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 3k71_1_G DATA FIRST_RESID 1 DATA SEQUENCE FNLDTEELTA FRVDSAGFGD SVVQYANSWV VVGAPQKITA ANQTGGLYQc DATA SEQUENCE GYSTGAcEPI GLQVPPEAVN MSLGLSLAST TSPSQLLAcG PTVHHEcGRN DATA SEQUENCE MYLTGLcFLL GPTQLTQRLP VSRQEcPRQE QDIVFLIDGS GSISSRNFAT DATA SEQUENCE MMNFVRAVIS QFQRPSTQFS LMQFSNKFQT HFTFEEFRRS SNPLSLLASV DATA SEQUENCE HQLQGFTYTA TAIQNVVHRL FHASYGARRD AAKILIVITD GKKEGDSLDY DATA SEQUENCE KDVIPMADAA GIIRYAIGVG LAFQNRNSWK ELNDIASKPS QEHIFKVEDF DATA SEQUENCE DALKDIQNQL KEKIFAIEGT ETTSSSSFEL EMAQEGFSAV FTPDGPVLGA DATA SEQUENCE VGSFTWSGGA FLYPPNMSPT FINMSQENVD MRDSYLGYST ELALWKGVQS DATA SEQUENCE LVLGAPRYQH TGKAVIFTQV SRQWRMKAEV TGTQIGSYFG ASLCSVDVDS DATA SEQUENCE DGSTDLVLIG APHYYEQTRG GQVSVcPLPR GWRRWWcDAV LYGEQGHPWG DATA SEQUENCE RFGAALTVLG DVNGDKLTDV VIGAPGEEEN RGAVYLFHGV LGPSISPSHS DATA SEQUENCE QRIAGSQLSS RLQYFGQALS GGQDLTQDGL VDLAVGARGQ VLLLRTRPVL DATA SEQUENCE WVGVSMQFIP AEIPRSAFEc REQVVSEQTL VQSNIcLYID KRSKNLLGSR DATA SEQUENCE DLQSSVTLDL ALDPGRLSPR ATFQETKNRS LSRVRVLGLK AHcENFNLLL DATA SEQUENCE PScVEDSVTP ITLRLNFTLV GKPLLAFRNL RPMLAADAQR YFTASLPFEK DATA SEQUENCE NcGADHIcQD NLGISFSFPG LKSLLVGSNL ELNAEVMVWN DGEDSYGTTI DATA SEQUENCE TFSHPAGLSY RYVAEGQKQG QLRSLHLTcD SAPVGSQGTW STScRINHLI DATA SEQUENCE FRGGAQITFL ATFDVSPKAV LGDRLLLTAN VSSENNTPRT SKTTFQLELP DATA SEQUENCE VKYAVYTVVS SHEQFTKYLN FSESEEKESH VAMHRYQVNN LGQRDLPVSI DATA SEQUENCE NFWVPVELNQ EAVWMDVEVS HPQNPSLRcS SEKIAPPASD FLAHIQKNPV DATA SEQUENCE LDcSIAGcLR FRcDVPSFSV QEELDFTLKG NLSFGWVRQI LQKKVSVVSV DATA SEQUENCE AEITFDTSVY SQLPGQEAFM RAQTTTVLEK YK 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 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.851 175.800 0.085 0.000 0.967 1 F CA 0.000 58.072 58.000 0.120 0.000 1.383 1 F CB 0.000 39.054 39.000 0.091 0.000 1.145 2 N N 1.956 120.623 118.700 -0.056 0.000 2.642 2 N HA 0.336 5.077 4.740 0.001 0.000 0.308 2 N C -1.254 174.259 175.510 0.005 0.000 1.914 2 N CA -0.105 52.948 53.050 0.005 0.000 0.893 2 N CB 0.844 39.296 38.487 -0.060 0.000 1.322 2 N HN 0.412 nan 8.380 nan 0.000 0.490 3 L N 0.799 122.042 121.223 0.034 0.000 2.276 3 L HA 0.270 4.610 4.340 0.001 0.000 0.286 3 L C 0.109 177.004 176.870 0.041 0.000 1.024 3 L CA -0.885 53.976 54.840 0.034 0.000 0.826 3 L CB 1.205 43.291 42.059 0.045 0.000 1.211 3 L HN 0.094 nan 8.230 nan 0.000 0.422 4 D N 1.927 122.347 120.400 0.034 0.000 2.533 4 D HA -0.018 4.622 4.640 0.001 0.000 0.236 4 D C 0.098 176.413 176.300 0.026 0.000 1.137 4 D CA 0.579 54.597 54.000 0.031 0.000 0.867 4 D CB 0.885 41.701 40.800 0.027 0.000 1.170 4 D HN 0.479 nan 8.370 nan 0.000 0.474 5 T N 4.258 118.824 114.554 0.019 0.000 3.448 5 T HA 0.228 4.578 4.350 0.001 0.000 0.271 5 T C 0.142 174.839 174.700 -0.004 0.000 1.002 5 T CA -0.580 61.523 62.100 0.005 0.000 0.995 5 T CB 0.290 69.160 68.868 0.004 0.000 1.153 5 T HN 0.373 nan 8.240 nan 0.000 0.510 6 E N 0.807 121.007 120.200 -0.001 0.000 3.706 6 E HA 0.092 4.442 4.350 0.001 0.000 0.266 6 E C -0.140 176.454 176.600 -0.010 0.000 1.251 6 E CA 0.039 56.434 56.400 -0.007 0.000 1.870 6 E CB 0.162 29.863 29.700 0.003 0.000 1.842 6 E HN 0.138 nan 8.360 nan 0.000 0.862 7 E N 2.391 122.592 120.200 0.002 0.000 2.069 7 E HA 0.298 4.648 4.350 0.001 0.000 0.254 7 E C -0.041 176.568 176.600 0.014 0.000 1.088 7 E CA -0.117 56.285 56.400 0.002 0.000 1.017 7 E CB -0.009 29.700 29.700 0.015 0.000 1.226 7 E HN 0.112 nan 8.360 nan 0.000 0.458 8 L N -1.296 119.926 121.223 -0.001 0.000 2.256 8 L HA 0.708 5.048 4.340 0.001 0.000 0.261 8 L C 0.299 177.152 176.870 -0.028 0.000 1.022 8 L CA -1.022 53.822 54.840 0.007 0.000 0.828 8 L CB 0.749 42.810 42.059 0.003 0.000 1.374 8 L HN -0.021 nan 8.230 nan 0.000 0.436 9 T N -1.914 112.616 114.554 -0.040 0.000 2.902 9 T HA 0.905 5.256 4.350 0.001 0.000 0.283 9 T C -0.294 174.248 174.700 -0.264 0.000 1.009 9 T CA -0.148 61.843 62.100 -0.181 0.000 1.051 9 T CB 1.492 70.245 68.868 -0.192 0.000 0.999 9 T HN 1.151 nan 8.240 nan 0.000 0.474 10 A N 2.080 124.665 122.820 -0.391 0.000 2.375 10 A HA 0.679 4.999 4.320 0.001 0.000 0.295 10 A C -1.250 176.117 177.584 -0.363 0.000 1.066 10 A CA -0.851 51.017 52.037 -0.282 0.000 0.722 10 A CB 0.683 19.604 19.000 -0.132 0.000 1.206 10 A HN 0.707 nan 8.150 nan 0.000 0.435 11 F N 2.308 122.296 119.950 0.063 0.000 2.308 11 F HA 0.410 4.937 4.527 0.001 0.000 0.370 11 F C 1.240 177.058 175.800 0.030 0.000 1.100 11 F CA -0.523 57.507 58.000 0.050 0.000 1.108 11 F CB 1.418 40.495 39.000 0.128 0.000 1.293 11 F HN 0.647 nan 8.300 nan 0.000 0.478 12 R N 1.930 122.479 120.500 0.080 0.000 3.256 12 R HA 0.524 4.865 4.340 0.001 0.000 0.263 12 R C -1.489 174.671 176.300 -0.234 0.000 1.388 12 R CA -0.358 55.718 56.100 -0.040 0.000 1.580 12 R CB 0.040 30.318 30.300 -0.036 0.000 1.255 12 R HN 0.298 nan 8.270 nan 0.000 0.640 13 V N 2.353 121.918 119.914 -0.582 0.000 2.353 13 V HA 0.020 4.141 4.120 0.001 0.000 0.264 13 V C 0.129 175.714 176.094 -0.849 0.000 1.049 13 V CA -0.447 61.329 62.300 -0.874 0.000 0.896 13 V CB 0.898 31.886 31.823 -1.390 0.000 1.025 13 V HN 0.519 nan 8.190 nan 0.000 0.475 14 D N 3.903 124.063 120.400 -0.400 0.000 2.416 14 D HA 0.142 4.782 4.640 0.001 0.000 0.240 14 D C 0.262 176.483 176.300 -0.131 0.000 1.250 14 D CA 0.306 54.184 54.000 -0.204 0.000 0.967 14 D CB 0.506 41.239 40.800 -0.112 0.000 1.059 14 D HN 0.478 nan 8.370 nan 0.000 0.512 15 S N 2.213 117.886 115.700 -0.046 0.000 2.327 15 S HA 0.577 5.048 4.470 0.001 0.000 0.203 15 S C 0.551 175.256 174.600 0.174 0.000 1.326 15 S CA -0.026 58.237 58.200 0.104 0.000 1.248 15 S CB 0.536 63.885 63.200 0.248 0.000 1.199 15 S HN 0.706 nan 8.310 nan 0.000 0.422 16 A N 1.593 124.484 122.820 0.118 0.000 5.022 16 A HA -0.206 4.114 4.320 0.001 0.000 0.312 16 A C 1.500 179.176 177.584 0.152 0.000 1.965 16 A CA 0.858 52.965 52.037 0.116 0.000 0.712 16 A CB -1.797 17.264 19.000 0.102 0.000 1.305 16 A HN 1.236 nan 8.150 nan 0.000 0.364 17 G N -1.076 107.816 108.800 0.152 0.000 3.332 17 G HA2 0.426 4.387 3.960 0.001 0.000 0.242 17 G HA3 0.426 4.387 3.960 0.001 0.000 0.242 17 G C 0.208 175.211 174.900 0.171 0.000 1.276 17 G CA 0.732 45.919 45.100 0.145 0.000 0.988 17 G HN 1.083 nan 8.290 nan 0.000 0.517 18 F N 1.102 121.099 119.950 0.079 0.000 2.539 18 F HA 0.396 4.923 4.527 0.001 0.000 0.340 18 F C 1.345 177.192 175.800 0.080 0.000 1.185 18 F CA 0.830 58.884 58.000 0.091 0.000 1.333 18 F CB 0.868 39.918 39.000 0.084 0.000 1.152 18 F HN 0.251 nan 8.300 nan 0.000 0.602 19 G N 3.885 112.228 108.800 -0.762 0.000 2.356 19 G HA2 -0.340 3.620 3.960 0.001 0.000 0.296 19 G HA3 -0.340 3.620 3.960 0.001 0.000 0.296 19 G C 0.366 175.213 174.900 -0.088 0.000 1.022 19 G CA 0.692 45.570 45.100 -0.371 0.000 0.961 19 G HN 0.869 nan 8.290 nan 0.000 0.510 20 D N -0.971 119.371 120.400 -0.096 0.000 2.454 20 D HA 0.288 4.928 4.640 0.001 0.000 0.214 20 D C 0.713 176.989 176.300 -0.040 0.000 1.088 20 D CA 1.096 55.091 54.000 -0.008 0.000 0.855 20 D CB 0.571 41.387 40.800 0.026 0.000 1.025 20 D HN 0.388 nan 8.370 nan 0.000 0.502 21 S N -0.122 115.525 115.700 -0.087 0.000 2.592 21 S HA 0.570 5.040 4.470 0.001 0.000 0.275 21 S C -1.809 172.737 174.600 -0.089 0.000 1.169 21 S CA -0.595 57.557 58.200 -0.080 0.000 0.958 21 S CB 1.210 64.358 63.200 -0.086 0.000 1.095 21 S HN -0.080 nan 8.310 nan 0.000 0.471 22 V N 4.888 124.767 119.914 -0.057 0.000 3.078 22 V HA 0.998 5.119 4.120 0.001 0.000 0.311 22 V C -1.237 174.858 176.094 0.002 0.000 1.138 22 V CA -0.246 62.033 62.300 -0.035 0.000 1.007 22 V CB 2.030 33.840 31.823 -0.022 0.000 1.045 22 V HN 0.953 nan 8.190 nan 0.000 0.432 23 V N 4.021 123.954 119.914 0.031 0.000 3.178 23 V HA 0.542 4.663 4.120 0.001 0.000 0.302 23 V C -1.283 174.870 176.094 0.098 0.000 1.262 23 V CA -0.600 61.735 62.300 0.059 0.000 1.030 23 V CB 2.637 34.501 31.823 0.068 0.000 1.074 23 V HN 0.935 nan 8.190 nan 0.000 0.438 24 Q N 3.685 123.543 119.800 0.097 0.000 2.369 24 Q HA 0.206 4.547 4.340 0.001 0.000 0.247 24 Q C -0.748 175.349 176.000 0.162 0.000 1.083 24 Q CA 0.008 55.882 55.803 0.118 0.000 0.905 24 Q CB 0.855 29.636 28.738 0.071 0.000 1.305 24 Q HN 0.692 nan 8.270 nan 0.000 0.465 25 Y N 2.101 122.439 120.300 0.064 0.000 2.183 25 Y HA 0.168 4.718 4.550 0.001 0.000 0.380 25 Y C 0.454 176.388 175.900 0.056 0.000 1.308 25 Y CA -0.641 57.493 58.100 0.057 0.000 1.813 25 Y CB 0.253 38.774 38.460 0.101 0.000 1.584 25 Y HN 0.671 nan 8.280 nan 0.000 0.665 26 A N 2.611 124.950 122.820 -0.801 0.000 2.622 26 A HA -0.170 4.151 4.320 0.001 0.000 0.235 26 A C 1.269 178.768 177.584 -0.142 0.000 1.013 26 A CA 0.456 52.160 52.037 -0.555 0.000 0.765 26 A CB -0.363 18.152 19.000 -0.807 0.000 0.921 26 A HN 0.879 nan 8.150 nan 0.000 0.506 27 N N 1.471 120.127 118.700 -0.073 0.000 2.182 27 N HA -0.153 4.587 4.740 0.001 0.000 0.192 27 N C 1.726 177.262 175.510 0.044 0.000 1.007 27 N CA 1.915 54.962 53.050 -0.005 0.000 0.873 27 N CB -0.323 38.151 38.487 -0.022 0.000 0.998 27 N HN 0.656 nan 8.380 nan 0.000 0.436 28 S N -1.041 114.716 115.700 0.095 0.000 2.453 28 S HA -0.011 4.459 4.470 0.001 0.000 0.231 28 S C 0.045 174.599 174.600 -0.077 0.000 1.005 28 S CA 0.619 58.849 58.200 0.050 0.000 0.949 28 S CB 0.109 63.418 63.200 0.183 0.000 0.774 28 S HN 0.374 nan 8.310 nan 0.000 0.510 29 W N -1.089 120.296 121.300 0.142 0.000 3.029 29 W HA 0.679 5.340 4.660 0.001 0.000 0.339 29 W C -1.000 175.637 176.519 0.196 0.000 1.198 29 W CA -0.710 56.752 57.345 0.195 0.000 1.148 29 W CB 1.044 30.675 29.460 0.284 0.000 1.451 29 W HN -0.305 nan 8.180 nan 0.000 0.564 30 V N 2.436 122.590 119.914 0.399 0.000 2.588 30 V HA 0.732 4.853 4.120 0.001 0.000 0.304 30 V C -1.559 174.644 176.094 0.183 0.000 1.042 30 V CA -0.950 61.508 62.300 0.263 0.000 0.877 30 V CB 1.751 33.698 31.823 0.208 0.000 0.996 30 V HN 0.340 nan 8.190 nan 0.000 0.425 31 V N 7.343 127.325 119.914 0.114 0.000 2.398 31 V HA 0.569 4.690 4.120 0.001 0.000 0.286 31 V C 0.081 176.167 176.094 -0.013 0.000 1.026 31 V CA -0.157 62.152 62.300 0.016 0.000 0.868 31 V CB 1.754 33.535 31.823 -0.070 0.000 0.982 31 V HN 0.887 nan 8.190 nan 0.000 0.443 32 V N 2.437 122.321 119.914 -0.050 0.000 3.093 32 V HA 1.051 5.172 4.120 0.001 0.000 0.320 32 V C 0.321 176.310 176.094 -0.176 0.000 1.093 32 V CA -0.553 61.641 62.300 -0.177 0.000 1.016 32 V CB 1.771 33.339 31.823 -0.424 0.000 1.096 32 V HN 0.887 nan 8.190 nan 0.000 0.452 33 G N -0.006 108.655 108.800 -0.232 0.000 2.513 33 G HA2 0.751 4.712 3.960 0.001 0.000 0.317 33 G HA3 0.751 4.712 3.960 0.001 0.000 0.317 33 G C -0.579 174.247 174.900 -0.124 0.000 1.277 33 G CA -0.386 44.630 45.100 -0.139 0.000 0.955 33 G HN 1.635 nan 8.290 nan 0.000 0.484 34 A N 3.709 126.521 122.820 -0.014 0.000 3.030 34 A HA 0.676 4.997 4.320 0.001 0.000 0.335 34 A C -1.766 175.850 177.584 0.052 0.000 1.089 34 A CA -1.184 50.899 52.037 0.077 0.000 0.807 34 A CB 1.401 20.549 19.000 0.246 0.000 1.099 34 A HN 0.368 nan 8.150 nan 0.000 0.474 35 P HA -0.167 nan 4.420 nan 0.000 0.216 35 P C 0.711 178.040 177.300 0.048 0.000 1.150 35 P CA 1.408 64.527 63.100 0.031 0.000 0.843 35 P CB 0.262 31.977 31.700 0.026 0.000 0.787 36 Q N -0.834 119.005 119.800 0.063 0.000 2.242 36 Q HA 0.109 4.450 4.340 0.001 0.000 0.246 36 Q C 0.314 176.356 176.000 0.071 0.000 0.883 36 Q CA 0.126 55.968 55.803 0.065 0.000 0.984 36 Q CB -0.408 28.372 28.738 0.070 0.000 1.096 36 Q HN 0.140 nan 8.270 nan 0.000 0.452 37 K N 1.560 122.003 120.400 0.071 0.000 2.222 37 K HA 0.176 4.496 4.320 0.001 0.000 0.243 37 K C -0.636 175.988 176.600 0.041 0.000 1.160 37 K CA -0.262 56.069 56.287 0.075 0.000 1.090 37 K CB -0.181 32.377 32.500 0.096 0.000 1.694 37 K HN 0.268 nan 8.250 nan 0.000 0.361 38 I N 3.361 123.953 120.570 0.037 0.000 2.996 38 I HA -0.180 3.991 4.170 0.001 0.000 0.310 38 I C 0.407 176.531 176.117 0.012 0.000 1.225 38 I CA 1.053 62.366 61.300 0.022 0.000 1.442 38 I CB 0.006 38.017 38.000 0.020 0.000 1.334 38 I HN 0.567 nan 8.210 nan 0.000 0.550 39 T N 3.469 118.025 114.554 0.003 0.000 2.991 39 T HA 0.712 5.063 4.350 0.001 0.000 0.303 39 T C -0.049 174.648 174.700 -0.006 0.000 1.015 39 T CA -0.130 61.966 62.100 -0.006 0.000 1.007 39 T CB 1.870 70.726 68.868 -0.020 0.000 1.034 39 T HN 1.262 nan 8.240 nan 0.000 0.446 40 A N 2.289 125.105 122.820 -0.007 0.000 5.699 40 A HA 0.251 4.571 4.320 0.001 0.000 0.280 40 A C 0.754 178.334 177.584 -0.007 0.000 2.071 40 A CA 0.157 52.190 52.037 -0.007 0.000 0.714 40 A CB -1.692 17.304 19.000 -0.007 0.000 1.162 40 A HN 2.577 nan 8.150 nan 0.000 0.363 41 A N 0.173 122.988 122.820 -0.008 0.000 2.391 41 A HA 0.519 4.839 4.320 0.001 0.000 0.316 41 A C 0.607 178.180 177.584 -0.020 0.000 1.381 41 A CA 0.483 52.511 52.037 -0.014 0.000 0.998 41 A CB -0.772 18.220 19.000 -0.014 0.000 1.147 41 A HN 1.675 nan 8.150 nan 0.000 0.545 42 N N 1.322 120.008 118.700 -0.023 0.000 2.700 42 N HA -0.202 4.539 4.740 0.001 0.000 0.265 42 N C 0.320 175.813 175.510 -0.028 0.000 0.975 42 N CA 1.567 54.596 53.050 -0.035 0.000 0.800 42 N CB -0.556 37.891 38.487 -0.067 0.000 0.908 42 N HN 0.945 nan 8.380 nan 0.000 0.551 43 Q N -0.795 119.003 119.800 -0.003 0.000 3.078 43 Q HA 0.309 4.649 4.340 0.001 0.000 0.202 43 Q C 1.000 177.019 176.000 0.033 0.000 1.165 43 Q CA -0.081 55.733 55.803 0.018 0.000 0.377 43 Q CB 0.453 29.200 28.738 0.015 0.000 5.614 43 Q HN 0.425 nan 8.270 nan 0.000 0.305 44 T N -2.512 112.059 114.554 0.030 0.000 2.801 44 T HA 0.444 4.794 4.350 0.001 0.000 0.324 44 T C 0.792 175.500 174.700 0.014 0.000 1.088 44 T CA -0.031 62.088 62.100 0.031 0.000 0.975 44 T CB 0.498 69.374 68.868 0.014 0.000 1.316 44 T HN 0.639 nan 8.240 nan 0.000 0.533 45 G N -1.109 107.692 108.800 0.002 0.000 2.478 45 G HA2 0.623 4.583 3.960 0.001 0.000 0.211 45 G HA3 0.623 4.583 3.960 0.001 0.000 0.211 45 G C 0.517 175.389 174.900 -0.046 0.000 1.726 45 G CA -0.029 45.070 45.100 -0.001 0.000 0.725 45 G HN 1.631 nan 8.290 nan 0.000 0.654 46 G N -1.274 107.474 108.800 -0.086 0.000 2.321 46 G HA2 0.363 4.324 3.960 0.001 0.000 0.339 46 G HA3 0.363 4.324 3.960 0.001 0.000 0.339 46 G C -1.455 173.310 174.900 -0.224 0.000 1.518 46 G CA -0.760 44.226 45.100 -0.190 0.000 0.994 46 G HN 0.550 nan 8.290 nan 0.000 0.668 47 L N -0.331 120.693 121.223 -0.333 0.000 2.303 47 L HA 0.806 5.146 4.340 0.001 0.000 0.266 47 L C -0.988 175.629 176.870 -0.422 0.000 1.011 47 L CA -1.181 53.494 54.840 -0.276 0.000 0.818 47 L CB 2.194 44.121 42.059 -0.221 0.000 1.326 47 L HN 0.579 nan 8.230 nan 0.000 0.435 48 Y N 0.191 120.476 120.300 -0.026 0.000 2.386 48 Y HA 0.281 4.832 4.550 0.001 0.000 0.334 48 Y C -0.457 175.427 175.900 -0.026 0.000 1.002 48 Y CA -0.906 57.203 58.100 0.015 0.000 1.068 48 Y CB 2.060 40.630 38.460 0.183 0.000 1.203 48 Y HN 0.457 nan 8.280 nan 0.000 0.443 49 Q N 2.005 121.880 119.800 0.125 0.000 2.241 49 Q HA 0.785 5.126 4.340 0.001 0.000 0.254 49 Q C -1.275 174.890 176.000 0.275 0.000 0.917 49 Q CA -0.567 55.309 55.803 0.122 0.000 0.919 49 Q CB 1.554 30.211 28.738 -0.135 0.000 1.237 49 Q HN 0.619 nan 8.270 nan 0.000 0.434 50 c N 2.476 121.240 118.600 0.274 0.000 2.482 50 c HA 0.857 5.428 4.570 0.001 0.000 0.317 50 c C 0.394 174.466 174.090 -0.030 0.000 1.197 50 c CA -0.540 55.728 56.329 -0.101 0.000 1.432 50 c CB 1.130 43.090 42.510 -0.918 0.000 2.062 50 c HN 1.012 nan 8.230 nan 0.000 0.471 51 G N 0.201 108.861 108.800 -0.233 0.000 2.441 51 G HA2 0.470 4.430 3.960 0.001 0.000 0.334 51 G HA3 0.470 4.430 3.960 0.001 0.000 0.334 51 G C -0.193 174.716 174.900 0.015 0.000 1.161 51 G CA -0.173 44.653 45.100 -0.458 0.000 0.935 51 G HN 0.796 nan 8.290 nan 0.000 0.488 52 Y N 1.117 121.359 120.300 -0.096 0.000 2.243 52 Y HA -0.060 4.490 4.550 0.001 0.000 0.293 52 Y C 2.885 178.775 175.900 -0.015 0.000 1.124 52 Y CA 2.145 60.258 58.100 0.021 0.000 1.159 52 Y CB -0.107 38.341 38.460 -0.021 0.000 1.008 52 Y HN 0.458 nan 8.280 nan 0.000 0.527 53 S N -0.302 115.347 115.700 -0.084 0.000 2.401 53 S HA -0.249 4.222 4.470 0.001 0.000 0.236 53 S C 0.891 175.370 174.600 -0.202 0.000 1.058 53 S CA 1.979 60.094 58.200 -0.141 0.000 1.151 53 S CB -1.188 61.966 63.200 -0.077 0.000 1.049 53 S HN 0.672 nan 8.310 nan 0.000 0.432 54 T N -0.605 113.877 114.554 -0.119 0.000 2.792 54 T HA 0.625 4.976 4.350 0.001 0.000 0.280 54 T C 0.049 174.763 174.700 0.022 0.000 0.990 54 T CA -0.479 61.578 62.100 -0.072 0.000 0.960 54 T CB 1.802 70.655 68.868 -0.025 0.000 0.939 54 T HN 0.217 nan 8.240 nan 0.000 0.439 55 G N 1.735 110.535 108.800 -0.001 0.000 2.852 55 G HA2 0.520 4.481 3.960 0.001 0.000 0.280 55 G HA3 0.520 4.481 3.960 0.001 0.000 0.280 55 G C 0.041 175.116 174.900 0.293 0.000 0.731 55 G CA -0.209 44.968 45.100 0.127 0.000 2.037 55 G HN 1.249 nan 8.290 nan 0.000 0.560 56 A N 0.781 123.851 122.820 0.416 0.000 2.594 56 A HA 0.593 4.913 4.320 0.001 0.000 0.296 56 A C -0.809 176.764 177.584 -0.019 0.000 1.061 56 A CA -0.581 51.560 52.037 0.174 0.000 0.689 56 A CB 0.996 20.041 19.000 0.075 0.000 1.280 56 A HN 0.570 nan 8.150 nan 0.000 0.406 57 c N 1.984 120.520 118.600 -0.106 0.000 2.281 57 c HA 0.689 5.259 4.570 0.001 0.000 0.325 57 c C -0.111 173.980 174.090 0.003 0.000 1.282 57 c CA -0.621 55.619 56.329 -0.148 0.000 1.640 57 c CB 0.481 42.823 42.510 -0.281 0.000 2.288 57 c HN 0.747 nan 8.230 nan 0.000 0.507 58 E N 3.507 123.792 120.200 0.142 0.000 2.197 58 E HA 0.336 4.686 4.350 0.001 0.000 0.281 58 E C -2.274 174.496 176.600 0.283 0.000 0.995 58 E CA -1.919 54.590 56.400 0.181 0.000 0.808 58 E CB 1.007 30.796 29.700 0.148 0.000 1.093 58 E HN 0.408 nan 8.360 nan 0.000 0.394 59 P HA 0.064 nan 4.420 nan 0.000 0.269 59 P C -0.175 177.077 177.300 -0.080 0.000 1.211 59 P CA 0.166 63.302 63.100 0.061 0.000 0.781 59 P CB 0.600 32.319 31.700 0.031 0.000 0.877 60 I N 0.689 121.131 120.570 -0.215 0.000 2.433 60 I HA 0.483 4.654 4.170 0.001 0.000 0.292 60 I C 0.377 176.365 176.117 -0.214 0.000 1.001 60 I CA -0.737 60.436 61.300 -0.212 0.000 1.119 60 I CB 1.308 39.156 38.000 -0.252 0.000 1.289 60 I HN 0.337 nan 8.210 nan 0.000 0.438 61 G N 7.886 116.580 108.800 -0.177 0.000 2.365 61 G HA2 0.440 4.401 3.960 0.001 0.000 0.249 61 G HA3 0.440 4.401 3.960 0.001 0.000 0.249 61 G C -0.926 173.857 174.900 -0.195 0.000 1.288 61 G CA -0.192 44.812 45.100 -0.159 0.000 0.887 61 G HN 0.570 nan 8.290 nan 0.000 0.524 62 L N 1.455 122.556 121.223 -0.203 0.000 2.482 62 L HA 0.267 4.608 4.340 0.001 0.000 0.263 62 L C -0.727 176.026 176.870 -0.195 0.000 0.957 62 L CA -0.889 53.792 54.840 -0.265 0.000 0.836 62 L CB 2.651 44.469 42.059 -0.402 0.000 1.324 62 L HN 0.412 nan 8.230 nan 0.000 0.406 63 Q N 2.189 121.893 119.800 -0.160 0.000 2.963 63 Q HA 0.253 4.594 4.340 0.001 0.000 0.262 63 Q C -0.601 175.375 176.000 -0.039 0.000 1.318 63 Q CA -0.192 55.566 55.803 -0.075 0.000 1.089 63 Q CB 0.643 29.364 28.738 -0.028 0.000 1.424 63 Q HN 0.311 nan 8.270 nan 0.000 0.560 64 V N 3.337 123.207 119.914 -0.073 0.000 2.409 64 V HA 0.083 4.204 4.120 0.001 0.000 0.270 64 V C -1.843 174.277 176.094 0.044 0.000 1.019 64 V CA -1.291 61.007 62.300 -0.003 0.000 1.066 64 V CB -0.324 31.475 31.823 -0.039 0.000 1.021 64 V HN 0.479 nan 8.190 nan 0.000 0.476 65 P HA 0.184 nan 4.420 nan 0.000 0.268 65 P C -1.995 175.333 177.300 0.046 0.000 1.205 65 P CA -1.351 61.784 63.100 0.058 0.000 0.771 65 P CB 0.161 31.898 31.700 0.061 0.000 0.858 66 P HA -0.194 nan 4.420 nan 0.000 0.218 66 P C 1.252 178.574 177.300 0.037 0.000 1.146 66 P CA 1.369 64.485 63.100 0.027 0.000 0.813 66 P CB 0.015 31.726 31.700 0.018 0.000 0.778 67 E N 0.233 120.454 120.200 0.035 0.000 2.038 67 E HA -0.122 4.229 4.350 0.001 0.000 0.195 67 E C 1.118 177.754 176.600 0.059 0.000 1.000 67 E CA 0.983 57.406 56.400 0.039 0.000 0.803 67 E CB -1.082 28.628 29.700 0.018 0.000 0.750 67 E HN 0.167 nan 8.360 nan 0.000 0.448 68 A N 2.228 125.085 122.820 0.061 0.000 2.444 68 A HA 0.338 4.658 4.320 0.001 0.000 0.273 68 A C 0.021 177.663 177.584 0.096 0.000 1.136 68 A CA -0.121 51.964 52.037 0.081 0.000 0.799 68 A CB 0.307 19.360 19.000 0.089 0.000 1.081 68 A HN -0.031 nan 8.150 nan 0.000 0.509 69 V N 2.868 122.858 119.914 0.127 0.000 2.864 69 V HA 0.340 4.460 4.120 0.001 0.000 0.314 69 V C 0.925 177.134 176.094 0.192 0.000 1.073 69 V CA -0.535 61.837 62.300 0.120 0.000 0.956 69 V CB 1.666 33.544 31.823 0.092 0.000 1.023 69 V HN 1.056 nan 8.190 nan 0.000 0.435 70 N N 2.074 120.835 118.700 0.101 0.000 2.685 70 N HA -0.254 4.486 4.740 0.001 0.000 0.251 70 N C 0.909 176.560 175.510 0.236 0.000 1.020 70 N CA 1.574 54.685 53.050 0.102 0.000 0.762 70 N CB -0.424 37.980 38.487 -0.139 0.000 0.958 70 N HN 0.859 nan 8.380 nan 0.000 0.539 71 M N -2.215 117.490 119.600 0.174 0.000 2.558 71 M HA 0.149 4.630 4.480 0.001 0.000 0.255 71 M C 0.320 176.685 176.300 0.109 0.000 1.113 71 M CA 0.739 56.125 55.300 0.143 0.000 1.097 71 M CB 0.125 32.796 32.600 0.118 0.000 1.426 71 M HN 0.063 nan 8.290 nan 0.000 0.488 72 S N 2.925 118.681 115.700 0.093 0.000 3.292 72 S HA -0.090 4.381 4.470 0.001 0.000 0.360 72 S C 0.200 174.831 174.600 0.053 0.000 0.930 72 S CA 0.574 58.813 58.200 0.065 0.000 1.317 72 S CB -2.380 60.862 63.200 0.070 0.000 0.920 72 S HN 0.684 nan 8.310 nan 0.000 0.540 73 L N -1.115 120.140 121.223 0.054 0.000 2.474 73 L HA 0.745 5.086 4.340 0.001 0.000 0.259 73 L C 1.530 178.405 176.870 0.009 0.000 1.232 73 L CA 0.740 55.614 54.840 0.058 0.000 0.821 73 L CB -0.306 41.815 42.059 0.103 0.000 1.108 73 L HN 0.632 nan 8.230 nan 0.000 0.495 74 G N -0.265 108.535 108.800 -0.000 0.000 2.268 74 G HA2 -0.307 3.654 3.960 0.001 0.000 0.240 74 G HA3 -0.307 3.654 3.960 0.001 0.000 0.240 74 G C 0.654 175.522 174.900 -0.054 0.000 1.010 74 G CA 0.493 45.572 45.100 -0.035 0.000 0.618 74 G HN 0.965 nan 8.290 nan 0.000 0.516 75 L N 1.617 122.809 121.223 -0.053 0.000 2.042 75 L HA 0.366 4.706 4.340 0.001 0.000 0.210 75 L C 1.422 178.193 176.870 -0.165 0.000 1.076 75 L CA 2.818 57.600 54.840 -0.096 0.000 0.749 75 L CB -0.254 41.752 42.059 -0.088 0.000 0.893 75 L HN 0.529 nan 8.230 nan 0.000 0.432 76 S N -0.991 114.615 115.700 -0.155 0.000 2.473 76 S HA 0.674 5.144 4.470 0.001 0.000 0.307 76 S C -0.747 173.802 174.600 -0.086 0.000 1.094 76 S CA -0.800 57.293 58.200 -0.179 0.000 1.070 76 S CB 0.566 63.630 63.200 -0.226 0.000 1.019 76 S HN 0.183 nan 8.310 nan 0.000 0.480 77 L N 2.779 123.965 121.223 -0.062 0.000 2.327 77 L HA 0.994 5.334 4.340 0.001 0.000 0.258 77 L C -0.644 176.256 176.870 0.049 0.000 1.024 77 L CA -0.919 53.921 54.840 -0.000 0.000 0.825 77 L CB 2.231 44.288 42.059 -0.004 0.000 1.386 77 L HN 0.801 nan 8.230 nan 0.000 0.417 78 A N 0.851 123.753 122.820 0.137 0.000 2.573 78 A HA 0.642 4.962 4.320 0.001 0.000 0.299 78 A C -1.452 176.392 177.584 0.433 0.000 1.060 78 A CA -0.358 51.834 52.037 0.260 0.000 0.736 78 A CB 1.844 20.999 19.000 0.259 0.000 1.280 78 A HN 0.439 nan 8.150 nan 0.000 0.401 79 S N 0.292 116.141 115.700 0.249 0.000 2.536 79 S HA 0.842 5.312 4.470 0.001 0.000 0.287 79 S C -0.340 173.984 174.600 -0.460 0.000 1.101 79 S CA 0.208 58.376 58.200 -0.054 0.000 0.950 79 S CB 1.792 65.022 63.200 0.050 0.000 1.056 79 S HN 1.513 nan 8.310 nan 0.000 0.481 80 T N 0.833 114.770 114.554 -1.027 0.000 2.950 80 T HA 0.595 4.946 4.350 0.001 0.000 0.288 80 T C 1.151 175.614 174.700 -0.395 0.000 1.035 80 T CA 0.122 61.752 62.100 -0.784 0.000 1.028 80 T CB 1.266 69.468 68.868 -1.109 0.000 1.109 80 T HN 0.813 nan 8.240 nan 0.000 0.514 81 T N -0.770 113.642 114.554 -0.237 0.000 2.971 81 T HA 0.195 4.545 4.350 0.001 0.000 0.252 81 T C 1.920 176.551 174.700 -0.115 0.000 1.022 81 T CA 0.427 62.435 62.100 -0.154 0.000 0.980 81 T CB -0.187 68.623 68.868 -0.097 0.000 1.044 81 T HN 0.392 nan 8.240 nan 0.000 0.501 82 S N 3.155 118.795 115.700 -0.100 0.000 2.523 82 S HA 0.017 4.488 4.470 0.001 0.000 0.226 82 S C -1.495 173.080 174.600 -0.042 0.000 1.062 82 S CA 0.883 59.055 58.200 -0.046 0.000 1.207 82 S CB -1.207 61.986 63.200 -0.012 0.000 1.151 82 S HN 0.489 nan 8.310 nan 0.000 0.408 83 P HA 0.320 nan 4.420 nan 0.000 0.288 83 P C -1.139 176.110 177.300 -0.085 0.000 1.267 83 P CA -0.366 62.709 63.100 -0.042 0.000 0.815 83 P CB 0.988 32.682 31.700 -0.010 0.000 0.989 84 S N 2.396 118.030 115.700 -0.110 0.000 2.506 84 S HA 0.135 4.605 4.470 0.001 0.000 0.291 84 S C -0.104 174.418 174.600 -0.129 0.000 1.230 84 S CA -0.285 57.807 58.200 -0.180 0.000 1.107 84 S CB -0.418 62.638 63.200 -0.240 0.000 0.942 84 S HN 0.399 nan 8.310 nan 0.000 0.502 85 Q N 1.577 121.298 119.800 -0.131 0.000 2.587 85 Q HA 0.770 5.111 4.340 0.001 0.000 0.293 85 Q C -1.202 174.875 176.000 0.129 0.000 1.083 85 Q CA -1.008 54.823 55.803 0.046 0.000 0.792 85 Q CB 2.274 31.079 28.738 0.112 0.000 1.484 85 Q HN 0.737 nan 8.270 nan 0.000 0.446 86 L N 0.766 122.181 121.223 0.319 0.000 2.376 86 L HA 0.660 5.001 4.340 0.001 0.000 0.258 86 L C -2.104 174.972 176.870 0.342 0.000 1.013 86 L CA -1.024 54.012 54.840 0.327 0.000 0.822 86 L CB 2.244 44.420 42.059 0.195 0.000 1.388 86 L HN 0.533 nan 8.230 nan 0.000 0.413 87 L N 3.239 124.653 121.223 0.319 0.000 2.446 87 L HA 0.828 5.168 4.340 0.001 0.000 0.268 87 L C -0.757 176.175 176.870 0.103 0.000 0.975 87 L CA -0.080 54.872 54.840 0.186 0.000 0.848 87 L CB 1.234 43.355 42.059 0.103 0.000 1.225 87 L HN 0.678 nan 8.230 nan 0.000 0.410 88 A N 3.580 126.456 122.820 0.094 0.000 2.299 88 A HA 0.911 5.232 4.320 0.001 0.000 0.332 88 A C -0.949 176.711 177.584 0.127 0.000 1.131 88 A CA -0.408 51.680 52.037 0.085 0.000 0.844 88 A CB 1.300 20.335 19.000 0.058 0.000 1.251 88 A HN 0.752 nan 8.150 nan 0.000 0.486 89 c N -0.292 118.362 118.600 0.091 0.000 2.891 89 c HA 0.660 5.231 4.570 0.001 0.000 0.342 89 c C 0.523 174.653 174.090 0.067 0.000 1.126 89 c CA -0.500 55.860 56.329 0.051 0.000 1.322 89 c CB 1.511 44.005 42.510 -0.026 0.000 1.763 89 c HN 1.172 nan 8.230 nan 0.000 0.491 90 G N 2.639 111.486 108.800 0.079 0.000 3.005 90 G HA2 0.480 4.441 3.960 0.001 0.000 0.342 90 G HA3 0.480 4.441 3.960 0.001 0.000 0.342 90 G C -2.167 172.749 174.900 0.027 0.000 1.101 90 G CA -0.913 44.229 45.100 0.070 0.000 1.225 90 G HN 0.563 nan 8.290 nan 0.000 0.462 91 P HA 0.081 nan 4.420 nan 0.000 0.258 91 P C 0.808 178.142 177.300 0.058 0.000 1.319 91 P CA 0.681 63.813 63.100 0.054 0.000 0.785 91 P CB 0.345 32.106 31.700 0.102 0.000 1.252 92 T N -4.546 110.031 114.554 0.038 0.000 3.633 92 T HA 0.238 4.589 4.350 0.001 0.000 0.278 92 T C 0.081 174.748 174.700 -0.055 0.000 0.991 92 T CA -0.420 61.680 62.100 -0.000 0.000 1.036 92 T CB -0.795 68.134 68.868 0.101 0.000 1.148 92 T HN -0.295 nan 8.240 nan 0.000 0.501 93 V N 2.270 122.160 119.914 -0.041 0.000 2.763 93 V HA 0.223 4.344 4.120 0.001 0.000 0.306 93 V C 0.018 176.055 176.094 -0.095 0.000 1.059 93 V CA 0.025 62.337 62.300 0.021 0.000 1.138 93 V CB -0.179 31.660 31.823 0.026 0.000 0.940 93 V HN 0.662 nan 8.190 nan 0.000 0.489 94 H N 2.540 121.663 119.070 0.089 0.000 2.646 94 H HA 0.555 5.112 4.556 0.001 0.000 0.328 94 H C -0.323 175.061 175.328 0.093 0.000 0.998 94 H CA -0.545 55.538 56.048 0.059 0.000 1.225 94 H CB 0.773 30.542 29.762 0.011 0.000 1.457 94 H HN 0.924 nan 8.280 nan 0.000 0.505 95 H N 0.152 119.287 119.070 0.108 0.000 2.539 95 H HA 0.303 4.860 4.556 0.001 0.000 0.332 95 H C -0.648 174.727 175.328 0.080 0.000 1.031 95 H CA -1.170 54.928 56.048 0.083 0.000 1.206 95 H CB 0.913 30.713 29.762 0.062 0.000 1.446 95 H HN 0.616 nan 8.280 nan 0.000 0.496 96 E N 2.846 123.069 120.200 0.039 0.000 2.166 96 E HA 0.153 4.503 4.350 0.001 0.000 0.279 96 E C -0.483 176.136 176.600 0.032 0.000 1.095 96 E CA -0.613 55.774 56.400 -0.021 0.000 0.888 96 E CB 0.511 30.207 29.700 -0.006 0.000 1.041 96 E HN 0.638 nan 8.360 nan 0.000 0.414 97 c N 4.082 122.687 118.600 0.008 0.000 2.435 97 c HA 0.396 4.967 4.570 0.001 0.000 0.326 97 c C 1.414 175.534 174.090 0.051 0.000 1.328 97 c CA 0.229 56.616 56.329 0.097 0.000 1.741 97 c CB -1.478 41.163 42.510 0.218 0.000 1.998 97 c HN 1.107 nan 8.230 nan 0.000 0.585 98 G N 2.806 111.607 108.800 0.001 0.000 3.127 98 G HA2 -0.339 3.622 3.960 0.001 0.000 0.280 98 G HA3 -0.339 3.622 3.960 0.001 0.000 0.280 98 G C 1.233 176.116 174.900 -0.029 0.000 1.491 98 G CA 0.454 45.545 45.100 -0.015 0.000 1.029 98 G HN 0.453 nan 8.290 nan 0.000 0.582 99 R N 1.804 122.304 120.500 -0.000 0.000 2.119 99 R HA -0.103 4.237 4.340 0.001 0.000 0.246 99 R C 0.651 176.923 176.300 -0.046 0.000 1.146 99 R CA 2.186 58.286 56.100 0.000 0.000 0.962 99 R CB -0.724 29.602 30.300 0.044 0.000 0.863 99 R HN 1.144 nan 8.270 nan 0.000 0.442 100 N N 0.277 118.912 118.700 -0.109 0.000 2.452 100 N HA 0.184 4.925 4.740 0.001 0.000 0.277 100 N C -0.648 174.535 175.510 -0.544 0.000 1.078 100 N CA -0.979 51.914 53.050 -0.261 0.000 0.947 100 N CB 1.034 39.378 38.487 -0.238 0.000 1.655 100 N HN 0.269 nan 8.380 nan 0.000 0.490 101 M N -0.252 119.053 119.600 -0.491 0.000 2.159 101 M HA 0.637 5.117 4.480 0.001 0.000 0.293 101 M C -0.957 174.833 176.300 -0.850 0.000 1.186 101 M CA -0.037 54.931 55.300 -0.554 0.000 1.073 101 M CB 0.649 33.109 32.600 -0.234 0.000 1.419 101 M HN 0.522 nan 8.290 nan 0.000 0.490 102 Y N -0.805 119.275 120.300 -0.368 0.000 2.974 102 Y HA 0.755 5.305 4.550 0.001 0.000 0.310 102 Y C -1.095 174.676 175.900 -0.214 0.000 1.526 102 Y CA -1.097 56.869 58.100 -0.222 0.000 1.087 102 Y CB 1.398 39.788 38.460 -0.116 0.000 1.404 102 Y HN 0.538 nan 8.280 nan 0.000 0.491 103 L N 0.131 121.405 121.223 0.086 0.000 2.409 103 L HA 0.483 4.824 4.340 0.001 0.000 0.272 103 L C 0.235 177.116 176.870 0.018 0.000 0.980 103 L CA -0.230 54.587 54.840 -0.038 0.000 0.826 103 L CB 2.147 44.137 42.059 -0.114 0.000 1.268 103 L HN 0.830 nan 8.230 nan 0.000 0.407 104 T N 0.820 115.385 114.554 0.018 0.000 3.085 104 T HA 0.467 4.818 4.350 0.001 0.000 0.241 104 T C 0.596 175.242 174.700 -0.090 0.000 0.988 104 T CA 0.587 62.655 62.100 -0.054 0.000 1.117 104 T CB 0.239 69.046 68.868 -0.101 0.000 0.978 104 T HN 1.010 nan 8.240 nan 0.000 0.454 105 G N 1.132 109.891 108.800 -0.069 0.000 2.785 105 G HA2 0.173 4.134 3.960 0.001 0.000 0.686 105 G HA3 0.173 4.134 3.960 0.001 0.000 0.686 105 G C -1.283 173.537 174.900 -0.134 0.000 1.155 105 G CA -0.300 44.755 45.100 -0.075 0.000 0.760 105 G HN 0.981 nan 8.290 nan 0.000 0.624 106 L N 2.312 123.438 121.223 -0.161 0.000 2.516 106 L HA 0.797 5.137 4.340 0.001 0.000 0.267 106 L C -0.085 176.498 176.870 -0.478 0.000 0.957 106 L CA -0.670 53.985 54.840 -0.309 0.000 0.860 106 L CB 1.631 43.516 42.059 -0.289 0.000 1.265 106 L HN 0.990 nan 8.230 nan 0.000 0.403 107 c N 3.432 121.688 118.600 -0.574 0.000 2.486 107 c HA 0.764 5.334 4.570 0.001 0.000 0.348 107 c C -0.805 172.794 174.090 -0.819 0.000 1.203 107 c CA -0.550 55.451 56.329 -0.546 0.000 1.911 107 c CB 1.484 43.829 42.510 -0.275 0.000 2.340 107 c HN 0.696 nan 8.230 nan 0.000 0.511 108 F N 1.413 121.307 119.950 -0.093 0.000 2.539 108 F HA 0.576 5.104 4.527 0.001 0.000 0.318 108 F C -0.211 175.551 175.800 -0.064 0.000 1.135 108 F CA -0.587 57.363 58.000 -0.084 0.000 0.915 108 F CB 0.705 39.657 39.000 -0.079 0.000 1.176 108 F HN 0.131 nan 8.300 nan 0.000 0.440 109 L N 4.831 126.107 121.223 0.089 0.000 2.264 109 L HA 0.509 4.850 4.340 0.001 0.000 0.289 109 L C -0.634 176.288 176.870 0.088 0.000 1.044 109 L CA -0.548 54.344 54.840 0.087 0.000 0.807 109 L CB 1.060 43.148 42.059 0.048 0.000 1.192 109 L HN 0.548 nan 8.230 nan 0.000 0.425 110 L N 2.462 123.739 121.223 0.090 0.000 2.558 110 L HA 0.965 5.305 4.340 0.001 0.000 0.260 110 L C 0.580 177.515 176.870 0.108 0.000 1.130 110 L CA -0.356 54.514 54.840 0.050 0.000 1.049 110 L CB 1.189 43.223 42.059 -0.042 0.000 1.758 110 L HN 0.674 nan 8.230 nan 0.000 0.555 111 G N -1.438 107.430 108.800 0.114 0.000 2.347 111 G HA2 0.103 4.064 3.960 0.001 0.000 0.341 111 G HA3 0.103 4.064 3.960 0.001 0.000 0.341 111 G C -2.742 172.208 174.900 0.084 0.000 1.287 111 G CA -0.756 44.443 45.100 0.166 0.000 0.984 111 G HN 0.344 nan 8.290 nan 0.000 0.526 112 P HA 0.227 nan 4.420 nan 0.000 0.246 112 P C 0.596 177.910 177.300 0.023 0.000 1.686 112 P CA 1.242 64.360 63.100 0.030 0.000 0.867 112 P CB -0.194 31.517 31.700 0.018 0.000 1.733 113 T N -4.320 110.250 114.554 0.026 0.000 2.574 113 T HA 0.318 4.669 4.350 0.001 0.000 0.224 113 T C -0.541 174.169 174.700 0.017 0.000 0.792 113 T CA -0.647 61.466 62.100 0.022 0.000 1.317 113 T CB 0.707 69.593 68.868 0.029 0.000 1.590 113 T HN -0.097 nan 8.240 nan 0.000 0.456 114 Q N 0.690 120.501 119.800 0.018 0.000 2.243 114 Q HA 0.547 4.888 4.340 0.001 0.000 0.252 114 Q C -0.713 175.296 176.000 0.016 0.000 0.909 114 Q CA -0.506 55.305 55.803 0.012 0.000 0.922 114 Q CB 1.624 30.367 28.738 0.010 0.000 1.215 114 Q HN 0.413 nan 8.270 nan 0.000 0.427 115 L N 3.344 124.572 121.223 0.010 0.000 2.415 115 L HA 0.094 4.434 4.340 0.001 0.000 0.269 115 L C -0.038 176.848 176.870 0.027 0.000 1.244 115 L CA -0.102 54.748 54.840 0.017 0.000 1.113 115 L CB -0.551 41.508 42.059 0.001 0.000 1.352 115 L HN 0.645 nan 8.230 nan 0.000 0.433 116 T N 1.676 116.244 114.554 0.024 0.000 2.868 116 T HA 0.232 4.582 4.350 0.001 0.000 0.292 116 T C 0.055 174.758 174.700 0.005 0.000 1.028 116 T CA -0.327 61.774 62.100 0.001 0.000 1.059 116 T CB 0.987 69.842 68.868 -0.021 0.000 0.991 116 T HN 0.447 nan 8.240 nan 0.000 0.531 117 Q N 1.188 120.958 119.800 -0.050 0.000 2.303 117 Q HA 0.377 4.718 4.340 0.001 0.000 0.267 117 Q C -0.681 175.183 176.000 -0.227 0.000 1.011 117 Q CA -0.473 55.252 55.803 -0.130 0.000 0.740 117 Q CB 1.945 30.635 28.738 -0.080 0.000 1.250 117 Q HN 0.318 nan 8.270 nan 0.000 0.458 118 R N 2.794 123.100 120.500 -0.323 0.000 2.415 118 R HA 0.192 4.533 4.340 0.001 0.000 0.292 118 R C 0.010 176.014 176.300 -0.494 0.000 1.295 118 R CA -0.206 55.643 56.100 -0.418 0.000 1.137 118 R CB 1.136 31.123 30.300 -0.522 0.000 1.135 118 R HN 0.548 nan 8.270 nan 0.000 0.560 119 L N 3.399 124.406 121.223 -0.359 0.000 2.463 119 L HA 0.259 4.599 4.340 0.001 0.000 0.219 119 L C -1.742 175.064 176.870 -0.106 0.000 1.088 119 L CA 0.649 55.337 54.840 -0.253 0.000 0.849 119 L CB 0.233 42.156 42.059 -0.227 0.000 1.012 119 L HN 0.286 nan 8.230 nan 0.000 0.468 120 P HA 0.243 nan 4.420 nan 0.000 0.247 120 P C 0.277 177.488 177.300 -0.149 0.000 1.683 120 P CA -0.028 62.956 63.100 -0.194 0.000 1.143 120 P CB 1.281 32.885 31.700 -0.160 0.000 1.577 121 V N 1.410 121.220 119.914 -0.175 0.000 2.471 121 V HA -0.278 3.843 4.120 0.001 0.000 0.132 121 V C 0.994 177.023 176.094 -0.107 0.000 0.451 121 V CA 2.004 64.219 62.300 -0.142 0.000 1.274 121 V CB -2.707 29.044 31.823 -0.120 0.000 1.494 121 V HN 0.789 nan 8.190 nan 0.000 1.012 122 S N 2.033 117.666 115.700 -0.111 0.000 3.065 122 S HA 0.327 4.797 4.470 0.001 0.000 0.311 122 S C 0.644 175.171 174.600 -0.121 0.000 1.204 122 S CA -0.268 57.873 58.200 -0.099 0.000 1.040 122 S CB -0.001 63.143 63.200 -0.093 0.000 1.436 122 S HN 0.841 nan 8.310 nan 0.000 0.532 123 R N 2.595 123.031 120.500 -0.107 0.000 2.614 123 R HA -0.073 4.268 4.340 0.001 0.000 0.335 123 R C -0.495 175.707 176.300 -0.165 0.000 0.859 123 R CA 0.206 56.233 56.100 -0.122 0.000 1.123 123 R CB -0.311 29.942 30.300 -0.078 0.000 0.887 123 R HN 0.611 nan 8.270 nan 0.000 0.407 124 Q N 3.294 122.949 119.800 -0.242 0.000 2.371 124 Q HA -0.047 4.294 4.340 0.001 0.000 0.254 124 Q C -0.348 175.440 176.000 -0.353 0.000 1.264 124 Q CA 0.644 56.267 55.803 -0.301 0.000 0.904 124 Q CB 0.300 28.818 28.738 -0.366 0.000 1.507 124 Q HN 0.580 nan 8.270 nan 0.000 0.495 125 E N 0.846 120.933 120.200 -0.188 0.000 2.422 125 E HA -0.023 4.327 4.350 0.001 0.000 0.260 125 E C -0.008 176.561 176.600 -0.053 0.000 1.108 125 E CA -0.420 55.921 56.400 -0.098 0.000 0.943 125 E CB 0.620 30.293 29.700 -0.045 0.000 0.961 125 E HN 0.554 nan 8.360 nan 0.000 0.443 126 c N 2.138 120.784 118.600 0.077 0.000 2.705 126 c HA 0.192 4.763 4.570 0.001 0.000 0.348 126 c C -1.910 172.225 174.090 0.075 0.000 1.386 126 c CA -1.123 55.307 56.329 0.169 0.000 2.361 126 c CB -1.037 41.603 42.510 0.216 0.000 2.486 126 c HN 0.584 nan 8.230 nan 0.000 0.728 127 P HA 0.322 nan 4.420 nan 0.000 0.292 127 P C -0.685 176.647 177.300 0.053 0.000 1.326 127 P CA -0.003 63.112 63.100 0.025 0.000 0.787 127 P CB 0.367 32.058 31.700 -0.014 0.000 0.903 128 R N 2.022 122.546 120.500 0.039 0.000 2.854 128 R HA 0.546 4.886 4.340 0.001 0.000 0.271 128 R C -0.854 175.477 176.300 0.051 0.000 0.996 128 R CA -0.958 55.176 56.100 0.056 0.000 0.961 128 R CB 0.908 31.239 30.300 0.050 0.000 1.182 128 R HN 0.123 nan 8.270 nan 0.000 0.479 129 Q N 1.946 121.789 119.800 0.072 0.000 2.361 129 Q HA 0.224 4.564 4.340 0.001 0.000 0.250 129 Q C -1.057 174.981 176.000 0.063 0.000 1.023 129 Q CA 0.297 56.145 55.803 0.075 0.000 0.915 129 Q CB 1.027 29.837 28.738 0.120 0.000 1.238 129 Q HN 0.515 nan 8.270 nan 0.000 0.451 130 E N 2.724 122.943 120.200 0.031 0.000 2.175 130 E HA 0.355 4.705 4.350 0.001 0.000 0.278 130 E C -0.657 175.932 176.600 -0.018 0.000 0.969 130 E CA -0.496 55.909 56.400 0.009 0.000 0.796 130 E CB 1.457 31.150 29.700 -0.012 0.000 1.104 130 E HN 0.418 nan 8.360 nan 0.000 0.395 131 Q N 1.720 121.493 119.800 -0.044 0.000 2.356 131 Q HA 0.304 4.644 4.340 0.001 0.000 0.270 131 Q C -1.167 174.729 176.000 -0.173 0.000 1.058 131 Q CA -0.737 55.006 55.803 -0.100 0.000 0.802 131 Q CB 1.974 30.644 28.738 -0.114 0.000 1.303 131 Q HN 0.353 nan 8.270 nan 0.000 0.444 132 D N 2.812 123.134 120.400 -0.129 0.000 2.683 132 D HA 0.282 4.922 4.640 0.001 0.000 0.309 132 D C -0.443 175.897 176.300 0.068 0.000 1.238 132 D CA -0.105 53.830 54.000 -0.108 0.000 0.936 132 D CB 0.426 41.061 40.800 -0.276 0.000 1.001 132 D HN 0.434 nan 8.370 nan 0.000 0.505 133 I N 0.762 121.173 120.570 -0.266 0.000 2.533 133 I HA 0.032 4.202 4.170 0.001 0.000 0.284 133 I C 0.297 176.278 176.117 -0.227 0.000 1.109 133 I CA -0.129 60.968 61.300 -0.339 0.000 1.412 133 I CB 0.907 38.433 38.000 -0.791 0.000 1.396 133 I HN -0.187 nan 8.210 nan 0.000 0.543 134 V N 7.696 127.522 119.914 -0.147 0.000 2.357 134 V HA 0.300 4.421 4.120 0.001 0.000 0.284 134 V C -0.149 175.870 176.094 -0.125 0.000 1.018 134 V CA -0.538 61.643 62.300 -0.198 0.000 0.841 134 V CB 1.045 32.718 31.823 -0.250 0.000 0.991 134 V HN 0.368 nan 8.190 nan 0.000 0.437 135 F N 5.026 124.961 119.950 -0.024 0.000 2.427 135 F HA 0.500 5.028 4.527 0.001 0.000 0.352 135 F C 0.013 175.839 175.800 0.045 0.000 1.100 135 F CA -0.134 57.889 58.000 0.038 0.000 1.191 135 F CB 1.296 40.317 39.000 0.034 0.000 1.128 135 F HN 0.318 nan 8.300 nan 0.000 0.533 136 L N 6.817 128.229 121.223 0.316 0.000 2.376 136 L HA 0.592 4.933 4.340 0.001 0.000 0.275 136 L C -0.815 176.294 176.870 0.398 0.000 0.987 136 L CA -0.713 54.315 54.840 0.313 0.000 0.828 136 L CB 1.198 43.400 42.059 0.237 0.000 1.249 136 L HN 0.461 nan 8.230 nan 0.000 0.409 137 I N 0.873 121.674 120.570 0.384 0.000 2.447 137 I HA 0.503 4.673 4.170 0.001 0.000 0.287 137 I C -0.674 175.499 176.117 0.093 0.000 1.023 137 I CA -0.852 60.589 61.300 0.236 0.000 1.083 137 I CB 1.697 39.741 38.000 0.074 0.000 1.245 137 I HN 0.498 nan 8.210 nan 0.000 0.434 138 D N 4.795 125.167 120.400 -0.047 0.000 2.450 138 D HA 0.296 4.936 4.640 0.001 0.000 0.247 138 D C 0.949 177.127 176.300 -0.204 0.000 1.162 138 D CA 0.413 54.121 54.000 -0.487 0.000 0.879 138 D CB 1.427 42.098 40.800 -0.216 0.000 1.163 138 D HN 0.846 nan 8.370 nan 0.000 0.472 139 G N 2.207 110.881 108.800 -0.210 0.000 3.735 139 G HA2 0.139 4.100 3.960 0.001 0.000 0.283 139 G HA3 0.139 4.100 3.960 0.001 0.000 0.283 139 G C 0.407 175.319 174.900 0.020 0.000 1.007 139 G CA 0.121 45.270 45.100 0.082 0.000 0.821 139 G HN 0.576 nan 8.290 nan 0.000 0.505 140 S N -0.779 114.886 115.700 -0.058 0.000 2.580 140 S HA 0.320 4.791 4.470 0.001 0.000 0.261 140 S C 1.700 176.288 174.600 -0.019 0.000 1.366 140 S CA 0.452 58.631 58.200 -0.035 0.000 0.996 140 S CB 1.221 64.410 63.200 -0.019 0.000 0.902 140 S HN 0.344 nan 8.310 nan 0.000 0.566 141 G N -0.003 108.764 108.800 -0.054 0.000 2.744 141 G HA2 -0.016 3.945 3.960 0.001 0.000 0.211 141 G HA3 -0.016 3.945 3.960 0.001 0.000 0.211 141 G C 1.452 176.332 174.900 -0.034 0.000 1.143 141 G CA 0.451 45.513 45.100 -0.064 0.000 0.788 141 G HN 0.976 nan 8.290 nan 0.000 0.534 142 S N -0.013 115.684 115.700 -0.006 0.000 2.428 142 S HA 0.151 4.621 4.470 0.001 0.000 0.230 142 S C 1.086 175.706 174.600 0.034 0.000 1.014 142 S CA -0.196 58.017 58.200 0.022 0.000 0.957 142 S CB -0.154 63.078 63.200 0.053 0.000 0.784 142 S HN 0.218 nan 8.310 nan 0.000 0.499 143 I N 3.668 124.257 120.570 0.030 0.000 2.496 143 I HA 0.129 4.299 4.170 0.001 0.000 0.285 143 I C 0.794 176.888 176.117 -0.038 0.000 1.080 143 I CA -0.440 60.851 61.300 -0.015 0.000 1.404 143 I CB 0.964 38.971 38.000 0.012 0.000 1.403 143 I HN 0.345 nan 8.210 nan 0.000 0.539 144 S N 3.630 119.273 115.700 -0.095 0.000 2.614 144 S HA 0.152 4.622 4.470 0.001 0.000 0.265 144 S C 1.008 175.574 174.600 -0.057 0.000 1.303 144 S CA -0.745 57.411 58.200 -0.073 0.000 1.000 144 S CB 1.443 64.600 63.200 -0.072 0.000 0.935 144 S HN 0.617 nan 8.310 nan 0.000 0.551 145 S N 0.301 115.968 115.700 -0.056 0.000 2.474 145 S HA -0.039 4.431 4.470 0.001 0.000 0.235 145 S C 1.808 176.402 174.600 -0.011 0.000 0.997 145 S CA 0.785 58.955 58.200 -0.051 0.000 0.949 145 S CB -0.408 62.745 63.200 -0.078 0.000 0.766 145 S HN 0.765 nan 8.310 nan 0.000 0.517 146 R N 1.643 122.121 120.500 -0.037 0.000 2.100 146 R HA 0.104 4.444 4.340 0.001 0.000 0.220 146 R C 0.876 177.132 176.300 -0.073 0.000 1.091 146 R CA 0.839 56.917 56.100 -0.035 0.000 0.986 146 R CB -0.091 30.189 30.300 -0.034 0.000 0.888 146 R HN 0.227 nan 8.270 nan 0.000 0.444 147 N N 0.064 118.653 118.700 -0.186 0.000 2.521 147 N HA -0.097 4.644 4.740 0.001 0.000 0.188 147 N C 0.748 176.053 175.510 -0.340 0.000 1.146 147 N CA 0.543 53.327 53.050 -0.443 0.000 0.893 147 N CB 0.024 37.877 38.487 -1.056 0.000 0.975 147 N HN 0.215 nan 8.380 nan 0.000 0.451 148 F N 1.145 120.946 119.950 -0.248 0.000 2.343 148 F HA 0.272 4.800 4.527 0.001 0.000 0.286 148 F C 2.101 177.839 175.800 -0.102 0.000 1.057 148 F CA 0.295 58.197 58.000 -0.164 0.000 1.365 148 F CB -0.147 38.777 39.000 -0.127 0.000 1.114 148 F HN -0.015 nan 8.300 nan 0.000 0.545 149 A N -0.822 122.107 122.820 0.180 0.000 2.119 149 A HA -0.051 4.270 4.320 0.001 0.000 0.217 149 A C 1.970 179.561 177.584 0.012 0.000 1.153 149 A CA 1.861 53.953 52.037 0.093 0.000 0.692 149 A CB -1.201 17.841 19.000 0.070 0.000 0.799 149 A HN 0.402 nan 8.150 nan 0.000 0.458 150 T N -0.760 113.788 114.554 -0.009 0.000 2.896 150 T HA -0.029 4.322 4.350 0.001 0.000 0.263 150 T C 1.890 176.602 174.700 0.019 0.000 1.050 150 T CA 1.412 63.516 62.100 0.008 0.000 1.140 150 T CB -0.146 68.732 68.868 0.017 0.000 0.877 150 T HN 0.492 nan 8.240 nan 0.000 0.457 151 M N 0.137 119.707 119.600 -0.050 0.000 2.357 151 M HA 0.128 4.608 4.480 0.001 0.000 0.266 151 M C 1.479 177.742 176.300 -0.060 0.000 1.095 151 M CA 0.958 56.241 55.300 -0.028 0.000 1.156 151 M CB 0.051 32.581 32.600 -0.115 0.000 1.365 151 M HN 0.086 nan 8.290 nan 0.000 0.447 152 M N 0.144 119.635 119.600 -0.182 0.000 2.562 152 M HA -0.032 4.449 4.480 0.001 0.000 0.257 152 M C 0.891 177.116 176.300 -0.126 0.000 1.099 152 M CA 0.941 56.128 55.300 -0.188 0.000 1.099 152 M CB -1.395 31.097 32.600 -0.180 0.000 1.427 152 M HN 0.232 nan 8.290 nan 0.000 0.489 153 N N -0.320 118.347 118.700 -0.056 0.000 2.424 153 N HA -0.011 4.730 4.740 0.001 0.000 0.178 153 N C 1.277 176.784 175.510 -0.005 0.000 1.060 153 N CA 0.470 53.498 53.050 -0.036 0.000 0.901 153 N CB -0.159 38.325 38.487 -0.004 0.000 0.979 153 N HN 0.343 nan 8.380 nan 0.000 0.451 154 F N 0.334 120.208 119.950 -0.126 0.000 2.473 154 F HA 0.113 4.640 4.527 0.001 0.000 0.294 154 F C 1.688 177.365 175.800 -0.206 0.000 1.103 154 F CA 0.391 58.325 58.000 -0.111 0.000 1.442 154 F CB -0.003 38.961 39.000 -0.061 0.000 1.097 154 F HN -0.239 nan 8.300 nan 0.000 0.547 155 V N 2.716 122.396 119.914 -0.390 0.000 2.244 155 V HA -0.311 3.809 4.120 0.001 0.000 0.244 155 V C 2.635 178.283 176.094 -0.743 0.000 1.042 155 V CA 2.436 64.188 62.300 -0.913 0.000 1.006 155 V CB -0.913 30.388 31.823 -0.870 0.000 0.641 155 V HN 0.436 nan 8.190 nan 0.000 0.446 156 R N 1.610 121.846 120.500 -0.440 0.000 2.139 156 R HA -0.156 4.185 4.340 0.001 0.000 0.243 156 R C 2.050 178.192 176.300 -0.264 0.000 1.145 156 R CA 1.852 57.767 56.100 -0.308 0.000 0.976 156 R CB -0.818 29.360 30.300 -0.203 0.000 0.866 156 R HN 0.423 nan 8.270 nan 0.000 0.449 157 A N 1.088 123.737 122.820 -0.284 0.000 1.968 157 A HA 0.052 4.373 4.320 0.001 0.000 0.217 157 A C 2.131 179.595 177.584 -0.201 0.000 1.169 157 A CA 1.030 52.941 52.037 -0.209 0.000 0.638 157 A CB 0.028 18.921 19.000 -0.179 0.000 0.812 157 A HN 0.185 nan 8.150 nan 0.000 0.446 158 V N -0.100 119.618 119.914 -0.326 0.000 3.623 158 V HA 0.047 4.168 4.120 0.001 0.000 0.271 158 V C 1.780 177.944 176.094 0.116 0.000 1.248 158 V CA 0.776 63.036 62.300 -0.068 0.000 1.156 158 V CB -0.415 31.363 31.823 -0.075 0.000 0.870 158 V HN 0.542 nan 8.190 nan 0.000 0.453 159 I N 0.322 120.795 120.570 -0.162 0.000 3.265 159 I HA -0.059 4.111 4.170 0.001 0.000 0.282 159 I C 2.473 178.624 176.117 0.057 0.000 1.207 159 I CA 1.157 62.199 61.300 -0.429 0.000 1.449 159 I CB 0.089 37.642 38.000 -0.745 0.000 1.121 159 I HN 0.444 nan 8.210 nan 0.000 0.442 160 S N 0.177 115.917 115.700 0.065 0.000 2.425 160 S HA -0.089 4.381 4.470 0.001 0.000 0.225 160 S C 1.813 176.522 174.600 0.182 0.000 1.024 160 S CA 0.288 58.554 58.200 0.110 0.000 0.951 160 S CB -0.198 63.018 63.200 0.026 0.000 0.796 160 S HN 0.330 nan 8.310 nan 0.000 0.498 161 Q N 0.313 120.235 119.800 0.204 0.000 2.364 161 Q HA 0.146 4.487 4.340 0.001 0.000 0.209 161 Q C -0.452 175.631 176.000 0.138 0.000 0.977 161 Q CA 0.652 56.540 55.803 0.141 0.000 0.885 161 Q CB -0.340 28.452 28.738 0.089 0.000 0.941 161 Q HN 0.609 nan 8.270 nan 0.000 0.464 162 F N 0.585 120.700 119.950 0.275 0.000 2.425 162 F HA 0.314 4.841 4.527 0.001 0.000 0.331 162 F C 0.319 176.302 175.800 0.305 0.000 1.085 162 F CA -0.786 57.416 58.000 0.338 0.000 1.028 162 F CB 1.253 40.471 39.000 0.363 0.000 1.177 162 F HN -0.229 nan 8.300 nan 0.000 0.487 163 Q N 2.380 122.437 119.800 0.429 0.000 2.330 163 Q HA 0.471 4.811 4.340 0.001 0.000 0.269 163 Q C -0.634 175.542 176.000 0.294 0.000 1.022 163 Q CA -1.115 54.870 55.803 0.304 0.000 0.796 163 Q CB 2.847 31.704 28.738 0.197 0.000 1.271 163 Q HN 0.636 nan 8.270 nan 0.000 0.450 164 R N 1.699 122.371 120.500 0.287 0.000 2.607 164 R HA 0.535 4.875 4.340 0.001 0.000 0.261 164 R C -1.775 174.633 176.300 0.179 0.000 1.051 164 R CA -1.462 54.794 56.100 0.261 0.000 1.110 164 R CB 0.218 30.735 30.300 0.362 0.000 1.158 164 R HN 0.341 nan 8.270 nan 0.000 0.543 165 P HA 0.035 nan 4.420 nan 0.000 0.255 165 P C 0.146 177.523 177.300 0.128 0.000 1.301 165 P CA 0.086 63.279 63.100 0.156 0.000 0.817 165 P CB 0.301 32.073 31.700 0.121 0.000 1.259 166 S N -1.871 113.910 115.700 0.135 0.000 2.631 166 S HA 0.149 4.620 4.470 0.001 0.000 0.217 166 S C 0.481 175.156 174.600 0.126 0.000 0.958 166 S CA -0.038 58.234 58.200 0.120 0.000 0.920 166 S CB -0.523 62.754 63.200 0.128 0.000 0.776 166 S HN 0.062 nan 8.310 nan 0.000 0.517 167 T N 1.663 116.295 114.554 0.131 0.000 2.923 167 T HA 0.545 4.896 4.350 0.001 0.000 0.311 167 T C -1.507 173.166 174.700 -0.046 0.000 1.183 167 T CA -0.756 61.358 62.100 0.025 0.000 1.020 167 T CB 2.059 71.015 68.868 0.145 0.000 1.165 167 T HN 0.047 nan 8.240 nan 0.000 0.482 168 Q N 0.937 120.550 119.800 -0.311 0.000 2.456 168 Q HA 0.729 5.069 4.340 0.001 0.000 0.283 168 Q C -1.555 174.013 176.000 -0.720 0.000 1.084 168 Q CA -0.627 54.998 55.803 -0.297 0.000 0.801 168 Q CB 2.684 31.448 28.738 0.044 0.000 1.434 168 Q HN 0.632 nan 8.270 nan 0.000 0.419 169 F N -0.333 119.142 119.950 -0.792 0.000 2.629 169 F HA 0.636 5.163 4.527 0.001 0.000 0.316 169 F C -0.092 175.151 175.800 -0.928 0.000 1.081 169 F CA -0.700 56.863 58.000 -0.729 0.000 0.954 169 F CB 2.449 41.041 39.000 -0.680 0.000 1.337 169 F HN 0.336 nan 8.300 nan 0.000 0.474 170 S N 2.082 117.348 115.700 -0.722 0.000 2.626 170 S HA 0.584 5.054 4.470 0.001 0.000 0.275 170 S C -2.096 172.055 174.600 -0.748 0.000 1.175 170 S CA -0.417 57.162 58.200 -1.034 0.000 0.982 170 S CB 0.883 62.981 63.200 -1.837 0.000 1.093 170 S HN 0.601 nan 8.310 nan 0.000 0.472 171 L N 5.650 126.206 121.223 -1.111 0.000 2.322 171 L HA 0.861 5.201 4.340 0.001 0.000 0.279 171 L C -0.555 176.104 176.870 -0.352 0.000 1.036 171 L CA -0.201 54.275 54.840 -0.606 0.000 0.807 171 L CB 1.555 43.253 42.059 -0.602 0.000 1.226 171 L HN 0.877 nan 8.230 nan 0.000 0.433 172 M N 4.306 123.867 119.600 -0.066 0.000 2.433 172 M HA 0.422 4.903 4.480 0.001 0.000 0.290 172 M C -1.865 174.552 176.300 0.196 0.000 1.173 172 M CA -0.457 54.842 55.300 -0.003 0.000 0.905 172 M CB 1.932 34.532 32.600 0.001 0.000 1.692 172 M HN 0.747 nan 8.290 nan 0.000 0.462 173 Q N 4.157 124.075 119.800 0.196 0.000 2.337 173 Q HA 0.628 4.969 4.340 0.001 0.000 0.266 173 Q C -2.095 174.092 176.000 0.313 0.000 1.023 173 Q CA -0.728 55.270 55.803 0.325 0.000 0.829 173 Q CB 1.901 30.937 28.738 0.496 0.000 1.306 173 Q HN 0.662 nan 8.270 nan 0.000 0.449 174 F N 2.292 122.349 119.950 0.177 0.000 2.553 174 F HA 0.586 5.114 4.527 0.001 0.000 0.335 174 F C -0.445 175.412 175.800 0.094 0.000 1.148 174 F CA -0.447 57.634 58.000 0.135 0.000 0.963 174 F CB 1.231 40.429 39.000 0.330 0.000 1.217 174 F HN 0.527 nan 8.300 nan 0.000 0.441 175 S N 2.171 117.820 115.700 -0.085 0.000 3.152 175 S HA 0.191 4.662 4.470 0.001 0.000 0.173 175 S C 0.893 175.563 174.600 0.116 0.000 0.751 175 S CA 0.435 58.614 58.200 -0.035 0.000 0.933 175 S CB -0.423 62.759 63.200 -0.030 0.000 0.877 175 S HN 0.645 nan 8.310 nan 0.000 0.766 176 N N 1.433 120.164 118.700 0.051 0.000 2.356 176 N HA 0.242 4.983 4.740 0.001 0.000 0.178 176 N C 0.214 175.426 175.510 -0.496 0.000 1.075 176 N CA 0.295 53.341 53.050 -0.007 0.000 0.889 176 N CB -0.041 38.664 38.487 0.365 0.000 0.999 176 N HN 0.197 nan 8.380 nan 0.000 0.464 177 K N -0.255 119.834 120.400 -0.518 0.000 2.246 177 K HA 0.454 4.774 4.320 0.001 0.000 0.239 177 K C -1.122 174.919 176.600 -0.930 0.000 1.089 177 K CA -0.603 55.289 56.287 -0.659 0.000 0.892 177 K CB 0.576 32.946 32.500 -0.218 0.000 1.334 177 K HN 0.010 nan 8.250 nan 0.000 0.507 178 F N 0.938 120.903 119.950 0.026 0.000 2.828 178 F HA 0.296 4.824 4.527 0.001 0.000 0.355 178 F C 0.007 175.793 175.800 -0.023 0.000 1.200 178 F CA -0.621 57.401 58.000 0.036 0.000 1.062 178 F CB 1.766 40.784 39.000 0.029 0.000 1.351 178 F HN 0.196 nan 8.300 nan 0.000 0.504 179 Q N 1.964 121.784 119.800 0.034 0.000 2.325 179 Q HA 0.413 4.753 4.340 0.001 0.000 0.262 179 Q C -0.753 175.041 176.000 -0.344 0.000 0.968 179 Q CA -0.430 55.286 55.803 -0.145 0.000 0.877 179 Q CB 1.566 30.179 28.738 -0.208 0.000 1.253 179 Q HN 0.581 nan 8.270 nan 0.000 0.448 180 T N 5.214 119.635 114.554 -0.221 0.000 2.863 180 T HA 0.127 4.478 4.350 0.001 0.000 0.299 180 T C 0.696 175.251 174.700 -0.242 0.000 0.973 180 T CA -0.368 61.579 62.100 -0.255 0.000 0.994 180 T CB 0.071 68.830 68.868 -0.181 0.000 0.961 180 T HN 0.550 nan 8.240 nan 0.000 0.552 181 H N 2.718 121.748 119.070 -0.066 0.000 2.353 181 H HA 0.045 4.602 4.556 0.001 0.000 0.300 181 H C 0.591 176.016 175.328 0.162 0.000 1.090 181 H CA 1.107 57.190 56.048 0.057 0.000 1.327 181 H CB 0.087 29.930 29.762 0.135 0.000 1.383 181 H HN 0.651 nan 8.280 nan 0.000 0.508 182 F N -1.016 118.962 119.950 0.046 0.000 2.662 182 F HA 0.540 5.068 4.527 0.001 0.000 0.312 182 F C 0.042 175.759 175.800 -0.139 0.000 1.113 182 F CA -1.257 56.726 58.000 -0.029 0.000 0.951 182 F CB 1.152 40.169 39.000 0.027 0.000 1.344 182 F HN -0.109 nan 8.300 nan 0.000 0.462 183 T N -2.480 112.064 114.554 -0.018 0.000 2.844 183 T HA 0.467 4.818 4.350 0.001 0.000 0.274 183 T C 0.173 174.856 174.700 -0.029 0.000 0.991 183 T CA -0.396 61.577 62.100 -0.211 0.000 0.983 183 T CB 0.854 69.526 68.868 -0.327 0.000 1.310 183 T HN 0.496 nan 8.240 nan 0.000 0.596 184 F N 0.326 120.296 119.950 0.033 0.000 2.407 184 F HA 0.176 4.703 4.527 0.001 0.000 0.299 184 F C 2.553 178.453 175.800 0.167 0.000 1.097 184 F CA 0.855 58.906 58.000 0.083 0.000 1.422 184 F CB -0.331 38.675 39.000 0.010 0.000 1.067 184 F HN 0.634 nan 8.300 nan 0.000 0.539 185 E N 0.876 121.258 120.200 0.304 0.000 2.112 185 E HA -0.116 4.234 4.350 0.001 0.000 0.190 185 E C 1.239 177.964 176.600 0.208 0.000 0.979 185 E CA 1.050 57.591 56.400 0.234 0.000 0.814 185 E CB -0.239 29.574 29.700 0.189 0.000 0.762 185 E HN 0.388 nan 8.360 nan 0.000 0.460 186 E N -1.067 119.256 120.200 0.205 0.000 2.416 186 E HA 0.024 4.375 4.350 0.001 0.000 0.189 186 E C 0.441 177.163 176.600 0.203 0.000 1.091 186 E CA -0.173 56.327 56.400 0.166 0.000 0.889 186 E CB 0.013 29.801 29.700 0.147 0.000 1.015 186 E HN 0.292 nan 8.360 nan 0.000 0.479 187 F N -0.022 120.003 119.950 0.126 0.000 2.537 187 F HA 0.199 4.726 4.527 0.001 0.000 0.277 187 F C 2.116 177.979 175.800 0.105 0.000 1.013 187 F CA 0.005 58.075 58.000 0.117 0.000 1.332 187 F CB 0.475 39.608 39.000 0.222 0.000 1.108 187 F HN -0.224 nan 8.300 nan 0.000 0.679 188 R N 1.063 121.799 120.500 0.394 0.000 2.235 188 R HA -0.060 4.280 4.340 0.001 0.000 0.213 188 R C 2.228 178.598 176.300 0.117 0.000 1.059 188 R CA 1.275 57.526 56.100 0.253 0.000 0.997 188 R CB -0.063 30.387 30.300 0.250 0.000 0.884 188 R HN 0.411 nan 8.270 nan 0.000 0.462 189 R N -1.137 119.421 120.500 0.097 0.000 2.087 189 R HA 0.123 4.463 4.340 0.001 0.000 0.216 189 R C 0.773 177.069 176.300 -0.005 0.000 1.114 189 R CA 0.540 56.669 56.100 0.049 0.000 1.002 189 R CB -0.367 29.971 30.300 0.062 0.000 0.903 189 R HN -0.109 nan 8.270 nan 0.000 0.445 190 S N 1.582 117.256 115.700 -0.043 0.000 2.466 190 S HA 0.041 4.512 4.470 0.001 0.000 0.286 190 S C 0.743 175.255 174.600 -0.146 0.000 1.221 190 S CA -0.252 57.885 58.200 -0.105 0.000 1.091 190 S CB 0.818 63.922 63.200 -0.160 0.000 0.956 190 S HN 0.500 nan 8.310 nan 0.000 0.501 191 S N 4.108 119.747 115.700 -0.103 0.000 2.500 191 S HA -0.017 4.454 4.470 0.001 0.000 0.239 191 S C 0.184 174.700 174.600 -0.140 0.000 0.989 191 S CA 0.410 58.551 58.200 -0.099 0.000 0.951 191 S CB -0.330 62.834 63.200 -0.061 0.000 0.759 191 S HN 0.736 nan 8.310 nan 0.000 0.523 192 N N 1.554 120.149 118.700 -0.176 0.000 2.617 192 N HA 0.316 5.057 4.740 0.001 0.000 0.263 192 N C -2.372 172.950 175.510 -0.313 0.000 1.074 192 N CA -1.807 51.114 53.050 -0.216 0.000 0.841 192 N CB 1.811 40.204 38.487 -0.157 0.000 1.221 192 N HN 0.068 nan 8.380 nan 0.000 0.529 193 P HA -0.064 nan 4.420 nan 0.000 0.210 193 P C 1.533 178.502 177.300 -0.551 0.000 1.192 193 P CA 0.682 63.375 63.100 -0.678 0.000 0.913 193 P CB 0.590 31.464 31.700 -1.377 0.000 0.774 194 L N 0.705 121.687 121.223 -0.401 0.000 2.198 194 L HA -0.265 4.076 4.340 0.001 0.000 0.218 194 L C 2.718 179.433 176.870 -0.259 0.000 1.084 194 L CA 2.276 56.942 54.840 -0.290 0.000 0.779 194 L CB -1.852 40.086 42.059 -0.202 0.000 0.890 194 L HN 0.165 nan 8.230 nan 0.000 0.439 195 S N 0.091 115.644 115.700 -0.246 0.000 2.465 195 S HA -0.134 4.337 4.470 0.001 0.000 0.241 195 S C 1.577 176.052 174.600 -0.207 0.000 1.000 195 S CA 1.077 59.162 58.200 -0.193 0.000 0.964 195 S CB -0.462 62.639 63.200 -0.166 0.000 0.763 195 S HN 0.567 nan 8.310 nan 0.000 0.512 196 L N -0.251 120.788 121.223 -0.307 0.000 2.640 196 L HA 0.404 4.744 4.340 0.001 0.000 0.230 196 L C 1.916 178.632 176.870 -0.256 0.000 1.123 196 L CA -0.038 54.623 54.840 -0.298 0.000 0.900 196 L CB -0.124 41.668 42.059 -0.444 0.000 1.146 196 L HN 0.253 nan 8.230 nan 0.000 0.484 197 L N 0.105 121.178 121.223 -0.250 0.000 2.221 197 L HA 0.130 4.471 4.340 0.001 0.000 0.202 197 L C 2.399 179.190 176.870 -0.131 0.000 1.074 197 L CA 0.759 55.516 54.840 -0.138 0.000 0.795 197 L CB -0.132 41.835 42.059 -0.154 0.000 0.960 197 L HN 0.250 nan 8.230 nan 0.000 0.458 198 A N -1.409 121.325 122.820 -0.144 0.000 2.278 198 A HA -0.033 4.288 4.320 0.001 0.000 0.212 198 A C 2.174 179.646 177.584 -0.185 0.000 1.213 198 A CA 0.940 52.895 52.037 -0.136 0.000 0.840 198 A CB -0.221 18.715 19.000 -0.106 0.000 0.866 198 A HN 0.326 nan 8.150 nan 0.000 0.489 199 S N -0.889 114.693 115.700 -0.196 0.000 2.486 199 S HA 0.117 4.587 4.470 0.001 0.000 0.220 199 S C 0.670 175.043 174.600 -0.378 0.000 1.011 199 S CA 0.201 58.268 58.200 -0.222 0.000 0.921 199 S CB -0.234 62.895 63.200 -0.118 0.000 0.785 199 S HN 0.162 nan 8.310 nan 0.000 0.517 200 V N 3.744 123.450 119.914 -0.346 0.000 2.775 200 V HA 0.335 4.455 4.120 0.001 0.000 0.299 200 V C -0.018 175.785 176.094 -0.485 0.000 1.062 200 V CA -0.305 61.749 62.300 -0.411 0.000 1.063 200 V CB 0.836 32.301 31.823 -0.596 0.000 0.994 200 V HN 0.511 nan 8.190 nan 0.000 0.483 201 H N 2.186 121.196 119.070 -0.099 0.000 2.731 201 H HA 0.370 4.927 4.556 0.001 0.000 0.368 201 H C -0.248 174.916 175.328 -0.273 0.000 1.168 201 H CA -0.685 55.260 56.048 -0.171 0.000 1.181 201 H CB 1.750 31.429 29.762 -0.139 0.000 1.743 201 H HN 0.680 nan 8.280 nan 0.000 0.547 202 Q N 0.832 120.273 119.800 -0.598 0.000 2.432 202 Q HA 0.046 4.386 4.340 0.001 0.000 0.264 202 Q C 0.309 176.175 176.000 -0.223 0.000 1.035 202 Q CA 0.027 55.348 55.803 -0.804 0.000 0.908 202 Q CB 0.586 28.617 28.738 -1.177 0.000 1.280 202 Q HN 0.597 nan 8.270 nan 0.000 0.455 203 L N 1.079 122.256 121.223 -0.078 0.000 2.575 203 L HA 0.070 4.411 4.340 0.001 0.000 0.228 203 L C 0.786 177.622 176.870 -0.056 0.000 1.075 203 L CA -0.290 54.536 54.840 -0.024 0.000 0.867 203 L CB -0.016 42.064 42.059 0.034 0.000 1.097 203 L HN 0.767 nan 8.230 nan 0.000 0.485 204 Q N -0.123 119.637 119.800 -0.066 0.000 1.202 204 Q HA -0.271 4.069 4.340 0.001 0.000 0.374 204 Q C 0.878 176.831 176.000 -0.077 0.000 1.006 204 Q CA 1.643 57.401 55.803 -0.077 0.000 0.589 204 Q CB -1.689 26.988 28.738 -0.103 0.000 4.807 204 Q HN 0.473 nan 8.270 nan 0.000 0.528 205 G N -0.425 108.292 108.800 -0.139 0.000 2.642 205 G HA2 -0.220 3.741 3.960 0.001 0.000 0.231 205 G HA3 -0.220 3.741 3.960 0.001 0.000 0.231 205 G C -0.165 174.616 174.900 -0.197 0.000 1.338 205 G CA 0.222 45.203 45.100 -0.200 0.000 0.883 205 G HN 0.398 nan 8.290 nan 0.000 0.570 206 F N 0.143 120.139 119.950 0.078 0.000 2.112 206 F HA 0.603 5.131 4.527 0.001 0.000 0.268 206 F C 1.533 177.399 175.800 0.111 0.000 1.100 206 F CA 0.739 58.804 58.000 0.109 0.000 1.170 206 F CB 0.405 39.546 39.000 0.234 0.000 1.714 206 F HN 0.442 nan 8.300 nan 0.000 0.525 207 T N -0.251 114.483 114.554 0.299 0.000 3.050 207 T HA 0.351 4.702 4.350 0.001 0.000 0.310 207 T C -1.610 173.182 174.700 0.152 0.000 0.978 207 T CA -0.461 61.778 62.100 0.232 0.000 1.013 207 T CB 0.135 69.085 68.868 0.138 0.000 1.000 207 T HN 0.275 nan 8.240 nan 0.000 0.447 208 Y N 1.881 122.420 120.300 0.399 0.000 2.863 208 Y HA 0.255 4.805 4.550 0.001 0.000 0.348 208 Y C 1.747 177.886 175.900 0.397 0.000 1.028 208 Y CA -0.939 57.376 58.100 0.360 0.000 1.213 208 Y CB 0.729 39.396 38.460 0.345 0.000 1.120 208 Y HN 0.571 nan 8.280 nan 0.000 0.598 209 T N 0.683 115.476 114.554 0.398 0.000 2.614 209 T HA -0.245 4.105 4.350 0.001 0.000 0.263 209 T C 2.132 176.730 174.700 -0.171 0.000 1.055 209 T CA 1.851 64.020 62.100 0.115 0.000 1.162 209 T CB -0.131 68.913 68.868 0.294 0.000 0.863 209 T HN 0.679 nan 8.240 nan 0.000 0.414 210 A N 0.896 123.585 122.820 -0.219 0.000 2.168 210 A HA -0.003 4.318 4.320 0.001 0.000 0.215 210 A C 2.360 179.812 177.584 -0.220 0.000 1.152 210 A CA 1.387 53.204 52.037 -0.366 0.000 0.716 210 A CB -0.814 17.699 19.000 -0.813 0.000 0.794 210 A HN 0.491 nan 8.150 nan 0.000 0.465 211 T N -0.347 114.154 114.554 -0.088 0.000 2.937 211 T HA 0.156 4.507 4.350 0.001 0.000 0.260 211 T C 2.224 176.710 174.700 -0.355 0.000 1.051 211 T CA 1.009 63.036 62.100 -0.121 0.000 1.141 211 T CB -0.179 68.785 68.868 0.159 0.000 0.879 211 T HN 0.528 nan 8.240 nan 0.000 0.459 212 A N 1.255 123.960 122.820 -0.192 0.000 1.969 212 A HA 0.083 4.403 4.320 0.001 0.000 0.218 212 A C 2.206 179.627 177.584 -0.272 0.000 1.169 212 A CA 0.848 52.731 52.037 -0.257 0.000 0.635 212 A CB -0.737 18.120 19.000 -0.239 0.000 0.810 212 A HN 0.505 nan 8.150 nan 0.000 0.445 213 I N -0.619 119.797 120.570 -0.257 0.000 2.286 213 I HA -0.306 3.865 4.170 0.001 0.000 0.248 213 I C 2.703 178.780 176.117 -0.066 0.000 1.115 213 I CA 1.440 62.665 61.300 -0.124 0.000 1.392 213 I CB -0.350 37.605 38.000 -0.076 0.000 1.065 213 I HN 0.442 nan 8.210 nan 0.000 0.418 214 Q N 0.276 119.991 119.800 -0.143 0.000 2.187 214 Q HA -0.090 4.251 4.340 0.001 0.000 0.199 214 Q C 1.614 177.524 176.000 -0.150 0.000 0.957 214 Q CA 0.840 56.553 55.803 -0.151 0.000 0.857 214 Q CB -0.024 28.507 28.738 -0.345 0.000 0.929 214 Q HN 0.485 nan 8.270 nan 0.000 0.453 215 N N -0.134 118.410 118.700 -0.260 0.000 2.550 215 N HA -0.060 4.681 4.740 0.001 0.000 0.186 215 N C 1.385 176.856 175.510 -0.065 0.000 1.110 215 N CA 0.496 53.407 53.050 -0.233 0.000 0.912 215 N CB 0.327 38.507 38.487 -0.512 0.000 0.968 215 N HN 0.043 nan 8.380 nan 0.000 0.448 216 V N -0.392 119.511 119.914 -0.018 0.000 2.575 216 V HA 0.007 4.128 4.120 0.001 0.000 0.242 216 V C 1.966 178.129 176.094 0.115 0.000 1.045 216 V CA 0.744 63.066 62.300 0.037 0.000 1.065 216 V CB 0.177 32.022 31.823 0.035 0.000 0.717 216 V HN -0.010 nan 8.190 nan 0.000 0.467 217 V N -0.516 119.508 119.914 0.183 0.000 3.235 217 V HA -0.032 4.089 4.120 0.001 0.000 0.259 217 V C 1.581 177.625 176.094 -0.083 0.000 1.133 217 V CA 1.113 63.531 62.300 0.196 0.000 1.128 217 V CB -0.761 31.125 31.823 0.104 0.000 0.757 217 V HN 0.637 nan 8.190 nan 0.000 0.469 218 H N -0.724 118.269 119.070 -0.128 0.000 2.505 218 H HA 0.367 4.924 4.556 0.001 0.000 0.289 218 H C 1.799 176.991 175.328 -0.226 0.000 1.052 218 H CA 0.164 56.076 56.048 -0.226 0.000 1.156 218 H CB 0.245 29.960 29.762 -0.079 0.000 1.507 218 H HN 0.253 nan 8.280 nan 0.000 0.548 219 R N -1.216 119.242 120.500 -0.070 0.000 4.126 219 R HA 0.211 4.551 4.340 0.001 0.000 0.128 219 R C 1.302 177.733 176.300 0.219 0.000 0.687 219 R CA 0.033 56.189 56.100 0.094 0.000 1.049 219 R CB 0.146 30.574 30.300 0.214 0.000 1.559 219 R HN 0.103 nan 8.270 nan 0.000 0.455 220 L N 0.549 121.927 121.223 0.258 0.000 2.201 220 L HA 0.005 4.346 4.340 0.001 0.000 0.212 220 L C 1.134 178.151 176.870 0.246 0.000 1.105 220 L CA 1.177 56.200 54.840 0.306 0.000 0.775 220 L CB -0.081 41.971 42.059 -0.011 0.000 0.913 220 L HN 0.098 nan 8.230 nan 0.000 0.440 221 F N -1.371 118.639 119.950 0.100 0.000 2.664 221 F HA 0.142 4.669 4.527 0.001 0.000 0.301 221 F C 1.063 176.779 175.800 -0.139 0.000 1.126 221 F CA -0.388 57.576 58.000 -0.060 0.000 1.373 221 F CB -0.485 38.433 39.000 -0.136 0.000 1.042 221 F HN 0.015 nan 8.300 nan 0.000 0.535 222 H N -0.674 118.472 119.070 0.127 0.000 2.505 222 H HA 0.376 4.933 4.556 0.001 0.000 0.351 222 H C 1.195 176.534 175.328 0.017 0.000 1.151 222 H CA 0.019 56.077 56.048 0.017 0.000 1.339 222 H CB 1.467 31.183 29.762 -0.078 0.000 1.483 222 H HN 0.100 nan 8.280 nan 0.000 0.558 223 A N 2.087 124.991 122.820 0.140 0.000 2.168 223 A HA -0.125 4.195 4.320 0.001 0.000 0.215 223 A C 2.189 179.814 177.584 0.068 0.000 1.152 223 A CA 1.232 53.307 52.037 0.064 0.000 0.716 223 A CB -0.461 18.553 19.000 0.024 0.000 0.794 223 A HN 0.704 nan 8.150 nan 0.000 0.465 224 S N -1.299 114.433 115.700 0.053 0.000 2.357 224 S HA -0.140 4.330 4.470 0.001 0.000 0.221 224 S C 1.780 176.470 174.600 0.151 0.000 1.031 224 S CA 1.120 59.332 58.200 0.019 0.000 0.982 224 S CB -0.720 62.403 63.200 -0.129 0.000 0.853 224 S HN 0.463 nan 8.310 nan 0.000 0.458 225 Y N 2.429 122.811 120.300 0.138 0.000 2.509 225 Y HA 0.308 4.859 4.550 0.001 0.000 0.293 225 Y C 2.236 178.243 175.900 0.179 0.000 1.133 225 Y CA -0.123 58.070 58.100 0.155 0.000 1.283 225 Y CB -0.535 38.035 38.460 0.184 0.000 1.001 225 Y HN 0.579 nan 8.280 nan 0.000 0.555 226 G N -1.507 107.468 108.800 0.291 0.000 2.296 226 G HA2 -0.114 3.847 3.960 0.001 0.000 0.188 226 G HA3 -0.114 3.847 3.960 0.001 0.000 0.188 226 G C 0.387 175.328 174.900 0.068 0.000 1.000 226 G CA -0.327 44.897 45.100 0.206 0.000 0.672 226 G HN 0.504 nan 8.290 nan 0.000 0.483 227 A N 1.705 124.485 122.820 -0.067 0.000 2.500 227 A HA 0.549 4.869 4.320 0.001 0.000 0.285 227 A C 1.023 178.448 177.584 -0.265 0.000 1.183 227 A CA 0.317 51.989 52.037 -0.607 0.000 0.851 227 A CB -0.260 18.351 19.000 -0.649 0.000 1.091 227 A HN 0.540 nan 8.150 nan 0.000 0.521 228 R N 1.761 122.116 120.500 -0.242 0.000 2.619 228 R HA -0.033 4.308 4.340 0.001 0.000 0.268 228 R C 1.116 177.360 176.300 -0.094 0.000 0.990 228 R CA 0.355 56.386 56.100 -0.115 0.000 1.092 228 R CB 0.491 30.735 30.300 -0.093 0.000 0.935 228 R HN 0.807 nan 8.270 nan 0.000 0.415 229 R N 1.275 121.741 120.500 -0.056 0.000 2.061 229 R HA -0.081 4.259 4.340 0.001 0.000 0.230 229 R C 0.010 176.273 176.300 -0.061 0.000 1.140 229 R CA 1.126 57.197 56.100 -0.049 0.000 0.940 229 R CB -0.005 30.275 30.300 -0.033 0.000 0.839 229 R HN 0.553 nan 8.270 nan 0.000 0.429 230 D N 0.788 121.157 120.400 -0.053 0.000 2.517 230 D HA 0.342 4.983 4.640 0.001 0.000 0.220 230 D C -0.866 175.400 176.300 -0.058 0.000 1.158 230 D CA 0.274 54.242 54.000 -0.054 0.000 0.992 230 D CB 0.885 41.660 40.800 -0.042 0.000 1.058 230 D HN 0.271 nan 8.370 nan 0.000 0.516 231 A N 0.500 123.275 122.820 -0.076 0.000 2.593 231 A HA 0.829 5.149 4.320 0.001 0.000 0.290 231 A C -1.014 176.516 177.584 -0.090 0.000 1.126 231 A CA -0.859 51.132 52.037 -0.078 0.000 0.695 231 A CB 1.392 20.333 19.000 -0.098 0.000 1.290 231 A HN 0.310 nan 8.150 nan 0.000 0.414 232 A N 1.434 124.209 122.820 -0.076 0.000 2.276 232 A HA 0.604 4.925 4.320 0.001 0.000 0.300 232 A C -0.405 177.118 177.584 -0.102 0.000 1.235 232 A CA -0.506 51.481 52.037 -0.083 0.000 0.867 232 A CB 0.077 19.052 19.000 -0.042 0.000 1.137 232 A HN 0.482 nan 8.150 nan 0.000 0.527 233 K N 3.605 123.890 120.400 -0.192 0.000 2.267 233 K HA 0.467 4.787 4.320 0.001 0.000 0.282 233 K C -0.726 175.775 176.600 -0.165 0.000 1.078 233 K CA 0.257 56.355 56.287 -0.316 0.000 0.903 233 K CB 0.753 32.746 32.500 -0.844 0.000 1.111 233 K HN 0.633 nan 8.250 nan 0.000 0.475 234 I N 2.990 123.592 120.570 0.053 0.000 2.562 234 I HA 0.386 4.557 4.170 0.001 0.000 0.301 234 I C -0.696 175.533 176.117 0.187 0.000 1.003 234 I CA -1.385 59.963 61.300 0.079 0.000 1.127 234 I CB 1.639 39.654 38.000 0.025 0.000 1.304 234 I HN 0.233 nan 8.210 nan 0.000 0.446 235 L N 7.198 128.506 121.223 0.142 0.000 2.482 235 L HA 0.576 4.916 4.340 0.001 0.000 0.269 235 L C -1.267 175.675 176.870 0.119 0.000 0.967 235 L CA -0.058 54.864 54.840 0.137 0.000 0.851 235 L CB 1.441 43.610 42.059 0.184 0.000 1.242 235 L HN 0.383 nan 8.230 nan 0.000 0.404 236 I N 5.509 126.099 120.570 0.033 0.000 2.377 236 I HA 0.579 4.749 4.170 0.001 0.000 0.293 236 I C -0.559 175.662 176.117 0.172 0.000 0.987 236 I CA -0.963 60.390 61.300 0.088 0.000 1.185 236 I CB 1.884 39.813 38.000 -0.118 0.000 1.341 236 I HN 0.247 nan 8.210 nan 0.000 0.455 237 V N 7.112 127.159 119.914 0.222 0.000 2.581 237 V HA 0.509 4.629 4.120 0.001 0.000 0.303 237 V C -0.104 176.150 176.094 0.265 0.000 1.041 237 V CA -0.564 61.894 62.300 0.263 0.000 0.907 237 V CB 2.306 34.272 31.823 0.239 0.000 0.994 237 V HN 0.486 nan 8.190 nan 0.000 0.442 238 I N 3.233 123.974 120.570 0.285 0.000 2.476 238 I HA 0.482 4.652 4.170 0.001 0.000 0.281 238 I C -0.332 175.912 176.117 0.211 0.000 1.040 238 I CA 0.016 61.438 61.300 0.204 0.000 1.094 238 I CB 1.873 39.985 38.000 0.188 0.000 1.219 238 I HN 0.679 nan 8.210 nan 0.000 0.450 239 T N 2.498 117.172 114.554 0.201 0.000 2.896 239 T HA 0.352 4.702 4.350 0.001 0.000 0.297 239 T C -0.539 174.341 174.700 0.300 0.000 1.108 239 T CA -0.490 61.770 62.100 0.267 0.000 1.004 239 T CB 1.622 70.715 68.868 0.376 0.000 1.159 239 T HN 0.694 nan 8.240 nan 0.000 0.499 240 D N 0.658 121.280 120.400 0.370 0.000 2.535 240 D HA 0.395 5.036 4.640 0.001 0.000 0.229 240 D C 0.532 177.114 176.300 0.471 0.000 1.238 240 D CA -0.278 54.007 54.000 0.475 0.000 0.824 240 D CB 0.315 41.357 40.800 0.403 0.000 1.045 240 D HN 0.785 nan 8.370 nan 0.000 0.500 241 G N -0.583 108.424 108.800 0.346 0.000 2.559 241 G HA2 0.355 4.315 3.960 0.001 0.000 0.291 241 G HA3 0.355 4.315 3.960 0.001 0.000 0.291 241 G C -0.766 174.148 174.900 0.025 0.000 1.424 241 G CA -0.963 44.151 45.100 0.025 0.000 0.786 241 G HN -0.016 nan 8.290 nan 0.000 0.485 242 K N -0.463 119.901 120.400 -0.060 0.000 2.525 242 K HA 0.313 4.634 4.320 0.001 0.000 0.262 242 K C 0.273 176.939 176.600 0.110 0.000 1.049 242 K CA -0.325 55.976 56.287 0.024 0.000 0.961 242 K CB 0.327 32.816 32.500 -0.018 0.000 1.258 242 K HN 0.575 nan 8.250 nan 0.000 0.501 243 K N 1.678 122.153 120.400 0.125 0.000 2.334 243 K HA 0.125 4.445 4.320 0.001 0.000 0.265 243 K C -0.790 175.811 176.600 0.001 0.000 1.039 243 K CA -0.589 55.753 56.287 0.091 0.000 0.920 243 K CB 0.919 33.478 32.500 0.098 0.000 1.160 243 K HN 0.417 nan 8.250 nan 0.000 0.451 244 E N 2.923 123.092 120.200 -0.052 0.000 2.210 244 E HA 0.335 4.686 4.350 0.001 0.000 0.266 244 E C 0.362 176.827 176.600 -0.225 0.000 0.883 244 E CA -0.603 55.745 56.400 -0.086 0.000 0.761 244 E CB 1.563 31.246 29.700 -0.027 0.000 1.156 244 E HN 0.773 nan 8.360 nan 0.000 0.412 245 G N 3.191 111.855 108.800 -0.226 0.000 2.234 245 G HA2 -0.338 3.622 3.960 0.001 0.000 0.260 245 G HA3 -0.338 3.622 3.960 0.001 0.000 0.260 245 G C 0.126 174.740 174.900 -0.477 0.000 0.987 245 G CA 0.338 45.227 45.100 -0.352 0.000 0.625 245 G HN 0.670 nan 8.290 nan 0.000 0.532 246 D N 1.376 121.510 120.400 -0.443 0.000 2.433 246 D HA 0.371 5.011 4.640 0.001 0.000 0.274 246 D C 1.850 178.152 176.300 0.004 0.000 1.344 246 D CA 0.955 54.853 54.000 -0.169 0.000 0.989 246 D CB 0.249 40.994 40.800 -0.092 0.000 1.116 246 D HN 0.423 nan 8.370 nan 0.000 0.533 247 S N 3.096 118.892 115.700 0.160 0.000 2.603 247 S HA 0.011 4.482 4.470 0.001 0.000 0.229 247 S C 0.955 175.577 174.600 0.036 0.000 0.972 247 S CA -0.097 58.158 58.200 0.092 0.000 0.935 247 S CB -0.007 63.268 63.200 0.125 0.000 0.769 247 S HN 0.408 nan 8.310 nan 0.000 0.536 248 L N 0.687 121.921 121.223 0.017 0.000 2.492 248 L HA 0.591 4.932 4.340 0.001 0.000 0.263 248 L C -0.390 176.417 176.870 -0.105 0.000 1.062 248 L CA -0.889 53.919 54.840 -0.054 0.000 0.817 248 L CB 1.064 43.069 42.059 -0.089 0.000 1.441 248 L HN 0.161 nan 8.230 nan 0.000 0.493 249 D N -2.081 118.237 120.400 -0.137 0.000 2.570 249 D HA 0.187 4.828 4.640 0.001 0.000 0.244 249 D C -0.345 175.846 176.300 -0.182 0.000 1.178 249 D CA -0.352 53.561 54.000 -0.146 0.000 0.881 249 D CB 1.474 42.257 40.800 -0.028 0.000 1.453 249 D HN 0.276 nan 8.370 nan 0.000 0.447 250 Y N 0.556 120.856 120.300 0.000 0.000 2.583 250 Y HA -0.036 4.515 4.550 0.001 0.000 0.293 250 Y C 2.186 178.081 175.900 -0.008 0.000 1.157 250 Y CA 0.528 58.624 58.100 -0.006 0.000 1.315 250 Y CB 0.019 38.478 38.460 -0.002 0.000 1.021 250 Y HN 0.312 nan 8.280 nan 0.000 0.536 251 K N -0.814 119.652 120.400 0.109 0.000 2.432 251 K HA -0.053 4.268 4.320 0.001 0.000 0.196 251 K C 0.323 176.942 176.600 0.031 0.000 1.038 251 K CA 1.553 57.878 56.287 0.065 0.000 0.986 251 K CB 0.121 32.649 32.500 0.047 0.000 0.782 251 K HN 0.124 nan 8.250 nan 0.000 0.485 252 D N 0.905 121.312 120.400 0.011 0.000 2.463 252 D HA -0.062 4.579 4.640 0.001 0.000 0.237 252 D C 2.092 178.388 176.300 -0.007 0.000 1.013 252 D CA 1.054 55.049 54.000 -0.009 0.000 0.910 252 D CB 0.200 40.980 40.800 -0.034 0.000 1.080 252 D HN 0.174 nan 8.370 nan 0.000 0.498 253 V N -0.212 119.695 119.914 -0.013 0.000 2.488 253 V HA -0.075 4.045 4.120 0.001 0.000 0.246 253 V C 2.090 178.207 176.094 0.038 0.000 1.046 253 V CA 0.751 63.047 62.300 -0.006 0.000 1.053 253 V CB -0.518 31.273 31.823 -0.053 0.000 0.679 253 V HN -0.023 nan 8.190 nan 0.000 0.458 254 I N 0.950 121.558 120.570 0.063 0.000 2.315 254 I HA -0.027 4.143 4.170 0.001 0.000 0.248 254 I C 0.254 176.377 176.117 0.010 0.000 1.117 254 I CA 1.297 62.627 61.300 0.049 0.000 1.404 254 I CB -2.730 35.307 38.000 0.062 0.000 1.071 254 I HN 0.375 nan 8.210 nan 0.000 0.419 255 P HA -0.120 nan 4.420 nan 0.000 0.215 255 P C 2.062 179.353 177.300 -0.014 0.000 1.157 255 P CA 1.342 64.439 63.100 -0.005 0.000 0.859 255 P CB -0.203 31.498 31.700 0.001 0.000 0.786 256 M N -2.504 117.099 119.600 0.004 0.000 2.595 256 M HA 0.247 4.728 4.480 0.001 0.000 0.248 256 M C 1.661 177.935 176.300 -0.042 0.000 1.119 256 M CA 1.413 56.712 55.300 -0.002 0.000 1.079 256 M CB -0.435 32.200 32.600 0.058 0.000 1.472 256 M HN -0.218 nan 8.290 nan 0.000 0.501 257 A N 0.922 123.722 122.820 -0.034 0.000 1.903 257 A HA -0.048 4.273 4.320 0.001 0.000 0.213 257 A C 1.583 179.091 177.584 -0.126 0.000 1.185 257 A CA 1.328 53.316 52.037 -0.082 0.000 0.628 257 A CB -0.490 18.486 19.000 -0.040 0.000 0.830 257 A HN 0.453 nan 8.150 nan 0.000 0.446 258 D N 0.258 120.599 120.400 -0.099 0.000 2.350 258 D HA 0.044 4.684 4.640 0.001 0.000 0.216 258 D C 2.014 178.247 176.300 -0.112 0.000 0.968 258 D CA 1.001 54.933 54.000 -0.112 0.000 0.894 258 D CB -0.093 40.653 40.800 -0.089 0.000 0.909 258 D HN 0.416 nan 8.370 nan 0.000 0.520 259 A N 0.939 123.697 122.820 -0.104 0.000 1.858 259 A HA -0.037 4.284 4.320 0.001 0.000 0.216 259 A C 2.221 179.729 177.584 -0.126 0.000 1.190 259 A CA 1.836 53.814 52.037 -0.099 0.000 0.617 259 A CB -0.670 18.280 19.000 -0.083 0.000 0.827 259 A HN 0.215 nan 8.150 nan 0.000 0.443 260 A N -1.251 121.469 122.820 -0.166 0.000 2.239 260 A HA 0.406 4.726 4.320 0.001 0.000 0.209 260 A C 1.453 178.903 177.584 -0.223 0.000 1.171 260 A CA 1.124 53.041 52.037 -0.201 0.000 0.768 260 A CB -1.304 17.539 19.000 -0.263 0.000 0.790 260 A HN 2.145 nan 8.150 nan 0.000 0.478 261 G N -0.400 108.280 108.800 -0.201 0.000 2.788 261 G HA2 -0.139 3.821 3.960 0.001 0.000 0.249 261 G HA3 -0.139 3.821 3.960 0.001 0.000 0.249 261 G C -0.501 174.242 174.900 -0.261 0.000 1.008 261 G CA 0.072 45.054 45.100 -0.196 0.000 1.220 261 G HN 0.620 nan 8.290 nan 0.000 0.506 262 I N 2.925 123.344 120.570 -0.252 0.000 2.476 262 I HA 0.322 4.493 4.170 0.001 0.000 0.281 262 I C 0.763 176.746 176.117 -0.223 0.000 1.040 262 I CA -0.943 60.191 61.300 -0.277 0.000 1.094 262 I CB 1.406 39.217 38.000 -0.315 0.000 1.219 262 I HN 0.265 nan 8.210 nan 0.000 0.450 263 I N 6.259 126.701 120.570 -0.214 0.000 2.587 263 I HA 0.129 4.299 4.170 0.001 0.000 0.284 263 I C 0.388 176.329 176.117 -0.294 0.000 1.134 263 I CA 0.230 61.339 61.300 -0.317 0.000 1.410 263 I CB 0.196 38.048 38.000 -0.247 0.000 1.392 263 I HN 0.469 nan 8.210 nan 0.000 0.545 264 R N 6.300 126.550 120.500 -0.417 0.000 2.343 264 R HA 0.482 4.823 4.340 0.001 0.000 0.320 264 R C -1.201 174.947 176.300 -0.254 0.000 0.956 264 R CA -0.654 55.317 56.100 -0.216 0.000 0.836 264 R CB 1.443 31.657 30.300 -0.143 0.000 1.151 264 R HN 0.410 nan 8.270 nan 0.000 0.450 265 Y N 0.735 121.055 120.300 0.032 0.000 2.565 265 Y HA 0.699 5.249 4.550 0.001 0.000 0.325 265 Y C 0.337 176.293 175.900 0.094 0.000 1.221 265 Y CA -0.671 57.502 58.100 0.122 0.000 1.316 265 Y CB 1.710 40.277 38.460 0.177 0.000 1.404 265 Y HN 0.600 nan 8.280 nan 0.000 0.527 266 A N 1.075 124.073 122.820 0.298 0.000 2.512 266 A HA 0.673 4.993 4.320 0.001 0.000 0.294 266 A C -1.721 175.940 177.584 0.128 0.000 1.054 266 A CA -0.472 51.662 52.037 0.161 0.000 0.756 266 A CB 0.471 19.502 19.000 0.052 0.000 1.293 266 A HN 0.622 nan 8.150 nan 0.000 0.395 267 I N 3.094 123.716 120.570 0.087 0.000 2.493 267 I HA 0.462 4.633 4.170 0.001 0.000 0.279 267 I C 0.797 176.819 176.117 -0.158 0.000 1.045 267 I CA -0.454 60.842 61.300 -0.006 0.000 1.106 267 I CB 1.754 39.771 38.000 0.028 0.000 1.216 267 I HN 0.767 nan 8.210 nan 0.000 0.459 268 G N 4.600 113.181 108.800 -0.364 0.000 2.547 268 G HA2 0.681 4.642 3.960 0.001 0.000 0.291 268 G HA3 0.681 4.642 3.960 0.001 0.000 0.291 268 G C -0.787 173.676 174.900 -0.728 0.000 1.211 268 G CA -0.372 44.272 45.100 -0.759 0.000 0.950 268 G HN 0.295 nan 8.290 nan 0.000 0.504 269 V N -0.101 119.339 119.914 -0.790 0.000 2.653 269 V HA 0.690 4.810 4.120 0.001 0.000 0.298 269 V C 0.623 176.606 176.094 -0.186 0.000 1.097 269 V CA 0.376 62.328 62.300 -0.580 0.000 0.908 269 V CB 1.051 32.269 31.823 -1.008 0.000 1.024 269 V HN 1.650 nan 8.190 nan 0.000 0.435 270 G N 2.980 111.740 108.800 -0.068 0.000 3.611 270 G HA2 -0.044 3.916 3.960 0.001 0.000 0.217 270 G HA3 -0.044 3.916 3.960 0.001 0.000 0.217 270 G C 0.519 175.528 174.900 0.182 0.000 1.023 270 G CA 0.311 45.511 45.100 0.165 0.000 0.887 270 G HN 1.612 nan 8.290 nan 0.000 0.420 271 L N -1.021 120.341 121.223 0.231 0.000 5.174 271 L HA -0.266 4.074 4.340 0.001 0.000 0.420 271 L C 1.981 179.003 176.870 0.253 0.000 0.973 271 L CA 1.701 56.668 54.840 0.213 0.000 1.381 271 L CB -1.331 40.794 42.059 0.110 0.000 1.819 271 L HN 1.366 nan 8.230 nan 0.000 0.645 272 A N -0.550 122.429 122.820 0.265 0.000 2.178 272 A HA -0.035 4.286 4.320 0.001 0.000 0.218 272 A C 1.509 179.153 177.584 0.100 0.000 1.157 272 A CA 1.724 53.838 52.037 0.128 0.000 0.689 272 A CB -0.807 18.214 19.000 0.035 0.000 0.787 272 A HN 0.640 nan 8.150 nan 0.000 0.465 273 F N -0.810 119.194 119.950 0.090 0.000 2.325 273 F HA -0.071 4.457 4.527 0.001 0.000 0.299 273 F C 2.368 178.329 175.800 0.267 0.000 1.090 273 F CA 1.312 59.389 58.000 0.129 0.000 1.392 273 F CB -0.054 38.982 39.000 0.060 0.000 1.053 273 F HN 0.287 nan 8.300 nan 0.000 0.521 274 Q N 0.684 120.738 119.800 0.423 0.000 2.466 274 Q HA -0.039 4.302 4.340 0.001 0.000 0.210 274 Q C -0.170 175.935 176.000 0.176 0.000 0.961 274 Q CA -0.043 55.971 55.803 0.352 0.000 0.953 274 Q CB -0.119 28.758 28.738 0.230 0.000 1.011 274 Q HN 0.227 nan 8.270 nan 0.000 0.516 275 N N 0.062 118.861 118.700 0.164 0.000 2.445 275 N HA 0.104 4.844 4.740 0.001 0.000 0.264 275 N C 0.119 175.688 175.510 0.098 0.000 1.227 275 N CA -0.173 52.927 53.050 0.083 0.000 0.963 275 N CB 0.722 39.240 38.487 0.052 0.000 1.188 275 N HN 0.045 nan 8.380 nan 0.000 0.491 276 R N 1.011 121.535 120.500 0.040 0.000 2.335 276 R HA 0.051 4.391 4.340 0.001 0.000 0.223 276 R C 0.350 176.687 176.300 0.062 0.000 0.940 276 R CA 0.156 56.278 56.100 0.035 0.000 1.086 276 R CB -0.753 29.537 30.300 -0.018 0.000 1.073 276 R HN 0.596 nan 8.270 nan 0.000 0.504 277 N N -1.580 117.155 118.700 0.059 0.000 2.227 277 N HA 0.028 4.768 4.740 0.001 0.000 0.196 277 N C 0.401 175.929 175.510 0.031 0.000 1.142 277 N CA -0.062 53.011 53.050 0.039 0.000 0.887 277 N CB 0.461 38.957 38.487 0.014 0.000 1.022 277 N HN -0.222 nan 8.380 nan 0.000 0.500 278 S N -0.777 114.948 115.700 0.041 0.000 2.730 278 S HA 0.170 4.641 4.470 0.001 0.000 0.244 278 S C 0.069 174.723 174.600 0.090 0.000 1.022 278 S CA -0.796 57.378 58.200 -0.044 0.000 1.014 278 S CB 0.047 63.092 63.200 -0.258 0.000 0.963 278 S HN 0.470 nan 8.310 nan 0.000 0.540 279 W N 3.455 124.758 121.300 0.006 0.000 2.872 279 W HA 0.139 4.799 4.660 0.001 0.000 0.266 279 W C 1.220 177.751 176.519 0.020 0.000 1.276 279 W CA 0.355 57.732 57.345 0.054 0.000 1.471 279 W CB 0.153 29.637 29.460 0.040 0.000 1.071 279 W HN 0.322 nan 8.180 nan 0.000 0.619 280 K N 0.253 120.763 120.400 0.183 0.000 2.432 280 K HA -0.004 4.316 4.320 0.001 0.000 0.196 280 K C 0.992 177.529 176.600 -0.106 0.000 1.038 280 K CA 1.009 57.339 56.287 0.071 0.000 0.986 280 K CB -0.316 32.230 32.500 0.077 0.000 0.782 280 K HN 0.070 nan 8.250 nan 0.000 0.485 281 E N 0.742 120.870 120.200 -0.120 0.000 2.479 281 E HA 0.122 4.472 4.350 0.001 0.000 0.193 281 E C 1.232 177.727 176.600 -0.175 0.000 1.049 281 E CA -0.075 56.195 56.400 -0.216 0.000 0.870 281 E CB 0.235 29.887 29.700 -0.080 0.000 0.944 281 E HN 0.346 nan 8.360 nan 0.000 0.492 282 L N 0.141 121.242 121.223 -0.204 0.000 2.408 282 L HA 0.048 4.388 4.340 0.001 0.000 0.215 282 L C 1.593 178.319 176.870 -0.240 0.000 1.081 282 L CA 0.210 54.913 54.840 -0.227 0.000 0.840 282 L CB -0.007 41.826 42.059 -0.377 0.000 1.002 282 L HN 0.057 nan 8.230 nan 0.000 0.468 283 N N 0.351 118.903 118.700 -0.246 0.000 2.173 283 N HA -0.136 4.605 4.740 0.001 0.000 0.184 283 N C 1.344 176.763 175.510 -0.152 0.000 1.025 283 N CA 1.190 54.146 53.050 -0.156 0.000 0.852 283 N CB -0.246 38.199 38.487 -0.071 0.000 0.998 283 N HN 0.160 nan 8.380 nan 0.000 0.427 284 D N 0.929 121.200 120.400 -0.215 0.000 2.097 284 D HA -0.066 4.574 4.640 0.001 0.000 0.195 284 D C 2.084 178.244 176.300 -0.235 0.000 0.989 284 D CA 0.568 54.410 54.000 -0.263 0.000 0.827 284 D CB -0.306 40.205 40.800 -0.482 0.000 0.966 284 D HN 0.243 nan 8.370 nan 0.000 0.456 285 I N 1.192 121.603 120.570 -0.264 0.000 2.113 285 I HA -0.192 3.979 4.170 0.001 0.000 0.238 285 I C 1.412 177.487 176.117 -0.069 0.000 1.070 285 I CA 0.575 61.819 61.300 -0.093 0.000 1.332 285 I CB -0.418 37.566 38.000 -0.026 0.000 1.044 285 I HN -0.069 nan 8.210 nan 0.000 0.402 286 A N 0.215 122.979 122.820 -0.094 0.000 2.409 286 A HA 0.159 4.480 4.320 0.001 0.000 0.246 286 A C 0.426 177.906 177.584 -0.174 0.000 1.099 286 A CA 0.193 52.155 52.037 -0.125 0.000 0.789 286 A CB 0.216 19.160 19.000 -0.094 0.000 1.053 286 A HN 0.288 nan 8.150 nan 0.000 0.503 287 S N -0.675 114.835 115.700 -0.316 0.000 2.617 287 S HA 0.391 4.861 4.470 0.001 0.000 0.283 287 S C -0.006 174.456 174.600 -0.229 0.000 1.189 287 S CA -0.721 57.286 58.200 -0.320 0.000 1.036 287 S CB 0.332 63.261 63.200 -0.451 0.000 1.014 287 S HN 0.554 nan 8.310 nan 0.000 0.522 288 K N 2.760 123.093 120.400 -0.112 0.000 2.382 288 K HA 0.263 4.584 4.320 0.001 0.000 0.275 288 K C -2.365 174.291 176.600 0.094 0.000 1.009 288 K CA -1.088 55.197 56.287 -0.004 0.000 0.970 288 K CB -0.047 32.444 32.500 -0.015 0.000 0.934 288 K HN 0.434 nan 8.250 nan 0.000 0.479 289 P HA 0.135 nan 4.420 nan 0.000 0.276 289 P C -0.160 177.188 177.300 0.080 0.000 1.244 289 P CA -0.420 62.719 63.100 0.064 0.000 0.801 289 P CB 1.000 32.711 31.700 0.019 0.000 1.006 290 S N -0.180 115.535 115.700 0.024 0.000 2.489 290 S HA -0.074 4.397 4.470 0.001 0.000 0.228 290 S C 1.275 175.845 174.600 -0.051 0.000 0.995 290 S CA 0.754 58.950 58.200 -0.008 0.000 0.934 290 S CB -0.289 62.910 63.200 -0.001 0.000 0.771 290 S HN 0.479 nan 8.310 nan 0.000 0.522 291 Q N 0.532 120.303 119.800 -0.048 0.000 2.320 291 Q HA 0.194 4.535 4.340 0.001 0.000 0.201 291 Q C 0.770 176.664 176.000 -0.177 0.000 0.910 291 Q CA 0.327 56.081 55.803 -0.082 0.000 0.946 291 Q CB 0.260 28.985 28.738 -0.022 0.000 1.062 291 Q HN 0.654 nan 8.270 nan 0.000 0.503 292 E N -1.222 118.835 120.200 -0.238 0.000 2.391 292 E HA 0.043 4.394 4.350 0.001 0.000 0.206 292 E C 0.064 176.397 176.600 -0.444 0.000 0.851 292 E CA 0.133 56.318 56.400 -0.359 0.000 1.059 292 E CB 0.419 29.849 29.700 -0.450 0.000 1.065 292 E HN 0.385 nan 8.360 nan 0.000 0.512 293 H N 0.412 119.374 119.070 -0.180 0.000 2.579 293 H HA 0.401 4.958 4.556 0.001 0.000 0.289 293 H C -0.644 174.628 175.328 -0.094 0.000 1.270 293 H CA 0.095 56.030 56.048 -0.188 0.000 1.060 293 H CB 0.046 29.540 29.762 -0.448 0.000 1.554 293 H HN -0.049 nan 8.280 nan 0.000 0.515 294 I N 0.234 120.664 120.570 -0.235 0.000 2.841 294 I HA 0.220 4.390 4.170 0.001 0.000 0.298 294 I C -1.350 174.384 176.117 -0.638 0.000 1.304 294 I CA -0.744 60.410 61.300 -0.243 0.000 1.019 294 I CB 2.380 40.215 38.000 -0.275 0.000 1.282 294 I HN 0.091 nan 8.210 nan 0.000 0.432 295 F N 4.341 124.287 119.950 -0.007 0.000 2.946 295 F HA 0.303 4.831 4.527 0.001 0.000 0.375 295 F C 0.087 175.826 175.800 -0.101 0.000 1.320 295 F CA -0.573 57.412 58.000 -0.025 0.000 1.181 295 F CB 0.978 39.989 39.000 0.019 0.000 2.051 295 F HN 0.223 nan 8.300 nan 0.000 0.622 296 K N 1.488 121.858 120.400 -0.051 0.000 2.319 296 K HA 0.683 5.004 4.320 0.001 0.000 0.265 296 K C -0.576 175.946 176.600 -0.129 0.000 1.000 296 K CA -0.103 56.083 56.287 -0.168 0.000 0.943 296 K CB 0.931 33.302 32.500 -0.214 0.000 0.950 296 K HN 0.293 nan 8.250 nan 0.000 0.485 297 V N 1.817 121.595 119.914 -0.227 0.000 3.206 297 V HA 0.162 4.283 4.120 0.001 0.000 0.305 297 V C 0.166 176.118 176.094 -0.237 0.000 1.257 297 V CA -0.797 61.384 62.300 -0.198 0.000 1.057 297 V CB 1.910 33.592 31.823 -0.237 0.000 1.075 297 V HN 0.950 nan 8.190 nan 0.000 0.443 298 E N -0.011 120.085 120.200 -0.173 0.000 2.206 298 E HA 0.080 4.430 4.350 0.001 0.000 0.195 298 E C -0.303 176.171 176.600 -0.210 0.000 0.935 298 E CA 0.263 56.574 56.400 -0.148 0.000 0.875 298 E CB 0.427 30.092 29.700 -0.058 0.000 0.841 298 E HN 0.739 nan 8.360 nan 0.000 0.477 299 D N -1.227 119.061 120.400 -0.186 0.000 2.181 299 D HA 0.135 4.776 4.640 0.001 0.000 0.248 299 D C -0.081 176.081 176.300 -0.230 0.000 1.020 299 D CA -0.413 53.506 54.000 -0.135 0.000 0.891 299 D CB 0.993 41.773 40.800 -0.034 0.000 1.187 299 D HN -0.161 nan 8.370 nan 0.000 0.443 300 F N 0.478 120.392 119.950 -0.060 0.000 2.615 300 F HA 0.027 4.554 4.527 0.001 0.000 0.297 300 F C 1.812 177.562 175.800 -0.083 0.000 1.124 300 F CA 0.146 58.091 58.000 -0.091 0.000 1.451 300 F CB 0.230 39.191 39.000 -0.065 0.000 1.103 300 F HN 0.290 nan 8.300 nan 0.000 0.569 301 D N 0.536 121.005 120.400 0.115 0.000 2.110 301 D HA -0.037 4.603 4.640 0.001 0.000 0.202 301 D C 1.980 178.292 176.300 0.021 0.000 0.975 301 D CA 1.229 55.268 54.000 0.065 0.000 0.839 301 D CB -0.562 40.274 40.800 0.060 0.000 0.996 301 D HN 0.158 nan 8.370 nan 0.000 0.464 302 A N 0.538 123.354 122.820 -0.006 0.000 2.346 302 A HA 0.140 4.461 4.320 0.001 0.000 0.242 302 A C 1.599 179.141 177.584 -0.069 0.000 1.323 302 A CA -0.123 51.901 52.037 -0.022 0.000 0.940 302 A CB -0.664 18.325 19.000 -0.018 0.000 0.943 302 A HN 0.159 nan 8.150 nan 0.000 0.501 303 L N -1.401 119.752 121.223 -0.116 0.000 2.492 303 L HA 0.146 4.487 4.340 0.001 0.000 0.223 303 L C 1.585 178.327 176.870 -0.213 0.000 1.132 303 L CA 1.620 56.300 54.840 -0.267 0.000 0.850 303 L CB -0.133 41.673 42.059 -0.422 0.000 0.966 303 L HN 0.285 nan 8.230 nan 0.000 0.454 304 K N -0.960 119.438 120.400 -0.003 0.000 2.374 304 K HA 0.021 4.342 4.320 0.001 0.000 0.196 304 K C 1.018 177.679 176.600 0.102 0.000 1.023 304 K CA 0.332 56.720 56.287 0.169 0.000 1.103 304 K CB 0.187 32.797 32.500 0.185 0.000 0.848 304 K HN 0.173 nan 8.250 nan 0.000 0.528 305 D N 1.700 122.124 120.400 0.040 0.000 2.183 305 D HA -0.098 4.543 4.640 0.001 0.000 0.203 305 D C 1.466 177.783 176.300 0.029 0.000 0.969 305 D CA 0.722 54.739 54.000 0.030 0.000 0.842 305 D CB 0.248 41.055 40.800 0.012 0.000 0.957 305 D HN 0.374 nan 8.370 nan 0.000 0.484 306 I N -1.208 119.373 120.570 0.018 0.000 3.812 306 I HA 0.166 4.337 4.170 0.001 0.000 0.320 306 I C 1.712 177.869 176.117 0.067 0.000 1.276 306 I CA -0.017 61.277 61.300 -0.010 0.000 1.164 306 I CB 0.018 37.986 38.000 -0.053 0.000 1.009 306 I HN -0.157 nan 8.210 nan 0.000 0.431 307 Q N 2.226 122.152 119.800 0.209 0.000 2.167 307 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 307 Q C 1.876 177.928 176.000 0.086 0.000 0.970 307 Q CA 2.135 58.098 55.803 0.267 0.000 0.855 307 Q CB -0.381 28.532 28.738 0.292 0.000 0.911 307 Q HN 0.576 nan 8.270 nan 0.000 0.438 308 N N -0.479 118.253 118.700 0.055 0.000 2.396 308 N HA -0.122 4.619 4.740 0.001 0.000 0.180 308 N C 1.370 176.876 175.510 -0.006 0.000 1.028 308 N CA 1.352 54.416 53.050 0.023 0.000 0.893 308 N CB 0.114 38.615 38.487 0.024 0.000 0.967 308 N HN 0.467 nan 8.380 nan 0.000 0.440 309 Q N -0.845 118.923 119.800 -0.053 0.000 2.259 309 Q HA 0.052 4.392 4.340 0.001 0.000 0.201 309 Q C 1.602 177.472 176.000 -0.215 0.000 0.938 309 Q CA 0.338 56.066 55.803 -0.125 0.000 0.872 309 Q CB 0.033 28.660 28.738 -0.184 0.000 0.971 309 Q HN 0.256 nan 8.270 nan 0.000 0.494 310 L N 2.385 123.456 121.223 -0.253 0.000 2.265 310 L HA -0.181 4.159 4.340 0.001 0.000 0.215 310 L C 2.109 178.933 176.870 -0.076 0.000 1.117 310 L CA 1.618 56.303 54.840 -0.258 0.000 0.782 310 L CB -0.429 41.536 42.059 -0.155 0.000 0.914 310 L HN 0.120 nan 8.230 nan 0.000 0.441 311 K N -0.541 119.857 120.400 -0.003 0.000 2.097 311 K HA -0.329 3.991 4.320 0.001 0.000 0.214 311 K C 1.950 178.652 176.600 0.169 0.000 1.052 311 K CA 2.419 58.757 56.287 0.084 0.000 0.932 311 K CB -0.693 31.849 32.500 0.071 0.000 0.716 311 K HN 0.656 nan 8.250 nan 0.000 0.455 312 E N 0.479 120.745 120.200 0.109 0.000 2.079 312 E HA -0.069 4.282 4.350 0.001 0.000 0.191 312 E C 1.834 178.536 176.600 0.170 0.000 0.961 312 E CA 0.027 56.525 56.400 0.163 0.000 0.823 312 E CB 0.215 29.980 29.700 0.109 0.000 0.789 312 E HN 0.117 nan 8.360 nan 0.000 0.459 313 K N 0.750 121.233 120.400 0.138 0.000 2.228 313 K HA -0.146 4.175 4.320 0.001 0.000 0.205 313 K C 2.036 178.785 176.600 0.248 0.000 1.045 313 K CA 1.070 57.497 56.287 0.234 0.000 0.931 313 K CB -0.215 32.509 32.500 0.373 0.000 0.727 313 K HN 0.393 nan 8.250 nan 0.000 0.458 314 I N -1.018 119.616 120.570 0.107 0.000 2.703 314 I HA -0.127 4.043 4.170 0.001 0.000 0.259 314 I C 1.607 177.765 176.117 0.068 0.000 1.151 314 I CA 0.441 61.783 61.300 0.069 0.000 1.470 314 I CB -0.074 37.909 38.000 -0.028 0.000 1.112 314 I HN -0.078 nan 8.210 nan 0.000 0.437 315 F N 1.077 121.112 119.950 0.141 0.000 2.456 315 F HA 0.067 4.594 4.527 0.001 0.000 0.298 315 F C 2.454 178.305 175.800 0.085 0.000 1.104 315 F CA 0.721 58.773 58.000 0.087 0.000 1.435 315 F CB -0.459 38.535 39.000 -0.009 0.000 1.078 315 F HN -0.052 nan 8.300 nan 0.000 0.546 316 A N -0.028 122.950 122.820 0.263 0.000 2.235 316 A HA 0.049 4.370 4.320 0.001 0.000 0.208 316 A C 1.133 178.814 177.584 0.161 0.000 1.172 316 A CA -0.129 52.019 52.037 0.186 0.000 0.786 316 A CB -1.061 18.034 19.000 0.158 0.000 0.804 316 A HN 0.290 nan 8.150 nan 0.000 0.479 317 I N 0.202 120.875 120.570 0.172 0.000 2.587 317 I HA 0.024 4.195 4.170 0.001 0.000 0.284 317 I C 0.969 177.150 176.117 0.107 0.000 1.134 317 I CA 0.383 61.765 61.300 0.137 0.000 1.410 317 I CB 0.647 38.724 38.000 0.129 0.000 1.392 317 I HN 0.578 nan 8.210 nan 0.000 0.545 318 E N 5.394 125.643 120.200 0.081 0.000 2.870 318 E HA 0.396 4.746 4.350 0.001 0.000 0.185 318 E C 0.087 176.705 176.600 0.031 0.000 1.084 318 E CA 0.111 56.548 56.400 0.062 0.000 1.246 318 E CB 0.840 30.578 29.700 0.063 0.000 1.382 318 E HN 0.663 nan 8.360 nan 0.000 0.492 319 G N 0.110 108.923 108.800 0.022 0.000 2.524 319 G HA2 0.307 4.267 3.960 0.001 0.000 0.306 319 G HA3 0.307 4.267 3.960 0.001 0.000 0.306 319 G C -1.471 173.428 174.900 -0.002 0.000 1.420 319 G CA -0.138 44.959 45.100 -0.004 0.000 1.086 319 G HN 0.028 nan 8.290 nan 0.000 0.591 320 T N 0.555 115.101 114.554 -0.012 0.000 3.155 320 T HA 0.625 4.976 4.350 0.001 0.000 0.384 320 T C 0.306 174.990 174.700 -0.027 0.000 1.351 320 T CA 0.009 62.103 62.100 -0.010 0.000 1.198 320 T CB 0.661 69.529 68.868 -0.001 0.000 1.106 320 T HN 0.719 nan 8.240 nan 0.000 0.564 321 E N 2.139 122.325 120.200 -0.024 0.000 3.151 321 E HA 0.033 4.384 4.350 0.001 0.000 0.246 321 E C 0.475 177.061 176.600 -0.022 0.000 1.150 321 E CA 0.177 56.559 56.400 -0.030 0.000 1.806 321 E CB 0.276 29.953 29.700 -0.039 0.000 2.295 321 E HN 0.548 nan 8.360 nan 0.000 1.000 322 T N 0.750 115.291 114.554 -0.021 0.000 3.218 322 T HA 0.150 4.501 4.350 0.001 0.000 0.241 322 T C 0.142 174.840 174.700 -0.005 0.000 0.929 322 T CA 0.407 62.499 62.100 -0.014 0.000 0.979 322 T CB -0.402 68.455 68.868 -0.019 0.000 1.129 322 T HN 0.335 nan 8.240 nan 0.000 0.559 323 T N -0.445 114.108 114.554 -0.001 0.000 3.626 323 T HA -0.277 4.074 4.350 0.001 0.000 0.393 323 T C 0.317 175.025 174.700 0.013 0.000 0.765 323 T CA 0.351 62.456 62.100 0.008 0.000 2.006 323 T CB -3.315 65.560 68.868 0.012 0.000 1.739 323 T HN 2.190 nan 8.240 nan 0.000 0.720 324 S N -2.209 113.497 115.700 0.010 0.000 4.026 324 S HA -0.007 4.464 4.470 0.001 0.000 0.305 324 S C 0.262 174.872 174.600 0.017 0.000 0.787 324 S CA 0.405 58.614 58.200 0.014 0.000 1.314 324 S CB -1.455 61.763 63.200 0.030 0.000 1.849 324 S HN 2.101 nan 8.310 nan 0.000 0.444 325 S N 1.884 117.580 115.700 -0.006 0.000 3.255 325 S HA 0.978 5.448 4.470 0.001 0.000 0.305 325 S C 0.077 174.653 174.600 -0.041 0.000 1.067 325 S CA 0.786 58.982 58.200 -0.007 0.000 0.966 325 S CB 1.323 64.509 63.200 -0.022 0.000 1.366 325 S HN 2.505 nan 8.310 nan 0.000 0.717 326 S N -0.465 115.210 115.700 -0.041 0.000 3.600 326 S HA 0.365 4.835 4.470 0.001 0.000 0.281 326 S C -0.376 174.187 174.600 -0.062 0.000 1.197 326 S CA 0.476 58.586 58.200 -0.149 0.000 1.661 326 S CB -0.257 62.661 63.200 -0.469 0.000 1.510 326 S HN 0.943 nan 8.310 nan 0.000 0.310 327 S N -0.784 114.840 115.700 -0.126 0.000 2.290 327 S HA 0.376 4.846 4.470 0.001 0.000 0.266 327 S C -0.168 174.458 174.600 0.043 0.000 0.995 327 S CA -0.477 57.684 58.200 -0.065 0.000 1.482 327 S CB -0.401 62.702 63.200 -0.161 0.000 1.176 327 S HN 0.535 nan 8.310 nan 0.000 0.599 328 F N 3.251 123.222 119.950 0.035 0.000 2.625 328 F HA -0.127 4.400 4.527 0.001 0.000 0.292 328 F C 1.852 177.650 175.800 -0.003 0.000 1.035 328 F CA 1.232 59.206 58.000 -0.043 0.000 1.259 328 F CB 0.462 39.370 39.000 -0.154 0.000 0.976 328 F HN 0.087 nan 8.300 nan 0.000 0.652 329 E N -0.139 120.144 120.200 0.138 0.000 3.275 329 E HA 0.350 4.701 4.350 0.001 0.000 0.182 329 E C 0.054 176.560 176.600 -0.157 0.000 1.217 329 E CA 0.213 56.680 56.400 0.111 0.000 1.276 329 E CB 0.251 29.988 29.700 0.061 0.000 1.980 329 E HN 0.439 nan 8.360 nan 0.000 0.516 330 L N 1.900 123.020 121.223 -0.171 0.000 2.559 330 L HA 0.226 4.567 4.340 0.001 0.000 0.276 330 L C 0.013 176.743 176.870 -0.233 0.000 1.457 330 L CA 0.039 54.722 54.840 -0.262 0.000 0.708 330 L CB 1.052 42.968 42.059 -0.238 0.000 0.987 330 L HN -0.029 nan 8.230 nan 0.000 0.518 331 E N 0.555 120.602 120.200 -0.256 0.000 2.206 331 E HA 0.221 4.571 4.350 0.001 0.000 0.195 331 E C 0.677 177.187 176.600 -0.149 0.000 0.935 331 E CA 0.901 57.135 56.400 -0.278 0.000 0.875 331 E CB 0.380 29.660 29.700 -0.700 0.000 0.841 331 E HN 0.355 nan 8.360 nan 0.000 0.477 332 M N 0.066 119.481 119.600 -0.308 0.000 3.074 332 M HA 0.492 4.973 4.480 0.001 0.000 0.252 332 M C 0.239 176.261 176.300 -0.463 0.000 1.181 332 M CA -0.243 54.887 55.300 -0.282 0.000 0.771 332 M CB 1.369 33.823 32.600 -0.243 0.000 1.375 332 M HN 0.048 nan 8.290 nan 0.000 0.512 333 A N -0.118 122.507 122.820 -0.325 0.000 2.220 333 A HA 0.100 4.420 4.320 0.001 0.000 0.211 333 A C 1.145 178.661 177.584 -0.113 0.000 1.176 333 A CA 0.146 52.018 52.037 -0.275 0.000 0.834 333 A CB 0.072 18.929 19.000 -0.239 0.000 0.868 333 A HN 0.729 nan 8.150 nan 0.000 0.488 334 Q N 0.464 120.216 119.800 -0.080 0.000 2.411 334 Q HA -0.232 4.108 4.340 0.001 0.000 0.305 334 Q C 0.027 176.046 176.000 0.032 0.000 1.273 334 Q CA 0.883 56.680 55.803 -0.009 0.000 0.895 334 Q CB -1.477 27.285 28.738 0.040 0.000 1.198 334 Q HN 0.864 nan 8.270 nan 0.000 0.470 335 E N -0.539 119.656 120.200 -0.010 0.000 2.508 335 E HA 0.050 4.401 4.350 0.001 0.000 0.266 335 E C 1.282 177.905 176.600 0.039 0.000 1.010 335 E CA 1.150 57.570 56.400 0.034 0.000 0.955 335 E CB 0.079 29.747 29.700 -0.053 0.000 0.946 335 E HN 0.496 nan 8.360 nan 0.000 0.454 336 G N 3.529 112.375 108.800 0.078 0.000 2.157 336 G HA2 -0.332 3.628 3.960 0.001 0.000 0.239 336 G HA3 -0.332 3.628 3.960 0.001 0.000 0.239 336 G C 0.356 175.282 174.900 0.043 0.000 0.982 336 G CA 0.244 45.364 45.100 0.033 0.000 0.650 336 G HN 0.646 nan 8.290 nan 0.000 0.527 337 F N 2.486 122.403 119.950 -0.056 0.000 2.202 337 F HA 0.191 4.718 4.527 0.001 0.000 0.301 337 F C 1.406 177.129 175.800 -0.128 0.000 1.082 337 F CA 2.201 60.137 58.000 -0.106 0.000 1.313 337 F CB 0.185 39.105 39.000 -0.133 0.000 1.024 337 F HN 0.725 nan 8.300 nan 0.000 0.495 338 S N -0.469 115.225 115.700 -0.010 0.000 2.592 338 S HA 0.781 5.251 4.470 0.001 0.000 0.275 338 S C -0.874 173.727 174.600 0.002 0.000 1.169 338 S CA -0.394 57.763 58.200 -0.072 0.000 0.958 338 S CB 1.038 64.227 63.200 -0.018 0.000 1.095 338 S HN 0.483 nan 8.310 nan 0.000 0.471 339 A N 1.863 124.671 122.820 -0.020 0.000 2.413 339 A HA 0.997 5.318 4.320 0.001 0.000 0.307 339 A C -0.839 176.749 177.584 0.007 0.000 1.087 339 A CA -1.019 51.006 52.037 -0.020 0.000 0.750 339 A CB 1.990 20.948 19.000 -0.070 0.000 1.296 339 A HN 1.956 nan 8.150 nan 0.000 0.423 340 V N 1.650 121.560 119.914 -0.007 0.000 3.000 340 V HA 0.620 4.741 4.120 0.001 0.000 0.300 340 V C -1.340 174.794 176.094 0.066 0.000 1.251 340 V CA -0.771 61.589 62.300 0.099 0.000 0.972 340 V CB 1.511 33.397 31.823 0.104 0.000 1.065 340 V HN 0.874 nan 8.190 nan 0.000 0.431 341 F N 3.093 123.074 119.950 0.051 0.000 2.284 341 F HA 0.795 5.322 4.527 0.001 0.000 0.297 341 F C 0.861 176.694 175.800 0.055 0.000 1.215 341 F CA 0.779 58.813 58.000 0.056 0.000 1.120 341 F CB 1.359 40.389 39.000 0.050 0.000 1.426 341 F HN 0.652 nan 8.300 nan 0.000 0.514 342 T N -0.669 114.051 114.554 0.277 0.000 3.094 342 T HA 0.178 4.529 4.350 0.001 0.000 0.373 342 T C -2.433 172.357 174.700 0.151 0.000 1.806 342 T CA -1.088 61.114 62.100 0.169 0.000 1.107 342 T CB 1.046 69.986 68.868 0.120 0.000 1.632 342 T HN 0.139 nan 8.240 nan 0.000 0.488 343 P HA -0.104 nan 4.420 nan 0.000 0.218 343 P C 0.088 177.446 177.300 0.097 0.000 1.150 343 P CA 1.593 64.748 63.100 0.093 0.000 0.841 343 P CB -0.115 31.626 31.700 0.068 0.000 0.784 344 D N -1.506 118.954 120.400 0.101 0.000 3.133 344 D HA 0.458 5.098 4.640 0.001 0.000 0.288 344 D C 0.614 176.982 176.300 0.114 0.000 1.346 344 D CA -0.573 53.488 54.000 0.102 0.000 0.934 344 D CB -0.582 40.279 40.800 0.101 0.000 1.042 344 D HN 0.167 nan 8.370 nan 0.000 0.506 345 G N 0.739 109.614 108.800 0.124 0.000 2.712 345 G HA2 -0.129 3.831 3.960 0.001 0.000 0.686 345 G HA3 -0.129 3.831 3.960 0.001 0.000 0.686 345 G C -2.833 172.129 174.900 0.104 0.000 1.321 345 G CA -1.148 44.028 45.100 0.127 0.000 0.813 345 G HN 0.265 nan 8.290 nan 0.000 0.599 346 P HA 0.492 nan 4.420 nan 0.000 0.272 346 P C -0.197 177.118 177.300 0.025 0.000 1.254 346 P CA -0.406 62.613 63.100 -0.136 0.000 0.795 346 P CB 0.773 32.276 31.700 -0.328 0.000 1.022 347 V N 0.922 120.818 119.914 -0.030 0.000 2.610 347 V HA 0.191 4.311 4.120 0.001 0.000 0.288 347 V C -0.599 175.525 176.094 0.051 0.000 1.055 347 V CA -0.363 61.968 62.300 0.051 0.000 0.902 347 V CB 1.273 33.109 31.823 0.023 0.000 1.030 347 V HN 0.273 nan 8.190 nan 0.000 0.448 348 L N 3.348 124.660 121.223 0.148 0.000 2.352 348 L HA 0.919 5.260 4.340 0.001 0.000 0.269 348 L C 0.834 177.808 176.870 0.174 0.000 1.034 348 L CA 0.112 55.034 54.840 0.137 0.000 0.806 348 L CB 1.589 43.745 42.059 0.161 0.000 1.244 348 L HN 0.679 nan 8.230 nan 0.000 0.447 349 G N 0.303 109.196 108.800 0.156 0.000 2.416 349 G HA2 0.706 4.667 3.960 0.001 0.000 0.324 349 G HA3 0.706 4.667 3.960 0.001 0.000 0.324 349 G C -1.143 173.876 174.900 0.200 0.000 1.194 349 G CA -0.361 44.839 45.100 0.166 0.000 0.922 349 G HN 0.795 nan 8.290 nan 0.000 0.467 350 A N 1.241 124.196 122.820 0.226 0.000 2.295 350 A HA 0.711 5.031 4.320 0.001 0.000 0.318 350 A C 1.122 178.760 177.584 0.090 0.000 1.134 350 A CA -0.026 52.113 52.037 0.171 0.000 0.827 350 A CB 1.604 20.765 19.000 0.270 0.000 1.136 350 A HN 1.565 nan 8.150 nan 0.000 0.493 351 V N -0.963 118.968 119.914 0.029 0.000 2.996 351 V HA 0.350 4.470 4.120 0.001 0.000 0.235 351 V C 1.373 177.491 176.094 0.040 0.000 1.205 351 V CA 1.093 63.460 62.300 0.113 0.000 1.225 351 V CB -0.690 31.241 31.823 0.181 0.000 0.995 351 V HN 1.018 nan 8.190 nan 0.000 0.484 352 G N 1.358 109.981 108.800 -0.296 0.000 3.474 352 G HA2 0.232 4.192 3.960 0.001 0.000 0.269 352 G HA3 0.232 4.192 3.960 0.001 0.000 0.269 352 G C 0.274 174.698 174.900 -0.794 0.000 1.339 352 G CA 0.219 44.721 45.100 -0.996 0.000 1.258 352 G HN 0.412 nan 8.290 nan 0.000 0.560 353 S N 1.238 116.609 115.700 -0.548 0.000 2.429 353 S HA 0.432 4.903 4.470 0.001 0.000 0.292 353 S C 0.454 174.513 174.600 -0.901 0.000 1.183 353 S CA -0.436 57.196 58.200 -0.946 0.000 1.088 353 S CB -0.151 62.505 63.200 -0.906 0.000 1.018 353 S HN 0.453 nan 8.310 nan 0.000 0.511 354 F N 0.075 119.964 119.950 -0.101 0.000 2.223 354 F HA -0.322 4.206 4.527 0.001 0.000 0.395 354 F C 1.754 177.574 175.800 0.032 0.000 0.497 354 F CA 1.172 59.163 58.000 -0.015 0.000 0.897 354 F CB -2.087 36.918 39.000 0.008 0.000 3.931 354 F HN 0.482 nan 8.300 nan 0.000 0.160 355 T N -2.988 111.760 114.554 0.323 0.000 3.535 355 T HA 0.309 4.659 4.350 0.001 0.000 0.238 355 T C -0.201 174.689 174.700 0.317 0.000 0.909 355 T CA 0.442 62.715 62.100 0.288 0.000 0.928 355 T CB -1.506 67.492 68.868 0.217 0.000 1.134 355 T HN 0.578 nan 8.240 nan 0.000 0.627 356 W N 0.190 121.495 121.300 0.008 0.000 5.271 356 W HA -0.298 4.363 4.660 0.001 0.000 0.364 356 W C 1.806 178.279 176.519 -0.077 0.000 1.342 356 W CA 0.546 57.837 57.345 -0.090 0.000 0.899 356 W CB -2.425 26.926 29.460 -0.181 0.000 2.450 356 W HN 0.544 nan 8.180 nan 0.000 1.508 357 S N -0.209 115.584 115.700 0.154 0.000 2.344 357 S HA 0.306 4.777 4.470 0.001 0.000 0.217 357 S C 1.444 176.114 174.600 0.117 0.000 1.033 357 S CA 2.536 60.831 58.200 0.159 0.000 1.017 357 S CB -0.343 63.018 63.200 0.268 0.000 0.941 357 S HN 1.351 nan 8.310 nan 0.000 0.430 358 G N -1.727 107.114 108.800 0.068 0.000 2.408 358 G HA2 0.453 4.413 3.960 0.001 0.000 0.682 358 G HA3 0.453 4.413 3.960 0.001 0.000 0.682 358 G C -0.041 174.872 174.900 0.021 0.000 1.303 358 G CA -0.491 44.639 45.100 0.051 0.000 0.966 358 G HN 1.558 nan 8.290 nan 0.000 0.560 359 G N -1.711 107.067 108.800 -0.036 0.000 2.360 359 G HA2 0.822 4.783 3.960 0.001 0.000 0.276 359 G HA3 0.822 4.783 3.960 0.001 0.000 0.276 359 G C -0.769 173.972 174.900 -0.265 0.000 1.256 359 G CA 1.183 46.078 45.100 -0.342 0.000 0.890 359 G HN 2.733 nan 8.290 nan 0.000 0.486 360 A N -1.014 121.466 122.820 -0.566 0.000 2.512 360 A HA 0.667 4.987 4.320 0.001 0.000 0.294 360 A C -1.621 175.811 177.584 -0.254 0.000 1.054 360 A CA -0.558 51.351 52.037 -0.212 0.000 0.756 360 A CB 0.668 19.563 19.000 -0.174 0.000 1.293 360 A HN 1.080 nan 8.150 nan 0.000 0.395 361 F N 2.405 122.392 119.950 0.062 0.000 2.404 361 F HA 0.391 4.919 4.527 0.001 0.000 0.359 361 F C 0.531 176.135 175.800 -0.328 0.000 1.134 361 F CA -0.051 57.905 58.000 -0.074 0.000 1.160 361 F CB 1.141 40.034 39.000 -0.178 0.000 1.186 361 F HN 0.587 nan 8.300 nan 0.000 0.526 362 L N 5.262 126.371 121.223 -0.190 0.000 2.331 362 L HA 0.330 4.671 4.340 0.001 0.000 0.278 362 L C -1.252 175.434 176.870 -0.307 0.000 1.106 362 L CA -0.426 54.321 54.840 -0.156 0.000 0.824 362 L CB 0.402 42.422 42.059 -0.066 0.000 1.142 362 L HN 0.464 nan 8.230 nan 0.000 0.443 363 Y N 5.615 125.938 120.300 0.037 0.000 2.334 363 Y HA 0.451 5.001 4.550 0.001 0.000 0.336 363 Y C -2.106 173.809 175.900 0.026 0.000 0.960 363 Y CA -2.251 55.863 58.100 0.022 0.000 1.164 363 Y CB 0.911 39.367 38.460 -0.007 0.000 1.155 363 Y HN 0.557 nan 8.280 nan 0.000 0.478 364 P HA 0.112 nan 4.420 nan 0.000 0.312 364 P C -2.429 174.936 177.300 0.109 0.000 1.307 364 P CA -1.275 61.894 63.100 0.114 0.000 0.738 364 P CB -0.018 31.732 31.700 0.084 0.000 1.422 365 P HA 0.067 nan 4.420 nan 0.000 0.247 365 P C -0.083 177.251 177.300 0.056 0.000 1.756 365 P CA 0.253 63.394 63.100 0.068 0.000 1.117 365 P CB -0.725 31.011 31.700 0.060 0.000 1.869 366 N N 0.095 118.829 118.700 0.056 0.000 2.961 366 N HA -0.170 4.571 4.740 0.001 0.000 0.223 366 N C 0.207 175.743 175.510 0.044 0.000 0.866 366 N CA 0.893 53.968 53.050 0.042 0.000 1.030 366 N CB -1.156 37.349 38.487 0.030 0.000 1.037 366 N HN 0.449 nan 8.380 nan 0.000 0.608 367 M N 1.827 121.457 119.600 0.050 0.000 2.245 367 M HA 0.126 4.606 4.480 0.001 0.000 0.330 367 M C 0.626 176.955 176.300 0.047 0.000 1.098 367 M CA 0.015 55.340 55.300 0.041 0.000 1.172 367 M CB 0.678 33.302 32.600 0.041 0.000 1.467 367 M HN 0.277 nan 8.290 nan 0.000 0.454 368 S N 4.808 120.524 115.700 0.027 0.000 2.552 368 S HA 0.316 4.786 4.470 0.001 0.000 0.289 368 S C -2.387 172.216 174.600 0.005 0.000 1.304 368 S CA -1.140 57.073 58.200 0.021 0.000 1.063 368 S CB -0.359 62.840 63.200 -0.001 0.000 0.848 368 S HN 0.603 nan 8.310 nan 0.000 0.499 369 P HA 0.254 nan 4.420 nan 0.000 0.274 369 P C 0.281 177.513 177.300 -0.113 0.000 1.246 369 P CA -0.351 62.694 63.100 -0.091 0.000 0.795 369 P CB 0.617 32.155 31.700 -0.270 0.000 1.006 370 T N -1.985 112.470 114.554 -0.165 0.000 2.844 370 T HA 0.757 5.108 4.350 0.001 0.000 0.274 370 T C -1.014 173.596 174.700 -0.150 0.000 0.991 370 T CA -0.606 61.372 62.100 -0.203 0.000 0.983 370 T CB 1.099 69.743 68.868 -0.373 0.000 1.310 370 T HN 0.390 nan 8.240 nan 0.000 0.596 371 F N 0.140 119.825 119.950 -0.441 0.000 2.688 371 F HA 0.604 5.132 4.527 0.001 0.000 0.308 371 F C -2.097 173.410 175.800 -0.489 0.000 1.117 371 F CA -1.474 56.166 58.000 -0.600 0.000 0.976 371 F CB 1.516 39.992 39.000 -0.874 0.000 1.291 371 F HN 0.808 nan 8.300 nan 0.000 0.439 372 I N 3.613 123.297 120.570 -1.478 0.000 2.493 372 I HA 0.520 4.690 4.170 0.001 0.000 0.279 372 I C -1.136 174.184 176.117 -1.329 0.000 1.045 372 I CA -0.615 60.017 61.300 -1.114 0.000 1.106 372 I CB 1.201 38.705 38.000 -0.828 0.000 1.216 372 I HN 0.610 nan 8.210 nan 0.000 0.459 373 N N 6.034 124.233 118.700 -0.835 0.000 2.669 373 N HA 0.473 5.213 4.740 0.001 0.000 0.306 373 N C 0.107 175.496 175.510 -0.202 0.000 1.352 373 N CA -0.611 52.235 53.050 -0.339 0.000 0.886 373 N CB 0.371 39.029 38.487 0.286 0.000 1.107 373 N HN 0.527 nan 8.380 nan 0.000 0.534 374 M N 0.240 119.843 119.600 0.005 0.000 2.778 374 M HA 0.227 4.707 4.480 0.001 0.000 0.359 374 M C -0.252 176.070 176.300 0.036 0.000 1.216 374 M CA -0.063 55.275 55.300 0.063 0.000 0.935 374 M CB -1.366 31.313 32.600 0.132 0.000 1.330 374 M HN 0.922 nan 8.290 nan 0.000 0.516 375 S N 0.226 115.919 115.700 -0.010 0.000 3.538 375 S HA -0.293 4.177 4.470 0.001 0.000 0.640 375 S C 0.498 175.058 174.600 -0.066 0.000 2.388 375 S CA 1.226 59.398 58.200 -0.047 0.000 2.560 375 S CB -0.252 62.935 63.200 -0.022 0.000 0.328 375 S HN 0.666 nan 8.310 nan 0.000 1.791 376 Q N -0.046 119.699 119.800 -0.092 0.000 2.396 376 Q HA 0.152 4.493 4.340 0.001 0.000 0.220 376 Q C 1.986 177.966 176.000 -0.034 0.000 0.900 376 Q CA 0.496 56.247 55.803 -0.086 0.000 0.925 376 Q CB -0.092 28.567 28.738 -0.130 0.000 1.065 376 Q HN 0.788 nan 8.270 nan 0.000 0.535 377 E N 0.910 121.095 120.200 -0.025 0.000 2.333 377 E HA -0.178 4.172 4.350 0.001 0.000 0.200 377 E C 0.158 176.766 176.600 0.013 0.000 1.010 377 E CA 0.428 56.825 56.400 -0.005 0.000 0.841 377 E CB -0.117 29.583 29.700 -0.000 0.000 0.757 377 E HN 0.143 nan 8.360 nan 0.000 0.508 378 N N 0.624 119.337 118.700 0.022 0.000 2.605 378 N HA -0.035 4.705 4.740 0.001 0.000 0.258 378 N C 0.940 176.479 175.510 0.049 0.000 1.156 378 N CA -0.106 52.971 53.050 0.047 0.000 1.008 378 N CB 0.803 39.330 38.487 0.065 0.000 1.354 378 N HN -0.047 nan 8.380 nan 0.000 0.509 379 V N -0.011 119.926 119.914 0.040 0.000 2.332 379 V HA -0.212 3.909 4.120 0.001 0.000 0.248 379 V C 1.032 177.146 176.094 0.034 0.000 1.055 379 V CA 1.624 63.942 62.300 0.030 0.000 1.038 379 V CB -0.926 30.910 31.823 0.022 0.000 0.651 379 V HN 0.601 nan 8.190 nan 0.000 0.450 380 D N -0.233 120.196 120.400 0.049 0.000 2.315 380 D HA 0.133 4.774 4.640 0.001 0.000 0.275 380 D C 1.056 177.387 176.300 0.053 0.000 1.218 380 D CA -0.053 53.959 54.000 0.020 0.000 1.040 380 D CB -0.097 40.723 40.800 0.034 0.000 1.123 380 D HN 0.307 nan 8.370 nan 0.000 0.541 381 M N -2.726 116.891 119.600 0.029 0.000 2.872 381 M HA -0.219 4.261 4.480 0.001 0.000 0.200 381 M C -1.046 175.276 176.300 0.037 0.000 0.582 381 M CA 0.485 55.857 55.300 0.121 0.000 0.706 381 M CB -0.913 31.813 32.600 0.210 0.000 2.560 381 M HN 0.382 nan 8.290 nan 0.000 0.476 382 R N 1.899 122.377 120.500 -0.037 0.000 2.316 382 R HA 0.198 4.539 4.340 0.001 0.000 0.314 382 R C -0.079 176.147 176.300 -0.124 0.000 1.069 382 R CA 0.123 56.208 56.100 -0.026 0.000 0.959 382 R CB 0.259 30.546 30.300 -0.021 0.000 0.987 382 R HN 0.342 nan 8.270 nan 0.000 0.446 383 D N 1.856 122.196 120.400 -0.101 0.000 3.133 383 D HA -0.119 4.522 4.640 0.001 0.000 0.239 383 D C 0.125 176.177 176.300 -0.413 0.000 1.136 383 D CA 1.484 55.297 54.000 -0.312 0.000 0.898 383 D CB -0.889 39.692 40.800 -0.365 0.000 0.959 383 D HN 0.724 nan 8.370 nan 0.000 0.415 384 S N -0.739 114.777 115.700 -0.307 0.000 2.728 384 S HA 0.097 4.567 4.470 0.001 0.000 0.257 384 S C 0.630 175.198 174.600 -0.054 0.000 1.060 384 S CA -0.306 57.783 58.200 -0.184 0.000 1.126 384 S CB 0.233 63.439 63.200 0.010 0.000 1.099 384 S HN 0.286 nan 8.310 nan 0.000 0.617 385 Y N 0.649 120.992 120.300 0.072 0.000 3.589 385 Y HA -0.163 4.388 4.550 0.001 0.000 0.218 385 Y C 0.245 176.212 175.900 0.112 0.000 1.234 385 Y CA -0.102 58.061 58.100 0.104 0.000 1.576 385 Y CB -2.513 36.011 38.460 0.108 0.000 1.487 385 Y HN 0.519 nan 8.280 nan 0.000 0.616 386 L N 1.253 122.592 121.223 0.194 0.000 2.745 386 L HA 0.367 4.708 4.340 0.001 0.000 0.273 386 L C 1.205 178.170 176.870 0.159 0.000 1.156 386 L CA 1.686 56.623 54.840 0.163 0.000 0.982 386 L CB -0.062 42.076 42.059 0.133 0.000 1.295 386 L HN 0.655 nan 8.230 nan 0.000 0.483 387 G N 3.197 112.109 108.800 0.186 0.000 2.159 387 G HA2 -0.338 3.622 3.960 0.001 0.000 0.170 387 G HA3 -0.338 3.622 3.960 0.001 0.000 0.170 387 G C 0.510 175.567 174.900 0.261 0.000 1.007 387 G CA 0.215 45.420 45.100 0.174 0.000 0.672 387 G HN 0.728 nan 8.290 nan 0.000 0.507 388 Y N 2.312 122.725 120.300 0.189 0.000 2.165 388 Y HA 0.120 4.670 4.550 0.001 0.000 0.286 388 Y C 1.672 177.811 175.900 0.398 0.000 1.155 388 Y CA 2.417 60.695 58.100 0.297 0.000 1.164 388 Y CB 0.156 38.747 38.460 0.218 0.000 0.978 388 Y HN 0.664 nan 8.280 nan 0.000 0.513 389 S N -0.678 115.263 115.700 0.401 0.000 2.542 389 S HA 0.677 5.147 4.470 0.001 0.000 0.293 389 S C -0.576 174.110 174.600 0.143 0.000 1.089 389 S CA -0.200 58.138 58.200 0.230 0.000 0.961 389 S CB 2.178 65.518 63.200 0.232 0.000 1.062 389 S HN 0.326 nan 8.310 nan 0.000 0.483 390 T N -1.105 113.503 114.554 0.090 0.000 2.912 390 T HA 0.810 5.160 4.350 0.001 0.000 0.299 390 T C -1.131 173.599 174.700 0.050 0.000 1.052 390 T CA -0.496 61.645 62.100 0.067 0.000 0.996 390 T CB 1.864 70.769 68.868 0.061 0.000 1.070 390 T HN 0.778 nan 8.240 nan 0.000 0.465 391 E N 1.041 121.266 120.200 0.042 0.000 2.392 391 E HA 0.639 4.989 4.350 0.001 0.000 0.279 391 E C -1.707 174.915 176.600 0.037 0.000 0.964 391 E CA -0.862 55.562 56.400 0.041 0.000 0.777 391 E CB 1.823 31.540 29.700 0.028 0.000 1.249 391 E HN 0.677 nan 8.360 nan 0.000 0.449 392 L N 1.942 123.195 121.223 0.051 0.000 2.469 392 L HA 0.842 5.182 4.340 0.001 0.000 0.253 392 L C -0.331 176.560 176.870 0.035 0.000 1.143 392 L CA 0.426 55.297 54.840 0.051 0.000 0.804 392 L CB 1.422 43.526 42.059 0.076 0.000 1.214 392 L HN 0.675 nan 8.230 nan 0.000 0.476 393 A N 3.116 125.959 122.820 0.037 0.000 3.214 393 A HA 0.278 4.599 4.320 0.001 0.000 0.203 393 A C -0.400 177.233 177.584 0.082 0.000 0.960 393 A CA -0.466 51.593 52.037 0.036 0.000 1.113 393 A CB -0.671 18.317 19.000 -0.020 0.000 1.280 393 A HN 0.679 nan 8.150 nan 0.000 0.573 394 L N 0.258 121.541 121.223 0.100 0.000 2.581 394 L HA 0.219 4.559 4.340 0.001 0.000 0.299 394 L C -0.068 176.943 176.870 0.234 0.000 1.261 394 L CA 0.909 55.828 54.840 0.132 0.000 0.866 394 L CB 0.332 42.447 42.059 0.093 0.000 1.113 394 L HN 0.635 nan 8.230 nan 0.000 0.514 395 W N 4.150 125.451 121.300 0.002 0.000 3.075 395 W HA 0.269 4.930 4.660 0.001 0.000 0.334 395 W C 0.592 177.112 176.519 0.002 0.000 1.243 395 W CA -0.917 56.429 57.345 0.002 0.000 1.170 395 W CB 1.099 30.560 29.460 0.001 0.000 1.452 395 W HN 0.577 nan 8.180 nan 0.000 0.572 396 K N 0.920 120.745 120.400 -0.958 0.000 2.228 396 K HA -0.108 4.213 4.320 0.001 0.000 0.205 396 K C 1.038 177.286 176.600 -0.587 0.000 1.045 396 K CA 2.127 57.916 56.287 -0.829 0.000 0.931 396 K CB -0.449 31.399 32.500 -1.085 0.000 0.727 396 K HN 0.595 nan 8.250 nan 0.000 0.458 397 G N 0.111 108.615 108.800 -0.494 0.000 3.329 397 G HA2 0.258 4.218 3.960 0.001 0.000 0.180 397 G HA3 0.258 4.218 3.960 0.001 0.000 0.180 397 G C -0.109 174.868 174.900 0.130 0.000 1.640 397 G CA 0.089 45.185 45.100 -0.005 0.000 1.018 397 G HN 0.160 nan 8.290 nan 0.000 0.581 398 V N -1.457 118.589 119.914 0.220 0.000 3.036 398 V HA 0.576 4.697 4.120 0.001 0.000 0.308 398 V C -0.011 176.170 176.094 0.144 0.000 1.070 398 V CA -0.900 61.475 62.300 0.125 0.000 1.056 398 V CB 1.015 32.877 31.823 0.064 0.000 1.084 398 V HN 0.555 nan 8.190 nan 0.000 0.471 399 Q N 1.180 121.028 119.800 0.080 0.000 2.584 399 Q HA 0.583 4.924 4.340 0.001 0.000 0.218 399 Q C -0.248 175.771 176.000 0.033 0.000 1.079 399 Q CA 0.197 56.044 55.803 0.072 0.000 1.008 399 Q CB 0.713 29.486 28.738 0.058 0.000 1.267 399 Q HN 0.965 nan 8.270 nan 0.000 0.586 400 S N -0.104 115.605 115.700 0.015 0.000 2.566 400 S HA 0.475 4.946 4.470 0.001 0.000 0.273 400 S C -1.110 173.473 174.600 -0.028 0.000 1.157 400 S CA -0.737 57.437 58.200 -0.042 0.000 0.938 400 S CB 0.728 63.867 63.200 -0.102 0.000 1.087 400 S HN 0.372 nan 8.310 nan 0.000 0.474 401 L N 2.198 123.414 121.223 -0.012 0.000 2.400 401 L HA 0.810 5.151 4.340 0.001 0.000 0.264 401 L C -0.756 176.119 176.870 0.008 0.000 1.061 401 L CA -0.863 53.988 54.840 0.019 0.000 0.799 401 L CB 1.256 43.339 42.059 0.041 0.000 1.240 401 L HN 0.358 nan 8.230 nan 0.000 0.461 402 V N 2.012 121.940 119.914 0.023 0.000 2.851 402 V HA 0.454 4.574 4.120 0.001 0.000 0.307 402 V C -0.603 175.520 176.094 0.050 0.000 1.129 402 V CA -0.520 61.775 62.300 -0.010 0.000 0.932 402 V CB 2.216 33.992 31.823 -0.079 0.000 1.024 402 V HN 0.473 nan 8.190 nan 0.000 0.426 403 L N 2.837 124.106 121.223 0.077 0.000 2.354 403 L HA 0.896 5.236 4.340 0.001 0.000 0.269 403 L C 0.493 177.403 176.870 0.068 0.000 1.005 403 L CA -0.703 54.200 54.840 0.106 0.000 0.819 403 L CB 2.189 44.352 42.059 0.173 0.000 1.311 403 L HN 0.771 nan 8.230 nan 0.000 0.423 404 G N 0.810 109.671 108.800 0.101 0.000 2.335 404 G HA2 0.610 4.570 3.960 0.001 0.000 0.316 404 G HA3 0.610 4.570 3.960 0.001 0.000 0.316 404 G C -0.606 174.355 174.900 0.102 0.000 1.129 404 G CA -0.345 44.797 45.100 0.069 0.000 0.899 404 G HN 0.711 nan 8.290 nan 0.000 0.448 405 A N 4.716 127.560 122.820 0.039 0.000 2.786 405 A HA 0.662 4.983 4.320 0.001 0.000 0.346 405 A C -1.517 176.038 177.584 -0.049 0.000 1.265 405 A CA -1.378 50.688 52.037 0.048 0.000 0.858 405 A CB 1.325 20.374 19.000 0.081 0.000 1.118 405 A HN 0.400 nan 8.150 nan 0.000 0.482 406 P HA -0.143 nan 4.420 nan 0.000 0.218 406 P C 0.517 177.572 177.300 -0.408 0.000 1.146 406 P CA 1.307 64.035 63.100 -0.620 0.000 0.813 406 P CB 0.142 30.977 31.700 -1.441 0.000 0.778 407 R N -2.342 118.034 120.500 -0.206 0.000 2.772 407 R HA 0.194 4.535 4.340 0.001 0.000 0.358 407 R C -0.578 175.632 176.300 -0.151 0.000 1.143 407 R CA -0.582 55.411 56.100 -0.179 0.000 1.153 407 R CB -0.230 29.935 30.300 -0.224 0.000 1.329 407 R HN 0.120 nan 8.270 nan 0.000 0.615 408 Y N 2.290 122.507 120.300 -0.137 0.000 2.531 408 Y HA -0.035 4.516 4.550 0.001 0.000 0.347 408 Y C 0.497 176.349 175.900 -0.081 0.000 1.024 408 Y CA 0.449 58.489 58.100 -0.100 0.000 1.306 408 Y CB 0.214 38.652 38.460 -0.037 0.000 1.149 408 Y HN 0.392 nan 8.280 nan 0.000 0.527 409 Q N 5.757 125.218 119.800 -0.564 0.000 2.494 409 Q HA -0.351 3.990 4.340 0.001 0.000 0.266 409 Q C 0.085 176.079 176.000 -0.009 0.000 1.053 409 Q CA 1.143 56.754 55.803 -0.321 0.000 1.029 409 Q CB -1.597 26.943 28.738 -0.330 0.000 1.423 409 Q HN 1.130 nan 8.270 nan 0.000 0.516 410 H N -4.176 114.839 119.070 -0.092 0.000 3.641 410 H HA -0.218 4.338 4.556 0.001 0.000 0.193 410 H C 1.388 176.718 175.328 0.004 0.000 1.013 410 H CA 1.838 57.860 56.048 -0.044 0.000 1.212 410 H CB -1.798 27.941 29.762 -0.039 0.000 1.089 410 H HN 0.744 nan 8.280 nan 0.000 0.339 411 T N -2.381 112.238 114.554 0.109 0.000 3.053 411 T HA 0.476 4.827 4.350 0.001 0.000 0.236 411 T C 1.204 175.968 174.700 0.106 0.000 0.996 411 T CA 0.933 63.103 62.100 0.116 0.000 1.185 411 T CB 1.458 70.392 68.868 0.110 0.000 0.892 411 T HN 1.072 nan 8.240 nan 0.000 0.432 412 G N 1.179 110.061 108.800 0.137 0.000 2.952 412 G HA2 0.292 4.253 3.960 0.001 0.000 0.431 412 G HA3 0.292 4.253 3.960 0.001 0.000 0.431 412 G C -1.121 173.943 174.900 0.272 0.000 1.325 412 G CA -0.515 44.671 45.100 0.145 0.000 1.146 412 G HN 0.624 nan 8.290 nan 0.000 0.581 413 K N 1.080 121.597 120.400 0.196 0.000 2.340 413 K HA 0.914 5.235 4.320 0.001 0.000 0.244 413 K C -0.136 176.530 176.600 0.109 0.000 0.973 413 K CA -0.402 55.965 56.287 0.135 0.000 0.828 413 K CB 2.156 34.493 32.500 -0.272 0.000 1.226 413 K HN 1.447 nan 8.250 nan 0.000 0.437 414 A N 2.411 125.320 122.820 0.147 0.000 2.343 414 A HA 0.614 4.935 4.320 0.001 0.000 0.316 414 A C -1.369 176.163 177.584 -0.087 0.000 1.104 414 A CA -0.693 51.360 52.037 0.027 0.000 0.768 414 A CB 1.377 20.401 19.000 0.040 0.000 1.213 414 A HN 0.380 nan 8.150 nan 0.000 0.456 415 V N 3.499 123.290 119.914 -0.206 0.000 2.604 415 V HA 0.489 4.610 4.120 0.001 0.000 0.305 415 V C -0.355 175.360 176.094 -0.633 0.000 1.043 415 V CA -0.326 61.703 62.300 -0.453 0.000 0.888 415 V CB 1.650 33.177 31.823 -0.492 0.000 0.995 415 V HN 0.770 nan 8.190 nan 0.000 0.429 416 I N 4.004 124.063 120.570 -0.852 0.000 2.441 416 I HA 0.544 4.715 4.170 0.001 0.000 0.295 416 I C -1.018 174.545 176.117 -0.923 0.000 0.994 416 I CA -0.236 60.598 61.300 -0.777 0.000 1.144 416 I CB 1.587 39.080 38.000 -0.845 0.000 1.314 416 I HN 0.414 nan 8.210 nan 0.000 0.445 417 F N 2.701 122.442 119.950 -0.347 0.000 2.508 417 F HA 0.522 5.049 4.527 0.001 0.000 0.325 417 F C 0.516 176.110 175.800 -0.344 0.000 1.090 417 F CA -0.665 57.133 58.000 -0.337 0.000 0.945 417 F CB 2.186 41.046 39.000 -0.234 0.000 1.156 417 F HN 0.279 nan 8.300 nan 0.000 0.463 418 T N 1.076 115.490 114.554 -0.234 0.000 2.940 418 T HA 0.386 4.737 4.350 0.001 0.000 0.288 418 T C -0.793 173.766 174.700 -0.235 0.000 1.033 418 T CA -0.520 61.423 62.100 -0.262 0.000 1.033 418 T CB 1.173 69.796 68.868 -0.408 0.000 1.079 418 T HN 0.670 nan 8.240 nan 0.000 0.496 419 Q N 2.828 122.438 119.800 -0.316 0.000 2.851 419 Q HA 0.359 4.700 4.340 0.001 0.000 0.331 419 Q C -0.502 175.022 176.000 -0.794 0.000 0.979 419 Q CA -0.492 54.853 55.803 -0.762 0.000 0.955 419 Q CB 1.216 29.526 28.738 -0.712 0.000 1.298 419 Q HN 0.463 nan 8.270 nan 0.000 0.432 420 V N 1.065 120.683 119.914 -0.492 0.000 2.963 420 V HA -0.027 4.093 4.120 0.001 0.000 0.306 420 V C 0.923 176.720 176.094 -0.495 0.000 1.077 420 V CA 0.001 62.125 62.300 -0.294 0.000 1.124 420 V CB 1.565 33.395 31.823 0.011 0.000 0.987 420 V HN 0.599 nan 8.190 nan 0.000 0.487 421 S N 4.659 120.191 115.700 -0.281 0.000 2.811 421 S HA 0.017 4.487 4.470 0.001 0.000 0.325 421 S C 0.872 175.441 174.600 -0.053 0.000 1.224 421 S CA 0.112 58.199 58.200 -0.188 0.000 1.125 421 S CB -0.877 62.290 63.200 -0.055 0.000 0.867 421 S HN 0.774 nan 8.310 nan 0.000 0.512 422 R N 2.716 123.295 120.500 0.133 0.000 3.336 422 R HA -0.159 4.182 4.340 0.001 0.000 0.260 422 R C 0.195 176.677 176.300 0.304 0.000 1.032 422 R CA 0.810 57.146 56.100 0.393 0.000 0.693 422 R CB -1.537 28.890 30.300 0.212 0.000 1.134 422 R HN 0.721 nan 8.270 nan 0.000 0.433 423 Q N -1.452 118.556 119.800 0.346 0.000 1.958 423 Q HA 0.051 4.391 4.340 0.001 0.000 0.154 423 Q C 0.264 176.508 176.000 0.408 0.000 0.549 423 Q CA 0.268 56.228 55.803 0.261 0.000 0.824 423 Q CB 0.160 28.964 28.738 0.110 0.000 1.031 423 Q HN 0.451 nan 8.270 nan 0.000 0.312 424 W N 2.872 124.172 121.300 -0.001 0.000 5.563 424 W HA -0.227 4.434 4.660 0.000 0.000 0.396 424 W C 0.102 176.582 176.519 -0.064 0.000 1.519 424 W CA 0.543 57.855 57.345 -0.055 0.000 0.953 424 W CB -1.346 28.059 29.460 -0.091 0.000 2.691 424 W HN 0.188 nan 8.180 nan 0.000 1.444 425 R N 0.022 120.556 120.500 0.057 0.000 2.603 425 R HA 0.639 4.980 4.340 0.001 0.000 0.231 425 R C 0.632 176.887 176.300 -0.075 0.000 1.263 425 R CA -1.076 55.034 56.100 0.016 0.000 1.102 425 R CB 0.647 30.958 30.300 0.019 0.000 1.527 425 R HN 0.080 nan 8.270 nan 0.000 0.554 426 M N 1.345 120.869 119.600 -0.126 0.000 2.233 426 M HA 0.133 4.613 4.480 0.001 0.000 0.355 426 M C 0.148 176.059 176.300 -0.649 0.000 1.191 426 M CA 0.119 55.224 55.300 -0.325 0.000 1.101 426 M CB 1.079 33.515 32.600 -0.274 0.000 1.592 426 M HN 0.415 nan 8.290 nan 0.000 0.461 427 K N 3.220 123.117 120.400 -0.838 0.000 1.995 427 K HA 0.325 4.646 4.320 0.001 0.000 0.207 427 K C 0.420 176.673 176.600 -0.579 0.000 1.041 427 K CA 0.991 56.663 56.287 -1.024 0.000 0.942 427 K CB 0.077 32.010 32.500 -0.945 0.000 0.731 427 K HN 0.790 nan 8.250 nan 0.000 0.439 428 A N 0.664 123.136 122.820 -0.580 0.000 2.483 428 A HA 0.461 4.782 4.320 0.001 0.000 0.306 428 A C -1.752 175.573 177.584 -0.432 0.000 1.137 428 A CA -0.812 51.004 52.037 -0.368 0.000 0.626 428 A CB 1.106 19.998 19.000 -0.180 0.000 1.352 428 A HN 0.291 nan 8.150 nan 0.000 0.508 429 E N -1.649 118.453 120.200 -0.164 0.000 2.422 429 E HA 0.576 4.927 4.350 0.001 0.000 0.280 429 E C -1.435 175.259 176.600 0.158 0.000 1.091 429 E CA -0.736 55.604 56.400 -0.100 0.000 0.849 429 E CB 1.515 31.085 29.700 -0.216 0.000 1.353 429 E HN 1.864 nan 8.360 nan 0.000 0.449 430 V N -1.702 118.308 119.914 0.160 0.000 2.711 430 V HA 0.586 4.706 4.120 0.001 0.000 0.304 430 V C 0.187 176.273 176.094 -0.013 0.000 1.097 430 V CA -0.235 62.132 62.300 0.112 0.000 0.906 430 V CB 0.765 32.693 31.823 0.175 0.000 1.015 430 V HN 0.976 nan 8.190 nan 0.000 0.427 431 T N 2.379 116.868 114.554 -0.108 0.000 2.680 431 T HA 0.542 4.892 4.350 0.001 0.000 0.314 431 T C 0.868 175.403 174.700 -0.276 0.000 1.045 431 T CA 0.402 62.420 62.100 -0.136 0.000 1.025 431 T CB 0.646 69.476 68.868 -0.063 0.000 1.000 431 T HN 1.696 nan 8.240 nan 0.000 0.535 432 G N -1.141 107.537 108.800 -0.203 0.000 2.588 432 G HA2 0.410 4.371 3.960 0.001 0.000 0.281 432 G HA3 0.410 4.371 3.960 0.001 0.000 0.281 432 G C 0.791 175.455 174.900 -0.393 0.000 1.236 432 G CA 0.019 44.876 45.100 -0.405 0.000 0.969 432 G HN 0.866 nan 8.290 nan 0.000 0.504 433 T N -2.075 112.217 114.554 -0.438 0.000 3.039 433 T HA 0.176 4.527 4.350 0.001 0.000 0.250 433 T C 0.752 175.391 174.700 -0.101 0.000 1.052 433 T CA 0.996 62.909 62.100 -0.311 0.000 1.125 433 T CB -0.238 68.353 68.868 -0.461 0.000 0.908 433 T HN 0.568 nan 8.240 nan 0.000 0.473 434 Q N 0.185 119.968 119.800 -0.027 0.000 2.456 434 Q HA 0.460 4.800 4.340 0.001 0.000 0.284 434 Q C -1.435 174.632 176.000 0.113 0.000 1.061 434 Q CA -0.868 54.998 55.803 0.106 0.000 0.799 434 Q CB 2.044 30.968 28.738 0.309 0.000 1.445 434 Q HN 0.416 nan 8.270 nan 0.000 0.411 435 I N 2.580 123.209 120.570 0.098 0.000 2.533 435 I HA 0.257 4.427 4.170 0.001 0.000 0.284 435 I C 0.973 177.183 176.117 0.156 0.000 1.109 435 I CA 1.937 63.303 61.300 0.110 0.000 1.412 435 I CB 0.125 38.169 38.000 0.075 0.000 1.396 435 I HN 1.035 nan 8.210 nan 0.000 0.543 436 G N 4.115 113.024 108.800 0.181 0.000 2.234 436 G HA2 -0.398 3.563 3.960 0.001 0.000 0.260 436 G HA3 -0.398 3.563 3.960 0.001 0.000 0.260 436 G C 1.070 176.167 174.900 0.329 0.000 0.987 436 G CA 0.789 46.029 45.100 0.233 0.000 0.625 436 G HN 0.917 nan 8.290 nan 0.000 0.532 437 S N -1.043 114.852 115.700 0.325 0.000 2.407 437 S HA -0.171 4.299 4.470 0.001 0.000 0.235 437 S C 1.240 176.095 174.600 0.424 0.000 1.036 437 S CA 1.841 60.285 58.200 0.407 0.000 1.013 437 S CB -0.321 63.057 63.200 0.297 0.000 0.820 437 S HN 1.864 nan 8.310 nan 0.000 0.476 438 Y N -0.600 119.815 120.300 0.192 0.000 3.457 438 Y HA -0.215 4.335 4.550 0.001 0.000 0.215 438 Y C -0.175 175.778 175.900 0.089 0.000 1.435 438 Y CA -0.028 58.153 58.100 0.134 0.000 1.569 438 Y CB -2.069 36.491 38.460 0.167 0.000 1.518 438 Y HN 0.474 nan 8.280 nan 0.000 0.580 439 F N 1.659 121.613 119.950 0.008 0.000 2.490 439 F HA 0.455 4.983 4.527 0.001 0.000 0.357 439 F C 1.046 176.816 175.800 -0.050 0.000 1.166 439 F CA 1.498 59.475 58.000 -0.038 0.000 1.116 439 F CB 0.297 39.243 39.000 -0.089 0.000 1.171 439 F HN 0.340 nan 8.300 nan 0.000 0.576 440 G N 3.179 111.733 108.800 -0.410 0.000 3.272 440 G HA2 -0.074 3.887 3.960 0.001 0.000 0.219 440 G HA3 -0.074 3.887 3.960 0.001 0.000 0.219 440 G C 0.986 175.823 174.900 -0.106 0.000 0.952 440 G CA 0.058 44.982 45.100 -0.293 0.000 0.833 440 G HN 0.977 nan 8.290 nan 0.000 0.608 441 A N 0.779 123.602 122.820 0.005 0.000 1.848 441 A HA 0.317 4.638 4.320 0.001 0.000 0.217 441 A C 1.575 179.230 177.584 0.118 0.000 1.220 441 A CA 2.366 54.492 52.037 0.148 0.000 0.645 441 A CB -0.643 18.447 19.000 0.150 0.000 0.842 441 A HN 1.037 nan 8.150 nan 0.000 0.451 442 S N -1.470 114.226 115.700 -0.006 0.000 2.537 442 S HA 0.701 5.172 4.470 0.001 0.000 0.301 442 S C -0.994 173.565 174.600 -0.068 0.000 1.092 442 S CA -0.394 57.795 58.200 -0.018 0.000 1.048 442 S CB 1.467 64.628 63.200 -0.065 0.000 1.053 442 S HN 0.317 nan 8.310 nan 0.000 0.501 443 L N 1.526 122.728 121.223 -0.035 0.000 2.455 443 L HA 0.602 4.942 4.340 0.001 0.000 0.264 443 L C -1.131 175.726 176.870 -0.022 0.000 0.968 443 L CA -0.269 54.545 54.840 -0.044 0.000 0.827 443 L CB 2.073 44.113 42.059 -0.031 0.000 1.317 443 L HN 0.827 nan 8.230 nan 0.000 0.407 444 C N 2.256 121.542 119.300 -0.024 0.000 2.522 444 C HA 0.658 5.119 4.460 0.001 0.000 0.344 444 C C -0.027 174.967 174.990 0.005 0.000 1.104 444 C CA -0.701 58.313 59.018 -0.007 0.000 1.317 444 C CB 0.459 28.189 27.740 -0.018 0.000 1.896 444 C HN 0.864 nan 8.230 nan 0.000 0.443 445 S N 4.850 120.561 115.700 0.019 0.000 2.455 445 S HA 0.568 5.038 4.470 0.001 0.000 0.278 445 S C -0.309 174.312 174.600 0.035 0.000 1.216 445 S CA -0.414 57.803 58.200 0.029 0.000 1.055 445 S CB 1.163 64.383 63.200 0.033 0.000 0.939 445 S HN 1.058 nan 8.310 nan 0.000 0.494 446 V N 2.011 121.947 119.914 0.037 0.000 3.046 446 V HA 0.545 4.666 4.120 0.001 0.000 0.316 446 V C -1.227 174.899 176.094 0.053 0.000 1.104 446 V CA -0.887 61.438 62.300 0.042 0.000 1.006 446 V CB 2.188 34.032 31.823 0.035 0.000 1.058 446 V HN 1.011 nan 8.190 nan 0.000 0.440 447 D N 3.338 123.772 120.400 0.057 0.000 2.458 447 D HA 0.146 4.786 4.640 0.001 0.000 0.258 447 D C 0.838 177.179 176.300 0.069 0.000 1.134 447 D CA 0.025 54.064 54.000 0.065 0.000 0.915 447 D CB 1.536 42.372 40.800 0.060 0.000 1.028 447 D HN 0.344 nan 8.370 nan 0.000 0.508 448 V N 3.594 123.551 119.914 0.072 0.000 2.363 448 V HA -0.292 3.828 4.120 0.001 0.000 0.254 448 V C 0.848 176.991 176.094 0.081 0.000 1.074 448 V CA 2.864 65.212 62.300 0.080 0.000 1.069 448 V CB -0.056 31.814 31.823 0.079 0.000 0.659 448 V HN 0.679 nan 8.190 nan 0.000 0.455 449 D N -1.743 118.701 120.400 0.074 0.000 2.540 449 D HA 0.262 4.902 4.640 0.001 0.000 0.229 449 D C 0.620 176.957 176.300 0.062 0.000 1.258 449 D CA 0.471 54.513 54.000 0.069 0.000 1.158 449 D CB 0.557 41.396 40.800 0.065 0.000 1.178 449 D HN 0.134 nan 8.370 nan 0.000 0.541 450 S N -1.123 114.609 115.700 0.053 0.000 3.101 450 S HA 0.102 4.573 4.470 0.001 0.000 0.252 450 S C -0.092 174.528 174.600 0.033 0.000 0.920 450 S CA -0.153 58.073 58.200 0.043 0.000 1.158 450 S CB 0.060 63.285 63.200 0.041 0.000 1.125 450 S HN 0.526 nan 8.310 nan 0.000 0.608 451 D N 1.480 121.901 120.400 0.035 0.000 2.378 451 D HA 0.133 4.773 4.640 0.001 0.000 0.227 451 D C 1.531 177.837 176.300 0.010 0.000 1.012 451 D CA 1.080 55.092 54.000 0.021 0.000 0.905 451 D CB -0.525 40.291 40.800 0.026 0.000 0.895 451 D HN 0.468 nan 8.370 nan 0.000 0.532 452 G N -0.541 108.274 108.800 0.024 0.000 2.253 452 G HA2 -0.272 3.688 3.960 0.001 0.000 0.251 452 G HA3 -0.272 3.688 3.960 0.001 0.000 0.251 452 G C 0.303 175.224 174.900 0.034 0.000 0.998 452 G CA 0.316 45.428 45.100 0.020 0.000 0.621 452 G HN 0.443 nan 8.290 nan 0.000 0.524 453 S N 1.933 117.663 115.700 0.049 0.000 2.410 453 S HA 0.536 5.006 4.470 0.001 0.000 0.304 453 S C 0.501 175.212 174.600 0.185 0.000 1.095 453 S CA 0.052 58.323 58.200 0.119 0.000 1.089 453 S CB 1.375 64.631 63.200 0.094 0.000 0.968 453 S HN 0.449 nan 8.310 nan 0.000 0.480 454 T N 3.804 118.465 114.554 0.180 0.000 2.819 454 T HA -0.056 4.295 4.350 0.001 0.000 0.282 454 T C 0.639 175.422 174.700 0.139 0.000 1.013 454 T CA 0.470 62.651 62.100 0.134 0.000 1.159 454 T CB 0.130 69.061 68.868 0.106 0.000 1.007 454 T HN 0.513 nan 8.240 nan 0.000 0.514 455 D N 1.319 121.780 120.400 0.100 0.000 2.338 455 D HA 0.224 4.865 4.640 0.001 0.000 0.224 455 D C 0.568 176.898 176.300 0.050 0.000 0.967 455 D CA 0.591 54.642 54.000 0.085 0.000 0.896 455 D CB 0.255 41.104 40.800 0.081 0.000 1.028 455 D HN 0.545 nan 8.370 nan 0.000 0.493 456 L N -2.829 118.423 121.223 0.048 0.000 2.510 456 L HA 0.787 5.127 4.340 0.001 0.000 0.252 456 L C -1.088 175.810 176.870 0.048 0.000 1.091 456 L CA -1.070 53.792 54.840 0.036 0.000 0.888 456 L CB 2.053 44.122 42.059 0.017 0.000 1.507 456 L HN -0.343 nan 8.230 nan 0.000 0.407 457 V N 0.915 120.860 119.914 0.052 0.000 2.817 457 V HA 0.497 4.618 4.120 0.001 0.000 0.303 457 V C -0.491 175.622 176.094 0.032 0.000 1.151 457 V CA -0.330 62.004 62.300 0.057 0.000 0.929 457 V CB 1.898 33.787 31.823 0.110 0.000 1.030 457 V HN 0.724 nan 8.190 nan 0.000 0.427 458 L N 4.797 126.017 121.223 -0.005 0.000 2.387 458 L HA 0.688 5.029 4.340 0.001 0.000 0.266 458 L C -0.602 176.221 176.870 -0.079 0.000 1.059 458 L CA -0.546 54.267 54.840 -0.046 0.000 0.801 458 L CB 1.598 43.611 42.059 -0.077 0.000 1.223 458 L HN 0.447 nan 8.230 nan 0.000 0.456 459 I N -0.298 120.193 120.570 -0.132 0.000 2.894 459 I HA 0.534 4.705 4.170 0.001 0.000 0.302 459 I C -0.121 175.839 176.117 -0.262 0.000 1.188 459 I CA -0.576 60.569 61.300 -0.259 0.000 1.014 459 I CB 2.372 40.087 38.000 -0.476 0.000 1.242 459 I HN 0.607 nan 8.210 nan 0.000 0.430 460 G N 2.238 110.869 108.800 -0.281 0.000 2.453 460 G HA2 0.763 4.723 3.960 0.001 0.000 0.323 460 G HA3 0.763 4.723 3.960 0.001 0.000 0.323 460 G C -0.883 173.929 174.900 -0.148 0.000 1.198 460 G CA -0.560 44.416 45.100 -0.207 0.000 0.959 460 G HN 0.832 nan 8.290 nan 0.000 0.482 461 A N 2.049 124.823 122.820 -0.076 0.000 3.346 461 A HA 0.590 4.911 4.320 0.001 0.000 0.222 461 A C -1.985 175.613 177.584 0.024 0.000 1.138 461 A CA -0.438 51.628 52.037 0.048 0.000 1.074 461 A CB 0.874 19.941 19.000 0.113 0.000 1.347 461 A HN 0.341 nan 8.150 nan 0.000 0.751 462 P HA -0.162 nan 4.420 nan 0.000 0.218 462 P C 0.303 177.438 177.300 -0.274 0.000 1.146 462 P CA 1.427 64.335 63.100 -0.320 0.000 0.820 462 P CB -0.089 31.218 31.700 -0.655 0.000 0.778 463 H N -2.413 116.751 119.070 0.156 0.000 2.375 463 H HA 0.305 4.861 4.556 0.001 0.000 0.230 463 H C -0.594 174.953 175.328 0.365 0.000 1.511 463 H CA -0.537 55.626 56.048 0.191 0.000 1.215 463 H CB -0.515 29.304 29.762 0.095 0.000 1.580 463 H HN 0.172 nan 8.280 nan 0.000 0.537 464 Y N 2.137 122.630 120.300 0.320 0.000 2.605 464 Y HA 0.495 5.046 4.550 0.001 0.000 0.343 464 Y C -1.419 174.748 175.900 0.444 0.000 1.036 464 Y CA -1.399 56.893 58.100 0.319 0.000 1.065 464 Y CB 1.652 40.226 38.460 0.190 0.000 1.288 464 Y HN 0.266 nan 8.280 nan 0.000 0.481 465 Y N 0.535 120.298 120.300 -0.894 0.000 3.035 465 Y HA 0.380 4.931 4.550 0.001 0.000 0.388 465 Y C -0.594 174.939 175.900 -0.611 0.000 1.268 465 Y CA -0.638 57.096 58.100 -0.611 0.000 1.128 465 Y CB 0.428 38.791 38.460 -0.162 0.000 1.820 465 Y HN 0.570 nan 8.280 nan 0.000 0.432 466 E N -1.569 118.487 120.200 -0.239 0.000 2.756 466 E HA 0.182 4.533 4.350 0.001 0.000 0.218 466 E C 0.336 176.979 176.600 0.072 0.000 1.042 466 E CA 0.143 56.412 56.400 -0.217 0.000 1.713 466 E CB 0.273 29.881 29.700 -0.153 0.000 2.443 466 E HN 0.470 nan 8.360 nan 0.000 1.080 467 Q N 0.248 120.131 119.800 0.139 0.000 2.330 467 Q HA 0.252 4.593 4.340 0.001 0.000 0.254 467 Q C -0.157 175.903 176.000 0.100 0.000 0.777 467 Q CA 0.867 56.744 55.803 0.124 0.000 0.972 467 Q CB 2.119 30.895 28.738 0.062 0.000 1.236 467 Q HN 0.091 nan 8.270 nan 0.000 0.508 468 T N 1.471 116.089 114.554 0.106 0.000 2.840 468 T HA 0.421 4.771 4.350 0.001 0.000 0.287 468 T C 0.083 174.847 174.700 0.108 0.000 0.991 468 T CA -0.439 61.696 62.100 0.058 0.000 0.964 468 T CB 1.605 70.505 68.868 0.052 0.000 0.954 468 T HN -0.050 nan 8.240 nan 0.000 0.438 469 R N 2.021 122.550 120.500 0.050 0.000 4.263 469 R HA 0.198 4.539 4.340 0.001 0.000 0.248 469 R C 1.903 178.328 176.300 0.209 0.000 1.796 469 R CA -0.277 55.904 56.100 0.135 0.000 1.518 469 R CB -0.318 30.024 30.300 0.071 0.000 1.342 469 R HN 0.864 nan 8.270 nan 0.000 0.706 470 G N 0.153 109.071 108.800 0.197 0.000 2.446 470 G HA2 -0.024 3.936 3.960 0.001 0.000 0.217 470 G HA3 -0.024 3.936 3.960 0.001 0.000 0.217 470 G C 0.686 175.770 174.900 0.308 0.000 1.168 470 G CA 0.855 46.094 45.100 0.232 0.000 0.771 470 G HN 0.614 nan 8.290 nan 0.000 0.551 471 G N -2.110 106.893 108.800 0.338 0.000 2.340 471 G HA2 0.442 4.402 3.960 0.001 0.000 0.282 471 G HA3 0.442 4.402 3.960 0.001 0.000 0.282 471 G C -1.800 173.367 174.900 0.446 0.000 1.312 471 G CA 0.129 45.451 45.100 0.370 0.000 0.942 471 G HN 0.770 nan 8.290 nan 0.000 0.495 472 Q N -1.098 118.902 119.800 0.334 0.000 2.429 472 Q HA 0.568 4.909 4.340 0.001 0.000 0.247 472 Q C -1.497 174.526 176.000 0.040 0.000 0.915 472 Q CA -0.485 55.493 55.803 0.290 0.000 0.971 472 Q CB 1.941 30.871 28.738 0.320 0.000 1.468 472 Q HN 1.146 nan 8.270 nan 0.000 0.439 473 V N 2.275 122.195 119.914 0.011 0.000 2.555 473 V HA 0.829 4.949 4.120 0.001 0.000 0.302 473 V C -0.589 175.524 176.094 0.033 0.000 1.038 473 V CA -0.677 61.551 62.300 -0.120 0.000 0.887 473 V CB 2.005 33.620 31.823 -0.348 0.000 0.991 473 V HN 0.727 nan 8.190 nan 0.000 0.434 474 S N 3.407 119.123 115.700 0.026 0.000 2.498 474 S HA 0.558 5.028 4.470 0.001 0.000 0.317 474 S C -0.818 173.814 174.600 0.053 0.000 1.090 474 S CA -0.469 57.801 58.200 0.117 0.000 1.089 474 S CB 1.525 64.890 63.200 0.274 0.000 0.997 474 S HN 0.708 nan 8.310 nan 0.000 0.470 475 V N 5.954 125.901 119.914 0.054 0.000 2.498 475 V HA 0.589 4.709 4.120 0.001 0.000 0.279 475 V C -0.775 175.300 176.094 -0.032 0.000 1.048 475 V CA -0.094 62.211 62.300 0.008 0.000 0.967 475 V CB 0.309 32.140 31.823 0.013 0.000 0.988 475 V HN 1.075 nan 8.190 nan 0.000 0.473 476 c N 7.747 126.301 118.600 -0.077 0.000 3.078 476 c HA 0.401 4.972 4.570 0.001 0.000 0.320 476 c C -2.429 171.536 174.090 -0.208 0.000 1.039 476 c CA -1.075 55.102 56.329 -0.254 0.000 1.386 476 c CB 0.753 43.092 42.510 -0.285 0.000 1.836 476 c HN 0.758 nan 8.230 nan 0.000 0.514 477 P HA 0.084 nan 4.420 nan 0.000 0.272 477 P C -0.260 176.991 177.300 -0.081 0.000 1.248 477 P CA -0.272 62.721 63.100 -0.178 0.000 0.799 477 P CB 0.520 32.083 31.700 -0.228 0.000 0.997 478 L N 1.717 122.948 121.223 0.014 0.000 2.719 478 L HA 0.444 4.785 4.340 0.001 0.000 0.236 478 L C -2.395 174.443 176.870 -0.053 0.000 1.221 478 L CA -2.416 52.496 54.840 0.120 0.000 1.048 478 L CB -0.565 41.490 42.059 -0.005 0.000 1.364 478 L HN 0.150 nan 8.230 nan 0.000 0.447 479 P HA 0.081 nan 4.420 nan 0.000 0.264 479 P C -0.759 176.494 177.300 -0.079 0.000 1.179 479 P CA 0.115 63.129 63.100 -0.143 0.000 0.763 479 P CB 0.367 31.831 31.700 -0.392 0.000 0.806 480 R N 2.072 122.513 120.500 -0.098 0.000 2.346 480 R HA 0.653 4.993 4.340 0.001 0.000 0.311 480 R C -0.325 175.966 176.300 -0.014 0.000 0.983 480 R CA -0.071 55.949 56.100 -0.134 0.000 0.880 480 R CB 0.347 30.456 30.300 -0.320 0.000 1.100 480 R HN 0.701 nan 8.270 nan 0.000 0.453 481 G N 4.308 113.134 108.800 0.043 0.000 2.491 481 G HA2 -0.067 3.893 3.960 0.001 0.000 0.508 481 G HA3 -0.067 3.893 3.960 0.001 0.000 0.508 481 G C -0.981 174.033 174.900 0.190 0.000 1.143 481 G CA -0.813 44.309 45.100 0.036 0.000 1.277 481 G HN 0.358 nan 8.290 nan 0.000 0.599 482 W N 1.829 123.104 121.300 -0.042 0.000 2.055 482 W HA 0.447 5.107 4.660 0.001 0.000 0.356 482 W C 1.761 178.285 176.519 0.009 0.000 1.331 482 W CA 0.204 57.522 57.345 -0.046 0.000 1.364 482 W CB -0.167 29.252 29.460 -0.068 0.000 1.274 482 W HN 0.904 nan 8.180 nan 0.000 0.645 483 R N -1.206 119.447 120.500 0.256 0.000 3.922 483 R HA -0.236 4.104 4.340 0.001 0.000 0.447 483 R C 0.295 176.708 176.300 0.189 0.000 1.035 483 R CA 1.405 57.610 56.100 0.175 0.000 1.289 483 R CB -1.204 29.192 30.300 0.160 0.000 1.906 483 R HN 0.493 nan 8.270 nan 0.000 0.540 484 R N -0.096 120.555 120.500 0.252 0.000 2.510 484 R HA 0.363 4.703 4.340 0.001 0.000 0.287 484 R C -2.078 174.519 176.300 0.495 0.000 1.084 484 R CA -0.596 55.715 56.100 0.351 0.000 0.934 484 R CB 1.249 31.753 30.300 0.340 0.000 1.201 484 R HN 0.125 nan 8.270 nan 0.000 0.431 485 W N 6.723 128.189 121.300 0.277 0.000 4.020 485 W HA 0.346 5.007 4.660 0.001 0.000 0.293 485 W C -2.257 174.355 176.519 0.155 0.000 1.236 485 W CA -0.664 56.673 57.345 -0.014 0.000 1.265 485 W CB 0.866 30.227 29.460 -0.166 0.000 1.248 485 W HN 0.562 nan 8.180 nan 0.000 0.501 486 W N 4.874 125.791 121.300 -0.638 0.000 2.683 486 W HA 0.608 5.269 4.660 0.001 0.000 0.329 486 W C -0.424 175.585 176.519 -0.849 0.000 1.037 486 W CA -1.127 55.882 57.345 -0.559 0.000 1.232 486 W CB 0.657 29.936 29.460 -0.301 0.000 1.390 486 W HN 0.276 nan 8.180 nan 0.000 0.465 487 c N 2.066 120.312 118.600 -0.590 0.000 2.539 487 c HA -0.056 4.514 4.570 0.001 0.000 0.271 487 c C 0.938 174.938 174.090 -0.150 0.000 1.412 487 c CA 0.651 56.711 56.329 -0.448 0.000 1.729 487 c CB -1.801 40.600 42.510 -0.181 0.000 1.739 487 c HN 0.720 nan 8.230 nan 0.000 0.570 488 D N 0.587 120.984 120.400 -0.005 0.000 2.970 488 D HA 0.317 4.958 4.640 0.001 0.000 0.282 488 D C 0.574 177.023 176.300 0.249 0.000 1.291 488 D CA -0.033 54.030 54.000 0.105 0.000 0.967 488 D CB 0.093 40.932 40.800 0.065 0.000 1.017 488 D HN 0.285 nan 8.370 nan 0.000 0.512 489 A N 1.679 124.618 122.820 0.198 0.000 3.074 489 A HA 0.478 4.799 4.320 0.001 0.000 0.251 489 A C 1.304 178.953 177.584 0.108 0.000 1.695 489 A CA -0.142 52.011 52.037 0.192 0.000 1.343 489 A CB -0.795 18.269 19.000 0.106 0.000 1.078 489 A HN 0.394 nan 8.150 nan 0.000 0.644 490 V N -1.608 118.368 119.914 0.103 0.000 0.677 490 V HA -0.378 3.742 4.120 0.001 0.000 0.092 490 V C 1.184 177.347 176.094 0.115 0.000 0.999 490 V CA 1.987 64.336 62.300 0.081 0.000 3.144 490 V CB -2.121 29.728 31.823 0.043 0.000 0.313 490 V HN 1.225 nan 8.190 nan 0.000 0.280 491 L N 0.711 121.967 121.223 0.056 0.000 2.600 491 L HA 0.740 5.080 4.340 0.001 0.000 0.221 491 L C -0.305 176.625 176.870 0.098 0.000 1.197 491 L CA 0.133 54.939 54.840 -0.056 0.000 0.838 491 L CB 0.214 42.233 42.059 -0.067 0.000 1.474 491 L HN 1.119 nan 8.230 nan 0.000 0.514 492 Y N -2.793 117.549 120.300 0.069 0.000 2.246 492 Y HA 0.619 5.170 4.550 0.001 0.000 0.315 492 Y C -0.218 175.750 175.900 0.114 0.000 1.251 492 Y CA -1.104 57.036 58.100 0.068 0.000 1.212 492 Y CB -0.357 38.147 38.460 0.074 0.000 1.277 492 Y HN 0.935 nan 8.280 nan 0.000 0.398 493 G N 2.335 111.240 108.800 0.175 0.000 2.544 493 G HA2 0.510 4.470 3.960 0.001 0.000 0.242 493 G HA3 0.510 4.470 3.960 0.001 0.000 0.242 493 G C -0.416 174.747 174.900 0.439 0.000 1.247 493 G CA 0.002 45.239 45.100 0.228 0.000 0.840 493 G HN 0.821 nan 8.290 nan 0.000 0.578 494 E N -0.554 119.773 120.200 0.211 0.000 3.611 494 E HA 0.543 4.893 4.350 0.001 0.000 0.111 494 E C -0.911 175.364 176.600 -0.541 0.000 1.120 494 E CA -0.703 55.717 56.400 0.033 0.000 0.766 494 E CB 1.134 30.956 29.700 0.203 0.000 1.996 494 E HN 0.405 nan 8.360 nan 0.000 0.453 495 Q N -0.732 118.934 119.800 -0.224 0.000 2.939 495 Q HA 0.333 4.673 4.340 0.001 0.000 0.274 495 Q C -1.771 174.245 176.000 0.026 0.000 0.941 495 Q CA 0.127 55.825 55.803 -0.175 0.000 0.824 495 Q CB 1.326 29.862 28.738 -0.337 0.000 1.779 495 Q HN 0.567 nan 8.270 nan 0.000 0.470 496 G N 1.869 110.717 108.800 0.081 0.000 3.343 496 G HA2 0.467 4.428 3.960 0.001 0.000 0.279 496 G HA3 0.467 4.428 3.960 0.001 0.000 0.279 496 G C -0.999 174.011 174.900 0.183 0.000 0.919 496 G CA 0.371 45.537 45.100 0.110 0.000 1.812 496 G HN 0.614 nan 8.290 nan 0.000 0.584 497 H N 0.870 119.977 119.070 0.062 0.000 3.288 497 H HA 0.330 4.887 4.556 0.001 0.000 0.337 497 H C -2.778 172.609 175.328 0.098 0.000 1.363 497 H CA -0.889 55.203 56.048 0.074 0.000 1.641 497 H CB 1.803 31.623 29.762 0.097 0.000 2.077 497 H HN 0.210 nan 8.280 nan 0.000 0.522 498 P HA -0.138 nan 4.420 nan 0.000 0.271 498 P C -0.204 177.132 177.300 0.060 0.000 1.228 498 P CA 0.296 63.334 63.100 -0.102 0.000 0.797 498 P CB 0.383 31.915 31.700 -0.281 0.000 0.914 499 W N -0.270 121.000 121.300 -0.049 0.000 6.719 499 W HA -0.122 4.538 4.660 0.001 0.000 0.406 499 W C 1.298 177.891 176.519 0.122 0.000 1.551 499 W CA 1.265 58.623 57.345 0.022 0.000 1.103 499 W CB -2.461 26.989 29.460 -0.016 0.000 2.735 499 W HN 0.551 nan 8.180 nan 0.000 1.586 500 G N -0.945 108.073 108.800 0.363 0.000 2.762 500 G HA2 0.089 4.049 3.960 0.001 0.000 0.209 500 G HA3 0.089 4.049 3.960 0.001 0.000 0.209 500 G C 0.925 175.994 174.900 0.282 0.000 1.134 500 G CA 0.035 45.361 45.100 0.376 0.000 0.781 500 G HN 0.247 nan 8.290 nan 0.000 0.528 501 R N -0.870 119.752 120.500 0.204 0.000 3.209 501 R HA -0.195 4.146 4.340 0.001 0.000 0.252 501 R C -0.717 175.673 176.300 0.149 0.000 0.958 501 R CA 0.238 56.380 56.100 0.069 0.000 0.651 501 R CB -2.230 28.081 30.300 0.017 0.000 1.142 501 R HN 0.428 nan 8.270 nan 0.000 0.441 502 F N 0.584 120.573 119.950 0.064 0.000 2.413 502 F HA 0.412 4.939 4.527 0.001 0.000 0.359 502 F C 1.248 177.059 175.800 0.018 0.000 1.122 502 F CA 1.037 59.084 58.000 0.079 0.000 1.160 502 F CB 1.054 40.100 39.000 0.078 0.000 1.146 502 F HN 0.365 nan 8.300 nan 0.000 0.514 503 G N 3.538 112.014 108.800 -0.539 0.000 2.164 503 G HA2 -0.200 3.761 3.960 0.001 0.000 0.154 503 G HA3 -0.200 3.761 3.960 0.001 0.000 0.154 503 G C 0.801 175.548 174.900 -0.255 0.000 1.014 503 G CA 0.008 44.801 45.100 -0.512 0.000 0.683 503 G HN 1.131 nan 8.290 nan 0.000 0.500 504 A N -0.523 122.195 122.820 -0.171 0.000 1.940 504 A HA 0.627 4.948 4.320 0.001 0.000 0.219 504 A C 1.588 179.122 177.584 -0.084 0.000 1.176 504 A CA 2.622 54.590 52.037 -0.114 0.000 0.631 504 A CB -0.166 18.793 19.000 -0.069 0.000 0.814 504 A HN 2.307 nan 8.150 nan 0.000 0.446 505 A N -2.293 120.471 122.820 -0.094 0.000 2.588 505 A HA 0.724 5.045 4.320 0.001 0.000 0.290 505 A C -1.506 176.028 177.584 -0.084 0.000 1.136 505 A CA -0.105 51.888 52.037 -0.073 0.000 0.681 505 A CB 0.749 19.715 19.000 -0.056 0.000 1.282 505 A HN 1.498 nan 8.150 nan 0.000 0.421 506 L N -3.301 117.886 121.223 -0.059 0.000 2.948 506 L HA 0.819 5.160 4.340 0.001 0.000 0.248 506 L C -0.675 176.180 176.870 -0.024 0.000 0.977 506 L CA -0.183 54.628 54.840 -0.048 0.000 1.002 506 L CB 1.046 43.054 42.059 -0.085 0.000 1.519 506 L HN 1.172 nan 8.230 nan 0.000 0.422 507 T N -0.028 114.522 114.554 -0.006 0.000 2.894 507 T HA 0.630 4.981 4.350 0.001 0.000 0.309 507 T C -1.281 173.429 174.700 0.017 0.000 1.208 507 T CA -0.284 61.821 62.100 0.007 0.000 1.016 507 T CB 2.128 71.005 68.868 0.014 0.000 1.192 507 T HN 1.375 nan 8.240 nan 0.000 0.491 508 V N 5.637 125.564 119.914 0.022 0.000 2.585 508 V HA 0.294 4.414 4.120 0.001 0.000 0.296 508 V C 0.769 176.882 176.094 0.031 0.000 1.035 508 V CA 0.258 62.575 62.300 0.029 0.000 1.084 508 V CB 0.799 32.642 31.823 0.032 0.000 0.953 508 V HN 0.867 nan 8.190 nan 0.000 0.483 509 L N 7.123 128.368 121.223 0.036 0.000 2.388 509 L HA 0.666 5.007 4.340 0.001 0.000 0.209 509 L C 1.023 177.913 176.870 0.034 0.000 1.061 509 L CA 1.880 56.740 54.840 0.033 0.000 0.834 509 L CB -0.439 41.640 42.059 0.034 0.000 1.029 509 L HN 1.194 nan 8.230 nan 0.000 0.473 510 G N -0.314 108.512 108.800 0.043 0.000 2.512 510 G HA2 -0.222 3.739 3.960 0.001 0.000 0.210 510 G HA3 -0.222 3.739 3.960 0.001 0.000 0.210 510 G C -0.981 173.952 174.900 0.056 0.000 1.295 510 G CA -0.075 45.052 45.100 0.046 0.000 0.934 510 G HN 0.319 nan 8.290 nan 0.000 0.554 511 D N 0.856 121.288 120.400 0.054 0.000 2.336 511 D HA 0.366 5.007 4.640 0.001 0.000 0.249 511 D C 1.676 178.005 176.300 0.048 0.000 1.213 511 D CA 0.489 54.527 54.000 0.064 0.000 0.870 511 D CB 1.138 41.978 40.800 0.067 0.000 1.076 511 D HN 1.071 nan 8.370 nan 0.000 0.483 512 V N 2.201 122.140 119.914 0.041 0.000 3.013 512 V HA 0.098 4.218 4.120 0.001 0.000 0.238 512 V C 1.409 177.498 176.094 -0.008 0.000 1.161 512 V CA 0.611 62.912 62.300 0.003 0.000 1.170 512 V CB -0.441 31.363 31.823 -0.032 0.000 0.917 512 V HN 0.481 nan 8.190 nan 0.000 0.478 513 N N 1.383 120.075 118.700 -0.013 0.000 2.336 513 N HA 0.294 5.035 4.740 0.001 0.000 0.189 513 N C 1.480 177.146 175.510 0.259 0.000 1.113 513 N CA 0.850 53.918 53.050 0.030 0.000 0.858 513 N CB 0.463 38.860 38.487 -0.151 0.000 0.970 513 N HN 0.975 nan 8.380 nan 0.000 0.471 514 G N 0.993 109.918 108.800 0.209 0.000 2.159 514 G HA2 -0.315 3.645 3.960 0.001 0.000 0.256 514 G HA3 -0.315 3.645 3.960 0.001 0.000 0.256 514 G C 0.080 175.193 174.900 0.355 0.000 0.977 514 G CA 0.428 45.687 45.100 0.266 0.000 0.652 514 G HN 0.660 nan 8.290 nan 0.000 0.531 515 D N 0.189 120.752 120.400 0.272 0.000 2.413 515 D HA 0.268 4.909 4.640 0.001 0.000 0.237 515 D C 1.419 177.808 176.300 0.149 0.000 1.171 515 D CA 0.100 54.224 54.000 0.207 0.000 0.839 515 D CB -0.036 40.791 40.800 0.045 0.000 0.950 515 D HN 0.315 nan 8.370 nan 0.000 0.499 516 K N -0.772 119.714 120.400 0.144 0.000 3.529 516 K HA -0.194 4.126 4.320 0.001 0.000 0.313 516 K C -0.335 176.324 176.600 0.098 0.000 1.316 516 K CA 0.569 56.921 56.287 0.108 0.000 0.988 516 K CB -1.977 30.583 32.500 0.099 0.000 1.252 516 K HN 0.415 nan 8.250 nan 0.000 0.438 517 L N 2.166 123.454 121.223 0.108 0.000 2.313 517 L HA 0.188 4.528 4.340 0.001 0.000 0.273 517 L C 0.848 177.798 176.870 0.133 0.000 1.028 517 L CA -0.374 54.535 54.840 0.115 0.000 0.871 517 L CB 1.646 43.776 42.059 0.118 0.000 1.242 517 L HN -0.031 nan 8.230 nan 0.000 0.434 518 T N 1.698 116.320 114.554 0.112 0.000 2.898 518 T HA -0.026 4.324 4.350 0.001 0.000 0.331 518 T C -0.296 174.484 174.700 0.133 0.000 1.085 518 T CA 0.357 62.520 62.100 0.106 0.000 1.129 518 T CB 0.125 69.043 68.868 0.083 0.000 1.054 518 T HN 0.471 nan 8.240 nan 0.000 0.540 519 D N 1.384 121.851 120.400 0.112 0.000 2.575 519 D HA 0.560 5.200 4.640 0.001 0.000 0.236 519 D C -0.316 176.021 176.300 0.061 0.000 1.075 519 D CA -0.326 53.730 54.000 0.092 0.000 0.860 519 D CB 1.867 42.714 40.800 0.078 0.000 1.475 519 D HN 0.500 nan 8.370 nan 0.000 0.474 520 V N -1.681 118.273 119.914 0.067 0.000 3.046 520 V HA 0.854 4.974 4.120 0.001 0.000 0.316 520 V C -0.401 175.756 176.094 0.104 0.000 1.104 520 V CA -0.763 61.578 62.300 0.068 0.000 1.006 520 V CB 1.852 33.703 31.823 0.046 0.000 1.058 520 V HN 0.273 nan 8.190 nan 0.000 0.440 521 V N 2.451 122.417 119.914 0.086 0.000 2.680 521 V HA 0.637 4.758 4.120 0.001 0.000 0.309 521 V C -0.407 175.746 176.094 0.099 0.000 1.052 521 V CA -0.414 61.956 62.300 0.117 0.000 0.908 521 V CB 1.715 33.583 31.823 0.074 0.000 1.001 521 V HN 0.823 nan 8.190 nan 0.000 0.431 522 I N 2.382 123.061 120.570 0.182 0.000 2.534 522 I HA 0.572 4.742 4.170 0.001 0.000 0.288 522 I C 0.464 176.711 176.117 0.217 0.000 1.077 522 I CA -0.433 60.948 61.300 0.136 0.000 1.051 522 I CB 2.209 40.274 38.000 0.108 0.000 1.234 522 I HN 0.756 nan 8.210 nan 0.000 0.425 523 G N 3.820 112.657 108.800 0.062 0.000 2.451 523 G HA2 0.712 4.673 3.960 0.001 0.000 0.303 523 G HA3 0.712 4.673 3.960 0.001 0.000 0.303 523 G C -0.520 174.471 174.900 0.151 0.000 1.166 523 G CA -0.412 44.710 45.100 0.036 0.000 0.884 523 G HN 0.811 nan 8.290 nan 0.000 0.514 524 A N 2.076 124.996 122.820 0.167 0.000 3.200 524 A HA 0.601 4.921 4.320 0.001 0.000 0.274 524 A C -2.300 175.408 177.584 0.206 0.000 1.220 524 A CA -0.633 51.570 52.037 0.277 0.000 0.904 524 A CB 1.307 20.664 19.000 0.596 0.000 1.415 524 A HN 0.338 nan 8.150 nan 0.000 0.630 525 P HA 0.047 nan 4.420 nan 0.000 0.239 525 P C 1.316 178.758 177.300 0.237 0.000 1.184 525 P CA 1.657 64.884 63.100 0.211 0.000 0.760 525 P CB 0.316 32.136 31.700 0.199 0.000 0.884 526 G N -1.535 107.394 108.800 0.214 0.000 3.159 526 G HA2 0.005 3.965 3.960 0.001 0.000 0.232 526 G HA3 0.005 3.965 3.960 0.001 0.000 0.232 526 G C 0.537 175.617 174.900 0.299 0.000 1.116 526 G CA -0.071 45.167 45.100 0.231 0.000 0.767 526 G HN 0.097 nan 8.290 nan 0.000 0.547 527 E N 1.156 121.515 120.200 0.264 0.000 2.447 527 E HA 0.123 4.473 4.350 0.001 0.000 0.259 527 E C 0.797 177.439 176.600 0.070 0.000 1.196 527 E CA 0.077 56.573 56.400 0.159 0.000 0.995 527 E CB 0.482 30.215 29.700 0.054 0.000 0.974 527 E HN 0.505 nan 8.360 nan 0.000 0.465 528 E N 0.067 120.052 120.200 -0.357 0.000 3.675 528 E HA -0.292 4.059 4.350 0.001 0.000 0.252 528 E C -0.065 176.683 176.600 0.247 0.000 1.502 528 E CA 1.556 57.902 56.400 -0.089 0.000 2.293 528 E CB -0.614 29.055 29.700 -0.052 0.000 2.078 528 E HN 0.698 nan 8.360 nan 0.000 0.461 529 E N 2.296 122.598 120.200 0.169 0.000 1.972 529 E HA 0.102 4.452 4.350 0.001 0.000 0.292 529 E C 0.286 176.994 176.600 0.180 0.000 1.193 529 E CA 0.518 57.024 56.400 0.177 0.000 1.228 529 E CB 0.110 29.884 29.700 0.122 0.000 1.167 529 E HN 0.571 nan 8.360 nan 0.000 0.479 530 N N 1.296 120.133 118.700 0.229 0.000 2.946 530 N HA -0.214 4.527 4.740 0.001 0.000 0.228 530 N C -0.442 175.211 175.510 0.238 0.000 0.873 530 N CA 1.153 54.343 53.050 0.235 0.000 1.029 530 N CB -0.565 38.056 38.487 0.223 0.000 1.047 530 N HN 0.400 nan 8.380 nan 0.000 0.612 531 R N 0.549 121.157 120.500 0.180 0.000 2.905 531 R HA 0.342 4.682 4.340 0.001 0.000 0.273 531 R C 1.253 177.682 176.300 0.214 0.000 1.033 531 R CA 0.780 56.970 56.100 0.151 0.000 1.182 531 R CB -0.644 29.702 30.300 0.075 0.000 1.097 531 R HN 0.317 nan 8.270 nan 0.000 0.504 532 G N -1.131 107.829 108.800 0.265 0.000 2.557 532 G HA2 0.578 4.538 3.960 0.001 0.000 0.292 532 G HA3 0.578 4.538 3.960 0.001 0.000 0.292 532 G C -1.063 174.094 174.900 0.429 0.000 1.237 532 G CA 0.117 45.507 45.100 0.484 0.000 0.978 532 G HN 0.676 nan 8.290 nan 0.000 0.498 533 A N -1.730 121.362 122.820 0.453 0.000 2.583 533 A HA 0.676 4.997 4.320 0.001 0.000 0.292 533 A C -1.418 176.193 177.584 0.045 0.000 1.045 533 A CA -0.376 51.799 52.037 0.230 0.000 0.672 533 A CB 1.277 20.278 19.000 0.002 0.000 1.283 533 A HN 1.519 nan 8.150 nan 0.000 0.419 534 V N 0.208 120.039 119.914 -0.139 0.000 3.087 534 V HA 0.699 4.820 4.120 0.001 0.000 0.306 534 V C -1.577 174.305 176.094 -0.353 0.000 1.187 534 V CA -0.619 61.602 62.300 -0.132 0.000 0.999 534 V CB 2.064 33.886 31.823 -0.002 0.000 1.049 534 V HN 0.906 nan 8.190 nan 0.000 0.431 535 Y N 2.186 122.593 120.300 0.178 0.000 2.545 535 Y HA 0.817 5.367 4.550 0.001 0.000 0.348 535 Y C -0.656 175.393 175.900 0.249 0.000 1.002 535 Y CA -0.903 57.298 58.100 0.169 0.000 1.039 535 Y CB 2.126 40.789 38.460 0.338 0.000 1.271 535 Y HN 0.517 nan 8.280 nan 0.000 0.467 536 L N 2.858 124.257 121.223 0.294 0.000 2.376 536 L HA 0.703 5.044 4.340 0.001 0.000 0.275 536 L C -1.965 174.907 176.870 0.004 0.000 0.987 536 L CA -0.611 54.339 54.840 0.183 0.000 0.828 536 L CB 0.512 42.599 42.059 0.046 0.000 1.249 536 L HN 0.453 nan 8.230 nan 0.000 0.409 537 F N 2.781 122.663 119.950 -0.113 0.000 2.618 537 F HA 0.675 5.202 4.527 0.001 0.000 0.332 537 F C 0.122 175.684 175.800 -0.398 0.000 1.061 537 F CA -0.685 57.224 58.000 -0.151 0.000 0.974 537 F CB 1.553 40.578 39.000 0.043 0.000 1.310 537 F HN 0.395 nan 8.300 nan 0.000 0.491 538 H N -0.882 118.370 119.070 0.303 0.000 2.821 538 H HA 0.504 5.061 4.556 0.001 0.000 0.373 538 H C 0.050 175.482 175.328 0.174 0.000 1.165 538 H CA -0.958 55.207 56.048 0.195 0.000 1.154 538 H CB 1.625 31.482 29.762 0.157 0.000 1.765 538 H HN 0.774 nan 8.280 nan 0.000 0.549 539 G N 0.049 109.001 108.800 0.253 0.000 2.588 539 G HA2 0.385 4.346 3.960 0.001 0.000 0.278 539 G HA3 0.385 4.346 3.960 0.001 0.000 0.278 539 G C 0.394 175.389 174.900 0.158 0.000 1.307 539 G CA -0.023 45.182 45.100 0.174 0.000 1.016 539 G HN 0.362 nan 8.290 nan 0.000 0.503 540 V N -1.186 118.799 119.914 0.118 0.000 4.491 540 V HA 0.418 4.539 4.120 0.001 0.000 0.164 540 V C -0.053 176.091 176.094 0.084 0.000 1.146 540 V CA -0.048 62.310 62.300 0.098 0.000 1.322 540 V CB -0.204 31.672 31.823 0.089 0.000 1.741 540 V HN 0.404 nan 8.190 nan 0.000 0.542 541 L N 0.738 122.008 121.223 0.079 0.000 2.568 541 L HA 0.649 4.989 4.340 0.001 0.000 0.262 541 L C 0.354 177.268 176.870 0.073 0.000 0.980 541 L CA 0.393 55.278 54.840 0.074 0.000 0.882 541 L CB 1.137 43.239 42.059 0.071 0.000 1.198 541 L HN 0.689 nan 8.230 nan 0.000 0.425 542 G N 4.439 113.284 108.800 0.074 0.000 2.514 542 G HA2 -0.214 3.747 3.960 0.001 0.000 0.265 542 G HA3 -0.214 3.747 3.960 0.001 0.000 0.265 542 G C -2.657 172.284 174.900 0.067 0.000 1.150 542 G CA -0.390 44.753 45.100 0.072 0.000 0.959 542 G HN 0.411 nan 8.290 nan 0.000 0.556 543 P HA 0.460 nan 4.420 nan 0.000 0.273 543 P C -0.331 177.002 177.300 0.055 0.000 1.428 543 P CA 1.053 64.182 63.100 0.047 0.000 0.995 543 P CB 0.345 32.068 31.700 0.038 0.000 1.286 544 S N 3.375 119.109 115.700 0.058 0.000 2.712 544 S HA 0.644 5.114 4.470 0.001 0.000 0.279 544 S C -0.764 173.885 174.600 0.082 0.000 1.025 544 S CA -0.946 57.294 58.200 0.066 0.000 0.861 544 S CB 0.276 63.518 63.200 0.070 0.000 1.091 544 S HN 0.435 nan 8.310 nan 0.000 0.457 545 I N -1.701 118.926 120.570 0.095 0.000 3.279 545 I HA 0.882 5.052 4.170 0.001 0.000 0.315 545 I C -0.683 175.541 176.117 0.178 0.000 1.187 545 I CA -0.866 60.519 61.300 0.142 0.000 0.953 545 I CB 1.958 40.032 38.000 0.124 0.000 1.279 545 I HN 0.690 nan 8.210 nan 0.000 0.465 546 S N 2.505 118.365 115.700 0.267 0.000 2.434 546 S HA 0.485 4.956 4.470 0.001 0.000 0.318 546 S C -1.766 173.043 174.600 0.348 0.000 1.062 546 S CA -1.493 56.856 58.200 0.249 0.000 1.116 546 S CB 0.525 63.865 63.200 0.234 0.000 0.977 546 S HN 0.556 nan 8.310 nan 0.000 0.480 547 P HA -0.097 nan 4.420 nan 0.000 0.217 547 P C 0.072 177.515 177.300 0.237 0.000 1.158 547 P CA 0.987 64.262 63.100 0.293 0.000 0.887 547 P CB 0.009 31.774 31.700 0.110 0.000 0.792 548 S N 1.050 116.786 115.700 0.060 0.000 2.429 548 S HA 0.033 4.503 4.470 0.001 0.000 0.292 548 S C 0.540 174.992 174.600 -0.247 0.000 1.183 548 S CA -0.316 57.819 58.200 -0.109 0.000 1.088 548 S CB -0.853 62.286 63.200 -0.102 0.000 1.018 548 S HN 0.299 nan 8.310 nan 0.000 0.511 549 H N 1.503 120.290 119.070 -0.471 0.000 2.679 549 H HA 0.268 4.825 4.556 0.001 0.000 0.369 549 H C 1.009 176.217 175.328 -0.200 0.000 1.178 549 H CA -0.068 55.574 56.048 -0.676 0.000 1.419 549 H CB 0.468 29.671 29.762 -0.932 0.000 1.458 549 H HN 0.535 nan 8.280 nan 0.000 0.605 550 S N 0.523 116.236 115.700 0.021 0.000 2.483 550 S HA 0.036 4.506 4.470 0.001 0.000 0.221 550 S C 0.722 175.430 174.600 0.179 0.000 1.030 550 S CA -0.059 58.233 58.200 0.154 0.000 0.925 550 S CB 0.398 63.908 63.200 0.517 0.000 0.795 550 S HN 0.742 nan 8.310 nan 0.000 0.511 551 Q N 0.222 120.164 119.800 0.236 0.000 2.456 551 Q HA 0.570 4.911 4.340 0.001 0.000 0.283 551 Q C -1.301 174.834 176.000 0.224 0.000 1.084 551 Q CA -0.820 55.111 55.803 0.212 0.000 0.801 551 Q CB 1.818 30.650 28.738 0.156 0.000 1.434 551 Q HN 0.300 nan 8.270 nan 0.000 0.419 552 R N 3.802 124.365 120.500 0.104 0.000 2.627 552 R HA 0.318 4.658 4.340 0.001 0.000 0.251 552 R C -1.175 175.065 176.300 -0.100 0.000 1.524 552 R CA -0.162 55.886 56.100 -0.087 0.000 1.606 552 R CB 0.202 30.483 30.300 -0.031 0.000 1.396 552 R HN 0.636 nan 8.270 nan 0.000 0.724 553 I N 2.589 123.130 120.570 -0.047 0.000 2.680 553 I HA 0.044 4.215 4.170 0.001 0.000 0.286 553 I C 0.807 176.918 176.117 -0.010 0.000 1.144 553 I CA 0.296 61.589 61.300 -0.012 0.000 1.370 553 I CB 0.710 38.736 38.000 0.044 0.000 1.420 553 I HN 0.419 nan 8.210 nan 0.000 0.540 554 A N 4.979 127.765 122.820 -0.057 0.000 2.452 554 A HA 0.694 5.015 4.320 0.001 0.000 0.285 554 A C 1.313 178.796 177.584 -0.169 0.000 1.209 554 A CA -0.104 51.907 52.037 -0.043 0.000 0.940 554 A CB 0.229 19.186 19.000 -0.072 0.000 1.440 554 A HN 0.721 nan 8.150 nan 0.000 0.480 555 G N -0.604 108.098 108.800 -0.162 0.000 2.848 555 G HA2 0.181 4.142 3.960 0.001 0.000 0.208 555 G HA3 0.181 4.142 3.960 0.001 0.000 0.208 555 G C 0.661 175.454 174.900 -0.178 0.000 1.152 555 G CA 0.977 45.912 45.100 -0.276 0.000 0.789 555 G HN 0.527 nan 8.290 nan 0.000 0.531 556 S N 0.397 116.022 115.700 -0.125 0.000 2.605 556 S HA 0.109 4.579 4.470 0.001 0.000 0.217 556 S C 0.973 175.519 174.600 -0.090 0.000 0.958 556 S CA -0.015 58.133 58.200 -0.087 0.000 0.919 556 S CB 0.240 63.405 63.200 -0.058 0.000 0.780 556 S HN 0.237 nan 8.310 nan 0.000 0.507 557 Q N 1.442 121.167 119.800 -0.125 0.000 3.150 557 Q HA 0.315 4.656 4.340 0.001 0.000 0.297 557 Q C 0.233 176.172 176.000 -0.103 0.000 1.382 557 Q CA -0.171 55.570 55.803 -0.104 0.000 1.059 557 Q CB -0.536 28.133 28.738 -0.115 0.000 1.559 557 Q HN 0.471 nan 8.270 nan 0.000 0.548 558 L N 0.371 121.545 121.223 -0.081 0.000 3.983 558 L HA -0.267 4.073 4.340 0.001 0.000 0.453 558 L C 0.405 177.220 176.870 -0.092 0.000 1.119 558 L CA 0.560 55.356 54.840 -0.073 0.000 0.924 558 L CB -1.508 40.516 42.059 -0.057 0.000 1.831 558 L HN 0.290 nan 8.230 nan 0.000 1.001 559 S N -0.757 114.867 115.700 -0.127 0.000 2.503 559 S HA 0.203 4.674 4.470 0.001 0.000 0.317 559 S C 1.519 176.060 174.600 -0.099 0.000 1.162 559 S CA 0.246 58.361 58.200 -0.141 0.000 1.124 559 S CB 1.065 64.131 63.200 -0.223 0.000 1.207 559 S HN 0.380 nan 8.310 nan 0.000 0.538 560 S N 5.098 120.752 115.700 -0.076 0.000 2.380 560 S HA -0.121 4.350 4.470 0.001 0.000 0.229 560 S C 0.711 175.280 174.600 -0.052 0.000 1.050 560 S CA 1.346 59.512 58.200 -0.056 0.000 1.100 560 S CB -0.198 62.973 63.200 -0.048 0.000 0.984 560 S HN 0.862 nan 8.310 nan 0.000 0.434 561 R N -0.148 120.320 120.500 -0.054 0.000 3.033 561 R HA 0.367 4.708 4.340 0.001 0.000 0.236 561 R C -1.747 174.522 176.300 -0.051 0.000 1.774 561 R CA -0.007 56.067 56.100 -0.044 0.000 1.401 561 R CB 0.529 30.810 30.300 -0.032 0.000 1.539 561 R HN 0.178 nan 8.270 nan 0.000 0.618 562 L N 1.839 123.024 121.223 -0.064 0.000 2.356 562 L HA 0.355 4.695 4.340 0.001 0.000 0.277 562 L C 1.083 177.917 176.870 -0.061 0.000 0.996 562 L CA -0.483 54.315 54.840 -0.070 0.000 0.822 562 L CB 2.477 44.501 42.059 -0.058 0.000 1.256 562 L HN 0.505 nan 8.230 nan 0.000 0.413 563 Q N 2.826 122.555 119.800 -0.117 0.000 1.813 563 Q HA -0.086 4.254 4.340 0.001 0.000 0.261 563 Q C -0.680 175.347 176.000 0.046 0.000 0.975 563 Q CA 1.637 57.402 55.803 -0.063 0.000 0.881 563 Q CB 0.060 28.713 28.738 -0.141 0.000 0.924 563 Q HN 0.593 nan 8.270 nan 0.000 0.425 564 Y N -0.418 119.962 120.300 0.133 0.000 2.331 564 Y HA 0.524 5.075 4.550 0.001 0.000 0.338 564 Y C -0.867 175.167 175.900 0.223 0.000 0.976 564 Y CA -1.622 56.577 58.100 0.165 0.000 1.137 564 Y CB 0.357 38.888 38.460 0.118 0.000 1.172 564 Y HN 0.156 nan 8.280 nan 0.000 0.478 565 F N 2.030 122.068 119.950 0.146 0.000 2.563 565 F HA 0.819 5.346 4.527 0.001 0.000 0.316 565 F C 0.527 176.392 175.800 0.108 0.000 1.076 565 F CA -0.542 57.515 58.000 0.095 0.000 0.921 565 F CB 2.340 41.364 39.000 0.040 0.000 1.209 565 F HN 0.860 nan 8.300 nan 0.000 0.462 566 G N 2.811 111.206 108.800 -0.675 0.000 2.179 566 G HA2 -0.306 3.655 3.960 0.001 0.000 0.220 566 G HA3 -0.306 3.655 3.960 0.001 0.000 0.220 566 G C 0.566 175.338 174.900 -0.213 0.000 0.990 566 G CA 0.376 45.089 45.100 -0.644 0.000 0.646 566 G HN 0.806 nan 8.290 nan 0.000 0.517 567 Q N 0.026 119.784 119.800 -0.071 0.000 2.065 567 Q HA 0.135 4.476 4.340 0.001 0.000 0.213 567 Q C 1.680 177.655 176.000 -0.041 0.000 1.012 567 Q CA 2.279 58.081 55.803 -0.002 0.000 0.876 567 Q CB -0.170 28.611 28.738 0.072 0.000 0.954 567 Q HN 1.410 nan 8.270 nan 0.000 0.413 568 A N -0.610 122.179 122.820 -0.053 0.000 2.485 568 A HA 0.778 5.098 4.320 0.001 0.000 0.292 568 A C -1.587 175.959 177.584 -0.062 0.000 1.147 568 A CA -0.793 51.212 52.037 -0.053 0.000 0.750 568 A CB 1.496 20.470 19.000 -0.043 0.000 1.331 568 A HN 0.296 nan 8.150 nan 0.000 0.419 569 L N -3.175 118.023 121.223 -0.041 0.000 2.781 569 L HA 0.748 5.088 4.340 0.001 0.000 0.256 569 L C -0.877 175.991 176.870 -0.004 0.000 0.930 569 L CA -0.337 54.487 54.840 -0.026 0.000 0.967 569 L CB 1.151 43.182 42.059 -0.046 0.000 1.551 569 L HN 0.466 nan 8.230 nan 0.000 0.445 570 S N 0.303 116.012 115.700 0.015 0.000 2.575 570 S HA 0.975 5.446 4.470 0.001 0.000 0.278 570 S C -0.245 174.377 174.600 0.036 0.000 1.139 570 S CA -0.128 58.087 58.200 0.026 0.000 0.954 570 S CB 1.921 65.141 63.200 0.033 0.000 1.054 570 S HN 1.292 nan 8.310 nan 0.000 0.483 571 G N -0.148 108.671 108.800 0.032 0.000 2.766 571 G HA2 0.698 4.659 3.960 0.001 0.000 0.288 571 G HA3 0.698 4.659 3.960 0.001 0.000 0.288 571 G C 0.348 175.264 174.900 0.027 0.000 1.408 571 G CA -0.098 45.022 45.100 0.033 0.000 0.852 571 G HN 1.469 nan 8.290 nan 0.000 0.487 572 G N -1.552 107.262 108.800 0.022 0.000 2.367 572 G HA2 -0.100 3.861 3.960 0.001 0.000 0.181 572 G HA3 -0.100 3.861 3.960 0.001 0.000 0.181 572 G C 0.043 174.948 174.900 0.008 0.000 1.000 572 G CA 0.159 45.269 45.100 0.016 0.000 0.693 572 G HN 0.731 nan 8.290 nan 0.000 0.480 573 Q N 0.981 120.787 119.800 0.009 0.000 2.282 573 Q HA 0.550 4.891 4.340 0.001 0.000 0.260 573 Q C -0.886 175.110 176.000 -0.006 0.000 0.964 573 Q CA -0.576 55.227 55.803 0.001 0.000 0.880 573 Q CB 2.047 30.789 28.738 0.006 0.000 1.286 573 Q HN 0.252 nan 8.270 nan 0.000 0.445 574 D N 2.325 122.714 120.400 -0.019 0.000 2.352 574 D HA 0.127 4.768 4.640 0.001 0.000 0.245 574 D C -0.060 176.213 176.300 -0.046 0.000 1.224 574 D CA -0.270 53.708 54.000 -0.037 0.000 0.879 574 D CB 0.546 41.324 40.800 -0.037 0.000 1.057 574 D HN 0.498 nan 8.370 nan 0.000 0.491 575 L N 1.940 123.126 121.223 -0.063 0.000 2.577 575 L HA 0.291 4.631 4.340 0.001 0.000 0.225 575 L C 1.885 178.670 176.870 -0.142 0.000 1.053 575 L CA 0.587 55.391 54.840 -0.061 0.000 0.866 575 L CB -1.105 40.953 42.059 -0.002 0.000 1.132 575 L HN 0.337 nan 8.230 nan 0.000 0.486 576 T N -3.753 110.631 114.554 -0.284 0.000 3.088 576 T HA 0.066 4.417 4.350 0.001 0.000 0.259 576 T C 1.106 175.591 174.700 -0.358 0.000 1.122 576 T CA 0.826 62.541 62.100 -0.642 0.000 1.095 576 T CB -0.359 67.888 68.868 -1.034 0.000 0.930 576 T HN 0.544 nan 8.240 nan 0.000 0.508 577 Q N 0.359 120.045 119.800 -0.189 0.000 2.324 577 Q HA -0.189 4.151 4.340 0.001 0.000 0.200 577 Q C -0.760 175.190 176.000 -0.083 0.000 0.645 577 Q CA 1.149 56.892 55.803 -0.099 0.000 1.377 577 Q CB -1.928 26.776 28.738 -0.057 0.000 1.486 577 Q HN 0.935 nan 8.270 nan 0.000 0.796 578 D N -0.459 119.869 120.400 -0.120 0.000 2.414 578 D HA 0.263 4.904 4.640 0.001 0.000 0.242 578 D C 1.388 177.648 176.300 -0.066 0.000 1.129 578 D CA 0.606 54.561 54.000 -0.075 0.000 0.885 578 D CB 0.484 41.238 40.800 -0.077 0.000 1.198 578 D HN 0.107 nan 8.370 nan 0.000 0.437 579 G N 1.521 110.297 108.800 -0.040 0.000 2.628 579 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 579 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 579 G C 0.577 175.458 174.900 -0.032 0.000 1.240 579 G CA 0.755 45.836 45.100 -0.032 0.000 0.792 579 G HN 0.529 nan 8.290 nan 0.000 0.593 580 L N 0.870 122.077 121.223 -0.027 0.000 2.476 580 L HA 0.377 4.717 4.340 0.001 0.000 0.264 580 L C 1.205 178.060 176.870 -0.024 0.000 1.224 580 L CA -0.639 54.190 54.840 -0.018 0.000 0.821 580 L CB 0.958 43.011 42.059 -0.010 0.000 1.101 580 L HN 0.414 nan 8.230 nan 0.000 0.488 581 V N -0.033 119.873 119.914 -0.013 0.000 3.524 581 V HA 0.198 4.318 4.120 0.001 0.000 0.303 581 V C -0.166 175.920 176.094 -0.015 0.000 1.130 581 V CA -0.372 61.922 62.300 -0.011 0.000 1.225 581 V CB 0.141 31.965 31.823 0.002 0.000 1.056 581 V HN 0.794 nan 8.190 nan 0.000 0.495 582 D N 0.454 120.849 120.400 -0.008 0.000 2.523 582 D HA 0.729 5.369 4.640 0.001 0.000 0.236 582 D C -1.118 175.194 176.300 0.020 0.000 1.094 582 D CA -0.354 53.645 54.000 -0.002 0.000 0.942 582 D CB 2.149 42.940 40.800 -0.015 0.000 1.447 582 D HN 0.708 nan 8.370 nan 0.000 0.479 583 L N 0.539 121.782 121.223 0.033 0.000 2.362 583 L HA 0.786 5.127 4.340 0.001 0.000 0.271 583 L C -1.439 175.471 176.870 0.067 0.000 1.002 583 L CA -0.650 54.218 54.840 0.047 0.000 0.818 583 L CB 1.753 43.840 42.059 0.047 0.000 1.298 583 L HN 0.458 nan 8.230 nan 0.000 0.420 584 A N 4.643 127.505 122.820 0.069 0.000 2.311 584 A HA 0.763 5.083 4.320 0.001 0.000 0.306 584 A C -1.507 176.117 177.584 0.067 0.000 1.189 584 A CA -0.493 51.598 52.037 0.090 0.000 0.791 584 A CB 1.243 20.304 19.000 0.102 0.000 1.172 584 A HN 0.495 nan 8.150 nan 0.000 0.481 585 V N 2.619 122.583 119.914 0.084 0.000 2.407 585 V HA 0.614 4.734 4.120 0.001 0.000 0.291 585 V C 0.898 177.033 176.094 0.069 0.000 1.018 585 V CA -0.287 62.031 62.300 0.030 0.000 0.842 585 V CB 1.560 33.380 31.823 -0.006 0.000 0.996 585 V HN 1.098 nan 8.190 nan 0.000 0.426 586 G N 3.275 112.086 108.800 0.019 0.000 2.444 586 G HA2 0.680 4.640 3.960 0.001 0.000 0.268 586 G HA3 0.680 4.640 3.960 0.001 0.000 0.268 586 G C -0.255 174.692 174.900 0.078 0.000 1.203 586 G CA 0.338 45.465 45.100 0.045 0.000 0.835 586 G HN 1.157 nan 8.290 nan 0.000 0.543 587 A N 2.077 124.984 122.820 0.145 0.000 2.566 587 A HA 0.760 5.080 4.320 0.001 0.000 0.292 587 A C 0.126 177.784 177.584 0.123 0.000 1.112 587 A CA -0.920 51.225 52.037 0.180 0.000 0.707 587 A CB 1.167 20.344 19.000 0.295 0.000 1.302 587 A HN 0.778 nan 8.150 nan 0.000 0.409 588 R N 0.285 120.800 120.500 0.024 0.000 2.457 588 R HA 0.366 4.707 4.340 0.001 0.000 0.335 588 R C 1.231 177.555 176.300 0.042 0.000 1.003 588 R CA 1.875 57.957 56.100 -0.030 0.000 1.003 588 R CB -0.529 29.562 30.300 -0.349 0.000 0.950 588 R HN 1.919 nan 8.270 nan 0.000 0.428 589 G N 2.807 111.705 108.800 0.163 0.000 2.490 589 G HA2 -0.294 3.666 3.960 0.001 0.000 0.214 589 G HA3 -0.294 3.666 3.960 0.001 0.000 0.214 589 G C -0.296 174.774 174.900 0.284 0.000 1.151 589 G CA 0.315 45.520 45.100 0.175 0.000 0.684 589 G HN 0.682 nan 8.290 nan 0.000 0.518 590 Q N -0.680 119.284 119.800 0.272 0.000 2.544 590 Q HA 0.801 5.142 4.340 0.001 0.000 0.291 590 Q C -1.592 174.604 176.000 0.328 0.000 1.068 590 Q CA -0.808 55.190 55.803 0.325 0.000 0.785 590 Q CB 2.869 31.700 28.738 0.156 0.000 1.481 590 Q HN 1.025 nan 8.270 nan 0.000 0.430 591 V N 1.822 121.953 119.914 0.362 0.000 2.638 591 V HA 0.539 4.660 4.120 0.001 0.000 0.306 591 V C -1.688 174.559 176.094 0.255 0.000 1.052 591 V CA -0.657 61.810 62.300 0.278 0.000 0.885 591 V CB 1.834 33.800 31.823 0.238 0.000 0.999 591 V HN 0.761 nan 8.190 nan 0.000 0.424 592 L N 6.288 127.634 121.223 0.205 0.000 2.334 592 L HA 0.657 4.997 4.340 0.001 0.000 0.270 592 L C -0.450 176.505 176.870 0.142 0.000 1.018 592 L CA -0.286 54.639 54.840 0.141 0.000 0.811 592 L CB 1.789 43.927 42.059 0.132 0.000 1.271 592 L HN 0.537 nan 8.230 nan 0.000 0.443 593 L N 2.843 124.122 121.223 0.093 0.000 2.349 593 L HA 0.478 4.819 4.340 0.001 0.000 0.278 593 L C -1.361 175.548 176.870 0.065 0.000 0.996 593 L CA -0.600 54.297 54.840 0.095 0.000 0.825 593 L CB 1.615 43.741 42.059 0.111 0.000 1.243 593 L HN 0.303 nan 8.230 nan 0.000 0.412 594 L N 4.684 125.947 121.223 0.066 0.000 2.280 594 L HA 0.481 4.821 4.340 0.001 0.000 0.287 594 L C 0.232 177.120 176.870 0.030 0.000 1.023 594 L CA -0.112 54.758 54.840 0.050 0.000 0.819 594 L CB 1.336 43.434 42.059 0.066 0.000 1.212 594 L HN 0.457 nan 8.230 nan 0.000 0.420 595 R N 0.662 121.171 120.500 0.014 0.000 2.560 595 R HA 0.587 4.927 4.340 0.001 0.000 0.270 595 R C -0.113 176.188 176.300 0.003 0.000 1.074 595 R CA -0.613 55.484 56.100 -0.005 0.000 1.140 595 R CB 0.688 30.973 30.300 -0.024 0.000 1.073 595 R HN 0.632 nan 8.270 nan 0.000 0.527 596 T N 0.162 114.713 114.554 -0.005 0.000 2.738 596 T HA 0.293 4.644 4.350 0.001 0.000 0.298 596 T C 0.207 174.907 174.700 0.001 0.000 0.962 596 T CA -1.097 61.000 62.100 -0.006 0.000 0.972 596 T CB 0.781 69.641 68.868 -0.014 0.000 0.928 596 T HN 0.219 nan 8.240 nan 0.000 0.474 597 R N 3.766 124.274 120.500 0.013 0.000 2.401 597 R HA 0.245 4.586 4.340 0.001 0.000 0.299 597 R C -2.644 173.679 176.300 0.038 0.000 1.064 597 R CA -2.440 53.678 56.100 0.030 0.000 1.000 597 R CB -0.239 30.089 30.300 0.047 0.000 0.973 597 R HN 0.489 nan 8.270 nan 0.000 0.438 598 P HA -0.075 nan 4.420 nan 0.000 0.261 598 P C -0.220 177.134 177.300 0.088 0.000 1.183 598 P CA 0.156 63.283 63.100 0.045 0.000 0.761 598 P CB 0.386 32.102 31.700 0.027 0.000 0.785 599 V N 2.937 122.929 119.914 0.130 0.000 2.294 599 V HA 0.487 4.608 4.120 0.001 0.000 0.272 599 V C -0.326 175.914 176.094 0.243 0.000 1.027 599 V CA -1.028 61.421 62.300 0.248 0.000 0.823 599 V CB 0.162 32.212 31.823 0.377 0.000 1.030 599 V HN 0.190 nan 8.190 nan 0.000 0.457 600 L N 3.649 124.961 121.223 0.149 0.000 2.334 600 L HA 1.017 5.357 4.340 0.001 0.000 0.275 600 L C -0.318 176.673 176.870 0.202 0.000 1.036 600 L CA -1.061 53.769 54.840 -0.018 0.000 0.807 600 L CB 0.792 42.802 42.059 -0.082 0.000 1.231 600 L HN 0.862 nan 8.230 nan 0.000 0.438 601 W N 1.033 122.366 121.300 0.056 0.000 2.975 601 W HA 0.897 5.557 4.660 0.001 0.000 0.342 601 W C -1.553 174.982 176.519 0.026 0.000 1.168 601 W CA -1.438 55.950 57.345 0.072 0.000 1.141 601 W CB 1.098 30.607 29.460 0.081 0.000 1.445 601 W HN 0.536 nan 8.180 nan 0.000 0.560 602 V N 1.558 121.622 119.914 0.251 0.000 2.914 602 V HA 0.941 5.062 4.120 0.001 0.000 0.314 602 V C -0.274 175.786 176.094 -0.058 0.000 1.084 602 V CA -0.622 61.664 62.300 -0.023 0.000 0.963 602 V CB 1.782 33.605 31.823 0.001 0.000 1.025 602 V HN 1.087 nan 8.190 nan 0.000 0.432 603 G N 2.663 111.186 108.800 -0.462 0.000 2.400 603 G HA2 0.658 4.619 3.960 0.001 0.000 0.333 603 G HA3 0.658 4.619 3.960 0.001 0.000 0.333 603 G C -1.379 173.382 174.900 -0.233 0.000 1.143 603 G CA -0.399 44.460 45.100 -0.401 0.000 0.914 603 G HN 1.139 nan 8.290 nan 0.000 0.480 604 V N 0.724 120.538 119.914 -0.167 0.000 2.962 604 V HA 0.872 4.993 4.120 0.001 0.000 0.313 604 V C -0.429 175.602 176.094 -0.105 0.000 1.099 604 V CA -0.423 61.794 62.300 -0.139 0.000 0.971 604 V CB 2.452 34.059 31.823 -0.359 0.000 1.028 604 V HN 1.297 nan 8.190 nan 0.000 0.430 605 S N 6.202 121.869 115.700 -0.055 0.000 2.538 605 S HA 0.840 5.310 4.470 0.001 0.000 0.288 605 S C -0.924 173.630 174.600 -0.077 0.000 1.108 605 S CA -0.808 57.350 58.200 -0.069 0.000 0.971 605 S CB 1.758 64.915 63.200 -0.072 0.000 1.041 605 S HN 0.739 nan 8.310 nan 0.000 0.483 606 M N 2.256 121.804 119.600 -0.087 0.000 2.395 606 M HA 0.540 5.021 4.480 0.001 0.000 0.307 606 M C -0.818 175.365 176.300 -0.195 0.000 1.091 606 M CA -0.260 54.958 55.300 -0.137 0.000 0.919 606 M CB 2.538 35.070 32.600 -0.113 0.000 1.662 606 M HN 0.922 nan 8.290 nan 0.000 0.440 607 Q N 1.601 121.213 119.800 -0.314 0.000 2.435 607 Q HA 0.548 4.888 4.340 0.001 0.000 0.282 607 Q C -2.058 173.676 176.000 -0.442 0.000 1.020 607 Q CA -0.585 55.048 55.803 -0.283 0.000 0.820 607 Q CB 2.432 31.102 28.738 -0.113 0.000 1.436 607 Q HN 0.644 nan 8.270 nan 0.000 0.395 608 F N 3.394 123.363 119.950 0.032 0.000 2.366 608 F HA 0.386 4.914 4.527 0.001 0.000 0.366 608 F C 1.125 176.930 175.800 0.008 0.000 1.096 608 F CA -0.560 57.455 58.000 0.024 0.000 1.060 608 F CB 0.586 39.590 39.000 0.008 0.000 1.282 608 F HN 0.632 nan 8.300 nan 0.000 0.450 609 I N 2.571 123.228 120.570 0.145 0.000 2.103 609 I HA -0.239 3.931 4.170 0.001 0.000 0.241 609 I C -1.097 175.068 176.117 0.079 0.000 1.036 609 I CA 1.204 62.552 61.300 0.080 0.000 1.300 609 I CB -1.002 37.031 38.000 0.054 0.000 1.010 609 I HN 0.310 nan 8.210 nan 0.000 0.406 610 P HA 0.062 nan 4.420 nan 0.000 0.268 610 P C 0.259 177.591 177.300 0.053 0.000 1.282 610 P CA 0.300 63.426 63.100 0.043 0.000 0.880 610 P CB 0.916 32.622 31.700 0.011 0.000 0.971 611 A N 4.858 127.708 122.820 0.050 0.000 1.863 611 A HA -0.236 4.085 4.320 0.001 0.000 0.218 611 A C 1.071 178.665 177.584 0.017 0.000 1.233 611 A CA 1.787 53.860 52.037 0.060 0.000 0.655 611 A CB -0.723 18.301 19.000 0.041 0.000 0.839 611 A HN 0.616 nan 8.150 nan 0.000 0.454 612 E N -2.029 118.154 120.200 -0.028 0.000 2.538 612 E HA 0.717 5.067 4.350 0.001 0.000 0.232 612 E C -0.998 175.520 176.600 -0.137 0.000 0.830 612 E CA -1.038 55.307 56.400 -0.092 0.000 0.916 612 E CB 0.836 30.513 29.700 -0.038 0.000 1.567 612 E HN 0.264 nan 8.360 nan 0.000 0.389 613 I N 1.141 121.610 120.570 -0.168 0.000 2.377 613 I HA 0.230 4.401 4.170 0.001 0.000 0.293 613 I C -1.998 174.093 176.117 -0.042 0.000 0.987 613 I CA -2.421 58.793 61.300 -0.143 0.000 1.185 613 I CB 2.055 39.905 38.000 -0.251 0.000 1.341 613 I HN 0.388 nan 8.210 nan 0.000 0.455 614 P HA 0.020 nan 4.420 nan 0.000 0.249 614 P C 0.618 177.909 177.300 -0.015 0.000 1.241 614 P CA 0.179 63.268 63.100 -0.018 0.000 0.781 614 P CB 0.091 31.785 31.700 -0.011 0.000 1.088 615 R N -1.928 118.583 120.500 0.019 0.000 3.922 615 R HA -0.205 4.136 4.340 0.001 0.000 0.447 615 R C 1.155 177.520 176.300 0.109 0.000 1.035 615 R CA 1.008 57.116 56.100 0.014 0.000 1.289 615 R CB -2.186 28.008 30.300 -0.177 0.000 1.906 615 R HN 0.105 nan 8.270 nan 0.000 0.540 616 S N -0.208 115.540 115.700 0.080 0.000 2.335 616 S HA -0.004 4.467 4.470 0.001 0.000 0.216 616 S C 1.249 175.908 174.600 0.099 0.000 1.032 616 S CA 1.277 59.518 58.200 0.069 0.000 1.000 616 S CB 0.024 63.245 63.200 0.036 0.000 0.928 616 S HN 0.566 nan 8.310 nan 0.000 0.434 617 A N 0.333 123.212 122.820 0.098 0.000 3.105 617 A HA 0.475 4.795 4.320 0.001 0.000 0.272 617 A C 0.609 178.274 177.584 0.134 0.000 1.466 617 A CA -0.459 51.629 52.037 0.085 0.000 1.101 617 A CB -0.684 18.341 19.000 0.041 0.000 1.065 617 A HN 0.437 nan 8.150 nan 0.000 0.643 618 F N -0.200 119.769 119.950 0.031 0.000 2.231 618 F HA 0.179 4.707 4.527 0.001 0.000 0.267 618 F C 1.852 177.671 175.800 0.031 0.000 1.108 618 F CA 1.427 59.459 58.000 0.054 0.000 1.098 618 F CB 0.184 39.218 39.000 0.055 0.000 1.088 618 F HN 0.321 nan 8.300 nan 0.000 0.541 619 E N 0.149 120.492 120.200 0.238 0.000 2.385 619 E HA 0.055 4.406 4.350 0.001 0.000 0.194 619 E C 0.896 177.513 176.600 0.028 0.000 1.013 619 E CA 0.583 57.016 56.400 0.055 0.000 0.866 619 E CB 0.139 29.995 29.700 0.261 0.000 0.832 619 E HN 0.617 nan 8.360 nan 0.000 0.500 620 c N -0.662 117.975 118.600 0.063 0.000 0.168 620 c HA -0.246 4.324 4.570 0.001 0.000 0.017 620 c C -0.063 174.041 174.090 0.024 0.000 0.171 620 c CA -0.095 56.253 56.329 0.032 0.000 0.499 620 c CB -0.720 41.789 42.510 -0.001 0.000 3.212 620 c HN 0.591 nan 8.230 nan 0.000 1.118 621 R N -0.213 120.295 120.500 0.013 0.000 2.774 621 R HA 0.511 4.852 4.340 0.001 0.000 0.279 621 R C -0.972 175.330 176.300 0.005 0.000 1.022 621 R CA -0.214 55.892 56.100 0.011 0.000 0.855 621 R CB 0.833 31.143 30.300 0.017 0.000 1.279 621 R HN 0.875 nan 8.270 nan 0.000 0.485 622 E N 1.412 121.615 120.200 0.004 0.000 3.157 622 E HA 0.068 4.419 4.350 0.001 0.000 0.203 622 E C -1.130 175.472 176.600 0.002 0.000 0.982 622 E CA -0.129 56.272 56.400 0.001 0.000 1.217 622 E CB 1.317 31.016 29.700 -0.002 0.000 1.123 622 E HN 0.392 nan 8.360 nan 0.000 0.457 623 Q N 0.443 120.246 119.800 0.004 0.000 2.316 623 Q HA 0.496 4.836 4.340 0.001 0.000 0.264 623 Q C 0.647 176.650 176.000 0.005 0.000 0.987 623 Q CA -0.581 55.225 55.803 0.004 0.000 0.852 623 Q CB 1.644 30.385 28.738 0.005 0.000 1.287 623 Q HN 0.004 nan 8.270 nan 0.000 0.448 624 V N -0.718 119.198 119.914 0.004 0.000 0.691 624 V HA -0.294 3.827 4.120 0.001 0.000 0.092 624 V C 0.341 176.438 176.094 0.004 0.000 0.769 624 V CA 0.717 63.020 62.300 0.004 0.000 3.097 624 V CB -2.368 29.459 31.823 0.006 0.000 0.181 624 V HN 1.392 nan 8.190 nan 0.000 0.064 625 V N -2.018 117.900 119.914 0.005 0.000 3.036 625 V HA 0.776 4.897 4.120 0.001 0.000 0.308 625 V C 0.708 176.804 176.094 0.004 0.000 1.070 625 V CA 0.225 62.528 62.300 0.004 0.000 1.056 625 V CB 1.302 33.129 31.823 0.006 0.000 1.084 625 V HN 1.597 nan 8.190 nan 0.000 0.471 626 S N 2.015 117.716 115.700 0.002 0.000 2.423 626 S HA 0.203 4.674 4.470 0.001 0.000 0.302 626 S C 0.104 174.707 174.600 0.005 0.000 1.143 626 S CA -0.075 58.126 58.200 0.002 0.000 1.080 626 S CB -0.619 62.581 63.200 -0.001 0.000 1.081 626 S HN 0.834 nan 8.310 nan 0.000 0.522 627 E N 3.261 123.465 120.200 0.007 0.000 1.936 627 E HA 0.056 4.406 4.350 0.001 0.000 0.267 627 E C -0.273 176.331 176.600 0.007 0.000 1.076 627 E CA -0.188 56.217 56.400 0.008 0.000 0.870 627 E CB 0.399 30.106 29.700 0.011 0.000 1.093 627 E HN 0.585 nan 8.360 nan 0.000 0.411 628 Q N 1.985 121.788 119.800 0.005 0.000 2.300 628 Q HA 0.060 4.401 4.340 0.001 0.000 0.262 628 Q C 0.037 176.038 176.000 0.001 0.000 1.109 628 Q CA 0.136 55.939 55.803 0.001 0.000 0.905 628 Q CB 0.574 29.312 28.738 -0.001 0.000 1.280 628 Q HN 0.339 nan 8.270 nan 0.000 0.426 629 T N 2.287 116.840 114.554 -0.001 0.000 2.908 629 T HA 0.030 4.380 4.350 0.001 0.000 0.325 629 T C -0.255 174.441 174.700 -0.007 0.000 1.092 629 T CA 0.061 62.159 62.100 -0.004 0.000 1.125 629 T CB 0.249 69.111 68.868 -0.010 0.000 1.016 629 T HN 0.307 nan 8.240 nan 0.000 0.550 630 L N 4.905 126.128 121.223 -0.000 0.000 2.337 630 L HA 0.498 4.839 4.340 0.001 0.000 0.269 630 L C -0.683 176.194 176.870 0.012 0.000 1.018 630 L CA -0.333 54.513 54.840 0.010 0.000 0.876 630 L CB 0.692 42.763 42.059 0.021 0.000 1.236 630 L HN 0.385 nan 8.230 nan 0.000 0.436 631 V N 4.249 124.167 119.914 0.006 0.000 2.644 631 V HA 0.412 4.533 4.120 0.001 0.000 0.295 631 V C 0.113 176.259 176.094 0.088 0.000 1.053 631 V CA -0.524 61.789 62.300 0.021 0.000 0.987 631 V CB 1.571 33.373 31.823 -0.035 0.000 1.006 631 V HN 0.669 nan 8.190 nan 0.000 0.472 632 Q N 1.692 121.564 119.800 0.121 0.000 2.312 632 Q HA 0.512 4.852 4.340 0.001 0.000 0.263 632 Q C -0.749 175.395 176.000 0.240 0.000 0.995 632 Q CA -0.270 55.626 55.803 0.156 0.000 0.853 632 Q CB 2.115 30.908 28.738 0.091 0.000 1.300 632 Q HN 0.718 nan 8.270 nan 0.000 0.448 633 S N 2.761 118.625 115.700 0.272 0.000 2.640 633 S HA 0.305 4.775 4.470 0.001 0.000 0.320 633 S C -1.065 173.609 174.600 0.123 0.000 1.097 633 S CA -0.689 57.643 58.200 0.219 0.000 1.092 633 S CB 0.529 63.952 63.200 0.373 0.000 0.988 633 S HN 0.588 nan 8.310 nan 0.000 0.470 634 N N 5.439 124.129 118.700 -0.016 0.000 2.424 634 N HA 0.461 5.202 4.740 0.001 0.000 0.271 634 N C -1.005 174.477 175.510 -0.046 0.000 0.985 634 N CA -0.328 52.704 53.050 -0.030 0.000 0.921 634 N CB 0.627 39.077 38.487 -0.061 0.000 1.149 634 N HN 0.671 nan 8.380 nan 0.000 0.492 635 I N 1.764 122.348 120.570 0.024 0.000 2.603 635 I HA 0.485 4.656 4.170 0.001 0.000 0.300 635 I C -0.302 175.828 176.117 0.021 0.000 1.017 635 I CA -0.816 60.501 61.300 0.027 0.000 1.098 635 I CB 1.905 39.969 38.000 0.106 0.000 1.279 635 I HN 0.323 nan 8.210 nan 0.000 0.437 636 c N 5.104 123.706 118.600 0.005 0.000 2.802 636 c HA 0.723 5.294 4.570 0.001 0.000 0.307 636 c C -0.514 173.615 174.090 0.065 0.000 1.222 636 c CA -0.783 55.558 56.329 0.020 0.000 1.580 636 c CB 1.786 44.272 42.510 -0.040 0.000 2.119 636 c HN 0.558 nan 8.230 nan 0.000 0.479 637 L N 2.754 124.051 121.223 0.122 0.000 2.438 637 L HA 0.641 4.982 4.340 0.001 0.000 0.270 637 L C -1.144 175.849 176.870 0.206 0.000 0.972 637 L CA -0.483 54.423 54.840 0.111 0.000 0.831 637 L CB 1.398 43.441 42.059 -0.026 0.000 1.273 637 L HN 0.898 nan 8.230 nan 0.000 0.405 638 Y N 2.506 122.775 120.300 -0.051 0.000 2.513 638 Y HA 0.806 5.357 4.550 0.001 0.000 0.340 638 Y C -1.018 174.859 175.900 -0.038 0.000 1.055 638 Y CA -1.365 56.715 58.100 -0.033 0.000 1.020 638 Y CB 1.392 39.833 38.460 -0.032 0.000 1.301 638 Y HN 0.414 nan 8.280 nan 0.000 0.453 639 I N 1.360 121.828 120.570 -0.170 0.000 2.441 639 I HA 0.530 4.701 4.170 0.001 0.000 0.295 639 I C -0.595 175.393 176.117 -0.216 0.000 0.994 639 I CA -0.605 60.533 61.300 -0.269 0.000 1.144 639 I CB 2.135 40.033 38.000 -0.171 0.000 1.314 639 I HN 0.891 nan 8.210 nan 0.000 0.445 640 D N 3.657 123.880 120.400 -0.295 0.000 2.403 640 D HA 0.027 4.668 4.640 0.001 0.000 0.280 640 D C 0.317 176.486 176.300 -0.218 0.000 1.091 640 D CA 0.036 53.932 54.000 -0.172 0.000 0.884 640 D CB 0.434 41.179 40.800 -0.092 0.000 1.427 640 D HN 0.499 nan 8.370 nan 0.000 0.504 641 K N 1.150 121.292 120.400 -0.430 0.000 2.268 641 K HA 0.284 4.604 4.320 0.001 0.000 0.276 641 K C 0.983 177.288 176.600 -0.491 0.000 1.080 641 K CA -0.367 55.635 56.287 -0.475 0.000 0.910 641 K CB 0.886 32.959 32.500 -0.712 0.000 1.163 641 K HN 0.076 nan 8.250 nan 0.000 0.465 642 R N 1.583 121.930 120.500 -0.254 0.000 2.591 642 R HA 0.006 4.346 4.340 0.001 0.000 0.288 642 R C 0.900 177.138 176.300 -0.103 0.000 0.947 642 R CA 0.609 56.601 56.100 -0.180 0.000 1.085 642 R CB -0.162 30.060 30.300 -0.130 0.000 1.618 642 R HN 0.506 nan 8.270 nan 0.000 0.524 643 S N 2.835 118.490 115.700 -0.075 0.000 2.380 643 S HA -0.322 4.148 4.470 0.001 0.000 0.229 643 S C 1.905 176.492 174.600 -0.023 0.000 1.043 643 S CA 1.770 59.951 58.200 -0.033 0.000 1.038 643 S CB -0.396 62.800 63.200 -0.006 0.000 0.872 643 S HN 0.648 nan 8.310 nan 0.000 0.456 644 K N 1.708 122.095 120.400 -0.020 0.000 2.007 644 K HA 0.017 4.337 4.320 0.001 0.000 0.206 644 K C 1.614 178.203 176.600 -0.019 0.000 1.047 644 K CA 1.351 57.633 56.287 -0.009 0.000 0.937 644 K CB -0.578 31.927 32.500 0.008 0.000 0.718 644 K HN 0.254 nan 8.250 nan 0.000 0.438 645 N N 1.179 119.860 118.700 -0.032 0.000 2.459 645 N HA 0.075 4.816 4.740 0.001 0.000 0.181 645 N C 0.400 175.891 175.510 -0.031 0.000 1.046 645 N CA 0.619 53.650 53.050 -0.032 0.000 0.904 645 N CB -0.441 38.021 38.487 -0.041 0.000 0.964 645 N HN 0.218 nan 8.380 nan 0.000 0.444 646 L N -0.980 120.223 121.223 -0.034 0.000 0.600 646 L HA -0.289 4.051 4.340 0.001 0.000 0.356 646 L C 0.253 177.106 176.870 -0.029 0.000 1.022 646 L CA -0.049 54.774 54.840 -0.029 0.000 1.223 646 L CB -0.593 41.454 42.059 -0.020 0.000 0.047 646 L HN 0.062 nan 8.230 nan 0.000 0.094 647 L N 0.009 121.218 121.223 -0.024 0.000 2.444 647 L HA 0.477 4.818 4.340 0.001 0.000 0.251 647 L C 1.210 178.068 176.870 -0.020 0.000 1.247 647 L CA 0.966 55.793 54.840 -0.022 0.000 0.825 647 L CB -0.107 41.942 42.059 -0.017 0.000 1.129 647 L HN 0.953 nan 8.230 nan 0.000 0.527 648 G N -0.173 108.616 108.800 -0.018 0.000 2.685 648 G HA2 -0.193 3.768 3.960 0.001 0.000 0.387 648 G HA3 -0.193 3.768 3.960 0.001 0.000 0.387 648 G C -0.409 174.479 174.900 -0.019 0.000 1.324 648 G CA -0.502 44.589 45.100 -0.016 0.000 0.878 648 G HN 0.660 nan 8.290 nan 0.000 0.527 649 S N -0.071 115.618 115.700 -0.018 0.000 2.558 649 S HA 0.200 4.670 4.470 0.001 0.000 0.297 649 S C 1.499 176.085 174.600 -0.024 0.000 1.283 649 S CA 1.758 59.945 58.200 -0.022 0.000 1.044 649 S CB 0.684 63.870 63.200 -0.022 0.000 0.789 649 S HN 1.776 nan 8.310 nan 0.000 0.500 650 R N 1.127 121.611 120.500 -0.027 0.000 1.190 650 R HA -0.259 4.081 4.340 0.001 0.000 0.019 650 R C 1.149 177.433 176.300 -0.026 0.000 0.960 650 R CA 1.696 57.781 56.100 -0.025 0.000 1.987 650 R CB -1.817 28.470 30.300 -0.021 0.000 0.132 650 R HN 0.674 nan 8.270 nan 0.000 0.732 651 D N 0.171 120.554 120.400 -0.029 0.000 2.271 651 D HA -0.086 4.555 4.640 0.001 0.000 0.207 651 D C 1.358 177.636 176.300 -0.037 0.000 0.983 651 D CA 1.732 55.709 54.000 -0.039 0.000 0.878 651 D CB 0.105 40.880 40.800 -0.041 0.000 0.920 651 D HN 0.262 nan 8.370 nan 0.000 0.479 652 L N -0.048 121.159 121.223 -0.027 0.000 2.597 652 L HA 0.203 4.543 4.340 0.001 0.000 0.188 652 L C 0.992 177.850 176.870 -0.020 0.000 1.333 652 L CA 0.275 55.102 54.840 -0.022 0.000 1.543 652 L CB -1.318 40.732 42.059 -0.017 0.000 1.504 652 L HN -0.043 nan 8.230 nan 0.000 0.813 653 Q N 1.126 120.914 119.800 -0.020 0.000 2.308 653 Q HA 0.141 4.481 4.340 0.001 0.000 0.313 653 Q C -0.919 175.067 176.000 -0.023 0.000 1.075 653 Q CA 0.528 56.317 55.803 -0.022 0.000 0.995 653 Q CB 0.255 28.976 28.738 -0.027 0.000 1.107 653 Q HN 0.575 nan 8.270 nan 0.000 0.380 654 S N 1.784 117.472 115.700 -0.021 0.000 2.543 654 S HA 0.482 4.953 4.470 0.001 0.000 0.274 654 S C -1.149 173.439 174.600 -0.020 0.000 1.149 654 S CA -1.007 57.184 58.200 -0.016 0.000 0.866 654 S CB 1.842 65.041 63.200 -0.002 0.000 1.111 654 S HN 0.434 nan 8.310 nan 0.000 0.457 655 S N 0.749 116.440 115.700 -0.015 0.000 2.654 655 S HA 0.874 5.345 4.470 0.001 0.000 0.283 655 S C -0.699 173.903 174.600 0.003 0.000 1.180 655 S CA -0.605 57.585 58.200 -0.018 0.000 1.021 655 S CB 1.348 64.538 63.200 -0.017 0.000 1.018 655 S HN 0.820 nan 8.310 nan 0.000 0.532 656 V N 1.576 121.492 119.914 0.003 0.000 2.971 656 V HA 0.505 4.626 4.120 0.001 0.000 0.309 656 V C -0.413 175.705 176.094 0.040 0.000 1.130 656 V CA -1.007 61.319 62.300 0.044 0.000 0.964 656 V CB 2.458 34.328 31.823 0.078 0.000 1.029 656 V HN 1.009 nan 8.190 nan 0.000 0.427 657 T N 2.572 117.161 114.554 0.057 0.000 2.749 657 T HA 0.800 5.150 4.350 0.001 0.000 0.287 657 T C -0.679 174.070 174.700 0.081 0.000 0.970 657 T CA -0.467 61.661 62.100 0.046 0.000 0.980 657 T CB 0.770 69.653 68.868 0.025 0.000 0.924 657 T HN 0.366 nan 8.240 nan 0.000 0.456 658 L N 2.740 123.996 121.223 0.056 0.000 2.325 658 L HA 0.594 4.935 4.340 0.001 0.000 0.278 658 L C -0.531 176.340 176.870 0.003 0.000 1.023 658 L CA -0.823 54.054 54.840 0.062 0.000 0.811 658 L CB 1.519 43.599 42.059 0.035 0.000 1.249 658 L HN 0.634 nan 8.230 nan 0.000 0.431 659 D N 3.549 123.967 120.400 0.030 0.000 2.363 659 D HA 0.364 5.005 4.640 0.001 0.000 0.258 659 D C -0.625 175.693 176.300 0.029 0.000 1.259 659 D CA -0.189 53.815 54.000 0.006 0.000 0.921 659 D CB 1.103 41.933 40.800 0.050 0.000 1.201 659 D HN 0.195 nan 8.370 nan 0.000 0.524 660 L N 0.922 122.100 121.223 -0.075 0.000 2.371 660 L HA 0.771 5.111 4.340 0.001 0.000 0.272 660 L C 0.419 177.395 176.870 0.177 0.000 1.124 660 L CA -0.633 54.219 54.840 0.021 0.000 0.816 660 L CB 1.014 42.973 42.059 -0.167 0.000 1.129 660 L HN 0.262 nan 8.230 nan 0.000 0.448 661 A N 3.817 126.792 122.820 0.259 0.000 2.488 661 A HA 0.737 5.058 4.320 0.001 0.000 0.295 661 A C -1.183 176.509 177.584 0.180 0.000 1.045 661 A CA -0.516 51.662 52.037 0.235 0.000 0.703 661 A CB 1.269 20.352 19.000 0.138 0.000 1.271 661 A HN 0.481 nan 8.150 nan 0.000 0.400 662 L N 1.279 122.568 121.223 0.111 0.000 2.334 662 L HA 0.534 4.875 4.340 0.001 0.000 0.275 662 L C -0.050 176.835 176.870 0.025 0.000 1.036 662 L CA -0.150 54.714 54.840 0.039 0.000 0.807 662 L CB 0.846 42.854 42.059 -0.085 0.000 1.231 662 L HN 0.705 nan 8.230 nan 0.000 0.438 663 D N 1.667 122.085 120.400 0.030 0.000 2.829 663 D HA -0.176 4.465 4.640 0.001 0.000 0.219 663 D C -1.761 174.546 176.300 0.012 0.000 1.239 663 D CA 0.312 54.324 54.000 0.020 0.000 0.685 663 D CB -0.366 40.438 40.800 0.007 0.000 0.950 663 D HN 0.399 nan 8.370 nan 0.000 0.398 664 P HA -0.065 nan 4.420 nan 0.000 0.215 664 P C 1.670 178.962 177.300 -0.012 0.000 1.157 664 P CA 1.521 64.623 63.100 0.004 0.000 0.863 664 P CB 0.134 31.830 31.700 -0.007 0.000 0.787 665 G N 0.029 108.818 108.800 -0.018 0.000 2.509 665 G HA2 -0.156 3.805 3.960 0.001 0.000 0.218 665 G HA3 -0.156 3.805 3.960 0.001 0.000 0.218 665 G C 0.627 175.514 174.900 -0.022 0.000 1.124 665 G CA 0.003 45.087 45.100 -0.027 0.000 0.776 665 G HN 0.326 nan 8.290 nan 0.000 0.547 666 R N -0.341 120.149 120.500 -0.017 0.000 2.604 666 R HA 0.481 4.822 4.340 0.001 0.000 0.287 666 R C -0.322 175.968 176.300 -0.016 0.000 0.970 666 R CA -0.943 55.146 56.100 -0.018 0.000 0.946 666 R CB 1.065 31.354 30.300 -0.019 0.000 1.127 666 R HN -0.001 nan 8.270 nan 0.000 0.473 667 L N 2.006 123.218 121.223 -0.018 0.000 2.779 667 L HA 0.111 4.452 4.340 0.001 0.000 0.239 667 L C -0.070 176.791 176.870 -0.017 0.000 1.245 667 L CA 0.010 54.840 54.840 -0.015 0.000 1.064 667 L CB 0.044 42.094 42.059 -0.015 0.000 1.350 667 L HN 0.778 nan 8.230 nan 0.000 0.455 668 S N -1.669 114.020 115.700 -0.019 0.000 2.204 668 S HA 0.382 4.852 4.470 0.001 0.000 0.147 668 S C -2.579 172.008 174.600 -0.021 0.000 1.711 668 S CA -1.329 56.858 58.200 -0.022 0.000 1.274 668 S CB 0.558 63.741 63.200 -0.029 0.000 1.257 668 S HN -0.097 nan 8.310 nan 0.000 0.404 669 P HA 0.137 nan 4.420 nan 0.000 0.255 669 P C 0.430 177.712 177.300 -0.029 0.000 1.173 669 P CA 0.065 63.152 63.100 -0.022 0.000 0.780 669 P CB 0.316 32.004 31.700 -0.019 0.000 0.758 670 R N 2.409 122.893 120.500 -0.027 0.000 2.328 670 R HA 0.376 4.717 4.340 0.001 0.000 0.200 670 R C 0.340 176.614 176.300 -0.042 0.000 0.983 670 R CA 0.409 56.498 56.100 -0.019 0.000 1.062 670 R CB -0.150 30.162 30.300 0.020 0.000 0.956 670 R HN 0.607 nan 8.270 nan 0.000 0.479 671 A N -2.159 120.617 122.820 -0.074 0.000 2.462 671 A HA 0.512 4.832 4.320 0.001 0.000 0.299 671 A C -1.290 176.209 177.584 -0.141 0.000 1.047 671 A CA -0.256 51.714 52.037 -0.112 0.000 0.581 671 A CB 0.514 19.419 19.000 -0.158 0.000 1.466 671 A HN 0.188 nan 8.150 nan 0.000 0.616 672 T N -2.190 112.250 114.554 -0.190 0.000 2.957 672 T HA 0.626 4.976 4.350 0.001 0.000 0.336 672 T C -0.834 173.738 174.700 -0.213 0.000 1.462 672 T CA -0.546 61.447 62.100 -0.179 0.000 1.073 672 T CB 0.376 69.222 68.868 -0.037 0.000 1.319 672 T HN 0.918 nan 8.240 nan 0.000 0.485 673 F N 1.579 121.548 119.950 0.033 0.000 2.410 673 F HA 0.411 4.939 4.527 0.001 0.000 0.334 673 F C 2.181 178.012 175.800 0.052 0.000 1.134 673 F CA -0.484 57.545 58.000 0.049 0.000 1.227 673 F CB 0.950 39.964 39.000 0.024 0.000 1.194 673 F HN 0.779 nan 8.300 nan 0.000 0.571 674 Q N 0.842 120.800 119.800 0.263 0.000 2.123 674 Q HA -0.150 4.191 4.340 0.001 0.000 0.196 674 Q C 1.889 177.980 176.000 0.152 0.000 0.958 674 Q CA 1.088 56.989 55.803 0.163 0.000 0.841 674 Q CB 0.021 28.839 28.738 0.135 0.000 0.915 674 Q HN 0.764 nan 8.270 nan 0.000 0.455 675 E N -0.380 119.928 120.200 0.180 0.000 2.171 675 E HA -0.185 4.166 4.350 0.001 0.000 0.197 675 E C 1.468 178.127 176.600 0.099 0.000 0.997 675 E CA 1.918 58.398 56.400 0.132 0.000 0.810 675 E CB -0.137 29.651 29.700 0.146 0.000 0.738 675 E HN 0.300 nan 8.360 nan 0.000 0.467 676 T N -2.385 112.237 114.554 0.113 0.000 2.955 676 T HA 0.162 4.512 4.350 0.001 0.000 0.251 676 T C 0.803 175.558 174.700 0.092 0.000 1.002 676 T CA 0.679 62.830 62.100 0.085 0.000 0.970 676 T CB -0.125 68.782 68.868 0.065 0.000 1.091 676 T HN 0.269 nan 8.240 nan 0.000 0.495 677 K N -0.111 120.360 120.400 0.120 0.000 3.609 677 K HA -0.147 4.173 4.320 0.001 0.000 0.277 677 K C -0.336 176.316 176.600 0.086 0.000 1.196 677 K CA 0.893 57.234 56.287 0.090 0.000 1.022 677 K CB -1.369 31.168 32.500 0.061 0.000 1.292 677 K HN 0.344 nan 8.250 nan 0.000 0.484 678 N N 0.295 119.062 118.700 0.112 0.000 2.347 678 N HA 0.110 4.850 4.740 0.001 0.000 0.253 678 N C 0.812 176.398 175.510 0.127 0.000 1.274 678 N CA 0.356 53.468 53.050 0.103 0.000 0.941 678 N CB 0.494 39.041 38.487 0.099 0.000 1.200 678 N HN 0.280 nan 8.380 nan 0.000 0.514 679 R N -1.354 119.200 120.500 0.090 0.000 2.313 679 R HA 0.216 4.556 4.340 0.001 0.000 0.199 679 R C -0.330 176.073 176.300 0.171 0.000 0.958 679 R CA 0.117 56.250 56.100 0.055 0.000 1.047 679 R CB -0.473 29.842 30.300 0.025 0.000 0.955 679 R HN 0.420 nan 8.270 nan 0.000 0.481 680 S N -0.707 115.174 115.700 0.301 0.000 2.615 680 S HA 0.716 5.187 4.470 0.001 0.000 0.269 680 S C -1.112 173.598 174.600 0.182 0.000 1.161 680 S CA -0.807 57.618 58.200 0.375 0.000 0.817 680 S CB 1.527 64.835 63.200 0.179 0.000 1.131 680 S HN 0.337 nan 8.310 nan 0.000 0.467 681 L N -1.954 119.190 121.223 -0.132 0.000 2.671 681 L HA 1.006 5.346 4.340 0.001 0.000 0.259 681 L C -0.927 175.779 176.870 -0.272 0.000 1.021 681 L CA -0.435 54.245 54.840 -0.266 0.000 0.871 681 L CB 1.502 43.252 42.059 -0.515 0.000 1.472 681 L HN 0.908 nan 8.230 nan 0.000 0.410 682 S N 0.356 115.946 115.700 -0.182 0.000 2.540 682 S HA 0.872 5.343 4.470 0.001 0.000 0.275 682 S C -1.339 173.209 174.600 -0.087 0.000 1.123 682 S CA -0.660 57.464 58.200 -0.127 0.000 0.907 682 S CB 1.317 64.484 63.200 -0.056 0.000 1.081 682 S HN 0.832 nan 8.310 nan 0.000 0.476 683 R N 2.330 122.797 120.500 -0.056 0.000 2.535 683 R HA 0.399 4.739 4.340 0.001 0.000 0.274 683 R C -1.694 174.617 176.300 0.018 0.000 1.090 683 R CA -0.755 55.346 56.100 0.002 0.000 0.930 683 R CB 1.954 32.287 30.300 0.055 0.000 1.223 683 R HN 0.455 nan 8.270 nan 0.000 0.441 684 V N 4.443 124.366 119.914 0.015 0.000 2.385 684 V HA 0.422 4.542 4.120 0.001 0.000 0.269 684 V C 0.330 176.420 176.094 -0.006 0.000 1.043 684 V CA -0.198 62.106 62.300 0.006 0.000 0.906 684 V CB 0.774 32.599 31.823 0.003 0.000 0.995 684 V HN 0.597 nan 8.190 nan 0.000 0.467 685 R N 3.035 123.510 120.500 -0.042 0.000 2.867 685 R HA 0.686 5.027 4.340 0.001 0.000 0.268 685 R C -1.244 174.949 176.300 -0.179 0.000 1.014 685 R CA -0.947 55.084 56.100 -0.116 0.000 0.946 685 R CB 2.481 32.673 30.300 -0.180 0.000 1.208 685 R HN 0.440 nan 8.270 nan 0.000 0.477 686 V N 3.484 123.269 119.914 -0.215 0.000 2.432 686 V HA 0.345 4.465 4.120 0.001 0.000 0.275 686 V C -0.076 175.897 176.094 -0.201 0.000 1.043 686 V CA -0.366 61.844 62.300 -0.149 0.000 0.925 686 V CB 0.686 32.469 31.823 -0.067 0.000 0.985 686 V HN 0.502 nan 8.190 nan 0.000 0.466 687 L N 6.212 127.366 121.223 -0.115 0.000 2.472 687 L HA 0.910 5.251 4.340 0.001 0.000 0.256 687 L C 0.783 177.646 176.870 -0.011 0.000 1.111 687 L CA 0.097 54.900 54.840 -0.062 0.000 0.800 687 L CB 1.500 43.539 42.059 -0.034 0.000 1.286 687 L HN 0.818 nan 8.230 nan 0.000 0.479 688 G N -0.807 108.004 108.800 0.018 0.000 2.606 688 G HA2 0.373 4.333 3.960 0.001 0.000 0.300 688 G HA3 0.373 4.333 3.960 0.001 0.000 0.300 688 G C -0.371 174.543 174.900 0.023 0.000 1.360 688 G CA -0.544 44.566 45.100 0.018 0.000 0.783 688 G HN 0.492 nan 8.290 nan 0.000 0.484 689 L N -1.665 119.566 121.223 0.013 0.000 2.478 689 L HA 0.475 4.816 4.340 0.001 0.000 0.223 689 L C 0.972 177.878 176.870 0.060 0.000 1.140 689 L CA 0.769 55.620 54.840 0.017 0.000 0.842 689 L CB -0.525 41.531 42.059 -0.006 0.000 0.953 689 L HN 0.201 nan 8.230 nan 0.000 0.452 690 K N 1.932 122.364 120.400 0.054 0.000 2.183 690 K HA 0.664 4.985 4.320 0.001 0.000 0.274 690 K C 0.236 176.887 176.600 0.085 0.000 1.009 690 K CA -0.042 56.279 56.287 0.057 0.000 0.888 690 K CB 1.054 33.571 32.500 0.028 0.000 1.078 690 K HN 0.275 nan 8.250 nan 0.000 0.459 691 A N 3.263 126.131 122.820 0.080 0.000 2.609 691 A HA -0.008 4.313 4.320 0.001 0.000 0.235 691 A C -0.587 177.063 177.584 0.110 0.000 1.092 691 A CA 0.709 52.801 52.037 0.092 0.000 0.780 691 A CB -0.291 18.685 19.000 -0.040 0.000 1.031 691 A HN 0.915 nan 8.150 nan 0.000 0.515 692 H N -0.815 118.263 119.070 0.013 0.000 3.092 692 H HA 0.468 5.025 4.556 0.001 0.000 0.308 692 H C -1.340 173.976 175.328 -0.021 0.000 1.047 692 H CA -0.599 55.445 56.048 -0.007 0.000 1.466 692 H CB 0.618 30.381 29.762 0.003 0.000 1.597 692 H HN 0.657 nan 8.280 nan 0.000 0.512 693 c N 4.254 122.657 118.600 -0.329 0.000 2.273 693 c HA 0.453 5.023 4.570 0.001 0.000 0.328 693 c C -0.016 173.862 174.090 -0.353 0.000 1.275 693 c CA -0.571 55.614 56.329 -0.240 0.000 1.704 693 c CB -0.064 42.345 42.510 -0.167 0.000 2.326 693 c HN 0.865 nan 8.230 nan 0.000 0.517 694 E N 3.079 123.124 120.200 -0.257 0.000 2.246 694 E HA 0.364 4.714 4.350 0.001 0.000 0.266 694 E C -1.082 175.234 176.600 -0.472 0.000 0.880 694 E CA -0.351 55.825 56.400 -0.373 0.000 0.762 694 E CB 0.965 30.443 29.700 -0.369 0.000 1.180 694 E HN 0.834 nan 8.360 nan 0.000 0.416 695 N N 3.190 121.626 118.700 -0.441 0.000 2.456 695 N HA 0.371 5.112 4.740 0.001 0.000 0.288 695 N C -1.251 173.986 175.510 -0.454 0.000 1.059 695 N CA -0.235 52.630 53.050 -0.308 0.000 0.946 695 N CB 0.576 38.988 38.487 -0.125 0.000 1.150 695 N HN 0.169 nan 8.380 nan 0.000 0.479 696 F N -0.286 119.721 119.950 0.094 0.000 2.523 696 F HA 0.449 4.977 4.527 0.001 0.000 0.329 696 F C 0.426 176.339 175.800 0.188 0.000 1.061 696 F CA -1.091 56.995 58.000 0.143 0.000 0.967 696 F CB 1.244 40.353 39.000 0.181 0.000 1.218 696 F HN 0.275 nan 8.300 nan 0.000 0.480 697 N N 1.925 120.857 118.700 0.388 0.000 2.434 697 N HA 0.520 5.260 4.740 0.001 0.000 0.272 697 N C -1.263 174.402 175.510 0.259 0.000 1.040 697 N CA -0.324 52.878 53.050 0.253 0.000 0.956 697 N CB 1.387 39.978 38.487 0.174 0.000 1.108 697 N HN 0.310 nan 8.380 nan 0.000 0.481 698 L N 1.881 123.190 121.223 0.143 0.000 2.354 698 L HA 0.558 4.899 4.340 0.001 0.000 0.269 698 L C -0.655 176.211 176.870 -0.006 0.000 1.005 698 L CA -0.641 54.210 54.840 0.018 0.000 0.819 698 L CB 1.477 43.516 42.059 -0.033 0.000 1.311 698 L HN 0.264 nan 8.230 nan 0.000 0.423 699 L N 3.528 124.724 121.223 -0.045 0.000 2.342 699 L HA 0.520 4.861 4.340 0.001 0.000 0.276 699 L C -0.774 176.065 176.870 -0.052 0.000 0.997 699 L CA -0.029 54.794 54.840 -0.029 0.000 0.838 699 L CB 1.387 43.441 42.059 -0.008 0.000 1.224 699 L HN 0.368 nan 8.230 nan 0.000 0.416 700 L N 6.112 127.307 121.223 -0.047 0.000 2.264 700 L HA 0.484 4.825 4.340 0.001 0.000 0.289 700 L C -1.931 174.924 176.870 -0.025 0.000 1.044 700 L CA -1.794 53.019 54.840 -0.046 0.000 0.807 700 L CB 1.320 43.345 42.059 -0.058 0.000 1.192 700 L HN 0.347 nan 8.230 nan 0.000 0.425 701 P HA 0.009 nan 4.420 nan 0.000 0.268 701 P C 0.705 177.994 177.300 -0.018 0.000 1.204 701 P CA -0.158 62.930 63.100 -0.020 0.000 0.768 701 P CB 1.061 32.746 31.700 -0.026 0.000 0.842 702 S N 2.246 117.939 115.700 -0.011 0.000 2.380 702 S HA -0.173 4.297 4.470 0.001 0.000 0.229 702 S C 0.765 175.350 174.600 -0.025 0.000 1.043 702 S CA 0.876 59.073 58.200 -0.005 0.000 1.038 702 S CB -1.172 62.028 63.200 0.001 0.000 0.872 702 S HN 0.579 nan 8.310 nan 0.000 0.456 703 c N 1.846 120.421 118.600 -0.042 0.000 2.329 703 c HA 0.904 5.475 4.570 0.001 0.000 0.329 703 c C -0.006 174.024 174.090 -0.099 0.000 1.275 703 c CA -0.881 55.402 56.329 -0.076 0.000 1.726 703 c CB 0.616 43.092 42.510 -0.057 0.000 2.291 703 c HN 0.415 nan 8.230 nan 0.000 0.514 704 V N 2.608 122.422 119.914 -0.166 0.000 3.048 704 V HA 0.275 4.396 4.120 0.001 0.000 0.303 704 V C 0.219 176.174 176.094 -0.232 0.000 1.214 704 V CA -0.453 61.745 62.300 -0.169 0.000 0.984 704 V CB 1.856 33.594 31.823 -0.142 0.000 1.054 704 V HN 0.947 nan 8.190 nan 0.000 0.430 705 E N 0.742 120.835 120.200 -0.177 0.000 2.012 705 E HA -0.051 4.299 4.350 0.001 0.000 0.192 705 E C 0.191 176.656 176.600 -0.226 0.000 0.977 705 E CA 0.633 56.928 56.400 -0.174 0.000 0.832 705 E CB 0.094 29.724 29.700 -0.116 0.000 0.790 705 E HN 0.768 nan 8.360 nan 0.000 0.466 706 D N -0.033 120.244 120.400 -0.205 0.000 2.371 706 D HA -0.002 4.638 4.640 0.001 0.000 0.256 706 D C 0.262 176.300 176.300 -0.437 0.000 1.193 706 D CA 0.180 54.031 54.000 -0.249 0.000 0.881 706 D CB 1.053 41.746 40.800 -0.178 0.000 1.143 706 D HN 0.109 nan 8.370 nan 0.000 0.473 707 S N 1.605 116.975 115.700 -0.550 0.000 2.593 707 S HA -0.045 4.425 4.470 0.001 0.000 0.235 707 S C 1.946 175.961 174.600 -0.974 0.000 1.059 707 S CA 0.433 57.998 58.200 -1.057 0.000 0.953 707 S CB -0.455 62.459 63.200 -0.476 0.000 0.897 707 S HN 0.310 nan 8.310 nan 0.000 0.507 708 V N 2.286 121.911 119.914 -0.482 0.000 2.343 708 V HA 0.027 4.147 4.120 0.001 0.000 0.247 708 V C 1.420 177.378 176.094 -0.227 0.000 1.051 708 V CA 1.624 63.709 62.300 -0.357 0.000 1.036 708 V CB -2.274 29.407 31.823 -0.235 0.000 0.654 708 V HN 0.711 nan 8.190 nan 0.000 0.451 709 T N -0.394 114.038 114.554 -0.202 0.000 2.738 709 T HA 0.477 4.827 4.350 0.001 0.000 0.294 709 T C -2.292 172.416 174.700 0.012 0.000 0.914 709 T CA -1.747 60.317 62.100 -0.060 0.000 1.052 709 T CB 0.482 69.328 68.868 -0.037 0.000 0.897 709 T HN 0.347 nan 8.240 nan 0.000 0.522 710 P HA 0.065 nan 4.420 nan 0.000 0.267 710 P C 0.389 177.830 177.300 0.235 0.000 1.195 710 P CA -0.318 62.975 63.100 0.320 0.000 0.773 710 P CB 0.256 32.066 31.700 0.183 0.000 0.837 711 I N -1.242 119.455 120.570 0.212 0.000 2.416 711 I HA 0.335 4.505 4.170 0.001 0.000 0.288 711 I C 0.445 176.579 176.117 0.028 0.000 1.051 711 I CA -0.567 60.779 61.300 0.076 0.000 1.375 711 I CB 0.720 38.720 38.000 -0.001 0.000 1.407 711 I HN 0.228 nan 8.210 nan 0.000 0.516 712 T N 4.876 119.475 114.554 0.075 0.000 2.913 712 T HA 0.583 4.933 4.350 0.001 0.000 0.287 712 T C -0.474 174.327 174.700 0.169 0.000 1.008 712 T CA -0.779 61.400 62.100 0.131 0.000 1.067 712 T CB 1.987 70.920 68.868 0.109 0.000 0.996 712 T HN 0.706 nan 8.240 nan 0.000 0.513 713 L N 2.648 124.032 121.223 0.268 0.000 2.504 713 L HA 0.608 4.949 4.340 0.001 0.000 0.265 713 L C -0.738 176.284 176.870 0.254 0.000 0.975 713 L CA -0.951 54.063 54.840 0.289 0.000 0.864 713 L CB 1.361 43.680 42.059 0.434 0.000 1.212 713 L HN 0.972 nan 8.230 nan 0.000 0.416 714 R N 3.774 124.406 120.500 0.219 0.000 2.732 714 R HA 0.841 5.181 4.340 0.001 0.000 0.278 714 R C -1.549 174.896 176.300 0.242 0.000 0.976 714 R CA -0.742 55.495 56.100 0.227 0.000 0.963 714 R CB 1.447 31.857 30.300 0.182 0.000 1.150 714 R HN 0.405 nan 8.270 nan 0.000 0.478 715 L N -0.383 121.013 121.223 0.288 0.000 2.365 715 L HA 0.634 4.974 4.340 0.001 0.000 0.273 715 L C -0.893 176.180 176.870 0.339 0.000 1.000 715 L CA -0.957 54.048 54.840 0.274 0.000 0.819 715 L CB 1.898 44.098 42.059 0.235 0.000 1.284 715 L HN 0.745 nan 8.230 nan 0.000 0.418 716 N N 2.877 121.736 118.700 0.265 0.000 2.444 716 N HA 0.510 5.250 4.740 0.001 0.000 0.262 716 N C -1.499 174.097 175.510 0.143 0.000 0.974 716 N CA -0.416 52.706 53.050 0.119 0.000 0.933 716 N CB 0.945 39.525 38.487 0.155 0.000 1.137 716 N HN 0.688 nan 8.380 nan 0.000 0.498 717 F N 0.943 120.848 119.950 -0.074 0.000 2.576 717 F HA 0.790 5.317 4.527 0.001 0.000 0.313 717 F C -0.118 175.649 175.800 -0.055 0.000 1.078 717 F CA -0.657 57.325 58.000 -0.031 0.000 0.921 717 F CB 1.328 40.344 39.000 0.027 0.000 1.232 717 F HN 0.394 nan 8.300 nan 0.000 0.459 718 T N 0.064 114.578 114.554 -0.067 0.000 2.584 718 T HA 0.633 4.984 4.350 0.001 0.000 0.273 718 T C -1.414 173.293 174.700 0.012 0.000 0.978 718 T CA -0.931 61.074 62.100 -0.157 0.000 1.159 718 T CB 1.186 69.969 68.868 -0.141 0.000 1.556 718 T HN 0.782 nan 8.240 nan 0.000 0.472 719 L N 1.612 122.831 121.223 -0.007 0.000 2.433 719 L HA 0.611 4.952 4.340 0.001 0.000 0.256 719 L C -0.205 176.672 176.870 0.011 0.000 1.063 719 L CA -0.834 54.020 54.840 0.024 0.000 0.922 719 L CB 1.434 43.510 42.059 0.028 0.000 1.238 719 L HN 0.567 nan 8.230 nan 0.000 0.466 720 V N 3.013 122.935 119.914 0.013 0.000 3.003 720 V HA 0.639 4.759 4.120 0.001 0.000 0.305 720 V C 1.314 177.411 176.094 0.005 0.000 1.078 720 V CA 1.375 63.679 62.300 0.007 0.000 1.083 720 V CB 1.342 33.169 31.823 0.007 0.000 1.039 720 V HN 0.921 nan 8.190 nan 0.000 0.481 721 G N 3.337 112.140 108.800 0.006 0.000 5.452 721 G HA2 -0.380 3.581 3.960 0.001 0.000 0.310 721 G HA3 -0.380 3.581 3.960 0.001 0.000 0.310 721 G C 0.627 175.531 174.900 0.007 0.000 1.392 721 G CA 0.640 45.742 45.100 0.004 0.000 0.942 721 G HN 1.445 nan 8.290 nan 0.000 0.776 722 K N -0.467 119.933 120.400 -0.000 0.000 3.339 722 K HA -0.144 4.177 4.320 0.001 0.000 0.299 722 K C -2.513 174.075 176.600 -0.021 0.000 1.270 722 K CA 1.024 57.311 56.287 -0.001 0.000 0.875 722 K CB -1.580 30.930 32.500 0.018 0.000 1.298 722 K HN 0.688 nan 8.250 nan 0.000 0.485 723 P HA 0.356 nan 4.420 nan 0.000 0.297 723 P C -0.666 176.558 177.300 -0.126 0.000 1.331 723 P CA -0.258 62.774 63.100 -0.113 0.000 0.803 723 P CB 0.855 32.498 31.700 -0.095 0.000 0.929 724 L N 5.379 126.498 121.223 -0.173 0.000 2.529 724 L HA 0.198 4.539 4.340 0.001 0.000 0.260 724 L C 0.717 177.489 176.870 -0.164 0.000 0.997 724 L CA -0.661 54.100 54.840 -0.131 0.000 0.885 724 L CB 1.425 43.435 42.059 -0.082 0.000 1.185 724 L HN 0.276 nan 8.230 nan 0.000 0.442 725 L N 2.438 123.566 121.223 -0.157 0.000 4.565 725 L HA -0.347 3.994 4.340 0.001 0.000 0.053 725 L C 0.569 177.309 176.870 -0.216 0.000 3.654 725 L CA 2.294 57.050 54.840 -0.140 0.000 1.224 725 L CB -1.054 40.955 42.059 -0.083 0.000 3.186 725 L HN 0.674 nan 8.230 nan 0.000 0.916 726 A N -1.175 121.550 122.820 -0.159 0.000 2.246 726 A HA 0.591 4.911 4.320 0.001 0.000 0.291 726 A C 0.133 177.574 177.584 -0.238 0.000 1.103 726 A CA 0.310 52.264 52.037 -0.137 0.000 0.844 726 A CB 0.037 19.043 19.000 0.010 0.000 1.136 726 A HN 0.485 nan 8.150 nan 0.000 0.500 727 F N -0.394 119.564 119.950 0.012 0.000 2.757 727 F HA 0.209 4.736 4.527 0.001 0.000 0.292 727 F C 1.648 177.458 175.800 0.017 0.000 1.204 727 F CA 0.155 58.163 58.000 0.014 0.000 1.417 727 F CB -0.032 38.978 39.000 0.016 0.000 1.001 727 F HN 0.502 nan 8.300 nan 0.000 0.508 728 R N 0.426 120.992 120.500 0.109 0.000 2.317 728 R HA 0.046 4.386 4.340 0.001 0.000 0.208 728 R C 1.468 177.791 176.300 0.039 0.000 0.914 728 R CA 0.451 56.594 56.100 0.073 0.000 1.060 728 R CB -0.150 30.177 30.300 0.045 0.000 1.015 728 R HN 0.381 nan 8.270 nan 0.000 0.498 729 N N 0.252 118.972 118.700 0.034 0.000 2.503 729 N HA 0.015 4.755 4.740 0.001 0.000 0.210 729 N C 1.215 176.752 175.510 0.045 0.000 1.077 729 N CA 0.050 53.114 53.050 0.022 0.000 0.855 729 N CB 0.357 38.843 38.487 -0.002 0.000 1.323 729 N HN 0.047 nan 8.380 nan 0.000 0.452 730 L N -0.229 121.039 121.223 0.073 0.000 4.142 730 L HA -0.365 3.976 4.340 0.001 0.000 0.053 730 L C 0.298 177.208 176.870 0.065 0.000 3.897 730 L CA 2.379 57.282 54.840 0.105 0.000 1.100 730 L CB -1.061 41.064 42.059 0.110 0.000 3.275 730 L HN 0.544 nan 8.230 nan 0.000 0.858 731 R N 1.384 121.918 120.500 0.056 0.000 2.337 731 R HA 0.573 4.914 4.340 0.001 0.000 0.319 731 R C -2.882 173.446 176.300 0.046 0.000 0.954 731 R CA -1.669 54.459 56.100 0.047 0.000 0.840 731 R CB 1.649 31.978 30.300 0.049 0.000 1.164 731 R HN 0.004 nan 8.270 nan 0.000 0.472 732 P HA 0.387 nan 4.420 nan 0.000 0.279 732 P C -0.727 176.612 177.300 0.066 0.000 1.276 732 P CA -0.789 62.342 63.100 0.052 0.000 0.801 732 P CB 1.010 32.734 31.700 0.039 0.000 1.127 733 M N -1.969 117.688 119.600 0.094 0.000 3.084 733 M HA 0.485 4.966 4.480 0.001 0.000 0.273 733 M C -1.779 174.609 176.300 0.148 0.000 1.242 733 M CA -0.904 54.458 55.300 0.104 0.000 0.819 733 M CB 1.000 33.675 32.600 0.124 0.000 1.625 733 M HN -0.065 nan 8.290 nan 0.000 0.493 734 L N 1.077 122.369 121.223 0.115 0.000 2.376 734 L HA 0.943 5.283 4.340 0.001 0.000 0.267 734 L C 0.423 177.370 176.870 0.129 0.000 1.035 734 L CA -0.918 54.001 54.840 0.131 0.000 0.800 734 L CB 1.564 43.626 42.059 0.005 0.000 1.290 734 L HN 0.948 nan 8.230 nan 0.000 0.462 735 A N 0.167 123.041 122.820 0.090 0.000 2.257 735 A HA 0.641 4.962 4.320 0.001 0.000 0.290 735 A C 0.990 178.296 177.584 -0.465 0.000 1.201 735 A CA 0.401 52.372 52.037 -0.110 0.000 0.863 735 A CB 0.291 19.175 19.000 -0.194 0.000 1.256 735 A HN 0.852 nan 8.150 nan 0.000 0.506 736 A N -0.779 121.621 122.820 -0.700 0.000 1.855 736 A HA 0.011 4.331 4.320 0.001 0.000 0.215 736 A C 0.688 178.060 177.584 -0.354 0.000 1.191 736 A CA 1.588 53.259 52.037 -0.611 0.000 0.613 736 A CB -0.585 18.073 19.000 -0.571 0.000 0.829 736 A HN 0.651 nan 8.150 nan 0.000 0.442 737 D N 0.891 121.109 120.400 -0.303 0.000 2.688 737 D HA 0.443 5.083 4.640 0.001 0.000 0.228 737 D C -0.337 175.861 176.300 -0.170 0.000 1.116 737 D CA 0.474 54.349 54.000 -0.208 0.000 1.023 737 D CB 0.001 40.692 40.800 -0.182 0.000 1.100 737 D HN 0.343 nan 8.370 nan 0.000 0.487 738 A N 2.240 124.956 122.820 -0.173 0.000 2.444 738 A HA 0.178 4.499 4.320 0.001 0.000 0.332 738 A C 0.579 178.049 177.584 -0.191 0.000 1.430 738 A CA -0.692 51.263 52.037 -0.136 0.000 0.975 738 A CB 0.427 19.313 19.000 -0.189 0.000 1.147 738 A HN 0.088 nan 8.150 nan 0.000 0.524 739 Q N 2.225 121.925 119.800 -0.167 0.000 2.945 739 Q HA 0.067 4.408 4.340 0.001 0.000 0.323 739 Q C 0.867 176.361 176.000 -0.842 0.000 1.188 739 Q CA 0.005 55.544 55.803 -0.440 0.000 0.929 739 Q CB -0.229 28.273 28.738 -0.393 0.000 1.531 739 Q HN 0.767 nan 8.270 nan 0.000 0.444 740 R N -0.264 119.913 120.500 -0.538 0.000 2.261 740 R HA -0.138 4.203 4.340 0.001 0.000 0.236 740 R C -0.120 175.903 176.300 -0.461 0.000 1.141 740 R CA 0.976 56.738 56.100 -0.563 0.000 1.001 740 R CB 0.063 29.851 30.300 -0.852 0.000 0.866 740 R HN 0.243 nan 8.270 nan 0.000 0.468 741 Y N 0.019 120.107 120.300 -0.354 0.000 2.594 741 Y HA 0.219 4.770 4.550 0.001 0.000 0.342 741 Y C -0.556 175.180 175.900 -0.274 0.000 1.010 741 Y CA -0.983 57.000 58.100 -0.196 0.000 1.270 741 Y CB 0.161 38.546 38.460 -0.125 0.000 1.125 741 Y HN -0.199 nan 8.280 nan 0.000 0.513 742 F N 1.085 121.210 119.950 0.292 0.000 2.444 742 F HA 0.557 5.085 4.527 0.001 0.000 0.342 742 F C 0.338 176.244 175.800 0.177 0.000 1.121 742 F CA -0.937 57.185 58.000 0.203 0.000 0.997 742 F CB 1.778 40.877 39.000 0.165 0.000 1.130 742 F HN 0.122 nan 8.300 nan 0.000 0.454 743 T N 2.462 117.221 114.554 0.343 0.000 2.863 743 T HA 0.840 5.191 4.350 0.001 0.000 0.285 743 T C -0.803 174.030 174.700 0.222 0.000 1.009 743 T CA -0.763 61.487 62.100 0.249 0.000 0.989 743 T CB 1.805 70.790 68.868 0.195 0.000 1.004 743 T HN 0.686 nan 8.240 nan 0.000 0.455 744 A N 1.996 124.950 122.820 0.223 0.000 2.386 744 A HA 0.841 5.162 4.320 0.001 0.000 0.311 744 A C 0.014 177.857 177.584 0.431 0.000 1.068 744 A CA -0.854 51.324 52.037 0.235 0.000 0.743 744 A CB 1.286 20.323 19.000 0.061 0.000 1.258 744 A HN 0.882 nan 8.150 nan 0.000 0.429 745 S N 1.162 117.107 115.700 0.409 0.000 2.608 745 S HA 0.762 5.232 4.470 0.001 0.000 0.291 745 S C -0.583 174.169 174.600 0.254 0.000 1.146 745 S CA -0.653 57.732 58.200 0.309 0.000 1.043 745 S CB 1.319 64.632 63.200 0.187 0.000 1.037 745 S HN 0.958 nan 8.310 nan 0.000 0.520 746 L N 2.444 123.569 121.223 -0.163 0.000 2.342 746 L HA 0.537 4.878 4.340 0.001 0.000 0.276 746 L C -2.782 173.955 176.870 -0.222 0.000 0.997 746 L CA -2.369 52.198 54.840 -0.455 0.000 0.838 746 L CB 2.201 43.561 42.059 -1.164 0.000 1.224 746 L HN 0.526 nan 8.230 nan 0.000 0.416 747 P HA 0.379 nan 4.420 nan 0.000 0.279 747 P C -1.253 176.031 177.300 -0.027 0.000 1.282 747 P CA -0.160 62.992 63.100 0.085 0.000 0.788 747 P CB 0.693 32.448 31.700 0.092 0.000 1.139 748 F N -1.606 118.330 119.950 -0.023 0.000 2.598 748 F HA 0.337 4.865 4.527 0.001 0.000 0.327 748 F C 0.933 176.707 175.800 -0.043 0.000 1.057 748 F CA -0.971 57.029 58.000 -0.001 0.000 0.957 748 F CB 0.805 39.852 39.000 0.079 0.000 1.278 748 F HN 0.235 nan 8.300 nan 0.000 0.484 749 E N 2.139 122.402 120.200 0.105 0.000 1.814 749 E HA 0.073 4.423 4.350 0.001 0.000 0.264 749 E C -0.479 176.027 176.600 -0.157 0.000 1.179 749 E CA -0.560 55.817 56.400 -0.038 0.000 0.972 749 E CB 0.207 29.854 29.700 -0.088 0.000 1.077 749 E HN 0.382 nan 8.360 nan 0.000 0.417 750 K N 3.658 123.995 120.400 -0.106 0.000 2.472 750 K HA -0.039 4.281 4.320 0.001 0.000 0.280 750 K C -0.624 175.857 176.600 -0.199 0.000 1.028 750 K CA -0.073 56.104 56.287 -0.183 0.000 1.045 750 K CB 0.112 32.483 32.500 -0.215 0.000 0.902 750 K HN 0.325 nan 8.250 nan 0.000 0.478 751 N N 3.692 122.223 118.700 -0.282 0.000 2.396 751 N HA -0.072 4.668 4.740 0.001 0.000 0.287 751 N C 0.113 175.594 175.510 -0.048 0.000 1.316 751 N CA 0.104 53.035 53.050 -0.199 0.000 0.972 751 N CB -0.368 38.028 38.487 -0.152 0.000 1.341 751 N HN 0.627 nan 8.380 nan 0.000 0.487 752 c N 1.176 119.770 118.600 -0.010 0.000 2.396 752 c HA 0.684 5.255 4.570 0.001 0.000 0.334 752 c C 0.930 175.065 174.090 0.075 0.000 1.313 752 c CA -0.069 56.303 56.329 0.071 0.000 1.719 752 c CB -1.576 41.011 42.510 0.129 0.000 1.893 752 c HN 0.698 nan 8.230 nan 0.000 0.589 753 G N -0.579 108.239 108.800 0.031 0.000 2.371 753 G HA2 0.404 4.365 3.960 0.001 0.000 0.663 753 G HA3 0.404 4.365 3.960 0.001 0.000 0.663 753 G C 0.331 175.243 174.900 0.021 0.000 1.311 753 G CA -0.353 44.763 45.100 0.027 0.000 0.985 753 G HN 1.240 nan 8.290 nan 0.000 0.566 754 A N -0.321 122.512 122.820 0.021 0.000 2.239 754 A HA 0.453 4.774 4.320 0.001 0.000 0.209 754 A C 1.073 178.671 177.584 0.022 0.000 1.171 754 A CA 2.440 54.487 52.037 0.017 0.000 0.768 754 A CB -0.647 18.363 19.000 0.016 0.000 0.790 754 A HN 1.762 nan 8.150 nan 0.000 0.478 755 D N -5.699 114.727 120.400 0.043 0.000 3.734 755 D HA 0.220 4.861 4.640 0.001 0.000 0.350 755 D C 0.329 176.705 176.300 0.128 0.000 1.511 755 D CA 0.238 54.271 54.000 0.056 0.000 0.956 755 D CB -0.115 40.715 40.800 0.050 0.000 1.470 755 D HN 0.218 nan 8.370 nan 0.000 0.598 756 H N -1.386 117.676 119.070 -0.013 0.000 4.123 756 H HA -0.214 4.343 4.556 0.001 0.000 0.146 756 H C 1.070 176.390 175.328 -0.013 0.000 0.800 756 H CA 1.826 57.867 56.048 -0.012 0.000 1.256 756 H CB -1.014 28.742 29.762 -0.010 0.000 0.848 756 H HN 0.790 nan 8.280 nan 0.000 0.462 757 I N -1.742 118.769 120.570 -0.099 0.000 4.063 757 I HA -0.381 3.789 4.170 0.001 0.000 0.156 757 I C 0.552 176.583 176.117 -0.143 0.000 1.137 757 I CA 1.515 62.737 61.300 -0.131 0.000 1.255 757 I CB -1.776 36.136 38.000 -0.145 0.000 1.568 757 I HN 0.972 nan 8.210 nan 0.000 0.223 758 c N 1.788 120.279 118.600 -0.181 0.000 3.443 758 c HA -0.121 4.449 4.570 0.001 0.000 0.300 758 c C 0.538 174.577 174.090 -0.084 0.000 1.072 758 c CA 0.119 56.408 56.329 -0.066 0.000 2.449 758 c CB -2.230 40.272 42.510 -0.013 0.000 1.474 758 c HN 0.562 nan 8.230 nan 0.000 0.523 759 Q N 1.234 120.962 119.800 -0.120 0.000 2.314 759 Q HA 0.233 4.574 4.340 0.001 0.000 0.257 759 Q C 0.098 176.091 176.000 -0.011 0.000 0.975 759 Q CA 0.265 56.024 55.803 -0.072 0.000 0.933 759 Q CB 1.062 29.743 28.738 -0.095 0.000 1.195 759 Q HN 0.537 nan 8.270 nan 0.000 0.426 760 D N 2.793 123.195 120.400 0.003 0.000 2.402 760 D HA 0.087 4.728 4.640 0.001 0.000 0.235 760 D C -0.362 175.955 176.300 0.028 0.000 1.226 760 D CA 0.078 54.095 54.000 0.028 0.000 0.918 760 D CB 0.213 41.036 40.800 0.038 0.000 1.043 760 D HN 0.263 nan 8.370 nan 0.000 0.506 761 N N 3.587 122.303 118.700 0.028 0.000 2.573 761 N HA 0.334 5.075 4.740 0.001 0.000 0.262 761 N C -1.603 173.944 175.510 0.060 0.000 1.029 761 N CA -0.402 52.667 53.050 0.032 0.000 0.882 761 N CB 0.524 39.015 38.487 0.008 0.000 1.204 761 N HN 0.196 nan 8.380 nan 0.000 0.519 762 L N 1.461 122.746 121.223 0.103 0.000 2.408 762 L HA 0.810 5.151 4.340 0.001 0.000 0.268 762 L C 0.737 177.742 176.870 0.224 0.000 0.986 762 L CA -1.120 53.828 54.840 0.182 0.000 0.820 762 L CB 2.264 44.444 42.059 0.202 0.000 1.303 762 L HN 0.458 nan 8.230 nan 0.000 0.411 763 G N 1.631 110.658 108.800 0.378 0.000 2.667 763 G HA2 0.876 4.837 3.960 0.001 0.000 0.310 763 G HA3 0.876 4.837 3.960 0.001 0.000 0.310 763 G C -1.517 173.698 174.900 0.525 0.000 1.259 763 G CA -0.615 44.787 45.100 0.503 0.000 1.019 763 G HN 0.600 nan 8.290 nan 0.000 0.496 764 I N -1.226 119.609 120.570 0.442 0.000 2.882 764 I HA 0.645 4.816 4.170 0.001 0.000 0.298 764 I C -1.476 174.499 176.117 -0.237 0.000 1.462 764 I CA -0.586 60.707 61.300 -0.012 0.000 1.000 764 I CB 2.179 40.207 38.000 0.047 0.000 1.340 764 I HN 0.726 nan 8.210 nan 0.000 0.462 765 S N 5.715 121.034 115.700 -0.634 0.000 2.563 765 S HA 0.718 5.189 4.470 0.001 0.000 0.279 765 S C -1.483 172.645 174.600 -0.787 0.000 1.155 765 S CA -0.525 56.981 58.200 -1.158 0.000 0.928 765 S CB 0.979 63.696 63.200 -0.805 0.000 1.107 765 S HN 0.636 nan 8.310 nan 0.000 0.462 766 F N 1.824 121.339 119.950 -0.726 0.000 2.620 766 F HA 0.962 5.489 4.527 0.001 0.000 0.320 766 F C -0.165 175.476 175.800 -0.264 0.000 1.069 766 F CA -0.599 57.179 58.000 -0.369 0.000 0.953 766 F CB 1.236 40.100 39.000 -0.226 0.000 1.322 766 F HN 0.617 nan 8.300 nan 0.000 0.479 767 S N -0.105 115.570 115.700 -0.043 0.000 2.776 767 S HA 0.811 5.282 4.470 0.001 0.000 0.292 767 S C -1.860 172.498 174.600 -0.402 0.000 1.187 767 S CA -0.777 57.334 58.200 -0.147 0.000 0.834 767 S CB 1.776 64.941 63.200 -0.058 0.000 1.199 767 S HN 0.554 nan 8.310 nan 0.000 0.514 768 F N 1.326 121.347 119.950 0.118 0.000 2.610 768 F HA 0.514 5.042 4.527 0.001 0.000 0.355 768 F C -2.749 173.072 175.800 0.035 0.000 1.140 768 F CA -1.892 56.146 58.000 0.064 0.000 1.037 768 F CB 1.500 40.537 39.000 0.061 0.000 1.287 768 F HN 0.288 nan 8.300 nan 0.000 0.457 769 P HA 0.292 nan 4.420 nan 0.000 0.269 769 P C 0.852 178.206 177.300 0.089 0.000 1.252 769 P CA 0.530 63.686 63.100 0.095 0.000 0.780 769 P CB 0.734 32.466 31.700 0.054 0.000 0.829 770 G N 2.793 111.637 108.800 0.073 0.000 2.234 770 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 770 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 770 G C 0.071 174.997 174.900 0.043 0.000 0.987 770 G CA -0.137 44.993 45.100 0.049 0.000 0.625 770 G HN 0.597 nan 8.290 nan 0.000 0.532 771 L N 1.916 123.177 121.223 0.063 0.000 2.700 771 L HA 0.410 4.751 4.340 0.001 0.000 0.272 771 L C 0.866 177.738 176.870 0.004 0.000 1.176 771 L CA 0.770 55.621 54.840 0.017 0.000 0.961 771 L CB 0.010 42.067 42.059 -0.003 0.000 1.249 771 L HN 0.403 nan 8.230 nan 0.000 0.487 772 K N 3.412 123.803 120.400 -0.014 0.000 2.473 772 K HA 0.506 4.826 4.320 0.001 0.000 0.246 772 K C 0.510 177.093 176.600 -0.028 0.000 1.011 772 K CA -0.009 56.271 56.287 -0.011 0.000 0.984 772 K CB 1.113 33.611 32.500 -0.003 0.000 1.250 772 K HN 0.602 nan 8.250 nan 0.000 0.454 773 S N 2.232 117.911 115.700 -0.036 0.000 1.466 773 S HA -0.232 4.238 4.470 0.001 0.000 0.244 773 S C -0.039 174.514 174.600 -0.080 0.000 0.723 773 S CA 1.114 59.287 58.200 -0.045 0.000 1.234 773 S CB -1.333 61.850 63.200 -0.027 0.000 1.451 773 S HN 1.567 nan 8.310 nan 0.000 0.507 774 L N 0.677 121.846 121.223 -0.090 0.000 3.295 774 L HA -0.062 4.278 4.340 0.001 0.000 0.686 774 L C -0.622 176.158 176.870 -0.151 0.000 1.088 774 L CA 1.457 56.220 54.840 -0.128 0.000 1.255 774 L CB -1.587 40.369 42.059 -0.172 0.000 1.713 774 L HN 0.898 nan 8.230 nan 0.000 0.868 775 L N 2.429 123.582 121.223 -0.118 0.000 2.331 775 L HA 0.914 5.254 4.340 0.001 0.000 0.275 775 L C 0.118 176.920 176.870 -0.113 0.000 1.022 775 L CA -0.812 53.945 54.840 -0.139 0.000 0.812 775 L CB 1.633 43.668 42.059 -0.040 0.000 1.257 775 L HN 0.070 nan 8.230 nan 0.000 0.435 776 V N 3.569 123.397 119.914 -0.144 0.000 2.387 776 V HA 0.608 4.728 4.120 0.001 0.000 0.260 776 V C 0.996 177.131 176.094 0.067 0.000 1.054 776 V CA 0.991 63.276 62.300 -0.025 0.000 0.967 776 V CB -0.621 31.240 31.823 0.063 0.000 1.036 776 V HN 1.215 nan 8.190 nan 0.000 0.481 777 G N 4.063 112.889 108.800 0.043 0.000 3.826 777 G HA2 -0.129 3.831 3.960 0.001 0.000 0.194 777 G HA3 -0.129 3.831 3.960 0.001 0.000 0.194 777 G C 0.392 175.308 174.900 0.028 0.000 2.087 777 G CA 0.155 45.286 45.100 0.053 0.000 1.230 777 G HN 0.585 nan 8.290 nan 0.000 0.393 778 S N 0.714 116.426 115.700 0.021 0.000 2.634 778 S HA 0.463 4.934 4.470 0.001 0.000 0.261 778 S C 0.510 175.102 174.600 -0.013 0.000 1.271 778 S CA 0.363 58.566 58.200 0.005 0.000 0.985 778 S CB 0.244 63.448 63.200 0.006 0.000 0.968 778 S HN 0.885 nan 8.310 nan 0.000 0.568 779 N N 0.088 118.776 118.700 -0.020 0.000 2.667 779 N HA -0.179 4.561 4.740 0.001 0.000 0.263 779 N C 0.165 175.655 175.510 -0.034 0.000 1.038 779 N CA 0.291 53.320 53.050 -0.036 0.000 0.749 779 N CB -1.140 37.312 38.487 -0.059 0.000 0.892 779 N HN 0.494 nan 8.380 nan 0.000 0.546 780 L N 0.481 121.693 121.223 -0.018 0.000 2.034 780 L HA -0.031 4.309 4.340 0.001 0.000 0.203 780 L C 1.356 178.219 176.870 -0.012 0.000 1.074 780 L CA 0.952 55.787 54.840 -0.009 0.000 0.748 780 L CB 0.051 42.110 42.059 -0.001 0.000 0.905 780 L HN 0.464 nan 8.230 nan 0.000 0.439 781 E N 0.839 121.029 120.200 -0.016 0.000 2.354 781 E HA 0.244 4.595 4.350 0.001 0.000 0.269 781 E C -0.922 175.670 176.600 -0.013 0.000 1.036 781 E CA -0.526 55.866 56.400 -0.015 0.000 0.876 781 E CB 1.328 31.014 29.700 -0.024 0.000 1.009 781 E HN 0.106 nan 8.360 nan 0.000 0.416 782 L N 3.706 124.936 121.223 0.012 0.000 2.345 782 L HA 0.345 4.686 4.340 0.001 0.000 0.274 782 L C -1.484 175.446 176.870 0.101 0.000 0.999 782 L CA -0.750 54.092 54.840 0.003 0.000 0.849 782 L CB 1.184 43.210 42.059 -0.055 0.000 1.220 782 L HN 0.507 nan 8.230 nan 0.000 0.422 783 N N 4.409 123.174 118.700 0.107 0.000 2.411 783 N HA 0.523 5.263 4.740 0.001 0.000 0.259 783 N C -0.446 175.235 175.510 0.284 0.000 1.103 783 N CA -0.082 53.055 53.050 0.144 0.000 0.954 783 N CB 1.606 40.143 38.487 0.084 0.000 1.085 783 N HN 0.644 nan 8.380 nan 0.000 0.485 784 A N 1.990 124.919 122.820 0.182 0.000 2.287 784 A HA 0.285 4.606 4.320 0.001 0.000 0.317 784 A C 0.044 177.535 177.584 -0.154 0.000 1.220 784 A CA -0.737 51.294 52.037 -0.011 0.000 0.835 784 A CB 0.592 19.518 19.000 -0.124 0.000 1.180 784 A HN 0.633 nan 8.150 nan 0.000 0.500 785 E N 2.920 123.008 120.200 -0.187 0.000 2.028 785 E HA 0.388 4.739 4.350 0.001 0.000 0.266 785 E C -1.296 175.157 176.600 -0.245 0.000 0.962 785 E CA -0.260 56.020 56.400 -0.199 0.000 0.784 785 E CB 0.973 30.600 29.700 -0.122 0.000 1.114 785 E HN 0.464 nan 8.360 nan 0.000 0.414 786 V N 6.264 125.941 119.914 -0.394 0.000 2.407 786 V HA 0.384 4.504 4.120 0.001 0.000 0.278 786 V C -0.259 175.573 176.094 -0.437 0.000 1.037 786 V CA -0.419 61.663 62.300 -0.364 0.000 0.900 786 V CB 1.384 32.960 31.823 -0.412 0.000 0.983 786 V HN 0.811 nan 8.190 nan 0.000 0.459 787 M N 6.622 125.995 119.600 -0.378 0.000 2.573 787 M HA 0.769 5.250 4.480 0.001 0.000 0.309 787 M C -1.428 174.540 176.300 -0.553 0.000 1.202 787 M CA -0.426 54.610 55.300 -0.439 0.000 0.975 787 M CB 1.953 34.266 32.600 -0.478 0.000 1.600 787 M HN 0.568 nan 8.290 nan 0.000 0.479 788 V N 2.908 122.477 119.914 -0.576 0.000 3.077 788 V HA 0.537 4.657 4.120 0.001 0.000 0.299 788 V C -1.883 174.043 176.094 -0.280 0.000 1.276 788 V CA -0.530 61.496 62.300 -0.457 0.000 0.993 788 V CB 2.372 34.107 31.823 -0.147 0.000 1.076 788 V HN 0.940 nan 8.190 nan 0.000 0.434 789 W N 2.732 124.157 121.300 0.208 0.000 2.594 789 W HA 0.557 5.218 4.660 0.001 0.000 0.365 789 W C -0.061 176.566 176.519 0.179 0.000 1.196 789 W CA -0.658 56.802 57.345 0.192 0.000 1.258 789 W CB 1.590 31.088 29.460 0.063 0.000 1.405 789 W HN 0.651 nan 8.180 nan 0.000 0.640 790 N N 0.945 119.750 118.700 0.174 0.000 2.732 790 N HA 0.069 4.809 4.740 0.001 0.000 0.235 790 N C -0.773 174.683 175.510 -0.090 0.000 1.466 790 N CA 0.001 52.961 53.050 -0.149 0.000 0.751 790 N CB -0.094 37.868 38.487 -0.876 0.000 1.317 790 N HN 0.097 nan 8.380 nan 0.000 0.525 791 D N 0.031 120.430 120.400 -0.001 0.000 2.325 791 D HA 0.248 4.888 4.640 0.001 0.000 0.234 791 D C 0.787 177.072 176.300 -0.024 0.000 1.122 791 D CA 0.435 54.420 54.000 -0.025 0.000 0.850 791 D CB 0.391 41.164 40.800 -0.044 0.000 0.921 791 D HN 0.566 nan 8.370 nan 0.000 0.513 792 G N -0.462 108.322 108.800 -0.027 0.000 3.086 792 G HA2 0.329 4.290 3.960 0.001 0.000 0.282 792 G HA3 0.329 4.290 3.960 0.001 0.000 0.282 792 G C -0.698 174.201 174.900 -0.001 0.000 1.343 792 G CA -0.571 44.528 45.100 -0.002 0.000 0.895 792 G HN -0.080 nan 8.290 nan 0.000 0.557 793 E N 0.302 120.530 120.200 0.047 0.000 2.537 793 E HA 0.040 4.391 4.350 0.001 0.000 0.269 793 E C -0.296 176.315 176.600 0.019 0.000 1.038 793 E CA 0.150 56.593 56.400 0.073 0.000 0.977 793 E CB 0.253 30.015 29.700 0.103 0.000 0.973 793 E HN 0.260 nan 8.360 nan 0.000 0.456 794 D N 1.738 122.145 120.400 0.012 0.000 2.487 794 D HA 0.019 4.659 4.640 0.001 0.000 0.243 794 D C -0.521 175.797 176.300 0.029 0.000 1.154 794 D CA 0.343 54.302 54.000 -0.068 0.000 0.876 794 D CB 0.243 40.958 40.800 -0.141 0.000 1.161 794 D HN 0.356 nan 8.370 nan 0.000 0.478 795 S N 2.178 117.879 115.700 0.002 0.000 2.475 795 S HA 0.294 4.764 4.470 0.001 0.000 0.281 795 S C 0.301 174.960 174.600 0.099 0.000 1.198 795 S CA -0.546 57.733 58.200 0.130 0.000 1.063 795 S CB 0.873 64.176 63.200 0.172 0.000 0.972 795 S HN 0.341 nan 8.310 nan 0.000 0.486 796 Y N 3.257 123.613 120.300 0.093 0.000 2.254 796 Y HA 0.349 4.900 4.550 0.001 0.000 0.274 796 Y C 2.419 178.367 175.900 0.079 0.000 1.093 796 Y CA 0.964 59.115 58.100 0.085 0.000 1.105 796 Y CB -0.720 37.779 38.460 0.066 0.000 1.041 796 Y HN 0.799 nan 8.280 nan 0.000 0.489 797 G N 0.150 109.106 108.800 0.259 0.000 3.452 797 G HA2 0.023 3.983 3.960 0.001 0.000 0.258 797 G HA3 0.023 3.983 3.960 0.001 0.000 0.258 797 G C 0.129 175.094 174.900 0.108 0.000 1.305 797 G CA -0.017 45.175 45.100 0.153 0.000 1.514 797 G HN 0.166 nan 8.290 nan 0.000 0.593 798 T N 1.300 115.919 114.554 0.108 0.000 2.849 798 T HA 0.277 4.628 4.350 0.001 0.000 0.289 798 T C 0.881 175.590 174.700 0.016 0.000 1.010 798 T CA 0.782 62.932 62.100 0.083 0.000 1.161 798 T CB 0.054 68.994 68.868 0.119 0.000 0.989 798 T HN 0.448 nan 8.240 nan 0.000 0.523 799 T N 3.402 117.967 114.554 0.018 0.000 2.888 799 T HA 0.662 5.012 4.350 0.001 0.000 0.284 799 T C -0.648 174.026 174.700 -0.044 0.000 1.017 799 T CA -1.075 61.013 62.100 -0.020 0.000 1.022 799 T CB 1.461 70.333 68.868 0.006 0.000 1.013 799 T HN 0.517 nan 8.240 nan 0.000 0.465 800 I N 3.057 123.571 120.570 -0.093 0.000 2.468 800 I HA 0.516 4.687 4.170 0.001 0.000 0.284 800 I C -0.215 175.748 176.117 -0.257 0.000 1.038 800 I CA -0.282 60.923 61.300 -0.158 0.000 1.083 800 I CB 1.659 39.589 38.000 -0.118 0.000 1.223 800 I HN 1.044 nan 8.210 nan 0.000 0.443 801 T N 3.927 118.319 114.554 -0.271 0.000 2.823 801 T HA 0.713 5.063 4.350 0.001 0.000 0.279 801 T C -0.506 174.016 174.700 -0.297 0.000 0.998 801 T CA -0.408 61.578 62.100 -0.191 0.000 0.994 801 T CB 0.805 69.646 68.868 -0.044 0.000 0.960 801 T HN 0.230 nan 8.240 nan 0.000 0.448 802 F N 1.578 121.594 119.950 0.109 0.000 2.470 802 F HA 0.631 5.158 4.527 0.001 0.000 0.329 802 F C 0.932 176.791 175.800 0.099 0.000 1.072 802 F CA -0.865 57.203 58.000 0.113 0.000 0.989 802 F CB 2.143 41.215 39.000 0.121 0.000 1.193 802 F HN 0.788 nan 8.300 nan 0.000 0.481 803 S N 1.127 116.994 115.700 0.278 0.000 2.449 803 S HA 0.729 5.200 4.470 0.001 0.000 0.310 803 S C -1.226 173.470 174.600 0.160 0.000 1.096 803 S CA -0.508 57.775 58.200 0.137 0.000 1.095 803 S CB 0.530 63.797 63.200 0.113 0.000 1.007 803 S HN 0.808 nan 8.310 nan 0.000 0.474 804 H N 0.353 119.505 119.070 0.137 0.000 3.016 804 H HA 0.763 5.319 4.556 0.001 0.000 0.362 804 H C -3.323 172.176 175.328 0.285 0.000 1.233 804 H CA -2.137 53.981 56.048 0.117 0.000 1.124 804 H CB 0.668 30.410 29.762 -0.033 0.000 1.850 804 H HN 0.395 nan 8.280 nan 0.000 0.549 805 P HA 0.035 nan 4.420 nan 0.000 0.272 805 P C 0.585 178.178 177.300 0.488 0.000 1.223 805 P CA 0.174 63.455 63.100 0.300 0.000 0.784 805 P CB 0.964 32.777 31.700 0.188 0.000 0.923 806 A N 3.010 125.962 122.820 0.219 0.000 2.084 806 A HA -0.125 4.196 4.320 0.001 0.000 0.221 806 A C 2.031 179.832 177.584 0.363 0.000 1.161 806 A CA 1.896 53.985 52.037 0.087 0.000 0.653 806 A CB -1.679 17.156 19.000 -0.276 0.000 0.802 806 A HN 0.683 nan 8.150 nan 0.000 0.457 807 G N -0.688 108.286 108.800 0.290 0.000 3.295 807 G HA2 0.400 4.361 3.960 0.001 0.000 0.231 807 G HA3 0.400 4.361 3.960 0.001 0.000 0.231 807 G C 0.016 175.057 174.900 0.235 0.000 1.277 807 G CA 0.715 45.950 45.100 0.224 0.000 1.013 807 G HN 0.987 nan 8.290 nan 0.000 0.509 808 L N -4.748 116.682 121.223 0.344 0.000 2.866 808 L HA 0.814 5.155 4.340 0.001 0.000 0.262 808 L C -0.739 176.246 176.870 0.192 0.000 0.986 808 L CA -0.986 53.985 54.840 0.219 0.000 0.925 808 L CB 1.143 43.261 42.059 0.098 0.000 1.484 808 L HN -0.161 nan 8.230 nan 0.000 0.414 809 S N -0.759 115.021 115.700 0.134 0.000 2.625 809 S HA 0.586 5.056 4.470 0.001 0.000 0.271 809 S C -1.755 172.783 174.600 -0.103 0.000 1.161 809 S CA -0.660 57.555 58.200 0.026 0.000 0.820 809 S CB 1.437 64.666 63.200 0.049 0.000 1.137 809 S HN 0.794 nan 8.310 nan 0.000 0.470 810 Y N 2.882 122.912 120.300 -0.450 0.000 2.309 810 Y HA 0.562 5.112 4.550 0.001 0.000 0.327 810 Y C 0.225 175.917 175.900 -0.347 0.000 1.172 810 Y CA -0.355 57.295 58.100 -0.751 0.000 1.280 810 Y CB 0.537 38.537 38.460 -0.767 0.000 1.234 810 Y HN 0.668 nan 8.280 nan 0.000 0.512 811 R N 5.294 125.124 120.500 -1.117 0.000 2.561 811 R HA 0.296 4.637 4.340 0.001 0.000 0.297 811 R C -1.858 173.762 176.300 -1.134 0.000 0.969 811 R CA -0.940 54.653 56.100 -0.845 0.000 0.879 811 R CB 0.863 30.922 30.300 -0.402 0.000 1.178 811 R HN 0.709 nan 8.270 nan 0.000 0.445 812 Y N 3.181 122.999 120.300 -0.804 0.000 2.811 812 Y HA -0.078 4.473 4.550 0.001 0.000 0.334 812 Y C 0.894 176.628 175.900 -0.277 0.000 1.247 812 Y CA 0.453 58.291 58.100 -0.436 0.000 1.526 812 Y CB 0.911 39.266 38.460 -0.175 0.000 1.284 812 Y HN 0.539 nan 8.280 nan 0.000 0.586 813 V N 5.078 124.583 119.914 -0.681 0.000 2.302 813 V HA -0.038 4.083 4.120 0.001 0.000 0.243 813 V C 1.327 177.186 176.094 -0.391 0.000 1.036 813 V CA 1.175 63.214 62.300 -0.434 0.000 1.020 813 V CB -1.411 30.227 31.823 -0.307 0.000 0.657 813 V HN 1.175 nan 8.190 nan 0.000 0.453 814 A N 0.528 122.936 122.820 -0.688 0.000 2.667 814 A HA -0.195 4.126 4.320 0.001 0.000 0.298 814 A C 0.267 177.816 177.584 -0.058 0.000 1.483 814 A CA 0.687 52.636 52.037 -0.145 0.000 0.738 814 A CB -1.656 17.489 19.000 0.242 0.000 1.067 814 A HN 0.515 nan 8.150 nan 0.000 0.451 815 E N -1.446 118.697 120.200 -0.095 0.000 2.227 815 E HA 0.646 4.997 4.350 0.001 0.000 0.268 815 E C 1.159 177.754 176.600 -0.010 0.000 0.990 815 E CA 0.391 56.764 56.400 -0.044 0.000 0.856 815 E CB 1.692 31.358 29.700 -0.057 0.000 1.159 815 E HN 0.890 nan 8.360 nan 0.000 0.401 816 G N 0.639 109.438 108.800 -0.000 0.000 2.937 816 G HA2 -0.051 3.910 3.960 0.001 0.000 0.162 816 G HA3 -0.051 3.910 3.960 0.001 0.000 0.162 816 G C 0.443 175.349 174.900 0.009 0.000 1.352 816 G CA -0.047 45.060 45.100 0.012 0.000 0.843 816 G HN 0.383 nan 8.290 nan 0.000 0.965 817 Q N 0.759 120.561 119.800 0.004 0.000 2.366 817 Q HA 0.277 4.618 4.340 0.001 0.000 0.356 817 Q C -0.587 175.414 176.000 0.002 0.000 0.866 817 Q CA -0.155 55.650 55.803 0.004 0.000 1.109 817 Q CB 0.466 29.207 28.738 0.004 0.000 1.361 817 Q HN 0.553 nan 8.270 nan 0.000 0.404 818 K N -0.228 120.172 120.400 0.001 0.000 2.499 818 K HA 0.620 4.940 4.320 0.001 0.000 0.277 818 K C -1.216 175.385 176.600 0.000 0.000 1.025 818 K CA -0.995 55.293 56.287 0.002 0.000 0.900 818 K CB 1.742 34.245 32.500 0.005 0.000 1.494 818 K HN 0.081 nan 8.250 nan 0.000 0.442 819 Q N -0.834 118.967 119.800 0.001 0.000 2.852 819 Q HA 0.432 4.772 4.340 0.001 0.000 0.250 819 Q C -1.276 174.725 176.000 0.002 0.000 0.988 819 Q CA -0.880 54.922 55.803 -0.000 0.000 0.905 819 Q CB 1.003 29.738 28.738 -0.005 0.000 1.896 819 Q HN 0.828 nan 8.270 nan 0.000 0.464 820 G N 0.800 109.601 108.800 0.002 0.000 3.038 820 G HA2 0.172 4.133 3.960 0.001 0.000 0.168 820 G HA3 0.172 4.133 3.960 0.001 0.000 0.168 820 G C -0.638 174.263 174.900 0.002 0.000 1.559 820 G CA -0.173 44.927 45.100 -0.000 0.000 0.990 820 G HN 0.424 nan 8.290 nan 0.000 0.765 821 Q N 0.320 120.119 119.800 -0.000 0.000 2.354 821 Q HA 0.595 4.935 4.340 0.001 0.000 0.372 821 Q C -0.784 175.216 176.000 0.001 0.000 0.923 821 Q CA -0.156 55.648 55.803 0.002 0.000 1.123 821 Q CB 1.360 30.098 28.738 0.000 0.000 1.298 821 Q HN 0.274 nan 8.270 nan 0.000 0.419 822 L N -0.831 120.394 121.223 0.003 0.000 2.223 822 L HA 0.523 4.863 4.340 0.001 0.000 0.243 822 L C -0.834 176.044 176.870 0.013 0.000 1.105 822 L CA -1.233 53.608 54.840 0.002 0.000 0.943 822 L CB 1.337 43.394 42.059 -0.004 0.000 1.542 822 L HN 0.183 nan 8.230 nan 0.000 0.437 823 R N 0.210 120.723 120.500 0.022 0.000 2.505 823 R HA 0.051 4.391 4.340 0.001 0.000 0.274 823 R C -0.565 175.750 176.300 0.026 0.000 0.955 823 R CA 1.570 57.695 56.100 0.042 0.000 1.109 823 R CB 0.104 30.437 30.300 0.055 0.000 0.890 823 R HN 0.629 nan 8.270 nan 0.000 0.415 824 S N 3.621 119.338 115.700 0.027 0.000 2.993 824 S HA 0.159 4.629 4.470 0.001 0.000 0.257 824 S C -1.142 173.485 174.600 0.046 0.000 0.997 824 S CA -0.583 57.636 58.200 0.032 0.000 1.191 824 S CB 0.490 63.705 63.200 0.024 0.000 1.143 824 S HN 0.508 nan 8.310 nan 0.000 0.655 825 L N 3.321 124.565 121.223 0.036 0.000 2.316 825 L HA 0.467 4.808 4.340 0.001 0.000 0.280 825 L C -0.496 176.407 176.870 0.055 0.000 1.006 825 L CA -0.354 54.484 54.840 -0.004 0.000 0.836 825 L CB 0.601 42.605 42.059 -0.092 0.000 1.221 825 L HN 0.234 nan 8.230 nan 0.000 0.418 826 H N 6.312 125.377 119.070 -0.009 0.000 2.878 826 H HA 0.465 5.021 4.556 0.001 0.000 0.290 826 H C -1.333 173.950 175.328 -0.075 0.000 1.065 826 H CA -0.125 55.961 56.048 0.062 0.000 1.477 826 H CB 0.650 30.532 29.762 0.200 0.000 1.484 826 H HN 0.629 nan 8.280 nan 0.000 0.504 827 L N 2.679 123.735 121.223 -0.278 0.000 2.409 827 L HA 0.481 4.821 4.340 0.001 0.000 0.262 827 L C -0.539 176.195 176.870 -0.227 0.000 0.992 827 L CA -0.873 53.820 54.840 -0.244 0.000 0.817 827 L CB 1.922 43.806 42.059 -0.291 0.000 1.350 827 L HN 0.258 nan 8.230 nan 0.000 0.411 828 T N 1.219 115.686 114.554 -0.145 0.000 2.767 828 T HA 0.624 4.975 4.350 0.001 0.000 0.284 828 T C -0.686 173.985 174.700 -0.048 0.000 0.973 828 T CA -0.172 61.881 62.100 -0.077 0.000 0.996 828 T CB 0.599 69.461 68.868 -0.011 0.000 0.927 828 T HN 0.751 nan 8.240 nan 0.000 0.456 829 c N 3.168 121.764 118.600 -0.007 0.000 2.455 829 c HA 0.683 5.253 4.570 0.001 0.000 0.320 829 c C -0.590 173.533 174.090 0.054 0.000 1.226 829 c CA -1.056 55.271 56.329 -0.003 0.000 1.569 829 c CB 1.156 43.627 42.510 -0.065 0.000 2.200 829 c HN 0.771 nan 8.230 nan 0.000 0.491 830 D N 1.675 122.107 120.400 0.053 0.000 2.542 830 D HA 0.367 5.008 4.640 0.001 0.000 0.252 830 D C -0.159 176.176 176.300 0.058 0.000 1.222 830 D CA 0.105 54.150 54.000 0.075 0.000 0.895 830 D CB 1.816 42.673 40.800 0.095 0.000 1.207 830 D HN 0.679 nan 8.370 nan 0.000 0.558 831 S N 0.826 116.548 115.700 0.037 0.000 2.603 831 S HA 0.848 5.319 4.470 0.001 0.000 0.268 831 S C 0.010 174.611 174.600 0.001 0.000 1.317 831 S CA -0.563 57.604 58.200 -0.055 0.000 1.012 831 S CB 1.683 64.785 63.200 -0.162 0.000 0.926 831 S HN 0.627 nan 8.310 nan 0.000 0.539 832 A N 1.190 123.990 122.820 -0.034 0.000 2.585 832 A HA 0.647 4.968 4.320 0.001 0.000 0.299 832 A C -3.335 174.481 177.584 0.387 0.000 1.047 832 A CA -1.293 50.860 52.037 0.192 0.000 0.723 832 A CB 0.671 19.756 19.000 0.141 0.000 1.275 832 A HN 0.639 nan 8.150 nan 0.000 0.408 833 P HA 0.472 nan 4.420 nan 0.000 0.280 833 P C 0.017 177.487 177.300 0.284 0.000 1.244 833 P CA 0.012 63.422 63.100 0.516 0.000 0.784 833 P CB 1.593 33.483 31.700 0.316 0.000 0.913 834 V N 2.853 122.916 119.914 0.249 0.000 3.927 834 V HA 0.281 4.402 4.120 0.001 0.000 0.190 834 V C 1.494 177.646 176.094 0.097 0.000 1.201 834 V CA 1.007 63.394 62.300 0.146 0.000 1.324 834 V CB -0.961 30.941 31.823 0.130 0.000 1.545 834 V HN 0.675 nan 8.190 nan 0.000 0.534 835 G N -0.226 108.630 108.800 0.093 0.000 2.771 835 G HA2 0.130 4.090 3.960 0.001 0.000 0.242 835 G HA3 0.130 4.090 3.960 0.001 0.000 0.242 835 G C 1.273 176.195 174.900 0.036 0.000 1.233 835 G CA 0.734 45.868 45.100 0.056 0.000 0.858 835 G HN 0.311 nan 8.290 nan 0.000 0.591 836 S N -0.772 114.942 115.700 0.023 0.000 2.368 836 S HA -0.159 4.312 4.470 0.001 0.000 0.226 836 S C 1.113 175.716 174.600 0.006 0.000 1.044 836 S CA 2.184 60.391 58.200 0.012 0.000 1.062 836 S CB -0.222 62.983 63.200 0.009 0.000 0.931 836 S HN 0.667 nan 8.310 nan 0.000 0.440 837 Q N -1.595 118.205 119.800 0.001 0.000 2.759 837 Q HA 0.452 4.792 4.340 0.001 0.000 0.225 837 Q C -0.225 175.762 176.000 -0.022 0.000 0.823 837 Q CA 0.266 56.060 55.803 -0.015 0.000 0.828 837 Q CB 0.762 29.493 28.738 -0.011 0.000 1.425 837 Q HN 0.545 nan 8.270 nan 0.000 0.449 838 G N 1.635 110.404 108.800 -0.052 0.000 3.638 838 G HA2 -0.206 3.755 3.960 0.001 0.000 0.196 838 G HA3 -0.206 3.755 3.960 0.001 0.000 0.196 838 G C 0.120 174.973 174.900 -0.078 0.000 1.315 838 G CA 0.099 45.160 45.100 -0.065 0.000 0.944 838 G HN 0.686 nan 8.290 nan 0.000 0.434 839 T N -0.679 113.880 114.554 0.010 0.000 2.862 839 T HA 0.682 5.033 4.350 0.001 0.000 0.276 839 T C -0.219 174.615 174.700 0.223 0.000 0.974 839 T CA 0.419 62.587 62.100 0.114 0.000 0.966 839 T CB 2.018 70.949 68.868 0.106 0.000 1.072 839 T HN 1.863 nan 8.240 nan 0.000 0.538 840 W N -1.194 120.003 121.300 -0.172 0.000 3.189 840 W HA 0.613 5.274 4.660 0.001 0.000 0.314 840 W C -1.692 174.641 176.519 -0.310 0.000 1.204 840 W CA -1.331 55.916 57.345 -0.164 0.000 1.171 840 W CB 0.483 29.900 29.460 -0.072 0.000 1.394 840 W HN 0.863 nan 8.180 nan 0.000 0.568 841 S N 1.088 116.738 115.700 -0.085 0.000 2.475 841 S HA 0.763 5.233 4.470 0.001 0.000 0.298 841 S C -0.428 174.133 174.600 -0.065 0.000 1.119 841 S CA 0.038 58.186 58.200 -0.087 0.000 1.085 841 S CB 0.790 64.008 63.200 0.030 0.000 1.028 841 S HN 0.769 nan 8.310 nan 0.000 0.489 842 T N 1.831 116.457 114.554 0.120 0.000 2.963 842 T HA 0.521 4.871 4.350 0.001 0.000 0.343 842 T C 0.143 174.954 174.700 0.185 0.000 1.146 842 T CA -0.762 61.439 62.100 0.168 0.000 1.016 842 T CB 0.288 69.334 68.868 0.296 0.000 1.046 842 T HN 0.623 nan 8.240 nan 0.000 0.496 843 S N 1.527 117.280 115.700 0.088 0.000 2.603 843 S HA 0.562 5.032 4.470 0.001 0.000 0.268 843 S C -0.045 174.562 174.600 0.012 0.000 1.317 843 S CA -0.789 57.438 58.200 0.045 0.000 1.012 843 S CB 0.529 63.749 63.200 0.033 0.000 0.926 843 S HN 0.861 nan 8.310 nan 0.000 0.539 844 c N 2.693 121.272 118.600 -0.035 0.000 3.171 844 c HA 0.427 4.998 4.570 0.001 0.000 0.336 844 c C 0.048 174.065 174.090 -0.122 0.000 1.035 844 c CA -0.880 55.392 56.329 -0.095 0.000 1.361 844 c CB -0.223 42.198 42.510 -0.149 0.000 1.804 844 c HN 1.045 nan 8.230 nan 0.000 0.535 845 R N 2.307 122.757 120.500 -0.083 0.000 2.234 845 R HA 0.563 4.903 4.340 0.001 0.000 0.324 845 R C -0.411 175.816 176.300 -0.121 0.000 1.054 845 R CA -0.350 55.705 56.100 -0.076 0.000 0.912 845 R CB 0.657 30.951 30.300 -0.009 0.000 1.030 845 R HN 0.691 nan 8.270 nan 0.000 0.455 846 I N 4.459 124.923 120.570 -0.175 0.000 2.849 846 I HA -0.183 3.987 4.170 0.001 0.000 0.288 846 I C 1.245 177.287 176.117 -0.125 0.000 1.156 846 I CA 0.120 61.288 61.300 -0.219 0.000 1.394 846 I CB -0.387 37.451 38.000 -0.271 0.000 1.462 846 I HN 0.788 nan 8.210 nan 0.000 0.587 847 N N 5.138 123.783 118.700 -0.092 0.000 2.002 847 N HA -0.242 4.498 4.740 0.001 0.000 0.199 847 N C 0.911 176.457 175.510 0.059 0.000 1.067 847 N CA 1.902 54.973 53.050 0.034 0.000 0.870 847 N CB -0.099 38.509 38.487 0.201 0.000 1.073 847 N HN 0.723 nan 8.380 nan 0.000 0.432 848 H N -0.960 118.156 119.070 0.077 0.000 2.328 848 H HA 0.592 5.149 4.556 0.001 0.000 0.230 848 H C -0.833 174.517 175.328 0.037 0.000 1.481 848 H CA -0.904 55.175 56.048 0.052 0.000 1.306 848 H CB -0.338 29.440 29.762 0.027 0.000 1.531 848 H HN 0.202 nan 8.280 nan 0.000 0.533 849 L N -2.206 119.030 121.223 0.022 0.000 3.167 849 L HA 0.397 4.738 4.340 0.001 0.000 0.273 849 L C -1.605 175.270 176.870 0.008 0.000 0.969 849 L CA -1.185 53.679 54.840 0.039 0.000 1.033 849 L CB 0.592 42.668 42.059 0.028 0.000 1.544 849 L HN 0.156 nan 8.230 nan 0.000 0.393 850 I N 0.989 121.553 120.570 -0.011 0.000 2.577 850 I HA 0.441 4.611 4.170 0.001 0.000 0.300 850 I C -0.937 175.196 176.117 0.027 0.000 0.990 850 I CA -0.195 61.051 61.300 -0.091 0.000 1.283 850 I CB 1.534 39.371 38.000 -0.272 0.000 1.411 850 I HN 0.616 nan 8.210 nan 0.000 0.515 851 F N 5.233 125.070 119.950 -0.188 0.000 2.359 851 F HA 0.474 5.002 4.527 0.001 0.000 0.369 851 F C 0.043 175.767 175.800 -0.127 0.000 1.084 851 F CA -0.715 57.215 58.000 -0.117 0.000 1.096 851 F CB 0.344 39.300 39.000 -0.072 0.000 1.335 851 F HN 0.430 nan 8.300 nan 0.000 0.457 852 R N 3.230 123.628 120.500 -0.169 0.000 2.720 852 R HA 0.640 4.980 4.340 0.001 0.000 0.272 852 R C 0.526 176.658 176.300 -0.281 0.000 0.991 852 R CA -0.134 55.826 56.100 -0.233 0.000 1.010 852 R CB 1.487 31.705 30.300 -0.137 0.000 1.141 852 R HN 0.845 nan 8.270 nan 0.000 0.494 853 G N 0.427 109.102 108.800 -0.209 0.000 2.606 853 G HA2 -0.336 3.625 3.960 0.001 0.000 0.285 853 G HA3 -0.336 3.625 3.960 0.001 0.000 0.285 853 G C 0.629 175.410 174.900 -0.199 0.000 1.311 853 G CA -0.069 44.937 45.100 -0.157 0.000 0.922 853 G HN 0.798 nan 8.290 nan 0.000 0.559 854 G N 0.071 108.806 108.800 -0.107 0.000 3.234 854 G HA2 0.568 4.529 3.960 0.001 0.000 0.221 854 G HA3 0.568 4.529 3.960 0.001 0.000 0.221 854 G C 0.789 175.676 174.900 -0.021 0.000 1.229 854 G CA 1.308 46.371 45.100 -0.062 0.000 0.909 854 G HN 1.789 nan 8.290 nan 0.000 0.510 855 A N 0.446 123.219 122.820 -0.078 0.000 2.440 855 A HA 0.538 4.859 4.320 0.001 0.000 0.251 855 A C 0.503 178.201 177.584 0.190 0.000 1.089 855 A CA -0.354 51.708 52.037 0.043 0.000 0.779 855 A CB 0.283 19.318 19.000 0.058 0.000 1.022 855 A HN 0.588 nan 8.150 nan 0.000 0.492 856 Q N 1.336 121.282 119.800 0.243 0.000 2.248 856 Q HA 0.807 5.147 4.340 0.001 0.000 0.263 856 Q C -0.659 175.452 176.000 0.186 0.000 1.007 856 Q CA -0.752 55.207 55.803 0.260 0.000 0.877 856 Q CB 1.619 30.423 28.738 0.109 0.000 1.315 856 Q HN 0.844 nan 8.270 nan 0.000 0.454 857 I N -2.047 118.549 120.570 0.043 0.000 2.913 857 I HA 0.676 4.846 4.170 0.001 0.000 0.302 857 I C -1.231 174.833 176.117 -0.088 0.000 1.246 857 I CA -0.864 60.408 61.300 -0.047 0.000 1.010 857 I CB 2.790 40.696 38.000 -0.156 0.000 1.259 857 I HN 0.789 nan 8.210 nan 0.000 0.434 858 T N 1.743 116.270 114.554 -0.044 0.000 2.879 858 T HA 0.761 5.111 4.350 0.001 0.000 0.290 858 T C -0.746 173.972 174.700 0.029 0.000 0.993 858 T CA -0.525 61.529 62.100 -0.076 0.000 0.975 858 T CB 1.310 70.109 68.868 -0.115 0.000 0.981 858 T HN 0.714 nan 8.240 nan 0.000 0.439 859 F N 1.238 121.123 119.950 -0.107 0.000 2.654 859 F HA 0.879 5.406 4.527 0.001 0.000 0.334 859 F C -1.603 174.161 175.800 -0.059 0.000 1.078 859 F CA -2.106 55.843 58.000 -0.084 0.000 0.986 859 F CB 1.445 40.388 39.000 -0.094 0.000 1.362 859 F HN 0.658 nan 8.300 nan 0.000 0.498 860 L N 1.897 123.167 121.223 0.078 0.000 2.349 860 L HA 0.852 5.192 4.340 0.001 0.000 0.278 860 L C -1.215 175.726 176.870 0.118 0.000 0.996 860 L CA -0.769 54.059 54.840 -0.020 0.000 0.825 860 L CB 1.423 43.472 42.059 -0.016 0.000 1.243 860 L HN 1.033 nan 8.230 nan 0.000 0.412 861 A N 3.262 126.122 122.820 0.067 0.000 2.319 861 A HA 0.718 5.039 4.320 0.001 0.000 0.310 861 A C -0.545 177.124 177.584 0.142 0.000 1.152 861 A CA -0.393 51.764 52.037 0.200 0.000 0.783 861 A CB 1.322 20.379 19.000 0.094 0.000 1.184 861 A HN 0.594 nan 8.150 nan 0.000 0.474 862 T N 2.442 117.055 114.554 0.098 0.000 2.794 862 T HA 0.590 4.941 4.350 0.001 0.000 0.280 862 T C -1.008 173.585 174.700 -0.178 0.000 0.987 862 T CA 0.220 62.318 62.100 -0.003 0.000 0.993 862 T CB 0.150 68.969 68.868 -0.082 0.000 0.939 862 T HN 0.332 nan 8.240 nan 0.000 0.449 863 F N 2.283 122.194 119.950 -0.066 0.000 2.402 863 F HA 0.327 4.854 4.527 0.001 0.000 0.355 863 F C 0.592 176.333 175.800 -0.099 0.000 1.123 863 F CA -1.273 56.664 58.000 -0.105 0.000 1.021 863 F CB 0.990 39.889 39.000 -0.168 0.000 1.160 863 F HN 0.388 nan 8.300 nan 0.000 0.451 864 D N 2.221 122.636 120.400 0.025 0.000 2.424 864 D HA 0.188 4.829 4.640 0.001 0.000 0.244 864 D C -0.548 175.789 176.300 0.062 0.000 1.134 864 D CA 0.338 54.351 54.000 0.020 0.000 0.881 864 D CB 1.927 42.721 40.800 -0.010 0.000 1.191 864 D HN 0.254 nan 8.370 nan 0.000 0.445 865 V N 2.078 122.019 119.914 0.044 0.000 2.495 865 V HA 0.297 4.418 4.120 0.001 0.000 0.298 865 V C -0.131 175.998 176.094 0.059 0.000 1.031 865 V CA -0.646 61.687 62.300 0.054 0.000 0.871 865 V CB 1.818 33.652 31.823 0.018 0.000 0.988 865 V HN 0.682 nan 8.190 nan 0.000 0.432 866 S N 6.686 122.436 115.700 0.084 0.000 2.549 866 S HA 0.347 4.818 4.470 0.001 0.000 0.279 866 S C -1.765 172.885 174.600 0.085 0.000 1.321 866 S CA -0.689 57.562 58.200 0.085 0.000 1.054 866 S CB 1.150 64.410 63.200 0.100 0.000 0.899 866 S HN 0.669 nan 8.310 nan 0.000 0.497 867 P HA -0.029 nan 4.420 nan 0.000 0.221 867 P C 0.311 177.683 177.300 0.120 0.000 1.145 867 P CA 1.140 64.293 63.100 0.089 0.000 0.795 867 P CB 0.083 31.828 31.700 0.075 0.000 0.775 868 K N -0.020 120.447 120.400 0.112 0.000 2.847 868 K HA 0.450 4.770 4.320 0.001 0.000 0.213 868 K C -0.647 176.029 176.600 0.127 0.000 1.174 868 K CA -0.579 55.778 56.287 0.118 0.000 1.095 868 K CB -0.258 32.295 32.500 0.088 0.000 1.581 868 K HN -0.135 nan 8.250 nan 0.000 0.514 869 A N 2.199 125.118 122.820 0.165 0.000 2.376 869 A HA 0.241 4.562 4.320 0.001 0.000 0.298 869 A C -0.131 177.568 177.584 0.191 0.000 1.271 869 A CA -0.514 51.619 52.037 0.160 0.000 0.926 869 A CB 0.285 19.368 19.000 0.138 0.000 1.141 869 A HN 0.301 nan 8.150 nan 0.000 0.539 870 V N 4.724 124.714 119.914 0.128 0.000 2.421 870 V HA 0.365 4.485 4.120 0.001 0.000 0.271 870 V C -0.097 176.065 176.094 0.113 0.000 1.031 870 V CA 0.444 62.805 62.300 0.102 0.000 1.032 870 V CB -0.679 31.175 31.823 0.053 0.000 1.009 870 V HN 0.838 nan 8.190 nan 0.000 0.477 871 L N 3.571 124.881 121.223 0.145 0.000 2.672 871 L HA 0.869 5.209 4.340 0.001 0.000 0.256 871 L C 0.175 177.133 176.870 0.146 0.000 0.946 871 L CA -0.436 54.482 54.840 0.131 0.000 0.889 871 L CB 0.801 42.936 42.059 0.127 0.000 1.441 871 L HN 0.522 nan 8.230 nan 0.000 0.418 872 G N 0.298 109.156 108.800 0.096 0.000 2.785 872 G HA2 0.196 4.157 3.960 0.001 0.000 0.256 872 G HA3 0.196 4.157 3.960 0.001 0.000 0.256 872 G C 0.417 175.382 174.900 0.109 0.000 1.248 872 G CA 0.459 45.608 45.100 0.082 0.000 0.914 872 G HN 1.087 nan 8.290 nan 0.000 0.580 873 D N -1.412 119.036 120.400 0.081 0.000 2.392 873 D HA -0.049 4.591 4.640 0.001 0.000 0.228 873 D C 0.878 177.198 176.300 0.034 0.000 1.003 873 D CA 0.713 54.758 54.000 0.075 0.000 0.917 873 D CB 0.098 40.922 40.800 0.039 0.000 0.890 873 D HN 0.391 nan 8.370 nan 0.000 0.532 874 R N -0.324 120.195 120.500 0.031 0.000 2.698 874 R HA 0.582 4.923 4.340 0.001 0.000 0.275 874 R C -1.223 175.090 176.300 0.022 0.000 1.001 874 R CA -1.090 55.017 56.100 0.013 0.000 0.896 874 R CB 1.996 32.304 30.300 0.014 0.000 1.218 874 R HN 0.054 nan 8.270 nan 0.000 0.462 875 L N 0.683 121.912 121.223 0.011 0.000 2.376 875 L HA 0.628 4.969 4.340 0.001 0.000 0.275 875 L C -0.946 175.948 176.870 0.040 0.000 0.987 875 L CA -0.913 53.943 54.840 0.026 0.000 0.828 875 L CB 1.456 43.520 42.059 0.009 0.000 1.249 875 L HN 0.525 nan 8.230 nan 0.000 0.409 876 L N 2.909 124.169 121.223 0.060 0.000 2.332 876 L HA 1.014 5.355 4.340 0.001 0.000 0.269 876 L C -0.773 176.165 176.870 0.113 0.000 1.016 876 L CA -0.891 53.997 54.840 0.080 0.000 0.809 876 L CB 1.681 43.775 42.059 0.058 0.000 1.280 876 L HN 0.816 nan 8.230 nan 0.000 0.447 877 L N -1.701 119.618 121.223 0.161 0.000 2.612 877 L HA 0.950 5.291 4.340 0.001 0.000 0.256 877 L C -0.316 176.741 176.870 0.311 0.000 0.949 877 L CA -0.138 54.822 54.840 0.201 0.000 0.867 877 L CB 1.497 43.639 42.059 0.139 0.000 1.417 877 L HN 1.000 nan 8.230 nan 0.000 0.414 878 T N -1.201 113.540 114.554 0.312 0.000 2.883 878 T HA 0.972 5.322 4.350 0.001 0.000 0.284 878 T C -0.417 174.549 174.700 0.442 0.000 1.041 878 T CA -0.353 61.954 62.100 0.345 0.000 1.007 878 T CB 1.896 70.874 68.868 0.184 0.000 1.220 878 T HN 1.728 nan 8.240 nan 0.000 0.552 879 A N 1.910 124.953 122.820 0.372 0.000 2.768 879 A HA 0.593 4.913 4.320 0.001 0.000 0.299 879 A C -0.753 176.878 177.584 0.077 0.000 1.171 879 A CA -0.885 51.243 52.037 0.151 0.000 0.759 879 A CB 0.072 19.295 19.000 0.372 0.000 1.267 879 A HN 0.681 nan 8.150 nan 0.000 0.421 880 N N 0.624 119.323 118.700 -0.001 0.000 2.475 880 N HA 0.367 5.108 4.740 0.001 0.000 0.267 880 N C -0.630 174.870 175.510 -0.017 0.000 1.169 880 N CA 0.121 53.181 53.050 0.016 0.000 0.947 880 N CB 1.789 40.286 38.487 0.016 0.000 1.061 880 N HN 0.452 nan 8.380 nan 0.000 0.466 881 V N 1.492 121.426 119.914 0.033 0.000 2.588 881 V HA 0.810 4.931 4.120 0.001 0.000 0.304 881 V C -0.627 175.507 176.094 0.067 0.000 1.042 881 V CA -0.232 62.092 62.300 0.040 0.000 0.877 881 V CB 1.384 33.248 31.823 0.069 0.000 0.996 881 V HN 0.925 nan 8.190 nan 0.000 0.425 882 S N 3.729 119.469 115.700 0.066 0.000 2.672 882 S HA 0.710 5.180 4.470 0.001 0.000 0.271 882 S C -0.444 174.212 174.600 0.093 0.000 1.171 882 S CA -0.124 58.124 58.200 0.080 0.000 0.817 882 S CB 1.529 64.767 63.200 0.064 0.000 1.150 882 S HN 1.641 nan 8.310 nan 0.000 0.478 883 S N -0.445 115.315 115.700 0.100 0.000 2.693 883 S HA 0.434 4.905 4.470 0.001 0.000 0.276 883 S C 0.910 175.576 174.600 0.112 0.000 1.192 883 S CA -0.106 58.166 58.200 0.120 0.000 0.994 883 S CB 0.943 64.219 63.200 0.127 0.000 1.012 883 S HN 0.961 nan 8.310 nan 0.000 0.550 884 E N 0.760 121.041 120.200 0.135 0.000 2.209 884 E HA -0.223 4.127 4.350 0.001 0.000 0.196 884 E C 0.275 176.940 176.600 0.110 0.000 0.993 884 E CA 1.149 57.626 56.400 0.128 0.000 0.819 884 E CB -0.308 29.487 29.700 0.158 0.000 0.745 884 E HN 0.621 nan 8.360 nan 0.000 0.477 885 N N 1.976 120.739 118.700 0.106 0.000 2.466 885 N HA -0.003 4.738 4.740 0.001 0.000 0.211 885 N C -0.571 174.977 175.510 0.064 0.000 1.256 885 N CA 0.163 53.260 53.050 0.079 0.000 0.840 885 N CB -0.370 38.159 38.487 0.070 0.000 1.079 885 N HN 0.196 nan 8.380 nan 0.000 0.466 886 N N -0.646 118.095 118.700 0.069 0.000 5.925 886 N HA -0.185 4.555 4.740 0.001 0.000 0.361 886 N C -0.367 175.175 175.510 0.052 0.000 0.922 886 N CA 1.321 54.406 53.050 0.059 0.000 1.177 886 N CB -0.898 37.621 38.487 0.053 0.000 0.806 886 N HN 0.340 nan 8.380 nan 0.000 0.456 887 T N -2.248 112.333 114.554 0.045 0.000 3.149 887 T HA 0.571 4.922 4.350 0.001 0.000 0.373 887 T C -1.904 172.813 174.700 0.030 0.000 1.364 887 T CA -1.297 60.827 62.100 0.039 0.000 1.110 887 T CB 1.357 70.249 68.868 0.039 0.000 1.127 887 T HN 0.209 nan 8.240 nan 0.000 0.576 888 P HA 0.089 nan 4.420 nan 0.000 0.228 888 P C 0.657 177.964 177.300 0.011 0.000 1.151 888 P CA 0.577 63.686 63.100 0.016 0.000 0.770 888 P CB 0.376 32.082 31.700 0.010 0.000 0.786 889 R N -2.725 117.783 120.500 0.014 0.000 3.315 889 R HA 0.421 4.762 4.340 0.001 0.000 0.239 889 R C 1.077 177.385 176.300 0.013 0.000 1.532 889 R CA -0.510 55.596 56.100 0.010 0.000 1.033 889 R CB -0.231 30.072 30.300 0.005 0.000 1.586 889 R HN -0.340 nan 8.270 nan 0.000 0.512 890 T N 0.272 114.833 114.554 0.011 0.000 2.837 890 T HA -0.028 4.322 4.350 0.001 0.000 0.242 890 T C 0.751 175.459 174.700 0.015 0.000 1.044 890 T CA 0.783 62.889 62.100 0.010 0.000 1.202 890 T CB -0.171 68.700 68.868 0.006 0.000 0.905 890 T HN 0.333 nan 8.240 nan 0.000 0.413 891 S N 2.604 118.313 115.700 0.015 0.000 2.430 891 S HA 0.269 4.740 4.470 0.001 0.000 0.289 891 S C -0.212 174.405 174.600 0.029 0.000 1.143 891 S CA -0.830 57.382 58.200 0.020 0.000 1.067 891 S CB -0.019 63.191 63.200 0.016 0.000 0.964 891 S HN 0.060 nan 8.310 nan 0.000 0.485 892 K N 2.888 123.309 120.400 0.034 0.000 2.380 892 K HA 0.067 4.387 4.320 0.001 0.000 0.267 892 K C 0.604 177.238 176.600 0.057 0.000 0.990 892 K CA 0.042 56.356 56.287 0.045 0.000 0.946 892 K CB 0.415 32.942 32.500 0.045 0.000 0.937 892 K HN 0.595 nan 8.250 nan 0.000 0.491 893 T N 1.485 116.083 114.554 0.073 0.000 3.383 893 T HA 0.117 4.467 4.350 0.001 0.000 0.324 893 T C -0.375 174.401 174.700 0.127 0.000 1.822 893 T CA -0.592 61.567 62.100 0.099 0.000 1.424 893 T CB -0.641 68.293 68.868 0.109 0.000 1.093 893 T HN 0.585 nan 8.240 nan 0.000 0.748 894 T N 0.914 115.539 114.554 0.118 0.000 2.882 894 T HA 0.634 4.985 4.350 0.001 0.000 0.287 894 T C -0.599 174.217 174.700 0.194 0.000 0.992 894 T CA -0.812 61.372 62.100 0.140 0.000 1.076 894 T CB 1.031 69.956 68.868 0.095 0.000 0.961 894 T HN 0.353 nan 8.240 nan 0.000 0.490 895 F N 3.420 123.410 119.950 0.068 0.000 2.477 895 F HA 0.490 5.018 4.527 0.001 0.000 0.335 895 F C -0.368 175.440 175.800 0.014 0.000 1.130 895 F CA -0.707 57.291 58.000 -0.003 0.000 0.948 895 F CB 1.693 40.641 39.000 -0.086 0.000 1.154 895 F HN 0.917 nan 8.300 nan 0.000 0.439 896 Q N 5.971 125.328 119.800 -0.739 0.000 2.458 896 Q HA 0.834 5.175 4.340 0.001 0.000 0.282 896 Q C -2.041 173.557 176.000 -0.670 0.000 1.106 896 Q CA -1.226 54.312 55.803 -0.441 0.000 0.814 896 Q CB 3.106 31.759 28.738 -0.143 0.000 1.425 896 Q HN 0.776 nan 8.270 nan 0.000 0.437 897 L N -2.660 118.421 121.223 -0.237 0.000 2.518 897 L HA 0.695 5.035 4.340 0.001 0.000 0.257 897 L C -1.281 175.611 176.870 0.037 0.000 0.980 897 L CA -0.805 53.959 54.840 -0.128 0.000 0.837 897 L CB 2.337 44.349 42.059 -0.079 0.000 1.410 897 L HN 0.852 nan 8.230 nan 0.000 0.410 898 E N 1.351 121.567 120.200 0.026 0.000 2.222 898 E HA 0.774 5.125 4.350 0.001 0.000 0.267 898 E C -1.732 174.894 176.600 0.043 0.000 0.884 898 E CA -0.718 55.706 56.400 0.039 0.000 0.764 898 E CB 1.949 31.658 29.700 0.015 0.000 1.169 898 E HN 0.735 nan 8.360 nan 0.000 0.413 899 L N 4.907 126.150 121.223 0.032 0.000 2.362 899 L HA 0.511 4.851 4.340 0.001 0.000 0.271 899 L C -2.345 174.515 176.870 -0.018 0.000 1.002 899 L CA -2.407 52.438 54.840 0.008 0.000 0.818 899 L CB 2.084 44.130 42.059 -0.022 0.000 1.298 899 L HN 0.434 nan 8.230 nan 0.000 0.420 900 P HA 0.072 nan 4.420 nan 0.000 0.271 900 P C -0.968 176.288 177.300 -0.074 0.000 1.220 900 P CA 0.002 63.082 63.100 -0.034 0.000 0.768 900 P CB 1.121 32.806 31.700 -0.025 0.000 0.848 901 V N 4.652 124.509 119.914 -0.094 0.000 2.555 901 V HA 0.394 4.515 4.120 0.001 0.000 0.302 901 V C -0.110 175.831 176.094 -0.255 0.000 1.038 901 V CA -0.469 61.711 62.300 -0.199 0.000 0.887 901 V CB 1.403 33.090 31.823 -0.227 0.000 0.991 901 V HN 0.454 nan 8.190 nan 0.000 0.434 902 K N 4.514 124.704 120.400 -0.350 0.000 2.296 902 K HA 0.685 5.006 4.320 0.001 0.000 0.243 902 K C -1.876 174.363 176.600 -0.602 0.000 1.082 902 K CA -0.764 55.358 56.287 -0.275 0.000 0.929 902 K CB 1.887 34.348 32.500 -0.065 0.000 1.353 902 K HN 0.571 nan 8.250 nan 0.000 0.536 903 Y N -0.554 119.780 120.300 0.055 0.000 2.482 903 Y HA 0.368 4.919 4.550 0.001 0.000 0.334 903 Y C -0.564 175.441 175.900 0.176 0.000 1.091 903 Y CA -1.133 57.037 58.100 0.117 0.000 1.027 903 Y CB 1.933 40.484 38.460 0.152 0.000 1.306 903 Y HN 0.669 nan 8.280 nan 0.000 0.446 904 A N 1.925 124.903 122.820 0.264 0.000 2.386 904 A HA 0.727 5.047 4.320 0.001 0.000 0.248 904 A C -0.742 176.955 177.584 0.189 0.000 1.082 904 A CA -0.156 51.998 52.037 0.195 0.000 0.789 904 A CB 0.315 19.399 19.000 0.140 0.000 1.025 904 A HN 0.553 nan 8.150 nan 0.000 0.490 905 V N 0.910 120.907 119.914 0.139 0.000 3.000 905 V HA 0.258 4.379 4.120 0.001 0.000 0.300 905 V C -1.551 174.602 176.094 0.098 0.000 1.251 905 V CA -0.421 61.914 62.300 0.057 0.000 0.972 905 V CB 1.956 33.702 31.823 -0.129 0.000 1.065 905 V HN 0.842 nan 8.190 nan 0.000 0.431 906 Y N 1.964 122.246 120.300 -0.029 0.000 2.356 906 Y HA 0.641 5.191 4.550 0.001 0.000 0.334 906 Y C 0.105 176.015 175.900 0.016 0.000 0.958 906 Y CA -0.060 58.042 58.100 0.003 0.000 1.196 906 Y CB 1.584 40.055 38.460 0.019 0.000 1.137 906 Y HN 0.678 nan 8.280 nan 0.000 0.485 907 T N 5.773 120.221 114.554 -0.177 0.000 2.864 907 T HA 0.539 4.889 4.350 0.001 0.000 0.299 907 T C -0.957 173.699 174.700 -0.073 0.000 1.011 907 T CA -0.556 61.507 62.100 -0.062 0.000 0.975 907 T CB 0.844 69.652 68.868 -0.100 0.000 0.962 907 T HN 0.303 nan 8.240 nan 0.000 0.448 908 V N 3.059 122.982 119.914 0.016 0.000 2.960 908 V HA 0.845 4.965 4.120 0.001 0.000 0.315 908 V C -0.693 175.439 176.094 0.063 0.000 1.087 908 V CA -0.825 61.519 62.300 0.074 0.000 0.982 908 V CB 2.371 34.299 31.823 0.175 0.000 1.039 908 V HN 0.630 nan 8.190 nan 0.000 0.437 909 V N 2.208 122.147 119.914 0.041 0.000 2.711 909 V HA 0.739 4.860 4.120 0.001 0.000 0.304 909 V C -0.615 175.496 176.094 0.027 0.000 1.097 909 V CA 0.134 62.443 62.300 0.015 0.000 0.906 909 V CB 2.298 34.100 31.823 -0.034 0.000 1.015 909 V HN 0.996 nan 8.190 nan 0.000 0.427 910 S N 3.801 119.537 115.700 0.061 0.000 2.689 910 S HA 0.676 5.146 4.470 0.001 0.000 0.306 910 S C -0.430 174.277 174.600 0.178 0.000 1.104 910 S CA -0.087 58.154 58.200 0.068 0.000 0.973 910 S CB 1.995 65.205 63.200 0.017 0.000 1.121 910 S HN 1.193 nan 8.310 nan 0.000 0.523 911 S N 1.855 117.623 115.700 0.115 0.000 2.466 911 S HA 0.264 4.735 4.470 0.001 0.000 0.313 911 S C -0.170 174.438 174.600 0.014 0.000 1.078 911 S CA -0.505 57.696 58.200 0.002 0.000 1.115 911 S CB -0.607 62.548 63.200 -0.075 0.000 1.006 911 S HN 0.796 nan 8.310 nan 0.000 0.487 912 H N 3.196 122.216 119.070 -0.083 0.000 3.038 912 H HA -0.021 4.536 4.556 0.001 0.000 0.338 912 H C 1.369 176.696 175.328 -0.002 0.000 1.041 912 H CA 0.821 56.849 56.048 -0.034 0.000 1.394 912 H CB 0.713 30.459 29.762 -0.027 0.000 1.357 912 H HN 0.834 nan 8.280 nan 0.000 0.600 913 E N 3.188 123.298 120.200 -0.149 0.000 2.512 913 E HA -0.111 4.240 4.350 0.001 0.000 0.195 913 E C 0.057 176.554 176.600 -0.172 0.000 1.083 913 E CA 0.236 56.580 56.400 -0.094 0.000 0.873 913 E CB 0.064 29.732 29.700 -0.052 0.000 0.897 913 E HN 0.645 nan 8.360 nan 0.000 0.514 914 Q N 1.191 120.781 119.800 -0.350 0.000 2.938 914 Q HA 0.154 4.494 4.340 0.001 0.000 0.343 914 Q C -1.045 174.911 176.000 -0.073 0.000 1.185 914 Q CA -0.340 55.330 55.803 -0.222 0.000 0.939 914 Q CB -0.309 28.278 28.738 -0.252 0.000 1.480 914 Q HN 0.343 nan 8.270 nan 0.000 0.442 915 F N -1.219 118.622 119.950 -0.181 0.000 2.469 915 F HA 0.394 4.922 4.527 0.001 0.000 0.332 915 F C -0.234 175.470 175.800 -0.159 0.000 1.103 915 F CA -0.789 57.093 58.000 -0.197 0.000 0.979 915 F CB 1.467 40.356 39.000 -0.185 0.000 1.137 915 F HN -0.230 nan 8.300 nan 0.000 0.463 916 T N 5.309 119.504 114.554 -0.598 0.000 2.992 916 T HA 0.153 4.503 4.350 0.001 0.000 0.299 916 T C -0.206 174.123 174.700 -0.618 0.000 1.027 916 T CA -0.323 61.479 62.100 -0.496 0.000 1.001 916 T CB -0.413 68.352 68.868 -0.172 0.000 1.005 916 T HN 0.575 nan 8.240 nan 0.000 0.599 917 K N 3.065 122.967 120.400 -0.830 0.000 2.354 917 K HA 0.255 4.576 4.320 0.001 0.000 0.257 917 K C 0.028 176.492 176.600 -0.227 0.000 1.062 917 K CA -0.703 55.291 56.287 -0.489 0.000 0.971 917 K CB 0.253 32.457 32.500 -0.494 0.000 1.305 917 K HN 0.725 nan 8.250 nan 0.000 0.449 918 Y N 3.553 123.738 120.300 -0.191 0.000 2.500 918 Y HA 0.210 4.761 4.550 0.001 0.000 0.246 918 Y C 0.025 175.828 175.900 -0.162 0.000 1.146 918 Y CA -1.106 56.908 58.100 -0.144 0.000 1.230 918 Y CB -0.437 37.979 38.460 -0.073 0.000 1.214 918 Y HN 0.302 nan 8.280 nan 0.000 0.526 919 L N 2.717 123.555 121.223 -0.643 0.000 2.714 919 L HA 0.093 4.434 4.340 0.001 0.000 0.301 919 L C -0.320 176.365 176.870 -0.309 0.000 1.248 919 L CA 0.072 54.596 54.840 -0.528 0.000 0.885 919 L CB -0.116 41.684 42.059 -0.432 0.000 1.143 919 L HN 0.618 nan 8.230 nan 0.000 0.500 920 N N 1.482 120.021 118.700 -0.269 0.000 3.043 920 N HA 0.195 4.935 4.740 0.001 0.000 0.243 920 N C -0.111 175.267 175.510 -0.220 0.000 1.347 920 N CA -0.743 52.130 53.050 -0.295 0.000 0.896 920 N CB 0.100 38.539 38.487 -0.080 0.000 1.501 920 N HN 0.421 nan 8.380 nan 0.000 0.504 921 F N 0.700 120.661 119.950 0.019 0.000 2.451 921 F HA -0.008 4.520 4.527 0.001 0.000 0.299 921 F C 1.617 177.430 175.800 0.021 0.000 1.101 921 F CA 0.727 58.754 58.000 0.045 0.000 1.436 921 F CB -0.234 38.799 39.000 0.056 0.000 1.074 921 F HN 0.523 nan 8.300 nan 0.000 0.553 922 S N 0.855 116.639 115.700 0.140 0.000 2.670 922 S HA 0.155 4.625 4.470 0.001 0.000 0.328 922 S C -0.051 174.533 174.600 -0.026 0.000 1.179 922 S CA -0.373 57.856 58.200 0.048 0.000 1.194 922 S CB 0.145 63.354 63.200 0.015 0.000 1.359 922 S HN 0.318 nan 8.310 nan 0.000 0.555 923 E N 2.500 122.686 120.200 -0.023 0.000 3.132 923 E HA 0.292 4.642 4.350 0.001 0.000 0.241 923 E C 0.628 177.180 176.600 -0.080 0.000 1.196 923 E CA -0.201 56.154 56.400 -0.075 0.000 0.869 923 E CB 0.324 30.008 29.700 -0.026 0.000 1.387 923 E HN 0.615 nan 8.360 nan 0.000 0.393 924 S N 1.622 117.266 115.700 -0.094 0.000 2.371 924 S HA 0.170 4.641 4.470 0.001 0.000 0.219 924 S C 0.610 175.163 174.600 -0.079 0.000 1.040 924 S CA 0.155 58.309 58.200 -0.077 0.000 0.958 924 S CB 0.078 63.238 63.200 -0.066 0.000 0.860 924 S HN 0.262 nan 8.310 nan 0.000 0.487 925 E N 0.866 121.006 120.200 -0.100 0.000 2.396 925 E HA 0.525 4.876 4.350 0.001 0.000 0.251 925 E C -1.184 175.359 176.600 -0.096 0.000 0.949 925 E CA -0.688 55.664 56.400 -0.080 0.000 0.834 925 E CB 0.804 30.465 29.700 -0.066 0.000 1.309 925 E HN 0.304 nan 8.360 nan 0.000 0.405 926 E N 0.994 121.170 120.200 -0.040 0.000 2.079 926 E HA 0.207 4.558 4.350 0.001 0.000 0.252 926 E C -0.632 175.993 176.600 0.042 0.000 0.992 926 E CA -0.203 56.208 56.400 0.018 0.000 0.829 926 E CB 0.650 30.382 29.700 0.054 0.000 1.158 926 E HN 0.190 nan 8.360 nan 0.000 0.435 927 K N 1.111 121.498 120.400 -0.022 0.000 2.868 927 K HA 0.172 4.492 4.320 0.001 0.000 0.304 927 K C 1.078 177.837 176.600 0.265 0.000 1.007 927 K CA -0.240 56.065 56.287 0.030 0.000 1.123 927 K CB 0.594 33.018 32.500 -0.127 0.000 1.408 927 K HN 0.331 nan 8.250 nan 0.000 0.522 928 E N -0.866 119.498 120.200 0.274 0.000 3.100 928 E HA 0.044 4.395 4.350 0.001 0.000 0.191 928 E C 0.172 176.984 176.600 0.354 0.000 1.097 928 E CA -0.347 56.241 56.400 0.314 0.000 1.339 928 E CB 0.285 30.094 29.700 0.182 0.000 1.330 928 E HN 0.173 nan 8.360 nan 0.000 0.511 929 S N 0.589 116.445 115.700 0.259 0.000 2.921 929 S HA 0.125 4.596 4.470 0.001 0.000 0.244 929 S C -0.695 174.022 174.600 0.195 0.000 1.291 929 S CA -0.611 57.702 58.200 0.188 0.000 1.010 929 S CB -0.170 63.091 63.200 0.102 0.000 1.255 929 S HN 0.424 nan 8.310 nan 0.000 0.492 930 H N 4.242 123.388 119.070 0.127 0.000 2.502 930 H HA 0.198 4.754 4.556 0.001 0.000 0.268 930 H C 0.368 175.626 175.328 -0.116 0.000 1.177 930 H CA -0.277 55.746 56.048 -0.042 0.000 0.961 930 H CB 0.311 29.995 29.762 -0.130 0.000 1.737 930 H HN 0.506 nan 8.280 nan 0.000 0.569 931 V N 1.828 121.727 119.914 -0.026 0.000 2.964 931 V HA -0.089 4.031 4.120 0.001 0.000 0.286 931 V C 0.092 176.188 176.094 0.003 0.000 1.363 931 V CA 0.905 63.237 62.300 0.054 0.000 1.411 931 V CB -0.469 31.376 31.823 0.036 0.000 0.835 931 V HN 0.613 nan 8.190 nan 0.000 0.487 932 A N 7.781 130.698 122.820 0.161 0.000 2.269 932 A HA 0.839 5.159 4.320 0.001 0.000 0.319 932 A C -0.133 177.549 177.584 0.164 0.000 1.110 932 A CA -0.730 51.356 52.037 0.081 0.000 0.847 932 A CB 1.166 20.165 19.000 -0.001 0.000 1.161 932 A HN 1.093 nan 8.150 nan 0.000 0.497 933 M N 2.251 121.844 119.600 -0.012 0.000 2.060 933 M HA 0.255 4.735 4.480 0.001 0.000 0.275 933 M C -1.420 174.838 176.300 -0.070 0.000 0.919 933 M CA -0.113 55.200 55.300 0.022 0.000 0.970 933 M CB 0.940 33.532 32.600 -0.013 0.000 1.670 933 M HN 0.803 nan 8.290 nan 0.000 0.440 934 H N 3.703 122.842 119.070 0.115 0.000 2.741 934 H HA 0.282 4.838 4.556 0.001 0.000 0.282 934 H C -0.513 174.751 175.328 -0.107 0.000 1.122 934 H CA -0.288 55.759 56.048 -0.001 0.000 1.293 934 H CB 0.796 30.583 29.762 0.041 0.000 1.415 934 H HN 0.542 nan 8.280 nan 0.000 0.472 935 R N 3.637 124.110 120.500 -0.045 0.000 2.254 935 R HA 0.223 4.564 4.340 0.001 0.000 0.318 935 R C -1.277 174.943 176.300 -0.132 0.000 1.031 935 R CA -0.414 55.691 56.100 0.008 0.000 0.905 935 R CB 0.529 30.907 30.300 0.129 0.000 1.050 935 R HN 0.455 nan 8.270 nan 0.000 0.456 936 Y N 2.412 122.777 120.300 0.109 0.000 2.376 936 Y HA 0.260 4.811 4.550 0.001 0.000 0.340 936 Y C -0.083 175.744 175.900 -0.121 0.000 0.965 936 Y CA -0.683 57.448 58.100 0.051 0.000 1.078 936 Y CB 2.319 40.875 38.460 0.161 0.000 1.193 936 Y HN 0.418 nan 8.280 nan 0.000 0.452 937 Q N 2.440 122.266 119.800 0.043 0.000 2.312 937 Q HA 0.699 5.040 4.340 0.001 0.000 0.263 937 Q C -1.473 174.490 176.000 -0.061 0.000 0.995 937 Q CA -1.007 54.742 55.803 -0.090 0.000 0.853 937 Q CB 3.302 31.956 28.738 -0.140 0.000 1.300 937 Q HN 0.503 nan 8.270 nan 0.000 0.448 938 V N 2.721 122.581 119.914 -0.090 0.000 3.007 938 V HA 0.693 4.813 4.120 0.001 0.000 0.311 938 V C -1.952 174.230 176.094 0.148 0.000 1.120 938 V CA -0.439 61.844 62.300 -0.028 0.000 0.980 938 V CB 2.385 34.106 31.823 -0.170 0.000 1.033 938 V HN 1.049 nan 8.190 nan 0.000 0.429 939 N N 2.418 121.269 118.700 0.251 0.000 2.636 939 N HA 0.379 5.119 4.740 0.001 0.000 0.261 939 N C -2.003 173.713 175.510 0.344 0.000 1.195 939 N CA -0.772 52.497 53.050 0.365 0.000 0.902 939 N CB 1.247 39.822 38.487 0.145 0.000 1.627 939 N HN 0.631 nan 8.380 nan 0.000 0.491 940 N N 1.084 119.935 118.700 0.252 0.000 2.407 940 N HA 0.313 5.054 4.740 0.001 0.000 0.277 940 N C -0.879 174.701 175.510 0.117 0.000 0.995 940 N CA -0.650 52.526 53.050 0.209 0.000 0.903 940 N CB 1.384 39.994 38.487 0.205 0.000 1.218 940 N HN 0.522 nan 8.380 nan 0.000 0.487 941 L N 1.598 122.968 121.223 0.246 0.000 2.653 941 L HA 0.325 4.666 4.340 0.001 0.000 0.232 941 L C 1.666 178.595 176.870 0.100 0.000 1.169 941 L CA -0.102 54.820 54.840 0.137 0.000 0.951 941 L CB -0.520 41.576 42.059 0.063 0.000 1.181 941 L HN 0.787 nan 8.230 nan 0.000 0.460 942 G N -0.359 108.514 108.800 0.122 0.000 2.418 942 G HA2 0.096 4.057 3.960 0.001 0.000 0.276 942 G HA3 0.096 4.057 3.960 0.001 0.000 0.276 942 G C 0.391 175.317 174.900 0.044 0.000 1.442 942 G CA -0.161 44.989 45.100 0.083 0.000 1.066 942 G HN 0.433 nan 8.290 nan 0.000 0.553 943 Q N -1.126 118.697 119.800 0.039 0.000 2.023 943 Q HA 0.246 4.586 4.340 0.001 0.000 0.221 943 Q C -0.195 175.821 176.000 0.026 0.000 0.806 943 Q CA -0.052 55.775 55.803 0.041 0.000 1.052 943 Q CB 1.446 30.221 28.738 0.061 0.000 1.229 943 Q HN 0.346 nan 8.270 nan 0.000 0.440 944 R N 0.762 121.258 120.500 -0.006 0.000 2.584 944 R HA 0.238 4.578 4.340 0.001 0.000 0.276 944 R C -1.626 174.621 176.300 -0.088 0.000 1.046 944 R CA -0.790 55.293 56.100 -0.028 0.000 0.906 944 R CB 1.611 31.913 30.300 0.003 0.000 1.215 944 R HN 0.025 nan 8.270 nan 0.000 0.449 945 D N 3.717 124.074 120.400 -0.073 0.000 2.417 945 D HA 0.242 4.883 4.640 0.001 0.000 0.250 945 D C -0.438 175.791 176.300 -0.119 0.000 1.166 945 D CA 0.362 54.309 54.000 -0.088 0.000 0.881 945 D CB 0.644 41.414 40.800 -0.049 0.000 1.164 945 D HN 0.275 nan 8.370 nan 0.000 0.467 946 L N 0.194 121.322 121.223 -0.160 0.000 2.543 946 L HA 0.579 4.919 4.340 0.001 0.000 0.265 946 L C -3.033 173.771 176.870 -0.110 0.000 0.945 946 L CA -2.082 52.582 54.840 -0.294 0.000 0.869 946 L CB 2.010 43.558 42.059 -0.850 0.000 1.294 946 L HN -0.034 nan 8.230 nan 0.000 0.405 947 P HA 0.326 nan 4.420 nan 0.000 0.267 947 P C -0.712 176.614 177.300 0.044 0.000 1.200 947 P CA -0.159 62.971 63.100 0.050 0.000 0.772 947 P CB 1.029 32.780 31.700 0.085 0.000 0.855 948 V N -1.437 118.501 119.914 0.041 0.000 3.206 948 V HA 0.823 4.943 4.120 0.001 0.000 0.305 948 V C -0.967 175.123 176.094 -0.005 0.000 1.257 948 V CA -0.836 61.484 62.300 0.033 0.000 1.057 948 V CB 2.156 33.932 31.823 -0.078 0.000 1.075 948 V HN 0.438 nan 8.190 nan 0.000 0.443 949 S N 1.305 117.000 115.700 -0.009 0.000 2.779 949 S HA 0.663 5.133 4.470 0.001 0.000 0.293 949 S C -0.861 173.674 174.600 -0.109 0.000 1.150 949 S CA -0.541 57.625 58.200 -0.057 0.000 1.057 949 S CB 0.450 63.625 63.200 -0.040 0.000 1.021 949 S HN 0.738 nan 8.310 nan 0.000 0.485 950 I N 5.031 125.508 120.570 -0.155 0.000 2.322 950 I HA 0.256 4.427 4.170 0.001 0.000 0.292 950 I C 0.417 176.291 176.117 -0.404 0.000 1.060 950 I CA -0.345 60.796 61.300 -0.265 0.000 1.309 950 I CB 0.708 38.599 38.000 -0.182 0.000 1.415 950 I HN 0.597 nan 8.210 nan 0.000 0.492 951 N N 5.076 123.507 118.700 -0.448 0.000 2.495 951 N HA 0.620 5.360 4.740 0.001 0.000 0.280 951 N C -1.064 173.984 175.510 -0.770 0.000 1.168 951 N CA -0.292 52.462 53.050 -0.492 0.000 0.978 951 N CB 1.213 39.494 38.487 -0.343 0.000 1.191 951 N HN 0.260 nan 8.380 nan 0.000 0.497 952 F N -0.223 119.424 119.950 -0.504 0.000 2.675 952 F HA 0.561 5.089 4.527 0.001 0.000 0.324 952 F C -1.259 174.074 175.800 -0.779 0.000 1.106 952 F CA -0.599 57.158 58.000 -0.404 0.000 0.970 952 F CB 1.359 40.287 39.000 -0.120 0.000 1.385 952 F HN 0.418 nan 8.300 nan 0.000 0.489 953 W N 1.138 122.649 121.300 0.352 0.000 2.822 953 W HA 0.650 5.311 4.660 0.001 0.000 0.317 953 W C -1.956 174.684 176.519 0.202 0.000 1.033 953 W CA -0.634 56.843 57.345 0.219 0.000 1.252 953 W CB 1.392 30.920 29.460 0.113 0.000 1.186 953 W HN 0.159 nan 8.180 nan 0.000 0.383 954 V N 4.576 124.726 119.914 0.395 0.000 2.407 954 V HA 0.440 4.561 4.120 0.001 0.000 0.291 954 V C -2.042 174.243 176.094 0.319 0.000 1.018 954 V CA -2.306 60.204 62.300 0.349 0.000 0.842 954 V CB 1.920 33.910 31.823 0.278 0.000 0.996 954 V HN 0.135 nan 8.190 nan 0.000 0.426 955 P HA 0.248 nan 4.420 nan 0.000 0.267 955 P C -0.036 177.401 177.300 0.228 0.000 1.200 955 P CA 0.459 63.660 63.100 0.168 0.000 0.772 955 P CB 1.254 32.967 31.700 0.021 0.000 0.855 956 V N 0.441 120.399 119.914 0.074 0.000 5.804 956 V HA 0.109 4.230 4.120 0.001 0.000 0.088 956 V C 0.010 176.082 176.094 -0.037 0.000 0.886 956 V CA -0.258 62.076 62.300 0.056 0.000 1.231 956 V CB -0.673 31.159 31.823 0.015 0.000 2.101 956 V HN 0.324 nan 8.190 nan 0.000 0.525 957 E N 2.260 122.440 120.200 -0.033 0.000 2.568 957 E HA 0.156 4.507 4.350 0.001 0.000 0.262 957 E C -0.752 175.787 176.600 -0.102 0.000 0.961 957 E CA 0.476 56.847 56.400 -0.048 0.000 0.945 957 E CB 0.500 30.180 29.700 -0.033 0.000 0.924 957 E HN 0.396 nan 8.360 nan 0.000 0.467 958 L N 4.295 125.453 121.223 -0.108 0.000 2.492 958 L HA 0.223 4.564 4.340 0.001 0.000 0.259 958 L C -0.524 176.270 176.870 -0.126 0.000 1.229 958 L CA -0.181 54.554 54.840 -0.174 0.000 0.903 958 L CB 0.068 41.974 42.059 -0.256 0.000 1.114 958 L HN 0.535 nan 8.230 nan 0.000 0.494 959 N N 3.206 121.844 118.700 -0.103 0.000 2.746 959 N HA -0.264 4.477 4.740 0.001 0.000 0.250 959 N C 0.643 176.154 175.510 0.003 0.000 1.055 959 N CA 1.588 54.614 53.050 -0.040 0.000 0.699 959 N CB -1.001 37.462 38.487 -0.040 0.000 0.919 959 N HN 0.972 nan 8.380 nan 0.000 0.548 960 Q N -2.105 117.695 119.800 0.001 0.000 2.261 960 Q HA -0.341 3.999 4.340 0.001 0.000 0.155 960 Q C -0.722 175.299 176.000 0.035 0.000 0.598 960 Q CA 2.177 57.992 55.803 0.019 0.000 1.376 960 Q CB -0.996 27.760 28.738 0.030 0.000 1.356 960 Q HN 0.623 nan 8.270 nan 0.000 0.947 961 E N 0.924 121.149 120.200 0.042 0.000 1.996 961 E HA 0.555 4.906 4.350 0.001 0.000 0.280 961 E C -0.583 176.067 176.600 0.084 0.000 1.092 961 E CA 0.693 57.146 56.400 0.090 0.000 0.862 961 E CB 0.688 30.468 29.700 0.132 0.000 1.066 961 E HN 0.422 nan 8.360 nan 0.000 0.396 962 A N 3.700 126.577 122.820 0.095 0.000 2.531 962 A HA 0.072 4.392 4.320 0.001 0.000 0.236 962 A C 1.010 178.667 177.584 0.121 0.000 1.062 962 A CA -0.217 51.870 52.037 0.084 0.000 0.760 962 A CB 0.557 19.618 19.000 0.101 0.000 0.995 962 A HN 0.607 nan 8.150 nan 0.000 0.501 963 V N 1.864 121.774 119.914 -0.007 0.000 2.326 963 V HA 0.096 4.216 4.120 0.001 0.000 0.238 963 V C 0.495 176.767 176.094 0.297 0.000 1.038 963 V CA 1.778 63.953 62.300 -0.208 0.000 1.032 963 V CB -0.383 31.124 31.823 -0.525 0.000 0.675 963 V HN 1.037 nan 8.190 nan 0.000 0.467 964 W N -0.326 120.966 121.300 -0.013 0.000 3.259 964 W HA 0.757 5.418 4.660 0.001 0.000 0.331 964 W C -1.411 175.132 176.519 0.039 0.000 1.144 964 W CA -2.206 55.170 57.345 0.052 0.000 1.227 964 W CB 0.221 29.720 29.460 0.065 0.000 1.371 964 W HN 0.077 nan 8.180 nan 0.000 0.491 965 M N 3.132 122.793 119.600 0.100 0.000 2.494 965 M HA 0.308 4.789 4.480 0.001 0.000 0.300 965 M C 0.146 176.387 176.300 -0.098 0.000 1.189 965 M CA -0.470 54.822 55.300 -0.013 0.000 0.982 965 M CB 0.571 33.200 32.600 0.048 0.000 1.534 965 M HN 0.404 nan 8.290 nan 0.000 0.488 966 D N 0.184 120.533 120.400 -0.085 0.000 2.692 966 D HA -0.107 4.534 4.640 0.001 0.000 0.233 966 D C -1.069 175.138 176.300 -0.155 0.000 1.172 966 D CA 0.420 54.369 54.000 -0.085 0.000 0.636 966 D CB -1.526 39.248 40.800 -0.043 0.000 1.028 966 D HN 0.281 nan 8.370 nan 0.000 0.419 967 V N 0.446 120.212 119.914 -0.247 0.000 2.432 967 V HA 0.279 4.399 4.120 0.001 0.000 0.271 967 V C 0.870 176.842 176.094 -0.203 0.000 1.046 967 V CA 0.103 62.172 62.300 -0.385 0.000 0.945 967 V CB 1.585 32.972 31.823 -0.726 0.000 0.992 967 V HN 0.085 nan 8.190 nan 0.000 0.471 968 E N 2.548 122.609 120.200 -0.232 0.000 2.431 968 E HA 0.687 5.037 4.350 0.001 0.000 0.268 968 E C -1.526 174.892 176.600 -0.303 0.000 0.953 968 E CA -0.883 55.409 56.400 -0.180 0.000 0.810 968 E CB 2.803 32.455 29.700 -0.080 0.000 1.369 968 E HN 0.406 nan 8.360 nan 0.000 0.440 969 V N 1.115 120.868 119.914 -0.268 0.000 2.443 969 V HA 0.366 4.486 4.120 0.001 0.000 0.293 969 V C -0.751 175.270 176.094 -0.122 0.000 1.021 969 V CA -0.245 61.892 62.300 -0.272 0.000 0.848 969 V CB 1.499 33.069 31.823 -0.423 0.000 0.998 969 V HN 0.635 nan 8.190 nan 0.000 0.424 970 S N 4.780 120.456 115.700 -0.040 0.000 2.584 970 S HA 0.396 4.867 4.470 0.001 0.000 0.273 970 S C -0.327 174.359 174.600 0.143 0.000 1.311 970 S CA -0.111 58.110 58.200 0.036 0.000 1.034 970 S CB 0.364 63.589 63.200 0.042 0.000 0.939 970 S HN 1.016 nan 8.310 nan 0.000 0.513 971 H N 4.293 123.374 119.070 0.017 0.000 2.336 971 H HA 0.514 5.071 4.556 0.001 0.000 0.230 971 H C -2.778 172.609 175.328 0.098 0.000 1.426 971 H CA -2.105 53.989 56.048 0.077 0.000 1.359 971 H CB 0.058 29.797 29.762 -0.039 0.000 1.555 971 H HN 0.399 nan 8.280 nan 0.000 0.512 972 P HA 0.052 nan 4.420 nan 0.000 0.274 972 P C 0.061 177.275 177.300 -0.142 0.000 1.260 972 P CA -0.020 63.047 63.100 -0.056 0.000 0.793 972 P CB 0.674 32.386 31.700 0.020 0.000 1.048 973 Q N -2.039 117.702 119.800 -0.100 0.000 2.422 973 Q HA -0.207 4.134 4.340 0.001 0.000 0.245 973 Q C -0.617 175.301 176.000 -0.137 0.000 0.922 973 Q CA 1.379 57.131 55.803 -0.085 0.000 1.192 973 Q CB -2.164 26.548 28.738 -0.044 0.000 1.641 973 Q HN 0.616 nan 8.270 nan 0.000 0.552 974 N N -0.576 117.959 118.700 -0.275 0.000 2.745 974 N HA 0.320 5.060 4.740 0.001 0.000 0.256 974 N C -2.738 172.613 175.510 -0.266 0.000 1.268 974 N CA -1.083 51.778 53.050 -0.314 0.000 0.887 974 N CB 1.790 39.951 38.487 -0.543 0.000 1.575 974 N HN -0.222 nan 8.380 nan 0.000 0.496 975 P HA -0.035 nan 4.420 nan 0.000 0.270 975 P C -0.099 177.254 177.300 0.088 0.000 1.216 975 P CA 0.053 63.168 63.100 0.025 0.000 0.788 975 P CB 0.188 31.927 31.700 0.065 0.000 0.883 976 S N 0.794 116.534 115.700 0.067 0.000 2.503 976 S HA 0.250 4.720 4.470 0.001 0.000 0.317 976 S C 0.218 174.870 174.600 0.085 0.000 1.162 976 S CA -0.591 57.656 58.200 0.080 0.000 1.124 976 S CB -0.888 62.334 63.200 0.036 0.000 1.207 976 S HN 0.175 nan 8.310 nan 0.000 0.538 977 L N 3.081 124.377 121.223 0.121 0.000 2.439 977 L HA 0.491 4.831 4.340 0.001 0.000 0.259 977 L C 0.991 177.844 176.870 -0.028 0.000 1.129 977 L CA -0.179 54.678 54.840 0.028 0.000 0.803 977 L CB 0.567 42.596 42.059 -0.049 0.000 1.161 977 L HN 0.611 nan 8.230 nan 0.000 0.462 978 R N 0.290 120.766 120.500 -0.041 0.000 2.312 978 R HA 0.564 4.904 4.340 0.001 0.000 0.311 978 R C -1.235 175.025 176.300 -0.065 0.000 1.004 978 R CA -0.482 55.593 56.100 -0.042 0.000 0.902 978 R CB 0.907 31.189 30.300 -0.029 0.000 1.073 978 R HN 0.488 nan 8.270 nan 0.000 0.457 979 c N 1.022 119.592 118.600 -0.051 0.000 2.634 979 c HA 0.519 5.090 4.570 0.001 0.000 0.313 979 c C 0.410 174.483 174.090 -0.027 0.000 1.198 979 c CA -0.584 55.723 56.329 -0.036 0.000 1.605 979 c CB 2.048 44.553 42.510 -0.007 0.000 2.196 979 c HN 0.817 nan 8.230 nan 0.000 0.486 980 S N 1.119 116.788 115.700 -0.050 0.000 2.690 980 S HA 0.861 5.331 4.470 0.001 0.000 0.291 980 S C -0.426 174.042 174.600 -0.221 0.000 1.138 980 S CA -0.285 57.849 58.200 -0.110 0.000 1.013 980 S CB 0.952 64.084 63.200 -0.113 0.000 1.053 980 S HN 1.078 nan 8.310 nan 0.000 0.539 981 S N 1.877 117.407 115.700 -0.283 0.000 2.575 981 S HA 0.676 5.146 4.470 0.001 0.000 0.278 981 S C -1.554 172.845 174.600 -0.334 0.000 1.139 981 S CA -0.855 57.057 58.200 -0.480 0.000 0.954 981 S CB 1.434 64.360 63.200 -0.455 0.000 1.054 981 S HN 0.726 nan 8.310 nan 0.000 0.483 982 E N 1.353 121.339 120.200 -0.356 0.000 2.311 982 E HA 0.324 4.674 4.350 0.001 0.000 0.281 982 E C -1.345 175.152 176.600 -0.171 0.000 0.905 982 E CA -0.756 55.518 56.400 -0.210 0.000 0.778 982 E CB 2.304 31.912 29.700 -0.155 0.000 1.240 982 E HN 0.577 nan 8.360 nan 0.000 0.410 983 K N 2.697 123.030 120.400 -0.113 0.000 2.144 983 K HA 0.623 4.943 4.320 0.001 0.000 0.270 983 K C -0.047 176.542 176.600 -0.020 0.000 1.005 983 K CA -0.411 55.837 56.287 -0.064 0.000 0.932 983 K CB 0.946 33.410 32.500 -0.059 0.000 1.021 983 K HN 0.463 nan 8.250 nan 0.000 0.462 984 I N -2.114 118.464 120.570 0.013 0.000 2.752 984 I HA 0.578 4.749 4.170 0.001 0.000 0.295 984 I C -1.275 174.853 176.117 0.018 0.000 1.219 984 I CA -1.165 60.152 61.300 0.029 0.000 1.030 984 I CB 2.342 40.387 38.000 0.076 0.000 1.259 984 I HN 0.514 nan 8.210 nan 0.000 0.423 985 A N 5.260 128.084 122.820 0.005 0.000 2.260 985 A HA 0.873 5.194 4.320 0.001 0.000 0.314 985 A C -2.318 175.259 177.584 -0.012 0.000 1.257 985 A CA -1.361 50.672 52.037 -0.007 0.000 0.871 985 A CB -0.120 18.876 19.000 -0.007 0.000 1.166 985 A HN 0.681 nan 8.150 nan 0.000 0.522 986 P HA 0.190 nan 4.420 nan 0.000 0.280 986 P C -1.550 175.733 177.300 -0.028 0.000 1.278 986 P CA -0.842 62.235 63.100 -0.039 0.000 0.787 986 P CB -0.007 31.654 31.700 -0.065 0.000 1.163 987 P HA -0.070 nan 4.420 nan 0.000 0.222 987 P C 0.210 177.510 177.300 -0.000 0.000 1.147 987 P CA 1.531 64.622 63.100 -0.015 0.000 0.790 987 P CB -0.336 31.354 31.700 -0.017 0.000 0.780 988 A N -1.299 121.523 122.820 0.004 0.000 3.115 988 A HA -0.106 4.215 4.320 0.001 0.000 0.255 988 A C 0.661 178.275 177.584 0.049 0.000 1.380 988 A CA 0.426 52.487 52.037 0.040 0.000 0.806 988 A CB -2.575 16.447 19.000 0.037 0.000 1.044 988 A HN 0.308 nan 8.150 nan 0.000 0.589 989 S N -0.041 115.681 115.700 0.036 0.000 2.641 989 S HA 0.376 4.847 4.470 0.001 0.000 0.261 989 S C 0.361 174.992 174.600 0.051 0.000 1.257 989 S CA 0.184 58.409 58.200 0.041 0.000 0.983 989 S CB 0.384 63.617 63.200 0.054 0.000 0.990 989 S HN 0.680 nan 8.310 nan 0.000 0.572 990 D N 1.206 121.614 120.400 0.014 0.000 2.357 990 D HA 0.036 4.677 4.640 0.001 0.000 0.265 990 D C 0.756 177.038 176.300 -0.030 0.000 1.334 990 D CA -0.406 53.546 54.000 -0.079 0.000 0.984 990 D CB -0.349 40.407 40.800 -0.074 0.000 1.077 990 D HN 0.441 nan 8.370 nan 0.000 0.514 991 F N 2.959 122.931 119.950 0.037 0.000 2.502 991 F HA 0.046 4.573 4.527 0.001 0.000 0.298 991 F C 1.704 177.563 175.800 0.098 0.000 1.111 991 F CA -0.209 57.820 58.000 0.049 0.000 1.445 991 F CB -0.700 38.295 39.000 -0.009 0.000 1.081 991 F HN 0.322 nan 8.300 nan 0.000 0.558 992 L N 1.380 122.400 121.223 -0.339 0.000 1.956 992 L HA -0.183 4.158 4.340 0.001 0.000 0.216 992 L C 2.642 179.535 176.870 0.039 0.000 1.073 992 L CA 2.109 56.873 54.840 -0.127 0.000 0.762 992 L CB -0.817 41.094 42.059 -0.246 0.000 0.889 992 L HN 0.245 nan 8.230 nan 0.000 0.433 993 A N -1.795 121.033 122.820 0.013 0.000 2.067 993 A HA -0.211 4.110 4.320 0.001 0.000 0.217 993 A C 2.171 179.804 177.584 0.081 0.000 1.156 993 A CA 1.070 53.130 52.037 0.038 0.000 0.683 993 A CB -0.936 18.070 19.000 0.009 0.000 0.808 993 A HN 0.747 nan 8.150 nan 0.000 0.455 994 H N 1.216 120.312 119.070 0.043 0.000 2.253 994 H HA -0.161 4.396 4.556 0.001 0.000 0.296 994 H C 1.921 177.290 175.328 0.069 0.000 1.074 994 H CA 2.280 58.364 56.048 0.061 0.000 1.263 994 H CB -0.253 29.565 29.762 0.093 0.000 1.363 994 H HN 0.577 nan 8.280 nan 0.000 0.489 995 I N -0.423 120.331 120.570 0.306 0.000 3.291 995 I HA -0.038 4.133 4.170 0.001 0.000 0.279 995 I C 2.417 178.604 176.117 0.117 0.000 1.294 995 I CA 0.835 62.265 61.300 0.216 0.000 1.428 995 I CB -0.309 37.838 38.000 0.246 0.000 1.070 995 I HN 0.197 nan 8.210 nan 0.000 0.478 996 Q N 1.916 121.773 119.800 0.095 0.000 2.119 996 Q HA -0.173 4.168 4.340 0.001 0.000 0.201 996 Q C 2.027 178.040 176.000 0.021 0.000 0.972 996 Q CA 1.402 57.239 55.803 0.057 0.000 0.847 996 Q CB 0.100 28.867 28.738 0.048 0.000 0.903 996 Q HN 0.575 nan 8.270 nan 0.000 0.433 997 K N 0.195 120.589 120.400 -0.010 0.000 1.978 997 K HA -0.127 4.194 4.320 0.001 0.000 0.214 997 K C 0.644 177.231 176.600 -0.023 0.000 1.049 997 K CA 1.115 57.379 56.287 -0.038 0.000 0.939 997 K CB -0.042 32.398 32.500 -0.101 0.000 0.721 997 K HN 0.067 nan 8.250 nan 0.000 0.441 998 N N -0.769 117.921 118.700 -0.018 0.000 2.410 998 N HA 0.174 4.915 4.740 0.001 0.000 0.287 998 N C -2.516 173.020 175.510 0.045 0.000 1.044 998 N CA -2.109 50.944 53.050 0.005 0.000 0.881 998 N CB 1.845 40.325 38.487 -0.012 0.000 1.405 998 N HN -0.261 nan 8.380 nan 0.000 0.490 999 P HA -0.124 nan 4.420 nan 0.000 0.224 999 P C 0.366 177.719 177.300 0.088 0.000 1.142 999 P CA 0.716 63.858 63.100 0.071 0.000 0.778 999 P CB -0.018 31.710 31.700 0.046 0.000 0.764 1000 V N -2.153 117.804 119.914 0.072 0.000 3.061 1000 V HA -0.049 4.071 4.120 0.001 0.000 0.306 1000 V C 0.372 176.519 176.094 0.089 0.000 1.118 1000 V CA 0.066 62.408 62.300 0.071 0.000 1.231 1000 V CB -0.086 31.771 31.823 0.056 0.000 0.956 1000 V HN -0.059 nan 8.190 nan 0.000 0.499 1001 L N 3.771 125.026 121.223 0.055 0.000 2.556 1001 L HA 0.454 4.794 4.340 0.001 0.000 0.243 1001 L C -0.150 176.710 176.870 -0.017 0.000 1.331 1001 L CA -0.542 54.303 54.840 0.009 0.000 0.927 1001 L CB 0.332 42.356 42.059 -0.059 0.000 1.219 1001 L HN 1.066 nan 8.230 nan 0.000 0.490 1002 D N -0.278 120.128 120.400 0.011 0.000 2.393 1002 D HA -0.022 4.618 4.640 0.001 0.000 0.246 1002 D C 1.101 177.380 176.300 -0.035 0.000 1.275 1002 D CA -0.456 53.542 54.000 -0.004 0.000 0.979 1002 D CB 0.617 41.420 40.800 0.006 0.000 1.101 1002 D HN 0.269 nan 8.370 nan 0.000 0.505 1003 c N -0.448 118.132 118.600 -0.035 0.000 2.491 1003 c HA -0.025 4.545 4.570 0.001 0.000 0.277 1003 c C 2.449 176.494 174.090 -0.075 0.000 1.455 1003 c CA 0.811 57.121 56.329 -0.033 0.000 1.758 1003 c CB -1.803 40.709 42.510 0.003 0.000 1.745 1003 c HN 0.735 nan 8.230 nan 0.000 0.558 1004 S N 0.129 115.771 115.700 -0.096 0.000 2.515 1004 S HA 0.042 4.513 4.470 0.001 0.000 0.231 1004 S C 1.411 175.910 174.600 -0.170 0.000 0.987 1004 S CA 0.970 59.098 58.200 -0.120 0.000 0.936 1004 S CB -0.291 62.849 63.200 -0.100 0.000 0.766 1004 S HN 0.508 nan 8.310 nan 0.000 0.528 1005 I N 1.052 121.517 120.570 -0.174 0.000 3.136 1005 I HA 0.407 4.577 4.170 0.001 0.000 0.262 1005 I C 1.292 177.300 176.117 -0.181 0.000 1.132 1005 I CA 0.370 61.553 61.300 -0.195 0.000 1.450 1005 I CB -1.139 36.746 38.000 -0.190 0.000 1.315 1005 I HN 0.350 nan 8.210 nan 0.000 0.460 1006 A N 0.852 123.566 122.820 -0.177 0.000 2.301 1006 A HA 0.619 4.939 4.320 0.001 0.000 0.312 1006 A C 0.599 178.121 177.584 -0.104 0.000 1.182 1006 A CA -0.151 51.775 52.037 -0.185 0.000 0.826 1006 A CB 0.282 19.131 19.000 -0.253 0.000 1.134 1006 A HN 0.366 nan 8.150 nan 0.000 0.501 1007 G N 0.988 109.737 108.800 -0.085 0.000 2.138 1007 G HA2 0.244 4.204 3.960 0.001 0.000 0.263 1007 G HA3 0.244 4.204 3.960 0.001 0.000 0.263 1007 G C 0.381 175.279 174.900 -0.003 0.000 1.103 1007 G CA 0.319 45.396 45.100 -0.037 0.000 1.014 1007 G HN 0.900 nan 8.290 nan 0.000 0.418 1008 c N 2.645 121.271 118.600 0.043 0.000 2.517 1008 c HA 0.773 5.343 4.570 0.001 0.000 0.357 1008 c C 0.372 174.528 174.090 0.110 0.000 1.485 1008 c CA -0.741 55.657 56.329 0.116 0.000 2.148 1008 c CB 0.630 43.261 42.510 0.203 0.000 2.019 1008 c HN 0.679 nan 8.230 nan 0.000 0.576 1009 L N 2.857 124.170 121.223 0.151 0.000 2.504 1009 L HA 0.444 4.784 4.340 0.001 0.000 0.265 1009 L C -0.342 176.496 176.870 -0.054 0.000 0.975 1009 L CA -0.284 54.556 54.840 0.001 0.000 0.864 1009 L CB 0.557 42.603 42.059 -0.022 0.000 1.212 1009 L HN 0.743 nan 8.230 nan 0.000 0.416 1010 R N 3.993 124.347 120.500 -0.244 0.000 2.265 1010 R HA 0.384 4.724 4.340 0.001 0.000 0.314 1010 R C -1.697 174.288 176.300 -0.524 0.000 1.053 1010 R CA -0.249 55.551 56.100 -0.500 0.000 0.931 1010 R CB 0.637 30.541 30.300 -0.660 0.000 1.024 1010 R HN 0.374 nan 8.270 nan 0.000 0.457 1011 F N 3.902 123.672 119.950 -0.300 0.000 2.388 1011 F HA 0.359 4.886 4.527 0.001 0.000 0.358 1011 F C 0.728 176.416 175.800 -0.187 0.000 1.122 1011 F CA -0.674 57.236 58.000 -0.150 0.000 1.056 1011 F CB 1.406 40.411 39.000 0.008 0.000 1.155 1011 F HN 0.352 nan 8.300 nan 0.000 0.461 1012 R N 3.588 124.045 120.500 -0.072 0.000 2.522 1012 R HA 0.442 4.783 4.340 0.001 0.000 0.290 1012 R C -1.401 174.855 176.300 -0.073 0.000 1.216 1012 R CA -0.243 55.791 56.100 -0.111 0.000 1.250 1012 R CB -0.011 30.210 30.300 -0.132 0.000 1.143 1012 R HN 0.719 nan 8.270 nan 0.000 0.553 1013 c N 4.348 122.901 118.600 -0.078 0.000 2.227 1013 c HA 0.250 4.821 4.570 0.001 0.000 0.333 1013 c C 0.151 174.164 174.090 -0.128 0.000 1.145 1013 c CA -0.998 55.256 56.329 -0.126 0.000 1.643 1013 c CB -0.594 41.781 42.510 -0.225 0.000 2.185 1013 c HN 0.696 nan 8.230 nan 0.000 0.497 1014 D N 1.277 121.620 120.400 -0.096 0.000 2.361 1014 D HA 0.380 5.021 4.640 0.001 0.000 0.239 1014 D C -0.208 176.056 176.300 -0.060 0.000 1.200 1014 D CA 0.276 54.238 54.000 -0.065 0.000 0.915 1014 D CB 1.102 41.878 40.800 -0.040 0.000 1.170 1014 D HN 0.263 nan 8.370 nan 0.000 0.444 1015 V N 2.291 122.191 119.914 -0.023 0.000 2.668 1015 V HA 0.139 4.259 4.120 0.001 0.000 0.304 1015 V C -1.492 174.628 176.094 0.043 0.000 1.071 1015 V CA -1.126 61.180 62.300 0.010 0.000 0.894 1015 V CB 2.207 34.037 31.823 0.011 0.000 1.008 1015 V HN 0.425 nan 8.190 nan 0.000 0.425 1016 P HA -0.055 nan 4.420 nan 0.000 0.210 1016 P C 0.468 177.809 177.300 0.068 0.000 1.189 1016 P CA 1.048 64.181 63.100 0.055 0.000 0.920 1016 P CB 0.415 32.148 31.700 0.054 0.000 0.782 1017 S N -1.578 114.175 115.700 0.088 0.000 2.673 1017 S HA 0.335 4.806 4.470 0.001 0.000 0.256 1017 S C -1.096 173.586 174.600 0.137 0.000 1.141 1017 S CA -0.692 57.559 58.200 0.085 0.000 1.109 1017 S CB -0.516 62.711 63.200 0.045 0.000 1.101 1017 S HN -0.042 nan 8.310 nan 0.000 0.471 1018 F N 5.613 125.545 119.950 -0.029 0.000 2.662 1018 F HA 0.396 4.923 4.527 0.001 0.000 0.365 1018 F C 0.923 176.702 175.800 -0.034 0.000 1.222 1018 F CA -0.325 57.659 58.000 -0.025 0.000 1.315 1018 F CB -0.678 38.292 39.000 -0.051 0.000 1.711 1018 F HN 0.585 nan 8.300 nan 0.000 0.651 1019 S N 1.982 117.576 115.700 -0.176 0.000 2.593 1019 S HA 0.036 4.506 4.470 0.001 0.000 0.303 1019 S C 0.360 174.731 174.600 -0.383 0.000 1.267 1019 S CA -0.518 57.557 58.200 -0.208 0.000 1.047 1019 S CB 0.238 63.368 63.200 -0.116 0.000 0.777 1019 S HN 0.270 nan 8.310 nan 0.000 0.498 1020 V N 6.253 126.029 119.914 -0.230 0.000 2.872 1020 V HA 0.099 4.220 4.120 0.001 0.000 0.307 1020 V C 1.220 177.220 176.094 -0.156 0.000 1.072 1020 V CA 0.707 62.883 62.300 -0.207 0.000 1.148 1020 V CB 0.454 32.235 31.823 -0.070 0.000 0.954 1020 V HN 1.144 nan 8.190 nan 0.000 0.490 1021 Q N -0.244 119.461 119.800 -0.159 0.000 2.559 1021 Q HA -0.246 4.094 4.340 0.001 0.000 0.151 1021 Q C 0.655 176.572 176.000 -0.138 0.000 0.725 1021 Q CA 1.766 57.514 55.803 -0.090 0.000 1.230 1021 Q CB -0.970 27.770 28.738 0.003 0.000 1.099 1021 Q HN 0.905 nan 8.270 nan 0.000 1.047 1022 E N 2.016 122.062 120.200 -0.256 0.000 2.406 1022 E HA -0.032 4.319 4.350 0.001 0.000 0.258 1022 E C 0.117 176.637 176.600 -0.133 0.000 1.043 1022 E CA 0.243 56.514 56.400 -0.215 0.000 0.929 1022 E CB 0.419 29.938 29.700 -0.301 0.000 0.969 1022 E HN 0.227 nan 8.360 nan 0.000 0.462 1023 E N 5.566 125.754 120.200 -0.021 0.000 2.311 1023 E HA 0.043 4.393 4.350 0.001 0.000 0.198 1023 E C 0.054 176.721 176.600 0.111 0.000 1.115 1023 E CA -0.322 56.102 56.400 0.041 0.000 1.140 1023 E CB 0.017 29.680 29.700 -0.063 0.000 1.204 1023 E HN 0.627 nan 8.360 nan 0.000 0.446 1024 L N 2.962 124.340 121.223 0.257 0.000 2.806 1024 L HA -0.129 4.212 4.340 0.001 0.000 0.282 1024 L C -0.462 176.489 176.870 0.134 0.000 1.166 1024 L CA 0.426 55.446 54.840 0.300 0.000 0.969 1024 L CB 0.055 42.415 42.059 0.502 0.000 1.304 1024 L HN 0.229 nan 8.230 nan 0.000 0.474 1025 D N 4.527 124.974 120.400 0.080 0.000 2.490 1025 D HA 0.700 5.340 4.640 0.001 0.000 0.232 1025 D C -0.681 175.656 176.300 0.061 0.000 1.053 1025 D CA -0.470 53.444 54.000 -0.143 0.000 0.914 1025 D CB 1.676 42.407 40.800 -0.116 0.000 1.431 1025 D HN 0.288 nan 8.370 nan 0.000 0.483 1026 F N -2.483 117.594 119.950 0.213 0.000 2.773 1026 F HA 0.691 5.218 4.527 0.001 0.000 0.314 1026 F C -0.813 175.086 175.800 0.165 0.000 1.160 1026 F CA -1.021 57.109 58.000 0.217 0.000 0.920 1026 F CB 1.530 40.703 39.000 0.289 0.000 1.323 1026 F HN 0.457 nan 8.300 nan 0.000 0.457 1027 T N 0.968 115.748 114.554 0.376 0.000 2.901 1027 T HA 0.837 5.188 4.350 0.001 0.000 0.293 1027 T C -1.886 172.864 174.700 0.084 0.000 1.084 1027 T CA -0.685 61.539 62.100 0.207 0.000 1.008 1027 T CB 1.556 70.504 68.868 0.134 0.000 1.170 1027 T HN 1.149 nan 8.240 nan 0.000 0.509 1028 L N 1.257 122.484 121.223 0.006 0.000 2.408 1028 L HA 0.931 5.272 4.340 0.001 0.000 0.268 1028 L C -0.836 176.035 176.870 0.001 0.000 0.986 1028 L CA -0.873 53.893 54.840 -0.124 0.000 0.820 1028 L CB 1.716 43.551 42.059 -0.373 0.000 1.303 1028 L HN 0.820 nan 8.230 nan 0.000 0.411 1029 K N 0.768 121.130 120.400 -0.063 0.000 2.512 1029 K HA 1.013 5.334 4.320 0.001 0.000 0.263 1029 K C -0.824 175.700 176.600 -0.127 0.000 0.966 1029 K CA -0.813 55.492 56.287 0.030 0.000 0.851 1029 K CB 2.413 34.936 32.500 0.039 0.000 1.395 1029 K HN 1.048 nan 8.250 nan 0.000 0.440 1030 G N 0.998 109.791 108.800 -0.012 0.000 2.716 1030 G HA2 0.200 4.160 3.960 0.001 0.000 0.299 1030 G HA3 0.200 4.160 3.960 0.001 0.000 0.299 1030 G C -1.693 173.328 174.900 0.202 0.000 1.450 1030 G CA -1.034 44.003 45.100 -0.106 0.000 0.968 1030 G HN 0.485 nan 8.290 nan 0.000 0.566 1031 N N 0.337 119.113 118.700 0.126 0.000 2.365 1031 N HA 0.030 4.771 4.740 0.001 0.000 0.265 1031 N C -0.077 175.613 175.510 0.300 0.000 1.288 1031 N CA 0.142 53.300 53.050 0.179 0.000 0.869 1031 N CB 1.189 39.748 38.487 0.120 0.000 1.071 1031 N HN 0.516 nan 8.380 nan 0.000 0.480 1032 L N 1.852 123.252 121.223 0.295 0.000 2.255 1032 L HA 0.232 4.573 4.340 0.001 0.000 0.289 1032 L C 0.437 177.352 176.870 0.076 0.000 1.046 1032 L CA -0.330 54.674 54.840 0.274 0.000 0.816 1032 L CB 0.666 42.781 42.059 0.094 0.000 1.197 1032 L HN 0.410 nan 8.230 nan 0.000 0.427 1033 S N 3.224 119.055 115.700 0.219 0.000 2.576 1033 S HA 0.217 4.688 4.470 0.001 0.000 0.276 1033 S C 0.637 175.277 174.600 0.066 0.000 1.339 1033 S CA -0.090 58.249 58.200 0.232 0.000 1.039 1033 S CB 0.431 63.817 63.200 0.310 0.000 0.902 1033 S HN 0.557 nan 8.310 nan 0.000 0.516 1034 F N 2.320 122.327 119.950 0.095 0.000 2.695 1034 F HA 0.283 4.811 4.527 0.001 0.000 0.303 1034 F C 2.223 177.926 175.800 -0.162 0.000 1.091 1034 F CA 0.054 58.011 58.000 -0.073 0.000 1.300 1034 F CB -0.252 38.724 39.000 -0.039 0.000 1.071 1034 F HN 0.758 nan 8.300 nan 0.000 0.578 1035 G N 1.400 110.282 108.800 0.137 0.000 2.421 1035 G HA2 -0.269 3.692 3.960 0.001 0.000 0.216 1035 G HA3 -0.269 3.692 3.960 0.001 0.000 0.216 1035 G C 1.480 176.412 174.900 0.053 0.000 1.171 1035 G CA 0.753 45.916 45.100 0.105 0.000 0.775 1035 G HN 0.620 nan 8.290 nan 0.000 0.543 1036 W N 1.241 122.583 121.300 0.069 0.000 2.538 1036 W HA 0.045 4.706 4.660 0.000 0.000 0.254 1036 W C 1.293 177.835 176.519 0.038 0.000 1.249 1036 W CA 0.694 58.062 57.345 0.038 0.000 1.253 1036 W CB -0.942 28.527 29.460 0.017 0.000 1.130 1036 W HN 0.090 nan 8.180 nan 0.000 0.618 1037 V N 2.033 121.448 119.914 -0.832 0.000 2.469 1037 V HA -0.293 3.828 4.120 0.001 0.000 0.251 1037 V C 2.863 178.785 176.094 -0.287 0.000 1.064 1037 V CA 2.501 64.275 62.300 -0.876 0.000 1.066 1037 V CB -1.043 30.382 31.823 -0.662 0.000 0.667 1037 V HN 0.239 nan 8.190 nan 0.000 0.461 1038 R N -0.024 120.401 120.500 -0.125 0.000 2.161 1038 R HA -0.138 4.203 4.340 0.001 0.000 0.213 1038 R C 2.304 178.637 176.300 0.056 0.000 1.055 1038 R CA 0.984 57.072 56.100 -0.020 0.000 0.996 1038 R CB -0.120 30.179 30.300 -0.003 0.000 0.901 1038 R HN 0.493 nan 8.270 nan 0.000 0.456 1039 Q N 1.254 121.116 119.800 0.103 0.000 2.248 1039 Q HA -0.167 4.173 4.340 0.001 0.000 0.208 1039 Q C 1.531 177.658 176.000 0.211 0.000 0.984 1039 Q CA 2.028 57.930 55.803 0.166 0.000 0.875 1039 Q CB -0.120 28.742 28.738 0.206 0.000 0.910 1039 Q HN 0.621 nan 8.270 nan 0.000 0.433 1040 I N -4.554 116.139 120.570 0.204 0.000 4.057 1040 I HA 0.258 4.429 4.170 0.001 0.000 0.334 1040 I C 0.114 176.332 176.117 0.168 0.000 1.308 1040 I CA -0.354 61.095 61.300 0.247 0.000 1.125 1040 I CB 0.516 38.687 38.000 0.284 0.000 1.034 1040 I HN 0.040 nan 8.210 nan 0.000 0.401 1041 L N 1.130 122.420 121.223 0.111 0.000 3.533 1041 L HA -0.221 4.120 4.340 0.001 0.000 0.477 1041 L C -0.516 176.401 176.870 0.078 0.000 1.306 1041 L CA 1.169 56.058 54.840 0.082 0.000 0.850 1041 L CB -1.511 40.597 42.059 0.083 0.000 1.654 1041 L HN 0.749 nan 8.230 nan 0.000 0.863 1042 Q N -0.158 119.683 119.800 0.068 0.000 2.737 1042 Q HA 0.639 4.980 4.340 0.001 0.000 0.307 1042 Q C -1.037 174.992 176.000 0.047 0.000 0.905 1042 Q CA -1.200 54.642 55.803 0.065 0.000 0.753 1042 Q CB 1.960 30.742 28.738 0.073 0.000 1.463 1042 Q HN 0.094 nan 8.270 nan 0.000 0.455 1043 K N 0.756 121.185 120.400 0.047 0.000 2.444 1043 K HA 0.375 4.696 4.320 0.001 0.000 0.252 1043 K C -0.743 175.852 176.600 -0.009 0.000 0.993 1043 K CA -0.779 55.526 56.287 0.030 0.000 0.847 1043 K CB 1.533 34.091 32.500 0.097 0.000 1.340 1043 K HN 0.683 nan 8.250 nan 0.000 0.446 1044 K N 0.120 120.492 120.400 -0.047 0.000 3.230 1044 K HA -0.159 4.162 4.320 0.001 0.000 0.285 1044 K C -0.192 176.386 176.600 -0.036 0.000 1.196 1044 K CA 0.237 56.482 56.287 -0.069 0.000 0.838 1044 K CB -0.873 31.589 32.500 -0.064 0.000 1.262 1044 K HN 0.415 nan 8.250 nan 0.000 0.492 1045 V N 1.320 121.224 119.914 -0.018 0.000 3.237 1045 V HA 0.362 4.483 4.120 0.001 0.000 0.305 1045 V C 0.069 176.190 176.094 0.045 0.000 1.096 1045 V CA 0.888 63.218 62.300 0.051 0.000 1.130 1045 V CB 1.499 33.394 31.823 0.120 0.000 1.048 1045 V HN 0.488 nan 8.190 nan 0.000 0.484 1046 S N 4.188 119.942 115.700 0.091 0.000 2.668 1046 S HA 0.526 4.996 4.470 0.001 0.000 0.277 1046 S C -0.987 173.663 174.600 0.084 0.000 1.170 1046 S CA -0.610 57.631 58.200 0.068 0.000 0.994 1046 S CB 1.163 64.388 63.200 0.042 0.000 1.051 1046 S HN 1.036 nan 8.310 nan 0.000 0.484 1047 V N 3.787 123.741 119.914 0.068 0.000 2.509 1047 V HA 0.742 4.862 4.120 0.001 0.000 0.284 1047 V C -0.636 175.460 176.094 0.004 0.000 1.047 1047 V CA -0.239 62.058 62.300 -0.006 0.000 0.952 1047 V CB 1.427 33.182 31.823 -0.113 0.000 0.988 1047 V HN 0.901 nan 8.190 nan 0.000 0.469 1048 V N 5.842 125.753 119.914 -0.005 0.000 2.769 1048 V HA 0.665 4.786 4.120 0.001 0.000 0.312 1048 V C -0.104 175.994 176.094 0.008 0.000 1.061 1048 V CA -0.280 62.029 62.300 0.016 0.000 0.931 1048 V CB 2.409 34.249 31.823 0.029 0.000 1.010 1048 V HN 1.036 nan 8.190 nan 0.000 0.433 1049 S N 3.070 118.765 115.700 -0.008 0.000 2.473 1049 S HA 0.796 5.267 4.470 0.001 0.000 0.307 1049 S C -0.967 173.757 174.600 0.206 0.000 1.094 1049 S CA -0.649 57.597 58.200 0.076 0.000 1.070 1049 S CB 1.673 64.826 63.200 -0.079 0.000 1.019 1049 S HN 0.426 nan 8.310 nan 0.000 0.480 1050 V N 2.248 122.326 119.914 0.273 0.000 2.472 1050 V HA 0.826 4.946 4.120 0.001 0.000 0.290 1050 V C 0.244 176.539 176.094 0.336 0.000 1.037 1050 V CA -0.513 61.945 62.300 0.262 0.000 0.908 1050 V CB 1.236 33.164 31.823 0.174 0.000 0.985 1050 V HN 1.198 nan 8.190 nan 0.000 0.454 1051 A N 4.619 127.468 122.820 0.048 0.000 2.332 1051 A HA 0.791 5.111 4.320 0.001 0.000 0.300 1051 A C -0.410 177.045 177.584 -0.215 0.000 1.153 1051 A CA -0.622 51.280 52.037 -0.224 0.000 0.764 1051 A CB 0.848 19.334 19.000 -0.856 0.000 1.174 1051 A HN 0.947 nan 8.150 nan 0.000 0.467 1052 E N 2.976 123.073 120.200 -0.172 0.000 2.224 1052 E HA 0.628 4.979 4.350 0.001 0.000 0.265 1052 E C -1.180 175.312 176.600 -0.181 0.000 0.878 1052 E CA -0.630 55.710 56.400 -0.099 0.000 0.759 1052 E CB 1.948 31.683 29.700 0.058 0.000 1.164 1052 E HN 0.588 nan 8.360 nan 0.000 0.414 1053 I N 2.974 123.458 120.570 -0.143 0.000 2.499 1053 I HA 0.371 4.542 4.170 0.001 0.000 0.296 1053 I C -0.466 175.628 176.117 -0.038 0.000 0.992 1053 I CA -0.020 61.213 61.300 -0.112 0.000 1.297 1053 I CB 1.311 39.262 38.000 -0.080 0.000 1.410 1053 I HN 0.885 nan 8.210 nan 0.000 0.507 1054 T N 3.473 118.014 114.554 -0.022 0.000 2.865 1054 T HA 0.756 5.106 4.350 0.001 0.000 0.294 1054 T C -0.805 173.949 174.700 0.089 0.000 1.119 1054 T CA -0.658 61.362 62.100 -0.135 0.000 1.007 1054 T CB 1.801 70.581 68.868 -0.146 0.000 1.225 1054 T HN 0.551 nan 8.240 nan 0.000 0.515 1055 F N -1.505 118.441 119.950 -0.008 0.000 2.741 1055 F HA 0.594 5.122 4.527 0.001 0.000 0.311 1055 F C -0.851 174.994 175.800 0.075 0.000 1.149 1055 F CA -1.464 56.553 58.000 0.028 0.000 0.930 1055 F CB 0.356 39.370 39.000 0.024 0.000 1.312 1055 F HN 0.563 nan 8.300 nan 0.000 0.450 1056 D N 1.648 122.222 120.400 0.291 0.000 2.455 1056 D HA 0.011 4.651 4.640 0.001 0.000 0.265 1056 D C 1.471 177.883 176.300 0.187 0.000 1.284 1056 D CA 1.047 55.162 54.000 0.192 0.000 0.944 1056 D CB 1.047 41.975 40.800 0.212 0.000 1.121 1056 D HN 0.785 nan 8.370 nan 0.000 0.525 1057 T N 1.896 116.477 114.554 0.046 0.000 2.760 1057 T HA -0.200 4.150 4.350 0.001 0.000 0.269 1057 T C 0.937 175.687 174.700 0.084 0.000 1.047 1057 T CA 1.557 63.673 62.100 0.026 0.000 1.139 1057 T CB -0.057 68.796 68.868 -0.026 0.000 0.855 1057 T HN 0.313 nan 8.240 nan 0.000 0.471 1058 S N -1.190 114.554 115.700 0.073 0.000 2.610 1058 S HA 0.478 4.948 4.470 0.001 0.000 0.273 1058 S C 1.078 175.699 174.600 0.035 0.000 1.274 1058 S CA -0.213 58.015 58.200 0.047 0.000 1.023 1058 S CB 1.053 64.267 63.200 0.024 0.000 0.962 1058 S HN 0.614 nan 8.310 nan 0.000 0.523 1059 V N 2.379 122.281 119.914 -0.020 0.000 0.434 1059 V HA -0.270 3.850 4.120 0.001 0.000 0.092 1059 V C -0.175 175.820 176.094 -0.164 0.000 2.581 1059 V CA 2.037 64.248 62.300 -0.148 0.000 3.733 1059 V CB -2.369 29.241 31.823 -0.355 0.000 1.002 1059 V HN 0.878 nan 8.190 nan 0.000 1.053 1060 Y N 0.594 121.031 120.300 0.229 0.000 2.621 1060 Y HA 0.824 5.375 4.550 0.001 0.000 0.334 1060 Y C 0.333 176.406 175.900 0.287 0.000 1.074 1060 Y CA -0.350 57.904 58.100 0.258 0.000 1.149 1060 Y CB 2.041 40.649 38.460 0.247 0.000 1.302 1060 Y HN 0.629 nan 8.280 nan 0.000 0.501 1061 S N -0.347 115.658 115.700 0.508 0.000 2.712 1061 S HA 0.249 4.720 4.470 0.001 0.000 0.279 1061 S C -1.737 173.065 174.600 0.336 0.000 1.025 1061 S CA -1.282 57.177 58.200 0.431 0.000 0.861 1061 S CB 1.237 64.574 63.200 0.227 0.000 1.091 1061 S HN 0.658 nan 8.310 nan 0.000 0.457 1062 Q N 0.021 120.002 119.800 0.301 0.000 2.260 1062 Q HA 0.566 4.907 4.340 0.001 0.000 0.242 1062 Q C 0.985 177.054 176.000 0.115 0.000 0.932 1062 Q CA -0.616 55.297 55.803 0.183 0.000 0.891 1062 Q CB 1.061 29.894 28.738 0.157 0.000 1.222 1062 Q HN 0.726 nan 8.270 nan 0.000 0.453 1063 L N 2.111 123.397 121.223 0.104 0.000 2.130 1063 L HA 0.281 4.622 4.340 0.001 0.000 0.200 1063 L C -0.988 175.915 176.870 0.055 0.000 1.075 1063 L CA 0.424 55.319 54.840 0.092 0.000 0.768 1063 L CB -1.662 40.469 42.059 0.120 0.000 0.933 1063 L HN 0.547 nan 8.230 nan 0.000 0.451 1064 P HA 0.196 nan 4.420 nan 0.000 0.247 1064 P C 0.859 178.158 177.300 -0.002 0.000 1.225 1064 P CA 1.268 64.379 63.100 0.018 0.000 0.768 1064 P CB 0.282 31.985 31.700 0.005 0.000 1.020 1065 G N 0.106 108.907 108.800 0.002 0.000 2.780 1065 G HA2 -0.139 3.822 3.960 0.001 0.000 0.237 1065 G HA3 -0.139 3.822 3.960 0.001 0.000 0.237 1065 G C -0.924 173.972 174.900 -0.008 0.000 1.965 1065 G CA -0.478 44.620 45.100 -0.005 0.000 1.577 1065 G HN 0.401 nan 8.290 nan 0.000 0.543 1066 Q N 0.776 120.560 119.800 -0.026 0.000 2.444 1066 Q HA 0.469 4.809 4.340 0.001 0.000 0.239 1066 Q C -1.821 174.140 176.000 -0.065 0.000 0.853 1066 Q CA -0.286 55.499 55.803 -0.030 0.000 0.856 1066 Q CB 2.313 31.042 28.738 -0.015 0.000 1.413 1066 Q HN 0.544 nan 8.270 nan 0.000 0.437 1067 E N 1.253 121.390 120.200 -0.104 0.000 2.113 1067 E HA 0.425 4.776 4.350 0.001 0.000 0.273 1067 E C -0.096 176.480 176.600 -0.039 0.000 0.924 1067 E CA -0.430 55.854 56.400 -0.195 0.000 0.764 1067 E CB 1.438 30.856 29.700 -0.470 0.000 1.104 1067 E HN 0.697 nan 8.360 nan 0.000 0.406 1068 A N 3.854 126.724 122.820 0.084 0.000 2.291 1068 A HA 0.031 4.351 4.320 0.001 0.000 0.220 1068 A C 0.638 178.381 177.584 0.265 0.000 1.262 1068 A CA -0.027 52.093 52.037 0.138 0.000 0.867 1068 A CB -0.386 18.680 19.000 0.111 0.000 0.888 1068 A HN 0.518 nan 8.150 nan 0.000 0.487 1069 F N 0.314 120.237 119.950 -0.045 0.000 2.583 1069 F HA -0.064 4.463 4.527 0.001 0.000 0.297 1069 F C 1.855 177.625 175.800 -0.050 0.000 1.131 1069 F CA 0.524 58.494 58.000 -0.050 0.000 1.467 1069 F CB -0.573 38.367 39.000 -0.099 0.000 1.097 1069 F HN 0.430 nan 8.300 nan 0.000 0.586 1070 M N -0.539 119.144 119.600 0.137 0.000 2.853 1070 M HA 0.331 4.811 4.480 0.001 0.000 0.274 1070 M C 0.149 176.459 176.300 0.017 0.000 1.289 1070 M CA 0.295 55.632 55.300 0.062 0.000 1.031 1070 M CB 0.215 32.869 32.600 0.091 0.000 1.352 1070 M HN -0.018 nan 8.290 nan 0.000 0.485 1071 R N 1.193 121.705 120.500 0.020 0.000 3.107 1071 R HA 0.586 4.927 4.340 0.001 0.000 0.224 1071 R C -1.285 175.020 176.300 0.009 0.000 1.734 1071 R CA -0.017 56.083 56.100 -0.000 0.000 1.303 1071 R CB 0.677 30.986 30.300 0.014 0.000 1.570 1071 R HN 0.447 nan 8.270 nan 0.000 0.606 1072 A N 1.641 124.459 122.820 -0.003 0.000 2.250 1072 A HA 0.560 4.881 4.320 0.001 0.000 0.283 1072 A C -0.522 177.147 177.584 0.142 0.000 1.206 1072 A CA -0.229 51.857 52.037 0.083 0.000 0.840 1072 A CB 0.936 20.058 19.000 0.202 0.000 1.220 1072 A HN 0.647 nan 8.150 nan 0.000 0.505 1073 Q N -1.744 118.203 119.800 0.245 0.000 2.426 1073 Q HA 0.518 4.859 4.340 0.001 0.000 0.278 1073 Q C -1.938 174.147 176.000 0.142 0.000 1.007 1073 Q CA -0.449 55.480 55.803 0.210 0.000 0.850 1073 Q CB 2.123 30.909 28.738 0.080 0.000 1.427 1073 Q HN 0.686 nan 8.270 nan 0.000 0.391 1074 T N 1.835 116.455 114.554 0.110 0.000 3.011 1074 T HA 0.316 4.667 4.350 0.001 0.000 0.303 1074 T C -1.178 173.498 174.700 -0.040 0.000 0.997 1074 T CA -0.455 61.579 62.100 -0.109 0.000 1.007 1074 T CB 1.562 70.472 68.868 0.069 0.000 1.017 1074 T HN 0.454 nan 8.240 nan 0.000 0.443 1075 T N 3.107 117.544 114.554 -0.195 0.000 2.821 1075 T HA 0.477 4.828 4.350 0.001 0.000 0.307 1075 T C 0.029 174.891 174.700 0.270 0.000 1.034 1075 T CA -0.231 61.890 62.100 0.034 0.000 0.953 1075 T CB 0.204 69.077 68.868 0.009 0.000 0.968 1075 T HN 0.515 nan 8.240 nan 0.000 0.462 1076 T N 4.011 118.782 114.554 0.363 0.000 2.918 1076 T HA 0.596 4.946 4.350 0.001 0.000 0.283 1076 T C -0.297 174.451 174.700 0.080 0.000 1.001 1076 T CA -0.503 61.789 62.100 0.320 0.000 1.041 1076 T CB 1.224 70.218 68.868 0.209 0.000 1.028 1076 T HN 0.494 nan 8.240 nan 0.000 0.511 1077 V N 2.846 122.711 119.914 -0.081 0.000 2.680 1077 V HA 0.433 4.553 4.120 0.001 0.000 0.309 1077 V C -0.467 175.364 176.094 -0.439 0.000 1.052 1077 V CA -0.737 61.453 62.300 -0.185 0.000 0.908 1077 V CB 1.775 33.497 31.823 -0.168 0.000 1.001 1077 V HN 0.628 nan 8.190 nan 0.000 0.431 1078 L N 2.913 123.946 121.223 -0.317 0.000 3.141 1078 L HA 0.350 4.691 4.340 0.001 0.000 0.263 1078 L C 0.687 177.397 176.870 -0.266 0.000 1.312 1078 L CA 0.388 55.003 54.840 -0.376 0.000 1.012 1078 L CB 0.446 42.368 42.059 -0.227 0.000 1.408 1078 L HN 0.754 nan 8.230 nan 0.000 0.559 1079 E N 2.334 122.362 120.200 -0.286 0.000 2.159 1079 E HA 0.089 4.440 4.350 0.001 0.000 0.272 1079 E C -0.613 175.854 176.600 -0.222 0.000 1.138 1079 E CA 0.160 56.425 56.400 -0.226 0.000 0.915 1079 E CB 0.288 29.830 29.700 -0.263 0.000 1.028 1079 E HN 0.128 nan 8.360 nan 0.000 0.423 1080 K N 4.904 125.249 120.400 -0.090 0.000 2.668 1080 K HA 0.147 4.468 4.320 0.001 0.000 0.246 1080 K C -1.411 175.259 176.600 0.116 0.000 0.976 1080 K CA -0.696 55.584 56.287 -0.011 0.000 0.902 1080 K CB 1.160 33.686 32.500 0.042 0.000 1.172 1080 K HN 0.445 nan 8.250 nan 0.000 0.452 1081 Y N 2.314 122.639 120.300 0.041 0.000 2.612 1081 Y HA 0.333 4.884 4.550 0.001 0.000 0.334 1081 Y C 0.478 176.431 175.900 0.087 0.000 1.227 1081 Y CA -0.084 58.076 58.100 0.100 0.000 1.356 1081 Y CB 0.732 39.330 38.460 0.231 0.000 1.534 1081 Y HN 0.531 nan 8.280 nan 0.000 0.576 1082 K N 0.000 120.075 120.400 -0.542 0.000 2.780 1082 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1082 K CA 0.000 56.061 56.287 -0.376 0.000 0.838 1082 K CB 0.000 32.436 32.500 -0.106 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543