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 1kdg_1_B DATA FIRST_RESID 210 DATA SEQUENCE PTVSATPYDY IIVGAGPGGI IAADRLSEAG KKVLLLERGG PSTKQTGGTY DATA SEQUENCE VAPWATSSGL TKFDIPGLFE SLFTDSNPFW WcKDITVFAG cLVGGGTSVN DATA SEQUENCE GALYWYPNDG DFSSSVGWPS SWTNHAPYTS KLSSRLPSTD HPSTDGQRYL DATA SEQUENCE EQSFNVVSQL LKGQGYNQAT INDNPNYKDH VFGYSAFDFL NGKRAGPVAT DATA SEQUENCE YLQTALARPN FTFKTNVMVS NVVRNGSQIL GVQTNDPTLG PNGFIPVTPK DATA SEQUENCE GRVILSAGAF GTSRILFQSG IGPTDMIQTV QSNPTAAAAL PPQNQWINLP DATA SEQUENCE VGMNAQDNPS INLVFTHPSI DAYENWADVW SNPRPADAAQ YLANQSGVFA DATA SEQUENCE GASPKLNFWR AYSGSDGFTR YAQGTVRPGA ASVNSSLPYN ASQIFTITVY DATA SEQUENCE LSTGIQSRGR IGIDAALRGT VLTPPWLVNP VDKTVLLQAL HDVVSNIGSI DATA SEQUENCE PGLTMITPDV TQTLEEYVDA YDPATMNSNH WVSSTTIGSS PQSAVVDSNV DATA SEQUENCE KVFGTNNLFI VDAGIIPHLP TGNPQGTLMS AAEQAAAKIL ALAGGP 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 210 P HA 0.000 nan 4.420 nan 0.000 0.216 210 P C 0.000 177.316 177.300 0.027 0.000 1.155 210 P CA 0.000 63.115 63.100 0.025 0.000 0.800 210 P CB 0.000 31.719 31.700 0.032 0.000 0.726 211 T N -3.431 111.138 114.554 0.025 0.000 3.023 211 T HA 0.206 4.556 4.350 -0.000 0.000 0.253 211 T C 0.718 175.433 174.700 0.026 0.000 1.038 211 T CA -0.021 62.093 62.100 0.023 0.000 0.962 211 T CB 0.001 68.879 68.868 0.017 0.000 1.018 211 T HN 0.237 nan 8.240 nan 0.000 0.521 212 V N 2.867 122.800 119.914 0.031 0.000 2.529 212 V HA 0.304 4.424 4.120 -0.000 0.000 0.292 212 V C 0.594 176.710 176.094 0.036 0.000 1.028 212 V CA -0.264 62.054 62.300 0.030 0.000 1.074 212 V CB 0.948 32.790 31.823 0.032 0.000 0.958 212 V HN 0.488 nan 8.190 nan 0.000 0.481 213 S N 4.725 120.440 115.700 0.025 0.000 2.422 213 S HA 0.673 5.143 4.470 -0.000 0.000 0.298 213 S C 0.147 174.754 174.600 0.012 0.000 1.118 213 S CA -0.378 57.835 58.200 0.023 0.000 1.083 213 S CB 0.578 63.785 63.200 0.012 0.000 0.971 213 S HN 1.039 nan 8.310 nan 0.000 0.478 214 A N 4.386 127.213 122.820 0.011 0.000 2.322 214 A HA 0.577 4.897 4.320 -0.000 0.000 0.269 214 A C 0.504 178.061 177.584 -0.046 0.000 1.094 214 A CA -0.436 51.596 52.037 -0.009 0.000 0.807 214 A CB 0.158 19.141 19.000 -0.029 0.000 1.047 214 A HN 0.727 nan 8.150 nan 0.000 0.487 215 T N 4.520 119.034 114.554 -0.067 0.000 2.814 215 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 215 T C -2.287 172.221 174.700 -0.320 0.000 0.956 215 T CA -0.362 61.606 62.100 -0.220 0.000 1.123 215 T CB 0.454 69.143 68.868 -0.298 0.000 0.902 215 T HN 0.547 nan 8.240 nan 0.000 0.528 216 P HA 0.370 nan 4.420 nan 0.000 0.282 216 P C -1.343 175.696 177.300 -0.435 0.000 1.249 216 P CA -0.545 62.417 63.100 -0.230 0.000 0.806 216 P CB 0.692 32.316 31.700 -0.127 0.000 0.984 217 Y N -0.310 119.963 120.300 -0.044 0.000 2.524 217 Y HA 0.217 4.767 4.550 -0.000 0.000 0.344 217 Y C 1.541 177.420 175.900 -0.036 0.000 1.012 217 Y CA -0.399 57.691 58.100 -0.017 0.000 1.068 217 Y CB 1.200 39.661 38.460 0.002 0.000 1.249 217 Y HN 0.248 nan 8.280 nan 0.000 0.468 218 D N 0.581 121.058 120.400 0.128 0.000 2.144 218 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 218 D C -0.640 175.489 176.300 -0.284 0.000 0.978 218 D CA 1.902 55.877 54.000 -0.042 0.000 0.833 218 D CB 0.094 40.939 40.800 0.074 0.000 0.961 218 D HN 0.396 nan 8.370 nan 0.000 0.470 219 Y N -0.716 119.661 120.300 0.128 0.000 2.386 219 Y HA 0.429 4.979 4.550 -0.000 0.000 0.334 219 Y C -0.293 175.647 175.900 0.066 0.000 1.002 219 Y CA -0.689 57.460 58.100 0.082 0.000 1.068 219 Y CB 1.897 40.386 38.460 0.049 0.000 1.203 219 Y HN -0.312 nan 8.280 nan 0.000 0.443 220 I N 5.422 126.093 120.570 0.169 0.000 2.362 220 I HA 0.451 4.620 4.170 -0.000 0.000 0.289 220 I C -0.778 175.397 176.117 0.098 0.000 0.994 220 I CA -0.492 60.840 61.300 0.054 0.000 1.158 220 I CB 1.162 39.167 38.000 0.009 0.000 1.315 220 I HN 0.459 nan 8.210 nan 0.000 0.451 221 I N 6.848 127.464 120.570 0.076 0.000 2.406 221 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 221 I C -0.551 175.610 176.117 0.073 0.000 0.999 221 I CA -0.887 60.469 61.300 0.093 0.000 1.124 221 I CB 2.120 40.178 38.000 0.096 0.000 1.289 221 I HN 0.163 nan 8.210 nan 0.000 0.441 222 V N 5.285 125.242 119.914 0.072 0.000 2.294 222 V HA 0.771 4.891 4.120 -0.000 0.000 0.272 222 V C 0.360 176.496 176.094 0.071 0.000 1.027 222 V CA -0.442 61.896 62.300 0.062 0.000 0.823 222 V CB 0.612 32.465 31.823 0.049 0.000 1.030 222 V HN 1.066 nan 8.190 nan 0.000 0.457 223 G N 4.031 112.885 108.800 0.090 0.000 3.438 223 G HA2 0.292 4.252 3.960 -0.000 0.000 0.684 223 G HA3 0.292 4.252 3.960 -0.000 0.000 0.684 223 G C -0.224 174.744 174.900 0.113 0.000 1.192 223 G CA -0.367 44.793 45.100 0.099 0.000 1.013 223 G HN 1.342 nan 8.290 nan 0.000 0.530 224 A N 1.775 124.684 122.820 0.149 0.000 3.258 224 A HA 0.755 5.075 4.320 -0.000 0.000 0.275 224 A C 1.345 178.984 177.584 0.091 0.000 1.452 224 A CA 1.063 53.179 52.037 0.132 0.000 1.120 224 A CB -0.312 18.841 19.000 0.255 0.000 1.107 224 A HN 2.009 nan 8.150 nan 0.000 0.651 225 G N 0.179 109.025 108.800 0.077 0.000 2.531 225 G HA2 0.482 4.442 3.960 -0.000 0.000 0.281 225 G HA3 0.482 4.442 3.960 -0.000 0.000 0.281 225 G C -0.991 173.929 174.900 0.034 0.000 1.382 225 G CA -0.906 44.237 45.100 0.072 0.000 1.045 225 G HN 0.160 nan 8.290 nan 0.000 0.533 226 P HA -0.092 nan 4.420 nan 0.000 0.215 226 P C 1.894 179.168 177.300 -0.045 0.000 1.153 226 P CA 1.856 64.951 63.100 -0.008 0.000 0.853 226 P CB -0.160 31.559 31.700 0.032 0.000 0.788 227 G N 0.185 108.988 108.800 0.005 0.000 2.421 227 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 227 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 227 G C 1.917 176.801 174.900 -0.027 0.000 1.171 227 G CA 1.006 46.107 45.100 0.003 0.000 0.775 227 G HN 0.381 nan 8.290 nan 0.000 0.543 228 G N 0.862 109.660 108.800 -0.003 0.000 2.402 228 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.216 228 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.216 228 G C 1.793 176.667 174.900 -0.043 0.000 1.162 228 G CA 0.770 45.871 45.100 0.001 0.000 0.777 228 G HN 0.431 nan 8.290 nan 0.000 0.539 229 I N 0.441 120.967 120.570 -0.074 0.000 2.179 229 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 229 I C 2.674 178.676 176.117 -0.193 0.000 1.088 229 I CA 0.840 62.061 61.300 -0.131 0.000 1.357 229 I CB -0.180 37.750 38.000 -0.116 0.000 1.051 229 I HN 0.139 nan 8.210 nan 0.000 0.409 230 I N 0.682 121.076 120.570 -0.292 0.000 2.179 230 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 230 I C 2.814 178.797 176.117 -0.224 0.000 1.088 230 I CA 1.345 62.371 61.300 -0.457 0.000 1.357 230 I CB -0.475 37.167 38.000 -0.598 0.000 1.051 230 I HN 0.191 nan 8.210 nan 0.000 0.409 231 A N 0.783 123.505 122.820 -0.164 0.000 1.908 231 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 231 A C 2.532 180.022 177.584 -0.156 0.000 1.181 231 A CA 2.076 54.027 52.037 -0.142 0.000 0.627 231 A CB -0.894 18.046 19.000 -0.102 0.000 0.818 231 A HN 0.451 nan 8.150 nan 0.000 0.445 232 A N -0.315 122.430 122.820 -0.125 0.000 1.902 232 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 232 A C 1.851 179.297 177.584 -0.231 0.000 1.181 232 A CA 2.164 54.137 52.037 -0.107 0.000 0.623 232 A CB -0.652 18.331 19.000 -0.027 0.000 0.818 232 A HN 0.566 nan 8.150 nan 0.000 0.443 233 D N -0.841 119.422 120.400 -0.229 0.000 2.084 233 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 233 D C 2.151 178.381 176.300 -0.118 0.000 0.985 233 D CA 1.140 55.023 54.000 -0.195 0.000 0.826 233 D CB -0.033 40.764 40.800 -0.005 0.000 0.978 233 D HN 0.143 nan 8.370 nan 0.000 0.456 234 R N -0.070 120.383 120.500 -0.079 0.000 2.115 234 R HA 0.020 4.360 4.340 -0.000 0.000 0.230 234 R C 2.487 178.716 176.300 -0.118 0.000 1.111 234 R CA 0.443 56.502 56.100 -0.068 0.000 0.976 234 R CB -0.866 29.404 30.300 -0.050 0.000 0.870 234 R HN 0.369 nan 8.270 nan 0.000 0.445 235 L N 0.799 121.912 121.223 -0.183 0.000 2.109 235 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 235 L C 2.423 179.226 176.870 -0.111 0.000 1.086 235 L CA 1.470 56.164 54.840 -0.243 0.000 0.760 235 L CB -0.492 41.259 42.059 -0.513 0.000 0.910 235 L HN 0.218 nan 8.230 nan 0.000 0.437 236 S N -0.976 114.680 115.700 -0.074 0.000 2.428 236 S HA -0.214 4.256 4.470 -0.000 0.000 0.230 236 S C 1.799 176.388 174.600 -0.018 0.000 1.014 236 S CA 0.999 59.199 58.200 0.000 0.000 0.957 236 S CB -0.273 62.931 63.200 0.007 0.000 0.784 236 S HN 0.454 nan 8.310 nan 0.000 0.499 237 E N 1.640 121.808 120.200 -0.053 0.000 2.153 237 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 237 E C 1.850 178.437 176.600 -0.022 0.000 0.988 237 E CA 0.953 57.329 56.400 -0.040 0.000 0.811 237 E CB -0.364 29.308 29.700 -0.047 0.000 0.746 237 E HN 0.720 nan 8.360 nan 0.000 0.466 238 A N -0.263 122.542 122.820 -0.024 0.000 2.238 238 A HA 0.217 4.537 4.320 -0.000 0.000 0.208 238 A C 1.632 179.226 177.584 0.016 0.000 1.177 238 A CA 0.956 52.987 52.037 -0.010 0.000 0.804 238 A CB -0.277 18.709 19.000 -0.022 0.000 0.823 238 A HN 0.460 nan 8.150 nan 0.000 0.482 239 G N -0.879 107.938 108.800 0.027 0.000 2.157 239 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.239 239 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.239 239 G C 0.098 175.046 174.900 0.080 0.000 0.982 239 G CA 0.213 45.342 45.100 0.049 0.000 0.650 239 G HN 0.399 nan 8.290 nan 0.000 0.527 240 K N 0.452 120.914 120.400 0.102 0.000 2.202 240 K HA 0.347 4.667 4.320 -0.000 0.000 0.264 240 K C 0.400 177.121 176.600 0.200 0.000 1.010 240 K CA -0.574 55.817 56.287 0.173 0.000 0.940 240 K CB 1.062 33.722 32.500 0.266 0.000 0.983 240 K HN 0.291 nan 8.250 nan 0.000 0.475 241 K N 2.045 122.574 120.400 0.215 0.000 2.262 241 K HA 0.168 4.488 4.320 -0.000 0.000 0.288 241 K C -0.930 175.894 176.600 0.372 0.000 1.090 241 K CA -0.256 56.174 56.287 0.238 0.000 0.918 241 K CB 0.298 32.882 32.500 0.139 0.000 1.139 241 K HN 0.210 nan 8.250 nan 0.000 0.462 242 V N 5.610 125.742 119.914 0.363 0.000 2.513 242 V HA 0.377 4.497 4.120 -0.000 0.000 0.299 242 V C -0.765 175.384 176.094 0.091 0.000 1.035 242 V CA -1.069 61.422 62.300 0.318 0.000 0.889 242 V CB 1.553 33.584 31.823 0.346 0.000 0.988 242 V HN 0.594 nan 8.190 nan 0.000 0.440 243 L N 5.746 126.872 121.223 -0.162 0.000 2.325 243 L HA 0.708 5.048 4.340 -0.000 0.000 0.281 243 L C -1.031 175.728 176.870 -0.185 0.000 1.004 243 L CA -0.347 54.194 54.840 -0.500 0.000 0.823 243 L CB 1.494 42.913 42.059 -1.067 0.000 1.236 243 L HN 0.622 nan 8.230 nan 0.000 0.415 244 L N 6.015 127.167 121.223 -0.119 0.000 2.313 244 L HA 0.643 4.982 4.340 -0.000 0.000 0.283 244 L C -1.452 175.515 176.870 0.161 0.000 1.013 244 L CA -0.139 54.766 54.840 0.108 0.000 0.816 244 L CB 1.338 43.560 42.059 0.272 0.000 1.236 244 L HN 0.598 nan 8.230 nan 0.000 0.419 245 L N 4.030 125.322 121.223 0.115 0.000 2.334 245 L HA 0.698 5.038 4.340 -0.000 0.000 0.276 245 L C -0.792 176.150 176.870 0.119 0.000 1.014 245 L CA -0.701 54.174 54.840 0.058 0.000 0.815 245 L CB 1.976 44.031 42.059 -0.005 0.000 1.268 245 L HN 0.586 nan 8.230 nan 0.000 0.428 246 E N 1.390 121.624 120.200 0.057 0.000 2.263 246 E HA 0.284 4.634 4.350 -0.000 0.000 0.268 246 E C 0.206 176.808 176.600 0.004 0.000 0.884 246 E CA -0.737 55.708 56.400 0.076 0.000 0.766 246 E CB 1.462 31.250 29.700 0.146 0.000 1.196 246 E HN 0.528 nan 8.360 nan 0.000 0.416 247 R N 2.502 123.018 120.500 0.027 0.000 2.115 247 R HA 0.189 4.529 4.340 -0.000 0.000 0.226 247 R C 0.945 177.249 176.300 0.006 0.000 1.100 247 R CA 0.940 57.048 56.100 0.013 0.000 0.980 247 R CB -0.160 30.158 30.300 0.030 0.000 0.875 247 R HN 0.316 nan 8.270 nan 0.000 0.445 248 G N -0.098 108.715 108.800 0.022 0.000 2.532 248 G HA2 0.491 4.451 3.960 -0.000 0.000 0.291 248 G HA3 0.491 4.451 3.960 -0.000 0.000 0.291 248 G C -0.439 174.455 174.900 -0.009 0.000 1.349 248 G CA -0.400 44.714 45.100 0.024 0.000 1.038 248 G HN 0.334 nan 8.290 nan 0.000 0.518 249 G N -1.347 107.454 108.800 0.001 0.000 2.795 249 G HA2 0.631 4.591 3.960 -0.000 0.000 0.267 249 G HA3 0.631 4.591 3.960 -0.000 0.000 0.267 249 G C -2.752 172.142 174.900 -0.010 0.000 1.362 249 G CA -1.219 43.867 45.100 -0.025 0.000 1.048 249 G HN 0.480 nan 8.290 nan 0.000 0.547 250 P HA 0.095 nan 4.420 nan 0.000 0.268 250 P C 0.325 177.623 177.300 -0.004 0.000 1.208 250 P CA 0.226 63.337 63.100 0.018 0.000 0.777 250 P CB 1.289 33.010 31.700 0.036 0.000 0.875 251 S N 0.068 115.739 115.700 -0.050 0.000 3.128 251 S HA 0.195 4.665 4.470 -0.000 0.000 0.171 251 S C 0.569 175.234 174.600 0.110 0.000 0.707 251 S CA 0.186 58.235 58.200 -0.252 0.000 0.851 251 S CB -1.049 61.912 63.200 -0.399 0.000 0.872 251 S HN 0.513 nan 8.310 nan 0.000 0.724 252 T N 0.013 114.631 114.554 0.106 0.000 2.766 252 T HA 0.342 4.692 4.350 -0.000 0.000 0.295 252 T C 0.911 175.685 174.700 0.125 0.000 1.024 252 T CA -0.265 61.933 62.100 0.164 0.000 1.018 252 T CB 0.633 69.566 68.868 0.108 0.000 1.002 252 T HN 0.533 nan 8.240 nan 0.000 0.532 253 K N 0.557 121.017 120.400 0.100 0.000 2.044 253 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 253 K C 2.428 179.064 176.600 0.061 0.000 1.049 253 K CA 2.111 58.440 56.287 0.070 0.000 0.927 253 K CB -0.315 32.208 32.500 0.038 0.000 0.713 253 K HN 0.875 nan 8.250 nan 0.000 0.443 254 Q N -0.249 119.585 119.800 0.057 0.000 2.364 254 Q HA -0.087 4.253 4.340 -0.000 0.000 0.207 254 Q C 1.247 177.290 176.000 0.072 0.000 0.970 254 Q CA 1.604 57.440 55.803 0.054 0.000 0.888 254 Q CB -0.191 28.574 28.738 0.046 0.000 0.951 254 Q HN 0.329 nan 8.270 nan 0.000 0.469 255 T N -4.110 110.494 114.554 0.084 0.000 3.107 255 T HA 0.410 4.759 4.350 -0.000 0.000 0.249 255 T C 1.238 175.988 174.700 0.084 0.000 1.096 255 T CA 0.348 62.511 62.100 0.105 0.000 1.012 255 T CB 0.549 69.488 68.868 0.118 0.000 0.977 255 T HN 0.591 nan 8.240 nan 0.000 0.527 256 G N 0.284 109.126 108.800 0.070 0.000 2.163 256 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.213 256 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.213 256 G C 0.377 175.316 174.900 0.065 0.000 0.991 256 G CA -0.353 44.780 45.100 0.055 0.000 0.653 256 G HN 0.976 nan 8.290 nan 0.000 0.518 257 G N -0.111 108.747 108.800 0.096 0.000 2.442 257 G HA2 0.559 4.519 3.960 -0.000 0.000 0.249 257 G HA3 0.559 4.519 3.960 -0.000 0.000 0.249 257 G C 0.902 175.892 174.900 0.150 0.000 1.263 257 G CA 1.068 46.258 45.100 0.151 0.000 0.846 257 G HN 1.299 nan 8.290 nan 0.000 0.555 258 T N -1.491 113.172 114.554 0.182 0.000 3.209 258 T HA 0.130 4.479 4.350 -0.000 0.000 0.295 258 T C -0.191 174.651 174.700 0.237 0.000 0.977 258 T CA -0.346 61.844 62.100 0.151 0.000 0.922 258 T CB -0.133 68.791 68.868 0.094 0.000 1.152 258 T HN 0.342 nan 8.240 nan 0.000 0.527 259 Y N 2.676 123.092 120.300 0.193 0.000 2.650 259 Y HA 0.595 5.144 4.550 -0.001 0.000 0.343 259 Y C -0.828 175.206 175.900 0.224 0.000 1.078 259 Y CA -1.698 56.559 58.100 0.262 0.000 1.356 259 Y CB 0.045 38.772 38.460 0.445 0.000 1.204 259 Y HN 0.085 nan 8.280 nan 0.000 0.508 260 V N 5.618 125.493 119.914 -0.065 0.000 2.495 260 V HA 0.646 4.765 4.120 -0.000 0.000 0.298 260 V C 0.239 175.919 176.094 -0.689 0.000 1.031 260 V CA -1.149 60.980 62.300 -0.284 0.000 0.871 260 V CB 1.188 32.877 31.823 -0.223 0.000 0.988 260 V HN 0.885 nan 8.190 nan 0.000 0.432 261 A N 6.374 128.448 122.820 -1.242 0.000 2.520 261 A HA 0.345 4.665 4.320 -0.000 0.000 0.235 261 A C -1.325 175.580 177.584 -1.131 0.000 1.065 261 A CA -0.529 50.356 52.037 -1.920 0.000 0.764 261 A CB -0.189 17.616 19.000 -1.991 0.000 1.002 261 A HN 0.733 nan 8.150 nan 0.000 0.502 262 P HA -0.163 nan 4.420 nan 0.000 0.217 262 P C 1.332 178.463 177.300 -0.281 0.000 1.148 262 P CA 1.838 64.688 63.100 -0.417 0.000 0.828 262 P CB -0.075 31.467 31.700 -0.262 0.000 0.783 263 W N -1.286 119.801 121.300 -0.355 0.000 2.800 263 W HA 0.351 5.010 4.660 -0.001 0.000 0.249 263 W C 0.934 177.313 176.519 -0.232 0.000 1.294 263 W CA 0.711 57.902 57.345 -0.257 0.000 1.402 263 W CB -1.234 28.077 29.460 -0.249 0.000 1.126 263 W HN -0.086 nan 8.180 nan 0.000 0.652 264 A N 1.127 123.526 122.820 -0.702 0.000 2.387 264 A HA 0.165 4.485 4.320 -0.000 0.000 0.234 264 A C 1.749 179.109 177.584 -0.374 0.000 1.253 264 A CA 0.711 52.348 52.037 -0.668 0.000 0.894 264 A CB -0.761 17.540 19.000 -1.164 0.000 0.963 264 A HN 0.115 nan 8.150 nan 0.000 0.508 265 T N 1.364 115.743 114.554 -0.292 0.000 2.620 265 T HA -0.260 4.090 4.350 -0.000 0.000 0.267 265 T C 2.299 176.922 174.700 -0.128 0.000 1.044 265 T CA 2.429 64.414 62.100 -0.192 0.000 1.161 265 T CB -0.498 68.283 68.868 -0.144 0.000 0.862 265 T HN 0.829 nan 8.240 nan 0.000 0.438 266 S N 1.697 117.339 115.700 -0.097 0.000 2.442 266 S HA -0.101 4.369 4.470 -0.000 0.000 0.236 266 S C 2.219 176.779 174.600 -0.066 0.000 1.007 266 S CA 1.285 59.447 58.200 -0.065 0.000 0.965 266 S CB -0.561 62.614 63.200 -0.042 0.000 0.773 266 S HN 0.670 nan 8.310 nan 0.000 0.504 267 S N 0.647 116.294 115.700 -0.088 0.000 2.458 267 S HA 0.383 4.853 4.470 -0.000 0.000 0.223 267 S C 1.872 176.425 174.600 -0.079 0.000 1.019 267 S CA 0.668 58.820 58.200 -0.080 0.000 0.937 267 S CB -0.938 62.208 63.200 -0.089 0.000 0.788 267 S HN 1.439 nan 8.310 nan 0.000 0.511 268 G N 1.240 109.979 108.800 -0.102 0.000 2.175 268 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.265 268 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.265 268 G C 0.007 174.860 174.900 -0.078 0.000 0.979 268 G CA 0.554 45.605 45.100 -0.082 0.000 0.663 268 G HN 0.585 nan 8.290 nan 0.000 0.533 269 L N 1.879 123.036 121.223 -0.108 0.000 2.410 269 L HA 0.427 4.767 4.340 -0.000 0.000 0.273 269 L C 1.576 178.361 176.870 -0.142 0.000 1.152 269 L CA 0.247 55.035 54.840 -0.088 0.000 0.855 269 L CB 0.648 42.674 42.059 -0.054 0.000 1.129 269 L HN 0.422 nan 8.230 nan 0.000 0.463 270 T N -0.926 113.592 114.554 -0.060 0.000 2.849 270 T HA 0.170 4.520 4.350 -0.000 0.000 0.276 270 T C 0.987 175.589 174.700 -0.164 0.000 0.971 270 T CA -0.757 61.311 62.100 -0.054 0.000 0.949 270 T CB 1.276 70.223 68.868 0.132 0.000 1.093 270 T HN 0.598 nan 8.240 nan 0.000 0.545 271 K N -0.641 119.582 120.400 -0.296 0.000 2.152 271 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 271 K C 1.574 177.768 176.600 -0.677 0.000 1.048 271 K CA 1.468 57.437 56.287 -0.529 0.000 0.933 271 K CB -0.397 31.508 32.500 -0.992 0.000 0.721 271 K HN 0.657 nan 8.250 nan 0.000 0.447 272 F N 0.701 120.554 119.950 -0.162 0.000 2.416 272 F HA -0.012 4.515 4.527 -0.000 0.000 0.296 272 F C 1.916 177.650 175.800 -0.110 0.000 1.099 272 F CA 0.479 58.380 58.000 -0.164 0.000 1.427 272 F CB -0.151 38.763 39.000 -0.143 0.000 1.079 272 F HN 0.012 nan 8.300 nan 0.000 0.536 273 D N 0.649 121.067 120.400 0.030 0.000 2.162 273 D HA 0.020 4.660 4.640 -0.000 0.000 0.203 273 D C 0.860 177.112 176.300 -0.080 0.000 0.967 273 D CA 0.928 54.926 54.000 -0.003 0.000 0.840 273 D CB 0.231 41.037 40.800 0.010 0.000 0.972 273 D HN 0.190 nan 8.370 nan 0.000 0.482 274 I N 2.034 122.532 120.570 -0.120 0.000 2.312 274 I HA 0.067 4.237 4.170 -0.000 0.000 0.291 274 I C -1.600 174.395 176.117 -0.204 0.000 1.031 274 I CA -1.809 59.375 61.300 -0.192 0.000 1.293 274 I CB 1.681 39.524 38.000 -0.261 0.000 1.403 274 I HN -0.280 nan 8.210 nan 0.000 0.484 275 P HA -0.150 nan 4.420 nan 0.000 0.216 275 P C 1.595 178.852 177.300 -0.072 0.000 1.153 275 P CA 1.119 64.012 63.100 -0.346 0.000 0.858 275 P CB 0.235 31.525 31.700 -0.684 0.000 0.789 276 G N -0.669 108.146 108.800 0.025 0.000 2.509 276 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.218 276 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.218 276 G C 1.214 176.326 174.900 0.353 0.000 1.124 276 G CA 0.220 45.434 45.100 0.191 0.000 0.776 276 G HN 0.256 nan 8.290 nan 0.000 0.547 277 L N -0.038 121.358 121.223 0.288 0.000 2.599 277 L HA 0.187 4.526 4.340 -0.000 0.000 0.230 277 L C 2.200 179.107 176.870 0.062 0.000 1.141 277 L CA -0.354 54.626 54.840 0.233 0.000 0.877 277 L CB -0.308 41.835 42.059 0.140 0.000 1.009 277 L HN 0.211 nan 8.230 nan 0.000 0.447 278 F N 1.737 121.643 119.950 -0.073 0.000 2.091 278 F HA -0.270 4.257 4.527 0.000 0.000 0.299 278 F C 2.391 178.184 175.800 -0.011 0.000 1.103 278 F CA 1.781 59.730 58.000 -0.086 0.000 1.228 278 F CB -0.019 38.951 39.000 -0.050 0.000 0.984 278 F HN 0.085 nan 8.300 nan 0.000 0.477 279 E N 0.135 120.104 120.200 -0.384 0.000 2.268 279 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 279 E C 2.391 178.966 176.600 -0.042 0.000 0.995 279 E CA 1.134 57.327 56.400 -0.345 0.000 0.836 279 E CB -0.583 28.885 29.700 -0.386 0.000 0.763 279 E HN 0.574 nan 8.360 nan 0.000 0.491 280 S N 0.347 116.028 115.700 -0.032 0.000 2.555 280 S HA -0.019 4.451 4.470 -0.000 0.000 0.230 280 S C 1.974 176.448 174.600 -0.210 0.000 0.978 280 S CA 0.202 58.387 58.200 -0.025 0.000 0.934 280 S CB -0.408 62.825 63.200 0.055 0.000 0.766 280 S HN 0.184 nan 8.310 nan 0.000 0.533 281 L N -0.715 120.241 121.223 -0.446 0.000 2.456 281 L HA 0.111 4.451 4.340 -0.000 0.000 0.224 281 L C 1.166 177.792 176.870 -0.406 0.000 1.148 281 L CA 0.903 55.354 54.840 -0.648 0.000 0.825 281 L CB -0.442 40.992 42.059 -1.042 0.000 0.937 281 L HN 0.336 nan 8.230 nan 0.000 0.450 282 F N -1.910 118.101 119.950 0.102 0.000 2.678 282 F HA 0.078 4.604 4.527 -0.000 0.000 0.305 282 F C 1.730 177.628 175.800 0.163 0.000 1.090 282 F CA 0.259 58.370 58.000 0.184 0.000 1.272 282 F CB 0.027 39.038 39.000 0.020 0.000 1.060 282 F HN -0.020 nan 8.300 nan 0.000 0.576 283 T N -4.426 110.261 114.554 0.221 0.000 3.170 283 T HA 0.119 4.469 4.350 -0.000 0.000 0.288 283 T C 0.024 174.791 174.700 0.111 0.000 0.992 283 T CA -0.360 61.844 62.100 0.173 0.000 0.909 283 T CB 0.003 68.975 68.868 0.173 0.000 1.133 283 T HN -0.052 nan 8.240 nan 0.000 0.530 284 D N 2.087 122.541 120.400 0.090 0.000 2.302 284 D HA 0.163 4.803 4.640 -0.000 0.000 0.248 284 D C 1.421 177.736 176.300 0.026 0.000 1.094 284 D CA 0.236 54.255 54.000 0.032 0.000 0.897 284 D CB 2.096 42.949 40.800 0.088 0.000 1.200 284 D HN 0.317 nan 8.370 nan 0.000 0.429 285 S N 2.724 118.445 115.700 0.034 0.000 2.481 285 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 285 S C 0.814 175.401 174.600 -0.022 0.000 0.996 285 S CA 0.300 58.518 58.200 0.029 0.000 0.942 285 S CB 0.091 63.328 63.200 0.060 0.000 0.768 285 S HN 0.460 nan 8.310 nan 0.000 0.520 286 N N 1.909 120.561 118.700 -0.081 0.000 2.726 286 N HA 0.343 5.082 4.740 -0.000 0.000 0.253 286 N C -3.212 172.020 175.510 -0.463 0.000 1.530 286 N CA -1.709 51.247 53.050 -0.156 0.000 0.772 286 N CB 1.351 39.808 38.487 -0.050 0.000 1.220 286 N HN 0.117 nan 8.380 nan 0.000 0.508 287 P HA 0.113 nan 4.420 nan 0.000 0.252 287 P C 0.561 176.893 177.300 -1.613 0.000 1.727 287 P CA -0.454 61.490 63.100 -1.925 0.000 1.134 287 P CB -0.757 30.160 31.700 -1.306 0.000 1.876 288 F N 0.645 119.900 119.950 -1.160 0.000 2.546 288 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 288 F C 1.431 177.016 175.800 -0.358 0.000 1.120 288 F CA -0.431 57.257 58.000 -0.520 0.000 1.456 288 F CB -1.456 37.375 39.000 -0.280 0.000 1.088 288 F HN 0.179 nan 8.300 nan 0.000 0.572 289 W N -0.821 120.073 121.300 -0.675 0.000 2.905 289 W HA 0.243 4.903 4.660 -0.001 0.000 0.251 289 W C 0.068 176.394 176.519 -0.321 0.000 1.305 289 W CA -1.500 55.522 57.345 -0.538 0.000 1.465 289 W CB -1.367 27.637 29.460 -0.761 0.000 1.122 289 W HN -0.103 nan 8.180 nan 0.000 0.659 290 W N 1.088 122.300 121.300 -0.147 0.000 2.316 290 W HA 0.390 5.050 4.660 -0.000 0.000 0.321 290 W C 0.071 176.596 176.519 0.010 0.000 1.203 290 W CA -1.396 55.960 57.345 0.017 0.000 1.214 290 W CB 0.401 29.872 29.460 0.019 0.000 1.169 290 W HN -0.407 nan 8.180 nan 0.000 0.561 291 c N 3.262 122.059 118.600 0.328 0.000 2.592 291 c HA -0.043 4.527 4.570 -0.000 0.000 0.408 291 c C 1.714 175.865 174.090 0.103 0.000 1.436 291 c CA -0.263 56.166 56.329 0.166 0.000 1.595 291 c CB -0.467 42.121 42.510 0.130 0.000 2.487 291 c HN 0.767 nan 8.230 nan 0.000 0.610 292 K N 1.241 121.678 120.400 0.063 0.000 2.486 292 K HA -0.053 4.266 4.320 -0.000 0.000 0.194 292 K C 0.637 177.235 176.600 -0.004 0.000 1.033 292 K CA 0.937 57.239 56.287 0.026 0.000 1.004 292 K CB 0.041 32.551 32.500 0.018 0.000 0.798 292 K HN 0.819 nan 8.250 nan 0.000 0.495 293 D N -0.175 120.221 120.400 -0.006 0.000 2.571 293 D HA 0.136 4.776 4.640 -0.000 0.000 0.239 293 D C -0.116 176.152 176.300 -0.055 0.000 1.267 293 D CA -0.217 53.770 54.000 -0.022 0.000 0.823 293 D CB 0.049 40.848 40.800 -0.003 0.000 1.056 293 D HN -0.009 nan 8.370 nan 0.000 0.494 294 I N 0.658 121.168 120.570 -0.100 0.000 2.498 294 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 294 I C 1.034 176.984 176.117 -0.278 0.000 1.032 294 I CA -0.730 60.430 61.300 -0.233 0.000 1.073 294 I CB 2.442 40.269 38.000 -0.288 0.000 1.251 294 I HN -0.107 nan 8.210 nan 0.000 0.426 295 T N 1.608 115.961 114.554 -0.335 0.000 3.148 295 T HA 0.150 4.500 4.350 -0.000 0.000 0.253 295 T C 0.395 174.890 174.700 -0.340 0.000 1.134 295 T CA -0.028 61.907 62.100 -0.275 0.000 1.051 295 T CB -0.451 68.298 68.868 -0.197 0.000 0.959 295 T HN 0.405 nan 8.240 nan 0.000 0.525 296 V N -2.622 117.023 119.914 -0.448 0.000 3.113 296 V HA 0.772 4.891 4.120 -0.000 0.000 0.316 296 V C -0.411 175.469 176.094 -0.358 0.000 1.125 296 V CA -2.030 60.028 62.300 -0.403 0.000 1.026 296 V CB 0.763 32.464 31.823 -0.204 0.000 1.080 296 V HN 0.050 nan 8.190 nan 0.000 0.444 297 F N 1.536 121.364 119.950 -0.202 0.000 2.578 297 F HA 0.629 5.156 4.527 -0.001 0.000 0.376 297 F C 0.845 176.654 175.800 0.015 0.000 1.085 297 F CA 0.853 58.676 58.000 -0.294 0.000 1.260 297 F CB 0.308 39.067 39.000 -0.401 0.000 1.095 297 F HN 1.001 nan 8.300 nan 0.000 0.573 298 A N 2.225 125.270 122.820 0.375 0.000 2.540 298 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 298 A C -0.367 177.552 177.584 0.559 0.000 1.056 298 A CA -0.388 51.891 52.037 0.403 0.000 0.700 298 A CB 0.822 19.960 19.000 0.231 0.000 1.280 298 A HN 0.947 nan 8.150 nan 0.000 0.398 299 G N 0.002 109.093 108.800 0.485 0.000 2.339 299 G HA2 0.475 4.435 3.960 -0.000 0.000 0.287 299 G HA3 0.475 4.435 3.960 -0.000 0.000 0.287 299 G C -0.343 174.699 174.900 0.237 0.000 1.163 299 G CA -0.159 45.167 45.100 0.377 0.000 0.872 299 G HN 0.888 nan 8.290 nan 0.000 0.464 300 c N 4.667 123.383 118.600 0.192 0.000 2.492 300 c HA 0.683 5.253 4.570 -0.000 0.000 0.284 300 c C -0.064 174.080 174.090 0.090 0.000 1.082 300 c CA -0.638 55.771 56.329 0.134 0.000 1.555 300 c CB -2.222 40.368 42.510 0.132 0.000 1.798 300 c HN 0.763 nan 8.230 nan 0.000 0.413 301 L N -0.371 120.886 121.223 0.057 0.000 3.075 301 L HA 0.607 4.947 4.340 -0.000 0.000 0.274 301 L C -0.949 175.933 176.870 0.020 0.000 1.006 301 L CA -0.961 53.883 54.840 0.008 0.000 0.972 301 L CB 0.838 42.838 42.059 -0.099 0.000 1.515 301 L HN -0.109 nan 8.230 nan 0.000 0.402 302 V N 1.819 121.751 119.914 0.031 0.000 2.509 302 V HA 0.361 4.481 4.120 -0.000 0.000 0.297 302 V C 1.431 177.552 176.094 0.046 0.000 1.014 302 V CA 1.930 64.299 62.300 0.116 0.000 1.127 302 V CB -0.180 31.756 31.823 0.190 0.000 0.925 302 V HN 1.248 nan 8.190 nan 0.000 0.480 303 G N 3.148 111.992 108.800 0.073 0.000 2.232 303 G HA2 0.006 3.965 3.960 -0.000 0.000 0.226 303 G HA3 0.006 3.965 3.960 -0.000 0.000 0.226 303 G C 1.040 175.980 174.900 0.066 0.000 0.996 303 G CA 0.320 45.450 45.100 0.049 0.000 0.626 303 G HN 2.137 nan 8.290 nan 0.000 0.509 304 G N -0.204 108.641 108.800 0.075 0.000 2.596 304 G HA2 0.094 4.053 3.960 -0.000 0.000 0.295 304 G HA3 0.094 4.053 3.960 -0.000 0.000 0.295 304 G C 1.882 176.866 174.900 0.140 0.000 1.240 304 G CA 1.950 47.120 45.100 0.116 0.000 0.985 304 G HN 1.902 nan 8.290 nan 0.000 0.555 305 G N -0.672 108.245 108.800 0.194 0.000 2.462 305 G HA2 0.039 3.999 3.960 -0.000 0.000 0.220 305 G HA3 0.039 3.999 3.960 -0.000 0.000 0.220 305 G C 1.994 177.012 174.900 0.197 0.000 1.121 305 G CA 2.676 47.922 45.100 0.243 0.000 0.758 305 G HN 1.998 nan 8.290 nan 0.000 0.559 306 T N -2.284 112.356 114.554 0.142 0.000 3.007 306 T HA 0.041 4.391 4.350 -0.000 0.000 0.270 306 T C 2.240 177.004 174.700 0.106 0.000 1.107 306 T CA 1.500 63.670 62.100 0.117 0.000 1.118 306 T CB -0.058 68.863 68.868 0.087 0.000 0.889 306 T HN 0.109 nan 8.240 nan 0.000 0.506 307 S N 0.644 116.389 115.700 0.075 0.000 2.548 307 S HA 0.195 4.665 4.470 -0.000 0.000 0.215 307 S C 1.568 176.220 174.600 0.086 0.000 0.976 307 S CA 0.431 58.652 58.200 0.035 0.000 0.908 307 S CB 0.342 63.460 63.200 -0.137 0.000 0.781 307 S HN 0.694 nan 8.310 nan 0.000 0.519 308 V N -0.342 119.644 119.914 0.119 0.000 3.337 308 V HA 0.365 4.484 4.120 -0.000 0.000 0.307 308 V C -0.113 176.191 176.094 0.350 0.000 1.505 308 V CA -0.734 61.642 62.300 0.125 0.000 1.072 308 V CB -0.849 30.963 31.823 -0.018 0.000 0.929 308 V HN 0.358 nan 8.190 nan 0.000 0.455 309 N N 1.253 120.135 118.700 0.305 0.000 2.447 309 N HA 0.470 5.209 4.740 -0.000 0.000 0.271 309 N C 1.310 176.776 175.510 -0.073 0.000 1.226 309 N CA 0.046 53.276 53.050 0.300 0.000 0.980 309 N CB 0.850 39.480 38.487 0.238 0.000 1.206 309 N HN 0.037 nan 8.380 nan 0.000 0.558 310 G N -2.069 106.474 108.800 -0.429 0.000 2.679 310 G HA2 0.230 4.190 3.960 -0.000 0.000 0.212 310 G HA3 0.230 4.190 3.960 -0.000 0.000 0.212 310 G C 0.742 175.496 174.900 -0.243 0.000 1.137 310 G CA 0.577 45.063 45.100 -1.023 0.000 0.787 310 G HN 1.411 nan 8.290 nan 0.000 0.534 311 A N -1.401 121.387 122.820 -0.054 0.000 2.899 311 A HA -0.178 4.142 4.320 -0.000 0.000 0.257 311 A C 0.765 178.299 177.584 -0.084 0.000 1.335 311 A CA 0.796 52.846 52.037 0.021 0.000 0.924 311 A CB -2.139 16.938 19.000 0.128 0.000 1.105 311 A HN 0.425 nan 8.150 nan 0.000 0.765 312 L N -0.576 120.550 121.223 -0.161 0.000 2.499 312 L HA 0.280 4.620 4.340 -0.000 0.000 0.273 312 L C 0.251 176.735 176.870 -0.643 0.000 1.195 312 L CA 0.359 54.879 54.840 -0.532 0.000 0.882 312 L CB 0.378 42.303 42.059 -0.222 0.000 1.133 312 L HN 0.456 nan 8.230 nan 0.000 0.483 313 Y N 3.972 123.485 120.300 -1.312 0.000 2.349 313 Y HA 0.380 4.930 4.550 -0.001 0.000 0.324 313 Y C -1.523 173.762 175.900 -1.025 0.000 1.005 313 Y CA -1.519 56.038 58.100 -0.904 0.000 1.240 313 Y CB 0.945 39.055 38.460 -0.584 0.000 1.117 313 Y HN 0.400 nan 8.280 nan 0.000 0.463 314 W N 6.430 127.558 121.300 -0.286 0.000 2.538 314 W HA 0.480 5.140 4.660 -0.001 0.000 0.322 314 W C -1.095 175.209 176.519 -0.357 0.000 1.028 314 W CA -1.082 56.039 57.345 -0.374 0.000 1.228 314 W CB 0.924 30.287 29.460 -0.162 0.000 1.356 314 W HN 0.376 nan 8.180 nan 0.000 0.452 315 Y N 3.957 124.141 120.300 -0.193 0.000 2.597 315 Y HA 0.060 4.610 4.550 -0.000 0.000 0.336 315 Y C -1.316 174.571 175.900 -0.022 0.000 1.216 315 Y CA -2.660 55.360 58.100 -0.133 0.000 1.463 315 Y CB -0.451 37.953 38.460 -0.093 0.000 1.303 315 Y HN 0.098 nan 8.280 nan 0.000 0.576 316 P HA 0.034 nan 4.420 nan 0.000 0.271 316 P C -0.770 176.529 177.300 -0.002 0.000 1.218 316 P CA -0.349 62.791 63.100 0.066 0.000 0.780 316 P CB 0.959 32.756 31.700 0.162 0.000 0.901 317 N N 0.365 119.022 118.700 -0.071 0.000 2.458 317 N HA 0.115 4.855 4.740 -0.000 0.000 0.271 317 N C 0.503 175.994 175.510 -0.032 0.000 1.210 317 N CA -0.537 52.490 53.050 -0.040 0.000 0.978 317 N CB 0.144 38.567 38.487 -0.107 0.000 1.206 317 N HN 0.142 nan 8.380 nan 0.000 0.536 318 D N -0.271 120.197 120.400 0.113 0.000 2.144 318 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 318 D C 1.873 178.241 176.300 0.113 0.000 0.984 318 D CA 1.578 55.701 54.000 0.205 0.000 0.834 318 D CB -0.855 40.059 40.800 0.190 0.000 0.955 318 D HN 0.818 nan 8.370 nan 0.000 0.465 319 G N 0.930 109.753 108.800 0.039 0.000 2.448 319 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 319 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 319 G C 1.241 176.142 174.900 0.003 0.000 1.127 319 G CA 0.607 45.721 45.100 0.023 0.000 0.766 319 G HN 0.144 nan 8.290 nan 0.000 0.552 320 D N 0.017 120.378 120.400 -0.065 0.000 2.263 320 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 320 D C 1.001 177.142 176.300 -0.265 0.000 0.971 320 D CA 0.633 54.544 54.000 -0.150 0.000 0.867 320 D CB -0.129 40.526 40.800 -0.242 0.000 0.929 320 D HN 0.419 nan 8.370 nan 0.000 0.492 321 F N 0.091 119.984 119.950 -0.096 0.000 2.708 321 F HA 0.174 4.701 4.527 -0.000 0.000 0.300 321 F C 0.982 176.810 175.800 0.047 0.000 1.118 321 F CA -0.431 57.381 58.000 -0.314 0.000 1.307 321 F CB 0.449 39.184 39.000 -0.441 0.000 0.986 321 F HN -0.330 nan 8.300 nan 0.000 0.522 322 S N 0.136 116.000 115.700 0.274 0.000 2.562 322 S HA 0.022 4.492 4.470 -0.000 0.000 0.281 322 S C 1.593 176.391 174.600 0.330 0.000 1.333 322 S CA 0.268 58.620 58.200 0.253 0.000 1.052 322 S CB 0.744 64.042 63.200 0.163 0.000 0.884 322 S HN 0.423 nan 8.310 nan 0.000 0.506 323 S N 3.428 119.287 115.700 0.265 0.000 2.447 323 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 323 S C 1.782 176.483 174.600 0.168 0.000 1.006 323 S CA 1.066 59.413 58.200 0.245 0.000 0.957 323 S CB -0.443 62.875 63.200 0.196 0.000 0.773 323 S HN 0.611 nan 8.310 nan 0.000 0.507 324 S N 1.381 117.168 115.700 0.145 0.000 2.447 324 S HA -0.003 4.466 4.470 -0.000 0.000 0.233 324 S C 1.752 176.402 174.600 0.084 0.000 1.006 324 S CA 1.054 59.320 58.200 0.110 0.000 0.957 324 S CB -0.272 62.991 63.200 0.104 0.000 0.773 324 S HN 0.750 nan 8.310 nan 0.000 0.507 325 V N -1.962 118.000 119.914 0.081 0.000 3.647 325 V HA 0.636 4.756 4.120 -0.000 0.000 0.279 325 V C 1.144 177.198 176.094 -0.066 0.000 1.314 325 V CA 0.686 62.983 62.300 -0.004 0.000 1.125 325 V CB -0.317 31.491 31.823 -0.024 0.000 0.907 325 V HN 0.441 nan 8.190 nan 0.000 0.434 326 G N -1.209 107.571 108.800 -0.033 0.000 2.229 326 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.189 326 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.189 326 G C -0.270 174.534 174.900 -0.160 0.000 1.000 326 G CA -0.286 44.736 45.100 -0.130 0.000 0.663 326 G HN 0.536 nan 8.290 nan 0.000 0.493 327 W N 1.922 123.214 121.300 -0.014 0.000 2.190 327 W HA 0.537 5.197 4.660 -0.000 0.000 0.330 327 W C -1.702 174.855 176.519 0.063 0.000 1.299 327 W CA -1.719 55.616 57.345 -0.017 0.000 1.215 327 W CB 0.293 29.819 29.460 0.110 0.000 1.147 327 W HN -0.008 nan 8.180 nan 0.000 0.563 328 P HA 0.006 nan 4.420 nan 0.000 0.270 328 P C 0.562 178.089 177.300 0.379 0.000 1.223 328 P CA 0.196 63.486 63.100 0.317 0.000 0.785 328 P CB 0.762 32.676 31.700 0.358 0.000 0.923 329 S N 0.613 116.475 115.700 0.270 0.000 2.400 329 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 329 S C 1.723 176.464 174.600 0.234 0.000 1.025 329 S CA 1.909 60.244 58.200 0.225 0.000 0.993 329 S CB -0.912 62.382 63.200 0.157 0.000 0.808 329 S HN 0.686 nan 8.310 nan 0.000 0.478 330 S N -0.732 115.129 115.700 0.268 0.000 2.555 330 S HA -0.017 4.452 4.470 -0.000 0.000 0.230 330 S C 1.001 175.668 174.600 0.113 0.000 0.978 330 S CA 0.228 58.534 58.200 0.176 0.000 0.934 330 S CB -0.459 62.832 63.200 0.152 0.000 0.766 330 S HN 0.681 nan 8.310 nan 0.000 0.533 331 W N 2.288 123.646 121.300 0.097 0.000 3.013 331 W HA 0.193 4.853 4.660 -0.000 0.000 0.280 331 W C 2.608 179.107 176.519 -0.033 0.000 1.249 331 W CA 0.435 57.792 57.345 0.020 0.000 1.577 331 W CB -0.544 28.992 29.460 0.127 0.000 1.057 331 W HN 0.450 nan 8.180 nan 0.000 0.613 332 T N -2.141 112.563 114.554 0.250 0.000 2.803 332 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 332 T C 0.992 175.762 174.700 0.117 0.000 1.052 332 T CA 1.093 63.316 62.100 0.205 0.000 1.136 332 T CB -0.690 68.296 68.868 0.197 0.000 0.864 332 T HN 0.230 nan 8.240 nan 0.000 0.467 333 N N 1.602 120.317 118.700 0.025 0.000 2.895 333 N HA 0.033 4.773 4.740 -0.000 0.000 0.277 333 N C 0.829 176.245 175.510 -0.156 0.000 1.185 333 N CA -0.312 52.692 53.050 -0.078 0.000 1.106 333 N CB 0.118 38.561 38.487 -0.074 0.000 1.422 333 N HN 0.749 nan 8.380 nan 0.000 0.521 334 H N 1.399 120.326 119.070 -0.239 0.000 2.535 334 H HA 0.236 4.792 4.556 -0.000 0.000 0.273 334 H C 1.868 177.044 175.328 -0.253 0.000 0.983 334 H CA 0.757 56.559 56.048 -0.410 0.000 1.238 334 H CB 0.167 29.326 29.762 -1.005 0.000 1.412 334 H HN 0.416 nan 8.280 nan 0.000 0.562 335 A N 2.122 124.405 122.820 -0.895 0.000 1.903 335 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 335 A C 0.127 177.456 177.584 -0.425 0.000 1.191 335 A CA 1.865 53.517 52.037 -0.641 0.000 0.638 335 A CB -1.494 17.208 19.000 -0.496 0.000 0.823 335 A HN 0.471 nan 8.150 nan 0.000 0.451 336 P HA -0.117 nan 4.420 nan 0.000 0.218 336 P C 0.716 177.625 177.300 -0.651 0.000 1.149 336 P CA 1.129 63.866 63.100 -0.605 0.000 0.817 336 P CB -0.135 31.082 31.700 -0.806 0.000 0.785 337 Y N -1.414 118.757 120.300 -0.215 0.000 2.314 337 Y HA -0.021 4.529 4.550 -0.000 0.000 0.294 337 Y C 2.443 178.274 175.900 -0.115 0.000 1.119 337 Y CA 1.121 59.120 58.100 -0.167 0.000 1.179 337 Y CB -1.651 36.675 38.460 -0.223 0.000 1.025 337 Y HN -0.135 nan 8.280 nan 0.000 0.541 338 T N -0.962 113.582 114.554 -0.016 0.000 2.833 338 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 338 T C 2.199 176.808 174.700 -0.153 0.000 1.054 338 T CA 1.615 63.698 62.100 -0.028 0.000 1.135 338 T CB -0.407 68.498 68.868 0.061 0.000 0.869 338 T HN 0.340 nan 8.240 nan 0.000 0.466 339 S N 0.659 116.245 115.700 -0.189 0.000 2.383 339 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 339 S C 2.016 176.538 174.600 -0.130 0.000 1.026 339 S CA 1.073 59.156 58.200 -0.195 0.000 0.981 339 S CB -0.158 62.917 63.200 -0.207 0.000 0.818 339 S HN 0.443 nan 8.310 nan 0.000 0.472 340 K N 0.358 120.701 120.400 -0.096 0.000 2.057 340 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 340 K C 2.087 178.709 176.600 0.037 0.000 1.049 340 K CA 1.445 57.713 56.287 -0.031 0.000 0.931 340 K CB -0.408 32.099 32.500 0.012 0.000 0.714 340 K HN 0.348 nan 8.250 nan 0.000 0.440 341 L N 1.369 122.642 121.223 0.084 0.000 2.017 341 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 341 L C 2.269 179.231 176.870 0.153 0.000 1.073 341 L CA 2.126 57.083 54.840 0.194 0.000 0.745 341 L CB -0.736 41.463 42.059 0.233 0.000 0.894 341 L HN 0.179 nan 8.230 nan 0.000 0.432 342 S N -2.078 113.620 115.700 -0.004 0.000 2.419 342 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 342 S C 1.943 176.570 174.600 0.044 0.000 1.016 342 S CA 1.232 59.425 58.200 -0.011 0.000 0.974 342 S CB -0.763 62.191 63.200 -0.411 0.000 0.786 342 S HN 0.504 nan 8.310 nan 0.000 0.492 343 S N 1.498 117.192 115.700 -0.009 0.000 2.387 343 S HA 0.127 4.597 4.470 -0.000 0.000 0.226 343 S C 2.077 176.660 174.600 -0.029 0.000 1.026 343 S CA 0.460 58.648 58.200 -0.020 0.000 0.972 343 S CB -0.169 63.000 63.200 -0.052 0.000 0.814 343 S HN 0.414 nan 8.310 nan 0.000 0.477 344 R N 0.633 121.104 120.500 -0.050 0.000 2.075 344 R HA 0.234 4.574 4.340 -0.000 0.000 0.226 344 R C 0.368 176.640 176.300 -0.047 0.000 1.114 344 R CA 0.654 56.665 56.100 -0.149 0.000 0.972 344 R CB -0.519 29.538 30.300 -0.405 0.000 0.869 344 R HN 0.332 nan 8.270 nan 0.000 0.437 345 L N 3.028 124.298 121.223 0.079 0.000 2.470 345 L HA 0.324 4.664 4.340 -0.000 0.000 0.253 345 L C -2.383 174.651 176.870 0.272 0.000 1.163 345 L CA -1.831 53.080 54.840 0.118 0.000 0.932 345 L CB 2.152 44.255 42.059 0.074 0.000 1.213 345 L HN -0.165 nan 8.230 nan 0.000 0.485 346 P HA 0.014 nan 4.420 nan 0.000 0.271 346 P C 0.050 177.529 177.300 0.298 0.000 1.220 346 P CA 0.140 63.407 63.100 0.278 0.000 0.768 346 P CB 1.491 33.284 31.700 0.156 0.000 0.848 347 S N 2.403 118.322 115.700 0.365 0.000 2.560 347 S HA 0.213 4.683 4.470 -0.000 0.000 0.284 347 S C 0.004 174.621 174.600 0.027 0.000 1.327 347 S CA 0.246 58.540 58.200 0.157 0.000 1.055 347 S CB -0.356 62.708 63.200 -0.227 0.000 0.868 347 S HN 0.600 nan 8.310 nan 0.000 0.506 348 T N 1.666 116.199 114.554 -0.036 0.000 2.881 348 T HA 0.412 4.762 4.350 -0.000 0.000 0.290 348 T C -0.399 174.232 174.700 -0.115 0.000 1.000 348 T CA -0.651 61.358 62.100 -0.153 0.000 0.978 348 T CB 1.155 69.933 68.868 -0.151 0.000 0.997 348 T HN 0.759 nan 8.240 nan 0.000 0.443 349 D N 2.274 122.585 120.400 -0.149 0.000 2.402 349 D HA 0.058 4.697 4.640 -0.000 0.000 0.216 349 D C 0.450 176.792 176.300 0.071 0.000 1.128 349 D CA -0.130 53.888 54.000 0.029 0.000 0.833 349 D CB -0.208 40.676 40.800 0.139 0.000 0.971 349 D HN 0.789 nan 8.370 nan 0.000 0.503 350 H N -1.062 118.066 119.070 0.097 0.000 2.439 350 H HA 0.308 4.864 4.556 -0.000 0.000 0.228 350 H C -2.307 173.107 175.328 0.142 0.000 1.423 350 H CA -1.432 54.656 56.048 0.066 0.000 1.386 350 H CB 0.889 30.644 29.762 -0.013 0.000 1.641 350 H HN -0.098 nan 8.280 nan 0.000 0.508 351 P HA -0.117 nan 4.420 nan 0.000 0.222 351 P C 0.979 178.418 177.300 0.231 0.000 1.147 351 P CA 0.503 63.754 63.100 0.252 0.000 0.790 351 P CB 0.276 32.213 31.700 0.394 0.000 0.780 352 S N 0.510 116.354 115.700 0.241 0.000 2.546 352 S HA 0.053 4.523 4.470 -0.000 0.000 0.290 352 S C 1.669 176.379 174.600 0.184 0.000 1.290 352 S CA 0.348 58.673 58.200 0.208 0.000 1.069 352 S CB -0.033 63.337 63.200 0.283 0.000 0.846 352 S HN 0.313 nan 8.310 nan 0.000 0.495 353 T N 1.396 116.021 114.554 0.118 0.000 2.929 353 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 353 T C 1.008 175.764 174.700 0.094 0.000 1.085 353 T CA 1.386 63.540 62.100 0.091 0.000 1.125 353 T CB -0.531 68.357 68.868 0.033 0.000 0.874 353 T HN 0.797 nan 8.240 nan 0.000 0.494 354 D N 0.924 121.389 120.400 0.108 0.000 2.349 354 D HA 0.215 4.855 4.640 -0.000 0.000 0.224 354 D C 1.719 178.065 176.300 0.076 0.000 1.029 354 D CA 0.570 54.627 54.000 0.094 0.000 0.879 354 D CB -0.906 39.964 40.800 0.116 0.000 0.906 354 D HN 0.598 nan 8.370 nan 0.000 0.528 355 G N -0.603 108.258 108.800 0.102 0.000 2.184 355 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 355 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 355 G C 0.259 175.123 174.900 -0.059 0.000 0.975 355 G CA 0.269 45.368 45.100 -0.001 0.000 0.642 355 G HN 0.402 nan 8.290 nan 0.000 0.536 356 Q N -0.001 119.819 119.800 0.033 0.000 2.249 356 Q HA 0.668 5.008 4.340 -0.000 0.000 0.226 356 Q C 0.739 176.703 176.000 -0.060 0.000 0.983 356 Q CA -0.173 55.578 55.803 -0.088 0.000 0.930 356 Q CB 0.801 29.448 28.738 -0.153 0.000 1.193 356 Q HN 0.576 nan 8.270 nan 0.000 0.508 357 R N 0.208 120.538 120.500 -0.283 0.000 2.778 357 R HA 0.608 4.947 4.340 -0.000 0.000 0.277 357 R C -0.895 175.168 176.300 -0.395 0.000 0.977 357 R CA -0.585 55.401 56.100 -0.190 0.000 0.950 357 R CB 1.323 31.428 30.300 -0.325 0.000 1.165 357 R HN 0.487 nan 8.270 nan 0.000 0.474 358 Y N 0.590 120.878 120.300 -0.020 0.000 2.545 358 Y HA 0.240 4.790 4.550 -0.001 0.000 0.348 358 Y C 0.083 175.974 175.900 -0.015 0.000 1.002 358 Y CA -1.123 56.967 58.100 -0.018 0.000 1.039 358 Y CB 1.547 39.993 38.460 -0.023 0.000 1.271 358 Y HN 0.525 nan 8.280 nan 0.000 0.467 359 L N 1.891 123.181 121.223 0.112 0.000 3.660 359 L HA -0.240 4.099 4.340 -0.000 0.000 0.440 359 L C 0.087 177.010 176.870 0.088 0.000 1.262 359 L CA 0.568 55.433 54.840 0.042 0.000 0.837 359 L CB -0.456 41.550 42.059 -0.089 0.000 1.689 359 L HN 0.759 nan 8.230 nan 0.000 0.890 360 E N -0.564 119.687 120.200 0.085 0.000 2.444 360 E HA 0.035 4.385 4.350 -0.000 0.000 0.191 360 E C 1.373 178.052 176.600 0.132 0.000 1.041 360 E CA 0.295 56.781 56.400 0.143 0.000 0.883 360 E CB 0.330 30.101 29.700 0.118 0.000 1.024 360 E HN 0.718 nan 8.360 nan 0.000 0.470 361 Q N 0.399 120.234 119.800 0.059 0.000 2.096 361 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 361 Q C 2.251 178.184 176.000 -0.112 0.000 0.982 361 Q CA 2.135 57.936 55.803 -0.004 0.000 0.850 361 Q CB -0.378 28.360 28.738 -0.000 0.000 0.901 361 Q HN 0.265 nan 8.270 nan 0.000 0.422 362 S N -0.413 115.193 115.700 -0.156 0.000 2.402 362 S HA -0.157 4.312 4.470 -0.000 0.000 0.229 362 S C 1.773 176.194 174.600 -0.299 0.000 1.021 362 S CA 0.782 58.724 58.200 -0.429 0.000 0.974 362 S CB -0.550 62.403 63.200 -0.412 0.000 0.800 362 S HN 0.430 nan 8.310 nan 0.000 0.484 363 F N 3.605 123.455 119.950 -0.166 0.000 2.134 363 F HA -0.023 4.503 4.527 -0.000 0.000 0.299 363 F C 1.982 177.663 175.800 -0.199 0.000 1.097 363 F CA 1.601 59.524 58.000 -0.129 0.000 1.264 363 F CB -0.528 38.493 39.000 0.035 0.000 1.001 363 F HN 0.146 nan 8.300 nan 0.000 0.479 364 N N 0.328 119.067 118.700 0.064 0.000 2.188 364 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 364 N C 2.041 177.387 175.510 -0.274 0.000 1.018 364 N CA 1.582 54.615 53.050 -0.028 0.000 0.858 364 N CB -0.608 37.903 38.487 0.039 0.000 0.989 364 N HN 0.265 nan 8.380 nan 0.000 0.426 365 V N 0.608 120.285 119.914 -0.395 0.000 2.323 365 V HA -0.104 4.015 4.120 -0.000 0.000 0.244 365 V C 2.353 178.145 176.094 -0.503 0.000 1.041 365 V CA 1.025 63.025 62.300 -0.500 0.000 1.025 365 V CB -0.370 31.065 31.823 -0.646 0.000 0.656 365 V HN 0.041 nan 8.190 nan 0.000 0.451 366 V N 1.055 120.624 119.914 -0.575 0.000 2.548 366 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 366 V C 2.682 178.275 176.094 -0.835 0.000 1.055 366 V CA 1.877 63.800 62.300 -0.628 0.000 1.065 366 V CB -0.708 30.794 31.823 -0.535 0.000 0.681 366 V HN 0.747 nan 8.190 nan 0.000 0.462 367 S N -0.102 115.033 115.700 -0.942 0.000 2.382 367 S HA -0.272 4.198 4.470 -0.000 0.000 0.228 367 S C 1.903 176.068 174.600 -0.725 0.000 1.027 367 S CA 1.154 58.651 58.200 -1.173 0.000 0.991 367 S CB -0.430 62.228 63.200 -0.903 0.000 0.823 367 S HN 0.539 nan 8.310 nan 0.000 0.469 368 Q N 0.793 120.307 119.800 -0.477 0.000 2.167 368 Q HA 0.124 4.463 4.340 -0.000 0.000 0.202 368 Q C 2.221 178.028 176.000 -0.322 0.000 0.970 368 Q CA 0.882 56.500 55.803 -0.309 0.000 0.855 368 Q CB -0.804 27.802 28.738 -0.221 0.000 0.911 368 Q HN 0.570 nan 8.270 nan 0.000 0.438 369 L N 0.298 121.275 121.223 -0.410 0.000 2.017 369 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 369 L C 2.096 178.703 176.870 -0.438 0.000 1.073 369 L CA 1.470 56.081 54.840 -0.382 0.000 0.745 369 L CB -0.491 41.306 42.059 -0.437 0.000 0.894 369 L HN 0.132 nan 8.230 nan 0.000 0.432 370 L N -0.946 119.870 121.223 -0.678 0.000 2.156 370 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 370 L C 2.525 179.225 176.870 -0.283 0.000 1.095 370 L CA 1.084 55.455 54.840 -0.781 0.000 0.770 370 L CB -0.528 40.691 42.059 -1.399 0.000 0.914 370 L HN 0.223 nan 8.230 nan 0.000 0.439 371 K N 0.157 120.411 120.400 -0.243 0.000 2.152 371 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 371 K C 2.016 178.626 176.600 0.017 0.000 1.048 371 K CA 1.255 57.539 56.287 -0.004 0.000 0.933 371 K CB -0.376 32.120 32.500 -0.008 0.000 0.721 371 K HN 0.393 nan 8.250 nan 0.000 0.447 372 G N 0.478 109.249 108.800 -0.048 0.000 2.598 372 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 372 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 372 G C 1.019 175.935 174.900 0.028 0.000 1.131 372 G CA 0.163 45.253 45.100 -0.017 0.000 0.785 372 G HN 0.322 nan 8.290 nan 0.000 0.539 373 Q N -0.660 119.184 119.800 0.073 0.000 2.280 373 Q HA 0.307 4.647 4.340 -0.000 0.000 0.201 373 Q C 1.479 177.640 176.000 0.268 0.000 0.890 373 Q CA 0.212 56.118 55.803 0.172 0.000 0.947 373 Q CB 0.698 29.563 28.738 0.211 0.000 1.081 373 Q HN 0.417 nan 8.270 nan 0.000 0.502 374 G N 0.367 109.296 108.800 0.215 0.000 2.141 374 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 374 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 374 G C -0.344 174.704 174.900 0.246 0.000 0.982 374 G CA -0.309 44.894 45.100 0.171 0.000 0.662 374 G HN 0.257 nan 8.290 nan 0.000 0.527 375 Y N 0.624 121.024 120.300 0.166 0.000 2.300 375 Y HA 0.555 5.105 4.550 0.000 0.000 0.328 375 Y C 0.953 177.006 175.900 0.256 0.000 1.270 375 Y CA -0.625 57.616 58.100 0.234 0.000 1.352 375 Y CB 0.701 39.295 38.460 0.224 0.000 1.286 375 Y HN 0.102 nan 8.280 nan 0.000 0.536 376 N N 1.259 120.174 118.700 0.359 0.000 2.269 376 N HA 0.149 4.889 4.740 -0.000 0.000 0.304 376 N C -1.388 174.001 175.510 -0.202 0.000 1.072 376 N CA -0.705 52.441 53.050 0.159 0.000 0.802 376 N CB 1.975 40.575 38.487 0.187 0.000 1.348 376 N HN 0.653 nan 8.380 nan 0.000 0.484 377 Q N 1.151 120.658 119.800 -0.488 0.000 2.293 377 Q HA 0.587 4.926 4.340 -0.000 0.000 0.251 377 Q C -1.258 174.586 176.000 -0.260 0.000 0.930 377 Q CA -0.357 54.939 55.803 -0.845 0.000 0.893 377 Q CB 0.853 29.194 28.738 -0.663 0.000 1.215 377 Q HN 0.684 nan 8.270 nan 0.000 0.425 378 A N 2.289 125.000 122.820 -0.182 0.000 2.609 378 A HA 0.479 4.799 4.320 -0.000 0.000 0.291 378 A C -1.015 176.613 177.584 0.072 0.000 1.096 378 A CA -0.727 51.328 52.037 0.029 0.000 0.684 378 A CB 1.860 20.948 19.000 0.146 0.000 1.282 378 A HN 0.635 nan 8.150 nan 0.000 0.412 379 T N 2.986 117.613 114.554 0.122 0.000 2.775 379 T HA 0.208 4.558 4.350 -0.000 0.000 0.287 379 T C 1.780 176.565 174.700 0.142 0.000 0.909 379 T CA -0.277 61.916 62.100 0.155 0.000 1.081 379 T CB -0.361 68.597 68.868 0.150 0.000 0.891 379 T HN 0.429 nan 8.240 nan 0.000 0.544 380 I N 2.899 123.567 120.570 0.163 0.000 2.113 380 I HA -0.218 3.951 4.170 -0.000 0.000 0.242 380 I C 2.007 178.170 176.117 0.077 0.000 1.057 380 I CA 1.569 62.939 61.300 0.116 0.000 1.314 380 I CB -0.759 37.365 38.000 0.208 0.000 1.022 380 I HN 0.560 nan 8.210 nan 0.000 0.408 381 N N 0.684 119.426 118.700 0.072 0.000 2.461 381 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 381 N C 1.133 176.734 175.510 0.152 0.000 1.134 381 N CA 0.405 53.455 53.050 0.000 0.000 0.878 381 N CB -0.111 38.138 38.487 -0.396 0.000 0.972 381 N HN 0.358 nan 8.380 nan 0.000 0.456 382 D N 0.205 120.684 120.400 0.132 0.000 2.183 382 D HA -0.042 4.598 4.640 -0.000 0.000 0.203 382 D C 0.224 176.597 176.300 0.123 0.000 0.969 382 D CA 1.115 55.196 54.000 0.135 0.000 0.842 382 D CB 0.121 40.989 40.800 0.113 0.000 0.957 382 D HN 0.078 nan 8.370 nan 0.000 0.484 383 N N -0.877 117.895 118.700 0.121 0.000 2.685 383 N HA 0.148 4.888 4.740 -0.000 0.000 0.252 383 N C -2.424 173.141 175.510 0.092 0.000 1.261 383 N CA -1.422 51.691 53.050 0.106 0.000 0.768 383 N CB 1.604 40.151 38.487 0.101 0.000 1.304 383 N HN -0.267 nan 8.380 nan 0.000 0.536 384 P HA -0.005 nan 4.420 nan 0.000 0.221 384 P C 0.673 177.944 177.300 -0.048 0.000 1.145 384 P CA 0.873 63.980 63.100 0.011 0.000 0.795 384 P CB 0.395 32.152 31.700 0.094 0.000 0.775 385 N N -2.016 116.698 118.700 0.022 0.000 2.494 385 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 385 N C 0.129 175.676 175.510 0.062 0.000 1.076 385 N CA 0.411 53.469 53.050 0.014 0.000 0.908 385 N CB -0.349 38.166 38.487 0.047 0.000 0.967 385 N HN 0.212 nan 8.380 nan 0.000 0.449 386 Y N 2.025 122.278 120.300 -0.078 0.000 2.535 386 Y HA 0.210 4.760 4.550 0.000 0.000 0.349 386 Y C 0.761 176.607 175.900 -0.091 0.000 0.992 386 Y CA -0.448 57.622 58.100 -0.050 0.000 1.248 386 Y CB 0.295 38.740 38.460 -0.024 0.000 1.124 386 Y HN -0.267 nan 8.280 nan 0.000 0.520 387 K N 2.391 122.711 120.400 -0.133 0.000 2.504 387 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 387 K C -0.457 176.164 176.600 0.036 0.000 1.350 387 K CA 0.120 56.272 56.287 -0.225 0.000 0.953 387 K CB 0.422 32.667 32.500 -0.425 0.000 1.243 387 K HN 0.563 nan 8.250 nan 0.000 0.534 388 D N 1.255 121.745 120.400 0.150 0.000 2.343 388 D HA 0.046 4.686 4.640 -0.000 0.000 0.255 388 D C -0.486 175.840 176.300 0.043 0.000 1.187 388 D CA 0.428 54.523 54.000 0.158 0.000 0.875 388 D CB 0.155 41.050 40.800 0.158 0.000 1.136 388 D HN 0.181 nan 8.370 nan 0.000 0.469 389 H N 0.495 119.400 119.070 -0.275 0.000 2.826 389 H HA -0.139 4.417 4.556 -0.000 0.000 0.306 389 H C -0.860 174.308 175.328 -0.267 0.000 1.235 389 H CA 0.631 56.294 56.048 -0.643 0.000 1.150 389 H CB -1.439 27.993 29.762 -0.551 0.000 1.409 389 H HN 0.075 nan 8.280 nan 0.000 0.420 390 V N 0.986 120.924 119.914 0.040 0.000 2.680 390 V HA 0.659 4.779 4.120 -0.000 0.000 0.309 390 V C 0.098 176.452 176.094 0.433 0.000 1.052 390 V CA -0.553 61.764 62.300 0.027 0.000 0.908 390 V CB 1.816 33.404 31.823 -0.393 0.000 1.001 390 V HN 0.341 nan 8.190 nan 0.000 0.431 391 F N 1.100 121.175 119.950 0.208 0.000 2.629 391 F HA 1.060 5.587 4.527 0.000 0.000 0.316 391 F C 0.012 175.885 175.800 0.122 0.000 1.081 391 F CA -0.583 57.502 58.000 0.143 0.000 0.954 391 F CB 2.082 41.051 39.000 -0.052 0.000 1.337 391 F HN 0.820 nan 8.300 nan 0.000 0.474 392 G N 0.011 108.986 108.800 0.292 0.000 2.506 392 G HA2 0.395 4.355 3.960 -0.000 0.000 0.292 392 G HA3 0.395 4.355 3.960 -0.000 0.000 0.292 392 G C -2.403 172.747 174.900 0.418 0.000 1.425 392 G CA -1.079 44.163 45.100 0.237 0.000 0.788 392 G HN 0.707 nan 8.290 nan 0.000 0.490 393 Y N 1.117 121.690 120.300 0.456 0.000 2.597 393 Y HA 0.334 4.884 4.550 -0.001 0.000 0.336 393 Y C 1.596 177.664 175.900 0.279 0.000 1.216 393 Y CA 0.445 58.732 58.100 0.311 0.000 1.463 393 Y CB 0.726 39.224 38.460 0.063 0.000 1.303 393 Y HN 0.340 nan 8.280 nan 0.000 0.576 394 S N 1.901 117.835 115.700 0.389 0.000 2.546 394 S HA 0.341 4.811 4.470 -0.000 0.000 0.290 394 S C 0.130 174.557 174.600 -0.289 0.000 1.290 394 S CA -0.358 57.907 58.200 0.109 0.000 1.069 394 S CB 0.058 63.240 63.200 -0.030 0.000 0.846 394 S HN 0.723 nan 8.310 nan 0.000 0.495 395 A N 3.053 125.503 122.820 -0.617 0.000 2.312 395 A HA 0.837 5.157 4.320 -0.000 0.000 0.326 395 A C -0.749 176.093 177.584 -1.237 0.000 1.172 395 A CA -0.576 51.020 52.037 -0.734 0.000 0.821 395 A CB 0.374 19.092 19.000 -0.471 0.000 1.166 395 A HN 0.626 nan 8.150 nan 0.000 0.493 396 F N 0.192 119.867 119.950 -0.459 0.000 2.603 396 F HA 0.363 4.890 4.527 -0.001 0.000 0.317 396 F C 0.060 175.493 175.800 -0.612 0.000 1.066 396 F CA -0.933 56.610 58.000 -0.761 0.000 0.941 396 F CB 1.950 40.032 39.000 -1.530 0.000 1.291 396 F HN 0.593 nan 8.300 nan 0.000 0.472 397 D N 0.733 120.771 120.400 -0.604 0.000 3.168 397 D HA 0.149 4.789 4.640 -0.000 0.000 0.255 397 D C -0.611 175.614 176.300 -0.124 0.000 1.314 397 D CA -0.010 53.623 54.000 -0.613 0.000 0.900 397 D CB -0.697 39.394 40.800 -1.183 0.000 1.072 397 D HN -0.044 nan 8.370 nan 0.000 0.487 398 F N 0.141 120.067 119.950 -0.041 0.000 2.380 398 F HA 0.571 5.097 4.527 -0.001 0.000 0.321 398 F C 0.600 176.395 175.800 -0.008 0.000 1.103 398 F CA -1.536 56.451 58.000 -0.021 0.000 1.067 398 F CB 0.959 39.953 39.000 -0.010 0.000 1.265 398 F HN -0.077 nan 8.300 nan 0.000 0.517 399 L N 0.702 122.049 121.223 0.207 0.000 2.455 399 L HA 0.334 4.674 4.340 -0.000 0.000 0.264 399 L C -0.233 176.683 176.870 0.076 0.000 0.968 399 L CA -1.024 53.881 54.840 0.110 0.000 0.827 399 L CB 1.973 44.071 42.059 0.065 0.000 1.317 399 L HN 0.658 nan 8.230 nan 0.000 0.407 400 N N 1.750 120.488 118.700 0.064 0.000 2.710 400 N HA -0.231 4.508 4.740 -0.000 0.000 0.249 400 N C 0.877 176.397 175.510 0.016 0.000 1.059 400 N CA 0.699 53.768 53.050 0.031 0.000 0.720 400 N CB -0.655 37.835 38.487 0.006 0.000 0.983 400 N HN 1.148 nan 8.380 nan 0.000 0.544 401 G N -1.169 107.667 108.800 0.060 0.000 2.155 401 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.257 401 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.257 401 G C -0.045 174.871 174.900 0.027 0.000 0.983 401 G CA 1.046 46.187 45.100 0.068 0.000 0.676 401 G HN 0.526 nan 8.290 nan 0.000 0.528 402 K N -0.710 119.655 120.400 -0.057 0.000 2.340 402 K HA 0.577 4.896 4.320 -0.000 0.000 0.244 402 K C 0.520 176.933 176.600 -0.312 0.000 0.973 402 K CA -1.119 55.086 56.287 -0.137 0.000 0.828 402 K CB 1.745 34.228 32.500 -0.028 0.000 1.226 402 K HN 0.193 nan 8.250 nan 0.000 0.437 403 R N 0.570 120.845 120.500 -0.375 0.000 2.638 403 R HA 0.004 4.344 4.340 -0.000 0.000 0.268 403 R C -0.254 176.062 176.300 0.026 0.000 1.006 403 R CA 0.775 56.757 56.100 -0.196 0.000 1.088 403 R CB 0.455 30.710 30.300 -0.075 0.000 0.950 403 R HN 0.849 nan 8.270 nan 0.000 0.419 404 A N 3.289 126.202 122.820 0.155 0.000 1.795 404 A HA 0.536 4.855 4.320 -0.000 0.000 0.182 404 A C 0.802 178.434 177.584 0.080 0.000 2.073 404 A CA 0.483 52.579 52.037 0.098 0.000 1.402 404 A CB -0.770 18.289 19.000 0.098 0.000 0.977 404 A HN 1.083 nan 8.150 nan 0.000 0.648 405 G N -0.348 108.483 108.800 0.051 0.000 2.682 405 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.256 405 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.256 405 G C -1.491 173.465 174.900 0.093 0.000 1.333 405 G CA 0.215 45.334 45.100 0.033 0.000 0.904 405 G HN 0.395 nan 8.290 nan 0.000 0.569 406 P HA -0.002 nan 4.420 nan 0.000 0.219 406 P C 2.090 179.454 177.300 0.107 0.000 1.146 406 P CA 1.418 64.625 63.100 0.179 0.000 0.808 406 P CB -0.018 31.711 31.700 0.049 0.000 0.779 407 V N 0.135 120.086 119.914 0.061 0.000 2.407 407 V HA -0.231 3.888 4.120 -0.000 0.000 0.248 407 V C 2.271 178.387 176.094 0.037 0.000 1.055 407 V CA 2.326 64.650 62.300 0.039 0.000 1.049 407 V CB -1.567 30.282 31.823 0.044 0.000 0.662 407 V HN 0.124 nan 8.190 nan 0.000 0.455 408 A N -0.607 122.239 122.820 0.043 0.000 2.218 408 A HA 0.063 4.383 4.320 -0.000 0.000 0.209 408 A C 1.992 179.578 177.584 0.003 0.000 1.168 408 A CA 1.476 53.529 52.037 0.027 0.000 0.804 408 A CB -0.301 18.718 19.000 0.031 0.000 0.834 408 A HN 0.649 nan 8.150 nan 0.000 0.482 409 T N -4.851 109.704 114.554 0.003 0.000 3.364 409 T HA 0.128 4.478 4.350 -0.000 0.000 0.179 409 T C 1.552 176.197 174.700 -0.090 0.000 0.939 409 T CA 0.563 62.617 62.100 -0.076 0.000 1.094 409 T CB -0.604 68.183 68.868 -0.135 0.000 1.532 409 T HN 0.093 nan 8.240 nan 0.000 0.346 410 Y N 1.617 121.872 120.300 -0.075 0.000 2.151 410 Y HA 0.008 4.558 4.550 -0.000 0.000 0.284 410 Y C 2.552 178.343 175.900 -0.181 0.000 1.166 410 Y CA 1.292 59.323 58.100 -0.116 0.000 1.163 410 Y CB -0.578 37.821 38.460 -0.102 0.000 0.974 410 Y HN 0.196 nan 8.280 nan 0.000 0.511 411 L N -0.038 121.182 121.223 -0.005 0.000 2.093 411 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 411 L C 2.121 178.917 176.870 -0.124 0.000 1.085 411 L CA 1.707 56.464 54.840 -0.138 0.000 0.755 411 L CB -0.688 41.302 42.059 -0.115 0.000 0.904 411 L HN 0.155 nan 8.230 nan 0.000 0.435 412 Q N -0.605 119.158 119.800 -0.062 0.000 2.079 412 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 412 Q C 2.228 178.191 176.000 -0.061 0.000 0.974 412 Q CA 2.158 57.939 55.803 -0.037 0.000 0.840 412 Q CB -1.089 27.636 28.738 -0.022 0.000 0.898 412 Q HN 0.733 nan 8.270 nan 0.000 0.430 413 T N -1.022 113.474 114.554 -0.097 0.000 2.867 413 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 413 T C 1.992 176.605 174.700 -0.146 0.000 1.057 413 T CA 1.174 63.211 62.100 -0.105 0.000 1.136 413 T CB -0.268 68.529 68.868 -0.118 0.000 0.874 413 T HN 0.242 nan 8.240 nan 0.000 0.466 414 A N 1.880 124.536 122.820 -0.273 0.000 1.877 414 A HA 0.149 4.469 4.320 -0.000 0.000 0.216 414 A C 2.409 179.840 177.584 -0.255 0.000 1.186 414 A CA 1.268 52.979 52.037 -0.543 0.000 0.620 414 A CB -1.038 17.196 19.000 -1.277 0.000 0.822 414 A HN 0.508 nan 8.150 nan 0.000 0.443 415 L N -0.734 120.470 121.223 -0.032 0.000 2.187 415 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 415 L C 2.837 179.814 176.870 0.178 0.000 1.100 415 L CA 0.859 55.855 54.840 0.260 0.000 0.765 415 L CB -0.335 41.831 42.059 0.179 0.000 0.904 415 L HN 0.464 nan 8.230 nan 0.000 0.437 416 A N -0.419 122.448 122.820 0.078 0.000 2.168 416 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 416 A C 1.052 178.679 177.584 0.073 0.000 1.152 416 A CA 0.323 52.396 52.037 0.061 0.000 0.716 416 A CB -0.240 18.773 19.000 0.022 0.000 0.794 416 A HN 0.274 nan 8.150 nan 0.000 0.465 417 R N 0.120 120.681 120.500 0.102 0.000 2.349 417 R HA 0.270 4.610 4.340 -0.000 0.000 0.299 417 R C -1.744 174.643 176.300 0.146 0.000 1.027 417 R CA -1.737 54.426 56.100 0.106 0.000 0.958 417 R CB 0.785 31.138 30.300 0.089 0.000 1.047 417 R HN 0.125 nan 8.270 nan 0.000 0.468 418 P HA -0.128 nan 4.420 nan 0.000 0.225 418 P C 0.043 177.415 177.300 0.121 0.000 1.156 418 P CA 1.091 64.251 63.100 0.100 0.000 0.787 418 P CB 0.203 31.943 31.700 0.067 0.000 0.802 419 N N -0.738 118.047 118.700 0.141 0.000 2.370 419 N HA -0.029 4.711 4.740 -0.000 0.000 0.198 419 N C -0.353 175.309 175.510 0.254 0.000 1.156 419 N CA -0.225 52.922 53.050 0.162 0.000 0.839 419 N CB -0.367 38.200 38.487 0.133 0.000 0.989 419 N HN 0.123 nan 8.380 nan 0.000 0.468 420 F N 1.363 121.366 119.950 0.089 0.000 2.482 420 F HA 0.502 5.029 4.527 -0.000 0.000 0.331 420 F C -0.850 175.012 175.800 0.104 0.000 1.115 420 F CA -0.511 57.540 58.000 0.086 0.000 0.955 420 F CB 2.027 41.054 39.000 0.044 0.000 1.136 420 F HN -0.246 nan 8.300 nan 0.000 0.452 421 T N 7.021 121.154 114.554 -0.701 0.000 2.881 421 T HA 0.422 4.771 4.350 -0.000 0.000 0.290 421 T C -1.849 172.381 174.700 -0.784 0.000 1.000 421 T CA -0.332 61.442 62.100 -0.543 0.000 0.978 421 T CB 1.000 69.751 68.868 -0.196 0.000 0.997 421 T HN 0.397 nan 8.240 nan 0.000 0.443 422 F N 4.049 123.604 119.950 -0.657 0.000 2.493 422 F HA 0.631 5.158 4.527 -0.001 0.000 0.329 422 F C -0.824 174.856 175.800 -0.200 0.000 1.126 422 F CA -1.500 56.259 58.000 -0.402 0.000 0.937 422 F CB 1.128 40.026 39.000 -0.170 0.000 1.146 422 F HN 0.190 nan 8.300 nan 0.000 0.442 423 K N 4.831 125.030 120.400 -0.336 0.000 2.463 423 K HA 0.357 4.676 4.320 -0.000 0.000 0.255 423 K C -0.285 176.014 176.600 -0.501 0.000 0.942 423 K CA -0.517 55.537 56.287 -0.388 0.000 0.814 423 K CB 1.710 34.085 32.500 -0.209 0.000 1.122 423 K HN 0.763 nan 8.250 nan 0.000 0.425 424 T N -1.705 112.529 114.554 -0.533 0.000 2.912 424 T HA 0.250 4.600 4.350 -0.000 0.000 0.280 424 T C 0.657 175.241 174.700 -0.194 0.000 0.989 424 T CA -0.630 61.245 62.100 -0.375 0.000 0.995 424 T CB 0.957 69.597 68.868 -0.381 0.000 1.077 424 T HN 0.761 nan 8.240 nan 0.000 0.531 425 N N -0.722 117.905 118.700 -0.122 0.000 2.735 425 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 425 N C -1.162 174.309 175.510 -0.064 0.000 1.083 425 N CA 0.068 53.072 53.050 -0.076 0.000 0.703 425 N CB -0.847 37.596 38.487 -0.074 0.000 1.005 425 N HN 0.513 nan 8.380 nan 0.000 0.550 426 V N 2.158 122.033 119.914 -0.064 0.000 2.407 426 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 426 V C 0.293 176.375 176.094 -0.019 0.000 1.018 426 V CA -0.418 61.855 62.300 -0.045 0.000 0.842 426 V CB 1.547 33.332 31.823 -0.063 0.000 0.996 426 V HN 0.256 nan 8.190 nan 0.000 0.426 427 M N 5.216 124.812 119.600 -0.007 0.000 2.238 427 M HA 0.607 5.087 4.480 -0.000 0.000 0.350 427 M C -1.090 175.218 176.300 0.013 0.000 1.138 427 M CA -0.466 54.839 55.300 0.007 0.000 1.040 427 M CB 1.666 34.273 32.600 0.011 0.000 1.639 427 M HN 0.436 nan 8.290 nan 0.000 0.451 428 V N 4.369 124.294 119.914 0.018 0.000 2.407 428 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 428 V C 0.679 176.788 176.094 0.026 0.000 1.037 428 V CA -0.018 62.297 62.300 0.025 0.000 0.900 428 V CB 1.241 33.080 31.823 0.026 0.000 0.983 428 V HN 1.112 nan 8.190 nan 0.000 0.459 429 S N 3.600 119.319 115.700 0.032 0.000 2.427 429 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 429 S C 0.556 175.172 174.600 0.026 0.000 1.047 429 S CA 0.131 58.348 58.200 0.028 0.000 0.953 429 S CB 0.031 63.250 63.200 0.032 0.000 0.824 429 S HN 0.861 nan 8.310 nan 0.000 0.502 430 N N 0.482 119.205 118.700 0.039 0.000 2.823 430 N HA 0.356 5.096 4.740 -0.000 0.000 0.251 430 N C -1.065 174.483 175.510 0.063 0.000 1.392 430 N CA -0.567 52.506 53.050 0.038 0.000 0.864 430 N CB 1.839 40.348 38.487 0.037 0.000 1.481 430 N HN 0.234 nan 8.380 nan 0.000 0.508 431 V N -1.673 118.277 119.914 0.060 0.000 2.785 431 V HA 0.647 4.767 4.120 -0.000 0.000 0.300 431 V C 0.006 176.162 176.094 0.104 0.000 1.062 431 V CA -0.537 61.817 62.300 0.091 0.000 1.029 431 V CB 1.162 33.030 31.823 0.075 0.000 1.024 431 V HN 0.428 nan 8.190 nan 0.000 0.477 432 V N 5.572 125.580 119.914 0.156 0.000 2.435 432 V HA 0.722 4.842 4.120 -0.000 0.000 0.290 432 V C 0.267 176.423 176.094 0.104 0.000 1.030 432 V CA -0.488 61.883 62.300 0.117 0.000 0.881 432 V CB 1.112 32.998 31.823 0.106 0.000 0.983 432 V HN 1.213 nan 8.190 nan 0.000 0.445 433 R N 2.476 123.013 120.500 0.062 0.000 2.739 433 R HA 0.580 4.920 4.340 -0.000 0.000 0.271 433 R C -1.316 175.011 176.300 0.044 0.000 1.010 433 R CA -0.915 55.222 56.100 0.061 0.000 0.897 433 R CB 1.681 32.020 30.300 0.064 0.000 1.236 433 R HN 0.461 nan 8.270 nan 0.000 0.466 434 N N 0.522 119.247 118.700 0.042 0.000 2.696 434 N HA 0.307 5.046 4.740 -0.000 0.000 0.246 434 N C 0.295 175.828 175.510 0.039 0.000 1.057 434 N CA 1.014 54.084 53.050 0.033 0.000 0.867 434 N CB 1.237 39.737 38.487 0.022 0.000 1.141 434 N HN 0.993 nan 8.380 nan 0.000 0.517 435 G N 2.385 111.213 108.800 0.047 0.000 2.591 435 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.298 435 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.298 435 G C 0.954 175.884 174.900 0.049 0.000 1.195 435 G CA 0.722 45.851 45.100 0.049 0.000 0.989 435 G HN 0.980 nan 8.290 nan 0.000 0.551 436 S N -0.210 115.515 115.700 0.041 0.000 2.561 436 S HA 0.257 4.727 4.470 -0.000 0.000 0.225 436 S C 1.043 175.660 174.600 0.029 0.000 0.977 436 S CA 1.824 60.045 58.200 0.034 0.000 0.926 436 S CB 0.334 63.553 63.200 0.031 0.000 0.769 436 S HN 0.917 nan 8.310 nan 0.000 0.533 437 Q N 1.272 121.094 119.800 0.036 0.000 2.368 437 Q HA 0.553 4.892 4.340 -0.000 0.000 0.256 437 Q C -1.294 174.739 176.000 0.055 0.000 0.980 437 Q CA -0.629 55.199 55.803 0.041 0.000 0.887 437 Q CB 0.446 29.209 28.738 0.041 0.000 1.221 437 Q HN 0.323 nan 8.270 nan 0.000 0.458 438 I N 5.161 125.767 120.570 0.060 0.000 2.471 438 I HA 0.009 4.178 4.170 -0.000 0.000 0.286 438 I C 0.706 176.889 176.117 0.110 0.000 1.079 438 I CA 0.449 61.798 61.300 0.083 0.000 1.398 438 I CB 0.906 38.953 38.000 0.078 0.000 1.403 438 I HN 0.780 nan 8.210 nan 0.000 0.530 439 L N 5.157 126.475 121.223 0.158 0.000 2.354 439 L HA 0.441 4.780 4.340 -0.000 0.000 0.212 439 L C 1.126 178.184 176.870 0.312 0.000 1.091 439 L CA 0.311 55.290 54.840 0.232 0.000 0.828 439 L CB -0.447 41.760 42.059 0.247 0.000 0.973 439 L HN 0.863 nan 8.230 nan 0.000 0.461 440 G N -0.271 108.710 108.800 0.301 0.000 2.367 440 G HA2 0.319 4.279 3.960 -0.000 0.000 0.272 440 G HA3 0.319 4.279 3.960 -0.000 0.000 0.272 440 G C -1.687 173.327 174.900 0.189 0.000 1.271 440 G CA -0.005 45.182 45.100 0.144 0.000 0.893 440 G HN -0.104 nan 8.290 nan 0.000 0.485 441 V N -2.449 117.502 119.914 0.061 0.000 2.864 441 V HA 0.867 4.987 4.120 -0.000 0.000 0.314 441 V C -0.552 175.646 176.094 0.173 0.000 1.073 441 V CA -0.915 61.451 62.300 0.110 0.000 0.956 441 V CB 1.744 33.591 31.823 0.039 0.000 1.023 441 V HN 1.007 nan 8.190 nan 0.000 0.435 442 Q N 2.733 122.635 119.800 0.171 0.000 2.340 442 Q HA 0.656 4.996 4.340 -0.000 0.000 0.259 442 Q C -0.115 175.938 176.000 0.090 0.000 0.964 442 Q CA 0.274 56.178 55.803 0.168 0.000 0.900 442 Q CB 1.199 30.020 28.738 0.138 0.000 1.228 442 Q HN 1.265 nan 8.270 nan 0.000 0.449 443 T N 0.302 114.900 114.554 0.074 0.000 2.905 443 T HA 0.459 4.809 4.350 -0.000 0.000 0.283 443 T C 0.535 175.257 174.700 0.036 0.000 1.031 443 T CA -0.533 61.590 62.100 0.038 0.000 1.002 443 T CB 0.717 69.592 68.868 0.011 0.000 1.200 443 T HN 0.640 nan 8.240 nan 0.000 0.560 444 N N -0.354 118.357 118.700 0.020 0.000 2.235 444 N HA 0.115 4.855 4.740 -0.000 0.000 0.209 444 N C -0.647 174.868 175.510 0.008 0.000 1.122 444 N CA -0.292 52.767 53.050 0.016 0.000 0.845 444 N CB 0.066 38.559 38.487 0.009 0.000 1.004 444 N HN 0.633 nan 8.380 nan 0.000 0.499 445 D N 1.545 121.948 120.400 0.006 0.000 2.441 445 D HA 0.239 4.879 4.640 -0.000 0.000 0.231 445 D C -1.836 174.469 176.300 0.008 0.000 1.073 445 D CA -1.937 52.062 54.000 -0.002 0.000 0.850 445 D CB 2.211 43.000 40.800 -0.018 0.000 1.062 445 D HN 0.018 nan 8.370 nan 0.000 0.524 446 P HA -0.045 nan 4.420 nan 0.000 0.242 446 P C 0.945 178.255 177.300 0.016 0.000 1.197 446 P CA 0.552 63.664 63.100 0.020 0.000 0.765 446 P CB 0.077 31.788 31.700 0.019 0.000 0.936 447 T N -3.765 110.793 114.554 0.006 0.000 3.100 447 T HA 0.147 4.496 4.350 -0.000 0.000 0.253 447 T C 1.581 176.285 174.700 0.007 0.000 1.118 447 T CA 0.149 62.252 62.100 0.005 0.000 1.058 447 T CB -0.718 68.148 68.868 -0.004 0.000 0.953 447 T HN 0.047 nan 8.240 nan 0.000 0.515 448 L N 0.361 121.588 121.223 0.006 0.000 2.585 448 L HA 0.531 4.870 4.340 -0.000 0.000 0.226 448 L C 1.253 178.130 176.870 0.012 0.000 1.113 448 L CA -0.076 54.769 54.840 0.008 0.000 0.876 448 L CB 0.146 42.200 42.059 -0.010 0.000 1.072 448 L HN 0.569 nan 8.230 nan 0.000 0.468 449 G N -0.435 108.377 108.800 0.020 0.000 2.328 449 G HA2 0.193 4.153 3.960 -0.000 0.000 0.295 449 G HA3 0.193 4.153 3.960 -0.000 0.000 0.295 449 G C -3.132 171.813 174.900 0.076 0.000 1.413 449 G CA -0.725 44.396 45.100 0.035 0.000 0.817 449 G HN -0.372 nan 8.290 nan 0.000 0.546 450 P HA 0.108 nan 4.420 nan 0.000 0.264 450 P C -0.019 177.358 177.300 0.128 0.000 1.229 450 P CA 0.303 63.474 63.100 0.117 0.000 0.780 450 P CB 0.244 32.027 31.700 0.139 0.000 0.808 451 N N 3.275 122.025 118.700 0.083 0.000 2.708 451 N HA -0.231 4.508 4.740 -0.000 0.000 0.249 451 N C 1.115 176.681 175.510 0.093 0.000 1.097 451 N CA 1.805 54.899 53.050 0.073 0.000 0.710 451 N CB -1.725 36.800 38.487 0.062 0.000 1.032 451 N HN 0.828 nan 8.380 nan 0.000 0.551 452 G N -1.157 107.700 108.800 0.094 0.000 2.175 452 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.244 452 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.244 452 G C -0.068 174.908 174.900 0.128 0.000 0.982 452 G CA 0.201 45.352 45.100 0.085 0.000 0.641 452 G HN 0.478 nan 8.290 nan 0.000 0.527 453 F N 2.371 122.335 119.950 0.024 0.000 2.467 453 F HA 0.667 5.194 4.527 -0.000 0.000 0.362 453 F C 0.341 176.166 175.800 0.042 0.000 1.090 453 F CA -1.288 56.730 58.000 0.031 0.000 1.202 453 F CB 0.353 39.370 39.000 0.029 0.000 1.113 453 F HN 0.083 nan 8.300 nan 0.000 0.541 454 I N 8.957 129.120 120.570 -0.678 0.000 2.382 454 I HA 0.329 4.499 4.170 -0.000 0.000 0.286 454 I C -2.321 173.263 176.117 -0.888 0.000 1.002 454 I CA -2.072 58.886 61.300 -0.570 0.000 1.135 454 I CB 1.862 39.737 38.000 -0.208 0.000 1.288 454 I HN 0.439 nan 8.210 nan 0.000 0.448 455 P HA 0.246 nan 4.420 nan 0.000 0.281 455 P C -0.533 176.701 177.300 -0.109 0.000 1.264 455 P CA -0.333 62.507 63.100 -0.433 0.000 0.824 455 P CB 1.761 33.362 31.700 -0.165 0.000 1.092 456 V N -1.689 118.214 119.914 -0.017 0.000 2.997 456 V HA 0.531 4.650 4.120 -0.000 0.000 0.311 456 V C 0.730 176.826 176.094 0.003 0.000 1.066 456 V CA -0.589 61.721 62.300 0.016 0.000 1.039 456 V CB 0.126 31.960 31.823 0.018 0.000 1.081 456 V HN 0.738 nan 8.190 nan 0.000 0.467 457 T N -0.200 114.345 114.554 -0.016 0.000 2.802 457 T HA 0.253 4.602 4.350 -0.000 0.000 0.305 457 T C -1.540 173.153 174.700 -0.011 0.000 1.053 457 T CA -0.605 61.480 62.100 -0.025 0.000 1.058 457 T CB 0.267 69.111 68.868 -0.039 0.000 0.988 457 T HN 0.627 nan 8.240 nan 0.000 0.539 458 P HA -0.116 nan 4.420 nan 0.000 0.217 458 P C 0.903 178.206 177.300 0.005 0.000 1.151 458 P CA 1.448 64.553 63.100 0.009 0.000 0.849 458 P CB 0.041 31.746 31.700 0.009 0.000 0.787 459 K N -1.185 119.208 120.400 -0.010 0.000 2.397 459 K HA 0.231 4.551 4.320 -0.000 0.000 0.202 459 K C 1.169 177.736 176.600 -0.056 0.000 1.022 459 K CA -0.279 56.000 56.287 -0.013 0.000 1.141 459 K CB 0.284 32.779 32.500 -0.009 0.000 0.857 459 K HN 0.093 nan 8.250 nan 0.000 0.514 460 G N 1.175 109.931 108.800 -0.074 0.000 2.667 460 G HA2 0.219 4.179 3.960 -0.000 0.000 0.250 460 G HA3 0.219 4.179 3.960 -0.000 0.000 0.250 460 G C -0.447 174.376 174.900 -0.127 0.000 1.212 460 G CA -0.384 44.620 45.100 -0.160 0.000 0.874 460 G HN 0.178 nan 8.290 nan 0.000 0.561 461 R N -1.185 119.173 120.500 -0.236 0.000 2.771 461 R HA 0.531 4.871 4.340 -0.000 0.000 0.274 461 R C -1.387 174.957 176.300 0.074 0.000 0.987 461 R CA -0.816 55.264 56.100 -0.034 0.000 0.908 461 R CB 2.673 32.934 30.300 -0.065 0.000 1.213 461 R HN 0.337 nan 8.270 nan 0.000 0.468 462 V N 3.558 123.593 119.914 0.203 0.000 2.459 462 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 462 V C -0.218 176.043 176.094 0.280 0.000 1.029 462 V CA -0.602 61.813 62.300 0.193 0.000 0.874 462 V CB 1.726 33.628 31.823 0.132 0.000 0.985 462 V HN 0.566 nan 8.190 nan 0.000 0.438 463 I N 5.552 126.262 120.570 0.232 0.000 2.389 463 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 463 I C -0.571 175.631 176.117 0.141 0.000 0.999 463 I CA -0.438 60.996 61.300 0.223 0.000 1.129 463 I CB 1.673 39.779 38.000 0.177 0.000 1.288 463 I HN 0.340 nan 8.210 nan 0.000 0.444 464 L N 5.836 127.131 121.223 0.120 0.000 2.276 464 L HA 0.377 4.717 4.340 -0.000 0.000 0.286 464 L C 0.323 177.232 176.870 0.065 0.000 1.061 464 L CA 0.028 54.910 54.840 0.070 0.000 0.807 464 L CB 1.135 43.215 42.059 0.035 0.000 1.177 464 L HN 0.603 nan 8.230 nan 0.000 0.429 465 S N 1.798 117.534 115.700 0.059 0.000 2.794 465 S HA 0.246 4.716 4.470 -0.000 0.000 0.244 465 S C 0.778 175.414 174.600 0.060 0.000 1.045 465 S CA -0.239 57.996 58.200 0.059 0.000 1.114 465 S CB 1.139 64.374 63.200 0.059 0.000 1.085 465 S HN 0.723 nan 8.310 nan 0.000 0.488 466 A N 1.265 124.114 122.820 0.048 0.000 2.379 466 A HA 0.675 4.995 4.320 -0.000 0.000 0.236 466 A C 1.187 178.812 177.584 0.068 0.000 1.272 466 A CA 0.241 52.311 52.037 0.055 0.000 0.886 466 A CB -0.583 18.438 19.000 0.034 0.000 0.962 466 A HN 1.099 nan 8.150 nan 0.000 0.504 467 G N -2.162 106.680 108.800 0.069 0.000 2.795 467 G HA2 0.203 4.163 3.960 -0.000 0.000 0.664 467 G HA3 0.203 4.163 3.960 -0.000 0.000 0.664 467 G C 0.889 175.808 174.900 0.032 0.000 1.381 467 G CA -0.237 44.918 45.100 0.093 0.000 0.853 467 G HN 1.345 nan 8.290 nan 0.000 0.545 468 A N -0.500 122.334 122.820 0.023 0.000 1.892 468 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 468 A C 2.179 179.548 177.584 -0.359 0.000 1.188 468 A CA 2.725 54.648 52.037 -0.191 0.000 0.631 468 A CB -0.424 18.414 19.000 -0.270 0.000 0.822 468 A HN 1.055 nan 8.150 nan 0.000 0.447 469 F N -0.297 119.566 119.950 -0.145 0.000 2.270 469 F HA 0.146 4.672 4.527 -0.000 0.000 0.295 469 F C 2.642 178.365 175.800 -0.129 0.000 1.087 469 F CA 0.731 58.631 58.000 -0.166 0.000 1.365 469 F CB -0.789 38.103 39.000 -0.180 0.000 1.056 469 F HN 0.270 nan 8.300 nan 0.000 0.506 470 G N -0.641 108.210 108.800 0.086 0.000 2.404 470 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 470 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 470 G C 1.728 176.597 174.900 -0.051 0.000 1.174 470 G CA 1.461 46.580 45.100 0.030 0.000 0.780 470 G HN 0.254 nan 8.290 nan 0.000 0.537 471 T N 0.988 115.496 114.554 -0.076 0.000 2.737 471 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 471 T C 2.843 177.395 174.700 -0.246 0.000 1.038 471 T CA 1.492 63.521 62.100 -0.117 0.000 1.144 471 T CB -0.283 68.530 68.868 -0.091 0.000 0.866 471 T HN 0.229 nan 8.240 nan 0.000 0.434 472 S N 0.639 116.134 115.700 -0.342 0.000 2.359 472 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 472 S C 2.117 176.125 174.600 -0.986 0.000 1.035 472 S CA 1.321 59.114 58.200 -0.678 0.000 1.018 472 S CB -0.247 62.591 63.200 -0.603 0.000 0.876 472 S HN 0.430 nan 8.310 nan 0.000 0.448 473 R N 0.761 120.961 120.500 -0.499 0.000 2.091 473 R HA -0.051 4.289 4.340 -0.000 0.000 0.238 473 R C 2.157 178.348 176.300 -0.182 0.000 1.136 473 R CA 1.529 57.474 56.100 -0.258 0.000 0.959 473 R CB -0.432 29.845 30.300 -0.038 0.000 0.856 473 R HN 0.384 nan 8.270 nan 0.000 0.437 474 I N 0.811 121.287 120.570 -0.156 0.000 2.163 474 I HA -0.336 3.833 4.170 -0.000 0.000 0.243 474 I C 2.215 178.268 176.117 -0.107 0.000 1.085 474 I CA 1.329 62.577 61.300 -0.087 0.000 1.347 474 I CB -0.235 37.733 38.000 -0.055 0.000 1.044 474 I HN 0.253 nan 8.210 nan 0.000 0.408 475 L N -0.466 120.635 121.223 -0.203 0.000 2.017 475 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 475 L C 2.575 179.403 176.870 -0.071 0.000 1.073 475 L CA 1.392 56.136 54.840 -0.159 0.000 0.745 475 L CB -0.697 41.230 42.059 -0.221 0.000 0.894 475 L HN 0.128 nan 8.230 nan 0.000 0.432 476 F N 0.297 120.189 119.950 -0.098 0.000 2.126 476 F HA -0.236 4.291 4.527 -0.001 0.000 0.299 476 F C 2.638 178.334 175.800 -0.173 0.000 1.096 476 F CA 1.016 58.926 58.000 -0.150 0.000 1.255 476 F CB -1.148 37.773 39.000 -0.131 0.000 0.997 476 F HN 0.163 nan 8.300 nan 0.000 0.479 477 Q N -0.668 119.174 119.800 0.069 0.000 2.488 477 Q HA -0.038 4.302 4.340 -0.000 0.000 0.211 477 Q C 1.400 177.389 176.000 -0.018 0.000 0.967 477 Q CA 0.963 56.771 55.803 0.008 0.000 0.926 477 Q CB -0.208 28.541 28.738 0.020 0.000 0.992 477 Q HN 0.264 nan 8.270 nan 0.000 0.506 478 S N -0.858 114.827 115.700 -0.025 0.000 2.554 478 S HA 0.218 4.688 4.470 -0.000 0.000 0.226 478 S C 0.880 175.452 174.600 -0.047 0.000 0.980 478 S CA 0.327 58.518 58.200 -0.015 0.000 0.939 478 S CB 1.079 64.281 63.200 0.002 0.000 0.832 478 S HN 0.561 nan 8.310 nan 0.000 0.486 479 G N 2.112 110.812 108.800 -0.166 0.000 2.221 479 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.265 479 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.265 479 G C -0.161 174.659 174.900 -0.133 0.000 1.041 479 G CA -0.035 44.856 45.100 -0.348 0.000 0.807 479 G HN 0.538 nan 8.290 nan 0.000 0.502 480 I N 0.188 120.730 120.570 -0.047 0.000 2.439 480 I HA 0.680 4.850 4.170 -0.000 0.000 0.285 480 I C 0.669 176.843 176.117 0.095 0.000 1.021 480 I CA -0.012 61.304 61.300 0.027 0.000 1.091 480 I CB 1.576 39.587 38.000 0.019 0.000 1.242 480 I HN 0.681 nan 8.210 nan 0.000 0.439 481 G N 6.536 115.399 108.800 0.106 0.000 2.357 481 G HA2 0.093 4.052 3.960 -0.000 0.000 0.289 481 G HA3 0.093 4.052 3.960 -0.000 0.000 0.289 481 G C -3.416 171.522 174.900 0.065 0.000 1.302 481 G CA -0.933 44.274 45.100 0.177 0.000 0.936 481 G HN 0.273 nan 8.290 nan 0.000 0.513 482 P HA 0.287 nan 4.420 nan 0.000 0.271 482 P C 1.022 178.267 177.300 -0.092 0.000 1.218 482 P CA 0.258 63.335 63.100 -0.038 0.000 0.780 482 P CB 0.690 32.351 31.700 -0.065 0.000 0.901 483 T N 0.507 115.045 114.554 -0.026 0.000 2.759 483 T HA -0.171 4.178 4.350 -0.000 0.000 0.269 483 T C 1.241 175.899 174.700 -0.069 0.000 1.042 483 T CA 1.984 64.091 62.100 0.011 0.000 1.140 483 T CB -0.831 68.092 68.868 0.092 0.000 0.864 483 T HN 0.635 nan 8.240 nan 0.000 0.455 484 D N 1.184 121.525 120.400 -0.098 0.000 2.178 484 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 484 D C 1.903 178.063 176.300 -0.234 0.000 0.980 484 D CA 0.979 54.902 54.000 -0.127 0.000 0.842 484 D CB -0.406 40.331 40.800 -0.105 0.000 0.948 484 D HN 0.260 nan 8.370 nan 0.000 0.472 485 M N 0.194 119.563 119.600 -0.385 0.000 2.160 485 M HA 0.084 4.564 4.480 -0.000 0.000 0.264 485 M C 2.600 178.569 176.300 -0.553 0.000 1.073 485 M CA 0.647 55.535 55.300 -0.686 0.000 1.142 485 M CB -0.625 31.081 32.600 -1.491 0.000 1.358 485 M HN 0.073 nan 8.290 nan 0.000 0.422 486 I N 0.113 120.399 120.570 -0.473 0.000 2.286 486 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 486 I C 2.436 178.306 176.117 -0.412 0.000 1.115 486 I CA 1.252 62.235 61.300 -0.529 0.000 1.392 486 I CB -0.528 36.928 38.000 -0.906 0.000 1.065 486 I HN 0.398 nan 8.210 nan 0.000 0.418 487 Q N 0.181 119.839 119.800 -0.236 0.000 2.124 487 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 487 Q C 2.252 178.197 176.000 -0.091 0.000 0.977 487 Q CA 2.034 57.792 55.803 -0.074 0.000 0.850 487 Q CB -0.238 28.497 28.738 -0.005 0.000 0.901 487 Q HN 0.505 nan 8.270 nan 0.000 0.429 488 T N 0.442 114.909 114.554 -0.145 0.000 2.684 488 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 488 T C 2.001 176.647 174.700 -0.090 0.000 1.036 488 T CA 1.415 63.444 62.100 -0.118 0.000 1.148 488 T CB -0.276 68.498 68.868 -0.156 0.000 0.863 488 T HN 0.066 nan 8.240 nan 0.000 0.436 489 V N 1.466 121.308 119.914 -0.119 0.000 2.332 489 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 489 V C 2.588 178.653 176.094 -0.047 0.000 1.055 489 V CA 1.850 64.106 62.300 -0.074 0.000 1.038 489 V CB -0.694 31.075 31.823 -0.089 0.000 0.651 489 V HN 0.493 nan 8.190 nan 0.000 0.450 490 Q N 0.320 120.088 119.800 -0.053 0.000 2.291 490 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 490 Q C 2.241 178.253 176.000 0.021 0.000 0.976 490 Q CA 1.568 57.380 55.803 0.015 0.000 0.875 490 Q CB -0.114 28.676 28.738 0.087 0.000 0.927 490 Q HN 0.809 nan 8.270 nan 0.000 0.450 491 S N -0.081 115.619 115.700 -0.000 0.000 2.515 491 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 491 S C 0.694 175.296 174.600 0.002 0.000 0.987 491 S CA 0.088 58.289 58.200 0.002 0.000 0.936 491 S CB -0.055 63.140 63.200 -0.009 0.000 0.766 491 S HN 0.263 nan 8.310 nan 0.000 0.528 492 N N 2.320 121.021 118.700 0.001 0.000 2.462 492 N HA 0.287 5.027 4.740 -0.000 0.000 0.242 492 N C -2.309 173.207 175.510 0.011 0.000 1.010 492 N CA -1.947 51.105 53.050 0.004 0.000 0.939 492 N CB 1.677 40.164 38.487 0.001 0.000 1.127 492 N HN -0.012 nan 8.380 nan 0.000 0.509 493 P HA -0.079 nan 4.420 nan 0.000 0.216 493 P C 1.068 178.379 177.300 0.018 0.000 1.150 493 P CA 1.388 64.498 63.100 0.017 0.000 0.837 493 P CB 0.345 32.054 31.700 0.014 0.000 0.786 494 T N -0.557 114.006 114.554 0.015 0.000 2.701 494 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 494 T C 1.915 176.626 174.700 0.019 0.000 1.040 494 T CA 1.709 63.819 62.100 0.016 0.000 1.147 494 T CB -0.964 67.912 68.868 0.013 0.000 0.865 494 T HN 0.047 nan 8.240 nan 0.000 0.426 495 A N 1.277 124.106 122.820 0.016 0.000 1.969 495 A HA 0.247 4.567 4.320 -0.000 0.000 0.218 495 A C 2.603 180.200 177.584 0.022 0.000 1.169 495 A CA 1.627 53.674 52.037 0.016 0.000 0.635 495 A CB -0.960 18.046 19.000 0.010 0.000 0.810 495 A HN 0.493 nan 8.150 nan 0.000 0.445 496 A N 0.049 122.886 122.820 0.028 0.000 1.940 496 A HA 0.125 4.444 4.320 -0.000 0.000 0.219 496 A C 2.418 180.038 177.584 0.060 0.000 1.176 496 A CA 1.948 54.015 52.037 0.050 0.000 0.631 496 A CB -0.896 18.136 19.000 0.054 0.000 0.814 496 A HN 1.082 nan 8.150 nan 0.000 0.446 497 A N -0.691 122.154 122.820 0.042 0.000 2.067 497 A HA 0.270 4.590 4.320 -0.000 0.000 0.219 497 A C 2.194 179.801 177.584 0.039 0.000 1.158 497 A CA 1.690 53.750 52.037 0.039 0.000 0.661 497 A CB -0.557 18.458 19.000 0.026 0.000 0.801 497 A HN 1.026 nan 8.150 nan 0.000 0.452 498 A N -0.933 121.910 122.820 0.038 0.000 2.195 498 A HA 0.459 4.779 4.320 -0.000 0.000 0.210 498 A C 0.865 178.479 177.584 0.050 0.000 1.165 498 A CA -0.265 51.794 52.037 0.035 0.000 0.806 498 A CB -0.207 18.811 19.000 0.030 0.000 0.847 498 A HN 0.406 nan 8.150 nan 0.000 0.482 499 L N 1.135 122.400 121.223 0.071 0.000 2.461 499 L HA 0.192 4.532 4.340 -0.000 0.000 0.272 499 L C -2.068 174.908 176.870 0.175 0.000 1.197 499 L CA -1.664 53.243 54.840 0.111 0.000 0.836 499 L CB 0.347 42.498 42.059 0.153 0.000 1.105 499 L HN 0.109 nan 8.230 nan 0.000 0.477 500 P HA 0.147 nan 4.420 nan 0.000 0.272 500 P C -2.494 174.978 177.300 0.286 0.000 1.240 500 P CA -1.095 62.138 63.100 0.222 0.000 0.791 500 P CB -0.238 31.604 31.700 0.238 0.000 0.978 501 P HA -0.039 nan 4.420 nan 0.000 0.267 501 P C 0.700 177.849 177.300 -0.252 0.000 1.200 501 P CA 0.185 63.275 63.100 -0.016 0.000 0.772 501 P CB 0.624 32.296 31.700 -0.047 0.000 0.855 502 Q N 2.320 121.723 119.800 -0.662 0.000 2.152 502 Q HA -0.234 4.105 4.340 -0.000 0.000 0.206 502 Q C 1.693 177.204 176.000 -0.815 0.000 0.985 502 Q CA 1.899 56.796 55.803 -1.510 0.000 0.863 502 Q CB -0.236 27.775 28.738 -1.212 0.000 0.904 502 Q HN 0.516 nan 8.270 nan 0.000 0.422 503 N N -0.508 117.955 118.700 -0.394 0.000 2.573 503 N HA -0.175 4.565 4.740 -0.000 0.000 0.187 503 N C 0.737 176.190 175.510 -0.094 0.000 1.107 503 N CA 0.900 53.829 53.050 -0.201 0.000 0.918 503 N CB 0.059 38.468 38.487 -0.131 0.000 0.966 503 N HN 0.435 nan 8.380 nan 0.000 0.448 504 Q N -0.927 118.837 119.800 -0.060 0.000 2.247 504 Q HA 0.117 4.456 4.340 -0.000 0.000 0.211 504 Q C -0.500 175.640 176.000 0.234 0.000 0.861 504 Q CA -0.518 55.332 55.803 0.078 0.000 0.949 504 Q CB 0.290 29.084 28.738 0.093 0.000 1.115 504 Q HN 0.260 nan 8.270 nan 0.000 0.507 505 W N 1.516 122.824 121.300 0.013 0.000 2.193 505 W HA 0.151 4.811 4.660 -0.000 0.000 0.338 505 W C 0.173 176.704 176.519 0.020 0.000 1.310 505 W CA -0.599 56.757 57.345 0.019 0.000 1.243 505 W CB -0.012 29.456 29.460 0.014 0.000 1.165 505 W HN -0.016 nan 8.180 nan 0.000 0.566 506 I N 3.911 124.621 120.570 0.234 0.000 2.355 506 I HA 0.068 4.238 4.170 -0.000 0.000 0.288 506 I C 0.363 176.553 176.117 0.123 0.000 0.999 506 I CA -0.831 60.556 61.300 0.146 0.000 1.163 506 I CB 0.874 38.939 38.000 0.109 0.000 1.316 506 I HN 0.234 nan 8.210 nan 0.000 0.454 507 N N 8.471 127.235 118.700 0.107 0.000 2.415 507 N HA 0.392 5.131 4.740 -0.000 0.000 0.250 507 N C -1.238 174.305 175.510 0.055 0.000 1.127 507 N CA 0.182 53.280 53.050 0.080 0.000 0.945 507 N CB 0.404 38.933 38.487 0.070 0.000 1.196 507 N HN 0.529 nan 8.380 nan 0.000 0.499 508 L N 3.992 125.252 121.223 0.062 0.000 2.371 508 L HA 0.517 4.857 4.340 -0.000 0.000 0.262 508 L C -1.961 174.940 176.870 0.051 0.000 1.006 508 L CA -1.941 52.933 54.840 0.058 0.000 0.818 508 L CB 3.009 45.121 42.059 0.088 0.000 1.354 508 L HN 0.299 nan 8.230 nan 0.000 0.415 509 P HA 0.060 nan 4.420 nan 0.000 0.228 509 P C -0.251 177.065 177.300 0.026 0.000 1.748 509 P CA -0.070 63.043 63.100 0.021 0.000 0.909 509 P CB -0.158 31.539 31.700 -0.004 0.000 1.882 510 V N 1.029 120.983 119.914 0.065 0.000 2.485 510 V HA 0.273 4.393 4.120 -0.000 0.000 0.287 510 V C 1.826 177.981 176.094 0.103 0.000 1.022 510 V CA 1.539 63.869 62.300 0.050 0.000 1.067 510 V CB -0.163 31.696 31.823 0.060 0.000 0.967 510 V HN 0.674 nan 8.190 nan 0.000 0.479 511 G N 4.332 113.124 108.800 -0.013 0.000 2.225 511 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 511 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 511 G C 0.242 175.114 174.900 -0.046 0.000 0.988 511 G CA 0.063 45.144 45.100 -0.031 0.000 0.625 511 G HN 0.470 nan 8.290 nan 0.000 0.527 512 M N 0.278 119.860 119.600 -0.029 0.000 2.202 512 M HA 0.342 4.821 4.480 -0.000 0.000 0.316 512 M C 1.330 177.589 176.300 -0.068 0.000 1.138 512 M CA -0.074 55.199 55.300 -0.045 0.000 1.151 512 M CB -0.027 32.553 32.600 -0.032 0.000 1.422 512 M HN 0.257 nan 8.290 nan 0.000 0.471 513 N N -1.002 117.652 118.700 -0.076 0.000 2.708 513 N HA -0.148 4.591 4.740 -0.000 0.000 0.251 513 N C -0.421 175.023 175.510 -0.110 0.000 1.123 513 N CA 0.889 53.881 53.050 -0.097 0.000 0.739 513 N CB -1.195 37.234 38.487 -0.096 0.000 1.113 513 N HN 0.817 nan 8.380 nan 0.000 0.561 514 A N 0.376 123.143 122.820 -0.088 0.000 2.531 514 A HA 0.267 4.587 4.320 -0.000 0.000 0.236 514 A C 0.562 178.091 177.584 -0.092 0.000 1.062 514 A CA 0.544 52.555 52.037 -0.044 0.000 0.760 514 A CB 0.489 19.505 19.000 0.027 0.000 0.995 514 A HN 0.348 nan 8.150 nan 0.000 0.501 515 Q N 0.242 119.977 119.800 -0.109 0.000 2.331 515 Q HA 0.522 4.862 4.340 -0.000 0.000 0.272 515 Q C -1.939 173.875 176.000 -0.310 0.000 1.062 515 Q CA -0.559 55.095 55.803 -0.248 0.000 0.806 515 Q CB 2.124 30.672 28.738 -0.317 0.000 1.312 515 Q HN 0.863 nan 8.270 nan 0.000 0.431 516 D N 1.183 121.315 120.400 -0.447 0.000 2.753 516 D HA 0.299 4.938 4.640 -0.000 0.000 0.224 516 D C -1.460 174.707 176.300 -0.222 0.000 1.213 516 D CA -0.491 53.221 54.000 -0.479 0.000 0.833 516 D CB 1.401 41.626 40.800 -0.958 0.000 1.607 516 D HN 0.523 nan 8.370 nan 0.000 0.463 517 N N 2.301 120.869 118.700 -0.220 0.000 2.518 517 N HA 0.286 5.026 4.740 -0.000 0.000 0.266 517 N C -2.265 173.240 175.510 -0.009 0.000 1.196 517 N CA -0.866 52.057 53.050 -0.212 0.000 0.947 517 N CB 0.710 38.782 38.487 -0.692 0.000 1.098 517 N HN 0.221 nan 8.380 nan 0.000 0.450 518 P HA 0.114 nan 4.420 nan 0.000 0.280 518 P C -0.936 176.327 177.300 -0.062 0.000 1.386 518 P CA -0.159 62.966 63.100 0.041 0.000 0.899 518 P CB 0.603 32.358 31.700 0.091 0.000 1.098 519 S N 4.422 120.025 115.700 -0.161 0.000 2.525 519 S HA 0.514 4.984 4.470 -0.000 0.000 0.278 519 S C 0.213 174.672 174.600 -0.233 0.000 1.234 519 S CA -0.427 57.723 58.200 -0.082 0.000 1.058 519 S CB 0.248 63.416 63.200 -0.054 0.000 0.983 519 S HN 0.310 nan 8.310 nan 0.000 0.495 520 I N 3.474 123.925 120.570 -0.199 0.000 2.447 520 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 520 I C -0.327 175.778 176.117 -0.019 0.000 1.023 520 I CA -0.560 60.555 61.300 -0.308 0.000 1.083 520 I CB 1.574 39.366 38.000 -0.347 0.000 1.245 520 I HN 0.575 nan 8.210 nan 0.000 0.434 521 N N 6.581 125.376 118.700 0.159 0.000 2.472 521 N HA 0.535 5.275 4.740 -0.000 0.000 0.277 521 N C -0.925 174.696 175.510 0.185 0.000 1.081 521 N CA -0.427 52.725 53.050 0.170 0.000 0.973 521 N CB 1.451 40.044 38.487 0.177 0.000 1.105 521 N HN 0.391 nan 8.380 nan 0.000 0.470 522 L N 2.378 123.630 121.223 0.048 0.000 2.322 522 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 522 L C -0.673 176.003 176.870 -0.323 0.000 1.014 522 L CA -1.072 53.658 54.840 -0.184 0.000 0.815 522 L CB 1.588 43.576 42.059 -0.118 0.000 1.247 522 L HN 0.198 nan 8.230 nan 0.000 0.421 523 V N 2.849 122.399 119.914 -0.607 0.000 2.555 523 V HA 0.560 4.680 4.120 -0.000 0.000 0.302 523 V C -0.552 175.004 176.094 -0.898 0.000 1.038 523 V CA -0.465 61.509 62.300 -0.544 0.000 0.887 523 V CB 1.686 33.298 31.823 -0.351 0.000 0.991 523 V HN 0.419 nan 8.190 nan 0.000 0.434 524 F N 1.008 120.591 119.950 -0.613 0.000 2.640 524 F HA 0.800 5.328 4.527 0.002 0.000 0.324 524 F C 0.378 175.926 175.800 -0.419 0.000 1.077 524 F CA -0.701 56.934 58.000 -0.609 0.000 0.965 524 F CB 2.416 40.821 39.000 -0.993 0.000 1.351 524 F HN 0.521 nan 8.300 nan 0.000 0.487 525 T N -1.846 112.748 114.554 0.067 0.000 2.893 525 T HA 0.557 4.907 4.350 -0.000 0.000 0.291 525 T C -1.541 173.376 174.700 0.362 0.000 1.028 525 T CA -0.624 61.605 62.100 0.215 0.000 0.995 525 T CB 2.020 70.979 68.868 0.152 0.000 1.051 525 T HN 0.828 nan 8.240 nan 0.000 0.470 526 H N 1.601 120.841 119.070 0.284 0.000 3.038 526 H HA 0.307 4.862 4.556 -0.000 0.000 0.362 526 H C -2.797 172.612 175.328 0.136 0.000 1.167 526 H CA -1.707 54.459 56.048 0.197 0.000 1.197 526 H CB 2.694 32.579 29.762 0.205 0.000 1.840 526 H HN 0.327 nan 8.280 nan 0.000 0.540 527 P HA -0.132 nan 4.420 nan 0.000 0.221 527 P C 1.182 178.521 177.300 0.065 0.000 1.145 527 P CA 1.687 64.731 63.100 -0.093 0.000 0.795 527 P CB 0.250 31.828 31.700 -0.203 0.000 0.775 528 S N -2.128 113.735 115.700 0.272 0.000 2.562 528 S HA 0.045 4.514 4.470 -0.000 0.000 0.221 528 S C 0.960 175.660 174.600 0.167 0.000 0.975 528 S CA 0.001 58.344 58.200 0.238 0.000 0.918 528 S CB -0.653 62.716 63.200 0.282 0.000 0.772 528 S HN -0.092 nan 8.310 nan 0.000 0.531 529 I N 3.070 123.758 120.570 0.196 0.000 2.575 529 I HA 0.313 4.483 4.170 -0.000 0.000 0.285 529 I C -0.134 176.056 176.117 0.122 0.000 1.085 529 I CA -0.077 61.305 61.300 0.136 0.000 1.403 529 I CB 0.713 38.850 38.000 0.227 0.000 1.409 529 I HN 0.193 nan 8.210 nan 0.000 0.557 530 D N 4.881 125.340 120.400 0.099 0.000 2.461 530 D HA 0.420 5.059 4.640 -0.000 0.000 0.240 530 D C 0.519 176.878 176.300 0.097 0.000 1.094 530 D CA -0.471 53.583 54.000 0.090 0.000 0.868 530 D CB 1.553 42.404 40.800 0.085 0.000 1.062 530 D HN 0.584 nan 8.370 nan 0.000 0.530 531 A N 3.588 126.466 122.820 0.098 0.000 2.235 531 A HA -0.045 4.274 4.320 -0.000 0.000 0.208 531 A C 0.738 178.312 177.584 -0.016 0.000 1.172 531 A CA 0.004 52.098 52.037 0.095 0.000 0.786 531 A CB -0.703 18.375 19.000 0.130 0.000 0.804 531 A HN 0.694 nan 8.150 nan 0.000 0.479 532 Y N -0.637 119.521 120.300 -0.237 0.000 3.389 532 Y HA -0.271 4.278 4.550 -0.000 0.000 0.213 532 Y C 0.378 176.055 175.900 -0.372 0.000 1.272 532 Y CA 0.797 58.642 58.100 -0.426 0.000 1.444 532 Y CB -2.170 35.785 38.460 -0.842 0.000 1.445 532 Y HN 0.678 nan 8.280 nan 0.000 0.583 533 E N -1.133 118.924 120.200 -0.238 0.000 2.883 533 E HA -0.340 4.010 4.350 -0.000 0.000 0.271 533 E C 0.540 177.112 176.600 -0.047 0.000 1.049 533 E CA 1.357 57.667 56.400 -0.150 0.000 0.817 533 E CB -1.547 28.032 29.700 -0.201 0.000 1.407 533 E HN 0.661 nan 8.360 nan 0.000 0.434 534 N N -1.797 116.891 118.700 -0.021 0.000 2.725 534 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 534 N C -0.618 175.080 175.510 0.314 0.000 1.103 534 N CA 1.594 54.731 53.050 0.145 0.000 0.707 534 N CB -1.314 37.280 38.487 0.178 0.000 1.043 534 N HN 0.575 nan 8.380 nan 0.000 0.553 535 W N -4.761 116.649 121.300 0.184 0.000 3.207 535 W HA -0.350 4.309 4.660 -0.001 0.000 0.291 535 W C 1.516 178.133 176.519 0.163 0.000 1.105 535 W CA 0.640 58.109 57.345 0.206 0.000 0.612 535 W CB -1.940 27.643 29.460 0.205 0.000 2.140 535 W HN 0.414 nan 8.180 nan 0.000 1.420 536 A N -0.628 122.341 122.820 0.248 0.000 2.066 536 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 536 A C 1.693 179.393 177.584 0.193 0.000 1.157 536 A CA 1.849 54.010 52.037 0.207 0.000 0.670 536 A CB -0.176 18.908 19.000 0.140 0.000 0.804 536 A HN 0.277 nan 8.150 nan 0.000 0.453 537 D N -0.920 119.568 120.400 0.148 0.000 2.398 537 D HA 0.078 4.718 4.640 -0.000 0.000 0.210 537 D C 1.895 178.309 176.300 0.189 0.000 1.094 537 D CA 0.878 54.949 54.000 0.118 0.000 0.839 537 D CB 0.371 41.166 40.800 -0.009 0.000 0.963 537 D HN 0.349 nan 8.370 nan 0.000 0.506 538 V N -1.658 118.450 119.914 0.323 0.000 2.626 538 V HA -0.085 4.035 4.120 -0.000 0.000 0.252 538 V C 2.015 178.460 176.094 0.585 0.000 1.067 538 V CA 0.871 63.468 62.300 0.495 0.000 1.081 538 V CB -0.641 31.618 31.823 0.727 0.000 0.686 538 V HN 0.297 nan 8.190 nan 0.000 0.468 539 W N 2.046 123.532 121.300 0.310 0.000 2.488 539 W HA -0.071 4.588 4.660 -0.001 0.000 0.304 539 W C 2.549 179.240 176.519 0.286 0.000 1.175 539 W CA 1.875 59.386 57.345 0.277 0.000 1.365 539 W CB -0.030 29.504 29.460 0.124 0.000 1.131 539 W HN 0.506 nan 8.180 nan 0.000 0.520 540 S N 0.009 115.887 115.700 0.297 0.000 2.486 540 S HA -0.034 4.436 4.470 -0.000 0.000 0.220 540 S C 0.271 174.917 174.600 0.077 0.000 1.011 540 S CA 0.695 58.966 58.200 0.119 0.000 0.921 540 S CB -0.581 62.742 63.200 0.204 0.000 0.785 540 S HN 0.465 nan 8.310 nan 0.000 0.517 541 N N 0.445 119.183 118.700 0.064 0.000 2.679 541 N HA 0.337 5.076 4.740 -0.000 0.000 0.240 541 N C -3.257 172.198 175.510 -0.092 0.000 1.537 541 N CA -1.266 51.771 53.050 -0.021 0.000 0.793 541 N CB 0.947 39.432 38.487 -0.003 0.000 1.391 541 N HN 0.124 nan 8.380 nan 0.000 0.524 542 P HA 0.080 nan 4.420 nan 0.000 0.272 542 P C -0.444 176.720 177.300 -0.228 0.000 1.240 542 P CA -0.253 62.707 63.100 -0.233 0.000 0.791 542 P CB 0.930 32.291 31.700 -0.565 0.000 0.978 543 R N 1.978 122.363 120.500 -0.192 0.000 2.480 543 R HA 0.034 4.374 4.340 -0.000 0.000 0.303 543 R C -1.407 174.811 176.300 -0.138 0.000 0.985 543 R CA -0.901 55.104 56.100 -0.157 0.000 1.051 543 R CB -0.466 29.745 30.300 -0.147 0.000 0.935 543 R HN 0.412 nan 8.270 nan 0.000 0.410 544 P HA -0.184 nan 4.420 nan 0.000 0.216 544 P C 0.855 178.104 177.300 -0.085 0.000 1.150 544 P CA 1.312 64.336 63.100 -0.125 0.000 0.837 544 P CB 0.209 31.858 31.700 -0.085 0.000 0.786 545 A N -0.315 122.480 122.820 -0.042 0.000 1.969 545 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 545 A C 1.904 179.496 177.584 0.013 0.000 1.169 545 A CA 1.744 53.776 52.037 -0.009 0.000 0.635 545 A CB -1.162 17.843 19.000 0.009 0.000 0.810 545 A HN 0.076 nan 8.150 nan 0.000 0.445 546 D N 0.223 120.643 120.400 0.033 0.000 2.123 546 D HA 0.006 4.646 4.640 -0.000 0.000 0.200 546 D C 2.267 178.659 176.300 0.154 0.000 0.976 546 D CA 1.431 55.502 54.000 0.118 0.000 0.831 546 D CB -0.459 40.451 40.800 0.184 0.000 0.974 546 D HN 0.392 nan 8.370 nan 0.000 0.469 547 A N 1.286 124.051 122.820 -0.092 0.000 1.877 547 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 547 A C 2.336 179.876 177.584 -0.072 0.000 1.186 547 A CA 2.375 54.128 52.037 -0.474 0.000 0.620 547 A CB -0.851 17.538 19.000 -1.017 0.000 0.822 547 A HN 0.229 nan 8.150 nan 0.000 0.443 548 A N -0.853 121.945 122.820 -0.038 0.000 1.908 548 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 548 A C 2.217 179.829 177.584 0.047 0.000 1.181 548 A CA 1.945 53.996 52.037 0.023 0.000 0.627 548 A CB -0.645 18.356 19.000 0.002 0.000 0.818 548 A HN 0.690 nan 8.150 nan 0.000 0.445 549 Q N -2.026 117.806 119.800 0.053 0.000 2.096 549 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 549 Q C 1.961 177.999 176.000 0.062 0.000 0.982 549 Q CA 2.092 57.923 55.803 0.046 0.000 0.850 549 Q CB -0.331 28.423 28.738 0.027 0.000 0.901 549 Q HN 0.760 nan 8.270 nan 0.000 0.422 550 Y N 0.653 120.976 120.300 0.038 0.000 2.200 550 Y HA -0.171 4.380 4.550 0.000 0.000 0.290 550 Y C 1.800 177.735 175.900 0.059 0.000 1.137 550 Y CA 1.486 59.628 58.100 0.069 0.000 1.163 550 Y CB -0.081 38.471 38.460 0.154 0.000 0.988 550 Y HN 0.106 nan 8.280 nan 0.000 0.518 551 L N -0.708 120.585 121.223 0.116 0.000 2.141 551 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 551 L C 2.703 179.534 176.870 -0.065 0.000 1.094 551 L CA 1.021 55.877 54.840 0.027 0.000 0.763 551 L CB -0.917 41.208 42.059 0.110 0.000 0.908 551 L HN 0.305 nan 8.230 nan 0.000 0.437 552 A N 1.132 123.924 122.820 -0.046 0.000 1.873 552 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 552 A C 1.560 179.095 177.584 -0.082 0.000 1.186 552 A CA 1.945 53.953 52.037 -0.049 0.000 0.616 552 A CB -0.464 18.522 19.000 -0.023 0.000 0.823 552 A HN 0.750 nan 8.150 nan 0.000 0.442 553 N N -3.683 114.942 118.700 -0.124 0.000 2.162 553 N HA 0.201 4.941 4.740 -0.000 0.000 0.232 553 N C -0.594 174.793 175.510 -0.204 0.000 1.361 553 N CA 0.133 53.105 53.050 -0.130 0.000 0.786 553 N CB 0.364 38.813 38.487 -0.063 0.000 1.290 553 N HN 0.029 nan 8.380 nan 0.000 0.505 554 Q N 0.127 119.681 119.800 -0.410 0.000 2.468 554 Q HA -0.130 4.210 4.340 -0.000 0.000 0.289 554 Q C -1.101 174.787 176.000 -0.186 0.000 1.299 554 Q CA 0.833 56.243 55.803 -0.656 0.000 0.838 554 Q CB -2.066 26.337 28.738 -0.558 0.000 1.195 554 Q HN 0.545 nan 8.270 nan 0.000 0.456 555 S N -1.334 114.317 115.700 -0.082 0.000 2.689 555 S HA 0.943 5.413 4.470 -0.000 0.000 0.306 555 S C 0.610 175.152 174.600 -0.097 0.000 1.104 555 S CA -0.198 57.992 58.200 -0.017 0.000 0.973 555 S CB 2.045 65.246 63.200 0.001 0.000 1.121 555 S HN 1.036 nan 8.310 nan 0.000 0.523 556 G N -0.135 108.352 108.800 -0.522 0.000 2.526 556 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.250 556 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.250 556 G C 0.453 174.957 174.900 -0.660 0.000 1.289 556 G CA -0.394 44.014 45.100 -1.154 0.000 0.947 556 G HN 0.746 nan 8.290 nan 0.000 0.517 557 V N -0.127 119.493 119.914 -0.489 0.000 2.317 557 V HA -0.173 3.946 4.120 -0.000 0.000 0.251 557 V C 2.577 178.503 176.094 -0.279 0.000 1.065 557 V CA 3.128 65.236 62.300 -0.319 0.000 1.049 557 V CB -0.799 30.721 31.823 -0.505 0.000 0.651 557 V HN 0.517 nan 8.190 nan 0.000 0.450 558 F N 0.320 120.210 119.950 -0.100 0.000 2.604 558 F HA 0.128 4.655 4.527 -0.000 0.000 0.298 558 F C 2.172 177.810 175.800 -0.270 0.000 1.131 558 F CA 0.740 58.609 58.000 -0.217 0.000 1.457 558 F CB -0.588 38.139 39.000 -0.456 0.000 1.095 558 F HN 0.093 nan 8.300 nan 0.000 0.574 559 A N -0.178 122.717 122.820 0.125 0.000 2.206 559 A HA 0.386 4.706 4.320 -0.000 0.000 0.211 559 A C 1.437 179.020 177.584 -0.002 0.000 1.158 559 A CA 0.866 52.994 52.037 0.152 0.000 0.761 559 A CB -0.874 18.253 19.000 0.212 0.000 0.801 559 A HN 0.253 nan 8.150 nan 0.000 0.473 560 G N -1.974 106.804 108.800 -0.038 0.000 2.533 560 G HA2 0.590 4.550 3.960 -0.000 0.000 0.304 560 G HA3 0.590 4.550 3.960 -0.000 0.000 0.304 560 G C -0.071 174.731 174.900 -0.163 0.000 1.263 560 G CA -0.003 45.016 45.100 -0.135 0.000 0.964 560 G HN 0.514 nan 8.290 nan 0.000 0.479 561 A N 0.177 122.806 122.820 -0.318 0.000 2.260 561 A HA 0.552 4.872 4.320 -0.000 0.000 0.278 561 A C 2.053 179.631 177.584 -0.010 0.000 1.269 561 A CA 0.678 52.640 52.037 -0.125 0.000 0.824 561 A CB -0.030 18.887 19.000 -0.139 0.000 1.238 561 A HN 1.525 nan 8.150 nan 0.000 0.507 562 S N -0.753 114.903 115.700 -0.073 0.000 2.383 562 S HA -0.002 4.468 4.470 -0.000 0.000 0.227 562 S C -1.688 173.052 174.600 0.234 0.000 1.026 562 S CA 0.527 58.687 58.200 -0.068 0.000 0.981 562 S CB -1.724 61.237 63.200 -0.398 0.000 0.818 562 S HN 0.510 nan 8.310 nan 0.000 0.472 563 P HA 0.195 nan 4.420 nan 0.000 0.268 563 P C 0.408 177.928 177.300 0.367 0.000 1.205 563 P CA 0.018 63.298 63.100 0.300 0.000 0.771 563 P CB 0.610 32.468 31.700 0.263 0.000 0.858 564 K N 1.590 122.184 120.400 0.324 0.000 2.443 564 K HA 0.298 4.617 4.320 -0.000 0.000 0.200 564 K C 0.267 177.137 176.600 0.450 0.000 1.278 564 K CA 0.299 56.815 56.287 0.381 0.000 0.925 564 K CB 0.420 33.128 32.500 0.348 0.000 1.225 564 K HN 0.325 nan 8.250 nan 0.000 0.514 565 L N 1.473 122.897 121.223 0.334 0.000 2.431 565 L HA 0.460 4.800 4.340 -0.000 0.000 0.266 565 L C -1.724 175.234 176.870 0.147 0.000 0.978 565 L CA -0.534 54.490 54.840 0.307 0.000 0.822 565 L CB 1.924 44.028 42.059 0.074 0.000 1.310 565 L HN -0.024 nan 8.230 nan 0.000 0.409 566 N N 3.999 122.764 118.700 0.109 0.000 2.238 566 N HA 0.641 5.381 4.740 -0.000 0.000 0.302 566 N C -1.618 173.737 175.510 -0.258 0.000 1.072 566 N CA -0.185 52.714 53.050 -0.252 0.000 0.792 566 N CB 2.472 40.734 38.487 -0.374 0.000 1.425 566 N HN 0.498 nan 8.380 nan 0.000 0.478 567 F N -1.312 118.207 119.950 -0.717 0.000 2.645 567 F HA 0.752 5.278 4.527 -0.001 0.000 0.310 567 F C -1.619 173.845 175.800 -0.560 0.000 1.102 567 F CA -1.029 56.751 58.000 -0.368 0.000 0.952 567 F CB 1.739 40.622 39.000 -0.196 0.000 1.326 567 F HN 0.269 nan 8.300 nan 0.000 0.456 568 W N 1.504 122.958 121.300 0.257 0.000 3.033 568 W HA 0.678 5.339 4.660 0.001 0.000 0.336 568 W C -1.040 175.593 176.519 0.191 0.000 1.173 568 W CA -0.942 56.491 57.345 0.147 0.000 1.185 568 W CB 2.652 32.144 29.460 0.053 0.000 1.425 568 W HN 0.784 nan 8.180 nan 0.000 0.536 569 R N 1.145 121.844 120.500 0.333 0.000 2.566 569 R HA 0.629 4.969 4.340 -0.000 0.000 0.271 569 R C -1.257 174.918 176.300 -0.208 0.000 1.071 569 R CA -0.399 55.661 56.100 -0.067 0.000 0.915 569 R CB 1.887 32.074 30.300 -0.189 0.000 1.228 569 R HN 0.522 nan 8.270 nan 0.000 0.449 570 A N 3.199 125.698 122.820 -0.535 0.000 2.303 570 A HA 0.629 4.949 4.320 -0.000 0.000 0.317 570 A C -1.563 175.681 177.584 -0.565 0.000 1.149 570 A CA -0.278 51.289 52.037 -0.784 0.000 0.822 570 A CB 0.566 19.059 19.000 -0.846 0.000 1.131 570 A HN 0.637 nan 8.150 nan 0.000 0.493 571 Y N 0.378 120.555 120.300 -0.204 0.000 2.477 571 Y HA 0.437 4.987 4.550 0.000 0.000 0.347 571 Y C 0.761 176.640 175.900 -0.036 0.000 0.981 571 Y CA -0.334 57.726 58.100 -0.067 0.000 1.033 571 Y CB 2.290 40.738 38.460 -0.020 0.000 1.245 571 Y HN 0.792 nan 8.280 nan 0.000 0.455 572 S N 1.059 116.826 115.700 0.112 0.000 2.584 572 S HA 0.769 5.239 4.470 -0.000 0.000 0.273 572 S C 0.125 174.799 174.600 0.123 0.000 1.311 572 S CA -0.350 57.901 58.200 0.085 0.000 1.034 572 S CB 1.239 64.467 63.200 0.046 0.000 0.939 572 S HN 0.924 nan 8.310 nan 0.000 0.513 573 G N 0.283 109.147 108.800 0.107 0.000 2.453 573 G HA2 0.476 4.435 3.960 -0.000 0.000 0.323 573 G HA3 0.476 4.435 3.960 -0.000 0.000 0.323 573 G C 0.678 175.624 174.900 0.077 0.000 1.198 573 G CA -0.416 44.751 45.100 0.111 0.000 0.959 573 G HN 0.945 nan 8.290 nan 0.000 0.482 574 S N -0.169 115.574 115.700 0.072 0.000 2.447 574 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 574 S C 1.305 175.934 174.600 0.048 0.000 1.006 574 S CA 1.521 59.751 58.200 0.051 0.000 0.957 574 S CB -0.035 63.192 63.200 0.046 0.000 0.773 574 S HN 0.626 nan 8.310 nan 0.000 0.507 575 D N 0.199 120.650 120.400 0.085 0.000 2.328 575 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 575 D C 1.396 177.679 176.300 -0.028 0.000 1.072 575 D CA 0.517 54.573 54.000 0.093 0.000 0.850 575 D CB -0.545 40.389 40.800 0.223 0.000 0.922 575 D HN 0.543 nan 8.370 nan 0.000 0.516 576 G N -0.509 108.258 108.800 -0.055 0.000 2.176 576 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.253 576 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.253 576 G C -0.129 174.605 174.900 -0.277 0.000 0.979 576 G CA -0.097 44.885 45.100 -0.196 0.000 0.641 576 G HN 0.297 nan 8.290 nan 0.000 0.530 577 F N 1.967 121.939 119.950 0.036 0.000 2.404 577 F HA 0.565 5.092 4.527 -0.000 0.000 0.345 577 F C 1.057 176.890 175.800 0.054 0.000 1.110 577 F CA -0.213 57.812 58.000 0.041 0.000 1.130 577 F CB 1.618 40.644 39.000 0.042 0.000 1.129 577 F HN -0.099 nan 8.300 nan 0.000 0.500 578 T N 4.624 119.313 114.554 0.224 0.000 2.794 578 T HA 0.407 4.757 4.350 -0.000 0.000 0.296 578 T C 0.169 174.995 174.700 0.210 0.000 0.949 578 T CA -0.468 61.731 62.100 0.165 0.000 1.101 578 T CB 0.266 69.211 68.868 0.129 0.000 0.905 578 T HN 0.427 nan 8.240 nan 0.000 0.516 579 R N 1.814 122.422 120.500 0.181 0.000 2.664 579 R HA 0.508 4.848 4.340 -0.000 0.000 0.286 579 R C -1.185 175.234 176.300 0.197 0.000 0.967 579 R CA -0.739 55.498 56.100 0.228 0.000 0.933 579 R CB 1.344 31.760 30.300 0.192 0.000 1.146 579 R HN 0.533 nan 8.270 nan 0.000 0.468 580 Y N 0.240 120.672 120.300 0.219 0.000 2.387 580 Y HA 0.522 5.072 4.550 -0.001 0.000 0.336 580 Y C 0.195 176.259 175.900 0.274 0.000 1.067 580 Y CA -0.565 57.692 58.100 0.261 0.000 1.114 580 Y CB 2.109 40.710 38.460 0.235 0.000 1.208 580 Y HN 0.640 nan 8.280 nan 0.000 0.458 581 A N 3.219 126.270 122.820 0.385 0.000 2.312 581 A HA 0.628 4.947 4.320 -0.000 0.000 0.328 581 A C -0.943 176.681 177.584 0.067 0.000 1.158 581 A CA -0.682 51.486 52.037 0.217 0.000 0.821 581 A CB 1.176 20.288 19.000 0.186 0.000 1.170 581 A HN 0.734 nan 8.150 nan 0.000 0.490 582 Q N 1.108 120.731 119.800 -0.295 0.000 2.356 582 Q HA 0.567 4.907 4.340 -0.000 0.000 0.270 582 Q C -0.383 174.930 176.000 -1.145 0.000 1.058 582 Q CA -0.618 54.629 55.803 -0.927 0.000 0.802 582 Q CB 2.000 30.115 28.738 -1.038 0.000 1.303 582 Q HN 0.932 nan 8.270 nan 0.000 0.444 583 G N 1.386 109.165 108.800 -1.702 0.000 2.388 583 G HA2 0.596 4.556 3.960 -0.000 0.000 0.330 583 G HA3 0.596 4.556 3.960 -0.000 0.000 0.330 583 G C -1.031 173.194 174.900 -1.125 0.000 1.142 583 G CA -0.244 43.805 45.100 -1.753 0.000 0.908 583 G HN 0.492 nan 8.290 nan 0.000 0.473 584 T N 0.982 115.194 114.554 -0.571 0.000 2.881 584 T HA 0.453 4.802 4.350 -0.000 0.000 0.291 584 T C -0.433 174.244 174.700 -0.039 0.000 0.990 584 T CA -0.294 61.660 62.100 -0.243 0.000 0.976 584 T CB 1.678 70.463 68.868 -0.138 0.000 0.970 584 T HN 0.354 nan 8.240 nan 0.000 0.438 585 V N 4.994 124.946 119.914 0.062 0.000 2.435 585 V HA 0.731 4.851 4.120 -0.000 0.000 0.290 585 V C 0.084 176.305 176.094 0.212 0.000 1.030 585 V CA -0.882 61.517 62.300 0.165 0.000 0.881 585 V CB 1.364 33.258 31.823 0.119 0.000 0.983 585 V HN 0.900 nan 8.190 nan 0.000 0.445 586 R N 4.891 125.559 120.500 0.281 0.000 2.698 586 R HA 0.664 5.004 4.340 -0.000 0.000 0.275 586 R C -3.235 173.308 176.300 0.405 0.000 1.001 586 R CA -1.900 54.392 56.100 0.321 0.000 0.896 586 R CB 2.488 32.961 30.300 0.288 0.000 1.218 586 R HN 0.401 nan 8.270 nan 0.000 0.462 587 P HA 0.238 nan 4.420 nan 0.000 0.272 587 P C 0.130 177.753 177.300 0.538 0.000 1.223 587 P CA 0.902 64.261 63.100 0.431 0.000 0.784 587 P CB 0.944 32.825 31.700 0.302 0.000 0.923 588 G N 0.247 109.293 108.800 0.410 0.000 2.756 588 G HA2 0.346 4.306 3.960 -0.000 0.000 0.678 588 G HA3 0.346 4.306 3.960 -0.000 0.000 0.678 588 G C -1.250 173.830 174.900 0.299 0.000 1.349 588 G CA -0.276 45.050 45.100 0.375 0.000 0.847 588 G HN 0.749 nan 8.290 nan 0.000 0.548 589 A N -1.038 121.918 122.820 0.227 0.000 2.547 589 A HA 1.029 5.349 4.320 -0.000 0.000 0.297 589 A C 0.687 178.340 177.584 0.114 0.000 1.056 589 A CA 0.720 52.838 52.037 0.136 0.000 0.688 589 A CB 1.127 20.160 19.000 0.055 0.000 1.282 589 A HN 2.568 nan 8.150 nan 0.000 0.400 590 A N 0.700 123.563 122.820 0.071 0.000 1.930 590 A HA 0.464 4.784 4.320 -0.000 0.000 0.215 590 A C 1.192 178.795 177.584 0.031 0.000 1.176 590 A CA 1.760 53.825 52.037 0.047 0.000 0.632 590 A CB -0.194 18.809 19.000 0.005 0.000 0.819 590 A HN 1.848 nan 8.150 nan 0.000 0.445 591 S N -1.310 114.395 115.700 0.007 0.000 2.548 591 S HA 0.575 5.045 4.470 -0.000 0.000 0.276 591 S C -1.484 173.091 174.600 -0.042 0.000 1.129 591 S CA -0.487 57.704 58.200 -0.015 0.000 0.931 591 S CB 1.618 64.790 63.200 -0.046 0.000 1.068 591 S HN 0.338 nan 8.310 nan 0.000 0.480 592 V N 4.354 124.238 119.914 -0.050 0.000 2.638 592 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 592 V C -0.655 175.394 176.094 -0.076 0.000 1.052 592 V CA -0.878 61.346 62.300 -0.127 0.000 0.885 592 V CB 1.968 33.660 31.823 -0.218 0.000 0.999 592 V HN 0.880 nan 8.190 nan 0.000 0.424 593 N N 2.454 121.095 118.700 -0.099 0.000 2.841 593 N HA 0.305 5.045 4.740 -0.000 0.000 0.257 593 N C -1.020 174.445 175.510 -0.076 0.000 1.396 593 N CA 0.060 53.078 53.050 -0.052 0.000 0.823 593 N CB 1.358 39.831 38.487 -0.022 0.000 1.162 593 N HN 0.619 nan 8.380 nan 0.000 0.503 594 S N 0.603 116.273 115.700 -0.050 0.000 2.473 594 S HA 0.370 4.839 4.470 -0.000 0.000 0.307 594 S C 1.005 175.621 174.600 0.026 0.000 1.094 594 S CA -0.482 57.695 58.200 -0.039 0.000 1.070 594 S CB 0.741 63.907 63.200 -0.056 0.000 1.019 594 S HN 0.462 nan 8.310 nan 0.000 0.480 595 S N 4.581 120.284 115.700 0.006 0.000 2.527 595 S HA 0.268 4.738 4.470 -0.000 0.000 0.222 595 S C 0.448 175.065 174.600 0.029 0.000 0.985 595 S CA -0.075 58.135 58.200 0.016 0.000 0.921 595 S CB -0.523 62.678 63.200 0.001 0.000 0.772 595 S HN 0.620 nan 8.310 nan 0.000 0.529 596 L N 1.667 122.914 121.223 0.040 0.000 2.331 596 L HA 0.560 4.899 4.340 -0.000 0.000 0.275 596 L C -2.624 174.310 176.870 0.106 0.000 1.022 596 L CA -2.768 52.103 54.840 0.051 0.000 0.812 596 L CB 0.781 42.859 42.059 0.033 0.000 1.257 596 L HN -0.099 nan 8.230 nan 0.000 0.435 597 P HA 0.130 nan 4.420 nan 0.000 0.269 597 P C -1.587 175.790 177.300 0.128 0.000 1.209 597 P CA 0.160 63.287 63.100 0.045 0.000 0.776 597 P CB 0.313 32.008 31.700 -0.008 0.000 0.876 598 Y N -0.963 119.331 120.300 -0.010 0.000 2.625 598 Y HA 0.565 5.113 4.550 -0.003 0.000 0.338 598 Y C -0.910 174.992 175.900 0.003 0.000 1.123 598 Y CA -1.516 56.580 58.100 -0.006 0.000 1.046 598 Y CB 1.033 39.485 38.460 -0.013 0.000 1.299 598 Y HN 0.125 nan 8.280 nan 0.000 0.464 599 N N 1.218 119.978 118.700 0.101 0.000 2.420 599 N HA 0.325 5.065 4.740 -0.000 0.000 0.249 599 N C 0.485 176.084 175.510 0.147 0.000 1.033 599 N CA 0.485 53.551 53.050 0.027 0.000 0.944 599 N CB 1.809 40.329 38.487 0.056 0.000 1.113 599 N HN 0.991 nan 8.380 nan 0.000 0.502 600 A N 2.857 125.696 122.820 0.031 0.000 2.067 600 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 600 A C 1.865 179.544 177.584 0.159 0.000 1.158 600 A CA 1.171 53.316 52.037 0.179 0.000 0.661 600 A CB -0.199 18.840 19.000 0.065 0.000 0.801 600 A HN 0.666 nan 8.150 nan 0.000 0.452 601 S N -0.346 115.411 115.700 0.096 0.000 2.555 601 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 601 S C 1.394 176.067 174.600 0.123 0.000 0.978 601 S CA 0.961 59.210 58.200 0.082 0.000 0.934 601 S CB -0.080 63.145 63.200 0.042 0.000 0.766 601 S HN 0.750 nan 8.310 nan 0.000 0.533 602 Q N 0.637 120.537 119.800 0.167 0.000 2.194 602 Q HA 0.308 4.648 4.340 -0.000 0.000 0.214 602 Q C 0.208 176.379 176.000 0.285 0.000 0.838 602 Q CA -0.187 55.740 55.803 0.208 0.000 0.972 602 Q CB 0.310 29.155 28.738 0.179 0.000 1.131 602 Q HN 0.655 nan 8.270 nan 0.000 0.498 603 I N -1.108 119.618 120.570 0.260 0.000 2.519 603 I HA 0.538 4.708 4.170 -0.000 0.000 0.287 603 I C -0.442 175.889 176.117 0.356 0.000 1.047 603 I CA -0.878 60.562 61.300 0.234 0.000 1.381 603 I CB 0.427 38.511 38.000 0.140 0.000 1.417 603 I HN -0.114 nan 8.210 nan 0.000 0.540 604 F N 1.906 121.958 119.950 0.169 0.000 2.645 604 F HA 0.761 5.289 4.527 0.001 0.000 0.310 604 F C -1.072 174.859 175.800 0.219 0.000 1.102 604 F CA -0.729 57.384 58.000 0.189 0.000 0.952 604 F CB 1.494 40.593 39.000 0.165 0.000 1.326 604 F HN 0.422 nan 8.300 nan 0.000 0.456 605 T N 3.025 117.780 114.554 0.336 0.000 2.829 605 T HA 0.642 4.992 4.350 -0.000 0.000 0.280 605 T C -0.538 174.349 174.700 0.311 0.000 0.999 605 T CA -0.462 61.764 62.100 0.211 0.000 0.983 605 T CB 1.440 70.407 68.868 0.166 0.000 0.968 605 T HN 0.558 nan 8.240 nan 0.000 0.446 606 I N 2.829 123.571 120.570 0.286 0.000 2.355 606 I HA 0.272 4.441 4.170 -0.000 0.000 0.288 606 I C 0.177 176.364 176.117 0.117 0.000 0.999 606 I CA -0.635 60.803 61.300 0.229 0.000 1.163 606 I CB 1.455 39.627 38.000 0.287 0.000 1.316 606 I HN 0.498 nan 8.210 nan 0.000 0.454 607 T N 5.980 120.548 114.554 0.022 0.000 2.743 607 T HA 0.407 4.757 4.350 -0.000 0.000 0.293 607 T C 0.009 174.608 174.700 -0.169 0.000 0.945 607 T CA -0.363 61.719 62.100 -0.031 0.000 1.030 607 T CB 1.444 70.305 68.868 -0.012 0.000 0.912 607 T HN 0.175 nan 8.240 nan 0.000 0.483 608 V N 5.390 125.225 119.914 -0.132 0.000 2.513 608 V HA 0.658 4.778 4.120 -0.000 0.000 0.299 608 V C -0.773 175.255 176.094 -0.109 0.000 1.035 608 V CA -0.848 61.326 62.300 -0.209 0.000 0.889 608 V CB 0.875 32.638 31.823 -0.099 0.000 0.988 608 V HN 0.885 nan 8.190 nan 0.000 0.440 609 Y N 3.049 123.274 120.300 -0.126 0.000 2.669 609 Y HA 0.850 5.400 4.550 -0.001 0.000 0.335 609 Y C -1.176 174.707 175.900 -0.029 0.000 1.116 609 Y CA -1.985 56.067 58.100 -0.079 0.000 1.081 609 Y CB 1.171 39.598 38.460 -0.055 0.000 1.297 609 Y HN 0.395 nan 8.280 nan 0.000 0.484 610 L N 1.632 123.050 121.223 0.324 0.000 2.334 610 L HA 0.703 5.042 4.340 -0.000 0.000 0.270 610 L C 0.317 177.383 176.870 0.327 0.000 1.018 610 L CA -0.233 54.772 54.840 0.275 0.000 0.811 610 L CB 2.061 44.209 42.059 0.147 0.000 1.271 610 L HN 1.068 nan 8.230 nan 0.000 0.443 611 S N -1.142 114.762 115.700 0.340 0.000 3.830 611 S HA 0.156 4.626 4.470 -0.000 0.000 0.172 611 S C 0.346 175.142 174.600 0.327 0.000 0.966 611 S CA -0.313 58.068 58.200 0.301 0.000 1.124 611 S CB 0.223 63.658 63.200 0.391 0.000 1.697 611 S HN 0.477 nan 8.310 nan 0.000 0.872 612 T N 1.972 116.708 114.554 0.304 0.000 2.946 612 T HA 0.438 4.788 4.350 -0.000 0.000 0.312 612 T C 1.391 176.229 174.700 0.229 0.000 1.066 612 T CA 1.430 63.659 62.100 0.214 0.000 1.138 612 T CB -0.021 68.926 68.868 0.131 0.000 1.014 612 T HN 1.621 nan 8.240 nan 0.000 0.544 613 G N 2.331 111.119 108.800 -0.019 0.000 2.245 613 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 613 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 613 G C 0.401 175.347 174.900 0.076 0.000 0.985 613 G CA 0.274 45.375 45.100 0.002 0.000 0.625 613 G HN 1.091 nan 8.290 nan 0.000 0.536 614 I N -1.871 118.843 120.570 0.240 0.000 2.813 614 I HA 0.396 4.566 4.170 -0.000 0.000 0.287 614 I C 1.069 177.218 176.117 0.053 0.000 1.196 614 I CA 0.007 61.382 61.300 0.125 0.000 1.421 614 I CB 0.580 38.628 38.000 0.079 0.000 1.365 614 I HN -0.039 nan 8.210 nan 0.000 0.591 615 Q N 3.063 122.816 119.800 -0.079 0.000 2.317 615 Q HA 0.218 4.557 4.340 -0.000 0.000 0.220 615 Q C 0.379 176.308 176.000 -0.119 0.000 0.873 615 Q CA 0.126 55.836 55.803 -0.155 0.000 0.936 615 Q CB 0.410 29.029 28.738 -0.199 0.000 1.105 615 Q HN 0.808 nan 8.270 nan 0.000 0.520 616 S N 1.990 117.630 115.700 -0.100 0.000 2.549 616 S HA 0.186 4.656 4.470 -0.000 0.000 0.286 616 S C 0.238 174.740 174.600 -0.163 0.000 1.314 616 S CA 0.155 58.285 58.200 -0.116 0.000 1.062 616 S CB 0.593 63.730 63.200 -0.105 0.000 0.865 616 S HN 0.077 nan 8.310 nan 0.000 0.498 617 R N 1.193 121.602 120.500 -0.151 0.000 2.744 617 R HA 0.688 5.028 4.340 -0.000 0.000 0.279 617 R C 0.342 176.547 176.300 -0.159 0.000 0.977 617 R CA -0.611 55.392 56.100 -0.161 0.000 0.906 617 R CB 1.891 32.115 30.300 -0.127 0.000 1.197 617 R HN 0.749 nan 8.270 nan 0.000 0.463 618 G N 0.455 109.155 108.800 -0.167 0.000 3.262 618 G HA2 0.643 4.602 3.960 -0.000 0.000 0.229 618 G HA3 0.643 4.602 3.960 -0.000 0.000 0.229 618 G C -1.218 173.626 174.900 -0.094 0.000 1.280 618 G CA -0.465 44.546 45.100 -0.147 0.000 0.951 618 G HN 0.330 nan 8.290 nan 0.000 0.589 619 R N -0.471 119.983 120.500 -0.075 0.000 2.548 619 R HA 0.494 4.834 4.340 -0.000 0.000 0.280 619 R C -1.070 175.190 176.300 -0.068 0.000 1.061 619 R CA -0.611 55.451 56.100 -0.063 0.000 0.915 619 R CB 1.632 31.900 30.300 -0.052 0.000 1.210 619 R HN 0.688 nan 8.270 nan 0.000 0.442 620 I N 0.441 120.943 120.570 -0.114 0.000 2.797 620 I HA 0.959 5.129 4.170 -0.000 0.000 0.307 620 I C -0.138 175.964 176.117 -0.025 0.000 1.033 620 I CA -0.527 60.680 61.300 -0.155 0.000 1.071 620 I CB 2.420 40.084 38.000 -0.559 0.000 1.255 620 I HN 0.735 nan 8.210 nan 0.000 0.445 621 G N 3.911 112.756 108.800 0.074 0.000 2.474 621 G HA2 0.452 4.412 3.960 -0.000 0.000 0.234 621 G HA3 0.452 4.412 3.960 -0.000 0.000 0.234 621 G C -1.303 173.742 174.900 0.241 0.000 1.204 621 G CA -0.463 44.783 45.100 0.244 0.000 0.939 621 G HN 0.991 nan 8.290 nan 0.000 0.491 622 I N -0.786 119.877 120.570 0.155 0.000 2.846 622 I HA 0.792 4.961 4.170 -0.000 0.000 0.307 622 I C -0.930 175.190 176.117 0.005 0.000 1.053 622 I CA -1.136 60.225 61.300 0.102 0.000 1.050 622 I CB 2.400 40.485 38.000 0.141 0.000 1.239 622 I HN 0.594 nan 8.210 nan 0.000 0.439 623 D N 3.032 123.434 120.400 0.004 0.000 2.549 623 D HA 0.494 5.134 4.640 -0.000 0.000 0.270 623 D C 1.001 177.288 176.300 -0.023 0.000 1.181 623 D CA -0.441 53.548 54.000 -0.019 0.000 1.070 623 D CB 1.071 41.861 40.800 -0.016 0.000 1.154 623 D HN 0.666 nan 8.370 nan 0.000 0.602 624 A N -0.476 122.329 122.820 -0.026 0.000 2.019 624 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 624 A C 1.969 179.544 177.584 -0.015 0.000 1.164 624 A CA 1.859 53.882 52.037 -0.024 0.000 0.644 624 A CB -1.206 17.781 19.000 -0.022 0.000 0.805 624 A HN 0.672 nan 8.150 nan 0.000 0.449 625 A N -1.097 121.716 122.820 -0.012 0.000 2.259 625 A HA 0.475 4.795 4.320 -0.000 0.000 0.208 625 A C 1.015 178.598 177.584 -0.001 0.000 1.201 625 A CA 0.506 52.538 52.037 -0.008 0.000 0.824 625 A CB -0.717 18.276 19.000 -0.011 0.000 0.838 625 A HN 0.913 nan 8.150 nan 0.000 0.485 626 L N -1.970 119.256 121.223 0.005 0.000 4.291 626 L HA -0.232 4.107 4.340 -0.000 0.000 0.413 626 L C 0.236 177.123 176.870 0.029 0.000 1.162 626 L CA 0.251 55.105 54.840 0.024 0.000 0.961 626 L CB -1.841 40.231 42.059 0.023 0.000 2.095 626 L HN 0.514 nan 8.230 nan 0.000 0.838 627 R N 0.831 121.339 120.500 0.013 0.000 2.490 627 R HA 0.486 4.826 4.340 -0.000 0.000 0.278 627 R C 0.905 177.219 176.300 0.024 0.000 1.069 627 R CA 0.305 56.406 56.100 0.001 0.000 1.080 627 R CB 0.613 30.896 30.300 -0.028 0.000 1.030 627 R HN 0.145 nan 8.270 nan 0.000 0.491 628 G N 0.768 109.578 108.800 0.017 0.000 2.378 628 G HA2 0.268 4.227 3.960 -0.000 0.000 0.255 628 G HA3 0.268 4.227 3.960 -0.000 0.000 0.255 628 G C -0.408 174.474 174.900 -0.029 0.000 1.270 628 G CA 0.169 45.327 45.100 0.095 0.000 0.876 628 G HN 0.413 nan 8.290 nan 0.000 0.521 629 T N 0.252 114.877 114.554 0.117 0.000 2.792 629 T HA 0.397 4.747 4.350 -0.000 0.000 0.303 629 T C -0.802 173.988 174.700 0.150 0.000 1.310 629 T CA -0.422 61.694 62.100 0.026 0.000 1.007 629 T CB 1.639 70.503 68.868 -0.007 0.000 1.335 629 T HN 0.373 nan 8.240 nan 0.000 0.504 630 V N 4.804 124.768 119.914 0.083 0.000 2.368 630 V HA 0.317 4.437 4.120 -0.000 0.000 0.266 630 V C 1.219 177.343 176.094 0.050 0.000 1.045 630 V CA -0.060 62.291 62.300 0.086 0.000 0.899 630 V CB 0.704 32.627 31.823 0.166 0.000 1.006 630 V HN 0.777 nan 8.190 nan 0.000 0.470 631 L N 3.189 124.423 121.223 0.019 0.000 2.162 631 L HA 0.132 4.471 4.340 -0.000 0.000 0.205 631 L C 0.757 177.624 176.870 -0.005 0.000 1.086 631 L CA 1.003 55.844 54.840 0.001 0.000 0.778 631 L CB 0.064 42.112 42.059 -0.017 0.000 0.928 631 L HN 0.619 nan 8.230 nan 0.000 0.446 632 T N 0.657 115.199 114.554 -0.020 0.000 2.930 632 T HA 0.328 4.678 4.350 -0.000 0.000 0.313 632 T C -2.533 172.120 174.700 -0.079 0.000 1.019 632 T CA -1.189 60.889 62.100 -0.036 0.000 1.004 632 T CB 1.875 70.713 68.868 -0.050 0.000 0.987 632 T HN -0.242 nan 8.240 nan 0.000 0.456 633 P HA 0.084 nan 4.420 nan 0.000 0.262 633 P C -1.748 175.306 177.300 -0.409 0.000 1.182 633 P CA -0.962 62.011 63.100 -0.212 0.000 0.761 633 P CB 0.383 32.146 31.700 0.104 0.000 0.795 634 P HA 0.024 nan 4.420 nan 0.000 0.251 634 P C -0.448 176.503 177.300 -0.582 0.000 1.223 634 P CA 0.487 63.173 63.100 -0.690 0.000 0.796 634 P CB 0.435 31.672 31.700 -0.771 0.000 1.068 635 W N 1.821 123.092 121.300 -0.049 0.000 2.335 635 W HA 0.308 4.969 4.660 0.001 0.000 0.306 635 W C 1.034 177.519 176.519 -0.056 0.000 1.216 635 W CA -0.519 56.782 57.345 -0.074 0.000 1.237 635 W CB 0.286 29.700 29.460 -0.076 0.000 1.243 635 W HN -0.120 nan 8.180 nan 0.000 0.493 636 L N 2.068 123.351 121.223 0.101 0.000 3.865 636 L HA -0.337 4.003 4.340 -0.000 0.000 0.408 636 L C 1.080 177.965 176.870 0.024 0.000 1.209 636 L CA -0.282 54.589 54.840 0.052 0.000 0.940 636 L CB -1.854 40.238 42.059 0.055 0.000 1.971 636 L HN 0.314 nan 8.230 nan 0.000 0.899 637 V N -1.478 118.432 119.914 -0.007 0.000 2.358 637 V HA -0.110 4.010 4.120 -0.000 0.000 0.246 637 V C 1.589 177.674 176.094 -0.014 0.000 1.047 637 V CA 2.089 64.376 62.300 -0.020 0.000 1.035 637 V CB -0.245 31.544 31.823 -0.055 0.000 0.658 637 V HN 0.653 nan 8.190 nan 0.000 0.452 638 N N 1.250 119.939 118.700 -0.019 0.000 2.458 638 N HA 0.078 4.818 4.740 -0.000 0.000 0.270 638 N C -1.615 173.899 175.510 0.006 0.000 1.102 638 N CA -1.393 51.652 53.050 -0.008 0.000 0.967 638 N CB 2.164 40.639 38.487 -0.019 0.000 1.078 638 N HN 0.083 nan 8.380 nan 0.000 0.471 639 P HA -0.097 nan 4.420 nan 0.000 0.219 639 P C 1.438 178.752 177.300 0.022 0.000 1.150 639 P CA 0.778 63.888 63.100 0.017 0.000 0.814 639 P CB 0.396 32.107 31.700 0.019 0.000 0.787 640 V N 1.078 121.012 119.914 0.032 0.000 2.427 640 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 640 V C 2.202 178.316 176.094 0.032 0.000 1.051 640 V CA 2.160 64.486 62.300 0.043 0.000 1.048 640 V CB -1.450 30.416 31.823 0.072 0.000 0.666 640 V HN 0.037 nan 8.190 nan 0.000 0.456 641 D N 0.250 120.666 120.400 0.026 0.000 2.116 641 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 641 D C 2.153 178.454 176.300 0.001 0.000 0.998 641 D CA 1.694 55.704 54.000 0.017 0.000 0.836 641 D CB -0.240 40.566 40.800 0.011 0.000 0.951 641 D HN 0.419 nan 8.370 nan 0.000 0.449 642 K N -0.078 120.323 120.400 0.002 0.000 2.057 642 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 642 K C 1.973 178.565 176.600 -0.013 0.000 1.049 642 K CA 1.479 57.761 56.287 -0.008 0.000 0.931 642 K CB -0.085 32.414 32.500 -0.000 0.000 0.714 642 K HN 0.022 nan 8.250 nan 0.000 0.440 643 T N 0.696 115.249 114.554 -0.001 0.000 2.684 643 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 643 T C 1.820 176.503 174.700 -0.028 0.000 1.036 643 T CA 1.590 63.690 62.100 0.001 0.000 1.148 643 T CB -0.155 68.722 68.868 0.015 0.000 0.863 643 T HN 0.015 nan 8.240 nan 0.000 0.436 644 V N 1.260 121.145 119.914 -0.049 0.000 2.453 644 V HA -0.066 4.054 4.120 -0.000 0.000 0.247 644 V C 2.352 178.304 176.094 -0.237 0.000 1.048 644 V CA 1.070 63.284 62.300 -0.144 0.000 1.049 644 V CB -0.650 31.122 31.823 -0.085 0.000 0.672 644 V HN 0.314 nan 8.190 nan 0.000 0.457 645 L N -0.139 121.006 121.223 -0.130 0.000 2.012 645 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 645 L C 2.222 179.026 176.870 -0.111 0.000 1.073 645 L CA 1.960 56.726 54.840 -0.122 0.000 0.748 645 L CB -0.559 41.454 42.059 -0.076 0.000 0.891 645 L HN 0.195 nan 8.230 nan 0.000 0.431 646 L N -0.975 120.214 121.223 -0.056 0.000 2.042 646 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 646 L C 2.664 179.584 176.870 0.083 0.000 1.076 646 L CA 1.494 56.344 54.840 0.017 0.000 0.749 646 L CB -0.554 41.553 42.059 0.080 0.000 0.893 646 L HN 0.399 nan 8.230 nan 0.000 0.432 647 Q N 0.047 119.844 119.800 -0.004 0.000 2.084 647 Q HA -0.182 4.157 4.340 -0.000 0.000 0.202 647 Q C 2.182 178.153 176.000 -0.048 0.000 0.978 647 Q CA 2.087 57.892 55.803 0.003 0.000 0.844 647 Q CB -0.263 28.438 28.738 -0.062 0.000 0.898 647 Q HN 0.453 nan 8.270 nan 0.000 0.426 648 A N -0.034 122.603 122.820 -0.304 0.000 1.902 648 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 648 A C 2.116 179.716 177.584 0.027 0.000 1.181 648 A CA 1.358 53.279 52.037 -0.195 0.000 0.623 648 A CB -0.736 18.077 19.000 -0.312 0.000 0.818 648 A HN 0.446 nan 8.150 nan 0.000 0.443 649 L N -1.469 119.741 121.223 -0.021 0.000 2.017 649 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 649 L C 2.698 179.552 176.870 -0.027 0.000 1.073 649 L CA 1.402 56.226 54.840 -0.028 0.000 0.745 649 L CB -0.825 41.176 42.059 -0.097 0.000 0.894 649 L HN 0.461 nan 8.230 nan 0.000 0.432 650 H N 0.111 119.198 119.070 0.029 0.000 2.352 650 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 650 H C 1.917 177.282 175.328 0.061 0.000 1.097 650 H CA 1.812 57.883 56.048 0.040 0.000 1.311 650 H CB -0.107 29.674 29.762 0.033 0.000 1.377 650 H HN 0.372 nan 8.280 nan 0.000 0.504 651 D N 0.085 120.611 120.400 0.210 0.000 2.117 651 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 651 D C 2.451 178.820 176.300 0.114 0.000 0.987 651 D CA 0.528 54.639 54.000 0.185 0.000 0.829 651 D CB -0.323 40.639 40.800 0.271 0.000 0.961 651 D HN 0.121 nan 8.370 nan 0.000 0.460 652 V N 1.031 121.006 119.914 0.102 0.000 2.392 652 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 652 V C 2.373 178.462 176.094 -0.009 0.000 1.059 652 V CA 1.757 64.070 62.300 0.021 0.000 1.051 652 V CB -0.446 31.435 31.823 0.097 0.000 0.658 652 V HN 0.221 nan 8.190 nan 0.000 0.455 653 V N -1.696 118.248 119.914 0.050 0.000 3.621 653 V HA 0.118 4.238 4.120 -0.000 0.000 0.285 653 V C 2.177 178.303 176.094 0.053 0.000 1.346 653 V CA 0.773 63.111 62.300 0.062 0.000 1.104 653 V CB -0.183 31.694 31.823 0.089 0.000 0.913 653 V HN 0.551 nan 8.190 nan 0.000 0.432 654 S N 2.857 118.593 115.700 0.059 0.000 2.387 654 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 654 S C 1.484 176.105 174.600 0.035 0.000 1.035 654 S CA 1.939 60.178 58.200 0.065 0.000 1.014 654 S CB -0.885 62.360 63.200 0.074 0.000 0.836 654 S HN 0.866 nan 8.310 nan 0.000 0.466 655 N N 0.639 119.343 118.700 0.006 0.000 2.328 655 N HA 0.226 4.966 4.740 -0.000 0.000 0.247 655 N C 0.819 176.318 175.510 -0.019 0.000 1.165 655 N CA -0.266 52.779 53.050 -0.008 0.000 0.873 655 N CB -0.392 38.081 38.487 -0.023 0.000 1.125 655 N HN 0.517 nan 8.380 nan 0.000 0.513 656 I N 0.339 120.908 120.570 -0.002 0.000 2.335 656 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 656 I C 1.871 177.999 176.117 0.019 0.000 1.129 656 I CA 1.330 62.635 61.300 0.008 0.000 1.402 656 I CB -0.129 37.906 38.000 0.058 0.000 1.069 656 I HN 0.288 nan 8.210 nan 0.000 0.424 657 G N -0.330 108.482 108.800 0.020 0.000 2.509 657 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 657 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 657 G C 1.624 176.533 174.900 0.015 0.000 1.124 657 G CA 0.773 45.886 45.100 0.021 0.000 0.776 657 G HN 0.559 nan 8.290 nan 0.000 0.547 658 S N -0.246 115.456 115.700 0.004 0.000 2.561 658 S HA 0.220 4.690 4.470 -0.000 0.000 0.225 658 S C 0.749 175.347 174.600 -0.003 0.000 0.977 658 S CA -0.104 58.095 58.200 -0.003 0.000 0.926 658 S CB -0.025 63.166 63.200 -0.014 0.000 0.769 658 S HN 0.019 nan 8.310 nan 0.000 0.533 659 I N 3.125 123.699 120.570 0.006 0.000 2.359 659 I HA 0.460 4.630 4.170 -0.000 0.000 0.284 659 I C -2.785 173.380 176.117 0.080 0.000 1.018 659 I CA -2.864 58.450 61.300 0.023 0.000 1.173 659 I CB 0.675 38.667 38.000 -0.013 0.000 1.326 659 I HN -0.044 nan 8.210 nan 0.000 0.462 660 P HA 0.182 nan 4.420 nan 0.000 0.264 660 P C 0.982 178.339 177.300 0.096 0.000 1.193 660 P CA 0.667 63.811 63.100 0.074 0.000 0.763 660 P CB 0.674 32.408 31.700 0.056 0.000 0.810 661 G N 1.813 110.629 108.800 0.026 0.000 2.179 661 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 661 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 661 G C -0.140 174.790 174.900 0.050 0.000 0.977 661 G CA -0.213 44.842 45.100 -0.075 0.000 0.641 661 G HN 0.580 nan 8.290 nan 0.000 0.533 662 L N 2.592 123.944 121.223 0.216 0.000 2.313 662 L HA 0.716 5.056 4.340 -0.000 0.000 0.282 662 L C 0.082 177.057 176.870 0.174 0.000 1.092 662 L CA 0.290 55.289 54.840 0.265 0.000 0.831 662 L CB 1.117 43.306 42.059 0.216 0.000 1.159 662 L HN 0.124 nan 8.230 nan 0.000 0.442 663 T N 6.073 120.738 114.554 0.184 0.000 2.886 663 T HA 0.396 4.746 4.350 -0.000 0.000 0.292 663 T C -0.425 174.326 174.700 0.084 0.000 1.012 663 T CA -0.450 61.714 62.100 0.107 0.000 0.982 663 T CB 1.463 70.361 68.868 0.050 0.000 1.018 663 T HN 0.655 nan 8.240 nan 0.000 0.451 664 M N 4.698 124.283 119.600 -0.026 0.000 2.084 664 M HA 0.420 4.900 4.480 -0.000 0.000 0.351 664 M C 0.709 176.797 176.300 -0.353 0.000 1.240 664 M CA -0.421 54.654 55.300 -0.375 0.000 1.083 664 M CB 0.121 32.465 32.600 -0.426 0.000 1.593 664 M HN 0.799 nan 8.290 nan 0.000 0.463 665 I N 0.352 120.657 120.570 -0.442 0.000 3.941 665 I HA 0.333 4.503 4.170 -0.000 0.000 0.321 665 I C -0.443 175.435 176.117 -0.399 0.000 1.284 665 I CA 0.025 61.108 61.300 -0.362 0.000 1.226 665 I CB 0.669 38.440 38.000 -0.382 0.000 1.045 665 I HN 0.483 nan 8.210 nan 0.000 0.420 666 T N 4.394 118.646 114.554 -0.502 0.000 3.335 666 T HA 0.345 4.695 4.350 -0.000 0.000 0.321 666 T C -2.849 171.401 174.700 -0.750 0.000 0.960 666 T CA -0.749 61.051 62.100 -0.501 0.000 1.034 666 T CB 2.080 70.736 68.868 -0.354 0.000 1.040 666 T HN 0.008 nan 8.240 nan 0.000 0.454 667 P HA 0.197 nan 4.420 nan 0.000 0.271 667 P C -0.475 176.582 177.300 -0.405 0.000 1.216 667 P CA -0.226 62.470 63.100 -0.673 0.000 0.776 667 P CB 0.649 31.938 31.700 -0.686 0.000 0.881 668 D N 1.252 121.493 120.400 -0.264 0.000 2.414 668 D HA -0.027 4.613 4.640 -0.000 0.000 0.251 668 D C 1.406 177.624 176.300 -0.137 0.000 1.252 668 D CA -0.597 53.290 54.000 -0.189 0.000 0.999 668 D CB -0.389 40.333 40.800 -0.129 0.000 1.093 668 D HN 0.169 nan 8.370 nan 0.000 0.515 669 V N -2.595 117.262 119.914 -0.095 0.000 2.688 669 V HA -0.197 3.923 4.120 -0.000 0.000 0.256 669 V C 1.842 177.910 176.094 -0.044 0.000 1.084 669 V CA 2.180 64.443 62.300 -0.062 0.000 1.103 669 V CB -1.960 29.840 31.823 -0.039 0.000 0.688 669 V HN 0.810 nan 8.190 nan 0.000 0.480 670 T N -2.927 111.601 114.554 -0.043 0.000 3.100 670 T HA 0.079 4.428 4.350 -0.000 0.000 0.253 670 T C 0.771 175.458 174.700 -0.022 0.000 1.118 670 T CA 0.455 62.540 62.100 -0.025 0.000 1.058 670 T CB -0.097 68.760 68.868 -0.018 0.000 0.953 670 T HN 0.663 nan 8.240 nan 0.000 0.515 671 Q N 2.315 122.092 119.800 -0.040 0.000 2.331 671 Q HA 0.434 4.774 4.340 -0.000 0.000 0.267 671 Q C -0.410 175.573 176.000 -0.029 0.000 1.006 671 Q CA -0.717 55.072 55.803 -0.022 0.000 0.818 671 Q CB 1.800 30.527 28.738 -0.018 0.000 1.276 671 Q HN 0.481 nan 8.270 nan 0.000 0.450 672 T N 0.189 114.748 114.554 0.009 0.000 2.828 672 T HA 0.216 4.565 4.350 -0.000 0.000 0.290 672 T C 1.375 176.087 174.700 0.020 0.000 1.019 672 T CA -0.564 61.546 62.100 0.017 0.000 1.031 672 T CB 0.558 69.459 68.868 0.053 0.000 1.001 672 T HN 0.714 nan 8.240 nan 0.000 0.531 673 L N 0.371 121.577 121.223 -0.029 0.000 2.083 673 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 673 L C 2.871 179.775 176.870 0.057 0.000 1.083 673 L CA 1.439 56.256 54.840 -0.039 0.000 0.752 673 L CB -0.559 41.312 42.059 -0.313 0.000 0.899 673 L HN 0.718 nan 8.230 nan 0.000 0.433 674 E N 0.135 120.379 120.200 0.073 0.000 2.077 674 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 674 E C 2.082 178.725 176.600 0.071 0.000 0.989 674 E CA 1.102 57.549 56.400 0.078 0.000 0.800 674 E CB -0.065 29.689 29.700 0.091 0.000 0.746 674 E HN 0.440 nan 8.360 nan 0.000 0.452 675 E N -0.644 119.605 120.200 0.082 0.000 2.072 675 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 675 E C 1.762 178.434 176.600 0.119 0.000 0.985 675 E CA 0.856 57.304 56.400 0.080 0.000 0.801 675 E CB -0.211 29.531 29.700 0.070 0.000 0.750 675 E HN 0.259 nan 8.360 nan 0.000 0.452 676 Y N 1.356 121.657 120.300 0.003 0.000 2.097 676 Y HA -0.267 4.282 4.550 -0.002 0.000 0.282 676 Y C 2.164 178.115 175.900 0.084 0.000 1.152 676 Y CA 1.193 59.311 58.100 0.030 0.000 1.136 676 Y CB -0.521 37.937 38.460 -0.003 0.000 0.975 676 Y HN -0.179 nan 8.280 nan 0.000 0.498 677 V N 0.441 120.345 119.914 -0.017 0.000 2.407 677 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 677 V C 1.977 178.035 176.094 -0.059 0.000 1.055 677 V CA 2.197 64.414 62.300 -0.138 0.000 1.049 677 V CB -0.641 31.119 31.823 -0.105 0.000 0.662 677 V HN 0.364 nan 8.190 nan 0.000 0.455 678 D N 0.409 120.804 120.400 -0.008 0.000 2.219 678 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 678 D C 1.992 178.295 176.300 0.006 0.000 0.970 678 D CA 1.454 55.457 54.000 0.004 0.000 0.851 678 D CB -0.061 40.748 40.800 0.016 0.000 0.943 678 D HN 0.481 nan 8.370 nan 0.000 0.488 679 A N -0.562 122.259 122.820 0.002 0.000 2.238 679 A HA -0.010 4.310 4.320 -0.000 0.000 0.210 679 A C 0.547 178.104 177.584 -0.046 0.000 1.179 679 A CA -0.266 51.763 52.037 -0.013 0.000 0.827 679 A CB -0.332 18.666 19.000 -0.003 0.000 0.856 679 A HN 0.132 nan 8.150 nan 0.000 0.488 680 Y N 1.294 121.459 120.300 -0.225 0.000 2.425 680 Y HA 0.203 4.754 4.550 0.001 0.000 0.331 680 Y C 0.335 176.124 175.900 -0.186 0.000 1.157 680 Y CA -0.632 57.298 58.100 -0.283 0.000 1.372 680 Y CB 0.428 38.647 38.460 -0.402 0.000 1.253 680 Y HN 0.221 nan 8.280 nan 0.000 0.536 681 D N 7.427 127.720 120.400 -0.178 0.000 2.358 681 D HA 0.073 4.713 4.640 -0.000 0.000 0.258 681 D C -1.847 174.441 176.300 -0.020 0.000 1.223 681 D CA -1.807 52.134 54.000 -0.099 0.000 0.886 681 D CB 1.582 42.276 40.800 -0.176 0.000 1.120 681 D HN 0.360 nan 8.370 nan 0.000 0.482 682 P HA -0.156 nan 4.420 nan 0.000 0.216 682 P C 0.932 178.114 177.300 -0.196 0.000 1.153 682 P CA 1.633 64.746 63.100 0.022 0.000 0.858 682 P CB 0.146 31.942 31.700 0.159 0.000 0.789 683 A N -0.644 122.102 122.820 -0.123 0.000 2.070 683 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 683 A C 2.031 179.398 177.584 -0.363 0.000 1.159 683 A CA 2.137 54.051 52.037 -0.204 0.000 0.656 683 A CB -1.786 17.187 19.000 -0.046 0.000 0.800 683 A HN 0.367 nan 8.150 nan 0.000 0.453 684 T N -3.372 111.015 114.554 -0.278 0.000 3.129 684 T HA 0.163 4.513 4.350 -0.000 0.000 0.251 684 T C 1.488 176.053 174.700 -0.225 0.000 1.117 684 T CA 0.704 62.672 62.100 -0.220 0.000 1.034 684 T CB -0.336 68.412 68.868 -0.201 0.000 0.968 684 T HN 0.388 nan 8.240 nan 0.000 0.526 685 M N 1.242 120.556 119.600 -0.477 0.000 2.562 685 M HA 0.148 4.628 4.480 -0.000 0.000 0.257 685 M C 0.854 176.591 176.300 -0.939 0.000 1.099 685 M CA -0.039 54.862 55.300 -0.665 0.000 1.099 685 M CB -0.432 31.696 32.600 -0.787 0.000 1.427 685 M HN 0.157 nan 8.290 nan 0.000 0.489 686 N N 1.039 119.150 118.700 -0.983 0.000 2.411 686 N HA -0.031 4.709 4.740 -0.000 0.000 0.265 686 N C 0.105 175.465 175.510 -0.249 0.000 1.266 686 N CA 0.499 53.267 53.050 -0.469 0.000 0.889 686 N CB 0.778 39.189 38.487 -0.127 0.000 1.069 686 N HN -0.025 nan 8.380 nan 0.000 0.476 687 S N 2.660 118.198 115.700 -0.271 0.000 2.556 687 S HA 0.087 4.557 4.470 -0.000 0.000 0.216 687 S C -0.032 174.294 174.600 -0.457 0.000 0.970 687 S CA -0.419 57.528 58.200 -0.421 0.000 0.912 687 S CB -0.197 62.594 63.200 -0.682 0.000 0.790 687 S HN 0.760 nan 8.310 nan 0.000 0.504 688 N N 1.583 120.194 118.700 -0.147 0.000 2.725 688 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 688 N C -0.546 175.093 175.510 0.214 0.000 1.103 688 N CA 0.735 53.877 53.050 0.153 0.000 0.707 688 N CB -2.003 36.662 38.487 0.296 0.000 1.043 688 N HN 0.679 nan 8.380 nan 0.000 0.553 689 H N -1.944 117.032 119.070 -0.158 0.000 2.467 689 H HA 0.119 4.675 4.556 0.000 0.000 0.275 689 H C -0.182 175.076 175.328 -0.116 0.000 1.131 689 H CA -0.919 55.078 56.048 -0.085 0.000 0.989 689 H CB 0.002 29.670 29.762 -0.156 0.000 1.696 689 H HN 0.190 nan 8.280 nan 0.000 0.574 690 W N 2.945 124.364 121.300 0.199 0.000 2.435 690 W HA 0.116 4.775 4.660 -0.001 0.000 0.337 690 W C 0.514 177.033 176.519 0.001 0.000 1.300 690 W CA -0.049 57.340 57.345 0.073 0.000 1.298 690 W CB 0.045 29.546 29.460 0.068 0.000 1.217 690 W HN -0.016 nan 8.180 nan 0.000 0.565 691 V N -0.353 119.637 119.914 0.127 0.000 3.160 691 V HA 0.712 4.832 4.120 -0.000 0.000 0.310 691 V C 0.357 176.420 176.094 -0.052 0.000 1.181 691 V CA -0.817 61.489 62.300 0.009 0.000 1.047 691 V CB 1.736 33.524 31.823 -0.058 0.000 1.068 691 V HN 0.754 nan 8.190 nan 0.000 0.441 692 S N -0.409 115.225 115.700 -0.109 0.000 2.857 692 S HA -0.239 4.231 4.470 -0.000 0.000 0.268 692 S C 1.377 175.902 174.600 -0.125 0.000 1.297 692 S CA 1.617 59.727 58.200 -0.151 0.000 1.280 692 S CB -2.223 60.871 63.200 -0.176 0.000 1.562 692 S HN 2.124 nan 8.310 nan 0.000 0.661 693 S N 0.880 116.513 115.700 -0.112 0.000 2.474 693 S HA 0.043 4.513 4.470 -0.000 0.000 0.235 693 S C 1.054 175.581 174.600 -0.122 0.000 0.997 693 S CA 1.141 59.263 58.200 -0.131 0.000 0.949 693 S CB -0.501 62.578 63.200 -0.200 0.000 0.766 693 S HN 1.167 nan 8.310 nan 0.000 0.517 694 T N -0.993 113.491 114.554 -0.117 0.000 3.630 694 T HA 0.342 4.692 4.350 -0.000 0.000 0.238 694 T C -0.194 174.440 174.700 -0.111 0.000 1.195 694 T CA -0.490 61.550 62.100 -0.100 0.000 1.433 694 T CB 0.209 69.017 68.868 -0.099 0.000 0.940 694 T HN 0.108 nan 8.240 nan 0.000 0.641 695 T N 2.084 116.564 114.554 -0.123 0.000 2.940 695 T HA 0.348 4.697 4.350 -0.000 0.000 0.309 695 T C 0.501 175.099 174.700 -0.170 0.000 1.056 695 T CA -0.426 61.565 62.100 -0.181 0.000 1.137 695 T CB -0.036 68.718 68.868 -0.190 0.000 0.976 695 T HN 0.623 nan 8.240 nan 0.000 0.547 696 I N 3.190 123.590 120.570 -0.284 0.000 2.836 696 I HA 0.537 4.707 4.170 -0.000 0.000 0.285 696 I C 0.813 176.821 176.117 -0.181 0.000 1.174 696 I CA 0.879 62.019 61.300 -0.266 0.000 1.405 696 I CB 0.204 37.924 38.000 -0.466 0.000 1.385 696 I HN 0.879 nan 8.210 nan 0.000 0.594 697 G N 2.845 111.617 108.800 -0.045 0.000 2.341 697 G HA2 0.193 4.152 3.960 -0.000 0.000 0.299 697 G HA3 0.193 4.152 3.960 -0.000 0.000 0.299 697 G C -0.441 174.566 174.900 0.178 0.000 1.274 697 G CA 0.187 45.311 45.100 0.039 0.000 0.853 697 G HN 0.611 nan 8.290 nan 0.000 0.493 698 S N -1.786 114.008 115.700 0.157 0.000 2.540 698 S HA 0.548 5.018 4.470 -0.000 0.000 0.222 698 S C 0.689 175.343 174.600 0.090 0.000 1.008 698 S CA 0.900 59.209 58.200 0.181 0.000 0.939 698 S CB 0.594 63.858 63.200 0.107 0.000 0.865 698 S HN 1.435 nan 8.310 nan 0.000 0.499 699 S N 2.072 117.740 115.700 -0.053 0.000 2.538 699 S HA 0.547 5.017 4.470 -0.000 0.000 0.288 699 S C -2.473 171.782 174.600 -0.576 0.000 1.108 699 S CA -1.596 56.413 58.200 -0.319 0.000 0.971 699 S CB 1.912 65.014 63.200 -0.164 0.000 1.041 699 S HN -0.016 nan 8.310 nan 0.000 0.483 700 P HA -0.063 nan 4.420 nan 0.000 0.230 700 P C 0.729 177.880 177.300 -0.247 0.000 1.158 700 P CA 0.737 63.443 63.100 -0.656 0.000 0.769 700 P CB 0.193 31.537 31.700 -0.593 0.000 0.807 701 Q N 0.185 119.863 119.800 -0.202 0.000 2.230 701 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 701 Q C 1.747 177.702 176.000 -0.075 0.000 0.963 701 Q CA 1.607 57.344 55.803 -0.108 0.000 0.866 701 Q CB -0.365 28.319 28.738 -0.090 0.000 0.931 701 Q HN 0.440 nan 8.270 nan 0.000 0.452 702 S N -2.392 113.261 115.700 -0.078 0.000 2.787 702 S HA 0.624 5.094 4.470 -0.000 0.000 0.255 702 S C 0.336 174.921 174.600 -0.025 0.000 1.051 702 S CA -0.023 58.149 58.200 -0.047 0.000 1.124 702 S CB 0.874 64.049 63.200 -0.043 0.000 1.104 702 S HN 0.211 nan 8.310 nan 0.000 0.623 703 A N 0.250 123.076 122.820 0.009 0.000 2.566 703 A HA 0.814 5.134 4.320 -0.000 0.000 0.292 703 A C 0.258 177.980 177.584 0.230 0.000 1.112 703 A CA -0.486 51.611 52.037 0.101 0.000 0.707 703 A CB 1.061 20.159 19.000 0.164 0.000 1.302 703 A HN 0.264 nan 8.150 nan 0.000 0.409 704 V N -0.016 120.001 119.914 0.171 0.000 3.085 704 V HA 0.156 4.276 4.120 -0.000 0.000 0.245 704 V C 0.622 176.726 176.094 0.017 0.000 1.114 704 V CA 1.313 63.709 62.300 0.160 0.000 1.108 704 V CB 0.575 32.409 31.823 0.019 0.000 0.798 704 V HN 1.116 nan 8.190 nan 0.000 0.471 705 V N -0.852 118.971 119.914 -0.152 0.000 2.914 705 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 705 V C -0.699 175.080 176.094 -0.525 0.000 1.084 705 V CA -0.945 61.098 62.300 -0.428 0.000 0.963 705 V CB 1.953 33.651 31.823 -0.209 0.000 1.025 705 V HN 0.380 nan 8.190 nan 0.000 0.432 706 D N 2.102 122.098 120.400 -0.674 0.000 2.478 706 D HA 0.249 4.889 4.640 -0.000 0.000 0.274 706 D C 1.431 177.721 176.300 -0.017 0.000 1.234 706 D CA 0.200 54.013 54.000 -0.312 0.000 1.069 706 D CB 0.632 41.264 40.800 -0.279 0.000 1.113 706 D HN 0.830 nan 8.370 nan 0.000 0.571 707 S N -1.277 114.502 115.700 0.131 0.000 2.500 707 S HA -0.135 4.335 4.470 -0.000 0.000 0.239 707 S C 0.627 175.526 174.600 0.498 0.000 0.989 707 S CA 0.374 58.780 58.200 0.344 0.000 0.951 707 S CB -0.592 62.818 63.200 0.350 0.000 0.759 707 S HN 0.474 nan 8.310 nan 0.000 0.523 708 N N 1.595 120.481 118.700 0.311 0.000 2.275 708 N HA 0.166 4.906 4.740 -0.000 0.000 0.236 708 N C 0.720 176.466 175.510 0.394 0.000 1.154 708 N CA 0.687 53.942 53.050 0.342 0.000 0.866 708 N CB 0.965 39.622 38.487 0.283 0.000 1.093 708 N HN 0.614 nan 8.380 nan 0.000 0.515 709 V N -1.876 118.215 119.914 0.295 0.000 3.669 709 V HA -0.321 3.799 4.120 -0.000 0.000 0.202 709 V C 0.243 176.413 176.094 0.128 0.000 0.483 709 V CA 1.279 63.703 62.300 0.206 0.000 1.003 709 V CB -2.443 29.552 31.823 0.287 0.000 1.111 709 V HN 0.354 nan 8.190 nan 0.000 1.168 710 K N 0.305 120.632 120.400 -0.122 0.000 2.172 710 K HA 0.655 4.975 4.320 -0.000 0.000 0.276 710 K C 0.050 176.356 176.600 -0.489 0.000 1.013 710 K CA -0.476 55.463 56.287 -0.580 0.000 0.913 710 K CB 1.774 33.919 32.500 -0.593 0.000 1.055 710 K HN 0.391 nan 8.250 nan 0.000 0.461 711 V N 5.634 125.298 119.914 -0.417 0.000 2.585 711 V HA 0.026 4.146 4.120 -0.000 0.000 0.296 711 V C 0.126 176.079 176.094 -0.235 0.000 1.035 711 V CA -0.091 62.041 62.300 -0.281 0.000 1.084 711 V CB -0.246 31.484 31.823 -0.155 0.000 0.953 711 V HN 0.571 nan 8.190 nan 0.000 0.483 712 F N 3.200 123.111 119.950 -0.065 0.000 2.602 712 F HA 0.416 4.943 4.527 -0.000 0.000 0.367 712 F C 1.570 177.350 175.800 -0.034 0.000 1.126 712 F CA 1.307 59.282 58.000 -0.042 0.000 1.321 712 F CB 0.035 39.020 39.000 -0.025 0.000 1.094 712 F HN 0.778 nan 8.300 nan 0.000 0.594 713 G N 1.028 109.932 108.800 0.174 0.000 2.176 713 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 713 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 713 G C 0.139 175.065 174.900 0.044 0.000 0.979 713 G CA 0.213 45.370 45.100 0.095 0.000 0.641 713 G HN 1.074 nan 8.290 nan 0.000 0.530 714 T N -2.973 111.580 114.554 -0.001 0.000 2.916 714 T HA 0.672 5.022 4.350 -0.000 0.000 0.292 714 T C 0.840 175.500 174.700 -0.066 0.000 1.055 714 T CA -0.077 62.002 62.100 -0.037 0.000 1.009 714 T CB 1.777 70.599 68.868 -0.078 0.000 1.118 714 T HN -0.098 nan 8.240 nan 0.000 0.497 715 N N 1.395 120.070 118.700 -0.041 0.000 2.395 715 N HA 0.020 4.760 4.740 -0.000 0.000 0.175 715 N C 0.712 176.195 175.510 -0.045 0.000 1.029 715 N CA 0.693 53.728 53.050 -0.026 0.000 0.897 715 N CB -0.074 38.423 38.487 0.017 0.000 0.991 715 N HN 0.855 nan 8.380 nan 0.000 0.441 716 N N -0.353 118.307 118.700 -0.067 0.000 2.286 716 N HA 0.053 4.793 4.740 -0.000 0.000 0.245 716 N C -0.925 174.607 175.510 0.038 0.000 1.363 716 N CA -0.254 52.825 53.050 0.049 0.000 0.822 716 N CB -0.290 38.269 38.487 0.120 0.000 1.345 716 N HN -0.026 nan 8.380 nan 0.000 0.494 717 L N 0.802 121.888 121.223 -0.229 0.000 2.322 717 L HA 0.742 5.082 4.340 -0.000 0.000 0.281 717 L C -1.566 175.067 176.870 -0.395 0.000 1.014 717 L CA -0.462 54.307 54.840 -0.118 0.000 0.815 717 L CB 0.821 42.837 42.059 -0.071 0.000 1.247 717 L HN -0.012 nan 8.230 nan 0.000 0.421 718 F N 4.556 124.529 119.950 0.038 0.000 2.620 718 F HA 0.653 5.180 4.527 -0.000 0.000 0.320 718 F C -0.359 175.457 175.800 0.027 0.000 1.069 718 F CA -0.656 57.365 58.000 0.036 0.000 0.953 718 F CB 1.797 40.845 39.000 0.080 0.000 1.322 718 F HN 0.169 nan 8.300 nan 0.000 0.479 719 I N 2.075 122.766 120.570 0.202 0.000 2.466 719 I HA 0.510 4.680 4.170 -0.000 0.000 0.289 719 I C -1.330 174.866 176.117 0.131 0.000 1.026 719 I CA -0.871 60.496 61.300 0.113 0.000 1.078 719 I CB 2.074 40.093 38.000 0.030 0.000 1.249 719 I HN 0.174 nan 8.210 nan 0.000 0.429 720 V N 5.099 125.078 119.914 0.109 0.000 2.380 720 V HA 0.442 4.562 4.120 -0.000 0.000 0.272 720 V C -1.036 175.106 176.094 0.079 0.000 1.011 720 V CA -0.337 62.026 62.300 0.105 0.000 0.826 720 V CB 0.819 32.695 31.823 0.088 0.000 1.040 720 V HN 0.946 nan 8.190 nan 0.000 0.441 721 D N 3.395 123.841 120.400 0.077 0.000 2.792 721 D HA 0.432 5.072 4.640 -0.000 0.000 0.335 721 D C 0.809 177.151 176.300 0.069 0.000 1.353 721 D CA 0.041 54.084 54.000 0.072 0.000 0.839 721 D CB 1.311 42.148 40.800 0.061 0.000 1.396 721 D HN 0.253 nan 8.370 nan 0.000 0.479 722 A N -0.285 122.582 122.820 0.078 0.000 2.070 722 A HA 0.195 4.515 4.320 -0.000 0.000 0.220 722 A C 2.005 179.601 177.584 0.020 0.000 1.159 722 A CA 2.063 54.145 52.037 0.075 0.000 0.656 722 A CB -1.469 17.600 19.000 0.114 0.000 0.800 722 A HN 0.728 nan 8.150 nan 0.000 0.453 723 G N 0.918 109.715 108.800 -0.004 0.000 2.479 723 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 723 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 723 G C 1.433 176.272 174.900 -0.101 0.000 1.115 723 G CA 1.148 46.212 45.100 -0.059 0.000 0.757 723 G HN 0.882 nan 8.290 nan 0.000 0.560 724 I N -1.544 118.972 120.570 -0.090 0.000 2.761 724 I HA 0.252 4.422 4.170 -0.000 0.000 0.261 724 I C 0.887 176.802 176.117 -0.337 0.000 1.198 724 I CA -0.064 61.132 61.300 -0.174 0.000 1.482 724 I CB -0.106 37.829 38.000 -0.109 0.000 1.100 724 I HN -0.115 nan 8.210 nan 0.000 0.445 725 I N 4.382 124.800 120.570 -0.254 0.000 2.662 725 I HA 0.031 4.200 4.170 -0.000 0.000 0.285 725 I C -1.078 174.752 176.117 -0.479 0.000 1.161 725 I CA -0.914 60.154 61.300 -0.387 0.000 1.415 725 I CB 0.469 38.413 38.000 -0.094 0.000 1.385 725 I HN 0.077 nan 8.210 nan 0.000 0.552 726 P HA -0.090 nan 4.420 nan 0.000 0.236 726 P C 0.106 177.243 177.300 -0.272 0.000 1.177 726 P CA 1.257 64.046 63.100 -0.518 0.000 0.773 726 P CB 0.460 31.741 31.700 -0.698 0.000 0.878 727 H N -0.829 118.058 119.070 -0.304 0.000 3.079 727 H HA 0.272 4.828 4.556 -0.000 0.000 0.356 727 H C -0.679 174.572 175.328 -0.129 0.000 1.221 727 H CA -0.780 55.157 56.048 -0.185 0.000 1.185 727 H CB 1.145 30.817 29.762 -0.149 0.000 1.882 727 H HN -0.214 nan 8.280 nan 0.000 0.543 728 L N 5.613 126.718 121.223 -0.197 0.000 2.540 728 L HA 0.061 4.401 4.340 -0.000 0.000 0.276 728 L C -1.713 175.262 176.870 0.176 0.000 1.212 728 L CA -1.021 53.810 54.840 -0.015 0.000 0.893 728 L CB 0.205 42.212 42.059 -0.087 0.000 1.138 728 L HN 0.427 nan 8.230 nan 0.000 0.491 729 P HA 0.130 nan 4.420 nan 0.000 0.279 729 P C 0.377 177.711 177.300 0.057 0.000 1.282 729 P CA -0.470 62.652 63.100 0.037 0.000 0.788 729 P CB 0.586 32.282 31.700 -0.008 0.000 1.139 730 T N -1.196 113.330 114.554 -0.047 0.000 2.708 730 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 730 T C 1.222 176.024 174.700 0.170 0.000 1.037 730 T CA 1.778 63.834 62.100 -0.074 0.000 1.146 730 T CB -0.783 67.808 68.868 -0.461 0.000 0.865 730 T HN 0.653 nan 8.240 nan 0.000 0.435 731 G N 0.648 109.508 108.800 0.101 0.000 2.601 731 G HA2 0.502 4.462 3.960 -0.000 0.000 0.317 731 G HA3 0.502 4.462 3.960 -0.000 0.000 0.317 731 G C -0.706 174.445 174.900 0.419 0.000 1.246 731 G CA -1.016 44.284 45.100 0.333 0.000 1.012 731 G HN 0.253 nan 8.290 nan 0.000 0.494 732 N N 1.054 120.123 118.700 0.616 0.000 2.294 732 N HA 0.093 4.833 4.740 -0.000 0.000 0.248 732 N C -1.543 174.015 175.510 0.079 0.000 1.242 732 N CA -0.423 52.748 53.050 0.202 0.000 0.848 732 N CB 1.039 39.732 38.487 0.344 0.000 1.084 732 N HN 0.233 nan 8.380 nan 0.000 0.457 733 P HA -0.099 nan 4.420 nan 0.000 0.251 733 P C 0.680 178.020 177.300 0.065 0.000 1.223 733 P CA 0.623 63.706 63.100 -0.029 0.000 0.796 733 P CB 0.252 31.903 31.700 -0.082 0.000 1.068 734 Q N 0.268 120.114 119.800 0.077 0.000 2.135 734 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 734 Q C 2.193 178.315 176.000 0.202 0.000 0.981 734 Q CA 2.149 58.032 55.803 0.134 0.000 0.856 734 Q CB -1.681 27.133 28.738 0.127 0.000 0.902 734 Q HN 0.108 nan 8.270 nan 0.000 0.425 735 G N 0.504 109.439 108.800 0.224 0.000 2.418 735 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.217 735 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.217 735 G C 1.372 176.415 174.900 0.239 0.000 1.158 735 G CA 1.237 46.487 45.100 0.250 0.000 0.771 735 G HN 0.421 nan 8.290 nan 0.000 0.545 736 T N 1.084 115.759 114.554 0.201 0.000 2.737 736 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 736 T C 2.227 177.097 174.700 0.283 0.000 1.038 736 T CA 1.163 63.398 62.100 0.226 0.000 1.144 736 T CB -0.244 68.675 68.868 0.086 0.000 0.866 736 T HN 0.132 nan 8.240 nan 0.000 0.434 737 L N 0.977 122.328 121.223 0.214 0.000 2.046 737 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 737 L C 2.242 179.234 176.870 0.204 0.000 1.077 737 L CA 1.745 56.712 54.840 0.212 0.000 0.747 737 L CB -0.721 41.431 42.059 0.154 0.000 0.896 737 L HN 0.269 nan 8.230 nan 0.000 0.432 738 M N -1.635 118.077 119.600 0.188 0.000 2.132 738 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 738 M C 2.486 178.878 176.300 0.152 0.000 1.065 738 M CA 1.817 57.197 55.300 0.134 0.000 1.122 738 M CB -0.526 32.173 32.600 0.166 0.000 1.365 738 M HN 0.444 nan 8.290 nan 0.000 0.411 739 S N 0.518 116.353 115.700 0.224 0.000 2.368 739 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 739 S C 1.992 176.693 174.600 0.169 0.000 1.030 739 S CA 1.453 59.768 58.200 0.192 0.000 0.999 739 S CB -0.157 63.162 63.200 0.199 0.000 0.844 739 S HN 0.492 nan 8.310 nan 0.000 0.459 740 A N 1.050 124.077 122.820 0.345 0.000 1.972 740 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 740 A C 2.401 180.164 177.584 0.299 0.000 1.169 740 A CA 1.732 54.034 52.037 0.441 0.000 0.635 740 A CB -1.172 18.191 19.000 0.605 0.000 0.810 740 A HN 0.757 nan 8.150 nan 0.000 0.446 741 A N -0.480 122.444 122.820 0.173 0.000 1.930 741 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 741 A C 1.971 179.545 177.584 -0.017 0.000 1.175 741 A CA 1.455 53.534 52.037 0.071 0.000 0.627 741 A CB -0.355 18.644 19.000 -0.002 0.000 0.815 741 A HN 0.469 nan 8.150 nan 0.000 0.443 742 E N -0.403 119.788 120.200 -0.016 0.000 2.031 742 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 742 E C 2.186 178.667 176.600 -0.200 0.000 0.994 742 E CA 1.633 58.027 56.400 -0.009 0.000 0.800 742 E CB -0.359 29.417 29.700 0.128 0.000 0.752 742 E HN 0.831 nan 8.360 nan 0.000 0.447 743 Q N 0.296 119.814 119.800 -0.471 0.000 2.084 743 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 743 Q C 2.055 177.605 176.000 -0.750 0.000 0.978 743 Q CA 1.677 56.747 55.803 -1.222 0.000 0.844 743 Q CB -0.103 27.821 28.738 -1.357 0.000 0.898 743 Q HN 0.229 nan 8.270 nan 0.000 0.426 744 A N 0.566 123.251 122.820 -0.225 0.000 1.902 744 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 744 A C 2.276 179.801 177.584 -0.099 0.000 1.181 744 A CA 1.654 53.703 52.037 0.020 0.000 0.623 744 A CB -1.040 18.119 19.000 0.265 0.000 0.818 744 A HN 0.557 nan 8.150 nan 0.000 0.443 745 A N -0.118 122.624 122.820 -0.131 0.000 1.902 745 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 745 A C 2.507 179.993 177.584 -0.162 0.000 1.181 745 A CA 2.156 54.100 52.037 -0.155 0.000 0.623 745 A CB -1.014 17.907 19.000 -0.132 0.000 0.818 745 A HN 1.054 nan 8.150 nan 0.000 0.443 746 A N -0.191 122.520 122.820 -0.182 0.000 1.877 746 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 746 A C 2.130 179.621 177.584 -0.154 0.000 1.186 746 A CA 1.736 53.690 52.037 -0.137 0.000 0.620 746 A CB -0.396 18.542 19.000 -0.104 0.000 0.822 746 A HN 0.420 nan 8.150 nan 0.000 0.443 747 K N -0.339 119.923 120.400 -0.230 0.000 2.063 747 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 747 K C 1.903 178.469 176.600 -0.057 0.000 1.048 747 K CA 1.493 57.695 56.287 -0.141 0.000 0.928 747 K CB -0.527 31.890 32.500 -0.140 0.000 0.713 747 K HN 0.595 nan 8.250 nan 0.000 0.442 748 I N 1.186 121.700 120.570 -0.094 0.000 2.226 748 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 748 I C 2.372 178.437 176.117 -0.088 0.000 1.100 748 I CA 1.004 62.212 61.300 -0.153 0.000 1.374 748 I CB -0.256 37.553 38.000 -0.319 0.000 1.057 748 I HN 0.062 nan 8.210 nan 0.000 0.413 749 L N 0.413 121.582 121.223 -0.090 0.000 2.083 749 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 749 L C 2.585 179.451 176.870 -0.006 0.000 1.083 749 L CA 1.282 56.098 54.840 -0.041 0.000 0.752 749 L CB -0.527 41.496 42.059 -0.060 0.000 0.899 749 L HN 0.251 nan 8.230 nan 0.000 0.433 750 A N -0.748 122.062 122.820 -0.016 0.000 2.169 750 A HA 0.039 4.359 4.320 -0.000 0.000 0.212 750 A C 0.923 178.523 177.584 0.027 0.000 1.153 750 A CA -0.040 51.998 52.037 0.002 0.000 0.756 750 A CB -0.198 18.795 19.000 -0.013 0.000 0.813 750 A HN 0.204 nan 8.150 nan 0.000 0.471 751 L N 1.345 122.593 121.223 0.043 0.000 2.385 751 L HA 0.542 4.882 4.340 -0.000 0.000 0.281 751 L C 0.587 177.507 176.870 0.083 0.000 1.106 751 L CA -0.451 54.438 54.840 0.082 0.000 0.856 751 L CB -0.041 42.100 42.059 0.137 0.000 1.186 751 L HN 0.273 nan 8.230 nan 0.000 0.453 752 A N 3.906 126.770 122.820 0.073 0.000 2.466 752 A HA 0.497 4.816 4.320 -0.000 0.000 0.238 752 A C 1.316 178.944 177.584 0.074 0.000 1.074 752 A CA 0.381 52.456 52.037 0.064 0.000 0.774 752 A CB -0.231 18.800 19.000 0.053 0.000 1.015 752 A HN 1.834 nan 8.150 nan 0.000 0.498 753 G N 0.244 109.080 108.800 0.061 0.000 2.176 753 G HA2 0.069 4.029 3.960 -0.000 0.000 0.232 753 G HA3 0.069 4.029 3.960 -0.000 0.000 0.232 753 G C 0.809 175.743 174.900 0.056 0.000 0.986 753 G CA 0.402 45.537 45.100 0.058 0.000 0.643 753 G HN 1.861 nan 8.290 nan 0.000 0.522 754 G N 0.300 109.134 108.800 0.058 0.000 2.580 754 G HA2 0.710 4.670 3.960 -0.000 0.000 0.278 754 G HA3 0.710 4.670 3.960 -0.000 0.000 0.278 754 G C -1.165 173.742 174.900 0.012 0.000 1.212 754 G CA -0.259 44.862 45.100 0.036 0.000 0.939 754 G HN 0.327 nan 8.290 nan 0.000 0.513 755 P HA 0.000 nan 4.420 nan 0.000 0.216 755 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 755 P CB 0.000 31.633 31.700 -0.112 0.000 0.726