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 1n7q_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NAADYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPFKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK L 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 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.127 176.094 0.056 0.000 1.182 170 V CA 0.000 62.323 62.300 0.038 0.000 1.235 170 V CB 0.000 31.842 31.823 0.032 0.000 1.184 171 K N 4.450 124.881 120.400 0.052 0.000 2.293 171 K HA 0.833 5.025 4.320 -0.213 0.000 0.267 171 K C -1.000 175.636 176.600 0.060 0.000 1.010 171 K CA -0.219 56.102 56.287 0.057 0.000 0.875 171 K CB 2.275 34.798 32.500 0.039 0.000 1.106 171 K HN 1.051 nan 8.250 nan 0.000 0.450 172 D N -0.711 119.735 120.400 0.076 0.000 3.309 172 D HA 0.033 4.545 4.640 -0.213 0.000 0.335 172 D C 0.890 177.202 176.300 0.020 0.000 1.393 172 D CA -0.442 53.595 54.000 0.062 0.000 0.963 172 D CB -0.187 40.686 40.800 0.123 0.000 1.431 172 D HN 0.251 nan 8.370 nan 0.000 0.583 173 T N -3.004 111.504 114.554 -0.077 0.000 2.951 173 T HA -0.088 4.134 4.350 -0.213 0.000 0.268 173 T C 1.529 176.114 174.700 -0.192 0.000 1.073 173 T CA 0.995 62.995 62.100 -0.167 0.000 1.134 173 T CB -0.804 67.910 68.868 -0.257 0.000 0.884 173 T HN 0.369 nan 8.240 nan 0.000 0.479 174 Y N 2.919 123.226 120.300 0.011 0.000 2.097 174 Y HA -0.106 4.314 4.550 -0.216 0.000 0.282 174 Y C 3.312 179.226 175.900 0.023 0.000 1.152 174 Y CA 1.661 59.766 58.100 0.008 0.000 1.136 174 Y CB -1.327 37.134 38.460 0.001 0.000 0.975 174 Y HN 0.455 nan 8.280 nan 0.000 0.498 175 T N -2.794 111.873 114.554 0.188 0.000 2.951 175 T HA -0.132 4.090 4.350 -0.213 0.000 0.268 175 T C 1.383 176.141 174.700 0.097 0.000 1.073 175 T CA 1.358 63.537 62.100 0.132 0.000 1.134 175 T CB -0.391 68.546 68.868 0.114 0.000 0.884 175 T HN 0.169 nan 8.240 nan 0.000 0.479 176 D N 1.322 121.761 120.400 0.064 0.000 2.123 176 D HA -0.049 4.463 4.640 -0.213 0.000 0.196 176 D C 2.365 178.706 176.300 0.068 0.000 0.992 176 D CA 1.018 55.048 54.000 0.050 0.000 0.833 176 D CB -0.307 40.504 40.800 0.018 0.000 0.954 176 D HN 0.265 nan 8.370 nan 0.000 0.455 177 R N 0.178 120.715 120.500 0.062 0.000 2.081 177 R HA 0.024 4.236 4.340 -0.213 0.000 0.235 177 R C 2.410 178.798 176.300 0.146 0.000 1.131 177 R CA 0.580 56.728 56.100 0.081 0.000 0.960 177 R CB -0.590 29.735 30.300 0.042 0.000 0.856 177 R HN 0.211 nan 8.270 nan 0.000 0.436 178 L N 0.150 121.463 121.223 0.150 0.000 2.093 178 L HA -0.188 4.024 4.340 -0.213 0.000 0.208 178 L C 1.628 178.632 176.870 0.223 0.000 1.085 178 L CA 1.157 56.122 54.840 0.209 0.000 0.755 178 L CB -0.462 41.699 42.059 0.169 0.000 0.904 178 L HN 0.198 nan 8.230 nan 0.000 0.435 179 D N 0.180 120.674 120.400 0.156 0.000 2.123 179 D HA -0.196 4.316 4.640 -0.213 0.000 0.196 179 D C 1.756 178.137 176.300 0.136 0.000 0.992 179 D CA 1.340 55.414 54.000 0.125 0.000 0.833 179 D CB -0.165 40.686 40.800 0.086 0.000 0.954 179 D HN 0.297 nan 8.370 nan 0.000 0.455 180 D N -0.270 120.225 120.400 0.158 0.000 2.117 180 D HA -0.141 4.372 4.640 -0.213 0.000 0.197 180 D C 1.870 178.314 176.300 0.240 0.000 0.987 180 D CA 0.425 54.530 54.000 0.175 0.000 0.829 180 D CB -0.512 40.386 40.800 0.163 0.000 0.961 180 D HN 0.405 nan 8.370 nan 0.000 0.460 181 W N 1.757 123.096 121.300 0.065 0.000 2.338 181 W HA -0.224 4.304 4.660 -0.219 0.000 0.304 181 W C 1.498 178.057 176.519 0.066 0.000 1.212 181 W CA 0.946 58.329 57.345 0.062 0.000 1.264 181 W CB -0.085 29.408 29.460 0.054 0.000 1.142 181 W HN -0.047 nan 8.180 nan 0.000 0.512 182 N N 0.424 119.175 118.700 0.086 0.000 2.104 182 N HA -0.147 4.465 4.740 -0.213 0.000 0.190 182 N C 1.915 177.403 175.510 -0.036 0.000 1.024 182 N CA 2.060 55.099 53.050 -0.017 0.000 0.853 182 N CB -1.382 37.151 38.487 0.077 0.000 1.008 182 N HN 0.282 nan 8.380 nan 0.000 0.424 183 G N 0.619 109.439 108.800 0.032 0.000 2.432 183 G HA2 -0.150 3.682 3.960 -0.213 0.000 0.219 183 G HA3 -0.150 3.682 3.960 -0.213 0.000 0.219 183 G C 1.631 176.613 174.900 0.137 0.000 1.135 183 G CA 0.389 45.548 45.100 0.098 0.000 0.767 183 G HN 0.290 nan 8.290 nan 0.000 0.550 184 I N 0.735 121.293 120.570 -0.020 0.000 2.400 184 I HA 0.037 4.079 4.170 -0.213 0.000 0.248 184 I C 2.505 178.452 176.117 -0.284 0.000 1.109 184 I CA 0.762 61.985 61.300 -0.128 0.000 1.425 184 I CB -0.016 37.896 38.000 -0.146 0.000 1.094 184 I HN 0.299 nan 8.210 nan 0.000 0.425 185 I N -2.367 117.920 120.570 -0.471 0.000 3.427 185 I HA 0.269 4.311 4.170 -0.213 0.000 0.288 185 I C 1.937 177.884 176.117 -0.284 0.000 1.249 185 I CA 0.839 61.851 61.300 -0.480 0.000 1.421 185 I CB -0.043 37.538 38.000 -0.698 0.000 1.086 185 I HN 0.010 nan 8.210 nan 0.000 0.448 186 A N 1.104 123.806 122.820 -0.197 0.000 1.935 186 A HA 0.583 4.775 4.320 -0.213 0.000 0.202 186 A C 1.832 179.381 177.584 -0.058 0.000 1.772 186 A CA 0.632 52.581 52.037 -0.147 0.000 1.013 186 A CB -0.392 18.568 19.000 -0.066 0.000 1.077 186 A HN 0.729 nan 8.150 nan 0.000 0.565 187 G N 0.783 109.643 108.800 0.100 0.000 2.182 187 G HA2 -0.270 3.562 3.960 -0.213 0.000 0.248 187 G HA3 -0.270 3.562 3.960 -0.213 0.000 0.248 187 G C 0.425 175.581 174.900 0.428 0.000 1.042 187 G CA 0.651 45.941 45.100 0.317 0.000 0.775 187 G HN 0.348 nan 8.290 nan 0.000 0.501 188 N N 0.594 119.468 118.700 0.290 0.000 2.133 188 N HA -0.182 4.430 4.740 -0.213 0.000 0.193 188 N C 2.487 178.045 175.510 0.079 0.000 1.012 188 N CA 1.895 55.081 53.050 0.227 0.000 0.871 188 N CB -0.165 38.403 38.487 0.135 0.000 1.011 188 N HN 0.807 nan 8.380 nan 0.000 0.435 189 Q N -0.294 119.452 119.800 -0.091 0.000 2.226 189 Q HA -0.143 4.069 4.340 -0.213 0.000 0.204 189 Q C 1.048 176.878 176.000 -0.283 0.000 0.975 189 Q CA 1.344 56.987 55.803 -0.266 0.000 0.866 189 Q CB -0.780 27.683 28.738 -0.458 0.000 0.915 189 Q HN 0.574 nan 8.270 nan 0.000 0.440 190 Y N -0.777 119.577 120.300 0.090 0.000 2.482 190 Y HA 0.141 4.565 4.550 -0.209 0.000 0.270 190 Y C 0.617 176.499 175.900 -0.030 0.000 1.152 190 Y CA -1.217 56.911 58.100 0.047 0.000 1.292 190 Y CB -0.400 38.113 38.460 0.087 0.000 1.070 190 Y HN 0.055 nan 8.280 nan 0.000 0.528 191 Y N 2.511 122.751 120.300 -0.099 0.000 2.610 191 Y HA 0.199 4.622 4.550 -0.211 0.000 0.332 191 Y C -0.216 175.550 175.900 -0.224 0.000 1.201 191 Y CA -0.276 57.600 58.100 -0.372 0.000 1.465 191 Y CB 0.413 38.532 38.460 -0.569 0.000 1.283 191 Y HN 0.056 nan 8.280 nan 0.000 0.563 192 D N 3.509 123.290 120.400 -1.032 0.000 2.479 192 D HA 0.104 4.616 4.640 -0.213 0.000 0.246 192 D C 0.403 176.159 176.300 -0.907 0.000 1.336 192 D CA 0.009 53.614 54.000 -0.658 0.000 0.967 192 D CB 1.049 41.645 40.800 -0.339 0.000 1.275 192 D HN 0.555 nan 8.370 nan 0.000 0.577 193 S N 3.341 118.643 115.700 -0.664 0.000 2.465 193 S HA -0.152 4.191 4.470 -0.213 0.000 0.241 193 S C 1.288 175.753 174.600 -0.226 0.000 1.000 193 S CA 0.669 58.669 58.200 -0.333 0.000 0.964 193 S CB -0.127 63.057 63.200 -0.026 0.000 0.763 193 S HN 0.459 nan 8.310 nan 0.000 0.512 194 K N 1.350 121.615 120.400 -0.225 0.000 2.487 194 K HA 0.151 4.343 4.320 -0.213 0.000 0.192 194 K C 0.248 176.742 176.600 -0.176 0.000 1.027 194 K CA -0.055 56.136 56.287 -0.160 0.000 1.054 194 K CB -0.169 32.257 32.500 -0.123 0.000 0.824 194 K HN 0.359 nan 8.250 nan 0.000 0.510 195 N N 1.758 120.311 118.700 -0.244 0.000 2.457 195 N HA -0.004 4.608 4.740 -0.213 0.000 0.250 195 N C -0.097 175.298 175.510 -0.192 0.000 0.982 195 N CA 0.136 53.054 53.050 -0.220 0.000 0.941 195 N CB 1.442 39.774 38.487 -0.258 0.000 1.120 195 N HN -0.090 nan 8.380 nan 0.000 0.505 196 D N 1.628 121.932 120.400 -0.160 0.000 2.126 196 D HA -0.195 4.317 4.640 -0.213 0.000 0.190 196 D C 1.322 177.536 176.300 -0.145 0.000 1.001 196 D CA 1.738 55.654 54.000 -0.139 0.000 0.841 196 D CB 0.454 41.165 40.800 -0.150 0.000 0.949 196 D HN 0.562 nan 8.370 nan 0.000 0.446 197 Q N -0.846 118.827 119.800 -0.211 0.000 2.187 197 Q HA 0.039 4.251 4.340 -0.213 0.000 0.199 197 Q C 2.254 178.228 176.000 -0.044 0.000 0.957 197 Q CA 0.624 56.291 55.803 -0.226 0.000 0.857 197 Q CB -0.167 28.255 28.738 -0.527 0.000 0.929 197 Q HN 0.470 nan 8.270 nan 0.000 0.453 198 M N -0.249 119.332 119.600 -0.032 0.000 2.156 198 M HA -0.067 4.285 4.480 -0.213 0.000 0.264 198 M C 2.166 178.606 176.300 0.234 0.000 1.067 198 M CA 1.417 56.785 55.300 0.115 0.000 1.131 198 M CB -0.320 32.171 32.600 -0.181 0.000 1.368 198 M HN 0.126 nan 8.290 nan 0.000 0.416 199 A N 0.181 123.047 122.820 0.076 0.000 1.972 199 A HA -0.180 4.012 4.320 -0.213 0.000 0.219 199 A C 2.130 179.791 177.584 0.128 0.000 1.169 199 A CA 1.693 53.818 52.037 0.147 0.000 0.635 199 A CB -0.547 18.468 19.000 0.025 0.000 0.810 199 A HN 0.426 nan 8.150 nan 0.000 0.446 200 K N -0.801 119.646 120.400 0.078 0.000 2.062 200 K HA -0.072 4.120 4.320 -0.213 0.000 0.205 200 K C 1.887 178.542 176.600 0.090 0.000 1.051 200 K CA 1.307 57.627 56.287 0.055 0.000 0.941 200 K CB -0.220 32.283 32.500 0.005 0.000 0.719 200 K HN 0.378 nan 8.250 nan 0.000 0.440 201 L N 1.806 123.117 121.223 0.147 0.000 2.093 201 L HA -0.128 4.084 4.340 -0.213 0.000 0.208 201 L C 1.841 178.809 176.870 0.165 0.000 1.085 201 L CA 1.740 56.668 54.840 0.146 0.000 0.755 201 L CB -0.825 41.345 42.059 0.185 0.000 0.904 201 L HN 0.273 nan 8.230 nan 0.000 0.435 202 N N -1.083 117.773 118.700 0.260 0.000 2.166 202 N HA -0.253 4.359 4.740 -0.213 0.000 0.186 202 N C 1.835 177.398 175.510 0.089 0.000 1.019 202 N CA 1.095 54.250 53.050 0.175 0.000 0.856 202 N CB 0.060 38.590 38.487 0.072 0.000 0.993 202 N HN 0.404 nan 8.380 nan 0.000 0.426 203 Q N 1.440 121.293 119.800 0.088 0.000 2.084 203 Q HA -0.129 4.083 4.340 -0.213 0.000 0.202 203 Q C 1.757 177.789 176.000 0.053 0.000 0.978 203 Q CA 1.388 57.226 55.803 0.058 0.000 0.844 203 Q CB -0.375 28.391 28.738 0.046 0.000 0.898 203 Q HN 0.523 nan 8.270 nan 0.000 0.426 204 E N -0.593 119.638 120.200 0.051 0.000 2.110 204 E HA -0.172 4.050 4.350 -0.213 0.000 0.193 204 E C 1.832 178.449 176.600 0.029 0.000 0.988 204 E CA 0.869 57.289 56.400 0.033 0.000 0.804 204 E CB -0.107 29.607 29.700 0.024 0.000 0.745 204 E HN 0.362 nan 8.360 nan 0.000 0.458 205 L N 1.016 122.261 121.223 0.037 0.000 2.027 205 L HA -0.174 4.038 4.340 -0.213 0.000 0.206 205 L C 2.663 179.581 176.870 0.081 0.000 1.074 205 L CA 1.141 56.002 54.840 0.034 0.000 0.745 205 L CB -0.512 41.566 42.059 0.031 0.000 0.898 205 L HN 0.107 nan 8.230 nan 0.000 0.433 206 E N 0.413 120.685 120.200 0.121 0.000 2.108 206 E HA -0.251 3.971 4.350 -0.213 0.000 0.203 206 E C 2.147 178.862 176.600 0.192 0.000 1.022 206 E CA 1.786 58.314 56.400 0.213 0.000 0.823 206 E CB -0.652 29.116 29.700 0.114 0.000 0.744 206 E HN 0.583 nan 8.360 nan 0.000 0.456 207 G N 0.899 109.758 108.800 0.099 0.000 2.430 207 G HA2 -0.208 3.624 3.960 -0.213 0.000 0.216 207 G HA3 -0.208 3.624 3.960 -0.213 0.000 0.216 207 G C 1.623 176.549 174.900 0.044 0.000 1.146 207 G CA 0.503 45.647 45.100 0.072 0.000 0.793 207 G HN 0.196 nan 8.290 nan 0.000 0.537 208 K N -0.031 120.381 120.400 0.019 0.000 2.057 208 K HA 0.016 4.208 4.320 -0.213 0.000 0.206 208 K C 2.560 179.127 176.600 -0.056 0.000 1.050 208 K CA 0.897 57.168 56.287 -0.027 0.000 0.935 208 K CB -0.158 32.314 32.500 -0.047 0.000 0.715 208 K HN 0.191 nan 8.250 nan 0.000 0.439 209 V N 1.286 121.166 119.914 -0.055 0.000 2.270 209 V HA -0.243 3.749 4.120 -0.213 0.000 0.245 209 V C 2.311 178.304 176.094 -0.169 0.000 1.043 209 V CA 1.932 64.126 62.300 -0.175 0.000 1.014 209 V CB -0.760 30.851 31.823 -0.353 0.000 0.645 209 V HN 0.357 nan 8.190 nan 0.000 0.447 210 A N 0.363 123.177 122.820 -0.011 0.000 1.929 210 A HA -0.372 3.821 4.320 -0.213 0.000 0.221 210 A C 1.953 179.570 177.584 0.055 0.000 1.211 210 A CA 2.618 54.712 52.037 0.095 0.000 0.657 210 A CB -0.844 18.256 19.000 0.166 0.000 0.827 210 A HN 0.590 nan 8.150 nan 0.000 0.462 211 D N -0.522 119.898 120.400 0.034 0.000 2.117 211 D HA -0.050 4.463 4.640 -0.213 0.000 0.198 211 D C 2.324 178.671 176.300 0.078 0.000 0.982 211 D CA 1.479 55.502 54.000 0.037 0.000 0.828 211 D CB -0.495 40.307 40.800 0.003 0.000 0.967 211 D HN 0.418 nan 8.370 nan 0.000 0.464 212 S N 0.427 116.156 115.700 0.048 0.000 2.382 212 S HA -0.063 4.280 4.470 -0.213 0.000 0.228 212 S C 2.137 176.988 174.600 0.418 0.000 1.027 212 S CA 0.544 58.878 58.200 0.224 0.000 0.991 212 S CB -0.131 63.091 63.200 0.037 0.000 0.823 212 S HN 0.254 nan 8.310 nan 0.000 0.469 213 L N 1.421 122.742 121.223 0.163 0.000 2.179 213 L HA -0.016 4.196 4.340 -0.213 0.000 0.208 213 L C 2.442 179.358 176.870 0.077 0.000 1.096 213 L CA 1.170 56.063 54.840 0.088 0.000 0.779 213 L CB -0.449 41.600 42.059 -0.017 0.000 0.922 213 L HN 0.407 nan 8.230 nan 0.000 0.443 214 S N -3.034 112.722 115.700 0.094 0.000 2.528 214 S HA 0.005 4.347 4.470 -0.213 0.000 0.219 214 S C 1.877 176.524 174.600 0.078 0.000 0.985 214 S CA 0.511 58.753 58.200 0.070 0.000 0.914 214 S CB 0.496 63.735 63.200 0.065 0.000 0.776 214 S HN 0.170 nan 8.310 nan 0.000 0.526 215 S N 0.496 116.286 115.700 0.150 0.000 2.502 215 S HA 0.402 4.744 4.470 -0.213 0.000 0.228 215 S C 0.637 175.278 174.600 0.068 0.000 1.061 215 S CA -0.541 57.770 58.200 0.186 0.000 0.935 215 S CB -0.284 63.147 63.200 0.385 0.000 0.809 215 S HN 0.614 nan 8.310 nan 0.000 0.510 216 I N 2.482 123.007 120.570 -0.074 0.000 2.880 216 I HA -0.031 4.011 4.170 -0.213 0.000 0.296 216 I C -0.242 175.644 176.117 -0.385 0.000 1.220 216 I CA 0.163 61.089 61.300 -0.624 0.000 1.435 216 I CB 0.664 38.274 38.000 -0.650 0.000 1.339 216 I HN 0.069 nan 8.210 nan 0.000 0.583 217 S N 5.325 120.764 115.700 -0.436 0.000 2.481 217 S HA 0.124 4.467 4.470 -0.213 0.000 0.282 217 S C -0.022 174.384 174.600 -0.324 0.000 1.243 217 S CA -0.437 57.580 58.200 -0.305 0.000 1.078 217 S CB 0.365 63.370 63.200 -0.324 0.000 0.916 217 S HN 0.657 nan 8.310 nan 0.000 0.495 218 S N 3.020 118.590 115.700 -0.217 0.000 2.748 218 S HA 0.484 4.826 4.470 -0.213 0.000 0.299 218 S C 0.107 174.621 174.600 -0.143 0.000 1.119 218 S CA -0.952 57.142 58.200 -0.176 0.000 0.997 218 S CB 0.537 63.662 63.200 -0.124 0.000 1.223 218 S HN 0.799 nan 8.310 nan 0.000 0.541 219 Q N -0.535 119.202 119.800 -0.105 0.000 1.160 219 Q HA -0.265 3.947 4.340 -0.213 0.000 0.426 219 Q C 0.123 176.077 176.000 -0.077 0.000 1.014 219 Q CA 1.197 56.955 55.803 -0.076 0.000 0.499 219 Q CB -1.224 27.481 28.738 -0.056 0.000 5.099 219 Q HN 0.951 nan 8.270 nan 0.000 0.531 220 A N 1.211 124.001 122.820 -0.050 0.000 2.440 220 A HA 0.206 4.398 4.320 -0.213 0.000 0.251 220 A C -0.137 177.440 177.584 -0.012 0.000 1.089 220 A CA -0.079 51.945 52.037 -0.022 0.000 0.779 220 A CB 0.140 19.132 19.000 -0.013 0.000 1.022 220 A HN 0.418 nan 8.150 nan 0.000 0.492 221 D N 1.004 121.425 120.400 0.036 0.000 2.515 221 D HA 0.123 4.636 4.640 -0.213 0.000 0.232 221 D C 0.900 177.254 176.300 0.091 0.000 1.157 221 D CA 1.006 55.067 54.000 0.102 0.000 0.871 221 D CB 0.455 41.389 40.800 0.222 0.000 1.200 221 D HN 0.613 nan 8.370 nan 0.000 0.466 222 R N 2.144 122.726 120.500 0.137 0.000 2.923 222 R HA 0.560 4.772 4.340 -0.213 0.000 0.252 222 R C 0.921 177.328 176.300 0.178 0.000 1.130 222 R CA -0.793 55.286 56.100 -0.036 0.000 1.043 222 R CB 0.673 30.783 30.300 -0.317 0.000 1.205 222 R HN 0.506 nan 8.270 nan 0.000 0.495 223 I N -2.860 117.672 120.570 -0.064 0.000 4.070 223 I HA 0.301 4.343 4.170 -0.213 0.000 0.328 223 I C -0.710 175.596 176.117 0.314 0.000 1.298 223 I CA -0.272 61.113 61.300 0.141 0.000 1.173 223 I CB 0.261 38.274 38.000 0.022 0.000 1.051 223 I HN 0.601 nan 8.210 nan 0.000 0.409 224 Y N -1.688 118.681 120.300 0.115 0.000 2.656 224 Y HA 0.568 4.990 4.550 -0.214 0.000 0.334 224 Y C -0.172 175.400 175.900 -0.548 0.000 1.179 224 Y CA -1.472 56.608 58.100 -0.034 0.000 1.050 224 Y CB 0.524 39.041 38.460 0.094 0.000 1.308 224 Y HN -0.235 nan 8.280 nan 0.000 0.456 225 L N -0.356 120.716 121.223 -0.252 0.000 2.130 225 L HA 0.160 4.372 4.340 -0.213 0.000 0.200 225 L C 0.061 176.706 176.870 -0.375 0.000 1.075 225 L CA 0.768 55.286 54.840 -0.538 0.000 0.768 225 L CB 0.221 41.940 42.059 -0.566 0.000 0.933 225 L HN 0.486 nan 8.230 nan 0.000 0.451 226 W N 0.200 121.552 121.300 0.087 0.000 2.702 226 W HA 0.215 4.745 4.660 -0.217 0.000 0.331 226 W C 0.985 177.301 176.519 -0.337 0.000 1.049 226 W CA -0.588 56.752 57.345 -0.008 0.000 1.230 226 W CB 1.541 31.043 29.460 0.069 0.000 1.408 226 W HN 0.053 nan 8.180 nan 0.000 0.492 227 E N 2.427 122.400 120.200 -0.379 0.000 2.077 227 E HA -0.200 4.022 4.350 -0.213 0.000 0.193 227 E C 1.929 178.274 176.600 -0.425 0.000 0.989 227 E CA 1.481 57.428 56.400 -0.756 0.000 0.800 227 E CB 0.242 29.673 29.700 -0.448 0.000 0.746 227 E HN 0.454 nan 8.360 nan 0.000 0.452 228 K N -0.428 119.753 120.400 -0.365 0.000 2.280 228 K HA -0.128 4.064 4.320 -0.213 0.000 0.202 228 K C 0.412 176.608 176.600 -0.672 0.000 1.047 228 K CA 0.897 56.830 56.287 -0.590 0.000 0.942 228 K CB -0.243 31.761 32.500 -0.825 0.000 0.739 228 K HN 0.055 nan 8.250 nan 0.000 0.457 229 F N 1.750 121.668 119.950 -0.053 0.000 2.597 229 F HA 0.239 4.638 4.527 -0.213 0.000 0.336 229 F C 0.949 176.764 175.800 0.025 0.000 1.432 229 F CA -0.821 57.175 58.000 -0.008 0.000 1.120 229 F CB 1.006 40.011 39.000 0.009 0.000 1.253 229 F HN 0.002 nan 8.300 nan 0.000 0.546 230 S N -1.631 114.111 115.700 0.070 0.000 2.499 230 S HA 0.052 4.394 4.470 -0.213 0.000 0.225 230 S C 0.724 175.451 174.600 0.212 0.000 1.050 230 S CA -0.121 58.125 58.200 0.075 0.000 0.928 230 S CB -0.148 62.873 63.200 -0.299 0.000 0.803 230 S HN 0.301 nan 8.310 nan 0.000 0.506 231 N N 2.040 120.826 118.700 0.143 0.000 2.421 231 N HA 0.056 4.668 4.740 -0.213 0.000 0.260 231 N C 0.231 175.838 175.510 0.162 0.000 1.173 231 N CA -0.655 52.469 53.050 0.123 0.000 0.960 231 N CB 0.047 38.569 38.487 0.058 0.000 1.273 231 N HN 0.555 nan 8.380 nan 0.000 0.497 232 Y N 3.025 123.424 120.300 0.165 0.000 2.632 232 Y HA 0.189 4.612 4.550 -0.211 0.000 0.301 232 Y C 1.050 177.046 175.900 0.160 0.000 1.172 232 Y CA 0.591 58.791 58.100 0.167 0.000 1.328 232 Y CB -0.020 38.556 38.460 0.193 0.000 1.016 232 Y HN 0.351 nan 8.280 nan 0.000 0.529 233 K N 0.257 120.583 120.400 -0.123 0.000 2.098 233 K HA 0.035 4.227 4.320 -0.213 0.000 0.203 233 K C 0.469 177.104 176.600 0.060 0.000 1.051 233 K CA 0.998 57.243 56.287 -0.070 0.000 0.957 233 K CB -0.202 32.214 32.500 -0.140 0.000 0.738 233 K HN 0.162 nan 8.250 nan 0.000 0.447 234 T N 2.251 116.844 114.554 0.065 0.000 2.736 234 T HA -0.044 4.178 4.350 -0.213 0.000 0.275 234 T C 1.166 175.938 174.700 0.120 0.000 0.962 234 T CA 0.129 62.281 62.100 0.087 0.000 1.214 234 T CB 0.633 69.549 68.868 0.081 0.000 0.904 234 T HN 0.258 nan 8.240 nan 0.000 0.529 235 S N 2.621 118.403 115.700 0.137 0.000 2.507 235 S HA -0.033 4.310 4.470 -0.213 0.000 0.235 235 S C 2.257 176.871 174.600 0.023 0.000 0.988 235 S CA 0.289 58.568 58.200 0.131 0.000 0.944 235 S CB -0.242 63.101 63.200 0.239 0.000 0.762 235 S HN 0.755 nan 8.310 nan 0.000 0.526 236 A N 2.532 125.368 122.820 0.028 0.000 2.067 236 A HA -0.032 4.160 4.320 -0.213 0.000 0.219 236 A C 2.036 179.590 177.584 -0.050 0.000 1.158 236 A CA 1.250 53.276 52.037 -0.019 0.000 0.661 236 A CB -0.643 18.361 19.000 0.007 0.000 0.801 236 A HN 0.568 nan 8.150 nan 0.000 0.452 237 N N -0.214 118.505 118.700 0.031 0.000 2.381 237 N HA -0.065 4.547 4.740 -0.213 0.000 0.182 237 N C 1.335 176.836 175.510 -0.015 0.000 1.025 237 N CA 0.866 53.950 53.050 0.056 0.000 0.888 237 N CB -0.330 38.276 38.487 0.198 0.000 0.965 237 N HN 0.362 nan 8.380 nan 0.000 0.438 238 L N 0.650 121.853 121.223 -0.035 0.000 1.988 238 L HA -0.110 4.102 4.340 -0.213 0.000 0.207 238 L C 2.687 179.525 176.870 -0.053 0.000 1.071 238 L CA 1.657 56.454 54.840 -0.072 0.000 0.744 238 L CB -1.420 40.506 42.059 -0.223 0.000 0.893 238 L HN 0.274 nan 8.230 nan 0.000 0.433 239 T N -2.560 111.916 114.554 -0.130 0.000 2.788 239 T HA -0.167 4.055 4.350 -0.213 0.000 0.268 239 T C 1.910 176.497 174.700 -0.189 0.000 1.044 239 T CA 1.141 63.164 62.100 -0.127 0.000 1.139 239 T CB -0.486 68.285 68.868 -0.161 0.000 0.867 239 T HN 0.239 nan 8.240 nan 0.000 0.454 240 A N 1.005 123.618 122.820 -0.345 0.000 2.019 240 A HA 0.009 4.201 4.320 -0.213 0.000 0.219 240 A C 2.585 179.788 177.584 -0.635 0.000 1.164 240 A CA 2.059 53.699 52.037 -0.662 0.000 0.644 240 A CB -1.301 16.902 19.000 -1.328 0.000 0.805 240 A HN 0.589 nan 8.150 nan 0.000 0.449 241 T N -1.585 112.741 114.554 -0.381 0.000 2.809 241 T HA -0.057 4.165 4.350 -0.213 0.000 0.260 241 T C 1.681 176.300 174.700 -0.134 0.000 1.039 241 T CA 1.500 63.485 62.100 -0.193 0.000 1.141 241 T CB -0.384 68.452 68.868 -0.053 0.000 0.869 241 T HN 0.541 nan 8.240 nan 0.000 0.437 242 Y N 1.448 121.684 120.300 -0.108 0.000 2.293 242 Y HA 0.049 4.469 4.550 -0.216 0.000 0.291 242 Y C 2.592 178.417 175.900 -0.125 0.000 1.137 242 Y CA 0.648 58.696 58.100 -0.087 0.000 1.202 242 Y CB -0.233 38.157 38.460 -0.118 0.000 0.990 242 Y HN 0.043 nan 8.280 nan 0.000 0.537 243 R N 0.195 120.670 120.500 -0.042 0.000 2.115 243 R HA -0.145 4.067 4.340 -0.213 0.000 0.230 243 R C 2.019 178.222 176.300 -0.161 0.000 1.111 243 R CA 1.345 57.376 56.100 -0.115 0.000 0.976 243 R CB -0.142 30.054 30.300 -0.173 0.000 0.870 243 R HN 0.311 nan 8.270 nan 0.000 0.445 244 K N 0.467 120.711 120.400 -0.260 0.000 2.097 244 K HA -0.116 4.076 4.320 -0.213 0.000 0.206 244 K C 1.984 178.496 176.600 -0.148 0.000 1.049 244 K CA 1.185 57.275 56.287 -0.329 0.000 0.933 244 K CB -0.098 31.932 32.500 -0.784 0.000 0.717 244 K HN 0.154 nan 8.250 nan 0.000 0.442 245 L N 0.635 121.842 121.223 -0.026 0.000 2.093 245 L HA -0.135 4.077 4.340 -0.213 0.000 0.208 245 L C 2.553 179.439 176.870 0.027 0.000 1.085 245 L CA 1.121 55.993 54.840 0.054 0.000 0.755 245 L CB -0.470 41.661 42.059 0.121 0.000 0.904 245 L HN 0.256 nan 8.230 nan 0.000 0.435 246 E N 0.897 121.105 120.200 0.012 0.000 2.070 246 E HA -0.273 3.949 4.350 -0.213 0.000 0.197 246 E C 2.001 178.586 176.600 -0.024 0.000 1.004 246 E CA 1.688 58.087 56.400 -0.002 0.000 0.805 246 E CB 0.066 29.756 29.700 -0.018 0.000 0.744 246 E HN 0.517 nan 8.360 nan 0.000 0.451 247 E N -0.047 120.120 120.200 -0.055 0.000 2.085 247 E HA -0.219 4.003 4.350 -0.213 0.000 0.194 247 E C 2.164 178.733 176.600 -0.050 0.000 0.994 247 E CA 1.483 57.846 56.400 -0.063 0.000 0.801 247 E CB -0.131 29.512 29.700 -0.095 0.000 0.743 247 E HN 0.374 nan 8.360 nan 0.000 0.453 248 M N 0.255 119.821 119.600 -0.056 0.000 2.213 248 M HA -0.144 4.209 4.480 -0.213 0.000 0.263 248 M C 2.388 178.674 176.300 -0.023 0.000 1.062 248 M CA 1.356 56.617 55.300 -0.064 0.000 1.105 248 M CB -0.119 32.446 32.600 -0.058 0.000 1.385 248 M HN 0.141 nan 8.290 nan 0.000 0.417 249 A N 0.214 123.037 122.820 0.005 0.000 2.014 249 A HA -0.110 4.082 4.320 -0.213 0.000 0.218 249 A C 2.058 179.674 177.584 0.053 0.000 1.163 249 A CA 1.291 53.349 52.037 0.035 0.000 0.652 249 A CB -0.333 18.705 19.000 0.064 0.000 0.808 249 A HN 0.407 nan 8.150 nan 0.000 0.449 250 K N -0.699 119.721 120.400 0.032 0.000 2.057 250 K HA -0.098 4.094 4.320 -0.213 0.000 0.206 250 K C 2.154 178.799 176.600 0.075 0.000 1.050 250 K CA 1.269 57.579 56.287 0.038 0.000 0.935 250 K CB -0.086 32.409 32.500 -0.009 0.000 0.715 250 K HN 0.304 nan 8.250 nan 0.000 0.439 251 Q N 0.383 120.231 119.800 0.080 0.000 2.187 251 Q HA -0.042 4.170 4.340 -0.213 0.000 0.199 251 Q C 2.181 178.295 176.000 0.190 0.000 0.957 251 Q CA 0.769 56.659 55.803 0.144 0.000 0.857 251 Q CB -0.304 28.555 28.738 0.201 0.000 0.929 251 Q HN 0.097 nan 8.270 nan 0.000 0.453 252 V N 1.441 121.434 119.914 0.132 0.000 2.667 252 V HA -0.139 3.854 4.120 -0.213 0.000 0.252 252 V C 1.718 177.922 176.094 0.182 0.000 1.065 252 V CA 2.111 64.472 62.300 0.102 0.000 1.083 252 V CB -0.299 31.494 31.823 -0.051 0.000 0.692 252 V HN 0.526 nan 8.190 nan 0.000 0.468 253 T N -3.054 111.629 114.554 0.216 0.000 3.163 253 T HA 0.122 4.344 4.350 -0.213 0.000 0.252 253 T C 0.532 175.410 174.700 0.297 0.000 1.056 253 T CA -0.107 62.173 62.100 0.300 0.000 0.947 253 T CB -0.782 68.220 68.868 0.224 0.000 1.016 253 T HN 0.478 nan 8.240 nan 0.000 0.554 254 N N 1.956 120.805 118.700 0.249 0.000 2.462 254 N HA 0.263 4.875 4.740 -0.213 0.000 0.242 254 N C -1.985 173.411 175.510 -0.191 0.000 1.010 254 N CA -2.324 50.749 53.050 0.040 0.000 0.939 254 N CB 1.409 39.878 38.487 -0.030 0.000 1.127 254 N HN -0.130 nan 8.380 nan 0.000 0.509 255 P HA -0.193 nan 4.420 nan 0.000 0.219 255 P C 0.441 177.420 177.300 -0.535 0.000 1.153 255 P CA 1.422 63.824 63.100 -1.163 0.000 0.865 255 P CB 0.285 31.590 31.700 -0.658 0.000 0.788 256 S N -2.068 113.451 115.700 -0.301 0.000 2.528 256 S HA 0.043 4.385 4.470 -0.213 0.000 0.219 256 S C 1.021 175.525 174.600 -0.160 0.000 0.985 256 S CA -0.062 58.030 58.200 -0.180 0.000 0.914 256 S CB -0.409 62.735 63.200 -0.092 0.000 0.776 256 S HN 0.123 nan 8.310 nan 0.000 0.526 257 S N 1.856 117.468 115.700 -0.147 0.000 2.562 257 S HA 0.065 4.407 4.470 -0.213 0.000 0.281 257 S C 1.450 175.994 174.600 -0.093 0.000 1.333 257 S CA -0.643 57.509 58.200 -0.081 0.000 1.052 257 S CB 0.498 63.728 63.200 0.050 0.000 0.884 257 S HN 0.559 nan 8.310 nan 0.000 0.506 258 R N 2.688 123.039 120.500 -0.248 0.000 2.293 258 R HA -0.086 4.126 4.340 -0.213 0.000 0.219 258 R C 0.252 176.321 176.300 -0.385 0.000 1.091 258 R CA 1.664 57.553 56.100 -0.351 0.000 1.004 258 R CB -0.448 29.565 30.300 -0.477 0.000 0.865 258 R HN 0.697 nan 8.270 nan 0.000 0.469 259 Y N -0.898 119.439 120.300 0.060 0.000 2.485 259 Y HA 0.152 4.571 4.550 -0.217 0.000 0.260 259 Y C -0.042 175.899 175.900 0.068 0.000 1.173 259 Y CA -1.627 56.500 58.100 0.046 0.000 1.252 259 Y CB -0.331 38.143 38.460 0.024 0.000 1.123 259 Y HN -0.002 nan 8.280 nan 0.000 0.524 260 Y N 3.101 123.442 120.300 0.068 0.000 2.815 260 Y HA -0.062 4.371 4.550 -0.195 0.000 0.346 260 Y C 0.965 176.904 175.900 0.065 0.000 1.267 260 Y CA 0.006 58.139 58.100 0.056 0.000 1.604 260 Y CB -0.342 38.130 38.460 0.021 0.000 1.218 260 Y HN 0.417 nan 8.280 nan 0.000 0.527 261 Q N 1.994 121.561 119.800 -0.388 0.000 2.450 261 Q HA -0.366 3.846 4.340 -0.213 0.000 0.255 261 Q C -0.274 175.652 176.000 -0.124 0.000 1.003 261 Q CA 1.251 56.866 55.803 -0.313 0.000 1.097 261 Q CB -1.048 27.377 28.738 -0.522 0.000 1.544 261 Q HN 0.821 nan 8.270 nan 0.000 0.531 262 D N 0.696 121.069 120.400 -0.044 0.000 2.458 262 D HA -0.029 4.483 4.640 -0.213 0.000 0.243 262 D C 1.145 177.426 176.300 -0.032 0.000 1.146 262 D CA 0.746 54.752 54.000 0.009 0.000 0.877 262 D CB 0.843 41.715 40.800 0.120 0.000 1.176 262 D HN 0.344 nan 8.370 nan 0.000 0.461 263 E N 1.943 122.131 120.200 -0.020 0.000 2.106 263 E HA -0.165 4.057 4.350 -0.213 0.000 0.192 263 E C 1.528 178.105 176.600 -0.039 0.000 0.984 263 E CA 1.364 57.745 56.400 -0.032 0.000 0.806 263 E CB -0.353 29.339 29.700 -0.015 0.000 0.750 263 E HN 0.386 nan 8.360 nan 0.000 0.458 264 T N 0.515 115.057 114.554 -0.019 0.000 2.737 264 T HA -0.094 4.128 4.350 -0.213 0.000 0.265 264 T C 1.967 176.638 174.700 -0.049 0.000 1.038 264 T CA 1.479 63.564 62.100 -0.025 0.000 1.144 264 T CB -0.322 68.545 68.868 -0.002 0.000 0.866 264 T HN 0.059 nan 8.240 nan 0.000 0.434 265 V N 1.313 121.197 119.914 -0.050 0.000 2.307 265 V HA -0.141 3.852 4.120 -0.213 0.000 0.245 265 V C 2.675 178.692 176.094 -0.127 0.000 1.045 265 V CA 1.238 63.486 62.300 -0.087 0.000 1.024 265 V CB -0.842 30.930 31.823 -0.085 0.000 0.651 265 V HN 0.298 nan 8.190 nan 0.000 0.449 266 V N 0.222 120.024 119.914 -0.187 0.000 2.255 266 V HA -0.315 3.677 4.120 -0.213 0.000 0.247 266 V C 2.609 178.593 176.094 -0.183 0.000 1.051 266 V CA 2.581 64.709 62.300 -0.288 0.000 1.018 266 V CB -0.844 30.743 31.823 -0.394 0.000 0.641 266 V HN 0.494 nan 8.190 nan 0.000 0.445 267 R N -0.259 120.170 120.500 -0.120 0.000 2.096 267 R HA -0.202 4.011 4.340 -0.213 0.000 0.240 267 R C 2.326 178.587 176.300 -0.064 0.000 1.139 267 R CA 2.307 58.360 56.100 -0.078 0.000 0.952 267 R CB -0.573 29.694 30.300 -0.055 0.000 0.854 267 R HN 0.552 nan 8.270 nan 0.000 0.436 268 T N 0.356 114.870 114.554 -0.067 0.000 2.821 268 T HA -0.067 4.155 4.350 -0.213 0.000 0.267 268 T C 1.808 176.492 174.700 -0.026 0.000 1.046 268 T CA 1.268 63.333 62.100 -0.059 0.000 1.139 268 T CB -0.041 68.792 68.868 -0.059 0.000 0.871 268 T HN 0.046 nan 8.240 nan 0.000 0.454 269 V N 1.425 121.330 119.914 -0.016 0.000 2.307 269 V HA -0.152 3.840 4.120 -0.213 0.000 0.245 269 V C 2.614 178.767 176.094 0.099 0.000 1.045 269 V CA 1.575 63.903 62.300 0.048 0.000 1.024 269 V CB -0.498 31.358 31.823 0.055 0.000 0.651 269 V HN 0.381 nan 8.190 nan 0.000 0.449 270 R N 0.107 120.639 120.500 0.054 0.000 2.080 270 R HA -0.185 4.027 4.340 -0.213 0.000 0.236 270 R C 2.096 178.458 176.300 0.104 0.000 1.137 270 R CA 1.991 58.142 56.100 0.084 0.000 0.943 270 R CB -0.575 29.683 30.300 -0.070 0.000 0.846 270 R HN 0.514 nan 8.270 nan 0.000 0.431 271 D N 0.056 120.488 120.400 0.054 0.000 2.144 271 D HA -0.073 4.440 4.640 -0.213 0.000 0.200 271 D C 1.985 178.338 176.300 0.089 0.000 0.978 271 D CA 1.198 55.239 54.000 0.069 0.000 0.833 271 D CB -0.215 40.593 40.800 0.012 0.000 0.961 271 D HN 0.075 nan 8.370 nan 0.000 0.470 272 S N 0.369 116.091 115.700 0.037 0.000 2.368 272 S HA -0.107 4.235 4.470 -0.213 0.000 0.225 272 S C 1.957 176.615 174.600 0.096 0.000 1.030 272 S CA 0.754 58.980 58.200 0.043 0.000 0.999 272 S CB -0.036 63.158 63.200 -0.009 0.000 0.844 272 S HN 0.192 nan 8.310 nan 0.000 0.459 273 M N 1.220 120.840 119.600 0.034 0.000 2.086 273 M HA -0.059 4.293 4.480 -0.213 0.000 0.261 273 M C 2.274 178.566 176.300 -0.014 0.000 1.067 273 M CA 1.461 56.691 55.300 -0.116 0.000 1.116 273 M CB -1.428 30.841 32.600 -0.553 0.000 1.348 273 M HN 0.221 nan 8.290 nan 0.000 0.407 274 E N -0.569 119.703 120.200 0.120 0.000 2.049 274 E HA -0.251 3.971 4.350 -0.213 0.000 0.198 274 E C 1.876 178.615 176.600 0.231 0.000 1.007 274 E CA 2.013 58.643 56.400 0.383 0.000 0.809 274 E CB -0.537 29.366 29.700 0.339 0.000 0.749 274 E HN 0.497 nan 8.360 nan 0.000 0.450 275 W N 0.009 121.294 121.300 -0.024 0.000 2.333 275 W HA -0.220 4.309 4.660 -0.217 0.000 0.316 275 W C 2.055 178.497 176.519 -0.128 0.000 1.215 275 W CA 2.077 59.320 57.345 -0.169 0.000 1.278 275 W CB -0.254 29.119 29.460 -0.144 0.000 1.154 275 W HN 0.100 nan 8.180 nan 0.000 0.486 276 M N -0.435 119.316 119.600 0.252 0.000 2.082 276 M HA -0.273 4.079 4.480 -0.213 0.000 0.258 276 M C 2.112 178.493 176.300 0.134 0.000 1.069 276 M CA 2.444 57.834 55.300 0.149 0.000 1.102 276 M CB -2.190 30.467 32.600 0.094 0.000 1.336 276 M HN 0.275 nan 8.290 nan 0.000 0.404 277 H N 0.381 119.540 119.070 0.148 0.000 2.319 277 H HA -0.151 4.278 4.556 -0.211 0.000 0.299 277 H C 2.079 177.417 175.328 0.016 0.000 1.092 277 H CA 2.544 58.700 56.048 0.180 0.000 1.302 277 H CB -0.186 29.799 29.762 0.372 0.000 1.373 277 H HN 0.355 nan 8.280 nan 0.000 0.497 278 K N -1.425 118.736 120.400 -0.398 0.000 2.155 278 K HA -0.083 4.109 4.320 -0.213 0.000 0.203 278 K C 1.496 177.899 176.600 -0.328 0.000 1.052 278 K CA 1.551 57.545 56.287 -0.487 0.000 0.948 278 K CB -0.001 32.197 32.500 -0.503 0.000 0.728 278 K HN 0.593 nan 8.250 nan 0.000 0.448 279 H N -2.030 116.715 119.070 -0.542 0.000 2.594 279 H HA 0.115 4.545 4.556 -0.210 0.000 0.274 279 H C 1.518 176.489 175.328 -0.595 0.000 0.982 279 H CA 0.387 56.046 56.048 -0.649 0.000 1.228 279 H CB 1.066 30.146 29.762 -1.136 0.000 1.447 279 H HN -0.056 nan 8.280 nan 0.000 0.485 280 V N -0.569 119.130 119.914 -0.358 0.000 2.806 280 V HA -0.021 3.971 4.120 -0.213 0.000 0.239 280 V C -0.528 175.571 176.094 0.008 0.000 1.113 280 V CA 0.553 62.628 62.300 -0.374 0.000 1.137 280 V CB 0.471 32.165 31.823 -0.216 0.000 0.865 280 V HN 0.245 nan 8.190 nan 0.000 0.482 281 Y N 3.792 124.107 120.300 0.025 0.000 2.488 281 Y HA 0.538 4.959 4.550 -0.215 0.000 0.330 281 Y C -0.346 175.710 175.900 0.261 0.000 1.013 281 Y CA -1.372 56.832 58.100 0.174 0.000 1.304 281 Y CB 0.486 39.070 38.460 0.208 0.000 1.098 281 Y HN 0.475 nan 8.280 nan 0.000 0.498 282 N N 0.788 119.468 118.700 -0.034 0.000 3.204 282 N HA 0.241 4.853 4.740 -0.213 0.000 0.285 282 N C -0.340 175.149 175.510 -0.034 0.000 1.536 282 N CA -0.798 52.247 53.050 -0.008 0.000 0.832 282 N CB 1.435 39.943 38.487 0.034 0.000 1.645 282 N HN 0.178 nan 8.380 nan 0.000 0.586 283 S N -0.128 115.534 115.700 -0.063 0.000 2.447 283 S HA -0.082 4.260 4.470 -0.213 0.000 0.233 283 S C 0.902 175.435 174.600 -0.112 0.000 1.006 283 S CA 1.102 59.208 58.200 -0.157 0.000 0.957 283 S CB -0.318 62.795 63.200 -0.145 0.000 0.773 283 S HN 0.507 nan 8.310 nan 0.000 0.507 284 E N 1.359 121.536 120.200 -0.038 0.000 2.347 284 E HA 0.064 4.286 4.350 -0.213 0.000 0.196 284 E C 0.471 177.100 176.600 0.048 0.000 1.008 284 E CA 0.636 57.031 56.400 -0.010 0.000 0.852 284 E CB -0.013 29.684 29.700 -0.005 0.000 0.783 284 E HN 0.287 nan 8.360 nan 0.000 0.505 285 K N 0.444 120.916 120.400 0.121 0.000 2.168 285 K HA 0.333 4.525 4.320 -0.213 0.000 0.258 285 K C 0.258 177.042 176.600 0.306 0.000 1.010 285 K CA -0.162 56.278 56.287 0.254 0.000 0.929 285 K CB 1.209 33.953 32.500 0.405 0.000 0.998 285 K HN -0.153 nan 8.250 nan 0.000 0.479 286 S N 0.495 116.345 115.700 0.249 0.000 2.607 286 S HA 0.492 4.834 4.470 -0.213 0.000 0.303 286 S C 0.210 174.778 174.600 -0.054 0.000 1.086 286 S CA -0.810 57.488 58.200 0.162 0.000 0.995 286 S CB 0.960 64.207 63.200 0.078 0.000 1.084 286 S HN 0.364 nan 8.310 nan 0.000 0.507 287 I N 2.395 122.844 120.570 -0.202 0.000 2.587 287 I HA 0.123 4.165 4.170 -0.213 0.000 0.284 287 I C -0.742 175.146 176.117 -0.380 0.000 1.134 287 I CA 0.038 60.913 61.300 -0.707 0.000 1.410 287 I CB 0.205 37.946 38.000 -0.433 0.000 1.392 287 I HN 0.120 nan 8.210 nan 0.000 0.545 288 V N 6.671 126.358 119.914 -0.377 0.000 2.407 288 V HA 0.786 4.778 4.120 -0.213 0.000 0.291 288 V C 0.593 176.709 176.094 0.037 0.000 1.018 288 V CA 0.113 62.377 62.300 -0.060 0.000 0.842 288 V CB 0.710 32.571 31.823 0.063 0.000 0.996 288 V HN 1.156 nan 8.190 nan 0.000 0.426 289 G N 5.325 114.132 108.800 0.013 0.000 2.484 289 G HA2 -0.208 3.624 3.960 -0.213 0.000 0.225 289 G HA3 -0.208 3.624 3.960 -0.213 0.000 0.225 289 G C -0.268 174.650 174.900 0.029 0.000 1.250 289 G CA 0.064 45.190 45.100 0.044 0.000 0.926 289 G HN 1.039 nan 8.290 nan 0.000 0.581 290 N N 1.570 120.304 118.700 0.058 0.000 2.458 290 N HA 0.583 5.196 4.740 -0.213 0.000 0.270 290 N C 1.338 176.888 175.510 0.066 0.000 1.102 290 N CA 1.122 54.192 53.050 0.033 0.000 0.967 290 N CB 1.270 39.767 38.487 0.018 0.000 1.078 290 N HN 1.392 nan 8.380 nan 0.000 0.471 291 A N 3.913 126.749 122.820 0.026 0.000 2.067 291 A HA 0.008 4.201 4.320 -0.213 0.000 0.219 291 A C 2.055 179.663 177.584 0.040 0.000 1.158 291 A CA 1.475 53.538 52.037 0.044 0.000 0.661 291 A CB -0.956 18.064 19.000 0.033 0.000 0.801 291 A HN 0.823 nan 8.150 nan 0.000 0.452 292 A N 0.296 123.114 122.820 -0.002 0.000 1.940 292 A HA -0.231 3.961 4.320 -0.213 0.000 0.219 292 A C 1.773 179.331 177.584 -0.045 0.000 1.176 292 A CA 1.871 53.877 52.037 -0.052 0.000 0.631 292 A CB -0.470 18.511 19.000 -0.032 0.000 0.814 292 A HN 0.515 nan 8.150 nan 0.000 0.446 293 D N -1.457 118.936 120.400 -0.013 0.000 2.097 293 D HA -0.124 4.388 4.640 -0.213 0.000 0.197 293 D C 1.634 177.837 176.300 -0.162 0.000 0.984 293 D CA 1.351 55.299 54.000 -0.088 0.000 0.826 293 D CB -0.341 40.406 40.800 -0.088 0.000 0.973 293 D HN 0.602 nan 8.370 nan 0.000 0.460 294 Y N 1.488 121.679 120.300 -0.182 0.000 2.373 294 Y HA -0.050 4.373 4.550 -0.212 0.000 0.293 294 Y C 2.194 178.015 175.900 -0.132 0.000 1.129 294 Y CA 0.877 58.815 58.100 -0.270 0.000 1.226 294 Y CB 0.129 38.273 38.460 -0.526 0.000 1.000 294 Y HN 0.071 nan 8.280 nan 0.000 0.549 295 E N -1.784 118.472 120.200 0.094 0.000 2.330 295 E HA 0.048 4.270 4.350 -0.213 0.000 0.200 295 E C 0.993 177.699 176.600 0.176 0.000 0.922 295 E CA 0.578 57.109 56.400 0.219 0.000 0.935 295 E CB 0.236 30.088 29.700 0.252 0.000 0.917 295 E HN 0.281 nan 8.360 nan 0.000 0.491 296 I N 0.190 120.766 120.570 0.011 0.000 3.523 296 I HA 0.117 4.159 4.170 -0.213 0.000 0.244 296 I C 2.319 178.418 176.117 -0.029 0.000 1.110 296 I CA 0.920 62.224 61.300 0.007 0.000 1.517 296 I CB -1.057 36.896 38.000 -0.078 0.000 1.505 296 I HN 0.068 nan 8.210 nan 0.000 0.460 297 G N -0.262 108.492 108.800 -0.076 0.000 2.440 297 G HA2 -0.217 3.615 3.960 -0.213 0.000 0.218 297 G HA3 -0.217 3.615 3.960 -0.213 0.000 0.218 297 G C 1.642 176.455 174.900 -0.144 0.000 1.154 297 G CA 1.869 46.909 45.100 -0.100 0.000 0.767 297 G HN 0.347 nan 8.290 nan 0.000 0.552 298 T N 1.238 115.657 114.554 -0.225 0.000 2.852 298 T HA 0.037 4.260 4.350 -0.213 0.000 0.256 298 T C 0.135 174.621 174.700 -0.356 0.000 1.038 298 T CA 1.081 62.949 62.100 -0.386 0.000 1.141 298 T CB -0.588 67.864 68.868 -0.694 0.000 0.869 298 T HN 0.187 nan 8.240 nan 0.000 0.439 299 P HA -0.048 nan 4.420 nan 0.000 0.216 299 P C 1.325 178.594 177.300 -0.051 0.000 1.150 299 P CA 1.207 64.274 63.100 -0.055 0.000 0.843 299 P CB -0.015 31.732 31.700 0.077 0.000 0.787 300 R N -0.571 119.911 120.500 -0.029 0.000 2.096 300 R HA -0.021 4.192 4.340 -0.213 0.000 0.235 300 R C 2.288 178.587 176.300 -0.002 0.000 1.127 300 R CA 1.463 57.574 56.100 0.018 0.000 0.968 300 R CB -0.963 29.363 30.300 0.042 0.000 0.861 300 R HN 0.165 nan 8.270 nan 0.000 0.440 301 A N 0.988 123.763 122.820 -0.075 0.000 1.929 301 A HA -0.060 4.133 4.320 -0.213 0.000 0.216 301 A C 2.116 179.649 177.584 -0.086 0.000 1.176 301 A CA 0.889 52.887 52.037 -0.066 0.000 0.628 301 A CB -0.319 18.638 19.000 -0.072 0.000 0.816 301 A HN 0.147 nan 8.150 nan 0.000 0.444 302 I N 0.174 120.619 120.570 -0.208 0.000 2.179 302 I HA -0.272 3.770 4.170 -0.213 0.000 0.242 302 I C 2.152 178.222 176.117 -0.079 0.000 1.088 302 I CA 1.230 62.411 61.300 -0.198 0.000 1.357 302 I CB -0.393 37.447 38.000 -0.268 0.000 1.051 302 I HN 0.296 nan 8.210 nan 0.000 0.409 303 N N 0.980 119.660 118.700 -0.034 0.000 2.120 303 N HA -0.162 4.450 4.740 -0.213 0.000 0.188 303 N C 1.587 177.151 175.510 0.090 0.000 1.024 303 N CA 1.286 54.345 53.050 0.015 0.000 0.852 303 N CB -0.563 37.937 38.487 0.021 0.000 1.003 303 N HN 0.321 nan 8.380 nan 0.000 0.424 304 N N 0.079 118.855 118.700 0.126 0.000 2.142 304 N HA -0.044 4.568 4.740 -0.213 0.000 0.186 304 N C 1.635 177.207 175.510 0.103 0.000 1.023 304 N CA 1.016 54.174 53.050 0.180 0.000 0.852 304 N CB -0.772 37.799 38.487 0.139 0.000 0.998 304 N HN 0.198 nan 8.380 nan 0.000 0.424 305 T N 1.803 116.387 114.554 0.050 0.000 2.665 305 T HA -0.074 4.149 4.350 -0.213 0.000 0.268 305 T C 2.054 176.775 174.700 0.035 0.000 1.035 305 T CA 0.906 63.030 62.100 0.040 0.000 1.151 305 T CB -0.359 68.520 68.868 0.020 0.000 0.862 305 T HN 0.139 nan 8.240 nan 0.000 0.438 306 L N 0.540 121.741 121.223 -0.037 0.000 2.017 306 L HA -0.105 4.107 4.340 -0.213 0.000 0.208 306 L C 2.912 179.817 176.870 0.058 0.000 1.073 306 L CA 1.163 55.945 54.840 -0.097 0.000 0.745 306 L CB -0.687 41.276 42.059 -0.161 0.000 0.894 306 L HN 0.270 nan 8.230 nan 0.000 0.432 307 S N 0.153 115.918 115.700 0.108 0.000 2.359 307 S HA -0.172 4.170 4.470 -0.213 0.000 0.224 307 S C 2.030 176.740 174.600 0.184 0.000 1.035 307 S CA 1.341 59.647 58.200 0.176 0.000 1.018 307 S CB -0.251 63.121 63.200 0.287 0.000 0.876 307 S HN 0.258 nan 8.310 nan 0.000 0.448 308 L N 0.268 121.590 121.223 0.165 0.000 2.042 308 L HA 0.014 4.226 4.340 -0.213 0.000 0.210 308 L C 2.010 179.009 176.870 0.215 0.000 1.076 308 L CA 1.246 56.181 54.840 0.158 0.000 0.749 308 L CB -0.237 41.893 42.059 0.118 0.000 0.893 308 L HN 0.359 nan 8.230 nan 0.000 0.432 309 M N -0.253 119.505 119.600 0.264 0.000 2.756 309 M HA 0.053 4.405 4.480 -0.213 0.000 0.320 309 M C 1.284 177.896 176.300 0.521 0.000 1.245 309 M CA -0.005 55.547 55.300 0.421 0.000 0.972 309 M CB 0.350 33.192 32.600 0.404 0.000 1.327 309 M HN 0.141 nan 8.290 nan 0.000 0.505 310 K N -0.317 120.287 120.400 0.339 0.000 2.439 310 K HA -0.063 4.130 4.320 -0.213 0.000 0.197 310 K C 0.634 177.373 176.600 0.231 0.000 1.041 310 K CA 1.032 57.494 56.287 0.293 0.000 0.970 310 K CB -0.032 32.575 32.500 0.179 0.000 0.773 310 K HN 0.419 nan 8.250 nan 0.000 0.479 311 E N -0.082 120.202 120.200 0.140 0.000 2.489 311 E HA -0.029 4.193 4.350 -0.213 0.000 0.193 311 E C 0.066 176.506 176.600 -0.266 0.000 1.057 311 E CA 0.260 56.605 56.400 -0.092 0.000 0.866 311 E CB 0.091 29.662 29.700 -0.216 0.000 0.916 311 E HN 0.452 nan 8.360 nan 0.000 0.500 312 Y N -1.336 119.003 120.300 0.066 0.000 2.500 312 Y HA 0.249 4.791 4.550 -0.014 0.000 0.246 312 Y C 0.024 175.744 175.900 -0.300 0.000 1.146 312 Y CA -0.337 57.695 58.100 -0.114 0.000 1.230 312 Y CB 0.653 39.010 38.460 -0.172 0.000 1.214 312 Y HN -0.114 nan 8.280 nan 0.000 0.526 313 F N -0.214 119.845 119.950 0.182 0.000 2.522 313 F HA 0.454 4.869 4.527 -0.187 0.000 0.324 313 F C 0.619 176.474 175.800 0.092 0.000 1.077 313 F CA -1.502 56.590 58.000 0.153 0.000 0.944 313 F CB 1.362 40.472 39.000 0.183 0.000 1.175 313 F HN -0.265 nan 8.300 nan 0.000 0.468 314 S N 0.187 116.037 115.700 0.250 0.000 2.614 314 S HA 0.130 4.472 4.470 -0.213 0.000 0.265 314 S C 0.593 175.267 174.600 0.124 0.000 1.303 314 S CA -0.718 57.566 58.200 0.140 0.000 1.000 314 S CB 0.893 64.145 63.200 0.087 0.000 0.935 314 S HN 0.617 nan 8.310 nan 0.000 0.551 315 D N 1.163 121.601 120.400 0.063 0.000 2.149 315 D HA -0.102 4.411 4.640 -0.213 0.000 0.198 315 D C 1.746 178.043 176.300 -0.005 0.000 0.990 315 D CA 1.529 55.544 54.000 0.025 0.000 0.839 315 D CB -0.335 40.467 40.800 0.002 0.000 0.948 315 D HN 0.683 nan 8.370 nan 0.000 0.460 316 E N 1.079 121.272 120.200 -0.012 0.000 2.085 316 E HA -0.160 4.062 4.350 -0.213 0.000 0.194 316 E C 2.025 178.569 176.600 -0.093 0.000 0.994 316 E CA 0.875 57.245 56.400 -0.049 0.000 0.801 316 E CB -0.321 29.355 29.700 -0.039 0.000 0.743 316 E HN 0.432 nan 8.360 nan 0.000 0.453 317 E N 0.122 120.303 120.200 -0.031 0.000 2.047 317 E HA -0.103 4.119 4.350 -0.213 0.000 0.191 317 E C 2.103 178.637 176.600 -0.111 0.000 0.987 317 E CA 0.825 57.168 56.400 -0.095 0.000 0.799 317 E CB -0.157 29.711 29.700 0.281 0.000 0.752 317 E HN 0.215 nan 8.360 nan 0.000 0.449 318 I N 1.152 121.739 120.570 0.027 0.000 2.208 318 I HA -0.325 3.717 4.170 -0.213 0.000 0.245 318 I C 2.494 178.574 176.117 -0.063 0.000 1.097 318 I CA 1.222 62.519 61.300 -0.005 0.000 1.363 318 I CB -0.183 37.822 38.000 0.008 0.000 1.051 318 I HN 0.034 nan 8.210 nan 0.000 0.413 319 K N 1.460 121.804 120.400 -0.093 0.000 1.991 319 K HA -0.262 3.930 4.320 -0.213 0.000 0.212 319 K C 2.293 178.794 176.600 -0.165 0.000 1.049 319 K CA 1.675 57.895 56.287 -0.113 0.000 0.932 319 K CB -0.179 32.261 32.500 -0.101 0.000 0.717 319 K HN 0.027 nan 8.250 nan 0.000 0.441 320 K N -0.365 119.877 120.400 -0.264 0.000 2.059 320 K HA -0.223 3.969 4.320 -0.213 0.000 0.212 320 K C 1.833 178.138 176.600 -0.492 0.000 1.050 320 K CA 1.933 57.960 56.287 -0.433 0.000 0.927 320 K CB -0.215 31.904 32.500 -0.635 0.000 0.714 320 K HN 0.284 nan 8.250 nan 0.000 0.447 321 Y N 0.149 120.308 120.300 -0.235 0.000 2.544 321 Y HA -0.027 4.389 4.550 -0.224 0.000 0.286 321 Y C 2.253 178.079 175.900 -0.124 0.000 1.141 321 Y CA 1.267 59.242 58.100 -0.209 0.000 1.299 321 Y CB -0.015 38.341 38.460 -0.173 0.000 1.030 321 Y HN 0.279 nan 8.280 nan 0.000 0.543 322 T N -5.033 109.524 114.554 0.006 0.000 3.023 322 T HA 0.042 4.264 4.350 -0.213 0.000 0.253 322 T C 1.256 175.941 174.700 -0.024 0.000 1.038 322 T CA 0.209 62.310 62.100 0.002 0.000 0.962 322 T CB -0.008 68.850 68.868 -0.018 0.000 1.018 322 T HN -0.030 nan 8.240 nan 0.000 0.521 323 D N 1.787 122.147 120.400 -0.066 0.000 2.149 323 D HA -0.132 4.380 4.640 -0.213 0.000 0.194 323 D C 2.139 178.404 176.300 -0.058 0.000 1.001 323 D CA 1.121 55.079 54.000 -0.070 0.000 0.849 323 D CB -0.549 40.199 40.800 -0.086 0.000 0.939 323 D HN 0.308 nan 8.370 nan 0.000 0.449 324 V N 0.871 120.757 119.914 -0.046 0.000 2.392 324 V HA -0.230 3.763 4.120 -0.213 0.000 0.249 324 V C 2.293 178.419 176.094 0.053 0.000 1.059 324 V CA 1.252 63.507 62.300 -0.075 0.000 1.051 324 V CB -0.308 31.393 31.823 -0.203 0.000 0.658 324 V HN 0.175 nan 8.190 nan 0.000 0.455 325 I N -0.184 120.451 120.570 0.108 0.000 2.179 325 I HA -0.171 3.871 4.170 -0.213 0.000 0.242 325 I C 2.667 178.856 176.117 0.120 0.000 1.088 325 I CA 1.654 63.063 61.300 0.182 0.000 1.357 325 I CB -0.576 37.496 38.000 0.120 0.000 1.051 325 I HN 0.340 nan 8.210 nan 0.000 0.409 326 E N 1.002 121.218 120.200 0.028 0.000 2.097 326 E HA -0.279 3.944 4.350 -0.213 0.000 0.196 326 E C 2.033 178.606 176.600 -0.045 0.000 1.000 326 E CA 1.154 57.545 56.400 -0.015 0.000 0.804 326 E CB -0.455 29.219 29.700 -0.044 0.000 0.740 326 E HN 0.416 nan 8.360 nan 0.000 0.454 327 K N 0.254 120.584 120.400 -0.116 0.000 2.097 327 K HA -0.105 4.087 4.320 -0.213 0.000 0.205 327 K C 1.950 178.384 176.600 -0.276 0.000 1.050 327 K CA 0.876 57.007 56.287 -0.260 0.000 0.938 327 K CB -0.152 32.083 32.500 -0.441 0.000 0.718 327 K HN 0.053 nan 8.250 nan 0.000 0.442 328 F N 0.514 120.501 119.950 0.062 0.000 2.416 328 F HA 0.011 4.409 4.527 -0.215 0.000 0.296 328 F C 0.964 176.845 175.800 0.135 0.000 1.099 328 F CA 0.340 58.417 58.000 0.128 0.000 1.427 328 F CB 0.459 39.591 39.000 0.220 0.000 1.079 328 F HN -0.267 nan 8.300 nan 0.000 0.536 329 V N 1.149 121.201 119.914 0.229 0.000 2.462 329 V HA 0.206 4.198 4.120 -0.213 0.000 0.257 329 V C -1.977 174.112 176.094 -0.009 0.000 0.944 329 V CA -0.968 61.389 62.300 0.096 0.000 0.903 329 V CB 0.830 32.716 31.823 0.106 0.000 1.128 329 V HN -0.106 nan 8.190 nan 0.000 0.486 330 P HA 0.100 nan 4.420 nan 0.000 0.216 330 P C 0.306 177.569 177.300 -0.061 0.000 1.151 330 P CA 0.689 63.764 63.100 -0.041 0.000 0.863 330 P CB 0.635 32.314 31.700 -0.034 0.000 0.790 331 D N 0.428 120.790 120.400 -0.062 0.000 2.304 331 D HA 0.097 4.610 4.640 -0.213 0.000 0.250 331 D C -1.167 175.045 176.300 -0.146 0.000 1.107 331 D CA -2.354 51.608 54.000 -0.064 0.000 0.885 331 D CB 1.086 41.898 40.800 0.021 0.000 1.192 331 D HN -0.040 nan 8.370 nan 0.000 0.436 332 P HA -0.159 nan 4.420 nan 0.000 0.216 332 P C 0.714 177.870 177.300 -0.240 0.000 1.150 332 P CA 1.174 64.170 63.100 -0.174 0.000 0.837 332 P CB 0.531 32.159 31.700 -0.120 0.000 0.786 333 E N -1.985 118.060 120.200 -0.258 0.000 2.385 333 E HA -0.012 4.210 4.350 -0.213 0.000 0.194 333 E C -0.021 176.239 176.600 -0.567 0.000 1.013 333 E CA 0.382 56.525 56.400 -0.427 0.000 0.866 333 E CB -0.063 29.301 29.700 -0.559 0.000 0.832 333 E HN 0.488 nan 8.360 nan 0.000 0.500 334 H N -1.570 117.381 119.070 -0.198 0.000 2.689 334 H HA 0.287 4.715 4.556 -0.213 0.000 0.346 334 H C -1.381 173.838 175.328 -0.182 0.000 1.037 334 H CA -0.680 55.266 56.048 -0.169 0.000 1.234 334 H CB 0.954 30.661 29.762 -0.091 0.000 1.572 334 H HN -0.079 nan 8.280 nan 0.000 0.524 335 F N 3.879 123.742 119.950 -0.145 0.000 2.319 335 F HA 0.431 4.829 4.527 -0.214 0.000 0.356 335 F C 0.378 176.147 175.800 -0.052 0.000 1.100 335 F CA -0.369 57.539 58.000 -0.153 0.000 1.220 335 F CB -0.102 38.721 39.000 -0.295 0.000 1.506 335 F HN 0.595 nan 8.300 nan 0.000 0.512 336 R N 1.046 121.738 120.500 0.321 0.000 2.605 336 R HA -0.066 4.146 4.340 -0.213 0.000 0.031 336 R C 1.448 177.864 176.300 0.193 0.000 0.498 336 R CA -0.020 56.244 56.100 0.273 0.000 0.751 336 R CB -0.241 30.226 30.300 0.278 0.000 0.802 336 R HN 0.118 nan 8.270 nan 0.000 0.599 337 K N 1.475 121.969 120.400 0.156 0.000 2.281 337 K HA -0.053 4.139 4.320 -0.213 0.000 0.203 337 K C 1.544 178.178 176.600 0.058 0.000 1.046 337 K CA 2.199 58.532 56.287 0.076 0.000 0.938 337 K CB -0.128 32.395 32.500 0.039 0.000 0.737 337 K HN 0.406 nan 8.250 nan 0.000 0.458 338 T N -2.246 112.364 114.554 0.093 0.000 3.081 338 T HA -0.004 4.219 4.350 -0.213 0.000 0.255 338 T C 1.094 175.832 174.700 0.064 0.000 1.113 338 T CA 0.411 62.544 62.100 0.056 0.000 1.082 338 T CB -0.455 68.432 68.868 0.031 0.000 0.939 338 T HN 0.205 nan 8.240 nan 0.000 0.506 339 T N 0.162 114.767 114.554 0.085 0.000 2.698 339 T HA 0.229 4.452 4.350 -0.213 0.000 0.295 339 T C 0.455 175.176 174.700 0.036 0.000 1.007 339 T CA -0.333 61.805 62.100 0.064 0.000 0.980 339 T CB 0.329 69.239 68.868 0.071 0.000 1.036 339 T HN -0.098 nan 8.240 nan 0.000 0.526 340 D N 0.451 120.866 120.400 0.024 0.000 2.340 340 D HA 0.117 4.630 4.640 -0.213 0.000 0.220 340 D C -0.348 175.962 176.300 0.016 0.000 1.039 340 D CA 0.259 54.268 54.000 0.014 0.000 0.866 340 D CB -0.361 40.444 40.800 0.008 0.000 0.913 340 D HN 0.727 nan 8.370 nan 0.000 0.523 341 N N 0.062 118.779 118.700 0.028 0.000 2.732 341 N HA 0.297 4.909 4.740 -0.213 0.000 0.247 341 N C -2.940 172.615 175.510 0.076 0.000 1.305 341 N CA -1.085 51.986 53.050 0.035 0.000 0.762 341 N CB 1.866 40.361 38.487 0.014 0.000 1.361 341 N HN -0.179 nan 8.380 nan 0.000 0.545 342 P HA 0.450 nan 4.420 nan 0.000 0.293 342 P C -1.071 176.364 177.300 0.225 0.000 1.291 342 P CA -0.653 62.540 63.100 0.155 0.000 0.867 342 P CB 0.938 32.692 31.700 0.091 0.000 1.074 343 F N -0.076 119.917 119.950 0.071 0.000 2.671 343 F HA 0.689 5.089 4.527 -0.213 0.000 0.373 343 F C -0.404 175.491 175.800 0.158 0.000 1.122 343 F CA -1.368 56.681 58.000 0.082 0.000 1.082 343 F CB 1.480 40.502 39.000 0.037 0.000 1.399 343 F HN -0.042 nan 8.300 nan 0.000 0.509 344 K N 1.573 121.930 120.400 -0.071 0.000 2.227 344 K HA 0.533 4.725 4.320 -0.213 0.000 0.280 344 K C -0.713 175.638 176.600 -0.415 0.000 1.041 344 K CA -0.689 55.512 56.287 -0.144 0.000 0.905 344 K CB 1.464 33.985 32.500 0.034 0.000 1.068 344 K HN 0.816 nan 8.250 nan 0.000 0.470 345 A N 6.049 128.677 122.820 -0.321 0.000 2.475 345 A HA 0.221 4.413 4.320 -0.213 0.000 0.293 345 A C -0.393 177.133 177.584 -0.097 0.000 1.252 345 A CA 0.069 51.995 52.037 -0.186 0.000 0.920 345 A CB -0.382 18.553 19.000 -0.109 0.000 1.125 345 A HN 0.655 nan 8.150 nan 0.000 0.528 346 L N 2.308 123.508 121.223 -0.038 0.000 2.370 346 L HA 0.732 4.944 4.340 -0.213 0.000 0.266 346 L C 0.825 177.709 176.870 0.024 0.000 1.002 346 L CA 0.135 54.969 54.840 -0.010 0.000 0.818 346 L CB 2.193 44.243 42.059 -0.015 0.000 1.325 346 L HN 1.103 nan 8.230 nan 0.000 0.418 347 G N 1.518 110.332 108.800 0.023 0.000 2.484 347 G HA2 -0.199 3.633 3.960 -0.213 0.000 0.225 347 G HA3 -0.199 3.633 3.960 -0.213 0.000 0.225 347 G C 0.632 175.575 174.900 0.071 0.000 1.250 347 G CA -0.066 45.082 45.100 0.081 0.000 0.926 347 G HN 0.937 nan 8.290 nan 0.000 0.581 348 G N -0.117 108.744 108.800 0.102 0.000 2.448 348 G HA2 -0.119 3.713 3.960 -0.213 0.000 0.219 348 G HA3 -0.119 3.713 3.960 -0.213 0.000 0.219 348 G C 1.439 176.405 174.900 0.111 0.000 1.127 348 G CA 1.596 46.742 45.100 0.077 0.000 0.766 348 G HN 0.779 nan 8.290 nan 0.000 0.552 349 N N -0.124 118.656 118.700 0.132 0.000 2.120 349 N HA -0.110 4.502 4.740 -0.213 0.000 0.188 349 N C 2.025 177.694 175.510 0.265 0.000 1.024 349 N CA 0.777 53.923 53.050 0.161 0.000 0.852 349 N CB -0.130 38.432 38.487 0.125 0.000 1.003 349 N HN 0.192 nan 8.380 nan 0.000 0.424 350 L N 1.170 122.477 121.223 0.141 0.000 2.131 350 L HA -0.085 4.127 4.340 -0.213 0.000 0.210 350 L C 1.920 178.825 176.870 0.058 0.000 1.092 350 L CA 1.257 56.138 54.840 0.069 0.000 0.759 350 L CB -0.227 41.831 42.059 -0.002 0.000 0.903 350 L HN -0.041 nan 8.230 nan 0.000 0.435 351 V N -1.148 118.807 119.914 0.068 0.000 2.649 351 V HA -0.137 3.855 4.120 -0.213 0.000 0.248 351 V C 2.078 178.229 176.094 0.094 0.000 1.054 351 V CA 1.290 63.624 62.300 0.058 0.000 1.073 351 V CB -0.464 31.388 31.823 0.049 0.000 0.699 351 V HN 0.350 nan 8.190 nan 0.000 0.463 352 D N -0.252 120.230 120.400 0.138 0.000 2.178 352 D HA -0.178 4.334 4.640 -0.213 0.000 0.201 352 D C 1.985 178.439 176.300 0.257 0.000 0.980 352 D CA 1.257 55.361 54.000 0.173 0.000 0.842 352 D CB -0.054 40.827 40.800 0.135 0.000 0.948 352 D HN 0.379 nan 8.370 nan 0.000 0.472 353 M N 0.211 119.994 119.600 0.305 0.000 2.132 353 M HA 0.001 4.353 4.480 -0.213 0.000 0.263 353 M C 1.948 178.243 176.300 -0.008 0.000 1.065 353 M CA 1.855 57.206 55.300 0.084 0.000 1.122 353 M CB -0.640 31.836 32.600 -0.206 0.000 1.365 353 M HN -0.035 nan 8.290 nan 0.000 0.411 354 G N 0.141 108.944 108.800 0.005 0.000 2.553 354 G HA2 -0.280 3.553 3.960 -0.213 0.000 0.218 354 G HA3 -0.280 3.553 3.960 -0.213 0.000 0.218 354 G C 1.786 176.660 174.900 -0.044 0.000 1.195 354 G CA 1.176 46.264 45.100 -0.021 0.000 0.779 354 G HN 0.488 nan 8.290 nan 0.000 0.577 355 R N -0.474 120.023 120.500 -0.006 0.000 2.075 355 R HA -0.006 4.206 4.340 -0.213 0.000 0.232 355 R C 2.807 179.068 176.300 -0.065 0.000 1.126 355 R CA 1.130 57.204 56.100 -0.043 0.000 0.963 355 R CB -0.468 29.889 30.300 0.094 0.000 0.858 355 R HN 0.327 nan 8.270 nan 0.000 0.435 356 V N 1.465 121.387 119.914 0.014 0.000 2.255 356 V HA -0.268 3.724 4.120 -0.213 0.000 0.247 356 V C 2.167 178.236 176.094 -0.043 0.000 1.051 356 V CA 1.769 64.080 62.300 0.019 0.000 1.018 356 V CB -0.269 31.620 31.823 0.110 0.000 0.641 356 V HN 0.277 nan 8.190 nan 0.000 0.445 357 K N -0.723 119.640 120.400 -0.062 0.000 2.242 357 K HA 0.118 4.310 4.320 -0.213 0.000 0.200 357 K C 2.068 178.610 176.600 -0.097 0.000 1.050 357 K CA 0.590 56.831 56.287 -0.077 0.000 0.981 357 K CB -0.135 32.312 32.500 -0.090 0.000 0.795 357 K HN 0.357 nan 8.250 nan 0.000 0.477 358 V N 2.213 122.052 119.914 -0.125 0.000 2.307 358 V HA -0.217 3.775 4.120 -0.213 0.000 0.245 358 V C 2.280 178.262 176.094 -0.187 0.000 1.045 358 V CA 1.361 63.577 62.300 -0.141 0.000 1.024 358 V CB -0.299 31.429 31.823 -0.160 0.000 0.651 358 V HN 0.127 nan 8.190 nan 0.000 0.449 359 I N 0.671 121.068 120.570 -0.288 0.000 2.252 359 I HA -0.150 3.892 4.170 -0.213 0.000 0.245 359 I C 2.692 178.711 176.117 -0.164 0.000 1.102 359 I CA 1.779 62.879 61.300 -0.334 0.000 1.385 359 I CB -1.843 35.861 38.000 -0.494 0.000 1.064 359 I HN 0.281 nan 8.210 nan 0.000 0.414 360 A N 1.057 123.807 122.820 -0.116 0.000 1.902 360 A HA -0.095 4.097 4.320 -0.213 0.000 0.217 360 A C 2.530 180.067 177.584 -0.078 0.000 1.181 360 A CA 1.856 53.849 52.037 -0.074 0.000 0.623 360 A CB -1.359 17.613 19.000 -0.047 0.000 0.818 360 A HN 0.422 nan 8.150 nan 0.000 0.443 361 G N -0.070 108.682 108.800 -0.080 0.000 2.440 361 G HA2 -0.186 3.646 3.960 -0.213 0.000 0.218 361 G HA3 -0.186 3.646 3.960 -0.213 0.000 0.218 361 G C 1.540 176.407 174.900 -0.056 0.000 1.154 361 G CA 1.108 46.168 45.100 -0.067 0.000 0.767 361 G HN 0.451 nan 8.290 nan 0.000 0.552 362 L N -0.248 120.961 121.223 -0.024 0.000 2.093 362 L HA 0.055 4.267 4.340 -0.213 0.000 0.208 362 L C 2.865 179.723 176.870 -0.021 0.000 1.085 362 L CA 0.375 55.255 54.840 0.067 0.000 0.755 362 L CB -0.379 41.717 42.059 0.062 0.000 0.904 362 L HN 0.165 nan 8.230 nan 0.000 0.435 363 L N -0.018 121.176 121.223 -0.048 0.000 2.093 363 L HA -0.151 4.062 4.340 -0.213 0.000 0.208 363 L C 2.243 179.059 176.870 -0.089 0.000 1.085 363 L CA 1.228 56.042 54.840 -0.042 0.000 0.755 363 L CB -0.256 41.780 42.059 -0.038 0.000 0.904 363 L HN 0.332 nan 8.230 nan 0.000 0.435 364 R N -0.095 120.329 120.500 -0.126 0.000 2.426 364 R HA 0.140 4.352 4.340 -0.213 0.000 0.263 364 R C -0.036 176.108 176.300 -0.261 0.000 0.961 364 R CA -0.245 55.762 56.100 -0.155 0.000 1.086 364 R CB -0.229 30.002 30.300 -0.114 0.000 1.186 364 R HN 0.016 nan 8.270 nan 0.000 0.537 365 K N 1.528 121.651 120.400 -0.461 0.000 3.156 365 K HA -0.188 4.004 4.320 -0.213 0.000 0.266 365 K C -0.716 175.515 176.600 -0.614 0.000 0.966 365 K CA 1.011 56.710 56.287 -0.980 0.000 0.719 365 K CB -0.996 31.027 32.500 -0.795 0.000 1.333 365 K HN 0.323 nan 8.250 nan 0.000 0.468 366 D N 0.772 120.971 120.400 -0.336 0.000 2.464 366 D HA 0.109 4.621 4.640 -0.213 0.000 0.243 366 D C 0.455 176.753 176.300 -0.003 0.000 1.104 366 D CA -0.417 53.508 54.000 -0.125 0.000 0.883 366 D CB 0.845 41.586 40.800 -0.100 0.000 1.050 366 D HN 0.030 nan 8.370 nan 0.000 0.524 367 D N 1.666 122.103 120.400 0.062 0.000 2.144 367 D HA -0.174 4.339 4.640 -0.213 0.000 0.199 367 D C 1.557 177.880 176.300 0.039 0.000 0.984 367 D CA 0.745 54.805 54.000 0.100 0.000 0.834 367 D CB 0.375 41.239 40.800 0.107 0.000 0.955 367 D HN 0.512 nan 8.370 nan 0.000 0.465 368 Q N 1.052 120.858 119.800 0.011 0.000 2.119 368 Q HA -0.168 4.044 4.340 -0.213 0.000 0.201 368 Q C 1.934 177.925 176.000 -0.014 0.000 0.972 368 Q CA 1.150 56.951 55.803 -0.004 0.000 0.847 368 Q CB -0.002 28.727 28.738 -0.013 0.000 0.903 368 Q HN 0.407 nan 8.270 nan 0.000 0.433 369 E N -0.208 119.979 120.200 -0.021 0.000 2.077 369 E HA -0.164 4.058 4.350 -0.213 0.000 0.193 369 E C 2.121 178.704 176.600 -0.029 0.000 0.989 369 E CA 1.139 57.519 56.400 -0.034 0.000 0.800 369 E CB -0.086 29.586 29.700 -0.046 0.000 0.746 369 E HN 0.409 nan 8.360 nan 0.000 0.452 370 I N 0.999 121.565 120.570 -0.007 0.000 2.163 370 I HA -0.271 3.771 4.170 -0.213 0.000 0.240 370 I C 2.768 178.880 176.117 -0.008 0.000 1.081 370 I CA 1.257 62.554 61.300 -0.005 0.000 1.353 370 I CB -0.478 37.541 38.000 0.033 0.000 1.054 370 I HN 0.177 nan 8.210 nan 0.000 0.407 371 S N 0.922 116.623 115.700 0.001 0.000 2.359 371 S HA -0.259 4.083 4.470 -0.213 0.000 0.223 371 S C 2.196 176.790 174.600 -0.011 0.000 1.039 371 S CA 1.744 59.943 58.200 -0.002 0.000 1.042 371 S CB -1.213 61.988 63.200 0.002 0.000 0.915 371 S HN 0.566 nan 8.310 nan 0.000 0.439 372 S N 1.410 117.098 115.700 -0.019 0.000 2.383 372 S HA -0.112 4.230 4.470 -0.213 0.000 0.227 372 S C 1.930 176.504 174.600 -0.042 0.000 1.026 372 S CA 1.487 59.669 58.200 -0.030 0.000 0.981 372 S CB -1.603 61.575 63.200 -0.037 0.000 0.818 372 S HN 0.604 nan 8.310 nan 0.000 0.472 373 T N 2.825 117.351 114.554 -0.046 0.000 2.746 373 T HA 0.100 4.322 4.350 -0.213 0.000 0.267 373 T C 1.727 176.404 174.700 -0.038 0.000 1.039 373 T CA 1.552 63.616 62.100 -0.059 0.000 1.142 373 T CB -0.498 68.331 68.868 -0.066 0.000 0.866 373 T HN 0.414 nan 8.240 nan 0.000 0.444 374 I N 0.491 121.050 120.570 -0.018 0.000 2.226 374 I HA -0.158 3.884 4.170 -0.213 0.000 0.245 374 I C 2.755 178.884 176.117 0.020 0.000 1.100 374 I CA 1.145 62.450 61.300 0.009 0.000 1.374 374 I CB -0.233 37.779 38.000 0.018 0.000 1.057 374 I HN 0.029 nan 8.210 nan 0.000 0.413 375 R N 0.251 120.754 120.500 0.006 0.000 2.105 375 R HA -0.163 4.049 4.340 -0.213 0.000 0.239 375 R C 2.571 178.871 176.300 0.001 0.000 1.135 375 R CA 1.582 57.687 56.100 0.009 0.000 0.967 375 R CB -0.659 29.637 30.300 -0.005 0.000 0.861 375 R HN 0.226 nan 8.270 nan 0.000 0.442 376 S N -0.279 115.404 115.700 -0.027 0.000 2.371 376 S HA 0.019 4.361 4.470 -0.213 0.000 0.224 376 S C 1.843 176.416 174.600 -0.044 0.000 1.029 376 S CA 0.757 58.924 58.200 -0.054 0.000 0.978 376 S CB -0.120 63.023 63.200 -0.094 0.000 0.833 376 S HN 0.240 nan 8.310 nan 0.000 0.466 377 I N 1.414 121.966 120.570 -0.030 0.000 2.335 377 I HA -0.183 3.859 4.170 -0.213 0.000 0.251 377 I C 2.316 178.400 176.117 -0.055 0.000 1.129 377 I CA 1.352 62.628 61.300 -0.040 0.000 1.402 377 I CB -0.309 37.686 38.000 -0.008 0.000 1.069 377 I HN 0.411 nan 8.210 nan 0.000 0.424 378 E N 0.423 120.662 120.200 0.065 0.000 2.267 378 E HA -0.287 3.935 4.350 -0.213 0.000 0.197 378 E C 2.039 178.741 176.600 0.169 0.000 0.998 378 E CA 1.082 57.623 56.400 0.235 0.000 0.830 378 E CB -0.113 29.724 29.700 0.228 0.000 0.751 378 E HN 0.644 nan 8.360 nan 0.000 0.491 379 Q N 0.482 120.312 119.800 0.050 0.000 2.437 379 Q HA -0.069 4.143 4.340 -0.213 0.000 0.210 379 Q C 2.019 178.041 176.000 0.036 0.000 0.972 379 Q CA 0.800 56.630 55.803 0.045 0.000 0.903 379 Q CB -0.074 28.668 28.738 0.006 0.000 0.967 379 Q HN 0.153 nan 8.270 nan 0.000 0.486 380 V N 0.491 120.368 119.914 -0.062 0.000 2.970 380 V HA -0.137 3.855 4.120 -0.213 0.000 0.260 380 V C 0.983 177.166 176.094 0.149 0.000 1.100 380 V CA 1.011 63.288 62.300 -0.039 0.000 1.122 380 V CB -0.563 31.167 31.823 -0.156 0.000 0.721 380 V HN 0.355 nan 8.190 nan 0.000 0.483 381 F N 0.506 120.637 119.950 0.302 0.000 2.802 381 F HA 0.212 4.611 4.527 -0.214 0.000 0.300 381 F C 1.282 177.191 175.800 0.182 0.000 1.168 381 F CA 0.163 58.305 58.000 0.236 0.000 1.433 381 F CB -0.383 38.636 39.000 0.030 0.000 1.115 381 F HN 0.036 nan 8.300 nan 0.000 0.582 382 K N 1.093 121.654 120.400 0.268 0.000 2.227 382 K HA 0.286 4.478 4.320 -0.213 0.000 0.280 382 K C -0.515 176.185 176.600 0.166 0.000 1.041 382 K CA -0.803 55.583 56.287 0.165 0.000 0.905 382 K CB 1.027 33.584 32.500 0.094 0.000 1.068 382 K HN -0.153 nan 8.250 nan 0.000 0.470 383 L N 3.639 124.937 121.223 0.125 0.000 2.426 383 L HA 0.114 4.327 4.340 -0.213 0.000 0.271 383 L C 0.016 176.871 176.870 -0.025 0.000 1.169 383 L CA 0.066 54.958 54.840 0.086 0.000 0.836 383 L CB 0.990 43.092 42.059 0.071 0.000 1.112 383 L HN 0.404 nan 8.230 nan 0.000 0.465 384 V N 0.071 119.883 119.914 -0.171 0.000 2.975 384 V HA 0.562 4.555 4.120 -0.213 0.000 0.318 384 V C 0.188 176.065 176.094 -0.362 0.000 1.077 384 V CA -0.564 61.573 62.300 -0.271 0.000 1.000 384 V CB 1.784 33.389 31.823 -0.362 0.000 1.066 384 V HN 0.718 nan 8.190 nan 0.000 0.452 385 D N -0.065 120.242 120.400 -0.155 0.000 2.389 385 D HA 0.248 4.760 4.640 -0.213 0.000 0.206 385 D C 0.431 176.857 176.300 0.209 0.000 1.055 385 D CA 0.679 54.706 54.000 0.046 0.000 0.856 385 D CB 0.510 41.343 40.800 0.056 0.000 0.957 385 D HN 0.751 nan 8.370 nan 0.000 0.509 386 Q N -1.711 118.155 119.800 0.110 0.000 2.721 386 Q HA 0.455 4.667 4.340 -0.213 0.000 0.282 386 Q C -0.281 175.776 176.000 0.096 0.000 0.932 386 Q CA -0.219 55.699 55.803 0.191 0.000 0.816 386 Q CB 1.491 30.293 28.738 0.107 0.000 1.506 386 Q HN 0.175 nan 8.270 nan 0.000 0.399 387 G N 1.419 110.294 108.800 0.124 0.000 2.598 387 G HA2 -0.253 3.579 3.960 -0.213 0.000 0.244 387 G HA3 -0.253 3.579 3.960 -0.213 0.000 0.244 387 G C -0.869 174.028 174.900 -0.005 0.000 1.302 387 G CA 0.046 45.173 45.100 0.045 0.000 0.903 387 G HN 0.625 nan 8.290 nan 0.000 0.575 388 E N 0.844 120.994 120.200 -0.082 0.000 2.373 388 E HA 0.478 4.700 4.350 -0.213 0.000 0.267 388 E C 0.722 177.139 176.600 -0.305 0.000 1.032 388 E CA 0.301 56.567 56.400 -0.222 0.000 0.889 388 E CB 0.991 30.599 29.700 -0.154 0.000 0.984 388 E HN 2.053 nan 8.360 nan 0.000 0.425 389 G N 1.350 109.811 108.800 -0.566 0.000 2.343 389 G HA2 -0.088 3.744 3.960 -0.213 0.000 0.562 389 G HA3 -0.088 3.744 3.960 -0.213 0.000 0.562 389 G C -1.315 173.279 174.900 -0.509 0.000 1.269 389 G CA -1.151 43.659 45.100 -0.483 0.000 1.011 389 G HN 0.297 nan 8.290 nan 0.000 0.498 390 F N 0.403 120.315 119.950 -0.063 0.000 2.396 390 F HA 0.703 5.101 4.527 -0.214 0.000 0.343 390 F C 0.491 176.236 175.800 -0.092 0.000 1.104 390 F CA -0.089 57.944 58.000 0.054 0.000 1.161 390 F CB 1.009 40.059 39.000 0.084 0.000 1.146 390 F HN 0.413 nan 8.300 nan 0.000 0.522 391 Y N 0.451 120.918 120.300 0.278 0.000 2.496 391 Y HA 0.220 4.643 4.550 -0.213 0.000 0.331 391 Y C 1.168 177.228 175.900 0.267 0.000 1.140 391 Y CA -0.839 57.387 58.100 0.209 0.000 1.166 391 Y CB 1.218 39.761 38.460 0.137 0.000 1.249 391 Y HN 0.532 nan 8.280 nan 0.000 0.479 392 Q N -0.194 119.811 119.800 0.342 0.000 2.364 392 Q HA -0.146 4.067 4.340 -0.213 0.000 0.209 392 Q C 0.611 176.802 176.000 0.319 0.000 0.977 392 Q CA 1.616 57.595 55.803 0.294 0.000 0.885 392 Q CB -0.240 28.608 28.738 0.182 0.000 0.941 392 Q HN 0.682 nan 8.270 nan 0.000 0.464 393 D N -0.901 119.677 120.400 0.296 0.000 2.339 393 D HA 0.130 4.642 4.640 -0.213 0.000 0.217 393 D C 1.214 177.699 176.300 0.309 0.000 1.050 393 D CA 0.531 54.655 54.000 0.206 0.000 0.856 393 D CB 0.117 40.984 40.800 0.110 0.000 0.922 393 D HN 0.290 nan 8.370 nan 0.000 0.518 394 G N -0.088 108.970 108.800 0.431 0.000 2.234 394 G HA2 -0.281 3.552 3.960 -0.213 0.000 0.235 394 G HA3 -0.281 3.552 3.960 -0.213 0.000 0.235 394 G C 0.453 175.593 174.900 0.401 0.000 0.997 394 G CA 0.141 45.544 45.100 0.504 0.000 0.623 394 G HN 0.420 nan 8.290 nan 0.000 0.514 395 S N -0.100 115.837 115.700 0.395 0.000 2.554 395 S HA 0.344 4.686 4.470 -0.213 0.000 0.290 395 S C -0.331 174.374 174.600 0.176 0.000 1.309 395 S CA 0.673 58.908 58.200 0.059 0.000 1.047 395 S CB 0.840 64.041 63.200 0.002 0.000 0.828 395 S HN 0.908 nan 8.310 nan 0.000 0.509 396 Y N 2.843 123.046 120.300 -0.161 0.000 2.329 396 Y HA 0.501 4.923 4.550 -0.213 0.000 0.328 396 Y C -1.008 174.787 175.900 -0.175 0.000 0.992 396 Y CA -0.942 56.979 58.100 -0.298 0.000 1.151 396 Y CB 0.538 38.588 38.460 -0.683 0.000 1.150 396 Y HN 0.438 nan 8.280 nan 0.000 0.450 397 I N 5.955 126.124 120.570 -0.668 0.000 2.385 397 I HA 0.321 4.363 4.170 -0.213 0.000 0.294 397 I C -0.232 175.449 176.117 -0.726 0.000 0.988 397 I CA -0.149 60.866 61.300 -0.475 0.000 1.265 397 I CB 1.434 39.359 38.000 -0.126 0.000 1.388 397 I HN 0.730 nan 8.210 nan 0.000 0.480 398 D N 2.987 123.197 120.400 -0.318 0.000 2.614 398 D HA 0.298 4.810 4.640 -0.213 0.000 0.264 398 D C -0.221 176.016 176.300 -0.105 0.000 1.092 398 D CA -0.443 53.389 54.000 -0.279 0.000 1.071 398 D CB 1.283 41.836 40.800 -0.413 0.000 1.443 398 D HN 0.574 nan 8.370 nan 0.000 0.528 399 H N 0.291 119.196 119.070 -0.274 0.000 2.355 399 H HA -0.240 4.188 4.556 -0.213 0.000 0.324 399 H C 0.515 175.766 175.328 -0.128 0.000 1.015 399 H CA 0.562 56.479 56.048 -0.219 0.000 1.101 399 H CB -0.909 28.748 29.762 -0.175 0.000 1.555 399 H HN 0.455 nan 8.280 nan 0.000 0.386 400 T N -1.324 113.225 114.554 -0.008 0.000 13.332 400 T HA -0.311 3.911 4.350 -0.213 0.000 0.417 400 T C 1.015 175.713 174.700 -0.003 0.000 1.456 400 T CA 1.767 63.859 62.100 -0.014 0.000 2.379 400 T CB -0.970 67.880 68.868 -0.030 0.000 2.783 400 T HN 0.731 nan 8.240 nan 0.000 0.576 401 N N 1.056 119.761 118.700 0.007 0.000 2.387 401 N HA 0.406 5.018 4.740 -0.213 0.000 0.259 401 N C -0.837 174.675 175.510 0.003 0.000 1.369 401 N CA -0.139 52.916 53.050 0.008 0.000 0.867 401 N CB 0.288 38.789 38.487 0.023 0.000 1.341 401 N HN 0.511 nan 8.380 nan 0.000 0.495 402 V N 0.754 120.673 119.914 0.008 0.000 2.435 402 V HA 0.755 4.747 4.120 -0.213 0.000 0.290 402 V C 0.554 176.606 176.094 -0.070 0.000 1.030 402 V CA -1.374 60.910 62.300 -0.027 0.000 0.881 402 V CB 1.152 32.992 31.823 0.028 0.000 0.983 402 V HN 0.391 nan 8.190 nan 0.000 0.445 403 A N 3.906 126.642 122.820 -0.140 0.000 2.522 403 A HA 0.392 4.584 4.320 -0.213 0.000 0.256 403 A C -0.311 177.155 177.584 -0.197 0.000 1.086 403 A CA 0.561 52.509 52.037 -0.147 0.000 0.763 403 A CB -0.478 18.443 19.000 -0.132 0.000 1.024 403 A HN 0.851 nan 8.150 nan 0.000 0.502 404 Y N 1.614 121.903 120.300 -0.019 0.000 2.926 404 Y HA 0.100 4.523 4.550 -0.212 0.000 0.258 404 Y C 1.806 177.796 175.900 0.150 0.000 1.110 404 Y CA 0.071 58.217 58.100 0.077 0.000 1.224 404 Y CB -0.187 38.338 38.460 0.109 0.000 1.276 404 Y HN 0.713 nan 8.280 nan 0.000 0.595 405 T N -1.510 113.154 114.554 0.184 0.000 2.759 405 T HA -0.164 4.058 4.350 -0.213 0.000 0.269 405 T C 2.006 176.733 174.700 0.046 0.000 1.042 405 T CA 1.826 63.899 62.100 -0.044 0.000 1.140 405 T CB -0.241 68.481 68.868 -0.243 0.000 0.864 405 T HN 0.547 nan 8.240 nan 0.000 0.455 406 G N -0.568 108.272 108.800 0.067 0.000 3.181 406 G HA2 0.487 4.319 3.960 -0.213 0.000 0.219 406 G HA3 0.487 4.319 3.960 -0.213 0.000 0.219 406 G C 0.840 175.763 174.900 0.038 0.000 1.182 406 G CA 0.554 45.686 45.100 0.052 0.000 0.791 406 G HN 0.582 nan 8.290 nan 0.000 0.537 407 A N -0.568 122.290 122.820 0.064 0.000 1.728 407 A HA 0.390 4.582 4.320 -0.213 0.000 0.202 407 A C 1.554 178.950 177.584 -0.313 0.000 1.758 407 A CA 0.113 52.079 52.037 -0.119 0.000 1.146 407 A CB -0.326 18.614 19.000 -0.101 0.000 1.056 407 A HN 0.094 nan 8.150 nan 0.000 0.539 408 Y N 1.208 121.386 120.300 -0.204 0.000 2.263 408 Y HA 0.054 4.476 4.550 -0.213 0.000 0.292 408 Y C 2.717 178.420 175.900 -0.328 0.000 1.130 408 Y CA 1.222 59.170 58.100 -0.253 0.000 1.179 408 Y CB -0.559 37.717 38.460 -0.307 0.000 0.998 408 Y HN 0.378 nan 8.280 nan 0.000 0.532 409 G N 0.267 108.838 108.800 -0.381 0.000 2.469 409 G HA2 -0.317 3.515 3.960 -0.213 0.000 0.220 409 G HA3 -0.317 3.515 3.960 -0.213 0.000 0.220 409 G C 1.497 176.390 174.900 -0.012 0.000 1.136 409 G CA 1.471 46.252 45.100 -0.532 0.000 0.759 409 G HN 0.319 nan 8.290 nan 0.000 0.562 410 N N 0.257 118.939 118.700 -0.030 0.000 2.106 410 N HA -0.080 4.533 4.740 -0.213 0.000 0.188 410 N C 2.353 177.788 175.510 -0.126 0.000 1.029 410 N CA 1.161 54.155 53.050 -0.095 0.000 0.848 410 N CB -0.661 37.761 38.487 -0.108 0.000 1.007 410 N HN 0.198 nan 8.380 nan 0.000 0.423 411 V N 1.593 121.426 119.914 -0.134 0.000 2.332 411 V HA -0.201 3.791 4.120 -0.213 0.000 0.248 411 V C 2.337 178.402 176.094 -0.049 0.000 1.055 411 V CA 1.236 63.477 62.300 -0.098 0.000 1.038 411 V CB -0.696 31.064 31.823 -0.105 0.000 0.651 411 V HN 0.273 nan 8.190 nan 0.000 0.450 412 L N -0.568 120.614 121.223 -0.068 0.000 1.970 412 L HA -0.205 4.007 4.340 -0.213 0.000 0.212 412 L C 2.340 179.227 176.870 0.028 0.000 1.071 412 L CA 2.054 56.866 54.840 -0.046 0.000 0.751 412 L CB -0.212 41.739 42.059 -0.180 0.000 0.889 412 L HN 0.246 nan 8.230 nan 0.000 0.432 413 I N -0.608 119.970 120.570 0.014 0.000 2.353 413 I HA -0.284 3.758 4.170 -0.213 0.000 0.248 413 I C 2.066 178.187 176.117 0.005 0.000 1.119 413 I CA 1.611 62.936 61.300 0.041 0.000 1.417 413 I CB -0.130 37.745 38.000 -0.207 0.000 1.078 413 I HN 0.439 nan 8.210 nan 0.000 0.421 414 D N 0.516 120.886 120.400 -0.050 0.000 2.104 414 D HA -0.165 4.347 4.640 -0.213 0.000 0.194 414 D C 2.061 178.378 176.300 0.027 0.000 0.994 414 D CA 1.770 55.749 54.000 -0.035 0.000 0.830 414 D CB -0.368 40.393 40.800 -0.065 0.000 0.959 414 D HN 0.394 nan 8.370 nan 0.000 0.452 415 G N 0.091 108.920 108.800 0.048 0.000 2.394 415 G HA2 -0.189 3.643 3.960 -0.213 0.000 0.214 415 G HA3 -0.189 3.643 3.960 -0.213 0.000 0.214 415 G C 1.591 176.575 174.900 0.140 0.000 1.176 415 G CA 0.702 45.862 45.100 0.099 0.000 0.786 415 G HN 0.326 nan 8.290 nan 0.000 0.533 416 L N 1.885 123.189 121.223 0.135 0.000 2.017 416 L HA -0.060 4.152 4.340 -0.213 0.000 0.208 416 L C 3.212 180.185 176.870 0.171 0.000 1.073 416 L CA 2.452 57.392 54.840 0.167 0.000 0.745 416 L CB -0.639 41.553 42.059 0.222 0.000 0.894 416 L HN 0.365 nan 8.230 nan 0.000 0.432 417 S N -1.717 114.071 115.700 0.147 0.000 2.399 417 S HA -0.236 4.106 4.470 -0.213 0.000 0.231 417 S C 1.828 176.502 174.600 0.123 0.000 1.022 417 S CA 1.142 59.415 58.200 0.121 0.000 0.983 417 S CB -0.546 62.704 63.200 0.083 0.000 0.803 417 S HN 0.639 nan 8.310 nan 0.000 0.480 418 Q N 0.689 120.573 119.800 0.140 0.000 2.046 418 Q HA 0.106 4.318 4.340 -0.213 0.000 0.200 418 Q C 2.329 178.548 176.000 0.365 0.000 0.975 418 Q CA 1.396 57.315 55.803 0.192 0.000 0.836 418 Q CB -0.371 28.469 28.738 0.169 0.000 0.896 418 Q HN 0.508 nan 8.270 nan 0.000 0.428 419 L N 0.605 122.042 121.223 0.357 0.000 2.201 419 L HA -0.165 4.047 4.340 -0.213 0.000 0.212 419 L C 2.276 179.259 176.870 0.189 0.000 1.105 419 L CA 0.574 55.579 54.840 0.276 0.000 0.775 419 L CB -0.209 41.931 42.059 0.136 0.000 0.913 419 L HN 0.310 nan 8.230 nan 0.000 0.440 420 L N -0.025 121.300 121.223 0.169 0.000 2.012 420 L HA -0.185 4.028 4.340 -0.213 0.000 0.210 420 L C -0.213 176.727 176.870 0.115 0.000 1.073 420 L CA 1.562 56.480 54.840 0.131 0.000 0.748 420 L CB -1.569 40.560 42.059 0.117 0.000 0.891 420 L HN 0.230 nan 8.230 nan 0.000 0.431 421 P HA -0.147 nan 4.420 nan 0.000 0.218 421 P C 1.789 179.160 177.300 0.118 0.000 1.148 421 P CA 1.175 64.345 63.100 0.117 0.000 0.822 421 P CB 0.061 31.840 31.700 0.131 0.000 0.784 422 V N -0.356 119.647 119.914 0.147 0.000 2.255 422 V HA -0.192 3.800 4.120 -0.213 0.000 0.243 422 V C 2.395 178.524 176.094 0.059 0.000 1.038 422 V CA 1.420 63.788 62.300 0.115 0.000 1.008 422 V CB -1.149 30.746 31.823 0.120 0.000 0.645 422 V HN 0.006 nan 8.190 nan 0.000 0.449 423 I N 0.103 120.705 120.570 0.052 0.000 2.229 423 I HA -0.329 3.714 4.170 -0.213 0.000 0.250 423 I C 2.520 178.655 176.117 0.030 0.000 1.096 423 I CA 1.427 62.748 61.300 0.036 0.000 1.358 423 I CB -0.338 37.694 38.000 0.054 0.000 1.047 423 I HN 0.356 nan 8.210 nan 0.000 0.422 424 Q N 0.326 120.150 119.800 0.039 0.000 2.435 424 Q HA -0.036 4.176 4.340 -0.213 0.000 0.207 424 Q C 1.514 177.525 176.000 0.017 0.000 0.956 424 Q CA 1.047 56.865 55.803 0.025 0.000 0.917 424 Q CB 0.047 28.803 28.738 0.030 0.000 0.997 424 Q HN 0.505 nan 8.270 nan 0.000 0.497 425 K N 0.126 120.538 120.400 0.019 0.000 2.402 425 K HA 0.102 4.294 4.320 -0.213 0.000 0.204 425 K C 0.479 177.073 176.600 -0.009 0.000 1.056 425 K CA 0.092 56.384 56.287 0.009 0.000 1.069 425 K CB 1.002 33.515 32.500 0.022 0.000 0.888 425 K HN 0.199 nan 8.250 nan 0.000 0.546 426 T N -0.854 113.694 114.554 -0.009 0.000 2.788 426 T HA 0.083 4.305 4.350 -0.213 0.000 0.287 426 T C 1.188 175.872 174.700 -0.027 0.000 1.007 426 T CA -0.550 61.534 62.100 -0.027 0.000 1.005 426 T CB 1.380 70.238 68.868 -0.017 0.000 1.012 426 T HN 0.127 nan 8.240 nan 0.000 0.530 427 K N 0.551 120.929 120.400 -0.037 0.000 2.283 427 K HA -0.076 4.116 4.320 -0.213 0.000 0.202 427 K C 0.358 176.947 176.600 -0.017 0.000 1.048 427 K CA 1.161 57.430 56.287 -0.030 0.000 0.948 427 K CB -0.412 32.066 32.500 -0.036 0.000 0.742 427 K HN 0.584 nan 8.250 nan 0.000 0.458 428 N N 3.060 121.754 118.700 -0.011 0.000 3.131 428 N HA 0.195 4.807 4.740 -0.213 0.000 0.312 428 N C -2.595 172.914 175.510 -0.001 0.000 1.433 428 N CA -1.570 51.477 53.050 -0.004 0.000 1.141 428 N CB 0.912 39.399 38.487 0.000 0.000 1.431 428 N HN 0.258 nan 8.380 nan 0.000 0.523 429 P HA 0.007 nan 4.420 nan 0.000 0.269 429 P C -0.202 177.093 177.300 -0.009 0.000 1.217 429 P CA 0.208 63.305 63.100 -0.004 0.000 0.783 429 P CB 1.283 32.976 31.700 -0.011 0.000 0.898 430 I N 1.648 122.210 120.570 -0.013 0.000 2.312 430 I HA 0.125 4.167 4.170 -0.213 0.000 0.290 430 I C 0.469 176.531 176.117 -0.092 0.000 1.008 430 I CA -0.732 60.546 61.300 -0.037 0.000 1.226 430 I CB 0.521 38.520 38.000 -0.003 0.000 1.371 430 I HN 0.172 nan 8.210 nan 0.000 0.468 431 D N 6.642 126.982 120.400 -0.100 0.000 2.730 431 D HA -0.088 4.424 4.640 -0.213 0.000 0.225 431 D C 1.025 177.227 176.300 -0.165 0.000 1.107 431 D CA 0.677 54.609 54.000 -0.114 0.000 0.837 431 D CB 0.897 41.634 40.800 -0.106 0.000 1.171 431 D HN 0.441 nan 8.370 nan 0.000 0.498 432 K N 1.605 121.930 120.400 -0.124 0.000 2.555 432 K HA -0.089 4.103 4.320 -0.213 0.000 0.193 432 K C 1.241 177.750 176.600 -0.152 0.000 1.032 432 K CA 0.496 56.706 56.287 -0.130 0.000 1.004 432 K CB 0.322 32.781 32.500 -0.069 0.000 0.804 432 K HN 0.526 nan 8.250 nan 0.000 0.496 433 D N 0.044 120.347 120.400 -0.161 0.000 2.338 433 D HA -0.088 4.424 4.640 -0.213 0.000 0.224 433 D C 1.259 177.418 176.300 -0.234 0.000 0.967 433 D CA 0.468 54.374 54.000 -0.155 0.000 0.896 433 D CB 0.064 40.802 40.800 -0.103 0.000 1.028 433 D HN -0.082 nan 8.370 nan 0.000 0.493 434 K N -0.236 119.993 120.400 -0.285 0.000 2.281 434 K HA -0.062 4.130 4.320 -0.213 0.000 0.203 434 K C 2.285 178.416 176.600 -0.780 0.000 1.046 434 K CA 0.967 56.995 56.287 -0.433 0.000 0.938 434 K CB -0.017 32.233 32.500 -0.417 0.000 0.737 434 K HN 0.161 nan 8.250 nan 0.000 0.458 435 M N 0.153 119.341 119.600 -0.686 0.000 2.059 435 M HA -0.203 4.149 4.480 -0.213 0.000 0.259 435 M C 2.109 177.968 176.300 -0.734 0.000 1.072 435 M CA 1.654 56.505 55.300 -0.748 0.000 1.117 435 M CB -0.939 31.361 32.600 -0.500 0.000 1.320 435 M HN 0.051 nan 8.290 nan 0.000 0.408 436 Q N 0.170 119.656 119.800 -0.524 0.000 2.366 436 Q HA -0.168 4.044 4.340 -0.213 0.000 0.214 436 Q C 1.706 177.482 176.000 -0.372 0.000 0.994 436 Q CA 2.207 57.788 55.803 -0.370 0.000 0.909 436 Q CB -0.673 27.997 28.738 -0.114 0.000 0.918 436 Q HN 0.535 nan 8.270 nan 0.000 0.436 437 T N -0.499 113.773 114.554 -0.469 0.000 2.833 437 T HA -0.144 4.078 4.350 -0.213 0.000 0.269 437 T C 1.546 175.637 174.700 -1.014 0.000 1.054 437 T CA 1.383 63.157 62.100 -0.544 0.000 1.135 437 T CB -0.130 68.505 68.868 -0.388 0.000 0.869 437 T HN 0.348 nan 8.240 nan 0.000 0.466 438 M N -0.016 118.921 119.600 -1.105 0.000 2.132 438 M HA -0.052 4.300 4.480 -0.213 0.000 0.263 438 M C 1.959 177.996 176.300 -0.439 0.000 1.065 438 M CA 1.613 56.251 55.300 -1.104 0.000 1.122 438 M CB -0.446 31.722 32.600 -0.719 0.000 1.365 438 M HN 0.302 nan 8.290 nan 0.000 0.411 439 Y N -1.267 118.904 120.300 -0.216 0.000 2.293 439 Y HA -0.199 4.223 4.550 -0.213 0.000 0.291 439 Y C 2.555 178.447 175.900 -0.014 0.000 1.137 439 Y CA 1.062 59.115 58.100 -0.078 0.000 1.202 439 Y CB -1.462 36.953 38.460 -0.075 0.000 0.990 439 Y HN 0.384 nan 8.280 nan 0.000 0.537 440 H N -0.562 118.487 119.070 -0.035 0.000 2.363 440 H HA -0.166 4.262 4.556 -0.213 0.000 0.301 440 H C 1.473 176.834 175.328 0.055 0.000 1.074 440 H CA 1.771 57.818 56.048 -0.002 0.000 1.354 440 H CB -0.336 29.404 29.762 -0.037 0.000 1.397 440 H HN 0.265 nan 8.280 nan 0.000 0.516 441 W N 1.304 122.595 121.300 -0.014 0.000 2.302 441 W HA -0.191 4.341 4.660 -0.214 0.000 0.320 441 W C 2.791 179.311 176.519 0.001 0.000 1.241 441 W CA 0.626 57.809 57.345 -0.271 0.000 1.264 441 W CB -1.344 27.860 29.460 -0.427 0.000 1.154 441 W HN 0.214 nan 8.180 nan 0.000 0.483 442 I N 0.279 121.082 120.570 0.388 0.000 2.099 442 I HA -0.320 3.722 4.170 -0.213 0.000 0.239 442 I C 2.182 178.400 176.117 0.169 0.000 1.066 442 I CA 1.932 63.435 61.300 0.339 0.000 1.324 442 I CB -0.676 37.453 38.000 0.216 0.000 1.037 442 I HN -0.110 nan 8.210 nan 0.000 0.401 443 D N 0.524 120.963 120.400 0.064 0.000 2.149 443 D HA -0.128 4.384 4.640 -0.213 0.000 0.201 443 D C 2.133 178.379 176.300 -0.090 0.000 0.972 443 D CA 1.039 55.022 54.000 -0.029 0.000 0.835 443 D CB -0.179 40.592 40.800 -0.048 0.000 0.966 443 D HN 0.277 nan 8.370 nan 0.000 0.476 444 K N 0.320 120.630 120.400 -0.151 0.000 2.137 444 K HA 0.099 4.292 4.320 -0.213 0.000 0.202 444 K C 2.052 178.696 176.600 0.072 0.000 1.052 444 K CA 0.478 56.668 56.287 -0.162 0.000 0.961 444 K CB 0.379 32.575 32.500 -0.507 0.000 0.741 444 K HN -0.043 nan 8.250 nan 0.000 0.452 445 S N -0.344 115.370 115.700 0.024 0.000 2.591 445 S HA 0.128 4.470 4.470 -0.213 0.000 0.235 445 S C 1.636 176.138 174.600 -0.162 0.000 1.074 445 S CA 0.136 58.299 58.200 -0.062 0.000 0.925 445 S CB -0.042 62.996 63.200 -0.269 0.000 0.818 445 S HN 0.072 nan 8.310 nan 0.000 0.535 446 F N 2.184 122.166 119.950 0.054 0.000 2.164 446 F HA 0.329 4.728 4.527 -0.212 0.000 0.287 446 F C 2.656 178.434 175.800 -0.037 0.000 1.086 446 F CA 0.585 58.587 58.000 0.002 0.000 1.249 446 F CB -1.150 37.857 39.000 0.012 0.000 1.059 446 F HN 0.150 nan 8.300 nan 0.000 0.490 447 A N 0.861 123.764 122.820 0.137 0.000 1.915 447 A HA -0.213 3.979 4.320 -0.213 0.000 0.220 447 A C -0.225 177.265 177.584 -0.156 0.000 1.198 447 A CA 2.233 54.254 52.037 -0.027 0.000 0.647 447 A CB -2.191 16.762 19.000 -0.079 0.000 0.825 447 A HN 0.261 nan 8.150 nan 0.000 0.456 448 P HA -0.092 nan 4.420 nan 0.000 0.221 448 P C 0.995 178.322 177.300 0.044 0.000 1.145 448 P CA 0.798 63.715 63.100 -0.304 0.000 0.795 448 P CB -0.087 31.539 31.700 -0.123 0.000 0.775 449 L N -2.111 119.137 121.223 0.042 0.000 2.591 449 L HA 0.093 4.305 4.340 -0.213 0.000 0.228 449 L C 0.676 177.495 176.870 -0.085 0.000 1.133 449 L CA 0.094 54.936 54.840 0.003 0.000 0.880 449 L CB -0.195 41.855 42.059 -0.014 0.000 1.033 449 L HN -0.042 nan 8.230 nan 0.000 0.450 450 L N 0.806 121.985 121.223 -0.073 0.000 2.294 450 L HA 0.421 4.633 4.340 -0.213 0.000 0.283 450 L C -0.924 175.861 176.870 -0.142 0.000 1.015 450 L CA -0.401 54.371 54.840 -0.113 0.000 0.831 450 L CB 1.892 43.910 42.059 -0.068 0.000 1.217 450 L HN -0.242 nan 8.230 nan 0.000 0.420 451 V N 3.343 123.126 119.914 -0.219 0.000 2.443 451 V HA 0.307 4.299 4.120 -0.213 0.000 0.293 451 V C 0.132 176.177 176.094 -0.082 0.000 1.021 451 V CA -0.779 61.403 62.300 -0.196 0.000 0.848 451 V CB 1.415 33.088 31.823 -0.250 0.000 0.998 451 V HN 0.838 nan 8.190 nan 0.000 0.424 452 N N 4.014 122.712 118.700 -0.003 0.000 2.710 452 N HA -0.225 4.388 4.740 -0.213 0.000 0.249 452 N C 1.169 176.800 175.510 0.202 0.000 1.059 452 N CA 1.613 54.737 53.050 0.123 0.000 0.720 452 N CB -0.917 37.695 38.487 0.208 0.000 0.983 452 N HN 1.567 nan 8.380 nan 0.000 0.544 453 G N -0.657 108.203 108.800 0.099 0.000 2.157 453 G HA2 -0.317 3.515 3.960 -0.213 0.000 0.248 453 G HA3 -0.317 3.515 3.960 -0.213 0.000 0.248 453 G C -0.268 174.649 174.900 0.029 0.000 0.979 453 G CA 0.506 45.700 45.100 0.158 0.000 0.650 453 G HN 0.671 nan 8.290 nan 0.000 0.529 454 E N -0.113 119.956 120.200 -0.218 0.000 2.176 454 E HA 0.614 4.836 4.350 -0.213 0.000 0.267 454 E C -0.473 175.935 176.600 -0.320 0.000 0.893 454 E CA -1.092 55.006 56.400 -0.502 0.000 0.761 454 E CB 1.008 30.310 29.700 -0.663 0.000 1.133 454 E HN 0.218 nan 8.360 nan 0.000 0.409 455 L N 5.520 126.599 121.223 -0.240 0.000 2.281 455 L HA 0.332 4.544 4.340 -0.213 0.000 0.285 455 L C -0.307 176.445 176.870 -0.197 0.000 1.074 455 L CA 0.035 54.768 54.840 -0.177 0.000 0.817 455 L CB 0.713 42.710 42.059 -0.103 0.000 1.168 455 L HN 0.746 nan 8.230 nan 0.000 0.434 456 M N 4.339 123.786 119.600 -0.255 0.000 2.284 456 M HA -0.028 4.324 4.480 -0.213 0.000 0.351 456 M C 0.784 176.929 176.300 -0.259 0.000 1.443 456 M CA 0.105 55.229 55.300 -0.293 0.000 1.031 456 M CB 0.248 32.672 32.600 -0.294 0.000 1.893 456 M HN 0.584 nan 8.290 nan 0.000 0.456 457 D N 3.076 123.297 120.400 -0.298 0.000 2.263 457 D HA -0.150 4.363 4.640 -0.213 0.000 0.208 457 D C 1.819 178.015 176.300 -0.174 0.000 0.971 457 D CA 1.287 55.214 54.000 -0.122 0.000 0.867 457 D CB -0.087 40.875 40.800 0.270 0.000 0.929 457 D HN 0.713 nan 8.370 nan 0.000 0.492 458 M N -0.237 119.159 119.600 -0.340 0.000 2.557 458 M HA -0.009 4.344 4.480 -0.213 0.000 0.259 458 M C 1.559 177.765 176.300 -0.158 0.000 1.086 458 M CA 1.231 56.427 55.300 -0.173 0.000 1.096 458 M CB 0.120 32.624 32.600 -0.159 0.000 1.424 458 M HN -0.089 nan 8.290 nan 0.000 0.488 459 S N 0.027 115.622 115.700 -0.174 0.000 2.539 459 S HA 0.253 4.595 4.470 -0.213 0.000 0.221 459 S C 1.389 175.927 174.600 -0.105 0.000 0.987 459 S CA -0.747 57.361 58.200 -0.153 0.000 0.929 459 S CB 0.109 63.221 63.200 -0.147 0.000 0.832 459 S HN 0.681 nan 8.310 nan 0.000 0.492 460 R N 0.909 121.339 120.500 -0.118 0.000 2.397 460 R HA 0.378 4.590 4.340 -0.213 0.000 0.241 460 R C 1.631 177.899 176.300 -0.052 0.000 0.914 460 R CA 0.256 56.337 56.100 -0.032 0.000 1.071 460 R CB 0.119 30.392 30.300 -0.046 0.000 1.116 460 R HN 0.458 nan 8.270 nan 0.000 0.524 461 G N 3.102 111.710 108.800 -0.320 0.000 2.622 461 G HA2 -0.452 3.380 3.960 -0.213 0.000 0.307 461 G HA3 -0.452 3.380 3.960 -0.213 0.000 0.307 461 G C 0.700 175.511 174.900 -0.148 0.000 1.226 461 G CA 0.730 45.553 45.100 -0.463 0.000 0.997 461 G HN 0.492 nan 8.290 nan 0.000 0.551 462 R N 0.219 120.745 120.500 0.044 0.000 2.299 462 R HA 0.332 4.544 4.340 -0.213 0.000 0.197 462 R C 2.192 178.485 176.300 -0.012 0.000 0.971 462 R CA 1.562 57.674 56.100 0.021 0.000 1.030 462 R CB -0.218 30.144 30.300 0.104 0.000 0.932 462 R HN 0.309 nan 8.270 nan 0.000 0.477 463 S N 2.076 117.778 115.700 0.002 0.000 2.474 463 S HA -0.044 4.298 4.470 -0.213 0.000 0.235 463 S C 1.897 176.459 174.600 -0.063 0.000 0.997 463 S CA 1.059 59.241 58.200 -0.031 0.000 0.949 463 S CB -0.343 62.836 63.200 -0.036 0.000 0.766 463 S HN 0.580 nan 8.310 nan 0.000 0.517 464 I N 1.077 121.543 120.570 -0.173 0.000 2.530 464 I HA -0.109 3.933 4.170 -0.213 0.000 0.257 464 I C 1.817 177.837 176.117 -0.160 0.000 1.179 464 I CA 1.580 62.668 61.300 -0.352 0.000 1.440 464 I CB -0.520 36.893 38.000 -0.979 0.000 1.087 464 I HN 0.291 nan 8.210 nan 0.000 0.440 465 S N 0.628 116.302 115.700 -0.042 0.000 2.634 465 S HA 0.232 4.574 4.470 -0.213 0.000 0.221 465 S C 0.668 175.492 174.600 0.374 0.000 0.952 465 S CA -0.662 57.656 58.200 0.196 0.000 0.930 465 S CB -0.275 62.959 63.200 0.056 0.000 0.780 465 S HN 0.510 nan 8.310 nan 0.000 0.498 466 R N 0.670 121.268 120.500 0.164 0.000 2.265 466 R HA 0.603 4.815 4.340 -0.213 0.000 0.328 466 R C 1.217 177.131 176.300 -0.644 0.000 0.969 466 R CA 0.136 56.152 56.100 -0.140 0.000 0.832 466 R CB 1.126 31.360 30.300 -0.111 0.000 1.139 466 R HN 0.257 nan 8.270 nan 0.000 0.457 467 A N 3.448 125.391 122.820 -1.461 0.000 1.986 467 A HA -0.279 3.913 4.320 -0.213 0.000 0.220 467 A C 1.599 178.791 177.584 -0.653 0.000 1.171 467 A CA 2.150 53.099 52.037 -1.813 0.000 0.640 467 A CB -0.621 17.307 19.000 -1.786 0.000 0.811 467 A HN 0.950 nan 8.150 nan 0.000 0.451 468 N N -2.004 116.456 118.700 -0.399 0.000 2.336 468 N HA 0.062 4.675 4.740 -0.213 0.000 0.189 468 N C 0.062 175.499 175.510 -0.122 0.000 1.113 468 N CA 0.785 53.718 53.050 -0.195 0.000 0.858 468 N CB 0.285 38.680 38.487 -0.153 0.000 0.970 468 N HN 0.133 nan 8.380 nan 0.000 0.471 469 S N -0.085 115.538 115.700 -0.127 0.000 2.617 469 S HA 0.153 4.495 4.470 -0.213 0.000 0.237 469 S C -0.563 174.033 174.600 -0.006 0.000 1.142 469 S CA -0.751 57.405 58.200 -0.074 0.000 1.167 469 S CB 0.121 63.274 63.200 -0.078 0.000 1.068 469 S HN 0.292 nan 8.310 nan 0.000 0.470 470 E N 0.847 121.076 120.200 0.049 0.000 2.428 470 E HA 0.152 4.374 4.350 -0.213 0.000 0.257 470 E C 1.572 178.227 176.600 0.092 0.000 1.197 470 E CA 0.086 56.598 56.400 0.186 0.000 0.974 470 E CB 0.291 30.175 29.700 0.306 0.000 0.976 470 E HN 0.397 nan 8.360 nan 0.000 0.463 471 G N 0.533 109.419 108.800 0.143 0.000 2.469 471 G HA2 -0.280 3.552 3.960 -0.213 0.000 0.220 471 G HA3 -0.280 3.552 3.960 -0.213 0.000 0.220 471 G C 1.051 175.860 174.900 -0.152 0.000 1.136 471 G CA 0.857 45.951 45.100 -0.010 0.000 0.759 471 G HN 0.561 nan 8.290 nan 0.000 0.562 472 H N -0.482 118.539 119.070 -0.082 0.000 2.482 472 H HA 0.067 4.495 4.556 -0.213 0.000 0.286 472 H C 2.745 177.715 175.328 -0.598 0.000 1.017 472 H CA 0.979 56.880 56.048 -0.245 0.000 1.322 472 H CB 0.158 29.836 29.762 -0.139 0.000 1.426 472 H HN 0.259 nan 8.280 nan 0.000 0.546 473 V N 1.233 120.818 119.914 -0.548 0.000 2.307 473 V HA -0.181 3.811 4.120 -0.213 0.000 0.245 473 V C 2.884 178.879 176.094 -0.165 0.000 1.045 473 V CA 1.448 63.489 62.300 -0.430 0.000 1.024 473 V CB -0.969 30.712 31.823 -0.236 0.000 0.651 473 V HN 0.397 nan 8.190 nan 0.000 0.449 474 A N 0.465 123.208 122.820 -0.128 0.000 1.908 474 A HA -0.151 4.041 4.320 -0.213 0.000 0.218 474 A C 2.465 179.996 177.584 -0.088 0.000 1.181 474 A CA 2.196 54.178 52.037 -0.092 0.000 0.627 474 A CB -0.953 18.004 19.000 -0.072 0.000 0.818 474 A HN 0.607 nan 8.150 nan 0.000 0.445 475 A N -0.561 122.201 122.820 -0.096 0.000 1.997 475 A HA -0.096 4.096 4.320 -0.213 0.000 0.221 475 A C 2.146 179.694 177.584 -0.059 0.000 1.172 475 A CA 2.035 54.026 52.037 -0.077 0.000 0.645 475 A CB -0.906 18.047 19.000 -0.078 0.000 0.813 475 A HN 0.505 nan 8.150 nan 0.000 0.454 476 V N -0.398 119.492 119.914 -0.040 0.000 2.667 476 V HA -0.201 3.792 4.120 -0.213 0.000 0.252 476 V C 2.234 178.298 176.094 -0.050 0.000 1.065 476 V CA 1.850 64.140 62.300 -0.015 0.000 1.083 476 V CB -0.762 31.090 31.823 0.048 0.000 0.692 476 V HN 0.623 nan 8.190 nan 0.000 0.468 477 E N 0.192 120.350 120.200 -0.070 0.000 2.058 477 E HA -0.190 4.032 4.350 -0.213 0.000 0.194 477 E C 2.279 178.801 176.600 -0.130 0.000 0.997 477 E CA 1.656 58.001 56.400 -0.093 0.000 0.801 477 E CB -0.187 29.452 29.700 -0.102 0.000 0.746 477 E HN 0.454 nan 8.360 nan 0.000 0.450 478 V N 1.350 121.167 119.914 -0.162 0.000 2.307 478 V HA -0.245 3.748 4.120 -0.213 0.000 0.245 478 V C 2.298 178.281 176.094 -0.186 0.000 1.045 478 V CA 1.412 63.554 62.300 -0.264 0.000 1.024 478 V CB -0.411 31.257 31.823 -0.258 0.000 0.651 478 V HN 0.269 nan 8.190 nan 0.000 0.449 479 L N 0.458 121.618 121.223 -0.105 0.000 2.046 479 L HA -0.175 4.037 4.340 -0.213 0.000 0.208 479 L C 2.840 179.696 176.870 -0.024 0.000 1.077 479 L CA 2.083 56.889 54.840 -0.057 0.000 0.747 479 L CB -0.748 41.292 42.059 -0.032 0.000 0.896 479 L HN 0.435 nan 8.230 nan 0.000 0.432 480 R N 0.429 120.906 120.500 -0.039 0.000 2.148 480 R HA -0.057 4.155 4.340 -0.213 0.000 0.227 480 R C 2.135 178.427 176.300 -0.013 0.000 1.103 480 R CA 1.252 57.337 56.100 -0.025 0.000 0.983 480 R CB -0.944 29.322 30.300 -0.056 0.000 0.874 480 R HN 0.249 nan 8.270 nan 0.000 0.451 481 G N 2.094 110.863 108.800 -0.052 0.000 2.418 481 G HA2 -0.186 3.646 3.960 -0.213 0.000 0.217 481 G HA3 -0.186 3.646 3.960 -0.213 0.000 0.217 481 G C 1.543 176.437 174.900 -0.010 0.000 1.158 481 G CA 0.888 45.959 45.100 -0.048 0.000 0.771 481 G HN 0.250 nan 8.290 nan 0.000 0.545 482 I N -0.412 120.141 120.570 -0.028 0.000 2.315 482 I HA -0.127 3.915 4.170 -0.213 0.000 0.248 482 I C 2.493 178.631 176.117 0.036 0.000 1.117 482 I CA 0.913 62.212 61.300 -0.002 0.000 1.404 482 I CB -0.317 37.664 38.000 -0.031 0.000 1.071 482 I HN 0.164 nan 8.210 nan 0.000 0.419 483 H N 1.681 120.731 119.070 -0.033 0.000 2.462 483 H HA 0.020 4.448 4.556 -0.213 0.000 0.292 483 H C 2.270 177.588 175.328 -0.017 0.000 1.049 483 H CA 1.193 57.223 56.048 -0.030 0.000 1.334 483 H CB 0.228 29.962 29.762 -0.047 0.000 1.404 483 H HN 0.257 nan 8.280 nan 0.000 0.544 484 R N -0.289 120.297 120.500 0.144 0.000 2.073 484 R HA -0.046 4.167 4.340 -0.213 0.000 0.229 484 R C 2.464 178.820 176.300 0.093 0.000 1.120 484 R CA 1.040 57.198 56.100 0.097 0.000 0.967 484 R CB 0.136 30.472 30.300 0.060 0.000 0.862 484 R HN 0.220 nan 8.270 nan 0.000 0.436 485 I N 1.137 121.761 120.570 0.091 0.000 2.127 485 I HA -0.281 3.761 4.170 -0.213 0.000 0.241 485 I C 2.597 178.783 176.117 0.115 0.000 1.075 485 I CA 1.618 62.985 61.300 0.112 0.000 1.334 485 I CB -1.337 36.745 38.000 0.136 0.000 1.040 485 I HN 0.175 nan 8.210 nan 0.000 0.405 486 A N 0.775 123.632 122.820 0.063 0.000 1.927 486 A HA -0.332 3.860 4.320 -0.213 0.000 0.220 486 A C 2.080 179.675 177.584 0.018 0.000 1.185 486 A CA 2.607 54.641 52.037 -0.006 0.000 0.639 486 A CB -0.978 17.947 19.000 -0.125 0.000 0.820 486 A HN 0.492 nan 8.150 nan 0.000 0.451 487 D N -0.696 119.742 120.400 0.064 0.000 2.224 487 D HA -0.100 4.412 4.640 -0.213 0.000 0.205 487 D C 1.939 178.271 176.300 0.054 0.000 0.965 487 D CA 1.455 55.496 54.000 0.067 0.000 0.852 487 D CB -0.171 40.682 40.800 0.088 0.000 0.947 487 D HN 0.629 nan 8.370 nan 0.000 0.494 488 M N -1.484 118.153 119.600 0.063 0.000 2.428 488 M HA 0.274 4.626 4.480 -0.213 0.000 0.239 488 M C 0.096 176.432 176.300 0.060 0.000 1.121 488 M CA -0.168 55.167 55.300 0.059 0.000 1.019 488 M CB 0.724 33.363 32.600 0.065 0.000 1.485 488 M HN -0.280 nan 8.290 nan 0.000 0.484 489 S N 1.786 117.523 115.700 0.063 0.000 2.666 489 S HA 0.494 4.836 4.470 -0.213 0.000 0.279 489 S C -0.013 174.593 174.600 0.010 0.000 1.149 489 S CA -0.754 57.478 58.200 0.054 0.000 1.020 489 S CB 0.951 64.171 63.200 0.032 0.000 1.127 489 S HN 0.571 nan 8.310 nan 0.000 0.537 490 E N -0.644 119.547 120.200 -0.014 0.000 2.442 490 E HA 0.539 4.761 4.350 -0.213 0.000 0.271 490 E C 0.648 177.221 176.600 -0.046 0.000 1.002 490 E CA -0.338 56.048 56.400 -0.023 0.000 0.864 490 E CB 0.118 29.812 29.700 -0.010 0.000 1.573 490 E HN 0.765 nan 8.360 nan 0.000 0.456 491 G N 1.585 110.362 108.800 -0.038 0.000 2.698 491 G HA2 -0.483 3.349 3.960 -0.213 0.000 0.346 491 G HA3 -0.483 3.349 3.960 -0.213 0.000 0.346 491 G C 0.933 175.795 174.900 -0.063 0.000 1.287 491 G CA 1.351 46.425 45.100 -0.044 0.000 0.990 491 G HN 0.681 nan 8.290 nan 0.000 0.545 492 E N -0.541 119.616 120.200 -0.072 0.000 2.106 492 E HA -0.031 4.191 4.350 -0.213 0.000 0.192 492 E C 2.915 179.438 176.600 -0.128 0.000 0.984 492 E CA 2.171 58.520 56.400 -0.085 0.000 0.806 492 E CB -0.221 29.434 29.700 -0.074 0.000 0.750 492 E HN 0.655 nan 8.360 nan 0.000 0.458 493 T N -0.621 113.829 114.554 -0.175 0.000 2.821 493 T HA -0.169 4.054 4.350 -0.213 0.000 0.267 493 T C 1.881 176.431 174.700 -0.250 0.000 1.046 493 T CA 1.443 63.367 62.100 -0.294 0.000 1.139 493 T CB -0.173 68.358 68.868 -0.561 0.000 0.871 493 T HN 0.044 nan 8.240 nan 0.000 0.454 494 K N 0.137 120.437 120.400 -0.167 0.000 2.074 494 K HA -0.196 3.996 4.320 -0.213 0.000 0.209 494 K C 2.679 179.206 176.600 -0.121 0.000 1.048 494 K CA 1.607 57.822 56.287 -0.119 0.000 0.926 494 K CB -0.207 32.251 32.500 -0.069 0.000 0.713 494 K HN 0.429 nan 8.250 nan 0.000 0.444 495 Q N 0.394 120.131 119.800 -0.105 0.000 2.083 495 Q HA -0.173 4.039 4.340 -0.213 0.000 0.198 495 Q C 2.235 178.175 176.000 -0.101 0.000 0.969 495 Q CA 1.547 57.296 55.803 -0.090 0.000 0.838 495 Q CB -0.042 28.656 28.738 -0.066 0.000 0.900 495 Q HN 0.381 nan 8.270 nan 0.000 0.436 496 R N 0.100 120.532 120.500 -0.112 0.000 2.096 496 R HA -0.116 4.096 4.340 -0.213 0.000 0.235 496 R C 2.053 178.282 176.300 -0.117 0.000 1.127 496 R CA 1.279 57.315 56.100 -0.108 0.000 0.968 496 R CB -0.309 29.922 30.300 -0.115 0.000 0.861 496 R HN 0.226 nan 8.270 nan 0.000 0.440 497 L N 0.283 121.420 121.223 -0.144 0.000 2.162 497 L HA -0.012 4.200 4.340 -0.213 0.000 0.205 497 L C 2.680 179.436 176.870 -0.189 0.000 1.086 497 L CA 0.907 55.662 54.840 -0.142 0.000 0.778 497 L CB -0.407 41.573 42.059 -0.131 0.000 0.928 497 L HN 0.300 nan 8.230 nan 0.000 0.446 498 Q N -0.324 119.340 119.800 -0.226 0.000 2.112 498 Q HA -0.199 4.013 4.340 -0.213 0.000 0.206 498 Q C 2.376 178.273 176.000 -0.172 0.000 0.987 498 Q CA 1.905 57.534 55.803 -0.291 0.000 0.858 498 Q CB -0.076 28.533 28.738 -0.216 0.000 0.905 498 Q HN 0.394 nan 8.270 nan 0.000 0.420 499 S N 0.542 116.174 115.700 -0.114 0.000 2.395 499 S HA -0.078 4.264 4.470 -0.213 0.000 0.225 499 S C 1.740 176.304 174.600 -0.060 0.000 1.027 499 S CA 0.492 58.650 58.200 -0.070 0.000 0.965 499 S CB -0.120 63.046 63.200 -0.055 0.000 0.812 499 S HN 0.251 nan 8.310 nan 0.000 0.482 500 L N 2.130 123.309 121.223 -0.072 0.000 2.017 500 L HA -0.036 4.177 4.340 -0.213 0.000 0.208 500 L C 2.121 178.959 176.870 -0.053 0.000 1.073 500 L CA 1.758 56.563 54.840 -0.058 0.000 0.745 500 L CB -0.875 41.147 42.059 -0.062 0.000 0.894 500 L HN 0.124 nan 8.230 nan 0.000 0.432 501 V N 0.121 119.992 119.914 -0.072 0.000 2.295 501 V HA -0.308 3.684 4.120 -0.213 0.000 0.246 501 V C 2.675 178.758 176.094 -0.019 0.000 1.049 501 V CA 2.200 64.472 62.300 -0.047 0.000 1.024 501 V CB -0.819 30.969 31.823 -0.059 0.000 0.648 501 V HN 0.565 nan 8.190 nan 0.000 0.447 502 K N -0.235 120.150 120.400 -0.025 0.000 1.985 502 K HA -0.231 3.962 4.320 -0.213 0.000 0.210 502 K C 2.392 178.994 176.600 0.003 0.000 1.047 502 K CA 2.124 58.411 56.287 -0.001 0.000 0.932 502 K CB -0.553 31.944 32.500 -0.005 0.000 0.716 502 K HN 0.416 nan 8.250 nan 0.000 0.439 503 T N 0.735 115.287 114.554 -0.004 0.000 2.759 503 T HA -0.133 4.089 4.350 -0.213 0.000 0.269 503 T C 1.841 176.547 174.700 0.009 0.000 1.042 503 T CA 1.645 63.749 62.100 0.006 0.000 1.140 503 T CB -0.204 68.665 68.868 0.001 0.000 0.864 503 T HN 0.265 nan 8.240 nan 0.000 0.455 504 I N 0.371 120.940 120.570 -0.002 0.000 2.142 504 I HA -0.133 3.909 4.170 -0.213 0.000 0.240 504 I C 2.523 178.660 176.117 0.033 0.000 1.078 504 I CA 0.948 62.252 61.300 0.006 0.000 1.343 504 I CB -0.358 37.636 38.000 -0.010 0.000 1.046 504 I HN 0.119 nan 8.210 nan 0.000 0.405 505 V N 0.340 120.268 119.914 0.023 0.000 2.332 505 V HA -0.321 3.671 4.120 -0.213 0.000 0.248 505 V C 2.377 178.496 176.094 0.041 0.000 1.055 505 V CA 1.901 64.217 62.300 0.026 0.000 1.038 505 V CB -0.703 31.108 31.823 -0.020 0.000 0.651 505 V HN 0.491 nan 8.190 nan 0.000 0.450 506 Q N 0.077 119.900 119.800 0.038 0.000 2.230 506 Q HA -0.120 4.092 4.340 -0.213 0.000 0.202 506 Q C 2.370 178.407 176.000 0.062 0.000 0.963 506 Q CA 1.536 57.367 55.803 0.046 0.000 0.866 506 Q CB -0.216 28.546 28.738 0.039 0.000 0.931 506 Q HN 0.812 nan 8.270 nan 0.000 0.452 507 S N 0.353 116.094 115.700 0.068 0.000 2.507 507 S HA -0.104 4.238 4.470 -0.213 0.000 0.235 507 S C 0.611 175.282 174.600 0.120 0.000 0.988 507 S CA 0.527 58.781 58.200 0.090 0.000 0.944 507 S CB 0.072 63.322 63.200 0.083 0.000 0.762 507 S HN 0.119 nan 8.310 nan 0.000 0.526 508 D N 2.126 122.600 120.400 0.124 0.000 2.456 508 D HA 0.313 4.825 4.640 -0.213 0.000 0.219 508 D C 0.703 177.075 176.300 0.121 0.000 1.126 508 D CA -0.101 54.000 54.000 0.168 0.000 0.890 508 D CB 1.265 42.192 40.800 0.212 0.000 1.025 508 D HN 0.338 nan 8.370 nan 0.000 0.511 509 S N 2.669 118.446 115.700 0.128 0.000 2.593 509 S HA -0.083 4.259 4.470 -0.213 0.000 0.217 509 S C 1.439 176.101 174.600 0.103 0.000 0.966 509 S CA -0.185 58.074 58.200 0.099 0.000 0.914 509 S CB -0.149 63.112 63.200 0.102 0.000 0.776 509 S HN 0.569 nan 8.310 nan 0.000 0.523 510 Y N 1.063 121.347 120.300 -0.026 0.000 2.396 510 Y HA 0.411 4.833 4.550 -0.213 0.000 0.292 510 Y C 0.158 176.037 175.900 -0.036 0.000 1.128 510 Y CA -0.517 57.539 58.100 -0.073 0.000 1.194 510 Y CB 0.224 38.566 38.460 -0.195 0.000 1.124 510 Y HN 0.295 nan 8.280 nan 0.000 0.543 511 Y N 1.504 121.566 120.300 -0.396 0.000 2.409 511 Y HA 0.385 4.807 4.550 -0.213 0.000 0.343 511 Y C -1.220 174.603 175.900 -0.127 0.000 0.973 511 Y CA -1.885 56.002 58.100 -0.354 0.000 1.064 511 Y CB 0.971 39.306 38.460 -0.208 0.000 1.207 511 Y HN 0.028 nan 8.280 nan 0.000 0.452 512 D N 4.967 124.895 120.400 -0.787 0.000 2.380 512 D HA 0.047 4.559 4.640 -0.213 0.000 0.230 512 D C 0.939 176.885 176.300 -0.590 0.000 1.154 512 D CA 0.208 53.933 54.000 -0.459 0.000 0.859 512 D CB 1.428 42.042 40.800 -0.310 0.000 1.045 512 D HN 0.561 nan 8.370 nan 0.000 0.495 513 V N 5.002 124.742 119.914 -0.289 0.000 2.439 513 V HA -0.283 3.709 4.120 -0.213 0.000 0.253 513 V C 1.611 177.571 176.094 -0.222 0.000 1.074 513 V CA 1.818 64.002 62.300 -0.193 0.000 1.076 513 V CB -0.684 30.969 31.823 -0.284 0.000 0.664 513 V HN 0.567 nan 8.190 nan 0.000 0.461 514 F N 0.385 120.265 119.950 -0.116 0.000 2.451 514 F HA -0.026 4.373 4.527 -0.214 0.000 0.299 514 F C 2.273 178.026 175.800 -0.078 0.000 1.101 514 F CA 1.425 59.377 58.000 -0.080 0.000 1.436 514 F CB -0.386 38.566 39.000 -0.080 0.000 1.074 514 F HN 0.163 nan 8.300 nan 0.000 0.553 515 K N -0.552 119.845 120.400 -0.005 0.000 2.365 515 K HA -0.101 4.092 4.320 -0.213 0.000 0.199 515 K C 0.934 177.594 176.600 0.100 0.000 1.045 515 K CA 0.771 57.055 56.287 -0.005 0.000 0.962 515 K CB -0.136 32.270 32.500 -0.155 0.000 0.759 515 K HN 0.030 nan 8.250 nan 0.000 0.469 516 N N 0.679 119.467 118.700 0.145 0.000 2.328 516 N HA 0.141 4.753 4.740 -0.213 0.000 0.247 516 N C -1.248 174.285 175.510 0.040 0.000 1.165 516 N CA -0.024 53.095 53.050 0.115 0.000 0.873 516 N CB 0.400 38.981 38.487 0.156 0.000 1.125 516 N HN -0.017 nan 8.380 nan 0.000 0.513 517 L N 1.166 122.410 121.223 0.035 0.000 2.295 517 L HA 0.415 4.627 4.340 -0.213 0.000 0.281 517 L C 0.560 177.434 176.870 0.007 0.000 1.018 517 L CA -0.439 54.405 54.840 0.007 0.000 0.841 517 L CB 1.309 43.376 42.059 0.013 0.000 1.218 517 L HN -0.154 nan 8.230 nan 0.000 0.424 518 K N 1.493 121.866 120.400 -0.045 0.000 2.455 518 K HA 0.221 4.413 4.320 -0.213 0.000 0.206 518 K C 0.262 176.760 176.600 -0.170 0.000 1.027 518 K CA -0.027 56.211 56.287 -0.083 0.000 1.113 518 K CB 0.900 33.352 32.500 -0.080 0.000 0.850 518 K HN 0.628 nan 8.250 nan 0.000 0.503 519 T N -3.394 111.055 114.554 -0.175 0.000 2.900 519 T HA 0.352 4.575 4.350 -0.213 0.000 0.303 519 T C 0.653 175.253 174.700 -0.168 0.000 1.142 519 T CA -0.670 61.264 62.100 -0.277 0.000 1.007 519 T CB 0.820 69.571 68.868 -0.195 0.000 1.156 519 T HN -0.078 nan 8.240 nan 0.000 0.490 520 Y N 1.152 121.499 120.300 0.078 0.000 2.256 520 Y HA 0.054 4.474 4.550 -0.216 0.000 0.288 520 Y C 2.546 178.461 175.900 0.024 0.000 1.155 520 Y CA 1.205 59.370 58.100 0.109 0.000 1.203 520 Y CB -0.379 38.214 38.460 0.222 0.000 0.980 520 Y HN 0.685 nan 8.280 nan 0.000 0.530 521 K N -0.010 120.434 120.400 0.073 0.000 2.186 521 K HA -0.104 4.088 4.320 -0.213 0.000 0.202 521 K C 1.411 177.920 176.600 -0.153 0.000 1.052 521 K CA 0.967 57.147 56.287 -0.179 0.000 0.965 521 K CB 0.036 32.386 32.500 -0.251 0.000 0.746 521 K HN 0.166 nan 8.250 nan 0.000 0.457 522 D N 1.116 121.458 120.400 -0.096 0.000 2.123 522 D HA -0.176 4.336 4.640 -0.213 0.000 0.196 522 D C 1.899 178.156 176.300 -0.071 0.000 0.992 522 D CA 1.159 55.094 54.000 -0.108 0.000 0.833 522 D CB -0.085 40.663 40.800 -0.086 0.000 0.954 522 D HN 0.267 nan 8.370 nan 0.000 0.455 523 I N 0.712 121.304 120.570 0.037 0.000 2.179 523 I HA -0.272 3.770 4.170 -0.213 0.000 0.242 523 I C 2.633 178.809 176.117 0.098 0.000 1.088 523 I CA 0.958 62.354 61.300 0.160 0.000 1.357 523 I CB -0.203 37.925 38.000 0.213 0.000 1.051 523 I HN -0.050 nan 8.210 nan 0.000 0.409 524 S N 0.987 116.687 115.700 -0.001 0.000 2.356 524 S HA -0.152 4.190 4.470 -0.213 0.000 0.223 524 S C 2.127 176.664 174.600 -0.104 0.000 1.032 524 S CA 1.242 59.409 58.200 -0.056 0.000 1.005 524 S CB -0.408 62.710 63.200 -0.136 0.000 0.867 524 S HN 0.332 nan 8.310 nan 0.000 0.449 525 L N 0.351 121.455 121.223 -0.199 0.000 2.043 525 L HA -0.158 4.054 4.340 -0.213 0.000 0.212 525 L C 2.763 179.377 176.870 -0.426 0.000 1.075 525 L CA 1.917 56.562 54.840 -0.324 0.000 0.752 525 L CB -0.443 41.338 42.059 -0.463 0.000 0.891 525 L HN 0.443 nan 8.230 nan 0.000 0.432 526 M N -0.557 118.842 119.600 -0.335 0.000 2.123 526 M HA -0.176 4.176 4.480 -0.213 0.000 0.263 526 M C 2.219 178.539 176.300 0.032 0.000 1.069 526 M CA 1.730 56.908 55.300 -0.203 0.000 1.133 526 M CB -0.318 32.132 32.600 -0.250 0.000 1.356 526 M HN 0.097 nan 8.290 nan 0.000 0.415 527 Q N -0.494 119.393 119.800 0.145 0.000 2.062 527 Q HA -0.232 3.980 4.340 -0.213 0.000 0.209 527 Q C 2.172 178.217 176.000 0.075 0.000 0.996 527 Q CA 2.557 58.452 55.803 0.153 0.000 0.859 527 Q CB -0.643 28.150 28.738 0.093 0.000 0.920 527 Q HN 0.767 nan 8.270 nan 0.000 0.415 528 S N 0.519 116.241 115.700 0.037 0.000 2.399 528 S HA -0.128 4.214 4.470 -0.213 0.000 0.231 528 S C 1.881 176.522 174.600 0.069 0.000 1.022 528 S CA 0.714 58.936 58.200 0.037 0.000 0.983 528 S CB -0.287 62.924 63.200 0.019 0.000 0.803 528 S HN 0.393 nan 8.310 nan 0.000 0.480 529 L N 1.195 122.486 121.223 0.113 0.000 2.027 529 L HA 0.085 4.297 4.340 -0.213 0.000 0.206 529 L C 2.301 179.228 176.870 0.095 0.000 1.074 529 L CA 1.768 56.704 54.840 0.161 0.000 0.745 529 L CB -1.051 41.266 42.059 0.431 0.000 0.898 529 L HN 0.428 nan 8.230 nan 0.000 0.433 530 L N 0.054 121.333 121.223 0.094 0.000 2.201 530 L HA -0.149 4.063 4.340 -0.213 0.000 0.212 530 L C 2.480 179.385 176.870 0.058 0.000 1.105 530 L CA 1.373 56.258 54.840 0.076 0.000 0.775 530 L CB -0.455 41.666 42.059 0.102 0.000 0.913 530 L HN 0.443 nan 8.230 nan 0.000 0.440 531 S N -3.098 112.633 115.700 0.052 0.000 2.512 531 S HA 0.006 4.348 4.470 -0.213 0.000 0.216 531 S C 0.669 175.284 174.600 0.025 0.000 1.006 531 S CA -0.457 57.763 58.200 0.034 0.000 0.915 531 S CB -0.014 63.203 63.200 0.028 0.000 0.824 531 S HN 0.208 nan 8.310 nan 0.000 0.497 532 D N 2.290 122.707 120.400 0.028 0.000 2.359 532 D HA 0.512 5.024 4.640 -0.213 0.000 0.250 532 D C 1.178 177.486 176.300 0.014 0.000 1.264 532 D CA 0.196 54.208 54.000 0.020 0.000 0.911 532 D CB 1.156 41.969 40.800 0.023 0.000 1.056 532 D HN 0.241 nan 8.370 nan 0.000 0.499 533 A N 3.454 126.280 122.820 0.010 0.000 2.019 533 A HA -0.043 4.149 4.320 -0.213 0.000 0.219 533 A C 2.080 179.666 177.584 0.003 0.000 1.164 533 A CA 1.465 53.507 52.037 0.007 0.000 0.644 533 A CB -0.603 18.400 19.000 0.006 0.000 0.805 533 A HN 0.618 nan 8.150 nan 0.000 0.449 534 G N -0.899 107.902 108.800 0.001 0.000 2.501 534 G HA2 0.112 3.945 3.960 -0.213 0.000 0.220 534 G HA3 0.112 3.945 3.960 -0.213 0.000 0.220 534 G C 0.478 175.372 174.900 -0.009 0.000 1.114 534 G CA 0.954 46.052 45.100 -0.004 0.000 0.757 534 G HN 0.321 nan 8.290 nan 0.000 0.559 535 V N 1.347 121.257 119.914 -0.007 0.000 2.333 535 V HA 0.616 4.609 4.120 -0.213 0.000 0.274 535 V C 0.602 176.690 176.094 -0.010 0.000 1.028 535 V CA -1.084 61.207 62.300 -0.015 0.000 0.851 535 V CB 0.794 32.608 31.823 -0.015 0.000 1.000 535 V HN 0.380 nan 8.190 nan 0.000 0.456 536 A N 4.031 126.842 122.820 -0.015 0.000 2.440 536 A HA 0.524 4.716 4.320 -0.213 0.000 0.251 536 A C 0.516 178.096 177.584 -0.007 0.000 1.089 536 A CA 0.048 52.080 52.037 -0.009 0.000 0.779 536 A CB 0.555 19.549 19.000 -0.011 0.000 1.022 536 A HN 0.839 nan 8.150 nan 0.000 0.492 537 S N 2.350 118.052 115.700 0.003 0.000 2.622 537 S HA 0.529 4.872 4.470 -0.213 0.000 0.283 537 S C -0.877 173.732 174.600 0.014 0.000 1.197 537 S CA -0.471 57.733 58.200 0.008 0.000 1.146 537 S CB -0.080 63.129 63.200 0.015 0.000 1.007 537 S HN 0.657 nan 8.310 nan 0.000 0.478 538 V N 6.251 126.173 119.914 0.014 0.000 2.628 538 V HA 0.551 4.543 4.120 -0.213 0.000 0.306 538 V C -2.237 173.876 176.094 0.032 0.000 1.045 538 V CA -2.110 60.203 62.300 0.022 0.000 0.905 538 V CB 1.813 33.646 31.823 0.017 0.000 0.997 538 V HN 0.651 nan 8.190 nan 0.000 0.436 539 P HA 0.177 nan 4.420 nan 0.000 0.264 539 P C -0.303 177.043 177.300 0.076 0.000 1.193 539 P CA -0.078 63.062 63.100 0.068 0.000 0.763 539 P CB 0.308 32.060 31.700 0.086 0.000 0.810 540 R N 1.103 121.645 120.500 0.071 0.000 2.623 540 R HA 0.198 4.410 4.340 -0.213 0.000 0.271 540 R C 0.957 177.374 176.300 0.195 0.000 1.043 540 R CA 0.149 56.301 56.100 0.087 0.000 1.083 540 R CB 0.020 30.325 30.300 0.008 0.000 0.974 540 R HN 0.410 nan 8.270 nan 0.000 0.436 541 T N 0.801 115.463 114.554 0.180 0.000 2.849 541 T HA 0.095 4.317 4.350 -0.213 0.000 0.284 541 T C 0.185 175.046 174.700 0.268 0.000 1.004 541 T CA -0.369 61.841 62.100 0.183 0.000 1.021 541 T CB 0.737 69.672 68.868 0.112 0.000 1.013 541 T HN 0.494 nan 8.240 nan 0.000 0.527 542 S N 2.066 117.843 115.700 0.129 0.000 2.562 542 S HA 0.441 4.783 4.470 -0.213 0.000 0.281 542 S C -0.935 173.717 174.600 0.088 0.000 1.333 542 S CA -0.148 58.055 58.200 0.006 0.000 1.052 542 S CB -0.159 62.974 63.200 -0.112 0.000 0.884 542 S HN 0.636 nan 8.310 nan 0.000 0.506 543 Y N -0.183 120.175 120.300 0.096 0.000 2.689 543 Y HA 0.770 5.193 4.550 -0.213 0.000 0.333 543 Y C -1.543 174.376 175.900 0.032 0.000 1.208 543 Y CA -1.580 56.547 58.100 0.044 0.000 1.055 543 Y CB 1.145 39.627 38.460 0.036 0.000 1.304 543 Y HN 0.494 nan 8.280 nan 0.000 0.455 544 L N 2.047 123.437 121.223 0.279 0.000 2.661 544 L HA 0.568 4.780 4.340 -0.213 0.000 0.263 544 L C -1.586 175.299 176.870 0.025 0.000 0.956 544 L CA -0.256 54.676 54.840 0.152 0.000 0.918 544 L CB 1.899 43.988 42.059 0.049 0.000 1.280 544 L HN 0.827 nan 8.230 nan 0.000 0.416 545 S N 3.315 118.966 115.700 -0.081 0.000 2.474 545 S HA 0.664 5.006 4.470 -0.213 0.000 0.321 545 S C 0.044 174.306 174.600 -0.564 0.000 1.080 545 S CA -0.421 57.497 58.200 -0.471 0.000 1.106 545 S CB 1.640 64.355 63.200 -0.808 0.000 0.984 545 S HN 0.639 nan 8.310 nan 0.000 0.464 546 A N 3.411 125.953 122.820 -0.465 0.000 2.582 546 A HA 0.558 4.750 4.320 -0.213 0.000 0.336 546 A C -0.500 176.894 177.584 -0.316 0.000 1.445 546 A CA -0.493 51.355 52.037 -0.315 0.000 0.997 546 A CB -0.627 18.217 19.000 -0.259 0.000 1.148 546 A HN 0.694 nan 8.150 nan 0.000 0.514 547 F N 2.306 122.214 119.950 -0.069 0.000 2.640 547 F HA 0.123 4.523 4.527 -0.213 0.000 0.354 547 F C 1.306 177.047 175.800 -0.099 0.000 1.213 547 F CA -0.624 57.336 58.000 -0.067 0.000 1.314 547 F CB -0.386 38.587 39.000 -0.046 0.000 1.679 547 F HN 0.547 nan 8.300 nan 0.000 0.622 548 N N 0.957 119.650 118.700 -0.011 0.000 2.137 548 N HA -0.174 4.438 4.740 -0.213 0.000 0.190 548 N C 1.819 177.307 175.510 -0.037 0.000 1.017 548 N CA 1.082 54.101 53.050 -0.051 0.000 0.859 548 N CB 0.074 38.450 38.487 -0.186 0.000 1.002 548 N HN 0.243 nan 8.380 nan 0.000 0.428 549 K N 0.844 121.186 120.400 -0.096 0.000 2.442 549 K HA 0.012 4.204 4.320 -0.213 0.000 0.198 549 K C 1.535 177.940 176.600 -0.325 0.000 1.042 549 K CA 0.464 56.562 56.287 -0.314 0.000 0.958 549 K CB -0.092 32.034 32.500 -0.623 0.000 0.766 549 K HN 0.515 nan 8.250 nan 0.000 0.474 550 M N -1.940 117.576 119.600 -0.140 0.000 2.504 550 M HA 0.282 4.634 4.480 -0.213 0.000 0.370 550 M C -1.044 175.252 176.300 -0.008 0.000 1.110 550 M CA -0.173 55.069 55.300 -0.098 0.000 0.938 550 M CB 0.602 33.125 32.600 -0.129 0.000 1.460 550 M HN -0.224 nan 8.290 nan 0.000 0.535 551 D N 2.412 122.823 120.400 0.018 0.000 2.689 551 D HA -0.110 4.402 4.640 -0.213 0.000 0.237 551 D C -0.750 175.584 176.300 0.056 0.000 1.148 551 D CA 1.083 55.111 54.000 0.045 0.000 0.656 551 D CB -0.495 40.350 40.800 0.075 0.000 1.050 551 D HN 0.545 nan 8.370 nan 0.000 0.426 552 K N -0.133 120.317 120.400 0.083 0.000 2.435 552 K HA 0.644 4.837 4.320 -0.213 0.000 0.251 552 K C -0.019 176.680 176.600 0.165 0.000 0.954 552 K CA -0.549 55.799 56.287 0.103 0.000 0.820 552 K CB 2.287 34.840 32.500 0.089 0.000 1.292 552 K HN -0.138 nan 8.250 nan 0.000 0.436 553 T N 0.608 115.220 114.554 0.097 0.000 2.928 553 T HA 0.604 4.827 4.350 -0.213 0.000 0.296 553 T C -1.139 173.631 174.700 0.118 0.000 1.000 553 T CA -0.686 61.456 62.100 0.071 0.000 0.989 553 T CB 1.683 70.558 68.868 0.011 0.000 1.005 553 T HN 0.632 nan 8.240 nan 0.000 0.442 554 A N 3.921 126.833 122.820 0.152 0.000 2.343 554 A HA 0.915 5.107 4.320 -0.213 0.000 0.316 554 A C -0.622 177.124 177.584 0.270 0.000 1.104 554 A CA -0.807 51.374 52.037 0.240 0.000 0.768 554 A CB 1.360 20.560 19.000 0.334 0.000 1.213 554 A HN 0.868 nan 8.150 nan 0.000 0.456 555 M N 2.621 122.398 119.600 0.295 0.000 2.501 555 M HA 0.710 5.062 4.480 -0.213 0.000 0.293 555 M C -2.430 173.885 176.300 0.026 0.000 1.192 555 M CA -0.641 54.761 55.300 0.169 0.000 0.886 555 M CB 2.247 35.000 32.600 0.254 0.000 1.710 555 M HN 0.841 nan 8.290 nan 0.000 0.457 556 Y N 2.977 122.965 120.300 -0.521 0.000 2.399 556 Y HA 0.403 4.825 4.550 -0.213 0.000 0.327 556 Y C -1.830 173.686 175.900 -0.639 0.000 1.111 556 Y CA -0.656 57.023 58.100 -0.702 0.000 1.047 556 Y CB 1.625 39.404 38.460 -1.134 0.000 1.259 556 Y HN 0.838 nan 8.280 nan 0.000 0.434 557 N N 4.217 122.043 118.700 -1.458 0.000 2.469 557 N HA 0.552 5.164 4.740 -0.213 0.000 0.253 557 N C 0.232 175.033 175.510 -1.182 0.000 0.970 557 N CA 0.357 52.740 53.050 -1.111 0.000 0.940 557 N CB 1.522 39.339 38.487 -1.117 0.000 1.128 557 N HN 0.786 nan 8.380 nan 0.000 0.503 558 A N 3.028 125.460 122.820 -0.646 0.000 1.970 558 A HA -0.085 4.107 4.320 -0.213 0.000 0.216 558 A C 1.861 179.345 177.584 -0.168 0.000 1.170 558 A CA 0.725 52.595 52.037 -0.278 0.000 0.645 558 A CB -0.424 18.612 19.000 0.061 0.000 0.816 558 A HN 0.871 nan 8.150 nan 0.000 0.447 559 E N 0.193 120.292 120.200 -0.169 0.000 2.070 559 E HA -0.236 3.986 4.350 -0.213 0.000 0.197 559 E C 1.622 178.195 176.600 -0.044 0.000 1.004 559 E CA 1.623 57.977 56.400 -0.077 0.000 0.805 559 E CB -0.062 29.603 29.700 -0.058 0.000 0.744 559 E HN 0.599 nan 8.360 nan 0.000 0.451 560 K N -2.043 118.318 120.400 -0.065 0.000 2.370 560 K HA 0.128 4.320 4.320 -0.213 0.000 0.194 560 K C 0.870 177.516 176.600 0.077 0.000 1.070 560 K CA 0.554 56.873 56.287 0.053 0.000 0.998 560 K CB 1.191 33.800 32.500 0.181 0.000 0.911 560 K HN 0.285 nan 8.250 nan 0.000 0.533 561 G N 2.162 110.908 108.800 -0.091 0.000 2.134 561 G HA2 -0.218 3.615 3.960 -0.213 0.000 0.209 561 G HA3 -0.218 3.615 3.960 -0.213 0.000 0.209 561 G C -0.188 174.777 174.900 0.108 0.000 0.993 561 G CA 0.075 45.177 45.100 0.003 0.000 0.669 561 G HN 0.297 nan 8.290 nan 0.000 0.519 562 F N 0.139 120.037 119.950 -0.087 0.000 2.538 562 F HA 0.897 5.296 4.527 -0.213 0.000 0.325 562 F C 0.355 176.230 175.800 0.126 0.000 1.066 562 F CA -1.298 56.752 58.000 0.083 0.000 0.946 562 F CB 1.448 40.501 39.000 0.088 0.000 1.199 562 F HN 0.334 nan 8.300 nan 0.000 0.473 563 G N 1.201 110.328 108.800 0.544 0.000 2.489 563 G HA2 0.629 4.461 3.960 -0.213 0.000 0.327 563 G HA3 0.629 4.461 3.960 -0.213 0.000 0.327 563 G C -2.473 172.918 174.900 0.817 0.000 1.189 563 G CA -0.822 44.619 45.100 0.568 0.000 0.962 563 G HN 0.789 nan 8.290 nan 0.000 0.486 564 F N 0.379 120.632 119.950 0.504 0.000 2.557 564 F HA 0.670 5.069 4.527 -0.213 0.000 0.316 564 F C 0.064 176.104 175.800 0.401 0.000 1.141 564 F CA -0.824 57.455 58.000 0.466 0.000 0.922 564 F CB 2.130 41.366 39.000 0.394 0.000 1.194 564 F HN 0.711 nan 8.300 nan 0.000 0.443 565 G N 5.589 114.302 108.800 -0.145 0.000 2.470 565 G HA2 0.568 4.400 3.960 -0.213 0.000 0.320 565 G HA3 0.568 4.400 3.960 -0.213 0.000 0.320 565 G C -2.378 172.274 174.900 -0.413 0.000 1.245 565 G CA -0.685 44.322 45.100 -0.156 0.000 0.935 565 G HN 0.652 nan 8.290 nan 0.000 0.476 566 L N 2.358 123.386 121.223 -0.324 0.000 2.294 566 L HA 0.626 4.838 4.340 -0.213 0.000 0.283 566 L C 0.273 177.072 176.870 -0.119 0.000 1.015 566 L CA -0.537 54.112 54.840 -0.319 0.000 0.831 566 L CB 1.856 43.656 42.059 -0.432 0.000 1.217 566 L HN 0.385 nan 8.230 nan 0.000 0.420 567 S N 6.045 121.742 115.700 -0.005 0.000 2.399 567 S HA 0.694 5.037 4.470 -0.213 0.000 0.301 567 S C -0.427 174.243 174.600 0.117 0.000 1.093 567 S CA -0.496 57.757 58.200 0.089 0.000 1.077 567 S CB -0.317 63.006 63.200 0.205 0.000 0.980 567 S HN 0.567 nan 8.310 nan 0.000 0.494 568 L N 4.333 125.634 121.223 0.130 0.000 2.256 568 L HA 0.838 5.050 4.340 -0.213 0.000 0.261 568 L C -0.568 176.529 176.870 0.379 0.000 1.022 568 L CA -1.246 53.740 54.840 0.243 0.000 0.828 568 L CB 1.490 43.614 42.059 0.110 0.000 1.374 568 L HN 0.666 nan 8.230 nan 0.000 0.436 569 F N -1.067 118.975 119.950 0.153 0.000 2.715 569 F HA 0.881 5.280 4.527 -0.213 0.000 0.318 569 F C -0.539 175.356 175.800 0.158 0.000 1.141 569 F CA -0.881 57.201 58.000 0.136 0.000 0.950 569 F CB 1.282 40.373 39.000 0.150 0.000 1.374 569 F HN 0.548 nan 8.300 nan 0.000 0.477 570 S N -0.695 114.991 115.700 -0.023 0.000 2.819 570 S HA 0.419 4.761 4.470 -0.213 0.000 0.299 570 S C 0.366 174.960 174.600 -0.009 0.000 1.192 570 S CA -0.068 58.075 58.200 -0.094 0.000 0.847 570 S CB 0.663 63.863 63.200 -0.001 0.000 1.224 570 S HN 1.420 nan 8.310 nan 0.000 0.537 571 S N 0.280 115.985 115.700 0.009 0.000 2.465 571 S HA -0.073 4.269 4.470 -0.213 0.000 0.241 571 S C 1.310 175.951 174.600 0.068 0.000 1.000 571 S CA 0.806 59.037 58.200 0.051 0.000 0.964 571 S CB -0.629 62.595 63.200 0.040 0.000 0.763 571 S HN 0.692 nan 8.310 nan 0.000 0.512 572 R N 1.181 121.718 120.500 0.061 0.000 2.334 572 R HA 0.191 4.404 4.340 -0.213 0.000 0.212 572 R C 0.009 176.345 176.300 0.059 0.000 0.897 572 R CA 0.743 56.871 56.100 0.047 0.000 1.056 572 R CB 0.535 30.847 30.300 0.019 0.000 1.046 572 R HN 0.630 nan 8.270 nan 0.000 0.513 573 T N -2.156 112.466 114.554 0.113 0.000 2.900 573 T HA 0.371 4.593 4.350 -0.213 0.000 0.303 573 T C -0.855 173.978 174.700 0.222 0.000 1.142 573 T CA -0.915 61.264 62.100 0.131 0.000 1.007 573 T CB 1.877 70.818 68.868 0.121 0.000 1.156 573 T HN -0.172 nan 8.240 nan 0.000 0.490 574 L N 3.402 124.694 121.223 0.116 0.000 2.367 574 L HA 0.327 4.539 4.340 -0.213 0.000 0.275 574 L C 1.579 178.414 176.870 -0.057 0.000 1.129 574 L CA -0.178 54.689 54.840 0.046 0.000 0.839 574 L CB 0.554 42.591 42.059 -0.037 0.000 1.133 574 L HN 0.878 nan 8.230 nan 0.000 0.453 575 N N 3.054 121.552 118.700 -0.337 0.000 2.106 575 N HA -0.134 4.478 4.740 -0.213 0.000 0.188 575 N C -0.347 175.071 175.510 -0.152 0.000 1.029 575 N CA 1.519 54.142 53.050 -0.712 0.000 0.848 575 N CB -0.402 37.163 38.487 -1.536 0.000 1.007 575 N HN 0.554 nan 8.380 nan 0.000 0.423 576 Y N -2.403 117.755 120.300 -0.237 0.000 2.544 576 Y HA 0.592 5.014 4.550 -0.213 0.000 0.342 576 Y C -1.190 174.650 175.900 -0.100 0.000 1.062 576 Y CA -1.800 56.200 58.100 -0.167 0.000 1.023 576 Y CB 0.854 39.212 38.460 -0.169 0.000 1.308 576 Y HN 0.036 nan 8.280 nan 0.000 0.457 577 E N 3.358 123.473 120.200 -0.143 0.000 2.081 577 E HA 0.154 4.376 4.350 -0.213 0.000 0.276 577 E C -1.464 175.135 176.600 -0.001 0.000 0.950 577 E CA -0.586 55.739 56.400 -0.124 0.000 0.776 577 E CB 0.450 30.173 29.700 0.038 0.000 1.094 577 E HN 0.854 nan 8.360 nan 0.000 0.402 578 H N 7.227 126.189 119.070 -0.180 0.000 2.661 578 H HA 0.354 4.782 4.556 -0.213 0.000 0.290 578 H C -1.175 174.130 175.328 -0.037 0.000 1.082 578 H CA -0.596 55.428 56.048 -0.040 0.000 1.234 578 H CB 0.646 30.433 29.762 0.042 0.000 1.387 578 H HN 0.608 nan 8.280 nan 0.000 0.476 579 M N 4.658 124.114 119.600 -0.241 0.000 2.520 579 M HA 0.180 4.532 4.480 -0.213 0.000 0.283 579 M C -0.860 175.359 176.300 -0.134 0.000 1.237 579 M CA -0.499 54.664 55.300 -0.227 0.000 0.885 579 M CB 1.629 34.177 32.600 -0.086 0.000 1.727 579 M HN 0.656 nan 8.290 nan 0.000 0.468 580 N N 2.501 121.129 118.700 -0.120 0.000 2.708 580 N HA -0.201 4.412 4.740 -0.213 0.000 0.249 580 N C -0.854 174.641 175.510 -0.026 0.000 1.097 580 N CA 1.679 54.696 53.050 -0.054 0.000 0.710 580 N CB -1.413 37.067 38.487 -0.012 0.000 1.032 580 N HN 0.854 nan 8.380 nan 0.000 0.551 581 K N -2.263 118.098 120.400 -0.065 0.000 3.088 581 K HA -0.261 3.931 4.320 -0.213 0.000 0.273 581 K C -0.625 176.067 176.600 0.153 0.000 1.111 581 K CA 1.296 57.626 56.287 0.072 0.000 0.803 581 K CB -1.265 31.280 32.500 0.075 0.000 1.226 581 K HN 0.576 nan 8.250 nan 0.000 0.485 582 E N 0.907 121.190 120.200 0.138 0.000 2.195 582 E HA 0.279 4.501 4.350 -0.213 0.000 0.271 582 E C -0.007 176.723 176.600 0.217 0.000 0.923 582 E CA -1.030 55.455 56.400 0.141 0.000 0.790 582 E CB 1.201 30.949 29.700 0.080 0.000 1.155 582 E HN 0.226 nan 8.360 nan 0.000 0.402 583 N N 1.946 120.705 118.700 0.098 0.000 2.862 583 N HA -0.165 4.447 4.740 -0.213 0.000 0.246 583 N C -0.027 175.410 175.510 -0.121 0.000 1.101 583 N CA 0.557 53.597 53.050 -0.017 0.000 0.679 583 N CB -0.900 37.583 38.487 -0.006 0.000 0.986 583 N HN 0.560 nan 8.380 nan 0.000 0.557 584 K N -0.187 120.061 120.400 -0.253 0.000 2.281 584 K HA -0.043 4.149 4.320 -0.213 0.000 0.203 584 K C 0.656 176.779 176.600 -0.794 0.000 1.046 584 K CA 1.273 57.211 56.287 -0.583 0.000 0.938 584 K CB 0.003 32.288 32.500 -0.358 0.000 0.737 584 K HN 0.429 nan 8.250 nan 0.000 0.458 585 R N -0.855 119.065 120.500 -0.966 0.000 2.690 585 R HA 0.115 4.327 4.340 -0.213 0.000 0.419 585 R C 1.024 176.400 176.300 -1.540 0.000 1.090 585 R CA -0.090 54.880 56.100 -1.883 0.000 1.064 585 R CB 1.057 30.441 30.300 -1.525 0.000 1.391 585 R HN 0.060 nan 8.270 nan 0.000 0.586 586 G N 0.435 108.540 108.800 -1.159 0.000 2.708 586 G HA2 -0.147 3.685 3.960 -0.213 0.000 0.210 586 G HA3 -0.147 3.685 3.960 -0.213 0.000 0.210 586 G C 0.772 174.929 174.900 -1.238 0.000 1.141 586 G CA -0.183 44.386 45.100 -0.886 0.000 0.788 586 G HN 0.357 nan 8.290 nan 0.000 0.531 587 W N 0.430 120.854 121.300 -1.460 0.000 2.290 587 W HA -0.174 4.359 4.660 -0.213 0.000 0.318 587 W C 1.151 177.176 176.519 -0.824 0.000 1.248 587 W CA 0.839 57.260 57.345 -1.540 0.000 1.263 587 W CB -1.040 27.499 29.460 -1.534 0.000 1.147 587 W HN 0.357 nan 8.180 nan 0.000 0.494 588 Y N 0.483 120.766 120.300 -0.028 0.000 2.607 588 Y HA 0.082 4.504 4.550 -0.213 0.000 0.266 588 Y C 2.258 178.214 175.900 0.094 0.000 1.178 588 Y CA 0.448 58.613 58.100 0.109 0.000 1.226 588 Y CB -1.304 37.254 38.460 0.163 0.000 1.144 588 Y HN -0.100 nan 8.280 nan 0.000 0.528 589 T N -4.351 110.264 114.554 0.102 0.000 3.007 589 T HA -0.063 4.159 4.350 -0.213 0.000 0.270 589 T C 1.255 176.073 174.700 0.198 0.000 1.107 589 T CA 1.315 63.509 62.100 0.157 0.000 1.118 589 T CB -0.169 68.762 68.868 0.104 0.000 0.889 589 T HN 0.137 nan 8.240 nan 0.000 0.506 590 S N 0.988 116.806 115.700 0.196 0.000 2.754 590 S HA 0.249 4.591 4.470 -0.213 0.000 0.247 590 S C -0.342 174.558 174.600 0.500 0.000 1.031 590 S CA -0.512 57.851 58.200 0.271 0.000 1.014 590 S CB 0.345 63.658 63.200 0.190 0.000 0.918 590 S HN 0.313 nan 8.310 nan 0.000 0.519 591 D N 2.068 122.744 120.400 0.461 0.000 2.881 591 D HA 0.364 4.876 4.640 -0.213 0.000 0.240 591 D C 1.114 177.591 176.300 0.296 0.000 1.249 591 D CA 0.149 54.456 54.000 0.511 0.000 0.839 591 D CB -0.218 40.869 40.800 0.478 0.000 1.042 591 D HN 0.426 nan 8.370 nan 0.000 0.475 592 G N 1.733 110.752 108.800 0.364 0.000 2.246 592 G HA2 -0.348 3.484 3.960 -0.213 0.000 0.273 592 G HA3 -0.348 3.484 3.960 -0.213 0.000 0.273 592 G C 0.385 175.515 174.900 0.384 0.000 1.055 592 G CA 0.248 45.573 45.100 0.375 0.000 0.851 592 G HN 0.445 nan 8.290 nan 0.000 0.500 593 M N 0.544 120.307 119.600 0.271 0.000 2.238 593 M HA 0.571 4.923 4.480 -0.213 0.000 0.350 593 M C 0.588 177.012 176.300 0.206 0.000 1.321 593 M CA -0.490 54.938 55.300 0.214 0.000 1.097 593 M CB 0.081 32.758 32.600 0.129 0.000 1.713 593 M HN 0.572 nan 8.290 nan 0.000 0.455 594 F N 4.467 124.486 119.950 0.114 0.000 2.483 594 F HA 0.697 5.096 4.527 -0.213 0.000 0.329 594 F C -2.134 173.578 175.800 -0.148 0.000 1.064 594 F CA -1.027 56.975 58.000 0.003 0.000 0.986 594 F CB 0.669 39.834 39.000 0.275 0.000 1.218 594 F HN 0.474 nan 8.300 nan 0.000 0.484 595 Y N 2.502 122.702 120.300 -0.166 0.000 2.393 595 Y HA 0.622 5.044 4.550 -0.213 0.000 0.341 595 Y C -0.973 174.921 175.900 -0.010 0.000 0.988 595 Y CA -1.033 56.876 58.100 -0.319 0.000 1.078 595 Y CB 2.001 40.142 38.460 -0.532 0.000 1.203 595 Y HN 0.762 nan 8.280 nan 0.000 0.453 596 L N 4.026 125.295 121.223 0.076 0.000 2.333 596 L HA 0.541 4.753 4.340 -0.213 0.000 0.280 596 L C -1.946 174.885 176.870 -0.064 0.000 1.004 596 L CA -0.897 54.056 54.840 0.189 0.000 0.820 596 L CB 0.541 42.762 42.059 0.271 0.000 1.247 596 L HN 0.461 nan 8.230 nan 0.000 0.416 597 Y N 5.403 125.933 120.300 0.384 0.000 2.369 597 Y HA 0.499 4.921 4.550 -0.213 0.000 0.337 597 Y C 0.323 176.409 175.900 0.310 0.000 0.961 597 Y CA -0.585 57.711 58.100 0.325 0.000 1.186 597 Y CB 0.686 39.328 38.460 0.302 0.000 1.139 597 Y HN 0.771 nan 8.280 nan 0.000 0.494 598 N N -0.092 118.800 118.700 0.320 0.000 3.283 598 N HA 0.356 4.968 4.740 -0.213 0.000 0.338 598 N C 1.195 176.831 175.510 0.211 0.000 1.517 598 N CA -0.451 52.750 53.050 0.252 0.000 0.733 598 N CB 0.137 38.715 38.487 0.152 0.000 1.797 598 N HN 0.479 nan 8.380 nan 0.000 0.637 599 G N -1.333 107.563 108.800 0.160 0.000 2.501 599 G HA2 -0.187 3.645 3.960 -0.213 0.000 0.220 599 G HA3 -0.187 3.645 3.960 -0.213 0.000 0.220 599 G C 0.075 175.037 174.900 0.103 0.000 1.114 599 G CA 0.833 46.012 45.100 0.132 0.000 0.757 599 G HN 0.714 nan 8.290 nan 0.000 0.559 600 D N 0.450 120.900 120.400 0.083 0.000 2.498 600 D HA 0.187 4.699 4.640 -0.213 0.000 0.229 600 D C 1.563 177.909 176.300 0.075 0.000 1.188 600 D CA -0.422 53.607 54.000 0.048 0.000 1.028 600 D CB 0.271 41.085 40.800 0.023 0.000 1.087 600 D HN -0.086 nan 8.370 nan 0.000 0.510 601 L N 2.320 123.587 121.223 0.074 0.000 2.187 601 L HA -0.142 4.070 4.340 -0.213 0.000 0.213 601 L C 2.382 179.164 176.870 -0.146 0.000 1.100 601 L CA 1.379 56.291 54.840 0.121 0.000 0.765 601 L CB -0.682 41.490 42.059 0.188 0.000 0.904 601 L HN 0.436 nan 8.230 nan 0.000 0.437 602 S N -2.522 112.884 115.700 -0.490 0.000 2.593 602 S HA -0.112 4.230 4.470 -0.213 0.000 0.217 602 S C 2.010 176.446 174.600 -0.273 0.000 0.966 602 S CA -0.021 57.707 58.200 -0.785 0.000 0.914 602 S CB -0.655 62.157 63.200 -0.647 0.000 0.776 602 S HN 0.543 nan 8.310 nan 0.000 0.523 603 H N 1.202 120.126 119.070 -0.243 0.000 2.290 603 H HA -0.156 4.273 4.556 -0.213 0.000 0.298 603 H C 0.558 175.591 175.328 -0.492 0.000 1.087 603 H CA 2.040 57.862 56.048 -0.377 0.000 1.291 603 H CB -0.419 29.027 29.762 -0.527 0.000 1.369 603 H HN 0.608 nan 8.280 nan 0.000 0.492 604 Y N 0.794 121.011 120.300 -0.140 0.000 2.462 604 Y HA 0.161 4.583 4.550 -0.213 0.000 0.293 604 Y C 0.992 176.869 175.900 -0.039 0.000 1.195 604 Y CA -0.166 57.693 58.100 -0.403 0.000 1.276 604 Y CB 0.389 38.700 38.460 -0.248 0.000 1.082 604 Y HN 0.013 nan 8.280 nan 0.000 0.514 605 S N -1.502 114.270 115.700 0.120 0.000 2.837 605 S HA 0.246 4.589 4.470 -0.213 0.000 0.314 605 S C -0.613 174.124 174.600 0.229 0.000 1.098 605 S CA -0.873 57.490 58.200 0.272 0.000 0.903 605 S CB 0.861 64.247 63.200 0.311 0.000 1.310 605 S HN 0.203 nan 8.310 nan 0.000 0.581 606 D N 0.987 121.578 120.400 0.318 0.000 2.697 606 D HA -0.117 4.395 4.640 -0.213 0.000 0.235 606 D C 0.724 177.173 176.300 0.249 0.000 1.167 606 D CA 1.420 55.583 54.000 0.272 0.000 0.656 606 D CB -1.675 39.224 40.800 0.166 0.000 1.025 606 D HN 1.179 nan 8.370 nan 0.000 0.419 607 G N -0.403 108.645 108.800 0.413 0.000 2.273 607 G HA2 -0.442 3.390 3.960 -0.213 0.000 0.280 607 G HA3 -0.442 3.390 3.960 -0.213 0.000 0.280 607 G C 0.680 175.575 174.900 -0.007 0.000 1.047 607 G CA 0.836 46.068 45.100 0.219 0.000 0.869 607 G HN 0.564 nan 8.290 nan 0.000 0.502 608 Y N -0.913 119.347 120.300 -0.067 0.000 2.053 608 Y HA -0.138 4.284 4.550 -0.213 0.000 0.277 608 Y C 2.617 178.358 175.900 -0.267 0.000 1.159 608 Y CA 2.652 60.638 58.100 -0.190 0.000 1.125 608 Y CB -0.381 37.861 38.460 -0.364 0.000 0.969 608 Y HN 0.394 nan 8.280 nan 0.000 0.492 609 W N 1.181 122.445 121.300 -0.059 0.000 2.335 609 W HA -0.161 4.371 4.660 -0.213 0.000 0.311 609 W C -0.280 175.900 176.519 -0.565 0.000 1.213 609 W CA 1.273 58.457 57.345 -0.268 0.000 1.274 609 W CB -1.570 27.861 29.460 -0.050 0.000 1.148 609 W HN 0.205 nan 8.180 nan 0.000 0.498 610 P HA -0.038 nan 4.420 nan 0.000 0.237 610 P C 0.984 178.044 177.300 -0.401 0.000 1.178 610 P CA 1.899 64.653 63.100 -0.577 0.000 0.766 610 P CB 0.036 31.180 31.700 -0.928 0.000 0.876 611 T N -4.378 109.947 114.554 -0.383 0.000 2.969 611 T HA 0.119 4.341 4.350 -0.213 0.000 0.250 611 T C 0.812 175.168 174.700 -0.574 0.000 1.021 611 T CA -0.139 61.789 62.100 -0.287 0.000 1.003 611 T CB -0.757 68.110 68.868 -0.001 0.000 1.040 611 T HN -0.105 nan 8.240 nan 0.000 0.492 612 V N 3.710 123.110 119.914 -0.857 0.000 2.763 612 V HA 0.233 4.225 4.120 -0.213 0.000 0.306 612 V C 0.161 175.820 176.094 -0.725 0.000 1.059 612 V CA -0.473 61.083 62.300 -1.240 0.000 1.138 612 V CB 0.325 31.347 31.823 -1.335 0.000 0.940 612 V HN 0.568 nan 8.190 nan 0.000 0.489 613 N N 8.706 127.024 118.700 -0.637 0.000 2.399 613 N HA 0.238 4.851 4.740 -0.213 0.000 0.259 613 N C -1.426 173.981 175.510 -0.171 0.000 1.160 613 N CA -1.948 50.927 53.050 -0.290 0.000 0.946 613 N CB 1.292 39.662 38.487 -0.195 0.000 1.156 613 N HN 0.489 nan 8.380 nan 0.000 0.489 614 P HA -0.082 nan 4.420 nan 0.000 0.234 614 P C 0.304 177.644 177.300 0.065 0.000 1.167 614 P CA 0.865 63.862 63.100 -0.172 0.000 0.763 614 P CB -0.010 31.398 31.700 -0.487 0.000 0.835 615 Y N 0.384 120.835 120.300 0.253 0.000 2.546 615 Y HA 0.132 4.555 4.550 -0.213 0.000 0.287 615 Y C 1.582 177.578 175.900 0.160 0.000 1.158 615 Y CA 0.762 59.051 58.100 0.315 0.000 1.307 615 Y CB 0.049 38.622 38.460 0.188 0.000 1.036 615 Y HN -0.111 nan 8.280 nan 0.000 0.532 616 K N 0.016 120.528 120.400 0.187 0.000 3.165 616 K HA 0.204 4.396 4.320 -0.213 0.000 0.206 616 K C -0.666 175.955 176.600 0.035 0.000 1.123 616 K CA -0.271 56.062 56.287 0.077 0.000 0.978 616 K CB 0.379 32.892 32.500 0.021 0.000 0.749 616 K HN -0.029 nan 8.250 nan 0.000 0.454 617 M N 2.863 122.516 119.600 0.088 0.000 2.238 617 M HA 0.124 4.476 4.480 -0.213 0.000 0.350 617 M C -2.236 174.086 176.300 0.036 0.000 1.321 617 M CA -2.787 52.547 55.300 0.056 0.000 1.097 617 M CB -0.535 32.148 32.600 0.139 0.000 1.713 617 M HN 0.007 nan 8.290 nan 0.000 0.455 618 P HA 0.097 nan 4.420 nan 0.000 0.264 618 P C 0.859 178.243 177.300 0.140 0.000 1.193 618 P CA 0.870 63.938 63.100 -0.052 0.000 0.763 618 P CB 0.567 32.024 31.700 -0.405 0.000 0.810 619 G N 2.200 111.232 108.800 0.387 0.000 2.268 619 G HA2 -0.227 3.605 3.960 -0.213 0.000 0.240 619 G HA3 -0.227 3.605 3.960 -0.213 0.000 0.240 619 G C 0.319 175.456 174.900 0.394 0.000 1.010 619 G CA 0.349 45.814 45.100 0.607 0.000 0.618 619 G HN 0.880 nan 8.290 nan 0.000 0.516 620 T N 0.024 114.720 114.554 0.237 0.000 2.907 620 T HA 0.567 4.789 4.350 -0.213 0.000 0.298 620 T C 0.102 174.834 174.700 0.052 0.000 1.017 620 T CA 0.630 62.801 62.100 0.119 0.000 1.118 620 T CB 1.850 70.770 68.868 0.087 0.000 0.948 620 T HN 0.329 nan 8.240 nan 0.000 0.531 621 T N 4.189 118.734 114.554 -0.016 0.000 2.795 621 T HA 0.559 4.782 4.350 -0.213 0.000 0.282 621 T C -0.520 174.214 174.700 0.056 0.000 0.980 621 T CA -0.685 61.453 62.100 0.064 0.000 1.012 621 T CB 0.788 69.729 68.868 0.121 0.000 0.936 621 T HN 0.705 nan 8.240 nan 0.000 0.457 622 E N 1.396 121.651 120.200 0.092 0.000 2.390 622 E HA 0.308 4.530 4.350 -0.213 0.000 0.280 622 E C -0.355 176.303 176.600 0.097 0.000 0.992 622 E CA -0.703 55.721 56.400 0.041 0.000 0.790 622 E CB 1.621 31.157 29.700 -0.273 0.000 1.248 622 E HN 0.711 nan 8.360 nan 0.000 0.447 623 T N -1.921 112.714 114.554 0.135 0.000 2.816 623 T HA 0.204 4.426 4.350 -0.213 0.000 0.282 623 T C 0.695 175.468 174.700 0.121 0.000 0.993 623 T CA -0.416 61.762 62.100 0.130 0.000 0.994 623 T CB 0.589 69.544 68.868 0.145 0.000 1.025 623 T HN 0.466 nan 8.240 nan 0.000 0.529 624 D N -0.432 120.016 120.400 0.080 0.000 2.325 624 D HA 0.190 4.702 4.640 -0.213 0.000 0.225 624 D C 0.903 177.203 176.300 -0.001 0.000 1.096 624 D CA -0.376 53.636 54.000 0.019 0.000 0.844 624 D CB -0.861 39.916 40.800 -0.039 0.000 0.925 624 D HN 0.824 nan 8.370 nan 0.000 0.513 625 A N 1.208 124.094 122.820 0.110 0.000 2.586 625 A HA 0.176 4.368 4.320 -0.213 0.000 0.231 625 A C 0.606 178.221 177.584 0.051 0.000 1.055 625 A CA -0.071 52.043 52.037 0.127 0.000 0.756 625 A CB -0.046 19.139 19.000 0.308 0.000 0.988 625 A HN 0.440 nan 8.150 nan 0.000 0.509 626 K N 1.492 121.885 120.400 -0.012 0.000 2.258 626 K HA 0.508 4.700 4.320 -0.213 0.000 0.264 626 K C -0.244 176.302 176.600 -0.091 0.000 1.007 626 K CA -0.222 56.038 56.287 -0.046 0.000 0.941 626 K CB 0.622 33.093 32.500 -0.048 0.000 0.966 626 K HN 0.506 nan 8.250 nan 0.000 0.480 627 R N 0.679 121.026 120.500 -0.254 0.000 2.711 627 R HA 0.535 4.747 4.340 -0.213 0.000 0.284 627 R C -0.910 175.046 176.300 -0.575 0.000 0.968 627 R CA -1.029 54.522 56.100 -0.914 0.000 0.924 627 R CB 1.989 30.849 30.300 -2.400 0.000 1.162 627 R HN 0.879 nan 8.270 nan 0.000 0.465 628 A N 1.478 124.027 122.820 -0.452 0.000 2.276 628 A HA 0.296 4.488 4.320 -0.213 0.000 0.316 628 A C 0.198 177.852 177.584 0.116 0.000 1.229 628 A CA -0.559 51.419 52.037 -0.098 0.000 0.851 628 A CB 0.435 19.400 19.000 -0.059 0.000 1.165 628 A HN 0.620 nan 8.150 nan 0.000 0.513 629 D N 1.667 122.191 120.400 0.207 0.000 2.228 629 D HA -0.169 4.343 4.640 -0.213 0.000 0.203 629 D C 2.097 178.400 176.300 0.005 0.000 0.988 629 D CA 2.086 56.152 54.000 0.109 0.000 0.864 629 D CB -0.082 40.733 40.800 0.024 0.000 0.928 629 D HN 0.653 nan 8.370 nan 0.000 0.469 630 S N -0.180 115.579 115.700 0.098 0.000 2.515 630 S HA -0.072 4.271 4.470 -0.213 0.000 0.231 630 S C 0.512 175.234 174.600 0.204 0.000 0.987 630 S CA -0.155 58.143 58.200 0.164 0.000 0.936 630 S CB -0.036 63.235 63.200 0.117 0.000 0.766 630 S HN -0.037 nan 8.310 nan 0.000 0.528 631 D N 2.932 123.442 120.400 0.183 0.000 2.423 631 D HA 0.350 4.863 4.640 -0.213 0.000 0.238 631 D C 0.680 177.165 176.300 0.308 0.000 1.142 631 D CA 0.691 54.814 54.000 0.205 0.000 0.884 631 D CB 1.059 41.943 40.800 0.139 0.000 1.199 631 D HN 0.517 nan 8.370 nan 0.000 0.438 632 T N -1.974 112.685 114.554 0.175 0.000 2.940 632 T HA 0.694 4.916 4.350 -0.213 0.000 0.288 632 T C 0.677 175.285 174.700 -0.153 0.000 1.045 632 T CA -1.021 61.078 62.100 -0.002 0.000 1.018 632 T CB 1.384 70.233 68.868 -0.032 0.000 1.151 632 T HN 0.246 nan 8.240 nan 0.000 0.529 633 G N 0.833 109.352 108.800 -0.469 0.000 2.664 633 G HA2 0.500 4.332 3.960 -0.213 0.000 0.242 633 G HA3 0.500 4.332 3.960 -0.213 0.000 0.242 633 G C -0.596 174.244 174.900 -0.099 0.000 1.225 633 G CA -0.469 44.356 45.100 -0.457 0.000 0.849 633 G HN 0.687 nan 8.290 nan 0.000 0.581 634 K N -0.656 119.744 120.400 0.000 0.000 2.477 634 K HA 0.467 4.659 4.320 -0.213 0.000 0.255 634 K C -0.025 176.708 176.600 0.222 0.000 0.952 634 K CA -0.748 55.619 56.287 0.134 0.000 0.826 634 K CB 1.935 34.576 32.500 0.235 0.000 1.331 634 K HN 0.533 nan 8.250 nan 0.000 0.437 635 V N -0.726 119.345 119.914 0.262 0.000 2.904 635 V HA 0.430 4.422 4.120 -0.213 0.000 0.305 635 V C 0.211 176.565 176.094 0.433 0.000 1.067 635 V CA -1.024 61.495 62.300 0.365 0.000 1.044 635 V CB 0.916 32.861 31.823 0.203 0.000 1.050 635 V HN 0.612 nan 8.190 nan 0.000 0.475 636 L N 4.616 126.015 121.223 0.294 0.000 2.397 636 L HA 0.449 4.661 4.340 -0.213 0.000 0.271 636 L C -1.556 175.327 176.870 0.021 0.000 1.148 636 L CA -1.061 53.759 54.840 -0.032 0.000 0.825 636 L CB 0.917 42.661 42.059 -0.525 0.000 1.117 636 L HN 0.530 nan 8.230 nan 0.000 0.456 637 P HA -0.082 nan 4.420 nan 0.000 0.217 637 P C -0.034 177.280 177.300 0.024 0.000 1.150 637 P CA 0.819 63.935 63.100 0.026 0.000 0.832 637 P CB 0.202 31.911 31.700 0.015 0.000 0.787 638 S N -1.546 114.164 115.700 0.017 0.000 2.616 638 S HA 0.540 4.882 4.470 -0.213 0.000 0.277 638 S C 1.008 175.639 174.600 0.051 0.000 1.234 638 S CA -0.215 58.017 58.200 0.053 0.000 1.028 638 S CB 0.800 64.063 63.200 0.105 0.000 0.988 638 S HN 0.028 nan 8.310 nan 0.000 0.522 639 A N 3.242 126.108 122.820 0.077 0.000 2.267 639 A HA 0.322 4.514 4.320 -0.213 0.000 0.213 639 A C 0.358 177.993 177.584 0.084 0.000 1.192 639 A CA -0.191 51.883 52.037 0.062 0.000 0.851 639 A CB -0.282 18.746 19.000 0.047 0.000 0.881 639 A HN 0.733 nan 8.150 nan 0.000 0.494 640 F N 1.615 121.536 119.950 -0.050 0.000 2.605 640 F HA 0.479 4.879 4.527 -0.213 0.000 0.352 640 F C -0.621 175.157 175.800 -0.036 0.000 1.236 640 F CA -0.382 57.562 58.000 -0.092 0.000 1.267 640 F CB 0.304 39.213 39.000 -0.152 0.000 1.632 640 F HN -0.108 nan 8.300 nan 0.000 0.639 641 V N 3.356 123.173 119.914 -0.162 0.000 2.697 641 V HA 0.811 4.803 4.120 -0.213 0.000 0.296 641 V C -0.173 175.876 176.094 -0.075 0.000 1.140 641 V CA -0.416 61.844 62.300 -0.066 0.000 0.921 641 V CB 1.181 33.014 31.823 0.016 0.000 1.036 641 V HN 0.769 nan 8.190 nan 0.000 0.438 642 G N 2.438 111.201 108.800 -0.062 0.000 2.325 642 G HA2 0.540 4.373 3.960 -0.213 0.000 0.297 642 G HA3 0.540 4.373 3.960 -0.213 0.000 0.297 642 G C -1.212 173.685 174.900 -0.006 0.000 1.448 642 G CA -0.403 44.720 45.100 0.038 0.000 0.838 642 G HN 0.483 nan 8.290 nan 0.000 0.579 643 T N 0.470 114.975 114.554 -0.082 0.000 2.807 643 T HA 0.612 4.834 4.350 -0.213 0.000 0.279 643 T C -0.093 174.449 174.700 -0.263 0.000 0.993 643 T CA -0.264 61.750 62.100 -0.143 0.000 0.970 643 T CB 1.536 70.319 68.868 -0.141 0.000 0.950 643 T HN 0.778 nan 8.240 nan 0.000 0.441 644 S N 3.114 118.729 115.700 -0.142 0.000 2.423 644 S HA 0.349 4.691 4.470 -0.213 0.000 0.317 644 S C -0.181 174.369 174.600 -0.084 0.000 1.065 644 S CA -0.816 57.305 58.200 -0.131 0.000 1.111 644 S CB -0.030 63.129 63.200 -0.068 0.000 0.968 644 S HN 0.625 nan 8.310 nan 0.000 0.474 645 K N 4.968 125.300 120.400 -0.115 0.000 2.211 645 K HA 0.285 4.477 4.320 -0.213 0.000 0.275 645 K C 0.512 177.094 176.600 -0.030 0.000 1.024 645 K CA -0.698 55.547 56.287 -0.069 0.000 0.887 645 K CB 1.043 33.482 32.500 -0.101 0.000 1.084 645 K HN 0.590 nan 8.250 nan 0.000 0.463 646 L N 3.697 124.924 121.223 0.007 0.000 2.145 646 L HA 0.139 4.352 4.340 -0.213 0.000 0.201 646 L C -0.105 176.773 176.870 0.013 0.000 1.075 646 L CA 1.733 56.587 54.840 0.023 0.000 0.773 646 L CB -0.094 42.000 42.059 0.058 0.000 0.936 646 L HN 0.988 nan 8.230 nan 0.000 0.451 647 D N -4.006 116.402 120.400 0.012 0.000 2.946 647 D HA 0.132 4.644 4.640 -0.213 0.000 0.337 647 D C 0.058 176.363 176.300 0.009 0.000 1.332 647 D CA -0.340 53.666 54.000 0.010 0.000 0.935 647 D CB -0.341 40.468 40.800 0.015 0.000 1.440 647 D HN -0.225 nan 8.370 nan 0.000 0.540 648 D N -1.158 119.250 120.400 0.013 0.000 2.363 648 D HA 0.220 4.732 4.640 -0.213 0.000 0.220 648 D C 1.052 177.352 176.300 0.000 0.000 0.994 648 D CA 1.114 55.128 54.000 0.023 0.000 0.890 648 D CB 0.301 41.122 40.800 0.035 0.000 0.906 648 D HN 0.456 nan 8.370 nan 0.000 0.530 649 A N -0.433 122.383 122.820 -0.007 0.000 2.312 649 A HA 0.144 4.336 4.320 -0.213 0.000 0.215 649 A C 0.490 178.073 177.584 -0.002 0.000 1.256 649 A CA -0.157 51.866 52.037 -0.024 0.000 0.966 649 A CB 0.639 19.623 19.000 -0.028 0.000 1.053 649 A HN -0.026 nan 8.150 nan 0.000 0.510 650 N N 0.095 118.805 118.700 0.017 0.000 2.430 650 N HA 0.630 5.242 4.740 -0.213 0.000 0.290 650 N C -0.889 174.650 175.510 0.048 0.000 1.063 650 N CA 0.341 53.416 53.050 0.042 0.000 0.883 650 N CB 2.102 40.623 38.487 0.056 0.000 1.465 650 N HN 0.363 nan 8.380 nan 0.000 0.493 651 A N 1.025 123.877 122.820 0.054 0.000 2.588 651 A HA 0.866 5.058 4.320 -0.213 0.000 0.290 651 A C -1.050 176.563 177.584 0.048 0.000 1.136 651 A CA -0.493 51.568 52.037 0.041 0.000 0.681 651 A CB 1.686 20.688 19.000 0.003 0.000 1.282 651 A HN 0.348 nan 8.150 nan 0.000 0.421 652 T N 0.217 114.776 114.554 0.008 0.000 2.952 652 T HA 0.750 4.972 4.350 -0.213 0.000 0.305 652 T C -0.527 174.122 174.700 -0.085 0.000 1.064 652 T CA 0.238 62.289 62.100 -0.081 0.000 1.008 652 T CB 1.659 70.504 68.868 -0.039 0.000 1.078 652 T HN 1.740 nan 8.240 nan 0.000 0.459 653 A N 1.720 124.488 122.820 -0.086 0.000 2.454 653 A HA 0.957 5.149 4.320 -0.213 0.000 0.302 653 A C -0.306 177.370 177.584 0.154 0.000 1.079 653 A CA -0.773 51.294 52.037 0.050 0.000 0.731 653 A CB 2.231 21.296 19.000 0.108 0.000 1.299 653 A HN 0.747 nan 8.150 nan 0.000 0.413 654 T N 0.534 115.182 114.554 0.156 0.000 2.841 654 T HA 0.720 4.942 4.350 -0.213 0.000 0.296 654 T C -1.377 173.525 174.700 0.336 0.000 1.166 654 T CA -0.423 61.827 62.100 0.250 0.000 1.007 654 T CB 1.238 70.158 68.868 0.087 0.000 1.253 654 T HN 0.964 nan 8.240 nan 0.000 0.511 655 M N 3.304 123.171 119.600 0.445 0.000 2.206 655 M HA 0.359 4.711 4.480 -0.213 0.000 0.272 655 M C -1.792 174.812 176.300 0.506 0.000 1.012 655 M CA -0.601 54.972 55.300 0.454 0.000 0.986 655 M CB 1.562 34.534 32.600 0.621 0.000 1.740 655 M HN 0.586 nan 8.290 nan 0.000 0.472 656 D N 4.543 125.235 120.400 0.486 0.000 2.470 656 D HA 0.139 4.652 4.640 -0.213 0.000 0.226 656 D C -1.398 175.140 176.300 0.397 0.000 1.196 656 D CA 0.219 54.547 54.000 0.546 0.000 0.979 656 D CB -0.067 41.054 40.800 0.534 0.000 1.059 656 D HN 0.410 nan 8.370 nan 0.000 0.515 657 F N 2.852 122.978 119.950 0.292 0.000 2.420 657 F HA 0.385 4.784 4.527 -0.213 0.000 0.352 657 F C -0.242 175.666 175.800 0.179 0.000 1.108 657 F CA -0.233 57.904 58.000 0.227 0.000 1.162 657 F CB 0.996 40.155 39.000 0.266 0.000 1.118 657 F HN 0.018 nan 8.300 nan 0.000 0.510 658 T N 6.419 120.530 114.554 -0.738 0.000 2.848 658 T HA 0.260 4.482 4.350 -0.213 0.000 0.285 658 T C -0.418 173.716 174.700 -0.943 0.000 0.995 658 T CA -0.979 60.736 62.100 -0.641 0.000 0.970 658 T CB 1.083 69.809 68.868 -0.237 0.000 0.976 658 T HN 0.671 nan 8.240 nan 0.000 0.441 659 N N 2.014 120.372 118.700 -0.570 0.000 2.379 659 N HA 0.080 4.692 4.740 -0.213 0.000 0.260 659 N C 1.488 177.042 175.510 0.074 0.000 1.254 659 N CA -1.129 51.875 53.050 -0.076 0.000 0.958 659 N CB 0.531 39.156 38.487 0.230 0.000 1.208 659 N HN 0.894 nan 8.380 nan 0.000 0.532 660 W N 0.438 121.859 121.300 0.201 0.000 2.525 660 W HA -0.053 4.480 4.660 -0.213 0.000 0.259 660 W C -0.197 176.394 176.519 0.120 0.000 1.253 660 W CA 0.838 58.303 57.345 0.200 0.000 1.262 660 W CB -0.987 28.625 29.460 0.253 0.000 1.122 660 W HN 0.637 nan 8.180 nan 0.000 0.607 661 N N 0.267 118.486 118.700 -0.802 0.000 2.305 661 N HA 0.017 4.629 4.740 -0.213 0.000 0.248 661 N C 0.100 175.351 175.510 -0.432 0.000 1.290 661 N CA -0.059 52.483 53.050 -0.845 0.000 0.873 661 N CB -0.641 36.875 38.487 -1.619 0.000 1.261 661 N HN -0.013 nan 8.380 nan 0.000 0.504 662 Q N -0.602 119.034 119.800 -0.274 0.000 2.457 662 Q HA -0.184 4.029 4.340 -0.213 0.000 0.283 662 Q C 0.609 176.519 176.000 -0.151 0.000 1.234 662 Q CA 1.558 57.261 55.803 -0.167 0.000 0.877 662 Q CB -2.780 25.887 28.738 -0.119 0.000 1.250 662 Q HN 0.742 nan 8.270 nan 0.000 0.481 663 T N -3.895 110.558 114.554 -0.168 0.000 3.037 663 T HA 0.362 4.585 4.350 -0.213 0.000 0.252 663 T C 0.560 175.232 174.700 -0.047 0.000 1.073 663 T CA 0.300 62.338 62.100 -0.103 0.000 1.091 663 T CB 0.526 69.329 68.868 -0.109 0.000 0.935 663 T HN 0.355 nan 8.240 nan 0.000 0.488 664 L N 2.037 123.242 121.223 -0.029 0.000 2.401 664 L HA 0.727 4.939 4.340 -0.213 0.000 0.266 664 L C -0.825 176.059 176.870 0.024 0.000 0.991 664 L CA -0.506 54.356 54.840 0.036 0.000 0.818 664 L CB 2.331 44.470 42.059 0.133 0.000 1.321 664 L HN 0.350 nan 8.230 nan 0.000 0.413 665 T N 1.120 115.702 114.554 0.047 0.000 2.907 665 T HA 0.970 5.192 4.350 -0.213 0.000 0.290 665 T C -0.764 174.023 174.700 0.145 0.000 1.066 665 T CA -0.393 61.749 62.100 0.071 0.000 1.012 665 T CB 2.021 70.877 68.868 -0.020 0.000 1.184 665 T HN 1.058 nan 8.240 nan 0.000 0.522 666 A N 0.873 123.825 122.820 0.220 0.000 2.565 666 A HA 0.559 4.751 4.320 -0.213 0.000 0.298 666 A C -1.389 176.329 177.584 0.224 0.000 1.062 666 A CA -0.900 51.212 52.037 0.125 0.000 0.723 666 A CB 0.688 19.801 19.000 0.189 0.000 1.282 666 A HN 0.922 nan 8.150 nan 0.000 0.400 667 H N 2.284 121.330 119.070 -0.041 0.000 3.109 667 H HA 0.251 4.679 4.556 -0.213 0.000 0.266 667 H C -0.172 175.114 175.328 -0.069 0.000 1.334 667 H CA 0.376 56.370 56.048 -0.090 0.000 1.456 667 H CB -0.059 29.442 29.762 -0.435 0.000 1.587 667 H HN 0.440 nan 8.280 nan 0.000 0.500 668 K N 1.912 122.381 120.400 0.115 0.000 2.183 668 K HA 0.558 4.750 4.320 -0.213 0.000 0.274 668 K C -0.177 176.125 176.600 -0.496 0.000 1.009 668 K CA -0.515 55.632 56.287 -0.233 0.000 0.888 668 K CB 1.571 33.955 32.500 -0.194 0.000 1.078 668 K HN 0.295 nan 8.250 nan 0.000 0.459 669 S N 1.526 116.764 115.700 -0.769 0.000 2.564 669 S HA 0.531 4.873 4.470 -0.213 0.000 0.274 669 S C -1.489 172.666 174.600 -0.741 0.000 1.124 669 S CA -0.963 56.924 58.200 -0.521 0.000 0.869 669 S CB 1.296 64.398 63.200 -0.163 0.000 1.105 669 S HN 0.471 nan 8.310 nan 0.000 0.472 670 W N 1.629 122.690 121.300 -0.397 0.000 2.998 670 W HA 0.482 5.014 4.660 -0.213 0.000 0.335 670 W C -2.046 174.136 176.519 -0.562 0.000 1.110 670 W CA -0.743 56.388 57.345 -0.357 0.000 1.230 670 W CB 1.444 30.741 29.460 -0.272 0.000 1.405 670 W HN 0.538 nan 8.180 nan 0.000 0.493 671 F N 2.492 122.488 119.950 0.077 0.000 2.434 671 F HA 0.395 4.794 4.527 -0.213 0.000 0.367 671 F C 0.292 176.091 175.800 -0.001 0.000 1.093 671 F CA -0.815 57.223 58.000 0.063 0.000 1.085 671 F CB 0.789 39.831 39.000 0.071 0.000 1.322 671 F HN -0.059 nan 8.300 nan 0.000 0.452 672 M N 4.626 124.283 119.600 0.095 0.000 2.156 672 M HA 0.312 4.664 4.480 -0.213 0.000 0.345 672 M C -0.354 175.981 176.300 0.058 0.000 1.398 672 M CA 0.305 55.611 55.300 0.009 0.000 1.148 672 M CB 0.458 33.060 32.600 0.003 0.000 1.663 672 M HN 0.540 nan 8.290 nan 0.000 0.464 673 L N 4.418 125.669 121.223 0.045 0.000 2.861 673 L HA 0.280 4.492 4.340 -0.213 0.000 0.290 673 L C 0.687 177.574 176.870 0.028 0.000 1.346 673 L CA -0.077 54.791 54.840 0.046 0.000 0.779 673 L CB 0.054 42.146 42.059 0.054 0.000 1.143 673 L HN 0.877 nan 8.230 nan 0.000 0.548 674 K N 1.078 121.491 120.400 0.021 0.000 8.125 674 K HA -0.259 3.933 4.320 -0.213 0.000 0.489 674 K C 0.251 176.879 176.600 0.048 0.000 0.360 674 K CA 2.219 58.507 56.287 0.001 0.000 1.963 674 K CB -0.906 31.587 32.500 -0.012 0.000 0.652 674 K HN 0.616 nan 8.250 nan 0.000 0.914 675 D N 1.084 121.553 120.400 0.116 0.000 2.563 675 D HA 0.210 4.722 4.640 -0.213 0.000 0.237 675 D C -0.336 176.070 176.300 0.176 0.000 1.282 675 D CA 0.023 54.177 54.000 0.258 0.000 0.816 675 D CB 0.288 41.180 40.800 0.152 0.000 1.066 675 D HN 0.541 nan 8.370 nan 0.000 0.501 676 K N -0.606 119.863 120.400 0.116 0.000 2.610 676 K HA 0.528 4.720 4.320 -0.213 0.000 0.278 676 K C -1.918 174.669 176.600 -0.023 0.000 0.964 676 K CA -0.886 55.405 56.287 0.007 0.000 0.859 676 K CB 0.830 33.349 32.500 0.032 0.000 1.434 676 K HN -0.118 nan 8.250 nan 0.000 0.410 677 I N 1.319 121.845 120.570 -0.074 0.000 2.498 677 I HA 0.479 4.521 4.170 -0.213 0.000 0.290 677 I C -0.615 175.570 176.117 0.113 0.000 1.032 677 I CA -0.544 60.684 61.300 -0.120 0.000 1.073 677 I CB 2.049 39.691 38.000 -0.597 0.000 1.251 677 I HN 0.838 nan 8.210 nan 0.000 0.426 678 A N 5.812 128.745 122.820 0.189 0.000 2.290 678 A HA 0.805 4.997 4.320 -0.213 0.000 0.310 678 A C -1.127 176.615 177.584 0.263 0.000 1.202 678 A CA -0.234 52.009 52.037 0.344 0.000 0.837 678 A CB 0.109 19.328 19.000 0.364 0.000 1.139 678 A HN 0.449 nan 8.150 nan 0.000 0.509 679 F N 2.605 122.526 119.950 -0.048 0.000 2.361 679 F HA 0.475 4.874 4.527 -0.213 0.000 0.364 679 F C -0.044 175.740 175.800 -0.026 0.000 1.117 679 F CA -0.476 57.415 58.000 -0.182 0.000 1.071 679 F CB 1.181 39.822 39.000 -0.599 0.000 1.188 679 F HN 0.318 nan 8.300 nan 0.000 0.464 680 L N 3.018 124.325 121.223 0.141 0.000 2.329 680 L HA 0.865 5.078 4.340 -0.213 0.000 0.279 680 L C 0.288 176.854 176.870 -0.507 0.000 1.014 680 L CA -0.845 53.954 54.840 -0.069 0.000 0.814 680 L CB 1.996 44.095 42.059 0.067 0.000 1.257 680 L HN 0.721 nan 8.230 nan 0.000 0.424 681 G N 0.858 108.945 108.800 -1.188 0.000 2.643 681 G HA2 0.640 4.472 3.960 -0.213 0.000 0.305 681 G HA3 0.640 4.472 3.960 -0.213 0.000 0.305 681 G C -0.884 173.664 174.900 -0.587 0.000 1.387 681 G CA -0.284 44.175 45.100 -1.068 0.000 0.982 681 G HN 0.610 nan 8.290 nan 0.000 0.501 682 S N 0.843 116.360 115.700 -0.305 0.000 2.671 682 S HA 0.590 4.933 4.470 -0.213 0.000 0.299 682 S C 0.423 174.871 174.600 -0.254 0.000 1.116 682 S CA -0.539 57.533 58.200 -0.213 0.000 0.912 682 S CB 1.720 64.845 63.200 -0.125 0.000 1.130 682 S HN 1.149 nan 8.310 nan 0.000 0.501 683 N N -0.153 118.403 118.700 -0.240 0.000 2.735 683 N HA -0.149 4.463 4.740 -0.213 0.000 0.248 683 N C -0.962 174.391 175.510 -0.262 0.000 1.083 683 N CA 0.264 53.127 53.050 -0.312 0.000 0.703 683 N CB -1.066 37.053 38.487 -0.613 0.000 1.005 683 N HN 0.733 nan 8.380 nan 0.000 0.550 684 I N 1.691 122.150 120.570 -0.184 0.000 2.505 684 I HA 0.009 4.052 4.170 -0.213 0.000 0.287 684 I C 0.507 176.575 176.117 -0.081 0.000 1.104 684 I CA 0.671 61.888 61.300 -0.138 0.000 1.387 684 I CB 0.688 38.551 38.000 -0.228 0.000 1.404 684 I HN 0.146 nan 8.210 nan 0.000 0.528 685 Q N 5.294 125.063 119.800 -0.052 0.000 2.359 685 Q HA 0.452 4.664 4.340 -0.213 0.000 0.274 685 Q C -0.998 175.002 176.000 -0.000 0.000 1.074 685 Q CA -0.971 54.814 55.803 -0.030 0.000 0.810 685 Q CB 2.879 31.585 28.738 -0.053 0.000 1.342 685 Q HN 0.493 nan 8.270 nan 0.000 0.427 686 N N 0.193 118.897 118.700 0.007 0.000 2.500 686 N HA 0.193 4.805 4.740 -0.213 0.000 0.291 686 N C -0.389 175.122 175.510 0.002 0.000 1.092 686 N CA -0.255 52.805 53.050 0.016 0.000 0.890 686 N CB 1.762 40.274 38.487 0.041 0.000 1.466 686 N HN 0.653 nan 8.380 nan 0.000 0.507 687 T N -0.825 113.722 114.554 -0.012 0.000 3.040 687 T HA 0.145 4.367 4.350 -0.213 0.000 0.250 687 T C 0.921 175.610 174.700 -0.019 0.000 1.058 687 T CA 0.216 62.304 62.100 -0.019 0.000 0.988 687 T CB -0.280 68.569 68.868 -0.031 0.000 0.993 687 T HN 0.424 nan 8.240 nan 0.000 0.519 688 S N 1.841 117.531 115.700 -0.016 0.000 2.617 688 S HA 0.238 4.580 4.470 -0.213 0.000 0.259 688 S C 1.360 175.961 174.600 0.002 0.000 1.301 688 S CA 0.134 58.327 58.200 -0.011 0.000 0.984 688 S CB 0.732 63.929 63.200 -0.005 0.000 0.954 688 S HN 0.427 nan 8.310 nan 0.000 0.572 689 T N -2.025 112.532 114.554 0.004 0.000 3.081 689 T HA 0.149 4.371 4.350 -0.213 0.000 0.250 689 T C -0.041 174.667 174.700 0.013 0.000 1.100 689 T CA -0.153 61.952 62.100 0.007 0.000 1.038 689 T CB -0.516 68.354 68.868 0.004 0.000 0.962 689 T HN 0.575 nan 8.240 nan 0.000 0.516 690 D N 3.921 124.334 120.400 0.021 0.000 2.382 690 D HA 0.148 4.660 4.640 -0.213 0.000 0.245 690 D C 0.632 176.952 176.300 0.033 0.000 1.120 690 D CA 0.301 54.318 54.000 0.029 0.000 0.890 690 D CB 1.221 42.051 40.800 0.050 0.000 1.201 690 D HN 0.411 nan 8.370 nan 0.000 0.433 691 T N -1.235 113.334 114.554 0.024 0.000 2.916 691 T HA 0.441 4.663 4.350 -0.213 0.000 0.303 691 T C 0.076 174.810 174.700 0.057 0.000 1.025 691 T CA -0.937 61.182 62.100 0.031 0.000 1.142 691 T CB 1.077 69.951 68.868 0.010 0.000 0.947 691 T HN 0.366 nan 8.240 nan 0.000 0.544 692 A N 2.140 125.011 122.820 0.085 0.000 2.312 692 A HA 0.904 5.097 4.320 -0.213 0.000 0.328 692 A C 0.117 177.801 177.584 0.167 0.000 1.158 692 A CA -0.524 51.598 52.037 0.141 0.000 0.821 692 A CB 0.843 19.950 19.000 0.179 0.000 1.170 692 A HN 1.739 nan 8.150 nan 0.000 0.490 693 A N 0.704 123.653 122.820 0.215 0.000 2.608 693 A HA 0.735 4.927 4.320 -0.213 0.000 0.292 693 A C -0.516 177.206 177.584 0.230 0.000 1.066 693 A CA -0.402 51.712 52.037 0.129 0.000 0.676 693 A CB 0.953 19.953 19.000 0.001 0.000 1.277 693 A HN 0.837 nan 8.150 nan 0.000 0.413 694 T N 1.928 116.600 114.554 0.195 0.000 2.771 694 T HA 0.507 4.729 4.350 -0.213 0.000 0.281 694 T C -0.075 174.633 174.700 0.014 0.000 0.982 694 T CA 0.077 62.271 62.100 0.158 0.000 0.978 694 T CB 0.885 69.878 68.868 0.209 0.000 0.930 694 T HN 0.603 nan 8.240 nan 0.000 0.447 695 T N 4.769 119.335 114.554 0.021 0.000 2.751 695 T HA 0.169 4.391 4.350 -0.213 0.000 0.290 695 T C 1.734 176.426 174.700 -0.013 0.000 0.919 695 T CA -0.154 61.941 62.100 -0.007 0.000 1.136 695 T CB -0.009 68.868 68.868 0.016 0.000 0.875 695 T HN 0.453 nan 8.240 nan 0.000 0.532 696 I N 1.713 122.207 120.570 -0.126 0.000 2.394 696 I HA -0.007 4.035 4.170 -0.213 0.000 0.251 696 I C 1.026 177.128 176.117 -0.025 0.000 1.136 696 I CA 1.146 62.300 61.300 -0.243 0.000 1.425 696 I CB 0.246 37.910 38.000 -0.561 0.000 1.079 696 I HN 0.536 nan 8.210 nan 0.000 0.425 697 D N -0.708 119.671 120.400 -0.036 0.000 2.706 697 D HA 0.186 4.698 4.640 -0.213 0.000 0.227 697 D C -1.410 174.889 176.300 -0.002 0.000 1.233 697 D CA -0.411 53.620 54.000 0.051 0.000 0.768 697 D CB 1.531 42.386 40.800 0.091 0.000 1.490 697 D HN -0.077 nan 8.370 nan 0.000 0.458 698 Q N 2.756 122.571 119.800 0.025 0.000 2.786 698 Q HA 0.331 4.543 4.340 -0.213 0.000 0.240 698 Q C -1.392 174.745 176.000 0.228 0.000 0.928 698 Q CA -0.676 55.176 55.803 0.082 0.000 0.721 698 Q CB 1.080 29.811 28.738 -0.010 0.000 1.318 698 Q HN 0.208 nan 8.270 nan 0.000 0.474 699 R N 2.359 122.994 120.500 0.226 0.000 2.265 699 R HA 0.291 4.503 4.340 -0.213 0.000 0.319 699 R C -0.849 175.529 176.300 0.131 0.000 1.006 699 R CA -0.266 55.999 56.100 0.275 0.000 0.880 699 R CB 0.977 31.355 30.300 0.129 0.000 1.077 699 R HN 0.333 nan 8.270 nan 0.000 0.454 700 K N 4.637 124.947 120.400 -0.150 0.000 2.298 700 K HA 0.218 4.410 4.320 -0.213 0.000 0.280 700 K C -0.704 175.667 176.600 -0.380 0.000 1.032 700 K CA -0.258 55.506 56.287 -0.873 0.000 0.958 700 K CB 0.514 32.300 32.500 -1.190 0.000 0.978 700 K HN 0.509 nan 8.250 nan 0.000 0.472 701 L N 2.789 123.791 121.223 -0.369 0.000 2.332 701 L HA 0.420 4.632 4.340 -0.213 0.000 0.269 701 L C -0.218 176.541 176.870 -0.186 0.000 1.016 701 L CA -0.908 53.830 54.840 -0.170 0.000 0.809 701 L CB 1.624 43.623 42.059 -0.099 0.000 1.280 701 L HN 0.649 nan 8.230 nan 0.000 0.447 702 E N -0.396 119.712 120.200 -0.154 0.000 2.145 702 E HA 0.165 4.387 4.350 -0.213 0.000 0.270 702 E C 0.446 176.981 176.600 -0.110 0.000 0.906 702 E CA -0.296 56.028 56.400 -0.127 0.000 0.761 702 E CB 1.759 31.387 29.700 -0.120 0.000 1.116 702 E HN 0.675 nan 8.360 nan 0.000 0.408 703 S N 1.599 117.251 115.700 -0.080 0.000 2.392 703 S HA -0.289 4.053 4.470 -0.213 0.000 0.232 703 S C 1.950 176.515 174.600 -0.059 0.000 1.041 703 S CA 1.711 59.876 58.200 -0.060 0.000 1.026 703 S CB -0.377 62.800 63.200 -0.039 0.000 0.845 703 S HN 0.556 nan 8.310 nan 0.000 0.465 704 S N 1.106 116.771 115.700 -0.058 0.000 2.555 704 S HA 0.092 4.434 4.470 -0.213 0.000 0.230 704 S C 0.581 175.136 174.600 -0.074 0.000 0.978 704 S CA 0.138 58.307 58.200 -0.051 0.000 0.934 704 S CB -0.340 62.841 63.200 -0.032 0.000 0.766 704 S HN 0.431 nan 8.310 nan 0.000 0.533 705 N N 2.419 121.047 118.700 -0.120 0.000 2.725 705 N HA 0.358 4.970 4.740 -0.213 0.000 0.248 705 N C -3.211 172.138 175.510 -0.267 0.000 1.402 705 N CA -1.022 51.920 53.050 -0.181 0.000 0.766 705 N CB 1.776 40.135 38.487 -0.214 0.000 1.223 705 N HN 0.285 nan 8.380 nan 0.000 0.515 706 P HA 0.146 nan 4.420 nan 0.000 0.271 706 P C -0.685 176.528 177.300 -0.144 0.000 1.216 706 P CA 0.110 63.128 63.100 -0.137 0.000 0.776 706 P CB 0.626 32.292 31.700 -0.056 0.000 0.881 707 Y N 0.988 121.264 120.300 -0.040 0.000 2.316 707 Y HA 0.240 4.662 4.550 -0.213 0.000 0.331 707 Y C 1.391 177.268 175.900 -0.039 0.000 1.083 707 Y CA 0.018 58.092 58.100 -0.042 0.000 1.206 707 Y CB 1.002 39.422 38.460 -0.067 0.000 1.195 707 Y HN 0.189 nan 8.280 nan 0.000 0.497 708 K N 2.929 123.423 120.400 0.157 0.000 2.258 708 K HA 0.459 4.651 4.320 -0.213 0.000 0.284 708 K C -1.229 175.372 176.600 0.001 0.000 1.051 708 K CA -0.329 55.975 56.287 0.028 0.000 0.923 708 K CB 0.748 33.265 32.500 0.029 0.000 1.046 708 K HN 0.449 nan 8.250 nan 0.000 0.474 709 V N 5.318 125.141 119.914 -0.151 0.000 2.513 709 V HA 0.347 4.339 4.120 -0.213 0.000 0.299 709 V C -1.110 174.858 176.094 -0.211 0.000 1.035 709 V CA -0.755 61.483 62.300 -0.102 0.000 0.889 709 V CB 1.028 32.786 31.823 -0.107 0.000 0.988 709 V HN 0.594 nan 8.190 nan 0.000 0.440 710 Y N 2.596 122.898 120.300 0.003 0.000 2.409 710 Y HA 0.712 5.134 4.550 -0.213 0.000 0.343 710 Y C -0.123 175.771 175.900 -0.010 0.000 0.973 710 Y CA -0.989 57.131 58.100 0.033 0.000 1.064 710 Y CB 2.168 40.699 38.460 0.118 0.000 1.207 710 Y HN 0.337 nan 8.280 nan 0.000 0.452 711 V N 2.879 122.849 119.914 0.093 0.000 2.604 711 V HA 0.260 4.253 4.120 -0.213 0.000 0.305 711 V C -0.103 176.067 176.094 0.126 0.000 1.043 711 V CA -1.419 60.907 62.300 0.043 0.000 0.888 711 V CB 1.597 33.323 31.823 -0.161 0.000 0.995 711 V HN 0.918 nan 8.190 nan 0.000 0.429 712 N N 3.065 121.860 118.700 0.158 0.000 2.677 712 N HA -0.249 4.363 4.740 -0.213 0.000 0.249 712 N C 0.505 176.106 175.510 0.152 0.000 1.073 712 N CA 1.607 54.753 53.050 0.160 0.000 0.737 712 N CB -0.764 37.796 38.487 0.120 0.000 0.999 712 N HN 1.054 nan 8.380 nan 0.000 0.543 713 D N -2.427 118.092 120.400 0.198 0.000 3.044 713 D HA -0.145 4.367 4.640 -0.213 0.000 0.206 713 D C -0.770 175.693 176.300 0.272 0.000 1.053 713 D CA 1.115 55.222 54.000 0.177 0.000 0.990 713 D CB -0.819 40.024 40.800 0.072 0.000 1.078 713 D HN 0.586 nan 8.370 nan 0.000 0.433 714 K N 0.790 121.351 120.400 0.268 0.000 2.270 714 K HA 0.382 4.574 4.320 -0.213 0.000 0.255 714 K C -0.119 176.554 176.600 0.120 0.000 0.936 714 K CA -0.798 55.608 56.287 0.199 0.000 0.809 714 K CB 1.865 34.433 32.500 0.114 0.000 1.131 714 K HN 0.138 nan 8.250 nan 0.000 0.427 715 E N 1.894 122.075 120.200 -0.031 0.000 2.465 715 E HA 0.100 4.322 4.350 -0.213 0.000 0.260 715 E C -1.022 175.513 176.600 -0.108 0.000 0.980 715 E CA -0.157 56.092 56.400 -0.253 0.000 0.927 715 E CB 0.598 30.134 29.700 -0.272 0.000 0.934 715 E HN 0.593 nan 8.360 nan 0.000 0.459 716 A N 3.494 126.236 122.820 -0.128 0.000 2.350 716 A HA 0.666 4.858 4.320 -0.213 0.000 0.318 716 A C -1.079 176.481 177.584 -0.040 0.000 1.132 716 A CA -0.660 51.357 52.037 -0.033 0.000 0.811 716 A CB 1.840 20.803 19.000 -0.063 0.000 1.313 716 A HN 0.614 nan 8.150 nan 0.000 0.454 717 S N 0.499 116.211 115.700 0.021 0.000 2.594 717 S HA 0.631 4.973 4.470 -0.213 0.000 0.296 717 S C -0.714 173.910 174.600 0.040 0.000 1.124 717 S CA -0.554 57.651 58.200 0.007 0.000 1.011 717 S CB 0.847 64.045 63.200 -0.002 0.000 1.016 717 S HN 0.585 nan 8.310 nan 0.000 0.485 718 L N 2.815 124.054 121.223 0.026 0.000 2.399 718 L HA 0.702 4.914 4.340 -0.213 0.000 0.265 718 L C 0.568 177.455 176.870 0.028 0.000 1.089 718 L CA -0.469 54.397 54.840 0.043 0.000 0.802 718 L CB 1.689 43.762 42.059 0.024 0.000 1.180 718 L HN 0.897 nan 8.230 nan 0.000 0.454 719 T N -3.569 111.001 114.554 0.027 0.000 2.887 719 T HA 0.279 4.501 4.350 -0.213 0.000 0.292 719 T C 0.618 175.324 174.700 0.009 0.000 1.087 719 T CA -0.871 61.236 62.100 0.012 0.000 1.009 719 T CB 1.988 70.858 68.868 0.003 0.000 1.203 719 T HN 0.491 nan 8.240 nan 0.000 0.518 720 E N 0.102 120.304 120.200 0.003 0.000 2.097 720 E HA -0.161 4.062 4.350 -0.213 0.000 0.196 720 E C 0.756 177.353 176.600 -0.005 0.000 1.000 720 E CA 1.291 57.692 56.400 0.001 0.000 0.804 720 E CB -0.030 29.669 29.700 -0.002 0.000 0.740 720 E HN 0.609 nan 8.360 nan 0.000 0.454 721 Q N 1.742 121.536 119.800 -0.010 0.000 2.286 721 Q HA -0.009 4.203 4.340 -0.213 0.000 0.267 721 Q C -0.812 175.177 176.000 -0.018 0.000 1.028 721 Q CA 0.113 55.905 55.803 -0.019 0.000 0.901 721 Q CB 0.643 29.367 28.738 -0.024 0.000 1.183 721 Q HN -0.064 nan 8.270 nan 0.000 0.392 722 E N 3.218 123.404 120.200 -0.023 0.000 2.966 722 E HA -0.160 4.062 4.350 -0.213 0.000 0.254 722 E C -1.019 175.550 176.600 -0.053 0.000 0.923 722 E CA 0.994 57.377 56.400 -0.028 0.000 0.960 722 E CB 0.355 30.032 29.700 -0.038 0.000 0.901 722 E HN 0.396 nan 8.360 nan 0.000 0.525 723 K N 3.539 123.904 120.400 -0.058 0.000 2.316 723 K HA 0.295 4.487 4.320 -0.213 0.000 0.251 723 K C -1.293 175.123 176.600 -0.308 0.000 0.934 723 K CA -0.990 55.182 56.287 -0.193 0.000 0.802 723 K CB 1.369 33.718 32.500 -0.251 0.000 1.171 723 K HN 0.458 nan 8.250 nan 0.000 0.426 724 D N 1.411 121.577 120.400 -0.389 0.000 2.210 724 D HA 0.193 4.705 4.640 -0.213 0.000 0.249 724 D C -0.913 175.065 176.300 -0.535 0.000 1.062 724 D CA 0.122 53.937 54.000 -0.307 0.000 0.891 724 D CB 0.747 41.435 40.800 -0.186 0.000 1.186 724 D HN 0.349 nan 8.370 nan 0.000 0.432 725 Y N 1.690 121.932 120.300 -0.096 0.000 2.705 725 Y HA 0.243 4.665 4.550 -0.213 0.000 0.355 725 Y C -2.054 173.776 175.900 -0.116 0.000 1.039 725 Y CA -1.858 56.185 58.100 -0.095 0.000 1.233 725 Y CB 1.388 39.789 38.460 -0.098 0.000 1.103 725 Y HN 0.148 nan 8.280 nan 0.000 0.624 726 P HA 0.055 nan 4.420 nan 0.000 0.277 726 P C -0.091 177.199 177.300 -0.016 0.000 1.271 726 P CA -0.069 63.010 63.100 -0.036 0.000 0.795 726 P CB 0.888 32.561 31.700 -0.044 0.000 1.101 727 E N -2.190 117.994 120.200 -0.027 0.000 2.269 727 E HA -0.149 4.073 4.350 -0.213 0.000 0.223 727 E C -0.581 176.017 176.600 -0.004 0.000 1.244 727 E CA 0.998 57.393 56.400 -0.008 0.000 0.713 727 E CB -2.644 27.063 29.700 0.011 0.000 1.178 727 E HN 0.409 nan 8.360 nan 0.000 0.370 728 T N 0.714 115.227 114.554 -0.069 0.000 2.723 728 T HA 0.225 4.447 4.350 -0.213 0.000 0.297 728 T C 1.330 176.008 174.700 -0.036 0.000 0.925 728 T CA -0.182 61.861 62.100 -0.095 0.000 1.030 728 T CB 1.260 69.954 68.868 -0.290 0.000 0.905 728 T HN 0.159 nan 8.240 nan 0.000 0.502 729 Q N 2.675 122.560 119.800 0.142 0.000 2.354 729 Q HA 0.119 4.331 4.340 -0.213 0.000 0.203 729 Q C 0.490 176.809 176.000 0.533 0.000 0.933 729 Q CA 0.199 56.184 55.803 0.304 0.000 0.901 729 Q CB 0.482 29.383 28.738 0.272 0.000 1.007 729 Q HN 0.766 nan 8.270 nan 0.000 0.495 730 S N -2.153 113.844 115.700 0.495 0.000 2.543 730 S HA 0.642 4.984 4.470 -0.213 0.000 0.274 730 S C -1.255 173.628 174.600 0.471 0.000 1.149 730 S CA -1.018 57.546 58.200 0.607 0.000 0.866 730 S CB 1.637 65.204 63.200 0.611 0.000 1.111 730 S HN -0.094 nan 8.310 nan 0.000 0.457 731 V N 2.546 122.747 119.914 0.478 0.000 2.656 731 V HA 0.773 4.765 4.120 -0.213 0.000 0.307 731 V C -1.411 174.802 176.094 0.198 0.000 1.051 731 V CA -0.606 61.858 62.300 0.273 0.000 0.893 731 V CB 1.699 33.613 31.823 0.151 0.000 0.999 731 V HN 0.925 nan 8.190 nan 0.000 0.426 732 F N 4.893 124.806 119.950 -0.062 0.000 2.557 732 F HA 0.675 5.074 4.527 -0.213 0.000 0.316 732 F C -0.978 174.774 175.800 -0.081 0.000 1.141 732 F CA -0.660 57.165 58.000 -0.292 0.000 0.922 732 F CB 1.533 40.233 39.000 -0.500 0.000 1.194 732 F HN 0.291 nan 8.300 nan 0.000 0.443 733 L N 5.678 126.353 121.223 -0.914 0.000 2.276 733 L HA 0.427 4.639 4.340 -0.213 0.000 0.286 733 L C -0.547 175.890 176.870 -0.721 0.000 1.024 733 L CA -0.467 53.936 54.840 -0.729 0.000 0.826 733 L CB 1.538 42.974 42.059 -1.039 0.000 1.211 733 L HN 0.615 nan 8.230 nan 0.000 0.422 734 E N 2.895 123.073 120.200 -0.036 0.000 2.092 734 E HA 0.295 4.517 4.350 -0.213 0.000 0.271 734 E C -0.808 175.978 176.600 0.310 0.000 0.919 734 E CA -0.209 56.330 56.400 0.232 0.000 0.760 734 E CB 1.632 31.661 29.700 0.549 0.000 1.106 734 E HN 0.518 nan 8.360 nan 0.000 0.408 735 S N 2.232 118.063 115.700 0.219 0.000 2.713 735 S HA 0.162 4.504 4.470 -0.213 0.000 0.283 735 S C 1.258 175.891 174.600 0.054 0.000 1.161 735 S CA 0.048 58.266 58.200 0.030 0.000 0.999 735 S CB 1.323 64.469 63.200 -0.089 0.000 1.039 735 S HN 0.619 nan 8.310 nan 0.000 0.548 736 S N 0.970 116.673 115.700 0.006 0.000 2.419 736 S HA -0.053 4.289 4.470 -0.213 0.000 0.233 736 S C 0.388 175.005 174.600 0.027 0.000 1.016 736 S CA 0.730 58.944 58.200 0.023 0.000 0.974 736 S CB -0.410 62.793 63.200 0.004 0.000 0.786 736 S HN 0.743 nan 8.310 nan 0.000 0.492 737 D N 1.079 121.486 120.400 0.013 0.000 2.359 737 D HA 0.427 4.939 4.640 -0.213 0.000 0.230 737 D C 0.726 177.059 176.300 0.055 0.000 1.118 737 D CA -0.170 53.848 54.000 0.029 0.000 0.844 737 D CB 1.471 42.279 40.800 0.014 0.000 1.059 737 D HN 0.030 nan 8.370 nan 0.000 0.493 738 S N 2.884 118.626 115.700 0.070 0.000 2.407 738 S HA -0.179 4.163 4.470 -0.213 0.000 0.235 738 S C 1.466 176.116 174.600 0.084 0.000 1.036 738 S CA 1.136 59.388 58.200 0.088 0.000 1.013 738 S CB 0.062 63.311 63.200 0.081 0.000 0.820 738 S HN 0.396 nan 8.310 nan 0.000 0.476 739 K N 1.018 121.466 120.400 0.080 0.000 2.555 739 K HA 0.136 4.328 4.320 -0.213 0.000 0.193 739 K C 1.155 177.809 176.600 0.089 0.000 1.032 739 K CA 0.586 56.930 56.287 0.094 0.000 1.004 739 K CB -0.070 32.493 32.500 0.105 0.000 0.804 739 K HN 0.378 nan 8.250 nan 0.000 0.496 740 K N -0.011 120.434 120.400 0.074 0.000 2.374 740 K HA 0.137 4.329 4.320 -0.213 0.000 0.202 740 K C -0.179 176.514 176.600 0.156 0.000 1.040 740 K CA -0.268 56.077 56.287 0.097 0.000 1.085 740 K CB 0.513 33.031 32.500 0.030 0.000 0.873 740 K HN -0.025 nan 8.250 nan 0.000 0.539 741 N N 1.413 120.142 118.700 0.049 0.000 2.525 741 N HA 0.238 4.850 4.740 -0.213 0.000 0.271 741 N C -0.613 174.703 175.510 -0.323 0.000 1.194 741 N CA 0.263 53.234 53.050 -0.133 0.000 0.964 741 N CB 0.772 39.211 38.487 -0.081 0.000 1.126 741 N HN 0.027 nan 8.380 nan 0.000 0.452 742 I N 0.158 120.331 120.570 -0.661 0.000 2.534 742 I HA 0.368 4.410 4.170 -0.213 0.000 0.286 742 I C 0.335 175.856 176.117 -0.994 0.000 1.094 742 I CA -0.820 60.049 61.300 -0.718 0.000 1.055 742 I CB 2.104 39.735 38.000 -0.615 0.000 1.225 742 I HN 0.381 nan 8.210 nan 0.000 0.435 743 G N 4.845 113.157 108.800 -0.814 0.000 2.400 743 G HA2 0.701 4.533 3.960 -0.213 0.000 0.333 743 G HA3 0.701 4.533 3.960 -0.213 0.000 0.333 743 G C -1.636 172.940 174.900 -0.540 0.000 1.143 743 G CA -0.329 44.319 45.100 -0.753 0.000 0.914 743 G HN 0.426 nan 8.290 nan 0.000 0.480 744 Y N 0.896 121.188 120.300 -0.013 0.000 2.349 744 Y HA 0.379 4.801 4.550 -0.213 0.000 0.324 744 Y C -0.824 175.102 175.900 0.044 0.000 1.005 744 Y CA -1.427 56.609 58.100 -0.107 0.000 1.240 744 Y CB 1.748 39.972 38.460 -0.393 0.000 1.117 744 Y HN 0.496 nan 8.280 nan 0.000 0.463 745 F N 5.029 124.941 119.950 -0.064 0.000 2.371 745 F HA 0.582 4.981 4.527 -0.213 0.000 0.363 745 F C -1.258 174.248 175.800 -0.490 0.000 1.122 745 F CA -2.295 55.596 58.000 -0.181 0.000 1.129 745 F CB 0.088 38.924 39.000 -0.273 0.000 1.173 745 F HN 0.277 nan 8.300 nan 0.000 0.489 746 F N 7.799 127.517 119.950 -0.385 0.000 2.413 746 F HA 0.232 4.631 4.527 -0.213 0.000 0.359 746 F C 0.688 176.006 175.800 -0.805 0.000 1.122 746 F CA -0.358 57.343 58.000 -0.499 0.000 1.160 746 F CB 0.049 38.979 39.000 -0.116 0.000 1.146 746 F HN 0.447 nan 8.300 nan 0.000 0.514 747 F N 0.979 120.624 119.950 -0.509 0.000 2.126 747 F HA -0.123 4.276 4.527 -0.213 0.000 0.299 747 F C 1.234 176.957 175.800 -0.129 0.000 1.096 747 F CA 1.175 58.897 58.000 -0.464 0.000 1.255 747 F CB -0.414 38.441 39.000 -0.241 0.000 0.997 747 F HN 0.176 nan 8.300 nan 0.000 0.479 748 K N 0.431 120.922 120.400 0.151 0.000 2.244 748 K HA 0.217 4.409 4.320 -0.213 0.000 0.260 748 K C -0.358 176.314 176.600 0.120 0.000 0.951 748 K CA -0.641 55.724 56.287 0.131 0.000 0.826 748 K CB 1.048 33.625 32.500 0.127 0.000 1.108 748 K HN -0.179 nan 8.250 nan 0.000 0.433 749 K N 1.790 122.246 120.400 0.094 0.000 2.477 749 K HA -0.019 4.173 4.320 -0.213 0.000 0.275 749 K C -0.442 176.157 176.600 -0.001 0.000 1.054 749 K CA 0.734 57.051 56.287 0.051 0.000 1.135 749 K CB 0.061 32.589 32.500 0.047 0.000 0.854 749 K HN 0.523 nan 8.250 nan 0.000 0.484 750 S N 1.142 116.770 115.700 -0.120 0.000 2.570 750 S HA 0.198 4.540 4.470 -0.213 0.000 0.286 750 S C -0.632 173.817 174.600 -0.252 0.000 1.099 750 S CA -0.793 57.306 58.200 -0.167 0.000 0.913 750 S CB 2.123 65.192 63.200 -0.218 0.000 1.085 750 S HN 0.509 nan 8.310 nan 0.000 0.480 751 S N 1.948 117.547 115.700 -0.167 0.000 2.410 751 S HA 0.623 4.965 4.470 -0.213 0.000 0.304 751 S C -0.330 174.161 174.600 -0.182 0.000 1.095 751 S CA -0.718 57.395 58.200 -0.145 0.000 1.089 751 S CB -0.971 62.177 63.200 -0.088 0.000 0.968 751 S HN 0.558 nan 8.310 nan 0.000 0.480 752 I N 2.295 122.753 120.570 -0.186 0.000 3.002 752 I HA 0.902 4.944 4.170 -0.213 0.000 0.310 752 I C -0.458 175.623 176.117 -0.059 0.000 1.087 752 I CA -0.791 60.401 61.300 -0.180 0.000 1.017 752 I CB 2.389 40.194 38.000 -0.324 0.000 1.226 752 I HN 0.510 nan 8.210 nan 0.000 0.443 753 S N 4.466 120.133 115.700 -0.054 0.000 2.570 753 S HA 0.848 5.191 4.470 -0.213 0.000 0.286 753 S C -0.871 173.740 174.600 0.020 0.000 1.099 753 S CA -0.817 57.394 58.200 0.018 0.000 0.913 753 S CB 1.787 64.963 63.200 -0.040 0.000 1.085 753 S HN 0.776 nan 8.310 nan 0.000 0.480 754 M N 2.301 121.961 119.600 0.101 0.000 2.484 754 M HA 0.590 4.942 4.480 -0.213 0.000 0.289 754 M C -0.914 175.421 176.300 0.059 0.000 1.206 754 M CA -0.566 54.760 55.300 0.043 0.000 0.892 754 M CB 2.614 35.212 32.600 -0.003 0.000 1.712 754 M HN 0.995 nan 8.290 nan 0.000 0.462 755 S N 1.296 117.005 115.700 0.015 0.000 2.638 755 S HA 0.805 5.148 4.470 -0.213 0.000 0.274 755 S C -1.578 173.032 174.600 0.016 0.000 1.157 755 S CA -0.878 57.332 58.200 0.017 0.000 0.826 755 S CB 3.016 66.218 63.200 0.003 0.000 1.139 755 S HN 0.793 nan 8.310 nan 0.000 0.474 756 K N 0.695 121.108 120.400 0.023 0.000 2.615 756 K HA 0.704 4.896 4.320 -0.213 0.000 0.249 756 K C -1.557 175.063 176.600 0.033 0.000 0.977 756 K CA -0.528 55.779 56.287 0.034 0.000 0.833 756 K CB 1.413 33.929 32.500 0.027 0.000 1.208 756 K HN 1.177 nan 8.250 nan 0.000 0.443 757 A N 3.631 126.482 122.820 0.052 0.000 2.574 757 A HA 0.494 4.686 4.320 -0.213 0.000 0.297 757 A C -1.999 175.626 177.584 0.069 0.000 1.062 757 A CA -0.799 51.264 52.037 0.043 0.000 0.686 757 A CB 1.417 20.433 19.000 0.026 0.000 1.285 757 A HN 0.634 nan 8.150 nan 0.000 0.403 758 L N 1.160 122.410 121.223 0.046 0.000 2.367 758 L HA 0.444 4.656 4.340 -0.213 0.000 0.275 758 L C 0.081 176.983 176.870 0.054 0.000 1.129 758 L CA 1.006 55.878 54.840 0.053 0.000 0.839 758 L CB 0.649 42.722 42.059 0.024 0.000 1.133 758 L HN 0.716 nan 8.230 nan 0.000 0.453 759 Q N 4.488 124.342 119.800 0.090 0.000 2.337 759 Q HA 0.525 4.737 4.340 -0.213 0.000 0.270 759 Q C -1.141 174.863 176.000 0.007 0.000 1.043 759 Q CA -0.844 54.972 55.803 0.022 0.000 0.794 759 Q CB 2.370 31.069 28.738 -0.066 0.000 1.281 759 Q HN 0.481 nan 8.270 nan 0.000 0.446 760 K N 0.534 120.916 120.400 -0.031 0.000 2.318 760 K HA 0.889 5.081 4.320 -0.213 0.000 0.249 760 K C -0.506 176.057 176.600 -0.062 0.000 0.942 760 K CA -0.640 55.627 56.287 -0.032 0.000 0.808 760 K CB 2.218 34.709 32.500 -0.014 0.000 1.189 760 K HN 0.742 nan 8.250 nan 0.000 0.428 761 G N -0.020 108.738 108.800 -0.070 0.000 2.340 761 G HA2 0.594 4.426 3.960 -0.213 0.000 0.299 761 G HA3 0.594 4.426 3.960 -0.213 0.000 0.299 761 G C -1.921 172.932 174.900 -0.078 0.000 1.291 761 G CA -0.521 44.532 45.100 -0.078 0.000 0.841 761 G HN 0.630 nan 8.290 nan 0.000 0.500 762 A N -1.453 121.329 122.820 -0.063 0.000 2.413 762 A HA 0.653 4.845 4.320 -0.213 0.000 0.307 762 A C 0.229 177.811 177.584 -0.003 0.000 1.087 762 A CA -0.577 51.459 52.037 -0.002 0.000 0.750 762 A CB 0.907 19.942 19.000 0.059 0.000 1.296 762 A HN 0.862 nan 8.150 nan 0.000 0.423 763 W N 0.858 122.177 121.300 0.031 0.000 2.350 763 W HA -0.149 4.384 4.660 -0.212 0.000 0.289 763 W C 2.163 178.692 176.519 0.015 0.000 1.215 763 W CA 1.919 59.284 57.345 0.034 0.000 1.236 763 W CB 0.235 29.723 29.460 0.047 0.000 1.130 763 W HN 0.819 nan 8.180 nan 0.000 0.541 764 K N 0.569 121.108 120.400 0.231 0.000 2.147 764 K HA -0.203 3.989 4.320 -0.213 0.000 0.205 764 K C 1.377 178.021 176.600 0.073 0.000 1.049 764 K CA 1.845 58.213 56.287 0.134 0.000 0.936 764 K CB -0.300 32.259 32.500 0.099 0.000 0.722 764 K HN -0.012 nan 8.250 nan 0.000 0.446 765 D N 0.801 121.224 120.400 0.038 0.000 2.172 765 D HA -0.211 4.301 4.640 -0.213 0.000 0.196 765 D C 1.756 178.030 176.300 -0.043 0.000 0.999 765 D CA 1.806 55.799 54.000 -0.012 0.000 0.856 765 D CB -0.073 40.697 40.800 -0.050 0.000 0.934 765 D HN 0.612 nan 8.370 nan 0.000 0.453 766 I N -4.128 116.424 120.570 -0.029 0.000 4.181 766 I HA 0.215 4.257 4.170 -0.213 0.000 0.331 766 I C 0.166 176.294 176.117 0.019 0.000 1.312 766 I CA -0.238 61.021 61.300 -0.067 0.000 1.146 766 I CB 0.493 38.421 38.000 -0.119 0.000 1.074 766 I HN -0.247 nan 8.210 nan 0.000 0.402 767 N N 2.121 120.877 118.700 0.093 0.000 2.581 767 N HA 0.066 4.678 4.740 -0.213 0.000 0.279 767 N C 0.524 176.094 175.510 0.099 0.000 1.124 767 N CA -0.058 53.058 53.050 0.109 0.000 0.833 767 N CB 1.645 40.213 38.487 0.135 0.000 1.338 767 N HN 0.126 nan 8.380 nan 0.000 0.533 768 E N 2.846 123.098 120.200 0.085 0.000 2.164 768 E HA -0.163 4.060 4.350 -0.213 0.000 0.206 768 E C 1.421 178.059 176.600 0.063 0.000 1.032 768 E CA 2.284 58.727 56.400 0.072 0.000 0.832 768 E CB -0.509 29.233 29.700 0.071 0.000 0.742 768 E HN 0.743 nan 8.360 nan 0.000 0.460 769 G N -0.159 108.677 108.800 0.059 0.000 2.776 769 G HA2 -0.104 3.728 3.960 -0.213 0.000 0.209 769 G HA3 -0.104 3.728 3.960 -0.213 0.000 0.209 769 G C 0.393 175.319 174.900 0.044 0.000 1.145 769 G CA -0.040 45.088 45.100 0.048 0.000 0.791 769 G HN 0.116 nan 8.290 nan 0.000 0.530 770 Q N -0.071 119.769 119.800 0.066 0.000 2.195 770 Q HA 0.371 4.583 4.340 -0.213 0.000 0.250 770 Q C 0.115 176.164 176.000 0.081 0.000 0.988 770 Q CA -0.529 55.316 55.803 0.069 0.000 0.911 770 Q CB 1.262 30.084 28.738 0.140 0.000 1.258 770 Q HN 0.116 nan 8.270 nan 0.000 0.475 771 S N 0.672 116.418 115.700 0.078 0.000 2.562 771 S HA -0.021 4.321 4.470 -0.213 0.000 0.281 771 S C 0.360 175.038 174.600 0.129 0.000 1.333 771 S CA -0.147 58.103 58.200 0.084 0.000 1.052 771 S CB 0.260 63.499 63.200 0.064 0.000 0.884 771 S HN 0.576 nan 8.310 nan 0.000 0.506 772 D N 2.589 123.043 120.400 0.090 0.000 2.349 772 D HA 0.060 4.573 4.640 -0.213 0.000 0.214 772 D C 0.370 176.718 176.300 0.081 0.000 1.063 772 D CA -0.122 53.928 54.000 0.083 0.000 0.847 772 D CB -0.250 40.582 40.800 0.054 0.000 0.933 772 D HN 0.513 nan 8.370 nan 0.000 0.513 773 K N 1.410 121.866 120.400 0.094 0.000 2.511 773 K HA -0.082 4.111 4.320 -0.213 0.000 0.280 773 K C 0.347 177.004 176.600 0.094 0.000 1.008 773 K CA -0.098 56.242 56.287 0.089 0.000 1.050 773 K CB 0.394 32.954 32.500 0.099 0.000 0.889 773 K HN 0.039 nan 8.250 nan 0.000 0.484 774 E N 3.017 123.255 120.200 0.063 0.000 2.415 774 E HA 0.011 4.233 4.350 -0.213 0.000 0.263 774 E C -0.990 175.645 176.600 0.059 0.000 0.995 774 E CA -0.049 56.380 56.400 0.047 0.000 0.915 774 E CB 0.790 30.509 29.700 0.031 0.000 0.951 774 E HN 0.266 nan 8.360 nan 0.000 0.449 775 V N 4.162 124.101 119.914 0.041 0.000 2.815 775 V HA 0.365 4.358 4.120 -0.213 0.000 0.314 775 V C -0.338 175.764 176.094 0.013 0.000 1.064 775 V CA -0.537 61.791 62.300 0.046 0.000 0.952 775 V CB 2.019 33.878 31.823 0.060 0.000 1.020 775 V HN 0.782 nan 8.190 nan 0.000 0.439 776 E N 3.004 123.218 120.200 0.024 0.000 2.383 776 E HA 0.647 4.869 4.350 -0.213 0.000 0.275 776 E C -1.672 174.937 176.600 0.016 0.000 0.918 776 E CA -1.063 55.349 56.400 0.020 0.000 0.764 776 E CB 2.723 32.433 29.700 0.018 0.000 1.252 776 E HN 0.563 nan 8.360 nan 0.000 0.449 777 N N 0.879 119.601 118.700 0.036 0.000 2.598 777 N HA 0.172 4.785 4.740 -0.213 0.000 0.263 777 N C -1.593 173.904 175.510 -0.023 0.000 1.254 777 N CA -0.713 52.301 53.050 -0.060 0.000 0.863 777 N CB 2.331 40.683 38.487 -0.226 0.000 1.586 777 N HN 0.631 nan 8.380 nan 0.000 0.491 778 E N 0.374 120.481 120.200 -0.155 0.000 2.266 778 E HA 0.587 4.810 4.350 -0.213 0.000 0.277 778 E C -1.490 174.950 176.600 -0.267 0.000 1.018 778 E CA -0.071 56.283 56.400 -0.076 0.000 0.840 778 E CB 0.698 30.355 29.700 -0.073 0.000 1.082 778 E HN 0.303 nan 8.360 nan 0.000 0.395 779 F N 2.894 122.808 119.950 -0.061 0.000 2.588 779 F HA 0.400 4.799 4.527 -0.213 0.000 0.310 779 F C -1.087 174.690 175.800 -0.038 0.000 1.082 779 F CA -1.186 56.776 58.000 -0.062 0.000 0.929 779 F CB 1.535 40.472 39.000 -0.105 0.000 1.254 779 F HN 0.287 nan 8.300 nan 0.000 0.455 780 L N 2.287 123.601 121.223 0.151 0.000 2.333 780 L HA 0.739 4.951 4.340 -0.213 0.000 0.280 780 L C -0.823 176.074 176.870 0.045 0.000 1.004 780 L CA -0.306 54.574 54.840 0.066 0.000 0.820 780 L CB 1.213 43.286 42.059 0.024 0.000 1.247 780 L HN 0.557 nan 8.230 nan 0.000 0.416 781 T N 6.805 121.361 114.554 0.002 0.000 2.792 781 T HA 0.676 4.898 4.350 -0.213 0.000 0.280 781 T C -0.109 174.540 174.700 -0.086 0.000 0.990 781 T CA -0.127 61.953 62.100 -0.033 0.000 0.960 781 T CB 0.997 69.848 68.868 -0.028 0.000 0.939 781 T HN 0.517 nan 8.240 nan 0.000 0.439 782 I N 3.155 123.642 120.570 -0.139 0.000 2.418 782 I HA 0.490 4.532 4.170 -0.213 0.000 0.287 782 I C 0.059 176.072 176.117 -0.173 0.000 1.008 782 I CA -0.707 60.470 61.300 -0.205 0.000 1.104 782 I CB 1.729 39.497 38.000 -0.387 0.000 1.264 782 I HN 0.625 nan 8.210 nan 0.000 0.438 783 S N 4.843 120.457 115.700 -0.144 0.000 2.599 783 S HA 0.593 4.935 4.470 -0.213 0.000 0.287 783 S C -0.918 173.589 174.600 -0.155 0.000 1.105 783 S CA -0.893 57.229 58.200 -0.129 0.000 0.899 783 S CB 2.406 65.551 63.200 -0.091 0.000 1.100 783 S HN 0.669 nan 8.310 nan 0.000 0.482 784 Q N 0.949 120.643 119.800 -0.176 0.000 2.309 784 Q HA 0.638 4.850 4.340 -0.213 0.000 0.270 784 Q C -0.877 174.859 176.000 -0.440 0.000 1.023 784 Q CA -0.864 54.792 55.803 -0.245 0.000 0.758 784 Q CB 1.578 30.216 28.738 -0.167 0.000 1.247 784 Q HN 0.983 nan 8.270 nan 0.000 0.455 785 A N 3.937 126.556 122.820 -0.335 0.000 2.425 785 A HA 0.266 4.458 4.320 -0.213 0.000 0.249 785 A C -0.800 176.517 177.584 -0.445 0.000 1.084 785 A CA -0.124 51.737 52.037 -0.294 0.000 0.781 785 A CB 0.229 19.151 19.000 -0.130 0.000 1.019 785 A HN 0.819 nan 8.150 nan 0.000 0.490 786 H N 2.696 121.797 119.070 0.051 0.000 2.632 786 H HA 0.233 4.661 4.556 -0.213 0.000 0.258 786 H C 0.075 175.425 175.328 0.038 0.000 1.278 786 H CA -0.352 55.731 56.048 0.059 0.000 1.352 786 H CB 1.027 30.842 29.762 0.088 0.000 1.418 786 H HN 0.801 nan 8.280 nan 0.000 0.513 787 K N 0.666 121.124 120.400 0.097 0.000 2.305 787 K HA 0.018 4.210 4.320 -0.213 0.000 0.199 787 K C 0.466 177.100 176.600 0.056 0.000 1.047 787 K CA 0.584 56.907 56.287 0.059 0.000 0.976 787 K CB 0.584 33.099 32.500 0.025 0.000 0.765 787 K HN 0.348 nan 8.250 nan 0.000 0.474 788 Q N 0.633 120.472 119.800 0.065 0.000 2.306 788 Q HA 0.218 4.430 4.340 -0.213 0.000 0.265 788 Q C -0.886 175.135 176.000 0.037 0.000 1.022 788 Q CA -0.533 55.294 55.803 0.041 0.000 0.853 788 Q CB 1.461 30.219 28.738 0.033 0.000 1.327 788 Q HN 0.138 nan 8.270 nan 0.000 0.449 789 N N -0.159 118.550 118.700 0.015 0.000 2.441 789 N HA 0.281 4.894 4.740 -0.213 0.000 0.251 789 N C 0.718 176.220 175.510 -0.013 0.000 1.242 789 N CA 0.855 53.903 53.050 -0.004 0.000 0.898 789 N CB 0.300 38.778 38.487 -0.014 0.000 1.100 789 N HN 0.833 nan 8.380 nan 0.000 0.443 790 G N 0.167 108.944 108.800 -0.037 0.000 2.147 790 G HA2 -0.243 3.589 3.960 -0.213 0.000 0.244 790 G HA3 -0.243 3.589 3.960 -0.213 0.000 0.244 790 G C -0.386 174.494 174.900 -0.035 0.000 1.005 790 G CA -0.238 44.832 45.100 -0.049 0.000 0.713 790 G HN 0.585 nan 8.290 nan 0.000 0.515 791 D N -0.103 120.286 120.400 -0.019 0.000 2.377 791 D HA 0.710 5.222 4.640 -0.213 0.000 0.245 791 D C 0.372 176.664 176.300 -0.013 0.000 1.196 791 D CA 0.394 54.414 54.000 0.033 0.000 0.962 791 D CB 1.354 42.236 40.800 0.137 0.000 1.127 791 D HN 0.110 nan 8.370 nan 0.000 0.471 792 S N -0.808 114.932 115.700 0.067 0.000 2.564 792 S HA 0.578 4.920 4.470 -0.213 0.000 0.274 792 S C -1.547 173.172 174.600 0.197 0.000 1.124 792 S CA -0.714 57.496 58.200 0.017 0.000 0.869 792 S CB 0.855 64.062 63.200 0.012 0.000 1.105 792 S HN 0.381 nan 8.310 nan 0.000 0.472 793 Y N -1.109 119.311 120.300 0.200 0.000 2.581 793 Y HA 0.901 5.323 4.550 -0.213 0.000 0.345 793 Y C -0.281 175.777 175.900 0.264 0.000 1.036 793 Y CA -1.410 56.877 58.100 0.310 0.000 1.042 793 Y CB 1.294 40.024 38.460 0.450 0.000 1.289 793 Y HN 0.771 nan 8.280 nan 0.000 0.471 794 G N 2.148 111.348 108.800 0.667 0.000 2.167 794 G HA2 0.476 4.308 3.960 -0.213 0.000 0.300 794 G HA3 0.476 4.308 3.960 -0.213 0.000 0.300 794 G C -2.226 172.942 174.900 0.447 0.000 1.842 794 G CA -0.586 44.821 45.100 0.511 0.000 1.035 794 G HN 1.128 nan 8.290 nan 0.000 0.489 795 Y N -0.249 120.147 120.300 0.161 0.000 2.638 795 Y HA 0.865 5.288 4.550 -0.213 0.000 0.335 795 Y C -1.052 174.662 175.900 -0.311 0.000 1.155 795 Y CA -2.281 55.519 58.100 -0.500 0.000 1.046 795 Y CB 1.953 39.947 38.460 -0.776 0.000 1.303 795 Y HN 0.349 nan 8.280 nan 0.000 0.460 796 M N 3.536 122.893 119.600 -0.405 0.000 2.114 796 M HA 0.454 4.806 4.480 -0.213 0.000 0.332 796 M C -1.920 174.427 176.300 0.078 0.000 1.014 796 M CA -1.431 53.850 55.300 -0.032 0.000 0.956 796 M CB 1.111 33.714 32.600 0.005 0.000 1.551 796 M HN 0.762 nan 8.290 nan 0.000 0.427 797 L N 7.286 128.589 121.223 0.134 0.000 2.315 797 L HA 0.509 4.721 4.340 -0.213 0.000 0.283 797 L C -1.233 175.589 176.870 -0.081 0.000 1.089 797 L CA 0.613 55.434 54.840 -0.030 0.000 0.833 797 L CB -0.109 41.949 42.059 -0.002 0.000 1.170 797 L HN 0.684 nan 8.230 nan 0.000 0.442 798 I N 8.088 128.594 120.570 -0.106 0.000 2.464 798 I HA 0.349 4.392 4.170 -0.213 0.000 0.277 798 I C -2.269 173.738 176.117 -0.183 0.000 1.040 798 I CA -1.691 59.577 61.300 -0.052 0.000 1.153 798 I CB 1.137 39.253 38.000 0.195 0.000 1.274 798 I HN 0.481 nan 8.210 nan 0.000 0.469 799 P HA 0.329 nan 4.420 nan 0.000 0.278 799 P C -0.381 176.785 177.300 -0.223 0.000 1.258 799 P CA -0.309 62.537 63.100 -0.423 0.000 0.811 799 P CB 0.544 31.772 31.700 -0.788 0.000 1.063 800 N N -2.890 115.748 118.700 -0.105 0.000 2.725 800 N HA -0.118 4.495 4.740 -0.213 0.000 0.249 800 N C -0.299 175.258 175.510 0.079 0.000 1.103 800 N CA 1.260 54.330 53.050 0.034 0.000 0.707 800 N CB -2.141 36.428 38.487 0.138 0.000 1.043 800 N HN 0.403 nan 8.380 nan 0.000 0.553 801 V N -2.942 117.036 119.914 0.106 0.000 2.823 801 V HA 0.762 4.754 4.120 -0.213 0.000 0.312 801 V C 0.263 176.484 176.094 0.213 0.000 1.072 801 V CA -1.214 61.168 62.300 0.137 0.000 0.937 801 V CB 2.294 34.191 31.823 0.124 0.000 1.013 801 V HN 0.180 nan 8.190 nan 0.000 0.430 802 D N 2.919 123.395 120.400 0.127 0.000 2.360 802 D HA 0.109 4.622 4.640 -0.213 0.000 0.242 802 D C 1.114 177.343 176.300 -0.119 0.000 1.184 802 D CA -0.170 53.889 54.000 0.098 0.000 0.930 802 D CB 0.841 41.668 40.800 0.045 0.000 1.161 802 D HN 0.737 nan 8.370 nan 0.000 0.447 803 R N 0.567 120.857 120.500 -0.350 0.000 2.105 803 R HA -0.196 4.016 4.340 -0.213 0.000 0.239 803 R C 1.894 177.894 176.300 -0.500 0.000 1.135 803 R CA 1.695 57.236 56.100 -0.931 0.000 0.967 803 R CB -0.509 29.337 30.300 -0.758 0.000 0.861 803 R HN 0.597 nan 8.270 nan 0.000 0.442 804 A N -0.218 122.441 122.820 -0.268 0.000 1.897 804 A HA -0.081 4.112 4.320 -0.213 0.000 0.215 804 A C 2.146 179.640 177.584 -0.150 0.000 1.181 804 A CA 1.767 53.696 52.037 -0.180 0.000 0.620 804 A CB -0.742 18.188 19.000 -0.117 0.000 0.821 804 A HN 0.443 nan 8.150 nan 0.000 0.443 805 T N -0.450 114.036 114.554 -0.113 0.000 2.652 805 T HA -0.175 4.048 4.350 -0.213 0.000 0.267 805 T C 1.624 176.280 174.700 -0.074 0.000 1.039 805 T CA 1.626 63.681 62.100 -0.076 0.000 1.153 805 T CB -0.508 68.346 68.868 -0.024 0.000 0.863 805 T HN 0.448 nan 8.240 nan 0.000 0.428 806 F N 3.058 122.862 119.950 -0.244 0.000 2.087 806 F HA -0.265 4.134 4.527 -0.213 0.000 0.299 806 F C 2.099 177.729 175.800 -0.284 0.000 1.100 806 F CA 1.494 59.339 58.000 -0.258 0.000 1.226 806 F CB -0.498 38.270 39.000 -0.387 0.000 0.983 806 F HN 0.062 nan 8.300 nan 0.000 0.479 807 N N 0.254 118.796 118.700 -0.263 0.000 2.120 807 N HA -0.218 4.394 4.740 -0.213 0.000 0.188 807 N C 1.863 177.171 175.510 -0.336 0.000 1.024 807 N CA 1.503 54.362 53.050 -0.317 0.000 0.852 807 N CB -0.676 37.691 38.487 -0.199 0.000 1.003 807 N HN 0.418 nan 8.380 nan 0.000 0.424 808 Q N 0.473 120.120 119.800 -0.255 0.000 2.050 808 Q HA 0.066 4.279 4.340 -0.213 0.000 0.202 808 Q C 2.060 177.897 176.000 -0.272 0.000 0.980 808 Q CA 1.388 57.060 55.803 -0.220 0.000 0.840 808 Q CB -0.086 28.561 28.738 -0.152 0.000 0.898 808 Q HN 0.372 nan 8.270 nan 0.000 0.424 809 M N -0.039 119.376 119.600 -0.309 0.000 2.159 809 M HA -0.117 4.236 4.480 -0.213 0.000 0.263 809 M C 2.013 178.011 176.300 -0.503 0.000 1.063 809 M CA 1.251 56.357 55.300 -0.324 0.000 1.110 809 M CB -0.472 31.982 32.600 -0.244 0.000 1.374 809 M HN 0.403 nan 8.290 nan 0.000 0.411 810 I N -1.946 118.149 120.570 -0.792 0.000 2.614 810 I HA -0.164 3.878 4.170 -0.213 0.000 0.258 810 I C 1.665 177.310 176.117 -0.787 0.000 1.189 810 I CA 1.141 61.711 61.300 -1.215 0.000 1.462 810 I CB -0.517 36.468 38.000 -1.691 0.000 1.092 810 I HN 0.129 nan 8.210 nan 0.000 0.442 811 K N 1.865 121.989 120.400 -0.461 0.000 2.062 811 K HA -0.071 4.122 4.320 -0.213 0.000 0.205 811 K C 1.874 178.362 176.600 -0.186 0.000 1.051 811 K CA 1.333 57.460 56.287 -0.266 0.000 0.941 811 K CB -0.521 31.866 32.500 -0.187 0.000 0.719 811 K HN 0.480 nan 8.250 nan 0.000 0.440 812 E N 0.297 120.383 120.200 -0.190 0.000 2.171 812 E HA -0.142 4.080 4.350 -0.213 0.000 0.197 812 E C 1.084 177.628 176.600 -0.093 0.000 0.997 812 E CA 0.748 57.069 56.400 -0.131 0.000 0.810 812 E CB 0.083 29.702 29.700 -0.136 0.000 0.738 812 E HN -0.026 nan 8.360 nan 0.000 0.467 813 L N 0.100 121.261 121.223 -0.104 0.000 2.640 813 L HA 0.068 4.280 4.340 -0.213 0.000 0.230 813 L C 1.795 178.812 176.870 0.245 0.000 1.123 813 L CA 0.598 55.475 54.840 0.062 0.000 0.900 813 L CB -0.109 42.014 42.059 0.106 0.000 1.146 813 L HN 0.060 nan 8.230 nan 0.000 0.484 814 E N 0.393 120.662 120.200 0.115 0.000 2.164 814 E HA -0.245 3.978 4.350 -0.213 0.000 0.206 814 E C 1.285 178.038 176.600 0.254 0.000 1.032 814 E CA 2.261 58.790 56.400 0.216 0.000 0.832 814 E CB 0.041 29.790 29.700 0.081 0.000 0.742 814 E HN 0.228 nan 8.360 nan 0.000 0.460 815 S N -0.912 114.888 115.700 0.166 0.000 2.602 815 S HA 0.089 4.431 4.470 -0.213 0.000 0.240 815 S C 1.201 175.861 174.600 0.100 0.000 0.992 815 S CA 0.192 58.468 58.200 0.126 0.000 0.971 815 S CB 0.527 63.784 63.200 0.095 0.000 0.855 815 S HN 0.447 nan 8.310 nan 0.000 0.481 816 S N 1.159 116.928 115.700 0.114 0.000 2.447 816 S HA 0.080 4.423 4.470 -0.213 0.000 0.233 816 S C 0.744 175.239 174.600 -0.174 0.000 1.006 816 S CA 0.201 58.414 58.200 0.023 0.000 0.957 816 S CB -0.293 62.958 63.200 0.085 0.000 0.773 816 S HN 0.484 nan 8.310 nan 0.000 0.507 817 L N 2.795 123.823 121.223 -0.326 0.000 2.315 817 L HA 0.262 4.474 4.340 -0.213 0.000 0.283 817 L C 0.630 177.355 176.870 -0.240 0.000 1.089 817 L CA -0.136 54.375 54.840 -0.549 0.000 0.833 817 L CB 0.531 42.176 42.059 -0.690 0.000 1.170 817 L HN 0.196 nan 8.230 nan 0.000 0.442 818 I N 2.940 123.392 120.570 -0.196 0.000 2.429 818 I HA 0.117 4.160 4.170 -0.213 0.000 0.247 818 I C 0.585 176.645 176.117 -0.095 0.000 1.099 818 I CA 0.724 61.973 61.300 -0.085 0.000 1.422 818 I CB -0.116 37.880 38.000 -0.007 0.000 1.112 818 I HN 0.595 nan 8.210 nan 0.000 0.430 819 E N 0.440 120.567 120.200 -0.121 0.000 2.375 819 E HA 0.340 4.562 4.350 -0.213 0.000 0.280 819 E C -0.995 175.548 176.600 -0.095 0.000 0.972 819 E CA -0.448 55.902 56.400 -0.082 0.000 0.782 819 E CB 1.512 31.188 29.700 -0.040 0.000 1.229 819 E HN 0.132 nan 8.360 nan 0.000 0.439 820 N N 3.224 121.885 118.700 -0.065 0.000 2.751 820 N HA 0.174 4.786 4.740 -0.213 0.000 0.234 820 N C -1.442 174.046 175.510 -0.037 0.000 1.403 820 N CA -0.244 52.774 53.050 -0.054 0.000 0.747 820 N CB 0.000 38.438 38.487 -0.081 0.000 1.326 820 N HN 0.525 nan 8.380 nan 0.000 0.532 821 N N -0.185 118.506 118.700 -0.015 0.000 3.038 821 N HA 0.257 4.869 4.740 -0.213 0.000 0.307 821 N C 0.634 176.141 175.510 -0.006 0.000 1.441 821 N CA -0.535 52.504 53.050 -0.019 0.000 0.772 821 N CB 0.263 38.742 38.487 -0.013 0.000 1.651 821 N HN 0.044 nan 8.380 nan 0.000 0.593 822 E N -1.659 118.531 120.200 -0.017 0.000 2.333 822 E HA -0.104 4.118 4.350 -0.213 0.000 0.198 822 E C 0.797 177.429 176.600 0.055 0.000 1.007 822 E CA 1.967 58.367 56.400 -0.000 0.000 0.845 822 E CB -0.663 29.011 29.700 -0.043 0.000 0.766 822 E HN 0.811 nan 8.360 nan 0.000 0.507 823 T N -2.881 111.708 114.554 0.058 0.000 3.004 823 T HA 0.384 4.606 4.350 -0.213 0.000 0.266 823 T C 0.019 174.817 174.700 0.163 0.000 0.986 823 T CA -0.417 61.747 62.100 0.107 0.000 0.902 823 T CB 0.213 69.128 68.868 0.077 0.000 1.118 823 T HN 0.096 nan 8.240 nan 0.000 0.522 824 L N 1.029 122.334 121.223 0.136 0.000 2.588 824 L HA 0.577 4.790 4.340 -0.213 0.000 0.263 824 L C -2.123 174.828 176.870 0.135 0.000 0.935 824 L CA -0.395 54.535 54.840 0.150 0.000 0.891 824 L CB 2.336 44.444 42.059 0.082 0.000 1.318 824 L HN 0.119 nan 8.230 nan 0.000 0.409 825 Q N 2.852 122.779 119.800 0.212 0.000 2.337 825 Q HA 0.810 5.022 4.340 -0.213 0.000 0.270 825 Q C -1.434 174.709 176.000 0.238 0.000 1.043 825 Q CA -0.728 55.202 55.803 0.212 0.000 0.794 825 Q CB 2.430 31.384 28.738 0.360 0.000 1.281 825 Q HN 0.644 nan 8.270 nan 0.000 0.446 826 S N 1.447 117.122 115.700 -0.042 0.000 2.543 826 S HA 0.628 4.970 4.470 -0.213 0.000 0.273 826 S C -1.570 172.788 174.600 -0.402 0.000 1.152 826 S CA -0.491 57.645 58.200 -0.107 0.000 0.910 826 S CB 1.462 64.726 63.200 0.106 0.000 1.105 826 S HN 0.321 nan 8.310 nan 0.000 0.465 827 V N 4.467 124.077 119.914 -0.507 0.000 2.769 827 V HA 0.632 4.624 4.120 -0.213 0.000 0.312 827 V C -1.373 174.719 176.094 -0.003 0.000 1.061 827 V CA -0.714 61.349 62.300 -0.395 0.000 0.931 827 V CB 1.835 33.277 31.823 -0.635 0.000 1.010 827 V HN 0.861 nan 8.190 nan 0.000 0.433 828 Y N 2.442 122.630 120.300 -0.187 0.000 2.326 828 Y HA 0.503 4.925 4.550 -0.213 0.000 0.329 828 Y C -0.487 175.273 175.900 -0.233 0.000 0.973 828 Y CA -1.421 56.505 58.100 -0.290 0.000 1.162 828 Y CB 1.552 39.828 38.460 -0.306 0.000 1.147 828 Y HN 0.716 nan 8.280 nan 0.000 0.456 829 D N 5.142 125.167 120.400 -0.626 0.000 2.422 829 D HA 0.296 4.809 4.640 -0.213 0.000 0.227 829 D C 0.813 176.488 176.300 -1.042 0.000 1.190 829 D CA 0.555 54.186 54.000 -0.616 0.000 0.905 829 D CB 1.193 41.807 40.800 -0.310 0.000 1.034 829 D HN 0.796 nan 8.370 nan 0.000 0.507 830 A N 4.786 126.991 122.820 -1.026 0.000 1.933 830 A HA -0.166 4.026 4.320 -0.213 0.000 0.218 830 A C 2.069 179.421 177.584 -0.387 0.000 1.175 830 A CA 1.078 52.621 52.037 -0.824 0.000 0.628 830 A CB -0.228 18.577 19.000 -0.325 0.000 0.814 830 A HN 0.562 nan 8.150 nan 0.000 0.444 831 K N -0.896 119.332 120.400 -0.286 0.000 2.113 831 K HA -0.196 3.997 4.320 -0.213 0.000 0.208 831 K C 2.116 178.620 176.600 -0.161 0.000 1.047 831 K CA 1.882 58.065 56.287 -0.174 0.000 0.928 831 K CB -0.105 32.312 32.500 -0.138 0.000 0.716 831 K HN 0.632 nan 8.250 nan 0.000 0.446 832 Q N -1.599 118.074 119.800 -0.212 0.000 2.391 832 Q HA 0.073 4.285 4.340 -0.213 0.000 0.211 832 Q C 0.380 176.302 176.000 -0.130 0.000 0.908 832 Q CA 0.446 56.167 55.803 -0.137 0.000 0.920 832 Q CB 1.064 29.733 28.738 -0.115 0.000 1.056 832 Q HN 0.484 nan 8.270 nan 0.000 0.523 833 G N 1.266 109.926 108.800 -0.233 0.000 2.298 833 G HA2 -0.212 3.620 3.960 -0.213 0.000 0.287 833 G HA3 -0.212 3.620 3.960 -0.213 0.000 0.287 833 G C -0.405 174.398 174.900 -0.161 0.000 1.075 833 G CA 0.121 45.117 45.100 -0.173 0.000 0.960 833 G HN 0.173 nan 8.290 nan 0.000 0.502 834 V N 0.834 120.570 119.914 -0.297 0.000 2.656 834 V HA 0.727 4.719 4.120 -0.213 0.000 0.307 834 V C -0.059 176.014 176.094 -0.035 0.000 1.051 834 V CA -1.094 61.193 62.300 -0.022 0.000 0.893 834 V CB 1.873 33.717 31.823 0.034 0.000 0.999 834 V HN 0.361 nan 8.190 nan 0.000 0.426 835 W N 2.287 123.819 121.300 0.388 0.000 2.529 835 W HA 0.668 5.200 4.660 -0.213 0.000 0.321 835 W C 0.374 177.103 176.519 0.351 0.000 1.047 835 W CA -0.748 56.845 57.345 0.413 0.000 1.216 835 W CB 2.356 32.108 29.460 0.488 0.000 1.357 835 W HN 0.750 nan 8.180 nan 0.000 0.489 836 G N 2.780 111.929 108.800 0.583 0.000 2.367 836 G HA2 0.760 4.592 3.960 -0.213 0.000 0.314 836 G HA3 0.760 4.592 3.960 -0.213 0.000 0.314 836 G C -1.280 174.053 174.900 0.722 0.000 1.130 836 G CA -0.544 44.949 45.100 0.654 0.000 0.864 836 G HN 0.392 nan 8.290 nan 0.000 0.486 837 I N 0.832 121.774 120.570 0.620 0.000 2.656 837 I HA 0.339 4.381 4.170 -0.213 0.000 0.292 837 I C -0.744 175.672 176.117 0.499 0.000 1.144 837 I CA -0.955 60.669 61.300 0.540 0.000 1.038 837 I CB 2.737 40.932 38.000 0.326 0.000 1.244 837 I HN 0.186 nan 8.210 nan 0.000 0.420 838 V N 5.181 125.366 119.914 0.452 0.000 2.487 838 V HA 0.455 4.447 4.120 -0.213 0.000 0.298 838 V C -0.308 176.029 176.094 0.405 0.000 1.028 838 V CA -0.826 61.709 62.300 0.392 0.000 0.860 838 V CB 1.819 33.828 31.823 0.309 0.000 0.991 838 V HN 0.596 nan 8.190 nan 0.000 0.427 839 K N 3.467 124.122 120.400 0.425 0.000 2.235 839 K HA 0.448 4.640 4.320 -0.213 0.000 0.266 839 K C -0.587 176.173 176.600 0.266 0.000 0.980 839 K CA -0.594 55.901 56.287 0.345 0.000 0.849 839 K CB 1.771 34.459 32.500 0.315 0.000 1.098 839 K HN 0.601 nan 8.250 nan 0.000 0.445 840 Y N 0.912 121.240 120.300 0.047 0.000 2.482 840 Y HA -0.029 4.393 4.550 -0.213 0.000 0.270 840 Y C 0.379 176.171 175.900 -0.181 0.000 1.152 840 Y CA -0.033 57.944 58.100 -0.205 0.000 1.292 840 Y CB 0.302 38.590 38.460 -0.286 0.000 1.070 840 Y HN 0.659 nan 8.280 nan 0.000 0.528 841 D N -3.215 117.217 120.400 0.053 0.000 2.610 841 D HA 0.135 4.647 4.640 -0.213 0.000 0.271 841 D C -0.427 175.898 176.300 0.041 0.000 1.174 841 D CA -0.697 53.316 54.000 0.021 0.000 0.949 841 D CB 0.548 41.363 40.800 0.026 0.000 1.430 841 D HN -0.251 nan 8.370 nan 0.000 0.467 842 D N -0.331 120.082 120.400 0.023 0.000 2.325 842 D HA 0.064 4.576 4.640 -0.213 0.000 0.234 842 D C 0.354 176.660 176.300 0.011 0.000 1.122 842 D CA 0.162 54.177 54.000 0.025 0.000 0.850 842 D CB -0.159 40.650 40.800 0.014 0.000 0.921 842 D HN 0.435 nan 8.370 nan 0.000 0.513 843 S N -0.566 115.140 115.700 0.009 0.000 2.589 843 S HA 0.151 4.493 4.470 -0.213 0.000 0.265 843 S C 0.456 175.040 174.600 -0.027 0.000 1.342 843 S CA -0.761 57.434 58.200 -0.009 0.000 1.005 843 S CB 1.468 64.663 63.200 -0.008 0.000 0.909 843 S HN -0.107 nan 8.310 nan 0.000 0.555 844 V N 2.805 122.692 119.914 -0.046 0.000 2.415 844 V HA 0.260 4.252 4.120 -0.213 0.000 0.267 844 V C 0.148 176.189 176.094 -0.088 0.000 1.042 844 V CA -0.208 62.048 62.300 -0.074 0.000 1.000 844 V CB 0.132 31.908 31.823 -0.079 0.000 1.015 844 V HN 0.894 nan 8.190 nan 0.000 0.478 845 S N 3.642 119.274 115.700 -0.113 0.000 2.474 845 S HA 0.440 4.782 4.470 -0.213 0.000 0.321 845 S C 0.195 174.674 174.600 -0.201 0.000 1.080 845 S CA -0.556 57.565 58.200 -0.132 0.000 1.106 845 S CB 1.323 64.453 63.200 -0.117 0.000 0.984 845 S HN 0.764 nan 8.310 nan 0.000 0.464 846 T N 4.350 118.776 114.554 -0.213 0.000 2.806 846 T HA 0.458 4.680 4.350 -0.213 0.000 0.290 846 T C -0.258 174.224 174.700 -0.364 0.000 0.966 846 T CA -0.409 61.511 62.100 -0.300 0.000 1.060 846 T CB 0.272 68.999 68.868 -0.235 0.000 0.927 846 T HN 0.341 nan 8.240 nan 0.000 0.485 847 I N 2.596 122.803 120.570 -0.605 0.000 2.418 847 I HA 0.291 4.333 4.170 -0.213 0.000 0.287 847 I C 0.910 176.572 176.117 -0.758 0.000 1.008 847 I CA -0.545 60.328 61.300 -0.711 0.000 1.104 847 I CB 1.026 38.301 38.000 -1.207 0.000 1.264 847 I HN 0.790 nan 8.210 nan 0.000 0.438 848 S N 4.527 119.990 115.700 -0.394 0.000 3.319 848 S HA -0.290 4.052 4.470 -0.213 0.000 0.319 848 S C 0.761 175.231 174.600 -0.216 0.000 1.236 848 S CA 1.394 59.448 58.200 -0.243 0.000 0.964 848 S CB -1.274 61.836 63.200 -0.150 0.000 1.040 848 S HN 0.898 nan 8.310 nan 0.000 0.620 849 N N -0.896 117.647 118.700 -0.260 0.000 2.747 849 N HA -0.245 4.367 4.740 -0.213 0.000 0.249 849 N C 0.552 175.958 175.510 -0.173 0.000 1.107 849 N CA 1.377 54.312 53.050 -0.191 0.000 0.707 849 N CB -0.658 37.767 38.487 -0.102 0.000 1.054 849 N HN 0.732 nan 8.380 nan 0.000 0.555 850 Q N -1.522 118.103 119.800 -0.291 0.000 2.459 850 Q HA 0.309 4.521 4.340 -0.213 0.000 0.260 850 Q C -0.368 175.530 176.000 -0.169 0.000 0.828 850 Q CA 0.511 56.242 55.803 -0.121 0.000 0.987 850 Q CB 0.853 29.628 28.738 0.062 0.000 1.216 850 Q HN 0.457 nan 8.270 nan 0.000 0.558 851 F N -1.645 118.043 119.950 -0.437 0.000 2.713 851 F HA 0.583 4.983 4.527 -0.213 0.000 0.311 851 F C -1.574 173.884 175.800 -0.570 0.000 1.141 851 F CA -1.243 56.368 58.000 -0.647 0.000 0.939 851 F CB 1.065 39.470 39.000 -0.991 0.000 1.325 851 F HN -0.339 nan 8.300 nan 0.000 0.453 852 Q N 1.393 120.967 119.800 -0.376 0.000 2.348 852 Q HA 0.770 4.982 4.340 -0.213 0.000 0.271 852 Q C -1.237 174.607 176.000 -0.260 0.000 1.067 852 Q CA -1.466 54.148 55.803 -0.314 0.000 0.839 852 Q CB 3.298 31.870 28.738 -0.277 0.000 1.354 852 Q HN 0.735 nan 8.270 nan 0.000 0.447 853 V N -0.599 119.195 119.914 -0.199 0.000 2.680 853 V HA 0.496 4.488 4.120 -0.213 0.000 0.309 853 V C -0.111 175.889 176.094 -0.157 0.000 1.052 853 V CA -0.664 61.504 62.300 -0.220 0.000 0.908 853 V CB 1.383 32.924 31.823 -0.470 0.000 1.001 853 V HN 0.852 nan 8.190 nan 0.000 0.431 854 L N 0.503 121.689 121.223 -0.061 0.000 2.685 854 L HA 0.460 4.672 4.340 -0.213 0.000 0.235 854 L C 0.940 177.830 176.870 0.034 0.000 1.070 854 L CA 0.200 55.025 54.840 -0.025 0.000 0.888 854 L CB 0.328 42.364 42.059 -0.038 0.000 1.203 854 L HN 0.630 nan 8.230 nan 0.000 0.499 855 K N 1.084 121.560 120.400 0.127 0.000 2.267 855 K HA 0.374 4.566 4.320 -0.213 0.000 0.246 855 K C -0.515 176.278 176.600 0.321 0.000 0.954 855 K CA -0.848 55.530 56.287 0.150 0.000 0.824 855 K CB 2.827 35.345 32.500 0.030 0.000 1.167 855 K HN -0.091 nan 8.250 nan 0.000 0.431 856 R N 0.649 121.284 120.500 0.226 0.000 2.583 856 R HA 0.146 4.358 4.340 -0.213 0.000 0.274 856 R C 0.172 176.726 176.300 0.423 0.000 0.998 856 R CA 1.345 57.588 56.100 0.238 0.000 1.081 856 R CB -0.007 30.323 30.300 0.049 0.000 0.940 856 R HN 0.879 nan 8.270 nan 0.000 0.413 857 G N 1.293 110.399 108.800 0.511 0.000 2.302 857 G HA2 0.057 3.889 3.960 -0.213 0.000 0.276 857 G HA3 0.057 3.889 3.960 -0.213 0.000 0.276 857 G C -1.704 173.285 174.900 0.150 0.000 1.316 857 G CA -0.453 44.790 45.100 0.238 0.000 0.988 857 G HN 0.592 nan 8.290 nan 0.000 0.479 858 V N 0.230 119.982 119.914 -0.270 0.000 2.656 858 V HA 0.795 4.787 4.120 -0.213 0.000 0.307 858 V C -1.241 174.744 176.094 -0.182 0.000 1.051 858 V CA -0.672 61.569 62.300 -0.098 0.000 0.893 858 V CB 1.567 33.296 31.823 -0.157 0.000 0.999 858 V HN 0.770 nan 8.190 nan 0.000 0.426 859 Y N 0.972 121.362 120.300 0.150 0.000 2.457 859 Y HA 0.692 5.115 4.550 -0.213 0.000 0.343 859 Y C 0.143 176.165 175.900 0.204 0.000 0.994 859 Y CA -0.726 57.502 58.100 0.213 0.000 1.031 859 Y CB 2.717 41.345 38.460 0.279 0.000 1.246 859 Y HN 0.561 nan 8.280 nan 0.000 0.449 860 T N 4.622 119.362 114.554 0.311 0.000 2.881 860 T HA 0.712 4.934 4.350 -0.213 0.000 0.291 860 T C -0.860 173.984 174.700 0.239 0.000 0.990 860 T CA -0.460 61.803 62.100 0.273 0.000 0.976 860 T CB 0.894 69.866 68.868 0.173 0.000 0.970 860 T HN 0.395 nan 8.240 nan 0.000 0.438 861 I N 2.306 123.063 120.570 0.311 0.000 2.533 861 I HA 0.560 4.603 4.170 -0.213 0.000 0.290 861 I C -0.251 176.118 176.117 0.419 0.000 1.056 861 I CA -0.792 60.667 61.300 0.266 0.000 1.057 861 I CB 2.365 40.430 38.000 0.109 0.000 1.240 861 I HN 0.332 nan 8.210 nan 0.000 0.423 862 R N 5.509 126.189 120.500 0.299 0.000 2.513 862 R HA 0.415 4.627 4.340 -0.213 0.000 0.301 862 R C -1.014 175.436 176.300 0.249 0.000 0.968 862 R CA -0.841 55.434 56.100 0.291 0.000 0.872 862 R CB 1.675 32.058 30.300 0.137 0.000 1.177 862 R HN 0.541 nan 8.270 nan 0.000 0.444 863 K N 3.719 124.311 120.400 0.319 0.000 2.284 863 K HA 0.115 4.307 4.320 -0.213 0.000 0.287 863 K C -0.985 175.592 176.600 -0.037 0.000 1.081 863 K CA -0.064 56.212 56.287 -0.019 0.000 0.910 863 K CB 0.816 33.392 32.500 0.126 0.000 1.088 863 K HN 0.570 nan 8.250 nan 0.000 0.478 864 E N 3.529 123.664 120.200 -0.108 0.000 2.063 864 E HA 0.173 4.395 4.350 -0.213 0.000 0.265 864 E C 0.654 177.208 176.600 -0.077 0.000 0.919 864 E CA -0.255 56.110 56.400 -0.059 0.000 0.756 864 E CB 1.250 30.928 29.700 -0.037 0.000 1.120 864 E HN 0.989 nan 8.360 nan 0.000 0.414 865 G N 4.385 113.157 108.800 -0.046 0.000 2.698 865 G HA2 -0.407 3.425 3.960 -0.213 0.000 0.337 865 G HA3 -0.407 3.425 3.960 -0.213 0.000 0.337 865 G C 0.666 175.529 174.900 -0.061 0.000 1.196 865 G CA 0.709 45.789 45.100 -0.033 0.000 0.965 865 G HN 0.622 nan 8.290 nan 0.000 0.550 866 D N 1.340 121.709 120.400 -0.051 0.000 2.398 866 D HA 0.224 4.736 4.640 -0.213 0.000 0.210 866 D C 0.785 177.051 176.300 -0.057 0.000 1.094 866 D CA 0.202 54.179 54.000 -0.037 0.000 0.839 866 D CB 0.461 41.274 40.800 0.021 0.000 0.963 866 D HN 0.330 nan 8.370 nan 0.000 0.506 867 E N -0.095 120.044 120.200 -0.102 0.000 2.243 867 E HA 0.315 4.537 4.350 -0.213 0.000 0.260 867 E C -0.968 175.465 176.600 -0.278 0.000 0.985 867 E CA -0.620 55.730 56.400 -0.082 0.000 0.858 867 E CB 1.334 31.038 29.700 0.008 0.000 1.210 867 E HN -0.025 nan 8.360 nan 0.000 0.411 868 Y N 0.436 120.705 120.300 -0.051 0.000 2.350 868 Y HA 0.301 4.723 4.550 -0.213 0.000 0.338 868 Y C 0.558 176.333 175.900 -0.207 0.000 0.961 868 Y CA -0.710 57.288 58.100 -0.171 0.000 1.100 868 Y CB 1.453 39.656 38.460 -0.430 0.000 1.179 868 Y HN -0.052 nan 8.280 nan 0.000 0.454 869 K N 4.385 124.774 120.400 -0.019 0.000 2.174 869 K HA 0.567 4.759 4.320 -0.213 0.000 0.275 869 K C -1.014 175.538 176.600 -0.081 0.000 1.015 869 K CA -0.430 55.834 56.287 -0.039 0.000 0.933 869 K CB 1.462 33.964 32.500 0.002 0.000 1.025 869 K HN 0.602 nan 8.250 nan 0.000 0.463 870 I N 1.323 121.833 120.570 -0.101 0.000 2.533 870 I HA 0.262 4.304 4.170 -0.213 0.000 0.290 870 I C -0.697 175.423 176.117 0.006 0.000 1.056 870 I CA -0.564 60.676 61.300 -0.100 0.000 1.057 870 I CB 2.133 39.998 38.000 -0.224 0.000 1.240 870 I HN 0.566 nan 8.210 nan 0.000 0.423 871 A N 5.986 128.843 122.820 0.062 0.000 2.431 871 A HA 0.502 4.694 4.320 -0.213 0.000 0.318 871 A C -1.373 176.257 177.584 0.078 0.000 1.330 871 A CA -0.358 51.715 52.037 0.060 0.000 0.804 871 A CB 0.169 19.193 19.000 0.040 0.000 1.135 871 A HN 0.619 nan 8.150 nan 0.000 0.483 872 Y N 2.366 122.622 120.300 -0.074 0.000 2.330 872 Y HA 0.615 5.037 4.550 -0.213 0.000 0.336 872 Y C -1.365 174.485 175.900 -0.083 0.000 1.036 872 Y CA -1.029 56.930 58.100 -0.236 0.000 1.125 872 Y CB 1.020 39.294 38.460 -0.311 0.000 1.194 872 Y HN 0.587 nan 8.280 nan 0.000 0.469 873 Y N 6.302 125.939 120.300 -1.105 0.000 2.373 873 Y HA 0.347 4.769 4.550 -0.213 0.000 0.336 873 Y C -1.211 174.024 175.900 -1.108 0.000 0.979 873 Y CA -1.525 56.049 58.100 -0.877 0.000 1.080 873 Y CB 1.328 39.510 38.460 -0.463 0.000 1.190 873 Y HN 0.783 nan 8.280 nan 0.000 0.446 874 N N 7.745 125.722 118.700 -1.205 0.000 2.462 874 N HA 0.302 4.915 4.740 -0.213 0.000 0.242 874 N C -2.208 172.663 175.510 -1.064 0.000 1.010 874 N CA -1.980 50.589 53.050 -0.801 0.000 0.939 874 N CB 1.400 39.724 38.487 -0.270 0.000 1.127 874 N HN 0.348 nan 8.380 nan 0.000 0.509 875 P HA -0.068 nan 4.420 nan 0.000 0.220 875 P C 0.394 177.511 177.300 -0.305 0.000 1.152 875 P CA 1.002 63.676 63.100 -0.709 0.000 0.812 875 P CB 0.356 31.733 31.700 -0.538 0.000 0.792 876 E N -0.464 119.646 120.200 -0.151 0.000 2.047 876 E HA -0.121 4.102 4.350 -0.213 0.000 0.191 876 E C 1.799 178.368 176.600 -0.052 0.000 0.987 876 E CA 2.003 58.388 56.400 -0.026 0.000 0.799 876 E CB -0.582 29.153 29.700 0.058 0.000 0.752 876 E HN 0.351 nan 8.360 nan 0.000 0.449 877 T N -2.275 112.227 114.554 -0.087 0.000 3.067 877 T HA 0.002 4.225 4.350 -0.213 0.000 0.257 877 T C 0.562 175.215 174.700 -0.077 0.000 1.105 877 T CA 0.014 62.079 62.100 -0.059 0.000 1.104 877 T CB 0.179 69.023 68.868 -0.040 0.000 0.925 877 T HN 0.090 nan 8.240 nan 0.000 0.498 878 Q N 0.757 120.441 119.800 -0.193 0.000 2.470 878 Q HA -0.136 4.076 4.340 -0.213 0.000 0.294 878 Q C -0.997 175.022 176.000 0.032 0.000 1.356 878 Q CA 0.625 56.376 55.803 -0.087 0.000 0.805 878 Q CB -1.711 27.062 28.738 0.058 0.000 1.157 878 Q HN 0.763 nan 8.270 nan 0.000 0.431 879 E N -0.566 119.574 120.200 -0.100 0.000 2.356 879 E HA 0.526 4.748 4.350 -0.213 0.000 0.275 879 E C -0.561 176.039 176.600 0.000 0.000 0.904 879 E CA -0.361 56.052 56.400 0.022 0.000 0.757 879 E CB 2.102 31.817 29.700 0.025 0.000 1.232 879 E HN 0.124 nan 8.360 nan 0.000 0.442 880 S N 0.828 116.598 115.700 0.116 0.000 2.477 880 S HA 0.789 5.131 4.470 -0.213 0.000 0.261 880 S C -0.605 174.136 174.600 0.235 0.000 1.197 880 S CA 0.332 58.631 58.200 0.165 0.000 1.015 880 S CB 0.659 63.950 63.200 0.150 0.000 1.077 880 S HN 0.608 nan 8.310 nan 0.000 0.505 881 A N 0.541 123.511 122.820 0.251 0.000 2.599 881 A HA 0.655 4.848 4.320 -0.213 0.000 0.294 881 A C -3.096 174.533 177.584 0.076 0.000 1.055 881 A CA -1.232 50.889 52.037 0.140 0.000 0.683 881 A CB 0.042 19.090 19.000 0.080 0.000 1.278 881 A HN 0.586 nan 8.150 nan 0.000 0.412 882 P HA 0.080 nan 4.420 nan 0.000 0.264 882 P C 0.004 177.315 177.300 0.019 0.000 1.179 882 P CA 0.201 63.318 63.100 0.029 0.000 0.763 882 P CB 0.539 32.252 31.700 0.021 0.000 0.806 883 D N 1.938 122.357 120.400 0.032 0.000 2.123 883 D HA -0.198 4.314 4.640 -0.213 0.000 0.196 883 D C 1.792 178.136 176.300 0.073 0.000 0.992 883 D CA 1.312 55.341 54.000 0.048 0.000 0.833 883 D CB -0.265 40.559 40.800 0.040 0.000 0.954 883 D HN 0.557 nan 8.370 nan 0.000 0.455 884 Q N 1.404 121.235 119.800 0.052 0.000 2.291 884 Q HA -0.152 4.060 4.340 -0.213 0.000 0.205 884 Q C 1.352 177.360 176.000 0.012 0.000 0.970 884 Q CA 1.141 56.971 55.803 0.044 0.000 0.876 884 Q CB -0.412 28.345 28.738 0.030 0.000 0.935 884 Q HN 0.385 nan 8.270 nan 0.000 0.455 885 E N 0.706 120.901 120.200 -0.009 0.000 2.274 885 E HA -0.064 4.158 4.350 -0.213 0.000 0.194 885 E C 1.911 178.470 176.600 -0.069 0.000 0.996 885 E CA 1.328 57.704 56.400 -0.040 0.000 0.840 885 E CB 0.340 30.008 29.700 -0.054 0.000 0.772 885 E HN 0.434 nan 8.360 nan 0.000 0.491 886 V N -2.685 117.190 119.914 -0.065 0.000 3.612 886 V HA 0.300 4.292 4.120 -0.213 0.000 0.268 886 V C 0.023 176.196 176.094 0.131 0.000 1.365 886 V CA -0.370 61.909 62.300 -0.035 0.000 1.044 886 V CB 0.116 31.775 31.823 -0.273 0.000 0.820 886 V HN 0.040 nan 8.190 nan 0.000 0.444 887 F N 1.610 121.530 119.950 -0.050 0.000 2.565 887 F HA 0.774 5.173 4.527 -0.213 0.000 0.313 887 F C -0.633 175.112 175.800 -0.092 0.000 1.091 887 F CA -0.948 57.002 58.000 -0.083 0.000 0.915 887 F CB 1.965 40.902 39.000 -0.104 0.000 1.208 887 F HN -0.001 nan 8.300 nan 0.000 0.453 888 K N 4.721 124.604 120.400 -0.862 0.000 2.615 888 K HA 0.366 4.558 4.320 -0.213 0.000 0.249 888 K C -1.399 174.732 176.600 -0.782 0.000 0.977 888 K CA -0.865 55.070 56.287 -0.587 0.000 0.833 888 K CB 1.232 33.555 32.500 -0.295 0.000 1.208 888 K HN 0.576 nan 8.250 nan 0.000 0.443 889 K N 2.027 122.130 120.400 -0.496 0.000 2.524 889 K HA 0.158 4.350 4.320 -0.213 0.000 0.279 889 K C 0.466 176.956 176.600 -0.183 0.000 0.993 889 K CA 0.195 56.324 56.287 -0.264 0.000 1.030 889 K CB 0.024 32.544 32.500 0.032 0.000 0.891 889 K HN 0.447 nan 8.250 nan 0.000 0.488 890 L N 0.000 121.133 121.223 -0.150 0.000 2.949 890 L HA 0.000 4.212 4.340 -0.213 0.000 0.249 890 L CA 0.000 54.767 54.840 -0.121 0.000 0.813 890 L CB 0.000 41.957 42.059 -0.171 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502