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_E DATA FIRST_RESID 1 DATA SEQUENCE FNLDTEELTA FRVDSAGFGD SVVQYANSWV VVGAPQKITA ANQTGGLYQc DATA SEQUENCE GYSTGAcEPI GLQVPPEAVN MSLGLSLAST TSPSQLLAcG PTVHHEcGRN DATA SEQUENCE MYLTGLcFLL GPTQLTQRLP VSRQEcPXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXFEL 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 0.000 175.852 175.800 0.087 0.000 0.967 1 F CA 0.000 58.073 58.000 0.121 0.000 1.383 1 F CB 0.000 39.056 39.000 0.092 0.000 1.145 2 N N 1.976 120.643 118.700 -0.056 0.000 2.642 2 N HA 0.337 5.077 4.740 -0.000 0.000 0.308 2 N C -1.252 174.261 175.510 0.005 0.000 1.914 2 N CA -0.105 52.948 53.050 0.005 0.000 0.893 2 N CB 0.861 39.314 38.487 -0.058 0.000 1.322 2 N HN 0.409 nan 8.380 nan 0.000 0.490 3 L N 0.805 122.049 121.223 0.035 0.000 2.276 3 L HA 0.269 4.609 4.340 -0.000 0.000 0.286 3 L C 0.102 176.997 176.870 0.041 0.000 1.024 3 L CA -0.884 53.977 54.840 0.035 0.000 0.826 3 L CB 1.218 43.303 42.059 0.045 0.000 1.211 3 L HN 0.094 nan 8.230 nan 0.000 0.422 4 D N 1.924 122.345 120.400 0.034 0.000 2.533 4 D HA -0.019 4.621 4.640 -0.000 0.000 0.236 4 D C 0.098 176.414 176.300 0.026 0.000 1.137 4 D CA 0.584 54.603 54.000 0.031 0.000 0.867 4 D CB 0.883 41.700 40.800 0.027 0.000 1.170 4 D HN 0.478 nan 8.370 nan 0.000 0.474 5 T N 4.277 118.843 114.554 0.020 0.000 3.448 5 T HA 0.227 4.577 4.350 -0.000 0.000 0.271 5 T C 0.143 174.840 174.700 -0.004 0.000 1.002 5 T CA -0.579 61.524 62.100 0.005 0.000 0.995 5 T CB 0.289 69.160 68.868 0.004 0.000 1.153 5 T HN 0.374 nan 8.240 nan 0.000 0.510 6 E N 0.805 121.005 120.200 -0.001 0.000 3.706 6 E HA 0.092 4.442 4.350 -0.000 0.000 0.266 6 E C -0.141 176.454 176.600 -0.009 0.000 1.251 6 E CA 0.039 56.435 56.400 -0.006 0.000 1.870 6 E CB 0.164 29.866 29.700 0.004 0.000 1.842 6 E HN 0.138 nan 8.360 nan 0.000 0.862 7 E N 2.387 122.589 120.200 0.004 0.000 2.069 7 E HA 0.298 4.648 4.350 -0.000 0.000 0.254 7 E C -0.044 176.566 176.600 0.016 0.000 1.088 7 E CA -0.118 56.284 56.400 0.004 0.000 1.017 7 E CB -0.006 29.705 29.700 0.018 0.000 1.226 7 E HN 0.112 nan 8.360 nan 0.000 0.458 8 L N -1.300 119.923 121.223 -0.001 0.000 2.256 8 L HA 0.707 5.047 4.340 -0.000 0.000 0.261 8 L C 0.296 177.150 176.870 -0.028 0.000 1.022 8 L CA -1.022 53.822 54.840 0.007 0.000 0.828 8 L CB 0.752 42.813 42.059 0.003 0.000 1.374 8 L HN -0.022 nan 8.230 nan 0.000 0.436 9 T N -1.896 112.634 114.554 -0.040 0.000 2.902 9 T HA 0.904 5.254 4.350 -0.000 0.000 0.283 9 T C -0.288 174.252 174.700 -0.265 0.000 1.009 9 T CA -0.145 61.846 62.100 -0.182 0.000 1.051 9 T CB 1.487 70.240 68.868 -0.192 0.000 0.999 9 T HN 1.151 nan 8.240 nan 0.000 0.474 10 A N 2.098 124.683 122.820 -0.393 0.000 2.375 10 A HA 0.678 4.998 4.320 -0.000 0.000 0.295 10 A C -1.249 176.118 177.584 -0.362 0.000 1.066 10 A CA -0.850 51.017 52.037 -0.283 0.000 0.722 10 A CB 0.681 19.601 19.000 -0.133 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 -0.000 0.000 0.370 11 F C 1.237 177.055 175.800 0.030 0.000 1.100 11 F CA -0.529 57.500 58.000 0.049 0.000 1.108 11 F CB 1.427 40.504 39.000 0.128 0.000 1.293 11 F HN 0.648 nan 8.300 nan 0.000 0.478 12 R N 1.930 122.478 120.500 0.080 0.000 3.256 12 R HA 0.524 4.864 4.340 -0.000 0.000 0.263 12 R C -1.486 174.673 176.300 -0.234 0.000 1.388 12 R CA -0.357 55.719 56.100 -0.040 0.000 1.580 12 R CB 0.037 30.315 30.300 -0.037 0.000 1.255 12 R HN 0.297 nan 8.270 nan 0.000 0.640 13 V N 2.352 121.918 119.914 -0.581 0.000 2.372 13 V HA 0.020 4.140 4.120 -0.000 0.000 0.261 13 V C 0.130 175.715 176.094 -0.848 0.000 1.055 13 V CA -0.446 61.330 62.300 -0.873 0.000 0.930 13 V CB 0.890 31.881 31.823 -1.388 0.000 1.031 13 V HN 0.519 nan 8.190 nan 0.000 0.479 14 D N 3.904 124.064 120.400 -0.400 0.000 2.416 14 D HA 0.142 4.782 4.640 -0.000 0.000 0.240 14 D C 0.262 176.483 176.300 -0.132 0.000 1.250 14 D CA 0.307 54.185 54.000 -0.204 0.000 0.967 14 D CB 0.508 41.241 40.800 -0.112 0.000 1.059 14 D HN 0.478 nan 8.370 nan 0.000 0.512 15 S N 2.220 117.892 115.700 -0.047 0.000 2.327 15 S HA 0.577 5.047 4.470 -0.000 0.000 0.203 15 S C 0.554 175.258 174.600 0.174 0.000 1.326 15 S CA -0.026 58.236 58.200 0.104 0.000 1.248 15 S CB 0.538 63.887 63.200 0.248 0.000 1.199 15 S HN 0.706 nan 8.310 nan 0.000 0.422 16 A N 1.595 124.486 122.820 0.118 0.000 5.022 16 A HA -0.207 4.113 4.320 -0.000 0.000 0.312 16 A C 1.498 179.173 177.584 0.152 0.000 1.965 16 A CA 0.865 52.972 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 1.237 nan 8.150 nan 0.000 0.364 17 G N -1.083 107.809 108.800 0.152 0.000 3.379 17 G HA2 0.428 4.388 3.960 -0.000 0.000 0.253 17 G HA3 0.428 4.388 3.960 -0.000 0.000 0.253 17 G C 0.202 175.204 174.900 0.171 0.000 1.262 17 G CA 0.727 45.914 45.100 0.145 0.000 0.959 17 G HN 1.079 nan 8.290 nan 0.000 0.524 18 F N 1.101 121.098 119.950 0.079 0.000 2.539 18 F HA 0.398 4.925 4.527 -0.000 0.000 0.340 18 F C 1.343 177.191 175.800 0.080 0.000 1.185 18 F CA 0.824 58.879 58.000 0.091 0.000 1.333 18 F CB 0.875 39.925 39.000 0.084 0.000 1.152 18 F HN 0.252 nan 8.300 nan 0.000 0.602 19 G N 3.883 112.224 108.800 -0.764 0.000 2.356 19 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.296 19 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.296 19 G C 0.369 175.217 174.900 -0.088 0.000 1.022 19 G CA 0.694 45.572 45.100 -0.370 0.000 0.961 19 G HN 0.867 nan 8.290 nan 0.000 0.510 20 D N -0.970 119.372 120.400 -0.096 0.000 2.454 20 D HA 0.286 4.926 4.640 -0.000 0.000 0.214 20 D C 0.719 176.994 176.300 -0.041 0.000 1.088 20 D CA 1.101 55.095 54.000 -0.009 0.000 0.855 20 D CB 0.570 41.386 40.800 0.026 0.000 1.025 20 D HN 0.388 nan 8.370 nan 0.000 0.502 21 S N -0.107 115.541 115.700 -0.087 0.000 2.592 21 S HA 0.570 5.040 4.470 -0.000 0.000 0.275 21 S C -1.803 172.744 174.600 -0.090 0.000 1.169 21 S CA -0.595 57.557 58.200 -0.080 0.000 0.958 21 S CB 1.204 64.352 63.200 -0.087 0.000 1.095 21 S HN -0.079 nan 8.310 nan 0.000 0.471 22 V N 4.910 124.789 119.914 -0.058 0.000 3.078 22 V HA 0.998 5.118 4.120 -0.000 0.000 0.311 22 V C -1.237 174.858 176.094 0.002 0.000 1.138 22 V CA -0.249 62.029 62.300 -0.036 0.000 1.007 22 V CB 2.031 33.841 31.823 -0.022 0.000 1.045 22 V HN 0.949 nan 8.190 nan 0.000 0.432 23 V N 4.057 123.989 119.914 0.030 0.000 3.178 23 V HA 0.542 4.662 4.120 -0.000 0.000 0.302 23 V C -1.275 174.877 176.094 0.097 0.000 1.262 23 V CA -0.600 61.735 62.300 0.059 0.000 1.030 23 V CB 2.635 34.498 31.823 0.068 0.000 1.074 23 V HN 0.936 nan 8.190 nan 0.000 0.438 24 Q N 3.699 123.557 119.800 0.097 0.000 2.344 24 Q HA 0.206 4.546 4.340 -0.000 0.000 0.253 24 Q C -0.742 175.355 176.000 0.161 0.000 1.050 24 Q CA 0.010 55.884 55.803 0.117 0.000 0.912 24 Q CB 0.854 29.634 28.738 0.070 0.000 1.258 24 Q HN 0.693 nan 8.270 nan 0.000 0.443 25 Y N 2.104 122.442 120.300 0.063 0.000 2.183 25 Y HA 0.163 4.713 4.550 -0.000 0.000 0.380 25 Y C 0.457 176.390 175.900 0.055 0.000 1.308 25 Y CA -0.626 57.508 58.100 0.056 0.000 1.813 25 Y CB 0.253 38.774 38.460 0.100 0.000 1.584 25 Y HN 0.672 nan 8.280 nan 0.000 0.665 26 A N 2.612 124.948 122.820 -0.806 0.000 2.622 26 A HA -0.169 4.151 4.320 -0.000 0.000 0.235 26 A C 1.269 178.767 177.584 -0.144 0.000 1.013 26 A CA 0.454 52.156 52.037 -0.557 0.000 0.765 26 A CB -0.363 18.151 19.000 -0.809 0.000 0.921 26 A HN 0.879 nan 8.150 nan 0.000 0.506 27 N N 1.475 120.131 118.700 -0.074 0.000 2.182 27 N HA -0.154 4.586 4.740 -0.000 0.000 0.192 27 N C 1.727 177.262 175.510 0.043 0.000 1.007 27 N CA 1.913 54.960 53.050 -0.006 0.000 0.873 27 N CB -0.322 38.151 38.487 -0.023 0.000 0.998 27 N HN 0.656 nan 8.380 nan 0.000 0.436 28 S N -1.046 114.710 115.700 0.095 0.000 2.453 28 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 28 S C 0.047 174.600 174.600 -0.078 0.000 1.005 28 S CA 0.622 58.852 58.200 0.049 0.000 0.949 28 S CB 0.109 63.419 63.200 0.182 0.000 0.774 28 S HN 0.374 nan 8.310 nan 0.000 0.510 29 W N -1.082 120.303 121.300 0.142 0.000 3.029 29 W HA 0.679 5.339 4.660 0.000 0.000 0.339 29 W C -1.002 175.635 176.519 0.196 0.000 1.198 29 W CA -0.710 56.752 57.345 0.195 0.000 1.148 29 W CB 1.049 30.678 29.460 0.283 0.000 1.451 29 W HN -0.304 nan 8.180 nan 0.000 0.564 30 V N 2.455 122.608 119.914 0.398 0.000 2.588 30 V HA 0.732 4.852 4.120 -0.000 0.000 0.304 30 V C -1.553 174.651 176.094 0.183 0.000 1.042 30 V CA -0.950 61.507 62.300 0.262 0.000 0.877 30 V CB 1.748 33.695 31.823 0.208 0.000 0.996 30 V HN 0.341 nan 8.190 nan 0.000 0.425 31 V N 7.353 127.335 119.914 0.113 0.000 2.398 31 V HA 0.567 4.687 4.120 -0.000 0.000 0.286 31 V C 0.084 176.170 176.094 -0.014 0.000 1.026 31 V CA -0.157 62.152 62.300 0.015 0.000 0.868 31 V CB 1.744 33.525 31.823 -0.071 0.000 0.982 31 V HN 0.886 nan 8.190 nan 0.000 0.443 32 V N 2.440 122.324 119.914 -0.050 0.000 3.093 32 V HA 1.051 5.171 4.120 -0.000 0.000 0.320 32 V C 0.324 176.312 176.094 -0.177 0.000 1.093 32 V CA -0.554 61.639 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 0.886 nan 8.190 nan 0.000 0.452 33 G N -0.027 108.632 108.800 -0.234 0.000 2.513 33 G HA2 0.751 4.711 3.960 -0.000 0.000 0.317 33 G HA3 0.751 4.711 3.960 -0.000 0.000 0.317 33 G C -0.582 174.243 174.900 -0.125 0.000 1.277 33 G CA -0.387 44.629 45.100 -0.140 0.000 0.955 33 G HN 1.634 nan 8.290 nan 0.000 0.484 34 A N 3.700 126.511 122.820 -0.015 0.000 3.030 34 A HA 0.677 4.997 4.320 -0.000 0.000 0.335 34 A C -1.770 175.846 177.584 0.052 0.000 1.089 34 A CA -1.185 50.898 52.037 0.076 0.000 0.807 34 A CB 1.408 20.555 19.000 0.246 0.000 1.099 34 A HN 0.368 nan 8.150 nan 0.000 0.474 35 P HA -0.166 nan 4.420 nan 0.000 0.216 35 P C 0.712 178.040 177.300 0.048 0.000 1.150 35 P CA 1.408 64.526 63.100 0.031 0.000 0.843 35 P CB 0.262 31.978 31.700 0.025 0.000 0.787 36 Q N -0.833 119.005 119.800 0.063 0.000 2.242 36 Q HA 0.109 4.449 4.340 -0.000 0.000 0.246 36 Q C 0.314 176.357 176.000 0.071 0.000 0.883 36 Q CA 0.127 55.969 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 -0.000 0.000 0.243 37 K C -0.637 175.988 176.600 0.041 0.000 1.160 37 K CA -0.262 56.070 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 0.267 nan 8.250 nan 0.000 0.361 38 I N 3.361 123.954 120.570 0.038 0.000 2.996 38 I HA -0.179 3.991 4.170 -0.000 0.000 0.310 38 I C 0.406 176.530 176.117 0.012 0.000 1.225 38 I CA 1.052 62.365 61.300 0.022 0.000 1.442 38 I CB 0.008 38.020 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 0.004 0.000 2.991 39 T HA 0.712 5.062 4.350 -0.000 0.000 0.303 39 T C -0.048 174.649 174.700 -0.005 0.000 1.015 39 T CA -0.130 61.966 62.100 -0.006 0.000 1.007 39 T CB 1.870 70.727 68.868 -0.020 0.000 1.034 39 T HN 1.261 nan 8.240 nan 0.000 0.446 40 A N 2.289 125.106 122.820 -0.006 0.000 5.699 40 A HA 0.250 4.570 4.320 -0.000 0.000 0.280 40 A C 0.755 178.336 177.584 -0.005 0.000 2.071 40 A CA 0.156 52.189 52.037 -0.006 0.000 0.714 40 A CB -1.692 17.304 19.000 -0.006 0.000 1.162 40 A HN 2.577 nan 8.150 nan 0.000 0.363 41 A N 0.176 122.993 122.820 -0.006 0.000 2.391 41 A HA 0.518 4.838 4.320 -0.000 0.000 0.316 41 A C 0.608 178.181 177.584 -0.017 0.000 1.381 41 A CA 0.485 52.515 52.037 -0.011 0.000 0.998 41 A CB -0.778 18.216 19.000 -0.011 0.000 1.147 41 A HN 1.677 nan 8.150 nan 0.000 0.545 42 N N 1.317 120.005 118.700 -0.021 0.000 2.700 42 N HA -0.202 4.538 4.740 -0.000 0.000 0.265 42 N C 0.319 175.814 175.510 -0.026 0.000 0.975 42 N CA 1.568 54.598 53.050 -0.033 0.000 0.800 42 N CB -0.559 37.889 38.487 -0.065 0.000 0.908 42 N HN 0.945 nan 8.380 nan 0.000 0.551 43 Q N -0.795 119.005 119.800 -0.001 0.000 3.078 43 Q HA 0.309 4.649 4.340 -0.000 0.000 0.202 43 Q C 0.997 177.017 176.000 0.034 0.000 1.165 43 Q CA -0.079 55.736 55.803 0.019 0.000 0.377 43 Q CB 0.452 29.200 28.738 0.016 0.000 5.614 43 Q HN 0.425 nan 8.270 nan 0.000 0.305 44 T N -2.513 112.059 114.554 0.030 0.000 2.801 44 T HA 0.445 4.795 4.350 -0.000 0.000 0.324 44 T C 0.792 175.501 174.700 0.014 0.000 1.088 44 T CA -0.033 62.085 62.100 0.031 0.000 0.975 44 T CB 0.505 69.382 68.868 0.014 0.000 1.316 44 T HN 0.638 nan 8.240 nan 0.000 0.533 45 G N -1.106 107.695 108.800 0.002 0.000 2.478 45 G HA2 0.623 4.583 3.960 -0.000 0.000 0.211 45 G HA3 0.623 4.583 3.960 -0.000 0.000 0.211 45 G C 0.518 175.391 174.900 -0.046 0.000 1.726 45 G CA -0.031 45.069 45.100 -0.001 0.000 0.725 45 G HN 1.631 nan 8.290 nan 0.000 0.654 46 G N -1.277 107.471 108.800 -0.086 0.000 2.321 46 G HA2 0.363 4.323 3.960 -0.000 0.000 0.339 46 G HA3 0.363 4.323 3.960 -0.000 0.000 0.339 46 G C -1.454 173.311 174.900 -0.225 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 -0.331 120.692 121.223 -0.333 0.000 2.303 47 L HA 0.805 5.145 4.340 -0.000 0.000 0.266 47 L C -0.989 175.627 176.870 -0.423 0.000 1.011 47 L CA -1.180 53.493 54.840 -0.277 0.000 0.818 47 L CB 2.195 44.121 42.059 -0.222 0.000 1.326 47 L HN 0.579 nan 8.230 nan 0.000 0.435 48 Y N 0.192 120.476 120.300 -0.026 0.000 2.386 48 Y HA 0.281 4.831 4.550 -0.000 0.000 0.334 48 Y C -0.456 175.428 175.900 -0.027 0.000 1.002 48 Y CA -0.907 57.202 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 2.010 121.885 119.800 0.124 0.000 2.241 49 Q HA 0.785 5.125 4.340 -0.000 0.000 0.254 49 Q C -1.277 174.887 176.000 0.274 0.000 0.917 49 Q CA -0.566 55.310 55.803 0.121 0.000 0.919 49 Q CB 1.547 30.203 28.738 -0.136 0.000 1.237 49 Q HN 0.619 nan 8.270 nan 0.000 0.434 50 c N 2.491 121.254 118.600 0.272 0.000 2.482 50 c HA 0.856 5.426 4.570 -0.000 0.000 0.317 50 c C 0.396 174.466 174.090 -0.033 0.000 1.197 50 c CA -0.543 55.723 56.329 -0.105 0.000 1.432 50 c CB 1.124 43.080 42.510 -0.924 0.000 2.062 50 c HN 1.012 nan 8.230 nan 0.000 0.471 51 G N 0.207 108.867 108.800 -0.234 0.000 2.441 51 G HA2 0.470 4.430 3.960 -0.000 0.000 0.334 51 G HA3 0.470 4.430 3.960 -0.000 0.000 0.334 51 G C -0.191 174.720 174.900 0.018 0.000 1.161 51 G CA -0.172 44.654 45.100 -0.456 0.000 0.935 51 G HN 0.795 nan 8.290 nan 0.000 0.488 52 Y N 1.119 121.363 120.300 -0.094 0.000 2.243 52 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 52 Y C 2.885 178.777 175.900 -0.014 0.000 1.124 52 Y CA 2.145 60.258 58.100 0.022 0.000 1.159 52 Y CB -0.111 38.337 38.460 -0.020 0.000 1.008 52 Y HN 0.458 nan 8.280 nan 0.000 0.527 53 S N -0.303 115.346 115.700 -0.083 0.000 2.401 53 S HA -0.249 4.221 4.470 -0.000 0.000 0.236 53 S C 0.890 175.369 174.600 -0.202 0.000 1.058 53 S CA 1.981 60.097 58.200 -0.141 0.000 1.151 53 S CB -1.189 61.965 63.200 -0.076 0.000 1.049 53 S HN 0.672 nan 8.310 nan 0.000 0.432 54 T N -0.619 113.864 114.554 -0.119 0.000 2.792 54 T HA 0.625 4.975 4.350 -0.000 0.000 0.280 54 T C 0.048 174.762 174.700 0.024 0.000 0.990 54 T CA -0.477 61.580 62.100 -0.071 0.000 0.960 54 T CB 1.804 70.658 68.868 -0.024 0.000 0.939 54 T HN 0.217 nan 8.240 nan 0.000 0.439 55 G N 1.735 110.536 108.800 0.001 0.000 2.852 55 G HA2 0.520 4.480 3.960 -0.000 0.000 0.280 55 G HA3 0.520 4.480 3.960 -0.000 0.000 0.280 55 G C 0.043 175.121 174.900 0.296 0.000 0.731 55 G CA -0.207 44.971 45.100 0.130 0.000 2.037 55 G HN 1.250 nan 8.290 nan 0.000 0.560 56 A N 0.771 123.842 122.820 0.418 0.000 2.594 56 A HA 0.592 4.912 4.320 -0.000 0.000 0.296 56 A C -0.808 176.764 177.584 -0.021 0.000 1.061 56 A CA -0.581 51.560 52.037 0.174 0.000 0.689 56 A CB 0.994 20.040 19.000 0.075 0.000 1.280 56 A HN 0.567 nan 8.150 nan 0.000 0.406 57 c N 1.989 120.524 118.600 -0.108 0.000 2.281 57 c HA 0.688 5.258 4.570 -0.000 0.000 0.325 57 c C -0.110 173.981 174.090 0.002 0.000 1.282 57 c CA -0.620 55.619 56.329 -0.150 0.000 1.640 57 c CB 0.470 42.811 42.510 -0.281 0.000 2.288 57 c HN 0.746 nan 8.230 nan 0.000 0.507 58 E N 3.515 123.800 120.200 0.141 0.000 2.197 58 E HA 0.335 4.685 4.350 -0.000 0.000 0.281 58 E C -2.274 174.495 176.600 0.282 0.000 0.995 58 E CA -1.919 54.589 56.400 0.181 0.000 0.808 58 E CB 1.011 30.799 29.700 0.147 0.000 1.093 58 E HN 0.408 nan 8.360 nan 0.000 0.394 59 P HA 0.062 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 0.169 63.305 63.100 0.060 0.000 0.781 59 P CB 0.600 32.318 31.700 0.030 0.000 0.877 60 I N 0.693 121.134 120.570 -0.215 0.000 2.433 60 I HA 0.483 4.653 4.170 -0.000 0.000 0.292 60 I C 0.377 176.365 176.117 -0.215 0.000 1.001 60 I CA -0.738 60.435 61.300 -0.213 0.000 1.119 60 I CB 1.310 39.158 38.000 -0.253 0.000 1.289 60 I HN 0.337 nan 8.210 nan 0.000 0.438 61 G N 7.888 116.582 108.800 -0.177 0.000 2.365 61 G HA2 0.440 4.400 3.960 -0.000 0.000 0.249 61 G HA3 0.440 4.400 3.960 -0.000 0.000 0.249 61 G C -0.926 173.857 174.900 -0.196 0.000 1.288 61 G CA -0.193 44.811 45.100 -0.160 0.000 0.887 61 G HN 0.570 nan 8.290 nan 0.000 0.524 62 L N 1.458 122.559 121.223 -0.204 0.000 2.482 62 L HA 0.267 4.607 4.340 -0.000 0.000 0.263 62 L C -0.726 176.027 176.870 -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 2.188 121.892 119.800 -0.161 0.000 2.963 63 Q HA 0.252 4.592 4.340 -0.000 0.000 0.262 63 Q C -0.599 175.378 176.000 -0.040 0.000 1.318 63 Q CA -0.191 55.566 55.803 -0.076 0.000 1.089 63 Q CB 0.636 29.357 28.738 -0.029 0.000 1.424 63 Q HN 0.312 nan 8.270 nan 0.000 0.560 64 V N 3.333 123.203 119.914 -0.073 0.000 2.409 64 V HA 0.082 4.202 4.120 -0.000 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 -0.004 0.000 1.066 64 V CB -0.332 31.468 31.823 -0.040 0.000 1.021 64 V HN 0.479 nan 8.190 nan 0.000 0.476 65 P HA 0.183 nan 4.420 nan 0.000 0.268 65 P C -1.993 175.334 177.300 0.045 0.000 1.205 65 P CA -1.349 61.785 63.100 0.057 0.000 0.771 65 P CB 0.159 31.895 31.700 0.059 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 0.036 0.000 1.146 66 P CA 1.370 64.486 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 0.234 120.455 120.200 0.034 0.000 2.038 67 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 67 E C 1.119 177.754 176.600 0.058 0.000 1.000 67 E CA 0.984 57.407 56.400 0.038 0.000 0.803 67 E CB -1.084 28.625 29.700 0.015 0.000 0.750 67 E HN 0.167 nan 8.360 nan 0.000 0.448 68 A N 2.234 125.090 122.820 0.059 0.000 2.444 68 A HA 0.337 4.657 4.320 -0.000 0.000 0.273 68 A C 0.021 177.662 177.584 0.096 0.000 1.136 68 A CA -0.119 51.965 52.037 0.079 0.000 0.799 68 A CB 0.303 19.356 19.000 0.088 0.000 1.081 68 A HN -0.030 nan 8.150 nan 0.000 0.509 69 V N 2.875 122.865 119.914 0.127 0.000 2.864 69 V HA 0.340 4.460 4.120 -0.000 0.000 0.314 69 V C 0.926 177.135 176.094 0.192 0.000 1.073 69 V CA -0.534 61.838 62.300 0.120 0.000 0.956 69 V CB 1.665 33.544 31.823 0.093 0.000 1.023 69 V HN 1.056 nan 8.190 nan 0.000 0.435 70 N N 2.080 120.842 118.700 0.102 0.000 2.685 70 N HA -0.255 4.485 4.740 -0.000 0.000 0.251 70 N C 0.909 176.561 175.510 0.236 0.000 1.020 70 N CA 1.573 54.684 53.050 0.103 0.000 0.762 70 N CB -0.425 37.979 38.487 -0.138 0.000 0.958 70 N HN 0.859 nan 8.380 nan 0.000 0.539 71 M N -2.209 117.495 119.600 0.174 0.000 2.558 71 M HA 0.149 4.629 4.480 -0.000 0.000 0.255 71 M C 0.320 176.685 176.300 0.108 0.000 1.113 71 M CA 0.742 56.127 55.300 0.142 0.000 1.097 71 M CB 0.124 32.794 32.600 0.118 0.000 1.426 71 M HN 0.064 nan 8.290 nan 0.000 0.488 72 S N 2.923 118.679 115.700 0.092 0.000 3.292 72 S HA -0.090 4.380 4.470 -0.000 0.000 0.360 72 S C 0.201 174.832 174.600 0.052 0.000 0.930 72 S CA 0.575 58.814 58.200 0.065 0.000 1.317 72 S CB -2.381 60.861 63.200 0.070 0.000 0.920 72 S HN 0.684 nan 8.310 nan 0.000 0.540 73 L N -1.119 120.136 121.223 0.054 0.000 2.474 73 L HA 0.745 5.085 4.340 -0.000 0.000 0.259 73 L C 1.531 178.406 176.870 0.009 0.000 1.232 73 L CA 0.738 55.612 54.840 0.057 0.000 0.821 73 L CB -0.306 41.815 42.059 0.102 0.000 1.108 73 L HN 0.630 nan 8.230 nan 0.000 0.495 74 G N -0.269 108.530 108.800 -0.001 0.000 2.258 74 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.233 74 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.233 74 G C 0.655 175.522 174.900 -0.054 0.000 1.006 74 G CA 0.491 45.570 45.100 -0.036 0.000 0.620 74 G HN 0.965 nan 8.290 nan 0.000 0.511 75 L N 1.624 122.815 121.223 -0.054 0.000 2.042 75 L HA 0.365 4.705 4.340 -0.000 0.000 0.210 75 L C 1.419 178.189 176.870 -0.166 0.000 1.076 75 L CA 2.820 57.601 54.840 -0.097 0.000 0.749 75 L CB -0.255 41.751 42.059 -0.089 0.000 0.893 75 L HN 0.531 nan 8.230 nan 0.000 0.432 76 S N -0.991 114.615 115.700 -0.156 0.000 2.473 76 S HA 0.674 5.144 4.470 -0.000 0.000 0.307 76 S C -0.748 173.800 174.600 -0.087 0.000 1.094 76 S CA -0.800 57.292 58.200 -0.180 0.000 1.070 76 S CB 0.567 63.631 63.200 -0.227 0.000 1.019 76 S HN 0.183 nan 8.310 nan 0.000 0.480 77 L N 2.780 123.965 121.223 -0.063 0.000 2.327 77 L HA 0.994 5.334 4.340 -0.000 0.000 0.258 77 L C -0.644 176.254 176.870 0.048 0.000 1.024 77 L CA -0.918 53.921 54.840 -0.001 0.000 0.825 77 L CB 2.232 44.288 42.059 -0.005 0.000 1.386 77 L HN 0.801 nan 8.230 nan 0.000 0.417 78 A N 0.852 123.754 122.820 0.136 0.000 2.573 78 A HA 0.642 4.962 4.320 -0.000 0.000 0.299 78 A C -1.451 176.390 177.584 0.429 0.000 1.060 78 A CA -0.359 51.833 52.037 0.258 0.000 0.736 78 A CB 1.848 21.002 19.000 0.258 0.000 1.280 78 A HN 0.439 nan 8.150 nan 0.000 0.401 79 S N 0.296 116.143 115.700 0.245 0.000 2.536 79 S HA 0.841 5.311 4.470 -0.000 0.000 0.287 79 S C -0.339 173.988 174.600 -0.456 0.000 1.101 79 S CA 0.205 58.372 58.200 -0.055 0.000 0.950 79 S CB 1.790 65.020 63.200 0.049 0.000 1.056 79 S HN 1.508 nan 8.310 nan 0.000 0.481 80 T N 0.843 114.783 114.554 -1.023 0.000 2.950 80 T HA 0.594 4.944 4.350 -0.000 0.000 0.288 80 T C 1.153 175.615 174.700 -0.395 0.000 1.035 80 T CA 0.120 61.750 62.100 -0.782 0.000 1.028 80 T CB 1.261 69.465 68.868 -1.107 0.000 1.109 80 T HN 0.814 nan 8.240 nan 0.000 0.514 81 T N -0.763 113.649 114.554 -0.237 0.000 2.971 81 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 81 T C 1.920 176.550 174.700 -0.115 0.000 1.022 81 T CA 0.420 62.427 62.100 -0.155 0.000 0.980 81 T CB -0.183 68.627 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 -0.101 0.000 2.523 82 S HA 0.017 4.487 4.470 -0.000 0.000 0.226 82 S C -1.496 173.079 174.600 -0.042 0.000 1.062 82 S CA 0.880 59.052 58.200 -0.047 0.000 1.207 82 S CB -1.207 61.985 63.200 -0.012 0.000 1.151 82 S HN 0.489 nan 8.310 nan 0.000 0.408 83 P HA 0.321 nan 4.420 nan 0.000 0.288 83 P C -1.141 176.108 177.300 -0.086 0.000 1.267 83 P CA -0.368 62.706 63.100 -0.043 0.000 0.815 83 P CB 0.994 32.688 31.700 -0.011 0.000 0.989 84 S N 2.401 118.034 115.700 -0.111 0.000 2.506 84 S HA 0.134 4.604 4.470 -0.000 0.000 0.291 84 S C -0.104 174.417 174.600 -0.131 0.000 1.230 84 S CA -0.284 57.807 58.200 -0.181 0.000 1.107 84 S CB -0.419 62.636 63.200 -0.242 0.000 0.942 84 S HN 0.399 nan 8.310 nan 0.000 0.502 85 Q N 1.580 121.300 119.800 -0.133 0.000 2.587 85 Q HA 0.771 5.111 4.340 -0.000 0.000 0.293 85 Q C -1.201 174.876 176.000 0.127 0.000 1.083 85 Q CA -1.007 54.823 55.803 0.045 0.000 0.792 85 Q CB 2.275 31.079 28.738 0.111 0.000 1.484 85 Q HN 0.737 nan 8.270 nan 0.000 0.446 86 L N 0.765 122.178 121.223 0.318 0.000 2.376 86 L HA 0.661 5.001 4.340 -0.000 0.000 0.258 86 L C -2.104 174.971 176.870 0.342 0.000 1.013 86 L CA -1.025 54.010 54.840 0.326 0.000 0.822 86 L CB 2.247 44.422 42.059 0.194 0.000 1.388 86 L HN 0.534 nan 8.230 nan 0.000 0.413 87 L N 3.224 124.638 121.223 0.318 0.000 2.446 87 L HA 0.827 5.167 4.340 -0.000 0.000 0.268 87 L C -0.759 176.173 176.870 0.102 0.000 0.975 87 L CA -0.079 54.872 54.840 0.185 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 3.577 126.452 122.820 0.093 0.000 2.299 88 A HA 0.912 5.232 4.320 -0.000 0.000 0.332 88 A C -0.947 176.712 177.584 0.126 0.000 1.131 88 A CA -0.408 51.679 52.037 0.084 0.000 0.844 88 A CB 1.302 20.336 19.000 0.057 0.000 1.251 88 A HN 0.752 nan 8.150 nan 0.000 0.486 89 c N -0.309 118.344 118.600 0.089 0.000 2.891 89 c HA 0.661 5.231 4.570 -0.000 0.000 0.342 89 c C 0.523 174.652 174.090 0.066 0.000 1.126 89 c CA -0.497 55.862 56.329 0.050 0.000 1.322 89 c CB 1.515 44.009 42.510 -0.027 0.000 1.763 89 c HN 1.172 nan 8.230 nan 0.000 0.491 90 G N 2.632 111.478 108.800 0.077 0.000 3.005 90 G HA2 0.481 4.441 3.960 -0.000 0.000 0.342 90 G HA3 0.481 4.441 3.960 -0.000 0.000 0.342 90 G C -2.173 172.743 174.900 0.026 0.000 1.101 90 G CA -0.912 44.229 45.100 0.069 0.000 1.225 90 G HN 0.563 nan 8.290 nan 0.000 0.462 91 P HA 0.082 nan 4.420 nan 0.000 0.258 91 P C 0.808 178.142 177.300 0.056 0.000 1.319 91 P CA 0.677 63.809 63.100 0.052 0.000 0.785 91 P CB 0.347 32.108 31.700 0.101 0.000 1.252 92 T N -4.550 110.026 114.554 0.037 0.000 3.633 92 T HA 0.238 4.588 4.350 -0.000 0.000 0.278 92 T C 0.084 174.751 174.700 -0.056 0.000 0.991 92 T CA -0.418 61.681 62.100 -0.001 0.000 1.036 92 T CB -0.794 68.135 68.868 0.101 0.000 1.148 92 T HN -0.294 nan 8.240 nan 0.000 0.501 93 V N 2.273 122.162 119.914 -0.042 0.000 2.763 93 V HA 0.222 4.342 4.120 -0.000 0.000 0.306 93 V C 0.019 176.055 176.094 -0.096 0.000 1.059 93 V CA 0.026 62.337 62.300 0.019 0.000 1.138 93 V CB -0.180 31.657 31.823 0.024 0.000 0.940 93 V HN 0.662 nan 8.190 nan 0.000 0.489 94 H N 2.539 121.662 119.070 0.089 0.000 2.646 94 H HA 0.555 5.111 4.556 -0.000 0.000 0.328 94 H C -0.321 175.063 175.328 0.093 0.000 0.998 94 H CA -0.545 55.538 56.048 0.059 0.000 1.225 94 H CB 0.768 30.537 29.762 0.012 0.000 1.457 94 H HN 0.924 nan 8.280 nan 0.000 0.505 95 H N 0.152 119.286 119.070 0.107 0.000 2.539 95 H HA 0.304 4.860 4.556 -0.000 0.000 0.332 95 H C -0.646 174.729 175.328 0.079 0.000 1.031 95 H CA -1.170 54.927 56.048 0.081 0.000 1.206 95 H CB 0.915 30.712 29.762 0.059 0.000 1.446 95 H HN 0.616 nan 8.280 nan 0.000 0.496 96 E N 2.845 123.069 120.200 0.040 0.000 2.166 96 E HA 0.153 4.503 4.350 -0.000 0.000 0.279 96 E C -0.483 176.137 176.600 0.034 0.000 1.095 96 E CA -0.615 55.774 56.400 -0.018 0.000 0.888 96 E CB 0.516 30.217 29.700 0.003 0.000 1.041 96 E HN 0.638 nan 8.360 nan 0.000 0.414 97 c N 4.082 122.686 118.600 0.006 0.000 2.435 97 c HA 0.396 4.966 4.570 -0.000 0.000 0.326 97 c C 1.413 175.530 174.090 0.045 0.000 1.328 97 c CA 0.231 56.614 56.329 0.090 0.000 1.741 97 c CB -1.477 41.157 42.510 0.206 0.000 1.998 97 c HN 1.107 nan 8.230 nan 0.000 0.585 98 G N 2.808 111.612 108.800 0.007 0.000 3.127 98 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.280 98 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.280 98 G C 1.234 176.121 174.900 -0.020 0.000 1.491 98 G CA 0.457 45.557 45.100 0.001 0.000 1.029 98 G HN 0.453 nan 8.290 nan 0.000 0.582 99 R N 1.802 122.297 120.500 -0.008 0.000 2.119 99 R HA -0.104 4.236 4.340 -0.000 0.000 0.246 99 R C 0.654 176.919 176.300 -0.058 0.000 1.146 99 R CA 2.188 58.279 56.100 -0.015 0.000 0.962 99 R CB -0.726 29.580 30.300 0.011 0.000 0.863 99 R HN 1.145 nan 8.270 nan 0.000 0.442 100 N N 0.277 118.906 118.700 -0.120 0.000 2.452 100 N HA 0.185 4.925 4.740 -0.000 0.000 0.277 100 N C -0.648 174.531 175.510 -0.552 0.000 1.078 100 N CA -0.980 51.908 53.050 -0.269 0.000 0.947 100 N CB 1.039 39.375 38.487 -0.251 0.000 1.655 100 N HN 0.270 nan 8.380 nan 0.000 0.490 101 M N -0.249 119.054 119.600 -0.494 0.000 2.159 101 M HA 0.636 5.116 4.480 -0.000 0.000 0.293 101 M C -0.957 174.831 176.300 -0.853 0.000 1.186 101 M CA -0.039 54.928 55.300 -0.556 0.000 1.073 101 M CB 0.649 33.108 32.600 -0.234 0.000 1.419 101 M HN 0.521 nan 8.290 nan 0.000 0.490 102 Y N -0.801 119.276 120.300 -0.371 0.000 2.974 102 Y HA 0.755 5.305 4.550 -0.000 0.000 0.310 102 Y C -1.094 174.677 175.900 -0.215 0.000 1.526 102 Y CA -1.098 56.867 58.100 -0.224 0.000 1.087 102 Y CB 1.398 39.785 38.460 -0.121 0.000 1.404 102 Y HN 0.538 nan 8.280 nan 0.000 0.491 103 L N 0.130 121.403 121.223 0.083 0.000 2.409 103 L HA 0.483 4.823 4.340 -0.000 0.000 0.272 103 L C 0.236 177.114 176.870 0.014 0.000 0.980 103 L CA -0.231 54.585 54.840 -0.041 0.000 0.826 103 L CB 2.148 44.137 42.059 -0.116 0.000 1.268 103 L HN 0.831 nan 8.230 nan 0.000 0.407 104 T N 0.818 115.381 114.554 0.014 0.000 3.085 104 T HA 0.467 4.817 4.350 -0.000 0.000 0.241 104 T C 0.597 175.240 174.700 -0.095 0.000 0.988 104 T CA 0.587 62.652 62.100 -0.060 0.000 1.117 104 T CB 0.238 69.042 68.868 -0.107 0.000 0.978 104 T HN 1.010 nan 8.240 nan 0.000 0.454 105 G N 1.132 109.888 108.800 -0.073 0.000 2.785 105 G HA2 0.173 4.133 3.960 -0.000 0.000 0.686 105 G HA3 0.173 4.133 3.960 -0.000 0.000 0.686 105 G C -1.284 173.534 174.900 -0.137 0.000 1.155 105 G CA -0.300 44.754 45.100 -0.078 0.000 0.760 105 G HN 0.981 nan 8.290 nan 0.000 0.624 106 L N 2.297 123.421 121.223 -0.164 0.000 2.516 106 L HA 0.798 5.138 4.340 -0.000 0.000 0.267 106 L C -0.086 176.497 176.870 -0.479 0.000 0.957 106 L CA -0.670 53.983 54.840 -0.312 0.000 0.860 106 L CB 1.637 43.521 42.059 -0.292 0.000 1.265 106 L HN 0.992 nan 8.230 nan 0.000 0.403 107 c N 3.425 121.680 118.600 -0.575 0.000 2.486 107 c HA 0.764 5.334 4.570 -0.000 0.000 0.348 107 c C -0.808 172.792 174.090 -0.817 0.000 1.203 107 c CA -0.557 55.444 56.329 -0.546 0.000 1.911 107 c CB 1.489 43.834 42.510 -0.276 0.000 2.340 107 c HN 0.696 nan 8.230 nan 0.000 0.511 108 F N 1.402 121.295 119.950 -0.095 0.000 2.539 108 F HA 0.577 5.103 4.527 -0.000 0.000 0.318 108 F C -0.213 175.548 175.800 -0.066 0.000 1.135 108 F CA -0.589 57.359 58.000 -0.086 0.000 0.915 108 F CB 0.707 39.658 39.000 -0.081 0.000 1.176 108 F HN 0.131 nan 8.300 nan 0.000 0.440 109 L N 4.834 126.110 121.223 0.088 0.000 2.264 109 L HA 0.508 4.848 4.340 -0.000 0.000 0.289 109 L C -0.636 176.286 176.870 0.087 0.000 1.044 109 L CA -0.545 54.346 54.840 0.085 0.000 0.807 109 L CB 1.054 43.140 42.059 0.046 0.000 1.192 109 L HN 0.548 nan 8.230 nan 0.000 0.425 110 L N 2.471 123.748 121.223 0.088 0.000 2.558 110 L HA 0.964 5.304 4.340 -0.000 0.000 0.260 110 L C 0.582 177.516 176.870 0.107 0.000 1.130 110 L CA -0.355 54.514 54.840 0.049 0.000 1.049 110 L CB 1.188 43.221 42.059 -0.044 0.000 1.758 110 L HN 0.673 nan 8.230 nan 0.000 0.555 111 G N -1.440 107.428 108.800 0.112 0.000 2.347 111 G HA2 0.102 4.062 3.960 -0.000 0.000 0.341 111 G HA3 0.102 4.062 3.960 -0.000 0.000 0.341 111 G C -2.740 172.209 174.900 0.083 0.000 1.287 111 G CA -0.756 44.443 45.100 0.165 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 0.597 177.911 177.300 0.022 0.000 1.686 112 P CA 1.247 64.365 63.100 0.029 0.000 0.867 112 P CB -0.199 31.511 31.700 0.017 0.000 1.733 113 T N -4.327 110.242 114.554 0.025 0.000 2.574 113 T HA 0.319 4.669 4.350 -0.000 0.000 0.224 113 T C -0.542 174.167 174.700 0.016 0.000 0.792 113 T CA -0.650 61.462 62.100 0.021 0.000 1.317 113 T CB 0.708 69.593 68.868 0.028 0.000 1.590 113 T HN -0.097 nan 8.240 nan 0.000 0.456 114 Q N 0.691 120.501 119.800 0.016 0.000 2.243 114 Q HA 0.546 4.886 4.340 -0.000 0.000 0.252 114 Q C -0.708 175.300 176.000 0.014 0.000 0.909 114 Q CA -0.504 55.306 55.803 0.011 0.000 0.922 114 Q CB 1.609 30.352 28.738 0.008 0.000 1.215 114 Q HN 0.413 nan 8.270 nan 0.000 0.427 115 L N 3.348 124.576 121.223 0.008 0.000 2.451 115 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 115 L C -0.038 176.847 176.870 0.026 0.000 1.258 115 L CA -0.102 54.747 54.840 0.015 0.000 1.132 115 L CB -0.552 41.507 42.059 -0.000 0.000 1.361 115 L HN 0.646 nan 8.230 nan 0.000 0.438 116 T N 1.685 116.252 114.554 0.022 0.000 2.868 116 T HA 0.232 4.582 4.350 -0.000 0.000 0.292 116 T C 0.054 174.756 174.700 0.003 0.000 1.028 116 T CA -0.326 61.773 62.100 -0.001 0.000 1.059 116 T CB 0.988 69.842 68.868 -0.023 0.000 0.991 116 T HN 0.447 nan 8.240 nan 0.000 0.531 117 Q N 1.192 120.960 119.800 -0.052 0.000 2.303 117 Q HA 0.377 4.717 4.340 -0.000 0.000 0.267 117 Q C -0.682 175.181 176.000 -0.229 0.000 1.011 117 Q CA -0.474 55.250 55.803 -0.132 0.000 0.740 117 Q CB 1.947 30.635 28.738 -0.082 0.000 1.250 117 Q HN 0.318 nan 8.270 nan 0.000 0.458 118 R N 2.793 123.098 120.500 -0.325 0.000 2.415 118 R HA 0.193 4.533 4.340 -0.000 0.000 0.292 118 R C 0.011 176.013 176.300 -0.498 0.000 1.295 118 R CA -0.207 55.640 56.100 -0.421 0.000 1.137 118 R CB 1.139 31.124 30.300 -0.524 0.000 1.135 118 R HN 0.549 nan 8.270 nan 0.000 0.560 119 L N 3.407 124.412 121.223 -0.363 0.000 2.463 119 L HA 0.258 4.598 4.340 -0.000 0.000 0.219 119 L C -1.741 175.063 176.870 -0.110 0.000 1.088 119 L CA 0.656 55.342 54.840 -0.257 0.000 0.849 119 L CB 0.231 42.151 42.059 -0.232 0.000 1.012 119 L HN 0.287 nan 8.230 nan 0.000 0.468 120 P HA 0.244 nan 4.420 nan 0.000 0.247 120 P C 0.273 177.481 177.300 -0.153 0.000 1.683 120 P CA -0.030 62.951 63.100 -0.198 0.000 1.143 120 P CB 1.283 32.884 31.700 -0.164 0.000 1.577 121 V N 1.408 121.215 119.914 -0.179 0.000 2.471 121 V HA -0.277 3.843 4.120 -0.000 0.000 0.132 121 V C 0.991 177.018 176.094 -0.112 0.000 0.451 121 V CA 2.004 64.216 62.300 -0.146 0.000 1.274 121 V CB -2.708 29.041 31.823 -0.124 0.000 1.494 121 V HN 0.789 nan 8.190 nan 0.000 1.012 122 S N 2.027 117.658 115.700 -0.116 0.000 3.065 122 S HA 0.329 4.799 4.470 -0.000 0.000 0.311 122 S C 0.643 175.166 174.600 -0.127 0.000 1.204 122 S CA -0.272 57.865 58.200 -0.104 0.000 1.040 122 S CB 0.007 63.147 63.200 -0.099 0.000 1.436 122 S HN 0.840 nan 8.310 nan 0.000 0.532 123 R N 2.600 123.033 120.500 -0.113 0.000 2.614 123 R HA -0.073 4.267 4.340 -0.000 0.000 0.335 123 R C -0.495 175.702 176.300 -0.171 0.000 0.859 123 R CA 0.207 56.230 56.100 -0.128 0.000 1.123 123 R CB -0.311 29.938 30.300 -0.084 0.000 0.887 123 R HN 0.612 nan 8.270 nan 0.000 0.407 124 Q N 3.294 122.945 119.800 -0.248 0.000 2.371 124 Q HA -0.047 4.293 4.340 -0.000 0.000 0.254 124 Q C -0.349 175.435 176.000 -0.360 0.000 1.264 124 Q CA 0.646 56.265 55.803 -0.308 0.000 0.904 124 Q CB 0.297 28.812 28.738 -0.372 0.000 1.507 124 Q HN 0.580 nan 8.270 nan 0.000 0.495 125 E N 0.846 120.928 120.200 -0.197 0.000 2.422 125 E HA -0.022 4.328 4.350 -0.000 0.000 0.260 125 E C -0.004 176.557 176.600 -0.064 0.000 1.108 125 E CA -0.425 55.910 56.400 -0.108 0.000 0.943 125 E CB 0.622 30.287 29.700 -0.058 0.000 0.961 125 E HN 0.554 nan 8.360 nan 0.000 0.443 126 c N 2.221 120.859 118.600 0.063 0.000 2.705 126 c HA 0.215 4.784 4.570 -0.000 0.000 0.348 126 c C -1.268 172.859 174.090 0.061 0.000 1.386 126 c CA -1.058 55.364 56.329 0.154 0.000 2.361 126 c CB -1.295 41.335 42.510 0.200 0.000 2.486 126 c HN 0.693 nan 8.230 nan 0.000 0.728 329 E N -0.039 120.262 120.200 0.169 0.000 3.387 329 E HA 0.463 4.813 4.350 -0.000 0.000 0.200 329 E C -0.587 175.920 176.600 -0.155 0.000 1.248 329 E CA 0.224 56.691 56.400 0.113 0.000 1.240 329 E CB 0.797 30.535 29.700 0.063 0.000 2.409 329 E HN 0.415 nan 8.360 nan 0.000 0.533 330 L N 2.011 123.128 121.223 -0.178 0.000 2.613 330 L HA 0.245 4.585 4.340 -0.000 0.000 0.275 330 L C 0.048 176.769 176.870 -0.247 0.000 1.453 330 L CA 0.052 54.728 54.840 -0.273 0.000 0.725 330 L CB 1.032 42.944 42.059 -0.245 0.000 1.013 330 L HN -0.002 nan 8.230 nan 0.000 0.520 331 E N 0.550 120.583 120.200 -0.278 0.000 2.206 331 E HA 0.216 4.566 4.350 -0.000 0.000 0.195 331 E C 0.669 177.171 176.600 -0.163 0.000 0.935 331 E CA 0.898 57.120 56.400 -0.297 0.000 0.875 331 E CB 0.380 29.646 29.700 -0.724 0.000 0.841 331 E HN 0.353 nan 8.360 nan 0.000 0.477 332 M N 0.069 119.473 119.600 -0.327 0.000 3.074 332 M HA 0.493 4.973 4.480 -0.000 0.000 0.252 332 M C 0.241 176.256 176.300 -0.476 0.000 1.181 332 M CA -0.244 54.881 55.300 -0.292 0.000 0.771 332 M CB 1.367 33.820 32.600 -0.245 0.000 1.375 332 M HN 0.048 nan 8.290 nan 0.000 0.512 333 A N -0.117 122.501 122.820 -0.336 0.000 2.220 333 A HA 0.100 4.420 4.320 -0.000 0.000 0.211 333 A C 1.143 178.656 177.584 -0.119 0.000 1.176 333 A CA 0.145 52.012 52.037 -0.285 0.000 0.834 333 A CB 0.073 18.924 19.000 -0.249 0.000 0.868 333 A HN 0.729 nan 8.150 nan 0.000 0.488 334 Q N 0.470 120.218 119.800 -0.086 0.000 2.411 334 Q HA -0.232 4.108 4.340 -0.000 0.000 0.305 334 Q C 0.024 176.041 176.000 0.028 0.000 1.273 334 Q CA 0.880 56.675 55.803 -0.013 0.000 0.895 334 Q CB -1.474 27.286 28.738 0.036 0.000 1.198 334 Q HN 0.864 nan 8.270 nan 0.000 0.470 335 E N -0.545 119.647 120.200 -0.014 0.000 2.508 335 E HA 0.051 4.401 4.350 -0.000 0.000 0.266 335 E C 1.283 177.905 176.600 0.036 0.000 1.010 335 E CA 1.150 57.567 56.400 0.030 0.000 0.955 335 E CB 0.081 29.746 29.700 -0.058 0.000 0.946 335 E HN 0.497 nan 8.360 nan 0.000 0.454 336 G N 3.533 112.379 108.800 0.075 0.000 2.157 336 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.239 336 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.239 336 G C 0.359 175.284 174.900 0.042 0.000 0.982 336 G CA 0.242 45.361 45.100 0.031 0.000 0.650 336 G HN 0.646 nan 8.290 nan 0.000 0.527 337 F N 2.497 122.412 119.950 -0.058 0.000 2.202 337 F HA 0.193 4.720 4.527 -0.000 0.000 0.301 337 F C 1.401 177.124 175.800 -0.129 0.000 1.082 337 F CA 2.197 60.132 58.000 -0.108 0.000 1.313 337 F CB 0.185 39.105 39.000 -0.135 0.000 1.024 337 F HN 0.724 nan 8.300 nan 0.000 0.495 338 S N -0.469 115.225 115.700 -0.009 0.000 2.592 338 S HA 0.781 5.251 4.470 -0.000 0.000 0.275 338 S C -0.876 173.725 174.600 0.001 0.000 1.169 338 S CA -0.394 57.763 58.200 -0.072 0.000 0.958 338 S CB 1.042 64.231 63.200 -0.019 0.000 1.095 338 S HN 0.484 nan 8.310 nan 0.000 0.471 339 A N 1.853 124.661 122.820 -0.021 0.000 2.454 339 A HA 0.997 5.317 4.320 -0.000 0.000 0.302 339 A C -0.842 176.746 177.584 0.007 0.000 1.079 339 A CA -1.017 51.008 52.037 -0.021 0.000 0.731 339 A CB 1.989 20.946 19.000 -0.071 0.000 1.299 339 A HN 1.958 nan 8.150 nan 0.000 0.413 340 V N 1.644 121.553 119.914 -0.007 0.000 3.000 340 V HA 0.621 4.741 4.120 -0.000 0.000 0.300 340 V C -1.348 174.786 176.094 0.066 0.000 1.251 340 V CA -0.771 61.588 62.300 0.099 0.000 0.972 340 V CB 1.518 33.403 31.823 0.103 0.000 1.065 340 V HN 0.874 nan 8.190 nan 0.000 0.431 341 F N 3.085 123.065 119.950 0.050 0.000 2.284 341 F HA 0.796 5.323 4.527 -0.000 0.000 0.297 341 F C 0.856 176.689 175.800 0.054 0.000 1.215 341 F CA 0.766 58.800 58.000 0.056 0.000 1.120 341 F CB 1.378 40.407 39.000 0.049 0.000 1.426 341 F HN 0.651 nan 8.300 nan 0.000 0.514 342 T N -0.646 114.074 114.554 0.275 0.000 3.094 342 T HA 0.179 4.529 4.350 -0.000 0.000 0.373 342 T C -2.432 172.358 174.700 0.150 0.000 1.806 342 T CA -1.089 61.111 62.100 0.168 0.000 1.107 342 T CB 1.053 69.993 68.868 0.119 0.000 1.632 342 T HN 0.140 nan 8.240 nan 0.000 0.488 343 P HA -0.105 nan 4.420 nan 0.000 0.219 343 P C 0.087 177.445 177.300 0.096 0.000 1.151 343 P CA 1.595 64.750 63.100 0.092 0.000 0.850 343 P CB -0.115 31.626 31.700 0.068 0.000 0.784 344 D N -1.510 118.950 120.400 0.100 0.000 3.133 344 D HA 0.458 5.098 4.640 -0.000 0.000 0.288 344 D C 0.611 176.979 176.300 0.113 0.000 1.346 344 D CA -0.573 53.487 54.000 0.101 0.000 0.934 344 D CB -0.581 40.280 40.800 0.100 0.000 1.042 344 D HN 0.168 nan 8.370 nan 0.000 0.506 345 G N 0.740 109.614 108.800 0.123 0.000 2.712 345 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 345 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 345 G C -2.832 172.129 174.900 0.102 0.000 1.321 345 G CA -1.149 44.027 45.100 0.125 0.000 0.813 345 G HN 0.265 nan 8.290 nan 0.000 0.599 346 P HA 0.491 nan 4.420 nan 0.000 0.272 346 P C -0.193 177.121 177.300 0.023 0.000 1.254 346 P CA -0.403 62.614 63.100 -0.139 0.000 0.795 346 P CB 0.766 32.267 31.700 -0.332 0.000 1.022 347 V N 0.911 120.806 119.914 -0.032 0.000 2.610 347 V HA 0.190 4.310 4.120 -0.000 0.000 0.288 347 V C -0.600 175.524 176.094 0.050 0.000 1.055 347 V CA -0.363 61.967 62.300 0.050 0.000 0.902 347 V CB 1.275 33.111 31.823 0.022 0.000 1.030 347 V HN 0.273 nan 8.190 nan 0.000 0.448 348 L N 3.348 124.659 121.223 0.147 0.000 2.352 348 L HA 0.918 5.258 4.340 -0.000 0.000 0.269 348 L C 0.834 177.808 176.870 0.172 0.000 1.034 348 L CA 0.111 55.033 54.840 0.135 0.000 0.806 348 L CB 1.590 43.744 42.059 0.159 0.000 1.244 348 L HN 0.680 nan 8.230 nan 0.000 0.447 349 G N 0.322 109.214 108.800 0.154 0.000 2.416 349 G HA2 0.705 4.665 3.960 -0.000 0.000 0.324 349 G HA3 0.705 4.665 3.960 -0.000 0.000 0.324 349 G C -1.132 173.887 174.900 0.197 0.000 1.194 349 G CA -0.361 44.838 45.100 0.165 0.000 0.922 349 G HN 0.795 nan 8.290 nan 0.000 0.467 350 A N 1.259 124.213 122.820 0.223 0.000 2.295 350 A HA 0.708 5.028 4.320 -0.000 0.000 0.318 350 A C 1.127 178.763 177.584 0.086 0.000 1.134 350 A CA -0.024 52.113 52.037 0.167 0.000 0.827 350 A CB 1.594 20.754 19.000 0.266 0.000 1.136 350 A HN 1.564 nan 8.150 nan 0.000 0.493 351 V N -0.947 118.981 119.914 0.024 0.000 2.996 351 V HA 0.350 4.470 4.120 -0.000 0.000 0.235 351 V C 1.369 177.484 176.094 0.035 0.000 1.205 351 V CA 1.091 63.456 62.300 0.108 0.000 1.225 351 V CB -0.682 31.247 31.823 0.176 0.000 0.995 351 V HN 1.016 nan 8.190 nan 0.000 0.484 352 G N 1.352 109.970 108.800 -0.304 0.000 3.474 352 G HA2 0.233 4.192 3.960 -0.000 0.000 0.269 352 G HA3 0.233 4.192 3.960 -0.000 0.000 0.269 352 G C 0.274 174.684 174.900 -0.816 0.000 1.339 352 G CA 0.217 44.709 45.100 -1.013 0.000 1.258 352 G HN 0.411 nan 8.290 nan 0.000 0.560 353 S N 1.246 116.609 115.700 -0.562 0.000 2.437 353 S HA 0.431 4.901 4.470 -0.000 0.000 0.304 353 S C 0.452 174.505 174.600 -0.911 0.000 1.167 353 S CA -0.432 57.194 58.200 -0.957 0.000 1.106 353 S CB -0.159 62.494 63.200 -0.911 0.000 1.099 353 S HN 0.453 nan 8.310 nan 0.000 0.524 354 F N 0.064 119.947 119.950 -0.112 0.000 2.193 354 F HA -0.321 4.206 4.527 -0.000 0.000 0.339 354 F C 1.759 177.575 175.800 0.026 0.000 0.486 354 F CA 1.167 59.157 58.000 -0.018 0.000 0.908 354 F CB -2.089 36.916 39.000 0.008 0.000 4.085 354 F HN 0.481 nan 8.300 nan 0.000 0.143 355 T N -2.975 111.772 114.554 0.320 0.000 3.535 355 T HA 0.305 4.655 4.350 -0.000 0.000 0.238 355 T C -0.191 174.695 174.700 0.310 0.000 0.909 355 T CA 0.449 62.720 62.100 0.285 0.000 0.928 355 T CB -1.511 67.487 68.868 0.217 0.000 1.134 355 T HN 0.578 nan 8.240 nan 0.000 0.627 356 W N 0.185 121.481 121.300 -0.007 0.000 5.271 356 W HA -0.298 4.362 4.660 -0.000 0.000 0.364 356 W C 1.808 178.276 176.519 -0.085 0.000 1.342 356 W CA 0.543 57.826 57.345 -0.103 0.000 0.899 356 W CB -2.427 26.917 29.460 -0.192 0.000 2.450 356 W HN 0.542 nan 8.180 nan 0.000 1.508 357 S N -0.206 115.583 115.700 0.149 0.000 2.344 357 S HA 0.304 4.774 4.470 -0.000 0.000 0.217 357 S C 1.444 176.113 174.600 0.114 0.000 1.033 357 S CA 2.542 60.835 58.200 0.155 0.000 1.017 357 S CB -0.344 63.016 63.200 0.266 0.000 0.941 357 S HN 1.351 nan 8.310 nan 0.000 0.430 358 G N -1.731 107.108 108.800 0.064 0.000 2.408 358 G HA2 0.453 4.413 3.960 -0.000 0.000 0.682 358 G HA3 0.453 4.413 3.960 -0.000 0.000 0.682 358 G C -0.042 174.869 174.900 0.018 0.000 1.303 358 G CA -0.491 44.638 45.100 0.047 0.000 0.966 358 G HN 1.559 nan 8.290 nan 0.000 0.560 359 G N -1.712 107.065 108.800 -0.039 0.000 2.360 359 G HA2 0.822 4.782 3.960 -0.000 0.000 0.276 359 G HA3 0.822 4.782 3.960 -0.000 0.000 0.276 359 G C -0.769 173.971 174.900 -0.267 0.000 1.256 359 G CA 1.183 46.076 45.100 -0.345 0.000 0.890 359 G HN 2.734 nan 8.290 nan 0.000 0.486 360 A N -1.015 121.463 122.820 -0.569 0.000 2.512 360 A HA 0.667 4.987 4.320 -0.000 0.000 0.294 360 A C -1.623 175.809 177.584 -0.254 0.000 1.054 360 A CA -0.559 51.350 52.037 -0.213 0.000 0.756 360 A CB 0.666 19.561 19.000 -0.176 0.000 1.293 360 A HN 1.081 nan 8.150 nan 0.000 0.395 361 F N 2.403 122.391 119.950 0.062 0.000 2.404 361 F HA 0.392 4.919 4.527 -0.000 0.000 0.359 361 F C 0.531 176.133 175.800 -0.330 0.000 1.134 361 F CA -0.057 57.899 58.000 -0.075 0.000 1.160 361 F CB 1.148 40.040 39.000 -0.180 0.000 1.186 361 F HN 0.587 nan 8.300 nan 0.000 0.526 362 L N 5.265 126.373 121.223 -0.192 0.000 2.331 362 L HA 0.329 4.669 4.340 -0.000 0.000 0.278 362 L C -1.251 175.432 176.870 -0.312 0.000 1.106 362 L CA -0.424 54.321 54.840 -0.159 0.000 0.824 362 L CB 0.398 42.416 42.059 -0.068 0.000 1.142 362 L HN 0.465 nan 8.230 nan 0.000 0.443 363 Y N 5.620 125.942 120.300 0.035 0.000 2.334 363 Y HA 0.452 5.002 4.550 -0.000 0.000 0.336 363 Y C -2.108 173.806 175.900 0.024 0.000 0.960 363 Y CA -2.253 55.859 58.100 0.020 0.000 1.164 363 Y CB 0.912 39.367 38.460 -0.009 0.000 1.155 363 Y HN 0.556 nan 8.280 nan 0.000 0.478 364 P HA 0.116 nan 4.420 nan 0.000 0.318 364 P C -2.431 174.933 177.300 0.108 0.000 1.309 364 P CA -1.297 61.870 63.100 0.113 0.000 0.736 364 P CB -0.010 31.739 31.700 0.082 0.000 1.440 365 P HA 0.063 nan 4.420 nan 0.000 0.247 365 P C -0.077 177.255 177.300 0.054 0.000 1.756 365 P CA 0.268 63.408 63.100 0.066 0.000 1.117 365 P CB -0.733 31.002 31.700 0.059 0.000 1.869 366 N N 0.087 118.820 118.700 0.054 0.000 2.961 366 N HA -0.169 4.571 4.740 -0.000 0.000 0.223 366 N C 0.205 175.740 175.510 0.042 0.000 0.866 366 N CA 0.891 53.965 53.050 0.040 0.000 1.030 366 N CB -1.162 37.341 38.487 0.028 0.000 1.037 366 N HN 0.448 nan 8.380 nan 0.000 0.608 367 M N 1.834 121.463 119.600 0.048 0.000 2.245 367 M HA 0.126 4.606 4.480 -0.000 0.000 0.330 367 M C 0.625 176.952 176.300 0.045 0.000 1.098 367 M CA 0.016 55.340 55.300 0.039 0.000 1.172 367 M CB 0.676 33.300 32.600 0.039 0.000 1.467 367 M HN 0.278 nan 8.290 nan 0.000 0.454 368 S N 4.832 120.546 115.700 0.024 0.000 2.552 368 S HA 0.314 4.784 4.470 -0.000 0.000 0.289 368 S C -2.387 172.215 174.600 0.003 0.000 1.304 368 S CA -1.141 57.070 58.200 0.019 0.000 1.063 368 S CB -0.361 62.837 63.200 -0.004 0.000 0.848 368 S HN 0.602 nan 8.310 nan 0.000 0.499 369 P HA 0.253 nan 4.420 nan 0.000 0.274 369 P C 0.285 177.516 177.300 -0.115 0.000 1.246 369 P CA -0.350 62.694 63.100 -0.094 0.000 0.795 369 P CB 0.608 32.145 31.700 -0.273 0.000 1.006 370 T N -2.004 112.449 114.554 -0.167 0.000 2.844 370 T HA 0.757 5.107 4.350 -0.000 0.000 0.274 370 T C -1.013 173.596 174.700 -0.152 0.000 0.991 370 T CA -0.605 61.372 62.100 -0.205 0.000 0.983 370 T CB 1.098 69.740 68.868 -0.376 0.000 1.310 370 T HN 0.391 nan 8.240 nan 0.000 0.596 371 F N 0.133 119.817 119.950 -0.443 0.000 2.688 371 F HA 0.606 5.133 4.527 -0.000 0.000 0.308 371 F C -2.101 173.405 175.800 -0.490 0.000 1.117 371 F CA -1.477 56.162 58.000 -0.602 0.000 0.976 371 F CB 1.518 39.992 39.000 -0.877 0.000 1.291 371 F HN 0.809 nan 8.300 nan 0.000 0.439 372 I N 3.610 123.294 120.570 -1.476 0.000 2.493 372 I HA 0.520 4.690 4.170 -0.000 0.000 0.279 372 I C -1.137 174.180 176.117 -1.333 0.000 1.045 372 I CA -0.616 60.014 61.300 -1.116 0.000 1.106 372 I CB 1.209 38.711 38.000 -0.829 0.000 1.216 372 I HN 0.610 nan 8.210 nan 0.000 0.459 373 N N 6.049 124.246 118.700 -0.837 0.000 2.669 373 N HA 0.473 5.212 4.740 -0.000 0.000 0.306 373 N C 0.103 175.491 175.510 -0.204 0.000 1.352 373 N CA -0.606 52.239 53.050 -0.341 0.000 0.886 373 N CB 0.370 39.028 38.487 0.286 0.000 1.107 373 N HN 0.530 nan 8.380 nan 0.000 0.534 374 M N 0.249 119.852 119.600 0.005 0.000 2.778 374 M HA 0.227 4.707 4.480 -0.000 0.000 0.359 374 M C -0.253 176.069 176.300 0.036 0.000 1.216 374 M CA -0.065 55.272 55.300 0.063 0.000 0.935 374 M CB -1.358 31.321 32.600 0.132 0.000 1.330 374 M HN 0.922 nan 8.290 nan 0.000 0.516 375 S N 0.229 115.923 115.700 -0.010 0.000 3.538 375 S HA -0.293 4.177 4.470 -0.000 0.000 0.640 375 S C 0.497 175.058 174.600 -0.065 0.000 2.388 375 S CA 1.231 59.403 58.200 -0.046 0.000 2.560 375 S CB -0.249 62.938 63.200 -0.021 0.000 0.328 375 S HN 0.667 nan 8.310 nan 0.000 1.791 376 Q N -0.052 119.694 119.800 -0.090 0.000 2.396 376 Q HA 0.153 4.493 4.340 -0.000 0.000 0.220 376 Q C 1.985 177.966 176.000 -0.032 0.000 0.900 376 Q CA 0.493 56.245 55.803 -0.084 0.000 0.925 376 Q CB -0.090 28.572 28.738 -0.127 0.000 1.065 376 Q HN 0.788 nan 8.270 nan 0.000 0.535 377 E N 0.906 121.092 120.200 -0.023 0.000 2.333 377 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 377 E C 0.156 176.765 176.600 0.015 0.000 1.010 377 E CA 0.423 56.821 56.400 -0.003 0.000 0.841 377 E CB -0.114 29.587 29.700 0.002 0.000 0.757 377 E HN 0.142 nan 8.360 nan 0.000 0.508 378 N N 0.627 119.341 118.700 0.023 0.000 2.605 378 N HA -0.035 4.705 4.740 -0.000 0.000 0.258 378 N C 0.941 176.481 175.510 0.050 0.000 1.156 378 N CA -0.107 52.971 53.050 0.048 0.000 1.008 378 N CB 0.802 39.329 38.487 0.066 0.000 1.354 378 N HN -0.047 nan 8.380 nan 0.000 0.509 379 V N -0.012 119.927 119.914 0.041 0.000 2.332 379 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 379 V C 1.030 177.145 176.094 0.035 0.000 1.055 379 V CA 1.624 63.943 62.300 0.032 0.000 1.038 379 V CB -0.926 30.912 31.823 0.024 0.000 0.651 379 V HN 0.600 nan 8.190 nan 0.000 0.450 380 D N -0.234 120.196 120.400 0.050 0.000 2.315 380 D HA 0.134 4.774 4.640 -0.000 0.000 0.275 380 D C 1.053 177.385 176.300 0.053 0.000 1.218 380 D CA -0.054 53.958 54.000 0.021 0.000 1.040 380 D CB -0.097 40.723 40.800 0.033 0.000 1.123 380 D HN 0.308 nan 8.370 nan 0.000 0.541 381 M N -2.725 116.892 119.600 0.028 0.000 2.872 381 M HA -0.219 4.261 4.480 -0.000 0.000 0.200 381 M C -1.049 175.273 176.300 0.036 0.000 0.582 381 M CA 0.483 55.855 55.300 0.120 0.000 0.706 381 M CB -0.914 31.812 32.600 0.209 0.000 2.560 381 M HN 0.381 nan 8.290 nan 0.000 0.476 382 R N 1.898 122.375 120.500 -0.038 0.000 2.316 382 R HA 0.199 4.539 4.340 -0.000 0.000 0.314 382 R C -0.080 176.144 176.300 -0.126 0.000 1.069 382 R CA 0.121 56.205 56.100 -0.027 0.000 0.959 382 R CB 0.259 30.547 30.300 -0.021 0.000 0.987 382 R HN 0.343 nan 8.270 nan 0.000 0.446 383 D N 1.860 122.197 120.400 -0.105 0.000 3.133 383 D HA -0.119 4.521 4.640 -0.000 0.000 0.239 383 D C 0.124 176.174 176.300 -0.416 0.000 1.136 383 D CA 1.483 55.293 54.000 -0.316 0.000 0.898 383 D CB -0.884 39.694 40.800 -0.368 0.000 0.959 383 D HN 0.724 nan 8.370 nan 0.000 0.415 384 S N -0.731 114.784 115.700 -0.309 0.000 2.728 384 S HA 0.097 4.567 4.470 -0.000 0.000 0.257 384 S C 0.631 175.197 174.600 -0.057 0.000 1.060 384 S CA -0.304 57.784 58.200 -0.187 0.000 1.126 384 S CB 0.234 63.439 63.200 0.009 0.000 1.099 384 S HN 0.287 nan 8.310 nan 0.000 0.617 385 Y N 0.639 120.981 120.300 0.069 0.000 3.589 385 Y HA -0.163 4.387 4.550 -0.000 0.000 0.218 385 Y C 0.244 176.210 175.900 0.109 0.000 1.234 385 Y CA -0.100 58.060 58.100 0.100 0.000 1.576 385 Y CB -2.516 36.007 38.460 0.105 0.000 1.487 385 Y HN 0.520 nan 8.280 nan 0.000 0.616 386 L N 1.255 122.592 121.223 0.191 0.000 2.745 386 L HA 0.367 4.707 4.340 -0.000 0.000 0.273 386 L C 1.205 178.169 176.870 0.157 0.000 1.156 386 L CA 1.687 56.624 54.840 0.160 0.000 0.982 386 L CB -0.060 42.078 42.059 0.131 0.000 1.295 386 L HN 0.656 nan 8.230 nan 0.000 0.483 387 G N 3.199 112.109 108.800 0.184 0.000 2.159 387 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.170 387 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.170 387 G C 0.509 175.564 174.900 0.259 0.000 1.007 387 G CA 0.215 45.419 45.100 0.172 0.000 0.672 387 G HN 0.729 nan 8.290 nan 0.000 0.507 388 Y N 2.308 122.720 120.300 0.187 0.000 2.165 388 Y HA 0.122 4.672 4.550 -0.000 0.000 0.286 388 Y C 1.668 177.807 175.900 0.397 0.000 1.155 388 Y CA 2.414 60.691 58.100 0.295 0.000 1.164 388 Y CB 0.159 38.749 38.460 0.217 0.000 0.978 388 Y HN 0.666 nan 8.280 nan 0.000 0.513 389 S N -0.682 115.259 115.700 0.401 0.000 2.548 389 S HA 0.676 5.146 4.470 -0.000 0.000 0.286 389 S C -0.577 174.108 174.600 0.142 0.000 1.098 389 S CA -0.200 58.137 58.200 0.230 0.000 0.930 389 S CB 2.178 65.516 63.200 0.232 0.000 1.070 389 S HN 0.325 nan 8.310 nan 0.000 0.480 390 T N -1.104 113.503 114.554 0.089 0.000 2.912 390 T HA 0.811 5.161 4.350 -0.000 0.000 0.299 390 T C -1.128 173.601 174.700 0.049 0.000 1.052 390 T CA -0.494 61.645 62.100 0.066 0.000 0.996 390 T CB 1.864 70.769 68.868 0.060 0.000 1.070 390 T HN 0.780 nan 8.240 nan 0.000 0.465 391 E N 1.037 121.262 120.200 0.041 0.000 2.412 391 E HA 0.639 4.989 4.350 -0.000 0.000 0.279 391 E C -1.710 174.912 176.600 0.036 0.000 0.984 391 E CA -0.862 55.562 56.400 0.040 0.000 0.788 391 E CB 1.822 31.539 29.700 0.027 0.000 1.277 391 E HN 0.677 nan 8.360 nan 0.000 0.455 392 L N 1.929 123.182 121.223 0.050 0.000 2.469 392 L HA 0.843 5.183 4.340 -0.000 0.000 0.253 392 L C -0.334 176.557 176.870 0.035 0.000 1.143 392 L CA 0.424 55.294 54.840 0.050 0.000 0.804 392 L CB 1.425 43.529 42.059 0.075 0.000 1.214 392 L HN 0.675 nan 8.230 nan 0.000 0.476 393 A N 3.103 125.946 122.820 0.037 0.000 3.214 393 A HA 0.278 4.598 4.320 -0.000 0.000 0.203 393 A C -0.400 177.233 177.584 0.083 0.000 0.960 393 A CA -0.466 51.593 52.037 0.036 0.000 1.113 393 A CB -0.672 18.316 19.000 -0.020 0.000 1.280 393 A HN 0.679 nan 8.150 nan 0.000 0.573 394 L N 0.256 121.539 121.223 0.100 0.000 2.581 394 L HA 0.218 4.558 4.340 -0.000 0.000 0.299 394 L C -0.068 176.942 176.870 0.234 0.000 1.261 394 L CA 0.911 55.830 54.840 0.132 0.000 0.866 394 L CB 0.332 42.446 42.059 0.093 0.000 1.113 394 L HN 0.635 nan 8.230 nan 0.000 0.514 395 W N 4.152 125.454 121.300 0.003 0.000 3.074 395 W HA 0.269 4.929 4.660 -0.000 0.000 0.332 395 W C 0.591 177.111 176.519 0.003 0.000 1.253 395 W CA -0.917 56.430 57.345 0.003 0.000 1.180 395 W CB 1.098 30.559 29.460 0.002 0.000 1.445 395 W HN 0.577 nan 8.180 nan 0.000 0.573 396 K N 0.922 120.745 120.400 -0.963 0.000 2.228 396 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 396 K C 1.038 177.285 176.600 -0.589 0.000 1.045 396 K CA 2.128 57.915 56.287 -0.832 0.000 0.931 396 K CB -0.448 31.401 32.500 -1.085 0.000 0.727 396 K HN 0.596 nan 8.250 nan 0.000 0.458 397 G N 0.110 108.612 108.800 -0.496 0.000 3.329 397 G HA2 0.258 4.218 3.960 -0.000 0.000 0.180 397 G HA3 0.258 4.218 3.960 -0.000 0.000 0.180 397 G C -0.108 174.870 174.900 0.130 0.000 1.640 397 G CA 0.089 45.186 45.100 -0.005 0.000 1.018 397 G HN 0.160 nan 8.290 nan 0.000 0.581 398 V N -1.455 118.591 119.914 0.221 0.000 3.036 398 V HA 0.577 4.697 4.120 -0.000 0.000 0.308 398 V C -0.014 176.167 176.094 0.145 0.000 1.070 398 V CA -0.899 61.477 62.300 0.126 0.000 1.056 398 V CB 1.016 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 1.177 121.025 119.800 0.081 0.000 2.584 399 Q HA 0.586 4.926 4.340 -0.000 0.000 0.218 399 Q C -0.251 175.768 176.000 0.033 0.000 1.079 399 Q CA 0.192 56.038 55.803 0.073 0.000 1.008 399 Q CB 0.727 29.500 28.738 0.058 0.000 1.267 399 Q HN 0.965 nan 8.270 nan 0.000 0.586 400 S N -0.099 115.610 115.700 0.015 0.000 2.566 400 S HA 0.476 4.946 4.470 -0.000 0.000 0.273 400 S C -1.109 173.474 174.600 -0.028 0.000 1.157 400 S CA -0.737 57.438 58.200 -0.042 0.000 0.938 400 S CB 0.730 63.869 63.200 -0.102 0.000 1.087 400 S HN 0.373 nan 8.310 nan 0.000 0.474 401 L N 2.190 123.405 121.223 -0.013 0.000 2.400 401 L HA 0.811 5.151 4.340 -0.000 0.000 0.264 401 L C -0.757 176.117 176.870 0.007 0.000 1.061 401 L CA -0.865 53.986 54.840 0.018 0.000 0.799 401 L CB 1.254 43.337 42.059 0.040 0.000 1.240 401 L HN 0.358 nan 8.230 nan 0.000 0.461 402 V N 1.984 121.911 119.914 0.022 0.000 2.851 402 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 402 V C -0.612 175.511 176.094 0.049 0.000 1.129 402 V CA -0.521 61.773 62.300 -0.011 0.000 0.932 402 V CB 2.219 33.994 31.823 -0.080 0.000 1.024 402 V HN 0.472 nan 8.190 nan 0.000 0.426 403 L N 2.829 124.097 121.223 0.076 0.000 2.354 403 L HA 0.894 5.234 4.340 -0.000 0.000 0.269 403 L C 0.491 177.401 176.870 0.067 0.000 1.005 403 L CA -0.704 54.199 54.840 0.105 0.000 0.819 403 L CB 2.191 44.352 42.059 0.171 0.000 1.311 403 L HN 0.772 nan 8.230 nan 0.000 0.423 404 G N 0.824 109.685 108.800 0.100 0.000 2.335 404 G HA2 0.609 4.569 3.960 -0.000 0.000 0.316 404 G HA3 0.609 4.569 3.960 -0.000 0.000 0.316 404 G C -0.599 174.362 174.900 0.101 0.000 1.129 404 G CA -0.344 44.797 45.100 0.068 0.000 0.899 404 G HN 0.711 nan 8.290 nan 0.000 0.448 405 A N 4.721 127.564 122.820 0.038 0.000 2.786 405 A HA 0.662 4.982 4.320 -0.000 0.000 0.346 405 A C -1.513 176.041 177.584 -0.050 0.000 1.265 405 A CA -1.378 50.687 52.037 0.047 0.000 0.858 405 A CB 1.327 20.375 19.000 0.080 0.000 1.118 405 A HN 0.401 nan 8.150 nan 0.000 0.482 406 P HA -0.144 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 1.309 64.036 63.100 -0.620 0.000 0.813 406 P CB 0.142 30.974 31.700 -1.446 0.000 0.778 407 R N -2.337 118.039 120.500 -0.206 0.000 2.772 407 R HA 0.194 4.534 4.340 -0.000 0.000 0.358 407 R C -0.577 175.632 176.300 -0.151 0.000 1.143 407 R CA -0.582 55.410 56.100 -0.179 0.000 1.153 407 R CB -0.231 29.934 30.300 -0.225 0.000 1.329 407 R HN 0.121 nan 8.270 nan 0.000 0.615 408 Y N 2.288 122.505 120.300 -0.137 0.000 2.531 408 Y HA -0.034 4.516 4.550 -0.000 0.000 0.347 408 Y C 0.496 176.348 175.900 -0.081 0.000 1.024 408 Y CA 0.444 58.484 58.100 -0.101 0.000 1.306 408 Y CB 0.214 38.651 38.460 -0.037 0.000 1.149 408 Y HN 0.392 nan 8.280 nan 0.000 0.527 409 Q N 5.749 125.210 119.800 -0.565 0.000 2.494 409 Q HA -0.351 3.989 4.340 -0.000 0.000 0.266 409 Q C 0.085 176.080 176.000 -0.009 0.000 1.053 409 Q CA 1.144 56.755 55.803 -0.321 0.000 1.029 409 Q CB -1.597 26.944 28.738 -0.329 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 -0.000 0.000 0.193 410 H C 1.388 176.719 175.328 0.004 0.000 1.013 410 H CA 1.839 57.861 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 -2.375 112.244 114.554 0.109 0.000 3.053 411 T HA 0.476 4.826 4.350 -0.000 0.000 0.236 411 T C 1.204 175.968 174.700 0.106 0.000 0.996 411 T CA 0.934 63.104 62.100 0.116 0.000 1.185 411 T CB 1.459 70.393 68.868 0.110 0.000 0.892 411 T HN 1.073 nan 8.240 nan 0.000 0.432 412 G N 1.179 110.062 108.800 0.137 0.000 2.952 412 G HA2 0.293 4.253 3.960 -0.000 0.000 0.431 412 G HA3 0.293 4.253 3.960 -0.000 0.000 0.431 412 G C -1.121 173.942 174.900 0.272 0.000 1.325 412 G CA -0.514 44.673 45.100 0.144 0.000 1.146 412 G HN 0.625 nan 8.290 nan 0.000 0.581 413 K N 1.076 121.594 120.400 0.196 0.000 2.340 413 K HA 0.915 5.235 4.320 -0.000 0.000 0.244 413 K C -0.132 176.534 176.600 0.110 0.000 0.973 413 K CA -0.399 55.969 56.287 0.135 0.000 0.828 413 K CB 2.157 34.492 32.500 -0.273 0.000 1.226 413 K HN 1.450 nan 8.250 nan 0.000 0.437 414 A N 2.380 125.289 122.820 0.148 0.000 2.343 414 A HA 0.616 4.936 4.320 -0.000 0.000 0.316 414 A C -1.373 176.158 177.584 -0.088 0.000 1.104 414 A CA -0.694 51.359 52.037 0.026 0.000 0.768 414 A CB 1.389 20.412 19.000 0.039 0.000 1.213 414 A HN 0.380 nan 8.150 nan 0.000 0.456 415 V N 3.478 123.268 119.914 -0.207 0.000 2.604 415 V HA 0.490 4.610 4.120 -0.000 0.000 0.305 415 V C -0.355 175.358 176.094 -0.635 0.000 1.043 415 V CA -0.325 61.702 62.300 -0.455 0.000 0.888 415 V CB 1.648 33.175 31.823 -0.495 0.000 0.995 415 V HN 0.771 nan 8.190 nan 0.000 0.429 416 I N 3.979 124.037 120.570 -0.853 0.000 2.441 416 I HA 0.546 4.716 4.170 -0.000 0.000 0.295 416 I C -1.018 174.544 176.117 -0.925 0.000 0.994 416 I CA -0.242 60.592 61.300 -0.777 0.000 1.144 416 I CB 1.600 39.093 38.000 -0.844 0.000 1.314 416 I HN 0.414 nan 8.210 nan 0.000 0.445 417 F N 2.661 122.402 119.950 -0.348 0.000 2.508 417 F HA 0.523 5.050 4.527 -0.000 0.000 0.325 417 F C 0.510 176.103 175.800 -0.344 0.000 1.090 417 F CA -0.667 57.131 58.000 -0.337 0.000 0.945 417 F CB 2.186 41.045 39.000 -0.234 0.000 1.156 417 F HN 0.279 nan 8.300 nan 0.000 0.463 418 T N 1.057 115.471 114.554 -0.233 0.000 2.940 418 T HA 0.388 4.738 4.350 -0.000 0.000 0.288 418 T C -0.799 173.759 174.700 -0.235 0.000 1.033 418 T CA -0.519 61.424 62.100 -0.261 0.000 1.033 418 T CB 1.177 69.802 68.868 -0.406 0.000 1.079 418 T HN 0.670 nan 8.240 nan 0.000 0.496 419 Q N 2.823 122.433 119.800 -0.316 0.000 2.851 419 Q HA 0.360 4.700 4.340 -0.000 0.000 0.331 419 Q C -0.503 175.021 176.000 -0.793 0.000 0.979 419 Q CA -0.492 54.854 55.803 -0.762 0.000 0.955 419 Q CB 1.219 29.529 28.738 -0.713 0.000 1.298 419 Q HN 0.462 nan 8.270 nan 0.000 0.432 420 V N 1.060 120.678 119.914 -0.493 0.000 2.963 420 V HA -0.026 4.094 4.120 -0.000 0.000 0.306 420 V C 0.923 176.719 176.094 -0.497 0.000 1.077 420 V CA -0.003 62.120 62.300 -0.295 0.000 1.124 420 V CB 1.568 33.397 31.823 0.009 0.000 0.987 420 V HN 0.599 nan 8.190 nan 0.000 0.487 421 S N 4.629 120.161 115.700 -0.281 0.000 2.811 421 S HA 0.018 4.488 4.470 -0.000 0.000 0.325 421 S C 0.872 175.439 174.600 -0.055 0.000 1.224 421 S CA 0.112 58.198 58.200 -0.189 0.000 1.125 421 S CB -0.881 62.285 63.200 -0.056 0.000 0.867 421 S HN 0.773 nan 8.310 nan 0.000 0.512 422 R N 2.713 123.290 120.500 0.130 0.000 3.336 422 R HA -0.158 4.182 4.340 -0.000 0.000 0.260 422 R C 0.194 176.676 176.300 0.303 0.000 1.032 422 R CA 0.809 57.144 56.100 0.391 0.000 0.693 422 R CB -1.537 28.890 30.300 0.211 0.000 1.134 422 R HN 0.720 nan 8.270 nan 0.000 0.433 423 Q N -1.452 118.554 119.800 0.344 0.000 1.958 423 Q HA 0.051 4.391 4.340 -0.000 0.000 0.154 423 Q C 0.262 176.506 176.000 0.407 0.000 0.549 423 Q CA 0.269 56.227 55.803 0.260 0.000 0.824 423 Q CB 0.161 28.964 28.738 0.108 0.000 1.031 423 Q HN 0.451 nan 8.270 nan 0.000 0.312 424 W N 2.870 124.170 121.300 -0.001 0.000 5.563 424 W HA -0.226 4.434 4.660 -0.000 0.000 0.396 424 W C 0.097 176.577 176.519 -0.065 0.000 1.519 424 W CA 0.541 57.852 57.345 -0.055 0.000 0.953 424 W CB -1.345 28.060 29.460 -0.092 0.000 2.691 424 W HN 0.188 nan 8.180 nan 0.000 1.444 425 R N 0.027 120.561 120.500 0.056 0.000 2.603 425 R HA 0.639 4.979 4.340 -0.000 0.000 0.231 425 R C 0.632 176.886 176.300 -0.076 0.000 1.263 425 R CA -1.079 55.030 56.100 0.015 0.000 1.102 425 R CB 0.652 30.962 30.300 0.018 0.000 1.527 425 R HN 0.081 nan 8.270 nan 0.000 0.554 426 M N 1.359 120.883 119.600 -0.127 0.000 2.233 426 M HA 0.132 4.612 4.480 -0.000 0.000 0.355 426 M C 0.147 176.058 176.300 -0.648 0.000 1.191 426 M CA 0.124 55.229 55.300 -0.325 0.000 1.101 426 M CB 1.071 33.506 32.600 -0.275 0.000 1.592 426 M HN 0.416 nan 8.290 nan 0.000 0.461 427 K N 3.237 123.134 120.400 -0.838 0.000 1.995 427 K HA 0.325 4.645 4.320 -0.000 0.000 0.207 427 K C 0.418 176.672 176.600 -0.578 0.000 1.041 427 K CA 0.990 56.663 56.287 -1.024 0.000 0.942 427 K CB 0.076 32.009 32.500 -0.946 0.000 0.731 427 K HN 0.790 nan 8.250 nan 0.000 0.439 428 A N 0.665 123.138 122.820 -0.579 0.000 2.483 428 A HA 0.461 4.781 4.320 -0.000 0.000 0.306 428 A C -1.754 175.570 177.584 -0.432 0.000 1.137 428 A CA -0.816 51.001 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 -1.646 118.455 120.200 -0.164 0.000 2.422 429 E HA 0.577 4.927 4.350 -0.000 0.000 0.280 429 E C -1.432 175.261 176.600 0.154 0.000 1.091 429 E CA -0.737 55.602 56.400 -0.103 0.000 0.849 429 E CB 1.516 31.086 29.700 -0.217 0.000 1.353 429 E HN 1.866 nan 8.360 nan 0.000 0.449 430 V N -1.701 118.307 119.914 0.157 0.000 2.711 430 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 430 V C 0.188 176.273 176.094 -0.014 0.000 1.097 430 V CA -0.234 62.133 62.300 0.111 0.000 0.906 430 V CB 0.768 32.697 31.823 0.177 0.000 1.015 430 V HN 0.976 nan 8.190 nan 0.000 0.427 431 T N 2.376 116.865 114.554 -0.109 0.000 2.680 431 T HA 0.542 4.892 4.350 -0.000 0.000 0.314 431 T C 0.864 175.398 174.700 -0.276 0.000 1.045 431 T CA 0.401 62.420 62.100 -0.136 0.000 1.025 431 T CB 0.646 69.477 68.868 -0.063 0.000 1.000 431 T HN 1.696 nan 8.240 nan 0.000 0.535 432 G N -1.147 107.532 108.800 -0.203 0.000 2.588 432 G HA2 0.412 4.372 3.960 -0.000 0.000 0.281 432 G HA3 0.412 4.372 3.960 -0.000 0.000 0.281 432 G C 0.789 175.455 174.900 -0.390 0.000 1.236 432 G CA 0.016 44.874 45.100 -0.403 0.000 0.969 432 G HN 0.866 nan 8.290 nan 0.000 0.504 433 T N -2.064 112.228 114.554 -0.436 0.000 3.039 433 T HA 0.175 4.525 4.350 -0.000 0.000 0.250 433 T C 0.752 175.393 174.700 -0.099 0.000 1.052 433 T CA 1.001 62.914 62.100 -0.310 0.000 1.125 433 T CB -0.239 68.353 68.868 -0.460 0.000 0.908 433 T HN 0.569 nan 8.240 nan 0.000 0.473 434 Q N 0.182 119.966 119.800 -0.026 0.000 2.416 434 Q HA 0.458 4.798 4.340 -0.000 0.000 0.281 434 Q C -1.435 174.633 176.000 0.114 0.000 1.067 434 Q CA -0.867 55.000 55.803 0.107 0.000 0.809 434 Q CB 2.039 30.963 28.738 0.311 0.000 1.418 434 Q HN 0.416 nan 8.270 nan 0.000 0.411 435 I N 2.591 123.220 120.570 0.098 0.000 2.533 435 I HA 0.256 4.426 4.170 -0.000 0.000 0.284 435 I C 0.974 177.184 176.117 0.156 0.000 1.109 435 I CA 1.947 63.313 61.300 0.110 0.000 1.412 435 I CB 0.123 38.168 38.000 0.075 0.000 1.396 435 I HN 1.035 nan 8.210 nan 0.000 0.543 436 G N 4.116 113.025 108.800 0.181 0.000 2.234 436 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.260 436 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.260 436 G C 1.079 176.176 174.900 0.329 0.000 0.987 436 G CA 0.803 46.042 45.100 0.232 0.000 0.625 436 G HN 0.926 nan 8.290 nan 0.000 0.532 437 S N -1.012 114.883 115.700 0.326 0.000 2.407 437 S HA -0.189 4.281 4.470 -0.000 0.000 0.235 437 S C 1.248 176.103 174.600 0.426 0.000 1.036 437 S CA 1.877 60.322 58.200 0.407 0.000 1.013 437 S CB -0.330 63.045 63.200 0.292 0.000 0.820 437 S HN 1.887 nan 8.310 nan 0.000 0.476 438 Y N -0.616 119.799 120.300 0.192 0.000 3.457 438 Y HA -0.211 4.339 4.550 -0.000 0.000 0.215 438 Y C -0.184 175.769 175.900 0.089 0.000 1.435 438 Y CA -0.015 58.166 58.100 0.134 0.000 1.569 438 Y CB -2.056 36.504 38.460 0.167 0.000 1.518 438 Y HN 0.477 nan 8.280 nan 0.000 0.580 439 F N 1.690 121.644 119.950 0.008 0.000 2.490 439 F HA 0.458 4.985 4.527 -0.000 0.000 0.357 439 F C 1.044 176.813 175.800 -0.051 0.000 1.166 439 F CA 1.493 59.470 58.000 -0.038 0.000 1.116 439 F CB 0.305 39.251 39.000 -0.090 0.000 1.171 439 F HN 0.345 nan 8.300 nan 0.000 0.576 440 G N 3.182 111.735 108.800 -0.410 0.000 3.272 440 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.219 440 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.219 440 G C 0.981 175.817 174.900 -0.107 0.000 0.952 440 G CA 0.057 44.981 45.100 -0.293 0.000 0.833 440 G HN 0.979 nan 8.290 nan 0.000 0.608 441 A N 0.791 123.613 122.820 0.004 0.000 1.848 441 A HA 0.315 4.635 4.320 -0.000 0.000 0.217 441 A C 1.578 179.232 177.584 0.117 0.000 1.220 441 A CA 2.362 54.487 52.037 0.147 0.000 0.645 441 A CB -0.659 18.431 19.000 0.150 0.000 0.842 441 A HN 1.042 nan 8.150 nan 0.000 0.451 442 S N -1.452 114.244 115.700 -0.006 0.000 2.549 442 S HA 0.699 5.169 4.470 -0.000 0.000 0.297 442 S C -0.987 173.572 174.600 -0.069 0.000 1.115 442 S CA -0.391 57.798 58.200 -0.018 0.000 1.059 442 S CB 1.456 64.617 63.200 -0.065 0.000 1.046 442 S HN 0.320 nan 8.310 nan 0.000 0.506 443 L N 1.530 122.732 121.223 -0.035 0.000 2.455 443 L HA 0.603 4.942 4.340 -0.000 0.000 0.264 443 L C -1.128 175.729 176.870 -0.022 0.000 0.968 443 L CA -0.269 54.544 54.840 -0.044 0.000 0.827 443 L CB 2.078 44.118 42.059 -0.032 0.000 1.317 443 L HN 0.827 nan 8.230 nan 0.000 0.407 444 C N 2.247 121.532 119.300 -0.024 0.000 2.522 444 C HA 0.656 5.116 4.460 -0.000 0.000 0.344 444 C C -0.031 174.962 174.990 0.005 0.000 1.104 444 C CA -0.703 58.311 59.018 -0.007 0.000 1.317 444 C CB 0.453 28.182 27.740 -0.018 0.000 1.896 444 C HN 0.864 nan 8.230 nan 0.000 0.443 445 S N 4.847 120.558 115.700 0.018 0.000 2.455 445 S HA 0.566 5.036 4.470 -0.000 0.000 0.278 445 S C -0.306 174.315 174.600 0.035 0.000 1.216 445 S CA -0.414 57.804 58.200 0.029 0.000 1.055 445 S CB 1.161 64.381 63.200 0.033 0.000 0.939 445 S HN 1.056 nan 8.310 nan 0.000 0.494 446 V N 2.019 121.955 119.914 0.037 0.000 3.046 446 V HA 0.545 4.665 4.120 -0.000 0.000 0.316 446 V C -1.215 174.911 176.094 0.053 0.000 1.104 446 V CA -0.886 61.439 62.300 0.042 0.000 1.006 446 V CB 2.182 34.026 31.823 0.035 0.000 1.058 446 V HN 1.011 nan 8.190 nan 0.000 0.440 447 D N 3.352 123.786 120.400 0.057 0.000 2.458 447 D HA 0.145 4.785 4.640 -0.000 0.000 0.258 447 D C 0.839 177.181 176.300 0.069 0.000 1.134 447 D CA 0.022 54.061 54.000 0.064 0.000 0.915 447 D CB 1.532 42.368 40.800 0.060 0.000 1.028 447 D HN 0.344 nan 8.370 nan 0.000 0.508 448 V N 3.582 123.540 119.914 0.072 0.000 2.363 448 V HA -0.293 3.827 4.120 -0.000 0.000 0.254 448 V C 0.847 176.989 176.094 0.081 0.000 1.074 448 V CA 2.865 65.213 62.300 0.080 0.000 1.069 448 V CB -0.056 31.815 31.823 0.079 0.000 0.659 448 V HN 0.678 nan 8.190 nan 0.000 0.455 449 D N -1.750 118.694 120.400 0.073 0.000 2.540 449 D HA 0.263 4.903 4.640 -0.000 0.000 0.229 449 D C 0.616 176.952 176.300 0.061 0.000 1.258 449 D CA 0.471 54.512 54.000 0.068 0.000 1.158 449 D CB 0.560 41.399 40.800 0.064 0.000 1.178 449 D HN 0.134 nan 8.370 nan 0.000 0.541 450 S N -1.118 114.613 115.700 0.052 0.000 3.101 450 S HA 0.103 4.573 4.470 -0.000 0.000 0.252 450 S C -0.097 174.522 174.600 0.032 0.000 0.920 450 S CA -0.153 58.072 58.200 0.042 0.000 1.158 450 S CB 0.061 63.284 63.200 0.040 0.000 1.125 450 S HN 0.525 nan 8.310 nan 0.000 0.608 451 D N 1.476 121.896 120.400 0.035 0.000 2.378 451 D HA 0.134 4.774 4.640 -0.000 0.000 0.227 451 D C 1.531 177.837 176.300 0.010 0.000 1.012 451 D CA 1.081 55.093 54.000 0.020 0.000 0.905 451 D CB -0.519 40.296 40.800 0.025 0.000 0.895 451 D HN 0.469 nan 8.370 nan 0.000 0.532 452 G N -0.538 108.277 108.800 0.024 0.000 2.253 452 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 452 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 452 G C 0.302 175.222 174.900 0.034 0.000 0.998 452 G CA 0.313 45.424 45.100 0.020 0.000 0.621 452 G HN 0.441 nan 8.290 nan 0.000 0.524 453 S N 1.945 117.674 115.700 0.049 0.000 2.410 453 S HA 0.536 5.006 4.470 -0.000 0.000 0.304 453 S C 0.504 175.214 174.600 0.185 0.000 1.095 453 S CA 0.055 58.326 58.200 0.119 0.000 1.089 453 S CB 1.371 64.627 63.200 0.094 0.000 0.968 453 S HN 0.450 nan 8.310 nan 0.000 0.480 454 T N 3.794 118.456 114.554 0.180 0.000 2.819 454 T HA -0.056 4.294 4.350 -0.000 0.000 0.282 454 T C 0.641 175.425 174.700 0.139 0.000 1.013 454 T CA 0.472 62.652 62.100 0.134 0.000 1.159 454 T CB 0.133 69.065 68.868 0.106 0.000 1.007 454 T HN 0.513 nan 8.240 nan 0.000 0.514 455 D N 1.302 121.763 120.400 0.101 0.000 2.338 455 D HA 0.225 4.865 4.640 -0.000 0.000 0.224 455 D C 0.565 176.895 176.300 0.051 0.000 0.967 455 D CA 0.588 54.639 54.000 0.086 0.000 0.896 455 D CB 0.255 41.104 40.800 0.082 0.000 1.028 455 D HN 0.544 nan 8.370 nan 0.000 0.493 456 L N -2.823 118.429 121.223 0.049 0.000 2.510 456 L HA 0.788 5.128 4.340 -0.000 0.000 0.252 456 L C -1.089 175.810 176.870 0.048 0.000 1.091 456 L CA -1.069 53.794 54.840 0.037 0.000 0.888 456 L CB 2.056 44.126 42.059 0.018 0.000 1.507 456 L HN -0.343 nan 8.230 nan 0.000 0.407 457 V N 0.913 120.859 119.914 0.053 0.000 2.817 457 V HA 0.496 4.616 4.120 -0.000 0.000 0.303 457 V C -0.490 175.624 176.094 0.033 0.000 1.151 457 V CA -0.331 62.004 62.300 0.058 0.000 0.929 457 V CB 1.899 33.789 31.823 0.110 0.000 1.030 457 V HN 0.725 nan 8.190 nan 0.000 0.427 458 L N 4.796 126.016 121.223 -0.005 0.000 2.387 458 L HA 0.688 5.028 4.340 -0.000 0.000 0.266 458 L C -0.602 176.221 176.870 -0.078 0.000 1.059 458 L CA -0.546 54.267 54.840 -0.045 0.000 0.801 458 L CB 1.590 43.603 42.059 -0.077 0.000 1.223 458 L HN 0.447 nan 8.230 nan 0.000 0.456 459 I N -0.295 120.197 120.570 -0.131 0.000 2.894 459 I HA 0.532 4.702 4.170 -0.000 0.000 0.302 459 I C -0.122 175.838 176.117 -0.262 0.000 1.188 459 I CA -0.575 60.570 61.300 -0.259 0.000 1.014 459 I CB 2.370 40.084 38.000 -0.476 0.000 1.242 459 I HN 0.607 nan 8.210 nan 0.000 0.430 460 G N 2.258 110.889 108.800 -0.281 0.000 2.432 460 G HA2 0.763 4.723 3.960 -0.000 0.000 0.331 460 G HA3 0.763 4.723 3.960 -0.000 0.000 0.331 460 G C -0.878 173.933 174.900 -0.148 0.000 1.170 460 G CA -0.560 44.415 45.100 -0.207 0.000 0.943 460 G HN 0.832 nan 8.290 nan 0.000 0.483 461 A N 2.066 124.840 122.820 -0.076 0.000 3.346 461 A HA 0.591 4.911 4.320 -0.000 0.000 0.222 461 A C -1.990 175.609 177.584 0.025 0.000 1.138 461 A CA -0.441 51.625 52.037 0.048 0.000 1.074 461 A CB 0.883 19.950 19.000 0.112 0.000 1.347 461 A HN 0.341 nan 8.150 nan 0.000 0.751 462 P HA -0.161 nan 4.420 nan 0.000 0.218 462 P C 0.301 177.440 177.300 -0.269 0.000 1.146 462 P CA 1.424 64.334 63.100 -0.317 0.000 0.820 462 P CB -0.087 31.221 31.700 -0.653 0.000 0.778 463 H N -2.408 116.756 119.070 0.156 0.000 2.375 463 H HA 0.304 4.860 4.556 -0.000 0.000 0.230 463 H C -0.599 174.949 175.328 0.365 0.000 1.511 463 H CA -0.535 55.628 56.048 0.191 0.000 1.215 463 H CB -0.506 29.313 29.762 0.095 0.000 1.580 463 H HN 0.171 nan 8.280 nan 0.000 0.537 464 Y N 2.135 122.627 120.300 0.321 0.000 2.605 464 Y HA 0.495 5.045 4.550 -0.000 0.000 0.343 464 Y C -1.420 174.746 175.900 0.444 0.000 1.036 464 Y CA -1.396 56.895 58.100 0.319 0.000 1.065 464 Y CB 1.653 40.227 38.460 0.190 0.000 1.288 464 Y HN 0.266 nan 8.280 nan 0.000 0.481 465 Y N 0.536 120.302 120.300 -0.890 0.000 3.035 465 Y HA 0.381 4.931 4.550 -0.000 0.000 0.388 465 Y C -0.594 174.939 175.900 -0.611 0.000 1.268 465 Y CA -0.636 57.098 58.100 -0.609 0.000 1.128 465 Y CB 0.430 38.793 38.460 -0.161 0.000 1.820 465 Y HN 0.570 nan 8.280 nan 0.000 0.432 466 E N -1.567 118.488 120.200 -0.241 0.000 2.756 466 E HA 0.182 4.532 4.350 -0.000 0.000 0.218 466 E C 0.336 176.979 176.600 0.071 0.000 1.042 466 E CA 0.142 56.411 56.400 -0.218 0.000 1.713 466 E CB 0.272 29.880 29.700 -0.154 0.000 2.443 466 E HN 0.470 nan 8.360 nan 0.000 1.080 467 Q N 0.251 120.134 119.800 0.139 0.000 2.330 467 Q HA 0.252 4.592 4.340 -0.000 0.000 0.254 467 Q C -0.158 175.902 176.000 0.100 0.000 0.777 467 Q CA 0.867 56.744 55.803 0.124 0.000 0.972 467 Q CB 2.120 30.895 28.738 0.062 0.000 1.236 467 Q HN 0.092 nan 8.270 nan 0.000 0.508 468 T N 1.477 116.095 114.554 0.106 0.000 2.840 468 T HA 0.421 4.771 4.350 -0.000 0.000 0.287 468 T C 0.083 174.848 174.700 0.108 0.000 0.991 468 T CA -0.438 61.697 62.100 0.059 0.000 0.964 468 T CB 1.602 70.502 68.868 0.052 0.000 0.954 468 T HN -0.050 nan 8.240 nan 0.000 0.438 469 R N 2.022 122.553 120.500 0.051 0.000 4.263 469 R HA 0.198 4.538 4.340 -0.000 0.000 0.248 469 R C 1.902 178.327 176.300 0.209 0.000 1.796 469 R CA -0.277 55.904 56.100 0.136 0.000 1.518 469 R CB -0.319 30.025 30.300 0.072 0.000 1.342 469 R HN 0.864 nan 8.270 nan 0.000 0.706 470 G N 0.146 109.064 108.800 0.197 0.000 2.446 470 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 470 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 470 G C 0.685 175.770 174.900 0.308 0.000 1.168 470 G CA 0.854 46.093 45.100 0.232 0.000 0.771 470 G HN 0.614 nan 8.290 nan 0.000 0.551 471 G N -2.109 106.894 108.800 0.338 0.000 2.340 471 G HA2 0.442 4.402 3.960 -0.000 0.000 0.282 471 G HA3 0.442 4.402 3.960 -0.000 0.000 0.282 471 G C -1.807 173.361 174.900 0.446 0.000 1.312 471 G CA 0.124 45.447 45.100 0.371 0.000 0.942 471 G HN 0.765 nan 8.290 nan 0.000 0.495 472 Q N -1.093 118.907 119.800 0.333 0.000 2.429 472 Q HA 0.569 4.909 4.340 -0.000 0.000 0.247 472 Q C -1.495 174.528 176.000 0.039 0.000 0.915 472 Q CA -0.484 55.492 55.803 0.289 0.000 0.971 472 Q CB 1.944 30.873 28.738 0.319 0.000 1.468 472 Q HN 1.142 nan 8.270 nan 0.000 0.439 473 V N 2.269 122.189 119.914 0.010 0.000 2.555 473 V HA 0.830 4.950 4.120 -0.000 0.000 0.302 473 V C -0.591 175.523 176.094 0.034 0.000 1.038 473 V CA -0.677 61.551 62.300 -0.119 0.000 0.887 473 V CB 2.008 33.623 31.823 -0.347 0.000 0.991 473 V HN 0.727 nan 8.190 nan 0.000 0.434 474 S N 3.389 119.106 115.700 0.027 0.000 2.498 474 S HA 0.560 5.030 4.470 -0.000 0.000 0.317 474 S C -0.822 173.810 174.600 0.054 0.000 1.090 474 S CA -0.469 57.801 58.200 0.118 0.000 1.089 474 S CB 1.533 64.897 63.200 0.274 0.000 0.997 474 S HN 0.709 nan 8.310 nan 0.000 0.470 475 V N 5.929 125.876 119.914 0.055 0.000 2.498 475 V HA 0.591 4.711 4.120 -0.000 0.000 0.279 475 V C -0.777 175.298 176.094 -0.032 0.000 1.048 475 V CA -0.093 62.212 62.300 0.009 0.000 0.967 475 V CB 0.321 32.152 31.823 0.013 0.000 0.988 475 V HN 1.075 nan 8.190 nan 0.000 0.473 476 c N 7.739 126.293 118.600 -0.076 0.000 3.078 476 c HA 0.400 4.970 4.570 -0.000 0.000 0.320 476 c C -2.430 171.536 174.090 -0.207 0.000 1.039 476 c CA -1.073 55.104 56.329 -0.253 0.000 1.386 476 c CB 0.751 43.090 42.510 -0.284 0.000 1.836 476 c HN 0.760 nan 8.230 nan 0.000 0.514 477 P HA 0.081 nan 4.420 nan 0.000 0.272 477 P C -0.255 176.997 177.300 -0.079 0.000 1.243 477 P CA -0.268 62.726 63.100 -0.178 0.000 0.803 477 P CB 0.520 32.083 31.700 -0.228 0.000 0.974 478 L N 1.694 122.927 121.223 0.016 0.000 2.719 478 L HA 0.444 4.784 4.340 -0.000 0.000 0.236 478 L C -2.393 174.445 176.870 -0.052 0.000 1.221 478 L CA -2.414 52.499 54.840 0.121 0.000 1.048 478 L CB -0.574 41.482 42.059 -0.004 0.000 1.364 478 L HN 0.150 nan 8.230 nan 0.000 0.447 479 P HA 0.076 nan 4.420 nan 0.000 0.264 479 P C -0.753 176.499 177.300 -0.079 0.000 1.179 479 P CA 0.123 63.137 63.100 -0.143 0.000 0.763 479 P CB 0.363 31.827 31.700 -0.392 0.000 0.806 480 R N 2.079 122.520 120.500 -0.098 0.000 2.346 480 R HA 0.652 4.992 4.340 -0.000 0.000 0.311 480 R C -0.322 175.968 176.300 -0.017 0.000 0.983 480 R CA -0.069 55.950 56.100 -0.134 0.000 0.880 480 R CB 0.345 30.453 30.300 -0.321 0.000 1.100 480 R HN 0.702 nan 8.270 nan 0.000 0.453 481 G N 4.313 113.137 108.800 0.041 0.000 2.491 481 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.508 481 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.508 481 G C -0.981 174.031 174.900 0.187 0.000 1.143 481 G CA -0.816 44.304 45.100 0.032 0.000 1.277 481 G HN 0.358 nan 8.290 nan 0.000 0.599 482 W N 1.828 123.101 121.300 -0.045 0.000 2.055 482 W HA 0.447 5.107 4.660 -0.000 0.000 0.356 482 W C 1.761 178.284 176.519 0.007 0.000 1.331 482 W CA 0.202 57.518 57.345 -0.048 0.000 1.364 482 W CB -0.166 29.252 29.460 -0.070 0.000 1.274 482 W HN 0.904 nan 8.180 nan 0.000 0.645 483 R N -1.205 119.447 120.500 0.253 0.000 3.922 483 R HA -0.236 4.104 4.340 -0.000 0.000 0.447 483 R C 0.294 176.706 176.300 0.187 0.000 1.035 483 R CA 1.405 57.609 56.100 0.173 0.000 1.289 483 R CB -1.204 29.191 30.300 0.157 0.000 1.906 483 R HN 0.492 nan 8.270 nan 0.000 0.540 484 R N -0.099 120.551 120.500 0.250 0.000 2.510 484 R HA 0.365 4.705 4.340 -0.000 0.000 0.287 484 R C -2.075 174.521 176.300 0.493 0.000 1.084 484 R CA -0.597 55.713 56.100 0.350 0.000 0.934 484 R CB 1.256 31.759 30.300 0.339 0.000 1.201 484 R HN 0.125 nan 8.270 nan 0.000 0.431 485 W N 6.706 128.172 121.300 0.276 0.000 4.020 485 W HA 0.346 5.006 4.660 -0.000 0.000 0.293 485 W C -2.259 174.353 176.519 0.156 0.000 1.236 485 W CA -0.660 56.676 57.345 -0.015 0.000 1.265 485 W CB 0.863 30.222 29.460 -0.168 0.000 1.248 485 W HN 0.563 nan 8.180 nan 0.000 0.501 486 W N 4.861 125.776 121.300 -0.641 0.000 2.683 486 W HA 0.609 5.269 4.660 -0.000 0.000 0.329 486 W C -0.422 175.583 176.519 -0.857 0.000 1.037 486 W CA -1.128 55.881 57.345 -0.561 0.000 1.232 486 W CB 0.660 29.938 29.460 -0.302 0.000 1.390 486 W HN 0.277 nan 8.180 nan 0.000 0.465 487 c N 2.057 120.300 118.600 -0.594 0.000 2.539 487 c HA -0.056 4.514 4.570 -0.000 0.000 0.271 487 c C 0.936 174.935 174.090 -0.150 0.000 1.412 487 c CA 0.650 56.709 56.329 -0.450 0.000 1.729 487 c CB -1.802 40.599 42.510 -0.181 0.000 1.739 487 c HN 0.720 nan 8.230 nan 0.000 0.570 488 D N 0.586 120.983 120.400 -0.005 0.000 2.970 488 D HA 0.317 4.957 4.640 -0.000 0.000 0.282 488 D C 0.574 177.024 176.300 0.249 0.000 1.291 488 D CA -0.033 54.030 54.000 0.105 0.000 0.967 488 D CB 0.094 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 1.678 124.617 122.820 0.198 0.000 3.074 489 A HA 0.477 4.797 4.320 -0.000 0.000 0.251 489 A C 1.306 178.955 177.584 0.108 0.000 1.695 489 A CA -0.140 52.012 52.037 0.192 0.000 1.343 489 A CB -0.797 18.267 19.000 0.107 0.000 1.078 489 A HN 0.394 nan 8.150 nan 0.000 0.644 490 V N -1.605 118.370 119.914 0.102 0.000 0.677 490 V HA -0.379 3.741 4.120 -0.000 0.000 0.092 490 V C 1.188 177.351 176.094 0.115 0.000 0.999 490 V CA 1.989 64.337 62.300 0.081 0.000 3.144 490 V CB -2.124 29.725 31.823 0.043 0.000 0.313 490 V HN 1.225 nan 8.190 nan 0.000 0.280 491 L N 0.718 121.974 121.223 0.056 0.000 2.600 491 L HA 0.737 5.077 4.340 -0.000 0.000 0.221 491 L C -0.302 176.627 176.870 0.099 0.000 1.197 491 L CA 0.140 54.946 54.840 -0.056 0.000 0.838 491 L CB 0.204 42.223 42.059 -0.067 0.000 1.474 491 L HN 1.122 nan 8.230 nan 0.000 0.514 492 Y N -2.799 117.542 120.300 0.069 0.000 2.246 492 Y HA 0.618 5.168 4.550 -0.000 0.000 0.315 492 Y C -0.223 175.746 175.900 0.114 0.000 1.251 492 Y CA -1.104 57.037 58.100 0.068 0.000 1.212 492 Y CB -0.360 38.145 38.460 0.075 0.000 1.277 492 Y HN 0.935 nan 8.280 nan 0.000 0.398 493 G N 2.340 111.245 108.800 0.176 0.000 2.544 493 G HA2 0.512 4.472 3.960 -0.000 0.000 0.242 493 G HA3 0.512 4.472 3.960 -0.000 0.000 0.242 493 G C -0.421 174.742 174.900 0.438 0.000 1.247 493 G CA -0.004 45.233 45.100 0.228 0.000 0.840 493 G HN 0.819 nan 8.290 nan 0.000 0.578 494 E N -0.549 119.777 120.200 0.211 0.000 2.909 494 E HA 0.544 4.894 4.350 -0.000 0.000 0.119 494 E C -0.922 175.357 176.600 -0.535 0.000 1.056 494 E CA -0.706 55.715 56.400 0.035 0.000 0.788 494 E CB 1.146 30.968 29.700 0.204 0.000 2.111 494 E HN 0.404 nan 8.360 nan 0.000 0.447 495 Q N -0.731 118.935 119.800 -0.222 0.000 2.939 495 Q HA 0.335 4.675 4.340 -0.000 0.000 0.274 495 Q C -1.768 174.248 176.000 0.027 0.000 0.941 495 Q CA 0.119 55.817 55.803 -0.174 0.000 0.824 495 Q CB 1.347 29.884 28.738 -0.335 0.000 1.779 495 Q HN 0.568 nan 8.270 nan 0.000 0.470 496 G N 1.868 110.717 108.800 0.082 0.000 3.343 496 G HA2 0.466 4.426 3.960 -0.000 0.000 0.279 496 G HA3 0.466 4.426 3.960 -0.000 0.000 0.279 496 G C -0.999 174.011 174.900 0.183 0.000 0.919 496 G CA 0.368 45.534 45.100 0.110 0.000 1.812 496 G HN 0.613 nan 8.290 nan 0.000 0.584 497 H N 0.865 119.973 119.070 0.062 0.000 3.298 497 H HA 0.331 4.887 4.556 -0.000 0.000 0.328 497 H C -2.778 172.609 175.328 0.099 0.000 1.278 497 H CA -0.890 55.203 56.048 0.074 0.000 1.609 497 H CB 1.814 31.634 29.762 0.097 0.000 2.082 497 H HN 0.209 nan 8.280 nan 0.000 0.465 498 P HA -0.138 nan 4.420 nan 0.000 0.271 498 P C -0.207 177.130 177.300 0.061 0.000 1.233 498 P CA 0.296 63.335 63.100 -0.102 0.000 0.795 498 P CB 0.383 31.914 31.700 -0.280 0.000 0.936 499 W N -0.266 121.005 121.300 -0.049 0.000 6.719 499 W HA -0.122 4.538 4.660 -0.000 0.000 0.406 499 W C 1.298 177.890 176.519 0.122 0.000 1.551 499 W CA 1.265 58.623 57.345 0.022 0.000 1.103 499 W CB -2.462 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 -0.947 108.070 108.800 0.362 0.000 2.762 500 G HA2 0.089 4.049 3.960 -0.000 0.000 0.209 500 G HA3 0.089 4.049 3.960 -0.000 0.000 0.209 500 G C 0.926 175.995 174.900 0.281 0.000 1.134 500 G CA 0.037 45.362 45.100 0.375 0.000 0.781 500 G HN 0.246 nan 8.290 nan 0.000 0.528 501 R N -0.870 119.752 120.500 0.203 0.000 3.209 501 R HA -0.195 4.145 4.340 -0.000 0.000 0.252 501 R C -0.712 175.676 176.300 0.147 0.000 0.958 501 R CA 0.237 56.377 56.100 0.067 0.000 0.651 501 R CB -2.232 28.077 30.300 0.015 0.000 1.142 501 R HN 0.428 nan 8.270 nan 0.000 0.441 502 F N 0.580 120.568 119.950 0.064 0.000 2.421 502 F HA 0.410 4.937 4.527 -0.000 0.000 0.358 502 F C 1.252 177.063 175.800 0.018 0.000 1.115 502 F CA 1.045 59.092 58.000 0.079 0.000 1.160 502 F CB 1.053 40.100 39.000 0.078 0.000 1.123 502 F HN 0.365 nan 8.300 nan 0.000 0.508 503 G N 3.541 112.017 108.800 -0.539 0.000 2.164 503 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.154 503 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.154 503 G C 0.801 175.548 174.900 -0.256 0.000 1.014 503 G CA 0.009 44.802 45.100 -0.513 0.000 0.683 503 G HN 1.134 nan 8.290 nan 0.000 0.500 504 A N -0.527 122.190 122.820 -0.171 0.000 1.940 504 A HA 0.626 4.946 4.320 -0.000 0.000 0.219 504 A C 1.587 179.120 177.584 -0.085 0.000 1.176 504 A CA 2.623 54.590 52.037 -0.115 0.000 0.631 504 A CB -0.165 18.793 19.000 -0.070 0.000 0.814 504 A HN 2.310 nan 8.150 nan 0.000 0.446 505 A N -2.290 120.473 122.820 -0.094 0.000 2.588 505 A HA 0.723 5.043 4.320 -0.000 0.000 0.290 505 A C -1.506 176.028 177.584 -0.084 0.000 1.136 505 A CA -0.106 51.887 52.037 -0.073 0.000 0.681 505 A CB 0.746 19.713 19.000 -0.056 0.000 1.282 505 A HN 1.497 nan 8.150 nan 0.000 0.421 506 L N -3.289 117.899 121.223 -0.059 0.000 2.948 506 L HA 0.821 5.161 4.340 -0.000 0.000 0.248 506 L C -0.674 176.181 176.870 -0.024 0.000 0.977 506 L CA -0.187 54.624 54.840 -0.048 0.000 1.002 506 L CB 1.050 43.058 42.059 -0.085 0.000 1.519 506 L HN 1.168 nan 8.230 nan 0.000 0.422 507 T N -0.024 114.527 114.554 -0.006 0.000 2.894 507 T HA 0.629 4.979 4.350 -0.000 0.000 0.309 507 T C -1.278 173.433 174.700 0.017 0.000 1.208 507 T CA -0.288 61.817 62.100 0.007 0.000 1.016 507 T CB 2.130 71.006 68.868 0.014 0.000 1.192 507 T HN 1.370 nan 8.240 nan 0.000 0.491 508 V N 5.652 125.579 119.914 0.021 0.000 2.585 508 V HA 0.292 4.412 4.120 -0.000 0.000 0.296 508 V C 0.767 176.880 176.094 0.031 0.000 1.035 508 V CA 0.266 62.584 62.300 0.029 0.000 1.084 508 V CB 0.796 32.638 31.823 0.032 0.000 0.953 508 V HN 0.867 nan 8.190 nan 0.000 0.483 509 L N 7.126 128.370 121.223 0.036 0.000 2.388 509 L HA 0.666 5.006 4.340 -0.000 0.000 0.209 509 L C 1.023 177.913 176.870 0.033 0.000 1.061 509 L CA 1.877 56.737 54.840 0.033 0.000 0.834 509 L CB -0.436 41.643 42.059 0.034 0.000 1.029 509 L HN 1.195 nan 8.230 nan 0.000 0.473 510 G N -0.307 108.519 108.800 0.043 0.000 2.512 510 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.210 510 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.210 510 G C -0.977 173.956 174.900 0.055 0.000 1.295 510 G CA -0.075 45.052 45.100 0.046 0.000 0.934 510 G HN 0.320 nan 8.290 nan 0.000 0.554 511 D N 0.854 121.286 120.400 0.053 0.000 2.336 511 D HA 0.365 5.005 4.640 -0.000 0.000 0.249 511 D C 1.677 178.005 176.300 0.047 0.000 1.213 511 D CA 0.489 54.526 54.000 0.063 0.000 0.870 511 D CB 1.136 41.974 40.800 0.065 0.000 1.076 511 D HN 1.071 nan 8.370 nan 0.000 0.483 512 V N 2.198 122.136 119.914 0.040 0.000 3.013 512 V HA 0.098 4.218 4.120 -0.000 0.000 0.238 512 V C 1.408 177.497 176.094 -0.008 0.000 1.161 512 V CA 0.611 62.912 62.300 0.003 0.000 1.170 512 V CB -0.438 31.366 31.823 -0.031 0.000 0.917 512 V HN 0.481 nan 8.190 nan 0.000 0.478 513 N N 1.378 120.071 118.700 -0.012 0.000 2.336 513 N HA 0.294 5.034 4.740 -0.000 0.000 0.189 513 N C 1.480 177.145 175.510 0.258 0.000 1.113 513 N CA 0.846 53.917 53.050 0.035 0.000 0.858 513 N CB 0.465 38.868 38.487 -0.140 0.000 0.970 513 N HN 0.973 nan 8.380 nan 0.000 0.471 514 G N 0.998 109.918 108.800 0.201 0.000 2.159 514 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 514 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 514 G C 0.081 175.176 174.900 0.325 0.000 0.977 514 G CA 0.429 45.676 45.100 0.246 0.000 0.652 514 G HN 0.660 nan 8.290 nan 0.000 0.531 515 D N 0.192 120.751 120.400 0.265 0.000 2.352 515 D HA 0.266 4.906 4.640 -0.000 0.000 0.236 515 D C 1.418 177.806 176.300 0.146 0.000 1.148 515 D CA 0.101 54.227 54.000 0.210 0.000 0.844 515 D CB -0.038 40.806 40.800 0.073 0.000 0.933 515 D HN 0.316 nan 8.370 nan 0.000 0.507 516 K N -0.768 119.715 120.400 0.138 0.000 3.529 516 K HA -0.194 4.126 4.320 -0.000 0.000 0.313 516 K C -0.336 176.321 176.600 0.096 0.000 1.316 516 K CA 0.568 56.918 56.287 0.104 0.000 0.988 516 K CB -1.980 30.577 32.500 0.094 0.000 1.252 516 K HN 0.416 nan 8.250 nan 0.000 0.438 517 L N 2.155 123.443 121.223 0.108 0.000 2.313 517 L HA 0.188 4.527 4.340 -0.000 0.000 0.273 517 L C 0.847 177.797 176.870 0.134 0.000 1.028 517 L CA -0.376 54.533 54.840 0.115 0.000 0.871 517 L CB 1.648 43.779 42.059 0.119 0.000 1.242 517 L HN -0.031 nan 8.230 nan 0.000 0.434 518 T N 1.684 116.306 114.554 0.113 0.000 2.898 518 T HA -0.025 4.325 4.350 -0.000 0.000 0.331 518 T C -0.295 174.484 174.700 0.133 0.000 1.085 518 T CA 0.357 62.521 62.100 0.106 0.000 1.129 518 T CB 0.129 69.046 68.868 0.083 0.000 1.054 518 T HN 0.472 nan 8.240 nan 0.000 0.540 519 D N 1.352 121.819 120.400 0.112 0.000 2.575 519 D HA 0.562 5.202 4.640 -0.000 0.000 0.236 519 D C -0.320 176.017 176.300 0.062 0.000 1.075 519 D CA -0.326 53.729 54.000 0.093 0.000 0.860 519 D CB 1.866 42.713 40.800 0.078 0.000 1.475 519 D HN 0.501 nan 8.370 nan 0.000 0.474 520 V N -1.704 118.251 119.914 0.067 0.000 3.046 520 V HA 0.855 4.975 4.120 -0.000 0.000 0.316 520 V C -0.407 175.750 176.094 0.104 0.000 1.104 520 V CA -0.763 61.578 62.300 0.068 0.000 1.006 520 V CB 1.853 33.704 31.823 0.046 0.000 1.058 520 V HN 0.274 nan 8.190 nan 0.000 0.440 521 V N 2.425 122.390 119.914 0.085 0.000 2.680 521 V HA 0.637 4.757 4.120 -0.000 0.000 0.309 521 V C -0.415 175.739 176.094 0.099 0.000 1.052 521 V CA -0.414 61.956 62.300 0.117 0.000 0.908 521 V CB 1.722 33.590 31.823 0.074 0.000 1.001 521 V HN 0.823 nan 8.190 nan 0.000 0.431 522 I N 2.389 123.067 120.570 0.181 0.000 2.534 522 I HA 0.572 4.742 4.170 -0.000 0.000 0.288 522 I C 0.469 176.715 176.117 0.215 0.000 1.077 522 I CA -0.432 60.949 61.300 0.135 0.000 1.051 522 I CB 2.202 40.267 38.000 0.109 0.000 1.234 522 I HN 0.755 nan 8.210 nan 0.000 0.425 523 G N 3.827 112.664 108.800 0.062 0.000 2.451 523 G HA2 0.711 4.671 3.960 -0.000 0.000 0.303 523 G HA3 0.711 4.671 3.960 -0.000 0.000 0.303 523 G C -0.517 174.474 174.900 0.151 0.000 1.166 523 G CA -0.411 44.710 45.100 0.035 0.000 0.884 523 G HN 0.810 nan 8.290 nan 0.000 0.514 524 A N 2.061 124.981 122.820 0.167 0.000 3.200 524 A HA 0.601 4.921 4.320 -0.000 0.000 0.274 524 A C -2.296 175.412 177.584 0.206 0.000 1.220 524 A CA -0.636 51.567 52.037 0.277 0.000 0.904 524 A CB 1.311 20.668 19.000 0.595 0.000 1.415 524 A HN 0.337 nan 8.150 nan 0.000 0.630 525 P HA 0.046 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 1.658 64.885 63.100 0.211 0.000 0.760 525 P CB 0.315 32.134 31.700 0.199 0.000 0.884 526 G N -1.537 107.392 108.800 0.214 0.000 3.159 526 G HA2 0.005 3.965 3.960 -0.000 0.000 0.232 526 G HA3 0.005 3.965 3.960 -0.000 0.000 0.232 526 G C 0.538 175.617 174.900 0.299 0.000 1.116 526 G CA -0.071 45.167 45.100 0.230 0.000 0.767 526 G HN 0.097 nan 8.290 nan 0.000 0.547 527 E N 1.158 121.516 120.200 0.264 0.000 2.447 527 E HA 0.122 4.472 4.350 -0.000 0.000 0.259 527 E C 0.798 177.441 176.600 0.071 0.000 1.196 527 E CA 0.078 56.574 56.400 0.160 0.000 0.995 527 E CB 0.481 30.214 29.700 0.055 0.000 0.974 527 E HN 0.505 nan 8.360 nan 0.000 0.465 528 E N 0.069 120.056 120.200 -0.355 0.000 3.675 528 E HA -0.292 4.058 4.350 -0.000 0.000 0.252 528 E C -0.064 176.685 176.600 0.247 0.000 1.502 528 E CA 1.558 57.905 56.400 -0.087 0.000 2.293 528 E CB -0.613 29.056 29.700 -0.052 0.000 2.078 528 E HN 0.698 nan 8.360 nan 0.000 0.461 529 E N 2.296 122.597 120.200 0.169 0.000 1.972 529 E HA 0.101 4.451 4.350 -0.000 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 29.883 29.700 0.122 0.000 1.167 529 E HN 0.571 nan 8.360 nan 0.000 0.479 530 N N 1.299 120.136 118.700 0.228 0.000 2.946 530 N HA -0.214 4.526 4.740 -0.000 0.000 0.228 530 N C -0.441 175.212 175.510 0.237 0.000 0.873 530 N CA 1.155 54.346 53.050 0.235 0.000 1.029 530 N CB -0.564 38.056 38.487 0.223 0.000 1.047 530 N HN 0.401 nan 8.380 nan 0.000 0.612 531 R N 0.547 121.155 120.500 0.179 0.000 2.905 531 R HA 0.341 4.681 4.340 -0.000 0.000 0.273 531 R C 1.254 177.682 176.300 0.214 0.000 1.033 531 R CA 0.780 56.971 56.100 0.151 0.000 1.182 531 R CB -0.645 29.700 30.300 0.075 0.000 1.097 531 R HN 0.317 nan 8.270 nan 0.000 0.504 532 G N -1.132 107.827 108.800 0.265 0.000 2.557 532 G HA2 0.577 4.537 3.960 -0.000 0.000 0.292 532 G HA3 0.577 4.537 3.960 -0.000 0.000 0.292 532 G C -1.063 174.094 174.900 0.428 0.000 1.237 532 G CA 0.118 45.508 45.100 0.482 0.000 0.978 532 G HN 0.676 nan 8.290 nan 0.000 0.498 533 A N -1.732 121.359 122.820 0.451 0.000 2.583 533 A HA 0.675 4.995 4.320 -0.000 0.000 0.292 533 A C -1.413 176.196 177.584 0.042 0.000 1.045 533 A CA -0.375 51.799 52.037 0.228 0.000 0.672 533 A CB 1.270 20.270 19.000 -0.000 0.000 1.283 533 A HN 1.518 nan 8.150 nan 0.000 0.419 534 V N 0.196 120.025 119.914 -0.141 0.000 3.087 534 V HA 0.704 4.824 4.120 -0.000 0.000 0.306 534 V C -1.570 174.311 176.094 -0.356 0.000 1.187 534 V CA -0.622 61.597 62.300 -0.134 0.000 0.999 534 V CB 2.067 33.888 31.823 -0.004 0.000 1.049 534 V HN 0.908 nan 8.190 nan 0.000 0.431 535 Y N 2.127 122.533 120.300 0.176 0.000 2.545 535 Y HA 0.817 5.367 4.550 -0.000 0.000 0.348 535 Y C -0.665 175.383 175.900 0.247 0.000 1.002 535 Y CA -0.903 57.298 58.100 0.167 0.000 1.039 535 Y CB 2.125 40.785 38.460 0.333 0.000 1.271 535 Y HN 0.517 nan 8.280 nan 0.000 0.467 536 L N 2.828 124.227 121.223 0.294 0.000 2.376 536 L HA 0.704 5.044 4.340 -0.000 0.000 0.275 536 L C -1.969 174.903 176.870 0.003 0.000 0.987 536 L CA -0.611 54.338 54.840 0.182 0.000 0.828 536 L CB 0.516 42.602 42.059 0.045 0.000 1.249 536 L HN 0.454 nan 8.230 nan 0.000 0.409 537 F N 2.783 122.665 119.950 -0.113 0.000 2.618 537 F HA 0.675 5.202 4.527 -0.000 0.000 0.332 537 F C 0.117 175.682 175.800 -0.392 0.000 1.061 537 F CA -0.685 57.224 58.000 -0.151 0.000 0.974 537 F CB 1.563 40.589 39.000 0.043 0.000 1.310 537 F HN 0.396 nan 8.300 nan 0.000 0.491 538 H N -0.872 118.380 119.070 0.304 0.000 2.821 538 H HA 0.505 5.061 4.556 -0.000 0.000 0.373 538 H C 0.049 175.482 175.328 0.175 0.000 1.165 538 H CA -0.961 55.205 56.048 0.196 0.000 1.154 538 H CB 1.629 31.486 29.762 0.159 0.000 1.765 538 H HN 0.775 nan 8.280 nan 0.000 0.549 539 G N 0.051 109.003 108.800 0.254 0.000 2.588 539 G HA2 0.385 4.345 3.960 -0.000 0.000 0.278 539 G HA3 0.385 4.345 3.960 -0.000 0.000 0.278 539 G C 0.395 175.390 174.900 0.158 0.000 1.307 539 G CA -0.024 45.181 45.100 0.174 0.000 1.016 539 G HN 0.362 nan 8.290 nan 0.000 0.503 540 V N -1.181 118.805 119.914 0.119 0.000 4.491 540 V HA 0.419 4.539 4.120 -0.000 0.000 0.164 540 V C -0.050 176.094 176.094 0.084 0.000 1.146 540 V CA -0.047 62.312 62.300 0.098 0.000 1.322 540 V CB -0.205 31.671 31.823 0.090 0.000 1.741 540 V HN 0.405 nan 8.190 nan 0.000 0.542 541 L N 0.736 122.006 121.223 0.079 0.000 2.568 541 L HA 0.649 4.989 4.340 -0.000 0.000 0.262 541 L C 0.352 177.265 176.870 0.072 0.000 0.980 541 L CA 0.392 55.277 54.840 0.074 0.000 0.882 541 L CB 1.140 43.241 42.059 0.070 0.000 1.198 541 L HN 0.688 nan 8.230 nan 0.000 0.425 542 G N 4.440 113.284 108.800 0.073 0.000 2.514 542 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.265 542 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.265 542 G C -2.657 172.283 174.900 0.067 0.000 1.150 542 G CA -0.392 44.751 45.100 0.071 0.000 0.959 542 G HN 0.411 nan 8.290 nan 0.000 0.556 543 P HA 0.459 nan 4.420 nan 0.000 0.273 543 P C -0.326 177.007 177.300 0.055 0.000 1.428 543 P CA 1.061 64.189 63.100 0.048 0.000 0.995 543 P CB 0.344 32.067 31.700 0.039 0.000 1.286 544 S N 3.373 119.108 115.700 0.058 0.000 2.712 544 S HA 0.641 5.111 4.470 -0.000 0.000 0.279 544 S C -0.766 173.884 174.600 0.083 0.000 1.025 544 S CA -0.948 57.292 58.200 0.067 0.000 0.861 544 S CB 0.264 63.506 63.200 0.071 0.000 1.091 544 S HN 0.437 nan 8.310 nan 0.000 0.457 545 I N -1.700 118.928 120.570 0.095 0.000 3.279 545 I HA 0.882 5.052 4.170 -0.000 0.000 0.315 545 I C -0.676 175.548 176.117 0.179 0.000 1.187 545 I CA -0.864 60.521 61.300 0.142 0.000 0.953 545 I CB 1.966 40.041 38.000 0.125 0.000 1.279 545 I HN 0.690 nan 8.210 nan 0.000 0.465 546 S N 2.538 118.398 115.700 0.267 0.000 2.434 546 S HA 0.483 4.953 4.470 -0.000 0.000 0.318 546 S C -1.760 173.049 174.600 0.347 0.000 1.062 546 S CA -1.493 56.856 58.200 0.249 0.000 1.116 546 S CB 0.502 63.842 63.200 0.234 0.000 0.977 546 S HN 0.557 nan 8.310 nan 0.000 0.480 547 P HA -0.099 nan 4.420 nan 0.000 0.217 547 P C 0.075 177.517 177.300 0.236 0.000 1.158 547 P CA 0.994 64.270 63.100 0.293 0.000 0.887 547 P CB 0.007 31.773 31.700 0.110 0.000 0.792 548 S N 1.042 116.778 115.700 0.059 0.000 2.429 548 S HA 0.033 4.503 4.470 -0.000 0.000 0.292 548 S C 0.540 174.992 174.600 -0.247 0.000 1.183 548 S CA -0.318 57.816 58.200 -0.110 0.000 1.088 548 S CB -0.854 62.285 63.200 -0.102 0.000 1.018 548 S HN 0.300 nan 8.310 nan 0.000 0.511 549 H N 1.507 120.294 119.070 -0.470 0.000 2.679 549 H HA 0.266 4.822 4.556 -0.000 0.000 0.369 549 H C 1.008 176.216 175.328 -0.200 0.000 1.178 549 H CA -0.063 55.579 56.048 -0.677 0.000 1.419 549 H CB 0.469 29.672 29.762 -0.932 0.000 1.458 549 H HN 0.535 nan 8.280 nan 0.000 0.605 550 S N 0.548 116.261 115.700 0.021 0.000 2.483 550 S HA 0.035 4.505 4.470 -0.000 0.000 0.221 550 S C 0.723 175.432 174.600 0.180 0.000 1.030 550 S CA -0.053 58.240 58.200 0.156 0.000 0.925 550 S CB 0.396 63.909 63.200 0.521 0.000 0.795 550 S HN 0.743 nan 8.310 nan 0.000 0.511 551 Q N 0.214 120.156 119.800 0.236 0.000 2.456 551 Q HA 0.570 4.910 4.340 -0.000 0.000 0.283 551 Q C -1.302 174.832 176.000 0.223 0.000 1.084 551 Q CA -0.814 55.117 55.803 0.213 0.000 0.801 551 Q CB 1.821 30.653 28.738 0.156 0.000 1.434 551 Q HN 0.300 nan 8.270 nan 0.000 0.419 552 R N 3.823 124.385 120.500 0.104 0.000 2.627 552 R HA 0.318 4.658 4.340 -0.000 0.000 0.251 552 R C -1.169 175.070 176.300 -0.101 0.000 1.524 552 R CA -0.162 55.885 56.100 -0.088 0.000 1.606 552 R CB 0.203 30.484 30.300 -0.032 0.000 1.396 552 R HN 0.636 nan 8.270 nan 0.000 0.724 553 I N 2.579 123.120 120.570 -0.048 0.000 2.680 553 I HA 0.042 4.212 4.170 -0.000 0.000 0.286 553 I C 0.809 176.919 176.117 -0.011 0.000 1.144 553 I CA 0.299 61.591 61.300 -0.013 0.000 1.370 553 I CB 0.706 38.732 38.000 0.044 0.000 1.420 553 I HN 0.419 nan 8.210 nan 0.000 0.540 554 A N 4.985 127.771 122.820 -0.057 0.000 2.452 554 A HA 0.695 5.015 4.320 -0.000 0.000 0.285 554 A C 1.314 178.797 177.584 -0.168 0.000 1.209 554 A CA -0.101 51.911 52.037 -0.043 0.000 0.940 554 A CB 0.221 19.178 19.000 -0.072 0.000 1.440 554 A HN 0.721 nan 8.150 nan 0.000 0.480 555 G N -0.606 108.097 108.800 -0.161 0.000 2.848 555 G HA2 0.181 4.141 3.960 -0.000 0.000 0.208 555 G HA3 0.181 4.141 3.960 -0.000 0.000 0.208 555 G C 0.664 175.458 174.900 -0.178 0.000 1.152 555 G CA 0.979 45.914 45.100 -0.275 0.000 0.789 555 G HN 0.528 nan 8.290 nan 0.000 0.531 556 S N 0.399 116.024 115.700 -0.125 0.000 2.605 556 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 556 S C 0.979 175.525 174.600 -0.090 0.000 0.958 556 S CA -0.010 58.138 58.200 -0.086 0.000 0.919 556 S CB 0.238 63.404 63.200 -0.058 0.000 0.780 556 S HN 0.236 nan 8.310 nan 0.000 0.507 557 Q N 1.436 121.161 119.800 -0.125 0.000 3.150 557 Q HA 0.316 4.656 4.340 -0.000 0.000 0.297 557 Q C 0.232 176.170 176.000 -0.103 0.000 1.382 557 Q CA -0.171 55.570 55.803 -0.104 0.000 1.059 557 Q CB -0.540 28.129 28.738 -0.115 0.000 1.559 557 Q HN 0.471 nan 8.270 nan 0.000 0.548 558 L N 0.361 121.536 121.223 -0.082 0.000 3.983 558 L HA -0.267 4.073 4.340 -0.000 0.000 0.453 558 L C 0.401 177.216 176.870 -0.092 0.000 1.119 558 L CA 0.562 55.358 54.840 -0.074 0.000 0.924 558 L CB -1.512 40.513 42.059 -0.057 0.000 1.831 558 L HN 0.289 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 0.206 4.676 4.470 -0.000 0.000 0.317 559 S C 1.518 176.058 174.600 -0.099 0.000 1.162 559 S CA 0.245 58.361 58.200 -0.141 0.000 1.124 559 S CB 1.071 64.137 63.200 -0.223 0.000 1.207 559 S HN 0.379 nan 8.310 nan 0.000 0.538 560 S N 5.100 120.755 115.700 -0.076 0.000 2.389 560 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 560 S C 0.712 175.281 174.600 -0.052 0.000 1.048 560 S CA 1.346 59.512 58.200 -0.057 0.000 1.117 560 S CB -0.199 62.972 63.200 -0.048 0.000 1.020 560 S HN 0.862 nan 8.310 nan 0.000 0.430 561 R N -0.145 120.323 120.500 -0.054 0.000 3.033 561 R HA 0.368 4.708 4.340 -0.000 0.000 0.236 561 R C -1.746 174.523 176.300 -0.052 0.000 1.774 561 R CA -0.007 56.067 56.100 -0.045 0.000 1.401 561 R CB 0.531 30.811 30.300 -0.032 0.000 1.539 561 R HN 0.178 nan 8.270 nan 0.000 0.618 562 L N 1.840 123.025 121.223 -0.064 0.000 2.356 562 L HA 0.354 4.694 4.340 -0.000 0.000 0.277 562 L C 1.086 177.919 176.870 -0.062 0.000 0.996 562 L CA -0.483 54.315 54.840 -0.070 0.000 0.822 562 L CB 2.475 44.499 42.059 -0.058 0.000 1.256 562 L HN 0.505 nan 8.230 nan 0.000 0.413 563 Q N 2.830 122.559 119.800 -0.118 0.000 1.813 563 Q HA -0.087 4.253 4.340 -0.000 0.000 0.261 563 Q C -0.680 175.348 176.000 0.045 0.000 0.975 563 Q CA 1.642 57.407 55.803 -0.064 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 -0.421 119.959 120.300 0.133 0.000 2.331 564 Y HA 0.524 5.074 4.550 -0.000 0.000 0.338 564 Y C -0.868 175.166 175.900 0.222 0.000 0.976 564 Y CA -1.624 56.575 58.100 0.165 0.000 1.137 564 Y CB 0.358 38.888 38.460 0.117 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 -0.000 0.000 0.316 565 F C 0.530 176.394 175.800 0.108 0.000 1.076 565 F CA -0.542 57.514 58.000 0.094 0.000 0.921 565 F CB 2.339 41.363 39.000 0.039 0.000 1.209 565 F HN 0.861 nan 8.300 nan 0.000 0.462 566 G N 2.810 111.206 108.800 -0.672 0.000 2.179 566 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 566 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 566 G C 0.566 175.339 174.900 -0.212 0.000 0.990 566 G CA 0.378 45.092 45.100 -0.643 0.000 0.646 566 G HN 0.806 nan 8.290 nan 0.000 0.517 567 Q N 0.019 119.777 119.800 -0.070 0.000 2.065 567 Q HA 0.137 4.477 4.340 -0.000 0.000 0.213 567 Q C 1.679 177.655 176.000 -0.041 0.000 1.012 567 Q CA 2.275 58.077 55.803 -0.002 0.000 0.876 567 Q CB -0.169 28.613 28.738 0.073 0.000 0.954 567 Q HN 1.410 nan 8.270 nan 0.000 0.413 568 A N -0.612 122.176 122.820 -0.053 0.000 2.485 568 A HA 0.778 5.098 4.320 -0.000 0.000 0.292 568 A C -1.591 175.956 177.584 -0.062 0.000 1.147 568 A CA -0.794 51.212 52.037 -0.053 0.000 0.750 568 A CB 1.498 20.472 19.000 -0.043 0.000 1.331 568 A HN 0.295 nan 8.150 nan 0.000 0.419 569 L N -3.189 118.009 121.223 -0.041 0.000 2.781 569 L HA 0.749 5.089 4.340 -0.000 0.000 0.256 569 L C -0.876 175.992 176.870 -0.004 0.000 0.930 569 L CA -0.338 54.487 54.840 -0.026 0.000 0.967 569 L CB 1.152 43.183 42.059 -0.046 0.000 1.551 569 L HN 0.469 nan 8.230 nan 0.000 0.445 570 S N 0.288 115.997 115.700 0.015 0.000 2.575 570 S HA 0.975 5.445 4.470 -0.000 0.000 0.278 570 S C -0.248 174.373 174.600 0.035 0.000 1.139 570 S CA -0.129 58.086 58.200 0.025 0.000 0.954 570 S CB 1.924 65.143 63.200 0.032 0.000 1.054 570 S HN 1.293 nan 8.310 nan 0.000 0.483 571 G N -0.155 108.664 108.800 0.032 0.000 2.766 571 G HA2 0.699 4.659 3.960 -0.000 0.000 0.288 571 G HA3 0.699 4.659 3.960 -0.000 0.000 0.288 571 G C 0.349 175.265 174.900 0.026 0.000 1.408 571 G CA -0.099 45.021 45.100 0.033 0.000 0.852 571 G HN 1.474 nan 8.290 nan 0.000 0.487 572 G N -1.559 107.254 108.800 0.022 0.000 2.367 572 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.181 572 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.181 572 G C 0.043 174.947 174.900 0.008 0.000 1.000 572 G CA 0.162 45.271 45.100 0.016 0.000 0.693 572 G HN 0.731 nan 8.290 nan 0.000 0.480 573 Q N 0.978 120.784 119.800 0.009 0.000 2.282 573 Q HA 0.551 4.891 4.340 -0.000 0.000 0.260 573 Q C -0.884 175.112 176.000 -0.007 0.000 0.964 573 Q CA -0.576 55.227 55.803 0.000 0.000 0.880 573 Q CB 2.048 30.790 28.738 0.006 0.000 1.286 573 Q HN 0.252 nan 8.270 nan 0.000 0.445 574 D N 2.318 122.706 120.400 -0.020 0.000 2.352 574 D HA 0.129 4.769 4.640 -0.000 0.000 0.245 574 D C -0.062 176.211 176.300 -0.046 0.000 1.224 574 D CA -0.276 53.701 54.000 -0.038 0.000 0.879 574 D CB 0.550 41.327 40.800 -0.038 0.000 1.057 574 D HN 0.497 nan 8.370 nan 0.000 0.491 575 L N 1.949 123.134 121.223 -0.064 0.000 2.577 575 L HA 0.290 4.630 4.340 -0.000 0.000 0.225 575 L C 1.889 178.674 176.870 -0.142 0.000 1.053 575 L CA 0.596 55.399 54.840 -0.061 0.000 0.866 575 L CB -1.117 40.940 42.059 -0.003 0.000 1.132 575 L HN 0.338 nan 8.230 nan 0.000 0.486 576 T N -3.753 110.630 114.554 -0.284 0.000 3.088 576 T HA 0.065 4.415 4.350 -0.000 0.000 0.259 576 T C 1.109 175.594 174.700 -0.358 0.000 1.122 576 T CA 0.830 62.544 62.100 -0.643 0.000 1.095 576 T CB -0.359 67.888 68.868 -1.035 0.000 0.930 576 T HN 0.545 nan 8.240 nan 0.000 0.508 577 Q N 0.353 120.039 119.800 -0.190 0.000 2.324 577 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 577 Q C -0.759 175.191 176.000 -0.084 0.000 0.645 577 Q CA 1.149 56.892 55.803 -0.100 0.000 1.377 577 Q CB -1.931 26.773 28.738 -0.057 0.000 1.486 577 Q HN 0.935 nan 8.270 nan 0.000 0.796 578 D N -0.450 119.878 120.400 -0.120 0.000 2.414 578 D HA 0.262 4.902 4.640 -0.000 0.000 0.242 578 D C 1.388 177.648 176.300 -0.066 0.000 1.129 578 D CA 0.610 54.564 54.000 -0.076 0.000 0.885 578 D CB 0.480 41.233 40.800 -0.078 0.000 1.198 578 D HN 0.108 nan 8.370 nan 0.000 0.437 579 G N 1.519 110.295 108.800 -0.041 0.000 2.628 579 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.217 579 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.217 579 G C 0.577 175.457 174.900 -0.033 0.000 1.240 579 G CA 0.756 45.836 45.100 -0.033 0.000 0.792 579 G HN 0.529 nan 8.290 nan 0.000 0.593 580 L N 0.870 122.076 121.223 -0.028 0.000 2.476 580 L HA 0.374 4.714 4.340 -0.000 0.000 0.264 580 L C 1.211 178.066 176.870 -0.025 0.000 1.224 580 L CA -0.632 54.197 54.840 -0.020 0.000 0.821 580 L CB 0.948 43.000 42.059 -0.011 0.000 1.101 580 L HN 0.417 nan 8.230 nan 0.000 0.488 581 V N -0.034 119.871 119.914 -0.014 0.000 3.524 581 V HA 0.195 4.315 4.120 -0.000 0.000 0.303 581 V C -0.170 175.915 176.094 -0.015 0.000 1.130 581 V CA -0.369 61.923 62.300 -0.012 0.000 1.225 581 V CB 0.134 31.958 31.823 0.001 0.000 1.056 581 V HN 0.794 nan 8.190 nan 0.000 0.495 582 D N 0.453 120.848 120.400 -0.009 0.000 2.523 582 D HA 0.727 5.367 4.640 -0.000 0.000 0.236 582 D C -1.120 175.192 176.300 0.020 0.000 1.094 582 D CA -0.354 53.644 54.000 -0.002 0.000 0.942 582 D CB 2.151 42.942 40.800 -0.016 0.000 1.447 582 D HN 0.709 nan 8.370 nan 0.000 0.479 583 L N 0.552 121.794 121.223 0.033 0.000 2.362 583 L HA 0.787 5.127 4.340 -0.000 0.000 0.271 583 L C -1.433 175.477 176.870 0.067 0.000 1.002 583 L CA -0.648 54.219 54.840 0.046 0.000 0.818 583 L CB 1.750 43.837 42.059 0.047 0.000 1.298 583 L HN 0.459 nan 8.230 nan 0.000 0.420 584 A N 4.650 127.512 122.820 0.069 0.000 2.311 584 A HA 0.762 5.082 4.320 -0.000 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 1.245 20.306 19.000 0.102 0.000 1.172 584 A HN 0.495 nan 8.150 nan 0.000 0.481 585 V N 2.623 122.588 119.914 0.084 0.000 2.407 585 V HA 0.613 4.733 4.120 -0.000 0.000 0.291 585 V C 0.899 177.035 176.094 0.069 0.000 1.018 585 V CA -0.286 62.032 62.300 0.030 0.000 0.842 585 V CB 1.554 33.373 31.823 -0.007 0.000 0.996 585 V HN 1.098 nan 8.190 nan 0.000 0.426 586 G N 3.274 112.086 108.800 0.019 0.000 2.444 586 G HA2 0.680 4.640 3.960 -0.000 0.000 0.268 586 G HA3 0.680 4.640 3.960 -0.000 0.000 0.268 586 G C -0.255 174.693 174.900 0.079 0.000 1.203 586 G CA 0.339 45.466 45.100 0.045 0.000 0.835 586 G HN 1.157 nan 8.290 nan 0.000 0.543 587 A N 2.055 124.962 122.820 0.145 0.000 2.566 587 A HA 0.759 5.079 4.320 -0.000 0.000 0.292 587 A C 0.125 177.783 177.584 0.123 0.000 1.112 587 A CA -0.919 51.226 52.037 0.180 0.000 0.707 587 A CB 1.165 20.342 19.000 0.294 0.000 1.302 587 A HN 0.778 nan 8.150 nan 0.000 0.409 588 R N 0.286 120.801 120.500 0.025 0.000 2.457 588 R HA 0.366 4.706 4.340 -0.000 0.000 0.335 588 R C 1.231 177.556 176.300 0.041 0.000 1.003 588 R CA 1.877 57.959 56.100 -0.030 0.000 1.003 588 R CB -0.533 29.558 30.300 -0.348 0.000 0.950 588 R HN 1.920 nan 8.270 nan 0.000 0.428 589 G N 2.806 111.703 108.800 0.163 0.000 2.490 589 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.214 589 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.214 589 G C -0.296 174.774 174.900 0.283 0.000 1.151 589 G CA 0.313 45.518 45.100 0.174 0.000 0.684 589 G HN 0.681 nan 8.290 nan 0.000 0.518 590 Q N -0.674 119.289 119.800 0.271 0.000 2.544 590 Q HA 0.801 5.141 4.340 -0.000 0.000 0.291 590 Q C -1.591 174.606 176.000 0.327 0.000 1.068 590 Q CA -0.808 55.189 55.803 0.324 0.000 0.785 590 Q CB 2.871 31.703 28.738 0.155 0.000 1.481 590 Q HN 1.026 nan 8.270 nan 0.000 0.430 591 V N 1.829 121.960 119.914 0.362 0.000 2.638 591 V HA 0.539 4.659 4.120 -0.000 0.000 0.306 591 V C -1.691 174.556 176.094 0.255 0.000 1.052 591 V CA -0.656 61.811 62.300 0.278 0.000 0.885 591 V CB 1.832 33.798 31.823 0.238 0.000 0.999 591 V HN 0.761 nan 8.190 nan 0.000 0.424 592 L N 6.295 127.640 121.223 0.204 0.000 2.334 592 L HA 0.657 4.997 4.340 -0.000 0.000 0.270 592 L C -0.450 176.504 176.870 0.141 0.000 1.018 592 L CA -0.287 54.637 54.840 0.140 0.000 0.811 592 L CB 1.790 43.928 42.059 0.131 0.000 1.271 592 L HN 0.538 nan 8.230 nan 0.000 0.443 593 L N 2.847 124.126 121.223 0.092 0.000 2.349 593 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 593 L C -1.360 175.549 176.870 0.065 0.000 0.996 593 L CA -0.598 54.298 54.840 0.094 0.000 0.825 593 L CB 1.612 43.737 42.059 0.110 0.000 1.243 593 L HN 0.303 nan 8.230 nan 0.000 0.412 594 L N 4.690 125.953 121.223 0.066 0.000 2.280 594 L HA 0.480 4.820 4.340 -0.000 0.000 0.287 594 L C 0.237 177.125 176.870 0.030 0.000 1.023 594 L CA -0.108 54.762 54.840 0.050 0.000 0.819 594 L CB 1.329 43.428 42.059 0.066 0.000 1.212 594 L HN 0.457 nan 8.230 nan 0.000 0.420 595 R N 0.678 121.187 120.500 0.014 0.000 2.577 595 R HA 0.587 4.926 4.340 -0.000 0.000 0.269 595 R C -0.140 176.162 176.300 0.003 0.000 1.084 595 R CA -0.611 55.486 56.100 -0.005 0.000 1.163 595 R CB 0.664 30.950 30.300 -0.024 0.000 1.100 595 R HN 0.626 nan 8.270 nan 0.000 0.547 596 T N 0.259 114.810 114.554 -0.005 0.000 2.753 596 T HA 0.293 4.643 4.350 -0.000 0.000 0.297 596 T C 0.209 174.910 174.700 0.001 0.000 0.981 596 T CA -1.094 61.003 62.100 -0.006 0.000 0.956 596 T CB 0.742 69.602 68.868 -0.014 0.000 0.936 596 T HN 0.208 nan 8.240 nan 0.000 0.463 597 R N 3.695 124.203 120.500 0.013 0.000 2.449 597 R HA 0.239 4.579 4.340 -0.000 0.000 0.296 597 R C -2.647 173.675 176.300 0.037 0.000 1.047 597 R CA -2.471 53.646 56.100 0.030 0.000 1.018 597 R CB -0.269 30.060 30.300 0.047 0.000 0.962 597 R HN 0.477 nan 8.270 nan 0.000 0.428 598 P HA -0.069 nan 4.420 nan 0.000 0.260 598 P C -0.227 177.127 177.300 0.090 0.000 1.185 598 P CA 0.156 63.283 63.100 0.045 0.000 0.763 598 P CB 0.370 32.085 31.700 0.026 0.000 0.776 599 V N 3.017 123.011 119.914 0.134 0.000 2.294 599 V HA 0.473 4.593 4.120 -0.000 0.000 0.272 599 V C -0.291 175.952 176.094 0.249 0.000 1.027 599 V CA -1.033 61.420 62.300 0.255 0.000 0.823 599 V CB 0.116 32.179 31.823 0.399 0.000 1.030 599 V HN 0.184 nan 8.190 nan 0.000 0.457 600 L N 3.599 124.911 121.223 0.148 0.000 2.334 600 L HA 1.013 5.353 4.340 -0.000 0.000 0.275 600 L C -0.303 176.687 176.870 0.201 0.000 1.036 600 L CA -1.060 53.769 54.840 -0.019 0.000 0.807 600 L CB 0.742 42.751 42.059 -0.083 0.000 1.231 600 L HN 0.857 nan 8.230 nan 0.000 0.438 601 W N 1.011 122.344 121.300 0.056 0.000 2.902 601 W HA 0.895 5.555 4.660 -0.000 0.000 0.346 601 W C -1.548 174.985 176.519 0.025 0.000 1.139 601 W CA -1.437 55.950 57.345 0.071 0.000 1.139 601 W CB 1.090 30.597 29.460 0.079 0.000 1.439 601 W HN 0.536 nan 8.180 nan 0.000 0.558 602 V N 1.559 121.622 119.914 0.248 0.000 2.914 602 V HA 0.941 5.061 4.120 -0.000 0.000 0.314 602 V C -0.271 175.787 176.094 -0.061 0.000 1.084 602 V CA -0.622 61.662 62.300 -0.026 0.000 0.963 602 V CB 1.782 33.604 31.823 -0.001 0.000 1.025 602 V HN 1.088 nan 8.190 nan 0.000 0.432 603 G N 2.649 111.169 108.800 -0.465 0.000 2.400 603 G HA2 0.658 4.618 3.960 -0.000 0.000 0.333 603 G HA3 0.658 4.618 3.960 -0.000 0.000 0.333 603 G C -1.379 173.378 174.900 -0.238 0.000 1.143 603 G CA -0.402 44.454 45.100 -0.406 0.000 0.914 603 G HN 1.138 nan 8.290 nan 0.000 0.480 604 V N 0.720 120.532 119.914 -0.170 0.000 2.962 604 V HA 0.870 4.990 4.120 -0.000 0.000 0.313 604 V C -0.429 175.601 176.094 -0.107 0.000 1.099 604 V CA -0.429 61.786 62.300 -0.142 0.000 0.971 604 V CB 2.449 34.055 31.823 -0.362 0.000 1.028 604 V HN 1.293 nan 8.190 nan 0.000 0.430 605 S N 6.237 121.903 115.700 -0.055 0.000 2.521 605 S HA 0.839 5.309 4.470 -0.000 0.000 0.295 605 S C -0.919 173.635 174.600 -0.077 0.000 1.098 605 S CA -0.809 57.349 58.200 -0.070 0.000 0.999 605 S CB 1.757 64.913 63.200 -0.073 0.000 1.034 605 S HN 0.737 nan 8.310 nan 0.000 0.483 606 M N 2.258 121.806 119.600 -0.087 0.000 2.395 606 M HA 0.542 5.022 4.480 -0.000 0.000 0.307 606 M C -0.814 175.369 176.300 -0.195 0.000 1.091 606 M CA -0.262 54.955 55.300 -0.137 0.000 0.919 606 M CB 2.535 35.067 32.600 -0.113 0.000 1.662 606 M HN 0.922 nan 8.290 nan 0.000 0.440 607 Q N 1.598 121.209 119.800 -0.315 0.000 2.435 607 Q HA 0.543 4.883 4.340 -0.000 0.000 0.282 607 Q C -2.061 173.673 176.000 -0.443 0.000 1.020 607 Q CA -0.583 55.049 55.803 -0.285 0.000 0.820 607 Q CB 2.425 31.095 28.738 -0.114 0.000 1.436 607 Q HN 0.643 nan 8.270 nan 0.000 0.395 608 F N 3.418 123.387 119.950 0.032 0.000 2.366 608 F HA 0.386 4.913 4.527 -0.000 0.000 0.366 608 F C 1.131 176.936 175.800 0.008 0.000 1.096 608 F CA -0.558 57.456 58.000 0.024 0.000 1.060 608 F CB 0.585 39.590 39.000 0.008 0.000 1.282 608 F HN 0.633 nan 8.300 nan 0.000 0.450 609 I N 2.582 123.239 120.570 0.145 0.000 2.093 609 I HA -0.240 3.929 4.170 -0.000 0.000 0.239 609 I C -1.090 175.074 176.117 0.079 0.000 1.026 609 I CA 1.203 62.551 61.300 0.080 0.000 1.295 609 I CB -1.010 37.022 38.000 0.054 0.000 1.007 609 I HN 0.312 nan 8.210 nan 0.000 0.401 610 P HA 0.061 nan 4.420 nan 0.000 0.268 610 P C 0.265 177.597 177.300 0.053 0.000 1.282 610 P CA 0.302 63.428 63.100 0.043 0.000 0.880 610 P CB 0.903 32.610 31.700 0.011 0.000 0.971 611 A N 4.846 127.697 122.820 0.051 0.000 1.863 611 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 611 A C 1.073 178.668 177.584 0.018 0.000 1.233 611 A CA 1.792 53.865 52.037 0.061 0.000 0.655 611 A CB -0.720 18.305 19.000 0.042 0.000 0.839 611 A HN 0.615 nan 8.150 nan 0.000 0.454 612 E N -2.036 118.147 120.200 -0.028 0.000 2.538 612 E HA 0.717 5.067 4.350 -0.000 0.000 0.232 612 E C -0.995 175.523 176.600 -0.136 0.000 0.830 612 E CA -1.039 55.306 56.400 -0.091 0.000 0.916 612 E CB 0.832 30.510 29.700 -0.037 0.000 1.567 612 E HN 0.263 nan 8.360 nan 0.000 0.389 613 I N 1.138 121.607 120.570 -0.167 0.000 2.377 613 I HA 0.231 4.401 4.170 -0.000 0.000 0.293 613 I C -1.998 174.094 176.117 -0.041 0.000 0.987 613 I CA -2.418 58.798 61.300 -0.141 0.000 1.185 613 I CB 2.048 39.899 38.000 -0.249 0.000 1.341 613 I HN 0.388 nan 8.210 nan 0.000 0.455 614 P HA 0.021 nan 4.420 nan 0.000 0.249 614 P C 0.618 177.907 177.300 -0.017 0.000 1.241 614 P CA 0.174 63.263 63.100 -0.019 0.000 0.781 614 P CB 0.093 31.786 31.700 -0.012 0.000 1.088 615 R N -1.920 118.589 120.500 0.016 0.000 3.922 615 R HA -0.204 4.135 4.340 -0.000 0.000 0.447 615 R C 1.153 177.515 176.300 0.105 0.000 1.035 615 R CA 1.006 57.110 56.100 0.006 0.000 1.289 615 R CB -2.187 27.997 30.300 -0.193 0.000 1.906 615 R HN 0.104 nan 8.270 nan 0.000 0.540 616 S N -0.200 115.547 115.700 0.078 0.000 2.335 616 S HA -0.005 4.465 4.470 -0.000 0.000 0.216 616 S C 1.244 175.904 174.600 0.099 0.000 1.032 616 S CA 1.280 59.520 58.200 0.068 0.000 1.000 616 S CB 0.023 63.244 63.200 0.036 0.000 0.928 616 S HN 0.566 nan 8.310 nan 0.000 0.434 617 A N 0.340 123.220 122.820 0.100 0.000 3.105 617 A HA 0.480 4.800 4.320 -0.000 0.000 0.272 617 A C 0.575 178.242 177.584 0.137 0.000 1.466 617 A CA -0.463 51.626 52.037 0.087 0.000 1.101 617 A CB -0.679 18.346 19.000 0.042 0.000 1.065 617 A HN 0.437 nan 8.150 nan 0.000 0.643 618 F N -0.193 119.776 119.950 0.032 0.000 2.350 618 F HA 0.188 4.715 4.527 -0.000 0.000 0.253 618 F C 1.824 177.643 175.800 0.031 0.000 1.088 618 F CA 1.324 59.357 58.000 0.054 0.000 1.037 618 F CB 0.171 39.205 39.000 0.056 0.000 1.107 618 F HN 0.314 nan 8.300 nan 0.000 0.603 619 E N 0.249 120.597 120.200 0.246 0.000 2.371 619 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 619 E C 0.834 177.454 176.600 0.033 0.000 1.012 619 E CA 0.589 57.025 56.400 0.060 0.000 0.860 619 E CB 0.060 29.915 29.700 0.260 0.000 0.811 619 E HN 0.615 nan 8.360 nan 0.000 0.502 620 c N -0.978 117.663 118.600 0.068 0.000 0.168 620 c HA -0.239 4.331 4.570 -0.000 0.000 0.017 620 c C -0.013 174.094 174.090 0.028 0.000 0.171 620 c CA -0.101 56.249 56.329 0.035 0.000 0.499 620 c CB -0.731 41.780 42.510 0.001 0.000 3.212 620 c HN 0.604 nan 8.230 nan 0.000 1.118 621 R N -0.288 120.221 120.500 0.016 0.000 2.855 621 R HA 0.531 4.871 4.340 -0.000 0.000 0.274 621 R C -1.220 175.084 176.300 0.007 0.000 0.997 621 R CA -0.059 56.048 56.100 0.013 0.000 0.856 621 R CB 0.541 30.853 30.300 0.019 0.000 1.378 621 R HN 0.898 nan 8.270 nan 0.000 0.462 622 E N 0.997 121.201 120.200 0.006 0.000 3.625 622 E HA 0.055 4.405 4.350 -0.000 0.000 0.166 622 E C -1.308 175.294 176.600 0.003 0.000 0.978 622 E CA -0.117 56.285 56.400 0.003 0.000 1.429 622 E CB 1.461 31.161 29.700 -0.000 0.000 1.100 622 E HN 0.443 nan 8.360 nan 0.000 0.428 623 Q N 0.735 120.538 119.800 0.005 0.000 2.293 623 Q HA 0.560 4.900 4.340 -0.000 0.000 0.261 623 Q C 0.733 176.736 176.000 0.005 0.000 0.960 623 Q CA -0.479 55.327 55.803 0.005 0.000 0.882 623 Q CB 1.839 30.581 28.738 0.005 0.000 1.275 623 Q HN 0.028 nan 8.270 nan 0.000 0.445 624 V N -1.067 118.849 119.914 0.004 0.000 0.691 624 V HA -0.282 3.838 4.120 -0.000 0.000 0.092 624 V C 0.267 176.364 176.094 0.004 0.000 0.769 624 V CA 0.553 62.856 62.300 0.005 0.000 3.097 624 V CB -2.364 29.462 31.823 0.006 0.000 0.181 624 V HN 1.398 nan 8.190 nan 0.000 0.065 625 V N -1.909 118.008 119.914 0.005 0.000 3.036 625 V HA 0.790 4.910 4.120 -0.000 0.000 0.308 625 V C 0.727 176.824 176.094 0.004 0.000 1.070 625 V CA 0.224 62.527 62.300 0.005 0.000 1.056 625 V CB 1.304 33.131 31.823 0.006 0.000 1.084 625 V HN 1.648 nan 8.190 nan 0.000 0.471 626 S N 1.947 117.648 115.700 0.003 0.000 2.429 626 S HA 0.189 4.659 4.470 -0.000 0.000 0.292 626 S C 0.115 174.718 174.600 0.005 0.000 1.183 626 S CA -0.043 58.159 58.200 0.002 0.000 1.088 626 S CB -0.607 62.593 63.200 -0.000 0.000 1.018 626 S HN 0.834 nan 8.310 nan 0.000 0.511 627 E N 3.356 123.560 120.200 0.007 0.000 1.936 627 E HA 0.064 4.414 4.350 -0.000 0.000 0.267 627 E C -0.315 176.289 176.600 0.008 0.000 1.076 627 E CA -0.209 56.196 56.400 0.009 0.000 0.870 627 E CB 0.441 30.148 29.700 0.011 0.000 1.093 627 E HN 0.589 nan 8.360 nan 0.000 0.411 628 Q N 1.946 121.749 119.800 0.005 0.000 2.300 628 Q HA 0.063 4.403 4.340 -0.000 0.000 0.262 628 Q C 0.037 176.038 176.000 0.002 0.000 1.109 628 Q CA 0.146 55.950 55.803 0.001 0.000 0.905 628 Q CB 0.579 29.317 28.738 -0.000 0.000 1.280 628 Q HN 0.335 nan 8.270 nan 0.000 0.426 629 T N 2.295 116.848 114.554 -0.001 0.000 2.908 629 T HA 0.033 4.383 4.350 -0.000 0.000 0.325 629 T C -0.259 174.437 174.700 -0.007 0.000 1.092 629 T CA 0.053 62.151 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 0.306 nan 8.240 nan 0.000 0.550 630 L N 4.936 126.159 121.223 -0.000 0.000 2.337 630 L HA 0.498 4.838 4.340 -0.000 0.000 0.269 630 L C -0.684 176.193 176.870 0.012 0.000 1.018 630 L CA -0.331 54.515 54.840 0.010 0.000 0.876 630 L CB 0.687 42.759 42.059 0.021 0.000 1.236 630 L HN 0.384 nan 8.230 nan 0.000 0.436 631 V N 4.260 124.177 119.914 0.006 0.000 2.644 631 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 631 V C 0.113 176.260 176.094 0.088 0.000 1.053 631 V CA -0.527 61.785 62.300 0.021 0.000 0.987 631 V CB 1.573 33.374 31.823 -0.036 0.000 1.006 631 V HN 0.669 nan 8.190 nan 0.000 0.472 632 Q N 1.668 121.542 119.800 0.122 0.000 2.312 632 Q HA 0.514 4.854 4.340 -0.000 0.000 0.263 632 Q C -0.756 175.389 176.000 0.243 0.000 0.995 632 Q CA -0.275 55.622 55.803 0.157 0.000 0.853 632 Q CB 2.120 30.913 28.738 0.092 0.000 1.300 632 Q HN 0.716 nan 8.270 nan 0.000 0.448 633 S N 2.722 118.587 115.700 0.275 0.000 2.640 633 S HA 0.303 4.773 4.470 -0.000 0.000 0.320 633 S C -1.070 173.603 174.600 0.123 0.000 1.097 633 S CA -0.689 57.643 58.200 0.220 0.000 1.092 633 S CB 0.527 63.950 63.200 0.372 0.000 0.988 633 S HN 0.586 nan 8.310 nan 0.000 0.470 634 N N 5.466 124.155 118.700 -0.018 0.000 2.444 634 N HA 0.456 5.196 4.740 -0.000 0.000 0.262 634 N C -1.001 174.480 175.510 -0.047 0.000 0.974 634 N CA -0.322 52.709 53.050 -0.031 0.000 0.933 634 N CB 0.605 39.055 38.487 -0.062 0.000 1.137 634 N HN 0.668 nan 8.380 nan 0.000 0.498 635 I N 1.798 122.383 120.570 0.025 0.000 2.603 635 I HA 0.483 4.653 4.170 -0.000 0.000 0.300 635 I C -0.292 175.839 176.117 0.023 0.000 1.017 635 I CA -0.814 60.503 61.300 0.028 0.000 1.098 635 I CB 1.889 39.954 38.000 0.107 0.000 1.279 635 I HN 0.320 nan 8.210 nan 0.000 0.437 636 c N 5.168 123.772 118.600 0.005 0.000 2.802 636 c HA 0.723 5.293 4.570 -0.000 0.000 0.307 636 c C -0.507 173.622 174.090 0.065 0.000 1.222 636 c CA -0.782 55.560 56.329 0.021 0.000 1.580 636 c CB 1.792 44.278 42.510 -0.040 0.000 2.119 636 c HN 0.560 nan 8.230 nan 0.000 0.479 637 L N 2.758 124.055 121.223 0.122 0.000 2.438 637 L HA 0.640 4.980 4.340 -0.000 0.000 0.270 637 L C -1.145 175.848 176.870 0.206 0.000 0.972 637 L CA -0.482 54.424 54.840 0.111 0.000 0.831 637 L CB 1.395 43.438 42.059 -0.027 0.000 1.273 637 L HN 0.898 nan 8.230 nan 0.000 0.405 638 Y N 2.507 122.775 120.300 -0.052 0.000 2.513 638 Y HA 0.807 5.357 4.550 0.000 0.000 0.340 638 Y C -1.019 174.857 175.900 -0.039 0.000 1.055 638 Y CA -1.365 56.715 58.100 -0.034 0.000 1.020 638 Y CB 1.390 39.831 38.460 -0.033 0.000 1.301 638 Y HN 0.414 nan 8.280 nan 0.000 0.453 639 I N 1.337 121.805 120.570 -0.170 0.000 2.441 639 I HA 0.533 4.703 4.170 -0.000 0.000 0.295 639 I C -0.593 175.395 176.117 -0.216 0.000 0.994 639 I CA -0.608 60.530 61.300 -0.270 0.000 1.144 639 I CB 2.142 40.039 38.000 -0.171 0.000 1.314 639 I HN 0.891 nan 8.210 nan 0.000 0.445 640 D N 3.620 123.843 120.400 -0.295 0.000 2.403 640 D HA 0.027 4.667 4.640 -0.000 0.000 0.280 640 D C 0.315 176.485 176.300 -0.216 0.000 1.091 640 D CA 0.033 53.930 54.000 -0.172 0.000 0.884 640 D CB 0.432 41.177 40.800 -0.091 0.000 1.427 640 D HN 0.499 nan 8.370 nan 0.000 0.504 641 K N 1.155 121.299 120.400 -0.427 0.000 2.268 641 K HA 0.283 4.603 4.320 -0.000 0.000 0.276 641 K C 0.984 177.289 176.600 -0.492 0.000 1.080 641 K CA -0.364 55.639 56.287 -0.474 0.000 0.910 641 K CB 0.880 32.953 32.500 -0.711 0.000 1.163 641 K HN 0.078 nan 8.250 nan 0.000 0.465 642 R N 1.571 121.919 120.500 -0.254 0.000 2.591 642 R HA 0.005 4.345 4.340 -0.000 0.000 0.288 642 R C 0.914 177.152 176.300 -0.103 0.000 0.947 642 R CA 0.615 56.608 56.100 -0.179 0.000 1.085 642 R CB -0.167 30.055 30.300 -0.130 0.000 1.618 642 R HN 0.503 nan 8.270 nan 0.000 0.524 643 S N 2.839 118.494 115.700 -0.074 0.000 2.389 643 S HA -0.322 4.147 4.470 -0.000 0.000 0.231 643 S C 1.907 176.493 174.600 -0.023 0.000 1.052 643 S CA 1.771 59.952 58.200 -0.032 0.000 1.053 643 S CB -0.398 62.799 63.200 -0.006 0.000 0.886 643 S HN 0.648 nan 8.310 nan 0.000 0.456 644 K N 1.707 122.095 120.400 -0.020 0.000 2.007 644 K HA 0.015 4.335 4.320 -0.000 0.000 0.206 644 K C 1.616 178.205 176.600 -0.019 0.000 1.047 644 K CA 1.357 57.638 56.287 -0.009 0.000 0.937 644 K CB -0.581 31.924 32.500 0.007 0.000 0.718 644 K HN 0.256 nan 8.250 nan 0.000 0.438 645 N N 1.183 119.863 118.700 -0.033 0.000 2.459 645 N HA 0.075 4.815 4.740 -0.000 0.000 0.181 645 N C 0.400 175.891 175.510 -0.032 0.000 1.046 645 N CA 0.619 53.649 53.050 -0.032 0.000 0.904 645 N CB -0.443 38.019 38.487 -0.042 0.000 0.964 645 N HN 0.218 nan 8.380 nan 0.000 0.444 646 L N -0.971 120.232 121.223 -0.035 0.000 0.600 646 L HA -0.290 4.050 4.340 -0.000 0.000 0.356 646 L C 0.260 177.112 176.870 -0.030 0.000 1.022 646 L CA -0.047 54.776 54.840 -0.029 0.000 1.223 646 L CB -0.592 41.455 42.059 -0.021 0.000 0.047 646 L HN 0.063 nan 8.230 nan 0.000 0.094 647 L N 0.012 121.221 121.223 -0.024 0.000 2.444 647 L HA 0.475 4.815 4.340 -0.000 0.000 0.251 647 L C 1.211 178.068 176.870 -0.020 0.000 1.247 647 L CA 0.971 55.798 54.840 -0.022 0.000 0.825 647 L CB -0.113 41.936 42.059 -0.017 0.000 1.129 647 L HN 0.953 nan 8.230 nan 0.000 0.527 648 G N -0.174 108.615 108.800 -0.018 0.000 2.685 648 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.387 648 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.387 648 G C -0.410 174.479 174.900 -0.020 0.000 1.324 648 G CA -0.501 44.589 45.100 -0.017 0.000 0.878 648 G HN 0.660 nan 8.290 nan 0.000 0.527 649 S N -0.072 115.617 115.700 -0.019 0.000 2.558 649 S HA 0.202 4.672 4.470 -0.000 0.000 0.297 649 S C 1.500 176.085 174.600 -0.025 0.000 1.283 649 S CA 1.752 59.938 58.200 -0.023 0.000 1.044 649 S CB 0.689 63.875 63.200 -0.023 0.000 0.789 649 S HN 1.774 nan 8.310 nan 0.000 0.500 650 R N 1.125 121.608 120.500 -0.028 0.000 1.190 650 R HA -0.260 4.080 4.340 -0.000 0.000 0.019 650 R C 1.148 177.432 176.300 -0.027 0.000 0.960 650 R CA 1.701 57.785 56.100 -0.026 0.000 1.987 650 R CB -1.817 28.469 30.300 -0.023 0.000 0.132 650 R HN 0.675 nan 8.270 nan 0.000 0.732 651 D N 0.167 120.549 120.400 -0.030 0.000 2.271 651 D HA -0.085 4.555 4.640 -0.000 0.000 0.207 651 D C 1.359 177.637 176.300 -0.037 0.000 0.983 651 D CA 1.729 55.706 54.000 -0.039 0.000 0.878 651 D CB 0.106 40.881 40.800 -0.042 0.000 0.920 651 D HN 0.263 nan 8.370 nan 0.000 0.479 652 L N -0.048 121.158 121.223 -0.028 0.000 2.597 652 L HA 0.203 4.543 4.340 -0.000 0.000 0.188 652 L C 0.995 177.853 176.870 -0.020 0.000 1.333 652 L CA 0.278 55.105 54.840 -0.022 0.000 1.543 652 L CB -1.317 40.732 42.059 -0.017 0.000 1.504 652 L HN -0.044 nan 8.230 nan 0.000 0.813 653 Q N 1.125 120.912 119.800 -0.021 0.000 2.308 653 Q HA 0.144 4.484 4.340 -0.000 0.000 0.313 653 Q C -0.917 175.069 176.000 -0.023 0.000 1.075 653 Q CA 0.521 56.311 55.803 -0.022 0.000 0.995 653 Q CB 0.259 28.981 28.738 -0.027 0.000 1.107 653 Q HN 0.575 nan 8.270 nan 0.000 0.380 654 S N 1.780 117.467 115.700 -0.021 0.000 2.543 654 S HA 0.483 4.953 4.470 -0.000 0.000 0.274 654 S C -1.147 173.442 174.600 -0.019 0.000 1.149 654 S CA -1.008 57.183 58.200 -0.016 0.000 0.866 654 S CB 1.843 65.042 63.200 -0.002 0.000 1.111 654 S HN 0.434 nan 8.310 nan 0.000 0.457 655 S N 0.740 116.431 115.700 -0.015 0.000 2.654 655 S HA 0.872 5.342 4.470 -0.000 0.000 0.283 655 S C -0.701 173.901 174.600 0.003 0.000 1.180 655 S CA -0.606 57.584 58.200 -0.017 0.000 1.021 655 S CB 1.346 64.537 63.200 -0.016 0.000 1.018 655 S HN 0.818 nan 8.310 nan 0.000 0.532 656 V N 1.588 121.504 119.914 0.003 0.000 2.888 656 V HA 0.501 4.621 4.120 -0.000 0.000 0.309 656 V C -0.406 175.711 176.094 0.039 0.000 1.114 656 V CA -1.007 61.319 62.300 0.043 0.000 0.940 656 V CB 2.448 34.317 31.823 0.076 0.000 1.021 656 V HN 1.009 nan 8.190 nan 0.000 0.426 657 T N 2.622 117.210 114.554 0.057 0.000 2.744 657 T HA 0.794 5.144 4.350 -0.000 0.000 0.291 657 T C -0.666 174.081 174.700 0.079 0.000 0.957 657 T CA -0.459 61.667 62.100 0.045 0.000 1.002 657 T CB 0.728 69.610 68.868 0.024 0.000 0.919 657 T HN 0.364 nan 8.240 nan 0.000 0.468 658 L N 2.782 124.037 121.223 0.054 0.000 2.325 658 L HA 0.590 4.930 4.340 -0.000 0.000 0.278 658 L C -0.505 176.366 176.870 0.002 0.000 1.023 658 L CA -0.813 54.063 54.840 0.060 0.000 0.811 658 L CB 1.473 43.552 42.059 0.033 0.000 1.249 658 L HN 0.632 nan 8.230 nan 0.000 0.431 659 D N 3.572 123.989 120.400 0.029 0.000 2.363 659 D HA 0.361 5.001 4.640 -0.000 0.000 0.258 659 D C -0.612 175.706 176.300 0.029 0.000 1.259 659 D CA -0.192 53.811 54.000 0.006 0.000 0.921 659 D CB 1.091 41.921 40.800 0.050 0.000 1.201 659 D HN 0.196 nan 8.370 nan 0.000 0.524 660 L N 0.906 122.085 121.223 -0.075 0.000 2.371 660 L HA 0.766 5.106 4.340 -0.000 0.000 0.272 660 L C 0.427 177.403 176.870 0.176 0.000 1.124 660 L CA -0.621 54.232 54.840 0.021 0.000 0.816 660 L CB 0.993 42.953 42.059 -0.165 0.000 1.129 660 L HN 0.260 nan 8.230 nan 0.000 0.448 661 A N 3.796 126.771 122.820 0.258 0.000 2.488 661 A HA 0.733 5.053 4.320 -0.000 0.000 0.295 661 A C -1.184 176.508 177.584 0.179 0.000 1.045 661 A CA -0.519 51.658 52.037 0.234 0.000 0.703 661 A CB 1.258 20.340 19.000 0.138 0.000 1.271 661 A HN 0.481 nan 8.150 nan 0.000 0.400 662 L N 1.309 122.598 121.223 0.111 0.000 2.322 662 L HA 0.533 4.872 4.340 -0.000 0.000 0.279 662 L C -0.052 176.833 176.870 0.025 0.000 1.036 662 L CA -0.139 54.724 54.840 0.039 0.000 0.807 662 L CB 0.838 42.846 42.059 -0.086 0.000 1.226 662 L HN 0.705 nan 8.230 nan 0.000 0.433 663 D N 1.683 122.100 120.400 0.029 0.000 2.829 663 D HA -0.175 4.465 4.640 -0.000 0.000 0.219 663 D C -1.762 174.545 176.300 0.012 0.000 1.239 663 D CA 0.311 54.323 54.000 0.019 0.000 0.685 663 D CB -0.371 40.433 40.800 0.006 0.000 0.950 663 D HN 0.399 nan 8.370 nan 0.000 0.398 664 P HA -0.063 nan 4.420 nan 0.000 0.215 664 P C 1.671 178.963 177.300 -0.013 0.000 1.157 664 P CA 1.520 64.622 63.100 0.003 0.000 0.859 664 P CB 0.135 31.830 31.700 -0.007 0.000 0.786 665 G N 0.040 108.829 108.800 -0.019 0.000 2.509 665 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 665 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 665 G C 0.630 175.516 174.900 -0.023 0.000 1.124 665 G CA 0.006 45.089 45.100 -0.027 0.000 0.776 665 G HN 0.326 nan 8.290 nan 0.000 0.547 666 R N -0.337 120.153 120.500 -0.017 0.000 2.604 666 R HA 0.481 4.821 4.340 -0.000 0.000 0.287 666 R C -0.314 175.976 176.300 -0.016 0.000 0.970 666 R CA -0.941 55.148 56.100 -0.019 0.000 0.946 666 R CB 1.062 31.350 30.300 -0.020 0.000 1.127 666 R HN -0.000 nan 8.270 nan 0.000 0.473 667 L N 2.003 123.215 121.223 -0.018 0.000 2.779 667 L HA 0.110 4.450 4.340 -0.000 0.000 0.239 667 L C -0.061 176.799 176.870 -0.017 0.000 1.245 667 L CA 0.014 54.844 54.840 -0.015 0.000 1.064 667 L CB 0.036 42.086 42.059 -0.015 0.000 1.350 667 L HN 0.778 nan 8.230 nan 0.000 0.455 668 S N -1.669 114.019 115.700 -0.019 0.000 2.204 668 S HA 0.382 4.852 4.470 -0.000 0.000 0.147 668 S C -2.580 172.007 174.600 -0.022 0.000 1.711 668 S CA -1.328 56.858 58.200 -0.023 0.000 1.274 668 S CB 0.560 63.742 63.200 -0.030 0.000 1.257 668 S HN -0.098 nan 8.310 nan 0.000 0.404 669 P HA 0.139 nan 4.420 nan 0.000 0.255 669 P C 0.426 177.708 177.300 -0.029 0.000 1.173 669 P CA 0.064 63.151 63.100 -0.022 0.000 0.780 669 P CB 0.316 32.005 31.700 -0.019 0.000 0.758 670 R N 2.406 122.890 120.500 -0.028 0.000 2.328 670 R HA 0.377 4.717 4.340 -0.000 0.000 0.200 670 R C 0.341 176.616 176.300 -0.042 0.000 0.983 670 R CA 0.406 56.495 56.100 -0.019 0.000 1.062 670 R CB -0.158 30.154 30.300 0.020 0.000 0.956 670 R HN 0.608 nan 8.270 nan 0.000 0.479 671 A N -2.165 120.611 122.820 -0.074 0.000 2.462 671 A HA 0.509 4.829 4.320 -0.000 0.000 0.299 671 A C -1.288 176.212 177.584 -0.140 0.000 1.047 671 A CA -0.257 51.713 52.037 -0.112 0.000 0.581 671 A CB 0.501 19.406 19.000 -0.158 0.000 1.466 671 A HN 0.188 nan 8.150 nan 0.000 0.616 672 T N -2.186 112.254 114.554 -0.190 0.000 2.957 672 T HA 0.628 4.978 4.350 -0.000 0.000 0.336 672 T C -0.833 173.737 174.700 -0.217 0.000 1.462 672 T CA -0.546 61.447 62.100 -0.179 0.000 1.073 672 T CB 0.391 69.237 68.868 -0.036 0.000 1.319 672 T HN 0.918 nan 8.240 nan 0.000 0.485 673 F N 1.570 121.539 119.950 0.033 0.000 2.410 673 F HA 0.412 4.939 4.527 -0.000 0.000 0.334 673 F C 2.181 178.012 175.800 0.052 0.000 1.134 673 F CA -0.491 57.539 58.000 0.049 0.000 1.227 673 F CB 0.951 39.965 39.000 0.024 0.000 1.194 673 F HN 0.779 nan 8.300 nan 0.000 0.571 674 Q N 0.846 120.805 119.800 0.263 0.000 2.123 674 Q HA -0.151 4.189 4.340 -0.000 0.000 0.196 674 Q C 1.890 177.981 176.000 0.152 0.000 0.958 674 Q CA 1.100 57.001 55.803 0.163 0.000 0.841 674 Q CB 0.019 28.838 28.738 0.135 0.000 0.915 674 Q HN 0.765 nan 8.270 nan 0.000 0.455 675 E N -0.387 119.921 120.200 0.180 0.000 2.171 675 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 675 E C 1.464 178.123 176.600 0.099 0.000 0.997 675 E CA 1.914 58.393 56.400 0.132 0.000 0.810 675 E CB -0.135 29.652 29.700 0.145 0.000 0.738 675 E HN 0.301 nan 8.360 nan 0.000 0.467 676 T N -2.384 112.238 114.554 0.113 0.000 2.954 676 T HA 0.162 4.512 4.350 -0.000 0.000 0.252 676 T C 0.800 175.555 174.700 0.092 0.000 0.983 676 T CA 0.673 62.824 62.100 0.085 0.000 0.941 676 T CB -0.125 68.782 68.868 0.065 0.000 1.141 676 T HN 0.268 nan 8.240 nan 0.000 0.500 677 K N -0.105 120.366 120.400 0.120 0.000 3.609 677 K HA -0.148 4.172 4.320 -0.000 0.000 0.277 677 K C -0.333 176.318 176.600 0.086 0.000 1.196 677 K CA 0.900 57.242 56.287 0.090 0.000 1.022 677 K CB -1.368 31.169 32.500 0.061 0.000 1.292 677 K HN 0.344 nan 8.250 nan 0.000 0.484 678 N N 0.292 119.059 118.700 0.112 0.000 2.347 678 N HA 0.109 4.849 4.740 -0.000 0.000 0.253 678 N C 0.813 176.398 175.510 0.126 0.000 1.274 678 N CA 0.359 53.471 53.050 0.102 0.000 0.941 678 N CB 0.493 39.039 38.487 0.099 0.000 1.200 678 N HN 0.280 nan 8.380 nan 0.000 0.514 679 R N -1.350 119.204 120.500 0.090 0.000 2.313 679 R HA 0.214 4.554 4.340 -0.000 0.000 0.199 679 R C -0.326 176.076 176.300 0.171 0.000 0.958 679 R CA 0.120 56.254 56.100 0.056 0.000 1.047 679 R CB -0.472 29.843 30.300 0.025 0.000 0.955 679 R HN 0.421 nan 8.270 nan 0.000 0.481 680 S N -0.707 115.173 115.700 0.300 0.000 2.615 680 S HA 0.714 5.184 4.470 -0.000 0.000 0.269 680 S C -1.112 173.596 174.600 0.180 0.000 1.161 680 S CA -0.808 57.614 58.200 0.371 0.000 0.817 680 S CB 1.527 64.834 63.200 0.178 0.000 1.131 680 S HN 0.338 nan 8.310 nan 0.000 0.467 681 L N -1.939 119.207 121.223 -0.129 0.000 2.671 681 L HA 1.005 5.345 4.340 -0.000 0.000 0.259 681 L C -0.929 175.779 176.870 -0.271 0.000 1.021 681 L CA -0.436 54.246 54.840 -0.265 0.000 0.871 681 L CB 1.511 43.260 42.059 -0.518 0.000 1.472 681 L HN 0.905 nan 8.230 nan 0.000 0.410 682 S N 0.380 115.971 115.700 -0.182 0.000 2.540 682 S HA 0.868 5.338 4.470 -0.000 0.000 0.275 682 S C -1.342 173.206 174.600 -0.087 0.000 1.123 682 S CA -0.660 57.464 58.200 -0.127 0.000 0.907 682 S CB 1.302 64.469 63.200 -0.056 0.000 1.081 682 S HN 0.829 nan 8.310 nan 0.000 0.476 683 R N 2.386 122.852 120.500 -0.056 0.000 2.535 683 R HA 0.396 4.736 4.340 -0.000 0.000 0.274 683 R C -1.682 174.628 176.300 0.017 0.000 1.090 683 R CA -0.750 55.351 56.100 0.001 0.000 0.930 683 R CB 1.951 32.284 30.300 0.054 0.000 1.223 683 R HN 0.455 nan 8.270 nan 0.000 0.441 684 V N 4.484 124.406 119.914 0.014 0.000 2.408 684 V HA 0.418 4.538 4.120 -0.000 0.000 0.267 684 V C 0.340 176.429 176.094 -0.008 0.000 1.047 684 V CA -0.179 62.124 62.300 0.004 0.000 0.937 684 V CB 0.760 32.584 31.823 0.002 0.000 0.999 684 V HN 0.599 nan 8.190 nan 0.000 0.472 685 R N 3.038 123.511 120.500 -0.044 0.000 2.867 685 R HA 0.684 5.024 4.340 -0.000 0.000 0.268 685 R C -1.255 174.938 176.300 -0.177 0.000 1.014 685 R CA -0.947 55.083 56.100 -0.117 0.000 0.946 685 R CB 2.475 32.663 30.300 -0.185 0.000 1.208 685 R HN 0.440 nan 8.270 nan 0.000 0.477 686 V N 3.486 123.273 119.914 -0.211 0.000 2.432 686 V HA 0.346 4.466 4.120 -0.000 0.000 0.275 686 V C -0.078 175.900 176.094 -0.194 0.000 1.043 686 V CA -0.369 61.844 62.300 -0.146 0.000 0.925 686 V CB 0.690 32.474 31.823 -0.065 0.000 0.985 686 V HN 0.501 nan 8.190 nan 0.000 0.466 687 L N 6.210 127.367 121.223 -0.110 0.000 2.472 687 L HA 0.905 5.245 4.340 -0.000 0.000 0.256 687 L C 0.785 177.650 176.870 -0.008 0.000 1.111 687 L CA 0.101 54.906 54.840 -0.059 0.000 0.800 687 L CB 1.504 43.544 42.059 -0.032 0.000 1.286 687 L HN 0.816 nan 8.230 nan 0.000 0.479 688 G N -0.778 108.034 108.800 0.020 0.000 2.606 688 G HA2 0.376 4.336 3.960 -0.000 0.000 0.300 688 G HA3 0.376 4.336 3.960 -0.000 0.000 0.300 688 G C -0.355 174.559 174.900 0.023 0.000 1.360 688 G CA -0.549 44.563 45.100 0.019 0.000 0.783 688 G HN 0.494 nan 8.290 nan 0.000 0.484 689 L N -1.671 119.559 121.223 0.013 0.000 2.478 689 L HA 0.474 4.814 4.340 -0.000 0.000 0.223 689 L C 0.972 177.878 176.870 0.060 0.000 1.140 689 L CA 0.772 55.622 54.840 0.017 0.000 0.842 689 L CB -0.524 41.532 42.059 -0.006 0.000 0.953 689 L HN 0.199 nan 8.230 nan 0.000 0.452 690 K N 1.930 122.362 120.400 0.054 0.000 2.183 690 K HA 0.664 4.984 4.320 -0.000 0.000 0.274 690 K C 0.236 176.886 176.600 0.084 0.000 1.009 690 K CA -0.040 56.281 56.287 0.056 0.000 0.888 690 K CB 1.055 33.571 32.500 0.028 0.000 1.078 690 K HN 0.276 nan 8.250 nan 0.000 0.459 691 A N 3.263 126.130 122.820 0.079 0.000 2.609 691 A HA -0.007 4.313 4.320 -0.000 0.000 0.235 691 A C -0.587 177.062 177.584 0.108 0.000 1.092 691 A CA 0.706 52.797 52.037 0.091 0.000 0.780 691 A CB -0.289 18.686 19.000 -0.041 0.000 1.031 691 A HN 0.915 nan 8.150 nan 0.000 0.515 692 H N -0.819 118.259 119.070 0.013 0.000 3.092 692 H HA 0.467 5.023 4.556 0.000 0.000 0.308 692 H C -1.335 173.980 175.328 -0.021 0.000 1.047 692 H CA -0.603 55.441 56.048 -0.007 0.000 1.466 692 H CB 0.609 30.372 29.762 0.002 0.000 1.597 692 H HN 0.658 nan 8.280 nan 0.000 0.512 693 c N 4.246 122.646 118.600 -0.332 0.000 2.273 693 c HA 0.451 5.021 4.570 -0.000 0.000 0.328 693 c C -0.004 173.875 174.090 -0.351 0.000 1.275 693 c CA -0.574 55.611 56.329 -0.240 0.000 1.704 693 c CB -0.090 42.319 42.510 -0.168 0.000 2.326 693 c HN 0.865 nan 8.230 nan 0.000 0.517 694 E N 3.092 123.140 120.200 -0.252 0.000 2.246 694 E HA 0.360 4.710 4.350 -0.000 0.000 0.266 694 E C -1.074 175.240 176.600 -0.475 0.000 0.880 694 E CA -0.348 55.831 56.400 -0.368 0.000 0.762 694 E CB 0.951 30.438 29.700 -0.356 0.000 1.180 694 E HN 0.834 nan 8.360 nan 0.000 0.416 695 N N 3.209 121.645 118.700 -0.441 0.000 2.456 695 N HA 0.369 5.109 4.740 -0.000 0.000 0.288 695 N C -1.248 173.988 175.510 -0.456 0.000 1.059 695 N CA -0.232 52.633 53.050 -0.309 0.000 0.946 695 N CB 0.571 38.983 38.487 -0.125 0.000 1.150 695 N HN 0.168 nan 8.380 nan 0.000 0.479 696 F N -0.278 119.728 119.950 0.094 0.000 2.523 696 F HA 0.450 4.977 4.527 -0.000 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 0.144 0.000 0.967 696 F CB 1.239 40.348 39.000 0.182 0.000 1.218 696 F HN 0.276 nan 8.300 nan 0.000 0.480 697 N N 1.922 120.855 118.700 0.388 0.000 2.434 697 N HA 0.522 5.262 4.740 -0.000 0.000 0.272 697 N C -1.267 174.398 175.510 0.259 0.000 1.040 697 N CA -0.328 52.874 53.050 0.254 0.000 0.956 697 N CB 1.394 39.986 38.487 0.174 0.000 1.108 697 N HN 0.310 nan 8.380 nan 0.000 0.481 698 L N 1.879 123.187 121.223 0.143 0.000 2.354 698 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 698 L C -0.659 176.207 176.870 -0.007 0.000 1.005 698 L CA -0.641 54.210 54.840 0.017 0.000 0.819 698 L CB 1.479 43.517 42.059 -0.034 0.000 1.311 698 L HN 0.264 nan 8.230 nan 0.000 0.423 699 L N 3.529 124.724 121.223 -0.045 0.000 2.342 699 L HA 0.521 4.861 4.340 -0.000 0.000 0.276 699 L C -0.775 176.063 176.870 -0.052 0.000 0.997 699 L CA -0.030 54.792 54.840 -0.029 0.000 0.838 699 L CB 1.392 43.446 42.059 -0.008 0.000 1.224 699 L HN 0.368 nan 8.230 nan 0.000 0.416 700 L N 6.107 127.302 121.223 -0.047 0.000 2.264 700 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 700 L C -1.934 174.921 176.870 -0.025 0.000 1.044 700 L CA -1.791 53.021 54.840 -0.046 0.000 0.807 700 L CB 1.333 43.357 42.059 -0.059 0.000 1.192 700 L HN 0.347 nan 8.230 nan 0.000 0.425 701 P HA 0.010 nan 4.420 nan 0.000 0.268 701 P C 0.703 177.993 177.300 -0.017 0.000 1.204 701 P CA -0.165 62.924 63.100 -0.019 0.000 0.768 701 P CB 1.070 32.755 31.700 -0.025 0.000 0.842 702 S N 2.247 117.941 115.700 -0.010 0.000 2.380 702 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 702 S C 0.766 175.352 174.600 -0.022 0.000 1.043 702 S CA 0.878 59.076 58.200 -0.003 0.000 1.038 702 S CB -1.172 62.029 63.200 0.003 0.000 0.872 702 S HN 0.578 nan 8.310 nan 0.000 0.456 703 c N 1.855 120.431 118.600 -0.040 0.000 2.329 703 c HA 0.903 5.473 4.570 -0.000 0.000 0.329 703 c C -0.005 174.027 174.090 -0.097 0.000 1.275 703 c CA -0.877 55.409 56.329 -0.073 0.000 1.726 703 c CB 0.617 43.094 42.510 -0.054 0.000 2.291 703 c HN 0.417 nan 8.230 nan 0.000 0.514 704 V N 2.639 122.455 119.914 -0.163 0.000 3.048 704 V HA 0.275 4.395 4.120 -0.000 0.000 0.303 704 V C 0.224 176.181 176.094 -0.229 0.000 1.214 704 V CA -0.454 61.746 62.300 -0.167 0.000 0.984 704 V CB 1.854 33.593 31.823 -0.140 0.000 1.054 704 V HN 0.947 nan 8.190 nan 0.000 0.430 705 E N 0.753 120.847 120.200 -0.176 0.000 2.012 705 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 705 E C 0.195 176.658 176.600 -0.227 0.000 0.977 705 E CA 0.640 56.935 56.400 -0.174 0.000 0.832 705 E CB 0.092 29.722 29.700 -0.117 0.000 0.790 705 E HN 0.768 nan 8.360 nan 0.000 0.466 706 D N -0.032 120.244 120.400 -0.207 0.000 2.371 706 D HA -0.003 4.637 4.640 -0.000 0.000 0.256 706 D C 0.264 176.300 176.300 -0.441 0.000 1.193 706 D CA 0.182 54.030 54.000 -0.252 0.000 0.881 706 D CB 1.044 41.735 40.800 -0.181 0.000 1.143 706 D HN 0.109 nan 8.370 nan 0.000 0.473 707 S N 1.607 116.973 115.700 -0.555 0.000 2.593 707 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 707 S C 1.947 175.966 174.600 -0.969 0.000 1.059 707 S CA 0.432 57.994 58.200 -1.063 0.000 0.953 707 S CB -0.455 62.440 63.200 -0.509 0.000 0.897 707 S HN 0.310 nan 8.310 nan 0.000 0.507 708 V N 2.289 121.918 119.914 -0.474 0.000 2.343 708 V HA 0.024 4.144 4.120 -0.000 0.000 0.247 708 V C 1.426 177.386 176.094 -0.224 0.000 1.051 708 V CA 1.632 63.729 62.300 -0.339 0.000 1.036 708 V CB -2.282 29.406 31.823 -0.226 0.000 0.654 708 V HN 0.711 nan 8.190 nan 0.000 0.451 709 T N -0.387 114.044 114.554 -0.204 0.000 2.738 709 T HA 0.475 4.825 4.350 -0.000 0.000 0.294 709 T C -2.284 172.421 174.700 0.009 0.000 0.914 709 T CA -1.734 60.327 62.100 -0.064 0.000 1.052 709 T CB 0.463 69.306 68.868 -0.043 0.000 0.897 709 T HN 0.351 nan 8.240 nan 0.000 0.522 710 P HA 0.062 nan 4.420 nan 0.000 0.267 710 P C 0.397 177.837 177.300 0.234 0.000 1.195 710 P CA -0.313 62.979 63.100 0.320 0.000 0.773 710 P CB 0.255 32.064 31.700 0.182 0.000 0.837 711 I N -1.219 119.478 120.570 0.212 0.000 2.416 711 I HA 0.331 4.501 4.170 -0.000 0.000 0.288 711 I C 0.448 176.581 176.117 0.027 0.000 1.051 711 I CA -0.563 60.782 61.300 0.075 0.000 1.375 711 I CB 0.706 38.704 38.000 -0.003 0.000 1.407 711 I HN 0.229 nan 8.210 nan 0.000 0.516 712 T N 4.893 119.492 114.554 0.075 0.000 2.913 712 T HA 0.584 4.934 4.350 -0.000 0.000 0.287 712 T C -0.474 174.327 174.700 0.169 0.000 1.008 712 T CA -0.781 61.398 62.100 0.130 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 2.651 124.035 121.223 0.267 0.000 2.504 713 L HA 0.607 4.947 4.340 -0.000 0.000 0.265 713 L C -0.737 176.285 176.870 0.254 0.000 0.975 713 L CA -0.951 54.063 54.840 0.289 0.000 0.864 713 L CB 1.367 43.686 42.059 0.434 0.000 1.212 713 L HN 0.972 nan 8.230 nan 0.000 0.416 714 R N 3.769 124.400 120.500 0.218 0.000 2.732 714 R HA 0.842 5.182 4.340 -0.000 0.000 0.278 714 R C -1.544 174.901 176.300 0.242 0.000 0.976 714 R CA -0.739 55.498 56.100 0.227 0.000 0.963 714 R CB 1.442 31.851 30.300 0.181 0.000 1.150 714 R HN 0.405 nan 8.270 nan 0.000 0.478 715 L N -0.406 120.990 121.223 0.288 0.000 2.365 715 L HA 0.634 4.974 4.340 -0.000 0.000 0.273 715 L C -0.896 176.177 176.870 0.338 0.000 1.000 715 L CA -0.958 54.046 54.840 0.273 0.000 0.819 715 L CB 1.903 44.103 42.059 0.235 0.000 1.284 715 L HN 0.745 nan 8.230 nan 0.000 0.418 716 N N 2.842 121.701 118.700 0.264 0.000 2.444 716 N HA 0.509 5.249 4.740 -0.000 0.000 0.262 716 N C -1.506 174.089 175.510 0.141 0.000 0.974 716 N CA -0.415 52.706 53.050 0.118 0.000 0.933 716 N CB 0.948 39.526 38.487 0.153 0.000 1.137 716 N HN 0.689 nan 8.380 nan 0.000 0.498 717 F N 0.951 120.856 119.950 -0.074 0.000 2.576 717 F HA 0.789 5.317 4.527 0.000 0.000 0.313 717 F C -0.113 175.654 175.800 -0.055 0.000 1.078 717 F CA -0.656 57.326 58.000 -0.031 0.000 0.921 717 F CB 1.331 40.347 39.000 0.026 0.000 1.232 717 F HN 0.391 nan 8.300 nan 0.000 0.459 718 T N 0.073 114.588 114.554 -0.065 0.000 2.584 718 T HA 0.635 4.985 4.350 -0.000 0.000 0.273 718 T C -1.417 173.292 174.700 0.014 0.000 0.978 718 T CA -0.932 61.075 62.100 -0.154 0.000 1.159 718 T CB 1.191 69.976 68.868 -0.139 0.000 1.556 718 T HN 0.783 nan 8.240 nan 0.000 0.472 719 L N 1.610 122.829 121.223 -0.006 0.000 2.433 719 L HA 0.611 4.951 4.340 -0.000 0.000 0.256 719 L C -0.211 176.666 176.870 0.011 0.000 1.063 719 L CA -0.836 54.019 54.840 0.025 0.000 0.922 719 L CB 1.439 43.514 42.059 0.028 0.000 1.238 719 L HN 0.569 nan 8.230 nan 0.000 0.466 720 V N 3.025 122.947 119.914 0.014 0.000 3.003 720 V HA 0.642 4.762 4.120 -0.000 0.000 0.305 720 V C 1.309 177.406 176.094 0.005 0.000 1.078 720 V CA 1.373 63.677 62.300 0.007 0.000 1.083 720 V CB 1.339 33.167 31.823 0.007 0.000 1.039 720 V HN 0.922 nan 8.190 nan 0.000 0.481 721 G N 3.367 112.170 108.800 0.006 0.000 5.452 721 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.310 721 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.310 721 G C 0.626 175.530 174.900 0.007 0.000 1.392 721 G CA 0.636 45.739 45.100 0.005 0.000 0.942 721 G HN 1.447 nan 8.290 nan 0.000 0.776 722 K N -0.465 119.935 120.400 -0.000 0.000 3.339 722 K HA -0.143 4.177 4.320 -0.000 0.000 0.299 722 K C -2.509 174.078 176.600 -0.022 0.000 1.270 722 K CA 1.022 57.308 56.287 -0.001 0.000 0.875 722 K CB -1.586 30.925 32.500 0.017 0.000 1.298 722 K HN 0.689 nan 8.250 nan 0.000 0.485 723 P HA 0.356 nan 4.420 nan 0.000 0.297 723 P C -0.666 176.560 177.300 -0.124 0.000 1.331 723 P CA -0.257 62.777 63.100 -0.110 0.000 0.803 723 P CB 0.851 32.496 31.700 -0.091 0.000 0.929 724 L N 5.390 126.510 121.223 -0.172 0.000 2.529 724 L HA 0.195 4.535 4.340 -0.000 0.000 0.260 724 L C 0.703 177.475 176.870 -0.164 0.000 0.997 724 L CA -0.653 54.108 54.840 -0.131 0.000 0.885 724 L CB 1.418 43.427 42.059 -0.083 0.000 1.185 724 L HN 0.275 nan 8.230 nan 0.000 0.442 725 L N 2.404 123.533 121.223 -0.157 0.000 4.565 725 L HA -0.346 3.994 4.340 -0.000 0.000 0.053 725 L C 0.529 177.270 176.870 -0.215 0.000 3.654 725 L CA 2.312 57.068 54.840 -0.140 0.000 1.224 725 L CB -1.060 40.948 42.059 -0.084 0.000 3.186 725 L HN 0.669 nan 8.230 nan 0.000 0.916 726 A N -1.257 121.464 122.820 -0.164 0.000 2.239 726 A HA 0.617 4.937 4.320 -0.000 0.000 0.303 726 A C 0.049 177.483 177.584 -0.249 0.000 1.114 726 A CA 0.280 52.228 52.037 -0.148 0.000 0.871 726 A CB 0.121 19.124 19.000 0.005 0.000 1.201 726 A HN 0.475 nan 8.150 nan 0.000 0.506 727 F N -0.348 119.610 119.950 0.013 0.000 2.873 727 F HA 0.236 4.763 4.527 0.000 0.000 0.289 727 F C 1.585 177.396 175.800 0.019 0.000 1.206 727 F CA 0.123 58.132 58.000 0.015 0.000 1.401 727 F CB 0.010 39.020 39.000 0.017 0.000 0.996 727 F HN 0.497 nan 8.300 nan 0.000 0.511 728 R N 0.343 120.908 120.500 0.109 0.000 2.334 728 R HA 0.064 4.404 4.340 -0.000 0.000 0.216 728 R C 1.480 177.803 176.300 0.038 0.000 0.905 728 R CA 0.384 56.528 56.100 0.073 0.000 1.064 728 R CB -0.097 30.230 30.300 0.045 0.000 1.046 728 R HN 0.365 nan 8.270 nan 0.000 0.508 729 N N 0.322 119.042 118.700 0.033 0.000 2.445 729 N HA 0.019 4.759 4.740 -0.000 0.000 0.204 729 N C 1.206 176.742 175.510 0.043 0.000 1.098 729 N CA 0.043 53.106 53.050 0.021 0.000 0.859 729 N CB 0.376 38.861 38.487 -0.004 0.000 1.249 729 N HN 0.045 nan 8.380 nan 0.000 0.462 730 L N -0.184 121.082 121.223 0.072 0.000 4.142 730 L HA -0.367 3.973 4.340 -0.000 0.000 0.053 730 L C 0.331 177.239 176.870 0.064 0.000 3.897 730 L CA 2.405 57.307 54.840 0.103 0.000 1.100 730 L CB -1.055 41.069 42.059 0.109 0.000 3.275 730 L HN 0.539 nan 8.230 nan 0.000 0.858 731 R N 1.358 121.892 120.500 0.056 0.000 2.288 731 R HA 0.567 4.907 4.340 -0.000 0.000 0.326 731 R C -2.873 173.454 176.300 0.045 0.000 0.959 731 R CA -1.680 54.448 56.100 0.047 0.000 0.834 731 R CB 1.615 31.944 30.300 0.048 0.000 1.157 731 R HN 0.006 nan 8.270 nan 0.000 0.470 732 P HA 0.381 nan 4.420 nan 0.000 0.279 732 P C -0.722 176.617 177.300 0.065 0.000 1.276 732 P CA -0.784 62.346 63.100 0.051 0.000 0.801 732 P CB 0.998 32.721 31.700 0.039 0.000 1.127 733 M N -1.989 117.667 119.600 0.093 0.000 3.084 733 M HA 0.484 4.964 4.480 -0.000 0.000 0.273 733 M C -1.778 174.610 176.300 0.145 0.000 1.242 733 M CA -0.904 54.457 55.300 0.102 0.000 0.819 733 M CB 0.997 33.669 32.600 0.120 0.000 1.625 733 M HN -0.065 nan 8.290 nan 0.000 0.493 734 L N 1.086 122.376 121.223 0.111 0.000 2.376 734 L HA 0.940 5.280 4.340 -0.000 0.000 0.267 734 L C 0.436 177.377 176.870 0.119 0.000 1.035 734 L CA -0.914 54.003 54.840 0.128 0.000 0.800 734 L CB 1.560 43.622 42.059 0.005 0.000 1.290 734 L HN 0.949 nan 8.230 nan 0.000 0.462 735 A N 0.168 123.037 122.820 0.081 0.000 2.257 735 A HA 0.636 4.956 4.320 -0.000 0.000 0.290 735 A C 0.994 178.298 177.584 -0.467 0.000 1.201 735 A CA 0.407 52.358 52.037 -0.143 0.000 0.863 735 A CB 0.275 19.145 19.000 -0.217 0.000 1.256 735 A HN 0.852 nan 8.150 nan 0.000 0.506 736 A N -0.783 121.611 122.820 -0.710 0.000 1.855 736 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 736 A C 0.689 178.064 177.584 -0.349 0.000 1.191 736 A CA 1.587 53.267 52.037 -0.594 0.000 0.613 736 A CB -0.585 18.071 19.000 -0.574 0.000 0.829 736 A HN 0.651 nan 8.150 nan 0.000 0.442 737 D N 0.891 121.107 120.400 -0.307 0.000 2.688 737 D HA 0.443 5.083 4.640 -0.000 0.000 0.228 737 D C -0.338 175.859 176.300 -0.171 0.000 1.116 737 D CA 0.474 54.348 54.000 -0.210 0.000 1.023 737 D CB 0.003 40.691 40.800 -0.186 0.000 1.100 737 D HN 0.343 nan 8.370 nan 0.000 0.487 738 A N 2.239 124.956 122.820 -0.172 0.000 2.444 738 A HA 0.179 4.499 4.320 -0.000 0.000 0.332 738 A C 0.575 178.046 177.584 -0.189 0.000 1.430 738 A CA -0.693 51.263 52.037 -0.135 0.000 0.975 738 A CB 0.429 19.317 19.000 -0.186 0.000 1.147 738 A HN 0.088 nan 8.150 nan 0.000 0.524 739 Q N 2.227 121.927 119.800 -0.165 0.000 2.945 739 Q HA 0.069 4.409 4.340 -0.000 0.000 0.323 739 Q C 0.864 176.361 176.000 -0.839 0.000 1.188 739 Q CA 0.003 55.543 55.803 -0.438 0.000 0.929 739 Q CB -0.223 28.280 28.738 -0.390 0.000 1.531 739 Q HN 0.767 nan 8.270 nan 0.000 0.444 740 R N -0.264 119.914 120.500 -0.537 0.000 2.261 740 R HA -0.137 4.203 4.340 -0.000 0.000 0.236 740 R C -0.121 175.902 176.300 -0.461 0.000 1.141 740 R CA 0.974 56.735 56.100 -0.564 0.000 1.001 740 R CB 0.065 29.854 30.300 -0.852 0.000 0.866 740 R HN 0.243 nan 8.270 nan 0.000 0.468 741 Y N 0.020 120.107 120.300 -0.354 0.000 2.594 741 Y HA 0.219 4.769 4.550 -0.000 0.000 0.342 741 Y C -0.555 175.177 175.900 -0.279 0.000 1.010 741 Y CA -0.987 56.995 58.100 -0.197 0.000 1.270 741 Y CB 0.162 38.547 38.460 -0.125 0.000 1.125 741 Y HN -0.199 nan 8.280 nan 0.000 0.513 742 F N 1.093 121.218 119.950 0.292 0.000 2.444 742 F HA 0.555 5.082 4.527 -0.000 0.000 0.342 742 F C 0.341 176.247 175.800 0.177 0.000 1.121 742 F CA -0.938 57.184 58.000 0.204 0.000 0.997 742 F CB 1.769 40.867 39.000 0.165 0.000 1.130 742 F HN 0.123 nan 8.300 nan 0.000 0.454 743 T N 2.477 117.236 114.554 0.343 0.000 2.863 743 T HA 0.839 5.189 4.350 -0.000 0.000 0.285 743 T C -0.798 174.035 174.700 0.222 0.000 1.009 743 T CA -0.762 61.488 62.100 0.249 0.000 0.989 743 T CB 1.796 70.781 68.868 0.194 0.000 1.004 743 T HN 0.686 nan 8.240 nan 0.000 0.455 744 A N 2.013 124.967 122.820 0.223 0.000 2.386 744 A HA 0.839 5.159 4.320 -0.000 0.000 0.311 744 A C 0.020 177.863 177.584 0.433 0.000 1.068 744 A CA -0.854 51.324 52.037 0.235 0.000 0.743 744 A CB 1.281 20.318 19.000 0.062 0.000 1.258 744 A HN 0.881 nan 8.150 nan 0.000 0.429 745 S N 1.194 117.140 115.700 0.410 0.000 2.608 745 S HA 0.762 5.232 4.470 -0.000 0.000 0.291 745 S C -0.577 174.176 174.600 0.255 0.000 1.146 745 S CA -0.655 57.730 58.200 0.309 0.000 1.043 745 S CB 1.321 64.633 63.200 0.187 0.000 1.037 745 S HN 0.958 nan 8.310 nan 0.000 0.520 746 L N 2.435 123.562 121.223 -0.160 0.000 2.342 746 L HA 0.537 4.877 4.340 -0.000 0.000 0.276 746 L C -2.777 173.961 176.870 -0.219 0.000 0.997 746 L CA -2.374 52.195 54.840 -0.452 0.000 0.838 746 L CB 2.194 43.554 42.059 -1.165 0.000 1.224 746 L HN 0.527 nan 8.230 nan 0.000 0.416 747 P HA 0.375 nan 4.420 nan 0.000 0.279 747 P C -1.248 176.038 177.300 -0.022 0.000 1.282 747 P CA -0.155 62.998 63.100 0.088 0.000 0.788 747 P CB 0.686 32.441 31.700 0.093 0.000 1.139 748 F N -1.621 118.317 119.950 -0.020 0.000 2.598 748 F HA 0.339 4.866 4.527 -0.000 0.000 0.327 748 F C 0.932 176.711 175.800 -0.036 0.000 1.057 748 F CA -0.971 57.032 58.000 0.005 0.000 0.957 748 F CB 0.790 39.843 39.000 0.088 0.000 1.278 748 F HN 0.234 nan 8.300 nan 0.000 0.484 749 E N 2.144 122.411 120.200 0.111 0.000 1.814 749 E HA 0.079 4.429 4.350 -0.000 0.000 0.264 749 E C -0.482 176.028 176.600 -0.151 0.000 1.179 749 E CA -0.559 55.821 56.400 -0.035 0.000 0.972 749 E CB 0.211 29.858 29.700 -0.088 0.000 1.077 749 E HN 0.385 nan 8.360 nan 0.000 0.417 750 K N 3.585 123.925 120.400 -0.100 0.000 2.484 750 K HA -0.029 4.291 4.320 -0.000 0.000 0.280 750 K C -0.649 175.835 176.600 -0.194 0.000 1.013 750 K CA -0.092 56.091 56.287 -0.173 0.000 1.029 750 K CB 0.176 32.546 32.500 -0.217 0.000 0.902 750 K HN 0.323 nan 8.250 nan 0.000 0.481 751 N N 3.557 122.103 118.700 -0.256 0.000 2.423 751 N HA -0.051 4.689 4.740 -0.000 0.000 0.275 751 N C 0.091 175.575 175.510 -0.043 0.000 1.283 751 N CA 0.028 52.969 53.050 -0.182 0.000 0.932 751 N CB -0.194 38.211 38.487 -0.136 0.000 1.185 751 N HN 0.638 nan 8.380 nan 0.000 0.483 752 c N 1.173 119.769 118.600 -0.006 0.000 2.435 752 c HA 0.706 5.276 4.570 -0.000 0.000 0.326 752 c C 0.885 175.021 174.090 0.076 0.000 1.328 752 c CA -0.094 56.278 56.329 0.072 0.000 1.741 752 c CB -1.526 41.060 42.510 0.126 0.000 1.998 752 c HN 0.719 nan 8.230 nan 0.000 0.585 753 G N -0.551 108.269 108.800 0.034 0.000 2.381 753 G HA2 0.412 4.372 3.960 -0.000 0.000 0.672 753 G HA3 0.412 4.372 3.960 -0.000 0.000 0.672 753 G C 0.239 175.152 174.900 0.022 0.000 1.324 753 G CA -0.342 44.775 45.100 0.029 0.000 0.975 753 G HN 1.280 nan 8.290 nan 0.000 0.593 754 A N -0.005 122.827 122.820 0.020 0.000 2.258 754 A HA 0.480 4.800 4.320 -0.000 0.000 0.206 754 A C 0.997 178.594 177.584 0.023 0.000 1.222 754 A CA 2.213 54.260 52.037 0.017 0.000 0.822 754 A CB -0.849 18.160 19.000 0.015 0.000 0.804 754 A HN 1.909 nan 8.150 nan 0.000 0.483 755 D N -5.376 115.049 120.400 0.043 0.000 3.924 755 D HA 0.132 4.772 4.640 -0.000 0.000 0.371 755 D C 0.286 176.664 176.300 0.129 0.000 1.595 755 D CA 0.239 54.273 54.000 0.056 0.000 0.920 755 D CB -0.244 40.586 40.800 0.050 0.000 1.494 755 D HN 0.304 nan 8.370 nan 0.000 0.574 756 H N -1.296 117.766 119.070 -0.013 0.000 3.882 756 H HA -0.207 4.349 4.556 -0.000 0.000 0.165 756 H C 1.094 176.414 175.328 -0.013 0.000 0.896 756 H CA 1.987 58.028 56.048 -0.012 0.000 1.243 756 H CB -1.044 28.712 29.762 -0.009 0.000 0.958 756 H HN 0.949 nan 8.280 nan 0.000 0.400 757 I N -1.728 118.779 120.570 -0.105 0.000 4.063 757 I HA -0.376 3.794 4.170 -0.000 0.000 0.156 757 I C 0.590 176.619 176.117 -0.147 0.000 1.137 757 I CA 1.458 62.677 61.300 -0.135 0.000 1.255 757 I CB -1.793 36.118 38.000 -0.148 0.000 1.568 757 I HN 0.942 nan 8.210 nan 0.000 0.223 758 c N 1.863 120.354 118.600 -0.182 0.000 3.234 758 c HA -0.131 4.439 4.570 -0.000 0.000 0.291 758 c C 0.594 174.634 174.090 -0.084 0.000 1.089 758 c CA 0.194 56.483 56.329 -0.068 0.000 2.493 758 c CB -2.192 40.310 42.510 -0.013 0.000 1.512 758 c HN 0.555 nan 8.230 nan 0.000 0.495 759 Q N 1.222 120.949 119.800 -0.121 0.000 2.294 759 Q HA 0.236 4.576 4.340 -0.000 0.000 0.257 759 Q C 0.102 176.094 176.000 -0.012 0.000 0.955 759 Q CA 0.262 56.021 55.803 -0.072 0.000 0.936 759 Q CB 1.050 29.732 28.738 -0.094 0.000 1.188 759 Q HN 0.530 nan 8.270 nan 0.000 0.420 760 D N 2.778 123.180 120.400 0.003 0.000 2.393 760 D HA 0.096 4.736 4.640 -0.000 0.000 0.232 760 D C -0.383 175.933 176.300 0.027 0.000 1.192 760 D CA 0.050 54.067 54.000 0.028 0.000 0.882 760 D CB 0.232 41.054 40.800 0.038 0.000 1.038 760 D HN 0.268 nan 8.370 nan 0.000 0.499 761 N N 3.593 122.309 118.700 0.028 0.000 2.573 761 N HA 0.337 5.077 4.740 -0.000 0.000 0.262 761 N C -1.606 173.940 175.510 0.060 0.000 1.029 761 N CA -0.398 52.671 53.050 0.031 0.000 0.882 761 N CB 0.528 39.019 38.487 0.007 0.000 1.204 761 N HN 0.200 nan 8.380 nan 0.000 0.519 762 L N 1.456 122.741 121.223 0.103 0.000 2.408 762 L HA 0.811 5.151 4.340 -0.000 0.000 0.268 762 L C 0.733 177.736 176.870 0.222 0.000 0.986 762 L CA -1.120 53.828 54.840 0.181 0.000 0.820 762 L CB 2.270 44.450 42.059 0.202 0.000 1.303 762 L HN 0.459 nan 8.230 nan 0.000 0.411 763 G N 1.616 110.641 108.800 0.375 0.000 2.735 763 G HA2 0.877 4.837 3.960 -0.000 0.000 0.301 763 G HA3 0.877 4.837 3.960 -0.000 0.000 0.301 763 G C -1.520 173.696 174.900 0.526 0.000 1.279 763 G CA -0.617 44.784 45.100 0.501 0.000 1.019 763 G HN 0.603 nan 8.290 nan 0.000 0.497 764 I N -1.225 119.611 120.570 0.443 0.000 2.882 764 I HA 0.644 4.814 4.170 -0.000 0.000 0.298 764 I C -1.483 174.492 176.117 -0.238 0.000 1.462 764 I CA -0.582 60.711 61.300 -0.012 0.000 1.000 764 I CB 2.172 40.199 38.000 0.046 0.000 1.340 764 I HN 0.729 nan 8.210 nan 0.000 0.462 765 S N 5.704 121.024 115.700 -0.634 0.000 2.563 765 S HA 0.722 5.192 4.470 -0.000 0.000 0.279 765 S C -1.486 172.642 174.600 -0.787 0.000 1.155 765 S CA -0.524 56.982 58.200 -1.158 0.000 0.928 765 S CB 0.986 63.699 63.200 -0.811 0.000 1.107 765 S HN 0.640 nan 8.310 nan 0.000 0.462 766 F N 1.806 121.321 119.950 -0.725 0.000 2.620 766 F HA 0.961 5.488 4.527 -0.000 0.000 0.320 766 F C -0.169 175.471 175.800 -0.266 0.000 1.069 766 F CA -0.602 57.176 58.000 -0.370 0.000 0.953 766 F CB 1.231 40.095 39.000 -0.226 0.000 1.322 766 F HN 0.617 nan 8.300 nan 0.000 0.479 767 S N -0.115 115.561 115.700 -0.039 0.000 2.776 767 S HA 0.810 5.280 4.470 -0.000 0.000 0.292 767 S C -1.855 172.501 174.600 -0.406 0.000 1.187 767 S CA -0.776 57.337 58.200 -0.145 0.000 0.834 767 S CB 1.773 64.938 63.200 -0.058 0.000 1.199 767 S HN 0.552 nan 8.310 nan 0.000 0.514 768 F N 1.348 121.369 119.950 0.119 0.000 2.610 768 F HA 0.512 5.039 4.527 -0.000 0.000 0.355 768 F C -2.742 173.079 175.800 0.035 0.000 1.140 768 F CA -1.905 56.134 58.000 0.064 0.000 1.037 768 F CB 1.461 40.497 39.000 0.061 0.000 1.287 768 F HN 0.287 nan 8.300 nan 0.000 0.457 769 P HA 0.286 nan 4.420 nan 0.000 0.269 769 P C 0.861 178.214 177.300 0.088 0.000 1.252 769 P CA 0.550 63.706 63.100 0.094 0.000 0.780 769 P CB 0.708 32.440 31.700 0.054 0.000 0.829 770 G N 2.780 111.624 108.800 0.073 0.000 2.234 770 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 770 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 770 G C 0.070 174.996 174.900 0.043 0.000 0.987 770 G CA -0.136 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 1.918 123.179 121.223 0.063 0.000 2.700 771 L HA 0.411 4.751 4.340 -0.000 0.000 0.272 771 L C 0.866 177.739 176.870 0.004 0.000 1.176 771 L CA 0.756 55.607 54.840 0.018 0.000 0.961 771 L CB 0.001 42.059 42.059 -0.002 0.000 1.249 771 L HN 0.402 nan 8.230 nan 0.000 0.487 772 K N 3.394 123.786 120.400 -0.013 0.000 2.473 772 K HA 0.505 4.825 4.320 -0.000 0.000 0.246 772 K C 0.515 177.098 176.600 -0.027 0.000 1.011 772 K CA -0.009 56.272 56.287 -0.011 0.000 0.984 772 K CB 1.112 33.611 32.500 -0.003 0.000 1.250 772 K HN 0.598 nan 8.250 nan 0.000 0.454 773 S N 2.229 117.909 115.700 -0.034 0.000 1.466 773 S HA -0.232 4.237 4.470 -0.000 0.000 0.244 773 S C -0.033 174.520 174.600 -0.077 0.000 0.723 773 S CA 1.119 59.294 58.200 -0.043 0.000 1.234 773 S CB -1.333 61.852 63.200 -0.026 0.000 1.451 773 S HN 1.566 nan 8.310 nan 0.000 0.507 774 L N 0.674 121.844 121.223 -0.088 0.000 3.295 774 L HA -0.064 4.276 4.340 -0.000 0.000 0.686 774 L C -0.620 176.162 176.870 -0.147 0.000 1.088 774 L CA 1.457 56.221 54.840 -0.126 0.000 1.255 774 L CB -1.586 40.371 42.059 -0.171 0.000 1.713 774 L HN 0.896 nan 8.230 nan 0.000 0.868 775 L N 2.431 123.586 121.223 -0.114 0.000 2.331 775 L HA 0.913 5.253 4.340 -0.000 0.000 0.275 775 L C 0.119 176.923 176.870 -0.111 0.000 1.022 775 L CA -0.810 53.950 54.840 -0.132 0.000 0.812 775 L CB 1.629 43.667 42.059 -0.035 0.000 1.257 775 L HN 0.070 nan 8.230 nan 0.000 0.435 776 V N 3.569 123.396 119.914 -0.146 0.000 2.387 776 V HA 0.607 4.727 4.120 -0.000 0.000 0.260 776 V C 0.998 177.128 176.094 0.061 0.000 1.054 776 V CA 0.990 63.269 62.300 -0.035 0.000 0.967 776 V CB -0.619 31.227 31.823 0.038 0.000 1.036 776 V HN 1.215 nan 8.190 nan 0.000 0.481 777 G N 4.061 112.885 108.800 0.039 0.000 3.826 777 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.194 777 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.194 777 G C 0.390 175.306 174.900 0.026 0.000 2.087 777 G CA 0.157 45.286 45.100 0.050 0.000 1.230 777 G HN 0.585 nan 8.290 nan 0.000 0.393 778 S N 0.704 116.416 115.700 0.019 0.000 2.655 778 S HA 0.465 4.935 4.470 -0.000 0.000 0.265 778 S C 0.505 175.096 174.600 -0.015 0.000 1.240 778 S CA 0.359 58.561 58.200 0.004 0.000 0.986 778 S CB 0.248 63.451 63.200 0.005 0.000 0.985 778 S HN 0.879 nan 8.310 nan 0.000 0.562 779 N N 0.097 118.784 118.700 -0.021 0.000 2.642 779 N HA -0.179 4.561 4.740 -0.000 0.000 0.269 779 N C 0.163 175.652 175.510 -0.035 0.000 1.073 779 N CA 0.286 53.314 53.050 -0.037 0.000 0.748 779 N CB -1.133 37.318 38.487 -0.060 0.000 0.894 779 N HN 0.494 nan 8.380 nan 0.000 0.548 780 L N 0.495 121.706 121.223 -0.020 0.000 2.034 780 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 780 L C 1.353 178.214 176.870 -0.014 0.000 1.074 780 L CA 0.949 55.782 54.840 -0.011 0.000 0.748 780 L CB 0.053 42.110 42.059 -0.003 0.000 0.905 780 L HN 0.463 nan 8.230 nan 0.000 0.439 781 E N 0.847 121.036 120.200 -0.018 0.000 2.354 781 E HA 0.245 4.595 4.350 -0.000 0.000 0.269 781 E C -0.921 175.670 176.600 -0.015 0.000 1.036 781 E CA -0.523 55.867 56.400 -0.017 0.000 0.876 781 E CB 1.332 31.016 29.700 -0.026 0.000 1.009 781 E HN 0.106 nan 8.360 nan 0.000 0.416 782 L N 3.735 124.964 121.223 0.010 0.000 2.345 782 L HA 0.345 4.685 4.340 -0.000 0.000 0.274 782 L C -1.485 175.444 176.870 0.098 0.000 0.999 782 L CA -0.753 54.087 54.840 -0.000 0.000 0.849 782 L CB 1.175 43.199 42.059 -0.058 0.000 1.220 782 L HN 0.507 nan 8.230 nan 0.000 0.422 783 N N 4.399 123.162 118.700 0.105 0.000 2.411 783 N HA 0.524 5.264 4.740 -0.000 0.000 0.259 783 N C -0.444 175.236 175.510 0.282 0.000 1.103 783 N CA -0.078 53.057 53.050 0.142 0.000 0.954 783 N CB 1.605 40.142 38.487 0.082 0.000 1.085 783 N HN 0.644 nan 8.380 nan 0.000 0.485 784 A N 1.993 124.921 122.820 0.181 0.000 2.287 784 A HA 0.287 4.606 4.320 -0.000 0.000 0.317 784 A C 0.035 177.526 177.584 -0.155 0.000 1.220 784 A CA -0.738 51.291 52.037 -0.012 0.000 0.835 784 A CB 0.595 19.520 19.000 -0.126 0.000 1.180 784 A HN 0.634 nan 8.150 nan 0.000 0.500 785 E N 2.912 122.999 120.200 -0.188 0.000 2.028 785 E HA 0.390 4.740 4.350 -0.000 0.000 0.266 785 E C -1.303 175.150 176.600 -0.245 0.000 0.962 785 E CA -0.259 56.021 56.400 -0.200 0.000 0.784 785 E CB 0.979 30.606 29.700 -0.123 0.000 1.114 785 E HN 0.463 nan 8.360 nan 0.000 0.414 786 V N 6.275 125.953 119.914 -0.394 0.000 2.407 786 V HA 0.385 4.505 4.120 -0.000 0.000 0.278 786 V C -0.263 175.568 176.094 -0.438 0.000 1.037 786 V CA -0.422 61.659 62.300 -0.365 0.000 0.900 786 V CB 1.389 32.965 31.823 -0.412 0.000 0.983 786 V HN 0.811 nan 8.190 nan 0.000 0.459 787 M N 6.618 125.991 119.600 -0.378 0.000 2.573 787 M HA 0.770 5.250 4.480 -0.000 0.000 0.309 787 M C -1.434 174.535 176.300 -0.551 0.000 1.202 787 M CA -0.428 54.609 55.300 -0.439 0.000 0.975 787 M CB 1.955 34.268 32.600 -0.478 0.000 1.600 787 M HN 0.566 nan 8.290 nan 0.000 0.479 788 V N 2.919 122.489 119.914 -0.572 0.000 3.077 788 V HA 0.536 4.656 4.120 -0.000 0.000 0.299 788 V C -1.875 174.054 176.094 -0.275 0.000 1.276 788 V CA -0.530 61.497 62.300 -0.455 0.000 0.993 788 V CB 2.371 34.106 31.823 -0.147 0.000 1.076 788 V HN 0.940 nan 8.190 nan 0.000 0.434 789 W N 2.734 124.160 121.300 0.209 0.000 2.594 789 W HA 0.558 5.218 4.660 -0.000 0.000 0.365 789 W C -0.052 176.575 176.519 0.181 0.000 1.196 789 W CA -0.657 56.804 57.345 0.193 0.000 1.258 789 W CB 1.578 31.076 29.460 0.063 0.000 1.405 789 W HN 0.650 nan 8.180 nan 0.000 0.640 790 N N 0.936 119.740 118.700 0.174 0.000 2.732 790 N HA 0.068 4.808 4.740 -0.000 0.000 0.235 790 N C -0.772 174.683 175.510 -0.092 0.000 1.466 790 N CA 0.001 52.960 53.050 -0.152 0.000 0.751 790 N CB -0.097 37.861 38.487 -0.881 0.000 1.317 790 N HN 0.096 nan 8.380 nan 0.000 0.525 791 D N 0.015 120.414 120.400 -0.002 0.000 2.325 791 D HA 0.246 4.886 4.640 -0.000 0.000 0.234 791 D C 0.800 177.085 176.300 -0.025 0.000 1.122 791 D CA 0.443 54.428 54.000 -0.026 0.000 0.850 791 D CB 0.393 41.166 40.800 -0.045 0.000 0.921 791 D HN 0.565 nan 8.370 nan 0.000 0.513 792 G N -0.459 108.324 108.800 -0.028 0.000 3.086 792 G HA2 0.330 4.290 3.960 -0.000 0.000 0.282 792 G HA3 0.330 4.290 3.960 -0.000 0.000 0.282 792 G C -0.704 174.195 174.900 -0.002 0.000 1.343 792 G CA -0.570 44.528 45.100 -0.003 0.000 0.895 792 G HN -0.081 nan 8.290 nan 0.000 0.557 793 E N 0.311 120.538 120.200 0.045 0.000 2.537 793 E HA 0.045 4.395 4.350 -0.000 0.000 0.269 793 E C -0.301 176.311 176.600 0.019 0.000 1.038 793 E CA 0.135 56.578 56.400 0.072 0.000 0.977 793 E CB 0.255 30.015 29.700 0.101 0.000 0.973 793 E HN 0.259 nan 8.360 nan 0.000 0.456 794 D N 1.752 122.160 120.400 0.014 0.000 2.472 794 D HA 0.018 4.657 4.640 -0.000 0.000 0.248 794 D C -0.525 175.792 176.300 0.028 0.000 1.174 794 D CA 0.345 54.305 54.000 -0.067 0.000 0.883 794 D CB 0.233 40.950 40.800 -0.139 0.000 1.149 794 D HN 0.355 nan 8.370 nan 0.000 0.488 795 S N 2.195 117.896 115.700 0.002 0.000 2.475 795 S HA 0.292 4.762 4.470 -0.000 0.000 0.281 795 S C 0.309 174.968 174.600 0.098 0.000 1.198 795 S CA -0.551 57.727 58.200 0.130 0.000 1.063 795 S CB 0.861 64.165 63.200 0.173 0.000 0.972 795 S HN 0.338 nan 8.310 nan 0.000 0.486 796 Y N 3.294 123.651 120.300 0.094 0.000 2.254 796 Y HA 0.347 4.897 4.550 -0.000 0.000 0.274 796 Y C 2.421 178.368 175.900 0.079 0.000 1.093 796 Y CA 0.983 59.133 58.100 0.084 0.000 1.105 796 Y CB -0.727 37.773 38.460 0.066 0.000 1.041 796 Y HN 0.798 nan 8.280 nan 0.000 0.489 797 G N 0.137 109.092 108.800 0.257 0.000 3.452 797 G HA2 0.023 3.983 3.960 -0.000 0.000 0.258 797 G HA3 0.023 3.983 3.960 -0.000 0.000 0.258 797 G C 0.129 175.094 174.900 0.108 0.000 1.305 797 G CA -0.018 45.174 45.100 0.152 0.000 1.514 797 G HN 0.168 nan 8.290 nan 0.000 0.593 798 T N 1.302 115.920 114.554 0.107 0.000 2.849 798 T HA 0.277 4.627 4.350 -0.000 0.000 0.289 798 T C 0.882 175.591 174.700 0.015 0.000 1.010 798 T CA 0.787 62.936 62.100 0.083 0.000 1.161 798 T CB 0.059 68.998 68.868 0.119 0.000 0.989 798 T HN 0.448 nan 8.240 nan 0.000 0.523 799 T N 3.392 117.956 114.554 0.017 0.000 2.888 799 T HA 0.663 5.013 4.350 -0.000 0.000 0.284 799 T C -0.652 174.021 174.700 -0.044 0.000 1.017 799 T CA -1.074 61.014 62.100 -0.020 0.000 1.022 799 T CB 1.466 70.337 68.868 0.006 0.000 1.013 799 T HN 0.517 nan 8.240 nan 0.000 0.465 800 I N 3.031 123.545 120.570 -0.094 0.000 2.468 800 I HA 0.518 4.688 4.170 -0.000 0.000 0.284 800 I C -0.222 175.740 176.117 -0.258 0.000 1.038 800 I CA -0.282 60.922 61.300 -0.160 0.000 1.083 800 I CB 1.671 39.599 38.000 -0.120 0.000 1.223 800 I HN 1.046 nan 8.210 nan 0.000 0.443 801 T N 3.938 118.327 114.554 -0.274 0.000 2.823 801 T HA 0.713 5.063 4.350 -0.000 0.000 0.279 801 T C -0.511 174.011 174.700 -0.297 0.000 0.998 801 T CA -0.408 61.578 62.100 -0.191 0.000 0.994 801 T CB 0.799 69.641 68.868 -0.044 0.000 0.960 801 T HN 0.230 nan 8.240 nan 0.000 0.448 802 F N 1.587 121.602 119.950 0.108 0.000 2.470 802 F HA 0.632 5.159 4.527 0.000 0.000 0.329 802 F C 0.933 176.791 175.800 0.096 0.000 1.072 802 F CA -0.863 57.204 58.000 0.111 0.000 0.989 802 F CB 2.143 41.214 39.000 0.117 0.000 1.193 802 F HN 0.788 nan 8.300 nan 0.000 0.481 803 S N 1.110 116.977 115.700 0.278 0.000 2.449 803 S HA 0.728 5.198 4.470 -0.000 0.000 0.310 803 S C -1.224 173.471 174.600 0.159 0.000 1.096 803 S CA -0.511 57.772 58.200 0.137 0.000 1.095 803 S CB 0.535 63.802 63.200 0.112 0.000 1.007 803 S HN 0.807 nan 8.310 nan 0.000 0.474 804 H N 0.361 119.512 119.070 0.135 0.000 3.016 804 H HA 0.766 5.322 4.556 -0.000 0.000 0.362 804 H C -3.319 172.179 175.328 0.283 0.000 1.233 804 H CA -2.151 53.965 56.048 0.115 0.000 1.124 804 H CB 0.681 30.422 29.762 -0.035 0.000 1.850 804 H HN 0.395 nan 8.280 nan 0.000 0.549 805 P HA 0.039 nan 4.420 nan 0.000 0.272 805 P C 0.577 178.166 177.300 0.483 0.000 1.223 805 P CA 0.155 63.434 63.100 0.298 0.000 0.784 805 P CB 0.993 32.805 31.700 0.186 0.000 0.923 806 A N 3.029 125.980 122.820 0.218 0.000 2.084 806 A HA -0.125 4.195 4.320 -0.000 0.000 0.221 806 A C 2.029 179.828 177.584 0.359 0.000 1.161 806 A CA 1.895 53.984 52.037 0.087 0.000 0.653 806 A CB -1.680 17.155 19.000 -0.275 0.000 0.802 806 A HN 0.683 nan 8.150 nan 0.000 0.457 807 G N -0.685 108.287 108.800 0.287 0.000 3.295 807 G HA2 0.400 4.360 3.960 -0.000 0.000 0.231 807 G HA3 0.400 4.360 3.960 -0.000 0.000 0.231 807 G C 0.015 175.055 174.900 0.233 0.000 1.277 807 G CA 0.716 45.949 45.100 0.222 0.000 1.013 807 G HN 0.990 nan 8.290 nan 0.000 0.509 808 L N -4.746 116.683 121.223 0.343 0.000 2.866 808 L HA 0.812 5.152 4.340 -0.000 0.000 0.262 808 L C -0.740 176.244 176.870 0.190 0.000 0.986 808 L CA -0.986 53.984 54.840 0.217 0.000 0.925 808 L CB 1.138 43.255 42.059 0.096 0.000 1.484 808 L HN -0.161 nan 8.230 nan 0.000 0.414 809 S N -0.749 115.030 115.700 0.132 0.000 2.625 809 S HA 0.587 5.057 4.470 -0.000 0.000 0.271 809 S C -1.750 172.786 174.600 -0.107 0.000 1.161 809 S CA -0.659 57.555 58.200 0.024 0.000 0.820 809 S CB 1.441 64.670 63.200 0.048 0.000 1.137 809 S HN 0.794 nan 8.310 nan 0.000 0.470 810 Y N 2.886 122.914 120.300 -0.453 0.000 2.309 810 Y HA 0.559 5.109 4.550 0.000 0.000 0.327 810 Y C 0.228 175.918 175.900 -0.350 0.000 1.172 810 Y CA -0.349 57.296 58.100 -0.757 0.000 1.280 810 Y CB 0.535 38.531 38.460 -0.772 0.000 1.234 810 Y HN 0.667 nan 8.280 nan 0.000 0.512 811 R N 5.309 125.135 120.500 -1.122 0.000 2.561 811 R HA 0.296 4.636 4.340 -0.000 0.000 0.297 811 R C -1.848 173.772 176.300 -1.134 0.000 0.969 811 R CA -0.939 54.652 56.100 -0.848 0.000 0.879 811 R CB 0.862 30.919 30.300 -0.406 0.000 1.178 811 R HN 0.709 nan 8.270 nan 0.000 0.445 812 Y N 3.168 122.984 120.300 -0.807 0.000 2.811 812 Y HA -0.079 4.471 4.550 -0.000 0.000 0.334 812 Y C 0.888 176.620 175.900 -0.280 0.000 1.247 812 Y CA 0.459 58.296 58.100 -0.439 0.000 1.526 812 Y CB 0.911 39.264 38.460 -0.178 0.000 1.284 812 Y HN 0.536 nan 8.280 nan 0.000 0.586 813 V N 5.033 124.531 119.914 -0.694 0.000 2.331 813 V HA -0.035 4.085 4.120 -0.000 0.000 0.242 813 V C 1.352 177.202 176.094 -0.408 0.000 1.034 813 V CA 1.143 63.174 62.300 -0.449 0.000 1.027 813 V CB -1.421 30.212 31.823 -0.317 0.000 0.667 813 V HN 1.170 nan 8.190 nan 0.000 0.457 814 A N 0.543 122.932 122.820 -0.720 0.000 2.667 814 A HA -0.202 4.118 4.320 -0.000 0.000 0.298 814 A C 0.279 177.827 177.584 -0.059 0.000 1.483 814 A CA 0.720 52.668 52.037 -0.148 0.000 0.738 814 A CB -1.662 17.489 19.000 0.252 0.000 1.067 814 A HN 0.528 nan 8.150 nan 0.000 0.451 815 E N -1.445 118.697 120.200 -0.097 0.000 2.227 815 E HA 0.627 4.977 4.350 -0.000 0.000 0.268 815 E C 1.154 177.748 176.600 -0.011 0.000 0.990 815 E CA 0.381 56.754 56.400 -0.046 0.000 0.856 815 E CB 1.685 31.350 29.700 -0.059 0.000 1.159 815 E HN 0.861 nan 8.360 nan 0.000 0.401 816 G N 0.731 109.531 108.800 -0.001 0.000 2.818 816 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.170 816 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.170 816 G C 0.460 175.365 174.900 0.009 0.000 1.345 816 G CA -0.034 45.073 45.100 0.012 0.000 0.861 816 G HN 0.387 nan 8.290 nan 0.000 0.936 817 Q N 0.701 120.503 119.800 0.004 0.000 2.227 817 Q HA 0.264 4.604 4.340 -0.000 0.000 0.332 817 Q C -0.593 175.408 176.000 0.002 0.000 0.878 817 Q CA -0.153 55.653 55.803 0.004 0.000 1.120 817 Q CB 0.505 29.245 28.738 0.004 0.000 1.315 817 Q HN 0.549 nan 8.270 nan 0.000 0.414 818 K N -0.205 120.195 120.400 0.001 0.000 2.499 818 K HA 0.629 4.949 4.320 -0.000 0.000 0.277 818 K C -1.195 175.405 176.600 0.000 0.000 1.025 818 K CA -0.990 55.299 56.287 0.002 0.000 0.900 818 K CB 1.772 34.275 32.500 0.005 0.000 1.494 818 K HN 0.078 nan 8.250 nan 0.000 0.442 819 Q N -0.833 118.968 119.800 0.001 0.000 2.852 819 Q HA 0.433 4.773 4.340 -0.000 0.000 0.250 819 Q C -1.265 174.736 176.000 0.001 0.000 0.988 819 Q CA -0.874 54.929 55.803 -0.001 0.000 0.905 819 Q CB 1.049 29.783 28.738 -0.005 0.000 1.896 819 Q HN 0.833 nan 8.270 nan 0.000 0.464 820 G N 0.885 109.686 108.800 0.002 0.000 3.038 820 G HA2 0.164 4.124 3.960 -0.000 0.000 0.168 820 G HA3 0.164 4.124 3.960 -0.000 0.000 0.168 820 G C -0.686 174.215 174.900 0.001 0.000 1.559 820 G CA -0.172 44.928 45.100 -0.000 0.000 0.990 820 G HN 0.418 nan 8.290 nan 0.000 0.765 821 Q N 0.383 120.182 119.800 -0.001 0.000 2.354 821 Q HA 0.610 4.950 4.340 -0.000 0.000 0.372 821 Q C -0.860 175.140 176.000 0.000 0.000 0.923 821 Q CA -0.150 55.654 55.803 0.001 0.000 1.123 821 Q CB 1.415 30.153 28.738 0.000 0.000 1.298 821 Q HN 0.278 nan 8.270 nan 0.000 0.419 822 L N -0.835 120.390 121.223 0.003 0.000 2.332 822 L HA 0.520 4.860 4.340 -0.000 0.000 0.242 822 L C -0.901 175.977 176.870 0.013 0.000 1.127 822 L CA -1.207 53.634 54.840 0.002 0.000 0.948 822 L CB 1.371 43.427 42.059 -0.004 0.000 1.553 822 L HN 0.213 nan 8.230 nan 0.000 0.419 823 R N 0.260 120.773 120.500 0.022 0.000 2.478 823 R HA 0.062 4.402 4.340 -0.000 0.000 0.281 823 R C -0.588 175.727 176.300 0.025 0.000 0.939 823 R CA 1.546 57.672 56.100 0.042 0.000 1.120 823 R CB 0.099 30.433 30.300 0.056 0.000 0.885 823 R HN 0.613 nan 8.270 nan 0.000 0.415 824 S N 3.769 119.484 115.700 0.026 0.000 3.053 824 S HA 0.169 4.639 4.470 -0.000 0.000 0.255 824 S C -1.179 173.447 174.600 0.044 0.000 0.976 824 S CA -0.585 57.634 58.200 0.032 0.000 1.159 824 S CB 0.472 63.687 63.200 0.024 0.000 1.110 824 S HN 0.510 nan 8.310 nan 0.000 0.633 825 L N 3.222 124.465 121.223 0.034 0.000 2.316 825 L HA 0.476 4.815 4.340 -0.000 0.000 0.280 825 L C -0.527 176.376 176.870 0.055 0.000 1.006 825 L CA -0.356 54.480 54.840 -0.006 0.000 0.836 825 L CB 0.670 42.673 42.059 -0.093 0.000 1.221 825 L HN 0.226 nan 8.230 nan 0.000 0.418 826 H N 6.326 125.387 119.070 -0.014 0.000 2.800 826 H HA 0.496 5.052 4.556 -0.000 0.000 0.291 826 H C -1.359 173.923 175.328 -0.077 0.000 1.076 826 H CA -0.215 55.868 56.048 0.058 0.000 1.452 826 H CB 0.741 30.622 29.762 0.198 0.000 1.461 826 H HN 0.628 nan 8.280 nan 0.000 0.488 827 L N 2.631 123.684 121.223 -0.285 0.000 2.409 827 L HA 0.484 4.824 4.340 -0.000 0.000 0.262 827 L C -0.548 176.189 176.870 -0.222 0.000 0.992 827 L CA -0.864 53.833 54.840 -0.238 0.000 0.817 827 L CB 1.915 43.800 42.059 -0.291 0.000 1.350 827 L HN 0.267 nan 8.230 nan 0.000 0.411 828 T N 1.223 115.697 114.554 -0.132 0.000 2.767 828 T HA 0.626 4.976 4.350 -0.000 0.000 0.284 828 T C -0.687 173.987 174.700 -0.044 0.000 0.973 828 T CA -0.173 61.887 62.100 -0.067 0.000 0.996 828 T CB 0.602 69.473 68.868 0.004 0.000 0.927 828 T HN 0.752 nan 8.240 nan 0.000 0.456 829 c N 3.160 121.757 118.600 -0.005 0.000 2.455 829 c HA 0.685 5.255 4.570 -0.000 0.000 0.320 829 c C -0.598 173.524 174.090 0.053 0.000 1.226 829 c CA -1.055 55.272 56.329 -0.003 0.000 1.569 829 c CB 1.174 43.643 42.510 -0.067 0.000 2.200 829 c HN 0.771 nan 8.230 nan 0.000 0.491 830 D N 1.660 122.092 120.400 0.052 0.000 2.542 830 D HA 0.370 5.010 4.640 -0.000 0.000 0.252 830 D C -0.168 176.166 176.300 0.056 0.000 1.222 830 D CA 0.105 54.148 54.000 0.071 0.000 0.895 830 D CB 1.826 42.681 40.800 0.091 0.000 1.207 830 D HN 0.679 nan 8.370 nan 0.000 0.558 831 S N 0.827 116.547 115.700 0.034 0.000 2.603 831 S HA 0.849 5.319 4.470 -0.000 0.000 0.268 831 S C 0.004 174.603 174.600 -0.002 0.000 1.317 831 S CA -0.560 57.605 58.200 -0.059 0.000 1.012 831 S CB 1.682 64.783 63.200 -0.166 0.000 0.926 831 S HN 0.628 nan 8.310 nan 0.000 0.539 832 A N 1.219 124.016 122.820 -0.038 0.000 2.585 832 A HA 0.647 4.967 4.320 -0.000 0.000 0.299 832 A C -3.335 174.481 177.584 0.386 0.000 1.047 832 A CA -1.289 50.862 52.037 0.191 0.000 0.723 832 A CB 0.672 19.758 19.000 0.142 0.000 1.275 832 A HN 0.640 nan 8.150 nan 0.000 0.408 833 P HA 0.475 nan 4.420 nan 0.000 0.280 833 P C 0.013 177.484 177.300 0.285 0.000 1.244 833 P CA 0.008 63.419 63.100 0.518 0.000 0.784 833 P CB 1.602 33.491 31.700 0.316 0.000 0.913 834 V N 2.818 122.882 119.914 0.250 0.000 3.927 834 V HA 0.282 4.402 4.120 -0.000 0.000 0.190 834 V C 1.489 177.643 176.094 0.100 0.000 1.201 834 V CA 1.000 63.389 62.300 0.148 0.000 1.324 834 V CB -0.955 30.947 31.823 0.132 0.000 1.545 834 V HN 0.676 nan 8.190 nan 0.000 0.534 835 G N -0.218 108.639 108.800 0.095 0.000 2.771 835 G HA2 0.130 4.090 3.960 -0.000 0.000 0.242 835 G HA3 0.130 4.090 3.960 -0.000 0.000 0.242 835 G C 1.274 176.196 174.900 0.038 0.000 1.233 835 G CA 0.736 45.871 45.100 0.058 0.000 0.858 835 G HN 0.314 nan 8.290 nan 0.000 0.591 836 S N -0.763 114.952 115.700 0.025 0.000 2.368 836 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 836 S C 1.112 175.717 174.600 0.007 0.000 1.044 836 S CA 2.183 60.392 58.200 0.014 0.000 1.062 836 S CB -0.222 62.984 63.200 0.010 0.000 0.931 836 S HN 0.668 nan 8.310 nan 0.000 0.440 837 Q N -1.587 118.214 119.800 0.002 0.000 2.759 837 Q HA 0.452 4.792 4.340 -0.000 0.000 0.225 837 Q C -0.225 175.763 176.000 -0.021 0.000 0.823 837 Q CA 0.264 56.059 55.803 -0.014 0.000 0.828 837 Q CB 0.767 29.499 28.738 -0.010 0.000 1.425 837 Q HN 0.546 nan 8.270 nan 0.000 0.449 838 G N 1.638 110.407 108.800 -0.051 0.000 3.638 838 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.196 838 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.196 838 G C 0.121 174.975 174.900 -0.077 0.000 1.315 838 G CA 0.097 45.158 45.100 -0.064 0.000 0.944 838 G HN 0.686 nan 8.290 nan 0.000 0.434 839 T N -0.665 113.895 114.554 0.011 0.000 2.862 839 T HA 0.679 5.029 4.350 -0.000 0.000 0.276 839 T C -0.214 174.622 174.700 0.226 0.000 0.974 839 T CA 0.430 62.599 62.100 0.115 0.000 0.966 839 T CB 2.002 70.934 68.868 0.107 0.000 1.072 839 T HN 1.865 nan 8.240 nan 0.000 0.538 840 W N -1.192 120.005 121.300 -0.171 0.000 3.189 840 W HA 0.612 5.272 4.660 -0.000 0.000 0.314 840 W C -1.693 174.641 176.519 -0.309 0.000 1.204 840 W CA -1.333 55.914 57.345 -0.163 0.000 1.171 840 W CB 0.485 29.902 29.460 -0.072 0.000 1.394 840 W HN 0.861 nan 8.180 nan 0.000 0.568 841 S N 1.097 116.745 115.700 -0.087 0.000 2.475 841 S HA 0.762 5.232 4.470 -0.000 0.000 0.298 841 S C -0.420 174.139 174.600 -0.068 0.000 1.119 841 S CA 0.040 58.187 58.200 -0.088 0.000 1.085 841 S CB 0.789 64.007 63.200 0.030 0.000 1.028 841 S HN 0.768 nan 8.310 nan 0.000 0.489 842 T N 1.825 116.449 114.554 0.118 0.000 2.963 842 T HA 0.519 4.869 4.350 -0.000 0.000 0.343 842 T C 0.143 174.955 174.700 0.187 0.000 1.146 842 T CA -0.761 61.439 62.100 0.167 0.000 1.016 842 T CB 0.271 69.317 68.868 0.296 0.000 1.046 842 T HN 0.621 nan 8.240 nan 0.000 0.496 843 S N 1.518 117.272 115.700 0.089 0.000 2.603 843 S HA 0.560 5.030 4.470 -0.000 0.000 0.268 843 S C -0.040 174.568 174.600 0.014 0.000 1.317 843 S CA -0.787 57.440 58.200 0.046 0.000 1.012 843 S CB 0.524 63.744 63.200 0.033 0.000 0.926 843 S HN 0.859 nan 8.310 nan 0.000 0.539 844 c N 2.700 121.281 118.600 -0.033 0.000 3.171 844 c HA 0.427 4.997 4.570 -0.000 0.000 0.336 844 c C 0.051 174.069 174.090 -0.121 0.000 1.035 844 c CA -0.881 55.391 56.329 -0.094 0.000 1.361 844 c CB -0.231 42.190 42.510 -0.148 0.000 1.804 844 c HN 1.045 nan 8.230 nan 0.000 0.535 845 R N 2.288 122.739 120.500 -0.082 0.000 2.234 845 R HA 0.563 4.903 4.340 -0.000 0.000 0.324 845 R C -0.411 175.818 176.300 -0.119 0.000 1.054 845 R CA -0.347 55.708 56.100 -0.074 0.000 0.912 845 R CB 0.661 30.956 30.300 -0.008 0.000 1.030 845 R HN 0.691 nan 8.270 nan 0.000 0.455 846 I N 4.454 124.920 120.570 -0.173 0.000 2.849 846 I HA -0.182 3.988 4.170 -0.000 0.000 0.288 846 I C 1.243 177.287 176.117 -0.122 0.000 1.156 846 I CA 0.117 61.288 61.300 -0.216 0.000 1.394 846 I CB -0.384 37.454 38.000 -0.269 0.000 1.462 846 I HN 0.788 nan 8.210 nan 0.000 0.587 847 N N 5.138 123.787 118.700 -0.085 0.000 2.002 847 N HA -0.242 4.498 4.740 -0.000 0.000 0.199 847 N C 0.913 176.457 175.510 0.058 0.000 1.067 847 N CA 1.901 54.975 53.050 0.040 0.000 0.870 847 N CB -0.098 38.520 38.487 0.217 0.000 1.073 847 N HN 0.723 nan 8.380 nan 0.000 0.432 848 H N -0.962 118.151 119.070 0.071 0.000 2.328 848 H HA 0.592 5.148 4.556 -0.000 0.000 0.230 848 H C -0.835 174.513 175.328 0.033 0.000 1.481 848 H CA -0.904 55.170 56.048 0.045 0.000 1.306 848 H CB -0.339 29.431 29.762 0.014 0.000 1.531 848 H HN 0.202 nan 8.280 nan 0.000 0.533 849 L N -2.214 119.020 121.223 0.020 0.000 3.167 849 L HA 0.397 4.737 4.340 -0.000 0.000 0.273 849 L C -1.606 175.269 176.870 0.007 0.000 0.969 849 L CA -1.184 53.678 54.840 0.038 0.000 1.033 849 L CB 0.594 42.669 42.059 0.027 0.000 1.544 849 L HN 0.155 nan 8.230 nan 0.000 0.393 850 I N 1.002 121.565 120.570 -0.011 0.000 2.577 850 I HA 0.438 4.608 4.170 -0.000 0.000 0.300 850 I C -0.934 175.200 176.117 0.028 0.000 0.990 850 I CA -0.192 61.054 61.300 -0.091 0.000 1.283 850 I CB 1.529 39.368 38.000 -0.269 0.000 1.411 850 I HN 0.617 nan 8.210 nan 0.000 0.515 851 F N 5.242 125.079 119.950 -0.187 0.000 2.359 851 F HA 0.473 5.000 4.527 -0.000 0.000 0.369 851 F C 0.042 175.766 175.800 -0.127 0.000 1.084 851 F CA -0.719 57.211 58.000 -0.117 0.000 1.096 851 F CB 0.344 39.301 39.000 -0.072 0.000 1.335 851 F HN 0.429 nan 8.300 nan 0.000 0.457 852 R N 3.248 123.647 120.500 -0.169 0.000 2.720 852 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 852 R C 0.528 176.660 176.300 -0.281 0.000 0.991 852 R CA -0.127 55.834 56.100 -0.233 0.000 1.010 852 R CB 1.490 31.708 30.300 -0.137 0.000 1.141 852 R HN 0.848 nan 8.270 nan 0.000 0.494 853 G N 0.443 109.118 108.800 -0.208 0.000 2.606 853 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.285 853 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.285 853 G C 0.629 175.409 174.900 -0.200 0.000 1.311 853 G CA -0.070 44.935 45.100 -0.157 0.000 0.922 853 G HN 0.798 nan 8.290 nan 0.000 0.559 854 G N 0.079 108.815 108.800 -0.108 0.000 3.234 854 G HA2 0.569 4.529 3.960 -0.000 0.000 0.221 854 G HA3 0.569 4.529 3.960 -0.000 0.000 0.221 854 G C 0.792 175.679 174.900 -0.022 0.000 1.229 854 G CA 1.307 46.369 45.100 -0.063 0.000 0.909 854 G HN 1.792 nan 8.290 nan 0.000 0.510 855 A N 0.448 123.220 122.820 -0.079 0.000 2.440 855 A HA 0.536 4.856 4.320 -0.000 0.000 0.251 855 A C 0.506 178.203 177.584 0.188 0.000 1.089 855 A CA -0.346 51.715 52.037 0.041 0.000 0.779 855 A CB 0.279 19.313 19.000 0.057 0.000 1.022 855 A HN 0.588 nan 8.150 nan 0.000 0.492 856 Q N 1.325 121.270 119.800 0.242 0.000 2.248 856 Q HA 0.807 5.147 4.340 -0.000 0.000 0.263 856 Q C -0.662 175.450 176.000 0.187 0.000 1.007 856 Q CA -0.752 55.208 55.803 0.261 0.000 0.877 856 Q CB 1.620 30.423 28.738 0.109 0.000 1.315 856 Q HN 0.847 nan 8.270 nan 0.000 0.454 857 I N -2.037 118.560 120.570 0.044 0.000 2.913 857 I HA 0.671 4.841 4.170 -0.000 0.000 0.302 857 I C -1.236 174.829 176.117 -0.087 0.000 1.246 857 I CA -0.859 60.413 61.300 -0.046 0.000 1.010 857 I CB 2.786 40.694 38.000 -0.153 0.000 1.259 857 I HN 0.789 nan 8.210 nan 0.000 0.434 858 T N 1.776 116.305 114.554 -0.043 0.000 2.879 858 T HA 0.764 5.114 4.350 -0.000 0.000 0.290 858 T C -0.743 173.975 174.700 0.030 0.000 0.993 858 T CA -0.526 61.528 62.100 -0.077 0.000 0.975 858 T CB 1.325 70.124 68.868 -0.116 0.000 0.981 858 T HN 0.714 nan 8.240 nan 0.000 0.439 859 F N 1.221 121.107 119.950 -0.107 0.000 2.654 859 F HA 0.877 5.404 4.527 -0.000 0.000 0.334 859 F C -1.612 174.152 175.800 -0.060 0.000 1.078 859 F CA -2.102 55.847 58.000 -0.084 0.000 0.986 859 F CB 1.447 40.390 39.000 -0.095 0.000 1.362 859 F HN 0.659 nan 8.300 nan 0.000 0.498 860 L N 1.899 123.169 121.223 0.078 0.000 2.349 860 L HA 0.853 5.193 4.340 -0.000 0.000 0.278 860 L C -1.214 175.728 176.870 0.119 0.000 0.996 860 L CA -0.772 54.056 54.840 -0.021 0.000 0.825 860 L CB 1.428 43.477 42.059 -0.017 0.000 1.243 860 L HN 1.032 nan 8.230 nan 0.000 0.412 861 A N 3.262 126.121 122.820 0.066 0.000 2.311 861 A HA 0.714 5.034 4.320 -0.000 0.000 0.306 861 A C -0.545 177.124 177.584 0.141 0.000 1.189 861 A CA -0.392 51.764 52.037 0.199 0.000 0.791 861 A CB 1.312 20.369 19.000 0.094 0.000 1.172 861 A HN 0.594 nan 8.150 nan 0.000 0.481 862 T N 2.477 117.089 114.554 0.096 0.000 2.794 862 T HA 0.587 4.937 4.350 -0.000 0.000 0.280 862 T C -1.001 173.589 174.700 -0.183 0.000 0.987 862 T CA 0.225 62.321 62.100 -0.006 0.000 0.993 862 T CB 0.131 68.949 68.868 -0.085 0.000 0.939 862 T HN 0.332 nan 8.240 nan 0.000 0.449 863 F N 2.300 122.209 119.950 -0.069 0.000 2.402 863 F HA 0.327 4.854 4.527 -0.000 0.000 0.355 863 F C 0.603 176.342 175.800 -0.102 0.000 1.123 863 F CA -1.276 56.659 58.000 -0.108 0.000 1.021 863 F CB 0.981 39.878 39.000 -0.171 0.000 1.160 863 F HN 0.388 nan 8.300 nan 0.000 0.451 864 D N 2.233 122.646 120.400 0.022 0.000 2.424 864 D HA 0.189 4.829 4.640 -0.000 0.000 0.244 864 D C -0.547 175.788 176.300 0.059 0.000 1.134 864 D CA 0.336 54.347 54.000 0.017 0.000 0.881 864 D CB 1.923 42.715 40.800 -0.013 0.000 1.191 864 D HN 0.254 nan 8.370 nan 0.000 0.445 865 V N 2.075 122.014 119.914 0.042 0.000 2.495 865 V HA 0.301 4.421 4.120 -0.000 0.000 0.298 865 V C -0.136 175.992 176.094 0.056 0.000 1.031 865 V CA -0.647 61.684 62.300 0.051 0.000 0.871 865 V CB 1.827 33.659 31.823 0.015 0.000 0.988 865 V HN 0.681 nan 8.190 nan 0.000 0.432 866 S N 6.671 122.420 115.700 0.081 0.000 2.549 866 S HA 0.350 4.820 4.470 -0.000 0.000 0.279 866 S C -1.767 172.883 174.600 0.082 0.000 1.321 866 S CA -0.700 57.550 58.200 0.082 0.000 1.054 866 S CB 1.153 64.412 63.200 0.098 0.000 0.899 866 S HN 0.670 nan 8.310 nan 0.000 0.497 867 P HA -0.031 nan 4.420 nan 0.000 0.221 867 P C 0.306 177.678 177.300 0.120 0.000 1.145 867 P CA 1.141 64.293 63.100 0.087 0.000 0.795 867 P CB 0.082 31.825 31.700 0.072 0.000 0.775 868 K N -0.029 120.439 120.400 0.112 0.000 2.847 868 K HA 0.451 4.771 4.320 -0.000 0.000 0.213 868 K C -0.651 176.027 176.600 0.130 0.000 1.174 868 K CA -0.582 55.778 56.287 0.121 0.000 1.095 868 K CB -0.244 32.309 32.500 0.089 0.000 1.581 868 K HN -0.136 nan 8.250 nan 0.000 0.514 869 A N 2.199 125.121 122.820 0.170 0.000 2.376 869 A HA 0.242 4.562 4.320 -0.000 0.000 0.298 869 A C -0.128 177.577 177.584 0.201 0.000 1.271 869 A CA -0.512 51.623 52.037 0.164 0.000 0.926 869 A CB 0.285 19.367 19.000 0.137 0.000 1.141 869 A HN 0.301 nan 8.150 nan 0.000 0.539 870 V N 4.715 124.709 119.914 0.133 0.000 2.421 870 V HA 0.366 4.486 4.120 -0.000 0.000 0.271 870 V C -0.094 176.071 176.094 0.118 0.000 1.031 870 V CA 0.444 62.808 62.300 0.107 0.000 1.032 870 V CB -0.672 31.184 31.823 0.055 0.000 1.009 870 V HN 0.840 nan 8.190 nan 0.000 0.477 871 L N 3.568 124.884 121.223 0.154 0.000 2.672 871 L HA 0.868 5.208 4.340 -0.000 0.000 0.256 871 L C 0.176 177.137 176.870 0.151 0.000 0.946 871 L CA -0.437 54.484 54.840 0.135 0.000 0.889 871 L CB 0.797 42.932 42.059 0.127 0.000 1.441 871 L HN 0.525 nan 8.230 nan 0.000 0.418 872 G N 0.291 109.150 108.800 0.098 0.000 2.785 872 G HA2 0.196 4.156 3.960 -0.000 0.000 0.256 872 G HA3 0.196 4.156 3.960 -0.000 0.000 0.256 872 G C 0.416 175.381 174.900 0.109 0.000 1.248 872 G CA 0.462 45.611 45.100 0.083 0.000 0.914 872 G HN 1.088 nan 8.290 nan 0.000 0.580 873 D N -1.421 119.026 120.400 0.079 0.000 2.392 873 D HA -0.049 4.591 4.640 -0.000 0.000 0.228 873 D C 0.874 177.192 176.300 0.031 0.000 1.003 873 D CA 0.706 54.749 54.000 0.072 0.000 0.917 873 D CB 0.097 40.919 40.800 0.037 0.000 0.890 873 D HN 0.391 nan 8.370 nan 0.000 0.532 874 R N -0.301 120.216 120.500 0.029 0.000 2.698 874 R HA 0.578 4.918 4.340 -0.000 0.000 0.275 874 R C -1.222 175.090 176.300 0.021 0.000 1.001 874 R CA -1.086 55.021 56.100 0.012 0.000 0.896 874 R CB 1.995 32.303 30.300 0.013 0.000 1.218 874 R HN 0.054 nan 8.270 nan 0.000 0.462 875 L N 0.725 121.953 121.223 0.009 0.000 2.376 875 L HA 0.628 4.968 4.340 -0.000 0.000 0.275 875 L C -0.933 175.960 176.870 0.039 0.000 0.987 875 L CA -0.912 53.943 54.840 0.025 0.000 0.828 875 L CB 1.443 43.506 42.059 0.007 0.000 1.249 875 L HN 0.524 nan 8.230 nan 0.000 0.409 876 L N 2.912 124.170 121.223 0.060 0.000 2.332 876 L HA 1.013 5.353 4.340 -0.000 0.000 0.269 876 L C -0.767 176.170 176.870 0.112 0.000 1.016 876 L CA -0.891 53.997 54.840 0.080 0.000 0.809 876 L CB 1.672 43.766 42.059 0.058 0.000 1.280 876 L HN 0.813 nan 8.230 nan 0.000 0.447 877 L N -1.708 119.612 121.223 0.160 0.000 2.556 877 L HA 0.951 5.291 4.340 -0.000 0.000 0.257 877 L C -0.321 176.736 176.870 0.311 0.000 0.955 877 L CA -0.150 54.809 54.840 0.199 0.000 0.850 877 L CB 1.503 43.643 42.059 0.135 0.000 1.398 877 L HN 0.997 nan 8.230 nan 0.000 0.412 878 T N -1.194 113.547 114.554 0.312 0.000 2.883 878 T HA 0.971 5.321 4.350 -0.000 0.000 0.284 878 T C -0.428 174.536 174.700 0.440 0.000 1.041 878 T CA -0.348 61.960 62.100 0.345 0.000 1.007 878 T CB 1.905 70.883 68.868 0.185 0.000 1.220 878 T HN 1.713 nan 8.240 nan 0.000 0.552 879 A N 1.929 124.974 122.820 0.374 0.000 2.679 879 A HA 0.595 4.915 4.320 -0.000 0.000 0.288 879 A C -0.745 176.885 177.584 0.077 0.000 1.160 879 A CA -0.884 51.244 52.037 0.152 0.000 0.763 879 A CB 0.084 19.310 19.000 0.376 0.000 1.270 879 A HN 0.682 nan 8.150 nan 0.000 0.417 880 N N 0.634 119.332 118.700 -0.002 0.000 2.470 880 N HA 0.370 5.110 4.740 -0.000 0.000 0.268 880 N C -0.639 174.860 175.510 -0.018 0.000 1.136 880 N CA 0.117 53.176 53.050 0.015 0.000 0.961 880 N CB 1.794 40.290 38.487 0.016 0.000 1.067 880 N HN 0.452 nan 8.380 nan 0.000 0.468 881 V N 1.483 121.417 119.914 0.032 0.000 2.588 881 V HA 0.813 4.933 4.120 -0.000 0.000 0.304 881 V C -0.643 175.491 176.094 0.067 0.000 1.042 881 V CA -0.235 62.088 62.300 0.038 0.000 0.877 881 V CB 1.412 33.276 31.823 0.068 0.000 0.996 881 V HN 0.925 nan 8.190 nan 0.000 0.425 882 S N 3.700 119.440 115.700 0.066 0.000 2.672 882 S HA 0.703 5.173 4.470 -0.000 0.000 0.271 882 S C -0.452 174.203 174.600 0.093 0.000 1.171 882 S CA -0.123 58.125 58.200 0.079 0.000 0.817 882 S CB 1.512 64.750 63.200 0.064 0.000 1.150 882 S HN 1.657 nan 8.310 nan 0.000 0.478 883 S N -0.416 115.344 115.700 0.100 0.000 2.693 883 S HA 0.433 4.903 4.470 -0.000 0.000 0.276 883 S C 0.916 175.583 174.600 0.111 0.000 1.192 883 S CA -0.095 58.177 58.200 0.120 0.000 0.994 883 S CB 0.926 64.202 63.200 0.127 0.000 1.012 883 S HN 0.961 nan 8.310 nan 0.000 0.550 884 E N 0.757 121.038 120.200 0.135 0.000 2.209 884 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 884 E C 0.281 176.946 176.600 0.109 0.000 0.993 884 E CA 1.153 57.629 56.400 0.126 0.000 0.819 884 E CB -0.309 29.484 29.700 0.156 0.000 0.745 884 E HN 0.621 nan 8.360 nan 0.000 0.477 885 N N 1.977 120.740 118.700 0.105 0.000 2.466 885 N HA -0.004 4.736 4.740 -0.000 0.000 0.211 885 N C -0.569 174.979 175.510 0.065 0.000 1.256 885 N CA 0.166 53.263 53.050 0.079 0.000 0.840 885 N CB -0.375 38.155 38.487 0.071 0.000 1.079 885 N HN 0.196 nan 8.380 nan 0.000 0.466 886 N N -0.652 118.090 118.700 0.070 0.000 5.925 886 N HA -0.185 4.555 4.740 -0.000 0.000 0.361 886 N C -0.365 175.176 175.510 0.053 0.000 0.922 886 N CA 1.320 54.406 53.050 0.060 0.000 1.177 886 N CB -0.896 37.623 38.487 0.054 0.000 0.806 886 N HN 0.340 nan 8.380 nan 0.000 0.456 887 T N -2.257 112.324 114.554 0.045 0.000 3.149 887 T HA 0.571 4.921 4.350 -0.000 0.000 0.373 887 T C -1.903 172.815 174.700 0.030 0.000 1.364 887 T CA -1.296 60.828 62.100 0.039 0.000 1.110 887 T CB 1.353 70.245 68.868 0.039 0.000 1.127 887 T HN 0.210 nan 8.240 nan 0.000 0.576 888 P HA 0.090 nan 4.420 nan 0.000 0.228 888 P C 0.657 177.964 177.300 0.012 0.000 1.151 888 P CA 0.573 63.683 63.100 0.016 0.000 0.770 888 P CB 0.377 32.083 31.700 0.011 0.000 0.786 889 R N -2.728 117.781 120.500 0.014 0.000 3.315 889 R HA 0.422 4.762 4.340 -0.000 0.000 0.239 889 R C 1.074 177.382 176.300 0.013 0.000 1.532 889 R CA -0.511 55.595 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 -0.341 nan 8.270 nan 0.000 0.512 890 T N 0.272 114.832 114.554 0.011 0.000 2.837 890 T HA -0.028 4.322 4.350 -0.000 0.000 0.242 890 T C 0.749 175.458 174.700 0.015 0.000 1.044 890 T CA 0.785 62.891 62.100 0.011 0.000 1.202 890 T CB -0.168 68.703 68.868 0.006 0.000 0.905 890 T HN 0.333 nan 8.240 nan 0.000 0.413 891 S N 2.590 118.299 115.700 0.016 0.000 2.430 891 S HA 0.272 4.742 4.470 -0.000 0.000 0.289 891 S C -0.214 174.403 174.600 0.029 0.000 1.143 891 S CA -0.830 57.382 58.200 0.020 0.000 1.067 891 S CB -0.013 63.196 63.200 0.016 0.000 0.964 891 S HN 0.059 nan 8.310 nan 0.000 0.485 892 K N 2.878 123.298 120.400 0.034 0.000 2.380 892 K HA 0.068 4.388 4.320 -0.000 0.000 0.267 892 K C 0.596 177.230 176.600 0.057 0.000 0.990 892 K CA 0.042 56.355 56.287 0.045 0.000 0.946 892 K CB 0.416 32.943 32.500 0.045 0.000 0.937 892 K HN 0.595 nan 8.250 nan 0.000 0.491 893 T N 1.487 116.085 114.554 0.073 0.000 3.383 893 T HA 0.118 4.468 4.350 -0.000 0.000 0.324 893 T C -0.383 174.393 174.700 0.127 0.000 1.822 893 T CA -0.591 61.569 62.100 0.099 0.000 1.424 893 T CB -0.636 68.298 68.868 0.109 0.000 1.093 893 T HN 0.585 nan 8.240 nan 0.000 0.748 894 T N 0.965 115.590 114.554 0.118 0.000 2.882 894 T HA 0.637 4.987 4.350 -0.000 0.000 0.287 894 T C -0.603 174.213 174.700 0.194 0.000 0.992 894 T CA -0.815 61.369 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 0.355 nan 8.240 nan 0.000 0.490 895 F N 3.462 123.453 119.950 0.067 0.000 2.477 895 F HA 0.491 5.018 4.527 -0.000 0.000 0.335 895 F C -0.375 175.433 175.800 0.012 0.000 1.130 895 F CA -0.706 57.291 58.000 -0.004 0.000 0.948 895 F CB 1.692 40.638 39.000 -0.089 0.000 1.154 895 F HN 0.917 nan 8.300 nan 0.000 0.439 896 Q N 5.965 125.320 119.800 -0.741 0.000 2.458 896 Q HA 0.835 5.175 4.340 -0.000 0.000 0.282 896 Q C -2.033 173.564 176.000 -0.671 0.000 1.106 896 Q CA -1.225 54.315 55.803 -0.439 0.000 0.814 896 Q CB 3.105 31.758 28.738 -0.142 0.000 1.425 896 Q HN 0.777 nan 8.270 nan 0.000 0.437 897 L N -2.680 118.402 121.223 -0.236 0.000 2.518 897 L HA 0.697 5.037 4.340 -0.000 0.000 0.257 897 L C -1.275 175.618 176.870 0.038 0.000 0.980 897 L CA -0.812 53.952 54.840 -0.127 0.000 0.837 897 L CB 2.340 44.354 42.059 -0.075 0.000 1.410 897 L HN 0.852 nan 8.230 nan 0.000 0.410 898 E N 1.299 121.515 120.200 0.027 0.000 2.222 898 E HA 0.771 5.121 4.350 -0.000 0.000 0.267 898 E C -1.738 174.888 176.600 0.044 0.000 0.884 898 E CA -0.709 55.715 56.400 0.040 0.000 0.764 898 E CB 1.952 31.661 29.700 0.015 0.000 1.169 898 E HN 0.732 nan 8.360 nan 0.000 0.413 899 L N 4.930 126.173 121.223 0.033 0.000 2.362 899 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 899 L C -2.343 174.517 176.870 -0.017 0.000 1.002 899 L CA -2.407 52.438 54.840 0.008 0.000 0.818 899 L CB 2.078 44.125 42.059 -0.021 0.000 1.298 899 L HN 0.433 nan 8.230 nan 0.000 0.420 900 P HA 0.071 nan 4.420 nan 0.000 0.271 900 P C -0.972 176.285 177.300 -0.072 0.000 1.220 900 P CA 0.003 63.083 63.100 -0.034 0.000 0.768 900 P CB 1.116 32.802 31.700 -0.023 0.000 0.848 901 V N 4.622 124.481 119.914 -0.092 0.000 2.555 901 V HA 0.395 4.515 4.120 -0.000 0.000 0.302 901 V C -0.132 175.819 176.094 -0.239 0.000 1.038 901 V CA -0.493 61.691 62.300 -0.193 0.000 0.887 901 V CB 1.420 33.107 31.823 -0.227 0.000 0.991 901 V HN 0.451 nan 8.190 nan 0.000 0.434 902 K N 4.516 124.724 120.400 -0.320 0.000 2.307 902 K HA 0.683 5.003 4.320 -0.000 0.000 0.239 902 K C -1.875 174.404 176.600 -0.535 0.000 1.083 902 K CA -0.758 55.384 56.287 -0.242 0.000 0.913 902 K CB 1.917 34.385 32.500 -0.053 0.000 1.322 902 K HN 0.574 nan 8.250 nan 0.000 0.514 903 Y N -0.543 119.791 120.300 0.056 0.000 2.513 903 Y HA 0.372 4.922 4.550 -0.000 0.000 0.340 903 Y C -0.522 175.483 175.900 0.175 0.000 1.055 903 Y CA -1.125 57.045 58.100 0.116 0.000 1.020 903 Y CB 1.973 40.524 38.460 0.150 0.000 1.301 903 Y HN 0.672 nan 8.280 nan 0.000 0.453 904 A N 1.921 124.900 122.820 0.265 0.000 2.386 904 A HA 0.723 5.043 4.320 -0.000 0.000 0.248 904 A C -0.756 176.941 177.584 0.188 0.000 1.082 904 A CA -0.157 51.997 52.037 0.194 0.000 0.789 904 A CB 0.306 19.389 19.000 0.139 0.000 1.025 904 A HN 0.549 nan 8.150 nan 0.000 0.490 905 V N 0.903 120.900 119.914 0.137 0.000 3.000 905 V HA 0.260 4.380 4.120 -0.000 0.000 0.300 905 V C -1.551 174.601 176.094 0.097 0.000 1.251 905 V CA -0.421 61.912 62.300 0.055 0.000 0.972 905 V CB 1.960 33.705 31.823 -0.131 0.000 1.065 905 V HN 0.841 nan 8.190 nan 0.000 0.431 906 Y N 1.945 122.227 120.300 -0.031 0.000 2.356 906 Y HA 0.641 5.191 4.550 -0.000 0.000 0.334 906 Y C 0.100 176.008 175.900 0.014 0.000 0.958 906 Y CA -0.061 58.039 58.100 0.000 0.000 1.196 906 Y CB 1.587 40.056 38.460 0.015 0.000 1.137 906 Y HN 0.677 nan 8.280 nan 0.000 0.485 907 T N 5.772 120.219 114.554 -0.180 0.000 2.864 907 T HA 0.538 4.888 4.350 -0.000 0.000 0.299 907 T C -0.957 173.700 174.700 -0.073 0.000 1.011 907 T CA -0.555 61.507 62.100 -0.064 0.000 0.975 907 T CB 0.840 69.647 68.868 -0.101 0.000 0.962 907 T HN 0.303 nan 8.240 nan 0.000 0.448 908 V N 3.058 122.981 119.914 0.015 0.000 2.960 908 V HA 0.845 4.965 4.120 -0.000 0.000 0.315 908 V C -0.688 175.444 176.094 0.063 0.000 1.087 908 V CA -0.825 61.520 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 0.629 nan 8.190 nan 0.000 0.437 909 V N 2.188 122.127 119.914 0.043 0.000 2.711 909 V HA 0.741 4.861 4.120 -0.000 0.000 0.304 909 V C -0.622 175.490 176.094 0.030 0.000 1.097 909 V CA 0.132 62.442 62.300 0.017 0.000 0.906 909 V CB 2.305 34.109 31.823 -0.033 0.000 1.015 909 V HN 0.994 nan 8.190 nan 0.000 0.427 910 S N 3.781 119.520 115.700 0.064 0.000 2.689 910 S HA 0.675 5.145 4.470 -0.000 0.000 0.306 910 S C -0.443 174.266 174.600 0.181 0.000 1.104 910 S CA -0.092 58.151 58.200 0.071 0.000 0.973 910 S CB 1.996 65.208 63.200 0.020 0.000 1.121 910 S HN 1.191 nan 8.310 nan 0.000 0.523 911 S N 1.883 117.654 115.700 0.117 0.000 2.466 911 S HA 0.264 4.734 4.470 -0.000 0.000 0.313 911 S C -0.168 174.441 174.600 0.015 0.000 1.078 911 S CA -0.504 57.698 58.200 0.003 0.000 1.115 911 S CB -0.600 62.556 63.200 -0.073 0.000 1.006 911 S HN 0.796 nan 8.310 nan 0.000 0.487 912 H N 3.205 122.226 119.070 -0.082 0.000 3.038 912 H HA -0.020 4.536 4.556 -0.000 0.000 0.338 912 H C 1.367 176.694 175.328 -0.001 0.000 1.041 912 H CA 0.816 56.845 56.048 -0.032 0.000 1.394 912 H CB 0.712 30.459 29.762 -0.025 0.000 1.357 912 H HN 0.834 nan 8.280 nan 0.000 0.600 913 E N 3.191 123.301 120.200 -0.150 0.000 2.512 913 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 913 E C 0.056 176.552 176.600 -0.172 0.000 1.083 913 E CA 0.230 56.574 56.400 -0.094 0.000 0.873 913 E CB 0.065 29.733 29.700 -0.052 0.000 0.897 913 E HN 0.645 nan 8.360 nan 0.000 0.514 914 Q N 1.193 120.783 119.800 -0.350 0.000 2.938 914 Q HA 0.154 4.494 4.340 -0.000 0.000 0.343 914 Q C -1.044 174.913 176.000 -0.073 0.000 1.185 914 Q CA -0.341 55.329 55.803 -0.222 0.000 0.939 914 Q CB -0.307 28.280 28.738 -0.252 0.000 1.480 914 Q HN 0.344 nan 8.270 nan 0.000 0.442 915 F N -1.221 118.621 119.950 -0.180 0.000 2.469 915 F HA 0.394 4.921 4.527 -0.000 0.000 0.332 915 F C -0.230 175.475 175.800 -0.158 0.000 1.103 915 F CA -0.791 57.091 58.000 -0.197 0.000 0.979 915 F CB 1.463 40.353 39.000 -0.184 0.000 1.137 915 F HN -0.231 nan 8.300 nan 0.000 0.463 916 T N 5.302 119.498 114.554 -0.597 0.000 2.992 916 T HA 0.152 4.502 4.350 -0.000 0.000 0.299 916 T C -0.203 174.126 174.700 -0.618 0.000 1.027 916 T CA -0.319 61.484 62.100 -0.495 0.000 1.001 916 T CB -0.420 68.346 68.868 -0.171 0.000 1.005 916 T HN 0.575 nan 8.240 nan 0.000 0.599 917 K N 3.061 122.964 120.400 -0.828 0.000 2.354 917 K HA 0.255 4.575 4.320 -0.000 0.000 0.257 917 K C 0.031 176.496 176.600 -0.226 0.000 1.062 917 K CA -0.705 55.290 56.287 -0.487 0.000 0.971 917 K CB 0.254 32.459 32.500 -0.492 0.000 1.305 917 K HN 0.725 nan 8.250 nan 0.000 0.449 918 Y N 3.557 123.743 120.300 -0.190 0.000 2.500 918 Y HA 0.210 4.760 4.550 -0.000 0.000 0.246 918 Y C 0.026 175.829 175.900 -0.161 0.000 1.146 918 Y CA -1.102 56.912 58.100 -0.143 0.000 1.230 918 Y CB -0.432 37.986 38.460 -0.071 0.000 1.214 918 Y HN 0.302 nan 8.280 nan 0.000 0.526 919 L N 2.736 123.575 121.223 -0.640 0.000 2.714 919 L HA 0.095 4.435 4.340 -0.000 0.000 0.301 919 L C -0.323 176.361 176.870 -0.309 0.000 1.248 919 L CA 0.071 54.595 54.840 -0.527 0.000 0.885 919 L CB -0.119 41.681 42.059 -0.431 0.000 1.143 919 L HN 0.616 nan 8.230 nan 0.000 0.500 920 N N 1.517 120.056 118.700 -0.268 0.000 3.043 920 N HA 0.197 4.937 4.740 -0.000 0.000 0.243 920 N C -0.109 175.270 175.510 -0.218 0.000 1.347 920 N CA -0.748 52.126 53.050 -0.294 0.000 0.896 920 N CB 0.108 38.547 38.487 -0.079 0.000 1.501 920 N HN 0.420 nan 8.380 nan 0.000 0.504 921 F N 0.695 120.656 119.950 0.019 0.000 2.451 921 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 921 F C 1.615 177.428 175.800 0.022 0.000 1.101 921 F CA 0.725 58.752 58.000 0.045 0.000 1.436 921 F CB -0.234 38.800 39.000 0.056 0.000 1.074 921 F HN 0.523 nan 8.300 nan 0.000 0.553 922 S N 0.856 116.640 115.700 0.140 0.000 2.670 922 S HA 0.154 4.624 4.470 -0.000 0.000 0.328 922 S C -0.052 174.533 174.600 -0.025 0.000 1.179 922 S CA -0.373 57.856 58.200 0.049 0.000 1.194 922 S CB 0.142 63.351 63.200 0.016 0.000 1.359 922 S HN 0.318 nan 8.310 nan 0.000 0.555 923 E N 2.496 122.683 120.200 -0.022 0.000 3.132 923 E HA 0.292 4.642 4.350 -0.000 0.000 0.241 923 E C 0.628 177.180 176.600 -0.079 0.000 1.196 923 E CA -0.201 56.154 56.400 -0.074 0.000 0.869 923 E CB 0.325 30.010 29.700 -0.026 0.000 1.387 923 E HN 0.614 nan 8.360 nan 0.000 0.393 924 S N 1.627 117.271 115.700 -0.093 0.000 2.371 924 S HA 0.171 4.641 4.470 -0.000 0.000 0.219 924 S C 0.610 175.163 174.600 -0.078 0.000 1.040 924 S CA 0.155 58.309 58.200 -0.076 0.000 0.958 924 S CB 0.079 63.239 63.200 -0.065 0.000 0.860 924 S HN 0.262 nan 8.310 nan 0.000 0.487 925 E N 0.861 121.001 120.200 -0.099 0.000 2.396 925 E HA 0.525 4.875 4.350 -0.000 0.000 0.251 925 E C -1.186 175.357 176.600 -0.095 0.000 0.949 925 E CA -0.688 55.664 56.400 -0.079 0.000 0.834 925 E CB 0.807 30.468 29.700 -0.065 0.000 1.309 925 E HN 0.304 nan 8.360 nan 0.000 0.405 926 E N 0.994 121.171 120.200 -0.039 0.000 2.079 926 E HA 0.208 4.558 4.350 -0.000 0.000 0.252 926 E C -0.632 175.993 176.600 0.043 0.000 0.992 926 E CA -0.203 56.208 56.400 0.019 0.000 0.829 926 E CB 0.656 30.389 29.700 0.055 0.000 1.158 926 E HN 0.190 nan 8.360 nan 0.000 0.435 927 K N 1.118 121.506 120.400 -0.020 0.000 2.868 927 K HA 0.173 4.493 4.320 -0.000 0.000 0.304 927 K C 1.077 177.838 176.600 0.268 0.000 1.007 927 K CA -0.243 56.063 56.287 0.033 0.000 1.123 927 K CB 0.597 33.022 32.500 -0.125 0.000 1.408 927 K HN 0.333 nan 8.250 nan 0.000 0.522 928 E N -0.861 119.504 120.200 0.276 0.000 3.100 928 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 928 E C 0.171 176.983 176.600 0.355 0.000 1.097 928 E CA -0.349 56.240 56.400 0.315 0.000 1.339 928 E CB 0.281 30.091 29.700 0.183 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 0.260 0.000 2.921 929 S HA 0.125 4.595 4.470 -0.000 0.000 0.244 929 S C -0.692 174.026 174.600 0.196 0.000 1.291 929 S CA -0.612 57.702 58.200 0.189 0.000 1.010 929 S CB -0.173 63.089 63.200 0.103 0.000 1.255 929 S HN 0.424 nan 8.310 nan 0.000 0.492 930 H N 4.241 123.387 119.070 0.127 0.000 2.502 930 H HA 0.198 4.754 4.556 -0.000 0.000 0.268 930 H C 0.371 175.629 175.328 -0.116 0.000 1.177 930 H CA -0.277 55.746 56.048 -0.042 0.000 0.961 930 H CB 0.312 29.996 29.762 -0.130 0.000 1.737 930 H HN 0.506 nan 8.280 nan 0.000 0.569 931 V N 1.828 121.726 119.914 -0.026 0.000 2.964 931 V HA -0.089 4.031 4.120 -0.000 0.000 0.286 931 V C 0.085 176.182 176.094 0.004 0.000 1.363 931 V CA 0.905 63.238 62.300 0.055 0.000 1.411 931 V CB -0.465 31.380 31.823 0.037 0.000 0.835 931 V HN 0.613 nan 8.190 nan 0.000 0.487 932 A N 7.790 130.708 122.820 0.163 0.000 2.269 932 A HA 0.840 5.160 4.320 -0.000 0.000 0.319 932 A C -0.138 177.547 177.584 0.169 0.000 1.110 932 A CA -0.735 51.352 52.037 0.084 0.000 0.847 932 A CB 1.176 20.176 19.000 0.000 0.000 1.161 932 A HN 1.093 nan 8.150 nan 0.000 0.497 933 M N 2.273 121.868 119.600 -0.008 0.000 2.060 933 M HA 0.256 4.736 4.480 -0.000 0.000 0.275 933 M C -1.419 174.840 176.300 -0.068 0.000 0.919 933 M CA -0.115 55.200 55.300 0.025 0.000 0.970 933 M CB 0.945 33.538 32.600 -0.012 0.000 1.670 933 M HN 0.804 nan 8.290 nan 0.000 0.440 934 H N 3.713 122.853 119.070 0.117 0.000 2.685 934 H HA 0.283 4.839 4.556 -0.000 0.000 0.286 934 H C -0.521 174.744 175.328 -0.106 0.000 1.102 934 H CA -0.293 55.755 56.048 0.001 0.000 1.254 934 H CB 0.805 30.594 29.762 0.045 0.000 1.397 934 H HN 0.542 nan 8.280 nan 0.000 0.473 935 R N 3.638 124.111 120.500 -0.045 0.000 2.254 935 R HA 0.225 4.565 4.340 -0.000 0.000 0.318 935 R C -1.283 174.937 176.300 -0.133 0.000 1.031 935 R CA -0.421 55.684 56.100 0.009 0.000 0.905 935 R CB 0.535 30.913 30.300 0.129 0.000 1.050 935 R HN 0.456 nan 8.270 nan 0.000 0.456 936 Y N 2.418 122.785 120.300 0.112 0.000 2.376 936 Y HA 0.259 4.809 4.550 -0.000 0.000 0.340 936 Y C -0.087 175.742 175.900 -0.117 0.000 0.965 936 Y CA -0.680 57.453 58.100 0.055 0.000 1.078 936 Y CB 2.315 40.873 38.460 0.164 0.000 1.193 936 Y HN 0.417 nan 8.280 nan 0.000 0.452 937 Q N 2.458 122.286 119.800 0.047 0.000 2.312 937 Q HA 0.696 5.036 4.340 -0.000 0.000 0.263 937 Q C -1.462 174.504 176.000 -0.056 0.000 0.995 937 Q CA -1.002 54.749 55.803 -0.085 0.000 0.853 937 Q CB 3.284 31.941 28.738 -0.135 0.000 1.300 937 Q HN 0.501 nan 8.270 nan 0.000 0.448 938 V N 2.745 122.607 119.914 -0.086 0.000 2.925 938 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 938 V C -1.950 174.234 176.094 0.151 0.000 1.104 938 V CA -0.441 61.844 62.300 -0.025 0.000 0.954 938 V CB 2.378 34.101 31.823 -0.168 0.000 1.022 938 V HN 1.049 nan 8.190 nan 0.000 0.427 939 N N 2.448 121.300 118.700 0.253 0.000 2.636 939 N HA 0.376 5.116 4.740 -0.000 0.000 0.261 939 N C -1.997 173.720 175.510 0.345 0.000 1.195 939 N CA -0.772 52.499 53.050 0.368 0.000 0.902 939 N CB 1.243 39.822 38.487 0.153 0.000 1.627 939 N HN 0.630 nan 8.380 nan 0.000 0.491 940 N N 1.113 119.966 118.700 0.255 0.000 2.407 940 N HA 0.311 5.051 4.740 -0.000 0.000 0.277 940 N C -0.871 174.709 175.510 0.117 0.000 0.995 940 N CA -0.647 52.529 53.050 0.210 0.000 0.903 940 N CB 1.384 39.996 38.487 0.207 0.000 1.218 940 N HN 0.522 nan 8.380 nan 0.000 0.487 941 L N 1.608 122.978 121.223 0.244 0.000 2.653 941 L HA 0.324 4.664 4.340 -0.000 0.000 0.232 941 L C 1.666 178.592 176.870 0.094 0.000 1.169 941 L CA -0.107 54.812 54.840 0.132 0.000 0.951 941 L CB -0.521 41.570 42.059 0.054 0.000 1.181 941 L HN 0.785 nan 8.230 nan 0.000 0.460 942 G N -0.353 108.517 108.800 0.117 0.000 2.418 942 G HA2 0.097 4.057 3.960 -0.000 0.000 0.276 942 G HA3 0.097 4.057 3.960 -0.000 0.000 0.276 942 G C 0.390 175.314 174.900 0.039 0.000 1.442 942 G CA -0.161 44.986 45.100 0.078 0.000 1.066 942 G HN 0.434 nan 8.290 nan 0.000 0.553 943 Q N -1.126 118.695 119.800 0.034 0.000 2.023 943 Q HA 0.246 4.586 4.340 -0.000 0.000 0.221 943 Q C -0.200 175.814 176.000 0.023 0.000 0.806 943 Q CA -0.053 55.772 55.803 0.036 0.000 1.052 943 Q CB 1.445 30.217 28.738 0.056 0.000 1.229 943 Q HN 0.347 nan 8.270 nan 0.000 0.440 944 R N 0.761 121.255 120.500 -0.009 0.000 2.584 944 R HA 0.238 4.578 4.340 -0.000 0.000 0.276 944 R C -1.627 174.620 176.300 -0.089 0.000 1.046 944 R CA -0.790 55.293 56.100 -0.029 0.000 0.906 944 R CB 1.612 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 3.712 124.068 120.400 -0.072 0.000 2.417 945 D HA 0.243 4.883 4.640 -0.000 0.000 0.250 945 D C -0.437 175.792 176.300 -0.118 0.000 1.166 945 D CA 0.363 54.311 54.000 -0.087 0.000 0.881 945 D CB 0.647 41.419 40.800 -0.046 0.000 1.164 945 D HN 0.276 nan 8.370 nan 0.000 0.467 946 L N 0.187 121.314 121.223 -0.159 0.000 2.543 946 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 946 L C -3.034 173.770 176.870 -0.110 0.000 0.945 946 L CA -2.079 52.584 54.840 -0.294 0.000 0.869 946 L CB 2.009 43.555 42.059 -0.854 0.000 1.294 946 L HN -0.033 nan 8.230 nan 0.000 0.405 947 P HA 0.329 nan 4.420 nan 0.000 0.267 947 P C -0.717 176.610 177.300 0.044 0.000 1.200 947 P CA -0.162 62.968 63.100 0.051 0.000 0.772 947 P CB 1.038 32.789 31.700 0.085 0.000 0.855 948 V N -1.421 118.518 119.914 0.041 0.000 3.206 948 V HA 0.823 4.943 4.120 -0.000 0.000 0.305 948 V C -0.968 175.123 176.094 -0.005 0.000 1.257 948 V CA -0.835 61.485 62.300 0.033 0.000 1.057 948 V CB 2.159 33.935 31.823 -0.078 0.000 1.075 948 V HN 0.437 nan 8.190 nan 0.000 0.443 949 S N 1.326 117.021 115.700 -0.009 0.000 2.779 949 S HA 0.661 5.131 4.470 -0.000 0.000 0.293 949 S C -0.858 173.677 174.600 -0.108 0.000 1.150 949 S CA -0.541 57.625 58.200 -0.057 0.000 1.057 949 S CB 0.446 63.622 63.200 -0.040 0.000 1.021 949 S HN 0.739 nan 8.310 nan 0.000 0.485 950 I N 5.026 125.504 120.570 -0.153 0.000 2.337 950 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 950 I C 0.423 176.301 176.117 -0.399 0.000 1.046 950 I CA -0.341 60.802 61.300 -0.262 0.000 1.324 950 I CB 0.705 38.598 38.000 -0.177 0.000 1.409 950 I HN 0.598 nan 8.210 nan 0.000 0.494 951 N N 5.083 123.517 118.700 -0.443 0.000 2.495 951 N HA 0.618 5.357 4.740 -0.000 0.000 0.280 951 N C -1.063 173.987 175.510 -0.766 0.000 1.168 951 N CA -0.292 52.464 53.050 -0.489 0.000 0.978 951 N CB 1.209 39.492 38.487 -0.340 0.000 1.191 951 N HN 0.261 nan 8.380 nan 0.000 0.497 952 F N -0.223 119.426 119.950 -0.503 0.000 2.675 952 F HA 0.561 5.088 4.527 -0.000 0.000 0.324 952 F C -1.258 174.075 175.800 -0.779 0.000 1.106 952 F CA -0.597 57.161 58.000 -0.403 0.000 0.970 952 F CB 1.360 40.288 39.000 -0.119 0.000 1.385 952 F HN 0.417 nan 8.300 nan 0.000 0.489 953 W N 1.143 122.655 121.300 0.353 0.000 2.822 953 W HA 0.651 5.311 4.660 -0.000 0.000 0.317 953 W C -1.953 174.688 176.519 0.203 0.000 1.033 953 W CA -0.636 56.842 57.345 0.220 0.000 1.252 953 W CB 1.397 30.925 29.460 0.114 0.000 1.186 953 W HN 0.158 nan 8.180 nan 0.000 0.383 954 V N 4.581 124.732 119.914 0.395 0.000 2.407 954 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 954 V C -2.044 174.242 176.094 0.319 0.000 1.018 954 V CA -2.308 60.202 62.300 0.349 0.000 0.842 954 V CB 1.926 33.915 31.823 0.276 0.000 0.996 954 V HN 0.136 nan 8.190 nan 0.000 0.426 955 P HA 0.247 nan 4.420 nan 0.000 0.267 955 P C -0.038 177.400 177.300 0.230 0.000 1.200 955 P CA 0.459 63.662 63.100 0.170 0.000 0.772 955 P CB 1.249 32.965 31.700 0.026 0.000 0.855 956 V N 0.444 120.403 119.914 0.076 0.000 5.804 956 V HA 0.110 4.230 4.120 -0.000 0.000 0.088 956 V C 0.012 176.084 176.094 -0.036 0.000 0.886 956 V CA -0.259 62.075 62.300 0.057 0.000 1.231 956 V CB -0.674 31.159 31.823 0.016 0.000 2.101 956 V HN 0.323 nan 8.190 nan 0.000 0.525 957 E N 2.260 122.440 120.200 -0.032 0.000 2.568 957 E HA 0.155 4.505 4.350 -0.000 0.000 0.262 957 E C -0.752 175.787 176.600 -0.101 0.000 0.961 957 E CA 0.474 56.846 56.400 -0.047 0.000 0.945 957 E CB 0.501 30.181 29.700 -0.033 0.000 0.924 957 E HN 0.396 nan 8.360 nan 0.000 0.467 958 L N 4.307 125.466 121.223 -0.107 0.000 2.492 958 L HA 0.224 4.564 4.340 -0.000 0.000 0.259 958 L C -0.523 176.271 176.870 -0.127 0.000 1.229 958 L CA -0.179 54.557 54.840 -0.174 0.000 0.903 958 L CB 0.054 41.960 42.059 -0.255 0.000 1.114 958 L HN 0.535 nan 8.230 nan 0.000 0.494 959 N N 3.185 121.823 118.700 -0.104 0.000 2.746 959 N HA -0.263 4.477 4.740 -0.000 0.000 0.250 959 N C 0.641 176.152 175.510 0.001 0.000 1.055 959 N CA 1.583 54.608 53.050 -0.042 0.000 0.699 959 N CB -1.009 37.451 38.487 -0.045 0.000 0.919 959 N HN 0.970 nan 8.380 nan 0.000 0.548 960 Q N -2.097 117.703 119.800 -0.000 0.000 2.261 960 Q HA -0.341 3.999 4.340 -0.000 0.000 0.155 960 Q C -0.718 175.303 176.000 0.034 0.000 0.598 960 Q CA 2.179 57.993 55.803 0.018 0.000 1.376 960 Q CB -0.997 27.758 28.738 0.029 0.000 1.356 960 Q HN 0.623 nan 8.270 nan 0.000 0.947 961 E N 0.927 121.152 120.200 0.041 0.000 1.996 961 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 961 E C -0.583 176.068 176.600 0.084 0.000 1.092 961 E CA 0.693 57.147 56.400 0.090 0.000 0.862 961 E CB 0.685 30.464 29.700 0.132 0.000 1.066 961 E HN 0.423 nan 8.360 nan 0.000 0.396 962 A N 3.702 126.580 122.820 0.096 0.000 2.531 962 A HA 0.073 4.393 4.320 -0.000 0.000 0.236 962 A C 1.009 178.667 177.584 0.124 0.000 1.062 962 A CA -0.223 51.866 52.037 0.086 0.000 0.760 962 A CB 0.562 19.623 19.000 0.102 0.000 0.995 962 A HN 0.607 nan 8.150 nan 0.000 0.501 963 V N 1.865 121.777 119.914 -0.003 0.000 2.326 963 V HA 0.096 4.216 4.120 -0.000 0.000 0.238 963 V C 0.493 176.768 176.094 0.302 0.000 1.038 963 V CA 1.777 63.955 62.300 -0.203 0.000 1.032 963 V CB -0.381 31.128 31.823 -0.523 0.000 0.675 963 V HN 1.037 nan 8.190 nan 0.000 0.467 964 W N -0.323 120.971 121.300 -0.010 0.000 3.259 964 W HA 0.756 5.416 4.660 -0.000 0.000 0.331 964 W C -1.411 175.132 176.519 0.041 0.000 1.144 964 W CA -2.205 55.172 57.345 0.053 0.000 1.227 964 W CB 0.218 29.718 29.460 0.067 0.000 1.371 964 W HN 0.078 nan 8.180 nan 0.000 0.491 965 M N 3.131 122.792 119.600 0.102 0.000 2.513 965 M HA 0.308 4.788 4.480 -0.000 0.000 0.291 965 M C 0.148 176.390 176.300 -0.096 0.000 1.190 965 M CA -0.469 54.824 55.300 -0.011 0.000 0.960 965 M CB 0.565 33.195 32.600 0.049 0.000 1.517 965 M HN 0.403 nan 8.290 nan 0.000 0.499 966 D N 0.193 120.543 120.400 -0.084 0.000 2.692 966 D HA -0.107 4.533 4.640 -0.000 0.000 0.233 966 D C -1.072 175.136 176.300 -0.153 0.000 1.172 966 D CA 0.420 54.370 54.000 -0.084 0.000 0.636 966 D CB -1.523 39.252 40.800 -0.042 0.000 1.028 966 D HN 0.281 nan 8.370 nan 0.000 0.419 967 V N 0.443 120.209 119.914 -0.245 0.000 2.432 967 V HA 0.282 4.402 4.120 -0.000 0.000 0.271 967 V C 0.869 176.841 176.094 -0.203 0.000 1.046 967 V CA 0.096 62.166 62.300 -0.383 0.000 0.945 967 V CB 1.596 32.985 31.823 -0.725 0.000 0.992 967 V HN 0.085 nan 8.190 nan 0.000 0.471 968 E N 2.536 122.597 120.200 -0.232 0.000 2.431 968 E HA 0.686 5.036 4.350 -0.000 0.000 0.268 968 E C -1.529 174.888 176.600 -0.305 0.000 0.953 968 E CA -0.883 55.409 56.400 -0.181 0.000 0.810 968 E CB 2.801 32.453 29.700 -0.080 0.000 1.369 968 E HN 0.407 nan 8.360 nan 0.000 0.440 969 V N 1.115 120.867 119.914 -0.270 0.000 2.443 969 V HA 0.366 4.486 4.120 -0.000 0.000 0.293 969 V C -0.747 175.275 176.094 -0.121 0.000 1.021 969 V CA -0.243 61.894 62.300 -0.273 0.000 0.848 969 V CB 1.499 33.068 31.823 -0.424 0.000 0.998 969 V HN 0.635 nan 8.190 nan 0.000 0.424 970 S N 4.772 120.449 115.700 -0.040 0.000 2.584 970 S HA 0.397 4.866 4.470 -0.000 0.000 0.273 970 S C -0.325 174.362 174.600 0.144 0.000 1.311 970 S CA -0.110 58.112 58.200 0.036 0.000 1.034 970 S CB 0.367 63.592 63.200 0.042 0.000 0.939 970 S HN 1.016 nan 8.310 nan 0.000 0.513 971 H N 4.242 123.323 119.070 0.018 0.000 2.336 971 H HA 0.514 5.070 4.556 -0.000 0.000 0.230 971 H C -2.779 172.608 175.328 0.099 0.000 1.426 971 H CA -2.103 53.992 56.048 0.079 0.000 1.359 971 H CB 0.054 29.794 29.762 -0.037 0.000 1.555 971 H HN 0.398 nan 8.280 nan 0.000 0.512 972 P HA 0.051 nan 4.420 nan 0.000 0.274 972 P C 0.061 177.275 177.300 -0.144 0.000 1.260 972 P CA -0.014 63.051 63.100 -0.057 0.000 0.793 972 P CB 0.673 32.385 31.700 0.019 0.000 1.048 973 Q N -2.037 117.701 119.800 -0.102 0.000 2.422 973 Q HA -0.207 4.133 4.340 -0.000 0.000 0.245 973 Q C -0.615 175.301 176.000 -0.140 0.000 0.922 973 Q CA 1.378 57.129 55.803 -0.088 0.000 1.192 973 Q CB -2.163 26.546 28.738 -0.048 0.000 1.641 973 Q HN 0.616 nan 8.270 nan 0.000 0.552 974 N N -0.575 117.958 118.700 -0.277 0.000 2.745 974 N HA 0.322 5.062 4.740 -0.000 0.000 0.256 974 N C -2.738 172.612 175.510 -0.267 0.000 1.268 974 N CA -1.085 51.776 53.050 -0.315 0.000 0.887 974 N CB 1.790 39.950 38.487 -0.545 0.000 1.575 974 N HN -0.222 nan 8.380 nan 0.000 0.496 975 P HA -0.034 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 0.049 63.164 63.100 0.024 0.000 0.788 975 P CB 0.188 31.927 31.700 0.065 0.000 0.883 976 S N 0.800 116.540 115.700 0.067 0.000 2.503 976 S HA 0.247 4.717 4.470 -0.000 0.000 0.317 976 S C 0.223 174.874 174.600 0.085 0.000 1.162 976 S CA -0.588 57.659 58.200 0.079 0.000 1.124 976 S CB -0.897 62.325 63.200 0.036 0.000 1.207 976 S HN 0.175 nan 8.310 nan 0.000 0.538 977 L N 3.079 124.374 121.223 0.121 0.000 2.439 977 L HA 0.489 4.829 4.340 -0.000 0.000 0.259 977 L C 0.993 177.846 176.870 -0.027 0.000 1.129 977 L CA -0.174 54.683 54.840 0.029 0.000 0.803 977 L CB 0.564 42.594 42.059 -0.048 0.000 1.161 977 L HN 0.610 nan 8.230 nan 0.000 0.462 978 R N 0.289 120.765 120.500 -0.041 0.000 2.312 978 R HA 0.562 4.902 4.340 -0.000 0.000 0.311 978 R C -1.236 175.025 176.300 -0.065 0.000 1.004 978 R CA -0.481 55.593 56.100 -0.042 0.000 0.902 978 R CB 0.903 31.186 30.300 -0.028 0.000 1.073 978 R HN 0.487 nan 8.270 nan 0.000 0.457 979 c N 1.029 119.599 118.600 -0.051 0.000 2.634 979 c HA 0.517 5.087 4.570 -0.000 0.000 0.313 979 c C 0.409 174.483 174.090 -0.027 0.000 1.198 979 c CA -0.583 55.724 56.329 -0.036 0.000 1.605 979 c CB 2.052 44.558 42.510 -0.007 0.000 2.196 979 c HN 0.817 nan 8.230 nan 0.000 0.486 980 S N 1.128 116.798 115.700 -0.050 0.000 2.690 980 S HA 0.859 5.329 4.470 -0.000 0.000 0.291 980 S C -0.421 174.046 174.600 -0.221 0.000 1.138 980 S CA -0.285 57.849 58.200 -0.109 0.000 1.013 980 S CB 0.943 64.075 63.200 -0.113 0.000 1.053 980 S HN 1.077 nan 8.310 nan 0.000 0.539 981 S N 1.899 117.429 115.700 -0.284 0.000 2.575 981 S HA 0.674 5.144 4.470 -0.000 0.000 0.278 981 S C -1.552 172.846 174.600 -0.335 0.000 1.139 981 S CA -0.856 57.056 58.200 -0.481 0.000 0.954 981 S CB 1.430 64.356 63.200 -0.456 0.000 1.054 981 S HN 0.725 nan 8.310 nan 0.000 0.483 982 E N 1.365 121.351 120.200 -0.357 0.000 2.311 982 E HA 0.325 4.675 4.350 -0.000 0.000 0.281 982 E C -1.341 175.156 176.600 -0.171 0.000 0.905 982 E CA -0.757 55.516 56.400 -0.211 0.000 0.778 982 E CB 2.307 31.914 29.700 -0.155 0.000 1.240 982 E HN 0.577 nan 8.360 nan 0.000 0.410 983 K N 2.698 123.030 120.400 -0.113 0.000 2.144 983 K HA 0.624 4.943 4.320 -0.000 0.000 0.270 983 K C -0.050 176.538 176.600 -0.020 0.000 1.005 983 K CA -0.418 55.831 56.287 -0.064 0.000 0.932 983 K CB 0.954 33.419 32.500 -0.058 0.000 1.021 983 K HN 0.464 nan 8.250 nan 0.000 0.462 984 I N -2.106 118.472 120.570 0.013 0.000 2.752 984 I HA 0.576 4.746 4.170 -0.000 0.000 0.295 984 I C -1.272 174.856 176.117 0.018 0.000 1.219 984 I CA -1.160 60.157 61.300 0.029 0.000 1.030 984 I CB 2.340 40.386 38.000 0.077 0.000 1.259 984 I HN 0.515 nan 8.210 nan 0.000 0.423 985 A N 5.325 128.148 122.820 0.005 0.000 2.260 985 A HA 0.873 5.193 4.320 -0.000 0.000 0.314 985 A C -2.303 175.274 177.584 -0.012 0.000 1.257 985 A CA -1.345 50.687 52.037 -0.007 0.000 0.871 985 A CB -0.126 18.869 19.000 -0.008 0.000 1.166 985 A HN 0.686 nan 8.150 nan 0.000 0.522 986 P HA 0.194 nan 4.420 nan 0.000 0.280 986 P C -1.573 175.709 177.300 -0.030 0.000 1.278 986 P CA -0.806 62.270 63.100 -0.041 0.000 0.787 986 P CB -0.025 31.636 31.700 -0.066 0.000 1.163 987 P HA -0.036 nan 4.420 nan 0.000 0.226 987 P C 0.279 177.577 177.300 -0.003 0.000 1.153 987 P CA 1.402 64.491 63.100 -0.019 0.000 0.777 987 P CB -0.322 31.365 31.700 -0.022 0.000 0.794 988 A N -1.341 121.479 122.820 0.001 0.000 3.061 988 A HA -0.141 4.179 4.320 -0.000 0.000 0.244 988 A C 0.798 178.413 177.584 0.052 0.000 1.357 988 A CA 0.549 52.610 52.037 0.040 0.000 0.889 988 A CB -2.687 16.335 19.000 0.038 0.000 1.092 988 A HN 0.320 nan 8.150 nan 0.000 0.694 989 S N 0.135 115.853 115.700 0.029 0.000 2.612 989 S HA 0.299 4.769 4.470 -0.000 0.000 0.253 989 S C 0.392 175.019 174.600 0.045 0.000 1.346 989 S CA 0.319 58.539 58.200 0.033 0.000 0.976 989 S CB 0.226 63.450 63.200 0.039 0.000 0.949 989 S HN 0.674 nan 8.310 nan 0.000 0.584 990 D N 1.097 121.503 120.400 0.009 0.000 2.357 990 D HA 0.034 4.674 4.640 -0.000 0.000 0.265 990 D C 0.795 177.073 176.300 -0.036 0.000 1.334 990 D CA -0.396 53.554 54.000 -0.083 0.000 0.984 990 D CB -0.359 40.395 40.800 -0.076 0.000 1.077 990 D HN 0.441 nan 8.370 nan 0.000 0.514 991 F N 3.039 123.010 119.950 0.035 0.000 2.407 991 F HA 0.027 4.554 4.527 -0.000 0.000 0.299 991 F C 1.754 177.615 175.800 0.101 0.000 1.097 991 F CA -0.170 57.860 58.000 0.050 0.000 1.422 991 F CB -0.732 38.266 39.000 -0.004 0.000 1.067 991 F HN 0.320 nan 8.300 nan 0.000 0.539 992 L N 1.436 122.426 121.223 -0.389 0.000 1.951 992 L HA -0.238 4.102 4.340 -0.000 0.000 0.222 992 L C 2.686 179.576 176.870 0.033 0.000 1.078 992 L CA 2.239 56.992 54.840 -0.146 0.000 0.778 992 L CB -0.880 41.024 42.059 -0.258 0.000 0.893 992 L HN 0.260 nan 8.230 nan 0.000 0.436 993 A N -1.745 121.079 122.820 0.008 0.000 2.014 993 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 993 A C 2.187 179.819 177.584 0.080 0.000 1.163 993 A CA 1.261 53.320 52.037 0.036 0.000 0.652 993 A CB -0.999 18.007 19.000 0.009 0.000 0.808 993 A HN 0.769 nan 8.150 nan 0.000 0.449 994 H N 1.107 120.202 119.070 0.041 0.000 2.251 994 H HA -0.185 4.371 4.556 -0.000 0.000 0.294 994 H C 1.945 177.313 175.328 0.068 0.000 1.078 994 H CA 2.401 58.485 56.048 0.060 0.000 1.246 994 H CB -0.278 29.540 29.762 0.093 0.000 1.358 994 H HN 0.581 nan 8.280 nan 0.000 0.488 995 I N -0.404 120.335 120.570 0.281 0.000 3.291 995 I HA -0.047 4.123 4.170 -0.000 0.000 0.279 995 I C 2.432 178.613 176.117 0.107 0.000 1.294 995 I CA 0.877 62.296 61.300 0.197 0.000 1.428 995 I CB -0.319 37.826 38.000 0.242 0.000 1.070 995 I HN 0.211 nan 8.210 nan 0.000 0.478 996 Q N 1.911 121.764 119.800 0.088 0.000 2.119 996 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 996 Q C 2.031 178.041 176.000 0.017 0.000 0.972 996 Q CA 1.397 57.232 55.803 0.053 0.000 0.847 996 Q CB 0.100 28.864 28.738 0.045 0.000 0.903 996 Q HN 0.575 nan 8.270 nan 0.000 0.433 997 K N 0.194 120.585 120.400 -0.015 0.000 1.978 997 K HA -0.127 4.193 4.320 -0.000 0.000 0.214 997 K C 0.644 177.227 176.600 -0.028 0.000 1.049 997 K CA 1.114 57.375 56.287 -0.042 0.000 0.939 997 K CB -0.040 32.397 32.500 -0.104 0.000 0.721 997 K HN 0.067 nan 8.250 nan 0.000 0.441 998 N N -0.776 117.908 118.700 -0.026 0.000 2.410 998 N HA 0.174 4.914 4.740 -0.000 0.000 0.287 998 N C -2.518 173.014 175.510 0.037 0.000 1.044 998 N CA -2.108 50.941 53.050 -0.003 0.000 0.881 998 N CB 1.848 40.323 38.487 -0.020 0.000 1.405 998 N HN -0.262 nan 8.380 nan 0.000 0.490 999 P HA -0.124 nan 4.420 nan 0.000 0.224 999 P C 0.366 177.718 177.300 0.085 0.000 1.142 999 P CA 0.713 63.854 63.100 0.068 0.000 0.778 999 P CB -0.017 31.710 31.700 0.045 0.000 0.764 1000 V N -2.151 117.805 119.914 0.069 0.000 3.061 1000 V HA -0.048 4.072 4.120 -0.000 0.000 0.306 1000 V C 0.369 176.517 176.094 0.089 0.000 1.118 1000 V CA 0.064 62.406 62.300 0.069 0.000 1.231 1000 V CB -0.081 31.774 31.823 0.053 0.000 0.956 1000 V HN -0.059 nan 8.190 nan 0.000 0.499 1001 L N 3.771 125.028 121.223 0.058 0.000 2.556 1001 L HA 0.453 4.793 4.340 -0.000 0.000 0.243 1001 L C -0.151 176.713 176.870 -0.010 0.000 1.331 1001 L CA -0.543 54.306 54.840 0.015 0.000 0.927 1001 L CB 0.336 42.363 42.059 -0.053 0.000 1.219 1001 L HN 1.067 nan 8.230 nan 0.000 0.490 1002 D N -0.274 120.137 120.400 0.018 0.000 2.393 1002 D HA -0.023 4.617 4.640 -0.000 0.000 0.246 1002 D C 1.105 177.388 176.300 -0.028 0.000 1.275 1002 D CA -0.454 53.547 54.000 0.002 0.000 0.979 1002 D CB 0.617 41.424 40.800 0.011 0.000 1.101 1002 D HN 0.269 nan 8.370 nan 0.000 0.505 1003 c N -0.449 118.133 118.600 -0.030 0.000 2.491 1003 c HA -0.028 4.542 4.570 -0.000 0.000 0.277 1003 c C 2.458 176.505 174.090 -0.071 0.000 1.455 1003 c CA 0.822 57.134 56.329 -0.029 0.000 1.758 1003 c CB -1.798 40.715 42.510 0.006 0.000 1.745 1003 c HN 0.736 nan 8.230 nan 0.000 0.558 1004 S N 0.143 115.789 115.700 -0.091 0.000 2.515 1004 S HA 0.038 4.508 4.470 -0.000 0.000 0.231 1004 S C 1.415 175.914 174.600 -0.168 0.000 0.987 1004 S CA 0.983 59.112 58.200 -0.119 0.000 0.936 1004 S CB -0.291 62.849 63.200 -0.101 0.000 0.766 1004 S HN 0.509 nan 8.310 nan 0.000 0.528 1005 I N 1.049 121.520 120.570 -0.166 0.000 3.136 1005 I HA 0.406 4.576 4.170 -0.000 0.000 0.262 1005 I C 1.291 177.304 176.117 -0.174 0.000 1.132 1005 I CA 0.373 61.562 61.300 -0.185 0.000 1.450 1005 I CB -1.135 36.764 38.000 -0.168 0.000 1.315 1005 I HN 0.350 nan 8.210 nan 0.000 0.460 1006 A N 0.841 123.559 122.820 -0.170 0.000 2.301 1006 A HA 0.619 4.939 4.320 -0.000 0.000 0.312 1006 A C 0.599 178.122 177.584 -0.101 0.000 1.182 1006 A CA -0.153 51.776 52.037 -0.180 0.000 0.826 1006 A CB 0.290 19.141 19.000 -0.248 0.000 1.134 1006 A HN 0.365 nan 8.150 nan 0.000 0.501 1007 G N 0.992 109.742 108.800 -0.083 0.000 2.138 1007 G HA2 0.244 4.204 3.960 -0.000 0.000 0.263 1007 G HA3 0.244 4.204 3.960 -0.000 0.000 0.263 1007 G C 0.382 175.281 174.900 -0.002 0.000 1.103 1007 G CA 0.317 45.396 45.100 -0.036 0.000 1.014 1007 G HN 0.898 nan 8.290 nan 0.000 0.418 1008 c N 2.646 121.272 118.600 0.044 0.000 2.517 1008 c HA 0.770 5.340 4.570 -0.000 0.000 0.357 1008 c C 0.379 174.535 174.090 0.111 0.000 1.485 1008 c CA -0.740 55.660 56.329 0.117 0.000 2.148 1008 c CB 0.626 43.258 42.510 0.204 0.000 2.019 1008 c HN 0.678 nan 8.230 nan 0.000 0.576 1009 L N 2.862 124.177 121.223 0.152 0.000 2.504 1009 L HA 0.444 4.784 4.340 -0.000 0.000 0.265 1009 L C -0.336 176.502 176.870 -0.052 0.000 0.975 1009 L CA -0.284 54.557 54.840 0.002 0.000 0.864 1009 L CB 0.555 42.601 42.059 -0.021 0.000 1.212 1009 L HN 0.742 nan 8.230 nan 0.000 0.416 1010 R N 3.996 124.350 120.500 -0.244 0.000 2.265 1010 R HA 0.382 4.722 4.340 -0.000 0.000 0.314 1010 R C -1.695 174.290 176.300 -0.525 0.000 1.053 1010 R CA -0.249 55.550 56.100 -0.501 0.000 0.931 1010 R CB 0.632 30.535 30.300 -0.662 0.000 1.024 1010 R HN 0.373 nan 8.270 nan 0.000 0.457 1011 F N 3.903 123.673 119.950 -0.300 0.000 2.388 1011 F HA 0.359 4.886 4.527 -0.000 0.000 0.358 1011 F C 0.729 176.418 175.800 -0.186 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 0.351 nan 8.300 nan 0.000 0.461 1012 R N 3.586 124.043 120.500 -0.071 0.000 2.522 1012 R HA 0.441 4.781 4.340 -0.000 0.000 0.290 1012 R C -1.399 174.857 176.300 -0.073 0.000 1.216 1012 R CA -0.243 55.791 56.100 -0.110 0.000 1.250 1012 R CB -0.011 30.210 30.300 -0.132 0.000 1.143 1012 R HN 0.718 nan 8.270 nan 0.000 0.553 1013 c N 4.351 122.904 118.600 -0.077 0.000 2.227 1013 c HA 0.249 4.819 4.570 -0.000 0.000 0.333 1013 c C 0.151 174.164 174.090 -0.128 0.000 1.145 1013 c CA -0.999 55.254 56.329 -0.126 0.000 1.643 1013 c CB -0.606 41.768 42.510 -0.226 0.000 2.185 1013 c HN 0.696 nan 8.230 nan 0.000 0.497 1014 D N 1.275 121.618 120.400 -0.095 0.000 2.361 1014 D HA 0.379 5.019 4.640 -0.000 0.000 0.239 1014 D C -0.205 176.059 176.300 -0.060 0.000 1.200 1014 D CA 0.277 54.239 54.000 -0.064 0.000 0.915 1014 D CB 1.100 41.876 40.800 -0.040 0.000 1.170 1014 D HN 0.263 nan 8.370 nan 0.000 0.444 1015 V N 2.294 122.194 119.914 -0.023 0.000 2.668 1015 V HA 0.139 4.259 4.120 -0.000 0.000 0.304 1015 V C -1.489 174.631 176.094 0.043 0.000 1.071 1015 V CA -1.126 61.181 62.300 0.011 0.000 0.894 1015 V CB 2.205 34.035 31.823 0.013 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 0.468 177.810 177.300 0.069 0.000 1.189 1016 P CA 1.050 64.183 63.100 0.056 0.000 0.920 1016 P CB 0.414 32.147 31.700 0.055 0.000 0.782 1017 S N -1.580 114.174 115.700 0.089 0.000 2.673 1017 S HA 0.336 4.806 4.470 -0.000 0.000 0.256 1017 S C -1.099 173.584 174.600 0.138 0.000 1.141 1017 S CA -0.694 57.558 58.200 0.086 0.000 1.109 1017 S CB -0.514 62.714 63.200 0.047 0.000 1.101 1017 S HN -0.040 nan 8.310 nan 0.000 0.471 1018 F N 5.622 125.555 119.950 -0.028 0.000 2.662 1018 F HA 0.397 4.924 4.527 -0.000 0.000 0.365 1018 F C 0.920 176.700 175.800 -0.034 0.000 1.222 1018 F CA -0.323 57.662 58.000 -0.025 0.000 1.315 1018 F CB -0.671 38.299 39.000 -0.051 0.000 1.711 1018 F HN 0.585 nan 8.300 nan 0.000 0.651 1019 S N 2.002 117.597 115.700 -0.174 0.000 2.593 1019 S HA 0.035 4.505 4.470 -0.000 0.000 0.303 1019 S C 0.359 174.728 174.600 -0.384 0.000 1.267 1019 S CA -0.517 57.560 58.200 -0.205 0.000 1.047 1019 S CB 0.236 63.371 63.200 -0.110 0.000 0.777 1019 S HN 0.272 nan 8.310 nan 0.000 0.498 1020 V N 6.253 126.028 119.914 -0.233 0.000 2.872 1020 V HA 0.100 4.220 4.120 -0.000 0.000 0.307 1020 V C 1.218 177.209 176.094 -0.173 0.000 1.072 1020 V CA 0.705 62.876 62.300 -0.214 0.000 1.148 1020 V CB 0.455 32.230 31.823 -0.079 0.000 0.954 1020 V HN 1.144 nan 8.190 nan 0.000 0.490 1021 Q N -0.233 119.465 119.800 -0.170 0.000 2.559 1021 Q HA -0.247 4.093 4.340 -0.000 0.000 0.151 1021 Q C 0.654 176.565 176.000 -0.149 0.000 0.725 1021 Q CA 1.765 57.507 55.803 -0.103 0.000 1.230 1021 Q CB -0.974 27.746 28.738 -0.030 0.000 1.099 1021 Q HN 0.905 nan 8.270 nan 0.000 1.047 1022 E N 2.023 122.063 120.200 -0.266 0.000 2.406 1022 E HA -0.033 4.317 4.350 -0.000 0.000 0.258 1022 E C 0.116 176.635 176.600 -0.135 0.000 1.043 1022 E CA 0.241 56.508 56.400 -0.223 0.000 0.929 1022 E CB 0.415 29.931 29.700 -0.307 0.000 0.969 1022 E HN 0.226 nan 8.360 nan 0.000 0.462 1023 E N 5.569 125.757 120.200 -0.020 0.000 2.311 1023 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 1023 E C 0.054 176.723 176.600 0.115 0.000 1.115 1023 E CA -0.321 56.108 56.400 0.048 0.000 1.140 1023 E CB 0.014 29.688 29.700 -0.045 0.000 1.204 1023 E HN 0.627 nan 8.360 nan 0.000 0.446 1024 L N 2.971 124.349 121.223 0.258 0.000 2.806 1024 L HA -0.128 4.212 4.340 -0.000 0.000 0.282 1024 L C -0.456 176.495 176.870 0.135 0.000 1.166 1024 L CA 0.416 55.437 54.840 0.301 0.000 0.969 1024 L CB 0.046 42.407 42.059 0.502 0.000 1.304 1024 L HN 0.229 nan 8.230 nan 0.000 0.474 1025 D N 4.527 124.975 120.400 0.080 0.000 2.490 1025 D HA 0.700 5.340 4.640 -0.000 0.000 0.232 1025 D C -0.675 175.660 176.300 0.058 0.000 1.053 1025 D CA -0.470 53.444 54.000 -0.144 0.000 0.914 1025 D CB 1.677 42.409 40.800 -0.114 0.000 1.431 1025 D HN 0.287 nan 8.370 nan 0.000 0.483 1026 F N -2.493 117.586 119.950 0.215 0.000 2.773 1026 F HA 0.688 5.215 4.527 -0.000 0.000 0.314 1026 F C -0.807 175.093 175.800 0.167 0.000 1.160 1026 F CA -1.024 57.107 58.000 0.218 0.000 0.920 1026 F CB 1.523 40.697 39.000 0.290 0.000 1.323 1026 F HN 0.457 nan 8.300 nan 0.000 0.457 1027 T N 0.960 115.741 114.554 0.378 0.000 2.901 1027 T HA 0.840 5.190 4.350 -0.000 0.000 0.293 1027 T C -1.882 172.869 174.700 0.086 0.000 1.084 1027 T CA -0.684 61.541 62.100 0.209 0.000 1.008 1027 T CB 1.557 70.506 68.868 0.136 0.000 1.170 1027 T HN 1.151 nan 8.240 nan 0.000 0.509 1028 L N 1.227 122.455 121.223 0.008 0.000 2.408 1028 L HA 0.931 5.271 4.340 -0.000 0.000 0.268 1028 L C -0.844 176.028 176.870 0.003 0.000 0.986 1028 L CA -0.874 53.893 54.840 -0.122 0.000 0.820 1028 L CB 1.722 43.557 42.059 -0.373 0.000 1.303 1028 L HN 0.822 nan 8.230 nan 0.000 0.411 1029 K N 0.765 121.127 120.400 -0.063 0.000 2.512 1029 K HA 1.013 5.333 4.320 -0.000 0.000 0.263 1029 K C -0.828 175.695 176.600 -0.127 0.000 0.966 1029 K CA -0.810 55.495 56.287 0.031 0.000 0.851 1029 K CB 2.410 34.934 32.500 0.040 0.000 1.395 1029 K HN 1.051 nan 8.250 nan 0.000 0.440 1030 G N 0.991 109.784 108.800 -0.013 0.000 2.716 1030 G HA2 0.200 4.160 3.960 -0.000 0.000 0.299 1030 G HA3 0.200 4.160 3.960 -0.000 0.000 0.299 1030 G C -1.696 173.326 174.900 0.203 0.000 1.450 1030 G CA -1.033 44.004 45.100 -0.105 0.000 0.968 1030 G HN 0.485 nan 8.290 nan 0.000 0.566 1031 N N 0.344 119.120 118.700 0.127 0.000 2.365 1031 N HA 0.031 4.771 4.740 -0.000 0.000 0.265 1031 N C -0.074 175.616 175.510 0.301 0.000 1.288 1031 N CA 0.139 53.297 53.050 0.180 0.000 0.869 1031 N CB 1.190 39.749 38.487 0.121 0.000 1.071 1031 N HN 0.516 nan 8.380 nan 0.000 0.480 1032 L N 1.862 123.262 121.223 0.295 0.000 2.255 1032 L HA 0.231 4.571 4.340 -0.000 0.000 0.289 1032 L C 0.442 177.357 176.870 0.075 0.000 1.046 1032 L CA -0.326 54.678 54.840 0.274 0.000 0.816 1032 L CB 0.658 42.773 42.059 0.094 0.000 1.197 1032 L HN 0.409 nan 8.230 nan 0.000 0.427 1033 S N 3.224 119.055 115.700 0.218 0.000 2.576 1033 S HA 0.215 4.685 4.470 -0.000 0.000 0.276 1033 S C 0.640 175.277 174.600 0.062 0.000 1.339 1033 S CA -0.087 58.251 58.200 0.230 0.000 1.039 1033 S CB 0.431 63.817 63.200 0.309 0.000 0.902 1033 S HN 0.556 nan 8.310 nan 0.000 0.516 1034 F N 2.306 122.313 119.950 0.095 0.000 2.695 1034 F HA 0.284 4.811 4.527 -0.000 0.000 0.303 1034 F C 2.224 177.927 175.800 -0.162 0.000 1.091 1034 F CA 0.056 58.013 58.000 -0.073 0.000 1.300 1034 F CB -0.255 38.721 39.000 -0.039 0.000 1.071 1034 F HN 0.758 nan 8.300 nan 0.000 0.578 1035 G N 1.392 110.274 108.800 0.136 0.000 2.421 1035 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 1035 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 1035 G C 1.480 176.412 174.900 0.054 0.000 1.171 1035 G CA 0.750 45.913 45.100 0.105 0.000 0.775 1035 G HN 0.620 nan 8.290 nan 0.000 0.543 1036 W N 1.240 122.582 121.300 0.069 0.000 2.538 1036 W HA 0.048 4.708 4.660 -0.000 0.000 0.254 1036 W C 1.284 177.826 176.519 0.039 0.000 1.249 1036 W CA 0.690 58.058 57.345 0.039 0.000 1.253 1036 W CB -0.935 28.536 29.460 0.018 0.000 1.130 1036 W HN 0.089 nan 8.180 nan 0.000 0.618 1037 V N 2.028 121.443 119.914 -0.832 0.000 2.490 1037 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 1037 V C 2.860 178.783 176.094 -0.285 0.000 1.061 1037 V CA 2.492 64.267 62.300 -0.874 0.000 1.064 1037 V CB -1.042 30.384 31.823 -0.662 0.000 0.670 1037 V HN 0.239 nan 8.190 nan 0.000 0.461 1038 R N -0.020 120.406 120.500 -0.124 0.000 2.161 1038 R HA -0.136 4.204 4.340 -0.000 0.000 0.213 1038 R C 2.303 178.637 176.300 0.057 0.000 1.055 1038 R CA 0.976 57.065 56.100 -0.018 0.000 0.996 1038 R CB -0.117 30.182 30.300 -0.002 0.000 0.901 1038 R HN 0.492 nan 8.270 nan 0.000 0.456 1039 Q N 1.251 121.114 119.800 0.104 0.000 2.248 1039 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 1039 Q C 1.530 177.657 176.000 0.212 0.000 0.984 1039 Q CA 2.020 57.923 55.803 0.167 0.000 0.875 1039 Q CB -0.117 28.745 28.738 0.206 0.000 0.910 1039 Q HN 0.621 nan 8.270 nan 0.000 0.433 1040 I N -4.556 116.138 120.570 0.207 0.000 4.057 1040 I HA 0.258 4.428 4.170 -0.000 0.000 0.334 1040 I C 0.113 176.332 176.117 0.170 0.000 1.308 1040 I CA -0.356 61.094 61.300 0.250 0.000 1.125 1040 I CB 0.518 38.691 38.000 0.288 0.000 1.034 1040 I HN 0.040 nan 8.210 nan 0.000 0.401 1041 L N 1.132 122.423 121.223 0.113 0.000 3.533 1041 L HA -0.221 4.119 4.340 -0.000 0.000 0.477 1041 L C -0.518 176.399 176.870 0.079 0.000 1.306 1041 L CA 1.170 56.060 54.840 0.083 0.000 0.850 1041 L CB -1.510 40.599 42.059 0.083 0.000 1.654 1041 L HN 0.749 nan 8.230 nan 0.000 0.863 1042 Q N -0.153 119.689 119.800 0.069 0.000 2.737 1042 Q HA 0.640 4.980 4.340 -0.000 0.000 0.307 1042 Q C -1.038 174.991 176.000 0.048 0.000 0.905 1042 Q CA -1.201 54.641 55.803 0.066 0.000 0.753 1042 Q CB 1.964 30.745 28.738 0.073 0.000 1.463 1042 Q HN 0.093 nan 8.270 nan 0.000 0.455 1043 K N 0.759 121.187 120.400 0.048 0.000 2.444 1043 K HA 0.375 4.695 4.320 -0.000 0.000 0.252 1043 K C -0.746 175.850 176.600 -0.008 0.000 0.993 1043 K CA -0.779 55.526 56.287 0.030 0.000 0.847 1043 K CB 1.540 34.099 32.500 0.097 0.000 1.340 1043 K HN 0.683 nan 8.250 nan 0.000 0.446 1044 K N 0.118 120.491 120.400 -0.046 0.000 3.230 1044 K HA -0.159 4.161 4.320 -0.000 0.000 0.285 1044 K C -0.198 176.380 176.600 -0.036 0.000 1.196 1044 K CA 0.235 56.481 56.287 -0.069 0.000 0.838 1044 K CB -0.872 31.590 32.500 -0.064 0.000 1.262 1044 K HN 0.415 nan 8.250 nan 0.000 0.492 1045 V N 1.324 121.228 119.914 -0.017 0.000 3.237 1045 V HA 0.367 4.487 4.120 -0.000 0.000 0.305 1045 V C 0.066 176.188 176.094 0.046 0.000 1.096 1045 V CA 0.884 63.215 62.300 0.052 0.000 1.130 1045 V CB 1.503 33.400 31.823 0.122 0.000 1.048 1045 V HN 0.488 nan 8.190 nan 0.000 0.484 1046 S N 4.197 119.952 115.700 0.092 0.000 2.668 1046 S HA 0.525 4.995 4.470 -0.000 0.000 0.277 1046 S C -0.986 173.665 174.600 0.086 0.000 1.170 1046 S CA -0.609 57.632 58.200 0.069 0.000 0.994 1046 S CB 1.160 64.386 63.200 0.043 0.000 1.051 1046 S HN 1.036 nan 8.310 nan 0.000 0.484 1047 V N 3.787 123.742 119.914 0.070 0.000 2.509 1047 V HA 0.742 4.862 4.120 -0.000 0.000 0.284 1047 V C -0.632 175.467 176.094 0.007 0.000 1.047 1047 V CA -0.237 62.062 62.300 -0.002 0.000 0.952 1047 V CB 1.430 33.187 31.823 -0.110 0.000 0.988 1047 V HN 0.901 nan 8.190 nan 0.000 0.469 1048 V N 5.831 125.744 119.914 -0.002 0.000 2.715 1048 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 1048 V C -0.106 175.995 176.094 0.012 0.000 1.054 1048 V CA -0.278 62.033 62.300 0.019 0.000 0.928 1048 V CB 2.407 34.249 31.823 0.032 0.000 1.007 1048 V HN 1.037 nan 8.190 nan 0.000 0.437 1049 S N 3.045 118.743 115.700 -0.003 0.000 2.473 1049 S HA 0.798 5.268 4.470 -0.000 0.000 0.307 1049 S C -0.971 173.755 174.600 0.210 0.000 1.094 1049 S CA -0.650 57.599 58.200 0.081 0.000 1.070 1049 S CB 1.676 64.831 63.200 -0.074 0.000 1.019 1049 S HN 0.426 nan 8.310 nan 0.000 0.480 1050 V N 2.230 122.309 119.914 0.275 0.000 2.472 1050 V HA 0.828 4.948 4.120 -0.000 0.000 0.290 1050 V C 0.238 176.532 176.094 0.333 0.000 1.037 1050 V CA -0.513 61.945 62.300 0.263 0.000 0.908 1050 V CB 1.246 33.174 31.823 0.176 0.000 0.985 1050 V HN 1.200 nan 8.190 nan 0.000 0.454 1051 A N 4.599 127.446 122.820 0.045 0.000 2.332 1051 A HA 0.790 5.110 4.320 -0.000 0.000 0.300 1051 A C -0.417 177.036 177.584 -0.218 0.000 1.153 1051 A CA -0.623 51.278 52.037 -0.228 0.000 0.764 1051 A CB 0.856 19.339 19.000 -0.862 0.000 1.174 1051 A HN 0.947 nan 8.150 nan 0.000 0.467 1052 E N 2.981 123.077 120.200 -0.173 0.000 2.224 1052 E HA 0.629 4.979 4.350 -0.000 0.000 0.265 1052 E C -1.177 175.314 176.600 -0.181 0.000 0.878 1052 E CA -0.630 55.710 56.400 -0.100 0.000 0.759 1052 E CB 1.948 31.682 29.700 0.058 0.000 1.164 1052 E HN 0.588 nan 8.360 nan 0.000 0.414 1053 I N 2.987 123.471 120.570 -0.143 0.000 2.499 1053 I HA 0.368 4.538 4.170 -0.000 0.000 0.296 1053 I C -0.462 175.633 176.117 -0.037 0.000 0.992 1053 I CA -0.017 61.216 61.300 -0.112 0.000 1.297 1053 I CB 1.304 39.256 38.000 -0.080 0.000 1.410 1053 I HN 0.885 nan 8.210 nan 0.000 0.507 1054 T N 3.484 118.025 114.554 -0.021 0.000 2.865 1054 T HA 0.756 5.106 4.350 -0.000 0.000 0.294 1054 T C -0.804 173.950 174.700 0.091 0.000 1.119 1054 T CA -0.657 61.363 62.100 -0.132 0.000 1.007 1054 T CB 1.801 70.582 68.868 -0.145 0.000 1.225 1054 T HN 0.550 nan 8.240 nan 0.000 0.515 1055 F N -1.499 118.447 119.950 -0.008 0.000 2.741 1055 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 1055 F C -0.850 174.995 175.800 0.074 0.000 1.149 1055 F CA -1.464 56.552 58.000 0.027 0.000 0.930 1055 F CB 0.359 39.373 39.000 0.024 0.000 1.312 1055 F HN 0.562 nan 8.300 nan 0.000 0.450 1056 D N 1.644 122.219 120.400 0.291 0.000 2.455 1056 D HA 0.011 4.651 4.640 -0.000 0.000 0.265 1056 D C 1.468 177.880 176.300 0.187 0.000 1.284 1056 D CA 1.040 55.155 54.000 0.191 0.000 0.944 1056 D CB 1.052 41.980 40.800 0.212 0.000 1.121 1056 D HN 0.784 nan 8.370 nan 0.000 0.525 1057 T N 1.900 116.482 114.554 0.046 0.000 2.760 1057 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 1057 T C 0.938 175.688 174.700 0.084 0.000 1.047 1057 T CA 1.555 63.670 62.100 0.026 0.000 1.139 1057 T CB -0.056 68.796 68.868 -0.026 0.000 0.855 1057 T HN 0.314 nan 8.240 nan 0.000 0.471 1058 S N -1.191 114.553 115.700 0.073 0.000 2.610 1058 S HA 0.477 4.947 4.470 -0.000 0.000 0.273 1058 S C 1.081 175.703 174.600 0.035 0.000 1.274 1058 S CA -0.213 58.016 58.200 0.047 0.000 1.023 1058 S CB 1.049 64.264 63.200 0.024 0.000 0.962 1058 S HN 0.613 nan 8.310 nan 0.000 0.523 1059 V N 2.359 122.262 119.914 -0.019 0.000 0.434 1059 V HA -0.271 3.849 4.120 -0.000 0.000 0.092 1059 V C -0.174 175.824 176.094 -0.161 0.000 2.581 1059 V CA 2.041 64.253 62.300 -0.147 0.000 3.733 1059 V CB -2.368 29.244 31.823 -0.353 0.000 1.002 1059 V HN 0.878 nan 8.190 nan 0.000 1.053 1060 Y N 0.588 121.025 120.300 0.228 0.000 2.621 1060 Y HA 0.824 5.374 4.550 0.000 0.000 0.334 1060 Y C 0.332 176.404 175.900 0.287 0.000 1.074 1060 Y CA -0.347 57.908 58.100 0.257 0.000 1.149 1060 Y CB 2.047 40.655 38.460 0.246 0.000 1.302 1060 Y HN 0.627 nan 8.280 nan 0.000 0.501 1061 S N -0.362 115.642 115.700 0.508 0.000 2.712 1061 S HA 0.249 4.719 4.470 -0.000 0.000 0.279 1061 S C -1.734 173.067 174.600 0.335 0.000 1.025 1061 S CA -1.285 57.173 58.200 0.431 0.000 0.861 1061 S CB 1.245 64.581 63.200 0.227 0.000 1.091 1061 S HN 0.656 nan 8.310 nan 0.000 0.457 1062 Q N 0.016 119.996 119.800 0.301 0.000 2.260 1062 Q HA 0.565 4.905 4.340 -0.000 0.000 0.242 1062 Q C 0.983 177.052 176.000 0.114 0.000 0.932 1062 Q CA -0.619 55.294 55.803 0.182 0.000 0.891 1062 Q CB 1.056 29.888 28.738 0.157 0.000 1.222 1062 Q HN 0.725 nan 8.270 nan 0.000 0.453 1063 L N 2.129 123.414 121.223 0.104 0.000 2.130 1063 L HA 0.280 4.620 4.340 -0.000 0.000 0.200 1063 L C -0.992 175.910 176.870 0.054 0.000 1.075 1063 L CA 0.429 55.324 54.840 0.091 0.000 0.768 1063 L CB -1.669 40.461 42.059 0.119 0.000 0.933 1063 L HN 0.547 nan 8.230 nan 0.000 0.451 1064 P HA 0.189 nan 4.420 nan 0.000 0.247 1064 P C 0.861 178.160 177.300 -0.002 0.000 1.225 1064 P CA 1.282 64.393 63.100 0.018 0.000 0.768 1064 P CB 0.265 31.968 31.700 0.006 0.000 1.020 1065 G N 0.096 108.897 108.800 0.002 0.000 2.780 1065 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.237 1065 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.237 1065 G C -0.918 173.977 174.900 -0.008 0.000 1.965 1065 G CA -0.476 44.621 45.100 -0.004 0.000 1.577 1065 G HN 0.401 nan 8.290 nan 0.000 0.543 1066 Q N 0.781 120.566 119.800 -0.025 0.000 2.444 1066 Q HA 0.468 4.808 4.340 -0.000 0.000 0.239 1066 Q C -1.819 174.143 176.000 -0.064 0.000 0.853 1066 Q CA -0.285 55.500 55.803 -0.030 0.000 0.856 1066 Q CB 2.309 31.037 28.738 -0.015 0.000 1.413 1066 Q HN 0.545 nan 8.270 nan 0.000 0.437 1067 E N 1.252 121.389 120.200 -0.103 0.000 2.113 1067 E HA 0.425 4.775 4.350 -0.000 0.000 0.273 1067 E C -0.090 176.486 176.600 -0.039 0.000 0.924 1067 E CA -0.427 55.856 56.400 -0.194 0.000 0.764 1067 E CB 1.435 30.854 29.700 -0.468 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 0.030 4.350 4.320 -0.000 0.000 0.220 1068 A C 0.642 178.384 177.584 0.264 0.000 1.262 1068 A CA -0.026 52.093 52.037 0.138 0.000 0.867 1068 A CB -0.383 18.683 19.000 0.111 0.000 0.888 1068 A HN 0.518 nan 8.150 nan 0.000 0.487 1069 F N 0.315 120.238 119.950 -0.045 0.000 2.583 1069 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 1069 F C 1.850 177.620 175.800 -0.050 0.000 1.131 1069 F CA 0.525 58.495 58.000 -0.050 0.000 1.467 1069 F CB -0.576 38.365 39.000 -0.100 0.000 1.097 1069 F HN 0.429 nan 8.300 nan 0.000 0.586 1070 M N -0.539 119.143 119.600 0.137 0.000 2.853 1070 M HA 0.332 4.812 4.480 -0.000 0.000 0.274 1070 M C 0.146 176.456 176.300 0.017 0.000 1.289 1070 M CA 0.288 55.625 55.300 0.062 0.000 1.031 1070 M CB 0.224 32.878 32.600 0.090 0.000 1.352 1070 M HN -0.019 nan 8.290 nan 0.000 0.485 1071 R N 1.196 121.708 120.500 0.020 0.000 3.107 1071 R HA 0.588 4.928 4.340 -0.000 0.000 0.224 1071 R C -1.300 175.005 176.300 0.009 0.000 1.734 1071 R CA -0.015 56.085 56.100 -0.000 0.000 1.303 1071 R CB 0.685 30.993 30.300 0.014 0.000 1.570 1071 R HN 0.448 nan 8.270 nan 0.000 0.606 1072 A N 1.654 124.472 122.820 -0.003 0.000 2.250 1072 A HA 0.566 4.886 4.320 -0.000 0.000 0.283 1072 A C -0.535 177.135 177.584 0.142 0.000 1.206 1072 A CA -0.241 51.846 52.037 0.083 0.000 0.840 1072 A CB 0.957 20.080 19.000 0.204 0.000 1.220 1072 A HN 0.647 nan 8.150 nan 0.000 0.505 1073 Q N -1.715 118.234 119.800 0.248 0.000 2.426 1073 Q HA 0.520 4.860 4.340 -0.000 0.000 0.278 1073 Q C -1.936 174.152 176.000 0.147 0.000 1.007 1073 Q CA -0.449 55.482 55.803 0.213 0.000 0.850 1073 Q CB 2.132 30.919 28.738 0.081 0.000 1.427 1073 Q HN 0.687 nan 8.270 nan 0.000 0.391 1074 T N 1.831 116.454 114.554 0.115 0.000 3.011 1074 T HA 0.317 4.667 4.350 -0.000 0.000 0.303 1074 T C -1.178 173.500 174.700 -0.036 0.000 0.997 1074 T CA -0.457 61.580 62.100 -0.105 0.000 1.007 1074 T CB 1.564 70.475 68.868 0.072 0.000 1.017 1074 T HN 0.454 nan 8.240 nan 0.000 0.443 1075 T N 3.101 117.540 114.554 -0.192 0.000 2.821 1075 T HA 0.478 4.828 4.350 -0.000 0.000 0.307 1075 T C 0.023 174.885 174.700 0.269 0.000 1.034 1075 T CA -0.231 61.891 62.100 0.036 0.000 0.953 1075 T CB 0.207 69.081 68.868 0.011 0.000 0.968 1075 T HN 0.515 nan 8.240 nan 0.000 0.462 1076 T N 4.013 118.784 114.554 0.362 0.000 2.918 1076 T HA 0.596 4.946 4.350 -0.000 0.000 0.283 1076 T C -0.300 174.448 174.700 0.080 0.000 1.001 1076 T CA -0.502 61.789 62.100 0.319 0.000 1.041 1076 T CB 1.227 70.220 68.868 0.209 0.000 1.028 1076 T HN 0.494 nan 8.240 nan 0.000 0.511 1077 V N 2.865 122.731 119.914 -0.080 0.000 2.680 1077 V HA 0.432 4.552 4.120 -0.000 0.000 0.309 1077 V C -0.462 175.369 176.094 -0.437 0.000 1.052 1077 V CA -0.735 61.455 62.300 -0.184 0.000 0.908 1077 V CB 1.771 33.494 31.823 -0.167 0.000 1.001 1077 V HN 0.629 nan 8.190 nan 0.000 0.431 1078 L N 2.927 123.960 121.223 -0.316 0.000 3.141 1078 L HA 0.350 4.690 4.340 -0.000 0.000 0.263 1078 L C 0.691 177.401 176.870 -0.266 0.000 1.312 1078 L CA 0.390 55.005 54.840 -0.374 0.000 1.012 1078 L CB 0.442 42.365 42.059 -0.227 0.000 1.408 1078 L HN 0.753 nan 8.230 nan 0.000 0.559 1079 E N 2.333 122.361 120.200 -0.286 0.000 2.159 1079 E HA 0.089 4.439 4.350 -0.000 0.000 0.272 1079 E C -0.614 175.853 176.600 -0.222 0.000 1.138 1079 E CA 0.158 56.423 56.400 -0.226 0.000 0.915 1079 E CB 0.287 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 4.902 125.248 120.400 -0.090 0.000 2.668 1080 K HA 0.148 4.468 4.320 -0.000 0.000 0.246 1080 K C -1.413 175.257 176.600 0.117 0.000 0.976 1080 K CA -0.699 55.581 56.287 -0.011 0.000 0.902 1080 K CB 1.164 33.689 32.500 0.042 0.000 1.172 1080 K HN 0.444 nan 8.250 nan 0.000 0.452 1081 Y N 2.321 122.646 120.300 0.042 0.000 2.612 1081 Y HA 0.336 4.886 4.550 -0.000 0.000 0.334 1081 Y C 0.467 176.420 175.900 0.087 0.000 1.227 1081 Y CA -0.073 58.087 58.100 0.101 0.000 1.356 1081 Y CB 0.744 39.343 38.460 0.231 0.000 1.534 1081 Y HN 0.533 nan 8.280 nan 0.000 0.576 1082 K N 0.000 120.078 120.400 -0.537 0.000 2.780 1082 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1082 K CA 0.000 56.067 56.287 -0.367 0.000 0.838 1082 K CB 0.000 32.438 32.500 -0.103 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543