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 2hpi_1_A DATA FIRST_RESID 5 DATA SEQUENCE LKFAHLHQHT QFSLLDGAAK LQDLLKWVKE TTPEDPALAM TDHGNLFGAV DATA SEQUENCE EFYKKATAMG VKPIIGYEAY VAAESRFDRK RXXXXXGGYF HLTLLAKDFT DATA SEQUENCE GYQNLVRLAS RAYLEGFYEK PRIDREILRE HAQGLIALSG CLGAEIPQFI DATA SEQUENCE LQDRLDLAEA RLNEDLSIFG DRFFIEIQNH GLPEQKKVNQ VLKEFARKYG DATA SEQUENCE LGMVATNDGH YVRKEDARAH EVLLAIQSKT TLDDPERWRF PCDEFYVKTP DATA SEQUENCE EEMRAMLPEA EWGDEPFDNT VEIARMCDVD LPIGDKMVYR IPRFPLXXGR DATA SEQUENCE TEAQYLRELT FLGLLRRYPD RITEAFYREV LRLLXXXXXX XDERALAEAL DATA SEQUENCE ARVEEKAWEE LRKRXXXXXX XXEWTAEAIL HRALYELSVI ERMGFPGYFL DATA SEQUENCE IVQDYINWAR GHGVSVGPGR GSAAGSLVAY AVGITNIDPL RFGLLFERFL DATA SEQUENCE NPERVSMPDI DTDFSDRERD RVIQYVRERY GEDKVAQIGT FGSLASKAAL DATA SEQUENCE KDVARVYGIP HKKAEELAKL IPVQFGKPKP LQEAXXXXXE LRAEMEKDER DATA SEQUENCE IRQVIEVAMR LEGLNRHASV HAAGVVIAAE PLTDLVPLMR DQEGRPVTQY DATA SEQUENCE DMGAVEALGL LKMDFLGLRT LTFLDEARRI VKESKGVELD YDRLPLDDPK DATA SEQUENCE TFELLSRGET KGVFQLESGG MTATVRGLKP RRLEDIIALV SLYRPGPMEH DATA SEQUENCE IPTYIRRHHG QEPVSYAEFP HAEKYLRPIL DETYGIPVYQ EQIMQIASQV DATA SEQUENCE AGYSLGEADL LRRAMGKKRV EEMQKHRERF VRGAKERGVP EEEANRLFDM DATA SEQUENCE LEAFANYGFN KSHAAAYSLL SYQTAYVKAH YPVEFMAALL SVERHDSDKV DATA SEQUENCE AEYIRDARAL GIPVLPPDVN RSGFDFKVVG EEILFGLSAV KNVGEMAARA DATA SEQUENCE ILEERERGGP FKSLGDFLKR LPEQVVNKRA LESLVKAGAL DAFGDRARLL DATA SEQUENCE ASLEPLLRWA AETRERGRSG LVGLFAEVEE PPLVEASPLD EITMLRYEKE DATA SEQUENCE ALGIYVSGHP VLRYPGLREV ASCTIEELSE FVRELPGKPK VLLSGMVEEV DATA SEQUENCE XXXXXXXXXX XXRFTLSDET GALEVVXXXX XXXXXXXXXK EDIPLLVLAE DATA SEQUENCE VEXXXXXRVL AQAVWTLEEV LEAPKALEVE VDHALLDEKG XARLKSLLDE DATA SEQUENCE HPGSLPVYLR VLGPFGEALF ALREVRVGEE ALGLLEAEGY RAYLVPDREV DATA SEQUENCE F 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.926 176.870 0.092 0.000 1.165 5 L CA 0.000 54.868 54.840 0.047 0.000 0.813 5 L CB 0.000 42.063 42.059 0.007 0.000 0.961 6 K N 3.390 123.869 120.400 0.132 0.000 2.316 6 K HA 0.863 5.181 4.320 -0.004 0.000 0.234 6 K C -1.418 175.337 176.600 0.258 0.000 1.054 6 K CA -0.945 55.426 56.287 0.141 0.000 0.879 6 K CB 2.505 35.043 32.500 0.064 0.000 1.252 6 K HN 0.301 nan 8.250 nan 0.000 0.471 7 F N -0.478 119.448 119.950 -0.042 0.000 2.672 7 F HA 0.472 4.997 4.527 -0.004 0.000 0.311 7 F C -2.086 173.604 175.800 -0.183 0.000 1.113 7 F CA -0.423 57.483 58.000 -0.157 0.000 0.996 7 F CB 1.993 40.841 39.000 -0.253 0.000 1.286 7 F HN 0.705 nan 8.300 nan 0.000 0.441 8 A N 3.640 125.866 122.820 -0.990 0.000 2.340 8 A HA 0.572 4.889 4.320 -0.004 0.000 0.297 8 A C -1.603 175.431 177.584 -0.917 0.000 1.195 8 A CA -0.571 51.063 52.037 -0.672 0.000 0.769 8 A CB 0.031 18.801 19.000 -0.383 0.000 1.163 8 A HN 0.851 nan 8.150 nan 0.000 0.472 9 H N 1.787 120.573 119.070 -0.473 0.000 3.046 9 H HA 0.200 4.753 4.556 -0.004 0.000 0.303 9 H C 0.771 175.970 175.328 -0.214 0.000 1.002 9 H CA 0.738 56.626 56.048 -0.267 0.000 1.460 9 H CB 0.548 30.302 29.762 -0.013 0.000 1.493 9 H HN 0.581 nan 8.280 nan 0.000 0.559 10 L N 2.224 123.376 121.223 -0.118 0.000 2.731 10 L HA 0.137 4.475 4.340 -0.004 0.000 0.240 10 L C 0.241 177.076 176.870 -0.058 0.000 1.120 10 L CA 0.145 54.911 54.840 -0.122 0.000 0.913 10 L CB 0.359 42.291 42.059 -0.212 0.000 1.213 10 L HN 0.659 nan 8.230 nan 0.000 0.515 11 H N 0.637 119.658 119.070 -0.082 0.000 2.675 11 H HA 0.367 4.921 4.556 -0.004 0.000 0.258 11 H C -0.839 174.445 175.328 -0.073 0.000 1.271 11 H CA -0.504 55.483 56.048 -0.101 0.000 1.462 11 H CB 0.782 30.525 29.762 -0.033 0.000 1.467 11 H HN -0.047 nan 8.280 nan 0.000 0.501 12 Q N 3.275 123.086 119.800 0.017 0.000 2.323 12 Q HA 0.263 4.601 4.340 -0.004 0.000 0.271 12 Q C -1.484 174.369 176.000 -0.246 0.000 1.048 12 Q CA -0.749 55.026 55.803 -0.045 0.000 0.792 12 Q CB 1.001 29.725 28.738 -0.023 0.000 1.280 12 Q HN 0.693 nan 8.270 nan 0.000 0.441 13 H N 1.566 120.522 119.070 -0.190 0.000 2.472 13 H HA 0.531 5.085 4.556 -0.004 0.000 0.335 13 H C -0.006 175.266 175.328 -0.093 0.000 1.136 13 H CA 0.083 55.993 56.048 -0.230 0.000 1.264 13 H CB 1.728 31.186 29.762 -0.506 0.000 1.486 13 H HN 0.836 nan 8.280 nan 0.000 0.517 14 T N -1.595 113.009 114.554 0.084 0.000 2.804 14 T HA 0.069 4.416 4.350 -0.004 0.000 0.272 14 T C 1.220 176.004 174.700 0.140 0.000 0.986 14 T CA -0.873 61.310 62.100 0.138 0.000 0.999 14 T CB 1.048 70.041 68.868 0.208 0.000 1.307 14 T HN 0.693 nan 8.240 nan 0.000 0.586 15 Q N -0.395 119.438 119.800 0.055 0.000 2.515 15 Q HA -0.010 4.327 4.340 -0.004 0.000 0.215 15 Q C 0.943 176.785 176.000 -0.265 0.000 0.983 15 Q CA 1.386 57.105 55.803 -0.140 0.000 0.905 15 Q CB -0.808 27.747 28.738 -0.306 0.000 0.961 15 Q HN 0.694 nan 8.270 nan 0.000 0.503 16 F N 0.785 120.793 119.950 0.097 0.000 2.754 16 F HA 0.182 4.706 4.527 -0.004 0.000 0.297 16 F C 0.668 176.595 175.800 0.211 0.000 1.122 16 F CA -0.260 57.821 58.000 0.135 0.000 1.400 16 F CB 0.679 39.748 39.000 0.114 0.000 1.117 16 F HN -0.145 nan 8.300 nan 0.000 0.587 17 S N 2.232 118.127 115.700 0.325 0.000 3.517 17 S HA 0.127 4.595 4.470 -0.004 0.000 0.284 17 S C 1.558 176.329 174.600 0.285 0.000 1.260 17 S CA -0.174 58.250 58.200 0.373 0.000 0.975 17 S CB -0.497 63.022 63.200 0.531 0.000 1.540 17 S HN 0.270 nan 8.310 nan 0.000 0.506 18 L N 1.647 123.012 121.223 0.236 0.000 2.189 18 L HA -0.177 4.161 4.340 -0.004 0.000 0.214 18 L C 1.885 178.814 176.870 0.098 0.000 1.097 18 L CA 1.304 56.198 54.840 0.090 0.000 0.764 18 L CB -0.626 41.403 42.059 -0.049 0.000 0.900 18 L HN 0.567 nan 8.230 nan 0.000 0.436 19 L N -0.256 121.084 121.223 0.195 0.000 2.168 19 L HA -0.054 4.283 4.340 -0.004 0.000 0.203 19 L C 1.719 178.731 176.870 0.236 0.000 1.078 19 L CA 1.003 56.000 54.840 0.261 0.000 0.780 19 L CB -0.242 42.026 42.059 0.347 0.000 0.939 19 L HN 0.426 nan 8.230 nan 0.000 0.451 20 D N -1.296 119.245 120.400 0.236 0.000 2.520 20 D HA 0.045 4.682 4.640 -0.004 0.000 0.223 20 D C 0.800 177.275 176.300 0.292 0.000 1.186 20 D CA -0.029 54.041 54.000 0.118 0.000 0.821 20 D CB 0.023 40.919 40.800 0.160 0.000 1.072 20 D HN -0.002 nan 8.370 nan 0.000 0.518 21 G N 0.128 109.106 108.800 0.296 0.000 2.355 21 G HA2 0.489 4.446 3.960 -0.004 0.000 0.276 21 G HA3 0.489 4.446 3.960 -0.004 0.000 0.276 21 G C 0.393 175.405 174.900 0.186 0.000 1.198 21 G CA -0.105 45.160 45.100 0.276 0.000 0.876 21 G HN 0.264 nan 8.290 nan 0.000 0.478 22 A N 1.959 124.912 122.820 0.223 0.000 2.508 22 A HA 0.690 5.007 4.320 -0.004 0.000 0.250 22 A C 1.351 179.010 177.584 0.125 0.000 1.208 22 A CA 0.656 52.793 52.037 0.166 0.000 0.960 22 A CB 0.298 19.444 19.000 0.242 0.000 1.099 22 A HN 1.320 nan 8.150 nan 0.000 0.542 23 A N 1.425 124.323 122.820 0.129 0.000 2.376 23 A HA 0.475 4.792 4.320 -0.004 0.000 0.298 23 A C 0.122 177.761 177.584 0.092 0.000 1.271 23 A CA -0.272 51.830 52.037 0.108 0.000 0.926 23 A CB -0.270 18.795 19.000 0.109 0.000 1.141 23 A HN 0.393 nan 8.150 nan 0.000 0.539 24 K N 2.138 122.581 120.400 0.072 0.000 2.382 24 K HA 0.106 4.423 4.320 -0.004 0.000 0.275 24 K C 0.613 177.284 176.600 0.118 0.000 1.009 24 K CA -0.508 55.819 56.287 0.066 0.000 0.970 24 K CB 0.741 33.265 32.500 0.041 0.000 0.934 24 K HN 0.567 nan 8.250 nan 0.000 0.479 25 L N 2.914 124.231 121.223 0.157 0.000 2.131 25 L HA -0.234 4.104 4.340 -0.004 0.000 0.210 25 L C 2.428 179.388 176.870 0.150 0.000 1.092 25 L CA 1.791 56.766 54.840 0.225 0.000 0.759 25 L CB -0.513 41.727 42.059 0.301 0.000 0.903 25 L HN 0.670 nan 8.230 nan 0.000 0.435 26 Q N 0.160 120.024 119.800 0.106 0.000 1.969 26 Q HA -0.186 4.152 4.340 -0.004 0.000 0.198 26 Q C 1.703 177.751 176.000 0.080 0.000 0.978 26 Q CA 2.161 58.007 55.803 0.072 0.000 0.830 26 Q CB -0.391 28.380 28.738 0.054 0.000 0.896 26 Q HN 0.651 nan 8.270 nan 0.000 0.431 27 D N -0.010 120.439 120.400 0.081 0.000 2.310 27 D HA -0.154 4.483 4.640 -0.004 0.000 0.212 27 D C 1.757 178.144 176.300 0.145 0.000 0.965 27 D CA 0.846 54.903 54.000 0.095 0.000 0.879 27 D CB -0.393 40.443 40.800 0.059 0.000 0.921 27 D HN 0.362 nan 8.370 nan 0.000 0.510 28 L N -0.025 121.285 121.223 0.145 0.000 2.027 28 L HA 0.038 4.376 4.340 -0.004 0.000 0.206 28 L C 2.000 178.989 176.870 0.198 0.000 1.074 28 L CA 1.470 56.423 54.840 0.188 0.000 0.745 28 L CB -0.427 41.739 42.059 0.178 0.000 0.898 28 L HN 0.107 nan 8.230 nan 0.000 0.433 29 L N -0.230 121.074 121.223 0.135 0.000 2.201 29 L HA -0.176 4.161 4.340 -0.004 0.000 0.212 29 L C 2.569 179.478 176.870 0.066 0.000 1.105 29 L CA 1.596 56.477 54.840 0.068 0.000 0.775 29 L CB -0.561 41.486 42.059 -0.021 0.000 0.913 29 L HN 0.429 nan 8.230 nan 0.000 0.440 30 K N -0.850 119.613 120.400 0.104 0.000 2.167 30 K HA -0.204 4.114 4.320 -0.004 0.000 0.203 30 K C 2.127 178.825 176.600 0.162 0.000 1.052 30 K CA 0.810 57.159 56.287 0.104 0.000 0.956 30 K CB -0.614 31.947 32.500 0.103 0.000 0.735 30 K HN 0.345 nan 8.250 nan 0.000 0.451 31 W N 1.793 123.111 121.300 0.030 0.000 2.402 31 W HA -0.131 4.527 4.660 -0.004 0.000 0.286 31 W C 1.335 177.883 176.519 0.049 0.000 1.221 31 W CA 0.997 58.368 57.345 0.042 0.000 1.257 31 W CB 0.212 29.703 29.460 0.051 0.000 1.120 31 W HN -0.056 nan 8.180 nan 0.000 0.551 32 V N 1.392 121.331 119.914 0.042 0.000 2.358 32 V HA -0.293 3.824 4.120 -0.004 0.000 0.246 32 V C 2.344 178.380 176.094 -0.097 0.000 1.047 32 V CA 2.329 64.603 62.300 -0.045 0.000 1.035 32 V CB -0.888 30.964 31.823 0.049 0.000 0.658 32 V HN -0.032 nan 8.190 nan 0.000 0.452 33 K N 0.806 121.170 120.400 -0.059 0.000 2.057 33 K HA -0.167 4.150 4.320 -0.004 0.000 0.206 33 K C 1.961 178.502 176.600 -0.098 0.000 1.050 33 K CA 1.717 57.965 56.287 -0.065 0.000 0.935 33 K CB -0.275 32.202 32.500 -0.037 0.000 0.715 33 K HN 0.539 nan 8.250 nan 0.000 0.439 34 E N -0.950 119.173 120.200 -0.128 0.000 2.208 34 E HA -0.070 4.278 4.350 -0.004 0.000 0.193 34 E C 1.577 178.017 176.600 -0.266 0.000 0.988 34 E CA 1.372 57.678 56.400 -0.157 0.000 0.828 34 E CB 0.152 29.793 29.700 -0.098 0.000 0.763 34 E HN 0.347 nan 8.360 nan 0.000 0.478 35 T N 0.097 114.405 114.554 -0.409 0.000 2.735 35 T HA -0.033 4.314 4.350 -0.004 0.000 0.256 35 T C 0.943 175.531 174.700 -0.187 0.000 1.042 35 T CA 1.033 62.898 62.100 -0.392 0.000 1.147 35 T CB 0.028 68.580 68.868 -0.527 0.000 0.865 35 T HN 0.027 nan 8.240 nan 0.000 0.421 36 T N 2.898 117.368 114.554 -0.139 0.000 2.947 36 T HA 0.344 4.691 4.350 -0.004 0.000 0.337 36 T C -2.159 172.500 174.700 -0.069 0.000 1.139 36 T CA -1.253 60.802 62.100 -0.075 0.000 0.992 36 T CB 1.688 70.531 68.868 -0.043 0.000 1.043 36 T HN 0.070 nan 8.240 nan 0.000 0.498 37 P HA 0.001 nan 4.420 nan 0.000 0.221 37 P C 0.447 177.721 177.300 -0.043 0.000 1.150 37 P CA 0.534 63.603 63.100 -0.051 0.000 0.800 37 P CB 0.263 31.937 31.700 -0.044 0.000 0.787 38 E N 1.207 121.385 120.200 -0.037 0.000 2.180 38 E HA 0.032 4.379 4.350 -0.004 0.000 0.283 38 E C -0.137 176.441 176.600 -0.037 0.000 1.061 38 E CA -0.136 56.245 56.400 -0.032 0.000 0.861 38 E CB -0.924 28.762 29.700 -0.023 0.000 1.056 38 E HN 0.034 nan 8.360 nan 0.000 0.407 39 D N 4.363 124.739 120.400 -0.039 0.000 2.720 39 D HA -0.158 4.479 4.640 -0.004 0.000 0.229 39 D C -2.043 174.226 176.300 -0.051 0.000 1.198 39 D CA 0.365 54.339 54.000 -0.044 0.000 0.639 39 D CB -0.709 40.068 40.800 -0.039 0.000 1.003 39 D HN 0.409 nan 8.370 nan 0.000 0.411 40 P HA 0.365 nan 4.420 nan 0.000 0.271 40 P C -0.802 176.464 177.300 -0.057 0.000 1.216 40 P CA -0.152 62.916 63.100 -0.055 0.000 0.776 40 P CB 1.456 33.123 31.700 -0.055 0.000 0.881 41 A N 2.874 125.662 122.820 -0.053 0.000 2.475 41 A HA 0.753 5.070 4.320 -0.004 0.000 0.301 41 A C -1.639 175.941 177.584 -0.007 0.000 1.059 41 A CA -0.657 51.355 52.037 -0.043 0.000 0.710 41 A CB 1.432 20.392 19.000 -0.066 0.000 1.288 41 A HN 0.520 nan 8.150 nan 0.000 0.408 42 L N 1.026 122.282 121.223 0.055 0.000 2.482 42 L HA 0.799 5.137 4.340 -0.004 0.000 0.263 42 L C -0.332 176.662 176.870 0.208 0.000 0.957 42 L CA -0.043 54.882 54.840 0.141 0.000 0.836 42 L CB 1.887 44.084 42.059 0.229 0.000 1.324 42 L HN 1.178 nan 8.230 nan 0.000 0.406 43 A N 5.636 128.502 122.820 0.075 0.000 2.292 43 A HA 0.632 4.950 4.320 -0.004 0.000 0.319 43 A C -0.370 177.090 177.584 -0.206 0.000 1.206 43 A CA -0.497 51.522 52.037 -0.030 0.000 0.835 43 A CB 0.689 19.633 19.000 -0.093 0.000 1.164 43 A HN 0.831 nan 8.150 nan 0.000 0.505 44 M N 4.386 123.693 119.600 -0.487 0.000 2.201 44 M HA 0.244 4.721 4.480 -0.004 0.000 0.345 44 M C -0.147 175.887 176.300 -0.444 0.000 1.352 44 M CA 0.092 54.961 55.300 -0.718 0.000 1.218 44 M CB 0.055 31.847 32.600 -1.347 0.000 1.512 44 M HN 0.718 nan 8.290 nan 0.000 0.447 45 T N 0.776 115.059 114.554 -0.452 0.000 3.154 45 T HA 0.409 4.757 4.350 -0.004 0.000 0.381 45 T C -0.531 173.745 174.700 -0.707 0.000 1.368 45 T CA -0.951 60.838 62.100 -0.518 0.000 1.155 45 T CB 0.440 68.948 68.868 -0.601 0.000 1.120 45 T HN 0.487 nan 8.240 nan 0.000 0.570 46 D N 1.611 121.734 120.400 -0.462 0.000 2.294 46 D HA 0.167 4.805 4.640 -0.004 0.000 0.250 46 D C 0.364 176.452 176.300 -0.354 0.000 1.058 46 D CA -0.440 53.365 54.000 -0.325 0.000 0.950 46 D CB 0.728 41.486 40.800 -0.071 0.000 1.158 46 D HN 0.538 nan 8.370 nan 0.000 0.453 47 H N 0.567 119.618 119.070 -0.032 0.000 3.289 47 H HA 0.176 4.730 4.556 -0.004 0.000 0.248 47 H C 1.193 176.370 175.328 -0.253 0.000 1.175 47 H CA 0.396 56.329 56.048 -0.193 0.000 1.496 47 H CB -0.222 29.583 29.762 0.072 0.000 1.571 47 H HN 0.692 nan 8.280 nan 0.000 0.495 48 G N 4.031 112.493 108.800 -0.563 0.000 2.323 48 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.292 48 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.292 48 G C 0.067 174.927 174.900 -0.068 0.000 1.040 48 G CA 0.757 45.598 45.100 -0.432 0.000 0.942 48 G HN 0.908 nan 8.290 nan 0.000 0.506 49 N N -2.595 116.069 118.700 -0.060 0.000 3.185 49 N HA 0.540 5.278 4.740 -0.004 0.000 0.238 49 N C -0.393 175.080 175.510 -0.061 0.000 1.451 49 N CA -1.110 51.890 53.050 -0.084 0.000 0.888 49 N CB 0.465 38.522 38.487 -0.715 0.000 1.413 49 N HN 0.151 nan 8.380 nan 0.000 0.511 50 L N 0.737 121.837 121.223 -0.205 0.000 3.122 50 L HA 0.543 4.881 4.340 -0.004 0.000 0.274 50 L C 0.354 177.249 176.870 0.042 0.000 1.222 50 L CA -0.308 54.507 54.840 -0.042 0.000 1.028 50 L CB -0.879 41.164 42.059 -0.026 0.000 1.386 50 L HN 0.747 nan 8.230 nan 0.000 0.578 51 F N -0.008 119.952 119.950 0.016 0.000 2.043 51 F HA -0.282 4.242 4.527 -0.005 0.000 0.297 51 F C 2.316 177.796 175.800 -0.533 0.000 1.118 51 F CA 1.364 59.262 58.000 -0.170 0.000 1.202 51 F CB -0.656 38.208 39.000 -0.228 0.000 0.965 51 F HN 0.308 nan 8.300 nan 0.000 0.482 52 G N -0.607 107.732 108.800 -0.768 0.000 2.443 52 G HA2 -0.126 3.831 3.960 -0.004 0.000 0.219 52 G HA3 -0.126 3.831 3.960 -0.004 0.000 0.219 52 G C 1.749 176.425 174.900 -0.374 0.000 1.131 52 G CA 0.768 45.154 45.100 -1.190 0.000 0.775 52 G HN 0.491 nan 8.290 nan 0.000 0.547 53 A N 0.435 123.174 122.820 -0.135 0.000 1.899 53 A HA -0.263 4.055 4.320 -0.004 0.000 0.230 53 A C 2.605 180.194 177.584 0.007 0.000 1.593 53 A CA 2.983 55.038 52.037 0.030 0.000 0.728 53 A CB -1.162 17.957 19.000 0.198 0.000 0.848 53 A HN 0.466 nan 8.150 nan 0.000 0.490 54 V N -0.387 119.387 119.914 -0.233 0.000 2.270 54 V HA -0.245 3.872 4.120 -0.004 0.000 0.245 54 V C 2.562 178.620 176.094 -0.060 0.000 1.043 54 V CA 2.350 64.495 62.300 -0.257 0.000 1.014 54 V CB -0.817 30.669 31.823 -0.560 0.000 0.645 54 V HN 0.757 nan 8.190 nan 0.000 0.447 55 E N -0.475 119.678 120.200 -0.078 0.000 2.110 55 E HA -0.254 4.094 4.350 -0.004 0.000 0.193 55 E C 2.098 178.743 176.600 0.075 0.000 0.988 55 E CA 1.457 57.860 56.400 0.006 0.000 0.804 55 E CB -0.141 29.573 29.700 0.023 0.000 0.745 55 E HN 0.584 nan 8.360 nan 0.000 0.458 56 F N 0.384 120.307 119.950 -0.046 0.000 2.102 56 F HA -0.245 4.279 4.527 -0.004 0.000 0.298 56 F C 2.174 177.984 175.800 0.018 0.000 1.105 56 F CA 1.809 59.808 58.000 -0.001 0.000 1.239 56 F CB -0.608 38.385 39.000 -0.013 0.000 0.991 56 F HN 0.103 nan 8.300 nan 0.000 0.474 57 Y N 2.031 122.334 120.300 0.005 0.000 2.165 57 Y HA -0.277 4.270 4.550 -0.004 0.000 0.286 57 Y C 2.497 178.299 175.900 -0.163 0.000 1.155 57 Y CA 2.539 60.579 58.100 -0.100 0.000 1.164 57 Y CB -0.547 37.882 38.460 -0.051 0.000 0.978 57 Y HN 0.227 nan 8.280 nan 0.000 0.513 58 K N -0.262 120.137 120.400 -0.001 0.000 2.296 58 K HA -0.038 4.279 4.320 -0.004 0.000 0.200 58 K C 1.785 178.294 176.600 -0.151 0.000 1.048 58 K CA 1.087 57.327 56.287 -0.079 0.000 0.966 58 K CB -0.115 32.403 32.500 0.029 0.000 0.754 58 K HN 0.239 nan 8.250 nan 0.000 0.466 59 K N 0.639 120.944 120.400 -0.159 0.000 2.098 59 K HA 0.072 4.389 4.320 -0.004 0.000 0.203 59 K C 2.294 178.752 176.600 -0.238 0.000 1.051 59 K CA 0.960 57.154 56.287 -0.155 0.000 0.957 59 K CB -0.018 32.427 32.500 -0.092 0.000 0.738 59 K HN 0.236 nan 8.250 nan 0.000 0.447 60 A N 0.765 123.348 122.820 -0.395 0.000 1.930 60 A HA -0.130 4.187 4.320 -0.004 0.000 0.217 60 A C 2.210 179.584 177.584 -0.350 0.000 1.175 60 A CA 1.869 53.649 52.037 -0.430 0.000 0.627 60 A CB -0.792 17.794 19.000 -0.690 0.000 0.815 60 A HN 0.237 nan 8.150 nan 0.000 0.443 61 T N -0.631 113.673 114.554 -0.416 0.000 2.867 61 T HA 0.075 4.422 4.350 -0.004 0.000 0.268 61 T C 1.687 176.242 174.700 -0.242 0.000 1.057 61 T CA 1.513 63.379 62.100 -0.391 0.000 1.136 61 T CB -0.302 68.208 68.868 -0.596 0.000 0.874 61 T HN 0.492 nan 8.240 nan 0.000 0.466 62 A N -0.104 122.597 122.820 -0.199 0.000 2.251 62 A HA 0.380 4.697 4.320 -0.004 0.000 0.209 62 A C 1.931 179.449 177.584 -0.110 0.000 1.187 62 A CA 0.224 52.183 52.037 -0.131 0.000 0.823 62 A CB -0.196 18.742 19.000 -0.103 0.000 0.846 62 A HN 0.492 nan 8.150 nan 0.000 0.486 63 M N -1.694 117.828 119.600 -0.129 0.000 2.333 63 M HA 0.176 4.654 4.480 -0.004 0.000 0.257 63 M C 1.313 177.554 176.300 -0.100 0.000 1.078 63 M CA 0.830 56.069 55.300 -0.101 0.000 1.005 63 M CB 0.586 33.126 32.600 -0.100 0.000 1.444 63 M HN 0.626 nan 8.290 nan 0.000 0.496 64 G N 1.290 110.018 108.800 -0.120 0.000 2.159 64 G HA2 -0.200 3.757 3.960 -0.004 0.000 0.256 64 G HA3 -0.200 3.757 3.960 -0.004 0.000 0.256 64 G C 0.034 174.867 174.900 -0.111 0.000 0.977 64 G CA -0.027 45.009 45.100 -0.106 0.000 0.652 64 G HN 0.323 nan 8.290 nan 0.000 0.531 65 V N 0.825 120.656 119.914 -0.138 0.000 2.607 65 V HA 0.428 4.546 4.120 -0.004 0.000 0.289 65 V C 0.900 176.896 176.094 -0.164 0.000 1.053 65 V CA -0.512 61.707 62.300 -0.135 0.000 0.996 65 V CB 1.811 33.548 31.823 -0.143 0.000 0.995 65 V HN 0.305 nan 8.190 nan 0.000 0.476 66 K N 6.397 126.727 120.400 -0.118 0.000 2.285 66 K HA 0.340 4.657 4.320 -0.004 0.000 0.286 66 K C -2.445 174.112 176.600 -0.071 0.000 1.072 66 K CA -1.620 54.605 56.287 -0.104 0.000 0.913 66 K CB 1.165 33.627 32.500 -0.063 0.000 1.067 66 K HN 0.429 nan 8.250 nan 0.000 0.479 67 P HA 0.234 nan 4.420 nan 0.000 0.278 67 P C -0.728 176.693 177.300 0.202 0.000 1.238 67 P CA -0.263 62.882 63.100 0.075 0.000 0.794 67 P CB 1.054 32.735 31.700 -0.031 0.000 0.955 68 I N 2.799 123.547 120.570 0.297 0.000 2.447 68 I HA 0.345 4.513 4.170 -0.004 0.000 0.287 68 I C 0.268 176.458 176.117 0.122 0.000 1.023 68 I CA -0.822 60.571 61.300 0.156 0.000 1.083 68 I CB 1.724 39.755 38.000 0.052 0.000 1.245 68 I HN 0.139 nan 8.210 nan 0.000 0.434 69 I N 5.646 126.286 120.570 0.117 0.000 2.337 69 I HA 0.445 4.612 4.170 -0.004 0.000 0.291 69 I C 0.825 176.945 176.117 0.005 0.000 1.046 69 I CA 0.323 61.664 61.300 0.069 0.000 1.324 69 I CB 0.731 38.830 38.000 0.165 0.000 1.409 69 I HN 0.693 nan 8.210 nan 0.000 0.494 70 G N 5.035 113.789 108.800 -0.078 0.000 2.816 70 G HA2 0.630 4.588 3.960 -0.004 0.000 0.288 70 G HA3 0.630 4.588 3.960 -0.004 0.000 0.288 70 G C -2.124 172.745 174.900 -0.051 0.000 1.334 70 G CA -0.419 44.625 45.100 -0.094 0.000 0.978 70 G HN 0.378 nan 8.290 nan 0.000 0.493 71 Y N -0.254 119.892 120.300 -0.257 0.000 2.348 71 Y HA 0.437 4.984 4.550 -0.004 0.000 0.321 71 Y C -0.807 174.909 175.900 -0.308 0.000 1.163 71 Y CA -0.804 57.142 58.100 -0.258 0.000 1.070 71 Y CB 1.976 40.325 38.460 -0.185 0.000 1.250 71 Y HN 0.565 nan 8.280 nan 0.000 0.425 72 E N 5.182 124.974 120.200 -0.680 0.000 1.963 72 E HA 0.623 4.971 4.350 -0.004 0.000 0.274 72 E C -0.676 175.384 176.600 -0.900 0.000 1.061 72 E CA -0.431 55.568 56.400 -0.668 0.000 0.847 72 E CB 0.401 29.736 29.700 -0.609 0.000 1.083 72 E HN 0.721 nan 8.360 nan 0.000 0.402 73 A N 4.460 126.899 122.820 -0.635 0.000 2.440 73 A HA 0.156 4.474 4.320 -0.004 0.000 0.251 73 A C -0.922 176.431 177.584 -0.385 0.000 1.089 73 A CA -0.100 51.655 52.037 -0.469 0.000 0.779 73 A CB 0.113 19.167 19.000 0.090 0.000 1.022 73 A HN 0.678 nan 8.150 nan 0.000 0.492 74 Y N 1.476 121.662 120.300 -0.190 0.000 2.393 74 Y HA 0.373 4.920 4.550 -0.004 0.000 0.338 74 Y C 0.640 176.555 175.900 0.026 0.000 1.029 74 Y CA 0.039 58.067 58.100 -0.120 0.000 1.239 74 Y CB 1.226 39.444 38.460 -0.403 0.000 1.170 74 Y HN 0.520 nan 8.280 nan 0.000 0.515 75 V N 3.732 123.835 119.914 0.315 0.000 2.417 75 V HA 0.841 4.958 4.120 -0.004 0.000 0.291 75 V C -0.079 176.234 176.094 0.366 0.000 1.024 75 V CA -0.829 61.647 62.300 0.294 0.000 0.861 75 V CB 0.725 32.714 31.823 0.277 0.000 0.985 75 V HN 0.852 nan 8.190 nan 0.000 0.436 76 A N 5.262 128.239 122.820 0.262 0.000 2.462 76 A HA 0.666 4.983 4.320 -0.004 0.000 0.243 76 A C 1.622 179.385 177.584 0.298 0.000 1.076 76 A CA 0.348 52.537 52.037 0.253 0.000 0.773 76 A CB 0.673 19.759 19.000 0.143 0.000 1.010 76 A HN 2.075 nan 8.150 nan 0.000 0.493 77 A N 1.440 124.459 122.820 0.330 0.000 1.884 77 A HA -0.149 4.168 4.320 -0.004 0.000 0.219 77 A C 1.747 179.470 177.584 0.233 0.000 1.197 77 A CA 2.279 54.541 52.037 0.375 0.000 0.637 77 A CB -0.347 18.842 19.000 0.315 0.000 0.827 77 A HN 0.839 nan 8.150 nan 0.000 0.450 78 E N -1.778 118.520 120.200 0.162 0.000 2.933 78 E HA 0.237 4.584 4.350 -0.004 0.000 0.246 78 E C 0.431 177.084 176.600 0.088 0.000 1.066 78 E CA 0.348 56.816 56.400 0.114 0.000 0.984 78 E CB -0.625 29.131 29.700 0.093 0.000 2.860 78 E HN 0.297 nan 8.360 nan 0.000 0.586 79 S N 0.678 116.422 115.700 0.074 0.000 2.565 79 S HA 0.213 4.680 4.470 -0.004 0.000 0.290 79 S C 0.930 175.527 174.600 -0.004 0.000 1.150 79 S CA -0.590 57.639 58.200 0.049 0.000 1.058 79 S CB 1.046 64.315 63.200 0.115 0.000 1.032 79 S HN 0.341 nan 8.310 nan 0.000 0.510 80 R N 2.314 122.731 120.500 -0.138 0.000 2.280 80 R HA 0.014 4.351 4.340 -0.004 0.000 0.207 80 R C 0.751 176.903 176.300 -0.246 0.000 1.043 80 R CA 1.298 57.270 56.100 -0.214 0.000 1.006 80 R CB -0.547 29.554 30.300 -0.331 0.000 0.885 80 R HN 0.656 nan 8.270 nan 0.000 0.467 81 F N 1.695 121.650 119.950 0.008 0.000 2.664 81 F HA 0.113 4.637 4.527 -0.005 0.000 0.296 81 F C 0.289 176.046 175.800 -0.072 0.000 1.125 81 F CA -0.558 57.431 58.000 -0.018 0.000 1.444 81 F CB 0.081 39.076 39.000 -0.009 0.000 1.114 81 F HN -0.105 nan 8.300 nan 0.000 0.576 82 D N 1.713 122.153 120.400 0.066 0.000 2.493 82 D HA 0.009 4.647 4.640 -0.004 0.000 0.240 82 D C 0.590 176.735 176.300 -0.257 0.000 1.142 82 D CA 0.442 54.416 54.000 -0.044 0.000 0.872 82 D CB 0.508 41.298 40.800 -0.016 0.000 1.173 82 D HN 0.032 nan 8.370 nan 0.000 0.467 83 R N 2.526 122.811 120.500 -0.359 0.000 3.026 83 R HA 0.154 4.491 4.340 -0.004 0.000 0.317 83 R C 0.003 176.004 176.300 -0.497 0.000 1.278 83 R CA -0.509 55.091 56.100 -0.833 0.000 1.407 83 R CB 0.186 30.156 30.300 -0.551 0.000 1.368 83 R HN 0.228 nan 8.270 nan 0.000 0.612 84 K N 1.495 121.727 120.400 -0.280 0.000 2.234 84 K HA 0.249 4.566 4.320 -0.004 0.000 0.282 84 K C 0.225 176.876 176.600 0.084 0.000 1.039 84 K CA -0.153 56.103 56.287 -0.052 0.000 0.928 84 K CB 0.983 33.475 32.500 -0.013 0.000 1.039 84 K HN 0.108 nan 8.250 nan 0.000 0.470 92 G N -1.284 107.426 108.800 -0.150 0.000 3.345 92 G HA2 0.684 4.642 3.960 -0.004 0.000 0.202 92 G HA3 0.684 4.642 3.960 -0.004 0.000 0.202 92 G C -0.640 174.153 174.900 -0.178 0.000 1.740 92 G CA 0.487 45.432 45.100 -0.258 0.000 0.806 92 G HN 1.590 nan 8.290 nan 0.000 0.718 93 Y N -2.055 118.049 120.300 -0.326 0.000 2.581 93 Y HA 0.793 5.341 4.550 -0.005 0.000 0.337 93 Y C -1.762 173.927 175.900 -0.352 0.000 1.108 93 Y CA -2.705 55.286 58.100 -0.183 0.000 1.033 93 Y CB 0.786 39.242 38.460 -0.007 0.000 1.318 93 Y HN 0.314 nan 8.280 nan 0.000 0.459 94 F N 0.417 120.637 119.950 0.451 0.000 2.618 94 F HA 0.569 5.094 4.527 -0.003 0.000 0.332 94 F C 0.222 176.324 175.800 0.502 0.000 1.061 94 F CA -1.022 57.195 58.000 0.361 0.000 0.974 94 F CB 1.658 40.761 39.000 0.172 0.000 1.310 94 F HN 0.579 nan 8.300 nan 0.000 0.491 95 H N 0.618 119.921 119.070 0.388 0.000 2.482 95 H HA 0.662 5.215 4.556 -0.004 0.000 0.344 95 H C -1.314 174.111 175.328 0.162 0.000 1.151 95 H CA -0.909 55.261 56.048 0.203 0.000 1.300 95 H CB 2.138 32.014 29.762 0.190 0.000 1.494 95 H HN 0.318 nan 8.280 nan 0.000 0.542 96 L N 1.402 122.713 121.223 0.147 0.000 2.543 96 L HA 0.184 4.521 4.340 -0.004 0.000 0.265 96 L C -0.787 176.048 176.870 -0.059 0.000 0.945 96 L CA -0.304 54.589 54.840 0.089 0.000 0.869 96 L CB 2.160 44.302 42.059 0.139 0.000 1.294 96 L HN 0.559 nan 8.230 nan 0.000 0.405 97 T N 5.870 120.360 114.554 -0.106 0.000 2.761 97 T HA 0.616 4.963 4.350 -0.004 0.000 0.296 97 T C -0.238 174.345 174.700 -0.195 0.000 0.934 97 T CA -0.060 61.891 62.100 -0.248 0.000 1.091 97 T CB 0.175 68.860 68.868 -0.305 0.000 0.896 97 T HN 0.413 nan 8.240 nan 0.000 0.515 98 L N 4.059 125.186 121.223 -0.160 0.000 2.386 98 L HA 0.655 4.992 4.340 -0.004 0.000 0.271 98 L C -0.629 176.185 176.870 -0.092 0.000 0.993 98 L CA -0.998 53.785 54.840 -0.095 0.000 0.819 98 L CB 1.670 43.751 42.059 0.036 0.000 1.294 98 L HN 0.386 nan 8.230 nan 0.000 0.414 99 L N 2.182 123.355 121.223 -0.082 0.000 2.386 99 L HA 0.746 5.084 4.340 -0.004 0.000 0.271 99 L C -0.162 176.703 176.870 -0.007 0.000 0.993 99 L CA -0.794 54.012 54.840 -0.058 0.000 0.819 99 L CB 2.140 44.147 42.059 -0.085 0.000 1.294 99 L HN 0.675 nan 8.230 nan 0.000 0.414 100 A N 1.938 124.768 122.820 0.017 0.000 2.276 100 A HA 0.408 4.725 4.320 -0.004 0.000 0.300 100 A C 0.649 178.270 177.584 0.061 0.000 1.235 100 A CA -0.495 51.571 52.037 0.048 0.000 0.867 100 A CB 0.600 19.645 19.000 0.076 0.000 1.137 100 A HN 0.930 nan 8.150 nan 0.000 0.527 101 K N 1.384 121.825 120.400 0.068 0.000 2.308 101 K HA 0.181 4.499 4.320 -0.004 0.000 0.197 101 K C -0.113 176.539 176.600 0.087 0.000 1.049 101 K CA 1.013 57.342 56.287 0.069 0.000 0.991 101 K CB 0.122 32.664 32.500 0.070 0.000 0.836 101 K HN 0.706 nan 8.250 nan 0.000 0.500 102 D N -2.055 118.408 120.400 0.105 0.000 2.744 102 D HA 0.111 4.749 4.640 -0.004 0.000 0.304 102 D C 0.122 176.535 176.300 0.189 0.000 1.179 102 D CA -0.942 53.141 54.000 0.139 0.000 1.024 102 D CB -0.029 40.846 40.800 0.124 0.000 1.453 102 D HN -0.148 nan 8.370 nan 0.000 0.529 103 F N 0.178 120.173 119.950 0.074 0.000 2.171 103 F HA -0.071 4.453 4.527 -0.004 0.000 0.300 103 F C 2.062 177.945 175.800 0.138 0.000 1.090 103 F CA 1.721 59.787 58.000 0.110 0.000 1.293 103 F CB -0.389 38.648 39.000 0.061 0.000 1.013 103 F HN 0.390 nan 8.300 nan 0.000 0.486 104 T N -0.371 114.254 114.554 0.118 0.000 2.746 104 T HA -0.136 4.211 4.350 -0.004 0.000 0.267 104 T C 2.226 176.896 174.700 -0.050 0.000 1.039 104 T CA 1.320 63.427 62.100 0.012 0.000 1.142 104 T CB -1.187 67.721 68.868 0.066 0.000 0.866 104 T HN 0.450 nan 8.240 nan 0.000 0.444 105 G N 0.442 109.248 108.800 0.009 0.000 2.491 105 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.218 105 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.218 105 G C 1.343 176.202 174.900 -0.068 0.000 1.180 105 G CA 1.098 46.200 45.100 0.003 0.000 0.774 105 G HN 0.550 nan 8.290 nan 0.000 0.562 106 Y N 1.377 121.555 120.300 -0.203 0.000 2.081 106 Y HA -0.248 4.300 4.550 -0.004 0.000 0.280 106 Y C 3.050 178.730 175.900 -0.367 0.000 1.163 106 Y CA 2.516 60.441 58.100 -0.292 0.000 1.135 106 Y CB -0.538 37.691 38.460 -0.384 0.000 0.970 106 Y HN 0.334 nan 8.280 nan 0.000 0.498 107 Q N -0.195 119.211 119.800 -0.657 0.000 2.061 107 Q HA -0.237 4.101 4.340 -0.004 0.000 0.204 107 Q C 2.018 177.733 176.000 -0.476 0.000 0.984 107 Q CA 1.666 57.094 55.803 -0.624 0.000 0.846 107 Q CB -0.315 28.186 28.738 -0.396 0.000 0.902 107 Q HN 0.502 nan 8.270 nan 0.000 0.421 108 N N 0.534 119.041 118.700 -0.322 0.000 2.166 108 N HA -0.105 4.632 4.740 -0.004 0.000 0.186 108 N C 1.744 177.039 175.510 -0.358 0.000 1.019 108 N CA 0.847 53.736 53.050 -0.268 0.000 0.856 108 N CB -0.220 38.223 38.487 -0.074 0.000 0.993 108 N HN 0.206 nan 8.380 nan 0.000 0.426 109 L N 0.098 121.098 121.223 -0.371 0.000 2.042 109 L HA -0.148 4.190 4.340 -0.004 0.000 0.210 109 L C 2.100 178.632 176.870 -0.565 0.000 1.076 109 L CA 0.886 55.455 54.840 -0.452 0.000 0.749 109 L CB -0.478 41.364 42.059 -0.362 0.000 0.893 109 L HN 0.005 nan 8.230 nan 0.000 0.432 110 V N -0.100 119.448 119.914 -0.610 0.000 2.332 110 V HA -0.314 3.804 4.120 -0.004 0.000 0.248 110 V C 2.592 178.420 176.094 -0.443 0.000 1.055 110 V CA 1.860 63.827 62.300 -0.555 0.000 1.038 110 V CB -0.627 30.808 31.823 -0.647 0.000 0.651 110 V HN 0.434 nan 8.190 nan 0.000 0.450 111 R N -0.422 119.796 120.500 -0.470 0.000 2.066 111 R HA -0.065 4.272 4.340 -0.004 0.000 0.232 111 R C 2.305 178.336 176.300 -0.448 0.000 1.131 111 R CA 1.386 57.200 56.100 -0.477 0.000 0.955 111 R CB -0.495 29.380 30.300 -0.707 0.000 0.851 111 R HN 0.385 nan 8.270 nan 0.000 0.432 112 L N 0.290 121.219 121.223 -0.490 0.000 1.989 112 L HA -0.210 4.127 4.340 -0.004 0.000 0.211 112 L C 2.702 179.378 176.870 -0.322 0.000 1.071 112 L CA 1.489 56.120 54.840 -0.348 0.000 0.749 112 L CB -0.675 41.188 42.059 -0.325 0.000 0.890 112 L HN 0.284 nan 8.230 nan 0.000 0.431 113 A N -0.923 121.589 122.820 -0.513 0.000 1.978 113 A HA -0.217 4.100 4.320 -0.004 0.000 0.220 113 A C 2.497 180.056 177.584 -0.042 0.000 1.170 113 A CA 2.241 54.075 52.037 -0.338 0.000 0.636 113 A CB -0.585 18.168 19.000 -0.412 0.000 0.810 113 A HN 0.406 nan 8.150 nan 0.000 0.448 114 S N -0.890 114.741 115.700 -0.115 0.000 2.345 114 S HA -0.096 4.372 4.470 -0.004 0.000 0.219 114 S C 2.109 176.727 174.600 0.031 0.000 1.031 114 S CA 1.228 59.411 58.200 -0.029 0.000 0.984 114 S CB -0.267 62.867 63.200 -0.110 0.000 0.874 114 S HN 0.620 nan 8.310 nan 0.000 0.451 115 R N 1.082 121.560 120.500 -0.036 0.000 2.096 115 R HA -0.001 4.337 4.340 -0.004 0.000 0.235 115 R C 2.531 178.845 176.300 0.024 0.000 1.127 115 R CA 1.111 57.207 56.100 -0.007 0.000 0.968 115 R CB -0.496 29.783 30.300 -0.034 0.000 0.861 115 R HN 0.392 nan 8.270 nan 0.000 0.440 116 A N 0.110 122.941 122.820 0.019 0.000 1.948 116 A HA -0.224 4.093 4.320 -0.004 0.000 0.220 116 A C 1.785 179.394 177.584 0.041 0.000 1.177 116 A CA 1.401 53.448 52.037 0.015 0.000 0.636 116 A CB -0.619 18.397 19.000 0.026 0.000 0.815 116 A HN 0.392 nan 8.150 nan 0.000 0.449 117 Y N -0.775 119.600 120.300 0.126 0.000 2.269 117 Y HA 0.086 4.633 4.550 -0.005 0.000 0.294 117 Y C 2.200 178.153 175.900 0.089 0.000 1.120 117 Y CA 1.102 59.280 58.100 0.129 0.000 1.159 117 Y CB -0.001 38.486 38.460 0.045 0.000 1.024 117 Y HN 0.149 nan 8.280 nan 0.000 0.532 118 L N -0.766 120.584 121.223 0.211 0.000 2.209 118 L HA -0.078 4.259 4.340 -0.004 0.000 0.207 118 L C 1.498 178.454 176.870 0.143 0.000 1.094 118 L CA 1.371 56.295 54.840 0.139 0.000 0.790 118 L CB -0.154 41.957 42.059 0.086 0.000 0.932 118 L HN 0.233 nan 8.230 nan 0.000 0.447 119 E N -0.862 119.408 120.200 0.117 0.000 2.399 119 E HA 0.091 4.438 4.350 -0.004 0.000 0.205 119 E C 1.497 178.107 176.600 0.016 0.000 0.906 119 E CA 0.410 56.869 56.400 0.097 0.000 0.998 119 E CB 0.548 30.248 29.700 -0.001 0.000 1.002 119 E HN 0.338 nan 8.360 nan 0.000 0.501 120 G N 0.644 109.458 108.800 0.024 0.000 3.774 120 G HA2 0.089 4.047 3.960 -0.004 0.000 0.287 120 G HA3 0.089 4.047 3.960 -0.004 0.000 0.287 120 G C -0.651 174.294 174.900 0.075 0.000 1.030 120 G CA -0.429 44.658 45.100 -0.021 0.000 0.824 120 G HN 0.025 nan 8.290 nan 0.000 0.518 121 F N 2.094 122.061 119.950 0.028 0.000 2.404 121 F HA 0.521 5.045 4.527 -0.005 0.000 0.359 121 F C 0.812 176.700 175.800 0.147 0.000 1.134 121 F CA -1.152 56.875 58.000 0.046 0.000 1.160 121 F CB 0.767 39.824 39.000 0.095 0.000 1.186 121 F HN 0.125 nan 8.300 nan 0.000 0.526 122 Y N 3.906 123.904 120.300 -0.503 0.000 2.435 122 Y HA 0.201 4.748 4.550 -0.004 0.000 0.251 122 Y C 1.472 177.016 175.900 -0.593 0.000 1.077 122 Y CA 1.232 59.114 58.100 -0.363 0.000 1.243 122 Y CB -0.140 38.214 38.460 -0.177 0.000 1.107 122 Y HN 0.577 nan 8.280 nan 0.000 0.496 123 E N -0.409 119.335 120.200 -0.760 0.000 2.290 123 E HA 0.127 4.474 4.350 -0.004 0.000 0.199 123 E C 0.027 176.120 176.600 -0.845 0.000 0.912 123 E CA 0.156 56.122 56.400 -0.723 0.000 0.924 123 E CB 0.607 30.001 29.700 -0.511 0.000 0.901 123 E HN 0.033 nan 8.360 nan 0.000 0.487 124 K N 1.125 120.960 120.400 -0.940 0.000 2.295 124 K HA 0.370 4.687 4.320 -0.004 0.000 0.239 124 K C -2.675 173.425 176.600 -0.834 0.000 0.991 124 K CA -2.389 53.342 56.287 -0.927 0.000 0.845 124 K CB 1.370 32.961 32.500 -1.515 0.000 1.197 124 K HN -0.117 nan 8.250 nan 0.000 0.441 125 P HA 0.278 nan 4.420 nan 0.000 0.281 125 P C -0.920 176.288 177.300 -0.154 0.000 1.286 125 P CA -0.220 62.750 63.100 -0.217 0.000 0.772 125 P CB 0.598 31.878 31.700 -0.700 0.000 0.862 126 R N 2.999 123.437 120.500 -0.103 0.000 2.778 126 R HA 0.732 5.069 4.340 -0.004 0.000 0.277 126 R C 0.494 176.805 176.300 0.017 0.000 0.977 126 R CA -1.034 55.054 56.100 -0.020 0.000 0.950 126 R CB 1.790 32.072 30.300 -0.030 0.000 1.165 126 R HN 0.487 nan 8.270 nan 0.000 0.474 127 I N -2.726 117.886 120.570 0.069 0.000 3.237 127 I HA 0.611 4.778 4.170 -0.004 0.000 0.308 127 I C -0.836 175.315 176.117 0.057 0.000 1.093 127 I CA -1.035 60.297 61.300 0.053 0.000 1.001 127 I CB 2.010 40.069 38.000 0.098 0.000 1.245 127 I HN 0.245 nan 8.210 nan 0.000 0.485 128 D N 0.612 121.032 120.400 0.033 0.000 2.269 128 D HA 0.408 5.046 4.640 -0.004 0.000 0.244 128 D C 0.538 176.872 176.300 0.057 0.000 0.992 128 D CA -0.501 53.518 54.000 0.033 0.000 0.894 128 D CB 2.382 43.171 40.800 -0.018 0.000 1.248 128 D HN 0.481 nan 8.370 nan 0.000 0.468 129 R N 0.472 121.008 120.500 0.060 0.000 2.148 129 R HA -0.093 4.245 4.340 -0.004 0.000 0.227 129 R C 1.632 177.927 176.300 -0.008 0.000 1.103 129 R CA 0.861 56.985 56.100 0.040 0.000 0.983 129 R CB 0.236 30.560 30.300 0.040 0.000 0.874 129 R HN 0.556 nan 8.270 nan 0.000 0.451 130 E N 1.163 121.358 120.200 -0.007 0.000 2.017 130 E HA -0.212 4.135 4.350 -0.004 0.000 0.193 130 E C 1.953 178.524 176.600 -0.048 0.000 0.997 130 E CA 1.659 58.041 56.400 -0.029 0.000 0.804 130 E CB -0.090 29.603 29.700 -0.011 0.000 0.757 130 E HN 0.432 nan 8.360 nan 0.000 0.448 131 I N -1.050 119.506 120.570 -0.023 0.000 2.493 131 I HA -0.152 4.015 4.170 -0.004 0.000 0.254 131 I C 2.326 178.455 176.117 0.020 0.000 1.160 131 I CA 0.729 62.026 61.300 -0.007 0.000 1.445 131 I CB -0.237 37.794 38.000 0.051 0.000 1.086 131 I HN 0.145 nan 8.210 nan 0.000 0.433 132 L N 1.235 122.471 121.223 0.022 0.000 2.017 132 L HA -0.204 4.133 4.340 -0.004 0.000 0.208 132 L C 3.030 179.830 176.870 -0.117 0.000 1.073 132 L CA 1.811 56.663 54.840 0.021 0.000 0.745 132 L CB -0.464 41.634 42.059 0.065 0.000 0.894 132 L HN 0.379 nan 8.230 nan 0.000 0.432 133 R N 0.077 120.479 120.500 -0.164 0.000 2.105 133 R HA -0.249 4.088 4.340 -0.004 0.000 0.239 133 R C 2.136 178.308 176.300 -0.213 0.000 1.135 133 R CA 1.927 57.892 56.100 -0.226 0.000 0.967 133 R CB -0.197 29.998 30.300 -0.175 0.000 0.861 133 R HN 0.418 nan 8.270 nan 0.000 0.442 134 E N -0.537 119.525 120.200 -0.231 0.000 2.072 134 E HA -0.173 4.175 4.350 -0.004 0.000 0.191 134 E C 0.312 176.650 176.600 -0.437 0.000 0.985 134 E CA 0.907 57.088 56.400 -0.366 0.000 0.801 134 E CB 0.141 29.544 29.700 -0.496 0.000 0.750 134 E HN 0.529 nan 8.360 nan 0.000 0.452 135 H N -1.195 117.825 119.070 -0.083 0.000 2.490 135 H HA 0.329 4.883 4.556 -0.004 0.000 0.285 135 H C 0.482 175.773 175.328 -0.062 0.000 1.127 135 H CA 0.433 56.436 56.048 -0.075 0.000 0.993 135 H CB 0.951 30.664 29.762 -0.082 0.000 1.653 135 H HN 0.179 nan 8.280 nan 0.000 0.557 136 A N 0.180 122.976 122.820 -0.039 0.000 2.081 136 A HA -0.047 4.271 4.320 -0.004 0.000 0.214 136 A C 1.347 178.955 177.584 0.040 0.000 1.158 136 A CA 0.006 52.001 52.037 -0.069 0.000 0.724 136 A CB 0.085 18.849 19.000 -0.394 0.000 0.826 136 A HN 0.377 nan 8.150 nan 0.000 0.463 137 Q N 0.075 119.887 119.800 0.019 0.000 2.255 137 Q HA 0.312 4.649 4.340 -0.004 0.000 0.280 137 Q C 0.872 176.913 176.000 0.068 0.000 1.068 137 Q CA 0.838 56.665 55.803 0.041 0.000 0.911 137 Q CB -0.085 28.666 28.738 0.021 0.000 1.157 137 Q HN 0.901 nan 8.270 nan 0.000 0.380 138 G N 3.690 112.544 108.800 0.090 0.000 2.132 138 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.234 138 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.234 138 G C -0.277 174.688 174.900 0.109 0.000 0.989 138 G CA -0.005 45.149 45.100 0.090 0.000 0.676 138 G HN 0.532 nan 8.290 nan 0.000 0.522 139 L N 0.417 121.741 121.223 0.169 0.000 2.341 139 L HA 0.655 4.993 4.340 -0.004 0.000 0.278 139 L C 0.452 177.433 176.870 0.185 0.000 1.005 139 L CA -1.103 53.851 54.840 0.189 0.000 0.818 139 L CB 1.857 44.092 42.059 0.294 0.000 1.259 139 L HN 0.008 nan 8.230 nan 0.000 0.418 140 I N 2.265 122.873 120.570 0.063 0.000 2.385 140 I HA 0.555 4.722 4.170 -0.004 0.000 0.294 140 I C 0.247 176.237 176.117 -0.211 0.000 0.988 140 I CA -0.173 61.130 61.300 0.005 0.000 1.265 140 I CB 1.857 39.897 38.000 0.066 0.000 1.388 140 I HN 0.664 nan 8.210 nan 0.000 0.480 141 A N 7.390 129.953 122.820 -0.429 0.000 2.374 141 A HA 0.917 5.234 4.320 -0.004 0.000 0.317 141 A C -0.970 176.305 177.584 -0.515 0.000 1.094 141 A CA -0.567 51.110 52.037 -0.600 0.000 0.765 141 A CB 1.211 19.500 19.000 -1.185 0.000 1.268 141 A HN 0.650 nan 8.150 nan 0.000 0.438 142 L N 1.520 122.480 121.223 -0.438 0.000 2.365 142 L HA 0.396 4.734 4.340 -0.004 0.000 0.273 142 L C 1.595 178.242 176.870 -0.373 0.000 1.000 142 L CA -0.380 54.204 54.840 -0.426 0.000 0.819 142 L CB 2.001 43.929 42.059 -0.219 0.000 1.284 142 L HN 0.959 nan 8.230 nan 0.000 0.418 143 S N 1.489 116.951 115.700 -0.398 0.000 2.423 143 S HA -0.023 4.445 4.470 -0.004 0.000 0.238 143 S C 0.921 175.572 174.600 0.085 0.000 1.028 143 S CA 0.773 58.948 58.200 -0.042 0.000 1.000 143 S CB -0.550 62.707 63.200 0.095 0.000 0.797 143 S HN 1.438 nan 8.310 nan 0.000 0.487 144 G N -0.204 108.633 108.800 0.062 0.000 2.661 144 G HA2 -0.102 3.856 3.960 -0.004 0.000 0.685 144 G HA3 -0.102 3.856 3.960 -0.004 0.000 0.685 144 G C 0.061 175.072 174.900 0.186 0.000 1.298 144 G CA -0.479 44.712 45.100 0.151 0.000 0.855 144 G HN 1.600 nan 8.290 nan 0.000 0.560 145 C N -0.381 119.073 119.300 0.256 0.000 2.705 145 C HA 0.615 5.072 4.460 -0.004 0.000 0.348 145 C C 2.396 177.466 174.990 0.134 0.000 1.386 145 C CA -0.042 59.097 59.018 0.202 0.000 2.361 145 C CB -0.554 27.336 27.740 0.250 0.000 2.486 145 C HN 0.974 nan 8.230 nan 0.000 0.728 146 L N 1.331 122.613 121.223 0.098 0.000 2.137 146 L HA -0.072 4.265 4.340 -0.004 0.000 0.213 146 L C 2.641 179.523 176.870 0.021 0.000 1.085 146 L CA 1.908 56.785 54.840 0.062 0.000 0.760 146 L CB -0.797 41.291 42.059 0.049 0.000 0.893 146 L HN 1.081 nan 8.230 nan 0.000 0.434 147 G N -1.118 107.644 108.800 -0.063 0.000 2.920 147 G HA2 0.224 4.182 3.960 -0.004 0.000 0.208 147 G HA3 0.224 4.182 3.960 -0.004 0.000 0.208 147 G C 0.690 175.616 174.900 0.042 0.000 1.159 147 G CA 0.407 45.403 45.100 -0.173 0.000 0.784 147 G HN 0.399 nan 8.290 nan 0.000 0.535 148 A N 0.231 123.141 122.820 0.151 0.000 2.280 148 A HA 0.516 4.833 4.320 -0.004 0.000 0.268 148 A C 1.204 178.885 177.584 0.161 0.000 1.111 148 A CA 0.040 52.232 52.037 0.257 0.000 0.814 148 A CB 0.605 19.738 19.000 0.222 0.000 1.093 148 A HN 0.315 nan 8.150 nan 0.000 0.498 149 E N -0.090 120.098 120.200 -0.020 0.000 2.017 149 E HA -0.168 4.179 4.350 -0.004 0.000 0.193 149 E C 1.675 178.208 176.600 -0.112 0.000 0.997 149 E CA 1.572 57.684 56.400 -0.480 0.000 0.804 149 E CB -0.353 29.119 29.700 -0.380 0.000 0.757 149 E HN 0.672 nan 8.360 nan 0.000 0.448 150 I N 1.630 122.298 120.570 0.163 0.000 2.099 150 I HA -0.198 3.970 4.170 -0.004 0.000 0.239 150 I C -0.637 175.637 176.117 0.261 0.000 1.066 150 I CA 1.061 62.544 61.300 0.304 0.000 1.324 150 I CB -1.450 36.723 38.000 0.289 0.000 1.037 150 I HN 0.114 nan 8.210 nan 0.000 0.401 151 P HA -0.217 nan 4.420 nan 0.000 0.216 151 P C 1.488 178.851 177.300 0.106 0.000 1.150 151 P CA 1.595 64.784 63.100 0.148 0.000 0.837 151 P CB -0.050 31.726 31.700 0.126 0.000 0.786 152 Q N -0.360 119.467 119.800 0.046 0.000 2.096 152 Q HA -0.126 4.211 4.340 -0.004 0.000 0.204 152 Q C 2.097 178.072 176.000 -0.042 0.000 0.982 152 Q CA 1.770 57.559 55.803 -0.022 0.000 0.850 152 Q CB -1.245 27.474 28.738 -0.032 0.000 0.901 152 Q HN 0.222 nan 8.270 nan 0.000 0.422 153 F N -0.664 119.323 119.950 0.062 0.000 2.171 153 F HA -0.137 4.388 4.527 -0.004 0.000 0.300 153 F C 1.965 177.810 175.800 0.076 0.000 1.090 153 F CA 0.711 58.745 58.000 0.057 0.000 1.293 153 F CB -0.149 38.870 39.000 0.033 0.000 1.013 153 F HN 0.073 nan 8.300 nan 0.000 0.486 154 I N -0.188 120.540 120.570 0.263 0.000 2.226 154 I HA -0.314 3.853 4.170 -0.004 0.000 0.245 154 I C 2.281 178.468 176.117 0.117 0.000 1.100 154 I CA 1.219 62.622 61.300 0.171 0.000 1.374 154 I CB -0.500 37.581 38.000 0.135 0.000 1.057 154 I HN 0.125 nan 8.210 nan 0.000 0.413 155 L N 0.008 121.291 121.223 0.101 0.000 2.127 155 L HA -0.242 4.095 4.340 -0.004 0.000 0.211 155 L C 2.112 179.025 176.870 0.072 0.000 1.089 155 L CA 1.414 56.297 54.840 0.072 0.000 0.757 155 L CB -0.356 41.735 42.059 0.055 0.000 0.899 155 L HN 0.366 nan 8.230 nan 0.000 0.434 156 Q N -0.941 118.917 119.800 0.096 0.000 2.365 156 Q HA -0.060 4.278 4.340 -0.004 0.000 0.203 156 Q C -0.249 175.814 176.000 0.104 0.000 0.929 156 Q CA -0.008 55.854 55.803 0.097 0.000 0.948 156 Q CB 0.418 29.228 28.738 0.120 0.000 1.043 156 Q HN 0.288 nan 8.270 nan 0.000 0.505 157 D N 0.076 120.536 120.400 0.101 0.000 3.079 157 D HA -0.149 4.488 4.640 -0.004 0.000 0.214 157 D C -0.485 175.873 176.300 0.098 0.000 1.145 157 D CA 0.734 54.785 54.000 0.085 0.000 0.958 157 D CB -0.477 40.360 40.800 0.061 0.000 1.117 157 D HN 0.204 nan 8.370 nan 0.000 0.416 158 R N 0.775 121.360 120.500 0.141 0.000 3.570 158 R HA 0.296 4.634 4.340 -0.004 0.000 0.233 158 R C 1.693 178.067 176.300 0.123 0.000 1.492 158 R CA -0.267 55.911 56.100 0.130 0.000 1.504 158 R CB -0.445 29.960 30.300 0.176 0.000 1.314 158 R HN 0.304 nan 8.270 nan 0.000 0.687 159 L N 0.574 121.865 121.223 0.114 0.000 2.131 159 L HA -0.235 4.103 4.340 -0.004 0.000 0.210 159 L C 2.071 179.027 176.870 0.144 0.000 1.092 159 L CA 1.504 56.438 54.840 0.157 0.000 0.759 159 L CB -0.308 41.826 42.059 0.125 0.000 0.903 159 L HN 0.365 nan 8.230 nan 0.000 0.435 160 D N 0.709 121.145 120.400 0.060 0.000 2.117 160 D HA -0.216 4.421 4.640 -0.004 0.000 0.197 160 D C 2.107 178.344 176.300 -0.105 0.000 0.987 160 D CA 1.378 55.379 54.000 0.002 0.000 0.829 160 D CB -0.483 40.313 40.800 -0.006 0.000 0.961 160 D HN 0.359 nan 8.370 nan 0.000 0.460 161 L N 0.424 121.528 121.223 -0.199 0.000 2.093 161 L HA -0.013 4.325 4.340 -0.004 0.000 0.208 161 L C 2.937 179.425 176.870 -0.636 0.000 1.085 161 L CA 1.049 55.584 54.840 -0.509 0.000 0.755 161 L CB -0.551 41.031 42.059 -0.795 0.000 0.904 161 L HN 0.068 nan 8.230 nan 0.000 0.435 162 A N -0.029 122.595 122.820 -0.327 0.000 1.877 162 A HA -0.249 4.069 4.320 -0.004 0.000 0.216 162 A C 2.267 179.754 177.584 -0.161 0.000 1.186 162 A CA 1.815 53.818 52.037 -0.057 0.000 0.620 162 A CB -0.475 18.724 19.000 0.331 0.000 0.822 162 A HN 0.431 nan 8.150 nan 0.000 0.443 163 E N -0.363 119.736 120.200 -0.169 0.000 2.072 163 E HA -0.082 4.265 4.350 -0.004 0.000 0.191 163 E C 2.181 178.560 176.600 -0.368 0.000 0.985 163 E CA 0.849 56.975 56.400 -0.457 0.000 0.801 163 E CB -0.222 29.366 29.700 -0.186 0.000 0.750 163 E HN 0.547 nan 8.360 nan 0.000 0.452 164 A N 1.108 123.773 122.820 -0.259 0.000 1.908 164 A HA -0.216 4.101 4.320 -0.004 0.000 0.218 164 A C 2.141 179.560 177.584 -0.274 0.000 1.181 164 A CA 1.769 53.663 52.037 -0.239 0.000 0.627 164 A CB -0.455 18.419 19.000 -0.210 0.000 0.818 164 A HN 0.095 nan 8.150 nan 0.000 0.445 165 R N -0.557 119.756 120.500 -0.311 0.000 2.090 165 R HA -0.018 4.319 4.340 -0.004 0.000 0.228 165 R C 1.870 177.997 176.300 -0.288 0.000 1.110 165 R CA 1.373 57.323 56.100 -0.250 0.000 0.973 165 R CB -0.842 29.347 30.300 -0.185 0.000 0.869 165 R HN 0.436 nan 8.270 nan 0.000 0.440 166 L N 0.749 121.744 121.223 -0.381 0.000 2.012 166 L HA -0.144 4.194 4.340 -0.004 0.000 0.210 166 L C 1.223 177.732 176.870 -0.602 0.000 1.073 166 L CA 2.144 56.660 54.840 -0.540 0.000 0.748 166 L CB -0.779 40.841 42.059 -0.732 0.000 0.891 166 L HN 0.294 nan 8.230 nan 0.000 0.431 167 N N -0.725 117.662 118.700 -0.522 0.000 2.104 167 N HA -0.237 4.500 4.740 -0.004 0.000 0.190 167 N C 1.811 177.139 175.510 -0.303 0.000 1.024 167 N CA 1.450 54.260 53.050 -0.399 0.000 0.853 167 N CB -0.221 38.105 38.487 -0.269 0.000 1.008 167 N HN 0.494 nan 8.380 nan 0.000 0.424 168 E N 0.732 120.774 120.200 -0.264 0.000 2.058 168 E HA -0.237 4.111 4.350 -0.004 0.000 0.194 168 E C 0.976 177.445 176.600 -0.218 0.000 0.997 168 E CA 1.222 57.502 56.400 -0.200 0.000 0.801 168 E CB 0.067 29.674 29.700 -0.155 0.000 0.746 168 E HN 0.322 nan 8.360 nan 0.000 0.450 169 D N 0.196 120.419 120.400 -0.296 0.000 2.178 169 D HA -0.123 4.515 4.640 -0.004 0.000 0.202 169 D C 2.130 178.233 176.300 -0.328 0.000 0.974 169 D CA 0.618 54.434 54.000 -0.308 0.000 0.841 169 D CB -0.037 40.411 40.800 -0.587 0.000 0.953 169 D HN 0.243 nan 8.370 nan 0.000 0.478 170 L N 0.513 121.475 121.223 -0.435 0.000 2.093 170 L HA -0.132 4.205 4.340 -0.004 0.000 0.208 170 L C 2.483 179.262 176.870 -0.152 0.000 1.085 170 L CA 0.844 55.515 54.840 -0.281 0.000 0.755 170 L CB -0.353 41.523 42.059 -0.305 0.000 0.904 170 L HN -0.021 nan 8.230 nan 0.000 0.435 171 S N -0.250 115.348 115.700 -0.170 0.000 2.474 171 S HA -0.064 4.404 4.470 -0.004 0.000 0.235 171 S C 1.778 176.289 174.600 -0.149 0.000 0.997 171 S CA 0.832 58.952 58.200 -0.133 0.000 0.949 171 S CB -0.117 63.005 63.200 -0.130 0.000 0.766 171 S HN 0.361 nan 8.310 nan 0.000 0.517 172 I N -1.084 119.370 120.570 -0.194 0.000 2.729 172 I HA 0.163 4.331 4.170 -0.004 0.000 0.256 172 I C 1.286 177.163 176.117 -0.400 0.000 1.115 172 I CA 0.789 61.880 61.300 -0.348 0.000 1.446 172 I CB -0.051 37.639 38.000 -0.518 0.000 1.176 172 I HN 0.262 nan 8.210 nan 0.000 0.446 173 F N 0.482 120.418 119.950 -0.025 0.000 2.731 173 F HA 0.349 4.873 4.527 -0.004 0.000 0.298 173 F C 1.718 177.525 175.800 0.011 0.000 1.106 173 F CA 0.435 58.454 58.000 0.033 0.000 1.329 173 F CB 0.102 39.187 39.000 0.141 0.000 1.100 173 F HN 0.144 nan 8.300 nan 0.000 0.592 174 G N 1.745 110.615 108.800 0.116 0.000 2.583 174 G HA2 -0.422 3.535 3.960 -0.004 0.000 0.292 174 G HA3 -0.422 3.535 3.960 -0.004 0.000 0.292 174 G C 0.408 175.337 174.900 0.048 0.000 1.203 174 G CA 0.564 45.696 45.100 0.053 0.000 0.987 174 G HN 0.377 nan 8.290 nan 0.000 0.554 175 D N 0.772 121.179 120.400 0.011 0.000 2.325 175 D HA 0.116 4.754 4.640 -0.004 0.000 0.234 175 D C 1.702 177.900 176.300 -0.170 0.000 1.122 175 D CA 0.285 54.240 54.000 -0.076 0.000 0.850 175 D CB -0.188 40.586 40.800 -0.042 0.000 0.921 175 D HN 0.595 nan 8.370 nan 0.000 0.513 176 R N -0.422 120.061 120.500 -0.027 0.000 2.466 176 R HA 0.199 4.536 4.340 -0.004 0.000 0.279 176 R C -0.464 175.795 176.300 -0.067 0.000 0.976 176 R CA -0.410 55.699 56.100 0.015 0.000 1.081 176 R CB 0.041 30.452 30.300 0.186 0.000 1.215 176 R HN 0.112 nan 8.270 nan 0.000 0.546 177 F N 0.837 120.580 119.950 -0.345 0.000 2.427 177 F HA 0.417 4.941 4.527 -0.004 0.000 0.346 177 F C -0.715 174.787 175.800 -0.496 0.000 1.120 177 F CA -0.982 56.840 58.000 -0.297 0.000 1.033 177 F CB 0.665 39.587 39.000 -0.129 0.000 1.126 177 F HN -0.231 nan 8.300 nan 0.000 0.462 178 F N 5.560 125.155 119.950 -0.591 0.000 2.561 178 F HA 0.478 5.002 4.527 -0.004 0.000 0.321 178 F C -0.430 175.125 175.800 -0.409 0.000 1.065 178 F CA -1.172 56.636 58.000 -0.319 0.000 0.934 178 F CB 1.408 40.272 39.000 -0.227 0.000 1.215 178 F HN 0.074 nan 8.300 nan 0.000 0.471 179 I N 1.865 122.482 120.570 0.078 0.000 2.379 179 I HA 0.094 4.262 4.170 -0.004 0.000 0.290 179 I C 0.245 176.386 176.117 0.039 0.000 1.063 179 I CA -0.042 61.309 61.300 0.085 0.000 1.351 179 I CB 0.439 38.558 38.000 0.198 0.000 1.410 179 I HN 0.681 nan 8.210 nan 0.000 0.505 180 E N 7.072 127.265 120.200 -0.011 0.000 2.229 180 E HA 0.405 4.753 4.350 -0.004 0.000 0.283 180 E C -0.946 175.641 176.600 -0.021 0.000 1.030 180 E CA -0.380 56.004 56.400 -0.027 0.000 0.836 180 E CB 0.954 30.644 29.700 -0.017 0.000 1.068 180 E HN 0.471 nan 8.360 nan 0.000 0.401 181 I N 5.604 126.117 120.570 -0.094 0.000 2.411 181 I HA 0.155 4.322 4.170 -0.004 0.000 0.284 181 I C -0.429 175.540 176.117 -0.247 0.000 1.012 181 I CA -0.531 60.657 61.300 -0.187 0.000 1.119 181 I CB 1.367 39.157 38.000 -0.349 0.000 1.261 181 I HN 0.523 nan 8.210 nan 0.000 0.448 182 Q N 4.963 124.642 119.800 -0.201 0.000 2.413 182 Q HA 0.606 4.944 4.340 -0.004 0.000 0.276 182 Q C -1.294 174.514 176.000 -0.320 0.000 1.099 182 Q CA -1.101 54.538 55.803 -0.274 0.000 0.814 182 Q CB 2.926 31.552 28.738 -0.187 0.000 1.379 182 Q HN 0.465 nan 8.270 nan 0.000 0.436 183 N N 0.426 118.831 118.700 -0.491 0.000 2.500 183 N HA 0.331 5.068 4.740 -0.004 0.000 0.291 183 N C -1.964 173.185 175.510 -0.602 0.000 1.092 183 N CA -0.084 52.727 53.050 -0.398 0.000 0.890 183 N CB 1.256 39.620 38.487 -0.204 0.000 1.466 183 N HN 0.689 nan 8.380 nan 0.000 0.507 184 H N 0.397 119.381 119.070 -0.143 0.000 2.810 184 H HA 0.429 4.983 4.556 -0.004 0.000 0.316 184 H C 1.356 176.644 175.328 -0.066 0.000 1.426 184 H CA -0.584 55.360 56.048 -0.175 0.000 1.413 184 H CB 0.901 30.470 29.762 -0.322 0.000 1.874 184 H HN 0.556 nan 8.280 nan 0.000 0.737 185 G N 0.109 108.963 108.800 0.089 0.000 2.564 185 G HA2 -0.125 3.832 3.960 -0.004 0.000 0.216 185 G HA3 -0.125 3.832 3.960 -0.004 0.000 0.216 185 G C 0.263 175.208 174.900 0.075 0.000 1.124 185 G CA 0.243 45.385 45.100 0.069 0.000 0.764 185 G HN 0.306 nan 8.290 nan 0.000 0.550 186 L N 1.304 122.584 121.223 0.096 0.000 2.499 186 L HA 0.094 4.431 4.340 -0.004 0.000 0.273 186 L C -0.641 176.274 176.870 0.075 0.000 1.195 186 L CA -1.240 53.654 54.840 0.091 0.000 0.882 186 L CB 0.955 43.084 42.059 0.116 0.000 1.133 186 L HN 0.022 nan 8.230 nan 0.000 0.483 187 P HA -0.106 nan 4.420 nan 0.000 0.221 187 P C 0.794 178.128 177.300 0.056 0.000 1.150 187 P CA 1.000 64.133 63.100 0.055 0.000 0.800 187 P CB 0.379 32.107 31.700 0.046 0.000 0.787 188 E N 0.168 120.403 120.200 0.059 0.000 2.152 188 E HA -0.138 4.209 4.350 -0.004 0.000 0.192 188 E C 2.317 178.959 176.600 0.070 0.000 0.983 188 E CA 0.910 57.345 56.400 0.059 0.000 0.818 188 E CB -0.604 29.129 29.700 0.055 0.000 0.758 188 E HN 0.320 nan 8.360 nan 0.000 0.467 189 Q N 0.525 120.373 119.800 0.079 0.000 2.170 189 Q HA -0.145 4.193 4.340 -0.004 0.000 0.203 189 Q C 2.038 178.096 176.000 0.097 0.000 0.976 189 Q CA 1.150 57.004 55.803 0.085 0.000 0.858 189 Q CB 0.020 28.805 28.738 0.078 0.000 0.907 189 Q HN 0.089 nan 8.270 nan 0.000 0.433 190 K N 0.930 121.383 120.400 0.089 0.000 2.026 190 K HA -0.219 4.099 4.320 -0.004 0.000 0.208 190 K C 2.021 178.669 176.600 0.080 0.000 1.048 190 K CA 1.345 57.687 56.287 0.093 0.000 0.929 190 K CB -0.032 32.508 32.500 0.067 0.000 0.713 190 K HN -0.003 nan 8.250 nan 0.000 0.439 191 K N 0.474 120.911 120.400 0.062 0.000 2.057 191 K HA -0.089 4.228 4.320 -0.004 0.000 0.206 191 K C 2.027 178.658 176.600 0.051 0.000 1.050 191 K CA 1.105 57.419 56.287 0.047 0.000 0.935 191 K CB 0.071 32.595 32.500 0.041 0.000 0.715 191 K HN 0.003 nan 8.250 nan 0.000 0.439 192 V N 2.213 122.169 119.914 0.070 0.000 2.270 192 V HA -0.253 3.865 4.120 -0.004 0.000 0.245 192 V C 1.997 178.148 176.094 0.096 0.000 1.043 192 V CA 1.880 64.228 62.300 0.080 0.000 1.014 192 V CB -0.618 31.260 31.823 0.091 0.000 0.645 192 V HN 0.389 nan 8.190 nan 0.000 0.447 193 N N 0.016 118.798 118.700 0.135 0.000 2.104 193 N HA -0.220 4.518 4.740 -0.004 0.000 0.190 193 N C 1.895 177.543 175.510 0.231 0.000 1.024 193 N CA 1.657 54.841 53.050 0.223 0.000 0.853 193 N CB -0.456 38.227 38.487 0.326 0.000 1.008 193 N HN 0.648 nan 8.380 nan 0.000 0.424 194 Q N 0.783 120.665 119.800 0.136 0.000 2.096 194 Q HA -0.107 4.230 4.340 -0.004 0.000 0.204 194 Q C 1.605 177.599 176.000 -0.010 0.000 0.982 194 Q CA 1.399 57.229 55.803 0.044 0.000 0.850 194 Q CB 0.127 28.869 28.738 0.007 0.000 0.901 194 Q HN 0.138 nan 8.270 nan 0.000 0.422 195 V N 0.917 120.802 119.914 -0.048 0.000 2.591 195 V HA -0.191 3.926 4.120 -0.004 0.000 0.249 195 V C 2.349 178.278 176.094 -0.275 0.000 1.053 195 V CA 0.922 63.098 62.300 -0.207 0.000 1.068 195 V CB -0.345 31.342 31.823 -0.226 0.000 0.689 195 V HN 0.371 nan 8.190 nan 0.000 0.462 196 L N -0.041 121.160 121.223 -0.036 0.000 2.046 196 L HA -0.237 4.101 4.340 -0.004 0.000 0.208 196 L C 2.588 179.564 176.870 0.178 0.000 1.077 196 L CA 1.928 56.843 54.840 0.124 0.000 0.747 196 L CB -0.535 41.635 42.059 0.185 0.000 0.896 196 L HN 0.312 nan 8.230 nan 0.000 0.432 197 K N 0.280 120.783 120.400 0.171 0.000 2.063 197 K HA -0.222 4.095 4.320 -0.004 0.000 0.208 197 K C 1.922 178.605 176.600 0.138 0.000 1.048 197 K CA 1.601 58.008 56.287 0.200 0.000 0.928 197 K CB 0.052 32.648 32.500 0.160 0.000 0.713 197 K HN 0.340 nan 8.250 nan 0.000 0.442 198 E N -0.429 119.799 120.200 0.047 0.000 2.077 198 E HA -0.171 4.176 4.350 -0.004 0.000 0.193 198 E C 1.937 178.660 176.600 0.205 0.000 0.989 198 E CA 1.299 57.725 56.400 0.043 0.000 0.800 198 E CB -0.161 29.490 29.700 -0.081 0.000 0.746 198 E HN 0.363 nan 8.360 nan 0.000 0.452 199 F N 0.847 120.901 119.950 0.173 0.000 2.134 199 F HA -0.185 4.340 4.527 -0.004 0.000 0.299 199 F C 2.572 178.534 175.800 0.270 0.000 1.097 199 F CA 0.281 58.430 58.000 0.249 0.000 1.264 199 F CB -0.089 39.035 39.000 0.207 0.000 1.001 199 F HN 0.080 nan 8.300 nan 0.000 0.479 200 A N 0.320 123.386 122.820 0.411 0.000 2.019 200 A HA -0.165 4.153 4.320 -0.004 0.000 0.219 200 A C 2.078 179.809 177.584 0.246 0.000 1.164 200 A CA 1.311 53.531 52.037 0.306 0.000 0.644 200 A CB -0.479 18.680 19.000 0.266 0.000 0.805 200 A HN 0.339 nan 8.150 nan 0.000 0.449 201 R N -1.089 119.540 120.500 0.215 0.000 2.189 201 R HA 0.085 4.422 4.340 -0.004 0.000 0.203 201 R C 2.140 178.507 176.300 0.111 0.000 1.012 201 R CA 0.931 57.117 56.100 0.143 0.000 1.015 201 R CB -0.099 30.265 30.300 0.105 0.000 0.938 201 R HN 0.512 nan 8.270 nan 0.000 0.472 202 K N 0.201 120.684 120.400 0.138 0.000 2.116 202 K HA -0.073 4.245 4.320 -0.004 0.000 0.203 202 K C 0.770 177.276 176.600 -0.157 0.000 1.052 202 K CA 1.181 57.462 56.287 -0.010 0.000 0.952 202 K CB 0.220 32.722 32.500 0.003 0.000 0.729 202 K HN 0.134 nan 8.250 nan 0.000 0.446 203 Y N -0.092 120.259 120.300 0.085 0.000 2.458 203 Y HA 0.243 4.790 4.550 -0.004 0.000 0.256 203 Y C 0.744 176.670 175.900 0.044 0.000 1.159 203 Y CA 0.287 58.412 58.100 0.043 0.000 1.261 203 Y CB 1.073 39.541 38.460 0.014 0.000 1.119 203 Y HN 0.239 nan 8.280 nan 0.000 0.524 204 G N 1.123 110.023 108.800 0.167 0.000 2.370 204 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.295 204 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.295 204 G C 0.221 175.198 174.900 0.127 0.000 1.045 204 G CA 0.235 45.410 45.100 0.124 0.000 1.199 204 G HN 0.319 nan 8.290 nan 0.000 0.513 205 L N 0.305 121.622 121.223 0.157 0.000 2.470 205 L HA 0.531 4.869 4.340 -0.004 0.000 0.219 205 L C 1.784 178.724 176.870 0.117 0.000 1.071 205 L CA 1.617 56.530 54.840 0.122 0.000 0.850 205 L CB -0.251 41.915 42.059 0.178 0.000 1.040 205 L HN 1.813 nan 8.230 nan 0.000 0.475 206 G N 0.874 109.785 108.800 0.186 0.000 3.396 206 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.682 206 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.682 206 G C -0.341 174.746 174.900 0.311 0.000 0.924 206 G CA -0.288 44.966 45.100 0.256 0.000 0.770 206 G HN 0.043 nan 8.290 nan 0.000 0.484 207 M N 1.160 120.896 119.600 0.227 0.000 2.277 207 M HA 0.597 5.075 4.480 -0.004 0.000 0.350 207 M C 0.386 176.729 176.300 0.072 0.000 1.180 207 M CA -0.658 54.738 55.300 0.160 0.000 1.103 207 M CB 1.941 34.632 32.600 0.151 0.000 1.577 207 M HN 0.360 nan 8.290 nan 0.000 0.459 208 V N 2.343 122.247 119.914 -0.018 0.000 2.531 208 V HA 0.665 4.782 4.120 -0.004 0.000 0.301 208 V C -0.261 175.748 176.094 -0.141 0.000 1.034 208 V CA -1.096 61.125 62.300 -0.132 0.000 0.865 208 V CB 1.612 33.273 31.823 -0.271 0.000 0.995 208 V HN 0.945 nan 8.190 nan 0.000 0.424 209 A N 3.903 126.630 122.820 -0.155 0.000 2.363 209 A HA 0.824 5.141 4.320 -0.004 0.000 0.270 209 A C 0.402 177.953 177.584 -0.055 0.000 1.121 209 A CA 0.155 52.086 52.037 -0.176 0.000 0.800 209 A CB 0.498 19.299 19.000 -0.331 0.000 1.052 209 A HN 1.084 nan 8.150 nan 0.000 0.493 210 T N -0.985 113.534 114.554 -0.057 0.000 2.812 210 T HA 0.572 4.920 4.350 -0.004 0.000 0.294 210 T C -0.312 174.377 174.700 -0.019 0.000 1.159 210 T CA -0.388 61.740 62.100 0.047 0.000 1.008 210 T CB 1.634 70.538 68.868 0.060 0.000 1.289 210 T HN 0.781 nan 8.240 nan 0.000 0.514 211 N N 0.029 118.773 118.700 0.073 0.000 2.390 211 N HA 0.092 4.830 4.740 -0.004 0.000 0.259 211 N C -0.435 175.166 175.510 0.153 0.000 1.395 211 N CA 0.061 53.105 53.050 -0.010 0.000 0.852 211 N CB 0.207 38.586 38.487 -0.182 0.000 1.371 211 N HN 0.792 nan 8.380 nan 0.000 0.491 212 D N 0.395 120.828 120.400 0.055 0.000 2.812 212 D HA -0.115 4.522 4.640 -0.004 0.000 0.237 212 D C 0.292 176.764 176.300 0.286 0.000 1.162 212 D CA 1.240 55.227 54.000 -0.023 0.000 0.740 212 D CB -1.251 39.556 40.800 0.010 0.000 1.000 212 D HN 0.598 nan 8.370 nan 0.000 0.416 213 G N 0.038 108.925 108.800 0.145 0.000 2.544 213 G HA2 0.314 4.271 3.960 -0.004 0.000 0.242 213 G HA3 0.314 4.271 3.960 -0.004 0.000 0.242 213 G C 0.556 175.450 174.900 -0.010 0.000 1.247 213 G CA -0.219 44.907 45.100 0.044 0.000 0.840 213 G HN 0.552 nan 8.290 nan 0.000 0.578 214 H N -0.720 118.249 119.070 -0.169 0.000 3.771 214 H HA 0.206 4.760 4.556 -0.004 0.000 0.260 214 H C -0.603 174.707 175.328 -0.031 0.000 1.158 214 H CA 0.104 56.094 56.048 -0.097 0.000 1.170 214 H CB 0.689 30.315 29.762 -0.227 0.000 1.539 214 H HN 0.638 nan 8.280 nan 0.000 0.634 215 Y N -3.137 117.186 120.300 0.038 0.000 2.638 215 Y HA 0.524 5.071 4.550 -0.004 0.000 0.339 215 Y C 0.601 176.526 175.900 0.042 0.000 1.084 215 Y CA -1.343 56.763 58.100 0.010 0.000 1.068 215 Y CB 0.320 38.748 38.460 -0.052 0.000 1.294 215 Y HN -0.267 nan 8.280 nan 0.000 0.480 216 V N 0.312 120.314 119.914 0.147 0.000 2.278 216 V HA 0.100 4.218 4.120 -0.004 0.000 0.238 216 V C 0.973 177.017 176.094 -0.082 0.000 1.039 216 V CA 0.915 63.224 62.300 0.014 0.000 1.017 216 V CB -0.409 31.384 31.823 -0.050 0.000 0.657 216 V HN 0.700 nan 8.190 nan 0.000 0.462 217 R N -0.221 120.162 120.500 -0.195 0.000 2.782 217 R HA 0.334 4.671 4.340 -0.004 0.000 0.258 217 R C 1.162 177.304 176.300 -0.263 0.000 1.055 217 R CA -0.671 55.233 56.100 -0.327 0.000 1.065 217 R CB 0.987 30.931 30.300 -0.593 0.000 1.172 217 R HN 0.073 nan 8.270 nan 0.000 0.510 218 K N 1.096 121.080 120.400 -0.693 0.000 2.209 218 K HA -0.178 4.139 4.320 -0.004 0.000 0.204 218 K C 0.832 177.201 176.600 -0.384 0.000 1.048 218 K CA 1.674 57.397 56.287 -0.940 0.000 0.940 218 K CB 0.250 32.087 32.500 -1.105 0.000 0.729 218 K HN 0.414 nan 8.250 nan 0.000 0.451 219 E N 0.697 120.722 120.200 -0.292 0.000 2.268 219 E HA -0.130 4.218 4.350 -0.004 0.000 0.195 219 E C 0.889 177.368 176.600 -0.203 0.000 0.995 219 E CA 1.058 57.334 56.400 -0.207 0.000 0.836 219 E CB 0.083 29.678 29.700 -0.175 0.000 0.763 219 E HN 0.328 nan 8.360 nan 0.000 0.491 220 D N 0.145 120.418 120.400 -0.213 0.000 2.363 220 D HA 0.030 4.668 4.640 -0.004 0.000 0.226 220 D C 1.582 177.566 176.300 -0.526 0.000 1.020 220 D CA 0.681 54.536 54.000 -0.241 0.000 0.892 220 D CB -0.102 40.644 40.800 -0.089 0.000 0.900 220 D HN 0.183 nan 8.370 nan 0.000 0.531 221 A N 1.272 123.706 122.820 -0.642 0.000 1.873 221 A HA -0.246 4.071 4.320 -0.004 0.000 0.218 221 A C 2.212 179.532 177.584 -0.439 0.000 1.193 221 A CA 1.275 52.829 52.037 -0.805 0.000 0.629 221 A CB -0.389 18.402 19.000 -0.349 0.000 0.826 221 A HN 0.096 nan 8.150 nan 0.000 0.447 222 R N -0.989 119.358 120.500 -0.255 0.000 2.092 222 R HA -0.063 4.274 4.340 -0.004 0.000 0.231 222 R C 2.517 178.726 176.300 -0.152 0.000 1.119 222 R CA 1.124 57.128 56.100 -0.160 0.000 0.970 222 R CB -0.467 29.788 30.300 -0.075 0.000 0.864 222 R HN 0.540 nan 8.270 nan 0.000 0.440 223 A N 0.657 123.388 122.820 -0.149 0.000 1.908 223 A HA -0.241 4.077 4.320 -0.004 0.000 0.218 223 A C 2.050 179.545 177.584 -0.149 0.000 1.181 223 A CA 1.655 53.627 52.037 -0.110 0.000 0.627 223 A CB -0.907 18.036 19.000 -0.095 0.000 0.818 223 A HN 0.455 nan 8.150 nan 0.000 0.445 224 H N -0.594 118.275 119.070 -0.334 0.000 2.357 224 H HA -0.083 4.471 4.556 -0.004 0.000 0.301 224 H C 1.996 177.079 175.328 -0.410 0.000 1.082 224 H CA 1.740 57.561 56.048 -0.379 0.000 1.342 224 H CB -0.110 29.329 29.762 -0.539 0.000 1.389 224 H HN 0.676 nan 8.280 nan 0.000 0.511 225 E N 0.576 120.537 120.200 -0.398 0.000 2.153 225 E HA -0.117 4.230 4.350 -0.004 0.000 0.194 225 E C 2.349 178.735 176.600 -0.356 0.000 0.988 225 E CA 1.245 57.406 56.400 -0.399 0.000 0.811 225 E CB 0.140 29.700 29.700 -0.234 0.000 0.746 225 E HN 0.440 nan 8.360 nan 0.000 0.466 226 V N -0.777 118.971 119.914 -0.277 0.000 2.788 226 V HA -0.099 4.019 4.120 -0.004 0.000 0.251 226 V C 2.168 178.136 176.094 -0.210 0.000 1.068 226 V CA 0.873 63.038 62.300 -0.225 0.000 1.090 226 V CB -0.307 31.426 31.823 -0.151 0.000 0.710 226 V HN 0.199 nan 8.190 nan 0.000 0.467 227 L N 0.581 121.643 121.223 -0.269 0.000 2.012 227 L HA -0.092 4.246 4.340 -0.004 0.000 0.210 227 L C 2.356 179.061 176.870 -0.275 0.000 1.073 227 L CA 2.238 56.929 54.840 -0.248 0.000 0.748 227 L CB -0.705 41.181 42.059 -0.287 0.000 0.891 227 L HN 0.333 nan 8.230 nan 0.000 0.431 228 L N -0.488 120.442 121.223 -0.488 0.000 2.127 228 L HA -0.193 4.144 4.340 -0.004 0.000 0.211 228 L C 2.540 179.349 176.870 -0.102 0.000 1.089 228 L CA 1.163 55.726 54.840 -0.462 0.000 0.757 228 L CB -1.024 40.496 42.059 -0.898 0.000 0.899 228 L HN 0.429 nan 8.230 nan 0.000 0.434 229 A N -0.344 122.395 122.820 -0.136 0.000 2.167 229 A HA -0.008 4.309 4.320 -0.004 0.000 0.214 229 A C 2.142 179.716 177.584 -0.017 0.000 1.151 229 A CA 0.820 52.823 52.037 -0.055 0.000 0.735 229 A CB -0.387 18.544 19.000 -0.115 0.000 0.802 229 A HN 0.379 nan 8.150 nan 0.000 0.467 230 I N -1.448 119.109 120.570 -0.022 0.000 2.584 230 I HA -0.145 4.022 4.170 -0.004 0.000 0.255 230 I C 2.529 178.681 176.117 0.059 0.000 1.145 230 I CA 0.780 62.087 61.300 0.012 0.000 1.462 230 I CB -0.030 37.969 38.000 -0.001 0.000 1.102 230 I HN 0.231 nan 8.210 nan 0.000 0.433 231 Q N -0.032 119.828 119.800 0.100 0.000 2.062 231 Q HA -0.087 4.250 4.340 -0.004 0.000 0.196 231 Q C 2.390 178.490 176.000 0.167 0.000 0.967 231 Q CA 1.403 57.310 55.803 0.174 0.000 0.832 231 Q CB -0.282 28.636 28.738 0.300 0.000 0.899 231 Q HN 0.211 nan 8.270 nan 0.000 0.442 232 S N -0.056 115.770 115.700 0.210 0.000 2.474 232 S HA -0.083 4.385 4.470 -0.004 0.000 0.235 232 S C -0.066 174.576 174.600 0.071 0.000 0.997 232 S CA 0.382 58.673 58.200 0.151 0.000 0.949 232 S CB -0.140 63.193 63.200 0.221 0.000 0.766 232 S HN 0.335 nan 8.310 nan 0.000 0.517 233 K N 1.703 122.138 120.400 0.059 0.000 3.419 233 K HA -0.137 4.180 4.320 -0.004 0.000 0.272 233 K C -0.296 176.315 176.600 0.019 0.000 0.973 233 K CA 0.848 57.154 56.287 0.033 0.000 0.749 233 K CB -2.195 30.322 32.500 0.029 0.000 1.403 233 K HN 0.639 nan 8.250 nan 0.000 0.456 234 T N -3.752 110.809 114.554 0.011 0.000 2.838 234 T HA 0.480 4.827 4.350 -0.004 0.000 0.292 234 T C 0.272 174.957 174.700 -0.025 0.000 1.113 234 T CA -0.998 61.100 62.100 -0.002 0.000 1.008 234 T CB 1.714 70.585 68.868 0.006 0.000 1.259 234 T HN 0.013 nan 8.240 nan 0.000 0.520 235 T N 1.502 116.038 114.554 -0.031 0.000 2.828 235 T HA 0.259 4.606 4.350 -0.004 0.000 0.290 235 T C 1.469 176.112 174.700 -0.096 0.000 1.019 235 T CA -0.653 61.414 62.100 -0.055 0.000 1.031 235 T CB 0.647 69.494 68.868 -0.035 0.000 1.001 235 T HN 0.611 nan 8.240 nan 0.000 0.531 236 L N 0.836 121.963 121.223 -0.161 0.000 2.127 236 L HA -0.039 4.298 4.340 -0.004 0.000 0.211 236 L C 0.613 177.408 176.870 -0.125 0.000 1.089 236 L CA 1.640 56.348 54.840 -0.220 0.000 0.757 236 L CB -0.408 41.430 42.059 -0.368 0.000 0.899 236 L HN 0.751 nan 8.230 nan 0.000 0.434 237 D N -1.913 118.439 120.400 -0.080 0.000 2.414 237 D HA 0.158 4.796 4.640 -0.004 0.000 0.232 237 D C -0.067 176.215 176.300 -0.029 0.000 1.070 237 D CA -0.393 53.581 54.000 -0.044 0.000 0.839 237 D CB 1.567 42.349 40.800 -0.029 0.000 1.079 237 D HN 0.079 nan 8.370 nan 0.000 0.521 238 D N 1.717 122.104 120.400 -0.021 0.000 2.845 238 D HA 0.155 4.793 4.640 -0.004 0.000 0.272 238 D C -1.188 175.109 176.300 -0.005 0.000 1.275 238 D CA 0.517 54.511 54.000 -0.011 0.000 1.029 238 D CB -0.312 40.485 40.800 -0.004 0.000 1.131 238 D HN 0.427 nan 8.370 nan 0.000 0.423 239 P HA 0.338 nan 4.420 nan 0.000 0.328 239 P C -0.356 176.950 177.300 0.010 0.000 1.305 239 P CA -0.109 62.993 63.100 0.004 0.000 0.745 239 P CB 0.916 32.620 31.700 0.006 0.000 1.462 240 E N -2.738 117.474 120.200 0.020 0.000 4.223 240 E HA -0.159 4.189 4.350 -0.004 0.000 0.379 240 E C 0.152 176.778 176.600 0.044 0.000 0.610 240 E CA 0.508 56.922 56.400 0.024 0.000 1.397 240 E CB -1.026 28.678 29.700 0.007 0.000 1.803 240 E HN 0.643 nan 8.360 nan 0.000 0.385 241 R N 0.410 120.939 120.500 0.047 0.000 2.640 241 R HA 0.048 4.385 4.340 -0.004 0.000 0.270 241 R C -0.079 176.318 176.300 0.161 0.000 1.024 241 R CA 0.173 56.320 56.100 0.078 0.000 1.085 241 R CB 0.243 30.562 30.300 0.033 0.000 0.963 241 R HN 0.141 nan 8.270 nan 0.000 0.426 242 W N 3.907 125.187 121.300 -0.033 0.000 2.397 242 W HA 0.106 4.764 4.660 -0.004 0.000 0.327 242 W C -0.591 175.924 176.519 -0.006 0.000 1.421 242 W CA -0.484 56.852 57.345 -0.015 0.000 1.288 242 W CB 0.178 29.626 29.460 -0.020 0.000 1.312 242 W HN 0.669 nan 8.180 nan 0.000 0.559 243 R N 4.752 125.380 120.500 0.212 0.000 2.771 243 R HA 0.445 4.782 4.340 -0.004 0.000 0.274 243 R C -0.979 175.443 176.300 0.203 0.000 0.987 243 R CA -1.129 55.006 56.100 0.058 0.000 0.908 243 R CB 1.590 31.934 30.300 0.073 0.000 1.213 243 R HN 0.117 nan 8.270 nan 0.000 0.468 244 F N 2.297 122.158 119.950 -0.149 0.000 2.378 244 F HA 0.285 4.810 4.527 -0.005 0.000 0.319 244 F C -0.778 175.032 175.800 0.017 0.000 1.155 244 F CA -2.026 55.899 58.000 -0.124 0.000 1.157 244 F CB 0.408 39.285 39.000 -0.204 0.000 1.252 244 F HN 0.443 nan 8.300 nan 0.000 0.550 245 P HA 0.003 nan 4.420 nan 0.000 0.223 245 P C -0.069 177.358 177.300 0.213 0.000 1.151 245 P CA 0.951 64.146 63.100 0.158 0.000 0.787 245 P CB 0.094 31.864 31.700 0.118 0.000 0.788 246 C N -2.993 116.512 119.300 0.343 0.000 3.276 246 C HA 0.517 4.975 4.460 -0.004 0.000 0.370 246 C C -0.936 174.281 174.990 0.379 0.000 1.624 246 C CA -0.759 58.424 59.018 0.275 0.000 1.179 246 C CB 0.959 28.805 27.740 0.178 0.000 1.909 246 C HN -0.121 nan 8.230 nan 0.000 0.434 247 D N 0.820 121.388 120.400 0.281 0.000 3.035 247 D HA 0.269 4.907 4.640 -0.004 0.000 0.290 247 D C 0.592 177.141 176.300 0.416 0.000 1.360 247 D CA 0.038 54.242 54.000 0.340 0.000 0.862 247 D CB 0.187 41.091 40.800 0.173 0.000 1.078 247 D HN 0.519 nan 8.370 nan 0.000 0.487 248 E N -0.440 119.930 120.200 0.283 0.000 2.511 248 E HA 0.076 4.424 4.350 -0.004 0.000 0.209 248 E C 0.245 176.776 176.600 -0.115 0.000 0.986 248 E CA -0.165 56.305 56.400 0.115 0.000 0.974 248 E CB 0.263 29.910 29.700 -0.087 0.000 1.030 248 E HN 0.244 nan 8.360 nan 0.000 0.490 249 F N 2.279 122.249 119.950 0.035 0.000 2.666 249 F HA 0.145 4.669 4.527 -0.004 0.000 0.362 249 F C 0.293 175.611 175.800 -0.803 0.000 1.190 249 F CA -0.592 57.222 58.000 -0.310 0.000 1.328 249 F CB -0.823 38.055 39.000 -0.204 0.000 1.682 249 F HN -0.071 nan 8.300 nan 0.000 0.623 250 Y N -3.127 116.939 120.300 -0.391 0.000 2.638 250 Y HA 0.725 5.273 4.550 -0.004 0.000 0.339 250 Y C -0.808 175.025 175.900 -0.112 0.000 1.084 250 Y CA -2.189 55.724 58.100 -0.312 0.000 1.068 250 Y CB 0.624 39.030 38.460 -0.090 0.000 1.294 250 Y HN -0.230 nan 8.280 nan 0.000 0.480 251 V N 3.246 123.178 119.914 0.030 0.000 2.364 251 V HA 0.130 4.248 4.120 -0.004 0.000 0.252 251 V C -0.004 176.221 176.094 0.219 0.000 1.075 251 V CA -0.441 61.799 62.300 -0.100 0.000 1.033 251 V CB -1.118 30.765 31.823 0.100 0.000 1.116 251 V HN 0.628 nan 8.190 nan 0.000 0.488 252 K N 2.702 123.155 120.400 0.088 0.000 2.118 252 K HA 0.400 4.717 4.320 -0.004 0.000 0.264 252 K C 0.499 177.246 176.600 0.246 0.000 1.000 252 K CA -0.504 55.850 56.287 0.113 0.000 0.929 252 K CB 0.898 33.293 32.500 -0.175 0.000 1.021 252 K HN 0.598 nan 8.250 nan 0.000 0.463 253 T N 2.871 117.536 114.554 0.186 0.000 2.930 253 T HA 0.021 4.369 4.350 -0.004 0.000 0.306 253 T C -1.809 172.908 174.700 0.029 0.000 1.045 253 T CA -1.369 60.795 62.100 0.106 0.000 1.134 253 T CB 0.526 69.454 68.868 0.099 0.000 0.961 253 T HN 0.341 nan 8.240 nan 0.000 0.545 254 P HA -0.169 nan 4.420 nan 0.000 0.218 254 P C 1.190 178.525 177.300 0.058 0.000 1.147 254 P CA 1.104 64.228 63.100 0.039 0.000 0.827 254 P CB 0.173 31.955 31.700 0.136 0.000 0.778 255 E N -0.419 119.804 120.200 0.038 0.000 2.046 255 E HA -0.149 4.199 4.350 -0.004 0.000 0.190 255 E C 1.933 178.545 176.600 0.019 0.000 0.982 255 E CA 1.135 57.552 56.400 0.029 0.000 0.800 255 E CB -0.795 28.925 29.700 0.034 0.000 0.756 255 E HN 0.417 nan 8.360 nan 0.000 0.449 256 E N -0.128 120.083 120.200 0.018 0.000 2.204 256 E HA -0.137 4.211 4.350 -0.004 0.000 0.195 256 E C 1.876 178.434 176.600 -0.071 0.000 0.990 256 E CA 0.713 57.115 56.400 0.004 0.000 0.821 256 E CB -0.065 29.661 29.700 0.043 0.000 0.750 256 E HN 0.207 nan 8.360 nan 0.000 0.477 257 M N 0.311 119.827 119.600 -0.140 0.000 2.117 257 M HA -0.106 4.372 4.480 -0.004 0.000 0.262 257 M C 2.111 178.415 176.300 0.008 0.000 1.065 257 M CA 1.238 56.387 55.300 -0.253 0.000 1.114 257 M CB -0.540 31.649 32.600 -0.685 0.000 1.361 257 M HN 0.004 nan 8.290 nan 0.000 0.408 258 R N 0.032 120.598 120.500 0.111 0.000 2.120 258 R HA -0.016 4.321 4.340 -0.004 0.000 0.234 258 R C 2.089 178.407 176.300 0.029 0.000 1.123 258 R CA 1.392 57.526 56.100 0.057 0.000 0.975 258 R CB -0.858 29.402 30.300 -0.067 0.000 0.866 258 R HN 0.416 nan 8.270 nan 0.000 0.446 259 A N 0.386 123.214 122.820 0.013 0.000 2.019 259 A HA -0.114 4.203 4.320 -0.004 0.000 0.219 259 A C 2.009 179.605 177.584 0.020 0.000 1.164 259 A CA 1.197 53.244 52.037 0.016 0.000 0.644 259 A CB -0.165 18.845 19.000 0.017 0.000 0.805 259 A HN 0.095 nan 8.150 nan 0.000 0.449 260 M N -1.185 118.409 119.600 -0.010 0.000 2.394 260 M HA 0.271 4.748 4.480 -0.004 0.000 0.266 260 M C 0.154 176.476 176.300 0.036 0.000 1.098 260 M CA 0.913 56.195 55.300 -0.030 0.000 1.149 260 M CB -0.740 31.772 32.600 -0.147 0.000 1.369 260 M HN 0.214 nan 8.290 nan 0.000 0.450 261 L N 1.261 122.522 121.223 0.063 0.000 2.457 261 L HA 0.365 4.702 4.340 -0.004 0.000 0.252 261 L C -2.373 174.695 176.870 0.329 0.000 1.132 261 L CA -1.722 53.229 54.840 0.185 0.000 0.938 261 L CB 0.789 42.770 42.059 -0.131 0.000 1.246 261 L HN -0.129 nan 8.230 nan 0.000 0.476 262 P HA -0.026 nan 4.420 nan 0.000 0.268 262 P C 0.654 178.022 177.300 0.113 0.000 1.208 262 P CA 0.019 63.202 63.100 0.139 0.000 0.777 262 P CB 1.032 32.781 31.700 0.083 0.000 0.875 263 E N 2.186 122.387 120.200 0.002 0.000 2.072 263 E HA -0.149 4.199 4.350 -0.004 0.000 0.191 263 E C 1.335 177.922 176.600 -0.022 0.000 0.985 263 E CA 0.899 57.279 56.400 -0.033 0.000 0.801 263 E CB -0.343 29.310 29.700 -0.078 0.000 0.750 263 E HN 0.473 nan 8.360 nan 0.000 0.452 264 A N 0.496 123.294 122.820 -0.036 0.000 2.265 264 A HA -0.051 4.266 4.320 -0.004 0.000 0.213 264 A C 1.536 179.059 177.584 -0.101 0.000 1.255 264 A CA 0.600 52.604 52.037 -0.056 0.000 0.862 264 A CB -0.067 18.903 19.000 -0.049 0.000 0.852 264 A HN 0.299 nan 8.150 nan 0.000 0.484 265 E N -2.635 117.482 120.200 -0.139 0.000 2.614 265 E HA 0.014 4.361 4.350 -0.004 0.000 0.201 265 E C 0.717 177.026 176.600 -0.485 0.000 0.889 265 E CA 0.154 56.349 56.400 -0.342 0.000 1.564 265 E CB 0.201 29.647 29.700 -0.424 0.000 1.623 265 E HN 0.711 nan 8.360 nan 0.000 0.898 266 W N 0.953 122.250 121.300 -0.006 0.000 2.871 266 W HA 0.346 5.004 4.660 -0.004 0.000 0.267 266 W C 1.186 177.713 176.519 0.013 0.000 1.180 266 W CA 0.540 57.898 57.345 0.020 0.000 1.463 266 W CB 0.739 30.230 29.460 0.052 0.000 0.966 266 W HN 0.266 nan 8.180 nan 0.000 0.605 267 G N 1.379 110.277 108.800 0.164 0.000 2.642 267 G HA2 -0.294 3.663 3.960 -0.004 0.000 0.231 267 G HA3 -0.294 3.663 3.960 -0.004 0.000 0.231 267 G C 0.164 175.092 174.900 0.045 0.000 1.338 267 G CA 0.257 45.403 45.100 0.076 0.000 0.883 267 G HN 0.134 nan 8.290 nan 0.000 0.570 268 D N 0.290 120.712 120.400 0.036 0.000 2.346 268 D HA 0.073 4.710 4.640 -0.004 0.000 0.206 268 D C 2.192 178.576 176.300 0.141 0.000 1.001 268 D CA 0.935 54.950 54.000 0.025 0.000 0.871 268 D CB 0.142 40.947 40.800 0.008 0.000 0.943 268 D HN 0.670 nan 8.370 nan 0.000 0.518 269 E N 1.074 121.365 120.200 0.152 0.000 2.049 269 E HA -0.177 4.171 4.350 -0.004 0.000 0.198 269 E C -0.768 175.944 176.600 0.186 0.000 1.007 269 E CA 1.194 57.689 56.400 0.159 0.000 0.809 269 E CB -0.884 28.909 29.700 0.154 0.000 0.749 269 E HN 0.241 nan 8.360 nan 0.000 0.450 270 P HA -0.152 nan 4.420 nan 0.000 0.219 270 P C 0.712 178.125 177.300 0.188 0.000 1.146 270 P CA 1.188 64.394 63.100 0.176 0.000 0.808 270 P CB 0.015 31.808 31.700 0.154 0.000 0.779 271 F N -0.487 119.492 119.950 0.048 0.000 2.220 271 F HA -0.014 4.510 4.527 -0.004 0.000 0.290 271 F C 2.050 177.871 175.800 0.036 0.000 1.080 271 F CA 1.041 59.104 58.000 0.105 0.000 1.318 271 F CB -1.162 37.892 39.000 0.089 0.000 1.063 271 F HN -0.155 nan 8.300 nan 0.000 0.498 272 D N 0.143 120.673 120.400 0.216 0.000 2.144 272 D HA -0.167 4.471 4.640 -0.004 0.000 0.199 272 D C 1.682 177.991 176.300 0.015 0.000 0.984 272 D CA 1.248 55.305 54.000 0.095 0.000 0.834 272 D CB -0.628 40.222 40.800 0.084 0.000 0.955 272 D HN 0.332 nan 8.370 nan 0.000 0.465 273 N N -0.509 118.190 118.700 -0.002 0.000 2.309 273 N HA -0.088 4.649 4.740 -0.004 0.000 0.182 273 N C 1.683 177.066 175.510 -0.212 0.000 1.018 273 N CA 1.000 53.993 53.050 -0.095 0.000 0.876 273 N CB 0.081 38.514 38.487 -0.090 0.000 0.972 273 N HN 0.001 nan 8.380 nan 0.000 0.434 274 T N -0.033 114.392 114.554 -0.216 0.000 2.652 274 T HA -0.097 4.250 4.350 -0.004 0.000 0.267 274 T C 1.934 176.455 174.700 -0.299 0.000 1.039 274 T CA 1.007 62.897 62.100 -0.351 0.000 1.153 274 T CB -0.172 68.375 68.868 -0.534 0.000 0.863 274 T HN -0.007 nan 8.240 nan 0.000 0.428 275 V N 1.223 121.017 119.914 -0.201 0.000 2.548 275 V HA -0.044 4.074 4.120 -0.004 0.000 0.249 275 V C 2.615 178.641 176.094 -0.115 0.000 1.055 275 V CA 1.238 63.450 62.300 -0.147 0.000 1.065 275 V CB -0.446 31.328 31.823 -0.080 0.000 0.681 275 V HN 0.347 nan 8.190 nan 0.000 0.462 276 E N 0.375 120.512 120.200 -0.106 0.000 2.046 276 E HA -0.104 4.243 4.350 -0.004 0.000 0.190 276 E C 2.184 178.725 176.600 -0.097 0.000 0.982 276 E CA 1.186 57.541 56.400 -0.075 0.000 0.800 276 E CB -0.173 29.499 29.700 -0.046 0.000 0.756 276 E HN 0.556 nan 8.360 nan 0.000 0.449 277 I N 0.885 121.352 120.570 -0.172 0.000 2.127 277 I HA -0.320 3.848 4.170 -0.004 0.000 0.241 277 I C 2.477 178.516 176.117 -0.129 0.000 1.075 277 I CA 1.310 62.495 61.300 -0.191 0.000 1.334 277 I CB -0.408 37.385 38.000 -0.345 0.000 1.040 277 I HN 0.035 nan 8.210 nan 0.000 0.405 278 A N 0.576 123.307 122.820 -0.147 0.000 1.948 278 A HA -0.291 4.027 4.320 -0.004 0.000 0.220 278 A C 2.436 179.981 177.584 -0.066 0.000 1.177 278 A CA 2.073 54.045 52.037 -0.109 0.000 0.636 278 A CB -0.761 18.158 19.000 -0.134 0.000 0.815 278 A HN 0.422 nan 8.150 nan 0.000 0.449 279 R N -0.978 119.485 120.500 -0.062 0.000 2.066 279 R HA -0.048 4.290 4.340 -0.004 0.000 0.232 279 R C 1.243 177.533 176.300 -0.017 0.000 1.131 279 R CA 1.608 57.687 56.100 -0.036 0.000 0.955 279 R CB -0.234 30.047 30.300 -0.031 0.000 0.851 279 R HN 0.419 nan 8.270 nan 0.000 0.432 280 M N 0.402 119.993 119.600 -0.015 0.000 2.639 280 M HA 0.043 4.521 4.480 -0.004 0.000 0.220 280 M C -0.094 176.216 176.300 0.018 0.000 1.155 280 M CA 0.222 55.527 55.300 0.009 0.000 1.003 280 M CB -0.251 32.361 32.600 0.021 0.000 1.725 280 M HN 0.133 nan 8.290 nan 0.000 0.489 281 C N 1.706 121.012 119.300 0.009 0.000 2.503 281 C HA 0.240 4.697 4.460 -0.004 0.000 0.356 281 C C 0.659 175.676 174.990 0.045 0.000 1.168 281 C CA -1.077 57.956 59.018 0.026 0.000 1.655 281 C CB -0.978 26.766 27.740 0.007 0.000 1.660 281 C HN 0.326 nan 8.230 nan 0.000 0.484 282 D N 2.051 122.485 120.400 0.055 0.000 2.483 282 D HA 0.239 4.876 4.640 -0.004 0.000 0.220 282 D C -0.428 175.930 176.300 0.095 0.000 1.173 282 D CA 0.355 54.393 54.000 0.064 0.000 0.964 282 D CB 0.604 41.434 40.800 0.051 0.000 1.046 282 D HN 0.258 nan 8.370 nan 0.000 0.517 283 V N 3.999 123.982 119.914 0.114 0.000 2.409 283 V HA 0.317 4.434 4.120 -0.004 0.000 0.291 283 V C -0.213 175.962 176.094 0.135 0.000 1.020 283 V CA -0.856 61.529 62.300 0.141 0.000 0.848 283 V CB 1.912 33.815 31.823 0.132 0.000 0.990 283 V HN 0.316 nan 8.190 nan 0.000 0.430 284 D N 4.664 125.106 120.400 0.070 0.000 2.391 284 D HA 0.543 5.180 4.640 -0.004 0.000 0.245 284 D C -0.460 175.675 176.300 -0.274 0.000 1.069 284 D CA -0.225 53.759 54.000 -0.027 0.000 0.831 284 D CB 2.500 43.287 40.800 -0.022 0.000 1.204 284 D HN 0.309 nan 8.370 nan 0.000 0.503 285 L N 2.740 123.589 121.223 -0.623 0.000 2.334 285 L HA 0.353 4.691 4.340 -0.004 0.000 0.277 285 L C -2.025 174.629 176.870 -0.359 0.000 1.075 285 L CA -1.872 52.606 54.840 -0.603 0.000 0.804 285 L CB 1.008 42.482 42.059 -0.975 0.000 1.174 285 L HN 0.044 nan 8.230 nan 0.000 0.438 286 P HA 0.267 nan 4.420 nan 0.000 0.263 286 P C -0.761 176.458 177.300 -0.136 0.000 1.601 286 P CA 0.501 63.492 63.100 -0.182 0.000 1.161 286 P CB -0.056 31.554 31.700 -0.150 0.000 1.730 287 I N 0.996 121.505 120.570 -0.103 0.000 2.647 287 I HA 0.449 4.616 4.170 -0.004 0.000 0.295 287 I C 1.230 177.322 176.117 -0.042 0.000 1.078 287 I CA -0.475 60.788 61.300 -0.061 0.000 1.048 287 I CB 2.204 40.199 38.000 -0.009 0.000 1.239 287 I HN 0.466 nan 8.210 nan 0.000 0.421 288 G N 4.786 113.554 108.800 -0.054 0.000 2.677 288 G HA2 -0.408 3.550 3.960 -0.004 0.000 0.321 288 G HA3 -0.408 3.550 3.960 -0.004 0.000 0.321 288 G C 0.597 175.465 174.900 -0.052 0.000 1.181 288 G CA 1.073 46.145 45.100 -0.046 0.000 0.965 288 G HN 0.665 nan 8.290 nan 0.000 0.548 289 D N 1.766 122.143 120.400 -0.038 0.000 2.126 289 D HA -0.065 4.572 4.640 -0.004 0.000 0.190 289 D C 2.270 178.539 176.300 -0.051 0.000 1.001 289 D CA 2.169 56.146 54.000 -0.038 0.000 0.841 289 D CB -0.061 40.721 40.800 -0.030 0.000 0.949 289 D HN 0.778 nan 8.370 nan 0.000 0.446 290 K N 0.456 120.819 120.400 -0.061 0.000 2.401 290 K HA 0.071 4.389 4.320 -0.004 0.000 0.176 290 K C 0.782 177.320 176.600 -0.104 0.000 1.109 290 K CA -0.280 55.958 56.287 -0.082 0.000 1.146 290 K CB -0.528 31.913 32.500 -0.098 0.000 1.600 290 K HN 0.206 nan 8.250 nan 0.000 0.474 291 M N 0.581 120.107 119.600 -0.123 0.000 4.046 291 M HA -0.156 4.321 4.480 -0.004 0.000 0.157 291 M C -1.756 174.436 176.300 -0.180 0.000 1.532 291 M CA -0.116 55.089 55.300 -0.159 0.000 1.097 291 M CB -0.424 32.060 32.600 -0.193 0.000 1.346 291 M HN 0.249 nan 8.290 nan 0.000 0.191 292 V N 7.086 126.912 119.914 -0.147 0.000 2.581 292 V HA 0.467 4.585 4.120 -0.004 0.000 0.303 292 V C -0.546 175.481 176.094 -0.112 0.000 1.041 292 V CA -0.538 61.703 62.300 -0.098 0.000 0.907 292 V CB 1.794 33.603 31.823 -0.023 0.000 0.994 292 V HN 0.662 nan 8.190 nan 0.000 0.442 293 Y N 3.141 123.456 120.300 0.025 0.000 2.496 293 Y HA 0.322 4.869 4.550 -0.004 0.000 0.334 293 Y C 0.923 176.856 175.900 0.055 0.000 1.080 293 Y CA -0.018 58.109 58.100 0.046 0.000 1.355 293 Y CB 0.327 38.824 38.460 0.062 0.000 1.193 293 Y HN 0.469 nan 8.280 nan 0.000 0.523 294 R N 4.064 124.691 120.500 0.212 0.000 2.522 294 R HA 0.329 4.667 4.340 -0.004 0.000 0.290 294 R C -1.118 175.286 176.300 0.173 0.000 1.216 294 R CA -0.184 56.010 56.100 0.157 0.000 1.250 294 R CB 0.085 30.452 30.300 0.112 0.000 1.143 294 R HN 0.480 nan 8.270 nan 0.000 0.553 295 I N 3.980 124.661 120.570 0.185 0.000 2.325 295 I HA 0.270 4.437 4.170 -0.004 0.000 0.291 295 I C -1.835 174.379 176.117 0.162 0.000 1.019 295 I CA -2.945 58.468 61.300 0.188 0.000 1.302 295 I CB 0.925 39.052 38.000 0.210 0.000 1.401 295 I HN 0.209 nan 8.210 nan 0.000 0.485 296 P HA 0.202 nan 4.420 nan 0.000 0.269 296 P C -0.139 177.286 177.300 0.208 0.000 1.215 296 P CA -0.315 62.867 63.100 0.137 0.000 0.780 296 P CB 0.606 32.330 31.700 0.040 0.000 0.898 297 R N 1.240 121.872 120.500 0.220 0.000 2.441 297 R HA 0.387 4.724 4.340 -0.004 0.000 0.284 297 R C -0.618 175.888 176.300 0.344 0.000 1.070 297 R CA -0.372 55.876 56.100 0.246 0.000 1.047 297 R CB 0.334 30.736 30.300 0.169 0.000 1.016 297 R HN 0.431 nan 8.270 nan 0.000 0.477 298 F N 5.192 125.265 119.950 0.205 0.000 2.402 298 F HA 0.373 4.898 4.527 -0.004 0.000 0.355 298 F C -1.744 174.151 175.800 0.159 0.000 1.123 298 F CA -2.438 55.700 58.000 0.230 0.000 1.021 298 F CB 1.113 40.267 39.000 0.257 0.000 1.160 298 F HN 0.377 nan 8.300 nan 0.000 0.451 299 P HA 0.273 nan 4.420 nan 0.000 0.268 299 P C -1.364 175.898 177.300 -0.064 0.000 1.205 299 P CA 0.082 63.099 63.100 -0.139 0.000 0.771 299 P CB 1.440 32.998 31.700 -0.236 0.000 0.858 304 R N 0.991 121.501 120.500 0.018 0.000 2.534 304 R HA 0.584 4.922 4.340 -0.004 0.000 0.301 304 R C -0.239 176.106 176.300 0.075 0.000 0.961 304 R CA -0.503 55.621 56.100 0.040 0.000 0.871 304 R CB 1.177 31.467 30.300 -0.017 0.000 1.170 304 R HN 0.199 nan 8.270 nan 0.000 0.446 305 T N 0.647 115.260 114.554 0.099 0.000 2.899 305 T HA 0.069 4.416 4.350 -0.004 0.000 0.295 305 T C 1.437 176.229 174.700 0.153 0.000 1.033 305 T CA -0.595 61.570 62.100 0.109 0.000 1.084 305 T CB 1.493 70.418 68.868 0.096 0.000 0.979 305 T HN 0.530 nan 8.240 nan 0.000 0.532 306 E N 0.874 121.165 120.200 0.152 0.000 2.110 306 E HA -0.156 4.192 4.350 -0.004 0.000 0.193 306 E C 2.192 178.881 176.600 0.148 0.000 0.988 306 E CA 1.052 57.562 56.400 0.183 0.000 0.804 306 E CB -0.176 29.625 29.700 0.168 0.000 0.745 306 E HN 0.762 nan 8.360 nan 0.000 0.458 307 A N 0.387 123.272 122.820 0.109 0.000 2.016 307 A HA -0.141 4.176 4.320 -0.004 0.000 0.217 307 A C 2.024 179.657 177.584 0.081 0.000 1.162 307 A CA 0.986 53.065 52.037 0.071 0.000 0.662 307 A CB -0.264 18.769 19.000 0.055 0.000 0.812 307 A HN 0.283 nan 8.150 nan 0.000 0.450 308 Q N -1.813 118.062 119.800 0.125 0.000 2.083 308 Q HA -0.188 4.150 4.340 -0.004 0.000 0.198 308 Q C 1.892 178.012 176.000 0.199 0.000 0.969 308 Q CA 1.578 57.472 55.803 0.153 0.000 0.838 308 Q CB -0.273 28.554 28.738 0.148 0.000 0.900 308 Q HN 0.701 nan 8.270 nan 0.000 0.436 309 Y N 0.866 121.202 120.300 0.061 0.000 2.242 309 Y HA -0.197 4.350 4.550 -0.004 0.000 0.291 309 Y C 1.883 177.789 175.900 0.009 0.000 1.137 309 Y CA 1.043 59.178 58.100 0.058 0.000 1.181 309 Y CB -0.369 38.147 38.460 0.093 0.000 0.989 309 Y HN 0.240 nan 8.280 nan 0.000 0.527 310 L N 0.653 121.826 121.223 -0.084 0.000 2.046 310 L HA -0.162 4.176 4.340 -0.004 0.000 0.208 310 L C 2.386 179.105 176.870 -0.253 0.000 1.077 310 L CA 1.651 56.357 54.840 -0.225 0.000 0.747 310 L CB -0.676 41.288 42.059 -0.158 0.000 0.896 310 L HN 0.066 nan 8.230 nan 0.000 0.432 311 R N -0.332 120.068 120.500 -0.166 0.000 2.080 311 R HA -0.187 4.150 4.340 -0.004 0.000 0.236 311 R C 2.202 178.364 176.300 -0.230 0.000 1.137 311 R CA 1.847 57.798 56.100 -0.250 0.000 0.943 311 R CB -0.551 29.765 30.300 0.027 0.000 0.846 311 R HN 0.523 nan 8.270 nan 0.000 0.431 312 E N 0.678 120.903 120.200 0.042 0.000 2.086 312 E HA -0.244 4.104 4.350 -0.004 0.000 0.205 312 E C 2.090 178.689 176.600 -0.002 0.000 1.027 312 E CA 1.545 58.029 56.400 0.140 0.000 0.830 312 E CB -0.190 29.656 29.700 0.244 0.000 0.751 312 E HN 0.267 nan 8.360 nan 0.000 0.456 313 L N 0.328 121.440 121.223 -0.184 0.000 2.191 313 L HA -0.163 4.175 4.340 -0.004 0.000 0.212 313 L C 2.514 179.269 176.870 -0.191 0.000 1.103 313 L CA 1.059 55.770 54.840 -0.215 0.000 0.769 313 L CB -0.331 41.501 42.059 -0.380 0.000 0.908 313 L HN 0.193 nan 8.230 nan 0.000 0.438 314 T N -0.586 113.789 114.554 -0.299 0.000 2.812 314 T HA -0.111 4.237 4.350 -0.004 0.000 0.264 314 T C 1.599 176.161 174.700 -0.231 0.000 1.042 314 T CA 1.277 63.171 62.100 -0.344 0.000 1.140 314 T CB -0.333 68.212 68.868 -0.540 0.000 0.870 314 T HN 0.171 nan 8.240 nan 0.000 0.445 315 F N 0.953 120.892 119.950 -0.019 0.000 2.186 315 F HA 0.108 4.632 4.527 -0.004 0.000 0.299 315 F C 2.148 177.985 175.800 0.062 0.000 1.090 315 F CA 0.483 58.483 58.000 -0.001 0.000 1.307 315 F CB -0.479 38.412 39.000 -0.183 0.000 1.019 315 F HN 0.039 nan 8.300 nan 0.000 0.489 316 L N -0.316 121.012 121.223 0.175 0.000 2.201 316 L HA -0.098 4.240 4.340 -0.004 0.000 0.212 316 L C 2.634 179.563 176.870 0.100 0.000 1.105 316 L CA 1.128 56.051 54.840 0.138 0.000 0.775 316 L CB -0.979 41.130 42.059 0.083 0.000 0.913 316 L HN 0.244 nan 8.230 nan 0.000 0.440 317 G N -0.304 108.521 108.800 0.041 0.000 2.396 317 G HA2 -0.131 3.826 3.960 -0.004 0.000 0.214 317 G HA3 -0.131 3.826 3.960 -0.004 0.000 0.214 317 G C 1.593 176.486 174.900 -0.012 0.000 1.166 317 G CA 0.113 45.192 45.100 -0.036 0.000 0.793 317 G HN 0.177 nan 8.290 nan 0.000 0.533 318 L N -0.029 121.258 121.223 0.106 0.000 2.042 318 L HA -0.012 4.325 4.340 -0.004 0.000 0.210 318 L C 2.788 179.766 176.870 0.180 0.000 1.076 318 L CA 0.577 55.538 54.840 0.202 0.000 0.749 318 L CB -0.368 41.902 42.059 0.351 0.000 0.893 318 L HN 0.171 nan 8.230 nan 0.000 0.432 319 L N -0.382 120.975 121.223 0.223 0.000 2.079 319 L HA -0.245 4.093 4.340 -0.004 0.000 0.210 319 L C 2.859 179.767 176.870 0.064 0.000 1.081 319 L CA 1.409 56.347 54.840 0.164 0.000 0.752 319 L CB -0.173 42.043 42.059 0.262 0.000 0.896 319 L HN 0.226 nan 8.230 nan 0.000 0.433 320 R N -1.310 119.202 120.500 0.019 0.000 2.153 320 R HA -0.107 4.230 4.340 -0.004 0.000 0.218 320 R C 2.240 178.465 176.300 -0.125 0.000 1.072 320 R CA 0.706 56.778 56.100 -0.047 0.000 0.990 320 R CB -0.078 30.182 30.300 -0.067 0.000 0.889 320 R HN 0.182 nan 8.270 nan 0.000 0.452 321 R N -0.397 119.983 120.500 -0.199 0.000 2.112 321 R HA 0.031 4.369 4.340 -0.004 0.000 0.216 321 R C -0.051 175.900 176.300 -0.582 0.000 1.080 321 R CA 1.059 56.882 56.100 -0.461 0.000 0.996 321 R CB 0.426 30.342 30.300 -0.640 0.000 0.902 321 R HN 0.115 nan 8.270 nan 0.000 0.449 322 Y N 0.024 120.319 120.300 -0.009 0.000 2.748 322 Y HA 0.316 4.864 4.550 -0.004 0.000 0.359 322 Y C -1.776 174.097 175.900 -0.045 0.000 1.030 322 Y CA -2.331 55.754 58.100 -0.024 0.000 1.169 322 Y CB 1.585 40.021 38.460 -0.039 0.000 1.127 322 Y HN 0.078 nan 8.280 nan 0.000 0.644 323 P HA -0.154 nan 4.420 nan 0.000 0.218 323 P C 0.510 177.820 177.300 0.016 0.000 1.149 323 P CA 1.579 64.694 63.100 0.024 0.000 0.817 323 P CB 0.619 32.324 31.700 0.009 0.000 0.785 324 D N -0.093 120.322 120.400 0.024 0.000 2.194 324 D HA -0.061 4.577 4.640 -0.004 0.000 0.204 324 D C 2.052 178.332 176.300 -0.032 0.000 0.964 324 D CA 0.889 54.891 54.000 0.003 0.000 0.846 324 D CB 0.019 40.826 40.800 0.013 0.000 0.962 324 D HN 0.432 nan 8.370 nan 0.000 0.490 325 R N -0.097 120.371 120.500 -0.053 0.000 2.419 325 R HA 0.248 4.586 4.340 -0.004 0.000 0.235 325 R C 0.563 176.663 176.300 -0.332 0.000 0.899 325 R CA -0.011 55.989 56.100 -0.167 0.000 1.048 325 R CB 0.871 31.071 30.300 -0.167 0.000 1.182 325 R HN 0.006 nan 8.270 nan 0.000 0.544 326 I N 3.473 123.914 120.570 -0.215 0.000 2.437 326 I HA 0.222 4.390 4.170 -0.004 0.000 0.279 326 I C -0.482 175.524 176.117 -0.185 0.000 1.028 326 I CA -0.487 60.627 61.300 -0.309 0.000 1.142 326 I CB 1.798 39.683 38.000 -0.192 0.000 1.266 326 I HN 0.133 nan 8.210 nan 0.000 0.461 327 T N 0.307 114.762 114.554 -0.165 0.000 2.907 327 T HA 0.414 4.762 4.350 -0.004 0.000 0.290 327 T C 0.833 175.522 174.700 -0.019 0.000 1.066 327 T CA -0.653 61.417 62.100 -0.049 0.000 1.012 327 T CB 2.398 71.270 68.868 0.006 0.000 1.184 327 T HN 0.327 nan 8.240 nan 0.000 0.522 328 E N 0.839 121.084 120.200 0.074 0.000 2.070 328 E HA -0.091 4.256 4.350 -0.004 0.000 0.197 328 E C 2.394 179.069 176.600 0.125 0.000 1.004 328 E CA 2.071 58.557 56.400 0.143 0.000 0.805 328 E CB -0.911 28.858 29.700 0.116 0.000 0.744 328 E HN 0.783 nan 8.360 nan 0.000 0.451 329 A N 0.215 123.090 122.820 0.092 0.000 1.917 329 A HA -0.240 4.077 4.320 -0.004 0.000 0.219 329 A C 2.163 179.806 177.584 0.098 0.000 1.182 329 A CA 1.710 53.797 52.037 0.084 0.000 0.633 329 A CB -0.937 18.107 19.000 0.075 0.000 0.819 329 A HN 0.368 nan 8.150 nan 0.000 0.448 330 F N -0.761 119.157 119.950 -0.054 0.000 2.102 330 F HA -0.188 4.336 4.527 -0.004 0.000 0.298 330 F C 2.191 177.991 175.800 -0.000 0.000 1.105 330 F CA 1.768 59.722 58.000 -0.075 0.000 1.239 330 F CB -0.525 38.367 39.000 -0.179 0.000 0.991 330 F HN 0.364 nan 8.300 nan 0.000 0.474 331 Y N 0.033 120.363 120.300 0.050 0.000 2.181 331 Y HA -0.247 4.301 4.550 -0.004 0.000 0.288 331 Y C 2.692 178.523 175.900 -0.115 0.000 1.146 331 Y CA 1.240 59.303 58.100 -0.061 0.000 1.164 331 Y CB -0.427 38.059 38.460 0.042 0.000 0.982 331 Y HN -0.067 nan 8.280 nan 0.000 0.515 332 R N 0.036 120.597 120.500 0.101 0.000 2.105 332 R HA -0.184 4.153 4.340 -0.004 0.000 0.239 332 R C 2.115 178.396 176.300 -0.032 0.000 1.135 332 R CA 1.444 57.561 56.100 0.029 0.000 0.967 332 R CB -0.210 30.112 30.300 0.037 0.000 0.861 332 R HN 0.317 nan 8.270 nan 0.000 0.442 333 E N 0.250 120.404 120.200 -0.077 0.000 2.077 333 E HA -0.139 4.209 4.350 -0.004 0.000 0.193 333 E C 2.051 178.569 176.600 -0.138 0.000 0.989 333 E CA 1.163 57.496 56.400 -0.112 0.000 0.800 333 E CB 0.019 29.632 29.700 -0.144 0.000 0.746 333 E HN 0.143 nan 8.360 nan 0.000 0.452 334 V N 1.151 120.949 119.914 -0.193 0.000 2.427 334 V HA -0.213 3.904 4.120 -0.004 0.000 0.248 334 V C 2.468 178.506 176.094 -0.093 0.000 1.051 334 V CA 1.152 63.374 62.300 -0.130 0.000 1.048 334 V CB -0.441 31.324 31.823 -0.095 0.000 0.666 334 V HN 0.171 nan 8.190 nan 0.000 0.456 335 L N -0.249 120.920 121.223 -0.089 0.000 2.095 335 L HA -0.024 4.313 4.340 -0.004 0.000 0.204 335 L C 2.631 179.445 176.870 -0.094 0.000 1.080 335 L CA 1.211 55.986 54.840 -0.108 0.000 0.759 335 L CB -0.631 41.377 42.059 -0.086 0.000 0.914 335 L HN 0.183 nan 8.230 nan 0.000 0.439 336 R N 1.213 121.671 120.500 -0.070 0.000 2.316 336 R HA -0.049 4.288 4.340 -0.004 0.000 0.202 336 R C 1.285 177.550 176.300 -0.060 0.000 1.029 336 R CA 0.791 56.857 56.100 -0.057 0.000 1.018 336 R CB -0.145 30.131 30.300 -0.040 0.000 0.888 336 R HN 0.380 nan 8.270 nan 0.000 0.471 337 L N 1.324 122.504 121.223 -0.072 0.000 2.737 337 L HA 0.298 4.635 4.340 -0.004 0.000 0.236 337 L C -0.063 176.753 176.870 -0.091 0.000 1.219 337 L CA 0.078 54.879 54.840 -0.064 0.000 1.021 337 L CB 0.154 42.184 42.059 -0.049 0.000 1.291 337 L HN 0.059 nan 8.230 nan 0.000 0.470 347 E N 2.119 122.364 120.200 0.075 0.000 2.028 347 E HA -0.210 4.138 4.350 -0.004 0.000 0.191 347 E C 1.675 178.332 176.600 0.096 0.000 0.988 347 E CA 0.946 57.409 56.400 0.104 0.000 0.799 347 E CB 0.086 29.850 29.700 0.106 0.000 0.755 347 E HN 0.442 nan 8.360 nan 0.000 0.447 348 R N 0.349 120.896 120.500 0.079 0.000 2.105 348 R HA -0.140 4.197 4.340 -0.004 0.000 0.239 348 R C 2.199 178.532 176.300 0.056 0.000 1.135 348 R CA 1.444 57.589 56.100 0.074 0.000 0.967 348 R CB -0.403 29.941 30.300 0.074 0.000 0.861 348 R HN 0.224 nan 8.270 nan 0.000 0.442 349 A N 1.035 123.882 122.820 0.045 0.000 1.972 349 A HA -0.101 4.217 4.320 -0.004 0.000 0.219 349 A C 2.141 179.729 177.584 0.007 0.000 1.169 349 A CA 1.274 53.328 52.037 0.029 0.000 0.635 349 A CB -0.395 18.621 19.000 0.027 0.000 0.810 349 A HN 0.373 nan 8.150 nan 0.000 0.446 350 L N -1.024 120.199 121.223 0.001 0.000 2.072 350 L HA -0.094 4.244 4.340 -0.004 0.000 0.205 350 L C 3.050 179.827 176.870 -0.156 0.000 1.079 350 L CA 0.956 55.764 54.840 -0.053 0.000 0.752 350 L CB -0.617 41.443 42.059 0.002 0.000 0.906 350 L HN 0.374 nan 8.230 nan 0.000 0.436 351 A N 0.026 122.772 122.820 -0.122 0.000 1.877 351 A HA -0.262 4.055 4.320 -0.004 0.000 0.216 351 A C 2.277 179.877 177.584 0.027 0.000 1.186 351 A CA 1.852 53.837 52.037 -0.086 0.000 0.620 351 A CB -0.609 18.425 19.000 0.058 0.000 0.822 351 A HN 0.444 nan 8.150 nan 0.000 0.443 352 E N -0.329 119.901 120.200 0.051 0.000 2.130 352 E HA -0.201 4.146 4.350 -0.004 0.000 0.196 352 E C 2.093 178.716 176.600 0.039 0.000 0.998 352 E CA 1.197 57.641 56.400 0.074 0.000 0.806 352 E CB -0.225 29.512 29.700 0.061 0.000 0.738 352 E HN 0.583 nan 8.360 nan 0.000 0.459 353 A N 0.495 123.305 122.820 -0.016 0.000 1.872 353 A HA -0.088 4.230 4.320 -0.004 0.000 0.214 353 A C 2.134 179.670 177.584 -0.079 0.000 1.187 353 A CA 0.815 52.825 52.037 -0.046 0.000 0.614 353 A CB -0.549 18.413 19.000 -0.065 0.000 0.826 353 A HN 0.266 nan 8.150 nan 0.000 0.442 354 L N -0.460 120.661 121.223 -0.170 0.000 2.191 354 L HA -0.196 4.141 4.340 -0.004 0.000 0.212 354 L C 2.982 179.842 176.870 -0.017 0.000 1.103 354 L CA 0.910 55.582 54.840 -0.279 0.000 0.769 354 L CB -0.407 41.135 42.059 -0.862 0.000 0.908 354 L HN 0.440 nan 8.230 nan 0.000 0.438 355 A N 0.075 122.984 122.820 0.147 0.000 1.972 355 A HA -0.196 4.122 4.320 -0.004 0.000 0.219 355 A C 2.374 180.092 177.584 0.222 0.000 1.169 355 A CA 1.435 53.672 52.037 0.333 0.000 0.635 355 A CB -0.376 18.791 19.000 0.279 0.000 0.810 355 A HN 0.333 nan 8.150 nan 0.000 0.446 356 R N -0.547 120.021 120.500 0.115 0.000 2.115 356 R HA 0.056 4.393 4.340 -0.004 0.000 0.226 356 R C 0.246 176.567 176.300 0.035 0.000 1.100 356 R CA 0.412 56.552 56.100 0.066 0.000 0.980 356 R CB -0.424 29.888 30.300 0.021 0.000 0.875 356 R HN 0.319 nan 8.270 nan 0.000 0.445 357 V N 3.186 123.091 119.914 -0.014 0.000 2.644 357 V HA -0.145 3.973 4.120 -0.004 0.000 0.303 357 V C 0.718 176.777 176.094 -0.059 0.000 1.058 357 V CA 0.891 63.074 62.300 -0.196 0.000 1.228 357 V CB -0.056 31.431 31.823 -0.561 0.000 0.861 357 V HN 0.256 nan 8.190 nan 0.000 0.484 358 E N 3.843 123.977 120.200 -0.109 0.000 2.312 358 E HA 0.205 4.552 4.350 -0.004 0.000 0.259 358 E C 0.740 177.407 176.600 0.111 0.000 1.122 358 E CA -0.562 55.856 56.400 0.030 0.000 0.922 358 E CB 1.084 30.786 29.700 0.003 0.000 1.109 358 E HN 0.660 nan 8.360 nan 0.000 0.442 359 E N 0.550 120.857 120.200 0.180 0.000 2.285 359 E HA -0.106 4.242 4.350 -0.004 0.000 0.194 359 E C 1.385 178.082 176.600 0.163 0.000 0.997 359 E CA 0.594 57.136 56.400 0.237 0.000 0.845 359 E CB 0.185 29.987 29.700 0.170 0.000 0.782 359 E HN 0.294 nan 8.360 nan 0.000 0.491 360 K N 0.493 120.946 120.400 0.088 0.000 2.155 360 K HA -0.020 4.298 4.320 -0.004 0.000 0.203 360 K C 2.085 178.708 176.600 0.037 0.000 1.052 360 K CA 0.851 57.172 56.287 0.058 0.000 0.948 360 K CB 0.072 32.590 32.500 0.030 0.000 0.728 360 K HN 0.000 nan 8.250 nan 0.000 0.448 361 A N 0.340 123.149 122.820 -0.017 0.000 1.929 361 A HA -0.114 4.203 4.320 -0.004 0.000 0.216 361 A C 1.758 179.297 177.584 -0.075 0.000 1.176 361 A CA 0.694 52.665 52.037 -0.110 0.000 0.628 361 A CB -0.737 18.109 19.000 -0.256 0.000 0.816 361 A HN 0.405 nan 8.150 nan 0.000 0.444 362 W N 0.467 121.779 121.300 0.019 0.000 2.358 362 W HA -0.097 4.560 4.660 -0.004 0.000 0.303 362 W C 1.720 178.262 176.519 0.039 0.000 1.208 362 W CA 1.060 58.422 57.345 0.027 0.000 1.274 362 W CB 0.053 29.531 29.460 0.031 0.000 1.138 362 W HN 0.360 nan 8.180 nan 0.000 0.515 363 E N 0.194 120.561 120.200 0.278 0.000 2.438 363 E HA -0.084 4.263 4.350 -0.004 0.000 0.192 363 E C 0.527 177.210 176.600 0.140 0.000 1.110 363 E CA 0.420 56.937 56.400 0.194 0.000 0.893 363 E CB -0.167 29.623 29.700 0.150 0.000 0.990 363 E HN 0.466 nan 8.360 nan 0.000 0.490 364 E N -0.046 120.230 120.200 0.127 0.000 2.558 364 E HA 0.126 4.474 4.350 -0.004 0.000 0.205 364 E C 1.056 177.707 176.600 0.085 0.000 1.006 364 E CA -0.077 56.370 56.400 0.079 0.000 0.961 364 E CB 0.586 30.308 29.700 0.036 0.000 1.044 364 E HN 0.203 nan 8.360 nan 0.000 0.465 365 L N -0.321 120.986 121.223 0.139 0.000 2.600 365 L HA 0.162 4.500 4.340 -0.004 0.000 0.213 365 L C 2.391 179.343 176.870 0.135 0.000 1.045 365 L CA 0.089 55.014 54.840 0.141 0.000 0.863 365 L CB -0.162 42.023 42.059 0.211 0.000 1.189 365 L HN 0.021 nan 8.230 nan 0.000 0.484 366 R N 2.430 123.031 120.500 0.169 0.000 2.105 366 R HA -0.165 4.172 4.340 -0.004 0.000 0.239 366 R C 1.447 177.790 176.300 0.071 0.000 1.135 366 R CA 1.545 57.725 56.100 0.135 0.000 0.967 366 R CB -0.656 29.762 30.300 0.197 0.000 0.861 366 R HN 0.367 nan 8.270 nan 0.000 0.442 367 K N 1.024 121.467 120.400 0.072 0.000 2.790 367 K HA 0.176 4.494 4.320 -0.004 0.000 0.229 367 K C -0.333 176.288 176.600 0.035 0.000 1.040 367 K CA -0.120 56.194 56.287 0.044 0.000 1.211 367 K CB 0.130 32.656 32.500 0.044 0.000 1.002 367 K HN 0.190 nan 8.250 nan 0.000 0.479 378 W N 3.455 124.694 121.300 -0.102 0.000 2.247 378 W HA 0.222 4.880 4.660 -0.004 0.000 0.394 378 W C 0.934 177.355 176.519 -0.164 0.000 0.939 378 W CA 0.016 57.279 57.345 -0.136 0.000 1.548 378 W CB 0.905 30.264 29.460 -0.169 0.000 1.610 378 W HN 0.271 nan 8.180 nan 0.000 0.336 379 T N 0.981 115.539 114.554 0.007 0.000 2.732 379 T HA 0.362 4.709 4.350 -0.004 0.000 0.287 379 T C 1.477 176.129 174.700 -0.079 0.000 0.993 379 T CA 0.305 62.379 62.100 -0.043 0.000 0.966 379 T CB 1.057 69.891 68.868 -0.055 0.000 1.047 379 T HN 0.387 nan 8.240 nan 0.000 0.527 380 A N 0.981 123.686 122.820 -0.192 0.000 1.877 380 A HA -0.027 4.291 4.320 -0.004 0.000 0.216 380 A C 2.089 179.560 177.584 -0.190 0.000 1.186 380 A CA 2.075 53.833 52.037 -0.464 0.000 0.620 380 A CB -0.973 17.465 19.000 -0.936 0.000 0.822 380 A HN 0.901 nan 8.150 nan 0.000 0.443 381 E N 0.205 120.459 120.200 0.090 0.000 2.110 381 E HA -0.019 4.328 4.350 -0.004 0.000 0.193 381 E C 2.199 178.910 176.600 0.185 0.000 0.988 381 E CA 1.279 57.840 56.400 0.267 0.000 0.804 381 E CB -0.479 29.343 29.700 0.203 0.000 0.745 381 E HN 0.583 nan 8.360 nan 0.000 0.458 382 A N 0.720 123.601 122.820 0.102 0.000 1.902 382 A HA -0.187 4.131 4.320 -0.004 0.000 0.217 382 A C 2.262 180.034 177.584 0.313 0.000 1.181 382 A CA 1.318 53.431 52.037 0.126 0.000 0.623 382 A CB -0.692 18.294 19.000 -0.023 0.000 0.818 382 A HN 0.199 nan 8.150 nan 0.000 0.443 383 I N -0.551 120.160 120.570 0.235 0.000 2.179 383 I HA -0.261 3.907 4.170 -0.004 0.000 0.242 383 I C 2.497 178.706 176.117 0.154 0.000 1.088 383 I CA 1.089 62.461 61.300 0.121 0.000 1.357 383 I CB -0.310 37.602 38.000 -0.148 0.000 1.051 383 I HN 0.326 nan 8.210 nan 0.000 0.409 384 L N -0.016 121.330 121.223 0.204 0.000 1.990 384 L HA -0.349 3.989 4.340 -0.004 0.000 0.213 384 L C 2.808 179.753 176.870 0.125 0.000 1.072 384 L CA 1.711 56.691 54.840 0.233 0.000 0.755 384 L CB -0.849 41.412 42.059 0.336 0.000 0.889 384 L HN 0.442 nan 8.230 nan 0.000 0.432 385 H N 0.011 119.129 119.070 0.079 0.000 2.290 385 H HA -0.245 4.309 4.556 -0.004 0.000 0.298 385 H C 2.416 177.781 175.328 0.061 0.000 1.087 385 H CA 2.371 58.443 56.048 0.039 0.000 1.291 385 H CB 0.160 29.950 29.762 0.047 0.000 1.369 385 H HN 0.159 nan 8.280 nan 0.000 0.492 386 R N 0.866 121.515 120.500 0.248 0.000 2.083 386 R HA -0.104 4.234 4.340 -0.004 0.000 0.237 386 R C 2.518 178.817 176.300 -0.002 0.000 1.137 386 R CA 1.897 58.110 56.100 0.188 0.000 0.951 386 R CB -0.850 29.597 30.300 0.244 0.000 0.851 386 R HN 0.312 nan 8.270 nan 0.000 0.434 387 A N 0.577 123.380 122.820 -0.029 0.000 1.883 387 A HA -0.125 4.192 4.320 -0.004 0.000 0.217 387 A C 2.307 179.755 177.584 -0.227 0.000 1.186 387 A CA 1.721 53.681 52.037 -0.129 0.000 0.624 387 A CB -0.732 18.234 19.000 -0.056 0.000 0.822 387 A HN 0.385 nan 8.150 nan 0.000 0.444 388 L N -2.106 118.986 121.223 -0.218 0.000 2.083 388 L HA -0.190 4.148 4.340 -0.004 0.000 0.209 388 L C 2.592 179.282 176.870 -0.299 0.000 1.083 388 L CA 1.670 56.305 54.840 -0.343 0.000 0.752 388 L CB -0.602 41.125 42.059 -0.554 0.000 0.899 388 L HN 0.610 nan 8.230 nan 0.000 0.433 389 Y N 1.108 121.175 120.300 -0.389 0.000 2.133 389 Y HA -0.241 4.306 4.550 -0.004 0.000 0.287 389 Y C 2.463 178.150 175.900 -0.355 0.000 1.134 389 Y CA 1.588 59.492 58.100 -0.327 0.000 1.133 389 Y CB -0.284 38.030 38.460 -0.244 0.000 0.987 389 Y HN 0.166 nan 8.280 nan 0.000 0.502 390 E N 0.208 119.980 120.200 -0.713 0.000 2.058 390 E HA -0.248 4.099 4.350 -0.004 0.000 0.194 390 E C 2.261 178.477 176.600 -0.640 0.000 0.997 390 E CA 1.740 57.446 56.400 -1.157 0.000 0.801 390 E CB -0.448 28.555 29.700 -1.161 0.000 0.746 390 E HN 0.486 nan 8.360 nan 0.000 0.450 391 L N 0.845 121.794 121.223 -0.456 0.000 2.079 391 L HA -0.211 4.126 4.340 -0.004 0.000 0.210 391 L C 2.748 179.474 176.870 -0.241 0.000 1.081 391 L CA 1.139 55.782 54.840 -0.329 0.000 0.752 391 L CB -0.422 41.456 42.059 -0.302 0.000 0.896 391 L HN 0.148 nan 8.230 nan 0.000 0.433 392 S N -0.391 115.156 115.700 -0.256 0.000 2.368 392 S HA -0.143 4.324 4.470 -0.004 0.000 0.225 392 S C 1.930 176.438 174.600 -0.154 0.000 1.030 392 S CA 1.531 59.632 58.200 -0.165 0.000 0.999 392 S CB -0.221 62.900 63.200 -0.131 0.000 0.844 392 S HN 0.190 nan 8.310 nan 0.000 0.459 393 V N 1.911 121.675 119.914 -0.250 0.000 2.323 393 V HA -0.070 4.047 4.120 -0.004 0.000 0.244 393 V C 2.432 178.529 176.094 0.004 0.000 1.041 393 V CA 1.776 64.009 62.300 -0.111 0.000 1.025 393 V CB -0.755 31.026 31.823 -0.070 0.000 0.656 393 V HN 0.490 nan 8.190 nan 0.000 0.451 394 I N 0.012 120.581 120.570 -0.001 0.000 2.127 394 I HA -0.281 3.887 4.170 -0.004 0.000 0.241 394 I C 2.690 178.815 176.117 0.014 0.000 1.075 394 I CA 1.869 63.196 61.300 0.045 0.000 1.334 394 I CB -0.395 37.509 38.000 -0.160 0.000 1.040 394 I HN 0.382 nan 8.210 nan 0.000 0.405 395 E N 0.225 120.397 120.200 -0.047 0.000 2.051 395 E HA -0.261 4.087 4.350 -0.004 0.000 0.192 395 E C 2.347 178.917 176.600 -0.050 0.000 0.991 395 E CA 0.943 57.321 56.400 -0.037 0.000 0.799 395 E CB -0.168 29.513 29.700 -0.031 0.000 0.748 395 E HN 0.321 nan 8.360 nan 0.000 0.449 396 R N 0.464 120.935 120.500 -0.048 0.000 2.115 396 R HA -0.065 4.272 4.340 -0.004 0.000 0.230 396 R C 2.012 178.250 176.300 -0.103 0.000 1.111 396 R CA 1.032 57.101 56.100 -0.052 0.000 0.976 396 R CB -0.025 30.259 30.300 -0.026 0.000 0.870 396 R HN 0.208 nan 8.270 nan 0.000 0.445 397 M N -0.907 118.612 119.600 -0.135 0.000 2.595 397 M HA 0.103 4.580 4.480 -0.004 0.000 0.248 397 M C 0.756 176.648 176.300 -0.680 0.000 1.119 397 M CA 0.860 55.977 55.300 -0.305 0.000 1.079 397 M CB 0.643 33.160 32.600 -0.138 0.000 1.472 397 M HN 0.380 nan 8.290 nan 0.000 0.501 398 G N 0.817 109.360 108.800 -0.430 0.000 2.248 398 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.263 398 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.263 398 G C 0.022 174.668 174.900 -0.424 0.000 1.082 398 G CA -0.330 44.534 45.100 -0.393 0.000 0.863 398 G HN 0.580 nan 8.290 nan 0.000 0.495 399 F N -0.455 119.523 119.950 0.045 0.000 2.724 399 F HA 0.211 4.736 4.527 -0.004 0.000 0.310 399 F C -0.231 175.752 175.800 0.305 0.000 1.107 399 F CA -0.776 57.321 58.000 0.162 0.000 1.218 399 F CB 0.756 39.881 39.000 0.209 0.000 1.042 399 F HN 0.164 nan 8.300 nan 0.000 0.540 400 P HA -0.097 nan 4.420 nan 0.000 0.219 400 P C 1.917 179.360 177.300 0.238 0.000 1.150 400 P CA 1.543 64.769 63.100 0.210 0.000 0.814 400 P CB -0.013 31.736 31.700 0.083 0.000 0.787 401 G N -0.515 108.428 108.800 0.239 0.000 2.440 401 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.218 401 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.218 401 G C 1.632 176.667 174.900 0.226 0.000 1.154 401 G CA 0.653 45.881 45.100 0.215 0.000 0.767 401 G HN 0.184 nan 8.290 nan 0.000 0.552 402 Y N 0.853 121.268 120.300 0.191 0.000 2.114 402 Y HA -0.145 4.402 4.550 -0.004 0.000 0.282 402 Y C 2.379 178.286 175.900 0.012 0.000 1.165 402 Y CA 1.569 59.729 58.100 0.099 0.000 1.148 402 Y CB -0.489 38.014 38.460 0.072 0.000 0.972 402 Y HN 0.180 nan 8.280 nan 0.000 0.504 403 F N -0.449 119.457 119.950 -0.073 0.000 2.146 403 F HA -0.202 4.323 4.527 -0.004 0.000 0.298 403 F C 2.284 177.907 175.800 -0.295 0.000 1.096 403 F CA 1.465 59.344 58.000 -0.203 0.000 1.275 403 F CB -0.746 38.218 39.000 -0.060 0.000 1.008 403 F HN 0.020 nan 8.300 nan 0.000 0.480 404 L N -0.298 120.842 121.223 -0.139 0.000 1.989 404 L HA -0.272 4.066 4.340 -0.004 0.000 0.211 404 L C 2.383 178.908 176.870 -0.574 0.000 1.071 404 L CA 1.442 55.968 54.840 -0.524 0.000 0.749 404 L CB -0.795 40.763 42.059 -0.835 0.000 0.890 404 L HN 0.113 nan 8.230 nan 0.000 0.431 405 I N -0.787 119.611 120.570 -0.287 0.000 2.145 405 I HA -0.334 3.833 4.170 -0.004 0.000 0.244 405 I C 2.431 178.574 176.117 0.042 0.000 1.075 405 I CA 1.486 62.873 61.300 0.145 0.000 1.332 405 I CB -0.397 37.689 38.000 0.145 0.000 1.033 405 I HN 0.050 nan 8.210 nan 0.000 0.410 406 V N 0.665 120.404 119.914 -0.292 0.000 2.307 406 V HA -0.272 3.845 4.120 -0.004 0.000 0.245 406 V C 2.493 178.149 176.094 -0.731 0.000 1.045 406 V CA 2.012 63.900 62.300 -0.687 0.000 1.024 406 V CB -0.897 30.543 31.823 -0.639 0.000 0.651 406 V HN 0.562 nan 8.190 nan 0.000 0.449 407 Q N 0.906 120.476 119.800 -0.383 0.000 2.135 407 Q HA -0.308 4.029 4.340 -0.004 0.000 0.204 407 Q C 1.927 177.842 176.000 -0.143 0.000 0.981 407 Q CA 2.701 58.354 55.803 -0.249 0.000 0.856 407 Q CB -0.518 28.112 28.738 -0.180 0.000 0.902 407 Q HN 0.751 nan 8.270 nan 0.000 0.425 408 D N -0.332 120.055 120.400 -0.021 0.000 2.087 408 D HA -0.223 4.415 4.640 -0.004 0.000 0.192 408 D C 2.070 178.534 176.300 0.272 0.000 0.993 408 D CA 2.117 56.271 54.000 0.257 0.000 0.828 408 D CB -0.521 40.648 40.800 0.616 0.000 0.968 408 D HN 0.549 nan 8.370 nan 0.000 0.448 409 Y N -0.294 120.198 120.300 0.320 0.000 2.373 409 Y HA 0.137 4.684 4.550 -0.004 0.000 0.293 409 Y C 1.974 178.010 175.900 0.226 0.000 1.129 409 Y CA 0.465 58.720 58.100 0.259 0.000 1.226 409 Y CB -0.779 37.936 38.460 0.424 0.000 1.000 409 Y HN 0.071 nan 8.280 nan 0.000 0.549 410 I N 0.845 121.430 120.570 0.024 0.000 2.286 410 I HA -0.233 3.934 4.170 -0.004 0.000 0.245 410 I C 1.599 177.791 176.117 0.125 0.000 1.104 410 I CA 1.210 62.580 61.300 0.117 0.000 1.397 410 I CB -0.386 37.544 38.000 -0.117 0.000 1.072 410 I HN 0.223 nan 8.210 nan 0.000 0.417 411 N N -0.004 118.738 118.700 0.071 0.000 2.309 411 N HA -0.202 4.535 4.740 -0.004 0.000 0.182 411 N C 1.350 176.930 175.510 0.117 0.000 1.018 411 N CA 0.901 53.992 53.050 0.069 0.000 0.876 411 N CB -0.387 38.132 38.487 0.053 0.000 0.972 411 N HN 0.464 nan 8.380 nan 0.000 0.434 412 W N 2.077 123.346 121.300 -0.051 0.000 2.353 412 W HA -0.076 4.582 4.660 -0.005 0.000 0.319 412 W C 2.332 178.844 176.519 -0.013 0.000 1.207 412 W CA 2.378 59.640 57.345 -0.139 0.000 1.291 412 W CB -0.625 28.415 29.460 -0.700 0.000 1.159 412 W HN 0.048 nan 8.180 nan 0.000 0.478 413 A N 0.874 123.814 122.820 0.199 0.000 1.986 413 A HA -0.253 4.065 4.320 -0.004 0.000 0.220 413 A C 2.038 179.599 177.584 -0.038 0.000 1.171 413 A CA 2.060 54.144 52.037 0.079 0.000 0.640 413 A CB -0.782 18.442 19.000 0.372 0.000 0.811 413 A HN 0.474 nan 8.150 nan 0.000 0.451 414 R N -1.321 119.178 120.500 -0.001 0.000 2.062 414 R HA -0.081 4.257 4.340 -0.004 0.000 0.231 414 R C 2.257 178.488 176.300 -0.116 0.000 1.136 414 R CA 1.127 57.206 56.100 -0.035 0.000 0.948 414 R CB -0.695 29.593 30.300 -0.020 0.000 0.845 414 R HN 0.510 nan 8.270 nan 0.000 0.430 415 G N -0.175 108.535 108.800 -0.149 0.000 2.807 415 G HA2 -0.153 3.804 3.960 -0.004 0.000 0.207 415 G HA3 -0.153 3.804 3.960 -0.004 0.000 0.207 415 G C 0.555 175.137 174.900 -0.530 0.000 1.151 415 G CA 0.329 45.275 45.100 -0.257 0.000 0.800 415 G HN 0.425 nan 8.290 nan 0.000 0.523 416 H N -0.685 118.094 119.070 -0.483 0.000 2.637 416 H HA 0.237 4.790 4.556 -0.004 0.000 0.245 416 H C 1.524 176.647 175.328 -0.342 0.000 1.190 416 H CA -0.019 55.690 56.048 -0.565 0.000 0.934 416 H CB 0.629 29.657 29.762 -1.224 0.000 1.950 416 H HN 0.314 nan 8.280 nan 0.000 0.614 417 G N 1.581 110.286 108.800 -0.158 0.000 2.273 417 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.280 417 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.280 417 G C -0.071 174.811 174.900 -0.032 0.000 1.047 417 G CA 0.499 45.549 45.100 -0.083 0.000 0.869 417 G HN 0.226 nan 8.290 nan 0.000 0.502 418 V N 0.507 120.412 119.914 -0.016 0.000 2.407 418 V HA 0.526 4.644 4.120 -0.004 0.000 0.291 418 V C 0.744 176.907 176.094 0.115 0.000 1.018 418 V CA -0.533 61.809 62.300 0.070 0.000 0.842 418 V CB 1.709 33.593 31.823 0.101 0.000 0.996 418 V HN 0.385 nan 8.190 nan 0.000 0.426 419 S N 3.529 119.294 115.700 0.107 0.000 2.562 419 S HA 0.439 4.906 4.470 -0.004 0.000 0.281 419 S C -0.111 174.548 174.600 0.098 0.000 1.333 419 S CA -0.235 58.009 58.200 0.073 0.000 1.052 419 S CB 1.058 64.273 63.200 0.025 0.000 0.884 419 S HN 0.515 nan 8.310 nan 0.000 0.506 420 V N 2.713 122.625 119.914 -0.004 0.000 2.531 420 V HA 0.519 4.636 4.120 -0.004 0.000 0.301 420 V C 0.839 176.818 176.094 -0.192 0.000 1.034 420 V CA -0.914 61.303 62.300 -0.139 0.000 0.865 420 V CB 1.553 33.311 31.823 -0.110 0.000 0.995 420 V HN 0.987 nan 8.190 nan 0.000 0.424 421 G N 4.917 113.552 108.800 -0.275 0.000 2.630 421 G HA2 0.261 4.219 3.960 -0.004 0.000 0.236 421 G HA3 0.261 4.219 3.960 -0.004 0.000 0.236 421 G C -0.859 173.929 174.900 -0.187 0.000 1.248 421 G CA -0.528 44.418 45.100 -0.256 0.000 0.844 421 G HN 0.611 nan 8.290 nan 0.000 0.588 422 P HA 0.090 nan 4.420 nan 0.000 0.222 422 P C 0.817 178.086 177.300 -0.052 0.000 1.147 422 P CA 1.496 64.550 63.100 -0.076 0.000 0.790 422 P CB 0.263 31.924 31.700 -0.066 0.000 0.780 423 G N -0.407 108.365 108.800 -0.047 0.000 2.350 423 G HA2 0.381 4.339 3.960 -0.004 0.000 0.304 423 G HA3 0.381 4.339 3.960 -0.004 0.000 0.304 423 G C -1.766 173.222 174.900 0.147 0.000 1.421 423 G CA -0.908 44.189 45.100 -0.006 0.000 0.934 423 G HN 0.424 nan 8.290 nan 0.000 0.632 424 R N -0.510 120.089 120.500 0.165 0.000 2.740 424 R HA 0.870 5.207 4.340 -0.004 0.000 0.273 424 R C 0.709 177.112 176.300 0.171 0.000 0.998 424 R CA 0.131 56.438 56.100 0.345 0.000 0.900 424 R CB 1.481 32.050 30.300 0.449 0.000 1.223 424 R HN 2.603 nan 8.270 nan 0.000 0.466 425 G N 0.907 109.802 108.800 0.159 0.000 2.601 425 G HA2 -0.380 3.577 3.960 -0.004 0.000 0.261 425 G HA3 -0.380 3.577 3.960 -0.004 0.000 0.261 425 G C 0.650 175.564 174.900 0.023 0.000 1.289 425 G CA 0.278 45.361 45.100 -0.028 0.000 0.920 425 G HN 1.368 nan 8.290 nan 0.000 0.571 426 S N -0.189 115.526 115.700 0.026 0.000 2.500 426 S HA 0.200 4.667 4.470 -0.004 0.000 0.239 426 S C 2.611 177.200 174.600 -0.018 0.000 0.989 426 S CA 1.700 59.940 58.200 0.067 0.000 0.951 426 S CB -0.426 62.863 63.200 0.148 0.000 0.759 426 S HN 2.181 nan 8.310 nan 0.000 0.523 427 A N 2.263 124.999 122.820 -0.141 0.000 1.927 427 A HA 0.070 4.387 4.320 -0.004 0.000 0.220 427 A C 2.473 179.768 177.584 -0.481 0.000 1.185 427 A CA 1.864 53.557 52.037 -0.574 0.000 0.639 427 A CB -1.528 17.293 19.000 -0.299 0.000 0.820 427 A HN 1.047 nan 8.150 nan 0.000 0.451 428 A N -0.804 121.893 122.820 -0.204 0.000 2.248 428 A HA 0.261 4.579 4.320 -0.004 0.000 0.210 428 A C 2.052 179.577 177.584 -0.098 0.000 1.174 428 A CA 1.358 53.321 52.037 -0.123 0.000 0.750 428 A CB -0.985 17.973 19.000 -0.070 0.000 0.780 428 A HN 0.739 nan 8.150 nan 0.000 0.478 429 G N -0.949 107.794 108.800 -0.096 0.000 2.572 429 G HA2 0.124 4.082 3.960 -0.004 0.000 0.216 429 G HA3 0.124 4.082 3.960 -0.004 0.000 0.216 429 G C 0.834 175.801 174.900 0.112 0.000 1.133 429 G CA 0.778 45.889 45.100 0.019 0.000 0.791 429 G HN 0.499 nan 8.290 nan 0.000 0.538 430 S N 0.047 115.778 115.700 0.053 0.000 2.489 430 S HA 0.285 4.753 4.470 -0.004 0.000 0.277 430 S C 1.262 175.944 174.600 0.135 0.000 1.230 430 S CA -0.797 57.563 58.200 0.266 0.000 1.053 430 S CB 1.192 64.577 63.200 0.308 0.000 0.955 430 S HN 0.126 nan 8.310 nan 0.000 0.488 431 L N 7.324 128.611 121.223 0.107 0.000 2.056 431 L HA 0.020 4.358 4.340 -0.004 0.000 0.207 431 L C 2.122 179.037 176.870 0.074 0.000 1.078 431 L CA 1.817 56.706 54.840 0.082 0.000 0.749 431 L CB -0.727 41.337 42.059 0.007 0.000 0.901 431 L HN 0.642 nan 8.230 nan 0.000 0.433 432 V N 0.417 120.320 119.914 -0.019 0.000 2.231 432 V HA -0.394 3.723 4.120 -0.004 0.000 0.248 432 V C 2.845 178.935 176.094 -0.006 0.000 1.054 432 V CA 1.994 64.242 62.300 -0.088 0.000 1.015 432 V CB -1.526 30.165 31.823 -0.220 0.000 0.638 432 V HN 0.651 nan 8.190 nan 0.000 0.444 433 A N -0.966 121.912 122.820 0.097 0.000 1.903 433 A HA -0.346 3.972 4.320 -0.004 0.000 0.219 433 A C 2.181 179.790 177.584 0.042 0.000 1.191 433 A CA 2.622 54.717 52.037 0.096 0.000 0.638 433 A CB -0.944 18.066 19.000 0.016 0.000 0.823 433 A HN 0.692 nan 8.150 nan 0.000 0.451 434 Y N 0.434 120.696 120.300 -0.063 0.000 2.242 434 Y HA -0.008 4.539 4.550 -0.004 0.000 0.291 434 Y C 2.641 178.488 175.900 -0.087 0.000 1.137 434 Y CA 0.974 59.028 58.100 -0.077 0.000 1.181 434 Y CB -0.627 37.796 38.460 -0.061 0.000 0.989 434 Y HN 0.326 nan 8.280 nan 0.000 0.527 435 A N -0.443 122.299 122.820 -0.130 0.000 1.858 435 A HA -0.137 4.181 4.320 -0.004 0.000 0.216 435 A C 1.995 179.440 177.584 -0.231 0.000 1.190 435 A CA 2.125 54.032 52.037 -0.215 0.000 0.617 435 A CB -1.261 17.681 19.000 -0.096 0.000 0.827 435 A HN 0.243 nan 8.150 nan 0.000 0.443 436 V N -0.399 119.413 119.914 -0.170 0.000 3.592 436 V HA 0.291 4.408 4.120 -0.004 0.000 0.272 436 V C 1.684 177.684 176.094 -0.156 0.000 1.228 436 V CA 0.667 62.871 62.300 -0.159 0.000 1.173 436 V CB -1.460 30.275 31.823 -0.147 0.000 0.873 436 V HN 1.163 nan 8.190 nan 0.000 0.476 437 G N 0.587 109.272 108.800 -0.192 0.000 2.153 437 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.252 437 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.252 437 G C 0.689 175.505 174.900 -0.139 0.000 0.994 437 G CA 0.692 45.685 45.100 -0.179 0.000 0.698 437 G HN 0.525 nan 8.290 nan 0.000 0.521 438 I N -0.212 120.281 120.570 -0.129 0.000 2.315 438 I HA 0.005 4.172 4.170 -0.004 0.000 0.248 438 I C 1.607 177.648 176.117 -0.127 0.000 1.117 438 I CA 1.690 62.899 61.300 -0.151 0.000 1.404 438 I CB 0.024 37.938 38.000 -0.143 0.000 1.071 438 I HN 0.263 nan 8.210 nan 0.000 0.419 439 T N -0.097 114.417 114.554 -0.067 0.000 2.887 439 T HA 0.258 4.605 4.350 -0.004 0.000 0.288 439 T C 0.210 174.972 174.700 0.103 0.000 1.021 439 T CA -0.539 61.561 62.100 -0.000 0.000 1.000 439 T CB 1.531 70.411 68.868 0.021 0.000 1.034 439 T HN 0.102 nan 8.240 nan 0.000 0.467 440 N N 2.589 121.360 118.700 0.118 0.000 2.433 440 N HA 0.324 5.061 4.740 -0.004 0.000 0.270 440 N C -1.040 174.620 175.510 0.251 0.000 1.354 440 N CA 0.056 53.223 53.050 0.194 0.000 0.889 440 N CB 0.551 39.063 38.487 0.041 0.000 1.285 440 N HN 0.495 nan 8.380 nan 0.000 0.503 441 I N 0.299 120.965 120.570 0.160 0.000 2.498 441 I HA 0.179 4.347 4.170 -0.004 0.000 0.290 441 I C -0.856 174.918 176.117 -0.572 0.000 1.032 441 I CA -0.714 60.553 61.300 -0.055 0.000 1.073 441 I CB 1.928 39.881 38.000 -0.079 0.000 1.251 441 I HN -0.091 nan 8.210 nan 0.000 0.426 442 D N 9.650 129.707 120.400 -0.571 0.000 2.389 442 D HA 0.087 4.724 4.640 -0.004 0.000 0.263 442 D C -1.654 174.397 176.300 -0.416 0.000 1.255 442 D CA -1.898 51.576 54.000 -0.876 0.000 0.914 442 D CB 1.247 41.826 40.800 -0.368 0.000 1.116 442 D HN 0.281 nan 8.370 nan 0.000 0.502 443 P HA -0.096 nan 4.420 nan 0.000 0.222 443 P C 1.159 178.324 177.300 -0.226 0.000 1.153 443 P CA 0.716 63.680 63.100 -0.227 0.000 0.798 443 P CB 0.147 31.739 31.700 -0.179 0.000 0.796 444 L N -3.399 117.567 121.223 -0.429 0.000 2.556 444 L HA 0.390 4.727 4.340 -0.004 0.000 0.226 444 L C 2.705 179.252 176.870 -0.537 0.000 1.089 444 L CA 0.428 54.847 54.840 -0.702 0.000 0.864 444 L CB -1.215 39.821 42.059 -1.705 0.000 1.067 444 L HN -0.297 nan 8.230 nan 0.000 0.477 445 R N 0.741 120.976 120.500 -0.442 0.000 2.070 445 R HA -0.017 4.320 4.340 -0.004 0.000 0.233 445 R C 0.241 176.219 176.300 -0.535 0.000 1.137 445 R CA 1.297 57.104 56.100 -0.489 0.000 0.945 445 R CB -0.199 29.695 30.300 -0.678 0.000 0.845 445 R HN 0.281 nan 8.270 nan 0.000 0.430 446 F N -1.094 118.792 119.950 -0.107 0.000 2.368 446 F HA 0.320 4.844 4.527 -0.004 0.000 0.315 446 F C 1.525 177.292 175.800 -0.055 0.000 1.145 446 F CA -0.534 57.422 58.000 -0.073 0.000 1.095 446 F CB 0.601 39.539 39.000 -0.104 0.000 1.286 446 F HN 0.024 nan 8.300 nan 0.000 0.530 447 G N 1.830 110.723 108.800 0.155 0.000 3.452 447 G HA2 0.302 4.259 3.960 -0.004 0.000 0.258 447 G HA3 0.302 4.259 3.960 -0.004 0.000 0.258 447 G C -0.130 174.822 174.900 0.088 0.000 1.305 447 G CA -0.281 44.891 45.100 0.119 0.000 1.514 447 G HN 0.322 nan 8.290 nan 0.000 0.593 448 L N 0.348 121.610 121.223 0.064 0.000 2.349 448 L HA 0.453 4.791 4.340 -0.004 0.000 0.275 448 L C 0.018 176.941 176.870 0.087 0.000 1.115 448 L CA -0.447 54.418 54.840 0.043 0.000 0.820 448 L CB 1.321 43.383 42.059 0.005 0.000 1.135 448 L HN 0.002 nan 8.230 nan 0.000 0.445 449 L N 2.480 123.769 121.223 0.111 0.000 2.333 449 L HA 0.252 4.590 4.340 -0.004 0.000 0.280 449 L C 0.573 177.580 176.870 0.228 0.000 1.004 449 L CA -0.512 54.435 54.840 0.178 0.000 0.820 449 L CB 1.851 44.004 42.059 0.156 0.000 1.247 449 L HN 0.515 nan 8.230 nan 0.000 0.416 450 F N 2.061 122.108 119.950 0.161 0.000 2.171 450 F HA -0.167 4.357 4.527 -0.004 0.000 0.300 450 F C 1.852 177.790 175.800 0.230 0.000 1.090 450 F CA 1.732 59.860 58.000 0.214 0.000 1.293 450 F CB 0.246 39.369 39.000 0.206 0.000 1.013 450 F HN 0.577 nan 8.300 nan 0.000 0.486 451 E N -0.130 120.165 120.200 0.159 0.000 2.268 451 E HA -0.115 4.232 4.350 -0.004 0.000 0.195 451 E C 2.139 178.713 176.600 -0.042 0.000 0.995 451 E CA 0.522 56.940 56.400 0.030 0.000 0.836 451 E CB -0.322 29.485 29.700 0.179 0.000 0.763 451 E HN 0.307 nan 8.360 nan 0.000 0.491 452 R N -0.639 119.870 120.500 0.014 0.000 2.193 452 R HA -0.024 4.314 4.340 -0.004 0.000 0.213 452 R C 1.638 177.942 176.300 0.006 0.000 1.055 452 R CA 0.496 56.600 56.100 0.007 0.000 0.995 452 R CB -0.033 30.289 30.300 0.037 0.000 0.893 452 R HN 0.240 nan 8.270 nan 0.000 0.459 453 F N 0.583 120.423 119.950 -0.184 0.000 2.104 453 F HA 0.143 4.668 4.527 -0.004 0.000 0.288 453 F C 0.441 176.080 175.800 -0.269 0.000 1.107 453 F CA 0.842 58.722 58.000 -0.201 0.000 1.208 453 F CB -0.025 38.874 39.000 -0.167 0.000 1.033 453 F HN -0.206 nan 8.300 nan 0.000 0.478 454 L N 1.998 122.760 121.223 -0.769 0.000 2.298 454 L HA 0.261 4.598 4.340 -0.004 0.000 0.284 454 L C -0.604 175.997 176.870 -0.449 0.000 1.013 454 L CA -0.751 53.657 54.840 -0.719 0.000 0.824 454 L CB 0.793 42.403 42.059 -0.747 0.000 1.221 454 L HN 0.102 nan 8.230 nan 0.000 0.418 455 N N 6.166 124.721 118.700 -0.243 0.000 2.401 455 N HA 0.139 4.877 4.740 -0.004 0.000 0.255 455 N C -1.592 173.895 175.510 -0.039 0.000 1.110 455 N CA -1.616 51.372 53.050 -0.104 0.000 0.949 455 N CB 1.475 39.924 38.487 -0.064 0.000 1.110 455 N HN 0.320 nan 8.380 nan 0.000 0.490 456 P HA -0.104 nan 4.420 nan 0.000 0.223 456 P C -0.138 177.207 177.300 0.075 0.000 1.144 456 P CA 1.275 64.428 63.100 0.089 0.000 0.783 456 P CB 0.399 32.214 31.700 0.192 0.000 0.771 457 E N -0.727 119.512 120.200 0.064 0.000 2.451 457 E HA 0.182 4.529 4.350 -0.004 0.000 0.194 457 E C 0.357 176.982 176.600 0.041 0.000 1.027 457 E CA -0.110 56.327 56.400 0.060 0.000 0.914 457 E CB 0.328 30.072 29.700 0.073 0.000 1.054 457 E HN 0.197 nan 8.360 nan 0.000 0.461 458 R N 0.953 121.471 120.500 0.029 0.000 2.512 458 R HA 0.234 4.572 4.340 -0.004 0.000 0.291 458 R C -1.063 175.258 176.300 0.035 0.000 1.097 458 R CA -0.475 55.640 56.100 0.026 0.000 0.940 458 R CB 2.236 32.543 30.300 0.012 0.000 1.198 458 R HN -0.092 nan 8.270 nan 0.000 0.429 459 V N 2.676 122.621 119.914 0.051 0.000 2.377 459 V HA 0.078 4.196 4.120 -0.004 0.000 0.254 459 V C 0.239 176.409 176.094 0.127 0.000 1.060 459 V CA 0.501 62.848 62.300 0.079 0.000 1.068 459 V CB 0.460 32.314 31.823 0.051 0.000 1.113 459 V HN 0.635 nan 8.190 nan 0.000 0.484 460 S N 5.523 121.300 115.700 0.127 0.000 2.548 460 S HA 0.585 5.053 4.470 -0.004 0.000 0.276 460 S C -0.554 174.022 174.600 -0.041 0.000 1.129 460 S CA -0.830 57.424 58.200 0.090 0.000 0.931 460 S CB 1.538 64.738 63.200 0.001 0.000 1.068 460 S HN 0.743 nan 8.310 nan 0.000 0.480 461 M N 6.869 126.418 119.600 -0.086 0.000 2.246 461 M HA 0.344 4.821 4.480 -0.004 0.000 0.350 461 M C -2.111 173.829 176.300 -0.600 0.000 1.406 461 M CA -0.747 54.211 55.300 -0.571 0.000 1.089 461 M CB 0.499 32.908 32.600 -0.319 0.000 1.782 461 M HN 0.397 nan 8.290 nan 0.000 0.457 462 P HA 0.271 nan 4.420 nan 0.000 0.277 462 P C -1.648 175.442 177.300 -0.350 0.000 1.240 462 P CA -0.197 62.533 63.100 -0.617 0.000 0.798 462 P CB 0.721 31.934 31.700 -0.812 0.000 0.979 463 D N 1.089 121.423 120.400 -0.111 0.000 2.303 463 D HA 0.424 5.061 4.640 -0.004 0.000 0.236 463 D C -0.481 175.919 176.300 0.167 0.000 1.068 463 D CA -0.257 53.766 54.000 0.038 0.000 0.830 463 D CB 0.422 41.228 40.800 0.010 0.000 1.109 463 D HN 0.197 nan 8.370 nan 0.000 0.496 464 I N 3.645 124.338 120.570 0.205 0.000 2.371 464 I HA 0.240 4.407 4.170 -0.004 0.000 0.282 464 I C -0.421 175.739 176.117 0.072 0.000 1.031 464 I CA -0.788 60.577 61.300 0.108 0.000 1.180 464 I CB 1.008 38.987 38.000 -0.035 0.000 1.336 464 I HN 0.136 nan 8.210 nan 0.000 0.467 465 D N 4.934 125.369 120.400 0.059 0.000 2.193 465 D HA 0.478 5.116 4.640 -0.004 0.000 0.249 465 D C -0.199 176.095 176.300 -0.010 0.000 1.034 465 D CA -0.144 53.893 54.000 0.062 0.000 0.902 465 D CB 2.164 43.016 40.800 0.087 0.000 1.182 465 D HN 0.317 nan 8.370 nan 0.000 0.436 466 T N 0.847 115.365 114.554 -0.060 0.000 2.916 466 T HA 0.280 4.628 4.350 -0.004 0.000 0.298 466 T C -0.824 173.682 174.700 -0.324 0.000 1.031 466 T CA -0.911 61.030 62.100 -0.265 0.000 0.993 466 T CB 1.890 70.488 68.868 -0.451 0.000 1.045 466 T HN 0.135 nan 8.240 nan 0.000 0.454 467 D N 1.768 121.939 120.400 -0.381 0.000 2.177 467 D HA 0.555 5.193 4.640 -0.004 0.000 0.247 467 D C -0.628 175.334 176.300 -0.564 0.000 1.063 467 D CA -0.034 53.795 54.000 -0.285 0.000 0.867 467 D CB 1.253 41.948 40.800 -0.175 0.000 1.168 467 D HN 0.307 nan 8.370 nan 0.000 0.445 468 F N -0.262 119.708 119.950 0.032 0.000 2.611 468 F HA 0.194 4.719 4.527 -0.004 0.000 0.324 468 F C 0.916 176.730 175.800 0.024 0.000 1.061 468 F CA -1.211 56.813 58.000 0.040 0.000 0.954 468 F CB 1.394 40.457 39.000 0.105 0.000 1.301 468 F HN 0.073 nan 8.300 nan 0.000 0.482 469 S N 0.881 116.722 115.700 0.234 0.000 2.575 469 S HA -0.063 4.404 4.470 -0.004 0.000 0.295 469 S C 0.907 175.600 174.600 0.155 0.000 1.267 469 S CA -0.066 58.215 58.200 0.135 0.000 1.074 469 S CB -0.057 63.209 63.200 0.109 0.000 0.829 469 S HN 0.710 nan 8.310 nan 0.000 0.497 470 D N 4.486 124.955 120.400 0.114 0.000 2.263 470 D HA -0.161 4.476 4.640 -0.004 0.000 0.208 470 D C 1.816 178.178 176.300 0.102 0.000 0.971 470 D CA 1.032 55.101 54.000 0.114 0.000 0.867 470 D CB -0.040 40.815 40.800 0.092 0.000 0.929 470 D HN 0.615 nan 8.370 nan 0.000 0.492 471 R N -0.246 120.311 120.500 0.094 0.000 2.073 471 R HA -0.009 4.328 4.340 -0.004 0.000 0.229 471 R C 1.270 177.621 176.300 0.084 0.000 1.120 471 R CA 1.161 57.312 56.100 0.085 0.000 0.967 471 R CB 0.177 30.525 30.300 0.079 0.000 0.862 471 R HN 0.212 nan 8.270 nan 0.000 0.436 472 E N -0.510 119.748 120.200 0.096 0.000 2.460 472 E HA -0.035 4.313 4.350 -0.004 0.000 0.200 472 E C 1.461 178.109 176.600 0.079 0.000 1.011 472 E CA -0.062 56.393 56.400 0.092 0.000 0.912 472 E CB 0.130 29.888 29.700 0.097 0.000 0.953 472 E HN 0.252 nan 8.360 nan 0.000 0.494 473 R N 1.698 122.254 120.500 0.094 0.000 2.113 473 R HA -0.212 4.125 4.340 -0.004 0.000 0.244 473 R C 1.084 177.385 176.300 0.001 0.000 1.142 473 R CA 2.062 58.194 56.100 0.054 0.000 0.953 473 R CB -0.030 30.370 30.300 0.166 0.000 0.860 473 R HN -0.040 nan 8.270 nan 0.000 0.438 474 D N -0.121 120.293 120.400 0.022 0.000 2.158 474 D HA -0.166 4.471 4.640 -0.004 0.000 0.197 474 D C 2.036 178.334 176.300 -0.005 0.000 0.995 474 D CA 1.224 55.219 54.000 -0.008 0.000 0.846 474 D CB -0.206 40.598 40.800 0.007 0.000 0.941 474 D HN 0.356 nan 8.370 nan 0.000 0.456 475 R N 0.141 120.673 120.500 0.053 0.000 2.096 475 R HA -0.064 4.273 4.340 -0.004 0.000 0.235 475 R C 2.323 178.700 176.300 0.128 0.000 1.127 475 R CA 0.641 56.818 56.100 0.127 0.000 0.968 475 R CB -0.217 30.216 30.300 0.223 0.000 0.861 475 R HN 0.127 nan 8.270 nan 0.000 0.440 476 V N 1.227 121.190 119.914 0.083 0.000 2.307 476 V HA -0.214 3.903 4.120 -0.004 0.000 0.245 476 V C 2.223 178.290 176.094 -0.044 0.000 1.045 476 V CA 1.642 63.964 62.300 0.038 0.000 1.024 476 V CB -0.404 31.268 31.823 -0.250 0.000 0.651 476 V HN 0.251 nan 8.190 nan 0.000 0.449 477 I N 0.084 120.555 120.570 -0.165 0.000 2.208 477 I HA -0.300 3.867 4.170 -0.004 0.000 0.245 477 I C 2.672 178.657 176.117 -0.220 0.000 1.097 477 I CA 1.767 62.861 61.300 -0.343 0.000 1.363 477 I CB -0.411 37.377 38.000 -0.353 0.000 1.051 477 I HN 0.340 nan 8.210 nan 0.000 0.413 478 Q N 0.591 120.304 119.800 -0.145 0.000 2.124 478 Q HA -0.268 4.069 4.340 -0.004 0.000 0.202 478 Q C 2.084 177.965 176.000 -0.199 0.000 0.977 478 Q CA 1.837 57.561 55.803 -0.132 0.000 0.850 478 Q CB -0.658 28.041 28.738 -0.064 0.000 0.901 478 Q HN 0.594 nan 8.270 nan 0.000 0.429 479 Y N -0.332 119.713 120.300 -0.426 0.000 2.097 479 Y HA -0.237 4.310 4.550 -0.004 0.000 0.282 479 Y C 1.907 177.555 175.900 -0.420 0.000 1.152 479 Y CA 2.069 59.758 58.100 -0.686 0.000 1.136 479 Y CB -0.501 37.121 38.460 -1.397 0.000 0.975 479 Y HN -0.001 nan 8.280 nan 0.000 0.498 480 V N 1.526 121.287 119.914 -0.255 0.000 2.287 480 V HA -0.353 3.764 4.120 -0.004 0.000 0.248 480 V C 2.533 178.536 176.094 -0.153 0.000 1.053 480 V CA 2.332 64.560 62.300 -0.121 0.000 1.027 480 V CB -0.742 31.064 31.823 -0.028 0.000 0.646 480 V HN 0.393 nan 8.190 nan 0.000 0.447 481 R N -0.076 120.316 120.500 -0.180 0.000 2.096 481 R HA -0.244 4.094 4.340 -0.004 0.000 0.240 481 R C 2.292 178.488 176.300 -0.174 0.000 1.139 481 R CA 2.119 58.133 56.100 -0.145 0.000 0.952 481 R CB -0.453 29.765 30.300 -0.137 0.000 0.854 481 R HN 0.640 nan 8.270 nan 0.000 0.436 482 E N -0.210 119.834 120.200 -0.260 0.000 2.072 482 E HA -0.185 4.163 4.350 -0.004 0.000 0.191 482 E C 2.113 178.494 176.600 -0.365 0.000 0.985 482 E CA 0.877 57.111 56.400 -0.278 0.000 0.801 482 E CB -0.025 29.502 29.700 -0.289 0.000 0.750 482 E HN 0.097 nan 8.360 nan 0.000 0.452 483 R N -0.144 120.009 120.500 -0.578 0.000 2.090 483 R HA -0.095 4.242 4.340 -0.004 0.000 0.228 483 R C 1.183 177.062 176.300 -0.702 0.000 1.110 483 R CA 1.419 57.056 56.100 -0.772 0.000 0.973 483 R CB -0.099 29.460 30.300 -1.235 0.000 0.869 483 R HN 0.216 nan 8.270 nan 0.000 0.440 484 Y N -1.120 119.059 120.300 -0.203 0.000 2.449 484 Y HA 0.420 4.967 4.550 -0.004 0.000 0.254 484 Y C 0.414 176.263 175.900 -0.086 0.000 1.140 484 Y CA 0.221 58.258 58.100 -0.105 0.000 1.272 484 Y CB 1.345 39.776 38.460 -0.050 0.000 1.114 484 Y HN 0.263 nan 8.280 nan 0.000 0.525 485 G N 0.784 109.574 108.800 -0.017 0.000 2.885 485 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.685 485 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.685 485 G C -0.193 174.691 174.900 -0.026 0.000 1.216 485 G CA -0.515 44.571 45.100 -0.024 0.000 0.790 485 G HN 0.098 nan 8.290 nan 0.000 0.631 486 E N 0.400 120.576 120.200 -0.041 0.000 2.204 486 E HA -0.085 4.263 4.350 -0.004 0.000 0.195 486 E C 2.087 178.670 176.600 -0.029 0.000 0.990 486 E CA 1.983 58.359 56.400 -0.041 0.000 0.821 486 E CB 0.179 29.855 29.700 -0.039 0.000 0.750 486 E HN 0.624 nan 8.360 nan 0.000 0.477 487 D N -1.006 119.383 120.400 -0.018 0.000 2.339 487 D HA -0.026 4.611 4.640 -0.004 0.000 0.217 487 D C 0.836 177.131 176.300 -0.009 0.000 1.050 487 D CA 0.278 54.270 54.000 -0.014 0.000 0.856 487 D CB 0.148 40.943 40.800 -0.008 0.000 0.922 487 D HN 0.095 nan 8.370 nan 0.000 0.518 488 K N -0.420 119.979 120.400 -0.002 0.000 2.440 488 K HA 0.222 4.540 4.320 -0.004 0.000 0.207 488 K C -0.411 176.187 176.600 -0.003 0.000 1.112 488 K CA -0.028 56.266 56.287 0.011 0.000 1.036 488 K CB 2.321 34.845 32.500 0.041 0.000 0.935 488 K HN -0.079 nan 8.250 nan 0.000 0.564 489 V N 1.490 121.391 119.914 -0.023 0.000 2.444 489 V HA 0.709 4.826 4.120 -0.004 0.000 0.294 489 V C -0.814 175.237 176.094 -0.072 0.000 1.022 489 V CA -0.862 61.406 62.300 -0.052 0.000 0.850 489 V CB 1.395 33.180 31.823 -0.063 0.000 0.992 489 V HN 0.179 nan 8.190 nan 0.000 0.426 490 A N 4.266 127.039 122.820 -0.078 0.000 2.587 490 A HA 0.786 5.104 4.320 -0.004 0.000 0.293 490 A C -0.996 176.532 177.584 -0.093 0.000 1.087 490 A CA -0.813 51.175 52.037 -0.082 0.000 0.692 490 A CB 1.722 20.684 19.000 -0.063 0.000 1.291 490 A HN 0.692 nan 8.150 nan 0.000 0.407 491 Q N 0.435 120.181 119.800 -0.091 0.000 2.259 491 Q HA 0.505 4.843 4.340 -0.004 0.000 0.246 491 Q C -0.772 175.201 176.000 -0.046 0.000 0.920 491 Q CA -0.258 55.499 55.803 -0.076 0.000 0.895 491 Q CB 1.486 30.180 28.738 -0.073 0.000 1.220 491 Q HN 0.617 nan 8.270 nan 0.000 0.439 492 I N 1.084 121.640 120.570 -0.024 0.000 2.474 492 I HA 0.163 4.330 4.170 -0.004 0.000 0.287 492 I C 0.840 176.933 176.117 -0.040 0.000 1.048 492 I CA -0.017 61.270 61.300 -0.022 0.000 1.383 492 I CB 0.945 38.919 38.000 -0.042 0.000 1.412 492 I HN 0.630 nan 8.210 nan 0.000 0.531 493 G N 3.782 112.531 108.800 -0.086 0.000 2.507 493 G HA2 0.573 4.530 3.960 -0.004 0.000 0.271 493 G HA3 0.573 4.530 3.960 -0.004 0.000 0.271 493 G C -0.649 173.999 174.900 -0.421 0.000 1.189 493 G CA -0.196 44.740 45.100 -0.274 0.000 0.859 493 G HN 0.551 nan 8.290 nan 0.000 0.542 494 T N -0.204 113.951 114.554 -0.664 0.000 2.900 494 T HA 0.540 4.888 4.350 -0.004 0.000 0.295 494 T C -1.235 172.953 174.700 -0.853 0.000 1.044 494 T CA -0.235 61.559 62.100 -0.511 0.000 0.995 494 T CB 1.531 70.329 68.868 -0.117 0.000 1.072 494 T HN 0.314 nan 8.240 nan 0.000 0.473 495 F N 1.052 121.016 119.950 0.022 0.000 2.646 495 F HA 0.501 5.025 4.527 -0.004 0.000 0.364 495 F C 1.031 176.841 175.800 0.017 0.000 1.137 495 F CA -1.016 56.980 58.000 -0.007 0.000 1.085 495 F CB 1.140 40.134 39.000 -0.009 0.000 1.331 495 F HN 0.800 nan 8.300 nan 0.000 0.472 496 G N 1.682 110.559 108.800 0.129 0.000 2.305 496 G HA2 0.265 4.222 3.960 -0.004 0.000 0.243 496 G HA3 0.265 4.222 3.960 -0.004 0.000 0.243 496 G C 0.019 174.972 174.900 0.088 0.000 1.288 496 G CA -0.248 44.909 45.100 0.094 0.000 0.901 496 G HN 0.533 nan 8.290 nan 0.000 0.516 497 S N 0.835 116.578 115.700 0.071 0.000 2.617 497 S HA 0.245 4.713 4.470 -0.004 0.000 0.269 497 S C 0.389 175.010 174.600 0.035 0.000 1.292 497 S CA -0.590 57.638 58.200 0.046 0.000 1.010 497 S CB 1.285 64.513 63.200 0.048 0.000 0.944 497 S HN 0.502 nan 8.310 nan 0.000 0.536 498 L N 2.728 123.963 121.223 0.020 0.000 2.325 498 L HA 0.352 4.689 4.340 -0.004 0.000 0.284 498 L C 0.431 177.313 176.870 0.020 0.000 1.089 498 L CA -0.584 54.267 54.840 0.019 0.000 0.836 498 L CB 0.314 42.379 42.059 0.009 0.000 1.184 498 L HN 0.777 nan 8.230 nan 0.000 0.444 499 A N 3.536 126.371 122.820 0.025 0.000 2.425 499 A HA 0.221 4.538 4.320 -0.004 0.000 0.249 499 A C 1.319 178.913 177.584 0.017 0.000 1.084 499 A CA -0.058 51.993 52.037 0.023 0.000 0.781 499 A CB 0.647 19.663 19.000 0.026 0.000 1.019 499 A HN 0.906 nan 8.150 nan 0.000 0.490 500 S N 1.768 117.476 115.700 0.014 0.000 2.372 500 S HA -0.219 4.248 4.470 -0.004 0.000 0.227 500 S C 1.869 176.472 174.600 0.005 0.000 1.044 500 S CA 2.052 60.256 58.200 0.008 0.000 1.050 500 S CB -0.296 62.909 63.200 0.007 0.000 0.901 500 S HN 0.776 nan 8.310 nan 0.000 0.447 501 K N 1.305 121.708 120.400 0.006 0.000 2.002 501 K HA -0.005 4.312 4.320 -0.004 0.000 0.209 501 K C 2.566 179.170 176.600 0.007 0.000 1.048 501 K CA 1.222 57.511 56.287 0.003 0.000 0.930 501 K CB -0.446 32.056 32.500 0.004 0.000 0.714 501 K HN 0.351 nan 8.250 nan 0.000 0.438 502 A N 1.559 124.387 122.820 0.015 0.000 1.940 502 A HA -0.167 4.151 4.320 -0.004 0.000 0.219 502 A C 2.356 179.952 177.584 0.020 0.000 1.176 502 A CA 1.967 54.017 52.037 0.021 0.000 0.631 502 A CB -0.702 18.313 19.000 0.026 0.000 0.814 502 A HN 0.376 nan 8.150 nan 0.000 0.446 503 A N -0.347 122.482 122.820 0.015 0.000 1.877 503 A HA -0.080 4.237 4.320 -0.004 0.000 0.216 503 A C 2.201 179.792 177.584 0.012 0.000 1.186 503 A CA 1.495 53.540 52.037 0.012 0.000 0.620 503 A CB -0.637 18.367 19.000 0.006 0.000 0.822 503 A HN 0.482 nan 8.150 nan 0.000 0.443 504 L N -0.780 120.446 121.223 0.005 0.000 2.042 504 L HA -0.251 4.087 4.340 -0.004 0.000 0.210 504 L C 2.676 179.551 176.870 0.009 0.000 1.076 504 L CA 1.985 56.824 54.840 -0.001 0.000 0.749 504 L CB -0.353 41.697 42.059 -0.014 0.000 0.893 504 L HN 0.434 nan 8.230 nan 0.000 0.432 505 K N -0.467 119.940 120.400 0.012 0.000 2.026 505 K HA -0.186 4.132 4.320 -0.004 0.000 0.208 505 K C 1.709 178.335 176.600 0.043 0.000 1.048 505 K CA 1.650 57.951 56.287 0.024 0.000 0.929 505 K CB -0.160 32.358 32.500 0.029 0.000 0.713 505 K HN 0.231 nan 8.250 nan 0.000 0.439 506 D N 0.397 120.821 120.400 0.040 0.000 2.123 506 D HA -0.132 4.505 4.640 -0.004 0.000 0.196 506 D C 1.890 178.220 176.300 0.051 0.000 0.992 506 D CA 0.866 54.891 54.000 0.041 0.000 0.833 506 D CB -0.165 40.655 40.800 0.032 0.000 0.954 506 D HN -0.082 nan 8.370 nan 0.000 0.455 507 V N 0.936 120.888 119.914 0.063 0.000 2.307 507 V HA -0.196 3.921 4.120 -0.004 0.000 0.245 507 V C 2.446 178.656 176.094 0.194 0.000 1.045 507 V CA 1.700 64.073 62.300 0.123 0.000 1.024 507 V CB -0.771 31.117 31.823 0.109 0.000 0.651 507 V HN 0.196 nan 8.190 nan 0.000 0.449 508 A N -0.148 122.742 122.820 0.116 0.000 1.940 508 A HA -0.249 4.069 4.320 -0.004 0.000 0.219 508 A C 2.347 180.000 177.584 0.116 0.000 1.176 508 A CA 1.905 54.007 52.037 0.108 0.000 0.631 508 A CB -0.511 18.513 19.000 0.040 0.000 0.814 508 A HN 0.505 nan 8.150 nan 0.000 0.446 509 R N -0.714 119.837 120.500 0.086 0.000 2.097 509 R HA -0.153 4.185 4.340 -0.004 0.000 0.236 509 R C 2.081 178.412 176.300 0.050 0.000 1.135 509 R CA 1.835 57.975 56.100 0.067 0.000 0.934 509 R CB -0.867 29.464 30.300 0.052 0.000 0.846 509 R HN 0.379 nan 8.270 nan 0.000 0.431 510 V N 0.015 119.946 119.914 0.028 0.000 2.282 510 V HA -0.282 3.836 4.120 -0.004 0.000 0.249 510 V C 1.679 177.702 176.094 -0.118 0.000 1.057 510 V CA 1.787 64.045 62.300 -0.070 0.000 1.032 510 V CB -0.599 31.139 31.823 -0.143 0.000 0.645 510 V HN 0.355 nan 8.190 nan 0.000 0.447 511 Y N 0.705 120.996 120.300 -0.015 0.000 2.619 511 Y HA 0.310 4.857 4.550 -0.004 0.000 0.308 511 Y C 1.762 177.657 175.900 -0.009 0.000 1.192 511 Y CA 0.574 58.664 58.100 -0.017 0.000 1.319 511 Y CB -0.573 37.874 38.460 -0.022 0.000 1.030 511 Y HN 0.397 nan 8.280 nan 0.000 0.517 512 G N 1.342 110.194 108.800 0.088 0.000 2.314 512 G HA2 -0.301 3.657 3.960 -0.004 0.000 0.292 512 G HA3 -0.301 3.657 3.960 -0.004 0.000 0.292 512 G C -0.189 174.752 174.900 0.069 0.000 1.059 512 G CA 0.005 45.142 45.100 0.060 0.000 0.982 512 G HN 0.382 nan 8.290 nan 0.000 0.505 513 I N 1.506 122.122 120.570 0.077 0.000 2.377 513 I HA 0.302 4.469 4.170 -0.004 0.000 0.293 513 I C -1.440 174.709 176.117 0.054 0.000 0.987 513 I CA -2.464 58.870 61.300 0.057 0.000 1.185 513 I CB 1.641 39.670 38.000 0.049 0.000 1.341 513 I HN -0.018 nan 8.210 nan 0.000 0.455 514 P HA -0.086 nan 4.420 nan 0.000 0.264 514 P C 0.697 178.040 177.300 0.072 0.000 1.193 514 P CA 0.267 63.404 63.100 0.061 0.000 0.763 514 P CB 0.434 32.160 31.700 0.043 0.000 0.810 515 H N 4.598 123.675 119.070 0.011 0.000 2.362 515 H HA -0.216 4.338 4.556 -0.003 0.000 0.294 515 H C 1.127 176.460 175.328 0.007 0.000 1.113 515 H CA 2.402 58.456 56.048 0.010 0.000 1.253 515 H CB 0.273 30.040 29.762 0.009 0.000 1.363 515 H HN 0.399 nan 8.280 nan 0.000 0.494 516 K N 0.437 120.806 120.400 -0.052 0.000 2.002 516 K HA -0.088 4.230 4.320 -0.004 0.000 0.209 516 K C 2.507 179.036 176.600 -0.118 0.000 1.048 516 K CA 1.409 57.634 56.287 -0.103 0.000 0.930 516 K CB 0.024 32.539 32.500 0.025 0.000 0.714 516 K HN 0.275 nan 8.250 nan 0.000 0.438 517 K N 0.450 120.812 120.400 -0.063 0.000 2.283 517 K HA -0.034 4.283 4.320 -0.004 0.000 0.202 517 K C 2.117 178.675 176.600 -0.070 0.000 1.048 517 K CA 0.907 57.162 56.287 -0.053 0.000 0.948 517 K CB 0.013 32.496 32.500 -0.028 0.000 0.742 517 K HN 0.150 nan 8.250 nan 0.000 0.458 518 A N 1.631 124.396 122.820 -0.093 0.000 1.897 518 A HA -0.131 4.186 4.320 -0.004 0.000 0.215 518 A C 1.996 179.504 177.584 -0.127 0.000 1.181 518 A CA 1.034 53.015 52.037 -0.093 0.000 0.620 518 A CB -0.159 18.796 19.000 -0.076 0.000 0.821 518 A HN 0.130 nan 8.150 nan 0.000 0.443 519 E N 0.102 120.172 120.200 -0.216 0.000 2.153 519 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 519 E C 1.811 178.345 176.600 -0.111 0.000 0.988 519 E CA 1.178 57.458 56.400 -0.200 0.000 0.811 519 E CB -0.156 29.359 29.700 -0.308 0.000 0.746 519 E HN 0.755 nan 8.360 nan 0.000 0.466 520 E N 0.016 120.160 120.200 -0.093 0.000 2.152 520 E HA -0.089 4.259 4.350 -0.004 0.000 0.192 520 E C 2.195 178.765 176.600 -0.050 0.000 0.983 520 E CA 0.328 56.692 56.400 -0.060 0.000 0.818 520 E CB 0.062 29.732 29.700 -0.049 0.000 0.758 520 E HN 0.181 nan 8.360 nan 0.000 0.467 521 L N 0.356 121.546 121.223 -0.055 0.000 2.156 521 L HA -0.093 4.245 4.340 -0.004 0.000 0.208 521 L C 2.413 179.259 176.870 -0.041 0.000 1.095 521 L CA 0.877 55.690 54.840 -0.046 0.000 0.770 521 L CB -0.185 41.845 42.059 -0.048 0.000 0.914 521 L HN 0.113 nan 8.230 nan 0.000 0.439 522 A N -0.415 122.378 122.820 -0.046 0.000 2.014 522 A HA -0.138 4.179 4.320 -0.004 0.000 0.218 522 A C 2.168 179.735 177.584 -0.029 0.000 1.163 522 A CA 1.134 53.150 52.037 -0.035 0.000 0.652 522 A CB -0.212 18.765 19.000 -0.038 0.000 0.808 522 A HN 0.286 nan 8.150 nan 0.000 0.449 523 K N -0.362 120.019 120.400 -0.033 0.000 2.487 523 K HA 0.214 4.532 4.320 -0.004 0.000 0.192 523 K C 1.158 177.745 176.600 -0.023 0.000 1.027 523 K CA 0.163 56.434 56.287 -0.027 0.000 1.054 523 K CB -0.106 32.377 32.500 -0.029 0.000 0.824 523 K HN 0.446 nan 8.250 nan 0.000 0.510 524 L N 0.904 122.113 121.223 -0.024 0.000 2.313 524 L HA 0.046 4.383 4.340 -0.004 0.000 0.214 524 L C 0.739 177.599 176.870 -0.016 0.000 1.119 524 L CA 0.322 55.149 54.840 -0.021 0.000 0.809 524 L CB -0.093 41.952 42.059 -0.023 0.000 0.933 524 L HN 0.089 nan 8.230 nan 0.000 0.449 525 I N 0.711 121.272 120.570 -0.015 0.000 2.471 525 I HA 0.150 4.318 4.170 -0.004 0.000 0.286 525 I C -2.022 174.092 176.117 -0.005 0.000 1.079 525 I CA -1.964 59.331 61.300 -0.009 0.000 1.398 525 I CB 0.047 38.042 38.000 -0.008 0.000 1.403 525 I HN -0.189 nan 8.210 nan 0.000 0.530 526 P HA 0.164 nan 4.420 nan 0.000 0.272 526 P C -0.807 176.499 177.300 0.009 0.000 1.223 526 P CA -0.265 62.837 63.100 0.003 0.000 0.784 526 P CB 0.772 32.476 31.700 0.006 0.000 0.923 527 V N 2.993 122.913 119.914 0.009 0.000 2.349 527 V HA 0.152 4.270 4.120 -0.004 0.000 0.284 527 V C 1.161 177.271 176.094 0.027 0.000 1.014 527 V CA -0.100 62.209 62.300 0.015 0.000 0.826 527 V CB 0.801 32.623 31.823 -0.002 0.000 1.009 527 V HN 0.648 nan 8.190 nan 0.000 0.431 528 Q N 3.682 123.521 119.800 0.064 0.000 2.373 528 Q HA 0.241 4.579 4.340 -0.004 0.000 0.210 528 Q C 0.054 176.181 176.000 0.211 0.000 0.913 528 Q CA 0.657 56.524 55.803 0.106 0.000 0.911 528 Q CB 0.666 29.464 28.738 0.101 0.000 1.040 528 Q HN 0.501 nan 8.270 nan 0.000 0.521 529 F N 0.295 120.248 119.950 0.005 0.000 3.228 529 F HA 0.456 4.980 4.527 -0.004 0.000 0.390 529 F C 0.607 176.413 175.800 0.011 0.000 1.235 529 F CA 0.238 58.243 58.000 0.009 0.000 1.236 529 F CB 1.291 40.299 39.000 0.013 0.000 1.855 529 F HN 0.261 nan 8.300 nan 0.000 0.647 530 G N 3.013 111.753 108.800 -0.099 0.000 3.639 530 G HA2 -0.327 3.630 3.960 -0.004 0.000 0.224 530 G HA3 -0.327 3.630 3.960 -0.004 0.000 0.224 530 G C 0.476 175.382 174.900 0.010 0.000 1.339 530 G CA 0.505 45.572 45.100 -0.055 0.000 0.933 530 G HN 0.457 nan 8.290 nan 0.000 0.568 531 K N 2.339 122.775 120.400 0.060 0.000 2.098 531 K HA 0.498 4.815 4.320 -0.004 0.000 0.258 531 K C -2.154 174.475 176.600 0.049 0.000 0.973 531 K CA -1.618 54.701 56.287 0.053 0.000 0.898 531 K CB 1.729 34.268 32.500 0.065 0.000 1.057 531 K HN 0.212 nan 8.250 nan 0.000 0.447 532 P HA 0.000 nan 4.420 nan 0.000 0.271 532 P C -0.891 176.427 177.300 0.031 0.000 1.233 532 P CA -0.000 63.115 63.100 0.026 0.000 0.789 532 P CB 0.591 32.301 31.700 0.017 0.000 0.951 533 K N 1.728 122.142 120.400 0.024 0.000 2.185 533 K HA 0.309 4.626 4.320 -0.004 0.000 0.271 533 K C -2.116 174.493 176.600 0.015 0.000 1.013 533 K CA -1.718 54.583 56.287 0.022 0.000 0.943 533 K CB -0.268 32.243 32.500 0.018 0.000 0.998 533 K HN 0.341 nan 8.250 nan 0.000 0.468 534 P HA -0.085 nan 4.420 nan 0.000 0.265 534 P C 0.334 177.635 177.300 0.002 0.000 1.187 534 P CA 0.342 63.447 63.100 0.009 0.000 0.766 534 P CB 0.445 32.150 31.700 0.009 0.000 0.820 535 L N 1.663 122.884 121.223 -0.002 0.000 2.549 535 L HA -0.190 4.147 4.340 -0.004 0.000 0.229 535 L C 2.345 179.209 176.870 -0.010 0.000 1.158 535 L CA 1.014 55.849 54.840 -0.008 0.000 0.842 535 L CB -0.415 41.636 42.059 -0.013 0.000 0.952 535 L HN 0.438 nan 8.230 nan 0.000 0.452 536 Q N 0.481 120.278 119.800 -0.006 0.000 2.096 536 Q HA -0.262 4.075 4.340 -0.004 0.000 0.204 536 Q C 1.907 177.904 176.000 -0.006 0.000 0.982 536 Q CA 1.998 57.798 55.803 -0.006 0.000 0.850 536 Q CB 0.164 28.902 28.738 -0.001 0.000 0.901 536 Q HN 0.424 nan 8.270 nan 0.000 0.422 537 E N -0.214 119.984 120.200 -0.003 0.000 2.060 537 E HA 0.173 4.520 4.350 -0.004 0.000 0.189 537 E C 0.359 176.955 176.600 -0.006 0.000 0.974 537 E CA 0.703 57.101 56.400 -0.003 0.000 0.808 537 E CB -0.243 29.457 29.700 0.000 0.000 0.768 537 E HN 0.426 nan 8.360 nan 0.000 0.453 545 L N 2.476 123.689 121.223 -0.015 0.000 3.073 545 L HA 0.233 4.571 4.340 -0.004 0.000 0.242 545 L C 1.858 178.716 176.870 -0.020 0.000 1.317 545 L CA 0.087 54.916 54.840 -0.017 0.000 1.081 545 L CB -0.023 42.025 42.059 -0.017 0.000 1.456 545 L HN 0.074 nan 8.230 nan 0.000 0.525 546 R N -0.400 120.088 120.500 -0.020 0.000 2.307 546 R HA 0.058 4.395 4.340 -0.004 0.000 0.199 546 R C 1.564 177.849 176.300 -0.025 0.000 1.000 546 R CA 0.864 56.949 56.100 -0.024 0.000 1.023 546 R CB -0.252 30.035 30.300 -0.023 0.000 0.908 546 R HN 0.281 nan 8.270 nan 0.000 0.473 547 A N 1.731 124.538 122.820 -0.022 0.000 2.234 547 A HA -0.180 4.138 4.320 -0.004 0.000 0.216 547 A C 1.880 179.449 177.584 -0.024 0.000 1.167 547 A CA 1.465 53.489 52.037 -0.021 0.000 0.698 547 A CB -0.365 18.624 19.000 -0.018 0.000 0.779 547 A HN 0.483 nan 8.150 nan 0.000 0.475 548 E N -0.124 120.059 120.200 -0.027 0.000 2.274 548 E HA -0.089 4.259 4.350 -0.004 0.000 0.194 548 E C 1.755 178.333 176.600 -0.037 0.000 0.996 548 E CA 1.222 57.603 56.400 -0.031 0.000 0.840 548 E CB -0.393 29.288 29.700 -0.032 0.000 0.772 548 E HN 0.687 nan 8.360 nan 0.000 0.491 549 M N -0.284 119.293 119.600 -0.039 0.000 2.200 549 M HA -0.057 4.420 4.480 -0.004 0.000 0.265 549 M C 1.766 178.042 176.300 -0.041 0.000 1.066 549 M CA 1.211 56.483 55.300 -0.046 0.000 1.127 549 M CB -0.057 32.515 32.600 -0.047 0.000 1.379 549 M HN -0.031 nan 8.290 nan 0.000 0.420 550 E N 1.010 121.191 120.200 -0.032 0.000 2.118 550 E HA -0.154 4.194 4.350 -0.004 0.000 0.195 550 E C 1.790 178.374 176.600 -0.026 0.000 0.992 550 E CA 1.330 57.714 56.400 -0.027 0.000 0.804 550 E CB -0.124 29.563 29.700 -0.022 0.000 0.741 550 E HN 0.411 nan 8.360 nan 0.000 0.458 551 K N 0.106 120.491 120.400 -0.026 0.000 1.965 551 K HA -0.070 4.247 4.320 -0.004 0.000 0.214 551 K C 0.570 177.154 176.600 -0.026 0.000 1.046 551 K CA 1.229 57.502 56.287 -0.023 0.000 0.944 551 K CB -0.174 32.313 32.500 -0.022 0.000 0.726 551 K HN 0.030 nan 8.250 nan 0.000 0.441 552 D N 0.242 120.623 120.400 -0.032 0.000 2.193 552 D HA 0.067 4.704 4.640 -0.004 0.000 0.244 552 D C 0.190 176.462 176.300 -0.047 0.000 1.064 552 D CA -0.022 53.957 54.000 -0.036 0.000 0.845 552 D CB 1.424 42.202 40.800 -0.037 0.000 1.148 552 D HN 0.056 nan 8.370 nan 0.000 0.464 553 E N 2.081 122.255 120.200 -0.043 0.000 2.274 553 E HA -0.085 4.263 4.350 -0.004 0.000 0.194 553 E C 1.555 178.107 176.600 -0.079 0.000 0.996 553 E CA 0.228 56.596 56.400 -0.053 0.000 0.840 553 E CB 0.419 30.097 29.700 -0.036 0.000 0.772 553 E HN 0.318 nan 8.360 nan 0.000 0.491 554 R N 0.613 121.068 120.500 -0.076 0.000 2.083 554 R HA -0.113 4.224 4.340 -0.004 0.000 0.237 554 R C 2.255 178.431 176.300 -0.207 0.000 1.137 554 R CA 1.066 57.097 56.100 -0.115 0.000 0.951 554 R CB -0.440 29.826 30.300 -0.056 0.000 0.851 554 R HN 0.267 nan 8.270 nan 0.000 0.434 555 I N 0.115 120.597 120.570 -0.146 0.000 2.676 555 I HA -0.156 4.012 4.170 -0.004 0.000 0.259 555 I C 2.398 178.423 176.117 -0.154 0.000 1.194 555 I CA 0.605 61.814 61.300 -0.152 0.000 1.473 555 I CB -0.251 37.692 38.000 -0.094 0.000 1.096 555 I HN 0.074 nan 8.210 nan 0.000 0.443 556 R N 0.861 121.280 120.500 -0.134 0.000 2.094 556 R HA -0.210 4.127 4.340 -0.004 0.000 0.239 556 R C 2.332 178.542 176.300 -0.151 0.000 1.137 556 R CA 1.722 57.752 56.100 -0.117 0.000 0.943 556 R CB -0.395 29.851 30.300 -0.090 0.000 0.850 556 R HN 0.497 nan 8.270 nan 0.000 0.433 557 Q N 0.109 119.780 119.800 -0.215 0.000 1.967 557 Q HA -0.148 4.190 4.340 -0.004 0.000 0.202 557 Q C 2.320 178.135 176.000 -0.310 0.000 0.985 557 Q CA 1.801 57.445 55.803 -0.265 0.000 0.839 557 Q CB -0.349 28.168 28.738 -0.369 0.000 0.906 557 Q HN 0.157 nan 8.270 nan 0.000 0.423 558 V N 1.566 121.197 119.914 -0.472 0.000 2.277 558 V HA -0.338 3.780 4.120 -0.004 0.000 0.255 558 V C 2.237 178.235 176.094 -0.160 0.000 1.074 558 V CA 2.091 64.183 62.300 -0.348 0.000 1.058 558 V CB -0.657 30.989 31.823 -0.295 0.000 0.656 558 V HN 0.351 nan 8.190 nan 0.000 0.449 559 I N -0.709 119.779 120.570 -0.136 0.000 2.286 559 I HA -0.201 3.967 4.170 -0.004 0.000 0.245 559 I C 2.528 178.602 176.117 -0.072 0.000 1.104 559 I CA 1.564 62.813 61.300 -0.085 0.000 1.397 559 I CB -0.413 37.542 38.000 -0.074 0.000 1.072 559 I HN 0.367 nan 8.210 nan 0.000 0.417 560 E N 0.386 120.537 120.200 -0.083 0.000 2.072 560 E HA -0.166 4.181 4.350 -0.004 0.000 0.191 560 E C 2.310 178.875 176.600 -0.057 0.000 0.985 560 E CA 1.288 57.648 56.400 -0.067 0.000 0.801 560 E CB -0.037 29.620 29.700 -0.072 0.000 0.750 560 E HN 0.261 nan 8.360 nan 0.000 0.452 561 V N 1.369 121.246 119.914 -0.062 0.000 2.343 561 V HA -0.269 3.848 4.120 -0.004 0.000 0.247 561 V C 2.316 178.397 176.094 -0.021 0.000 1.051 561 V CA 1.822 64.103 62.300 -0.031 0.000 1.036 561 V CB -0.735 31.096 31.823 0.014 0.000 0.654 561 V HN 0.326 nan 8.190 nan 0.000 0.451 562 A N 0.857 123.663 122.820 -0.024 0.000 2.019 562 A HA -0.210 4.107 4.320 -0.004 0.000 0.219 562 A C 2.220 179.794 177.584 -0.017 0.000 1.164 562 A CA 2.169 54.197 52.037 -0.015 0.000 0.644 562 A CB -0.482 18.508 19.000 -0.017 0.000 0.805 562 A HN 0.705 nan 8.150 nan 0.000 0.449 563 M N -2.781 116.805 119.600 -0.023 0.000 2.514 563 M HA 0.233 4.711 4.480 -0.004 0.000 0.258 563 M C 1.803 178.091 176.300 -0.020 0.000 1.119 563 M CA 1.491 56.779 55.300 -0.020 0.000 1.111 563 M CB -0.089 32.498 32.600 -0.022 0.000 1.390 563 M HN 0.137 nan 8.290 nan 0.000 0.475 564 R N 1.442 121.927 120.500 -0.025 0.000 2.200 564 R HA 0.244 4.581 4.340 -0.004 0.000 0.208 564 R C 1.447 177.736 176.300 -0.019 0.000 1.033 564 R CA 0.978 57.062 56.100 -0.027 0.000 1.000 564 R CB -0.149 30.127 30.300 -0.039 0.000 0.906 564 R HN 0.507 nan 8.270 nan 0.000 0.462 565 L N -0.374 120.839 121.223 -0.017 0.000 2.640 565 L HA 0.246 4.583 4.340 -0.004 0.000 0.230 565 L C 1.702 178.565 176.870 -0.012 0.000 1.123 565 L CA 0.003 54.834 54.840 -0.015 0.000 0.900 565 L CB 0.025 42.073 42.059 -0.017 0.000 1.146 565 L HN 0.252 nan 8.230 nan 0.000 0.484 566 E N 1.404 121.599 120.200 -0.009 0.000 2.031 566 E HA -0.191 4.156 4.350 -0.004 0.000 0.193 566 E C 2.111 178.708 176.600 -0.004 0.000 0.994 566 E CA 1.442 57.840 56.400 -0.004 0.000 0.800 566 E CB -0.056 29.643 29.700 -0.001 0.000 0.752 566 E HN 0.446 nan 8.360 nan 0.000 0.447 567 G N 0.963 109.758 108.800 -0.007 0.000 2.559 567 G HA2 -0.075 3.882 3.960 -0.004 0.000 0.216 567 G HA3 -0.075 3.882 3.960 -0.004 0.000 0.216 567 G C 0.827 175.702 174.900 -0.041 0.000 1.126 567 G CA 0.025 45.118 45.100 -0.012 0.000 0.778 567 G HN 0.092 nan 8.290 nan 0.000 0.543 568 L N 0.285 121.480 121.223 -0.047 0.000 2.473 568 L HA 0.160 4.497 4.340 -0.004 0.000 0.265 568 L C 0.111 176.933 176.870 -0.081 0.000 1.243 568 L CA -0.375 54.416 54.840 -0.081 0.000 0.822 568 L CB 0.135 42.163 42.059 -0.052 0.000 1.101 568 L HN 0.062 nan 8.230 nan 0.000 0.507 569 N N 0.396 119.024 118.700 -0.118 0.000 2.430 569 N HA 0.356 5.093 4.740 -0.004 0.000 0.298 569 N C 0.215 175.715 175.510 -0.016 0.000 1.130 569 N CA -0.743 52.261 53.050 -0.077 0.000 0.894 569 N CB 1.782 40.169 38.487 -0.167 0.000 1.209 569 N HN 0.409 nan 8.380 nan 0.000 0.503 570 R N 0.422 120.947 120.500 0.041 0.000 0.815 570 R HA 0.242 4.579 4.340 -0.004 0.000 0.063 570 R C 0.719 177.070 176.300 0.085 0.000 0.638 570 R CA 0.460 56.611 56.100 0.085 0.000 2.117 570 R CB -0.531 29.834 30.300 0.108 0.000 0.568 570 R HN 0.616 nan 8.270 nan 0.000 0.775 571 H N -1.775 117.356 119.070 0.101 0.000 3.379 571 H HA 0.558 5.112 4.556 -0.004 0.000 0.298 571 H C -0.951 174.439 175.328 0.105 0.000 1.672 571 H CA -0.691 55.431 56.048 0.123 0.000 1.446 571 H CB 1.688 31.510 29.762 0.101 0.000 1.710 571 H HN 0.407 nan 8.280 nan 0.000 0.791 572 A N 1.360 124.314 122.820 0.224 0.000 2.394 572 A HA 0.426 4.744 4.320 -0.004 0.000 0.333 572 A C -0.291 177.211 177.584 -0.136 0.000 1.397 572 A CA -0.428 51.564 52.037 -0.074 0.000 0.884 572 A CB 0.112 19.091 19.000 -0.034 0.000 1.147 572 A HN 0.457 nan 8.150 nan 0.000 0.505 573 S N 0.344 115.926 115.700 -0.196 0.000 2.669 573 S HA 0.497 4.965 4.470 -0.004 0.000 0.270 573 S C 0.518 175.009 174.600 -0.181 0.000 1.225 573 S CA -0.566 57.550 58.200 -0.141 0.000 0.991 573 S CB 1.244 64.385 63.200 -0.099 0.000 0.987 573 S HN 0.553 nan 8.310 nan 0.000 0.552 574 V N 1.420 121.266 119.914 -0.113 0.000 2.732 574 V HA 0.176 4.293 4.120 -0.004 0.000 0.297 574 V C 0.157 176.224 176.094 -0.045 0.000 1.060 574 V CA -0.482 61.769 62.300 -0.082 0.000 1.038 574 V CB 0.413 32.201 31.823 -0.058 0.000 1.003 574 V HN 0.811 nan 8.190 nan 0.000 0.481 575 H N 2.697 121.711 119.070 -0.093 0.000 2.722 575 H HA 0.382 4.936 4.556 -0.004 0.000 0.328 575 H C 1.100 176.420 175.328 -0.013 0.000 1.067 575 H CA 0.396 56.415 56.048 -0.048 0.000 1.447 575 H CB 1.452 31.195 29.762 -0.033 0.000 1.469 575 H HN 0.801 nan 8.280 nan 0.000 0.544 576 A N 3.842 126.493 122.820 -0.282 0.000 2.186 576 A HA -0.087 4.230 4.320 -0.004 0.000 0.219 576 A C 1.824 179.432 177.584 0.041 0.000 1.159 576 A CA 1.871 53.840 52.037 -0.114 0.000 0.680 576 A CB -0.445 18.469 19.000 -0.142 0.000 0.787 576 A HN 0.795 nan 8.150 nan 0.000 0.467 577 A N -1.800 121.135 122.820 0.191 0.000 2.010 577 A HA 0.512 4.830 4.320 -0.004 0.000 0.193 577 A C 1.375 179.151 177.584 0.320 0.000 1.659 577 A CA 0.710 52.936 52.037 0.315 0.000 1.175 577 A CB -0.662 18.539 19.000 0.334 0.000 1.301 577 A HN 0.947 nan 8.150 nan 0.000 0.448 578 G N 0.250 109.266 108.800 0.359 0.000 2.340 578 G HA2 0.458 4.415 3.960 -0.004 0.000 0.245 578 G HA3 0.458 4.415 3.960 -0.004 0.000 0.245 578 G C -0.563 174.360 174.900 0.038 0.000 1.294 578 G CA 0.430 45.595 45.100 0.108 0.000 0.896 578 G HN 0.534 nan 8.290 nan 0.000 0.522 579 V N 2.519 122.441 119.914 0.014 0.000 2.888 579 V HA 0.444 4.562 4.120 -0.004 0.000 0.309 579 V C -0.340 175.736 176.094 -0.030 0.000 1.114 579 V CA -0.662 61.583 62.300 -0.092 0.000 0.940 579 V CB 2.343 33.969 31.823 -0.328 0.000 1.021 579 V HN 0.693 nan 8.190 nan 0.000 0.426 580 V N 4.832 124.716 119.914 -0.049 0.000 2.495 580 V HA 0.601 4.718 4.120 -0.004 0.000 0.298 580 V C -0.449 175.624 176.094 -0.035 0.000 1.031 580 V CA -0.567 61.727 62.300 -0.011 0.000 0.871 580 V CB 1.797 33.624 31.823 0.006 0.000 0.988 580 V HN 0.691 nan 8.190 nan 0.000 0.432 581 I N 3.955 124.513 120.570 -0.020 0.000 2.359 581 I HA 0.675 4.842 4.170 -0.004 0.000 0.284 581 I C 0.594 176.706 176.117 -0.009 0.000 1.018 581 I CA -0.330 60.938 61.300 -0.055 0.000 1.173 581 I CB 1.455 39.353 38.000 -0.169 0.000 1.326 581 I HN 0.742 nan 8.210 nan 0.000 0.462 582 A N 4.299 127.126 122.820 0.011 0.000 2.286 582 A HA 0.764 5.082 4.320 -0.004 0.000 0.286 582 A C 1.068 178.683 177.584 0.051 0.000 1.097 582 A CA 0.090 52.151 52.037 0.040 0.000 0.821 582 A CB 1.021 20.046 19.000 0.041 0.000 1.076 582 A HN 0.837 nan 8.150 nan 0.000 0.490 583 A N 0.488 123.351 122.820 0.071 0.000 1.943 583 A HA 0.220 4.537 4.320 -0.004 0.000 0.213 583 A C 0.872 178.502 177.584 0.076 0.000 1.181 583 A CA 0.972 53.059 52.037 0.084 0.000 0.653 583 A CB -0.185 18.873 19.000 0.097 0.000 0.833 583 A HN 0.836 nan 8.150 nan 0.000 0.451 584 E N -0.506 119.734 120.200 0.068 0.000 2.264 584 E HA 0.402 4.749 4.350 -0.004 0.000 0.260 584 E C -2.713 173.914 176.600 0.044 0.000 0.961 584 E CA -2.735 53.700 56.400 0.058 0.000 0.834 584 E CB 0.873 30.611 29.700 0.064 0.000 1.230 584 E HN -0.026 nan 8.360 nan 0.000 0.412 585 P HA -0.084 nan 4.420 nan 0.000 0.258 585 P C 0.394 177.697 177.300 0.006 0.000 1.172 585 P CA 0.562 63.671 63.100 0.015 0.000 0.762 585 P CB 0.351 32.056 31.700 0.009 0.000 0.764 586 L N 2.860 124.081 121.223 -0.003 0.000 2.034 586 L HA -0.279 4.058 4.340 -0.004 0.000 0.217 586 L C 2.031 178.876 176.870 -0.042 0.000 1.077 586 L CA 2.395 57.226 54.840 -0.014 0.000 0.769 586 L CB -1.189 40.852 42.059 -0.029 0.000 0.890 586 L HN 0.430 nan 8.230 nan 0.000 0.435 587 T N -2.561 111.953 114.554 -0.067 0.000 3.052 587 T HA -0.160 4.188 4.350 -0.004 0.000 0.270 587 T C 1.164 175.785 174.700 -0.133 0.000 1.147 587 T CA 1.026 63.054 62.100 -0.119 0.000 1.089 587 T CB -0.372 68.424 68.868 -0.120 0.000 0.875 587 T HN 0.294 nan 8.240 nan 0.000 0.541 588 D N 0.032 120.392 120.400 -0.066 0.000 2.347 588 D HA 0.158 4.796 4.640 -0.004 0.000 0.215 588 D C 1.425 177.720 176.300 -0.008 0.000 0.976 588 D CA 0.429 54.405 54.000 -0.040 0.000 0.884 588 D CB 0.305 41.122 40.800 0.028 0.000 0.915 588 D HN 0.326 nan 8.370 nan 0.000 0.526 589 L N -1.372 119.860 121.223 0.014 0.000 3.122 589 L HA 0.173 4.510 4.340 -0.004 0.000 0.296 589 L C -0.703 176.264 176.870 0.162 0.000 1.040 589 L CA 0.246 55.182 54.840 0.160 0.000 1.164 589 L CB 1.285 43.469 42.059 0.210 0.000 1.990 589 L HN -0.339 nan 8.230 nan 0.000 0.579 590 V N 2.740 122.657 119.914 0.006 0.000 2.483 590 V HA 0.483 4.601 4.120 -0.004 0.000 0.297 590 V C -2.377 173.541 176.094 -0.292 0.000 1.027 590 V CA -1.423 60.796 62.300 -0.135 0.000 0.855 590 V CB 1.763 33.574 31.823 -0.020 0.000 0.995 590 V HN -0.005 nan 8.190 nan 0.000 0.424 591 P HA 0.349 nan 4.420 nan 0.000 0.274 591 P C -0.910 176.243 177.300 -0.245 0.000 1.231 591 P CA -0.077 62.815 63.100 -0.348 0.000 0.790 591 P CB 1.353 32.828 31.700 -0.375 0.000 0.951 592 L N 1.784 122.920 121.223 -0.145 0.000 2.271 592 L HA 0.642 4.979 4.340 -0.004 0.000 0.265 592 L C 0.640 177.462 176.870 -0.081 0.000 1.013 592 L CA -0.978 53.804 54.840 -0.097 0.000 0.820 592 L CB 1.442 43.455 42.059 -0.075 0.000 1.352 592 L HN 0.338 nan 8.230 nan 0.000 0.443 593 M N 0.063 119.594 119.600 -0.115 0.000 2.779 593 M HA 0.504 4.982 4.480 -0.004 0.000 0.277 593 M C -1.294 174.932 176.300 -0.124 0.000 1.284 593 M CA -0.688 54.482 55.300 -0.217 0.000 0.801 593 M CB 3.256 35.646 32.600 -0.350 0.000 1.712 593 M HN 0.386 nan 8.290 nan 0.000 0.453 594 R N 1.233 121.652 120.500 -0.135 0.000 2.515 594 R HA 0.253 4.591 4.340 -0.004 0.000 0.291 594 R C -1.380 174.845 176.300 -0.125 0.000 1.046 594 R CA -0.568 55.477 56.100 -0.091 0.000 0.914 594 R CB 1.219 31.498 30.300 -0.034 0.000 1.191 594 R HN 0.780 nan 8.270 nan 0.000 0.435 595 D N 1.995 122.332 120.400 -0.104 0.000 2.356 595 D HA -0.107 4.530 4.640 -0.004 0.000 0.258 595 D C 0.561 176.816 176.300 -0.074 0.000 1.279 595 D CA -0.019 53.922 54.000 -0.098 0.000 1.016 595 D CB 0.664 41.416 40.800 -0.079 0.000 1.107 595 D HN 0.561 nan 8.370 nan 0.000 0.544 596 Q N -1.196 118.570 119.800 -0.056 0.000 2.297 596 Q HA -0.091 4.246 4.340 -0.004 0.000 0.204 596 Q C 1.077 177.069 176.000 -0.015 0.000 0.962 596 Q CA 0.905 56.689 55.803 -0.030 0.000 0.879 596 Q CB 0.129 28.855 28.738 -0.021 0.000 0.947 596 Q HN 0.516 nan 8.270 nan 0.000 0.462 597 E N -1.451 118.737 120.200 -0.021 0.000 2.463 597 E HA 0.101 4.449 4.350 -0.004 0.000 0.193 597 E C 0.502 177.093 176.600 -0.014 0.000 1.041 597 E CA 0.314 56.706 56.400 -0.013 0.000 0.879 597 E CB 0.702 30.393 29.700 -0.015 0.000 0.997 597 E HN 0.504 nan 8.360 nan 0.000 0.478 598 G N 2.437 111.225 108.800 -0.019 0.000 2.143 598 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.249 598 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.249 598 G C 0.136 175.018 174.900 -0.029 0.000 0.981 598 G CA -0.197 44.893 45.100 -0.017 0.000 0.665 598 G HN 0.182 nan 8.290 nan 0.000 0.528 599 R N 1.296 121.771 120.500 -0.041 0.000 2.442 599 R HA 0.377 4.715 4.340 -0.004 0.000 0.291 599 R C -2.275 173.989 176.300 -0.060 0.000 1.069 599 R CA -1.142 54.927 56.100 -0.053 0.000 1.022 599 R CB 0.634 30.900 30.300 -0.057 0.000 0.976 599 R HN 0.179 nan 8.270 nan 0.000 0.443 600 P HA 0.093 nan 4.420 nan 0.000 0.282 600 P C -0.768 176.489 177.300 -0.072 0.000 1.262 600 P CA -0.111 62.952 63.100 -0.062 0.000 0.773 600 P CB 1.155 32.821 31.700 -0.057 0.000 0.879 601 V N 3.761 123.628 119.914 -0.078 0.000 2.656 601 V HA 0.299 4.416 4.120 -0.004 0.000 0.307 601 V C 0.517 176.571 176.094 -0.067 0.000 1.051 601 V CA -0.499 61.755 62.300 -0.078 0.000 0.893 601 V CB 2.106 33.871 31.823 -0.096 0.000 0.999 601 V HN 0.445 nan 8.190 nan 0.000 0.426 602 T N 3.295 117.822 114.554 -0.045 0.000 2.916 602 T HA 0.063 4.411 4.350 -0.004 0.000 0.303 602 T C 1.051 175.779 174.700 0.046 0.000 1.025 602 T CA 0.077 62.162 62.100 -0.025 0.000 1.142 602 T CB 0.829 69.705 68.868 0.014 0.000 0.947 602 T HN 0.728 nan 8.240 nan 0.000 0.544 603 Q N 1.189 121.005 119.800 0.028 0.000 2.435 603 Q HA 0.048 4.386 4.340 -0.004 0.000 0.207 603 Q C -0.171 176.139 176.000 0.517 0.000 0.956 603 Q CA 0.705 56.694 55.803 0.309 0.000 0.917 603 Q CB 0.225 29.056 28.738 0.155 0.000 0.997 603 Q HN 0.711 nan 8.270 nan 0.000 0.497 604 Y N 1.408 121.883 120.300 0.291 0.000 2.376 604 Y HA 0.081 4.629 4.550 -0.004 0.000 0.325 604 Y C 0.880 176.940 175.900 0.266 0.000 1.199 604 Y CA -1.547 56.704 58.100 0.253 0.000 1.206 604 Y CB 0.758 39.302 38.460 0.140 0.000 1.229 604 Y HN 0.116 nan 8.280 nan 0.000 0.480 605 D N 1.135 121.810 120.400 0.457 0.000 2.433 605 D HA -0.005 4.633 4.640 -0.004 0.000 0.255 605 D C 1.173 177.556 176.300 0.139 0.000 1.226 605 D CA -0.342 53.830 54.000 0.287 0.000 1.015 605 D CB 0.844 41.848 40.800 0.340 0.000 1.091 605 D HN 0.499 nan 8.370 nan 0.000 0.527 606 M N 0.341 119.963 119.600 0.037 0.000 2.513 606 M HA -0.223 4.254 4.480 -0.004 0.000 0.256 606 M C 2.135 178.445 176.300 0.016 0.000 1.061 606 M CA 2.686 57.969 55.300 -0.028 0.000 1.065 606 M CB -1.753 30.801 32.600 -0.076 0.000 1.279 606 M HN 0.791 nan 8.290 nan 0.000 0.453 607 G N -1.419 107.401 108.800 0.033 0.000 2.394 607 G HA2 0.032 3.990 3.960 -0.004 0.000 0.214 607 G HA3 0.032 3.990 3.960 -0.004 0.000 0.214 607 G C 1.602 176.512 174.900 0.016 0.000 1.176 607 G CA 1.279 46.392 45.100 0.022 0.000 0.786 607 G HN 0.627 nan 8.290 nan 0.000 0.533 608 A N 0.277 123.111 122.820 0.023 0.000 1.892 608 A HA -0.023 4.294 4.320 -0.004 0.000 0.218 608 A C 2.619 180.203 177.584 -0.001 0.000 1.188 608 A CA 2.078 54.089 52.037 -0.043 0.000 0.631 608 A CB -0.797 18.139 19.000 -0.107 0.000 0.822 608 A HN 0.274 nan 8.150 nan 0.000 0.447 609 V N 0.045 120.016 119.914 0.096 0.000 2.295 609 V HA -0.267 3.851 4.120 -0.004 0.000 0.246 609 V C 2.449 178.580 176.094 0.062 0.000 1.049 609 V CA 2.277 64.652 62.300 0.126 0.000 1.024 609 V CB -0.813 31.085 31.823 0.126 0.000 0.648 609 V HN 0.620 nan 8.190 nan 0.000 0.447 610 E N 0.058 120.279 120.200 0.034 0.000 2.153 610 E HA -0.152 4.195 4.350 -0.004 0.000 0.194 610 E C 2.134 178.727 176.600 -0.011 0.000 0.988 610 E CA 1.205 57.613 56.400 0.014 0.000 0.811 610 E CB -0.226 29.477 29.700 0.006 0.000 0.746 610 E HN 0.591 nan 8.360 nan 0.000 0.466 611 A N 0.516 123.324 122.820 -0.020 0.000 2.235 611 A HA 0.003 4.320 4.320 -0.004 0.000 0.208 611 A C 1.762 179.311 177.584 -0.059 0.000 1.172 611 A CA 0.415 52.425 52.037 -0.044 0.000 0.786 611 A CB -0.121 18.853 19.000 -0.044 0.000 0.804 611 A HN 0.117 nan 8.150 nan 0.000 0.479 612 L N -0.946 120.257 121.223 -0.034 0.000 2.667 612 L HA 0.259 4.597 4.340 -0.004 0.000 0.232 612 L C 1.256 178.108 176.870 -0.030 0.000 1.138 612 L CA 0.320 55.146 54.840 -0.024 0.000 0.921 612 L CB -0.001 42.082 42.059 0.041 0.000 1.180 612 L HN 0.471 nan 8.230 nan 0.000 0.487 613 G N 1.594 110.359 108.800 -0.059 0.000 2.359 613 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.298 613 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.298 613 G C -0.365 174.551 174.900 0.027 0.000 1.030 613 G CA 0.033 45.083 45.100 -0.084 0.000 1.149 613 G HN 0.234 nan 8.290 nan 0.000 0.512 614 L N -0.010 121.247 121.223 0.058 0.000 2.342 614 L HA 0.592 4.929 4.340 -0.004 0.000 0.271 614 L C 0.488 177.415 176.870 0.095 0.000 1.008 614 L CA -1.529 53.362 54.840 0.085 0.000 0.818 614 L CB 1.735 43.842 42.059 0.080 0.000 1.296 614 L HN 0.215 nan 8.230 nan 0.000 0.427 615 L N 4.281 125.570 121.223 0.110 0.000 2.456 615 L HA 0.191 4.529 4.340 -0.004 0.000 0.277 615 L C -0.087 176.853 176.870 0.117 0.000 1.124 615 L CA 0.516 55.433 54.840 0.128 0.000 0.880 615 L CB -0.241 41.918 42.059 0.166 0.000 1.192 615 L HN 0.516 nan 8.230 nan 0.000 0.463 616 K N 7.125 127.596 120.400 0.118 0.000 2.292 616 K HA 0.551 4.868 4.320 -0.004 0.000 0.257 616 K C -1.224 175.476 176.600 0.168 0.000 0.940 616 K CA -0.667 55.686 56.287 0.110 0.000 0.811 616 K CB 1.089 33.627 32.500 0.063 0.000 1.120 616 K HN 0.674 nan 8.250 nan 0.000 0.428 617 M N 1.964 121.690 119.600 0.210 0.000 2.777 617 M HA 0.366 4.843 4.480 -0.004 0.000 0.307 617 M C -1.010 175.480 176.300 0.317 0.000 1.228 617 M CA -0.848 54.633 55.300 0.302 0.000 0.871 617 M CB 1.400 34.290 32.600 0.484 0.000 1.721 617 M HN 0.486 nan 8.290 nan 0.000 0.487 618 D N 1.022 121.621 120.400 0.332 0.000 2.502 618 D HA 0.534 5.172 4.640 -0.004 0.000 0.249 618 D C -1.536 175.054 176.300 0.484 0.000 1.092 618 D CA 0.013 54.233 54.000 0.368 0.000 0.839 618 D CB 1.111 42.056 40.800 0.241 0.000 1.264 618 D HN 0.201 nan 8.370 nan 0.000 0.511 619 F N 2.606 122.690 119.950 0.224 0.000 2.325 619 F HA 0.375 4.899 4.527 -0.004 0.000 0.369 619 F C -0.279 175.695 175.800 0.290 0.000 1.095 619 F CA -0.837 57.376 58.000 0.355 0.000 1.082 619 F CB 0.489 39.636 39.000 0.245 0.000 1.289 619 F HN 0.080 nan 8.300 nan 0.000 0.462 620 L N 2.495 123.958 121.223 0.400 0.000 2.312 620 L HA 0.591 4.929 4.340 -0.004 0.000 0.281 620 L C 0.818 177.853 176.870 0.276 0.000 1.070 620 L CA -0.206 54.801 54.840 0.279 0.000 0.805 620 L CB 1.227 43.411 42.059 0.207 0.000 1.174 620 L HN 0.666 nan 8.230 nan 0.000 0.434 621 G N 4.140 113.067 108.800 0.212 0.000 2.349 621 G HA2 0.476 4.433 3.960 -0.004 0.000 0.281 621 G HA3 0.476 4.433 3.960 -0.004 0.000 0.281 621 G C -0.886 174.089 174.900 0.124 0.000 1.182 621 G CA -0.321 44.884 45.100 0.174 0.000 0.899 621 G HN 0.509 nan 8.290 nan 0.000 0.455 622 L N 3.542 124.818 121.223 0.089 0.000 2.349 622 L HA 0.402 4.739 4.340 -0.004 0.000 0.278 622 L C 1.390 178.259 176.870 -0.002 0.000 0.996 622 L CA -1.201 53.653 54.840 0.023 0.000 0.825 622 L CB 1.934 43.951 42.059 -0.070 0.000 1.243 622 L HN 0.523 nan 8.230 nan 0.000 0.412 623 R N 1.151 121.659 120.500 0.013 0.000 2.080 623 R HA -0.138 4.200 4.340 -0.004 0.000 0.236 623 R C 1.556 177.846 176.300 -0.017 0.000 1.137 623 R CA 1.981 58.093 56.100 0.019 0.000 0.943 623 R CB -0.458 29.864 30.300 0.038 0.000 0.846 623 R HN 0.710 nan 8.270 nan 0.000 0.431 624 T N 2.043 116.522 114.554 -0.124 0.000 2.685 624 T HA -0.166 4.181 4.350 -0.004 0.000 0.268 624 T C 1.804 176.432 174.700 -0.120 0.000 1.034 624 T CA 1.203 63.191 62.100 -0.187 0.000 1.149 624 T CB -0.194 68.319 68.868 -0.591 0.000 0.860 624 T HN -0.016 nan 8.240 nan 0.000 0.449 625 L N 1.004 122.121 121.223 -0.176 0.000 1.989 625 L HA -0.093 4.245 4.340 -0.004 0.000 0.211 625 L C 2.854 179.699 176.870 -0.042 0.000 1.071 625 L CA 1.871 56.633 54.840 -0.130 0.000 0.749 625 L CB -1.671 40.320 42.059 -0.113 0.000 0.890 625 L HN 0.256 nan 8.230 nan 0.000 0.431 626 T N -0.745 113.813 114.554 0.007 0.000 2.737 626 T HA -0.260 4.088 4.350 -0.004 0.000 0.269 626 T C 1.697 176.415 174.700 0.031 0.000 1.040 626 T CA 1.678 63.797 62.100 0.033 0.000 1.142 626 T CB -0.471 68.432 68.868 0.058 0.000 0.861 626 T HN 0.284 nan 8.240 nan 0.000 0.456 627 F N 1.410 121.303 119.950 -0.096 0.000 2.146 627 F HA 0.086 4.611 4.527 -0.004 0.000 0.298 627 F C 1.797 177.533 175.800 -0.105 0.000 1.096 627 F CA 0.979 58.904 58.000 -0.125 0.000 1.275 627 F CB -0.375 38.527 39.000 -0.163 0.000 1.008 627 F HN 0.034 nan 8.300 nan 0.000 0.480 628 L N 0.059 121.201 121.223 -0.133 0.000 2.362 628 L HA -0.163 4.174 4.340 -0.004 0.000 0.219 628 L C 1.835 178.672 176.870 -0.056 0.000 1.134 628 L CA 0.772 55.487 54.840 -0.207 0.000 0.807 628 L CB -0.717 41.111 42.059 -0.386 0.000 0.927 628 L HN 0.119 nan 8.230 nan 0.000 0.447 629 D N -0.147 120.209 120.400 -0.073 0.000 2.091 629 D HA -0.141 4.497 4.640 -0.004 0.000 0.199 629 D C 2.152 178.398 176.300 -0.090 0.000 0.980 629 D CA 0.944 54.927 54.000 -0.028 0.000 0.831 629 D CB -0.024 40.766 40.800 -0.016 0.000 0.987 629 D HN 0.202 nan 8.370 nan 0.000 0.460 630 E N 0.950 121.054 120.200 -0.161 0.000 2.118 630 E HA -0.140 4.207 4.350 -0.004 0.000 0.195 630 E C 2.043 178.495 176.600 -0.247 0.000 0.992 630 E CA 0.774 57.064 56.400 -0.183 0.000 0.804 630 E CB -0.193 29.392 29.700 -0.191 0.000 0.741 630 E HN 0.190 nan 8.360 nan 0.000 0.458 631 A N 1.823 124.410 122.820 -0.388 0.000 1.865 631 A HA -0.230 4.087 4.320 -0.004 0.000 0.217 631 A C 2.249 179.733 177.584 -0.167 0.000 1.191 631 A CA 1.798 53.640 52.037 -0.326 0.000 0.623 631 A CB -0.605 18.165 19.000 -0.383 0.000 0.826 631 A HN 0.123 nan 8.150 nan 0.000 0.444 632 R N -0.460 119.981 120.500 -0.099 0.000 2.091 632 R HA -0.187 4.151 4.340 -0.004 0.000 0.238 632 R C 2.521 178.732 176.300 -0.148 0.000 1.136 632 R CA 1.791 57.803 56.100 -0.147 0.000 0.959 632 R CB -0.338 29.886 30.300 -0.128 0.000 0.856 632 R HN 0.621 nan 8.270 nan 0.000 0.437 633 R N 0.536 120.968 120.500 -0.113 0.000 2.070 633 R HA -0.132 4.206 4.340 -0.004 0.000 0.233 633 R C 2.271 178.515 176.300 -0.094 0.000 1.137 633 R CA 1.869 57.914 56.100 -0.092 0.000 0.945 633 R CB -0.383 29.877 30.300 -0.067 0.000 0.845 633 R HN 0.273 nan 8.270 nan 0.000 0.430 634 I N 0.520 121.027 120.570 -0.105 0.000 2.252 634 I HA -0.236 3.932 4.170 -0.004 0.000 0.245 634 I C 2.428 178.480 176.117 -0.108 0.000 1.102 634 I CA 0.822 62.070 61.300 -0.087 0.000 1.385 634 I CB -0.167 37.782 38.000 -0.086 0.000 1.064 634 I HN 0.050 nan 8.210 nan 0.000 0.414 635 V N 1.043 120.854 119.914 -0.172 0.000 2.282 635 V HA -0.363 3.755 4.120 -0.004 0.000 0.249 635 V C 2.600 178.569 176.094 -0.208 0.000 1.057 635 V CA 1.983 64.121 62.300 -0.270 0.000 1.032 635 V CB -0.640 30.905 31.823 -0.463 0.000 0.645 635 V HN 0.406 nan 8.190 nan 0.000 0.447 636 K N -0.291 120.006 120.400 -0.171 0.000 2.020 636 K HA -0.282 4.035 4.320 -0.004 0.000 0.212 636 K C 2.278 178.829 176.600 -0.082 0.000 1.050 636 K CA 2.292 58.505 56.287 -0.124 0.000 0.929 636 K CB -0.256 32.180 32.500 -0.108 0.000 0.714 636 K HN 0.578 nan 8.250 nan 0.000 0.443 637 E N -0.171 119.989 120.200 -0.066 0.000 2.150 637 E HA -0.147 4.200 4.350 -0.004 0.000 0.193 637 E C 1.922 178.506 176.600 -0.027 0.000 0.985 637 E CA 0.951 57.328 56.400 -0.037 0.000 0.814 637 E CB 0.043 29.729 29.700 -0.023 0.000 0.752 637 E HN 0.184 nan 8.360 nan 0.000 0.466 638 S N 0.271 115.949 115.700 -0.037 0.000 2.345 638 S HA -0.075 4.393 4.470 -0.004 0.000 0.219 638 S C 1.398 175.996 174.600 -0.004 0.000 1.031 638 S CA 1.410 59.602 58.200 -0.014 0.000 0.984 638 S CB 0.082 63.275 63.200 -0.011 0.000 0.874 638 S HN 0.317 nan 8.310 nan 0.000 0.451 639 K N -1.115 119.272 120.400 -0.022 0.000 2.564 639 K HA 0.405 4.722 4.320 -0.004 0.000 0.201 639 K C 0.886 177.478 176.600 -0.012 0.000 1.086 639 K CA 0.453 56.742 56.287 0.004 0.000 1.062 639 K CB 0.389 32.924 32.500 0.058 0.000 0.849 639 K HN 0.393 nan 8.250 nan 0.000 0.529 640 G N 1.310 110.087 108.800 -0.038 0.000 2.189 640 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.267 640 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.267 640 G C 0.217 175.084 174.900 -0.054 0.000 0.975 640 G CA 0.335 45.411 45.100 -0.040 0.000 0.644 640 G HN 0.188 nan 8.290 nan 0.000 0.537 641 V N 1.144 121.011 119.914 -0.078 0.000 2.508 641 V HA 0.362 4.479 4.120 -0.004 0.000 0.281 641 V C 0.463 176.475 176.094 -0.136 0.000 1.041 641 V CA -0.427 61.819 62.300 -0.090 0.000 1.016 641 V CB 1.644 33.408 31.823 -0.099 0.000 0.984 641 V HN 0.250 nan 8.190 nan 0.000 0.478 642 E N 4.618 124.751 120.200 -0.112 0.000 1.963 642 E HA 0.287 4.634 4.350 -0.004 0.000 0.274 642 E C -0.443 176.050 176.600 -0.179 0.000 1.061 642 E CA -0.251 56.066 56.400 -0.139 0.000 0.847 642 E CB 1.191 30.828 29.700 -0.105 0.000 1.083 642 E HN 0.548 nan 8.360 nan 0.000 0.402 643 L N 3.458 124.520 121.223 -0.268 0.000 2.515 643 L HA 0.014 4.351 4.340 -0.004 0.000 0.281 643 L C 0.582 177.159 176.870 -0.489 0.000 1.131 643 L CA 0.071 54.675 54.840 -0.393 0.000 0.905 643 L CB 0.212 41.943 42.059 -0.545 0.000 1.246 643 L HN 0.217 nan 8.230 nan 0.000 0.463 644 D N 3.231 123.431 120.400 -0.333 0.000 2.518 644 D HA 0.057 4.694 4.640 -0.004 0.000 0.230 644 D C 0.968 177.153 176.300 -0.193 0.000 1.138 644 D CA -0.296 53.560 54.000 -0.241 0.000 0.964 644 D CB 0.309 41.030 40.800 -0.132 0.000 1.011 644 D HN 0.348 nan 8.370 nan 0.000 0.517 645 Y N 0.712 120.969 120.300 -0.070 0.000 2.173 645 Y HA -0.244 4.304 4.550 -0.004 0.000 0.282 645 Y C 1.525 177.391 175.900 -0.057 0.000 1.192 645 Y CA 1.017 59.073 58.100 -0.073 0.000 1.176 645 Y CB 0.149 38.577 38.460 -0.054 0.000 0.969 645 Y HN 0.307 nan 8.280 nan 0.000 0.519 646 D N -0.506 119.952 120.400 0.097 0.000 2.323 646 D HA 0.026 4.663 4.640 -0.004 0.000 0.239 646 D C 1.117 177.428 176.300 0.018 0.000 1.129 646 D CA 0.534 54.565 54.000 0.051 0.000 0.865 646 D CB 0.011 40.826 40.800 0.025 0.000 0.913 646 D HN 0.388 nan 8.370 nan 0.000 0.517 647 R N -0.283 120.217 120.500 0.000 0.000 2.538 647 R HA 0.239 4.577 4.340 -0.004 0.000 0.372 647 R C 0.077 176.367 176.300 -0.017 0.000 0.950 647 R CA -0.240 55.852 56.100 -0.014 0.000 1.168 647 R CB 1.058 31.339 30.300 -0.032 0.000 1.542 647 R HN 0.060 nan 8.270 nan 0.000 0.536 648 L N 3.493 124.701 121.223 -0.024 0.000 2.397 648 L HA 0.258 4.595 4.340 -0.004 0.000 0.271 648 L C -1.758 175.131 176.870 0.031 0.000 1.148 648 L CA -1.617 53.189 54.840 -0.057 0.000 0.825 648 L CB 0.445 42.397 42.059 -0.178 0.000 1.117 648 L HN -0.157 nan 8.230 nan 0.000 0.456 649 P HA 0.076 nan 4.420 nan 0.000 0.271 649 P C 0.014 177.437 177.300 0.206 0.000 1.216 649 P CA -0.162 63.018 63.100 0.133 0.000 0.776 649 P CB 0.860 32.657 31.700 0.161 0.000 0.881 650 L N 1.607 122.890 121.223 0.099 0.000 2.700 650 L HA 0.126 4.463 4.340 -0.004 0.000 0.234 650 L C 0.713 177.681 176.870 0.163 0.000 1.156 650 L CA 0.297 55.070 54.840 -0.112 0.000 0.946 650 L CB -0.288 41.697 42.059 -0.123 0.000 1.216 650 L HN 0.392 nan 8.230 nan 0.000 0.493 651 D N -1.873 118.728 120.400 0.335 0.000 2.720 651 D HA 0.023 4.661 4.640 -0.004 0.000 0.285 651 D C -0.002 176.586 176.300 0.479 0.000 1.359 651 D CA -0.386 53.871 54.000 0.428 0.000 0.818 651 D CB -0.037 40.898 40.800 0.224 0.000 1.108 651 D HN 0.023 nan 8.370 nan 0.000 0.474 652 D N 2.040 122.784 120.400 0.573 0.000 2.358 652 D HA 0.072 4.709 4.640 -0.004 0.000 0.258 652 D C -0.990 175.557 176.300 0.412 0.000 1.223 652 D CA -1.491 52.777 54.000 0.446 0.000 0.886 652 D CB 1.733 42.830 40.800 0.494 0.000 1.120 652 D HN -0.105 nan 8.370 nan 0.000 0.482 653 P HA -0.206 nan 4.420 nan 0.000 0.214 653 P C 0.888 178.285 177.300 0.162 0.000 1.163 653 P CA 1.297 64.556 63.100 0.265 0.000 0.883 653 P CB 0.171 31.971 31.700 0.167 0.000 0.788 654 K N -0.885 119.539 120.400 0.041 0.000 2.281 654 K HA -0.064 4.254 4.320 -0.004 0.000 0.203 654 K C 2.092 178.552 176.600 -0.233 0.000 1.046 654 K CA 1.378 57.578 56.287 -0.145 0.000 0.938 654 K CB -0.509 31.780 32.500 -0.351 0.000 0.737 654 K HN 0.198 nan 8.250 nan 0.000 0.458 655 T N 0.605 115.035 114.554 -0.208 0.000 2.732 655 T HA -0.057 4.290 4.350 -0.004 0.000 0.261 655 T C 1.537 176.071 174.700 -0.275 0.000 1.040 655 T CA 1.146 63.034 62.100 -0.353 0.000 1.145 655 T CB -0.256 68.284 68.868 -0.547 0.000 0.866 655 T HN 0.131 nan 8.240 nan 0.000 0.427 656 F N 1.575 121.566 119.950 0.068 0.000 2.186 656 F HA -0.010 4.515 4.527 -0.004 0.000 0.299 656 F C 2.498 178.324 175.800 0.043 0.000 1.090 656 F CA 0.838 58.893 58.000 0.093 0.000 1.307 656 F CB -0.379 38.714 39.000 0.154 0.000 1.019 656 F HN 0.207 nan 8.300 nan 0.000 0.489 657 E N 0.445 120.745 120.200 0.167 0.000 2.153 657 E HA -0.233 4.114 4.350 -0.004 0.000 0.194 657 E C 2.146 178.753 176.600 0.012 0.000 0.988 657 E CA 1.189 57.635 56.400 0.078 0.000 0.811 657 E CB -0.272 29.447 29.700 0.032 0.000 0.746 657 E HN 0.449 nan 8.360 nan 0.000 0.466 658 L N 0.522 121.715 121.223 -0.050 0.000 2.072 658 L HA -0.127 4.210 4.340 -0.004 0.000 0.205 658 L C 2.051 178.887 176.870 -0.057 0.000 1.079 658 L CA 1.041 55.825 54.840 -0.093 0.000 0.752 658 L CB 0.000 41.950 42.059 -0.182 0.000 0.906 658 L HN 0.106 nan 8.230 nan 0.000 0.436 659 L N -0.794 120.413 121.223 -0.027 0.000 2.046 659 L HA -0.171 4.167 4.340 -0.004 0.000 0.208 659 L C 2.599 179.492 176.870 0.039 0.000 1.077 659 L CA 1.224 56.069 54.840 0.009 0.000 0.747 659 L CB -0.662 41.434 42.059 0.061 0.000 0.896 659 L HN 0.197 nan 8.230 nan 0.000 0.432 660 S N -0.504 115.243 115.700 0.079 0.000 2.399 660 S HA -0.151 4.316 4.470 -0.004 0.000 0.231 660 S C 2.021 176.647 174.600 0.043 0.000 1.022 660 S CA 1.117 59.366 58.200 0.082 0.000 0.983 660 S CB -0.222 63.047 63.200 0.115 0.000 0.803 660 S HN 0.326 nan 8.310 nan 0.000 0.480 661 R N 0.187 120.697 120.500 0.017 0.000 2.280 661 R HA 0.056 4.393 4.340 -0.004 0.000 0.207 661 R C 1.351 177.646 176.300 -0.009 0.000 1.043 661 R CA 0.517 56.617 56.100 -0.000 0.000 1.006 661 R CB -0.184 30.104 30.300 -0.019 0.000 0.885 661 R HN 0.475 nan 8.270 nan 0.000 0.467 662 G N 1.470 110.263 108.800 -0.013 0.000 2.176 662 G HA2 -0.283 3.674 3.960 -0.004 0.000 0.252 662 G HA3 -0.283 3.674 3.960 -0.004 0.000 0.252 662 G C -0.286 174.593 174.900 -0.035 0.000 1.024 662 G CA 0.101 45.186 45.100 -0.025 0.000 0.755 662 G HN 0.447 nan 8.290 nan 0.000 0.507 663 E N 0.834 121.006 120.200 -0.047 0.000 2.325 663 E HA 0.239 4.586 4.350 -0.004 0.000 0.295 663 E C 1.553 178.110 176.600 -0.071 0.000 1.461 663 E CA 0.394 56.759 56.400 -0.059 0.000 1.698 663 E CB -0.125 29.527 29.700 -0.080 0.000 1.496 663 E HN 0.492 nan 8.360 nan 0.000 0.474 664 T N -2.309 112.214 114.554 -0.051 0.000 3.272 664 T HA 0.048 4.396 4.350 -0.004 0.000 0.250 664 T C 1.219 175.911 174.700 -0.012 0.000 1.082 664 T CA -0.278 61.794 62.100 -0.046 0.000 0.968 664 T CB -0.013 68.822 68.868 -0.054 0.000 1.015 664 T HN 0.123 nan 8.240 nan 0.000 0.563 665 K N 1.499 121.903 120.400 0.005 0.000 2.077 665 K HA -0.070 4.248 4.320 -0.004 0.000 0.213 665 K C 1.957 178.615 176.600 0.095 0.000 1.051 665 K CA 1.709 58.027 56.287 0.052 0.000 0.929 665 K CB -0.380 32.164 32.500 0.075 0.000 0.715 665 K HN 0.488 nan 8.250 nan 0.000 0.451 666 G N 0.380 109.279 108.800 0.164 0.000 3.863 666 G HA2 0.264 4.221 3.960 -0.004 0.000 0.290 666 G HA3 0.264 4.221 3.960 -0.004 0.000 0.290 666 G C -0.594 174.399 174.900 0.155 0.000 1.018 666 G CA -0.434 44.767 45.100 0.169 0.000 0.824 666 G HN -0.022 nan 8.290 nan 0.000 0.507 667 V N 1.948 121.922 119.914 0.100 0.000 2.364 667 V HA 0.328 4.445 4.120 -0.004 0.000 0.272 667 V C 0.148 176.296 176.094 0.090 0.000 1.036 667 V CA -1.225 61.130 62.300 0.092 0.000 0.880 667 V CB 0.608 32.444 31.823 0.021 0.000 0.991 667 V HN 0.324 nan 8.190 nan 0.000 0.460 668 F N 4.644 124.582 119.950 -0.021 0.000 2.635 668 F HA 0.084 4.608 4.527 -0.005 0.000 0.379 668 F C 1.317 177.117 175.800 0.000 0.000 1.094 668 F CA 1.253 59.239 58.000 -0.023 0.000 1.300 668 F CB 0.054 39.035 39.000 -0.031 0.000 1.035 668 F HN 0.836 nan 8.300 nan 0.000 0.581 669 Q N 1.813 121.150 119.800 -0.771 0.000 3.505 669 Q HA -0.274 4.064 4.340 -0.004 0.000 0.190 669 Q C -0.344 175.465 176.000 -0.318 0.000 1.642 669 Q CA 1.904 57.270 55.803 -0.728 0.000 0.959 669 Q CB -1.235 27.005 28.738 -0.830 0.000 0.844 669 Q HN 0.756 nan 8.270 nan 0.000 0.983 670 L N -1.406 119.689 121.223 -0.213 0.000 2.784 670 L HA 0.507 4.844 4.340 -0.004 0.000 0.241 670 L C 0.148 176.941 176.870 -0.129 0.000 1.352 670 L CA -0.027 54.709 54.840 -0.172 0.000 0.911 670 L CB 0.897 42.860 42.059 -0.160 0.000 1.227 670 L HN 0.091 nan 8.230 nan 0.000 0.501 671 E N -0.477 119.658 120.200 -0.108 0.000 2.511 671 E HA 0.190 4.538 4.350 -0.004 0.000 0.209 671 E C 0.007 176.569 176.600 -0.064 0.000 0.986 671 E CA -0.163 56.197 56.400 -0.067 0.000 0.974 671 E CB 0.734 30.414 29.700 -0.034 0.000 1.030 671 E HN 0.652 nan 8.360 nan 0.000 0.490 672 S N 0.582 116.232 115.700 -0.084 0.000 2.568 672 S HA 0.090 4.558 4.470 -0.004 0.000 0.282 672 S C 1.439 175.998 174.600 -0.068 0.000 1.338 672 S CA -0.005 58.161 58.200 -0.057 0.000 1.045 672 S CB 1.219 64.399 63.200 -0.034 0.000 0.873 672 S HN 0.345 nan 8.310 nan 0.000 0.516 673 G N 2.349 111.129 108.800 -0.033 0.000 2.553 673 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.218 673 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.218 673 G C 1.441 176.315 174.900 -0.043 0.000 1.195 673 G CA 0.838 45.920 45.100 -0.030 0.000 0.779 673 G HN 0.842 nan 8.290 nan 0.000 0.577 674 G N 0.350 109.147 108.800 -0.005 0.000 2.421 674 G HA2 -0.203 3.754 3.960 -0.004 0.000 0.216 674 G HA3 -0.203 3.754 3.960 -0.004 0.000 0.216 674 G C 1.800 176.581 174.900 -0.199 0.000 1.171 674 G CA 1.585 46.703 45.100 0.030 0.000 0.775 674 G HN 0.424 nan 8.290 nan 0.000 0.543 675 M N 1.133 120.454 119.600 -0.466 0.000 2.080 675 M HA -0.055 4.422 4.480 -0.004 0.000 0.260 675 M C 2.508 178.582 176.300 -0.377 0.000 1.068 675 M CA 2.260 57.097 55.300 -0.771 0.000 1.109 675 M CB -0.972 31.241 32.600 -0.645 0.000 1.342 675 M HN 0.142 nan 8.290 nan 0.000 0.405 676 T N 0.754 115.177 114.554 -0.220 0.000 2.684 676 T HA -0.151 4.196 4.350 -0.004 0.000 0.267 676 T C 1.812 176.450 174.700 -0.104 0.000 1.036 676 T CA 1.893 63.914 62.100 -0.132 0.000 1.148 676 T CB -0.817 68.001 68.868 -0.084 0.000 0.863 676 T HN 0.602 nan 8.240 nan 0.000 0.436 677 A N 1.245 124.009 122.820 -0.092 0.000 1.883 677 A HA -0.155 4.163 4.320 -0.004 0.000 0.217 677 A C 2.570 180.119 177.584 -0.057 0.000 1.186 677 A CA 2.246 54.251 52.037 -0.055 0.000 0.624 677 A CB -1.305 17.675 19.000 -0.033 0.000 0.822 677 A HN 0.503 nan 8.150 nan 0.000 0.444 678 T N -0.144 114.347 114.554 -0.105 0.000 2.746 678 T HA -0.120 4.227 4.350 -0.004 0.000 0.267 678 T C 1.870 176.517 174.700 -0.087 0.000 1.039 678 T CA 1.632 63.675 62.100 -0.094 0.000 1.142 678 T CB -0.489 68.286 68.868 -0.155 0.000 0.866 678 T HN 0.203 nan 8.240 nan 0.000 0.444 679 V N 1.301 121.148 119.914 -0.111 0.000 2.358 679 V HA -0.135 3.982 4.120 -0.004 0.000 0.246 679 V C 2.619 178.707 176.094 -0.009 0.000 1.047 679 V CA 1.451 63.712 62.300 -0.065 0.000 1.035 679 V CB -0.614 31.168 31.823 -0.068 0.000 0.658 679 V HN 0.344 nan 8.190 nan 0.000 0.452 680 R N 0.195 120.690 120.500 -0.009 0.000 2.127 680 R HA -0.135 4.202 4.340 -0.004 0.000 0.238 680 R C 2.395 178.728 176.300 0.056 0.000 1.134 680 R CA 1.550 57.664 56.100 0.022 0.000 0.975 680 R CB -0.656 29.650 30.300 0.009 0.000 0.865 680 R HN 0.621 nan 8.270 nan 0.000 0.447 681 G N 0.702 109.529 108.800 0.045 0.000 2.394 681 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.214 681 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.214 681 G C 1.273 176.247 174.900 0.125 0.000 1.176 681 G CA 0.099 45.252 45.100 0.087 0.000 0.786 681 G HN 0.200 nan 8.290 nan 0.000 0.533 682 L N -0.011 121.231 121.223 0.032 0.000 2.056 682 L HA 0.164 4.501 4.340 -0.004 0.000 0.207 682 L C 0.892 177.818 176.870 0.093 0.000 1.078 682 L CA 1.198 56.016 54.840 -0.038 0.000 0.749 682 L CB -0.273 41.720 42.059 -0.109 0.000 0.901 682 L HN 0.133 nan 8.230 nan 0.000 0.433 683 K N 0.101 120.582 120.400 0.135 0.000 3.939 683 K HA -0.115 4.202 4.320 -0.004 0.000 0.281 683 K C -2.239 174.493 176.600 0.221 0.000 0.981 683 K CA 0.626 57.034 56.287 0.201 0.000 0.833 683 K CB -2.010 30.661 32.500 0.285 0.000 1.501 683 K HN 0.375 nan 8.250 nan 0.000 0.445 684 P HA 0.063 nan 4.420 nan 0.000 0.271 684 P C 0.192 177.557 177.300 0.108 0.000 1.218 684 P CA 0.040 63.206 63.100 0.111 0.000 0.780 684 P CB 0.595 32.393 31.700 0.163 0.000 0.901 685 R N 1.367 121.826 120.500 -0.068 0.000 2.369 685 R HA 0.163 4.500 4.340 -0.004 0.000 0.210 685 R C 0.921 176.628 176.300 -0.988 0.000 0.881 685 R CA 0.056 55.962 56.100 -0.323 0.000 1.031 685 R CB 0.487 30.773 30.300 -0.023 0.000 1.184 685 R HN 0.577 nan 8.270 nan 0.000 0.581 686 R N -0.407 119.608 120.500 -0.809 0.000 2.855 686 R HA 0.260 4.598 4.340 -0.004 0.000 0.266 686 R C 0.398 176.560 176.300 -0.229 0.000 1.034 686 R CA -0.827 54.884 56.100 -0.649 0.000 0.944 686 R CB 0.837 31.045 30.300 -0.155 0.000 1.219 686 R HN -0.138 nan 8.270 nan 0.000 0.474 687 L N 1.153 122.477 121.223 0.168 0.000 2.079 687 L HA -0.116 4.222 4.340 -0.004 0.000 0.210 687 L C 1.631 178.620 176.870 0.199 0.000 1.081 687 L CA 1.982 57.006 54.840 0.307 0.000 0.752 687 L CB -0.454 41.716 42.059 0.185 0.000 0.896 687 L HN 0.790 nan 8.230 nan 0.000 0.433 688 E N -0.203 120.110 120.200 0.189 0.000 2.209 688 E HA -0.205 4.143 4.350 -0.004 0.000 0.196 688 E C 1.801 178.531 176.600 0.217 0.000 0.993 688 E CA 1.245 57.770 56.400 0.209 0.000 0.819 688 E CB -0.238 29.598 29.700 0.228 0.000 0.745 688 E HN 0.565 nan 8.360 nan 0.000 0.477 689 D N -0.029 120.481 120.400 0.182 0.000 2.117 689 D HA -0.109 4.528 4.640 -0.004 0.000 0.198 689 D C 1.956 178.295 176.300 0.066 0.000 0.982 689 D CA 0.818 54.904 54.000 0.143 0.000 0.828 689 D CB -0.110 40.727 40.800 0.063 0.000 0.967 689 D HN 0.237 nan 8.370 nan 0.000 0.464 690 I N 1.127 121.772 120.570 0.126 0.000 2.179 690 I HA -0.234 3.933 4.170 -0.004 0.000 0.242 690 I C 2.457 178.601 176.117 0.045 0.000 1.088 690 I CA 0.737 62.092 61.300 0.091 0.000 1.357 690 I CB -0.204 37.896 38.000 0.167 0.000 1.051 690 I HN -0.054 nan 8.210 nan 0.000 0.409 691 I N 0.951 121.569 120.570 0.080 0.000 2.118 691 I HA -0.340 3.827 4.170 -0.004 0.000 0.241 691 I C 2.779 178.997 176.117 0.169 0.000 1.070 691 I CA 1.695 63.053 61.300 0.098 0.000 1.327 691 I CB -0.736 37.311 38.000 0.078 0.000 1.034 691 I HN 0.209 nan 8.210 nan 0.000 0.405 692 A N 0.546 123.464 122.820 0.164 0.000 1.929 692 A HA -0.142 4.176 4.320 -0.004 0.000 0.216 692 A C 2.242 179.699 177.584 -0.211 0.000 1.176 692 A CA 1.191 53.230 52.037 0.004 0.000 0.628 692 A CB -0.632 18.344 19.000 -0.041 0.000 0.816 692 A HN 0.372 nan 8.150 nan 0.000 0.444 693 L N -0.123 120.966 121.223 -0.224 0.000 2.027 693 L HA -0.078 4.259 4.340 -0.004 0.000 0.206 693 L C 2.365 179.148 176.870 -0.145 0.000 1.074 693 L CA 1.802 56.501 54.840 -0.236 0.000 0.745 693 L CB -0.480 41.460 42.059 -0.199 0.000 0.898 693 L HN 0.148 nan 8.230 nan 0.000 0.433 694 V N -1.088 118.751 119.914 -0.125 0.000 2.515 694 V HA -0.216 3.901 4.120 -0.004 0.000 0.250 694 V C 2.507 178.444 176.094 -0.262 0.000 1.058 694 V CA 1.719 63.931 62.300 -0.147 0.000 1.064 694 V CB -0.528 31.219 31.823 -0.126 0.000 0.675 694 V HN 0.474 nan 8.190 nan 0.000 0.461 695 S N -0.005 115.524 115.700 -0.285 0.000 2.387 695 S HA -0.002 4.465 4.470 -0.004 0.000 0.226 695 S C 1.808 176.208 174.600 -0.332 0.000 1.026 695 S CA 1.273 59.162 58.200 -0.520 0.000 0.972 695 S CB -0.177 62.956 63.200 -0.113 0.000 0.814 695 S HN 0.476 nan 8.310 nan 0.000 0.477 696 L N -0.804 120.312 121.223 -0.179 0.000 2.375 696 L HA 0.182 4.519 4.340 -0.004 0.000 0.215 696 L C 0.556 177.376 176.870 -0.083 0.000 1.108 696 L CA 0.332 55.111 54.840 -0.101 0.000 0.830 696 L CB -0.129 41.875 42.059 -0.091 0.000 0.959 696 L HN 0.268 nan 8.230 nan 0.000 0.457 697 Y N 3.487 123.678 120.300 -0.182 0.000 2.573 697 Y HA 0.238 4.785 4.550 -0.004 0.000 0.346 697 Y C 0.386 176.206 175.900 -0.133 0.000 1.198 697 Y CA -0.521 57.489 58.100 -0.149 0.000 1.627 697 Y CB -0.500 37.873 38.460 -0.145 0.000 1.457 697 Y HN 0.119 nan 8.280 nan 0.000 0.483 698 R N 4.230 124.519 120.500 -0.352 0.000 2.739 698 R HA 0.352 4.689 4.340 -0.004 0.000 0.266 698 R C -3.471 172.674 176.300 -0.258 0.000 1.044 698 R CA -2.024 53.918 56.100 -0.262 0.000 0.885 698 R CB 0.482 30.728 30.300 -0.090 0.000 1.260 698 R HN 0.132 nan 8.270 nan 0.000 0.477 699 P HA -0.001 nan 4.420 nan 0.000 0.260 699 P C 0.529 177.733 177.300 -0.160 0.000 1.172 699 P CA 1.797 64.790 63.100 -0.179 0.000 0.760 699 P CB 0.840 32.471 31.700 -0.116 0.000 0.773 700 G N 5.118 113.739 108.800 -0.298 0.000 3.405 700 G HA2 -0.169 3.788 3.960 -0.004 0.000 0.246 700 G HA3 -0.169 3.788 3.960 -0.004 0.000 0.246 700 G C -1.757 172.724 174.900 -0.698 0.000 1.852 700 G CA 0.096 44.823 45.100 -0.621 0.000 1.510 700 G HN 0.388 nan 8.290 nan 0.000 0.570 701 P HA -0.022 nan 4.420 nan 0.000 0.225 701 P C 1.924 179.080 177.300 -0.240 0.000 1.148 701 P CA 1.743 64.687 63.100 -0.260 0.000 0.779 701 P CB -0.225 31.473 31.700 -0.004 0.000 0.780 702 M N 1.923 121.356 119.600 -0.277 0.000 2.146 702 M HA -0.275 4.202 4.480 -0.004 0.000 0.251 702 M C 1.959 178.135 176.300 -0.207 0.000 1.083 702 M CA 2.473 57.614 55.300 -0.265 0.000 1.076 702 M CB -0.926 31.468 32.600 -0.342 0.000 1.332 702 M HN 0.028 nan 8.290 nan 0.000 0.400 703 E N -2.042 117.984 120.200 -0.289 0.000 2.204 703 E HA -0.242 4.106 4.350 -0.004 0.000 0.195 703 E C 1.415 177.907 176.600 -0.180 0.000 0.990 703 E CA 1.466 57.709 56.400 -0.261 0.000 0.821 703 E CB -0.791 28.704 29.700 -0.342 0.000 0.750 703 E HN 0.676 nan 8.360 nan 0.000 0.477 704 H N 0.358 119.413 119.070 -0.024 0.000 2.555 704 H HA 0.111 4.665 4.556 -0.004 0.000 0.269 704 H C 1.893 177.258 175.328 0.061 0.000 0.988 704 H CA 0.696 56.772 56.048 0.048 0.000 1.178 704 H CB 0.027 29.853 29.762 0.106 0.000 1.373 704 H HN 0.317 nan 8.280 nan 0.000 0.588 705 I N 0.834 121.464 120.570 0.100 0.000 2.286 705 I HA -0.125 4.043 4.170 -0.004 0.000 0.245 705 I C -0.526 175.642 176.117 0.085 0.000 1.104 705 I CA 0.580 61.920 61.300 0.068 0.000 1.397 705 I CB -1.195 36.811 38.000 0.009 0.000 1.072 705 I HN 0.132 nan 8.210 nan 0.000 0.417 706 P HA -0.151 nan 4.420 nan 0.000 0.215 706 P C 1.596 178.926 177.300 0.049 0.000 1.153 706 P CA 1.753 64.878 63.100 0.041 0.000 0.853 706 P CB -0.239 31.476 31.700 0.026 0.000 0.788 707 T N -1.684 112.917 114.554 0.080 0.000 2.684 707 T HA -0.252 4.095 4.350 -0.004 0.000 0.267 707 T C 1.673 176.395 174.700 0.037 0.000 1.036 707 T CA 1.384 63.525 62.100 0.067 0.000 1.148 707 T CB -1.478 67.460 68.868 0.116 0.000 0.863 707 T HN 0.090 nan 8.240 nan 0.000 0.436 708 Y N 1.637 121.914 120.300 -0.038 0.000 2.114 708 Y HA -0.194 4.353 4.550 -0.004 0.000 0.282 708 Y C 2.156 177.913 175.900 -0.239 0.000 1.165 708 Y CA 1.221 59.263 58.100 -0.096 0.000 1.148 708 Y CB -0.429 38.008 38.460 -0.038 0.000 0.972 708 Y HN 0.151 nan 8.280 nan 0.000 0.504 709 I N -0.317 120.274 120.570 0.035 0.000 2.142 709 I HA -0.324 3.843 4.170 -0.004 0.000 0.240 709 I C 2.539 178.498 176.117 -0.264 0.000 1.078 709 I CA 1.514 62.721 61.300 -0.155 0.000 1.343 709 I CB -0.428 37.501 38.000 -0.119 0.000 1.046 709 I HN 0.131 nan 8.210 nan 0.000 0.405 710 R N 0.346 120.772 120.500 -0.123 0.000 2.096 710 R HA -0.122 4.215 4.340 -0.004 0.000 0.235 710 R C 2.455 178.679 176.300 -0.128 0.000 1.127 710 R CA 1.241 57.304 56.100 -0.061 0.000 0.968 710 R CB -0.171 30.119 30.300 -0.016 0.000 0.861 710 R HN 0.363 nan 8.270 nan 0.000 0.440 711 R N -1.285 119.064 120.500 -0.252 0.000 2.073 711 R HA -0.115 4.222 4.340 -0.004 0.000 0.229 711 R C 2.138 178.038 176.300 -0.667 0.000 1.120 711 R CA 1.390 57.273 56.100 -0.361 0.000 0.967 711 R CB -0.364 29.730 30.300 -0.343 0.000 0.862 711 R HN 0.325 nan 8.270 nan 0.000 0.436 712 H N 0.069 118.487 119.070 -1.086 0.000 2.387 712 H HA -0.092 4.462 4.556 -0.004 0.000 0.299 712 H C 1.454 176.607 175.328 -0.292 0.000 1.090 712 H CA 1.553 57.018 56.048 -0.973 0.000 1.332 712 H CB 0.038 29.356 29.762 -0.739 0.000 1.386 712 H HN 0.180 nan 8.280 nan 0.000 0.516 713 H N -0.288 118.666 119.070 -0.194 0.000 2.563 713 H HA 0.139 4.692 4.556 -0.004 0.000 0.272 713 H C 1.272 176.522 175.328 -0.130 0.000 1.005 713 H CA 0.678 56.648 56.048 -0.130 0.000 1.171 713 H CB -0.544 29.194 29.762 -0.040 0.000 1.351 713 H HN 0.628 nan 8.280 nan 0.000 0.602 714 G N 1.339 110.113 108.800 -0.044 0.000 2.295 714 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.287 714 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.287 714 G C 0.469 175.365 174.900 -0.006 0.000 1.055 714 G CA 0.422 45.505 45.100 -0.027 0.000 0.922 714 G HN 0.532 nan 8.290 nan 0.000 0.503 715 Q N -0.935 118.863 119.800 -0.003 0.000 2.086 715 Q HA 0.293 4.630 4.340 -0.004 0.000 0.220 715 Q C 0.182 176.178 176.000 -0.006 0.000 0.792 715 Q CA 0.161 55.967 55.803 0.004 0.000 1.062 715 Q CB 1.200 29.953 28.738 0.025 0.000 1.198 715 Q HN 0.693 nan 8.270 nan 0.000 0.466 716 E N 1.154 121.341 120.200 -0.021 0.000 2.343 716 E HA 0.286 4.634 4.350 -0.004 0.000 0.288 716 E C -2.786 173.801 176.600 -0.022 0.000 0.907 716 E CA -1.950 54.436 56.400 -0.023 0.000 0.792 716 E CB 1.574 31.255 29.700 -0.031 0.000 1.275 716 E HN -0.137 nan 8.360 nan 0.000 0.402 717 P HA 0.022 nan 4.420 nan 0.000 0.267 717 P C -0.891 176.390 177.300 -0.032 0.000 1.200 717 P CA -0.336 62.758 63.100 -0.010 0.000 0.772 717 P CB 0.630 32.324 31.700 -0.009 0.000 0.855 718 V N 2.331 122.230 119.914 -0.026 0.000 2.320 718 V HA 0.327 4.444 4.120 -0.004 0.000 0.265 718 V C 0.525 176.503 176.094 -0.194 0.000 1.048 718 V CA -0.200 62.038 62.300 -0.103 0.000 0.865 718 V CB 0.181 31.994 31.823 -0.017 0.000 1.043 718 V HN 0.670 nan 8.190 nan 0.000 0.474 719 S N 4.330 119.861 115.700 -0.281 0.000 2.532 719 S HA 0.682 5.150 4.470 -0.004 0.000 0.301 719 S C -0.716 173.674 174.600 -0.351 0.000 1.083 719 S CA -0.566 57.511 58.200 -0.204 0.000 1.025 719 S CB 1.480 64.640 63.200 -0.067 0.000 1.056 719 S HN 0.498 nan 8.310 nan 0.000 0.494 720 Y N 1.866 122.203 120.300 0.061 0.000 2.713 720 Y HA 0.486 5.034 4.550 -0.004 0.000 0.269 720 Y C 1.689 177.633 175.900 0.073 0.000 1.106 720 Y CA -0.332 57.839 58.100 0.118 0.000 1.174 720 Y CB -0.145 38.400 38.460 0.142 0.000 1.186 720 Y HN 0.875 nan 8.280 nan 0.000 0.555 721 A N 0.057 122.933 122.820 0.092 0.000 2.019 721 A HA -0.189 4.128 4.320 -0.004 0.000 0.219 721 A C 1.844 179.392 177.584 -0.061 0.000 1.164 721 A CA 1.617 53.668 52.037 0.023 0.000 0.644 721 A CB -0.207 18.788 19.000 -0.008 0.000 0.805 721 A HN 0.562 nan 8.150 nan 0.000 0.449 722 E N -1.649 118.432 120.200 -0.200 0.000 2.418 722 E HA -0.026 4.322 4.350 -0.004 0.000 0.197 722 E C -0.714 175.399 176.600 -0.812 0.000 1.026 722 E CA 0.431 56.507 56.400 -0.540 0.000 0.862 722 E CB -0.049 29.186 29.700 -0.775 0.000 0.799 722 E HN 0.739 nan 8.360 nan 0.000 0.518 723 F N -0.338 119.702 119.950 0.149 0.000 2.646 723 F HA 0.244 4.768 4.527 -0.004 0.000 0.336 723 F C -1.932 173.949 175.800 0.136 0.000 1.437 723 F CA -1.906 56.194 58.000 0.167 0.000 1.142 723 F CB 1.313 40.431 39.000 0.195 0.000 1.530 723 F HN -0.113 nan 8.300 nan 0.000 0.591 724 P HA -0.195 nan 4.420 nan 0.000 0.218 724 P C 1.170 178.439 177.300 -0.052 0.000 1.149 724 P CA 1.770 64.880 63.100 0.018 0.000 0.817 724 P CB 0.180 31.819 31.700 -0.102 0.000 0.785 725 H N -0.768 118.387 119.070 0.142 0.000 2.512 725 H HA 0.259 4.812 4.556 -0.004 0.000 0.279 725 H C 1.771 177.193 175.328 0.157 0.000 0.999 725 H CA 1.068 57.188 56.048 0.120 0.000 1.283 725 H CB 0.041 29.874 29.762 0.118 0.000 1.421 725 H HN 0.154 nan 8.280 nan 0.000 0.554 726 A N 0.716 123.725 122.820 0.315 0.000 2.195 726 A HA -0.033 4.284 4.320 -0.004 0.000 0.210 726 A C 2.171 179.865 177.584 0.182 0.000 1.165 726 A CA 0.211 52.438 52.037 0.315 0.000 0.806 726 A CB 0.057 19.225 19.000 0.281 0.000 0.847 726 A HN 0.325 nan 8.150 nan 0.000 0.482 727 E N 1.608 121.863 120.200 0.091 0.000 2.097 727 E HA -0.295 4.053 4.350 -0.004 0.000 0.196 727 E C 1.773 178.249 176.600 -0.207 0.000 1.000 727 E CA 1.778 58.133 56.400 -0.074 0.000 0.804 727 E CB -0.160 29.519 29.700 -0.035 0.000 0.740 727 E HN 0.775 nan 8.360 nan 0.000 0.454 728 K N -0.747 119.511 120.400 -0.238 0.000 2.281 728 K HA -0.187 4.130 4.320 -0.004 0.000 0.203 728 K C 1.389 177.699 176.600 -0.483 0.000 1.046 728 K CA 1.605 57.653 56.287 -0.399 0.000 0.938 728 K CB -0.292 31.904 32.500 -0.506 0.000 0.737 728 K HN 0.318 nan 8.250 nan 0.000 0.458 729 Y N 0.833 121.084 120.300 -0.082 0.000 2.500 729 Y HA 0.177 4.724 4.550 -0.004 0.000 0.284 729 Y C 2.164 178.001 175.900 -0.105 0.000 1.118 729 Y CA -0.225 57.832 58.100 -0.071 0.000 1.241 729 Y CB 0.045 38.484 38.460 -0.034 0.000 1.171 729 Y HN -0.170 nan 8.280 nan 0.000 0.540 730 L N -0.198 121.013 121.223 -0.020 0.000 2.027 730 L HA -0.169 4.168 4.340 -0.004 0.000 0.206 730 L C 2.512 179.203 176.870 -0.298 0.000 1.074 730 L CA 1.307 56.070 54.840 -0.130 0.000 0.745 730 L CB -0.503 41.474 42.059 -0.136 0.000 0.898 730 L HN 0.133 nan 8.230 nan 0.000 0.433 731 R N 0.059 120.240 120.500 -0.532 0.000 2.097 731 R HA -0.175 4.162 4.340 -0.004 0.000 0.236 731 R C -0.130 176.070 176.300 -0.166 0.000 1.135 731 R CA 2.021 57.835 56.100 -0.476 0.000 0.934 731 R CB -1.537 28.515 30.300 -0.415 0.000 0.846 731 R HN 0.283 nan 8.270 nan 0.000 0.431 732 P HA -0.146 nan 4.420 nan 0.000 0.219 732 P C 0.997 178.292 177.300 -0.008 0.000 1.146 732 P CA 1.374 64.442 63.100 -0.053 0.000 0.808 732 P CB 0.007 31.680 31.700 -0.045 0.000 0.779 733 I N -1.854 118.718 120.570 0.003 0.000 2.296 733 I HA -0.111 4.056 4.170 -0.004 0.000 0.242 733 I C 1.907 178.059 176.117 0.058 0.000 1.087 733 I CA 1.166 62.494 61.300 0.047 0.000 1.393 733 I CB -0.368 37.666 38.000 0.057 0.000 1.093 733 I HN -0.181 nan 8.210 nan 0.000 0.421 734 L N -0.094 121.161 121.223 0.054 0.000 2.592 734 L HA 0.047 4.384 4.340 -0.004 0.000 0.227 734 L C 1.504 178.424 176.870 0.084 0.000 1.127 734 L CA 0.046 54.939 54.840 0.088 0.000 0.884 734 L CB -0.395 41.759 42.059 0.158 0.000 1.065 734 L HN 0.145 nan 8.230 nan 0.000 0.457 735 D N 1.068 121.500 120.400 0.052 0.000 2.084 735 D HA -0.239 4.399 4.640 -0.004 0.000 0.194 735 D C 1.958 178.163 176.300 -0.158 0.000 0.990 735 D CA 1.469 55.460 54.000 -0.015 0.000 0.826 735 D CB 0.063 40.851 40.800 -0.020 0.000 0.971 735 D HN 0.427 nan 8.370 nan 0.000 0.453 736 E N -0.371 119.779 120.200 -0.084 0.000 2.253 736 E HA -0.217 4.130 4.350 -0.004 0.000 0.202 736 E C 0.891 177.415 176.600 -0.127 0.000 1.014 736 E CA 1.648 58.002 56.400 -0.077 0.000 0.823 736 E CB -0.089 29.646 29.700 0.058 0.000 0.736 736 E HN 0.058 nan 8.360 nan 0.000 0.478 737 T N -1.252 113.237 114.554 -0.108 0.000 3.442 737 T HA 0.133 4.481 4.350 -0.004 0.000 0.295 737 T C -1.049 173.632 174.700 -0.033 0.000 1.007 737 T CA -0.264 61.840 62.100 0.006 0.000 0.962 737 T CB -0.436 68.503 68.868 0.118 0.000 1.187 737 T HN 0.352 nan 8.240 nan 0.000 0.490 738 Y N -0.168 120.063 120.300 -0.116 0.000 3.108 738 Y HA -0.254 4.294 4.550 -0.004 0.000 0.208 738 Y C 1.504 177.328 175.900 -0.128 0.000 1.245 738 Y CA 0.945 58.947 58.100 -0.164 0.000 1.171 738 Y CB -2.093 36.163 38.460 -0.341 0.000 1.331 738 Y HN 0.575 nan 8.280 nan 0.000 0.534 739 G N -0.855 107.960 108.800 0.026 0.000 2.284 739 G HA2 -0.360 3.597 3.960 -0.004 0.000 0.261 739 G HA3 -0.360 3.597 3.960 -0.004 0.000 0.261 739 G C 0.251 175.092 174.900 -0.099 0.000 0.997 739 G CA 0.162 45.245 45.100 -0.028 0.000 0.621 739 G HN 0.571 nan 8.290 nan 0.000 0.534 740 I N 2.536 123.040 120.570 -0.110 0.000 2.396 740 I HA 0.301 4.469 4.170 -0.004 0.000 0.289 740 I C -2.111 173.803 176.117 -0.338 0.000 1.056 740 I CA -2.167 58.972 61.300 -0.269 0.000 1.365 740 I CB 1.281 39.214 38.000 -0.112 0.000 1.407 740 I HN -0.141 nan 8.210 nan 0.000 0.509 741 P HA 0.079 nan 4.420 nan 0.000 0.271 741 P C 0.483 177.626 177.300 -0.263 0.000 1.380 741 P CA 0.088 62.925 63.100 -0.437 0.000 0.992 741 P CB 0.715 32.066 31.700 -0.581 0.000 1.230 742 V N 2.869 122.632 119.914 -0.251 0.000 2.788 742 V HA 0.052 4.169 4.120 -0.004 0.000 0.241 742 V C 0.492 176.477 176.094 -0.180 0.000 1.083 742 V CA 0.887 63.009 62.300 -0.296 0.000 1.103 742 V CB -0.611 30.821 31.823 -0.651 0.000 0.800 742 V HN 0.330 nan 8.190 nan 0.000 0.476 743 Y N 0.321 120.704 120.300 0.138 0.000 2.361 743 Y HA 0.288 4.835 4.550 -0.004 0.000 0.332 743 Y C 1.564 177.526 175.900 0.103 0.000 1.101 743 Y CA -0.576 57.615 58.100 0.151 0.000 1.137 743 Y CB 1.135 39.676 38.460 0.135 0.000 1.207 743 Y HN -0.018 nan 8.280 nan 0.000 0.463 744 Q N 1.136 121.088 119.800 0.254 0.000 2.096 744 Q HA -0.234 4.104 4.340 -0.004 0.000 0.204 744 Q C 1.355 177.426 176.000 0.117 0.000 0.982 744 Q CA 2.016 57.896 55.803 0.128 0.000 0.850 744 Q CB -0.039 28.735 28.738 0.061 0.000 0.901 744 Q HN 0.771 nan 8.270 nan 0.000 0.422 745 E N 0.698 120.987 120.200 0.149 0.000 2.118 745 E HA -0.204 4.143 4.350 -0.004 0.000 0.195 745 E C 1.924 178.607 176.600 0.138 0.000 0.992 745 E CA 1.140 57.615 56.400 0.126 0.000 0.804 745 E CB -0.016 29.751 29.700 0.112 0.000 0.741 745 E HN 0.362 nan 8.360 nan 0.000 0.458 746 Q N -0.197 119.712 119.800 0.182 0.000 2.084 746 Q HA -0.123 4.215 4.340 -0.004 0.000 0.202 746 Q C 2.243 178.292 176.000 0.082 0.000 0.978 746 Q CA 1.070 56.958 55.803 0.141 0.000 0.844 746 Q CB -0.125 28.699 28.738 0.143 0.000 0.898 746 Q HN 0.357 nan 8.270 nan 0.000 0.426 747 I N 0.365 120.975 120.570 0.067 0.000 2.163 747 I HA -0.305 3.863 4.170 -0.004 0.000 0.240 747 I C 2.419 178.561 176.117 0.041 0.000 1.081 747 I CA 1.158 62.477 61.300 0.031 0.000 1.353 747 I CB -0.219 37.786 38.000 0.008 0.000 1.054 747 I HN 0.231 nan 8.210 nan 0.000 0.407 748 M N -0.200 119.427 119.600 0.045 0.000 2.089 748 M HA -0.326 4.151 4.480 -0.004 0.000 0.257 748 M C 2.409 178.755 176.300 0.077 0.000 1.071 748 M CA 2.025 57.352 55.300 0.046 0.000 1.096 748 M CB -0.577 32.052 32.600 0.049 0.000 1.330 748 M HN 0.280 nan 8.290 nan 0.000 0.403 749 Q N 0.124 119.976 119.800 0.087 0.000 2.050 749 Q HA -0.130 4.208 4.340 -0.004 0.000 0.202 749 Q C 2.069 178.121 176.000 0.085 0.000 0.980 749 Q CA 1.371 57.229 55.803 0.091 0.000 0.840 749 Q CB -0.211 28.585 28.738 0.097 0.000 0.898 749 Q HN 0.561 nan 8.270 nan 0.000 0.424 750 I N 0.752 121.372 120.570 0.083 0.000 2.118 750 I HA -0.332 3.835 4.170 -0.004 0.000 0.241 750 I C 2.414 178.612 176.117 0.135 0.000 1.070 750 I CA 1.271 62.623 61.300 0.086 0.000 1.327 750 I CB -0.458 37.580 38.000 0.064 0.000 1.034 750 I HN 0.193 nan 8.210 nan 0.000 0.405 751 A N -0.690 122.253 122.820 0.205 0.000 2.019 751 A HA -0.207 4.110 4.320 -0.004 0.000 0.219 751 A C 2.450 180.238 177.584 0.341 0.000 1.164 751 A CA 2.068 54.344 52.037 0.398 0.000 0.644 751 A CB -0.591 18.618 19.000 0.348 0.000 0.805 751 A HN 0.422 nan 8.150 nan 0.000 0.449 752 S N -1.194 114.624 115.700 0.196 0.000 2.414 752 S HA -0.108 4.360 4.470 -0.004 0.000 0.227 752 S C 2.055 176.674 174.600 0.032 0.000 1.022 752 S CA 1.331 59.628 58.200 0.162 0.000 0.958 752 S CB -0.212 63.062 63.200 0.123 0.000 0.797 752 S HN 0.701 nan 8.310 nan 0.000 0.493 753 Q N -0.243 119.531 119.800 -0.043 0.000 2.226 753 Q HA 0.104 4.442 4.340 -0.004 0.000 0.199 753 Q C 2.247 177.924 176.000 -0.538 0.000 0.945 753 Q CA 0.995 56.671 55.803 -0.213 0.000 0.861 753 Q CB -0.108 28.561 28.738 -0.115 0.000 0.953 753 Q HN 0.380 nan 8.270 nan 0.000 0.490 754 V N 1.005 120.644 119.914 -0.459 0.000 2.307 754 V HA -0.188 3.930 4.120 -0.004 0.000 0.245 754 V C 2.077 177.857 176.094 -0.524 0.000 1.045 754 V CA 2.023 63.992 62.300 -0.551 0.000 1.024 754 V CB -0.552 31.123 31.823 -0.248 0.000 0.651 754 V HN 0.361 nan 8.190 nan 0.000 0.449 755 A N -1.141 121.390 122.820 -0.480 0.000 2.132 755 A HA 0.371 4.688 4.320 -0.004 0.000 0.213 755 A C 2.003 179.336 177.584 -0.418 0.000 1.154 755 A CA 1.170 52.847 52.037 -0.600 0.000 0.753 755 A CB -0.277 18.338 19.000 -0.641 0.000 0.826 755 A HN 1.222 nan 8.150 nan 0.000 0.469 756 G N -2.261 106.382 108.800 -0.261 0.000 2.159 756 G HA2 -0.315 3.642 3.960 -0.004 0.000 0.256 756 G HA3 -0.315 3.642 3.960 -0.004 0.000 0.256 756 G C 0.145 174.999 174.900 -0.076 0.000 0.977 756 G CA 0.223 45.220 45.100 -0.171 0.000 0.652 756 G HN 0.495 nan 8.290 nan 0.000 0.531 757 Y N 1.442 121.723 120.300 -0.032 0.000 2.788 757 Y HA 0.243 4.791 4.550 -0.004 0.000 0.341 757 Y C 1.542 177.460 175.900 0.030 0.000 1.258 757 Y CA 0.795 58.911 58.100 0.027 0.000 1.503 757 Y CB 0.562 39.070 38.460 0.079 0.000 1.325 757 Y HN 0.301 nan 8.280 nan 0.000 0.614 758 S N 3.219 119.081 115.700 0.270 0.000 2.549 758 S HA -0.027 4.440 4.470 -0.004 0.000 0.283 758 S C 0.938 175.634 174.600 0.161 0.000 1.320 758 S CA -0.907 57.397 58.200 0.174 0.000 1.058 758 S CB 0.523 63.819 63.200 0.159 0.000 0.882 758 S HN 0.684 nan 8.310 nan 0.000 0.498 759 L N 5.663 126.967 121.223 0.136 0.000 2.127 759 L HA 0.077 4.414 4.340 -0.004 0.000 0.211 759 L C 2.402 179.337 176.870 0.108 0.000 1.089 759 L CA 2.445 57.360 54.840 0.126 0.000 0.757 759 L CB -1.455 40.691 42.059 0.145 0.000 0.899 759 L HN 0.977 nan 8.230 nan 0.000 0.434 760 G N -1.660 107.217 108.800 0.129 0.000 2.408 760 G HA2 -0.226 3.731 3.960 -0.004 0.000 0.217 760 G HA3 -0.226 3.731 3.960 -0.004 0.000 0.217 760 G C 1.499 176.427 174.900 0.046 0.000 1.150 760 G CA 0.627 45.784 45.100 0.095 0.000 0.776 760 G HN 0.482 nan 8.290 nan 0.000 0.542 761 E N 0.394 120.626 120.200 0.053 0.000 2.107 761 E HA 0.031 4.379 4.350 -0.004 0.000 0.191 761 E C 2.915 179.401 176.600 -0.191 0.000 0.982 761 E CA 0.576 56.968 56.400 -0.013 0.000 0.809 761 E CB -0.134 29.628 29.700 0.104 0.000 0.756 761 E HN 0.391 nan 8.360 nan 0.000 0.459 762 A N 1.500 124.212 122.820 -0.181 0.000 1.978 762 A HA -0.272 4.045 4.320 -0.004 0.000 0.220 762 A C 1.808 179.313 177.584 -0.132 0.000 1.170 762 A CA 1.956 53.865 52.037 -0.212 0.000 0.636 762 A CB -0.503 18.467 19.000 -0.050 0.000 0.810 762 A HN 0.228 nan 8.150 nan 0.000 0.448 763 D N -0.054 120.304 120.400 -0.070 0.000 2.078 763 D HA -0.147 4.491 4.640 -0.004 0.000 0.193 763 D C 1.837 178.089 176.300 -0.079 0.000 0.990 763 D CA 1.542 55.508 54.000 -0.056 0.000 0.827 763 D CB -0.243 40.538 40.800 -0.030 0.000 0.975 763 D HN 0.409 nan 8.370 nan 0.000 0.451 764 L N -0.120 121.062 121.223 -0.069 0.000 2.043 764 L HA -0.181 4.157 4.340 -0.004 0.000 0.212 764 L C 2.495 179.296 176.870 -0.115 0.000 1.075 764 L CA 0.618 55.426 54.840 -0.055 0.000 0.752 764 L CB -0.638 41.425 42.059 0.006 0.000 0.891 764 L HN 0.235 nan 8.230 nan 0.000 0.432 765 L N 0.158 121.268 121.223 -0.188 0.000 2.012 765 L HA -0.227 4.111 4.340 -0.004 0.000 0.210 765 L C 2.754 179.473 176.870 -0.251 0.000 1.073 765 L CA 1.764 56.423 54.840 -0.302 0.000 0.748 765 L CB -0.702 41.166 42.059 -0.319 0.000 0.891 765 L HN 0.141 nan 8.230 nan 0.000 0.431 766 R N -0.755 119.639 120.500 -0.176 0.000 2.105 766 R HA -0.151 4.186 4.340 -0.004 0.000 0.239 766 R C 2.277 178.500 176.300 -0.129 0.000 1.135 766 R CA 1.233 57.248 56.100 -0.141 0.000 0.967 766 R CB -0.079 30.165 30.300 -0.093 0.000 0.861 766 R HN 0.407 nan 8.270 nan 0.000 0.442 767 R N -0.130 120.299 120.500 -0.117 0.000 2.075 767 R HA -0.063 4.275 4.340 -0.004 0.000 0.232 767 R C 2.160 178.396 176.300 -0.108 0.000 1.126 767 R CA 1.351 57.393 56.100 -0.097 0.000 0.963 767 R CB -0.641 29.615 30.300 -0.073 0.000 0.858 767 R HN 0.239 nan 8.270 nan 0.000 0.435 768 A N 1.374 124.106 122.820 -0.148 0.000 2.014 768 A HA -0.036 4.282 4.320 -0.004 0.000 0.218 768 A C 2.264 179.757 177.584 -0.152 0.000 1.163 768 A CA 0.923 52.865 52.037 -0.159 0.000 0.652 768 A CB -0.297 18.526 19.000 -0.296 0.000 0.808 768 A HN 0.120 nan 8.150 nan 0.000 0.449 769 M N -0.727 118.766 119.600 -0.178 0.000 2.175 769 M HA -0.082 4.396 4.480 -0.004 0.000 0.264 769 M C 2.267 178.490 176.300 -0.128 0.000 1.063 769 M CA 1.558 56.762 55.300 -0.160 0.000 1.119 769 M CB -0.976 31.506 32.600 -0.197 0.000 1.377 769 M HN 0.498 nan 8.290 nan 0.000 0.415 770 G N 0.470 109.197 108.800 -0.121 0.000 2.408 770 G HA2 -0.140 3.818 3.960 -0.004 0.000 0.215 770 G HA3 -0.140 3.818 3.960 -0.004 0.000 0.215 770 G C 1.749 176.591 174.900 -0.095 0.000 1.156 770 G CA 0.260 45.292 45.100 -0.113 0.000 0.793 770 G HN 0.378 nan 8.290 nan 0.000 0.535 771 K N 0.109 120.461 120.400 -0.080 0.000 2.148 771 K HA -0.008 4.309 4.320 -0.004 0.000 0.204 771 K C 0.610 177.179 176.600 -0.051 0.000 1.050 771 K CA 0.536 56.788 56.287 -0.059 0.000 0.942 771 K CB -0.055 32.418 32.500 -0.044 0.000 0.724 771 K HN 0.127 nan 8.250 nan 0.000 0.446 772 K N 0.860 121.228 120.400 -0.053 0.000 3.077 772 K HA -0.196 4.121 4.320 -0.004 0.000 0.264 772 K C -0.433 176.159 176.600 -0.014 0.000 1.008 772 K CA 0.186 56.451 56.287 -0.037 0.000 0.740 772 K CB -1.167 31.305 32.500 -0.047 0.000 1.273 772 K HN 0.214 nan 8.250 nan 0.000 0.477 773 R N 1.043 121.541 120.500 -0.003 0.000 2.446 773 R HA -0.002 4.336 4.340 -0.004 0.000 0.314 773 R C 1.665 177.980 176.300 0.024 0.000 1.003 773 R CA 0.120 56.228 56.100 0.013 0.000 1.018 773 R CB 0.407 30.723 30.300 0.027 0.000 0.945 773 R HN 0.138 nan 8.270 nan 0.000 0.419 774 V N 4.164 124.088 119.914 0.016 0.000 2.308 774 V HA -0.405 3.712 4.120 -0.004 0.000 0.251 774 V C 1.279 177.391 176.094 0.030 0.000 1.055 774 V CA 2.506 64.817 62.300 0.018 0.000 1.105 774 V CB -0.463 31.368 31.823 0.013 0.000 0.785 774 V HN 0.869 nan 8.190 nan 0.000 0.479 775 E N -2.161 118.060 120.200 0.034 0.000 2.641 775 E HA 0.068 4.415 4.350 -0.004 0.000 0.224 775 E C 1.874 178.507 176.600 0.054 0.000 0.951 775 E CA -0.041 56.383 56.400 0.039 0.000 1.102 775 E CB 0.363 30.078 29.700 0.026 0.000 1.091 775 E HN 0.529 nan 8.360 nan 0.000 0.507 776 E N 0.955 121.196 120.200 0.068 0.000 2.338 776 E HA -0.123 4.224 4.350 -0.004 0.000 0.197 776 E C 1.584 178.298 176.600 0.190 0.000 1.007 776 E CA 0.650 57.111 56.400 0.102 0.000 0.849 776 E CB 0.178 29.938 29.700 0.099 0.000 0.774 776 E HN 0.257 nan 8.360 nan 0.000 0.506 777 M N 0.143 119.839 119.600 0.160 0.000 2.229 777 M HA -0.141 4.336 4.480 -0.004 0.000 0.264 777 M C 1.898 178.304 176.300 0.176 0.000 1.063 777 M CA 1.292 56.715 55.300 0.205 0.000 1.114 777 M CB -0.470 32.218 32.600 0.148 0.000 1.387 777 M HN 0.141 nan 8.290 nan 0.000 0.420 778 Q N -0.415 119.439 119.800 0.089 0.000 2.369 778 Q HA -0.119 4.218 4.340 -0.004 0.000 0.206 778 Q C 1.788 177.789 176.000 0.002 0.000 0.963 778 Q CA 0.811 56.624 55.803 0.017 0.000 0.894 778 Q CB 0.077 28.821 28.738 0.010 0.000 0.965 778 Q HN 0.516 nan 8.270 nan 0.000 0.475 779 K N -0.267 120.155 120.400 0.037 0.000 2.062 779 K HA -0.088 4.230 4.320 -0.004 0.000 0.205 779 K C 1.830 178.399 176.600 -0.050 0.000 1.051 779 K CA 0.904 57.172 56.287 -0.030 0.000 0.941 779 K CB -0.040 32.415 32.500 -0.075 0.000 0.719 779 K HN 0.355 nan 8.250 nan 0.000 0.440 780 H N 0.625 119.736 119.070 0.068 0.000 2.389 780 H HA 0.015 4.568 4.556 -0.004 0.000 0.299 780 H C 2.214 177.531 175.328 -0.018 0.000 1.081 780 H CA 0.980 57.124 56.048 0.160 0.000 1.345 780 H CB 0.152 30.086 29.762 0.287 0.000 1.393 780 H HN 0.157 nan 8.280 nan 0.000 0.520 781 R N 0.666 121.030 120.500 -0.226 0.000 2.097 781 R HA -0.145 4.193 4.340 -0.004 0.000 0.236 781 R C 2.337 178.516 176.300 -0.201 0.000 1.135 781 R CA 1.197 56.935 56.100 -0.604 0.000 0.934 781 R CB -0.119 29.885 30.300 -0.493 0.000 0.846 781 R HN 0.295 nan 8.270 nan 0.000 0.431 782 E N 0.744 120.883 120.200 -0.101 0.000 2.077 782 E HA -0.212 4.135 4.350 -0.004 0.000 0.193 782 E C 1.971 178.553 176.600 -0.030 0.000 0.989 782 E CA 1.203 57.572 56.400 -0.051 0.000 0.800 782 E CB -0.017 29.656 29.700 -0.045 0.000 0.746 782 E HN 0.054 nan 8.360 nan 0.000 0.452 783 R N -0.238 120.255 120.500 -0.012 0.000 2.096 783 R HA -0.133 4.204 4.340 -0.004 0.000 0.235 783 R C 2.281 178.543 176.300 -0.063 0.000 1.127 783 R CA 1.394 57.475 56.100 -0.033 0.000 0.968 783 R CB -0.958 29.351 30.300 0.014 0.000 0.861 783 R HN 0.186 nan 8.270 nan 0.000 0.440 784 F N -0.122 119.779 119.950 -0.083 0.000 2.051 784 F HA -0.173 4.352 4.527 -0.004 0.000 0.296 784 F C 1.976 177.731 175.800 -0.075 0.000 1.122 784 F CA 1.902 59.879 58.000 -0.039 0.000 1.201 784 F CB -0.593 38.483 39.000 0.127 0.000 0.978 784 F HN -0.136 nan 8.300 nan 0.000 0.472 785 V N 0.898 120.872 119.914 0.101 0.000 2.332 785 V HA -0.341 3.777 4.120 -0.004 0.000 0.248 785 V C 2.546 178.583 176.094 -0.095 0.000 1.055 785 V CA 2.213 64.521 62.300 0.015 0.000 1.038 785 V CB -0.762 31.092 31.823 0.053 0.000 0.651 785 V HN 0.297 nan 8.190 nan 0.000 0.450 786 R N -0.098 120.343 120.500 -0.099 0.000 2.122 786 R HA -0.215 4.122 4.340 -0.004 0.000 0.236 786 R C 2.412 178.612 176.300 -0.166 0.000 1.129 786 R CA 2.087 58.117 56.100 -0.116 0.000 0.925 786 R CB -1.017 29.216 30.300 -0.111 0.000 0.850 786 R HN 0.591 nan 8.270 nan 0.000 0.431 787 G N -0.561 108.090 108.800 -0.248 0.000 2.443 787 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.219 787 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.219 787 G C 1.413 176.124 174.900 -0.315 0.000 1.131 787 G CA 0.729 45.653 45.100 -0.292 0.000 0.775 787 G HN 0.475 nan 8.290 nan 0.000 0.547 788 A N 0.835 123.426 122.820 -0.381 0.000 1.855 788 A HA 0.037 4.355 4.320 -0.004 0.000 0.215 788 A C 2.261 179.743 177.584 -0.168 0.000 1.191 788 A CA 1.871 53.702 52.037 -0.342 0.000 0.613 788 A CB -0.394 18.381 19.000 -0.375 0.000 0.829 788 A HN 0.309 nan 8.150 nan 0.000 0.442 789 K N -0.706 119.619 120.400 -0.124 0.000 2.001 789 K HA -0.221 4.096 4.320 -0.004 0.000 0.214 789 K C 2.098 178.651 176.600 -0.080 0.000 1.050 789 K CA 1.808 58.046 56.287 -0.082 0.000 0.934 789 K CB -0.248 32.212 32.500 -0.066 0.000 0.718 789 K HN 0.630 nan 8.250 nan 0.000 0.443 790 E N 0.044 120.187 120.200 -0.095 0.000 2.219 790 E HA -0.224 4.124 4.350 -0.004 0.000 0.198 790 E C 1.945 178.503 176.600 -0.069 0.000 0.998 790 E CA 1.120 57.471 56.400 -0.081 0.000 0.818 790 E CB 0.284 29.925 29.700 -0.098 0.000 0.741 790 E HN 0.159 nan 8.360 nan 0.000 0.477 791 R N -1.847 118.602 120.500 -0.086 0.000 2.056 791 R HA 0.154 4.492 4.340 -0.004 0.000 0.215 791 R C 1.792 178.110 176.300 0.031 0.000 1.205 791 R CA 1.282 57.354 56.100 -0.048 0.000 1.020 791 R CB -0.086 30.131 30.300 -0.139 0.000 0.911 791 R HN 0.251 nan 8.270 nan 0.000 0.451 792 G N 0.399 109.219 108.800 0.033 0.000 3.128 792 G HA2 0.047 4.005 3.960 -0.004 0.000 0.158 792 G HA3 0.047 4.005 3.960 -0.004 0.000 0.158 792 G C -0.104 174.805 174.900 0.016 0.000 1.289 792 G CA 0.185 45.336 45.100 0.085 0.000 0.829 792 G HN 0.120 nan 8.290 nan 0.000 0.618 793 V N 1.298 121.252 119.914 0.067 0.000 2.780 793 V HA 0.147 4.265 4.120 -0.004 0.000 0.301 793 V C -0.894 175.172 176.094 -0.048 0.000 1.168 793 V CA -0.088 62.244 62.300 0.053 0.000 1.305 793 V CB 0.500 32.408 31.823 0.141 0.000 0.858 793 V HN 0.382 nan 8.190 nan 0.000 0.502 794 P HA -0.064 nan 4.420 nan 0.000 0.239 794 P C 0.836 178.126 177.300 -0.016 0.000 1.184 794 P CA 1.222 64.255 63.100 -0.111 0.000 0.760 794 P CB -0.012 31.600 31.700 -0.147 0.000 0.884 795 E N -0.973 119.248 120.200 0.035 0.000 4.280 795 E HA -0.321 4.027 4.350 -0.004 0.000 0.363 795 E C 1.233 177.893 176.600 0.100 0.000 0.588 795 E CA 1.195 57.635 56.400 0.068 0.000 1.520 795 E CB -2.240 27.479 29.700 0.030 0.000 1.861 795 E HN 0.170 nan 8.360 nan 0.000 0.402 796 E N 1.656 121.911 120.200 0.092 0.000 2.077 796 E HA -0.155 4.192 4.350 -0.004 0.000 0.193 796 E C 1.737 178.439 176.600 0.170 0.000 0.989 796 E CA 2.240 58.705 56.400 0.108 0.000 0.800 796 E CB -0.157 29.594 29.700 0.084 0.000 0.746 796 E HN 0.662 nan 8.360 nan 0.000 0.452 797 E N 0.236 120.565 120.200 0.215 0.000 2.047 797 E HA -0.115 4.233 4.350 -0.004 0.000 0.191 797 E C 2.119 178.953 176.600 0.391 0.000 0.987 797 E CA 0.993 57.605 56.400 0.353 0.000 0.799 797 E CB -0.317 29.628 29.700 0.409 0.000 0.752 797 E HN 0.401 nan 8.360 nan 0.000 0.449 798 A N 2.230 125.238 122.820 0.313 0.000 1.869 798 A HA -0.307 4.010 4.320 -0.004 0.000 0.218 798 A C 1.914 179.740 177.584 0.402 0.000 1.203 798 A CA 2.031 54.305 52.037 0.395 0.000 0.638 798 A CB -0.846 18.323 19.000 0.282 0.000 0.831 798 A HN 0.191 nan 8.150 nan 0.000 0.450 799 N N -0.893 117.969 118.700 0.270 0.000 2.205 799 N HA -0.161 4.577 4.740 -0.004 0.000 0.186 799 N C 1.842 177.496 175.510 0.240 0.000 1.015 799 N CA 1.557 54.729 53.050 0.204 0.000 0.862 799 N CB -0.329 38.236 38.487 0.130 0.000 0.986 799 N HN 0.591 nan 8.380 nan 0.000 0.429 800 R N 0.058 120.729 120.500 0.284 0.000 2.210 800 R HA 0.091 4.429 4.340 -0.004 0.000 0.203 800 R C 1.958 178.506 176.300 0.413 0.000 1.010 800 R CA 0.050 56.343 56.100 0.321 0.000 1.008 800 R CB 0.003 30.489 30.300 0.309 0.000 0.923 800 R HN 0.053 nan 8.270 nan 0.000 0.469 801 L N -0.124 121.330 121.223 0.385 0.000 2.109 801 L HA -0.024 4.314 4.340 -0.004 0.000 0.207 801 L C 1.638 178.499 176.870 -0.015 0.000 1.086 801 L CA 1.601 56.469 54.840 0.047 0.000 0.760 801 L CB -0.533 41.518 42.059 -0.013 0.000 0.910 801 L HN 0.089 nan 8.230 nan 0.000 0.437 802 F N 0.422 120.266 119.950 -0.177 0.000 2.171 802 F HA -0.209 4.315 4.527 -0.004 0.000 0.300 802 F C 2.152 177.867 175.800 -0.142 0.000 1.090 802 F CA 1.727 59.499 58.000 -0.380 0.000 1.293 802 F CB -0.189 38.546 39.000 -0.440 0.000 1.013 802 F HN 0.207 nan 8.300 nan 0.000 0.486 803 D N -0.067 120.423 120.400 0.151 0.000 2.144 803 D HA -0.241 4.396 4.640 -0.004 0.000 0.199 803 D C 2.361 178.700 176.300 0.066 0.000 0.984 803 D CA 1.341 55.409 54.000 0.114 0.000 0.834 803 D CB -0.372 40.528 40.800 0.165 0.000 0.955 803 D HN 0.341 nan 8.370 nan 0.000 0.465 804 M N 0.219 119.887 119.600 0.114 0.000 2.175 804 M HA -0.110 4.367 4.480 -0.004 0.000 0.264 804 M C 2.046 178.434 176.300 0.147 0.000 1.063 804 M CA 0.909 56.327 55.300 0.197 0.000 1.119 804 M CB 0.045 32.787 32.600 0.237 0.000 1.377 804 M HN -0.016 nan 8.290 nan 0.000 0.415 805 L N 0.304 121.478 121.223 -0.080 0.000 1.994 805 L HA -0.240 4.098 4.340 -0.004 0.000 0.208 805 L C 2.428 179.184 176.870 -0.191 0.000 1.071 805 L CA 2.112 56.846 54.840 -0.176 0.000 0.745 805 L CB -1.196 40.605 42.059 -0.431 0.000 0.892 805 L HN 0.438 nan 8.230 nan 0.000 0.431 806 E N 0.752 120.756 120.200 -0.325 0.000 2.267 806 E HA -0.213 4.135 4.350 -0.004 0.000 0.197 806 E C 2.027 178.553 176.600 -0.124 0.000 0.998 806 E CA 1.161 57.414 56.400 -0.245 0.000 0.830 806 E CB -0.157 29.409 29.700 -0.224 0.000 0.751 806 E HN 0.453 nan 8.360 nan 0.000 0.491 807 A N 0.977 123.749 122.820 -0.081 0.000 1.854 807 A HA 0.011 4.329 4.320 -0.004 0.000 0.214 807 A C 1.772 179.272 177.584 -0.140 0.000 1.192 807 A CA 0.880 52.842 52.037 -0.126 0.000 0.611 807 A CB -0.694 18.193 19.000 -0.188 0.000 0.832 807 A HN 0.314 nan 8.150 nan 0.000 0.442 808 F N -0.160 119.806 119.950 0.025 0.000 2.615 808 F HA 0.174 4.699 4.527 -0.004 0.000 0.297 808 F C 2.472 178.290 175.800 0.029 0.000 1.124 808 F CA 0.553 58.592 58.000 0.064 0.000 1.451 808 F CB 0.093 39.100 39.000 0.012 0.000 1.103 808 F HN 0.250 nan 8.300 nan 0.000 0.569 809 A N -0.228 122.643 122.820 0.085 0.000 2.168 809 A HA -0.105 4.212 4.320 -0.004 0.000 0.215 809 A C 2.058 179.597 177.584 -0.074 0.000 1.152 809 A CA 0.999 53.032 52.037 -0.005 0.000 0.716 809 A CB -0.529 18.415 19.000 -0.092 0.000 0.794 809 A HN 0.257 nan 8.150 nan 0.000 0.465 810 N N -0.965 117.640 118.700 -0.158 0.000 2.188 810 N HA -0.101 4.636 4.740 -0.004 0.000 0.184 810 N C 0.323 175.540 175.510 -0.489 0.000 1.018 810 N CA 1.357 54.156 53.050 -0.420 0.000 0.858 810 N CB -0.207 37.865 38.487 -0.692 0.000 0.989 810 N HN 0.688 nan 8.380 nan 0.000 0.426 811 Y N -0.487 119.863 120.300 0.083 0.000 2.660 811 Y HA 0.391 4.939 4.550 -0.004 0.000 0.254 811 Y C 1.222 177.235 175.900 0.188 0.000 1.176 811 Y CA -0.751 57.428 58.100 0.130 0.000 1.195 811 Y CB 0.312 38.849 38.460 0.129 0.000 1.190 811 Y HN -0.172 nan 8.280 nan 0.000 0.535 812 G N 0.596 109.544 108.800 0.248 0.000 2.398 812 G HA2 0.201 4.158 3.960 -0.004 0.000 0.246 812 G HA3 0.201 4.158 3.960 -0.004 0.000 0.246 812 G C -1.111 173.960 174.900 0.285 0.000 1.289 812 G CA 0.043 45.288 45.100 0.242 0.000 0.869 812 G HN 0.189 nan 8.290 nan 0.000 0.543 813 F N 1.543 121.599 119.950 0.177 0.000 2.470 813 F HA 0.360 4.884 4.527 -0.004 0.000 0.329 813 F C 0.680 176.615 175.800 0.225 0.000 1.072 813 F CA -1.262 56.858 58.000 0.201 0.000 0.989 813 F CB 1.631 40.770 39.000 0.232 0.000 1.193 813 F HN 0.490 nan 8.300 nan 0.000 0.481 814 N N 4.772 123.126 118.700 -0.575 0.000 2.399 814 N HA 0.007 4.745 4.740 -0.004 0.000 0.259 814 N C 0.895 176.356 175.510 -0.082 0.000 1.160 814 N CA -0.027 52.846 53.050 -0.296 0.000 0.946 814 N CB 0.623 38.879 38.487 -0.385 0.000 1.156 814 N HN 0.764 nan 8.380 nan 0.000 0.489 815 K N 2.309 122.709 120.400 -0.000 0.000 2.097 815 K HA -0.135 4.182 4.320 -0.004 0.000 0.205 815 K C 1.908 178.426 176.600 -0.137 0.000 1.050 815 K CA 1.516 57.685 56.287 -0.197 0.000 0.938 815 K CB 0.033 32.191 32.500 -0.570 0.000 0.718 815 K HN 0.680 nan 8.250 nan 0.000 0.442 816 S N 0.275 115.929 115.700 -0.076 0.000 2.359 816 S HA -0.261 4.207 4.470 -0.004 0.000 0.224 816 S C 2.092 176.688 174.600 -0.006 0.000 1.035 816 S CA 1.410 59.579 58.200 -0.053 0.000 1.018 816 S CB -0.956 62.227 63.200 -0.027 0.000 0.876 816 S HN 0.478 nan 8.310 nan 0.000 0.448 817 H N 2.107 121.136 119.070 -0.070 0.000 2.321 817 H HA -0.013 4.541 4.556 -0.004 0.000 0.300 817 H C 2.375 177.738 175.328 0.060 0.000 1.087 817 H CA 1.558 57.579 56.048 -0.045 0.000 1.319 817 H CB -0.549 29.122 29.762 -0.152 0.000 1.379 817 H HN 0.525 nan 8.280 nan 0.000 0.501 818 A N 1.311 124.185 122.820 0.090 0.000 1.877 818 A HA -0.131 4.187 4.320 -0.004 0.000 0.216 818 A C 2.716 180.276 177.584 -0.040 0.000 1.186 818 A CA 1.939 54.043 52.037 0.112 0.000 0.620 818 A CB -1.164 18.032 19.000 0.327 0.000 0.822 818 A HN 0.589 nan 8.150 nan 0.000 0.443 819 A N -0.145 122.594 122.820 -0.134 0.000 1.858 819 A HA 0.123 4.441 4.320 -0.004 0.000 0.216 819 A C 2.564 180.011 177.584 -0.228 0.000 1.190 819 A CA 2.433 54.296 52.037 -0.290 0.000 0.617 819 A CB -1.227 17.502 19.000 -0.452 0.000 0.827 819 A HN 1.146 nan 8.150 nan 0.000 0.443 820 A N -1.394 121.353 122.820 -0.122 0.000 1.865 820 A HA -0.148 4.169 4.320 -0.004 0.000 0.217 820 A C 2.133 179.746 177.584 0.049 0.000 1.191 820 A CA 1.855 53.870 52.037 -0.037 0.000 0.623 820 A CB -0.926 18.104 19.000 0.049 0.000 0.826 820 A HN 0.571 nan 8.150 nan 0.000 0.444 821 Y N 0.846 121.068 120.300 -0.130 0.000 2.181 821 Y HA -0.149 4.398 4.550 -0.004 0.000 0.288 821 Y C 3.068 179.024 175.900 0.093 0.000 1.146 821 Y CA 1.079 59.192 58.100 0.021 0.000 1.164 821 Y CB -0.747 37.688 38.460 -0.042 0.000 0.982 821 Y HN 0.297 nan 8.280 nan 0.000 0.515 822 S N 0.236 116.010 115.700 0.124 0.000 2.392 822 S HA -0.246 4.222 4.470 -0.004 0.000 0.232 822 S C 2.180 176.839 174.600 0.098 0.000 1.041 822 S CA 1.381 59.628 58.200 0.078 0.000 1.026 822 S CB -0.747 62.449 63.200 -0.007 0.000 0.845 822 S HN 0.425 nan 8.310 nan 0.000 0.465 823 L N 0.907 122.144 121.223 0.023 0.000 2.079 823 L HA -0.130 4.208 4.340 -0.004 0.000 0.210 823 L C 2.067 178.991 176.870 0.090 0.000 1.081 823 L CA 1.263 56.122 54.840 0.031 0.000 0.752 823 L CB -0.300 41.730 42.059 -0.048 0.000 0.896 823 L HN 0.350 nan 8.230 nan 0.000 0.433 824 L N -1.435 119.815 121.223 0.046 0.000 2.056 824 L HA -0.195 4.142 4.340 -0.004 0.000 0.207 824 L C 2.625 179.599 176.870 0.173 0.000 1.078 824 L CA 1.077 55.908 54.840 -0.015 0.000 0.749 824 L CB -0.531 41.348 42.059 -0.300 0.000 0.901 824 L HN 0.211 nan 8.230 nan 0.000 0.433 825 S N -0.685 115.221 115.700 0.343 0.000 2.353 825 S HA -0.278 4.190 4.470 -0.004 0.000 0.222 825 S C 1.856 176.569 174.600 0.188 0.000 1.035 825 S CA 1.623 59.987 58.200 0.273 0.000 1.025 825 S CB -0.615 62.687 63.200 0.169 0.000 0.902 825 S HN 0.378 nan 8.310 nan 0.000 0.440 826 Y N 2.332 122.667 120.300 0.059 0.000 2.053 826 Y HA -0.301 4.247 4.550 -0.004 0.000 0.277 826 Y C 2.575 178.516 175.900 0.068 0.000 1.159 826 Y CA 2.056 60.166 58.100 0.017 0.000 1.125 826 Y CB -0.743 37.726 38.460 0.016 0.000 0.969 826 Y HN 0.271 nan 8.280 nan 0.000 0.492 827 Q N -0.819 119.087 119.800 0.175 0.000 2.045 827 Q HA -0.239 4.098 4.340 -0.004 0.000 0.206 827 Q C 2.184 178.259 176.000 0.124 0.000 0.991 827 Q CA 2.611 58.469 55.803 0.092 0.000 0.851 827 Q CB -0.510 28.202 28.738 -0.043 0.000 0.911 827 Q HN 0.487 nan 8.270 nan 0.000 0.418 828 T N 0.887 115.522 114.554 0.134 0.000 2.580 828 T HA -0.269 4.078 4.350 -0.004 0.000 0.265 828 T C 1.883 176.688 174.700 0.175 0.000 1.063 828 T CA 1.629 63.891 62.100 0.271 0.000 1.170 828 T CB -0.568 68.453 68.868 0.254 0.000 0.863 828 T HN 0.482 nan 8.240 nan 0.000 0.418 829 A N 0.368 123.193 122.820 0.007 0.000 1.917 829 A HA -0.176 4.142 4.320 -0.004 0.000 0.219 829 A C 2.097 179.557 177.584 -0.207 0.000 1.182 829 A CA 2.137 54.078 52.037 -0.161 0.000 0.633 829 A CB -1.232 17.657 19.000 -0.185 0.000 0.819 829 A HN 0.687 nan 8.150 nan 0.000 0.448 830 Y N 0.511 120.612 120.300 -0.331 0.000 2.128 830 Y HA -0.233 4.314 4.550 -0.004 0.000 0.284 830 Y C 2.351 178.251 175.900 0.001 0.000 1.154 830 Y CA 2.132 60.080 58.100 -0.253 0.000 1.149 830 Y CB -0.321 37.932 38.460 -0.346 0.000 0.976 830 Y HN 0.085 nan 8.280 nan 0.000 0.505 831 V N 1.129 121.258 119.914 0.360 0.000 2.255 831 V HA -0.375 3.742 4.120 -0.004 0.000 0.247 831 V C 2.430 178.591 176.094 0.111 0.000 1.051 831 V CA 2.481 65.026 62.300 0.409 0.000 1.018 831 V CB -0.801 31.356 31.823 0.555 0.000 0.641 831 V HN 0.400 nan 8.190 nan 0.000 0.445 832 K N -0.032 120.203 120.400 -0.274 0.000 2.152 832 K HA -0.203 4.115 4.320 -0.004 0.000 0.206 832 K C 2.110 178.451 176.600 -0.432 0.000 1.048 832 K CA 1.560 57.407 56.287 -0.734 0.000 0.933 832 K CB -0.272 31.426 32.500 -1.337 0.000 0.721 832 K HN 0.459 nan 8.250 nan 0.000 0.447 833 A N 0.495 123.064 122.820 -0.417 0.000 1.873 833 A HA -0.142 4.175 4.320 -0.004 0.000 0.215 833 A C 1.784 179.001 177.584 -0.612 0.000 1.186 833 A CA 1.295 53.020 52.037 -0.520 0.000 0.616 833 A CB -0.537 18.081 19.000 -0.636 0.000 0.823 833 A HN 0.386 nan 8.150 nan 0.000 0.442 834 H N -3.411 115.366 119.070 -0.490 0.000 2.553 834 H HA 0.151 4.705 4.556 -0.004 0.000 0.276 834 H C -0.342 174.508 175.328 -0.798 0.000 0.979 834 H CA 0.712 56.344 56.048 -0.693 0.000 1.268 834 H CB 0.306 29.499 29.762 -0.948 0.000 1.450 834 H HN 0.582 nan 8.280 nan 0.000 0.527 835 Y N 1.104 121.403 120.300 -0.000 0.000 2.511 835 Y HA 0.219 4.767 4.550 -0.004 0.000 0.356 835 Y C -1.807 174.126 175.900 0.055 0.000 1.002 835 Y CA -1.949 56.173 58.100 0.037 0.000 1.127 835 Y CB 1.228 39.732 38.460 0.073 0.000 1.137 835 Y HN 0.055 nan 8.280 nan 0.000 0.652 836 P HA -0.148 nan 4.420 nan 0.000 0.217 836 P C 1.430 178.825 177.300 0.158 0.000 1.150 836 P CA 1.202 64.341 63.100 0.065 0.000 0.832 836 P CB 0.666 32.350 31.700 -0.025 0.000 0.787 837 V N 2.132 122.122 119.914 0.126 0.000 2.283 837 V HA -0.190 3.928 4.120 -0.004 0.000 0.243 837 V C 2.846 178.999 176.094 0.100 0.000 1.039 837 V CA 2.127 64.486 62.300 0.098 0.000 1.016 837 V CB -1.265 30.601 31.823 0.072 0.000 0.650 837 V HN 0.162 nan 8.190 nan 0.000 0.449 838 E N 0.282 120.555 120.200 0.123 0.000 2.085 838 E HA -0.290 4.058 4.350 -0.004 0.000 0.194 838 E C 2.171 178.811 176.600 0.066 0.000 0.994 838 E CA 1.595 58.035 56.400 0.066 0.000 0.801 838 E CB -0.912 28.815 29.700 0.045 0.000 0.743 838 E HN 0.537 nan 8.360 nan 0.000 0.453 839 F N 1.618 121.587 119.950 0.033 0.000 2.063 839 F HA -0.285 4.239 4.527 -0.004 0.000 0.298 839 F C 2.660 178.492 175.800 0.052 0.000 1.109 839 F CA 2.408 60.458 58.000 0.084 0.000 1.212 839 F CB -0.287 38.794 39.000 0.135 0.000 0.973 839 F HN 0.000 nan 8.300 nan 0.000 0.480 840 M N 0.311 119.981 119.600 0.117 0.000 2.175 840 M HA -0.038 4.440 4.480 -0.004 0.000 0.264 840 M C 2.149 178.299 176.300 -0.251 0.000 1.063 840 M CA 1.903 57.159 55.300 -0.073 0.000 1.119 840 M CB -0.608 32.005 32.600 0.020 0.000 1.377 840 M HN 0.193 nan 8.290 nan 0.000 0.415 841 A N -0.539 122.166 122.820 -0.192 0.000 2.015 841 A HA 0.097 4.415 4.320 -0.004 0.000 0.219 841 A C 2.248 179.641 177.584 -0.319 0.000 1.163 841 A CA 1.644 53.514 52.037 -0.277 0.000 0.646 841 A CB -1.101 17.828 19.000 -0.118 0.000 0.806 841 A HN 0.597 nan 8.150 nan 0.000 0.448 842 A N -0.430 122.220 122.820 -0.284 0.000 1.930 842 A HA 0.123 4.440 4.320 -0.004 0.000 0.215 842 A C 2.093 179.528 177.584 -0.249 0.000 1.176 842 A CA 1.071 52.912 52.037 -0.327 0.000 0.632 842 A CB -0.467 18.181 19.000 -0.587 0.000 0.819 842 A HN 0.432 nan 8.150 nan 0.000 0.445 843 L N -0.598 120.466 121.223 -0.266 0.000 2.042 843 L HA -0.200 4.138 4.340 -0.004 0.000 0.210 843 L C 2.568 179.035 176.870 -0.672 0.000 1.076 843 L CA 1.107 55.627 54.840 -0.533 0.000 0.749 843 L CB -0.424 41.029 42.059 -1.011 0.000 0.893 843 L HN 0.400 nan 8.230 nan 0.000 0.432 844 L N -1.345 119.477 121.223 -0.669 0.000 1.994 844 L HA -0.244 4.093 4.340 -0.004 0.000 0.208 844 L C 2.834 179.389 176.870 -0.524 0.000 1.071 844 L CA 1.501 55.898 54.840 -0.738 0.000 0.745 844 L CB -0.606 40.614 42.059 -1.398 0.000 0.892 844 L HN 0.222 nan 8.230 nan 0.000 0.431 845 S N -0.419 115.035 115.700 -0.409 0.000 2.372 845 S HA -0.209 4.259 4.470 -0.004 0.000 0.227 845 S C 1.964 176.556 174.600 -0.014 0.000 1.044 845 S CA 1.822 60.019 58.200 -0.004 0.000 1.050 845 S CB -0.290 62.914 63.200 0.008 0.000 0.901 845 S HN 0.195 nan 8.310 nan 0.000 0.447 846 V N 1.528 121.413 119.914 -0.048 0.000 2.490 846 V HA -0.036 4.082 4.120 -0.004 0.000 0.250 846 V C 1.426 177.546 176.094 0.044 0.000 1.061 846 V CA 1.705 64.016 62.300 0.019 0.000 1.064 846 V CB -0.496 31.373 31.823 0.077 0.000 0.670 846 V HN 0.552 nan 8.190 nan 0.000 0.461 847 E N -0.134 120.093 120.200 0.044 0.000 2.815 847 E HA 0.097 4.445 4.350 -0.004 0.000 0.211 847 E C 1.574 178.224 176.600 0.083 0.000 1.004 847 E CA -0.260 56.204 56.400 0.106 0.000 1.173 847 E CB 0.218 30.051 29.700 0.222 0.000 1.163 847 E HN 0.649 nan 8.360 nan 0.000 0.449 848 R N 0.209 120.708 120.500 -0.001 0.000 2.193 848 R HA -0.085 4.253 4.340 -0.004 0.000 0.229 848 R C 1.016 177.287 176.300 -0.048 0.000 1.110 848 R CA 1.094 57.202 56.100 0.014 0.000 0.988 848 R CB -0.231 30.070 30.300 0.002 0.000 0.871 848 R HN 0.185 nan 8.270 nan 0.000 0.458 849 H N 0.016 119.165 119.070 0.130 0.000 2.539 849 H HA 0.129 4.683 4.556 -0.004 0.000 0.267 849 H C -0.340 175.036 175.328 0.080 0.000 0.982 849 H CA 0.098 56.204 56.048 0.096 0.000 1.146 849 H CB 0.138 29.947 29.762 0.078 0.000 1.382 849 H HN 0.238 nan 8.280 nan 0.000 0.577 850 D N 0.456 120.954 120.400 0.164 0.000 2.412 850 D HA 0.103 4.741 4.640 -0.004 0.000 0.224 850 D C 0.711 177.064 176.300 0.088 0.000 1.093 850 D CA -0.140 53.924 54.000 0.108 0.000 0.850 850 D CB 1.162 42.012 40.800 0.083 0.000 1.046 850 D HN -0.073 nan 8.370 nan 0.000 0.507 851 S N 2.687 118.432 115.700 0.075 0.000 2.382 851 S HA -0.141 4.326 4.470 -0.004 0.000 0.228 851 S C 1.206 175.829 174.600 0.038 0.000 1.027 851 S CA 0.761 58.998 58.200 0.062 0.000 0.991 851 S CB 0.169 63.389 63.200 0.034 0.000 0.823 851 S HN 0.557 nan 8.310 nan 0.000 0.469 852 D N 1.146 121.554 120.400 0.014 0.000 2.097 852 D HA -0.038 4.599 4.640 -0.004 0.000 0.197 852 D C 2.084 178.344 176.300 -0.066 0.000 0.984 852 D CA 0.918 54.909 54.000 -0.015 0.000 0.826 852 D CB -0.116 40.670 40.800 -0.022 0.000 0.973 852 D HN 0.196 nan 8.370 nan 0.000 0.460 853 K N 0.666 121.011 120.400 -0.092 0.000 2.025 853 K HA -0.048 4.269 4.320 -0.004 0.000 0.207 853 K C 2.296 178.771 176.600 -0.210 0.000 1.049 853 K CA 0.306 56.441 56.287 -0.253 0.000 0.933 853 K CB -0.712 31.681 32.500 -0.179 0.000 0.714 853 K HN 0.060 nan 8.250 nan 0.000 0.438 854 V N 1.845 121.771 119.914 0.020 0.000 2.282 854 V HA -0.307 3.811 4.120 -0.004 0.000 0.249 854 V C 2.525 178.681 176.094 0.104 0.000 1.057 854 V CA 2.128 64.503 62.300 0.125 0.000 1.032 854 V CB -0.820 31.123 31.823 0.199 0.000 0.645 854 V HN 0.341 nan 8.190 nan 0.000 0.447 855 A N -0.816 122.049 122.820 0.074 0.000 1.892 855 A HA -0.315 4.002 4.320 -0.004 0.000 0.218 855 A C 2.316 179.920 177.584 0.034 0.000 1.188 855 A CA 2.233 54.319 52.037 0.081 0.000 0.631 855 A CB -0.605 18.438 19.000 0.072 0.000 0.822 855 A HN 0.630 nan 8.150 nan 0.000 0.447 856 E N -1.101 119.059 120.200 -0.067 0.000 2.031 856 E HA -0.225 4.123 4.350 -0.004 0.000 0.193 856 E C 1.900 178.453 176.600 -0.078 0.000 0.994 856 E CA 1.606 57.928 56.400 -0.130 0.000 0.800 856 E CB -0.307 29.223 29.700 -0.283 0.000 0.752 856 E HN 0.797 nan 8.360 nan 0.000 0.447 857 Y N 0.455 120.744 120.300 -0.019 0.000 2.207 857 Y HA -0.196 4.352 4.550 -0.004 0.000 0.287 857 Y C 2.435 178.312 175.900 -0.039 0.000 1.156 857 Y CA 0.643 58.713 58.100 -0.050 0.000 1.182 857 Y CB -0.052 38.340 38.460 -0.114 0.000 0.979 857 Y HN 0.104 nan 8.280 nan 0.000 0.521 858 I N 0.507 121.159 120.570 0.137 0.000 2.179 858 I HA -0.329 3.839 4.170 -0.004 0.000 0.242 858 I C 2.600 178.774 176.117 0.095 0.000 1.088 858 I CA 1.705 63.071 61.300 0.109 0.000 1.357 858 I CB -0.389 37.704 38.000 0.155 0.000 1.051 858 I HN 0.242 nan 8.210 nan 0.000 0.409 859 R N 0.630 121.179 120.500 0.082 0.000 2.189 859 R HA -0.142 4.196 4.340 -0.004 0.000 0.223 859 R C 1.366 177.699 176.300 0.055 0.000 1.092 859 R CA 1.544 57.681 56.100 0.061 0.000 0.989 859 R CB -0.460 29.867 30.300 0.044 0.000 0.876 859 R HN 0.259 nan 8.270 nan 0.000 0.457 860 D N 1.549 121.992 120.400 0.072 0.000 2.097 860 D HA -0.047 4.590 4.640 -0.004 0.000 0.197 860 D C 2.003 178.347 176.300 0.073 0.000 0.984 860 D CA 1.831 55.879 54.000 0.080 0.000 0.826 860 D CB -0.260 40.618 40.800 0.131 0.000 0.973 860 D HN 0.392 nan 8.370 nan 0.000 0.460 861 A N 1.108 123.974 122.820 0.076 0.000 1.898 861 A HA -0.150 4.167 4.320 -0.004 0.000 0.216 861 A C 2.155 179.769 177.584 0.049 0.000 1.181 861 A CA 1.077 53.148 52.037 0.057 0.000 0.620 861 A CB -0.258 18.767 19.000 0.041 0.000 0.819 861 A HN 0.045 nan 8.150 nan 0.000 0.442 862 R N -0.322 120.210 120.500 0.053 0.000 2.092 862 R HA -0.022 4.315 4.340 -0.004 0.000 0.231 862 R C 1.571 177.892 176.300 0.036 0.000 1.119 862 R CA 1.171 57.300 56.100 0.048 0.000 0.970 862 R CB -0.711 29.622 30.300 0.056 0.000 0.864 862 R HN 0.441 nan 8.270 nan 0.000 0.440 863 A N 0.718 123.559 122.820 0.034 0.000 2.840 863 A HA 0.186 4.504 4.320 -0.004 0.000 0.269 863 A C 0.991 178.588 177.584 0.023 0.000 1.439 863 A CA 0.103 52.154 52.037 0.024 0.000 1.083 863 A CB -0.157 18.856 19.000 0.021 0.000 1.019 863 A HN 0.210 nan 8.150 nan 0.000 0.607 864 L N -2.820 118.418 121.223 0.025 0.000 3.689 864 L HA 0.393 4.731 4.340 -0.004 0.000 0.344 864 L C 1.180 178.059 176.870 0.015 0.000 1.221 864 L CA 1.251 56.103 54.840 0.020 0.000 1.171 864 L CB 0.521 42.598 42.059 0.030 0.000 1.540 864 L HN 0.669 nan 8.230 nan 0.000 0.631 865 G N 0.489 109.300 108.800 0.018 0.000 2.213 865 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.226 865 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.226 865 G C 0.328 175.241 174.900 0.022 0.000 0.992 865 G CA 0.137 45.246 45.100 0.016 0.000 0.632 865 G HN 0.213 nan 8.290 nan 0.000 0.511 866 I N 3.640 124.227 120.570 0.028 0.000 2.312 866 I HA 0.333 4.500 4.170 -0.004 0.000 0.291 866 I C -1.853 174.288 176.117 0.040 0.000 1.031 866 I CA -2.176 59.144 61.300 0.033 0.000 1.293 866 I CB 1.304 39.325 38.000 0.036 0.000 1.403 866 I HN -0.068 nan 8.210 nan 0.000 0.484 867 P HA 0.162 nan 4.420 nan 0.000 0.280 867 P C -0.648 176.693 177.300 0.070 0.000 1.244 867 P CA -0.210 62.923 63.100 0.054 0.000 0.784 867 P CB 1.556 33.285 31.700 0.048 0.000 0.913 868 V N 5.124 125.094 119.914 0.095 0.000 2.334 868 V HA 0.303 4.421 4.120 -0.004 0.000 0.281 868 V C 0.452 176.663 176.094 0.196 0.000 1.016 868 V CA -0.507 61.875 62.300 0.137 0.000 0.832 868 V CB 1.001 32.910 31.823 0.142 0.000 0.999 868 V HN 0.385 nan 8.190 nan 0.000 0.439 869 L N 6.798 128.148 121.223 0.212 0.000 2.331 869 L HA 0.574 4.912 4.340 -0.004 0.000 0.275 869 L C -2.329 174.711 176.870 0.284 0.000 1.022 869 L CA -2.028 52.926 54.840 0.191 0.000 0.812 869 L CB 1.886 44.014 42.059 0.116 0.000 1.257 869 L HN 0.368 nan 8.230 nan 0.000 0.435 870 P HA 0.089 nan 4.420 nan 0.000 0.271 870 P C -2.482 174.841 177.300 0.039 0.000 1.233 870 P CA -0.820 62.286 63.100 0.011 0.000 0.789 870 P CB -0.282 31.379 31.700 -0.066 0.000 0.951 871 P HA 0.134 nan 4.420 nan 0.000 0.274 871 P C -1.096 176.178 177.300 -0.044 0.000 1.260 871 P CA 0.385 63.482 63.100 -0.006 0.000 0.793 871 P CB 0.393 32.057 31.700 -0.059 0.000 1.048 872 D N -1.282 119.098 120.400 -0.033 0.000 2.738 872 D HA 0.136 4.774 4.640 -0.004 0.000 0.218 872 D C 0.888 177.181 176.300 -0.012 0.000 1.345 872 D CA -0.716 53.248 54.000 -0.060 0.000 0.943 872 D CB 1.003 41.772 40.800 -0.051 0.000 1.514 872 D HN 0.036 nan 8.370 nan 0.000 0.585 873 V N 1.994 121.890 119.914 -0.031 0.000 2.546 873 V HA -0.136 3.982 4.120 -0.004 0.000 0.254 873 V C 1.348 177.611 176.094 0.283 0.000 1.076 873 V CA 1.401 63.765 62.300 0.106 0.000 1.087 873 V CB -0.605 31.215 31.823 -0.006 0.000 0.674 873 V HN 0.576 nan 8.190 nan 0.000 0.470 874 N N 0.527 119.340 118.700 0.189 0.000 2.395 874 N HA 0.083 4.821 4.740 -0.004 0.000 0.175 874 N C 1.960 177.541 175.510 0.118 0.000 1.029 874 N CA 1.147 54.317 53.050 0.201 0.000 0.897 874 N CB 0.172 38.742 38.487 0.140 0.000 0.991 874 N HN 0.585 nan 8.380 nan 0.000 0.441 875 R N -0.482 120.066 120.500 0.080 0.000 2.310 875 R HA 0.288 4.626 4.340 -0.004 0.000 0.199 875 R C 0.330 176.667 176.300 0.063 0.000 0.891 875 R CA -0.105 56.031 56.100 0.061 0.000 1.060 875 R CB 0.354 30.677 30.300 0.039 0.000 1.188 875 R HN -0.120 nan 8.270 nan 0.000 0.607 876 S N 0.762 116.499 115.700 0.062 0.000 2.560 876 S HA 0.233 4.701 4.470 -0.004 0.000 0.284 876 S C 0.497 175.141 174.600 0.073 0.000 1.327 876 S CA -0.103 58.130 58.200 0.053 0.000 1.055 876 S CB 1.233 64.452 63.200 0.032 0.000 0.868 876 S HN 0.380 nan 8.310 nan 0.000 0.506 877 G N 0.624 109.462 108.800 0.065 0.000 2.531 877 G HA2 0.447 4.404 3.960 -0.004 0.000 0.281 877 G HA3 0.447 4.404 3.960 -0.004 0.000 0.281 877 G C 0.347 175.315 174.900 0.114 0.000 1.382 877 G CA -0.569 44.590 45.100 0.100 0.000 1.045 877 G HN 0.608 nan 8.290 nan 0.000 0.533 878 F N -0.573 119.383 119.950 0.010 0.000 2.113 878 F HA 0.101 4.625 4.527 -0.004 0.000 0.297 878 F C 1.175 176.955 175.800 -0.033 0.000 1.103 878 F CA 1.431 59.432 58.000 0.002 0.000 1.248 878 F CB 0.263 39.270 39.000 0.012 0.000 0.999 878 F HN 0.284 nan 8.300 nan 0.000 0.475 879 D N -1.527 118.917 120.400 0.073 0.000 2.595 879 D HA 0.161 4.798 4.640 -0.004 0.000 0.268 879 D C -0.856 175.375 176.300 -0.114 0.000 1.181 879 D CA -0.566 53.402 54.000 -0.054 0.000 1.085 879 D CB 0.621 41.493 40.800 0.121 0.000 1.186 879 D HN -0.156 nan 8.370 nan 0.000 0.621 880 F N 1.020 120.920 119.950 -0.085 0.000 2.607 880 F HA 0.095 4.620 4.527 -0.005 0.000 0.374 880 F C 1.199 176.957 175.800 -0.071 0.000 1.104 880 F CA 0.742 58.666 58.000 -0.127 0.000 1.296 880 F CB 0.476 39.356 39.000 -0.199 0.000 1.085 880 F HN -0.087 nan 8.300 nan 0.000 0.584 881 K N 2.109 122.587 120.400 0.130 0.000 2.469 881 K HA 0.627 4.944 4.320 -0.004 0.000 0.254 881 K C -1.856 174.785 176.600 0.068 0.000 0.939 881 K CA -0.778 55.554 56.287 0.076 0.000 0.812 881 K CB 2.012 34.545 32.500 0.055 0.000 1.301 881 K HN 0.348 nan 8.250 nan 0.000 0.433 882 V N 3.880 123.821 119.914 0.045 0.000 2.318 882 V HA 0.279 4.396 4.120 -0.004 0.000 0.271 882 V C -0.537 175.580 176.094 0.039 0.000 1.030 882 V CA -0.838 61.486 62.300 0.041 0.000 0.844 882 V CB 1.193 33.037 31.823 0.034 0.000 1.015 882 V HN 0.448 nan 8.190 nan 0.000 0.460 883 V N 5.415 125.355 119.914 0.042 0.000 2.347 883 V HA 0.741 4.858 4.120 -0.004 0.000 0.280 883 V C 1.214 177.330 176.094 0.036 0.000 1.021 883 V CA 0.739 63.061 62.300 0.037 0.000 0.847 883 V CB 0.323 32.169 31.823 0.038 0.000 0.990 883 V HN 1.115 nan 8.190 nan 0.000 0.444 884 G N 4.983 113.803 108.800 0.033 0.000 3.181 884 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.322 884 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.322 884 G C 0.443 175.365 174.900 0.037 0.000 1.246 884 G CA 0.628 45.747 45.100 0.033 0.000 0.989 884 G HN 0.622 nan 8.290 nan 0.000 0.607 885 E N 2.499 122.721 120.200 0.036 0.000 3.191 885 E HA 0.318 4.665 4.350 -0.004 0.000 0.192 885 E C -0.043 176.580 176.600 0.038 0.000 0.972 885 E CA 0.222 56.645 56.400 0.037 0.000 1.266 885 E CB 0.684 30.403 29.700 0.031 0.000 1.076 885 E HN 0.756 nan 8.360 nan 0.000 0.462 886 E N 0.136 120.361 120.200 0.042 0.000 2.312 886 E HA 0.546 4.894 4.350 -0.004 0.000 0.267 886 E C -0.243 176.388 176.600 0.052 0.000 0.894 886 E CA -0.801 55.627 56.400 0.046 0.000 0.773 886 E CB 2.409 32.138 29.700 0.048 0.000 1.241 886 E HN -0.029 nan 8.360 nan 0.000 0.432 887 I N 2.136 122.739 120.570 0.056 0.000 2.353 887 I HA 0.248 4.415 4.170 -0.004 0.000 0.293 887 I C -0.993 175.189 176.117 0.109 0.000 0.992 887 I CA -0.797 60.541 61.300 0.064 0.000 1.268 887 I CB 0.796 38.805 38.000 0.015 0.000 1.387 887 I HN 0.187 nan 8.210 nan 0.000 0.478 888 L N 7.621 128.919 121.223 0.126 0.000 2.376 888 L HA 0.514 4.851 4.340 -0.004 0.000 0.275 888 L C -0.705 176.236 176.870 0.118 0.000 0.987 888 L CA -0.255 54.667 54.840 0.137 0.000 0.828 888 L CB 1.067 43.180 42.059 0.091 0.000 1.249 888 L HN 0.252 nan 8.230 nan 0.000 0.409 889 F N 2.635 122.587 119.950 0.003 0.000 2.628 889 F HA 0.336 4.861 4.527 -0.004 0.000 0.362 889 F C 1.545 177.152 175.800 -0.322 0.000 1.148 889 F CA 1.513 59.340 58.000 -0.289 0.000 1.352 889 F CB 0.613 39.484 39.000 -0.214 0.000 1.081 889 F HN 0.639 nan 8.300 nan 0.000 0.605 890 G N 2.957 111.554 108.800 -0.338 0.000 2.580 890 G HA2 0.339 4.296 3.960 -0.004 0.000 0.278 890 G HA3 0.339 4.296 3.960 -0.004 0.000 0.278 890 G C 0.636 175.416 174.900 -0.200 0.000 1.212 890 G CA -0.704 44.245 45.100 -0.252 0.000 0.939 890 G HN 0.720 nan 8.290 nan 0.000 0.513 891 L N 0.424 121.525 121.223 -0.204 0.000 2.270 891 L HA -0.027 4.310 4.340 -0.004 0.000 0.210 891 L C 3.044 179.756 176.870 -0.262 0.000 1.104 891 L CA 1.229 55.971 54.840 -0.163 0.000 0.804 891 L CB -0.173 41.854 42.059 -0.053 0.000 0.937 891 L HN 0.656 nan 8.230 nan 0.000 0.450 892 S N 0.219 115.595 115.700 -0.540 0.000 2.469 892 S HA -0.107 4.360 4.470 -0.004 0.000 0.238 892 S C 2.011 176.434 174.600 -0.295 0.000 0.998 892 S CA 0.748 58.590 58.200 -0.596 0.000 0.957 892 S CB -0.277 62.140 63.200 -1.305 0.000 0.764 892 S HN 0.342 nan 8.310 nan 0.000 0.514 893 A N 1.172 123.843 122.820 -0.249 0.000 2.119 893 A HA 0.340 4.658 4.320 -0.004 0.000 0.217 893 A C 0.974 178.495 177.584 -0.104 0.000 1.153 893 A CA 0.346 52.311 52.037 -0.120 0.000 0.692 893 A CB -0.540 18.452 19.000 -0.013 0.000 0.799 893 A HN 0.424 nan 8.150 nan 0.000 0.458 894 V N 1.100 120.939 119.914 -0.125 0.000 2.614 894 V HA 0.063 4.180 4.120 -0.004 0.000 0.291 894 V C 1.255 177.309 176.094 -0.068 0.000 1.049 894 V CA -0.428 61.807 62.300 -0.108 0.000 1.038 894 V CB 1.115 32.875 31.823 -0.105 0.000 0.980 894 V HN 0.328 nan 8.190 nan 0.000 0.481 895 K N 2.938 123.302 120.400 -0.059 0.000 2.025 895 K HA -0.053 4.265 4.320 -0.004 0.000 0.207 895 K C 1.405 177.994 176.600 -0.018 0.000 1.049 895 K CA 1.339 57.606 56.287 -0.033 0.000 0.933 895 K CB -0.067 32.413 32.500 -0.034 0.000 0.714 895 K HN 0.615 nan 8.250 nan 0.000 0.438 896 N N 0.318 119.005 118.700 -0.022 0.000 2.392 896 N HA -0.015 4.722 4.740 -0.004 0.000 0.177 896 N C 0.060 175.570 175.510 -0.000 0.000 1.066 896 N CA 0.057 53.102 53.050 -0.009 0.000 0.895 896 N CB 0.334 38.813 38.487 -0.013 0.000 0.988 896 N HN -0.139 nan 8.380 nan 0.000 0.457 897 V N 1.903 121.814 119.914 -0.004 0.000 2.493 897 V HA 0.111 4.228 4.120 -0.004 0.000 0.292 897 V C 1.538 177.648 176.094 0.026 0.000 1.016 897 V CA -0.198 62.109 62.300 0.012 0.000 1.097 897 V CB 0.154 31.978 31.823 0.003 0.000 0.947 897 V HN 0.179 nan 8.190 nan 0.000 0.479 898 G N 3.508 112.334 108.800 0.042 0.000 2.647 898 G HA2 0.052 4.010 3.960 -0.004 0.000 0.271 898 G HA3 0.052 4.010 3.960 -0.004 0.000 0.271 898 G C 0.719 175.675 174.900 0.094 0.000 1.300 898 G CA 0.218 45.353 45.100 0.059 0.000 0.997 898 G HN 0.833 nan 8.290 nan 0.000 0.533 899 E N -1.124 119.151 120.200 0.124 0.000 2.216 899 E HA 0.006 4.354 4.350 -0.004 0.000 0.192 899 E C 2.552 179.265 176.600 0.189 0.000 0.973 899 E CA 0.055 56.585 56.400 0.216 0.000 0.851 899 E CB -0.022 29.813 29.700 0.224 0.000 0.804 899 E HN 0.533 nan 8.360 nan 0.000 0.477 900 M N 0.481 120.147 119.600 0.110 0.000 2.159 900 M HA -0.100 4.377 4.480 -0.004 0.000 0.263 900 M C 2.453 178.806 176.300 0.088 0.000 1.063 900 M CA 1.485 56.832 55.300 0.078 0.000 1.110 900 M CB -0.187 32.443 32.600 0.050 0.000 1.374 900 M HN 0.188 nan 8.290 nan 0.000 0.411 901 A N 0.602 123.477 122.820 0.092 0.000 1.898 901 A HA -0.008 4.309 4.320 -0.004 0.000 0.216 901 A C 2.424 180.082 177.584 0.123 0.000 1.181 901 A CA 1.846 53.935 52.037 0.087 0.000 0.620 901 A CB -0.913 18.130 19.000 0.072 0.000 0.819 901 A HN 0.474 nan 8.150 nan 0.000 0.442 902 A N -0.322 122.595 122.820 0.163 0.000 1.883 902 A HA -0.187 4.130 4.320 -0.004 0.000 0.217 902 A C 2.246 179.989 177.584 0.265 0.000 1.186 902 A CA 1.890 54.053 52.037 0.210 0.000 0.624 902 A CB -0.469 18.663 19.000 0.221 0.000 0.822 902 A HN 0.495 nan 8.150 nan 0.000 0.444 903 R N -0.628 120.027 120.500 0.259 0.000 2.081 903 R HA -0.046 4.292 4.340 -0.004 0.000 0.235 903 R C 2.471 178.839 176.300 0.113 0.000 1.131 903 R CA 1.344 57.535 56.100 0.152 0.000 0.960 903 R CB -0.505 29.816 30.300 0.035 0.000 0.856 903 R HN 0.524 nan 8.270 nan 0.000 0.436 904 A N 0.981 123.859 122.820 0.097 0.000 1.873 904 A HA -0.231 4.087 4.320 -0.004 0.000 0.218 904 A C 2.130 179.776 177.584 0.103 0.000 1.193 904 A CA 1.782 53.863 52.037 0.074 0.000 0.629 904 A CB -0.749 18.282 19.000 0.051 0.000 0.826 904 A HN 0.270 nan 8.150 nan 0.000 0.447 905 I N -0.416 120.236 120.570 0.137 0.000 2.118 905 I HA -0.325 3.842 4.170 -0.004 0.000 0.241 905 I C 2.470 178.760 176.117 0.289 0.000 1.070 905 I CA 1.619 63.049 61.300 0.217 0.000 1.327 905 I CB -0.424 37.721 38.000 0.242 0.000 1.034 905 I HN 0.317 nan 8.210 nan 0.000 0.405 906 L N -0.034 121.324 121.223 0.225 0.000 2.046 906 L HA -0.204 4.133 4.340 -0.004 0.000 0.208 906 L C 2.633 179.574 176.870 0.119 0.000 1.077 906 L CA 1.187 56.140 54.840 0.188 0.000 0.747 906 L CB -0.649 41.514 42.059 0.173 0.000 0.896 906 L HN 0.241 nan 8.230 nan 0.000 0.432 907 E N -0.192 120.063 120.200 0.092 0.000 2.107 907 E HA -0.221 4.126 4.350 -0.004 0.000 0.191 907 E C 2.017 178.635 176.600 0.030 0.000 0.982 907 E CA 0.913 57.341 56.400 0.046 0.000 0.809 907 E CB -0.110 29.609 29.700 0.031 0.000 0.756 907 E HN 0.382 nan 8.360 nan 0.000 0.459 908 E N 1.471 121.703 120.200 0.055 0.000 2.106 908 E HA -0.146 4.201 4.350 -0.004 0.000 0.192 908 E C 2.024 178.581 176.600 -0.071 0.000 0.984 908 E CA 1.053 57.467 56.400 0.024 0.000 0.806 908 E CB -0.097 29.654 29.700 0.085 0.000 0.750 908 E HN 0.071 nan 8.360 nan 0.000 0.458 909 R N -0.099 120.366 120.500 -0.058 0.000 2.235 909 R HA -0.069 4.269 4.340 -0.004 0.000 0.213 909 R C 1.225 177.447 176.300 -0.130 0.000 1.059 909 R CA 1.080 57.032 56.100 -0.246 0.000 0.997 909 R CB 0.130 30.387 30.300 -0.073 0.000 0.884 909 R HN 0.131 nan 8.270 nan 0.000 0.462 910 E N 0.278 120.447 120.200 -0.052 0.000 2.190 910 E HA -0.106 4.241 4.350 -0.004 0.000 0.191 910 E C 1.889 178.463 176.600 -0.043 0.000 0.978 910 E CA 0.757 57.136 56.400 -0.035 0.000 0.839 910 E CB 0.159 29.855 29.700 -0.007 0.000 0.787 910 E HN 0.506 nan 8.360 nan 0.000 0.473 911 R N 0.595 121.067 120.500 -0.047 0.000 2.090 911 R HA 0.135 4.473 4.340 -0.004 0.000 0.219 911 R C 1.349 177.616 176.300 -0.055 0.000 1.100 911 R CA 1.033 57.108 56.100 -0.041 0.000 0.991 911 R CB -0.475 29.808 30.300 -0.029 0.000 0.893 911 R HN -0.048 nan 8.270 nan 0.000 0.443 912 G N 0.084 108.834 108.800 -0.084 0.000 2.547 912 G HA2 0.475 4.432 3.960 -0.004 0.000 0.291 912 G HA3 0.475 4.432 3.960 -0.004 0.000 0.291 912 G C -0.141 174.674 174.900 -0.141 0.000 1.211 912 G CA -0.439 44.600 45.100 -0.103 0.000 0.950 912 G HN 0.354 nan 8.290 nan 0.000 0.504 913 G N -0.434 108.287 108.800 -0.132 0.000 2.486 913 G HA2 0.515 4.473 3.960 -0.004 0.000 0.272 913 G HA3 0.515 4.473 3.960 -0.004 0.000 0.272 913 G C -2.121 172.648 174.900 -0.218 0.000 1.426 913 G CA -0.694 44.331 45.100 -0.125 0.000 1.058 913 G HN 0.589 nan 8.290 nan 0.000 0.531 914 P HA 0.150 nan 4.420 nan 0.000 0.271 914 P C -0.708 176.553 177.300 -0.066 0.000 1.218 914 P CA -0.149 62.888 63.100 -0.105 0.000 0.780 914 P CB 0.425 32.142 31.700 0.028 0.000 0.901 915 F N 1.761 121.847 119.950 0.227 0.000 2.538 915 F HA 0.061 4.586 4.527 -0.003 0.000 0.371 915 F C 1.978 177.961 175.800 0.305 0.000 1.087 915 F CA 0.281 58.460 58.000 0.299 0.000 1.250 915 F CB 0.167 39.476 39.000 0.515 0.000 1.110 915 F HN 0.182 nan 8.300 nan 0.000 0.570 916 K N 1.158 121.753 120.400 0.325 0.000 2.211 916 K HA 0.069 4.387 4.320 -0.004 0.000 0.201 916 K C 0.440 177.112 176.600 0.121 0.000 1.052 916 K CA 0.732 57.145 56.287 0.211 0.000 0.973 916 K CB 0.110 32.680 32.500 0.116 0.000 0.766 916 K HN 0.744 nan 8.250 nan 0.000 0.466 917 S N -1.500 114.091 115.700 -0.181 0.000 2.661 917 S HA 0.182 4.649 4.470 -0.004 0.000 0.268 917 S C 0.454 174.401 174.600 -1.087 0.000 1.162 917 S CA -0.795 57.007 58.200 -0.664 0.000 0.817 917 S CB 0.473 63.512 63.200 -0.269 0.000 1.141 917 S HN -0.072 nan 8.310 nan 0.000 0.477 918 L N 1.857 122.485 121.223 -0.993 0.000 2.046 918 L HA 0.248 4.585 4.340 -0.004 0.000 0.208 918 L C 2.307 179.066 176.870 -0.184 0.000 1.077 918 L CA 2.768 57.266 54.840 -0.570 0.000 0.747 918 L CB -1.324 40.551 42.059 -0.306 0.000 0.896 918 L HN 1.001 nan 8.230 nan 0.000 0.432 919 G N -1.079 107.611 108.800 -0.184 0.000 2.421 919 G HA2 -0.363 3.594 3.960 -0.004 0.000 0.216 919 G HA3 -0.363 3.594 3.960 -0.004 0.000 0.216 919 G C 1.348 176.375 174.900 0.213 0.000 1.171 919 G CA 0.883 45.967 45.100 -0.026 0.000 0.775 919 G HN 0.478 nan 8.290 nan 0.000 0.543 920 D N -0.368 120.099 120.400 0.111 0.000 2.158 920 D HA -0.162 4.476 4.640 -0.004 0.000 0.197 920 D C 1.996 178.454 176.300 0.262 0.000 0.995 920 D CA 0.669 54.782 54.000 0.187 0.000 0.846 920 D CB -0.322 40.567 40.800 0.148 0.000 0.941 920 D HN 0.252 nan 8.370 nan 0.000 0.456 921 F N 0.340 120.316 119.950 0.043 0.000 2.113 921 F HA -0.003 4.521 4.527 -0.005 0.000 0.297 921 F C 2.082 177.893 175.800 0.019 0.000 1.103 921 F CA 1.102 59.088 58.000 -0.024 0.000 1.248 921 F CB -0.129 38.695 39.000 -0.294 0.000 0.999 921 F HN -0.033 nan 8.300 nan 0.000 0.475 922 L N 0.550 121.888 121.223 0.192 0.000 2.156 922 L HA -0.175 4.162 4.340 -0.004 0.000 0.208 922 L C 2.452 179.363 176.870 0.069 0.000 1.095 922 L CA 1.539 56.461 54.840 0.138 0.000 0.770 922 L CB -0.688 41.505 42.059 0.224 0.000 0.914 922 L HN 0.180 nan 8.230 nan 0.000 0.439 923 K N -0.318 120.147 120.400 0.108 0.000 2.167 923 K HA -0.066 4.251 4.320 -0.004 0.000 0.203 923 K C 2.099 178.691 176.600 -0.014 0.000 1.052 923 K CA 0.550 56.841 56.287 0.007 0.000 0.956 923 K CB -0.128 32.357 32.500 -0.025 0.000 0.735 923 K HN 0.168 nan 8.250 nan 0.000 0.451 924 R N 0.628 121.134 120.500 0.010 0.000 2.090 924 R HA 0.128 4.465 4.340 -0.004 0.000 0.228 924 R C 0.389 176.655 176.300 -0.058 0.000 1.110 924 R CA 0.651 56.753 56.100 0.003 0.000 0.973 924 R CB -0.096 30.262 30.300 0.096 0.000 0.869 924 R HN 0.185 nan 8.270 nan 0.000 0.440 925 L N 3.142 124.272 121.223 -0.155 0.000 2.337 925 L HA 0.336 4.673 4.340 -0.004 0.000 0.269 925 L C -2.185 174.614 176.870 -0.118 0.000 1.018 925 L CA -2.178 52.550 54.840 -0.187 0.000 0.876 925 L CB 1.627 43.440 42.059 -0.410 0.000 1.236 925 L HN -0.115 nan 8.230 nan 0.000 0.436 926 P HA -0.055 nan 4.420 nan 0.000 0.270 926 P C 0.415 177.699 177.300 -0.027 0.000 1.227 926 P CA -0.124 62.950 63.100 -0.042 0.000 0.788 926 P CB 1.084 32.762 31.700 -0.036 0.000 0.926 927 E N 0.521 120.714 120.200 -0.011 0.000 2.265 927 E HA -0.203 4.145 4.350 -0.004 0.000 0.196 927 E C 1.665 178.265 176.600 0.000 0.000 0.996 927 E CA 0.966 57.367 56.400 0.003 0.000 0.832 927 E CB 0.106 29.811 29.700 0.009 0.000 0.756 927 E HN 0.361 nan 8.360 nan 0.000 0.491 928 Q N -0.254 119.542 119.800 -0.007 0.000 2.152 928 Q HA -0.166 4.171 4.340 -0.004 0.000 0.206 928 Q C 2.233 178.233 176.000 -0.001 0.000 0.985 928 Q CA 1.458 57.258 55.803 -0.005 0.000 0.863 928 Q CB -0.144 28.588 28.738 -0.010 0.000 0.904 928 Q HN 0.282 nan 8.270 nan 0.000 0.422 929 V N -0.323 119.588 119.914 -0.005 0.000 2.490 929 V HA -0.007 4.111 4.120 -0.004 0.000 0.238 929 V C 1.025 177.126 176.094 0.011 0.000 1.056 929 V CA 0.559 62.859 62.300 0.001 0.000 1.075 929 V CB 0.487 32.304 31.823 -0.010 0.000 0.746 929 V HN -0.040 nan 8.190 nan 0.000 0.479 930 V N 3.764 123.681 119.914 0.006 0.000 2.240 930 V HA 0.313 4.430 4.120 -0.004 0.000 0.265 930 V C -0.036 176.080 176.094 0.036 0.000 1.073 930 V CA -0.953 61.366 62.300 0.032 0.000 0.857 930 V CB -0.023 31.830 31.823 0.050 0.000 1.114 930 V HN 0.762 nan 8.190 nan 0.000 0.469 931 N N 2.911 121.628 118.700 0.029 0.000 2.297 931 N HA 0.037 4.775 4.740 -0.004 0.000 0.232 931 N C 1.091 176.617 175.510 0.026 0.000 1.311 931 N CA -0.286 52.778 53.050 0.023 0.000 0.897 931 N CB 0.791 39.287 38.487 0.016 0.000 1.137 931 N HN 0.416 nan 8.380 nan 0.000 0.449 932 K N -0.125 120.287 120.400 0.019 0.000 2.063 932 K HA -0.247 4.071 4.320 -0.004 0.000 0.208 932 K C 1.962 178.563 176.600 0.001 0.000 1.048 932 K CA 1.281 57.576 56.287 0.014 0.000 0.928 932 K CB -0.106 32.400 32.500 0.010 0.000 0.713 932 K HN 0.587 nan 8.250 nan 0.000 0.442 933 R N 0.656 121.155 120.500 -0.001 0.000 2.083 933 R HA -0.140 4.197 4.340 -0.004 0.000 0.237 933 R C 1.999 178.292 176.300 -0.012 0.000 1.137 933 R CA 1.900 57.994 56.100 -0.010 0.000 0.951 933 R CB -0.696 29.602 30.300 -0.005 0.000 0.851 933 R HN 0.280 nan 8.270 nan 0.000 0.434 934 A N 0.685 123.506 122.820 0.003 0.000 1.865 934 A HA -0.137 4.180 4.320 -0.004 0.000 0.217 934 A C 2.299 179.885 177.584 0.004 0.000 1.191 934 A CA 1.745 53.787 52.037 0.008 0.000 0.623 934 A CB -0.828 18.189 19.000 0.029 0.000 0.826 934 A HN 0.382 nan 8.150 nan 0.000 0.444 935 L N -0.673 120.563 121.223 0.022 0.000 2.043 935 L HA -0.288 4.050 4.340 -0.004 0.000 0.212 935 L C 2.640 179.485 176.870 -0.042 0.000 1.075 935 L CA 1.994 56.844 54.840 0.016 0.000 0.752 935 L CB -0.640 41.446 42.059 0.045 0.000 0.891 935 L HN 0.500 nan 8.230 nan 0.000 0.432 936 E N -0.554 119.615 120.200 -0.052 0.000 2.031 936 E HA -0.192 4.155 4.350 -0.004 0.000 0.193 936 E C 2.345 178.873 176.600 -0.119 0.000 0.994 936 E CA 1.542 57.885 56.400 -0.096 0.000 0.800 936 E CB -0.067 29.574 29.700 -0.098 0.000 0.752 936 E HN 0.351 nan 8.360 nan 0.000 0.447 937 S N 0.894 116.539 115.700 -0.091 0.000 2.359 937 S HA -0.169 4.299 4.470 -0.004 0.000 0.224 937 S C 1.890 176.429 174.600 -0.102 0.000 1.035 937 S CA 0.745 58.890 58.200 -0.092 0.000 1.018 937 S CB -0.274 62.887 63.200 -0.065 0.000 0.876 937 S HN 0.103 nan 8.310 nan 0.000 0.448 938 L N 1.664 122.831 121.223 -0.092 0.000 2.043 938 L HA -0.106 4.231 4.340 -0.004 0.000 0.212 938 L C 2.258 179.044 176.870 -0.140 0.000 1.075 938 L CA 1.489 56.261 54.840 -0.112 0.000 0.752 938 L CB -0.882 41.115 42.059 -0.103 0.000 0.891 938 L HN 0.149 nan 8.230 nan 0.000 0.432 939 V N -0.713 119.120 119.914 -0.135 0.000 2.261 939 V HA -0.320 3.797 4.120 -0.004 0.000 0.246 939 V C 2.467 178.489 176.094 -0.119 0.000 1.047 939 V CA 1.946 64.168 62.300 -0.129 0.000 1.015 939 V CB -0.602 31.148 31.823 -0.121 0.000 0.642 939 V HN 0.441 nan 8.190 nan 0.000 0.446 940 K N 0.288 120.608 120.400 -0.132 0.000 2.147 940 K HA -0.123 4.194 4.320 -0.004 0.000 0.205 940 K C 2.222 178.780 176.600 -0.070 0.000 1.049 940 K CA 1.392 57.618 56.287 -0.101 0.000 0.936 940 K CB -0.382 32.039 32.500 -0.132 0.000 0.722 940 K HN 0.492 nan 8.250 nan 0.000 0.446 941 A N 0.387 123.142 122.820 -0.108 0.000 1.969 941 A HA 0.024 4.341 4.320 -0.004 0.000 0.218 941 A C 1.673 179.175 177.584 -0.135 0.000 1.169 941 A CA 1.555 53.507 52.037 -0.141 0.000 0.635 941 A CB -0.389 18.510 19.000 -0.168 0.000 0.810 941 A HN 0.446 nan 8.150 nan 0.000 0.445 942 G N -2.792 105.937 108.800 -0.118 0.000 2.148 942 G HA2 0.069 4.027 3.960 -0.004 0.000 0.203 942 G HA3 0.069 4.027 3.960 -0.004 0.000 0.203 942 G C 0.980 175.798 174.900 -0.137 0.000 0.993 942 G CA 0.794 45.828 45.100 -0.111 0.000 0.661 942 G HN 1.351 nan 8.290 nan 0.000 0.518 943 A N -0.541 122.188 122.820 -0.153 0.000 2.119 943 A HA 0.511 4.828 4.320 -0.004 0.000 0.217 943 A C 1.914 179.352 177.584 -0.243 0.000 1.153 943 A CA 1.630 53.566 52.037 -0.169 0.000 0.692 943 A CB -0.122 18.786 19.000 -0.153 0.000 0.799 943 A HN 0.912 nan 8.150 nan 0.000 0.458 944 L N -1.128 119.943 121.223 -0.254 0.000 2.959 944 L HA 0.185 4.522 4.340 -0.004 0.000 0.259 944 L C 0.551 177.226 176.870 -0.325 0.000 1.185 944 L CA -0.166 54.482 54.840 -0.320 0.000 0.998 944 L CB 0.406 42.361 42.059 -0.174 0.000 1.337 944 L HN 0.016 nan 8.230 nan 0.000 0.555 945 D N 1.439 121.686 120.400 -0.255 0.000 2.311 945 D HA -0.145 4.492 4.640 -0.004 0.000 0.212 945 D C 2.121 178.277 176.300 -0.241 0.000 0.972 945 D CA 1.132 55.021 54.000 -0.186 0.000 0.887 945 D CB 0.221 40.945 40.800 -0.128 0.000 0.915 945 D HN 0.334 nan 8.370 nan 0.000 0.497 946 A N -0.772 121.776 122.820 -0.453 0.000 2.248 946 A HA -0.046 4.271 4.320 -0.004 0.000 0.210 946 A C 1.234 178.556 177.584 -0.437 0.000 1.174 946 A CA 0.430 52.175 52.037 -0.487 0.000 0.750 946 A CB -0.713 17.917 19.000 -0.615 0.000 0.780 946 A HN 0.275 nan 8.150 nan 0.000 0.478 947 F N -1.546 118.375 119.950 -0.048 0.000 2.682 947 F HA 0.444 4.968 4.527 -0.005 0.000 0.308 947 F C 1.395 177.168 175.800 -0.045 0.000 1.093 947 F CA 0.246 58.218 58.000 -0.047 0.000 1.244 947 F CB 0.650 39.607 39.000 -0.071 0.000 1.052 947 F HN 0.417 nan 8.300 nan 0.000 0.573 948 G N 0.529 109.373 108.800 0.073 0.000 2.306 948 G HA2 -0.162 3.795 3.960 -0.004 0.000 0.262 948 G HA3 -0.162 3.795 3.960 -0.004 0.000 0.262 948 G C -1.709 173.198 174.900 0.012 0.000 1.263 948 G CA -1.049 44.074 45.100 0.038 0.000 1.088 948 G HN 0.020 nan 8.290 nan 0.000 0.489 949 D N 0.179 120.585 120.400 0.009 0.000 2.425 949 D HA 0.393 5.030 4.640 -0.004 0.000 0.247 949 D C 1.858 178.158 176.300 0.001 0.000 1.147 949 D CA 0.029 54.031 54.000 0.003 0.000 0.879 949 D CB 0.752 41.554 40.800 0.004 0.000 1.179 949 D HN 0.497 nan 8.370 nan 0.000 0.456 950 R N 2.927 123.426 120.500 -0.002 0.000 2.070 950 R HA -0.119 4.218 4.340 -0.004 0.000 0.233 950 R C 2.011 178.305 176.300 -0.008 0.000 1.137 950 R CA 1.346 57.440 56.100 -0.009 0.000 0.945 950 R CB -0.404 29.896 30.300 0.000 0.000 0.845 950 R HN 0.555 nan 8.270 nan 0.000 0.430 951 A N 1.144 123.972 122.820 0.014 0.000 1.940 951 A HA -0.208 4.110 4.320 -0.004 0.000 0.219 951 A C 2.150 179.734 177.584 -0.000 0.000 1.176 951 A CA 1.425 53.473 52.037 0.019 0.000 0.631 951 A CB -0.451 18.572 19.000 0.038 0.000 0.814 951 A HN 0.218 nan 8.150 nan 0.000 0.446 952 R N -0.747 119.751 120.500 -0.002 0.000 2.092 952 R HA 0.027 4.364 4.340 -0.004 0.000 0.231 952 R C 1.995 178.284 176.300 -0.018 0.000 1.119 952 R CA 1.167 57.262 56.100 -0.009 0.000 0.970 952 R CB -0.316 29.980 30.300 -0.006 0.000 0.864 952 R HN 0.557 nan 8.270 nan 0.000 0.440 953 L N 0.320 121.533 121.223 -0.018 0.000 2.056 953 L HA -0.182 4.155 4.340 -0.004 0.000 0.207 953 L C 2.285 179.131 176.870 -0.040 0.000 1.078 953 L CA 1.070 55.895 54.840 -0.025 0.000 0.749 953 L CB -0.336 41.712 42.059 -0.018 0.000 0.901 953 L HN 0.232 nan 8.230 nan 0.000 0.433 954 L N -0.436 120.757 121.223 -0.051 0.000 2.046 954 L HA -0.202 4.136 4.340 -0.004 0.000 0.208 954 L C 2.846 179.690 176.870 -0.045 0.000 1.077 954 L CA 1.267 56.067 54.840 -0.068 0.000 0.747 954 L CB -0.634 41.364 42.059 -0.101 0.000 0.896 954 L HN 0.244 nan 8.230 nan 0.000 0.432 955 A N -1.033 121.769 122.820 -0.031 0.000 1.898 955 A HA -0.163 4.155 4.320 -0.004 0.000 0.216 955 A C 2.418 179.990 177.584 -0.021 0.000 1.181 955 A CA 1.821 53.846 52.037 -0.020 0.000 0.620 955 A CB -0.557 18.435 19.000 -0.013 0.000 0.819 955 A HN 0.361 nan 8.150 nan 0.000 0.442 956 S N -0.006 115.678 115.700 -0.027 0.000 2.469 956 S HA -0.029 4.439 4.470 -0.004 0.000 0.238 956 S C 1.658 176.245 174.600 -0.023 0.000 0.998 956 S CA 0.781 58.960 58.200 -0.034 0.000 0.957 956 S CB -0.443 62.727 63.200 -0.050 0.000 0.764 956 S HN 0.501 nan 8.310 nan 0.000 0.514 957 L N 1.189 122.403 121.223 -0.015 0.000 1.943 957 L HA -0.155 4.182 4.340 -0.004 0.000 0.215 957 L C 2.816 179.700 176.870 0.024 0.000 1.074 957 L CA 1.620 56.461 54.840 0.002 0.000 0.759 957 L CB -0.578 41.476 42.059 -0.007 0.000 0.888 957 L HN 0.333 nan 8.230 nan 0.000 0.433 958 E N -0.255 119.955 120.200 0.018 0.000 2.110 958 E HA -0.198 4.150 4.350 -0.004 0.000 0.193 958 E C -0.388 176.239 176.600 0.045 0.000 0.988 958 E CA 1.277 57.694 56.400 0.029 0.000 0.804 958 E CB -0.683 29.029 29.700 0.018 0.000 0.745 958 E HN 0.359 nan 8.360 nan 0.000 0.458 959 P HA -0.140 nan 4.420 nan 0.000 0.215 959 P C 1.420 178.781 177.300 0.102 0.000 1.153 959 P CA 1.111 64.242 63.100 0.051 0.000 0.853 959 P CB -0.066 31.643 31.700 0.015 0.000 0.788 960 L N -1.933 119.340 121.223 0.084 0.000 2.240 960 L HA -0.068 4.270 4.340 -0.004 0.000 0.211 960 L C 2.349 179.386 176.870 0.279 0.000 1.106 960 L CA 0.697 55.635 54.840 0.164 0.000 0.793 960 L CB -0.632 41.447 42.059 0.033 0.000 0.927 960 L HN -0.050 nan 8.230 nan 0.000 0.446 961 L N -0.770 120.550 121.223 0.161 0.000 2.056 961 L HA -0.170 4.168 4.340 -0.004 0.000 0.207 961 L C 2.806 179.743 176.870 0.111 0.000 1.078 961 L CA 1.225 56.140 54.840 0.126 0.000 0.749 961 L CB -0.381 41.723 42.059 0.075 0.000 0.901 961 L HN 0.156 nan 8.230 nan 0.000 0.433 962 R N -1.061 119.506 120.500 0.112 0.000 2.083 962 R HA -0.252 4.085 4.340 -0.004 0.000 0.237 962 R C 2.094 178.464 176.300 0.118 0.000 1.137 962 R CA 2.182 58.337 56.100 0.092 0.000 0.951 962 R CB -0.662 29.690 30.300 0.088 0.000 0.851 962 R HN 0.425 nan 8.270 nan 0.000 0.434 963 W N 1.383 122.682 121.300 -0.003 0.000 2.333 963 W HA -0.247 4.410 4.660 -0.005 0.000 0.316 963 W C 2.259 178.777 176.519 -0.002 0.000 1.215 963 W CA 2.059 59.403 57.345 -0.003 0.000 1.278 963 W CB -0.453 29.004 29.460 -0.005 0.000 1.154 963 W HN 0.105 nan 8.180 nan 0.000 0.486 964 A N 0.739 123.545 122.820 -0.024 0.000 1.902 964 A HA -0.056 4.261 4.320 -0.004 0.000 0.217 964 A C 2.108 179.538 177.584 -0.257 0.000 1.181 964 A CA 2.632 54.487 52.037 -0.303 0.000 0.623 964 A CB -1.589 17.430 19.000 0.031 0.000 0.818 964 A HN 0.514 nan 8.150 nan 0.000 0.443 965 A N -0.369 122.381 122.820 -0.117 0.000 1.972 965 A HA -0.146 4.172 4.320 -0.004 0.000 0.219 965 A C 1.884 179.391 177.584 -0.128 0.000 1.169 965 A CA 1.639 53.619 52.037 -0.095 0.000 0.635 965 A CB -0.438 18.539 19.000 -0.039 0.000 0.810 965 A HN 0.642 nan 8.150 nan 0.000 0.446 966 E N -0.939 119.166 120.200 -0.158 0.000 2.216 966 E HA -0.074 4.273 4.350 -0.004 0.000 0.192 966 E C 1.908 178.377 176.600 -0.219 0.000 0.988 966 E CA 1.223 57.532 56.400 -0.151 0.000 0.834 966 E CB -0.128 29.509 29.700 -0.106 0.000 0.772 966 E HN 0.604 nan 8.360 nan 0.000 0.479 967 T N 0.871 115.199 114.554 -0.377 0.000 2.708 967 T HA -0.127 4.220 4.350 -0.004 0.000 0.266 967 T C 1.759 176.326 174.700 -0.221 0.000 1.037 967 T CA 1.047 62.917 62.100 -0.384 0.000 1.146 967 T CB -0.122 68.363 68.868 -0.638 0.000 0.865 967 T HN 0.120 nan 8.240 nan 0.000 0.435 968 R N 1.014 121.398 120.500 -0.193 0.000 2.120 968 R HA -0.030 4.307 4.340 -0.004 0.000 0.234 968 R C 2.526 178.773 176.300 -0.089 0.000 1.123 968 R CA 1.144 57.172 56.100 -0.121 0.000 0.975 968 R CB -0.191 30.048 30.300 -0.102 0.000 0.866 968 R HN 0.542 nan 8.270 nan 0.000 0.446 969 E N 0.523 120.669 120.200 -0.090 0.000 2.051 969 E HA -0.188 4.160 4.350 -0.004 0.000 0.192 969 E C 2.090 178.659 176.600 -0.052 0.000 0.991 969 E CA 1.147 57.510 56.400 -0.062 0.000 0.799 969 E CB 0.012 29.678 29.700 -0.057 0.000 0.748 969 E HN 0.328 nan 8.360 nan 0.000 0.449 970 R N -0.058 120.405 120.500 -0.061 0.000 2.090 970 R HA -0.044 4.293 4.340 -0.004 0.000 0.228 970 R C 2.502 178.782 176.300 -0.033 0.000 1.110 970 R CA 1.007 57.084 56.100 -0.038 0.000 0.973 970 R CB -0.387 29.893 30.300 -0.034 0.000 0.869 970 R HN 0.169 nan 8.270 nan 0.000 0.440 971 G N 1.367 110.137 108.800 -0.050 0.000 2.418 971 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.217 971 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.217 971 G C 1.256 176.135 174.900 -0.034 0.000 1.158 971 G CA 0.204 45.280 45.100 -0.041 0.000 0.771 971 G HN 0.237 nan 8.290 nan 0.000 0.545 972 R N 0.178 120.655 120.500 -0.039 0.000 2.555 972 R HA 0.292 4.630 4.340 -0.004 0.000 0.272 972 R C 0.670 176.952 176.300 -0.029 0.000 1.089 972 R CA 0.171 56.252 56.100 -0.033 0.000 1.126 972 R CB 0.280 30.560 30.300 -0.034 0.000 1.250 972 R HN 0.221 nan 8.270 nan 0.000 0.551 973 S N -0.136 115.547 115.700 -0.028 0.000 2.901 973 S HA 0.322 4.790 4.470 -0.004 0.000 0.248 973 S C 0.515 175.099 174.600 -0.028 0.000 1.021 973 S CA 0.176 58.361 58.200 -0.026 0.000 1.090 973 S CB 0.210 63.396 63.200 -0.024 0.000 1.039 973 S HN 0.648 nan 8.310 nan 0.000 0.514 974 G N 2.031 110.814 108.800 -0.029 0.000 2.509 974 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.256 974 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.256 974 G C -0.348 174.537 174.900 -0.026 0.000 1.152 974 G CA -0.455 44.624 45.100 -0.035 0.000 0.951 974 G HN 1.440 nan 8.290 nan 0.000 0.559 975 L N -1.241 119.959 121.223 -0.039 0.000 2.975 975 L HA -0.202 4.135 4.340 -0.004 0.000 0.550 975 L C 1.896 178.796 176.870 0.051 0.000 1.001 975 L CA 0.487 55.327 54.840 0.001 0.000 1.291 975 L CB -1.312 40.775 42.059 0.048 0.000 1.434 975 L HN 0.963 nan 8.230 nan 0.000 0.696 976 V N 2.384 122.357 119.914 0.097 0.000 2.245 976 V HA -0.079 4.038 4.120 -0.004 0.000 0.233 976 V C 1.743 177.911 176.094 0.124 0.000 1.028 976 V CA 2.316 64.688 62.300 0.120 0.000 0.991 976 V CB -0.507 31.418 31.823 0.170 0.000 0.640 976 V HN 1.062 nan 8.190 nan 0.000 0.461 977 G N -2.272 106.630 108.800 0.171 0.000 2.293 977 G HA2 0.177 4.134 3.960 -0.004 0.000 0.180 977 G HA3 0.177 4.134 3.960 -0.004 0.000 0.180 977 G C 1.113 176.044 174.900 0.051 0.000 1.517 977 G CA 0.118 45.271 45.100 0.088 0.000 0.645 977 G HN 0.302 nan 8.290 nan 0.000 1.119 978 L N -0.035 121.197 121.223 0.015 0.000 2.249 978 L HA 0.300 4.637 4.340 -0.004 0.000 0.207 978 L C 2.191 178.929 176.870 -0.219 0.000 1.090 978 L CA 0.618 55.358 54.840 -0.166 0.000 0.802 978 L CB -0.206 41.638 42.059 -0.359 0.000 0.947 978 L HN 0.131 nan 8.230 nan 0.000 0.453 979 F N -0.081 119.873 119.950 0.007 0.000 2.558 979 F HA 0.059 4.583 4.527 -0.004 0.000 0.298 979 F C 2.183 177.980 175.800 -0.004 0.000 1.119 979 F CA 0.665 58.667 58.000 0.003 0.000 1.451 979 F CB -0.347 38.653 39.000 -0.001 0.000 1.091 979 F HN -0.032 nan 8.300 nan 0.000 0.563 980 A N -0.810 122.103 122.820 0.156 0.000 2.348 980 A HA 0.245 4.563 4.320 -0.004 0.000 0.224 980 A C 0.304 177.896 177.584 0.013 0.000 1.227 980 A CA 0.069 52.146 52.037 0.067 0.000 0.885 980 A CB -0.066 18.964 19.000 0.050 0.000 0.933 980 A HN 0.238 nan 8.150 nan 0.000 0.506 981 E N -0.300 119.918 120.200 0.030 0.000 2.317 981 E HA 0.262 4.610 4.350 -0.004 0.000 0.270 981 E C -1.731 174.921 176.600 0.086 0.000 0.899 981 E CA -0.287 56.142 56.400 0.050 0.000 0.814 981 E CB 2.294 32.033 29.700 0.065 0.000 1.296 981 E HN -0.007 nan 8.360 nan 0.000 0.404 982 V N 4.686 124.685 119.914 0.141 0.000 2.267 982 V HA 0.112 4.229 4.120 -0.004 0.000 0.254 982 V C 0.102 176.359 176.094 0.273 0.000 1.144 982 V CA -0.024 62.371 62.300 0.158 0.000 0.992 982 V CB 0.405 32.312 31.823 0.140 0.000 1.199 982 V HN 0.652 nan 8.190 nan 0.000 0.493 983 E N 4.362 124.679 120.200 0.195 0.000 2.568 983 E HA -0.035 4.313 4.350 -0.004 0.000 0.262 983 E C 0.388 177.019 176.600 0.051 0.000 0.961 983 E CA 0.193 56.726 56.400 0.222 0.000 0.945 983 E CB 0.447 30.213 29.700 0.111 0.000 0.924 983 E HN 0.918 nan 8.360 nan 0.000 0.467 984 E N 4.618 124.722 120.200 -0.160 0.000 3.417 984 E HA -0.121 4.226 4.350 -0.004 0.000 0.279 984 E C -1.987 174.303 176.600 -0.516 0.000 0.851 984 E CA -0.697 55.153 56.400 -0.917 0.000 0.980 984 E CB -0.351 28.727 29.700 -1.038 0.000 0.934 984 E HN 0.201 nan 8.360 nan 0.000 0.541 985 P HA 0.093 nan 4.420 nan 0.000 0.271 985 P C -2.067 175.087 177.300 -0.243 0.000 1.244 985 P CA -1.052 61.877 63.100 -0.285 0.000 0.793 985 P CB -0.329 31.223 31.700 -0.246 0.000 0.984 986 P HA 0.071 nan 4.420 nan 0.000 0.274 986 P C -0.253 176.974 177.300 -0.120 0.000 1.264 986 P CA -0.315 62.714 63.100 -0.119 0.000 0.795 986 P CB 0.276 31.930 31.700 -0.077 0.000 1.064 987 L N 0.919 122.089 121.223 -0.089 0.000 2.369 987 L HA 0.066 4.404 4.340 -0.004 0.000 0.279 987 L C -0.068 176.769 176.870 -0.055 0.000 1.108 987 L CA -0.227 54.569 54.840 -0.074 0.000 0.852 987 L CB 0.023 42.053 42.059 -0.048 0.000 1.169 987 L HN 0.041 nan 8.230 nan 0.000 0.452 988 V N 5.824 125.704 119.914 -0.056 0.000 2.539 988 V HA -0.081 4.036 4.120 -0.004 0.000 0.300 988 V C 0.840 176.919 176.094 -0.026 0.000 1.019 988 V CA 0.054 62.331 62.300 -0.039 0.000 1.160 988 V CB -0.420 31.383 31.823 -0.034 0.000 0.901 988 V HN 0.705 nan 8.190 nan 0.000 0.481 989 E N 3.180 123.367 120.200 -0.020 0.000 2.383 989 E HA 0.604 4.951 4.350 -0.004 0.000 0.264 989 E C 0.060 176.656 176.600 -0.007 0.000 1.050 989 E CA 0.060 56.452 56.400 -0.013 0.000 0.896 989 E CB 1.258 30.951 29.700 -0.012 0.000 0.982 989 E HN 0.880 nan 8.360 nan 0.000 0.424 990 A N 1.996 124.814 122.820 -0.003 0.000 2.597 990 A HA 0.342 4.660 4.320 -0.004 0.000 0.292 990 A C -0.760 176.828 177.584 0.006 0.000 1.057 990 A CA -0.678 51.361 52.037 0.003 0.000 0.674 990 A CB 1.702 20.705 19.000 0.005 0.000 1.278 990 A HN 0.427 nan 8.150 nan 0.000 0.416 991 S N 1.048 116.754 115.700 0.010 0.000 2.549 991 S HA 0.509 4.976 4.470 -0.004 0.000 0.283 991 S C -2.173 172.436 174.600 0.015 0.000 1.320 991 S CA -0.709 57.498 58.200 0.011 0.000 1.058 991 S CB -0.154 63.052 63.200 0.011 0.000 0.882 991 S HN 0.452 nan 8.310 nan 0.000 0.498 992 P HA 0.097 nan 4.420 nan 0.000 0.266 992 P C -0.683 176.630 177.300 0.022 0.000 1.195 992 P CA -0.051 63.059 63.100 0.016 0.000 0.768 992 P CB 0.258 31.963 31.700 0.010 0.000 0.838 993 L N 3.038 124.280 121.223 0.032 0.000 2.456 993 L HA 0.102 4.439 4.340 -0.004 0.000 0.272 993 L C 1.307 178.185 176.870 0.013 0.000 1.189 993 L CA -0.225 54.638 54.840 0.037 0.000 0.846 993 L CB -0.042 42.061 42.059 0.072 0.000 1.111 993 L HN 0.503 nan 8.230 nan 0.000 0.475 994 D N 1.881 122.280 120.400 -0.001 0.000 2.358 994 D HA 0.001 4.638 4.640 -0.004 0.000 0.244 994 D C 0.435 176.717 176.300 -0.031 0.000 1.163 994 D CA -0.482 53.510 54.000 -0.014 0.000 0.945 994 D CB 1.174 41.966 40.800 -0.013 0.000 1.152 994 D HN 0.550 nan 8.370 nan 0.000 0.451 995 E N -0.168 120.008 120.200 -0.039 0.000 2.051 995 E HA -0.138 4.209 4.350 -0.004 0.000 0.192 995 E C 2.114 178.660 176.600 -0.090 0.000 0.991 995 E CA 0.855 57.218 56.400 -0.062 0.000 0.799 995 E CB -0.052 29.604 29.700 -0.073 0.000 0.748 995 E HN 0.502 nan 8.360 nan 0.000 0.449 996 I N 0.478 120.995 120.570 -0.088 0.000 2.127 996 I HA -0.307 3.860 4.170 -0.004 0.000 0.241 996 I C 2.736 178.775 176.117 -0.130 0.000 1.075 996 I CA 1.346 62.586 61.300 -0.101 0.000 1.334 996 I CB -0.421 37.554 38.000 -0.040 0.000 1.040 996 I HN 0.148 nan 8.210 nan 0.000 0.405 997 T N 0.215 114.679 114.554 -0.150 0.000 2.867 997 T HA -0.164 4.184 4.350 -0.004 0.000 0.268 997 T C 1.847 176.336 174.700 -0.352 0.000 1.057 997 T CA 1.087 63.008 62.100 -0.297 0.000 1.136 997 T CB -0.086 68.629 68.868 -0.253 0.000 0.874 997 T HN 0.224 nan 8.240 nan 0.000 0.466 998 M N 0.102 119.625 119.600 -0.127 0.000 2.099 998 M HA 0.009 4.486 4.480 -0.004 0.000 0.262 998 M C 2.026 178.332 176.300 0.010 0.000 1.067 998 M CA 1.542 56.840 55.300 -0.003 0.000 1.124 998 M CB -0.318 32.292 32.600 0.016 0.000 1.353 998 M HN 0.290 nan 8.290 nan 0.000 0.410 999 L N -0.403 120.802 121.223 -0.029 0.000 2.083 999 L HA -0.208 4.130 4.340 -0.004 0.000 0.209 999 L C 2.688 179.649 176.870 0.151 0.000 1.083 999 L CA 1.159 56.017 54.840 0.030 0.000 0.752 999 L CB -0.652 41.321 42.059 -0.144 0.000 0.899 999 L HN 0.367 nan 8.230 nan 0.000 0.433 1000 R N -0.548 119.959 120.500 0.010 0.000 2.083 1000 R HA -0.210 4.127 4.340 -0.004 0.000 0.237 1000 R C 2.347 178.655 176.300 0.014 0.000 1.137 1000 R CA 1.804 57.900 56.100 -0.008 0.000 0.951 1000 R CB -0.385 29.801 30.300 -0.190 0.000 0.851 1000 R HN 0.320 nan 8.270 nan 0.000 0.434 1001 Y N 0.455 120.766 120.300 0.019 0.000 2.181 1001 Y HA -0.199 4.348 4.550 -0.005 0.000 0.288 1001 Y C 2.464 178.340 175.900 -0.039 0.000 1.146 1001 Y CA 1.047 59.138 58.100 -0.015 0.000 1.164 1001 Y CB -0.005 38.444 38.460 -0.019 0.000 0.982 1001 Y HN 0.234 nan 8.280 nan 0.000 0.515 1002 E N 0.570 120.850 120.200 0.134 0.000 2.065 1002 E HA -0.297 4.051 4.350 -0.004 0.000 0.201 1002 E C 2.138 178.701 176.600 -0.062 0.000 1.016 1002 E CA 1.403 57.816 56.400 0.023 0.000 0.818 1002 E CB -0.227 29.499 29.700 0.044 0.000 0.749 1002 E HN 0.357 nan 8.360 nan 0.000 0.453 1003 K N 0.990 121.328 120.400 -0.104 0.000 2.032 1003 K HA -0.227 4.090 4.320 -0.004 0.000 0.209 1003 K C 2.169 178.675 176.600 -0.157 0.000 1.048 1003 K CA 1.427 57.539 56.287 -0.291 0.000 0.927 1003 K CB -0.100 32.048 32.500 -0.586 0.000 0.712 1003 K HN 0.087 nan 8.250 nan 0.000 0.441 1004 E N -0.364 119.800 120.200 -0.060 0.000 2.160 1004 E HA -0.191 4.156 4.350 -0.004 0.000 0.195 1004 E C 1.443 178.022 176.600 -0.034 0.000 0.991 1004 E CA 1.169 57.559 56.400 -0.017 0.000 0.810 1004 E CB -0.002 29.736 29.700 0.064 0.000 0.742 1004 E HN 0.409 nan 8.360 nan 0.000 0.466 1005 A N -0.105 122.686 122.820 -0.049 0.000 2.044 1005 A HA 0.158 4.475 4.320 -0.004 0.000 0.213 1005 A C 1.762 179.279 177.584 -0.112 0.000 1.169 1005 A CA 0.180 52.173 52.037 -0.074 0.000 0.724 1005 A CB 0.294 19.246 19.000 -0.080 0.000 0.840 1005 A HN 0.275 nan 8.150 nan 0.000 0.463 1006 L N -2.405 118.733 121.223 -0.142 0.000 2.966 1006 L HA 0.306 4.644 4.340 -0.004 0.000 0.262 1006 L C 1.654 178.455 176.870 -0.115 0.000 1.165 1006 L CA 0.539 55.269 54.840 -0.183 0.000 0.978 1006 L CB 0.689 42.542 42.059 -0.343 0.000 1.337 1006 L HN 0.513 nan 8.230 nan 0.000 0.563 1007 G N 1.804 110.537 108.800 -0.112 0.000 2.396 1007 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.242 1007 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.242 1007 G C 0.305 175.110 174.900 -0.159 0.000 1.069 1007 G CA 0.606 45.650 45.100 -0.094 0.000 0.633 1007 G HN 0.382 nan 8.290 nan 0.000 0.517 1008 I N -2.944 117.527 120.570 -0.165 0.000 3.002 1008 I HA 0.807 4.974 4.170 -0.004 0.000 0.310 1008 I C -0.107 175.858 176.117 -0.255 0.000 1.087 1008 I CA -2.207 58.980 61.300 -0.189 0.000 1.017 1008 I CB 1.275 39.290 38.000 0.024 0.000 1.226 1008 I HN 0.001 nan 8.210 nan 0.000 0.443 1009 Y N 2.242 122.525 120.300 -0.027 0.000 2.304 1009 Y HA 0.613 5.160 4.550 -0.005 0.000 0.328 1009 Y C -0.028 175.871 175.900 -0.003 0.000 1.123 1009 Y CA -0.711 57.359 58.100 -0.050 0.000 1.218 1009 Y CB 1.447 39.851 38.460 -0.094 0.000 1.207 1009 Y HN 0.252 nan 8.280 nan 0.000 0.495 1010 V N 2.577 122.569 119.914 0.131 0.000 2.540 1010 V HA 0.349 4.466 4.120 -0.004 0.000 0.302 1010 V C -0.194 175.950 176.094 0.084 0.000 1.035 1010 V CA -1.085 61.278 62.300 0.105 0.000 0.873 1010 V CB 1.555 33.393 31.823 0.025 0.000 0.992 1010 V HN 0.888 nan 8.190 nan 0.000 0.428 1011 S N 3.770 119.522 115.700 0.087 0.000 3.590 1011 S HA 0.126 4.594 4.470 -0.004 0.000 0.527 1011 S C 0.093 174.708 174.600 0.024 0.000 0.745 1011 S CA 1.044 59.274 58.200 0.051 0.000 1.392 1011 S CB -1.090 62.131 63.200 0.035 0.000 0.906 1011 S HN 2.894 nan 8.310 nan 0.000 0.760 1012 G N 2.294 111.105 108.800 0.020 0.000 2.555 1012 G HA2 0.229 4.187 3.960 -0.004 0.000 0.686 1012 G HA3 0.229 4.187 3.960 -0.004 0.000 0.686 1012 G C -0.916 173.947 174.900 -0.061 0.000 1.275 1012 G CA 0.101 45.184 45.100 -0.028 0.000 0.871 1012 G HN 1.954 nan 8.290 nan 0.000 0.603 1013 H N 1.140 120.057 119.070 -0.255 0.000 2.947 1013 H HA 0.569 5.122 4.556 -0.004 0.000 0.354 1013 H C -1.715 173.343 175.328 -0.450 0.000 1.085 1013 H CA -1.376 54.406 56.048 -0.444 0.000 1.253 1013 H CB 2.374 31.971 29.762 -0.275 0.000 1.757 1013 H HN 0.254 nan 8.280 nan 0.000 0.523 1014 P HA -0.259 nan 4.420 nan 0.000 0.218 1014 P C 1.477 178.588 177.300 -0.315 0.000 1.152 1014 P CA 1.165 64.040 63.100 -0.375 0.000 0.857 1014 P CB 0.239 31.708 31.700 -0.386 0.000 0.787 1015 V N -0.878 119.033 119.914 -0.005 0.000 2.515 1015 V HA -0.170 3.947 4.120 -0.004 0.000 0.250 1015 V C 2.058 177.975 176.094 -0.295 0.000 1.058 1015 V CA 1.435 63.635 62.300 -0.167 0.000 1.064 1015 V CB -0.917 30.849 31.823 -0.094 0.000 0.675 1015 V HN 0.050 nan 8.190 nan 0.000 0.461 1016 L N -0.317 120.769 121.223 -0.229 0.000 2.633 1016 L HA -0.059 4.279 4.340 -0.004 0.000 0.235 1016 L C 2.537 179.263 176.870 -0.239 0.000 1.163 1016 L CA 0.854 55.571 54.840 -0.205 0.000 0.859 1016 L CB -0.488 41.485 42.059 -0.143 0.000 0.973 1016 L HN 0.294 nan 8.230 nan 0.000 0.451 1017 R N 0.396 120.662 120.500 -0.390 0.000 2.062 1017 R HA -0.095 4.242 4.340 -0.004 0.000 0.226 1017 R C -0.068 176.078 176.300 -0.257 0.000 1.125 1017 R CA 0.871 56.758 56.100 -0.355 0.000 0.966 1017 R CB 0.165 30.209 30.300 -0.428 0.000 0.861 1017 R HN 0.289 nan 8.270 nan 0.000 0.433 1018 Y N -0.995 119.274 120.300 -0.051 0.000 2.587 1018 Y HA 0.468 5.015 4.550 -0.005 0.000 0.328 1018 Y C -2.229 173.625 175.900 -0.077 0.000 0.980 1018 Y CA -3.608 54.459 58.100 -0.055 0.000 1.272 1018 Y CB 1.031 39.465 38.460 -0.042 0.000 1.094 1018 Y HN -0.019 nan 8.280 nan 0.000 0.503 1019 P HA 0.027 nan 4.420 nan 0.000 0.242 1019 P C 1.679 178.934 177.300 -0.075 0.000 1.197 1019 P CA 0.948 64.000 63.100 -0.079 0.000 0.765 1019 P CB 0.348 31.955 31.700 -0.155 0.000 0.936 1020 G N 0.629 109.424 108.800 -0.010 0.000 2.476 1020 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.218 1020 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.218 1020 G C 1.398 176.257 174.900 -0.068 0.000 1.164 1020 G CA 0.636 45.715 45.100 -0.035 0.000 0.768 1020 G HN 0.264 nan 8.290 nan 0.000 0.560 1021 L N -0.505 120.699 121.223 -0.031 0.000 2.072 1021 L HA 0.023 4.361 4.340 -0.004 0.000 0.205 1021 L C 3.178 179.983 176.870 -0.108 0.000 1.079 1021 L CA 0.526 55.323 54.840 -0.071 0.000 0.752 1021 L CB -0.338 41.722 42.059 0.001 0.000 0.906 1021 L HN 0.074 nan 8.230 nan 0.000 0.436 1022 R N 0.397 120.837 120.500 -0.099 0.000 2.119 1022 R HA -0.192 4.145 4.340 -0.004 0.000 0.246 1022 R C 2.020 178.227 176.300 -0.156 0.000 1.146 1022 R CA 1.477 57.498 56.100 -0.132 0.000 0.962 1022 R CB -0.529 29.685 30.300 -0.144 0.000 0.863 1022 R HN 0.492 nan 8.270 nan 0.000 0.442 1023 E N 0.036 120.135 120.200 -0.168 0.000 2.152 1023 E HA -0.068 4.280 4.350 -0.004 0.000 0.192 1023 E C 2.162 178.641 176.600 -0.202 0.000 0.983 1023 E CA 0.707 56.996 56.400 -0.184 0.000 0.818 1023 E CB -0.065 29.525 29.700 -0.184 0.000 0.758 1023 E HN 0.146 nan 8.360 nan 0.000 0.467 1024 V N 1.774 121.562 119.914 -0.210 0.000 2.446 1024 V HA 0.003 4.121 4.120 -0.004 0.000 0.244 1024 V C 1.244 177.205 176.094 -0.222 0.000 1.039 1024 V CA 0.689 62.840 62.300 -0.247 0.000 1.045 1024 V CB -0.593 31.034 31.823 -0.326 0.000 0.681 1024 V HN 0.146 nan 8.190 nan 0.000 0.459 1025 A N 1.202 123.905 122.820 -0.196 0.000 2.573 1025 A HA 0.050 4.367 4.320 -0.004 0.000 0.250 1025 A C 1.618 179.105 177.584 -0.162 0.000 1.049 1025 A CA 0.784 52.727 52.037 -0.157 0.000 0.767 1025 A CB -0.001 18.919 19.000 -0.134 0.000 0.965 1025 A HN 0.672 nan 8.150 nan 0.000 0.514 1026 S N 0.807 116.424 115.700 -0.137 0.000 2.555 1026 S HA 0.142 4.609 4.470 -0.004 0.000 0.230 1026 S C 0.557 174.951 174.600 -0.344 0.000 0.978 1026 S CA 0.407 58.502 58.200 -0.175 0.000 0.934 1026 S CB -0.840 62.329 63.200 -0.051 0.000 0.766 1026 S HN 1.024 nan 8.310 nan 0.000 0.533 1027 C N -1.256 117.888 119.300 -0.260 0.000 3.259 1027 C HA 0.657 5.115 4.460 -0.004 0.000 0.344 1027 C C -0.426 174.464 174.990 -0.166 0.000 1.401 1027 C CA -0.500 58.348 59.018 -0.283 0.000 1.219 1027 C CB 1.142 28.760 27.740 -0.203 0.000 1.521 1027 C HN 0.407 nan 8.230 nan 0.000 0.455 1028 T N 1.362 115.834 114.554 -0.136 0.000 2.940 1028 T HA 0.448 4.795 4.350 -0.004 0.000 0.288 1028 T C 1.283 175.947 174.700 -0.060 0.000 1.033 1028 T CA -0.542 61.500 62.100 -0.097 0.000 1.033 1028 T CB 0.747 69.556 68.868 -0.097 0.000 1.079 1028 T HN 0.476 nan 8.240 nan 0.000 0.496 1029 I N 1.884 122.422 120.570 -0.053 0.000 2.151 1029 I HA -0.121 4.046 4.170 -0.004 0.000 0.243 1029 I C 2.423 178.528 176.117 -0.021 0.000 1.080 1029 I CA 1.680 62.961 61.300 -0.032 0.000 1.339 1029 I CB -1.145 36.836 38.000 -0.032 0.000 1.039 1029 I HN 0.759 nan 8.210 nan 0.000 0.409 1030 E N 1.685 121.868 120.200 -0.028 0.000 2.058 1030 E HA -0.250 4.097 4.350 -0.004 0.000 0.194 1030 E C 1.967 178.566 176.600 -0.003 0.000 0.997 1030 E CA 1.824 58.213 56.400 -0.018 0.000 0.801 1030 E CB -0.249 29.437 29.700 -0.024 0.000 0.746 1030 E HN 0.516 nan 8.360 nan 0.000 0.450 1031 E N 0.229 120.425 120.200 -0.006 0.000 2.418 1031 E HA -0.079 4.269 4.350 -0.004 0.000 0.197 1031 E C 2.021 178.672 176.600 0.085 0.000 1.026 1031 E CA 0.150 56.563 56.400 0.022 0.000 0.862 1031 E CB -0.088 29.597 29.700 -0.025 0.000 0.799 1031 E HN 0.308 nan 8.360 nan 0.000 0.518 1032 L N 1.047 122.312 121.223 0.071 0.000 1.963 1032 L HA -0.318 4.020 4.340 -0.004 0.000 0.220 1032 L C 2.646 179.584 176.870 0.113 0.000 1.076 1032 L CA 2.134 57.044 54.840 0.117 0.000 0.772 1032 L CB -0.687 41.409 42.059 0.063 0.000 0.892 1032 L HN 0.313 nan 8.230 nan 0.000 0.435 1033 S N -1.041 114.694 115.700 0.057 0.000 2.359 1033 S HA -0.318 4.149 4.470 -0.004 0.000 0.223 1033 S C 1.795 176.417 174.600 0.036 0.000 1.039 1033 S CA 1.726 59.945 58.200 0.032 0.000 1.042 1033 S CB -0.694 62.513 63.200 0.013 0.000 0.915 1033 S HN 0.523 nan 8.310 nan 0.000 0.439 1034 E N 0.109 120.343 120.200 0.056 0.000 2.085 1034 E HA -0.187 4.161 4.350 -0.004 0.000 0.194 1034 E C 1.863 178.523 176.600 0.100 0.000 0.994 1034 E CA 1.370 57.806 56.400 0.060 0.000 0.801 1034 E CB -0.240 29.497 29.700 0.062 0.000 0.743 1034 E HN 0.652 nan 8.360 nan 0.000 0.453 1035 F N 0.513 120.454 119.950 -0.016 0.000 2.187 1035 F HA -0.079 4.445 4.527 -0.005 0.000 0.295 1035 F C 1.984 177.776 175.800 -0.014 0.000 1.091 1035 F CA 0.876 58.867 58.000 -0.015 0.000 1.308 1035 F CB -0.331 38.659 39.000 -0.017 0.000 1.030 1035 F HN -0.151 nan 8.300 nan 0.000 0.487 1036 V N 0.974 120.784 119.914 -0.173 0.000 2.323 1036 V HA -0.221 3.897 4.120 -0.004 0.000 0.244 1036 V C 2.462 178.433 176.094 -0.205 0.000 1.041 1036 V CA 1.910 64.047 62.300 -0.272 0.000 1.025 1036 V CB -0.667 31.106 31.823 -0.082 0.000 0.656 1036 V HN 0.222 nan 8.190 nan 0.000 0.451 1037 R N 0.331 120.764 120.500 -0.112 0.000 2.191 1037 R HA -0.237 4.100 4.340 -0.004 0.000 0.248 1037 R C 1.490 177.727 176.300 -0.106 0.000 1.127 1037 R CA 1.967 58.016 56.100 -0.085 0.000 0.943 1037 R CB -0.319 29.948 30.300 -0.055 0.000 0.891 1037 R HN 0.500 nan 8.270 nan 0.000 0.439 1038 E N 0.897 121.021 120.200 -0.126 0.000 1.941 1038 E HA 0.153 4.501 4.350 -0.004 0.000 0.275 1038 E C -0.857 175.634 176.600 -0.182 0.000 1.113 1038 E CA -0.099 56.228 56.400 -0.122 0.000 0.878 1038 E CB 0.320 29.965 29.700 -0.091 0.000 1.070 1038 E HN -0.015 nan 8.360 nan 0.000 0.399 1039 L N 4.263 125.394 121.223 -0.153 0.000 2.656 1039 L HA 0.402 4.740 4.340 -0.004 0.000 0.266 1039 L C -2.316 174.496 176.870 -0.096 0.000 0.859 1039 L CA -0.686 54.057 54.840 -0.163 0.000 1.131 1039 L CB 0.648 42.555 42.059 -0.253 0.000 1.627 1039 L HN 0.463 nan 8.230 nan 0.000 0.351 1040 P HA 0.433 nan 4.420 nan 0.000 0.310 1040 P C -0.848 176.424 177.300 -0.046 0.000 1.309 1040 P CA -0.378 62.692 63.100 -0.050 0.000 0.769 1040 P CB 0.307 31.987 31.700 -0.033 0.000 1.327 1041 G N 0.065 108.846 108.800 -0.031 0.000 2.360 1041 G HA2 0.242 4.200 3.960 -0.004 0.000 0.279 1041 G HA3 0.242 4.200 3.960 -0.004 0.000 0.279 1041 G C -0.393 174.495 174.900 -0.019 0.000 1.189 1041 G CA -0.430 44.654 45.100 -0.026 0.000 0.941 1041 G HN 0.516 nan 8.290 nan 0.000 0.445 1042 K N 1.676 122.063 120.400 -0.021 0.000 4.868 1042 K HA -0.155 4.163 4.320 -0.004 0.000 0.314 1042 K C -2.474 174.123 176.600 -0.005 0.000 0.932 1042 K CA 0.127 56.408 56.287 -0.011 0.000 0.998 1042 K CB -0.895 31.603 32.500 -0.002 0.000 1.704 1042 K HN 0.456 nan 8.250 nan 0.000 0.426 1043 P HA 0.241 nan 4.420 nan 0.000 0.279 1043 P C -0.599 176.715 177.300 0.023 0.000 1.276 1043 P CA -0.542 62.556 63.100 -0.005 0.000 0.801 1043 P CB 0.812 32.490 31.700 -0.037 0.000 1.127 1044 K N -0.296 120.129 120.400 0.042 0.000 2.156 1044 K HA 0.738 5.055 4.320 -0.004 0.000 0.250 1044 K C -0.982 175.675 176.600 0.095 0.000 0.955 1044 K CA -0.882 55.446 56.287 0.069 0.000 0.855 1044 K CB 1.587 34.134 32.500 0.078 0.000 1.101 1044 K HN 0.109 nan 8.250 nan 0.000 0.434 1045 V N 2.186 122.168 119.914 0.113 0.000 3.147 1045 V HA 0.364 4.482 4.120 -0.004 0.000 0.299 1045 V C -1.888 174.282 176.094 0.127 0.000 1.302 1045 V CA -1.022 61.361 62.300 0.137 0.000 1.015 1045 V CB 2.162 34.080 31.823 0.159 0.000 1.086 1045 V HN 0.642 nan 8.190 nan 0.000 0.437 1046 L N 2.889 124.177 121.223 0.108 0.000 2.305 1046 L HA 0.882 5.219 4.340 -0.004 0.000 0.284 1046 L C -1.181 175.706 176.870 0.029 0.000 1.013 1046 L CA -0.385 54.506 54.840 0.085 0.000 0.819 1046 L CB 1.318 43.414 42.059 0.063 0.000 1.227 1046 L HN 0.391 nan 8.230 nan 0.000 0.417 1047 L N 3.293 124.543 121.223 0.044 0.000 2.362 1047 L HA 0.762 5.100 4.340 -0.004 0.000 0.271 1047 L C 0.020 176.902 176.870 0.020 0.000 1.002 1047 L CA -0.457 54.391 54.840 0.014 0.000 0.818 1047 L CB 2.371 44.446 42.059 0.026 0.000 1.298 1047 L HN 0.872 nan 8.230 nan 0.000 0.420 1048 S N 0.503 116.196 115.700 -0.012 0.000 2.532 1048 S HA 0.967 5.434 4.470 -0.004 0.000 0.299 1048 S C -0.406 174.199 174.600 0.010 0.000 1.105 1048 S CA -0.198 58.004 58.200 0.003 0.000 1.018 1048 S CB 2.161 65.335 63.200 -0.044 0.000 1.021 1048 S HN 0.922 nan 8.310 nan 0.000 0.483 1049 G N 1.509 110.345 108.800 0.060 0.000 2.694 1049 G HA2 0.573 4.531 3.960 -0.004 0.000 0.246 1049 G HA3 0.573 4.531 3.960 -0.004 0.000 0.246 1049 G C -1.735 173.252 174.900 0.144 0.000 1.205 1049 G CA -0.712 44.431 45.100 0.073 0.000 0.891 1049 G HN 0.748 nan 8.290 nan 0.000 0.515 1050 M N 0.441 120.156 119.600 0.193 0.000 2.598 1050 M HA 0.732 5.209 4.480 -0.004 0.000 0.317 1050 M C -0.612 175.815 176.300 0.212 0.000 1.179 1050 M CA -0.817 54.607 55.300 0.208 0.000 0.936 1050 M CB 2.180 34.928 32.600 0.246 0.000 1.713 1050 M HN 0.295 nan 8.290 nan 0.000 0.460 1051 V N 3.075 123.102 119.914 0.188 0.000 2.472 1051 V HA 0.436 4.553 4.120 -0.004 0.000 0.290 1051 V C -0.169 176.024 176.094 0.166 0.000 1.037 1051 V CA -0.335 62.097 62.300 0.220 0.000 0.908 1051 V CB 1.473 33.378 31.823 0.137 0.000 0.985 1051 V HN 0.909 nan 8.190 nan 0.000 0.454 1052 E N 2.134 122.440 120.200 0.177 0.000 3.254 1052 E HA 0.308 4.655 4.350 -0.004 0.000 0.184 1052 E C -0.761 175.898 176.600 0.098 0.000 0.967 1052 E CA -0.093 56.374 56.400 0.112 0.000 1.311 1052 E CB 1.117 30.870 29.700 0.088 0.000 1.071 1052 E HN 0.693 nan 8.360 nan 0.000 0.456 1053 E N 0.159 120.435 120.200 0.126 0.000 2.331 1053 E HA 0.287 4.635 4.350 -0.004 0.000 0.275 1053 E C -0.588 176.063 176.600 0.085 0.000 0.895 1053 E CA -0.644 55.819 56.400 0.105 0.000 0.753 1053 E CB 1.799 31.579 29.700 0.132 0.000 1.216 1053 E HN -0.110 nan 8.360 nan 0.000 0.434 1068 F N -0.521 119.427 119.950 -0.002 0.000 2.389 1068 F HA 0.556 5.082 4.527 -0.003 0.000 0.337 1068 F C 0.187 175.993 175.800 0.010 0.000 1.112 1068 F CA -0.186 57.817 58.000 0.004 0.000 1.192 1068 F CB 0.980 39.982 39.000 0.003 0.000 1.185 1068 F HN -0.248 nan 8.300 nan 0.000 0.552 1069 T N 5.262 119.814 114.554 -0.004 0.000 2.767 1069 T HA 0.466 4.813 4.350 -0.004 0.000 0.284 1069 T C -0.899 173.810 174.700 0.016 0.000 0.973 1069 T CA -0.401 61.646 62.100 -0.088 0.000 0.996 1069 T CB 1.033 69.893 68.868 -0.013 0.000 0.927 1069 T HN 0.628 nan 8.240 nan 0.000 0.456 1070 L N 4.315 125.496 121.223 -0.070 0.000 2.307 1070 L HA 0.686 5.024 4.340 -0.004 0.000 0.284 1070 L C -0.182 176.726 176.870 0.064 0.000 1.023 1070 L CA -0.069 54.809 54.840 0.064 0.000 0.810 1070 L CB 1.492 43.582 42.059 0.051 0.000 1.231 1070 L HN 0.693 nan 8.230 nan 0.000 0.423 1071 S N 1.705 117.482 115.700 0.128 0.000 2.594 1071 S HA 0.694 5.161 4.470 -0.004 0.000 0.296 1071 S C -0.841 173.812 174.600 0.088 0.000 1.124 1071 S CA -0.993 57.295 58.200 0.147 0.000 1.011 1071 S CB 1.613 64.968 63.200 0.259 0.000 1.016 1071 S HN 0.547 nan 8.310 nan 0.000 0.485 1072 D N 1.028 121.396 120.400 -0.053 0.000 2.529 1072 D HA 0.234 4.872 4.640 -0.004 0.000 0.273 1072 D C 1.218 177.209 176.300 -0.515 0.000 1.197 1072 D CA -0.589 53.240 54.000 -0.284 0.000 1.070 1072 D CB 0.496 41.194 40.800 -0.169 0.000 1.134 1072 D HN 0.746 nan 8.370 nan 0.000 0.590 1073 E N -0.722 119.135 120.200 -0.572 0.000 2.512 1073 E HA -0.052 4.296 4.350 -0.004 0.000 0.195 1073 E C 0.046 176.585 176.600 -0.101 0.000 1.083 1073 E CA 0.631 56.838 56.400 -0.321 0.000 0.873 1073 E CB -0.362 29.192 29.700 -0.244 0.000 0.897 1073 E HN 0.372 nan 8.360 nan 0.000 0.514 1074 T N -2.061 112.434 114.554 -0.099 0.000 3.016 1074 T HA 0.497 4.845 4.350 -0.004 0.000 0.271 1074 T C 0.620 175.305 174.700 -0.025 0.000 0.968 1074 T CA -0.032 62.038 62.100 -0.050 0.000 0.891 1074 T CB 1.237 70.067 68.868 -0.064 0.000 1.149 1074 T HN 0.407 nan 8.240 nan 0.000 0.524 1075 G N 0.568 109.363 108.800 -0.009 0.000 2.356 1075 G HA2 0.560 4.518 3.960 -0.004 0.000 0.288 1075 G HA3 0.560 4.518 3.960 -0.004 0.000 0.288 1075 G C -1.913 173.000 174.900 0.022 0.000 1.302 1075 G CA -0.289 44.815 45.100 0.006 0.000 0.887 1075 G HN 0.569 nan 8.290 nan 0.000 0.521 1076 A N -1.139 121.688 122.820 0.011 0.000 2.485 1076 A HA 0.998 5.316 4.320 -0.004 0.000 0.292 1076 A C -1.085 176.485 177.584 -0.022 0.000 1.147 1076 A CA -0.705 51.338 52.037 0.010 0.000 0.750 1076 A CB 1.685 20.699 19.000 0.024 0.000 1.331 1076 A HN 1.397 nan 8.150 nan 0.000 0.419 1077 L N 0.335 121.529 121.223 -0.047 0.000 2.466 1077 L HA 0.374 4.711 4.340 -0.004 0.000 0.258 1077 L C -0.794 175.996 176.870 -0.135 0.000 0.973 1077 L CA -0.812 53.979 54.840 -0.081 0.000 0.826 1077 L CB 2.246 44.253 42.059 -0.087 0.000 1.372 1077 L HN 0.694 nan 8.230 nan 0.000 0.409 1078 E N 2.121 122.246 120.200 -0.124 0.000 2.316 1078 E HA 0.359 4.706 4.350 -0.004 0.000 0.275 1078 E C -0.937 175.527 176.600 -0.226 0.000 1.029 1078 E CA 0.040 56.344 56.400 -0.160 0.000 0.871 1078 E CB 2.293 31.934 29.700 -0.097 0.000 1.022 1078 E HN 0.279 nan 8.360 nan 0.000 0.418 1079 V N 3.872 123.561 119.914 -0.376 0.000 2.752 1079 V HA 0.380 4.497 4.120 -0.004 0.000 0.302 1079 V C -0.936 174.944 176.094 -0.357 0.000 1.133 1079 V CA -0.531 61.519 62.300 -0.417 0.000 0.919 1079 V CB 1.809 33.294 31.823 -0.562 0.000 1.026 1079 V HN 0.398 nan 8.190 nan 0.000 0.429 1095 E N 2.119 122.334 120.200 0.024 0.000 2.392 1095 E HA -0.052 4.296 4.350 -0.004 0.000 0.259 1095 E C -0.750 175.875 176.600 0.041 0.000 1.108 1095 E CA 0.728 57.154 56.400 0.042 0.000 0.916 1095 E CB 0.376 30.099 29.700 0.038 0.000 0.989 1095 E HN 0.456 nan 8.360 nan 0.000 0.432 1096 D N 1.411 121.848 120.400 0.063 0.000 2.708 1096 D HA -0.215 4.422 4.640 -0.004 0.000 0.236 1096 D C -0.801 175.535 176.300 0.060 0.000 1.146 1096 D CA 0.808 54.847 54.000 0.065 0.000 0.662 1096 D CB -0.852 39.973 40.800 0.042 0.000 1.059 1096 D HN 0.321 nan 8.370 nan 0.000 0.428 1097 I N 0.856 121.464 120.570 0.063 0.000 2.447 1097 I HA 0.281 4.448 4.170 -0.004 0.000 0.287 1097 I C -2.124 174.040 176.117 0.079 0.000 1.023 1097 I CA -1.788 59.544 61.300 0.053 0.000 1.083 1097 I CB 2.422 40.429 38.000 0.011 0.000 1.245 1097 I HN -0.240 nan 8.210 nan 0.000 0.434 1098 P HA 0.368 nan 4.420 nan 0.000 0.275 1098 P C -1.143 176.201 177.300 0.074 0.000 1.228 1098 P CA -0.153 63.029 63.100 0.136 0.000 0.786 1098 P CB 1.402 33.247 31.700 0.242 0.000 0.927 1099 L N 1.851 123.127 121.223 0.088 0.000 2.434 1099 L HA 0.431 4.768 4.340 -0.004 0.000 0.260 1099 L C -0.387 176.539 176.870 0.093 0.000 0.983 1099 L CA -1.263 53.622 54.840 0.075 0.000 0.820 1099 L CB 2.416 44.500 42.059 0.042 0.000 1.361 1099 L HN 0.236 nan 8.230 nan 0.000 0.410 1100 L N 2.707 123.997 121.223 0.112 0.000 2.325 1100 L HA 0.712 5.049 4.340 -0.004 0.000 0.279 1100 L C -0.865 176.145 176.870 0.233 0.000 1.054 1100 L CA -0.136 54.768 54.840 0.107 0.000 0.804 1100 L CB 1.771 43.807 42.059 -0.039 0.000 1.200 1100 L HN 0.281 nan 8.230 nan 0.000 0.436 1101 V N 5.999 126.036 119.914 0.205 0.000 2.577 1101 V HA 0.396 4.513 4.120 -0.004 0.000 0.303 1101 V C -0.350 175.884 176.094 0.233 0.000 1.042 1101 V CA -0.647 61.779 62.300 0.209 0.000 0.872 1101 V CB 1.749 33.701 31.823 0.214 0.000 0.998 1101 V HN 0.608 nan 8.190 nan 0.000 0.423 1102 L N 4.409 125.786 121.223 0.257 0.000 2.264 1102 L HA 0.859 5.196 4.340 -0.004 0.000 0.289 1102 L C 0.190 177.142 176.870 0.137 0.000 1.044 1102 L CA -0.059 54.927 54.840 0.243 0.000 0.807 1102 L CB 1.393 43.667 42.059 0.357 0.000 1.192 1102 L HN 0.874 nan 8.230 nan 0.000 0.425 1103 A N 4.050 126.941 122.820 0.119 0.000 2.572 1103 A HA 0.526 4.844 4.320 -0.004 0.000 0.295 1103 A C -1.128 176.498 177.584 0.070 0.000 1.072 1103 A CA -0.665 51.422 52.037 0.083 0.000 0.691 1103 A CB 1.830 20.873 19.000 0.072 0.000 1.291 1103 A HN 0.612 nan 8.150 nan 0.000 0.404 1104 E N 0.400 120.631 120.200 0.052 0.000 2.266 1104 E HA 0.536 4.884 4.350 -0.004 0.000 0.277 1104 E C -1.101 175.517 176.600 0.030 0.000 1.018 1104 E CA -0.279 56.146 56.400 0.042 0.000 0.840 1104 E CB 1.648 31.369 29.700 0.036 0.000 1.082 1104 E HN 0.416 nan 8.360 nan 0.000 0.395 1105 V N 3.217 123.146 119.914 0.025 0.000 2.680 1105 V HA 0.372 4.489 4.120 -0.004 0.000 0.309 1105 V C -0.099 175.998 176.094 0.006 0.000 1.052 1105 V CA -0.679 61.630 62.300 0.015 0.000 0.908 1105 V CB 1.913 33.748 31.823 0.020 0.000 1.001 1105 V HN 0.686 nan 8.190 nan 0.000 0.431 1113 V N 2.760 122.657 119.914 -0.027 0.000 2.531 1113 V HA 0.483 4.601 4.120 -0.004 0.000 0.301 1113 V C -0.662 175.417 176.094 -0.025 0.000 1.034 1113 V CA -0.732 61.554 62.300 -0.022 0.000 0.865 1113 V CB 1.788 33.591 31.823 -0.033 0.000 0.995 1113 V HN 0.555 nan 8.190 nan 0.000 0.424 1114 L N 4.501 125.725 121.223 0.001 0.000 2.316 1114 L HA 0.734 5.072 4.340 -0.004 0.000 0.280 1114 L C 0.573 177.464 176.870 0.035 0.000 1.006 1114 L CA -0.589 54.258 54.840 0.012 0.000 0.836 1114 L CB 1.691 43.760 42.059 0.017 0.000 1.221 1114 L HN 0.726 nan 8.230 nan 0.000 0.418 1115 A N 2.882 125.737 122.820 0.057 0.000 2.462 1115 A HA 0.278 4.596 4.320 -0.004 0.000 0.243 1115 A C 0.600 178.214 177.584 0.050 0.000 1.076 1115 A CA 0.219 52.309 52.037 0.088 0.000 0.773 1115 A CB 0.633 19.747 19.000 0.189 0.000 1.010 1115 A HN 0.919 nan 8.150 nan 0.000 0.493 1116 Q N 0.087 119.905 119.800 0.031 0.000 2.342 1116 Q HA 0.409 4.747 4.340 -0.004 0.000 0.261 1116 Q C 0.135 176.099 176.000 -0.060 0.000 0.841 1116 Q CA 0.719 56.524 55.803 0.004 0.000 0.969 1116 Q CB 0.859 29.616 28.738 0.032 0.000 1.136 1116 Q HN 0.935 nan 8.270 nan 0.000 0.528 1117 A N 0.318 123.066 122.820 -0.119 0.000 2.594 1117 A HA 0.729 5.047 4.320 -0.004 0.000 0.295 1117 A C -1.464 175.793 177.584 -0.545 0.000 1.071 1117 A CA -0.439 51.370 52.037 -0.380 0.000 0.685 1117 A CB 2.019 20.760 19.000 -0.432 0.000 1.285 1117 A HN -0.028 nan 8.150 nan 0.000 0.405 1118 V N 1.277 120.680 119.914 -0.852 0.000 2.932 1118 V HA 0.670 4.788 4.120 -0.004 0.000 0.307 1118 V C -1.444 174.205 176.094 -0.741 0.000 1.147 1118 V CA -0.464 61.487 62.300 -0.583 0.000 0.951 1118 V CB 2.093 33.734 31.823 -0.302 0.000 1.031 1118 V HN 0.866 nan 8.190 nan 0.000 0.426 1119 W N 1.745 123.072 121.300 0.045 0.000 3.032 1119 W HA 0.523 5.183 4.660 -0.000 0.000 0.335 1119 W C 0.159 176.683 176.519 0.010 0.000 1.154 1119 W CA -0.644 56.740 57.345 0.064 0.000 1.204 1119 W CB 2.224 31.801 29.460 0.195 0.000 1.416 1119 W HN 0.656 nan 8.180 nan 0.000 0.521 1120 T N -0.843 113.838 114.554 0.211 0.000 2.816 1120 T HA 0.165 4.513 4.350 -0.004 0.000 0.282 1120 T C 0.908 175.648 174.700 0.067 0.000 0.993 1120 T CA -0.591 61.562 62.100 0.089 0.000 0.994 1120 T CB 1.353 70.242 68.868 0.035 0.000 1.025 1120 T HN 0.325 nan 8.240 nan 0.000 0.529 1121 L N 0.786 121.996 121.223 -0.021 0.000 2.013 1121 L HA -0.083 4.255 4.340 -0.004 0.000 0.212 1121 L C 2.479 179.302 176.870 -0.078 0.000 1.073 1121 L CA 1.907 56.685 54.840 -0.104 0.000 0.753 1121 L CB -1.015 40.881 42.059 -0.271 0.000 0.890 1121 L HN 0.855 nan 8.230 nan 0.000 0.432 1122 E N -0.762 119.404 120.200 -0.057 0.000 2.208 1122 E HA -0.192 4.155 4.350 -0.004 0.000 0.193 1122 E C 2.038 178.646 176.600 0.014 0.000 0.988 1122 E CA 1.138 57.518 56.400 -0.034 0.000 0.828 1122 E CB -0.120 29.561 29.700 -0.032 0.000 0.763 1122 E HN 0.643 nan 8.360 nan 0.000 0.478 1123 E N 0.467 120.703 120.200 0.061 0.000 2.047 1123 E HA -0.141 4.206 4.350 -0.004 0.000 0.191 1123 E C 2.202 178.874 176.600 0.120 0.000 0.987 1123 E CA 0.997 57.468 56.400 0.118 0.000 0.799 1123 E CB 0.117 29.955 29.700 0.229 0.000 0.752 1123 E HN 0.064 nan 8.360 nan 0.000 0.449 1124 V N 1.415 121.406 119.914 0.130 0.000 2.343 1124 V HA -0.219 3.898 4.120 -0.004 0.000 0.247 1124 V C 2.140 178.275 176.094 0.068 0.000 1.051 1124 V CA 1.324 63.705 62.300 0.136 0.000 1.036 1124 V CB -0.310 31.520 31.823 0.011 0.000 0.654 1124 V HN 0.278 nan 8.190 nan 0.000 0.451 1125 L N -0.428 120.805 121.223 0.016 0.000 2.622 1125 L HA -0.043 4.295 4.340 -0.004 0.000 0.233 1125 L C 2.120 178.992 176.870 0.003 0.000 1.156 1125 L CA 0.864 55.702 54.840 -0.003 0.000 0.866 1125 L CB -0.288 41.752 42.059 -0.032 0.000 0.980 1125 L HN 0.431 nan 8.230 nan 0.000 0.448 1126 E N -0.186 120.022 120.200 0.013 0.000 2.290 1126 E HA 0.176 4.524 4.350 -0.004 0.000 0.199 1126 E C 0.957 177.550 176.600 -0.012 0.000 0.912 1126 E CA 0.040 56.442 56.400 0.002 0.000 0.924 1126 E CB 0.355 30.059 29.700 0.007 0.000 0.901 1126 E HN 0.356 nan 8.360 nan 0.000 0.487 1127 A N 3.607 126.414 122.820 -0.023 0.000 2.540 1127 A HA 0.117 4.435 4.320 -0.004 0.000 0.239 1127 A C -2.163 175.396 177.584 -0.043 0.000 1.061 1127 A CA -0.972 51.017 52.037 -0.080 0.000 0.758 1127 A CB -0.414 18.471 19.000 -0.191 0.000 0.991 1127 A HN -0.020 nan 8.150 nan 0.000 0.502 1128 P HA 0.063 nan 4.420 nan 0.000 0.266 1128 P C -0.447 176.854 177.300 0.002 0.000 1.193 1128 P CA 0.382 63.470 63.100 -0.020 0.000 0.770 1128 P CB 0.424 32.109 31.700 -0.025 0.000 0.836 1129 K N 1.007 121.417 120.400 0.016 0.000 2.095 1129 K HA 0.706 5.024 4.320 -0.004 0.000 0.252 1129 K C -0.170 176.463 176.600 0.055 0.000 0.977 1129 K CA -0.688 55.617 56.287 0.030 0.000 0.900 1129 K CB 1.487 34.002 32.500 0.026 0.000 1.060 1129 K HN 0.527 nan 8.250 nan 0.000 0.449 1130 A N 1.591 124.457 122.820 0.076 0.000 2.413 1130 A HA 0.570 4.888 4.320 -0.004 0.000 0.307 1130 A C -1.632 176.032 177.584 0.134 0.000 1.087 1130 A CA -0.747 51.375 52.037 0.141 0.000 0.750 1130 A CB 1.018 20.194 19.000 0.293 0.000 1.296 1130 A HN 0.582 nan 8.150 nan 0.000 0.423 1131 L N 0.706 122.017 121.223 0.147 0.000 2.290 1131 L HA 0.535 4.872 4.340 -0.004 0.000 0.284 1131 L C 0.087 177.065 176.870 0.179 0.000 1.078 1131 L CA 0.322 55.234 54.840 0.120 0.000 0.815 1131 L CB 0.864 42.962 42.059 0.065 0.000 1.162 1131 L HN 0.748 nan 8.230 nan 0.000 0.435 1132 E N 4.186 124.481 120.200 0.158 0.000 2.165 1132 E HA 0.505 4.853 4.350 -0.004 0.000 0.266 1132 E C -1.567 175.114 176.600 0.134 0.000 0.889 1132 E CA -0.781 55.729 56.400 0.182 0.000 0.756 1132 E CB 1.600 31.398 29.700 0.163 0.000 1.131 1132 E HN 0.542 nan 8.360 nan 0.000 0.411 1133 V N 3.508 123.483 119.914 0.100 0.000 2.612 1133 V HA 0.330 4.447 4.120 -0.004 0.000 0.301 1133 V C -0.145 176.009 176.094 0.101 0.000 1.046 1133 V CA -0.677 61.654 62.300 0.052 0.000 0.946 1133 V CB 1.608 33.416 31.823 -0.025 0.000 1.003 1133 V HN 0.690 nan 8.190 nan 0.000 0.459 1134 E N 2.394 122.659 120.200 0.108 0.000 2.145 1134 E HA 0.529 4.877 4.350 -0.004 0.000 0.262 1134 E C -1.391 175.290 176.600 0.135 0.000 0.883 1134 E CA -0.416 56.065 56.400 0.135 0.000 0.748 1134 E CB 2.119 31.924 29.700 0.175 0.000 1.140 1134 E HN 0.502 nan 8.360 nan 0.000 0.417 1135 V N 2.117 122.108 119.914 0.130 0.000 2.581 1135 V HA 0.244 4.361 4.120 -0.004 0.000 0.303 1135 V C 0.086 176.252 176.094 0.119 0.000 1.041 1135 V CA -0.943 61.441 62.300 0.140 0.000 0.907 1135 V CB 1.903 33.798 31.823 0.120 0.000 0.994 1135 V HN 0.598 nan 8.190 nan 0.000 0.442 1136 D N 0.232 120.696 120.400 0.108 0.000 2.411 1136 D HA 0.187 4.824 4.640 -0.004 0.000 0.251 1136 D C 1.000 177.367 176.300 0.111 0.000 1.201 1136 D CA -0.011 54.048 54.000 0.098 0.000 0.996 1136 D CB 0.873 41.716 40.800 0.072 0.000 1.101 1136 D HN 0.701 nan 8.370 nan 0.000 0.504 1137 H N 0.253 119.333 119.070 0.017 0.000 2.462 1137 H HA 0.215 4.769 4.556 -0.004 0.000 0.292 1137 H C 0.116 175.445 175.328 0.002 0.000 1.049 1137 H CA 1.177 57.227 56.048 0.003 0.000 1.334 1137 H CB -0.030 29.715 29.762 -0.028 0.000 1.404 1137 H HN 0.251 nan 8.280 nan 0.000 0.544 1138 A N 1.356 124.190 122.820 0.023 0.000 2.906 1138 A HA 0.427 4.745 4.320 -0.004 0.000 0.289 1138 A C -0.689 176.877 177.584 -0.030 0.000 1.675 1138 A CA -0.301 51.720 52.037 -0.026 0.000 1.372 1138 A CB -1.432 17.574 19.000 0.010 0.000 1.091 1138 A HN 0.480 nan 8.150 nan 0.000 0.579 1139 L N 0.352 121.534 121.223 -0.069 0.000 2.436 1139 L HA 0.756 5.093 4.340 -0.004 0.000 0.268 1139 L C -0.658 176.184 176.870 -0.046 0.000 0.974 1139 L CA -0.626 54.198 54.840 -0.027 0.000 0.826 1139 L CB 1.061 43.120 42.059 -0.001 0.000 1.291 1139 L HN 0.306 nan 8.230 nan 0.000 0.406 1140 L N 1.718 122.930 121.223 -0.019 0.000 2.476 1140 L HA 0.192 4.529 4.340 -0.004 0.000 0.255 1140 L C 1.231 178.085 176.870 -0.026 0.000 1.218 1140 L CA 0.164 54.990 54.840 -0.024 0.000 0.819 1140 L CB 0.656 42.709 42.059 -0.011 0.000 1.119 1140 L HN 0.944 nan 8.230 nan 0.000 0.485 1141 D N -0.046 120.338 120.400 -0.028 0.000 2.117 1141 D HA -0.172 4.465 4.640 -0.004 0.000 0.198 1141 D C 0.883 177.173 176.300 -0.018 0.000 0.982 1141 D CA 1.360 55.343 54.000 -0.028 0.000 0.828 1141 D CB 0.257 41.041 40.800 -0.026 0.000 0.967 1141 D HN 0.515 nan 8.370 nan 0.000 0.464 1142 E N -0.449 119.746 120.200 -0.009 0.000 2.424 1142 E HA 0.101 4.449 4.350 -0.004 0.000 0.237 1142 E C 0.723 177.332 176.600 0.016 0.000 1.381 1142 E CA 0.022 56.422 56.400 -0.001 0.000 1.587 1142 E CB 0.355 30.055 29.700 -0.001 0.000 1.398 1142 E HN 0.287 nan 8.360 nan 0.000 0.439 1143 K N -0.885 119.526 120.400 0.018 0.000 2.826 1143 K HA 0.114 4.432 4.320 -0.004 0.000 0.195 1143 K C 1.070 177.679 176.600 0.015 0.000 1.516 1143 K CA 0.155 56.473 56.287 0.052 0.000 1.213 1143 K CB 0.525 33.081 32.500 0.094 0.000 1.762 1143 K HN 0.132 nan 8.250 nan 0.000 0.583 1147 R N -0.566 119.944 120.500 0.016 0.000 2.088 1147 R HA -0.134 4.204 4.340 -0.004 0.000 0.232 1147 R C 2.077 178.386 176.300 0.016 0.000 1.136 1147 R CA 2.037 58.165 56.100 0.047 0.000 0.926 1147 R CB -0.308 30.062 30.300 0.115 0.000 0.837 1147 R HN 0.536 nan 8.270 nan 0.000 0.429 1148 L N 1.695 122.892 121.223 -0.044 0.000 2.083 1148 L HA -0.170 4.167 4.340 -0.004 0.000 0.209 1148 L C 1.911 178.712 176.870 -0.115 0.000 1.083 1148 L CA 1.836 56.559 54.840 -0.194 0.000 0.752 1148 L CB -0.231 41.616 42.059 -0.354 0.000 0.899 1148 L HN 0.050 nan 8.230 nan 0.000 0.433 1149 K N -0.682 119.673 120.400 -0.075 0.000 2.097 1149 K HA -0.139 4.178 4.320 -0.004 0.000 0.206 1149 K C 2.206 178.782 176.600 -0.039 0.000 1.049 1149 K CA 1.603 57.855 56.287 -0.057 0.000 0.933 1149 K CB -0.237 32.233 32.500 -0.049 0.000 0.717 1149 K HN 0.623 nan 8.250 nan 0.000 0.442 1150 S N 0.913 116.597 115.700 -0.027 0.000 2.406 1150 S HA -0.019 4.448 4.470 -0.004 0.000 0.224 1150 S C 2.063 176.658 174.600 -0.009 0.000 1.030 1150 S CA 0.293 58.481 58.200 -0.021 0.000 0.958 1150 S CB -0.410 62.781 63.200 -0.014 0.000 0.811 1150 S HN 0.150 nan 8.310 nan 0.000 0.489 1151 L N 0.871 122.100 121.223 0.010 0.000 2.043 1151 L HA -0.092 4.246 4.340 -0.004 0.000 0.212 1151 L C 2.545 179.483 176.870 0.113 0.000 1.075 1151 L CA 1.528 56.406 54.840 0.062 0.000 0.752 1151 L CB -0.541 41.541 42.059 0.039 0.000 0.891 1151 L HN 0.355 nan 8.230 nan 0.000 0.432 1152 L N -1.372 119.875 121.223 0.039 0.000 2.179 1152 L HA -0.135 4.203 4.340 -0.004 0.000 0.208 1152 L C 2.049 178.934 176.870 0.026 0.000 1.096 1152 L CA 0.529 55.398 54.840 0.047 0.000 0.779 1152 L CB -0.614 41.440 42.059 -0.009 0.000 0.922 1152 L HN 0.195 nan 8.230 nan 0.000 0.443 1153 D N 0.693 121.085 120.400 -0.013 0.000 2.182 1153 D HA -0.179 4.458 4.640 -0.004 0.000 0.201 1153 D C 1.809 178.061 176.300 -0.079 0.000 0.986 1153 D CA 1.188 55.165 54.000 -0.039 0.000 0.847 1153 D CB 0.052 40.827 40.800 -0.042 0.000 0.942 1153 D HN 0.423 nan 8.370 nan 0.000 0.467 1154 E N -0.660 119.454 120.200 -0.142 0.000 2.489 1154 E HA -0.015 4.332 4.350 -0.004 0.000 0.193 1154 E C 0.052 176.300 176.600 -0.586 0.000 1.057 1154 E CA 0.300 56.495 56.400 -0.342 0.000 0.866 1154 E CB 0.319 29.772 29.700 -0.412 0.000 0.916 1154 E HN 0.385 nan 8.360 nan 0.000 0.500 1155 H N 0.627 119.689 119.070 -0.014 0.000 2.380 1155 H HA 0.205 4.758 4.556 -0.004 0.000 0.231 1155 H C -2.414 172.907 175.328 -0.012 0.000 1.415 1155 H CA -1.927 54.114 56.048 -0.011 0.000 1.433 1155 H CB 0.423 30.178 29.762 -0.010 0.000 1.544 1155 H HN 0.114 nan 8.280 nan 0.000 0.503 1156 P HA 0.303 nan 4.420 nan 0.000 0.273 1156 P C 0.635 177.956 177.300 0.035 0.000 1.250 1156 P CA 0.310 63.426 63.100 0.027 0.000 0.793 1156 P CB 2.053 33.753 31.700 0.001 0.000 1.011 1157 G N -0.477 108.335 108.800 0.021 0.000 2.609 1157 G HA2 0.289 4.247 3.960 -0.004 0.000 0.082 1157 G HA3 0.289 4.247 3.960 -0.004 0.000 0.082 1157 G C -0.558 174.348 174.900 0.011 0.000 1.075 1157 G CA 0.259 45.370 45.100 0.018 0.000 1.172 1157 G HN 0.669 nan 8.290 nan 0.000 0.532 1158 S N -0.341 115.366 115.700 0.012 0.000 3.088 1158 S HA 0.410 4.877 4.470 -0.004 0.000 0.249 1158 S C -0.112 174.496 174.600 0.014 0.000 0.877 1158 S CA -0.335 57.870 58.200 0.008 0.000 1.184 1158 S CB -0.475 62.728 63.200 0.005 0.000 1.170 1158 S HN 0.556 nan 8.310 nan 0.000 0.603 1159 L N 2.165 123.401 121.223 0.022 0.000 2.276 1159 L HA 0.566 4.904 4.340 -0.004 0.000 0.286 1159 L C -2.639 174.250 176.870 0.032 0.000 1.061 1159 L CA -2.257 52.607 54.840 0.039 0.000 0.807 1159 L CB 0.641 42.729 42.059 0.048 0.000 1.177 1159 L HN -0.013 nan 8.230 nan 0.000 0.429 1160 P HA 0.093 nan 4.420 nan 0.000 0.272 1160 P C -0.749 176.536 177.300 -0.025 0.000 1.223 1160 P CA -0.237 62.838 63.100 -0.043 0.000 0.784 1160 P CB 0.888 32.538 31.700 -0.083 0.000 0.923 1161 V N 3.443 123.279 119.914 -0.130 0.000 2.417 1161 V HA 0.328 4.445 4.120 -0.004 0.000 0.291 1161 V C -0.486 175.518 176.094 -0.150 0.000 1.024 1161 V CA -0.349 61.924 62.300 -0.045 0.000 0.861 1161 V CB 0.320 32.125 31.823 -0.031 0.000 0.985 1161 V HN 0.404 nan 8.190 nan 0.000 0.436 1162 Y N 4.501 124.823 120.300 0.036 0.000 2.457 1162 Y HA 0.766 5.313 4.550 -0.004 0.000 0.333 1162 Y C -0.062 175.874 175.900 0.059 0.000 1.119 1162 Y CA -0.992 57.140 58.100 0.052 0.000 1.143 1162 Y CB 1.764 40.251 38.460 0.044 0.000 1.230 1162 Y HN 0.410 nan 8.280 nan 0.000 0.469 1163 L N 3.026 124.393 121.223 0.241 0.000 2.409 1163 L HA 0.559 4.896 4.340 -0.004 0.000 0.272 1163 L C -0.609 176.374 176.870 0.190 0.000 0.980 1163 L CA -0.810 54.142 54.840 0.187 0.000 0.826 1163 L CB 1.811 43.969 42.059 0.164 0.000 1.268 1163 L HN 0.483 nan 8.230 nan 0.000 0.407 1164 R N 2.786 123.376 120.500 0.150 0.000 2.205 1164 R HA 0.390 4.728 4.340 -0.004 0.000 0.342 1164 R C -0.943 175.436 176.300 0.132 0.000 1.058 1164 R CA -0.530 55.641 56.100 0.117 0.000 0.904 1164 R CB 1.310 31.664 30.300 0.090 0.000 1.089 1164 R HN 0.315 nan 8.270 nan 0.000 0.471 1165 V N 5.967 125.975 119.914 0.156 0.000 2.288 1165 V HA 0.159 4.277 4.120 -0.004 0.000 0.266 1165 V C 0.638 176.813 176.094 0.134 0.000 1.048 1165 V CA -0.616 61.791 62.300 0.177 0.000 0.842 1165 V CB 0.768 32.758 31.823 0.279 0.000 1.064 1165 V HN 0.660 nan 8.190 nan 0.000 0.472 1166 L N 5.294 126.580 121.223 0.105 0.000 2.699 1166 L HA 0.229 4.566 4.340 -0.004 0.000 0.283 1166 L C 1.390 178.294 176.870 0.057 0.000 1.166 1166 L CA 0.395 55.275 54.840 0.066 0.000 1.043 1166 L CB -0.327 41.764 42.059 0.053 0.000 1.369 1166 L HN 0.770 nan 8.230 nan 0.000 0.462 1167 G N 3.302 112.117 108.800 0.025 0.000 2.588 1167 G HA2 0.276 4.234 3.960 -0.004 0.000 0.278 1167 G HA3 0.276 4.234 3.960 -0.004 0.000 0.278 1167 G C -1.593 173.125 174.900 -0.304 0.000 1.307 1167 G CA -0.800 44.251 45.100 -0.083 0.000 1.016 1167 G HN 0.418 nan 8.290 nan 0.000 0.503 1168 P HA 0.069 nan 4.420 nan 0.000 0.216 1168 P C 0.010 176.957 177.300 -0.588 0.000 1.153 1168 P CA 0.991 63.609 63.100 -0.803 0.000 0.844 1168 P CB 0.060 30.974 31.700 -1.309 0.000 0.787 1169 F N -1.995 117.919 119.950 -0.061 0.000 2.959 1169 F HA 0.768 5.292 4.527 -0.004 0.000 0.379 1169 F C 0.245 176.041 175.800 -0.007 0.000 1.215 1169 F CA -0.964 57.019 58.000 -0.027 0.000 1.190 1169 F CB 1.019 40.008 39.000 -0.019 0.000 1.574 1169 F HN 0.071 nan 8.300 nan 0.000 0.575 1170 G N 1.158 110.049 108.800 0.152 0.000 2.525 1170 G HA2 0.063 4.020 3.960 -0.004 0.000 0.685 1170 G HA3 0.063 4.020 3.960 -0.004 0.000 0.685 1170 G C -1.996 172.940 174.900 0.060 0.000 1.285 1170 G CA -1.147 44.020 45.100 0.111 0.000 0.849 1170 G HN 0.790 nan 8.290 nan 0.000 0.653 1171 E N 0.626 120.843 120.200 0.029 0.000 2.149 1171 E HA 0.602 4.949 4.350 -0.004 0.000 0.255 1171 E C 0.544 177.132 176.600 -0.020 0.000 0.888 1171 E CA -0.214 56.191 56.400 0.007 0.000 0.742 1171 E CB 0.907 30.596 29.700 -0.017 0.000 1.164 1171 E HN 1.132 nan 8.360 nan 0.000 0.422 1172 A N 4.415 127.232 122.820 -0.005 0.000 2.351 1172 A HA 0.430 4.748 4.320 -0.004 0.000 0.257 1172 A C -0.389 177.108 177.584 -0.145 0.000 1.087 1172 A CA -0.380 51.585 52.037 -0.120 0.000 0.798 1172 A CB 0.492 19.395 19.000 -0.161 0.000 1.033 1172 A HN 0.741 nan 8.150 nan 0.000 0.488 1173 L N 1.867 122.926 121.223 -0.273 0.000 2.408 1173 L HA 0.330 4.667 4.340 -0.004 0.000 0.257 1173 L C -1.399 175.373 176.870 -0.164 0.000 1.053 1173 L CA 0.052 54.816 54.840 -0.126 0.000 0.922 1173 L CB 0.246 42.268 42.059 -0.063 0.000 1.261 1173 L HN 0.669 nan 8.230 nan 0.000 0.458 1174 F N 2.271 122.275 119.950 0.090 0.000 2.375 1174 F HA 0.431 4.955 4.527 -0.004 0.000 0.362 1174 F C 1.097 176.915 175.800 0.031 0.000 1.129 1174 F CA -0.490 57.545 58.000 0.058 0.000 1.154 1174 F CB 0.905 39.927 39.000 0.036 0.000 1.205 1174 F HN 0.405 nan 8.300 nan 0.000 0.513 1175 A N 4.069 126.967 122.820 0.129 0.000 2.425 1175 A HA 0.306 4.623 4.320 -0.004 0.000 0.249 1175 A C 0.756 178.299 177.584 -0.070 0.000 1.084 1175 A CA -0.507 51.441 52.037 -0.149 0.000 0.781 1175 A CB 0.459 19.260 19.000 -0.332 0.000 1.019 1175 A HN 0.826 nan 8.150 nan 0.000 0.490 1176 L N 1.924 123.063 121.223 -0.140 0.000 1.855 1176 L HA 0.041 4.379 4.340 -0.004 0.000 0.232 1176 L C 1.977 178.814 176.870 -0.055 0.000 1.090 1176 L CA 2.219 57.015 54.840 -0.073 0.000 0.843 1176 L CB -0.381 41.627 42.059 -0.085 0.000 0.895 1176 L HN 1.006 nan 8.230 nan 0.000 0.431 1177 R N -3.395 117.065 120.500 -0.065 0.000 4.806 1177 R HA 0.078 4.415 4.340 -0.004 0.000 0.090 1177 R C 1.560 177.833 176.300 -0.045 0.000 0.547 1177 R CA 0.221 56.294 56.100 -0.045 0.000 0.625 1177 R CB -0.123 30.154 30.300 -0.038 0.000 0.773 1177 R HN 0.255 nan 8.270 nan 0.000 0.358 1178 E N 0.843 121.020 120.200 -0.038 0.000 2.102 1178 E HA 0.106 4.453 4.350 -0.004 0.000 0.190 1178 E C 0.080 176.661 176.600 -0.033 0.000 0.971 1178 E CA 0.409 56.790 56.400 -0.032 0.000 0.821 1178 E CB 0.343 30.027 29.700 -0.027 0.000 0.777 1178 E HN -0.014 nan 8.360 nan 0.000 0.460 1179 V N 2.722 122.615 119.914 -0.036 0.000 2.617 1179 V HA -0.042 4.076 4.120 -0.004 0.000 0.304 1179 V C 0.236 176.311 176.094 -0.031 0.000 1.040 1179 V CA 0.792 63.073 62.300 -0.031 0.000 1.149 1179 V CB 0.089 31.892 31.823 -0.032 0.000 0.914 1179 V HN 0.193 nan 8.190 nan 0.000 0.487 1180 R N 3.591 124.081 120.500 -0.017 0.000 2.468 1180 R HA 0.499 4.837 4.340 -0.004 0.000 0.302 1180 R C -1.043 175.261 176.300 0.008 0.000 1.041 1180 R CA -0.649 55.445 56.100 -0.010 0.000 0.899 1180 R CB 1.828 32.122 30.300 -0.010 0.000 1.167 1180 R HN 0.520 nan 8.270 nan 0.000 0.483 1181 V N 1.233 121.156 119.914 0.016 0.000 3.051 1181 V HA 0.212 4.330 4.120 -0.004 0.000 0.306 1181 V C 1.241 177.355 176.094 0.034 0.000 1.083 1181 V CA 0.358 62.678 62.300 0.034 0.000 1.104 1181 V CB 1.596 33.437 31.823 0.029 0.000 1.027 1181 V HN 0.989 nan 8.190 nan 0.000 0.483 1182 G N 1.088 109.914 108.800 0.045 0.000 3.959 1182 G HA2 0.423 4.380 3.960 -0.004 0.000 0.298 1182 G HA3 0.423 4.380 3.960 -0.004 0.000 0.298 1182 G C 0.446 175.357 174.900 0.018 0.000 1.211 1182 G CA 0.388 45.508 45.100 0.034 0.000 1.001 1182 G HN 0.938 nan 8.290 nan 0.000 0.561 1183 E N -0.575 119.630 120.200 0.008 0.000 4.458 1183 E HA -0.343 4.004 4.350 -0.004 0.000 0.172 1183 E C 1.619 178.201 176.600 -0.031 0.000 1.192 1183 E CA 1.955 58.353 56.400 -0.003 0.000 2.456 1183 E CB -0.988 28.713 29.700 0.003 0.000 1.755 1183 E HN 0.615 nan 8.360 nan 0.000 0.473 1184 E N 1.275 121.449 120.200 -0.043 0.000 2.219 1184 E HA -0.156 4.191 4.350 -0.004 0.000 0.198 1184 E C 1.908 178.408 176.600 -0.165 0.000 0.998 1184 E CA 1.387 57.736 56.400 -0.085 0.000 0.818 1184 E CB -0.193 29.461 29.700 -0.077 0.000 0.741 1184 E HN 0.498 nan 8.360 nan 0.000 0.477 1185 A N 1.175 123.884 122.820 -0.185 0.000 2.070 1185 A HA -0.116 4.201 4.320 -0.004 0.000 0.220 1185 A C 2.109 179.611 177.584 -0.137 0.000 1.159 1185 A CA 0.884 52.777 52.037 -0.240 0.000 0.656 1185 A CB -0.570 18.349 19.000 -0.136 0.000 0.800 1185 A HN 0.336 nan 8.150 nan 0.000 0.453 1186 L N -0.450 120.722 121.223 -0.086 0.000 1.994 1186 L HA -0.091 4.246 4.340 -0.004 0.000 0.208 1186 L C 2.499 179.330 176.870 -0.065 0.000 1.071 1186 L CA 2.007 56.811 54.840 -0.061 0.000 0.745 1186 L CB -0.713 41.324 42.059 -0.037 0.000 0.892 1186 L HN 0.344 nan 8.230 nan 0.000 0.431 1187 G N -0.125 108.635 108.800 -0.066 0.000 2.440 1187 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.218 1187 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.218 1187 G C 1.504 176.370 174.900 -0.057 0.000 1.154 1187 G CA 1.112 46.178 45.100 -0.056 0.000 0.767 1187 G HN 0.425 nan 8.290 nan 0.000 0.552 1188 L N -0.407 120.763 121.223 -0.090 0.000 2.395 1188 L HA 0.133 4.471 4.340 -0.004 0.000 0.218 1188 L C 2.470 179.321 176.870 -0.031 0.000 1.130 1188 L CA -0.053 54.740 54.840 -0.077 0.000 0.826 1188 L CB -0.165 41.799 42.059 -0.160 0.000 0.941 1188 L HN 0.176 nan 8.230 nan 0.000 0.451 1189 L N -0.293 120.909 121.223 -0.034 0.000 2.202 1189 L HA 0.001 4.339 4.340 -0.004 0.000 0.205 1189 L C 2.153 179.061 176.870 0.063 0.000 1.083 1189 L CA 1.489 56.342 54.840 0.022 0.000 0.790 1189 L CB -0.278 41.767 42.059 -0.023 0.000 0.942 1189 L HN 0.130 nan 8.230 nan 0.000 0.452 1190 E N -0.273 119.929 120.200 0.003 0.000 2.516 1190 E HA 0.002 4.350 4.350 -0.004 0.000 0.199 1190 E C 1.109 177.706 176.600 -0.005 0.000 1.069 1190 E CA 0.499 56.892 56.400 -0.011 0.000 0.876 1190 E CB -0.005 29.664 29.700 -0.052 0.000 0.843 1190 E HN 0.507 nan 8.360 nan 0.000 0.530 1191 A N 1.233 124.059 122.820 0.009 0.000 2.579 1191 A HA 0.166 4.483 4.320 -0.004 0.000 0.273 1191 A C 0.020 177.612 177.584 0.014 0.000 1.363 1191 A CA 0.223 52.262 52.037 0.005 0.000 0.953 1191 A CB 0.079 19.081 19.000 0.003 0.000 1.034 1191 A HN 0.067 nan 8.150 nan 0.000 0.536 1192 E N -3.055 117.153 120.200 0.012 0.000 2.442 1192 E HA 0.411 4.759 4.350 -0.004 0.000 0.278 1192 E C 0.774 177.281 176.600 -0.156 0.000 1.082 1192 E CA -0.225 56.147 56.400 -0.047 0.000 0.861 1192 E CB 0.507 30.226 29.700 0.032 0.000 1.462 1192 E HN 0.120 nan 8.360 nan 0.000 0.458 1193 G N 0.195 108.781 108.800 -0.357 0.000 2.959 1193 G HA2 -0.073 3.884 3.960 -0.004 0.000 0.203 1193 G HA3 -0.073 3.884 3.960 -0.004 0.000 0.203 1193 G C -0.507 174.145 174.900 -0.413 0.000 1.176 1193 G CA 0.804 45.674 45.100 -0.384 0.000 0.860 1193 G HN 0.198 nan 8.290 nan 0.000 0.507 1194 Y N -0.424 119.855 120.300 -0.035 0.000 2.331 1194 Y HA 0.476 5.023 4.550 -0.004 0.000 0.338 1194 Y C 0.845 176.698 175.900 -0.079 0.000 0.992 1194 Y CA -1.200 56.875 58.100 -0.042 0.000 1.121 1194 Y CB 1.379 39.818 38.460 -0.035 0.000 1.184 1194 Y HN -0.180 nan 8.280 nan 0.000 0.469 1195 R N 2.247 122.779 120.500 0.054 0.000 2.308 1195 R HA 0.782 5.119 4.340 -0.004 0.000 0.305 1195 R C -0.766 175.407 176.300 -0.212 0.000 1.053 1195 R CA -0.417 55.619 56.100 -0.106 0.000 0.957 1195 R CB 0.992 31.245 30.300 -0.078 0.000 1.022 1195 R HN 0.835 nan 8.270 nan 0.000 0.461 1196 A N 3.261 125.804 122.820 -0.461 0.000 2.587 1196 A HA 0.703 5.020 4.320 -0.004 0.000 0.293 1196 A C -1.828 175.322 177.584 -0.723 0.000 1.087 1196 A CA -0.627 51.154 52.037 -0.428 0.000 0.692 1196 A CB 1.335 20.241 19.000 -0.155 0.000 1.291 1196 A HN 0.667 nan 8.150 nan 0.000 0.407 1197 Y N -0.642 119.670 120.300 0.019 0.000 2.534 1197 Y HA 0.558 5.105 4.550 -0.004 0.000 0.345 1197 Y C -0.534 175.371 175.900 0.007 0.000 1.031 1197 Y CA -0.716 57.389 58.100 0.008 0.000 1.022 1197 Y CB 2.094 40.553 38.460 -0.001 0.000 1.292 1197 Y HN 0.548 nan 8.280 nan 0.000 0.459 1198 L N 4.392 125.712 121.223 0.162 0.000 2.328 1198 L HA 0.500 4.838 4.340 -0.004 0.000 0.280 1198 L C -0.401 176.514 176.870 0.075 0.000 1.111 1198 L CA -0.428 54.468 54.840 0.094 0.000 0.909 1198 L CB -0.078 42.017 42.059 0.060 0.000 1.277 1198 L HN 0.499 nan 8.230 nan 0.000 0.433 1199 V N 3.448 123.394 119.914 0.053 0.000 2.716 1199 V HA 0.724 4.841 4.120 -0.004 0.000 0.304 1199 V C -2.394 173.684 176.094 -0.027 0.000 1.053 1199 V CA -2.353 59.939 62.300 -0.013 0.000 0.984 1199 V CB 0.940 32.719 31.823 -0.073 0.000 1.021 1199 V HN 0.527 nan 8.190 nan 0.000 0.467 1200 P HA 0.121 nan 4.420 nan 0.000 0.268 1200 P C -0.703 176.592 177.300 -0.008 0.000 1.205 1200 P CA 0.155 63.258 63.100 0.004 0.000 0.771 1200 P CB 0.245 31.963 31.700 0.030 0.000 0.858 1201 D N 2.006 122.430 120.400 0.040 0.000 2.401 1201 D HA -0.012 4.626 4.640 -0.004 0.000 0.254 1201 D C 1.279 177.637 176.300 0.097 0.000 1.192 1201 D CA 0.132 54.165 54.000 0.055 0.000 0.885 1201 D CB 0.362 41.204 40.800 0.070 0.000 1.147 1201 D HN 0.216 nan 8.370 nan 0.000 0.478 1202 R N 3.170 123.690 120.500 0.033 0.000 2.152 1202 R HA -0.114 4.223 4.340 -0.004 0.000 0.232 1202 R C 1.312 177.714 176.300 0.169 0.000 1.117 1202 R CA 0.855 57.007 56.100 0.087 0.000 0.981 1202 R CB 0.254 30.536 30.300 -0.029 0.000 0.870 1202 R HN 0.562 nan 8.270 nan 0.000 0.451 1203 E N 0.195 120.477 120.200 0.136 0.000 2.049 1203 E HA -0.193 4.154 4.350 -0.004 0.000 0.198 1203 E C 2.018 178.593 176.600 -0.041 0.000 1.007 1203 E CA 1.354 57.795 56.400 0.068 0.000 0.809 1203 E CB -0.431 29.302 29.700 0.055 0.000 0.749 1203 E HN 0.136 nan 8.360 nan 0.000 0.450 1204 V N 1.055 120.848 119.914 -0.202 0.000 2.428 1204 V HA -0.245 3.873 4.120 -0.004 0.000 0.255 1204 V C 1.214 176.952 176.094 -0.593 0.000 1.080 1204 V CA 1.505 63.515 62.300 -0.484 0.000 1.083 1204 V CB -0.498 30.846 31.823 -0.797 0.000 0.665 1204 V HN 0.025 nan 8.190 nan 0.000 0.461 1205 F N 0.000 119.780 119.950 -0.283 0.000 2.286 1205 F HA 0.000 4.524 4.527 -0.005 0.000 0.279 1205 F CA 0.000 57.749 58.000 -0.419 0.000 1.383 1205 F CB 0.000 38.593 39.000 -0.679 0.000 1.145 1205 F HN 0.000 nan 8.300 nan 0.000 0.574