475 L HN 0.120 nan 8.230 nan 0.000 0.432 476 F N 0.317 120.209 119.950 -0.097 0.000 2.095 476 F HA -0.247 4.253 4.527 -0.045 0.000 0.298 476 F C 2.628 178.323 175.800 -0.174 0.000 1.104 476 F CA 1.048 58.958 58.000 -0.148 0.000 1.232 476 F CB -1.166 37.758 39.000 -0.127 0.000 0.987 476 F HN 0.141 nan 8.300 nan 0.000 0.475 477 Q N -0.690 119.151 119.800 0.069 0.000 2.500 477 Q HA -0.057 4.256 4.340 -0.046 0.000 0.213 477 Q C 1.328 177.318 176.000 -0.016 0.000 0.974 477 Q CA 1.040 56.847 55.803 0.008 0.000 0.918 477 Q CB -0.235 28.516 28.738 0.022 0.000 0.980 477 Q HN 0.248 nan 8.270 nan 0.000 0.505 478 S N -0.916 114.770 115.700 -0.024 0.000 2.593 478 S HA 0.233 4.675 4.470 -0.046 0.000 0.236 478 S C 0.731 175.307 174.600 -0.040 0.000 0.991 478 S CA 0.280 58.473 58.200 -0.012 0.000 0.963 478 S CB 1.181 64.383 63.200 0.003 0.000 0.865 478 S HN 0.550 nan 8.310 nan 0.000 0.488 479 G N 2.229 110.934 108.800 -0.159 0.000 2.246 479 G HA2 -0.244 3.688 3.960 -0.046 0.000 0.273 479 G HA3 -0.244 3.688 3.960 -0.046 0.000 0.273 479 G C -0.195 174.632 174.900 -0.123 0.000 1.055 479 G CA -0.005 44.891 45.100 -0.340 0.000 0.851 479 G HN 0.538 nan 8.290 nan 0.000 0.500 480 I N 0.061 120.600 120.570 -0.052 0.000 2.447 480 I HA 0.685 4.827 4.170 -0.046 0.000 0.287 480 I C 0.663 176.833 176.117 0.089 0.000 1.023 480 I CA -0.012 61.303 61.300 0.025 0.000 1.083 480 I CB 1.676 39.688 38.000 0.019 0.000 1.245 480 I HN 0.740 nan 8.210 nan 0.000 0.434 481 G N 6.606 115.465 108.800 0.097 0.000 2.325 481 G HA2 0.061 3.993 3.960 -0.046 0.000 0.285 481 G HA3 0.061 3.993 3.960 -0.046 0.000 0.285 481 G C -3.398 171.539 174.900 0.061 0.000 1.303 481 G CA -0.971 44.222 45.100 0.155 0.000 0.970 481 G HN 0.282 nan 8.290 nan 0.000 0.490 482 P HA 0.274 nan 4.420 nan 0.000 0.268 482 P C 1.086 178.340 177.300 -0.077 0.000 1.205 482 P CA 0.347 63.428 63.100 -0.032 0.000 0.771 482 P CB 0.686 32.347 31.700 -0.065 0.000 0.858 483 T N 0.976 115.526 114.554 -0.007 0.000 2.720 483 T HA -0.195 4.128 4.350 -0.046 0.000 0.268 483 T C 1.274 175.942 174.700 -0.052 0.000 1.037 483 T CA 2.058 64.180 62.100 0.037 0.000 1.144 483 T CB -0.855 68.085 68.868 0.118 0.000 0.864 483 T HN 0.633 nan 8.240 nan 0.000 0.444 484 D N 1.390 121.739 120.400 -0.084 0.000 2.149 484 D HA -0.153 4.460 4.640 -0.046 0.000 0.198 484 D C 1.910 178.077 176.300 -0.222 0.000 0.990 484 D CA 1.164 55.093 54.000 -0.118 0.000 0.839 484 D CB -0.471 40.269 40.800 -0.099 0.000 0.948 484 D HN 0.249 nan 8.370 nan 0.000 0.460 485 M N 0.159 119.536 119.600 -0.371 0.000 2.123 485 M HA 0.064 4.517 4.480 -0.046 0.000 0.263 485 M C 2.644 178.626 176.300 -0.530 0.000 1.069 485 M CA 0.725 55.630 55.300 -0.658 0.000 1.133 485 M CB -0.696 31.071 32.600 -1.388 0.000 1.356 485 M HN 0.100 nan 8.290 nan 0.000 0.415 486 I N -0.049 120.242 120.570 -0.464 0.000 2.226 486 I HA -0.315 3.828 4.170 -0.046 0.000 0.245 486 I C 2.438 178.300 176.117 -0.425 0.000 1.100 486 I CA 1.224 62.189 61.300 -0.558 0.000 1.374 486 I CB -0.549 36.849 38.000 -1.004 0.000 1.057 486 I HN 0.403 nan 8.210 nan 0.000 0.413 487 Q N 0.150 119.810 119.800 -0.234 0.000 2.170 487 Q HA -0.157 4.156 4.340 -0.046 0.000 0.203 487 Q C 2.231 178.187 176.000 -0.073 0.000 0.976 487 Q CA 1.870 57.642 55.803 -0.051 0.000 0.858 487 Q CB -0.196 28.560 28.738 0.029 0.000 0.907 487 Q HN 0.518 nan 8.270 nan 0.000 0.433 488 T N 0.501 114.975 114.554 -0.133 0.000 2.708 488 T HA -0.127 4.195 4.350 -0.046 0.000 0.266 488 T C 2.037 176.686 174.700 -0.085 0.000 1.037 488 T CA 1.338 63.372 62.100 -0.110 0.000 1.146 488 T CB -0.278 68.496 68.868 -0.156 0.000 0.865 488 T HN 0.059 nan 8.240 nan 0.000 0.435 489 V N 1.583 121.428 119.914 -0.114 0.000 2.282 489 V HA -0.266 3.826 4.120 -0.046 0.000 0.249 489 V C 2.603 178.672 176.094 -0.041 0.000 1.057 489 V CA 2.008 64.265 62.300 -0.071 0.000 1.032 489 V CB -0.732 31.036 31.823 -0.092 0.000 0.645 489 V HN 0.501 nan 8.190 nan 0.000 0.447 490 Q N 0.253 120.030 119.800 -0.040 0.000 2.291 490 Q HA -0.200 4.112 4.340 -0.046 0.000 0.206 490 Q C 2.246 178.264 176.000 0.031 0.000 0.976 490 Q CA 1.661 57.485 55.803 0.034 0.000 0.875 490 Q CB -0.147 28.659 28.738 0.113 0.000 0.927 490 Q HN 0.831 nan 8.270 nan 0.000 0.450 491 S N -0.076 115.629 115.700 0.008 0.000 2.481 491 S HA -0.072 4.371 4.470 -0.046 0.000 0.231 491 S C 0.730 175.334 174.600 0.006 0.000 0.996 491 S CA 0.204 58.408 58.200 0.007 0.000 0.942 491 S CB -0.071 63.126 63.200 -0.005 0.000 0.768 491 S HN 0.293 nan 8.310 nan 0.000 0.520 492 N N 2.304 121.007 118.700 0.004 0.000 2.439 492 N HA 0.287 5.000 4.740 -0.046 0.000 0.249 492 N C -2.338 173.180 175.510 0.014 0.000 1.003 492 N CA -1.966 51.087 53.050 0.006 0.000 0.942 492 N CB 1.709 40.199 38.487 0.004 0.000 1.115 492 N HN -0.025 nan 8.380 nan 0.000 0.505 493 P HA -0.079 nan 4.420 nan 0.000 0.216 493 P C 1.044 178.356 177.300 0.020 0.000 1.150 493 P CA 1.397 64.508 63.100 0.019 0.000 0.837 493 P CB 0.338 32.047 31.700 0.015 0.000 0.786 494 T N -0.556 114.008 114.554 0.017 0.000 2.701 494 T HA -0.119 4.204 4.350 -0.046 0.000 0.263 494 T C 1.930 176.642 174.700 0.021 0.000 1.040 494 T CA 1.694 63.804 62.100 0.018 0.000 1.147 494 T CB -0.997 67.880 68.868 0.015 0.000 0.865 494 T HN 0.043 nan 8.240 nan 0.000 0.426 495 A N 1.450 124.282 122.820 0.019 0.000 1.933 495 A HA 0.176 4.468 4.320 -0.046 0.000 0.218 495 A C 2.647 180.245 177.584 0.025 0.000 1.175 495 A CA 1.790 53.838 52.037 0.019 0.000 0.628 495 A CB -1.109 17.898 19.000 0.012 0.000 0.814 495 A HN 0.499 nan 8.150 nan 0.000 0.444 496 A N 0.096 122.935 122.820 0.031 0.000 1.917 496 A HA 0.051 4.344 4.320 -0.046 0.000 0.219 496 A C 2.481 180.104 177.584 0.063 0.000 1.182 496 A CA 2.281 54.350 52.037 0.054 0.000 0.633 496 A CB -1.062 17.972 19.000 0.057 0.000 0.819 496 A HN 1.169 nan 8.150 nan 0.000 0.448 497 A N -0.682 122.165 122.820 0.045 0.000 2.019 497 A HA 0.200 4.493 4.320 -0.046 0.000 0.219 497 A C 2.228 179.836 177.584 0.041 0.000 1.164 497 A CA 1.892 53.953 52.037 0.040 0.000 0.644 497 A CB -0.640 18.377 19.000 0.027 0.000 0.805 497 A HN 1.140 nan 8.150 nan 0.000 0.449 498 A N -1.074 121.770 122.820 0.041 0.000 2.238 498 A HA 0.487 4.780 4.320 -0.046 0.000 0.210 498 A C 0.838 178.454 177.584 0.054 0.000 1.179 498 A CA -0.283 51.778 52.037 0.039 0.000 0.827 498 A CB -0.226 18.795 19.000 0.034 0.000 0.856 498 A HN 0.414 nan 8.150 nan 0.000 0.488 499 L N 0.781 122.049 121.223 0.075 0.000 2.452 499 L HA 0.240 4.553 4.340 -0.046 0.000 0.267 499 L C -2.099 174.874 176.870 0.171 0.000 1.188 499 L CA -1.849 53.059 54.840 0.113 0.000 0.821 499 L CB 0.327 42.484 42.059 0.163 0.000 1.102 499 L HN 0.078 nan 8.230 nan 0.000 0.470 500 P HA 0.145 nan 4.420 nan 0.000 0.272 500 P C -2.504 174.976 177.300 0.300 0.000 1.240 500 P CA -1.065 62.172 63.100 0.228 0.000 0.791 500 P CB -0.205 31.647 31.700 0.253 0.000 0.978 501 P HA -0.037 nan 4.420 nan 0.000 0.268 501 P C 0.632 177.777 177.300 -0.259 0.000 1.208 501 P CA 0.126 63.221 63.100 -0.007 0.000 0.777 501 P CB 0.632 32.305 31.700 -0.044 0.000 0.875 502 Q N 2.331 121.735 119.800 -0.660 0.000 2.181 502 Q HA -0.226 4.086 4.340 -0.046 0.000 0.205 502 Q C 1.716 177.202 176.000 -0.857 0.000 0.980 502 Q CA 1.803 56.639 55.803 -1.612 0.000 0.862 502 Q CB -0.282 27.645 28.738 -1.352 0.000 0.905 502 Q HN 0.486 nan 8.270 nan 0.000 0.429 503 N N -0.340 118.111 118.700 -0.416 0.000 2.520 503 N HA -0.191 4.521 4.740 -0.046 0.000 0.185 503 N C 0.829 176.275 175.510 -0.106 0.000 1.068 503 N CA 1.082 54.002 53.050 -0.218 0.000 0.911 503 N CB 0.001 38.403 38.487 -0.141 0.000 0.961 503 N HN 0.443 nan 8.380 nan 0.000 0.446 504 Q N -0.963 118.800 119.800 -0.062 0.000 2.282 504 Q HA 0.110 4.422 4.340 -0.046 0.000 0.206 504 Q C -0.511 175.622 176.000 0.221 0.000 0.878 504 Q CA -0.487 55.358 55.803 0.072 0.000 0.944 504 Q CB 0.255 29.048 28.738 0.091 0.000 1.100 504 Q HN 0.270 nan 8.270 nan 0.000 0.509 505 W N 1.378 122.687 121.300 0.014 0.000 2.193 505 W HA 0.152 4.806 4.660 -0.009 0.000 0.338 505 W C 0.160 176.692 176.519 0.021 0.000 1.310 505 W CA -0.684 56.672 57.345 0.020 0.000 1.243 505 W CB -0.027 29.442 29.460 0.016 0.000 1.165 505 W HN -0.005 nan 8.180 nan 0.000 0.566 506 I N 3.955 124.667 120.570 0.236 0.000 2.330 506 I HA 0.029 4.171 4.170 -0.046 0.000 0.289 506 I C 0.291 176.484 176.117 0.127 0.000 1.001 506 I CA -0.808 60.579 61.300 0.146 0.000 1.193 506 I CB 0.787 38.852 38.000 0.108 0.000 1.345 506 I HN 0.214 nan 8.210 nan 0.000 0.461 507 N N 8.639 127.406 118.700 0.111 0.000 2.402 507 N HA 0.409 5.121 4.740 -0.046 0.000 0.252 507 N C -1.323 174.223 175.510 0.061 0.000 1.118 507 N CA 0.197 53.298 53.050 0.085 0.000 0.945 507 N CB 0.324 38.855 38.487 0.073 0.000 1.147 507 N HN 0.492 nan 8.380 nan 0.000 0.495 508 L N 3.892 125.155 121.223 0.067 0.000 2.371 508 L HA 0.564 4.877 4.340 -0.046 0.000 0.262 508 L C -1.948 174.955 176.870 0.055 0.000 1.006 508 L CA -2.061 52.817 54.840 0.064 0.000 0.818 508 L CB 2.880 44.996 42.059 0.094 0.000 1.354 508 L HN 0.371 nan 8.230 nan 0.000 0.415 509 P HA 0.051 nan 4.420 nan 0.000 0.228 509 P C -0.254 177.064 177.300 0.031 0.000 1.748 509 P CA -0.053 63.061 63.100 0.023 0.000 0.909 509 P CB -0.215 31.484 31.700 -0.003 0.000 1.882 510 V N 1.025 120.982 119.914 0.072 0.000 2.446 510 V HA 0.306 4.399 4.120 -0.046 0.000 0.276 510 V C 1.797 177.968 176.094 0.129 0.000 1.030 510 V CA 1.437 63.777 62.300 0.067 0.000 1.033 510 V CB -0.183 31.688 31.823 0.080 0.000 0.993 510 V HN 0.662 nan 8.190 nan 0.000 0.477 511 G N 4.411 113.216 108.800 0.007 0.000 2.241 511 G HA2 -0.203 3.729 3.960 -0.046 0.000 0.244 511 G HA3 -0.203 3.729 3.960 -0.046 0.000 0.244 511 G C 0.233 175.111 174.900 -0.037 0.000 0.998 511 G CA -0.049 45.042 45.100 -0.014 0.000 0.621 511 G HN 0.461 nan 8.290 nan 0.000 0.519 512 M N 0.440 120.027 119.600 -0.022 0.000 2.202 512 M HA 0.339 4.792 4.480 -0.046 0.000 0.316 512 M C 1.393 177.655 176.300 -0.063 0.000 1.138 512 M CA 0.265 55.541 55.300 -0.040 0.000 1.151 512 M CB -0.109 32.473 32.600 -0.030 0.000 1.422 512 M HN 0.351 nan 8.290 nan 0.000 0.471 513 N N -1.978 116.679 118.700 -0.072 0.000 2.878 513 N HA -0.135 4.577 4.740 -0.046 0.000 0.247 513 N C -0.321 175.127 175.510 -0.103 0.000 1.021 513 N CA 0.889 53.885 53.050 -0.091 0.000 0.873 513 N CB -1.602 36.830 38.487 -0.093 0.000 1.128 513 N HN 0.824 nan 8.380 nan 0.000 0.571 514 A N 0.727 123.497 122.820 -0.083 0.000 2.520 514 A HA 0.279 4.572 4.320 -0.046 0.000 0.245 514 A C 0.535 178.076 177.584 -0.072 0.000 1.072 514 A CA 0.588 52.599 52.037 -0.043 0.000 0.761 514 A CB 0.405 19.408 19.000 0.005 0.000 1.004 514 A HN 0.319 nan 8.150 nan 0.000 0.499 515 Q N 0.823 120.575 119.800 -0.080 0.000 2.347 515 Q HA 0.517 4.830 4.340 -0.046 0.000 0.271 515 Q C -1.851 174.007 176.000 -0.237 0.000 1.064 515 Q CA -0.584 55.102 55.803 -0.196 0.000 0.800 515 Q CB 2.034 30.611 28.738 -0.269 0.000 1.304 515 Q HN 0.857 nan 8.270 nan 0.000 0.438 516 D N 1.286 121.476 120.400 -0.351 0.000 2.661 516 D HA 0.306 4.919 4.640 -0.046 0.000 0.228 516 D C -1.395 174.864 176.300 -0.068 0.000 1.183 516 D CA -0.514 53.266 54.000 -0.367 0.000 0.844 516 D CB 1.413 41.703 40.800 -0.850 0.000 1.555 516 D HN 0.513 nan 8.370 nan 0.000 0.453 517 N N 2.492 121.229 118.700 0.062 0.000 2.483 517 N HA 0.269 4.982 4.740 -0.046 0.000 0.264 517 N C -2.274 173.405 175.510 0.282 0.000 1.197 517 N CA -0.698 52.461 53.050 0.181 0.000 0.927 517 N CB 0.582 39.227 38.487 0.263 0.000 1.065 517 N HN 0.253 nan 8.380 nan 0.000 0.461 518 P HA 0.086 nan 4.420 nan 0.000 0.275 518 P C -0.896 176.397 177.300 -0.012 0.000 1.228 518 P CA -0.285 62.898 63.100 0.138 0.000 0.786 518 P CB 0.928 32.683 31.700 0.090 0.000 0.927 519 S N 2.303 117.870 115.700 -0.222 0.000 2.564 519 S HA 0.732 5.175 4.470 -0.046 0.000 0.274 519 S C -0.988 173.315 174.600 -0.494 0.000 1.124 519 S CA -0.779 57.196 58.200 -0.374 0.000 0.869 519 S CB 1.268 64.215 63.200 -0.422 0.000 1.105 519 S HN 0.227 nan 8.310 nan 0.000 0.472 520 I N 2.198 122.476 120.570 -0.488 0.000 2.512 520 I HA 0.350 4.493 4.170 -0.046 0.000 0.287 520 I C -0.781 175.210 176.117 -0.210 0.000 1.069 520 I CA -0.588 60.403 61.300 -0.514 0.000 1.056 520 I CB 1.521 39.239 38.000 -0.471 0.000 1.229 520 I HN 0.819 nan 8.210 nan 0.000 0.429 521 N N 6.494 125.200 118.700 0.010 0.000 2.472 521 N HA 0.543 5.256 4.740 -0.046 0.000 0.277 521 N C -0.938 174.632 175.510 0.101 0.000 1.081 521 N CA -0.366 52.715 53.050 0.051 0.000 0.973 521 N CB 1.432 39.965 38.487 0.077 0.000 1.105 521 N HN 0.383 nan 8.380 nan 0.000 0.470 522 L N 2.546 123.761 121.223 -0.013 0.000 2.333 522 L HA 0.561 4.873 4.340 -0.046 0.000 0.280 522 L C -0.805 175.848 176.870 -0.361 0.000 1.004 522 L CA -1.042 53.669 54.840 -0.215 0.000 0.820 522 L CB 1.662 43.642 42.059 -0.131 0.000 1.247 522 L HN 0.214 nan 8.230 nan 0.000 0.416 523 V N 3.175 122.716 119.914 -0.622 0.000 2.495 523 V HA 0.547 4.640 4.120 -0.046 0.000 0.298 523 V C -0.552 175.018 176.094 -0.874 0.000 1.031 523 V CA -0.463 61.508 62.300 -0.549 0.000 0.871 523 V CB 1.637 33.249 31.823 -0.353 0.000 0.988 523 V HN 0.411 nan 8.190 nan 0.000 0.432 524 F N 1.223 120.844 119.950 -0.549 0.000 2.611 524 F HA 0.798 5.297 4.527 -0.046 0.000 0.324 524 F C 0.454 176.055 175.800 -0.332 0.000 1.061 524 F CA -0.705 56.977 58.000 -0.531 0.000 0.954 524 F CB 2.383 40.871 39.000 -0.853 0.000 1.301 524 F HN 0.524 nan 8.300 nan 0.000 0.482 525 T N -1.997 112.632 114.554 0.125 0.000 2.908 525 T HA 0.573 4.896 4.350 -0.046 0.000 0.290 525 T C -1.517 173.410 174.700 0.377 0.000 1.034 525 T CA -0.618 61.633 62.100 0.251 0.000 1.010 525 T CB 2.059 71.032 68.868 0.174 0.000 1.068 525 T HN 0.821 nan 8.240 nan 0.000 0.481 526 H N 1.230 120.469 119.070 0.281 0.000 3.086 526 H HA 0.285 4.814 4.556 -0.046 0.000 0.353 526 H C -2.788 172.619 175.328 0.131 0.000 1.134 526 H CA -1.553 54.610 56.048 0.192 0.000 1.248 526 H CB 2.642 32.518 29.762 0.191 0.000 1.878 526 H HN 0.338 nan 8.280 nan 0.000 0.527 527 P HA -0.143 nan 4.420 nan 0.000 0.221 527 P C 1.209 178.539 177.300 0.050 0.000 1.145 527 P CA 1.732 64.770 63.100 -0.104 0.000 0.795 527 P CB 0.238 31.823 31.700 -0.193 0.000 0.775 528 S N -2.171 113.676 115.700 0.244 0.000 2.528 528 S HA 0.037 4.480 4.470 -0.046 0.000 0.219 528 S C 0.986 175.680 174.600 0.157 0.000 0.985 528 S CA -0.032 58.300 58.200 0.221 0.000 0.914 528 S CB -0.673 62.688 63.200 0.267 0.000 0.776 528 S HN -0.102 nan 8.310 nan 0.000 0.526 529 I N 3.235 123.917 120.570 0.186 0.000 2.634 529 I HA 0.269 4.411 4.170 -0.046 0.000 0.284 529 I C -0.040 176.147 176.117 0.117 0.000 1.124 529 I CA 0.037 61.417 61.300 0.134 0.000 1.417 529 I CB 0.437 38.570 38.000 0.222 0.000 1.396 529 I HN 0.209 nan 8.210 nan 0.000 0.571 530 D N 5.071 125.529 120.400 0.098 0.000 2.464 530 D HA 0.417 5.029 4.640 -0.046 0.000 0.243 530 D C 0.583 176.942 176.300 0.098 0.000 1.104 530 D CA -0.476 53.577 54.000 0.088 0.000 0.883 530 D CB 1.433 42.281 40.800 0.079 0.000 1.050 530 D HN 0.582 nan 8.370 nan 0.000 0.524 531 A N 3.553 126.433 122.820 0.100 0.000 2.239 531 A HA -0.076 4.217 4.320 -0.046 0.000 0.209 531 A C 0.801 178.375 177.584 -0.017 0.000 1.171 531 A CA 0.021 52.117 52.037 0.100 0.000 0.768 531 A CB -0.749 18.331 19.000 0.132 0.000 0.790 531 A HN 0.693 nan 8.150 nan 0.000 0.478 532 Y N -0.538 119.618 120.300 -0.240 0.000 3.305 532 Y HA -0.274 4.248 4.550 -0.046 0.000 0.212 532 Y C 0.326 176.002 175.900 -0.373 0.000 1.248 532 Y CA 0.815 58.659 58.100 -0.426 0.000 1.359 532 Y CB -2.208 35.744 38.460 -0.846 0.000 1.407 532 Y HN 0.689 nan 8.280 nan 0.000 0.572 533 E N -0.966 119.090 120.200 -0.240 0.000 2.539 533 E HA -0.332 3.990 4.350 -0.046 0.000 0.253 533 E C 0.524 177.099 176.600 -0.041 0.000 1.145 533 E CA 1.286 57.600 56.400 -0.143 0.000 0.738 533 E CB -1.561 28.025 29.700 -0.190 0.000 1.308 533 E HN 0.643 nan 8.360 nan 0.000 0.409 534 N N -1.596 117.097 118.700 -0.011 0.000 2.696 534 N HA -0.278 4.435 4.740 -0.046 0.000 0.249 534 N C -0.568 175.140 175.510 0.331 0.000 1.090 534 N CA 1.655 54.797 53.050 0.153 0.000 0.716 534 N CB -1.248 37.355 38.487 0.192 0.000 1.020 534 N HN 0.611 nan 8.380 nan 0.000 0.548 535 W N -4.905 116.518 121.300 0.204 0.000 3.207 535 W HA -0.357 4.276 4.660 -0.045 0.000 0.291 535 W C 1.540 178.169 176.519 0.183 0.000 1.105 535 W CA 0.629 58.115 57.345 0.234 0.000 0.612 535 W CB -1.929 27.675 29.460 0.241 0.000 2.140 535 W HN 0.409 nan 8.180 nan 0.000 1.420 536 A N -0.555 122.425 122.820 0.266 0.000 2.066 536 A HA -0.095 4.198 4.320 -0.046 0.000 0.218 536 A C 1.672 179.373 177.584 0.195 0.000 1.157 536 A CA 1.907 54.072 52.037 0.213 0.000 0.670 536 A CB -0.200 18.887 19.000 0.145 0.000 0.804 536 A HN 0.280 nan 8.150 nan 0.000 0.453 537 D N -0.939 119.554 120.400 0.155 0.000 2.398 537 D HA 0.087 4.700 4.640 -0.046 0.000 0.210 537 D C 1.865 178.284 176.300 0.199 0.000 1.094 537 D CA 0.832 54.910 54.000 0.131 0.000 0.839 537 D CB 0.413 41.217 40.800 0.007 0.000 0.963 537 D HN 0.347 nan 8.370 nan 0.000 0.506 538 V N -1.704 118.410 119.914 0.334 0.000 2.626 538 V HA -0.080 4.012 4.120 -0.046 0.000 0.252 538 V C 2.002 178.396 176.094 0.499 0.000 1.067 538 V CA 0.831 63.420 62.300 0.482 0.000 1.081 538 V CB -0.588 31.698 31.823 0.772 0.000 0.686 538 V HN 0.285 nan 8.190 nan 0.000 0.468 539 W N 2.123 123.576 121.300 0.255 0.000 2.488 539 W HA -0.053 4.579 4.660 -0.045 0.000 0.304 539 W C 2.534 179.177 176.519 0.207 0.000 1.175 539 W CA 1.998 59.463 57.345 0.200 0.000 1.365 539 W CB -0.075 29.437 29.460 0.086 0.000 1.131 539 W HN 0.512 nan 8.180 nan 0.000 0.520 540 S N -0.418 115.459 115.700 0.295 0.000 2.492 540 S HA 0.026 4.468 4.470 -0.046 0.000 0.218 540 S C 0.393 175.043 174.600 0.083 0.000 1.016 540 S CA 0.447 58.734 58.200 0.145 0.000 0.916 540 S CB -0.137 63.211 63.200 0.247 0.000 0.791 540 S HN 0.212 nan 8.310 nan 0.000 0.513 541 N N 1.944 120.689 118.700 0.074 0.000 2.679 541 N HA 0.349 5.061 4.740 -0.046 0.000 0.240 541 N C -3.210 172.266 175.510 -0.056 0.000 1.537 541 N CA -1.275 51.777 53.050 0.004 0.000 0.793 541 N CB 1.277 39.774 38.487 0.017 0.000 1.391 541 N HN 0.173 nan 8.380 nan 0.000 0.524 542 P HA 0.211 nan 4.420 nan 0.000 0.274 542 P C -0.499 176.686 177.300 -0.191 0.000 1.246 542 P CA -0.303 62.686 63.100 -0.184 0.000 0.795 542 P CB 1.121 32.523 31.700 -0.496 0.000 1.006 543 R N 1.786 122.180 120.500 -0.178 0.000 2.458 543 R HA 0.049 4.361 4.340 -0.046 0.000 0.303 543 R C -1.436 174.792 176.300 -0.120 0.000 1.013 543 R CA -0.953 55.055 56.100 -0.153 0.000 1.026 543 R CB -0.475 29.730 30.300 -0.158 0.000 0.948 543 R HN 0.400 nan 8.270 nan 0.000 0.417 544 P HA -0.227 nan 4.420 nan 0.000 0.216 544 P C 0.898 178.162 177.300 -0.060 0.000 1.153 544 P CA 1.499 64.546 63.100 -0.088 0.000 0.858 544 P CB 0.207 31.874 31.700 -0.056 0.000 0.789 545 A N -0.380 122.420 122.820 -0.034 0.000 1.930 545 A HA -0.189 4.104 4.320 -0.046 0.000 0.217 545 A C 1.929 179.516 177.584 0.006 0.000 1.175 545 A CA 1.887 53.920 52.037 -0.007 0.000 0.627 545 A CB -1.195 17.809 19.000 0.007 0.000 0.815 545 A HN 0.095 nan 8.150 nan 0.000 0.443 546 D N 0.105 120.509 120.400 0.007 0.000 2.123 546 D HA 0.022 4.635 4.640 -0.046 0.000 0.200 546 D C 2.246 178.627 176.300 0.135 0.000 0.976 546 D CA 1.391 55.425 54.000 0.056 0.000 0.831 546 D CB -0.446 40.368 40.800 0.024 0.000 0.974 546 D HN 0.401 nan 8.370 nan 0.000 0.469 547 A N 1.259 124.031 122.820 -0.080 0.000 1.902 547 A HA -0.048 4.244 4.320 -0.046 0.000 0.217 547 A C 2.325 179.887 177.584 -0.038 0.000 1.181 547 A CA 2.216 53.964 52.037 -0.482 0.000 0.623 547 A CB -0.756 17.735 19.000 -0.848 0.000 0.818 547 A HN 0.226 nan 8.150 nan 0.000 0.443 548 A N -0.842 121.979 122.820 0.002 0.000 1.883 548 A HA -0.258 4.035 4.320 -0.046 0.000 0.217 548 A C 2.225 179.856 177.584 0.078 0.000 1.186 548 A CA 1.920 53.989 52.037 0.054 0.000 0.624 548 A CB -0.679 18.335 19.000 0.023 0.000 0.822 548 A HN 0.659 nan 8.150 nan 0.000 0.444 549 Q N -2.115 117.730 119.800 0.075 0.000 2.096 549 Q HA -0.241 4.072 4.340 -0.046 0.000 0.204 549 Q C 1.971 178.030 176.000 0.098 0.000 0.982 549 Q CA 2.057 57.899 55.803 0.065 0.000 0.850 549 Q CB -0.312 28.444 28.738 0.031 0.000 0.901 549 Q HN 0.756 nan 8.270 nan 0.000 0.422 550 Y N 0.352 120.706 120.300 0.090 0.000 2.181 550 Y HA -0.249 4.274 4.550 -0.046 0.000 0.288 550 Y C 1.948 177.927 175.900 0.131 0.000 1.146 550 Y CA 1.383 59.570 58.100 0.146 0.000 1.164 550 Y CB -0.271 38.369 38.460 0.299 0.000 0.982 550 Y HN 0.217 nan 8.280 nan 0.000 0.515 551 L N 0.124 121.483 121.223 0.226 0.000 2.042 551 L HA -0.157 4.156 4.340 -0.046 0.000 0.210 551 L C 2.446 179.302 176.870 -0.024 0.000 1.076 551 L CA 2.090 56.993 54.840 0.105 0.000 0.749 551 L CB -1.261 40.904 42.059 0.178 0.000 0.893 551 L HN 0.277 nan 8.230 nan 0.000 0.432 552 A N -0.017 122.795 122.820 -0.012 0.000 1.855 552 A HA -0.191 4.101 4.320 -0.046 0.000 0.215 552 A C 1.676 179.214 177.584 -0.077 0.000 1.191 552 A CA 1.880 53.898 52.037 -0.033 0.000 0.613 552 A CB -0.567 18.427 19.000 -0.010 0.000 0.829 552 A HN 0.778 nan 8.150 nan 0.000 0.442 553 N N -3.693 114.937 118.700 -0.117 0.000 2.110 553 N HA 0.203 4.916 4.740 -0.046 0.000 0.230 553 N C -0.559 174.825 175.510 -0.211 0.000 1.353 553 N CA 0.253 53.224 53.050 -0.131 0.000 0.807 553 N CB 0.515 38.964 38.487 -0.063 0.000 1.244 553 N HN 0.084 nan 8.380 nan 0.000 0.504 554 Q N 0.707 120.260 119.800 -0.411 0.000 2.493 554 Q HA -0.159 4.153 4.340 -0.046 0.000 0.278 554 Q C -0.774 175.121 176.000 -0.174 0.000 1.216 554 Q CA 1.089 56.474 55.803 -0.695 0.000 0.875 554 Q CB -2.185 26.213 28.738 -0.567 0.000 1.262 554 Q HN 0.756 nan 8.270 nan 0.000 0.468 555 S N -2.093 113.572 115.700 -0.059 0.000 2.739 555 S HA 0.950 5.392 4.470 -0.046 0.000 0.306 555 S C 0.760 175.314 174.600 -0.077 0.000 1.115 555 S CA -0.102 58.096 58.200 -0.003 0.000 0.985 555 S CB 2.517 65.722 63.200 0.008 0.000 1.133 555 S HN 1.333 nan 8.310 nan 0.000 0.541 556 G N -0.326 108.185 108.800 -0.482 0.000 2.500 556 G HA2 -0.137 3.796 3.960 -0.046 0.000 0.209 556 G HA3 -0.137 3.796 3.960 -0.046 0.000 0.209 556 G C 0.374 174.821 174.900 -0.756 0.000 1.283 556 G CA -0.292 44.088 45.100 -1.200 0.000 0.960 556 G HN 1.414 nan 8.290 nan 0.000 0.528 557 V N 0.025 119.584 119.914 -0.591 0.000 2.324 557 V HA -0.162 3.930 4.120 -0.046 0.000 0.250 557 V C 2.604 178.488 176.094 -0.349 0.000 1.060 557 V CA 3.121 65.177 62.300 -0.406 0.000 1.042 557 V CB -0.829 30.634 31.823 -0.601 0.000 0.650 557 V HN 0.515 nan 8.190 nan 0.000 0.450 558 F N 0.448 120.319 119.950 -0.131 0.000 2.641 558 F HA 0.094 4.593 4.527 -0.046 0.000 0.298 558 F C 2.153 177.779 175.800 -0.290 0.000 1.146 558 F CA 0.747 58.594 58.000 -0.255 0.000 1.464 558 F CB -0.698 38.000 39.000 -0.504 0.000 1.101 558 F HN 0.109 nan 8.300 nan 0.000 0.585 559 A N -0.306 122.560 122.820 0.075 0.000 2.208 559 A HA 0.440 4.733 4.320 -0.046 0.000 0.209 559 A C 1.449 179.012 177.584 -0.034 0.000 1.161 559 A CA 0.743 52.847 52.037 0.112 0.000 0.782 559 A CB -0.793 18.331 19.000 0.206 0.000 0.816 559 A HN 0.251 nan 8.150 nan 0.000 0.477 560 G N -1.819 106.957 108.800 -0.040 0.000 2.498 560 G HA2 0.590 4.522 3.960 -0.046 0.000 0.312 560 G HA3 0.590 4.522 3.960 -0.046 0.000 0.312 560 G C -0.034 174.794 174.900 -0.121 0.000 1.230 560 G CA 0.014 45.056 45.100 -0.097 0.000 0.968 560 G HN 0.502 nan 8.290 nan 0.000 0.481 561 A N 0.019 122.681 122.820 -0.262 0.000 2.260 561 A HA 0.568 4.861 4.320 -0.046 0.000 0.278 561 A C 2.005 179.618 177.584 0.048 0.000 1.269 561 A CA 0.665 52.654 52.037 -0.080 0.000 0.824 561 A CB 0.032 18.962 19.000 -0.117 0.000 1.238 561 A HN 1.470 nan 8.150 nan 0.000 0.507 562 S N -0.901 114.795 115.700 -0.007 0.000 2.406 562 S HA 0.032 4.474 4.470 -0.046 0.000 0.228 562 S C -1.786 172.980 174.600 0.277 0.000 1.020 562 S CA 0.301 58.498 58.200 -0.003 0.000 0.965 562 S CB -1.628 61.358 63.200 -0.357 0.000 0.798 562 S HN 0.490 nan 8.310 nan 0.000 0.488 563 P HA 0.193 nan 4.420 nan 0.000 0.268 563 P C 0.365 177.901 177.300 0.393 0.000 1.204 563 P CA 0.001 63.303 63.100 0.336 0.000 0.768 563 P CB 0.668 32.537 31.700 0.283 0.000 0.842 564 K N 1.993 122.610 120.400 0.363 0.000 2.403 564 K HA 0.284 4.577 4.320 -0.046 0.000 0.199 564 K C 0.417 177.314 176.600 0.496 0.000 1.199 564 K CA 0.363 56.901 56.287 0.417 0.000 0.924 564 K CB 0.308 33.039 32.500 0.385 0.000 1.137 564 K HN 0.335 nan 8.250 nan 0.000 0.510 565 L N 1.421 122.882 121.223 0.397 0.000 2.401 565 L HA 0.454 4.766 4.340 -0.046 0.000 0.266 565 L C -1.633 175.378 176.870 0.235 0.000 0.991 565 L CA -0.553 54.516 54.840 0.382 0.000 0.818 565 L CB 1.927 44.097 42.059 0.186 0.000 1.321 565 L HN -0.016 nan 8.230 nan 0.000 0.413 566 N N 3.668 122.489 118.700 0.202 0.000 2.240 566 N HA 0.647 5.359 4.740 -0.046 0.000 0.302 566 N C -1.618 173.784 175.510 -0.180 0.000 1.106 566 N CA -0.174 52.786 53.050 -0.150 0.000 0.778 566 N CB 2.515 40.856 38.487 -0.243 0.000 1.431 566 N HN 0.510 nan 8.380 nan 0.000 0.479 567 F N -1.416 118.152 119.950 -0.636 0.000 2.645 567 F HA 0.756 5.256 4.527 -0.045 0.000 0.310 567 F C -1.740 173.799 175.800 -0.435 0.000 1.102 567 F CA -1.006 56.838 58.000 -0.259 0.000 0.952 567 F CB 1.693 40.626 39.000 -0.111 0.000 1.326 567 F HN 0.285 nan 8.300 nan 0.000 0.456 568 W N 1.294 122.853 121.300 0.431 0.000 3.031 568 W HA 0.695 5.328 4.660 -0.046 0.000 0.337 568 W C -1.131 175.585 176.519 0.327 0.000 1.187 568 W CA -0.977 56.545 57.345 0.295 0.000 1.166 568 W CB 2.695 32.273 29.460 0.196 0.000 1.437 568 W HN 0.807 nan 8.180 nan 0.000 0.551 569 R N 1.028 121.788 120.500 0.434 0.000 2.536 569 R HA 0.564 4.876 4.340 -0.046 0.000 0.269 569 R C -1.196 174.975 176.300 -0.216 0.000 1.113 569 R CA -0.411 55.703 56.100 0.024 0.000 0.948 569 R CB 1.735 32.018 30.300 -0.027 0.000 1.237 569 R HN 0.510 nan 8.270 nan 0.000 0.441 570 A N 3.501 125.969 122.820 -0.586 0.000 2.331 570 A HA 0.525 4.818 4.320 -0.046 0.000 0.283 570 A C -1.457 175.781 177.584 -0.576 0.000 1.142 570 A CA -0.064 51.469 52.037 -0.840 0.000 0.812 570 A CB 0.302 18.800 19.000 -0.836 0.000 1.074 570 A HN 0.620 nan 8.150 nan 0.000 0.497 571 Y N 1.130 121.304 120.300 -0.209 0.000 2.361 571 Y HA 0.350 4.873 4.550 -0.046 0.000 0.337 571 Y C 0.640 176.523 175.900 -0.028 0.000 0.965 571 Y CA -0.213 57.846 58.100 -0.067 0.000 1.091 571 Y CB 2.190 40.641 38.460 -0.016 0.000 1.182 571 Y HN 0.666 nan 8.280 nan 0.000 0.450 572 S N 1.679 117.437 115.700 0.096 0.000 2.572 572 S HA 0.451 4.893 4.470 -0.046 0.000 0.279 572 S C 0.377 175.050 174.600 0.122 0.000 1.341 572 S CA -0.330 57.917 58.200 0.078 0.000 1.043 572 S CB 0.646 63.870 63.200 0.040 0.000 0.887 572 S HN 0.865 nan 8.310 nan 0.000 0.516 573 G N 0.568 109.436 108.800 0.113 0.000 2.415 573 G HA2 0.418 4.350 3.960 -0.046 0.000 0.327 573 G HA3 0.418 4.350 3.960 -0.046 0.000 0.327 573 G C 0.785 175.742 174.900 0.095 0.000 1.182 573 G CA -0.619 44.558 45.100 0.127 0.000 0.924 573 G HN 0.718 nan 8.290 nan 0.000 0.470 574 S N 0.844 116.595 115.700 0.086 0.000 2.469 574 S HA -0.138 4.305 4.470 -0.046 0.000 0.238 574 S C 1.208 175.849 174.600 0.068 0.000 0.998 574 S CA 1.448 59.686 58.200 0.064 0.000 0.957 574 S CB -0.009 63.224 63.200 0.055 0.000 0.764 574 S HN 0.608 nan 8.310 nan 0.000 0.514 575 D N -0.347 120.116 120.400 0.106 0.000 2.368 575 D HA 0.341 4.954 4.640 -0.046 0.000 0.218 575 D C 1.316 177.680 176.300 0.106 0.000 1.112 575 D CA 0.352 54.430 54.000 0.131 0.000 0.834 575 D CB -0.385 40.534 40.800 0.199 0.000 0.953 575 D HN 0.498 nan 8.370 nan 0.000 0.505 576 G N -0.489 108.333 108.800 0.036 0.000 2.195 576 G HA2 -0.243 3.689 3.960 -0.046 0.000 0.246 576 G HA3 -0.243 3.689 3.960 -0.046 0.000 0.246 576 G C -0.194 174.576 174.900 -0.215 0.000 0.984 576 G CA -0.226 44.806 45.100 -0.113 0.000 0.633 576 G HN 0.295 nan 8.290 nan 0.000 0.525 577 F N 1.998 121.968 119.950 0.032 0.000 2.404 577 F HA 0.564 5.063 4.527 -0.046 0.000 0.354 577 F C 0.898 176.728 175.800 0.051 0.000 1.122 577 F CA -0.390 57.631 58.000 0.036 0.000 1.080 577 F CB 1.927 40.950 39.000 0.039 0.000 1.131 577 F HN -0.099 nan 8.300 nan 0.000 0.471 578 T N 5.036 119.718 114.554 0.213 0.000 2.779 578 T HA 0.337 4.659 4.350 -0.046 0.000 0.296 578 T C 0.248 175.080 174.700 0.220 0.000 0.938 578 T CA -0.303 61.895 62.100 0.163 0.000 1.119 578 T CB 0.099 69.037 68.868 0.116 0.000 0.891 578 T HN 0.431 nan 8.240 nan 0.000 0.526 579 R N 2.055 122.674 120.500 0.198 0.000 2.604 579 R HA 0.467 4.779 4.340 -0.046 0.000 0.287 579 R C -1.127 175.305 176.300 0.220 0.000 0.970 579 R CA -0.741 55.500 56.100 0.234 0.000 0.946 579 R CB 1.296 31.711 30.300 0.190 0.000 1.127 579 R HN 0.528 nan 8.270 nan 0.000 0.473 580 Y N 0.392 120.815 120.300 0.205 0.000 2.342 580 Y HA 0.463 4.985 4.550 -0.046 0.000 0.334 580 Y C 0.273 176.332 175.900 0.265 0.000 1.067 580 Y CA -0.455 57.795 58.100 0.251 0.000 1.128 580 Y CB 1.985 40.567 38.460 0.203 0.000 1.200 580 Y HN 0.640 nan 8.280 nan 0.000 0.464 581 A N 3.614 126.672 122.820 0.396 0.000 2.312 581 A HA 0.623 4.915 4.320 -0.046 0.000 0.328 581 A C -0.862 176.863 177.584 0.235 0.000 1.158 581 A CA -0.662 51.540 52.037 0.276 0.000 0.821 581 A CB 1.107 20.253 19.000 0.243 0.000 1.170 581 A HN 0.740 nan 8.150 nan 0.000 0.490 582 Q N 1.076 120.898 119.800 0.036 0.000 2.356 582 Q HA 0.563 4.875 4.340 -0.046 0.000 0.270 582 Q C -0.430 175.262 176.000 -0.513 0.000 1.058 582 Q CA -0.616 54.953 55.803 -0.390 0.000 0.802 582 Q CB 2.017 30.574 28.738 -0.301 0.000 1.303 582 Q HN 0.938 nan 8.270 nan 0.000 0.444 583 G N 1.420 109.433 108.800 -1.312 0.000 2.388 583 G HA2 0.560 4.492 3.960 -0.046 0.000 0.330 583 G HA3 0.560 4.492 3.960 -0.046 0.000 0.330 583 G C -0.989 173.528 174.900 -0.639 0.000 1.142 583 G CA -0.243 44.121 45.100 -1.228 0.000 0.908 583 G HN 0.483 nan 8.290 nan 0.000 0.473 584 T N 1.293 115.757 114.554 -0.150 0.000 2.809 584 T HA 0.443 4.766 4.350 -0.046 0.000 0.284 584 T C -0.298 174.481 174.700 0.131 0.000 0.992 584 T CA -0.255 61.872 62.100 0.045 0.000 0.957 584 T CB 1.553 70.557 68.868 0.227 0.000 0.942 584 T HN 0.316 nan 8.240 nan 0.000 0.439 585 V N 5.531 125.555 119.914 0.183 0.000 2.398 585 V HA 0.697 4.789 4.120 -0.046 0.000 0.286 585 V C 0.171 176.435 176.094 0.284 0.000 1.026 585 V CA -0.806 61.645 62.300 0.251 0.000 0.868 585 V CB 1.245 33.196 31.823 0.212 0.000 0.982 585 V HN 0.878 nan 8.190 nan 0.000 0.443 586 R N 5.182 125.883 120.500 0.336 0.000 2.740 586 R HA 0.674 4.986 4.340 -0.046 0.000 0.273 586 R C -3.218 173.343 176.300 0.435 0.000 0.998 586 R CA -1.968 54.351 56.100 0.366 0.000 0.900 586 R CB 2.478 32.982 30.300 0.340 0.000 1.223 586 R HN 0.393 nan 8.270 nan 0.000 0.466 587 P HA 0.245 nan 4.420 nan 0.000 0.275 587 P C 0.082 177.723 177.300 0.569 0.000 1.228 587 P CA 0.857 64.230 63.100 0.455 0.000 0.786 587 P CB 1.072 32.970 31.700 0.329 0.000 0.927 588 G N 0.568 109.631 108.800 0.437 0.000 2.756 588 G HA2 0.353 4.285 3.960 -0.046 0.000 0.678 588 G HA3 0.353 4.285 3.960 -0.046 0.000 0.678 588 G C -1.323 173.772 174.900 0.325 0.000 1.349 588 G CA -0.279 45.066 45.100 0.408 0.000 0.847 588 G HN 0.749 nan 8.290 nan 0.000 0.548 589 A N -1.215 121.756 122.820 0.251 0.000 2.566 589 A HA 1.018 5.310 4.320 -0.046 0.000 0.297 589 A C 0.694 178.352 177.584 0.124 0.000 1.059 589 A CA 0.776 52.903 52.037 0.150 0.000 0.691 589 A CB 1.068 20.108 19.000 0.067 0.000 1.282 589 A HN 2.574 nan 8.150 nan 0.000 0.401 590 A N 0.767 123.631 122.820 0.073 0.000 1.929 590 A HA 0.440 4.733 4.320 -0.046 0.000 0.216 590 A C 1.190 178.790 177.584 0.027 0.000 1.176 590 A CA 1.861 53.924 52.037 0.043 0.000 0.628 590 A CB -0.174 18.817 19.000 -0.016 0.000 0.816 590 A HN 1.727 nan 8.150 nan 0.000 0.444 591 S N -1.492 114.208 115.700 0.000 0.000 2.548 591 S HA 0.574 5.016 4.470 -0.046 0.000 0.276 591 S C -1.508 173.064 174.600 -0.046 0.000 1.129 591 S CA -0.464 57.722 58.200 -0.023 0.000 0.931 591 S CB 1.665 64.829 63.200 -0.061 0.000 1.068 591 S HN 0.335 nan 8.310 nan 0.000 0.480 592 V N 4.424 124.307 119.914 -0.052 0.000 2.577 592 V HA 0.559 4.652 4.120 -0.046 0.000 0.303 592 V C -0.712 175.327 176.094 -0.092 0.000 1.042 592 V CA -0.881 61.343 62.300 -0.126 0.000 0.872 592 V CB 1.896 33.597 31.823 -0.203 0.000 0.998 592 V HN 0.864 nan 8.190 nan 0.000 0.423 593 N N 2.540 121.169 118.700 -0.118 0.000 2.804 593 N HA 0.321 5.033 4.740 -0.046 0.000 0.251 593 N C -1.054 174.398 175.510 -0.096 0.000 1.250 593 N CA 0.067 53.075 53.050 -0.071 0.000 0.820 593 N CB 1.450 39.915 38.487 -0.037 0.000 1.156 593 N HN 0.597 nan 8.380 nan 0.000 0.512 594 S N 0.798 116.457 115.700 -0.067 0.000 2.478 594 S HA 0.329 4.772 4.470 -0.046 0.000 0.312 594 S C 0.991 175.601 174.600 0.017 0.000 1.094 594 S CA -0.514 57.654 58.200 -0.054 0.000 1.081 594 S CB 0.668 63.824 63.200 -0.073 0.000 1.007 594 S HN 0.503 nan 8.310 nan 0.000 0.475 595 S N 4.740 120.438 115.700 -0.003 0.000 2.562 595 S HA 0.265 4.707 4.470 -0.046 0.000 0.221 595 S C 0.420 175.036 174.600 0.025 0.000 0.975 595 S CA -0.068 58.139 58.200 0.011 0.000 0.918 595 S CB -0.494 62.703 63.200 -0.005 0.000 0.772 595 S HN 0.621 nan 8.310 nan 0.000 0.531 596 L N 1.504 122.750 121.223 0.038 0.000 2.331 596 L HA 0.566 4.878 4.340 -0.046 0.000 0.275 596 L C -2.618 174.318 176.870 0.111 0.000 1.022 596 L CA -2.815 52.056 54.840 0.051 0.000 0.812 596 L CB 1.053 43.131 42.059 0.031 0.000 1.257 596 L HN -0.097 nan 8.230 nan 0.000 0.435 597 P HA 0.080 nan 4.420 nan 0.000 0.267 597 P C -1.571 175.809 177.300 0.133 0.000 1.200 597 P CA 0.283 63.413 63.100 0.049 0.000 0.772 597 P CB 0.257 31.953 31.700 -0.007 0.000 0.855 598 Y N -0.902 119.394 120.300 -0.008 0.000 2.597 598 Y HA 0.553 5.075 4.550 -0.046 0.000 0.340 598 Y C -0.850 175.054 175.900 0.007 0.000 1.097 598 Y CA -1.588 56.510 58.100 -0.002 0.000 1.037 598 Y CB 0.986 39.441 38.460 -0.008 0.000 1.305 598 Y HN 0.130 nan 8.280 nan 0.000 0.463 599 N N 1.354 120.104 118.700 0.083 0.000 2.420 599 N HA 0.308 5.020 4.740 -0.046 0.000 0.249 599 N C 0.510 176.095 175.510 0.125 0.000 1.033 599 N CA 0.480 53.539 53.050 0.016 0.000 0.944 599 N CB 1.732 40.248 38.487 0.047 0.000 1.113 599 N HN 0.992 nan 8.380 nan 0.000 0.502 600 A N 2.850 125.676 122.820 0.010 0.000 2.121 600 A HA -0.066 4.226 4.320 -0.046 0.000 0.218 600 A C 1.835 179.509 177.584 0.150 0.000 1.154 600 A CA 1.082 53.215 52.037 0.161 0.000 0.679 600 A CB -0.159 18.877 19.000 0.060 0.000 0.795 600 A HN 0.659 nan 8.150 nan 0.000 0.458 601 S N -0.377 115.378 115.700 0.092 0.000 2.561 601 S HA -0.053 4.389 4.470 -0.046 0.000 0.225 601 S C 1.387 176.060 174.600 0.122 0.000 0.977 601 S CA 0.801 59.049 58.200 0.080 0.000 0.926 601 S CB -0.043 63.182 63.200 0.042 0.000 0.769 601 S HN 0.756 nan 8.310 nan 0.000 0.533 602 Q N 0.738 120.637 119.800 0.166 0.000 2.219 602 Q HA 0.302 4.615 4.340 -0.046 0.000 0.209 602 Q C 0.216 176.388 176.000 0.287 0.000 0.854 602 Q CA -0.178 55.748 55.803 0.205 0.000 0.960 602 Q CB 0.248 29.092 28.738 0.177 0.000 1.116 602 Q HN 0.654 nan 8.270 nan 0.000 0.500 603 I N -1.163 119.568 120.570 0.269 0.000 2.519 603 I HA 0.513 4.655 4.170 -0.046 0.000 0.287 603 I C -0.386 175.961 176.117 0.384 0.000 1.047 603 I CA -0.910 60.545 61.300 0.258 0.000 1.381 603 I CB 0.416 38.516 38.000 0.165 0.000 1.417 603 I HN -0.128 nan 8.210 nan 0.000 0.540 604 F N 1.714 121.777 119.950 0.189 0.000 2.626 604 F HA 0.770 5.269 4.527 -0.046 0.000 0.311 604 F C -0.949 174.990 175.800 0.233 0.000 1.088 604 F CA -0.779 57.347 58.000 0.210 0.000 0.949 604 F CB 1.495 40.608 39.000 0.189 0.000 1.322 604 F HN 0.406 nan 8.300 nan 0.000 0.461 605 T N 3.003 117.757 114.554 0.334 0.000 2.823 605 T HA 0.607 4.929 4.350 -0.046 0.000 0.279 605 T C -0.490 174.387 174.700 0.296 0.000 0.998 605 T CA -0.425 61.797 62.100 0.202 0.000 0.994 605 T CB 1.311 70.277 68.868 0.163 0.000 0.960 605 T HN 0.545 nan 8.240 nan 0.000 0.448 606 I N 3.129 123.857 120.570 0.262 0.000 2.359 606 I HA 0.237 4.379 4.170 -0.046 0.000 0.284 606 I C 0.234 176.409 176.117 0.097 0.000 1.018 606 I CA -0.560 60.887 61.300 0.245 0.000 1.173 606 I CB 1.232 39.428 38.000 0.326 0.000 1.326 606 I HN 0.508 nan 8.210 nan 0.000 0.462 607 T N 5.991 120.546 114.554 0.002 0.000 2.743 607 T HA 0.324 4.646 4.350 -0.046 0.000 0.293 607 T C 0.060 174.538 174.700 -0.371 0.000 0.945 607 T CA -0.328 61.645 62.100 -0.211 0.000 1.030 607 T CB 1.254 69.959 68.868 -0.271 0.000 0.912 607 T HN 0.159 nan 8.240 nan 0.000 0.483 608 V N 5.285 124.966 119.914 -0.387 0.000 2.370 608 V HA 0.433 4.525 4.120 -0.046 0.000 0.283 608 V C -0.867 174.971 176.094 -0.427 0.000 1.023 608 V CA -0.809 61.304 62.300 -0.311 0.000 0.857 608 V CB 0.261 32.002 31.823 -0.138 0.000 0.985 608 V HN 0.769 nan 8.190 nan 0.000 0.443 609 Y N 4.006 124.241 120.300 -0.108 0.000 2.528 609 Y HA 0.673 5.195 4.550 -0.046 0.000 0.335 609 Y C 0.128 176.020 175.900 -0.014 0.000 1.093 609 Y CA -0.974 57.094 58.100 -0.053 0.000 1.134 609 Y CB 1.527 39.984 38.460 -0.005 0.000 1.253 609 Y HN 0.369 nan 8.280 nan 0.000 0.478 610 L N 1.278 122.615 121.223 0.190 0.000 2.344 610 L HA 0.542 4.854 4.340 -0.046 0.000 0.272 610 L C 0.352 177.347 176.870 0.208 0.000 1.035 610 L CA -0.214 54.728 54.840 0.170 0.000 0.807 610 L CB 1.859 43.978 42.059 0.099 0.000 1.237 610 L HN 0.959 nan 8.230 nan 0.000 0.442 611 S N -0.581 115.259 115.700 0.233 0.000 4.167 611 S HA 0.150 4.592 4.470 -0.046 0.000 0.168 611 S C 0.365 175.131 174.600 0.277 0.000 1.032 611 S CA -0.292 58.040 58.200 0.220 0.000 1.146 611 S CB 0.291 63.611 63.200 0.200 0.000 1.888 611 S HN 0.465 nan 8.310 nan 0.000 0.844 612 T N 1.942 116.642 114.554 0.244 0.000 2.946 612 T HA 0.437 4.760 4.350 -0.046 0.000 0.312 612 T C 1.404 176.220 174.700 0.193 0.000 1.066 612 T CA 1.500 63.701 62.100 0.169 0.000 1.138 612 T CB -0.047 68.877 68.868 0.094 0.000 1.014 612 T HN 1.657 nan 8.240 nan 0.000 0.544 613 G N 2.399 111.176 108.800 -0.038 0.000 2.267 613 G HA2 -0.282 3.651 3.960 -0.046 0.000 0.257 613 G HA3 -0.282 3.651 3.960 -0.046 0.000 0.257 613 G C 0.398 175.338 174.900 0.066 0.000 0.998 613 G CA 0.274 45.398 45.100 0.040 0.000 0.620 613 G HN 1.072 nan 8.290 nan 0.000 0.529 614 I N -1.954 118.745 120.570 0.215 0.000 2.836 614 I HA 0.485 4.627 4.170 -0.046 0.000 0.285 614 I C 1.098 177.216 176.117 0.001 0.000 1.174 614 I CA -0.173 61.182 61.300 0.091 0.000 1.405 614 I CB 0.603 38.646 38.000 0.072 0.000 1.385 614 I HN -0.060 nan 8.210 nan 0.000 0.594 615 Q N 2.651 122.387 119.800 -0.107 0.000 2.317 615 Q HA 0.235 4.548 4.340 -0.046 0.000 0.220 615 Q C 0.334 176.257 176.000 -0.128 0.000 0.873 615 Q CA 0.140 55.833 55.803 -0.183 0.000 0.936 615 Q CB 0.477 29.085 28.738 -0.215 0.000 1.105 615 Q HN 0.798 nan 8.270 nan 0.000 0.520 616 S N 1.916 117.556 115.700 -0.101 0.000 2.549 616 S HA 0.223 4.666 4.470 -0.046 0.000 0.283 616 S C 0.186 174.701 174.600 -0.143 0.000 1.320 616 S CA 0.092 58.231 58.200 -0.101 0.000 1.058 616 S CB 0.586 63.739 63.200 -0.078 0.000 0.882 616 S HN 0.072 nan 8.310 nan 0.000 0.498 617 R N 1.286 121.707 120.500 -0.131 0.000 2.686 617 R HA 0.645 4.958 4.340 -0.046 0.000 0.283 617 R C 0.351 176.570 176.300 -0.135 0.000 0.978 617 R CA -0.618 55.397 56.100 -0.142 0.000 0.897 617 R CB 1.825 32.055 30.300 -0.117 0.000 1.192 617 R HN 0.742 nan 8.270 nan 0.000 0.457 618 G N 0.550 109.262 108.800 -0.147 0.000 3.217 618 G HA2 0.649 4.582 3.960 -0.046 0.000 0.213 618 G HA3 0.649 4.582 3.960 -0.046 0.000 0.213 618 G C -1.129 173.719 174.900 -0.086 0.000 1.294 618 G CA -0.452 44.570 45.100 -0.130 0.000 0.987 618 G HN 0.340 nan 8.290 nan 0.000 0.584 619 R N -0.552 119.905 120.500 -0.071 0.000 2.535 619 R HA 0.469 4.781 4.340 -0.046 0.000 0.274 619 R C -1.117 175.143 176.300 -0.066 0.000 1.090 619 R CA -0.599 55.464 56.100 -0.061 0.000 0.930 619 R CB 1.588 31.859 30.300 -0.050 0.000 1.223 619 R HN 0.683 nan 8.270 nan 0.000 0.441 620 I N 0.484 120.990 120.570 -0.106 0.000 2.797 620 I HA 0.966 5.108 4.170 -0.046 0.000 0.307 620 I C -0.159 175.952 176.117 -0.010 0.000 1.033 620 I CA -0.550 60.664 61.300 -0.142 0.000 1.071 620 I CB 2.428 40.096 38.000 -0.553 0.000 1.255 620 I HN 0.742 nan 8.210 nan 0.000 0.445 621 G N 3.969 112.825 108.800 0.094 0.000 2.512 621 G HA2 0.460 4.392 3.960 -0.046 0.000 0.186 621 G HA3 0.460 4.392 3.960 -0.046 0.000 0.186 621 G C -1.316 173.739 174.900 0.258 0.000 1.189 621 G CA -0.434 44.818 45.100 0.254 0.000 0.994 621 G HN 0.992 nan 8.290 nan 0.000 0.506 622 I N -0.762 119.896 120.570 0.147 0.000 2.892 622 I HA 0.769 4.911 4.170 -0.046 0.000 0.306 622 I C -0.993 175.124 176.117 0.000 0.000 1.078 622 I CA -1.142 60.217 61.300 0.098 0.000 1.032 622 I CB 2.448 40.531 38.000 0.139 0.000 1.229 622 I HN 0.596 nan 8.210 nan 0.000 0.435 623 D N 3.285 123.686 120.400 0.002 0.000 2.549 623 D HA 0.473 5.085 4.640 -0.046 0.000 0.270 623 D C 0.996 177.282 176.300 -0.023 0.000 1.181 623 D CA -0.421 53.567 54.000 -0.020 0.000 1.070 623 D CB 1.181 41.970 40.800 -0.017 0.000 1.154 623 D HN 0.680 nan 8.370 nan 0.000 0.602 624 A N -0.483 122.322 122.820 -0.025 0.000 2.070 624 A HA 0.117 4.409 4.320 -0.046 0.000 0.220 624 A C 1.971 179.547 177.584 -0.014 0.000 1.159 624 A CA 1.810 53.834 52.037 -0.022 0.000 0.656 624 A CB -1.147 17.841 19.000 -0.021 0.000 0.800 624 A HN 0.673 nan 8.150 nan 0.000 0.453 625 A N -1.019 121.795 122.820 -0.011 0.000 2.238 625 A HA 0.458 4.751 4.320 -0.046 0.000 0.208 625 A C 1.032 178.616 177.584 -0.000 0.000 1.177 625 A CA 0.525 52.558 52.037 -0.007 0.000 0.804 625 A CB -0.698 18.295 19.000 -0.012 0.000 0.823 625 A HN 0.908 nan 8.150 nan 0.000 0.482 626 L N -1.740 119.486 121.223 0.006 0.000 4.089 626 L HA -0.230 4.082 4.340 -0.046 0.000 0.408 626 L C 0.146 177.033 176.870 0.028 0.000 1.184 626 L CA 0.224 55.079 54.840 0.025 0.000 0.947 626 L CB -1.863 40.211 42.059 0.025 0.000 2.066 626 L HN 0.497 nan 8.230 nan 0.000 0.851 627 R N 0.897 121.404 120.500 0.012 0.000 2.441 627 R HA 0.467 4.779 4.340 -0.046 0.000 0.284 627 R C 0.933 177.244 176.300 0.019 0.000 1.070 627 R CA 0.295 56.392 56.100 -0.004 0.000 1.047 627 R CB 0.754 31.033 30.300 -0.035 0.000 1.016 627 R HN 0.162 nan 8.270 nan 0.000 0.477 628 G N 1.083 109.889 108.800 0.011 0.000 2.343 628 G HA2 0.185 4.118 3.960 -0.046 0.000 0.254 628 G HA3 0.185 4.118 3.960 -0.046 0.000 0.254 628 G C -0.324 174.542 174.900 -0.056 0.000 1.277 628 G CA 0.209 45.366 45.100 0.094 0.000 0.909 628 G HN 0.422 nan 8.290 nan 0.000 0.502 629 T N 0.544 115.160 114.554 0.105 0.000 2.883 629 T HA 0.388 4.710 4.350 -0.046 0.000 0.301 629 T C -0.583 174.202 174.700 0.141 0.000 1.158 629 T CA -0.477 61.631 62.100 0.013 0.000 1.007 629 T CB 1.704 70.568 68.868 -0.007 0.000 1.186 629 T HN 0.334 nan 8.240 nan 0.000 0.499 630 V N 5.743 125.697 119.914 0.066 0.000 2.356 630 V HA 0.248 4.341 4.120 -0.046 0.000 0.258 630 V C 1.429 177.544 176.094 0.036 0.000 1.065 630 V CA 0.049 62.388 62.300 0.065 0.000 0.935 630 V CB 0.275 32.172 31.823 0.123 0.000 1.061 630 V HN 0.798 nan 8.190 nan 0.000 0.484 631 L N 3.261 124.491 121.223 0.013 0.000 2.109 631 L HA 0.063 4.375 4.340 -0.046 0.000 0.207 631 L C 0.831 177.696 176.870 -0.008 0.000 1.086 631 L CA 1.122 55.961 54.840 -0.002 0.000 0.760 631 L CB -0.093 41.955 42.059 -0.018 0.000 0.910 631 L HN 0.589 nan 8.230 nan 0.000 0.437 632 T N 0.268 114.808 114.554 -0.023 0.000 2.965 632 T HA 0.326 4.649 4.350 -0.046 0.000 0.306 632 T C -2.541 172.110 174.700 -0.080 0.000 0.991 632 T CA -1.155 60.923 62.100 -0.036 0.000 1.001 632 T CB 2.033 70.873 68.868 -0.047 0.000 0.984 632 T HN -0.259 nan 8.240 nan 0.000 0.446 633 P HA 0.112 nan 4.420 nan 0.000 0.263 633 P C -1.792 175.284 177.300 -0.373 0.000 1.195 633 P CA -1.010 61.956 63.100 -0.224 0.000 0.762 633 P CB 0.374 32.130 31.700 0.094 0.000 0.799 634 P HA 0.013 nan 4.420 nan 0.000 0.251 634 P C -0.410 176.586 177.300 -0.507 0.000 1.223 634 P CA 0.542 63.283 63.100 -0.598 0.000 0.796 634 P CB 0.392 31.702 31.700 -0.650 0.000 1.068 635 W N 1.665 122.956 121.300 -0.015 0.000 2.322 635 W HA 0.308 4.942 4.660 -0.043 0.000 0.307 635 W C 1.035 177.530 176.519 -0.040 0.000 1.220 635 W CA -0.589 56.730 57.345 -0.045 0.000 1.210 635 W CB 0.347 29.778 29.460 -0.048 0.000 1.223 635 W HN -0.145 nan 8.180 nan 0.000 0.511 636 L N 1.913 123.215 121.223 0.131 0.000 3.843 636 L HA -0.341 3.971 4.340 -0.046 0.000 0.411 636 L C 1.140 178.030 176.870 0.034 0.000 1.205 636 L CA -0.274 54.604 54.840 0.063 0.000 0.945 636 L CB -1.831 40.263 42.059 0.060 0.000 1.929 636 L HN 0.330 nan 8.230 nan 0.000 0.934 637 V N -1.348 118.570 119.914 0.007 0.000 2.427 637 V HA -0.135 3.958 4.120 -0.046 0.000 0.248 637 V C 1.582 177.669 176.094 -0.011 0.000 1.051 637 V CA 2.195 64.488 62.300 -0.011 0.000 1.048 637 V CB -0.271 31.526 31.823 -0.043 0.000 0.666 637 V HN 0.659 nan 8.190 nan 0.000 0.456 638 N N 0.596 119.286 118.700 -0.016 0.000 2.419 638 N HA 0.102 4.815 4.740 -0.046 0.000 0.264 638 N C -1.986 173.524 175.510 0.000 0.000 1.031 638 N CA -1.436 51.606 53.050 -0.012 0.000 0.951 638 N CB 2.150 40.620 38.487 -0.027 0.000 1.101 638 N HN 0.037 nan 8.380 nan 0.000 0.488 639 P HA -0.101 nan 4.420 nan 0.000 0.219 639 P C 1.356 178.664 177.300 0.014 0.000 1.146 639 P CA 0.657 63.763 63.100 0.011 0.000 0.808 639 P CB 0.451 32.159 31.700 0.013 0.000 0.779 640 V N -0.067 119.859 119.914 0.020 0.000 2.548 640 V HA -0.183 3.910 4.120 -0.046 0.000 0.249 640 V C 1.852 177.959 176.094 0.021 0.000 1.055 640 V CA 1.821 64.139 62.300 0.030 0.000 1.065 640 V CB -1.148 30.707 31.823 0.052 0.000 0.681 640 V HN 0.074 nan 8.190 nan 0.000 0.462 641 D N 0.333 120.741 120.400 0.013 0.000 2.116 641 D HA -0.217 4.395 4.640 -0.046 0.000 0.193 641 D C 2.150 178.443 176.300 -0.010 0.000 0.998 641 D CA 1.554 55.557 54.000 0.006 0.000 0.836 641 D CB -0.171 40.632 40.800 0.006 0.000 0.951 641 D HN 0.394 nan 8.370 nan 0.000 0.449 642 K N -0.066 120.329 120.400 -0.008 0.000 2.057 642 K HA -0.098 4.194 4.320 -0.046 0.000 0.206 642 K C 1.970 178.554 176.600 -0.025 0.000 1.050 642 K CA 1.345 57.619 56.287 -0.021 0.000 0.935 642 K CB -0.042 32.451 32.500 -0.011 0.000 0.715 642 K HN -0.004 nan 8.250 nan 0.000 0.439 643 T N 0.704 115.253 114.554 -0.010 0.000 2.684 643 T HA -0.135 4.187 4.350 -0.046 0.000 0.267 643 T C 1.819 176.500 174.700 -0.031 0.000 1.036 643 T CA 1.605 63.703 62.100 -0.004 0.000 1.148 643 T CB -0.162 68.713 68.868 0.012 0.000 0.863 643 T HN 0.006 nan 8.240 nan 0.000 0.436 644 V N 1.428 121.311 119.914 -0.052 0.000 2.427 644 V HA -0.084 4.008 4.120 -0.046 0.000 0.248 644 V C 2.376 178.325 176.094 -0.242 0.000 1.051 644 V CA 1.146 63.362 62.300 -0.141 0.000 1.048 644 V CB -0.676 31.091 31.823 -0.094 0.000 0.666 644 V HN 0.322 nan 8.190 nan 0.000 0.456 645 L N -0.118 121.015 121.223 -0.149 0.000 2.012 645 L HA -0.184 4.128 4.340 -0.046 0.000 0.210 645 L C 2.200 178.988 176.870 -0.137 0.000 1.073 645 L CA 2.002 56.751 54.840 -0.152 0.000 0.748 645 L CB -0.577 41.415 42.059 -0.112 0.000 0.891 645 L HN 0.206 nan 8.230 nan 0.000 0.431 646 L N -1.096 120.081 121.223 -0.078 0.000 2.131 646 L HA -0.231 4.081 4.340 -0.046 0.000 0.210 646 L C 2.643 179.550 176.870 0.062 0.000 1.092 646 L CA 1.278 56.112 54.840 -0.009 0.000 0.759 646 L CB -0.449 41.642 42.059 0.053 0.000 0.903 646 L HN 0.420 nan 8.230 nan 0.000 0.435 647 Q N -0.606 119.188 119.800 -0.010 0.000 2.079 647 Q HA -0.183 4.130 4.340 -0.046 0.000 0.200 647 Q C 2.464 178.450 176.000 -0.024 0.000 0.974 647 Q CA 1.564 57.381 55.803 0.022 0.000 0.840 647 Q CB -0.247 28.469 28.738 -0.036 0.000 0.898 647 Q HN 0.572 nan 8.270 nan 0.000 0.430 648 A N 0.795 123.443 122.820 -0.287 0.000 1.902 648 A HA -0.167 4.126 4.320 -0.046 0.000 0.217 648 A C 2.060 179.658 177.584 0.023 0.000 1.181 648 A CA 1.116 53.027 52.037 -0.210 0.000 0.623 648 A CB -0.686 18.092 19.000 -0.370 0.000 0.818 648 A HN 0.282 nan 8.150 nan 0.000 0.443 649 L N -1.527 119.677 121.223 -0.031 0.000 2.017 649 L HA -0.203 4.110 4.340 -0.046 0.000 0.208 649 L C 2.707 179.562 176.870 -0.026 0.000 1.073 649 L CA 1.438 56.254 54.840 -0.040 0.000 0.745 649 L CB -0.804 41.182 42.059 -0.122 0.000 0.894 649 L HN 0.459 nan 8.230 nan 0.000 0.432 650 H N -0.024 119.066 119.070 0.033 0.000 2.353 650 H HA -0.159 4.370 4.556 -0.046 0.000 0.300 650 H C 1.854 177.224 175.328 0.069 0.000 1.090 650 H CA 1.683 57.758 56.048 0.045 0.000 1.327 650 H CB -0.038 29.746 29.762 0.037 0.000 1.383 650 H HN 0.364 nan 8.280 nan 0.000 0.508 651 D N -0.025 120.506 120.400 0.218 0.000 2.144 651 D HA -0.095 4.518 4.640 -0.046 0.000 0.200 651 D C 2.426 178.805 176.300 0.131 0.000 0.978 651 D CA 0.358 54.475 54.000 0.196 0.000 0.833 651 D CB -0.195 40.770 40.800 0.275 0.000 0.961 651 D HN 0.113 nan 8.370 nan 0.000 0.470 652 V N 0.937 120.922 119.914 0.118 0.000 2.343 652 V HA -0.172 3.920 4.120 -0.046 0.000 0.247 652 V C 2.412 178.512 176.094 0.010 0.000 1.051 652 V CA 1.704 64.032 62.300 0.047 0.000 1.036 652 V CB -0.339 31.554 31.823 0.117 0.000 0.654 652 V HN 0.220 nan 8.190 nan 0.000 0.451 653 V N -1.128 118.826 119.914 0.066 0.000 3.649 653 V HA 0.046 4.139 4.120 -0.046 0.000 0.275 653 V C 2.263 178.396 176.094 0.064 0.000 1.281 653 V CA 0.937 63.283 62.300 0.077 0.000 1.143 653 V CB -0.385 31.503 31.823 0.108 0.000 0.892 653 V HN 0.588 nan 8.190 nan 0.000 0.441 654 S N 3.068 118.811 115.700 0.072 0.000 2.380 654 S HA -0.278 4.165 4.470 -0.046 0.000 0.229 654 S C 1.522 176.147 174.600 0.041 0.000 1.043 654 S CA 2.097 60.341 58.200 0.074 0.000 1.038 654 S CB -0.999 62.248 63.200 0.079 0.000 0.872 654 S HN 0.876 nan 8.310 nan 0.000 0.456 655 N N 0.871 119.579 118.700 0.012 0.000 2.321 655 N HA 0.224 4.937 4.740 -0.046 0.000 0.242 655 N C 0.903 176.402 175.510 -0.018 0.000 1.141 655 N CA -0.159 52.888 53.050 -0.005 0.000 0.864 655 N CB -0.418 38.057 38.487 -0.021 0.000 1.100 655 N HN 0.573 nan 8.380 nan 0.000 0.510 656 I N 0.258 120.828 120.570 0.000 0.000 2.264 656 I HA -0.139 4.004 4.170 -0.046 0.000 0.248 656 I C 1.805 177.934 176.117 0.021 0.000 1.111 656 I CA 1.391 62.696 61.300 0.008 0.000 1.382 656 I CB -0.226 37.816 38.000 0.071 0.000 1.060 656 I HN 0.257 nan 8.210 nan 0.000 0.418 657 G N -0.669 108.146 108.800 0.025 0.000 2.559 657 G HA2 -0.165 3.768 3.960 -0.046 0.000 0.216 657 G HA3 -0.165 3.768 3.960 -0.046 0.000 0.216 657 G C 1.499 176.410 174.900 0.018 0.000 1.126 657 G CA 0.720 45.835 45.100 0.026 0.000 0.778 657 G HN 0.450 nan 8.290 nan 0.000 0.543 658 S N -0.053 115.650 115.700 0.005 0.000 2.558 658 S HA 0.232 4.674 4.470 -0.046 0.000 0.217 658 S C 0.510 175.107 174.600 -0.005 0.000 0.975 658 S CA -0.009 58.190 58.200 -0.002 0.000 0.912 658 S CB 0.163 63.355 63.200 -0.014 0.000 0.776 658 S HN 0.130 nan 8.310 nan 0.000 0.526 659 I N 3.357 123.927 120.570 0.001 0.000 2.330 659 I HA 0.355 4.497 4.170 -0.046 0.000 0.286 659 I C -2.771 173.394 176.117 0.079 0.000 1.025 659 I CA -3.310 57.999 61.300 0.016 0.000 1.197 659 I CB 0.530 38.513 38.000 -0.028 0.000 1.358 659 I HN -0.178 nan 8.210 nan 0.000 0.467 660 P HA 0.204 nan 4.420 nan 0.000 0.264 660 P C 0.966 178.326 177.300 0.100 0.000 1.193 660 P CA 0.543 63.690 63.100 0.079 0.000 0.763 660 P CB 0.672 32.408 31.700 0.060 0.000 0.810 661 G N 1.769 110.590 108.800 0.036 0.000 2.179 661 G HA2 -0.257 3.675 3.960 -0.046 0.000 0.260 661 G HA3 -0.257 3.675 3.960 -0.046 0.000 0.260 661 G C -0.181 174.749 174.900 0.052 0.000 0.977 661 G CA -0.140 44.927 45.100 -0.055 0.000 0.641 661 G HN 0.595 nan 8.290 nan 0.000 0.533 662 L N 2.454 123.808 121.223 0.217 0.000 2.281 662 L HA 0.746 5.058 4.340 -0.046 0.000 0.285 662 L C 0.018 177.002 176.870 0.189 0.000 1.074 662 L CA 0.189 55.195 54.840 0.278 0.000 0.817 662 L CB 1.237 43.423 42.059 0.212 0.000 1.168 662 L HN 0.101 nan 8.230 nan 0.000 0.434 663 T N 6.205 120.885 114.554 0.209 0.000 2.886 663 T HA 0.403 4.726 4.350 -0.046 0.000 0.292 663 T C -0.460 174.326 174.700 0.144 0.000 1.012 663 T CA -0.431 61.753 62.100 0.140 0.000 0.982 663 T CB 1.434 70.346 68.868 0.073 0.000 1.018 663 T HN 0.676 nan 8.240 nan 0.000 0.451 664 M N 4.704 124.324 119.600 0.033 0.000 2.120 664 M HA 0.435 4.888 4.480 -0.046 0.000 0.354 664 M C 0.634 176.740 176.300 -0.324 0.000 1.287 664 M CA -0.338 54.773 55.300 -0.315 0.000 1.103 664 M CB 0.162 32.532 32.600 -0.383 0.000 1.623 664 M HN 0.800 nan 8.290 nan 0.000 0.471 665 I N 0.165 120.483 120.570 -0.420 0.000 4.181 665 I HA 0.352 4.495 4.170 -0.046 0.000 0.331 665 I C -0.442 175.434 176.117 -0.401 0.000 1.312 665 I CA -0.063 61.030 61.300 -0.345 0.000 1.146 665 I CB 0.821 38.610 38.000 -0.352 0.000 1.074 665 I HN 0.464 nan 8.210 nan 0.000 0.402 666 T N 4.636 118.884 114.554 -0.510 0.000 3.170 666 T HA 0.394 4.717 4.350 -0.046 0.000 0.315 666 T C -2.840 171.409 174.700 -0.753 0.000 0.967 666 T CA -0.879 60.911 62.100 -0.518 0.000 1.024 666 T CB 2.124 70.771 68.868 -0.369 0.000 1.018 666 T HN 0.003 nan 8.240 nan 0.000 0.449 667 P HA 0.217 nan 4.420 nan 0.000 0.275 667 P C -0.469 176.574 177.300 -0.429 0.000 1.227 667 P CA -0.324 62.346 63.100 -0.716 0.000 0.781 667 P CB 0.657 31.913 31.700 -0.740 0.000 0.906 668 D N 1.039 121.268 120.400 -0.285 0.000 2.380 668 D HA -0.032 4.580 4.640 -0.046 0.000 0.254 668 D C 1.344 177.554 176.300 -0.149 0.000 1.288 668 D CA -0.553 53.328 54.000 -0.199 0.000 1.008 668 D CB -0.403 40.315 40.800 -0.136 0.000 1.099 668 D HN 0.169 nan 8.370 nan 0.000 0.537 669 V N -2.968 116.886 119.914 -0.100 0.000 3.026 669 V HA -0.142 3.951 4.120 -0.046 0.000 0.265 669 V C 1.814 177.877 176.094 -0.051 0.000 1.121 669 V CA 1.888 64.148 62.300 -0.067 0.000 1.142 669 V CB -1.832 29.967 31.823 -0.041 0.000 0.730 669 V HN 0.805 nan 8.190 nan 0.000 0.503 670 T N -2.689 111.833 114.554 -0.053 0.000 3.100 670 T HA 0.071 4.393 4.350 -0.046 0.000 0.253 670 T C 0.748 175.427 174.700 -0.034 0.000 1.118 670 T CA 0.508 62.587 62.100 -0.035 0.000 1.058 670 T CB -0.098 68.754 68.868 -0.027 0.000 0.953 670 T HN 0.665 nan 8.240 nan 0.000 0.515 671 Q N 2.211 121.978 119.800 -0.056 0.000 2.321 671 Q HA 0.429 4.741 4.340 -0.046 0.000 0.270 671 Q C -0.552 175.417 176.000 -0.051 0.000 1.032 671 Q CA -0.723 55.055 55.803 -0.042 0.000 0.784 671 Q CB 1.891 30.600 28.738 -0.049 0.000 1.264 671 Q HN 0.475 nan 8.270 nan 0.000 0.448 672 T N 0.248 114.796 114.554 -0.010 0.000 2.868 672 T HA 0.207 4.529 4.350 -0.046 0.000 0.292 672 T C 1.470 176.167 174.700 -0.005 0.000 1.028 672 T CA -0.564 61.534 62.100 -0.003 0.000 1.059 672 T CB 0.558 69.449 68.868 0.039 0.000 0.991 672 T HN 0.714 nan 8.240 nan 0.000 0.531 673 L N 0.433 121.624 121.223 -0.053 0.000 2.079 673 L HA -0.132 4.181 4.340 -0.046 0.000 0.210 673 L C 2.868 179.754 176.870 0.027 0.000 1.081 673 L CA 1.597 56.396 54.840 -0.068 0.000 0.752 673 L CB -0.631 41.243 42.059 -0.309 0.000 0.896 673 L HN 0.711 nan 8.230 nan 0.000 0.433 674 E N 0.066 120.294 120.200 0.047 0.000 2.072 674 E HA -0.199 4.124 4.350 -0.046 0.000 0.191 674 E C 2.077 178.710 176.600 0.056 0.000 0.985 674 E CA 1.026 57.461 56.400 0.058 0.000 0.801 674 E CB -0.107 29.638 29.700 0.075 0.000 0.750 674 E HN 0.453 nan 8.360 nan 0.000 0.452 675 E N -0.662 119.579 120.200 0.067 0.000 2.106 675 E HA -0.194 4.128 4.350 -0.046 0.000 0.192 675 E C 1.696 178.365 176.600 0.114 0.000 0.984 675 E CA 0.823 57.265 56.400 0.070 0.000 0.806 675 E CB -0.165 29.569 29.700 0.057 0.000 0.750 675 E HN 0.281 nan 8.360 nan 0.000 0.458 676 Y N 1.015 121.304 120.300 -0.018 0.000 2.163 676 Y HA -0.193 4.329 4.550 -0.045 0.000 0.288 676 Y C 2.109 178.033 175.900 0.041 0.000 1.136 676 Y CA 0.925 59.027 58.100 0.003 0.000 1.147 676 Y CB -0.356 38.087 38.460 -0.029 0.000 0.987 676 Y HN -0.194 nan 8.280 nan 0.000 0.509 677 V N 0.467 120.370 119.914 -0.018 0.000 2.343 677 V HA -0.269 3.823 4.120 -0.046 0.000 0.247 677 V C 1.930 177.975 176.094 -0.082 0.000 1.051 677 V CA 2.243 64.447 62.300 -0.160 0.000 1.036 677 V CB -0.620 31.122 31.823 -0.134 0.000 0.654 677 V HN 0.335 nan 8.190 nan 0.000 0.451 678 D N 0.428 120.815 120.400 -0.022 0.000 2.178 678 D HA -0.065 4.548 4.640 -0.046 0.000 0.202 678 D C 1.953 178.252 176.300 -0.001 0.000 0.974 678 D CA 1.497 55.493 54.000 -0.005 0.000 0.841 678 D CB -0.152 40.653 40.800 0.009 0.000 0.953 678 D HN 0.471 nan 8.370 nan 0.000 0.478 679 A N -0.747 122.073 122.820 0.000 0.000 2.275 679 A HA 0.005 4.297 4.320 -0.046 0.000 0.212 679 A C 0.435 177.992 177.584 -0.045 0.000 1.201 679 A CA -0.292 51.737 52.037 -0.012 0.000 0.843 679 A CB -0.410 18.594 19.000 0.006 0.000 0.873 679 A HN 0.158 nan 8.150 nan 0.000 0.492 680 Y N 1.311 121.475 120.300 -0.226 0.000 2.442 680 Y HA 0.220 4.742 4.550 -0.046 0.000 0.330 680 Y C 0.313 176.088 175.900 -0.208 0.000 1.129 680 Y CA -0.689 57.229 58.100 -0.303 0.000 1.365 680 Y CB 0.413 38.620 38.460 -0.421 0.000 1.233 680 Y HN 0.246 nan 8.280 nan 0.000 0.529 681 D N 7.920 128.189 120.400 -0.218 0.000 2.358 681 D HA 0.076 4.689 4.640 -0.046 0.000 0.258 681 D C -1.869 174.397 176.300 -0.057 0.000 1.223 681 D CA -2.021 51.902 54.000 -0.128 0.000 0.886 681 D CB 1.532 42.214 40.800 -0.198 0.000 1.120 681 D HN 0.333 nan 8.370 nan 0.000 0.482 682 P HA -0.172 nan 4.420 nan 0.000 0.216 682 P C 1.007 178.126 177.300 -0.301 0.000 1.153 682 P CA 1.828 64.912 63.100 -0.028 0.000 0.858 682 P CB 0.099 31.906 31.700 0.178 0.000 0.789 683 A N -0.353 122.378 122.820 -0.149 0.000 1.940 683 A HA -0.217 4.075 4.320 -0.046 0.000 0.219 683 A C 2.222 179.598 177.584 -0.347 0.000 1.176 683 A CA 2.557 54.478 52.037 -0.194 0.000 0.631 683 A CB -2.031 16.940 19.000 -0.048 0.000 0.814 683 A HN 0.381 nan 8.150 nan 0.000 0.446 684 T N -3.000 111.383 114.554 -0.285 0.000 3.072 684 T HA 0.023 4.345 4.350 -0.046 0.000 0.266 684 T C 1.617 176.173 174.700 -0.240 0.000 1.127 684 T CA 1.252 63.203 62.100 -0.248 0.000 1.107 684 T CB -0.451 68.244 68.868 -0.289 0.000 0.910 684 T HN 0.409 nan 8.240 nan 0.000 0.513 685 M N 1.141 120.462 119.600 -0.466 0.000 2.476 685 M HA 0.115 4.567 4.480 -0.046 0.000 0.262 685 M C 0.915 176.725 176.300 -0.817 0.000 1.079 685 M CA 0.020 54.932 55.300 -0.647 0.000 1.104 685 M CB -0.528 31.537 32.600 -0.890 0.000 1.409 685 M HN 0.193 nan 8.290 nan 0.000 0.467 686 N N 1.141 119.323 118.700 -0.864 0.000 2.301 686 N HA -0.065 4.648 4.740 -0.046 0.000 0.267 686 N C -0.003 175.437 175.510 -0.117 0.000 1.304 686 N CA 0.574 53.448 53.050 -0.292 0.000 0.851 686 N CB 0.679 39.197 38.487 0.050 0.000 1.070 686 N HN -0.013 nan 8.380 nan 0.000 0.483 687 S N 2.652 118.296 115.700 -0.094 0.000 2.557 687 S HA 0.108 4.551 4.470 -0.046 0.000 0.223 687 S C -0.089 174.235 174.600 -0.461 0.000 0.969 687 S CA -0.485 57.596 58.200 -0.199 0.000 0.927 687 S CB -0.227 62.890 63.200 -0.137 0.000 0.806 687 S HN 0.754 nan 8.310 nan 0.000 0.489 688 N N 1.853 120.468 118.700 -0.141 0.000 2.721 688 N HA -0.209 4.503 4.740 -0.046 0.000 0.249 688 N C -0.573 175.009 175.510 0.120 0.000 1.072 688 N CA 0.788 53.903 53.050 0.110 0.000 0.710 688 N CB -1.885 36.772 38.487 0.284 0.000 0.993 688 N HN 0.693 nan 8.380 nan 0.000 0.547 689 H N -2.085 116.896 119.070 -0.149 0.000 2.492 689 H HA 0.123 4.651 4.556 -0.046 0.000 0.264 689 H C -0.240 175.024 175.328 -0.106 0.000 1.150 689 H CA -0.941 55.069 56.048 -0.065 0.000 0.962 689 H CB 0.002 29.719 29.762 -0.075 0.000 1.766 689 H HN 0.205 nan 8.280 nan 0.000 0.589 690 W N 3.047 124.483 121.300 0.226 0.000 2.476 690 W HA 0.109 4.741 4.660 -0.045 0.000 0.338 690 W C 0.479 177.009 176.519 0.018 0.000 1.328 690 W CA -0.117 57.283 57.345 0.090 0.000 1.300 690 W CB -0.058 29.443 29.460 0.068 0.000 1.252 690 W HN -0.011 nan 8.180 nan 0.000 0.568 691 V N -0.441 119.547 119.914 0.122 0.000 3.160 691 V HA 0.699 4.791 4.120 -0.046 0.000 0.310 691 V C 0.437 176.502 176.094 -0.047 0.000 1.181 691 V CA -0.909 61.401 62.300 0.018 0.000 1.047 691 V CB 1.669 33.464 31.823 -0.046 0.000 1.068 691 V HN 0.714 nan 8.190 nan 0.000 0.441 692 S N -0.598 115.039 115.700 -0.104 0.000 3.084 692 S HA -0.225 4.217 4.470 -0.046 0.000 0.277 692 S C 1.274 175.802 174.600 -0.120 0.000 1.295 692 S CA 1.376 59.489 58.200 -0.145 0.000 1.170 692 S CB -2.291 60.806 63.200 -0.171 0.000 1.412 692 S HN 1.952 nan 8.310 nan 0.000 0.669 693 S N 0.560 116.196 115.700 -0.108 0.000 2.515 693 S HA 0.121 4.564 4.470 -0.046 0.000 0.231 693 S C 1.036 175.567 174.600 -0.114 0.000 0.987 693 S CA 0.922 59.048 58.200 -0.124 0.000 0.936 693 S CB -0.373 62.713 63.200 -0.189 0.000 0.766 693 S HN 1.168 nan 8.310 nan 0.000 0.528 694 T N -1.227 113.261 114.554 -0.109 0.000 3.866 694 T HA 0.305 4.628 4.350 -0.046 0.000 0.241 694 T C -0.193 174.444 174.700 -0.104 0.000 1.017 694 T CA -0.473 61.572 62.100 -0.091 0.000 1.300 694 T CB 0.144 68.956 68.868 -0.092 0.000 0.968 694 T HN 0.088 nan 8.240 nan 0.000 0.595 695 T N 1.976 116.460 114.554 -0.116 0.000 2.937 695 T HA 0.357 4.679 4.350 -0.046 0.000 0.316 695 T C 0.525 175.126 174.700 -0.165 0.000 1.079 695 T CA -0.402 61.591 62.100 -0.178 0.000 1.131 695 T CB -0.023 68.735 68.868 -0.184 0.000 1.000 695 T HN 0.620 nan 8.240 nan 0.000 0.549 696 I N 2.999 123.398 120.570 -0.285 0.000 2.836 696 I HA 0.543 4.686 4.170 -0.046 0.000 0.285 696 I C 0.796 176.806 176.117 -0.179 0.000 1.174 696 I CA 0.902 62.038 61.300 -0.274 0.000 1.405 696 I CB 0.191 37.898 38.000 -0.488 0.000 1.385 696 I HN 0.882 nan 8.210 nan 0.000 0.594 697 G N 2.813 111.592 108.800 -0.033 0.000 2.348 697 G HA2 0.157 4.090 3.960 -0.046 0.000 0.296 697 G HA3 0.157 4.090 3.960 -0.046 0.000 0.296 697 G C -0.317 174.710 174.900 0.213 0.000 1.258 697 G CA 0.182 45.317 45.100 0.058 0.000 0.868 697 G HN 0.634 nan 8.290 nan 0.000 0.488 698 S N -1.768 114.036 115.700 0.174 0.000 2.512 698 S HA 0.556 4.998 4.470 -0.046 0.000 0.216 698 S C 0.771 175.429 174.600 0.098 0.000 1.006 698 S CA 1.036 59.352 58.200 0.192 0.000 0.915 698 S CB 0.412 63.672 63.200 0.099 0.000 0.824 698 S HN 1.699 nan 8.310 nan 0.000 0.497 699 S N 1.226 116.834 115.700 -0.154 0.000 2.533 699 S HA 0.550 4.992 4.470 -0.046 0.000 0.271 699 S C -2.779 171.299 174.600 -0.870 0.000 1.143 699 S CA -1.230 56.639 58.200 -0.551 0.000 0.891 699 S CB 1.822 64.874 63.200 -0.245 0.000 1.105 699 S HN -0.051 nan 8.310 nan 0.000 0.468 700 P HA -0.069 nan 4.420 nan 0.000 0.234 700 P C 1.144 178.276 177.300 -0.280 0.000 1.167 700 P CA 0.630 63.330 63.100 -0.666 0.000 0.763 700 P CB -0.174 31.244 31.700 -0.469 0.000 0.835 701 Q N 0.715 120.369 119.800 -0.243 0.000 2.291 701 Q HA -0.054 4.258 4.340 -0.046 0.000 0.205 701 Q C 1.110 177.053 176.000 -0.094 0.000 0.970 701 Q CA 1.782 57.506 55.803 -0.131 0.000 0.876 701 Q CB -0.375 28.301 28.738 -0.103 0.000 0.935 701 Q HN 0.262 nan 8.270 nan 0.000 0.455 702 S N -2.041 113.600 115.700 -0.098 0.000 2.820 702 S HA 0.665 5.108 4.470 -0.046 0.000 0.265 702 S C 0.051 174.630 174.600 -0.034 0.000 1.043 702 S CA -0.229 57.937 58.200 -0.058 0.000 1.245 702 S CB 1.179 64.348 63.200 -0.050 0.000 1.187 702 S HN 0.458 nan 8.310 nan 0.000 0.673 703 A N 0.260 123.074 122.820 -0.010 0.000 2.569 703 A HA 0.861 5.153 4.320 -0.046 0.000 0.290 703 A C 0.200 177.922 177.584 0.230 0.000 1.136 703 A CA -0.450 51.644 52.037 0.096 0.000 0.710 703 A CB 0.930 20.038 19.000 0.181 0.000 1.303 703 A HN 0.326 nan 8.150 nan 0.000 0.413 704 V N -0.397 119.645 119.914 0.214 0.000 3.307 704 V HA 0.186 4.278 4.120 -0.046 0.000 0.244 704 V C 0.518 176.643 176.094 0.052 0.000 1.196 704 V CA 1.193 63.612 62.300 0.199 0.000 1.132 704 V CB 0.768 32.616 31.823 0.042 0.000 0.875 704 V HN 1.136 nan 8.190 nan 0.000 0.468 705 V N -0.683 119.150 119.914 -0.136 0.000 2.864 705 V HA 0.760 4.852 4.120 -0.046 0.000 0.314 705 V C -0.751 175.005 176.094 -0.562 0.000 1.073 705 V CA -0.848 61.168 62.300 -0.474 0.000 0.956 705 V CB 1.961 33.643 31.823 -0.235 0.000 1.023 705 V HN 0.395 nan 8.190 nan 0.000 0.435 706 D N 1.918 121.882 120.400 -0.726 0.000 2.511 706 D HA 0.282 4.894 4.640 -0.046 0.000 0.276 706 D C 1.414 177.700 176.300 -0.023 0.000 1.220 706 D CA 0.159 53.962 54.000 -0.329 0.000 1.077 706 D CB 0.644 41.263 40.800 -0.301 0.000 1.126 706 D HN 0.803 nan 8.370 nan 0.000 0.583 707 S N -1.224 114.559 115.700 0.140 0.000 2.500 707 S HA -0.145 4.297 4.470 -0.046 0.000 0.239 707 S C 0.733 175.635 174.600 0.504 0.000 0.989 707 S CA 0.412 58.826 58.200 0.357 0.000 0.951 707 S CB -0.603 62.838 63.200 0.402 0.000 0.759 707 S HN 0.465 nan 8.310 nan 0.000 0.523 708 N N 1.741 120.625 118.700 0.306 0.000 2.251 708 N HA 0.150 4.862 4.740 -0.046 0.000 0.217 708 N C 0.792 176.544 175.510 0.404 0.000 1.124 708 N CA 0.725 53.978 53.050 0.340 0.000 0.843 708 N CB 0.835 39.496 38.487 0.290 0.000 1.024 708 N HN 0.636 nan 8.380 nan 0.000 0.501 709 V N -1.996 118.101 119.914 0.305 0.000 4.253 709 V HA -0.320 3.772 4.120 -0.046 0.000 0.233 709 V C 0.251 176.433 176.094 0.147 0.000 0.511 709 V CA 1.201 63.625 62.300 0.207 0.000 0.872 709 V CB -2.497 29.498 31.823 0.287 0.000 0.899 709 V HN 0.322 nan 8.190 nan 0.000 1.196 710 K N 0.291 120.644 120.400 -0.079 0.000 2.205 710 K HA 0.637 4.930 4.320 -0.046 0.000 0.279 710 K C 0.127 176.425 176.600 -0.503 0.000 1.027 710 K CA -0.438 55.528 56.287 -0.536 0.000 0.932 710 K CB 1.713 33.865 32.500 -0.580 0.000 1.032 710 K HN 0.406 nan 8.250 nan 0.000 0.466 711 V N 5.940 125.588 119.914 -0.442 0.000 2.485 711 V HA -0.017 4.075 4.120 -0.046 0.000 0.287 711 V C 0.047 175.990 176.094 -0.252 0.000 1.022 711 V CA 0.025 62.145 62.300 -0.299 0.000 1.067 711 V CB -0.621 31.101 31.823 -0.168 0.000 0.967 711 V HN 0.560 nan 8.190 nan 0.000 0.479 712 F N 3.683 123.592 119.950 -0.068 0.000 2.623 712 F HA 0.355 4.855 4.527 -0.045 0.000 0.386 712 F C 1.603 177.382 175.800 -0.036 0.000 1.068 712 F CA 1.412 59.386 58.000 -0.044 0.000 1.265 712 F CB -0.256 38.729 39.000 -0.025 0.000 1.026 712 F HN 0.793 nan 8.300 nan 0.000 0.568 713 G N 1.221 110.121 108.800 0.166 0.000 2.176 713 G HA2 -0.237 3.695 3.960 -0.046 0.000 0.253 713 G HA3 -0.237 3.695 3.960 -0.046 0.000 0.253 713 G C 0.167 175.089 174.900 0.036 0.000 0.979 713 G CA 0.165 45.320 45.100 0.091 0.000 0.641 713 G HN 1.056 nan 8.290 nan 0.000 0.530 714 T N -2.615 111.931 114.554 -0.014 0.000 2.912 714 T HA 0.659 4.982 4.350 -0.046 0.000 0.288 714 T C 0.998 175.650 174.700 -0.080 0.000 1.030 714 T CA -0.035 62.035 62.100 -0.051 0.000 1.020 714 T CB 1.708 70.519 68.868 -0.095 0.000 1.056 714 T HN -0.090 nan 8.240 nan 0.000 0.480 715 N N 1.636 120.306 118.700 -0.049 0.000 2.333 715 N HA 0.003 4.716 4.740 -0.046 0.000 0.178 715 N C 0.747 176.225 175.510 -0.054 0.000 1.018 715 N CA 0.862 53.894 53.050 -0.029 0.000 0.882 715 N CB -0.170 38.325 38.487 0.014 0.000 0.984 715 N HN 0.867 nan 8.380 nan 0.000 0.434 716 N N -0.709 117.937 118.700 -0.090 0.000 2.330 716 N HA 0.041 4.754 4.740 -0.046 0.000 0.249 716 N C -1.033 174.490 175.510 0.022 0.000 1.413 716 N CA -0.248 52.830 53.050 0.046 0.000 0.817 716 N CB -0.429 38.135 38.487 0.129 0.000 1.362 716 N HN -0.025 nan 8.380 nan 0.000 0.499 717 L N 0.964 122.021 121.223 -0.278 0.000 2.296 717 L HA 0.736 5.049 4.340 -0.046 0.000 0.286 717 L C -1.513 175.074 176.870 -0.472 0.000 1.023 717 L CA -0.416 54.323 54.840 -0.168 0.000 0.812 717 L CB 0.642 42.643 42.059 -0.096 0.000 1.223 717 L HN 0.009 nan 8.230 nan 0.000 0.421 718 F N 4.660 124.630 119.950 0.034 0.000 2.620 718 F HA 0.667 5.168 4.527 -0.042 0.000 0.320 718 F C -0.343 175.471 175.800 0.023 0.000 1.069 718 F CA -0.694 57.325 58.000 0.031 0.000 0.953 718 F CB 1.738 40.784 39.000 0.076 0.000 1.322 718 F HN 0.153 nan 8.300 nan 0.000 0.479 719 I N 1.918 122.613 120.570 0.208 0.000 2.499 719 I HA 0.491 4.634 4.170 -0.046 0.000 0.288 719 I C -1.329 174.864 176.117 0.127 0.000 1.048 719 I CA -0.844 60.526 61.300 0.117 0.000 1.062 719 I CB 2.132 40.151 38.000 0.032 0.000 1.238 719 I HN 0.185 nan 8.210 nan 0.000 0.426 720 V N 4.879 124.858 119.914 0.107 0.000 2.380 720 V HA 0.423 4.515 4.120 -0.046 0.000 0.268 720 V C -1.052 175.089 176.094 0.078 0.000 1.008 720 V CA -0.331 62.030 62.300 0.102 0.000 0.823 720 V CB 0.622 32.497 31.823 0.087 0.000 1.053 720 V HN 0.939 nan 8.190 nan 0.000 0.446 721 D N 2.962 123.408 120.400 0.077 0.000 2.792 721 D HA 0.459 5.071 4.640 -0.046 0.000 0.335 721 D C 0.891 177.234 176.300 0.071 0.000 1.353 721 D CA 0.036 54.080 54.000 0.073 0.000 0.839 721 D CB 1.339 42.178 40.800 0.065 0.000 1.396 721 D HN 0.199 nan 8.370 nan 0.000 0.479 722 A N -0.188 122.680 122.820 0.080 0.000 2.024 722 A HA 0.143 4.436 4.320 -0.046 0.000 0.220 722 A C 2.041 179.637 177.584 0.020 0.000 1.164 722 A CA 2.258 54.341 52.037 0.076 0.000 0.643 722 A CB -1.558 17.516 19.000 0.123 0.000 0.806 722 A HN 0.742 nan 8.150 nan 0.000 0.451 723 G N 0.969 109.767 108.800 -0.003 0.000 2.475 723 G HA2 -0.258 3.674 3.960 -0.046 0.000 0.220 723 G HA3 -0.258 3.674 3.960 -0.046 0.000 0.220 723 G C 1.472 176.312 174.900 -0.099 0.000 1.125 723 G CA 1.218 46.283 45.100 -0.058 0.000 0.755 723 G HN 0.926 nan 8.290 nan 0.000 0.565 724 I N -1.285 119.231 120.570 -0.091 0.000 2.676 724 I HA 0.219 4.361 4.170 -0.046 0.000 0.259 724 I C 0.827 176.744 176.117 -0.333 0.000 1.194 724 I CA -0.015 61.180 61.300 -0.174 0.000 1.473 724 I CB -0.155 37.772 38.000 -0.122 0.000 1.096 724 I HN -0.089 nan 8.210 nan 0.000 0.443 725 I N 4.223 124.645 120.570 -0.246 0.000 2.668 725 I HA 0.036 4.178 4.170 -0.046 0.000 0.285 725 I C -1.106 174.731 176.117 -0.466 0.000 1.168 725 I CA -0.951 60.125 61.300 -0.374 0.000 1.424 725 I CB 0.410 38.355 38.000 -0.091 0.000 1.377 725 I HN 0.072 nan 8.210 nan 0.000 0.560 726 P HA -0.085 nan 4.420 nan 0.000 0.235 726 P C 0.089 177.231 177.300 -0.265 0.000 1.177 726 P CA 1.257 64.049 63.100 -0.514 0.000 0.785 726 P CB 0.446 31.723 31.700 -0.706 0.000 0.885 727 H N -0.844 118.045 119.070 -0.302 0.000 3.079 727 H HA 0.265 4.794 4.556 -0.046 0.000 0.356 727 H C -0.619 174.635 175.328 -0.124 0.000 1.221 727 H CA -0.788 55.154 56.048 -0.177 0.000 1.185 727 H CB 1.087 30.766 29.762 -0.139 0.000 1.882 727 H HN -0.228 nan 8.280 nan 0.000 0.543 728 L N 5.470 126.582 121.223 -0.185 0.000 2.559 728 L HA 0.040 4.353 4.340 -0.046 0.000 0.282 728 L C -1.697 175.281 176.870 0.180 0.000 1.232 728 L CA -0.906 53.943 54.840 0.015 0.000 0.885 728 L CB 0.085 42.128 42.059 -0.027 0.000 1.131 728 L HN 0.429 nan 8.230 nan 0.000 0.498 729 P HA 0.127 nan 4.420 nan 0.000 0.279 729 P C 0.301 177.583 177.300 -0.029 0.000 1.282 729 P CA -0.472 62.617 63.100 -0.019 0.000 0.788 729 P CB 0.689 32.350 31.700 -0.066 0.000 1.139 730 T N -0.977 113.496 114.554 -0.135 0.000 2.708 730 T HA 0.010 4.333 4.350 -0.046 0.000 0.266 730 T C 1.227 175.903 174.700 -0.040 0.000 1.037 730 T CA 1.797 63.783 62.100 -0.189 0.000 1.146 730 T CB -0.769 67.791 68.868 -0.514 0.000 0.865 730 T HN 0.650 nan 8.240 nan 0.000 0.435 731 G N 0.651 109.399 108.800 -0.088 0.000 2.642 731 G HA2 0.481 4.414 3.960 -0.046 0.000 0.291 731 G HA3 0.481 4.414 3.960 -0.046 0.000 0.291 731 G C -0.688 174.285 174.900 0.121 0.000 1.345 731 G CA -0.987 44.165 45.100 0.087 0.000 1.043 731 G HN 0.271 nan 8.290 nan 0.000 0.528 732 N N 1.225 120.081 118.700 0.260 0.000 2.356 732 N HA 0.116 4.828 4.740 -0.046 0.000 0.252 732 N C -1.555 173.918 175.510 -0.061 0.000 1.241 732 N CA -0.473 52.535 53.050 -0.070 0.000 0.861 732 N CB 1.114 39.662 38.487 0.101 0.000 1.075 732 N HN 0.215 nan 8.380 nan 0.000 0.461 733 P HA -0.116 nan 4.420 nan 0.000 0.245 733 P C 0.687 177.999 177.300 0.020 0.000 1.206 733 P CA 0.686 63.729 63.100 -0.095 0.000 0.781 733 P CB 0.243 31.866 31.700 -0.128 0.000 0.994 734 Q N 0.174 120.000 119.800 0.043 0.000 2.170 734 Q HA -0.085 4.227 4.340 -0.046 0.000 0.203 734 Q C 2.165 178.277 176.000 0.187 0.000 0.976 734 Q CA 1.990 57.861 55.803 0.114 0.000 0.858 734 Q CB -1.548 27.257 28.738 0.111 0.000 0.907 734 Q HN 0.104 nan 8.270 nan 0.000 0.433 735 G N 0.511 109.432 108.800 0.202 0.000 2.422 735 G HA2 -0.226 3.707 3.960 -0.046 0.000 0.218 735 G HA3 -0.226 3.707 3.960 -0.046 0.000 0.218 735 G C 1.346 176.379 174.900 0.222 0.000 1.146 735 G CA 1.214 46.450 45.100 0.227 0.000 0.769 735 G HN 0.408 nan 8.290 nan 0.000 0.547 736 T N 0.978 115.637 114.554 0.175 0.000 2.737 736 T HA -0.088 4.234 4.350 -0.046 0.000 0.265 736 T C 2.233 177.093 174.700 0.267 0.000 1.038 736 T CA 1.110 63.329 62.100 0.199 0.000 1.144 736 T CB -0.233 68.663 68.868 0.046 0.000 0.866 736 T HN 0.136 nan 8.240 nan 0.000 0.434 737 L N 1.082 122.423 121.223 0.197 0.000 2.012 737 L HA 0.016 4.329 4.340 -0.046 0.000 0.210 737 L C 2.260 179.253 176.870 0.204 0.000 1.073 737 L CA 1.854 56.814 54.840 0.200 0.000 0.748 737 L CB -0.672 41.474 42.059 0.146 0.000 0.891 737 L HN 0.260 nan 8.230 nan 0.000 0.431 738 M N -1.651 118.062 119.600 0.188 0.000 2.229 738 M HA -0.155 4.297 4.480 -0.046 0.000 0.264 738 M C 2.463 178.861 176.300 0.163 0.000 1.063 738 M CA 1.618 57.003 55.300 0.141 0.000 1.114 738 M CB -0.419 32.282 32.600 0.169 0.000 1.387 738 M HN 0.453 nan 8.290 nan 0.000 0.420 739 S N 0.625 116.464 115.700 0.231 0.000 2.368 739 S HA -0.104 4.338 4.470 -0.046 0.000 0.225 739 S C 2.018 176.712 174.600 0.157 0.000 1.030 739 S CA 1.390 59.705 58.200 0.192 0.000 0.999 739 S CB -0.134 63.187 63.200 0.200 0.000 0.844 739 S HN 0.490 nan 8.310 nan 0.000 0.459 740 A N 1.230 124.260 122.820 0.352 0.000 1.940 740 A HA 0.157 4.449 4.320 -0.046 0.000 0.219 740 A C 2.426 180.184 177.584 0.290 0.000 1.176 740 A CA 1.896 54.203 52.037 0.449 0.000 0.631 740 A CB -1.270 18.096 19.000 0.609 0.000 0.814 740 A HN 0.770 nan 8.150 nan 0.000 0.446 741 A N -0.567 122.352 122.820 0.166 0.000 1.930 741 A HA -0.107 4.186 4.320 -0.046 0.000 0.217 741 A C 1.963 179.533 177.584 -0.023 0.000 1.175 741 A CA 1.475 53.550 52.037 0.064 0.000 0.627 741 A CB -0.385 18.607 19.000 -0.014 0.000 0.815 741 A HN 0.478 nan 8.150 nan 0.000 0.443 742 E N -0.373 119.813 120.200 -0.023 0.000 2.038 742 E HA -0.277 4.046 4.350 -0.046 0.000 0.195 742 E C 2.177 178.639 176.600 -0.230 0.000 1.000 742 E CA 1.714 58.104 56.400 -0.018 0.000 0.803 742 E CB -0.384 29.395 29.700 0.131 0.000 0.750 742 E HN 0.834 nan 8.360 nan 0.000 0.448 743 Q N 0.318 119.787 119.800 -0.552 0.000 2.084 743 Q HA -0.148 4.165 4.340 -0.046 0.000 0.202 743 Q C 2.079 177.600 176.000 -0.798 0.000 0.978 743 Q CA 1.726 56.740 55.803 -1.315 0.000 0.844 743 Q CB -0.125 27.713 28.738 -1.500 0.000 0.898 743 Q HN 0.241 nan 8.270 nan 0.000 0.426 744 A N 0.684 123.345 122.820 -0.266 0.000 1.883 744 A HA -0.176 4.116 4.320 -0.046 0.000 0.217 744 A C 2.306 179.835 177.584 -0.092 0.000 1.186 744 A CA 1.856 53.920 52.037 0.045 0.000 0.624 744 A CB -1.203 17.947 19.000 0.250 0.000 0.822 744 A HN 0.572 nan 8.150 nan 0.000 0.444 745 A N -0.259 122.484 122.820 -0.128 0.000 1.908 745 A HA 0.128 4.420 4.320 -0.046 0.000 0.218 745 A C 2.507 179.997 177.584 -0.157 0.000 1.181 745 A CA 2.242 54.188 52.037 -0.151 0.000 0.627 745 A CB -1.013 17.907 19.000 -0.133 0.000 0.818 745 A HN 1.098 nan 8.150 nan 0.000 0.445 746 A N -0.197 122.517 122.820 -0.177 0.000 1.902 746 A HA -0.139 4.154 4.320 -0.046 0.000 0.217 746 A C 2.110 179.609 177.584 -0.142 0.000 1.181 746 A CA 1.660 53.620 52.037 -0.128 0.000 0.623 746 A CB -0.377 18.584 19.000 -0.065 0.000 0.818 746 A HN 0.443 nan 8.150 nan 0.000 0.443 747 K N -0.309 119.965 120.400 -0.211 0.000 2.057 747 K HA -0.086 4.207 4.320 -0.046 0.000 0.207 747 K C 1.864 178.438 176.600 -0.043 0.000 1.049 747 K CA 1.427 57.642 56.287 -0.119 0.000 0.931 747 K CB -0.475 31.965 32.500 -0.100 0.000 0.714 747 K HN 0.590 nan 8.250 nan 0.000 0.440 748 I N 1.159 121.677 120.570 -0.086 0.000 2.252 748 I HA -0.267 3.875 4.170 -0.046 0.000 0.245 748 I C 2.335 178.397 176.117 -0.092 0.000 1.102 748 I CA 1.026 62.230 61.300 -0.160 0.000 1.385 748 I CB -0.253 37.545 38.000 -0.338 0.000 1.064 748 I HN 0.052 nan 8.210 nan 0.000 0.414 749 L N 0.415 121.588 121.223 -0.083 0.000 2.131 749 L HA -0.165 4.148 4.340 -0.046 0.000 0.210 749 L C 2.594 179.463 176.870 -0.002 0.000 1.092 749 L CA 1.206 56.027 54.840 -0.033 0.000 0.759 749 L CB -0.521 41.508 42.059 -0.051 0.000 0.903 749 L HN 0.235 nan 8.230 nan 0.000 0.435 750 A N -0.688 122.126 122.820 -0.010 0.000 2.169 750 A HA 0.037 4.330 4.320 -0.046 0.000 0.212 750 A C 0.943 178.546 177.584 0.032 0.000 1.153 750 A CA -0.017 52.024 52.037 0.007 0.000 0.756 750 A CB -0.222 18.774 19.000 -0.006 0.000 0.813 750 A HN 0.203 nan 8.150 nan 0.000 0.471 751 L N 1.337 122.589 121.223 0.048 0.000 2.385 751 L HA 0.531 4.844 4.340 -0.046 0.000 0.281 751 L C 0.605 177.526 176.870 0.085 0.000 1.106 751 L CA -0.421 54.471 54.840 0.087 0.000 0.856 751 L CB 0.003 42.149 42.059 0.145 0.000 1.186 751 L HN 0.273 nan 8.230 nan 0.000 0.453 752 A N 4.064 126.930 122.820 0.075 0.000 2.531 752 A HA 0.461 4.753 4.320 -0.046 0.000 0.236 752 A C 1.339 178.968 177.584 0.074 0.000 1.062 752 A CA 0.455 52.531 52.037 0.064 0.000 0.760 752 A CB -0.390 18.642 19.000 0.054 0.000 0.995 752 A HN 1.872 nan 8.150 nan 0.000 0.501 753 G N 0.862 109.699 108.800 0.061 0.000 2.159 753 G HA2 0.070 4.003 3.960 -0.046 0.000 0.227 753 G HA3 0.070 4.003 3.960 -0.046 0.000 0.227 753 G C 0.793 175.728 174.900 0.057 0.000 0.986 753 G CA 0.416 45.551 45.100 0.059 0.000 0.651 753 G HN 1.871 nan 8.290 nan 0.000 0.523 754 G N 0.050 108.884 108.800 0.057 0.000 2.557 754 G HA2 0.763 4.695 3.960 -0.046 0.000 0.292 754 G HA3 0.763 4.695 3.960 -0.046 0.000 0.292 754 G C -1.501 173.404 174.900 0.009 0.000 1.237 754 G CA -0.425 44.695 45.100 0.034 0.000 0.978 754 G HN 0.297 nan 8.290 nan 0.000 0.498 755 P HA 0.000 nan 4.420 nan 0.000 0.216 755 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 755 P CB 0.000 31.628 31.700 -0.120 0.000 0.726