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_C 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 XXXXXSSFEL 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 58.072 58.000 0.121 0.000 1.383 1 F CB 0.000 39.055 39.000 0.092 0.000 1.145 2 N N 1.975 120.642 118.700 -0.056 0.000 2.642 2 N HA 0.337 5.076 4.740 -0.001 0.000 0.308 2 N C -1.257 174.256 175.510 0.005 0.000 1.914 2 N CA -0.106 52.947 53.050 0.006 0.000 0.893 2 N CB 0.849 39.301 38.487 -0.059 0.000 1.322 2 N HN 0.411 nan 8.380 nan 0.000 0.490 3 L N 0.796 122.039 121.223 0.035 0.000 2.276 3 L HA 0.270 4.609 4.340 -0.001 0.000 0.286 3 L C 0.105 177.000 176.870 0.042 0.000 1.024 3 L CA -0.887 53.974 54.840 0.035 0.000 0.826 3 L CB 1.212 43.298 42.059 0.045 0.000 1.211 3 L HN 0.096 nan 8.230 nan 0.000 0.422 4 D N 1.930 122.350 120.400 0.034 0.000 2.533 4 D HA -0.019 4.621 4.640 -0.001 0.000 0.236 4 D C 0.102 176.418 176.300 0.026 0.000 1.137 4 D CA 0.578 54.597 54.000 0.032 0.000 0.867 4 D CB 0.884 41.700 40.800 0.028 0.000 1.170 4 D HN 0.479 nan 8.370 nan 0.000 0.474 5 T N 4.261 118.827 114.554 0.020 0.000 3.448 5 T HA 0.228 4.578 4.350 -0.001 0.000 0.271 5 T C 0.147 174.845 174.700 -0.004 0.000 1.002 5 T CA -0.580 61.523 62.100 0.005 0.000 0.995 5 T CB 0.291 69.161 68.868 0.005 0.000 1.153 5 T HN 0.374 nan 8.240 nan 0.000 0.510 6 E N 0.810 121.009 120.200 -0.001 0.000 3.706 6 E HA 0.092 4.441 4.350 -0.001 0.000 0.266 6 E C -0.141 176.453 176.600 -0.010 0.000 1.251 6 E CA 0.040 56.436 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 2.385 122.586 120.200 0.003 0.000 2.069 7 E HA 0.299 4.648 4.350 -0.001 0.000 0.254 7 E C -0.045 176.564 176.600 0.015 0.000 1.088 7 E CA -0.119 56.282 56.400 0.003 0.000 1.017 7 E CB 0.000 29.711 29.700 0.017 0.000 1.226 7 E HN 0.112 nan 8.360 nan 0.000 0.458 8 L N -1.296 119.926 121.223 -0.001 0.000 2.256 8 L HA 0.707 5.047 4.340 -0.001 0.000 0.261 8 L C 0.299 177.153 176.870 -0.028 0.000 1.022 8 L CA -1.022 53.822 54.840 0.007 0.000 0.828 8 L CB 0.747 42.807 42.059 0.003 0.000 1.374 8 L HN -0.021 nan 8.230 nan 0.000 0.436 9 T N -1.903 112.627 114.554 -0.040 0.000 2.902 9 T HA 0.904 5.254 4.350 -0.001 0.000 0.283 9 T C -0.287 174.254 174.700 -0.264 0.000 1.009 9 T CA -0.145 61.846 62.100 -0.181 0.000 1.051 9 T CB 1.488 70.241 68.868 -0.191 0.000 0.999 9 T HN 1.152 nan 8.240 nan 0.000 0.474 10 A N 2.078 124.663 122.820 -0.392 0.000 2.375 10 A HA 0.678 4.997 4.320 -0.001 0.000 0.295 10 A C -1.251 176.116 177.584 -0.362 0.000 1.066 10 A CA -0.852 51.016 52.037 -0.282 0.000 0.722 10 A CB 0.685 19.606 19.000 -0.132 0.000 1.206 10 A HN 0.706 nan 8.150 nan 0.000 0.435 11 F N 2.309 122.297 119.950 0.063 0.000 2.308 11 F HA 0.409 4.936 4.527 -0.001 0.000 0.370 11 F C 1.240 177.058 175.800 0.030 0.000 1.100 11 F CA -0.526 57.504 58.000 0.049 0.000 1.108 11 F CB 1.419 40.496 39.000 0.128 0.000 1.293 11 F HN 0.648 nan 8.300 nan 0.000 0.478 12 R N 1.920 122.468 120.500 0.080 0.000 3.256 12 R HA 0.523 4.862 4.340 -0.001 0.000 0.263 12 R C -1.483 174.676 176.300 -0.234 0.000 1.388 12 R CA -0.356 55.719 56.100 -0.041 0.000 1.580 12 R CB 0.033 30.311 30.300 -0.037 0.000 1.255 12 R HN 0.297 nan 8.270 nan 0.000 0.640 13 V N 2.351 121.916 119.914 -0.581 0.000 2.372 13 V HA 0.020 4.139 4.120 -0.001 0.000 0.261 13 V C 0.131 175.716 176.094 -0.847 0.000 1.055 13 V CA -0.445 61.331 62.300 -0.873 0.000 0.930 13 V CB 0.886 31.877 31.823 -1.388 0.000 1.031 13 V HN 0.518 nan 8.190 nan 0.000 0.479 14 D N 3.902 124.063 120.400 -0.400 0.000 2.416 14 D HA 0.141 4.781 4.640 -0.001 0.000 0.240 14 D C 0.264 176.485 176.300 -0.132 0.000 1.250 14 D CA 0.309 54.186 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 2.215 117.887 115.700 -0.046 0.000 2.327 15 S HA 0.577 5.046 4.470 -0.001 0.000 0.203 15 S C 0.552 175.257 174.600 0.174 0.000 1.326 15 S CA -0.025 58.237 58.200 0.104 0.000 1.248 15 S CB 0.536 63.884 63.200 0.247 0.000 1.199 15 S HN 0.706 nan 8.310 nan 0.000 0.422 16 A N 1.592 124.482 122.820 0.118 0.000 5.022 16 A HA -0.207 4.113 4.320 -0.001 0.000 0.312 16 A C 1.499 179.174 177.584 0.152 0.000 1.965 16 A CA 0.862 52.969 52.037 0.116 0.000 0.712 16 A CB -1.797 17.264 19.000 0.102 0.000 1.305 16 A HN 1.236 nan 8.150 nan 0.000 0.364 17 G N -1.078 107.813 108.800 0.152 0.000 3.332 17 G HA2 0.427 4.387 3.960 -0.001 0.000 0.242 17 G HA3 0.427 4.387 3.960 -0.001 0.000 0.242 17 G C 0.204 175.207 174.900 0.171 0.000 1.276 17 G CA 0.730 45.917 45.100 0.145 0.000 0.988 17 G HN 1.080 nan 8.290 nan 0.000 0.517 18 F N 1.095 121.092 119.950 0.079 0.000 2.539 18 F HA 0.398 4.924 4.527 -0.001 0.000 0.340 18 F C 1.344 177.192 175.800 0.080 0.000 1.185 18 F CA 0.826 58.881 58.000 0.091 0.000 1.333 18 F CB 0.873 39.924 39.000 0.084 0.000 1.152 18 F HN 0.252 nan 8.300 nan 0.000 0.602 19 G N 3.874 112.217 108.800 -0.762 0.000 2.356 19 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.296 19 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.296 19 G C 0.369 175.216 174.900 -0.088 0.000 1.022 19 G CA 0.693 45.570 45.100 -0.371 0.000 0.961 19 G HN 0.867 nan 8.290 nan 0.000 0.510 20 D N -0.968 119.374 120.400 -0.096 0.000 2.454 20 D HA 0.286 4.926 4.640 -0.001 0.000 0.214 20 D C 0.719 176.995 176.300 -0.041 0.000 1.088 20 D CA 1.101 55.096 54.000 -0.009 0.000 0.855 20 D CB 0.569 41.385 40.800 0.026 0.000 1.025 20 D HN 0.388 nan 8.370 nan 0.000 0.502 21 S N -0.110 115.537 115.700 -0.087 0.000 2.592 21 S HA 0.569 5.039 4.470 -0.001 0.000 0.275 21 S C -1.805 172.741 174.600 -0.090 0.000 1.169 21 S CA -0.595 57.556 58.200 -0.081 0.000 0.958 21 S CB 1.206 64.354 63.200 -0.087 0.000 1.095 21 S HN -0.079 nan 8.310 nan 0.000 0.471 22 V N 4.906 124.786 119.914 -0.058 0.000 3.078 22 V HA 0.998 5.117 4.120 -0.001 0.000 0.311 22 V C -1.241 174.854 176.094 0.002 0.000 1.138 22 V CA -0.251 62.028 62.300 -0.036 0.000 1.007 22 V CB 2.030 33.840 31.823 -0.022 0.000 1.045 22 V HN 0.949 nan 8.190 nan 0.000 0.432 23 V N 4.085 124.018 119.914 0.030 0.000 3.178 23 V HA 0.540 4.660 4.120 -0.001 0.000 0.302 23 V C -1.269 174.884 176.094 0.097 0.000 1.262 23 V CA -0.599 61.736 62.300 0.059 0.000 1.030 23 V CB 2.632 34.496 31.823 0.068 0.000 1.074 23 V HN 0.936 nan 8.190 nan 0.000 0.438 24 Q N 3.734 123.592 119.800 0.097 0.000 2.369 24 Q HA 0.204 4.543 4.340 -0.001 0.000 0.247 24 Q C -0.736 175.360 176.000 0.161 0.000 1.083 24 Q CA 0.016 55.889 55.803 0.117 0.000 0.905 24 Q CB 0.845 29.625 28.738 0.070 0.000 1.305 24 Q HN 0.693 nan 8.270 nan 0.000 0.465 25 Y N 2.101 122.439 120.300 0.063 0.000 2.183 25 Y HA 0.162 4.712 4.550 -0.001 0.000 0.380 25 Y C 0.457 176.390 175.900 0.055 0.000 1.308 25 Y CA -0.629 57.505 58.100 0.056 0.000 1.813 25 Y CB 0.253 38.773 38.460 0.101 0.000 1.584 25 Y HN 0.671 nan 8.280 nan 0.000 0.665 26 A N 2.614 124.948 122.820 -0.810 0.000 2.622 26 A HA -0.169 4.151 4.320 -0.001 0.000 0.235 26 A C 1.271 178.768 177.584 -0.144 0.000 1.013 26 A CA 0.453 52.156 52.037 -0.558 0.000 0.765 26 A CB -0.363 18.153 19.000 -0.808 0.000 0.921 26 A HN 0.879 nan 8.150 nan 0.000 0.506 27 N N 1.477 120.133 118.700 -0.075 0.000 2.182 27 N HA -0.154 4.586 4.740 -0.001 0.000 0.192 27 N C 1.728 177.264 175.510 0.043 0.000 1.007 27 N CA 1.914 54.960 53.050 -0.006 0.000 0.873 27 N CB -0.323 38.151 38.487 -0.023 0.000 0.998 27 N HN 0.657 nan 8.380 nan 0.000 0.436 28 S N -1.041 114.715 115.700 0.094 0.000 2.453 28 S HA -0.013 4.457 4.470 -0.001 0.000 0.231 28 S C 0.048 174.599 174.600 -0.081 0.000 1.005 28 S CA 0.625 58.854 58.200 0.048 0.000 0.949 28 S CB 0.108 63.417 63.200 0.182 0.000 0.774 28 S HN 0.374 nan 8.310 nan 0.000 0.510 29 W N -1.081 120.304 121.300 0.142 0.000 3.029 29 W HA 0.679 5.339 4.660 -0.001 0.000 0.339 29 W C -0.998 175.639 176.519 0.196 0.000 1.198 29 W CA -0.710 56.752 57.345 0.195 0.000 1.148 29 W CB 1.047 30.677 29.460 0.284 0.000 1.451 29 W HN -0.304 nan 8.180 nan 0.000 0.564 30 V N 2.447 122.599 119.914 0.397 0.000 2.588 30 V HA 0.733 4.853 4.120 -0.001 0.000 0.304 30 V C -1.555 174.648 176.094 0.183 0.000 1.042 30 V CA -0.952 61.505 62.300 0.262 0.000 0.877 30 V CB 1.755 33.702 31.823 0.207 0.000 0.996 30 V HN 0.341 nan 8.190 nan 0.000 0.425 31 V N 7.345 127.327 119.914 0.113 0.000 2.398 31 V HA 0.567 4.687 4.120 -0.001 0.000 0.286 31 V C 0.083 176.169 176.094 -0.014 0.000 1.026 31 V CA -0.157 62.152 62.300 0.015 0.000 0.868 31 V CB 1.746 33.527 31.823 -0.071 0.000 0.982 31 V HN 0.886 nan 8.190 nan 0.000 0.443 32 V N 2.444 122.327 119.914 -0.051 0.000 3.093 32 V HA 1.051 5.171 4.120 -0.001 0.000 0.320 32 V C 0.325 176.312 176.094 -0.178 0.000 1.093 32 V CA -0.553 61.640 62.300 -0.179 0.000 1.016 32 V CB 1.769 33.335 31.823 -0.427 0.000 1.096 32 V HN 0.886 nan 8.190 nan 0.000 0.452 33 G N -0.025 108.634 108.800 -0.235 0.000 2.513 33 G HA2 0.751 4.711 3.960 -0.001 0.000 0.317 33 G HA3 0.751 4.711 3.960 -0.001 0.000 0.317 33 G C -0.582 174.243 174.900 -0.125 0.000 1.277 33 G CA -0.387 44.628 45.100 -0.141 0.000 0.955 33 G HN 1.635 nan 8.290 nan 0.000 0.484 34 A N 3.692 126.503 122.820 -0.015 0.000 3.030 34 A HA 0.676 4.996 4.320 -0.001 0.000 0.335 34 A C -1.769 175.846 177.584 0.052 0.000 1.089 34 A CA -1.182 50.901 52.037 0.077 0.000 0.807 34 A CB 1.404 20.551 19.000 0.246 0.000 1.099 34 A HN 0.368 nan 8.150 nan 0.000 0.474 35 P HA -0.167 nan 4.420 nan 0.000 0.216 35 P C 0.712 178.040 177.300 0.048 0.000 1.150 35 P CA 1.408 64.527 63.100 0.031 0.000 0.843 35 P CB 0.262 31.977 31.700 0.025 0.000 0.787 36 Q N -0.831 119.007 119.800 0.063 0.000 2.242 36 Q HA 0.109 4.449 4.340 -0.001 0.000 0.246 36 Q C 0.312 176.355 176.000 0.071 0.000 0.883 36 Q CA 0.128 55.970 55.803 0.065 0.000 0.984 36 Q CB -0.410 28.370 28.738 0.070 0.000 1.096 36 Q HN 0.140 nan 8.270 nan 0.000 0.452 37 K N 1.557 122.000 120.400 0.072 0.000 2.222 37 K HA 0.176 4.496 4.320 -0.001 0.000 0.243 37 K C -0.637 175.988 176.600 0.041 0.000 1.160 37 K CA -0.263 56.069 56.287 0.075 0.000 1.090 37 K CB -0.177 32.380 32.500 0.096 0.000 1.694 37 K HN 0.268 nan 8.250 nan 0.000 0.361 38 I N 3.372 123.964 120.570 0.037 0.000 2.996 38 I HA -0.179 3.990 4.170 -0.001 0.000 0.310 38 I C 0.403 176.528 176.117 0.012 0.000 1.225 38 I CA 1.052 62.366 61.300 0.022 0.000 1.442 38 I CB 0.006 38.018 38.000 0.020 0.000 1.334 38 I HN 0.568 nan 8.210 nan 0.000 0.550 39 T N 3.470 118.026 114.554 0.003 0.000 2.991 39 T HA 0.712 5.062 4.350 -0.001 0.000 0.303 39 T C -0.047 174.650 174.700 -0.005 0.000 1.015 39 T CA -0.131 61.965 62.100 -0.006 0.000 1.007 39 T CB 1.871 70.727 68.868 -0.020 0.000 1.034 39 T HN 1.259 nan 8.240 nan 0.000 0.446 40 A N 2.286 125.103 122.820 -0.006 0.000 5.699 40 A HA 0.250 4.570 4.320 -0.001 0.000 0.280 40 A C 0.756 178.337 177.584 -0.005 0.000 2.071 40 A CA 0.157 52.190 52.037 -0.006 0.000 0.714 40 A CB -1.691 17.305 19.000 -0.006 0.000 1.162 40 A HN 2.576 nan 8.150 nan 0.000 0.363 41 A N 0.173 122.990 122.820 -0.006 0.000 2.391 41 A HA 0.518 4.838 4.320 -0.001 0.000 0.316 41 A C 0.609 178.183 177.584 -0.017 0.000 1.381 41 A CA 0.486 52.517 52.037 -0.011 0.000 0.998 41 A CB -0.779 18.214 19.000 -0.011 0.000 1.147 41 A HN 1.678 nan 8.150 nan 0.000 0.545 42 N N 1.305 119.993 118.700 -0.021 0.000 2.700 42 N HA -0.202 4.538 4.740 -0.001 0.000 0.265 42 N C 0.320 175.814 175.510 -0.026 0.000 0.975 42 N CA 1.570 54.600 53.050 -0.033 0.000 0.800 42 N CB -0.564 37.884 38.487 -0.065 0.000 0.908 42 N HN 0.945 nan 8.380 nan 0.000 0.551 43 Q N -0.793 119.006 119.800 -0.002 0.000 3.078 43 Q HA 0.309 4.649 4.340 -0.001 0.000 0.202 43 Q C 0.997 177.017 176.000 0.033 0.000 1.165 43 Q CA -0.080 55.735 55.803 0.019 0.000 0.377 43 Q CB 0.454 29.201 28.738 0.016 0.000 5.614 43 Q HN 0.424 nan 8.270 nan 0.000 0.305 44 T N -2.516 112.056 114.554 0.030 0.000 2.801 44 T HA 0.444 4.793 4.350 -0.001 0.000 0.324 44 T C 0.791 175.499 174.700 0.014 0.000 1.088 44 T CA -0.034 62.085 62.100 0.031 0.000 0.975 44 T CB 0.506 69.383 68.868 0.014 0.000 1.316 44 T HN 0.639 nan 8.240 nan 0.000 0.533 45 G N -1.107 107.694 108.800 0.002 0.000 2.478 45 G HA2 0.623 4.583 3.960 -0.001 0.000 0.211 45 G HA3 0.623 4.583 3.960 -0.001 0.000 0.211 45 G C 0.518 175.390 174.900 -0.046 0.000 1.726 45 G CA -0.030 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 -1.279 107.469 108.800 -0.086 0.000 2.321 46 G HA2 0.363 4.323 3.960 -0.001 0.000 0.339 46 G HA3 0.363 4.323 3.960 -0.001 0.000 0.339 46 G C -1.457 173.308 174.900 -0.225 0.000 1.518 46 G CA -0.760 44.226 45.100 -0.190 0.000 0.994 46 G HN 0.551 nan 8.290 nan 0.000 0.668 47 L N -0.339 120.684 121.223 -0.334 0.000 2.303 47 L HA 0.806 5.145 4.340 -0.001 0.000 0.266 47 L C -0.992 175.623 176.870 -0.424 0.000 1.011 47 L CA -1.180 53.493 54.840 -0.278 0.000 0.818 47 L CB 2.197 44.123 42.059 -0.222 0.000 1.326 47 L HN 0.579 nan 8.230 nan 0.000 0.435 48 Y N 0.196 120.480 120.300 -0.026 0.000 2.354 48 Y HA 0.281 4.831 4.550 -0.001 0.000 0.330 48 Y C -0.457 175.427 175.900 -0.026 0.000 1.011 48 Y CA -0.907 57.202 58.100 0.015 0.000 1.099 48 Y CB 2.057 40.627 38.460 0.184 0.000 1.179 48 Y HN 0.457 nan 8.280 nan 0.000 0.442 49 Q N 2.006 121.881 119.800 0.125 0.000 2.241 49 Q HA 0.785 5.125 4.340 -0.001 0.000 0.254 49 Q C -1.274 174.890 176.000 0.274 0.000 0.917 49 Q CA -0.567 55.309 55.803 0.122 0.000 0.919 49 Q CB 1.551 30.209 28.738 -0.133 0.000 1.237 49 Q HN 0.619 nan 8.270 nan 0.000 0.434 50 c N 2.479 121.241 118.600 0.272 0.000 2.482 50 c HA 0.857 5.426 4.570 -0.001 0.000 0.317 50 c C 0.394 174.463 174.090 -0.034 0.000 1.197 50 c CA -0.544 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 0.199 108.859 108.800 -0.235 0.000 2.441 51 G HA2 0.470 4.430 3.960 -0.001 0.000 0.334 51 G HA3 0.470 4.430 3.960 -0.001 0.000 0.334 51 G C -0.195 174.715 174.900 0.016 0.000 1.161 51 G CA -0.173 44.652 45.100 -0.458 0.000 0.935 51 G HN 0.795 nan 8.290 nan 0.000 0.488 52 Y N 1.115 121.358 120.300 -0.095 0.000 2.243 52 Y HA -0.059 4.491 4.550 -0.001 0.000 0.293 52 Y C 2.882 178.774 175.900 -0.014 0.000 1.124 52 Y CA 2.137 60.250 58.100 0.022 0.000 1.159 52 Y CB -0.104 38.344 38.460 -0.020 0.000 1.008 52 Y HN 0.458 nan 8.280 nan 0.000 0.527 53 S N -0.302 115.348 115.700 -0.083 0.000 2.401 53 S HA -0.248 4.221 4.470 -0.001 0.000 0.236 53 S C 0.892 175.371 174.600 -0.201 0.000 1.058 53 S CA 1.981 60.096 58.200 -0.140 0.000 1.151 53 S CB -1.187 61.968 63.200 -0.076 0.000 1.049 53 S HN 0.671 nan 8.310 nan 0.000 0.432 54 T N -0.611 113.872 114.554 -0.118 0.000 2.792 54 T HA 0.625 4.975 4.350 -0.001 0.000 0.280 54 T C 0.050 174.765 174.700 0.024 0.000 0.990 54 T CA -0.477 61.580 62.100 -0.071 0.000 0.960 54 T CB 1.798 70.652 68.868 -0.024 0.000 0.939 54 T HN 0.217 nan 8.240 nan 0.000 0.439 55 G N 1.759 110.560 108.800 0.001 0.000 2.852 55 G HA2 0.519 4.479 3.960 -0.001 0.000 0.280 55 G HA3 0.519 4.479 3.960 -0.001 0.000 0.280 55 G C 0.048 175.125 174.900 0.295 0.000 0.731 55 G CA -0.205 44.973 45.100 0.129 0.000 2.037 55 G HN 1.252 nan 8.290 nan 0.000 0.560 56 A N 0.767 123.838 122.820 0.418 0.000 2.594 56 A HA 0.592 4.912 4.320 -0.001 0.000 0.296 56 A C -0.807 176.766 177.584 -0.018 0.000 1.061 56 A CA -0.581 51.561 52.037 0.175 0.000 0.689 56 A CB 0.997 20.043 19.000 0.076 0.000 1.280 56 A HN 0.565 nan 8.150 nan 0.000 0.406 57 c N 1.988 120.524 118.600 -0.107 0.000 2.281 57 c HA 0.688 5.257 4.570 -0.001 0.000 0.325 57 c C -0.110 173.981 174.090 0.003 0.000 1.282 57 c CA -0.619 55.620 56.329 -0.149 0.000 1.640 57 c CB 0.471 42.812 42.510 -0.281 0.000 2.288 57 c HN 0.746 nan 8.230 nan 0.000 0.507 58 E N 3.517 123.802 120.200 0.142 0.000 2.197 58 E HA 0.335 4.685 4.350 -0.001 0.000 0.281 58 E C -2.274 174.495 176.600 0.282 0.000 0.995 58 E CA -1.920 54.588 56.400 0.181 0.000 0.808 58 E CB 1.010 30.798 29.700 0.147 0.000 1.093 58 E HN 0.408 nan 8.360 nan 0.000 0.394 59 P HA 0.063 nan 4.420 nan 0.000 0.269 59 P C -0.174 177.078 177.300 -0.080 0.000 1.211 59 P CA 0.168 63.304 63.100 0.061 0.000 0.781 59 P CB 0.599 32.318 31.700 0.031 0.000 0.877 60 I N 0.697 121.138 120.570 -0.215 0.000 2.433 60 I HA 0.483 4.652 4.170 -0.001 0.000 0.292 60 I C 0.378 176.366 176.117 -0.215 0.000 1.001 60 I CA -0.735 60.437 61.300 -0.212 0.000 1.119 60 I CB 1.304 39.153 38.000 -0.253 0.000 1.289 60 I HN 0.337 nan 8.210 nan 0.000 0.438 61 G N 7.890 116.583 108.800 -0.177 0.000 2.365 61 G HA2 0.440 4.400 3.960 -0.001 0.000 0.249 61 G HA3 0.440 4.400 3.960 -0.001 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 1.463 122.564 121.223 -0.204 0.000 2.482 62 L HA 0.266 4.606 4.340 -0.001 0.000 0.263 62 L C -0.727 176.026 176.870 -0.196 0.000 0.957 62 L CA -0.888 53.792 54.840 -0.265 0.000 0.836 62 L CB 2.650 44.468 42.059 -0.402 0.000 1.324 62 L HN 0.412 nan 8.230 nan 0.000 0.406 63 Q N 2.199 121.902 119.800 -0.161 0.000 2.963 63 Q HA 0.252 4.592 4.340 -0.001 0.000 0.262 63 Q C -0.597 175.379 176.000 -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 29.356 28.738 -0.029 0.000 1.424 63 Q HN 0.312 nan 8.270 nan 0.000 0.560 64 V N 3.334 123.204 119.914 -0.074 0.000 2.409 64 V HA 0.082 4.202 4.120 -0.001 0.000 0.270 64 V C -1.843 174.277 176.094 0.043 0.000 1.019 64 V CA -1.291 61.007 62.300 -0.004 0.000 1.066 64 V CB -0.327 31.472 31.823 -0.040 0.000 1.021 64 V HN 0.479 nan 8.190 nan 0.000 0.476 65 P HA 0.184 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 -1.350 61.785 63.100 0.057 0.000 0.771 65 P CB 0.162 31.897 31.700 0.059 0.000 0.858 66 P HA -0.194 nan 4.420 nan 0.000 0.218 66 P C 1.254 178.576 177.300 0.036 0.000 1.146 66 P CA 1.371 64.487 63.100 0.027 0.000 0.813 66 P CB 0.015 31.725 31.700 0.018 0.000 0.778 67 E N 0.230 120.451 120.200 0.035 0.000 2.049 67 E HA -0.122 4.227 4.350 -0.001 0.000 0.198 67 E C 1.118 177.753 176.600 0.058 0.000 1.007 67 E CA 0.986 57.409 56.400 0.038 0.000 0.809 67 E CB -1.083 28.627 29.700 0.015 0.000 0.749 67 E HN 0.168 nan 8.360 nan 0.000 0.450 68 A N 2.227 125.083 122.820 0.060 0.000 2.444 68 A HA 0.338 4.657 4.320 -0.001 0.000 0.273 68 A C 0.021 177.662 177.584 0.096 0.000 1.136 68 A CA -0.121 51.964 52.037 0.080 0.000 0.799 68 A CB 0.308 19.361 19.000 0.088 0.000 1.081 68 A HN -0.030 nan 8.150 nan 0.000 0.509 69 V N 2.870 122.860 119.914 0.127 0.000 2.864 69 V HA 0.339 4.459 4.120 -0.001 0.000 0.314 69 V C 0.925 177.135 176.094 0.192 0.000 1.073 69 V CA -0.535 61.837 62.300 0.120 0.000 0.956 69 V CB 1.666 33.545 31.823 0.093 0.000 1.023 69 V HN 1.056 nan 8.190 nan 0.000 0.435 70 N N 2.075 120.836 118.700 0.101 0.000 2.685 70 N HA -0.255 4.485 4.740 -0.001 0.000 0.251 70 N C 0.911 176.562 175.510 0.236 0.000 1.020 70 N CA 1.572 54.683 53.050 0.102 0.000 0.762 70 N CB -0.425 37.978 38.487 -0.140 0.000 0.958 70 N HN 0.859 nan 8.380 nan 0.000 0.539 71 M N -2.211 117.494 119.600 0.174 0.000 2.558 71 M HA 0.148 4.628 4.480 -0.001 0.000 0.255 71 M C 0.322 176.686 176.300 0.108 0.000 1.113 71 M CA 0.745 56.131 55.300 0.142 0.000 1.097 71 M CB 0.124 32.795 32.600 0.118 0.000 1.426 71 M HN 0.063 nan 8.290 nan 0.000 0.488 72 S N 2.921 118.676 115.700 0.092 0.000 3.292 72 S HA -0.090 4.380 4.470 -0.001 0.000 0.360 72 S C 0.200 174.831 174.600 0.052 0.000 0.930 72 S CA 0.574 58.813 58.200 0.065 0.000 1.317 72 S CB -2.380 60.862 63.200 0.070 0.000 0.920 72 S HN 0.684 nan 8.310 nan 0.000 0.540 73 L N -1.118 120.137 121.223 0.053 0.000 2.474 73 L HA 0.745 5.085 4.340 -0.001 0.000 0.259 73 L C 1.530 178.405 176.870 0.009 0.000 1.232 73 L CA 0.740 55.614 54.840 0.057 0.000 0.821 73 L CB -0.306 41.815 42.059 0.102 0.000 1.108 73 L HN 0.631 nan 8.230 nan 0.000 0.495 74 G N -0.262 108.537 108.800 -0.001 0.000 2.268 74 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.240 74 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.240 74 G C 0.654 175.521 174.900 -0.054 0.000 1.010 74 G CA 0.492 45.570 45.100 -0.036 0.000 0.618 74 G HN 0.965 nan 8.290 nan 0.000 0.516 75 L N 1.616 122.807 121.223 -0.054 0.000 2.042 75 L HA 0.370 4.710 4.340 -0.001 0.000 0.210 75 L C 1.417 178.187 176.870 -0.166 0.000 1.076 75 L CA 2.809 57.590 54.840 -0.097 0.000 0.749 75 L CB -0.247 41.758 42.059 -0.089 0.000 0.893 75 L HN 0.527 nan 8.230 nan 0.000 0.432 76 S N -0.980 114.626 115.700 -0.156 0.000 2.473 76 S HA 0.674 5.144 4.470 -0.001 0.000 0.307 76 S C -0.750 173.798 174.600 -0.086 0.000 1.094 76 S CA -0.799 57.294 58.200 -0.180 0.000 1.070 76 S CB 0.566 63.630 63.200 -0.227 0.000 1.019 76 S HN 0.182 nan 8.310 nan 0.000 0.480 77 L N 2.785 123.971 121.223 -0.063 0.000 2.327 77 L HA 0.993 5.333 4.340 -0.001 0.000 0.258 77 L C -0.644 176.255 176.870 0.049 0.000 1.024 77 L CA -0.917 53.922 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 0.859 123.761 122.820 0.136 0.000 2.573 78 A HA 0.642 4.962 4.320 -0.001 0.000 0.299 78 A C -1.450 176.392 177.584 0.430 0.000 1.060 78 A CA -0.359 51.834 52.037 0.258 0.000 0.736 78 A CB 1.848 21.003 19.000 0.259 0.000 1.280 78 A HN 0.439 nan 8.150 nan 0.000 0.401 79 S N 0.293 116.140 115.700 0.245 0.000 2.536 79 S HA 0.842 5.312 4.470 -0.001 0.000 0.287 79 S C -0.337 173.987 174.600 -0.459 0.000 1.101 79 S CA 0.204 58.370 58.200 -0.056 0.000 0.950 79 S CB 1.792 65.022 63.200 0.049 0.000 1.056 79 S HN 1.506 nan 8.310 nan 0.000 0.481 80 T N 0.836 114.774 114.554 -1.027 0.000 2.950 80 T HA 0.593 4.943 4.350 -0.001 0.000 0.288 80 T C 1.155 175.618 174.700 -0.395 0.000 1.035 80 T CA 0.118 61.748 62.100 -0.784 0.000 1.028 80 T CB 1.260 69.461 68.868 -1.111 0.000 1.109 80 T HN 0.813 nan 8.240 nan 0.000 0.514 81 T N -0.750 113.662 114.554 -0.237 0.000 2.971 81 T HA 0.194 4.543 4.350 -0.001 0.000 0.252 81 T C 1.922 176.552 174.700 -0.116 0.000 1.022 81 T CA 0.422 62.430 62.100 -0.155 0.000 0.980 81 T CB -0.185 68.624 68.868 -0.097 0.000 1.044 81 T HN 0.392 nan 8.240 nan 0.000 0.501 82 S N 3.155 118.794 115.700 -0.101 0.000 2.523 82 S HA 0.017 4.486 4.470 -0.001 0.000 0.226 82 S C -1.495 173.080 174.600 -0.043 0.000 1.062 82 S CA 0.880 59.052 58.200 -0.047 0.000 1.207 82 S CB -1.208 61.984 63.200 -0.012 0.000 1.151 82 S HN 0.490 nan 8.310 nan 0.000 0.408 83 P HA 0.319 nan 4.420 nan 0.000 0.288 83 P C -1.134 176.114 177.300 -0.086 0.000 1.267 83 P CA -0.366 62.708 63.100 -0.043 0.000 0.815 83 P CB 0.983 32.677 31.700 -0.011 0.000 0.989 84 S N 2.411 118.044 115.700 -0.111 0.000 2.571 84 S HA 0.124 4.593 4.470 -0.001 0.000 0.297 84 S C -0.100 174.422 174.600 -0.131 0.000 1.234 84 S CA -0.262 57.829 58.200 -0.182 0.000 1.120 84 S CB -0.450 62.605 63.200 -0.242 0.000 0.923 84 S HN 0.400 nan 8.310 nan 0.000 0.504 85 Q N 1.589 121.309 119.800 -0.133 0.000 2.587 85 Q HA 0.772 5.112 4.340 -0.001 0.000 0.293 85 Q C -1.196 174.881 176.000 0.129 0.000 1.083 85 Q CA -1.010 54.819 55.803 0.045 0.000 0.792 85 Q CB 2.264 31.070 28.738 0.112 0.000 1.484 85 Q HN 0.737 nan 8.270 nan 0.000 0.446 86 L N 0.762 122.176 121.223 0.319 0.000 2.376 86 L HA 0.660 5.000 4.340 -0.001 0.000 0.258 86 L C -2.103 174.972 176.870 0.342 0.000 1.013 86 L CA -1.024 54.012 54.840 0.326 0.000 0.822 86 L CB 2.242 44.417 42.059 0.194 0.000 1.388 86 L HN 0.533 nan 8.230 nan 0.000 0.413 87 L N 3.243 124.657 121.223 0.319 0.000 2.446 87 L HA 0.827 5.167 4.340 -0.001 0.000 0.268 87 L C -0.752 176.179 176.870 0.103 0.000 0.975 87 L CA -0.080 54.872 54.840 0.186 0.000 0.848 87 L CB 1.227 43.348 42.059 0.103 0.000 1.225 87 L HN 0.678 nan 8.230 nan 0.000 0.410 88 A N 3.578 126.454 122.820 0.093 0.000 2.299 88 A HA 0.911 5.231 4.320 -0.001 0.000 0.332 88 A C -0.947 176.713 177.584 0.127 0.000 1.131 88 A CA -0.408 51.679 52.037 0.084 0.000 0.844 88 A CB 1.298 20.332 19.000 0.057 0.000 1.251 88 A HN 0.752 nan 8.150 nan 0.000 0.486 89 c N -0.301 118.353 118.600 0.090 0.000 2.891 89 c HA 0.660 5.230 4.570 -0.001 0.000 0.342 89 c C 0.524 174.654 174.090 0.066 0.000 1.126 89 c CA -0.500 55.859 56.329 0.050 0.000 1.322 89 c CB 1.511 44.005 42.510 -0.027 0.000 1.763 89 c HN 1.172 nan 8.230 nan 0.000 0.491 90 G N 2.635 111.482 108.800 0.078 0.000 3.005 90 G HA2 0.480 4.440 3.960 -0.001 0.000 0.342 90 G HA3 0.480 4.440 3.960 -0.001 0.000 0.342 90 G C -2.165 172.751 174.900 0.027 0.000 1.101 90 G CA -0.912 44.230 45.100 0.070 0.000 1.225 90 G HN 0.564 nan 8.290 nan 0.000 0.462 91 P HA 0.080 nan 4.420 nan 0.000 0.258 91 P C 0.808 178.142 177.300 0.057 0.000 1.319 91 P CA 0.683 63.815 63.100 0.053 0.000 0.785 91 P CB 0.345 32.106 31.700 0.102 0.000 1.252 92 T N -4.544 110.033 114.554 0.038 0.000 3.633 92 T HA 0.239 4.588 4.350 -0.001 0.000 0.278 92 T C 0.082 174.749 174.700 -0.055 0.000 0.991 92 T CA -0.420 61.680 62.100 -0.000 0.000 1.036 92 T CB -0.794 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 2.271 122.160 119.914 -0.042 0.000 2.763 93 V HA 0.223 4.343 4.120 -0.001 0.000 0.306 93 V C 0.017 176.054 176.094 -0.096 0.000 1.059 93 V CA 0.022 62.334 62.300 0.020 0.000 1.138 93 V CB -0.178 31.660 31.823 0.025 0.000 0.940 93 V HN 0.662 nan 8.190 nan 0.000 0.489 94 H N 2.542 121.665 119.070 0.089 0.000 2.646 94 H HA 0.554 5.110 4.556 -0.001 0.000 0.328 94 H C -0.322 175.062 175.328 0.093 0.000 0.998 94 H CA -0.545 55.538 56.048 0.058 0.000 1.225 94 H CB 0.767 30.536 29.762 0.012 0.000 1.457 94 H HN 0.924 nan 8.280 nan 0.000 0.505 95 H N 0.154 119.288 119.070 0.107 0.000 2.587 95 H HA 0.303 4.859 4.556 -0.001 0.000 0.325 95 H C -0.646 174.729 175.328 0.079 0.000 1.012 95 H CA -1.169 54.928 56.048 0.081 0.000 1.213 95 H CB 0.911 30.708 29.762 0.059 0.000 1.431 95 H HN 0.616 nan 8.280 nan 0.000 0.492 96 E N 2.846 123.070 120.200 0.040 0.000 2.166 96 E HA 0.152 4.502 4.350 -0.001 0.000 0.279 96 E C -0.483 176.138 176.600 0.034 0.000 1.095 96 E CA -0.613 55.776 56.400 -0.018 0.000 0.888 96 E CB 0.513 30.215 29.700 0.003 0.000 1.041 96 E HN 0.638 nan 8.360 nan 0.000 0.414 97 c N 4.083 122.687 118.600 0.006 0.000 2.435 97 c HA 0.396 4.966 4.570 -0.001 0.000 0.326 97 c C 1.412 175.530 174.090 0.045 0.000 1.328 97 c CA 0.229 56.612 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 2.809 111.614 108.800 0.008 0.000 3.127 98 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.280 98 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.280 98 G C 1.233 176.121 174.900 -0.020 0.000 1.491 98 G CA 0.458 45.559 45.100 0.002 0.000 1.029 98 G HN 0.453 nan 8.290 nan 0.000 0.582 99 R N 1.800 122.296 120.500 -0.007 0.000 2.119 99 R HA -0.106 4.233 4.340 -0.001 0.000 0.246 99 R C 0.653 176.919 176.300 -0.057 0.000 1.146 99 R CA 2.194 58.285 56.100 -0.014 0.000 0.962 99 R CB -0.730 29.577 30.300 0.012 0.000 0.863 99 R HN 1.148 nan 8.270 nan 0.000 0.442 100 N N 0.273 118.902 118.700 -0.120 0.000 2.452 100 N HA 0.185 4.925 4.740 -0.001 0.000 0.277 100 N C -0.648 174.531 175.510 -0.551 0.000 1.078 100 N CA -0.980 51.909 53.050 -0.269 0.000 0.947 100 N CB 1.037 39.374 38.487 -0.250 0.000 1.655 100 N HN 0.270 nan 8.380 nan 0.000 0.490 101 M N -0.254 119.050 119.600 -0.494 0.000 2.245 101 M HA 0.636 5.116 4.480 -0.001 0.000 0.292 101 M C -0.958 174.830 176.300 -0.853 0.000 1.176 101 M CA -0.040 54.926 55.300 -0.556 0.000 1.035 101 M CB 0.650 33.110 32.600 -0.234 0.000 1.440 101 M HN 0.521 nan 8.290 nan 0.000 0.494 102 Y N -0.795 119.282 120.300 -0.373 0.000 2.974 102 Y HA 0.755 5.305 4.550 -0.001 0.000 0.310 102 Y C -1.091 174.678 175.900 -0.217 0.000 1.526 102 Y CA -1.097 56.866 58.100 -0.227 0.000 1.087 102 Y CB 1.398 39.784 38.460 -0.124 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 4.822 4.340 -0.001 0.000 0.272 103 L C 0.236 177.115 176.870 0.015 0.000 0.980 103 L CA -0.230 54.586 54.840 -0.040 0.000 0.826 103 L CB 2.147 44.137 42.059 -0.115 0.000 1.268 103 L HN 0.830 nan 8.230 nan 0.000 0.407 104 T N 0.821 115.384 114.554 0.015 0.000 3.085 104 T HA 0.466 4.816 4.350 -0.001 0.000 0.241 104 T C 0.597 175.241 174.700 -0.093 0.000 0.988 104 T CA 0.587 62.653 62.100 -0.058 0.000 1.117 104 T CB 0.238 69.043 68.868 -0.106 0.000 0.978 104 T HN 1.009 nan 8.240 nan 0.000 0.454 105 G N 1.136 109.893 108.800 -0.072 0.000 2.785 105 G HA2 0.172 4.132 3.960 -0.001 0.000 0.686 105 G HA3 0.172 4.132 3.960 -0.001 0.000 0.686 105 G C -1.281 173.537 174.900 -0.136 0.000 1.155 105 G CA -0.299 44.755 45.100 -0.077 0.000 0.760 105 G HN 0.979 nan 8.290 nan 0.000 0.624 106 L N 2.325 123.450 121.223 -0.163 0.000 2.516 106 L HA 0.799 5.138 4.340 -0.001 0.000 0.267 106 L C -0.085 176.497 176.870 -0.480 0.000 0.957 106 L CA -0.669 53.983 54.840 -0.312 0.000 0.860 106 L CB 1.637 43.522 42.059 -0.291 0.000 1.265 106 L HN 0.990 nan 8.230 nan 0.000 0.403 107 c N 3.421 121.675 118.600 -0.577 0.000 2.486 107 c HA 0.765 5.334 4.570 -0.001 0.000 0.348 107 c C -0.811 172.786 174.090 -0.821 0.000 1.203 107 c CA -0.553 55.447 56.329 -0.549 0.000 1.911 107 c CB 1.495 43.838 42.510 -0.277 0.000 2.340 107 c HN 0.696 nan 8.230 nan 0.000 0.511 108 F N 1.403 121.296 119.950 -0.095 0.000 2.539 108 F HA 0.576 5.102 4.527 -0.001 0.000 0.318 108 F C -0.214 175.546 175.800 -0.065 0.000 1.135 108 F CA -0.587 57.361 58.000 -0.086 0.000 0.915 108 F CB 0.708 39.659 39.000 -0.080 0.000 1.176 108 F HN 0.131 nan 8.300 nan 0.000 0.440 109 L N 4.835 126.111 121.223 0.088 0.000 2.264 109 L HA 0.508 4.848 4.340 -0.001 0.000 0.289 109 L C -0.636 176.287 176.870 0.087 0.000 1.044 109 L CA -0.545 54.347 54.840 0.086 0.000 0.807 109 L CB 1.052 43.138 42.059 0.046 0.000 1.192 109 L HN 0.548 nan 8.230 nan 0.000 0.425 110 L N 2.472 123.748 121.223 0.089 0.000 2.558 110 L HA 0.964 5.304 4.340 -0.001 0.000 0.260 110 L C 0.582 177.516 176.870 0.107 0.000 1.130 110 L CA -0.355 54.515 54.840 0.049 0.000 1.049 110 L CB 1.189 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 -1.438 107.429 108.800 0.113 0.000 2.347 111 G HA2 0.103 4.063 3.960 -0.001 0.000 0.341 111 G HA3 0.103 4.063 3.960 -0.001 0.000 0.341 111 G C -2.742 172.208 174.900 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 0.228 nan 4.420 nan 0.000 0.246 112 P C 0.594 177.907 177.300 0.022 0.000 1.686 112 P CA 1.241 64.358 63.100 0.029 0.000 0.867 112 P CB -0.197 31.513 31.700 0.017 0.000 1.733 113 T N -4.319 110.250 114.554 0.025 0.000 2.574 113 T HA 0.318 4.668 4.350 -0.001 0.000 0.224 113 T C -0.544 174.166 174.700 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 0.693 120.503 119.800 0.017 0.000 2.243 114 Q HA 0.546 4.886 4.340 -0.001 0.000 0.252 114 Q C -0.708 175.301 176.000 0.014 0.000 0.909 114 Q CA -0.504 55.305 55.803 0.011 0.000 0.922 114 Q CB 1.608 30.351 28.738 0.008 0.000 1.215 114 Q HN 0.412 nan 8.270 nan 0.000 0.427 115 L N 3.347 124.575 121.223 0.008 0.000 2.451 115 L HA 0.093 4.432 4.340 -0.001 0.000 0.272 115 L C -0.038 176.847 176.870 0.026 0.000 1.258 115 L CA -0.101 54.748 54.840 0.015 0.000 1.132 115 L CB -0.554 41.505 42.059 -0.000 0.000 1.361 115 L HN 0.645 nan 8.230 nan 0.000 0.438 116 T N 1.692 116.260 114.554 0.022 0.000 2.868 116 T HA 0.234 4.583 4.350 -0.001 0.000 0.292 116 T C 0.053 174.754 174.700 0.003 0.000 1.028 116 T CA -0.329 61.771 62.100 -0.001 0.000 1.059 116 T CB 0.993 69.847 68.868 -0.023 0.000 0.991 116 T HN 0.447 nan 8.240 nan 0.000 0.531 117 Q N 1.192 120.961 119.800 -0.052 0.000 2.303 117 Q HA 0.378 4.717 4.340 -0.001 0.000 0.267 117 Q C -0.683 175.180 176.000 -0.229 0.000 1.011 117 Q CA -0.476 55.248 55.803 -0.132 0.000 0.740 117 Q CB 1.951 30.640 28.738 -0.082 0.000 1.250 117 Q HN 0.318 nan 8.270 nan 0.000 0.458 118 R N 2.794 123.099 120.500 -0.325 0.000 2.415 118 R HA 0.193 4.533 4.340 -0.001 0.000 0.292 118 R C 0.009 176.011 176.300 -0.496 0.000 1.295 118 R CA -0.207 55.641 56.100 -0.420 0.000 1.137 118 R CB 1.140 31.126 30.300 -0.524 0.000 1.135 118 R HN 0.549 nan 8.270 nan 0.000 0.560 119 L N 3.411 124.417 121.223 -0.361 0.000 2.463 119 L HA 0.259 4.599 4.340 -0.001 0.000 0.219 119 L C -1.742 175.063 176.870 -0.108 0.000 1.088 119 L CA 0.648 55.335 54.840 -0.256 0.000 0.849 119 L CB 0.233 42.154 42.059 -0.230 0.000 1.012 119 L HN 0.287 nan 8.230 nan 0.000 0.468 120 P HA 0.243 nan 4.420 nan 0.000 0.247 120 P C 0.274 177.483 177.300 -0.152 0.000 1.683 120 P CA -0.028 62.954 63.100 -0.197 0.000 1.143 120 P CB 1.277 32.879 31.700 -0.163 0.000 1.577 121 V N 1.407 121.214 119.914 -0.178 0.000 2.471 121 V HA -0.277 3.843 4.120 -0.001 0.000 0.132 121 V C 0.990 177.017 176.094 -0.112 0.000 0.451 121 V CA 2.003 64.215 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 2.026 117.657 115.700 -0.115 0.000 3.065 122 S HA 0.330 4.799 4.470 -0.001 0.000 0.311 122 S C 0.642 175.166 174.600 -0.127 0.000 1.204 122 S CA -0.275 57.862 58.200 -0.104 0.000 1.040 122 S CB 0.010 63.151 63.200 -0.099 0.000 1.436 122 S HN 0.840 nan 8.310 nan 0.000 0.532 123 R N 2.607 123.039 120.500 -0.113 0.000 2.614 123 R HA -0.073 4.267 4.340 -0.001 0.000 0.335 123 R C -0.495 175.702 176.300 -0.171 0.000 0.859 123 R CA 0.205 56.228 56.100 -0.128 0.000 1.123 123 R CB -0.311 29.939 30.300 -0.084 0.000 0.887 123 R HN 0.612 nan 8.270 nan 0.000 0.407 124 Q N 3.293 122.945 119.800 -0.248 0.000 2.371 124 Q HA -0.047 4.293 4.340 -0.001 0.000 0.254 124 Q C -0.349 175.434 176.000 -0.361 0.000 1.264 124 Q CA 0.647 56.265 55.803 -0.308 0.000 0.904 124 Q CB 0.299 28.814 28.738 -0.371 0.000 1.507 124 Q HN 0.580 nan 8.270 nan 0.000 0.495 125 E N 0.848 120.929 120.200 -0.198 0.000 2.422 125 E HA -0.022 4.328 4.350 -0.001 0.000 0.260 125 E C -0.005 176.556 176.600 -0.064 0.000 1.108 125 E CA -0.425 55.910 56.400 -0.109 0.000 0.943 125 E CB 0.623 30.288 29.700 -0.058 0.000 0.961 125 E HN 0.554 nan 8.360 nan 0.000 0.443 126 c N 2.223 120.861 118.600 0.063 0.000 2.705 126 c HA 0.215 4.785 4.570 -0.001 0.000 0.348 126 c C -1.269 172.858 174.090 0.061 0.000 1.386 126 c CA -1.058 55.364 56.329 0.154 0.000 2.361 126 c CB -1.294 41.336 42.510 0.200 0.000 2.486 126 c HN 0.693 nan 8.230 nan 0.000 0.728 327 S N -0.046 115.622 115.700 -0.054 0.000 2.874 327 S HA 0.520 4.990 4.470 -0.001 0.000 0.271 327 S C -0.103 174.497 174.600 0.001 0.000 1.061 327 S CA -0.567 57.576 58.200 -0.094 0.000 1.029 327 S CB -0.190 62.863 63.200 -0.245 0.000 0.925 327 S HN 0.375 nan 8.310 nan 0.000 0.459 328 F N 3.266 123.236 119.950 0.033 0.000 2.625 328 F HA -0.098 4.429 4.527 -0.001 0.000 0.292 328 F C 1.809 177.609 175.800 -0.001 0.000 1.035 328 F CA 1.118 59.094 58.000 -0.041 0.000 1.259 328 F CB 0.461 39.375 39.000 -0.144 0.000 0.976 328 F HN 0.118 nan 8.300 nan 0.000 0.652 329 E N 0.078 120.365 120.200 0.144 0.000 3.161 329 E HA 0.353 4.703 4.350 -0.001 0.000 0.197 329 E C 0.066 176.571 176.600 -0.159 0.000 1.204 329 E CA 0.203 56.669 56.400 0.110 0.000 1.180 329 E CB 0.214 29.948 29.700 0.057 0.000 2.346 329 E HN 0.440 nan 8.360 nan 0.000 0.537 330 L N 1.905 123.022 121.223 -0.177 0.000 2.559 330 L HA 0.229 4.569 4.340 -0.001 0.000 0.276 330 L C 0.026 176.751 176.870 -0.242 0.000 1.457 330 L CA 0.040 54.719 54.840 -0.269 0.000 0.708 330 L CB 1.040 42.953 42.059 -0.243 0.000 0.987 330 L HN -0.023 nan 8.230 nan 0.000 0.518 331 E N 0.554 120.592 120.200 -0.269 0.000 2.206 331 E HA 0.220 4.570 4.350 -0.001 0.000 0.195 331 E C 0.673 177.179 176.600 -0.157 0.000 0.935 331 E CA 0.900 57.125 56.400 -0.291 0.000 0.875 331 E CB 0.381 29.647 29.700 -0.723 0.000 0.841 331 E HN 0.354 nan 8.360 nan 0.000 0.477 332 M N 0.067 119.479 119.600 -0.314 0.000 3.074 332 M HA 0.493 4.972 4.480 -0.001 0.000 0.252 332 M C 0.238 176.258 176.300 -0.467 0.000 1.181 332 M CA -0.244 54.886 55.300 -0.284 0.000 0.771 332 M CB 1.371 33.828 32.600 -0.239 0.000 1.375 332 M HN 0.048 nan 8.290 nan 0.000 0.512 333 A N -0.116 122.506 122.820 -0.329 0.000 2.220 333 A HA 0.099 4.419 4.320 -0.001 0.000 0.211 333 A C 1.145 178.659 177.584 -0.115 0.000 1.176 333 A CA 0.147 52.017 52.037 -0.280 0.000 0.834 333 A CB 0.073 18.927 19.000 -0.244 0.000 0.868 333 A HN 0.729 nan 8.150 nan 0.000 0.488 334 Q N 0.466 120.217 119.800 -0.083 0.000 2.411 334 Q HA -0.232 4.108 4.340 -0.001 0.000 0.305 334 Q C 0.025 176.042 176.000 0.029 0.000 1.273 334 Q CA 0.880 56.677 55.803 -0.011 0.000 0.895 334 Q CB -1.475 27.285 28.738 0.038 0.000 1.198 334 Q HN 0.864 nan 8.270 nan 0.000 0.470 335 E N -0.541 119.652 120.200 -0.012 0.000 2.508 335 E HA 0.051 4.401 4.350 -0.001 0.000 0.266 335 E C 1.282 177.904 176.600 0.036 0.000 1.010 335 E CA 1.149 57.568 56.400 0.031 0.000 0.955 335 E CB 0.080 29.747 29.700 -0.057 0.000 0.946 335 E HN 0.497 nan 8.360 nan 0.000 0.454 336 G N 3.539 112.385 108.800 0.076 0.000 2.157 336 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.239 336 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.239 336 G C 0.358 175.284 174.900 0.042 0.000 0.982 336 G CA 0.242 45.361 45.100 0.032 0.000 0.650 336 G HN 0.647 nan 8.290 nan 0.000 0.527 337 F N 2.494 122.409 119.950 -0.057 0.000 2.202 337 F HA 0.190 4.716 4.527 -0.001 0.000 0.301 337 F C 1.405 177.128 175.800 -0.129 0.000 1.082 337 F CA 2.204 60.139 58.000 -0.107 0.000 1.313 337 F CB 0.183 39.103 39.000 -0.134 0.000 1.024 337 F HN 0.726 nan 8.300 nan 0.000 0.495 338 S N -0.474 115.220 115.700 -0.010 0.000 2.592 338 S HA 0.781 5.251 4.470 -0.001 0.000 0.275 338 S C -0.873 173.727 174.600 0.001 0.000 1.169 338 S CA -0.395 57.762 58.200 -0.072 0.000 0.958 338 S CB 1.042 64.231 63.200 -0.018 0.000 1.095 338 S HN 0.484 nan 8.310 nan 0.000 0.471 339 A N 1.858 124.665 122.820 -0.021 0.000 2.413 339 A HA 0.998 5.318 4.320 -0.001 0.000 0.307 339 A C -0.838 176.750 177.584 0.007 0.000 1.087 339 A CA -1.017 51.008 52.037 -0.021 0.000 0.750 339 A CB 1.988 20.945 19.000 -0.071 0.000 1.296 339 A HN 1.958 nan 8.150 nan 0.000 0.423 340 V N 1.614 121.524 119.914 -0.008 0.000 3.000 340 V HA 0.622 4.741 4.120 -0.001 0.000 0.300 340 V C -1.349 174.784 176.094 0.066 0.000 1.251 340 V CA -0.772 61.587 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 3.084 123.064 119.950 0.050 0.000 2.284 341 F HA 0.796 5.323 4.527 -0.001 0.000 0.297 341 F C 0.856 176.688 175.800 0.054 0.000 1.215 341 F CA 0.765 58.799 58.000 0.055 0.000 1.120 341 F CB 1.380 40.410 39.000 0.049 0.000 1.426 341 F HN 0.652 nan 8.300 nan 0.000 0.514 342 T N -0.644 114.076 114.554 0.276 0.000 3.094 342 T HA 0.179 4.529 4.350 -0.001 0.000 0.373 342 T C -2.432 172.358 174.700 0.150 0.000 1.806 342 T CA -1.090 61.111 62.100 0.168 0.000 1.107 342 T CB 1.056 69.995 68.868 0.119 0.000 1.632 342 T HN 0.140 nan 8.240 nan 0.000 0.488 343 P HA -0.104 nan 4.420 nan 0.000 0.218 343 P C 0.086 177.444 177.300 0.096 0.000 1.150 343 P CA 1.592 64.748 63.100 0.092 0.000 0.841 343 P CB -0.115 31.625 31.700 0.068 0.000 0.784 344 D N -1.508 118.952 120.400 0.100 0.000 3.133 344 D HA 0.458 5.098 4.640 -0.001 0.000 0.288 344 D C 0.612 176.980 176.300 0.113 0.000 1.346 344 D CA -0.575 53.486 54.000 0.101 0.000 0.934 344 D CB -0.581 40.279 40.800 0.100 0.000 1.042 344 D HN 0.168 nan 8.370 nan 0.000 0.506 345 G N 0.745 109.619 108.800 0.123 0.000 2.712 345 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.686 345 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.686 345 G C -2.830 172.131 174.900 0.102 0.000 1.321 345 G CA -1.146 44.029 45.100 0.125 0.000 0.813 345 G HN 0.267 nan 8.290 nan 0.000 0.599 346 P HA 0.492 nan 4.420 nan 0.000 0.274 346 P C -0.195 177.119 177.300 0.024 0.000 1.264 346 P CA -0.404 62.613 63.100 -0.138 0.000 0.795 346 P CB 0.768 32.269 31.700 -0.332 0.000 1.064 347 V N 0.897 120.792 119.914 -0.031 0.000 2.610 347 V HA 0.190 4.310 4.120 -0.001 0.000 0.288 347 V C -0.604 175.520 176.094 0.050 0.000 1.055 347 V CA -0.363 61.967 62.300 0.050 0.000 0.902 347 V CB 1.278 33.114 31.823 0.022 0.000 1.030 347 V HN 0.273 nan 8.190 nan 0.000 0.448 348 L N 3.349 124.660 121.223 0.147 0.000 2.352 348 L HA 0.918 5.258 4.340 -0.001 0.000 0.269 348 L C 0.835 177.809 176.870 0.173 0.000 1.034 348 L CA 0.112 55.033 54.840 0.136 0.000 0.806 348 L CB 1.588 43.742 42.059 0.160 0.000 1.244 348 L HN 0.680 nan 8.230 nan 0.000 0.447 349 G N 0.320 109.213 108.800 0.155 0.000 2.416 349 G HA2 0.704 4.664 3.960 -0.001 0.000 0.324 349 G HA3 0.704 4.664 3.960 -0.001 0.000 0.324 349 G C -1.129 173.890 174.900 0.198 0.000 1.194 349 G CA -0.360 44.839 45.100 0.165 0.000 0.922 349 G HN 0.795 nan 8.290 nan 0.000 0.467 350 A N 1.258 124.213 122.820 0.225 0.000 2.295 350 A HA 0.708 5.028 4.320 -0.001 0.000 0.318 350 A C 1.127 178.764 177.584 0.088 0.000 1.134 350 A CA -0.025 52.114 52.037 0.169 0.000 0.827 350 A CB 1.594 20.755 19.000 0.268 0.000 1.136 350 A HN 1.563 nan 8.150 nan 0.000 0.493 351 V N -0.956 118.973 119.914 0.026 0.000 3.090 351 V HA 0.349 4.469 4.120 -0.001 0.000 0.237 351 V C 1.371 177.488 176.094 0.039 0.000 1.209 351 V CA 1.091 63.458 62.300 0.111 0.000 1.209 351 V CB -0.681 31.250 31.823 0.180 0.000 0.971 351 V HN 1.015 nan 8.190 nan 0.000 0.477 352 G N 1.349 109.970 108.800 -0.299 0.000 3.474 352 G HA2 0.232 4.191 3.960 -0.001 0.000 0.269 352 G HA3 0.232 4.191 3.960 -0.001 0.000 0.269 352 G C 0.275 174.693 174.900 -0.803 0.000 1.339 352 G CA 0.217 44.715 45.100 -1.003 0.000 1.258 352 G HN 0.411 nan 8.290 nan 0.000 0.560 353 S N 1.250 116.618 115.700 -0.554 0.000 2.429 353 S HA 0.431 4.900 4.470 -0.001 0.000 0.292 353 S C 0.451 174.511 174.600 -0.900 0.000 1.183 353 S CA -0.432 57.197 58.200 -0.950 0.000 1.088 353 S CB -0.160 62.496 63.200 -0.906 0.000 1.018 353 S HN 0.453 nan 8.310 nan 0.000 0.511 354 F N 0.064 119.951 119.950 -0.104 0.000 2.193 354 F HA -0.321 4.205 4.527 -0.001 0.000 0.339 354 F C 1.756 177.576 175.800 0.034 0.000 0.486 354 F CA 1.165 59.156 58.000 -0.014 0.000 0.908 354 F CB -2.088 36.918 39.000 0.010 0.000 4.085 354 F HN 0.481 nan 8.300 nan 0.000 0.143 355 T N -2.978 111.772 114.554 0.326 0.000 3.535 355 T HA 0.306 4.655 4.350 -0.001 0.000 0.238 355 T C -0.196 174.695 174.700 0.317 0.000 0.909 355 T CA 0.446 62.720 62.100 0.290 0.000 0.928 355 T CB -1.512 67.487 68.868 0.219 0.000 1.134 355 T HN 0.578 nan 8.240 nan 0.000 0.627 356 W N 0.189 121.491 121.300 0.004 0.000 5.692 356 W HA -0.298 4.362 4.660 -0.001 0.000 0.371 356 W C 1.806 178.278 176.519 -0.079 0.000 1.354 356 W CA 0.544 57.831 57.345 -0.095 0.000 0.955 356 W CB -2.429 26.919 29.460 -0.186 0.000 2.465 356 W HN 0.543 nan 8.180 nan 0.000 1.554 357 S N -0.209 115.584 115.700 0.154 0.000 2.344 357 S HA 0.306 4.776 4.470 -0.001 0.000 0.217 357 S C 1.444 176.114 174.600 0.117 0.000 1.033 357 S CA 2.536 60.831 58.200 0.158 0.000 1.017 357 S CB -0.343 63.018 63.200 0.268 0.000 0.941 357 S HN 1.350 nan 8.310 nan 0.000 0.430 358 G N -1.730 107.111 108.800 0.068 0.000 2.408 358 G HA2 0.453 4.413 3.960 -0.001 0.000 0.682 358 G HA3 0.453 4.413 3.960 -0.001 0.000 0.682 358 G C -0.042 174.870 174.900 0.021 0.000 1.303 358 G CA -0.490 44.639 45.100 0.050 0.000 0.966 358 G HN 1.558 nan 8.290 nan 0.000 0.560 359 G N -1.712 107.066 108.800 -0.036 0.000 2.360 359 G HA2 0.822 4.782 3.960 -0.001 0.000 0.276 359 G HA3 0.822 4.782 3.960 -0.001 0.000 0.276 359 G C -0.770 173.971 174.900 -0.266 0.000 1.256 359 G CA 1.183 46.077 45.100 -0.343 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 -0.571 0.000 2.512 360 A HA 0.667 4.986 4.320 -0.001 0.000 0.294 360 A C -1.620 175.811 177.584 -0.254 0.000 1.054 360 A CA -0.559 51.350 52.037 -0.214 0.000 0.756 360 A CB 0.664 19.559 19.000 -0.176 0.000 1.293 360 A HN 1.082 nan 8.150 nan 0.000 0.395 361 F N 2.408 122.395 119.950 0.061 0.000 2.404 361 F HA 0.392 4.918 4.527 -0.001 0.000 0.359 361 F C 0.532 176.134 175.800 -0.330 0.000 1.134 361 F CA -0.054 57.901 58.000 -0.075 0.000 1.160 361 F CB 1.142 40.033 39.000 -0.181 0.000 1.186 361 F HN 0.587 nan 8.300 nan 0.000 0.526 362 L N 5.263 126.371 121.223 -0.191 0.000 2.331 362 L HA 0.330 4.670 4.340 -0.001 0.000 0.278 362 L C -1.252 175.433 176.870 -0.309 0.000 1.106 362 L CA -0.424 54.321 54.840 -0.157 0.000 0.824 362 L CB 0.402 42.420 42.059 -0.067 0.000 1.142 362 L HN 0.465 nan 8.230 nan 0.000 0.443 363 Y N 5.610 125.931 120.300 0.035 0.000 2.334 363 Y HA 0.452 5.001 4.550 -0.001 0.000 0.336 363 Y C -2.107 173.807 175.900 0.024 0.000 0.960 363 Y CA -2.251 55.861 58.100 0.020 0.000 1.164 363 Y CB 0.918 39.373 38.460 -0.008 0.000 1.155 363 Y HN 0.556 nan 8.280 nan 0.000 0.478 364 P HA 0.114 nan 4.420 nan 0.000 0.312 364 P C -2.432 174.932 177.300 0.108 0.000 1.307 364 P CA -1.284 61.884 63.100 0.113 0.000 0.738 364 P CB -0.015 31.734 31.700 0.082 0.000 1.422 365 P HA 0.066 nan 4.420 nan 0.000 0.247 365 P C -0.080 177.252 177.300 0.054 0.000 1.756 365 P CA 0.255 63.394 63.100 0.066 0.000 1.117 365 P CB -0.722 31.013 31.700 0.059 0.000 1.869 366 N N 0.105 118.837 118.700 0.054 0.000 2.961 366 N HA -0.170 4.570 4.740 -0.001 0.000 0.223 366 N C 0.207 175.742 175.510 0.042 0.000 0.866 366 N CA 0.894 53.968 53.050 0.040 0.000 1.030 366 N CB -1.157 37.347 38.487 0.028 0.000 1.037 366 N HN 0.450 nan 8.380 nan 0.000 0.608 367 M N 1.827 121.455 119.600 0.048 0.000 2.245 367 M HA 0.125 4.605 4.480 -0.001 0.000 0.330 367 M C 0.625 176.952 176.300 0.045 0.000 1.098 367 M CA 0.014 55.338 55.300 0.039 0.000 1.172 367 M CB 0.677 33.300 32.600 0.039 0.000 1.467 367 M HN 0.277 nan 8.290 nan 0.000 0.454 368 S N 4.822 120.536 115.700 0.024 0.000 2.552 368 S HA 0.316 4.785 4.470 -0.001 0.000 0.289 368 S C -2.388 172.214 174.600 0.003 0.000 1.304 368 S CA -1.140 57.071 58.200 0.019 0.000 1.063 368 S CB -0.360 62.838 63.200 -0.004 0.000 0.848 368 S HN 0.602 nan 8.310 nan 0.000 0.499 369 P HA 0.255 nan 4.420 nan 0.000 0.274 369 P C 0.283 177.514 177.300 -0.115 0.000 1.246 369 P CA -0.353 62.691 63.100 -0.094 0.000 0.795 369 P CB 0.616 32.152 31.700 -0.274 0.000 1.006 370 T N -2.001 112.453 114.554 -0.167 0.000 2.844 370 T HA 0.757 5.107 4.350 -0.001 0.000 0.274 370 T C -1.014 173.595 174.700 -0.152 0.000 0.991 370 T CA -0.605 61.372 62.100 -0.204 0.000 0.983 370 T CB 1.096 69.739 68.868 -0.375 0.000 1.310 370 T HN 0.390 nan 8.240 nan 0.000 0.596 371 F N 0.135 119.819 119.950 -0.443 0.000 2.688 371 F HA 0.604 5.131 4.527 -0.001 0.000 0.308 371 F C -2.098 173.408 175.800 -0.489 0.000 1.117 371 F CA -1.475 56.164 58.000 -0.601 0.000 0.976 371 F CB 1.516 39.992 39.000 -0.875 0.000 1.291 371 F HN 0.808 nan 8.300 nan 0.000 0.439 372 I N 3.602 123.284 120.570 -1.479 0.000 2.493 372 I HA 0.521 4.690 4.170 -0.001 0.000 0.279 372 I C -1.137 174.181 176.117 -1.332 0.000 1.045 372 I CA -0.614 60.017 61.300 -1.115 0.000 1.106 372 I CB 1.205 38.708 38.000 -0.828 0.000 1.216 372 I HN 0.610 nan 8.210 nan 0.000 0.459 373 N N 6.034 124.234 118.700 -0.833 0.000 2.669 373 N HA 0.474 5.214 4.740 -0.001 0.000 0.306 373 N C 0.103 175.492 175.510 -0.201 0.000 1.352 373 N CA -0.614 52.233 53.050 -0.338 0.000 0.886 373 N CB 0.370 39.031 38.487 0.290 0.000 1.107 373 N HN 0.526 nan 8.380 nan 0.000 0.534 374 M N 0.255 119.858 119.600 0.007 0.000 2.778 374 M HA 0.228 4.707 4.480 -0.001 0.000 0.359 374 M C -0.254 176.069 176.300 0.037 0.000 1.216 374 M CA -0.067 55.272 55.300 0.064 0.000 0.935 374 M CB -1.361 31.319 32.600 0.133 0.000 1.330 374 M HN 0.922 nan 8.290 nan 0.000 0.516 375 S N 0.235 115.930 115.700 -0.009 0.000 3.410 375 S HA -0.294 4.176 4.470 -0.001 0.000 0.640 375 S C 0.501 175.062 174.600 -0.064 0.000 2.552 375 S CA 1.239 59.412 58.200 -0.045 0.000 2.728 375 S CB -0.246 62.941 63.200 -0.020 0.000 0.329 375 S HN 0.668 nan 8.310 nan 0.000 1.792 376 Q N -0.053 119.694 119.800 -0.089 0.000 2.396 376 Q HA 0.153 4.493 4.340 -0.001 0.000 0.220 376 Q C 1.985 177.966 176.000 -0.032 0.000 0.900 376 Q CA 0.495 56.247 55.803 -0.084 0.000 0.925 376 Q CB -0.091 28.571 28.738 -0.127 0.000 1.065 376 Q HN 0.789 nan 8.270 nan 0.000 0.535 377 E N 0.906 121.093 120.200 -0.023 0.000 2.333 377 E HA -0.177 4.172 4.350 -0.001 0.000 0.200 377 E C 0.153 176.762 176.600 0.015 0.000 1.010 377 E CA 0.422 56.820 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 0.621 119.335 118.700 0.023 0.000 2.605 378 N HA -0.035 4.705 4.740 -0.001 0.000 0.258 378 N C 0.940 176.479 175.510 0.050 0.000 1.156 378 N CA -0.108 52.971 53.050 0.048 0.000 1.008 378 N CB 0.808 39.335 38.487 0.066 0.000 1.354 378 N HN -0.048 nan 8.380 nan 0.000 0.509 379 V N -0.003 119.936 119.914 0.041 0.000 2.332 379 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 379 V C 1.030 177.146 176.094 0.035 0.000 1.055 379 V CA 1.622 63.941 62.300 0.032 0.000 1.038 379 V CB -0.925 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 -0.227 120.203 120.400 0.050 0.000 2.315 380 D HA 0.133 4.773 4.640 -0.001 0.000 0.275 380 D C 1.057 177.388 176.300 0.053 0.000 1.218 380 D CA -0.050 53.963 54.000 0.020 0.000 1.040 380 D CB -0.099 40.720 40.800 0.033 0.000 1.123 380 D HN 0.309 nan 8.370 nan 0.000 0.541 381 M N -2.734 116.883 119.600 0.028 0.000 2.872 381 M HA -0.219 4.261 4.480 -0.001 0.000 0.200 381 M C -1.048 175.274 176.300 0.036 0.000 0.582 381 M CA 0.483 55.856 55.300 0.121 0.000 0.706 381 M CB -0.913 31.813 32.600 0.210 0.000 2.560 381 M HN 0.381 nan 8.290 nan 0.000 0.476 382 R N 1.900 122.378 120.500 -0.037 0.000 2.316 382 R HA 0.199 4.539 4.340 -0.001 0.000 0.314 382 R C -0.080 176.145 176.300 -0.125 0.000 1.069 382 R CA 0.125 56.209 56.100 -0.026 0.000 0.959 382 R CB 0.258 30.546 30.300 -0.020 0.000 0.987 382 R HN 0.342 nan 8.270 nan 0.000 0.446 383 D N 1.856 122.194 120.400 -0.103 0.000 3.187 383 D HA -0.119 4.521 4.640 -0.001 0.000 0.244 383 D C 0.121 176.172 176.300 -0.413 0.000 1.114 383 D CA 1.484 55.296 54.000 -0.314 0.000 0.920 383 D CB -0.887 39.693 40.800 -0.367 0.000 0.970 383 D HN 0.724 nan 8.370 nan 0.000 0.418 384 S N -0.729 114.787 115.700 -0.307 0.000 2.728 384 S HA 0.098 4.568 4.470 -0.001 0.000 0.257 384 S C 0.628 175.195 174.600 -0.055 0.000 1.060 384 S CA -0.306 57.783 58.200 -0.185 0.000 1.126 384 S CB 0.233 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 0.632 120.974 120.300 0.070 0.000 3.589 385 Y HA -0.163 4.387 4.550 -0.001 0.000 0.218 385 Y C 0.244 176.210 175.900 0.110 0.000 1.234 385 Y CA -0.099 58.062 58.100 0.101 0.000 1.576 385 Y CB -2.515 36.008 38.460 0.105 0.000 1.487 385 Y HN 0.520 nan 8.280 nan 0.000 0.616 386 L N 1.254 122.592 121.223 0.192 0.000 2.745 386 L HA 0.368 4.707 4.340 -0.001 0.000 0.273 386 L C 1.205 178.170 176.870 0.158 0.000 1.156 386 L CA 1.690 56.627 54.840 0.162 0.000 0.982 386 L CB -0.055 42.084 42.059 0.132 0.000 1.295 386 L HN 0.656 nan 8.230 nan 0.000 0.483 387 G N 3.200 112.111 108.800 0.184 0.000 2.159 387 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.170 387 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.170 387 G C 0.512 175.568 174.900 0.260 0.000 1.007 387 G CA 0.217 45.420 45.100 0.173 0.000 0.672 387 G HN 0.729 nan 8.290 nan 0.000 0.507 388 Y N 2.311 122.724 120.300 0.188 0.000 2.165 388 Y HA 0.120 4.670 4.550 -0.001 0.000 0.286 388 Y C 1.671 177.809 175.900 0.398 0.000 1.155 388 Y CA 2.417 60.695 58.100 0.297 0.000 1.164 388 Y CB 0.158 38.749 38.460 0.218 0.000 0.978 388 Y HN 0.665 nan 8.280 nan 0.000 0.513 389 S N -0.673 115.267 115.700 0.400 0.000 2.548 389 S HA 0.675 5.145 4.470 -0.001 0.000 0.286 389 S C -0.577 174.108 174.600 0.142 0.000 1.098 389 S CA -0.200 58.138 58.200 0.229 0.000 0.930 389 S CB 2.176 65.514 63.200 0.231 0.000 1.070 389 S HN 0.325 nan 8.310 nan 0.000 0.480 390 T N -1.095 113.513 114.554 0.089 0.000 2.912 390 T HA 0.810 5.160 4.350 -0.001 0.000 0.299 390 T C -1.130 173.600 174.700 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 70.768 68.868 0.060 0.000 1.070 390 T HN 0.778 nan 8.240 nan 0.000 0.465 391 E N 1.044 121.268 120.200 0.041 0.000 2.392 391 E HA 0.640 4.989 4.350 -0.001 0.000 0.279 391 E C -1.706 174.916 176.600 0.036 0.000 0.964 391 E CA -0.862 55.562 56.400 0.040 0.000 0.777 391 E CB 1.828 31.544 29.700 0.027 0.000 1.249 391 E HN 0.677 nan 8.360 nan 0.000 0.449 392 L N 1.935 123.188 121.223 0.050 0.000 2.469 392 L HA 0.843 5.183 4.340 -0.001 0.000 0.253 392 L C -0.334 176.557 176.870 0.035 0.000 1.143 392 L CA 0.419 55.289 54.840 0.050 0.000 0.804 392 L CB 1.427 43.531 42.059 0.075 0.000 1.214 392 L HN 0.675 nan 8.230 nan 0.000 0.476 393 A N 3.093 125.935 122.820 0.037 0.000 3.214 393 A HA 0.278 4.597 4.320 -0.001 0.000 0.203 393 A C -0.399 177.235 177.584 0.082 0.000 0.960 393 A CA -0.465 51.593 52.037 0.036 0.000 1.113 393 A CB -0.674 18.313 19.000 -0.020 0.000 1.280 393 A HN 0.679 nan 8.150 nan 0.000 0.573 394 L N 0.249 121.532 121.223 0.099 0.000 2.581 394 L HA 0.218 4.558 4.340 -0.001 0.000 0.299 394 L C -0.065 176.945 176.870 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 42.447 42.059 0.092 0.000 1.113 394 L HN 0.634 nan 8.230 nan 0.000 0.514 395 W N 4.133 125.434 121.300 0.002 0.000 3.075 395 W HA 0.269 4.929 4.660 -0.001 0.000 0.334 395 W C 0.591 177.111 176.519 0.002 0.000 1.243 395 W CA -0.917 56.429 57.345 0.002 0.000 1.170 395 W CB 1.098 30.559 29.460 0.001 0.000 1.452 395 W HN 0.577 nan 8.180 nan 0.000 0.572 396 K N 0.915 120.739 120.400 -0.960 0.000 2.228 396 K HA -0.107 4.213 4.320 -0.001 0.000 0.205 396 K C 1.037 177.283 176.600 -0.590 0.000 1.045 396 K CA 2.125 57.913 56.287 -0.831 0.000 0.931 396 K CB -0.449 31.400 32.500 -1.085 0.000 0.727 396 K HN 0.595 nan 8.250 nan 0.000 0.458 397 G N 0.112 108.613 108.800 -0.498 0.000 3.329 397 G HA2 0.258 4.218 3.960 -0.001 0.000 0.180 397 G HA3 0.258 4.218 3.960 -0.001 0.000 0.180 397 G C -0.105 174.873 174.900 0.129 0.000 1.640 397 G CA 0.089 45.184 45.100 -0.007 0.000 1.018 397 G HN 0.159 nan 8.290 nan 0.000 0.581 398 V N -1.463 118.583 119.914 0.219 0.000 3.036 398 V HA 0.576 4.696 4.120 -0.001 0.000 0.308 398 V C -0.009 176.172 176.094 0.144 0.000 1.070 398 V CA -0.897 61.478 62.300 0.125 0.000 1.056 398 V CB 1.009 32.870 31.823 0.063 0.000 1.084 398 V HN 0.555 nan 8.190 nan 0.000 0.471 399 Q N 1.154 121.002 119.800 0.080 0.000 2.584 399 Q HA 0.586 4.926 4.340 -0.001 0.000 0.218 399 Q C -0.253 175.767 176.000 0.032 0.000 1.079 399 Q CA 0.189 56.035 55.803 0.072 0.000 1.008 399 Q CB 0.724 29.497 28.738 0.058 0.000 1.267 399 Q HN 0.964 nan 8.270 nan 0.000 0.586 400 S N -0.106 115.602 115.700 0.014 0.000 2.566 400 S HA 0.477 4.947 4.470 -0.001 0.000 0.273 400 S C -1.112 173.471 174.600 -0.028 0.000 1.157 400 S CA -0.737 57.437 58.200 -0.043 0.000 0.938 400 S CB 0.731 63.870 63.200 -0.103 0.000 1.087 400 S HN 0.372 nan 8.310 nan 0.000 0.474 401 L N 2.190 123.406 121.223 -0.013 0.000 2.400 401 L HA 0.811 5.151 4.340 -0.001 0.000 0.264 401 L C -0.759 176.116 176.870 0.008 0.000 1.061 401 L CA -0.866 53.984 54.840 0.018 0.000 0.799 401 L CB 1.261 43.343 42.059 0.039 0.000 1.240 401 L HN 0.358 nan 8.230 nan 0.000 0.461 402 V N 1.993 121.920 119.914 0.022 0.000 2.851 402 V HA 0.455 4.575 4.120 -0.001 0.000 0.307 402 V C -0.609 175.514 176.094 0.049 0.000 1.129 402 V CA -0.522 61.772 62.300 -0.010 0.000 0.932 402 V CB 2.220 33.996 31.823 -0.080 0.000 1.024 402 V HN 0.473 nan 8.190 nan 0.000 0.426 403 L N 2.826 124.095 121.223 0.077 0.000 2.354 403 L HA 0.894 5.234 4.340 -0.001 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 2.186 44.348 42.059 0.172 0.000 1.311 403 L HN 0.771 nan 8.230 nan 0.000 0.423 404 G N 0.821 109.681 108.800 0.100 0.000 2.335 404 G HA2 0.610 4.570 3.960 -0.001 0.000 0.316 404 G HA3 0.610 4.570 3.960 -0.001 0.000 0.316 404 G C -0.603 174.357 174.900 0.101 0.000 1.129 404 G CA -0.345 44.796 45.100 0.068 0.000 0.899 404 G HN 0.712 nan 8.290 nan 0.000 0.448 405 A N 4.711 127.554 122.820 0.038 0.000 2.786 405 A HA 0.663 4.982 4.320 -0.001 0.000 0.346 405 A C -1.519 176.035 177.584 -0.050 0.000 1.265 405 A CA -1.377 50.688 52.037 0.047 0.000 0.858 405 A CB 1.338 20.386 19.000 0.080 0.000 1.118 405 A HN 0.400 nan 8.150 nan 0.000 0.482 406 P HA -0.143 nan 4.420 nan 0.000 0.218 406 P C 0.518 177.574 177.300 -0.407 0.000 1.146 406 P CA 1.308 64.037 63.100 -0.619 0.000 0.813 406 P CB 0.143 30.977 31.700 -1.444 0.000 0.778 407 R N -2.334 118.043 120.500 -0.206 0.000 2.772 407 R HA 0.195 4.534 4.340 -0.001 0.000 0.358 407 R C -0.576 175.633 176.300 -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 2.283 122.501 120.300 -0.137 0.000 2.531 408 Y HA -0.034 4.516 4.550 -0.001 0.000 0.347 408 Y C 0.497 176.348 175.900 -0.081 0.000 1.024 408 Y CA 0.441 58.481 58.100 -0.100 0.000 1.306 408 Y CB 0.216 38.654 38.460 -0.037 0.000 1.149 408 Y HN 0.392 nan 8.280 nan 0.000 0.527 409 Q N 5.761 125.223 119.800 -0.563 0.000 2.494 409 Q HA -0.351 3.989 4.340 -0.001 0.000 0.266 409 Q C 0.085 176.079 176.000 -0.009 0.000 1.053 409 Q CA 1.145 56.756 55.803 -0.320 0.000 1.029 409 Q CB -1.597 26.943 28.738 -0.330 0.000 1.423 409 Q HN 1.130 nan 8.270 nan 0.000 0.516 410 H N -4.177 114.838 119.070 -0.092 0.000 3.641 410 H HA -0.218 4.337 4.556 -0.001 0.000 0.193 410 H C 1.389 176.719 175.328 0.004 0.000 1.013 410 H CA 1.837 57.859 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 -2.378 112.242 114.554 0.109 0.000 3.053 411 T HA 0.476 4.826 4.350 -0.001 0.000 0.236 411 T C 1.204 175.968 174.700 0.106 0.000 0.996 411 T CA 0.933 63.102 62.100 0.116 0.000 1.185 411 T CB 1.457 70.391 68.868 0.109 0.000 0.892 411 T HN 1.072 nan 8.240 nan 0.000 0.432 412 G N 1.176 110.058 108.800 0.137 0.000 2.952 412 G HA2 0.293 4.252 3.960 -0.001 0.000 0.431 412 G HA3 0.293 4.252 3.960 -0.001 0.000 0.431 412 G C -1.122 173.940 174.900 0.271 0.000 1.325 412 G CA -0.516 44.670 45.100 0.144 0.000 1.146 412 G HN 0.624 nan 8.290 nan 0.000 0.581 413 K N 1.077 121.594 120.400 0.195 0.000 2.340 413 K HA 0.915 5.235 4.320 -0.001 0.000 0.244 413 K C -0.132 176.533 176.600 0.109 0.000 0.973 413 K CA -0.399 55.968 56.287 0.133 0.000 0.828 413 K CB 2.156 34.492 32.500 -0.274 0.000 1.226 413 K HN 1.449 nan 8.250 nan 0.000 0.437 414 A N 2.383 125.291 122.820 0.146 0.000 2.343 414 A HA 0.618 4.938 4.320 -0.001 0.000 0.316 414 A C -1.374 176.158 177.584 -0.088 0.000 1.104 414 A CA -0.694 51.358 52.037 0.025 0.000 0.768 414 A CB 1.397 20.420 19.000 0.038 0.000 1.213 414 A HN 0.380 nan 8.150 nan 0.000 0.456 415 V N 3.456 123.246 119.914 -0.206 0.000 2.604 415 V HA 0.490 4.610 4.120 -0.001 0.000 0.305 415 V C -0.362 175.352 176.094 -0.634 0.000 1.043 415 V CA -0.325 61.703 62.300 -0.454 0.000 0.888 415 V CB 1.654 33.181 31.823 -0.494 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 -0.852 0.000 2.441 416 I HA 0.545 4.715 4.170 -0.001 0.000 0.295 416 I C -1.020 174.543 176.117 -0.923 0.000 0.994 416 I CA -0.239 60.595 61.300 -0.776 0.000 1.144 416 I CB 1.591 39.085 38.000 -0.844 0.000 1.314 416 I HN 0.414 nan 8.210 nan 0.000 0.445 417 F N 2.683 122.425 119.950 -0.348 0.000 2.508 417 F HA 0.522 5.049 4.527 -0.001 0.000 0.325 417 F C 0.514 176.108 175.800 -0.344 0.000 1.090 417 F CA -0.666 57.132 58.000 -0.337 0.000 0.945 417 F CB 2.184 41.043 39.000 -0.234 0.000 1.156 417 F HN 0.279 nan 8.300 nan 0.000 0.463 418 T N 1.064 115.478 114.554 -0.234 0.000 2.940 418 T HA 0.387 4.737 4.350 -0.001 0.000 0.288 418 T C -0.797 173.761 174.700 -0.236 0.000 1.033 418 T CA -0.520 61.423 62.100 -0.261 0.000 1.033 418 T CB 1.176 69.800 68.868 -0.406 0.000 1.079 418 T HN 0.670 nan 8.240 nan 0.000 0.496 419 Q N 2.821 122.431 119.800 -0.316 0.000 2.851 419 Q HA 0.360 4.700 4.340 -0.001 0.000 0.331 419 Q C -0.505 175.019 176.000 -0.793 0.000 0.979 419 Q CA -0.493 54.854 55.803 -0.761 0.000 0.955 419 Q CB 1.221 29.532 28.738 -0.712 0.000 1.298 419 Q HN 0.463 nan 8.270 nan 0.000 0.432 420 V N 1.061 120.679 119.914 -0.493 0.000 2.963 420 V HA -0.026 4.094 4.120 -0.001 0.000 0.306 420 V C 0.921 176.717 176.094 -0.497 0.000 1.077 420 V CA -0.004 62.119 62.300 -0.296 0.000 1.124 420 V CB 1.570 33.398 31.823 0.009 0.000 0.987 420 V HN 0.600 nan 8.190 nan 0.000 0.487 421 S N 4.632 120.163 115.700 -0.281 0.000 2.811 421 S HA 0.018 4.488 4.470 -0.001 0.000 0.325 421 S C 0.872 175.440 174.600 -0.054 0.000 1.224 421 S CA 0.110 58.197 58.200 -0.188 0.000 1.125 421 S CB -0.877 62.290 63.200 -0.055 0.000 0.867 421 S HN 0.773 nan 8.310 nan 0.000 0.512 422 R N 2.714 123.293 120.500 0.132 0.000 3.336 422 R HA -0.159 4.181 4.340 -0.001 0.000 0.260 422 R C 0.194 176.676 176.300 0.304 0.000 1.032 422 R CA 0.810 57.145 56.100 0.393 0.000 0.693 422 R CB -1.537 28.890 30.300 0.212 0.000 1.134 422 R HN 0.720 nan 8.270 nan 0.000 0.433 423 Q N -1.453 118.554 119.800 0.345 0.000 1.958 423 Q HA 0.051 4.391 4.340 -0.001 0.000 0.154 423 Q C 0.263 176.508 176.000 0.408 0.000 0.549 423 Q CA 0.269 56.228 55.803 0.261 0.000 0.824 423 Q CB 0.160 28.963 28.738 0.109 0.000 1.031 423 Q HN 0.451 nan 8.270 nan 0.000 0.312 424 W N 2.873 124.172 121.300 -0.001 0.000 5.563 424 W HA -0.227 4.433 4.660 -0.000 0.000 0.396 424 W C 0.099 176.579 176.519 -0.064 0.000 1.519 424 W CA 0.542 57.854 57.345 -0.055 0.000 0.953 424 W CB -1.346 28.059 29.460 -0.092 0.000 2.691 424 W HN 0.187 nan 8.180 nan 0.000 1.444 425 R N 0.026 120.560 120.500 0.057 0.000 2.603 425 R HA 0.640 4.979 4.340 -0.001 0.000 0.231 425 R C 0.630 176.885 176.300 -0.076 0.000 1.263 425 R CA -1.078 55.032 56.100 0.016 0.000 1.102 425 R CB 0.652 30.963 30.300 0.019 0.000 1.527 425 R HN 0.081 nan 8.270 nan 0.000 0.554 426 M N 1.353 120.877 119.600 -0.127 0.000 2.233 426 M HA 0.133 4.613 4.480 -0.001 0.000 0.355 426 M C 0.145 176.057 176.300 -0.647 0.000 1.191 426 M CA 0.118 55.223 55.300 -0.325 0.000 1.101 426 M CB 1.077 33.513 32.600 -0.275 0.000 1.592 426 M HN 0.416 nan 8.290 nan 0.000 0.461 427 K N 3.232 123.130 120.400 -0.836 0.000 1.995 427 K HA 0.326 4.646 4.320 -0.001 0.000 0.207 427 K C 0.417 176.671 176.600 -0.578 0.000 1.041 427 K CA 0.991 56.664 56.287 -1.022 0.000 0.942 427 K CB 0.076 32.009 32.500 -0.944 0.000 0.731 427 K HN 0.790 nan 8.250 nan 0.000 0.439 428 A N 0.665 123.137 122.820 -0.580 0.000 2.483 428 A HA 0.460 4.780 4.320 -0.001 0.000 0.306 428 A C -1.755 175.569 177.584 -0.433 0.000 1.137 428 A CA -0.816 51.000 52.037 -0.368 0.000 0.626 428 A CB 1.108 20.000 19.000 -0.180 0.000 1.352 428 A HN 0.292 nan 8.150 nan 0.000 0.508 429 E N -1.639 118.462 120.200 -0.166 0.000 2.422 429 E HA 0.579 4.928 4.350 -0.001 0.000 0.280 429 E C -1.431 175.262 176.600 0.154 0.000 1.091 429 E CA -0.741 55.597 56.400 -0.103 0.000 0.849 429 E CB 1.524 31.094 29.700 -0.217 0.000 1.353 429 E HN 1.862 nan 8.360 nan 0.000 0.449 430 V N -1.699 118.309 119.914 0.157 0.000 2.711 430 V HA 0.587 4.706 4.120 -0.001 0.000 0.304 430 V C 0.188 176.274 176.094 -0.014 0.000 1.097 430 V CA -0.237 62.130 62.300 0.111 0.000 0.906 430 V CB 0.768 32.698 31.823 0.178 0.000 1.015 430 V HN 0.975 nan 8.190 nan 0.000 0.427 431 T N 2.374 116.863 114.554 -0.108 0.000 2.680 431 T HA 0.542 4.892 4.350 -0.001 0.000 0.314 431 T C 0.867 175.402 174.700 -0.275 0.000 1.045 431 T CA 0.399 62.418 62.100 -0.136 0.000 1.025 431 T CB 0.647 69.477 68.868 -0.063 0.000 1.000 431 T HN 1.693 nan 8.240 nan 0.000 0.535 432 G N -1.142 107.537 108.800 -0.203 0.000 2.588 432 G HA2 0.411 4.370 3.960 -0.001 0.000 0.281 432 G HA3 0.411 4.370 3.960 -0.001 0.000 0.281 432 G C 0.791 175.455 174.900 -0.392 0.000 1.236 432 G CA 0.018 44.875 45.100 -0.405 0.000 0.969 432 G HN 0.866 nan 8.290 nan 0.000 0.504 433 T N -2.070 112.221 114.554 -0.438 0.000 3.039 433 T HA 0.176 4.526 4.350 -0.001 0.000 0.250 433 T C 0.751 175.391 174.700 -0.100 0.000 1.052 433 T CA 0.996 62.910 62.100 -0.311 0.000 1.125 433 T CB -0.238 68.353 68.868 -0.462 0.000 0.908 433 T HN 0.568 nan 8.240 nan 0.000 0.473 434 Q N 0.185 119.968 119.800 -0.027 0.000 2.416 434 Q HA 0.459 4.798 4.340 -0.001 0.000 0.281 434 Q C -1.439 174.629 176.000 0.113 0.000 1.067 434 Q CA -0.866 55.001 55.803 0.107 0.000 0.809 434 Q CB 2.044 30.968 28.738 0.311 0.000 1.418 434 Q HN 0.416 nan 8.270 nan 0.000 0.411 435 I N 2.592 123.221 120.570 0.098 0.000 2.533 435 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 435 I C 0.972 177.183 176.117 0.156 0.000 1.109 435 I CA 1.942 63.308 61.300 0.110 0.000 1.412 435 I CB 0.123 38.168 38.000 0.074 0.000 1.396 435 I HN 1.034 nan 8.210 nan 0.000 0.543 436 G N 4.114 113.023 108.800 0.181 0.000 2.234 436 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.260 436 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.260 436 G C 1.079 176.176 174.900 0.329 0.000 0.987 436 G CA 0.801 46.040 45.100 0.232 0.000 0.625 436 G HN 0.923 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 -0.001 0.000 0.235 437 S C 1.249 176.105 174.600 0.427 0.000 1.036 437 S CA 1.881 60.325 58.200 0.407 0.000 1.013 437 S CB -0.330 63.046 63.200 0.292 0.000 0.820 437 S HN 1.886 nan 8.310 nan 0.000 0.476 438 Y N -0.618 119.797 120.300 0.192 0.000 3.457 438 Y HA -0.211 4.339 4.550 -0.001 0.000 0.215 438 Y C -0.183 175.771 175.900 0.090 0.000 1.435 438 Y CA -0.016 58.165 58.100 0.135 0.000 1.569 438 Y CB -2.054 36.506 38.460 0.167 0.000 1.518 438 Y HN 0.477 nan 8.280 nan 0.000 0.580 439 F N 1.689 121.645 119.950 0.009 0.000 2.490 439 F HA 0.458 4.984 4.527 -0.001 0.000 0.357 439 F C 1.043 176.813 175.800 -0.050 0.000 1.166 439 F CA 1.497 59.474 58.000 -0.038 0.000 1.116 439 F CB 0.305 39.252 39.000 -0.089 0.000 1.171 439 F HN 0.344 nan 8.300 nan 0.000 0.576 440 G N 3.184 111.741 108.800 -0.406 0.000 3.272 440 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.219 440 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.219 440 G C 0.975 175.812 174.900 -0.104 0.000 0.952 440 G CA 0.056 44.983 45.100 -0.290 0.000 0.833 440 G HN 0.979 nan 8.290 nan 0.000 0.608 441 A N 0.787 123.612 122.820 0.007 0.000 1.848 441 A HA 0.321 4.641 4.320 -0.001 0.000 0.217 441 A C 1.576 179.231 177.584 0.119 0.000 1.220 441 A CA 2.356 54.483 52.037 0.149 0.000 0.645 441 A CB -0.650 18.439 19.000 0.150 0.000 0.842 441 A HN 1.039 nan 8.150 nan 0.000 0.451 442 S N -1.442 114.255 115.700 -0.005 0.000 2.549 442 S HA 0.699 5.169 4.470 -0.001 0.000 0.297 442 S C -0.990 173.569 174.600 -0.069 0.000 1.115 442 S CA -0.390 57.799 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 0.319 nan 8.310 nan 0.000 0.506 443 L N 1.542 122.744 121.223 -0.035 0.000 2.455 443 L HA 0.601 4.941 4.340 -0.001 0.000 0.264 443 L C -1.126 175.731 176.870 -0.022 0.000 0.968 443 L CA -0.268 54.545 54.840 -0.044 0.000 0.827 443 L CB 2.075 44.115 42.059 -0.032 0.000 1.317 443 L HN 0.827 nan 8.230 nan 0.000 0.407 444 C N 2.254 121.539 119.300 -0.024 0.000 2.522 444 C HA 0.657 5.117 4.460 -0.001 0.000 0.344 444 C C -0.027 174.966 174.990 0.005 0.000 1.104 444 C CA -0.703 58.311 59.018 -0.008 0.000 1.317 444 C CB 0.462 28.191 27.740 -0.018 0.000 1.896 444 C HN 0.864 nan 8.230 nan 0.000 0.443 445 S N 4.853 120.564 115.700 0.018 0.000 2.455 445 S HA 0.566 5.035 4.470 -0.001 0.000 0.278 445 S C -0.305 174.315 174.600 0.034 0.000 1.216 445 S CA -0.414 57.803 58.200 0.029 0.000 1.055 445 S CB 1.159 64.378 63.200 0.033 0.000 0.939 445 S HN 1.054 nan 8.310 nan 0.000 0.494 446 V N 2.009 121.945 119.914 0.037 0.000 3.046 446 V HA 0.546 4.666 4.120 -0.001 0.000 0.316 446 V C -1.218 174.908 176.094 0.053 0.000 1.104 446 V CA -0.887 61.438 62.300 0.041 0.000 1.006 446 V CB 2.184 34.028 31.823 0.035 0.000 1.058 446 V HN 1.010 nan 8.190 nan 0.000 0.440 447 D N 3.321 123.756 120.400 0.057 0.000 2.458 447 D HA 0.146 4.785 4.640 -0.001 0.000 0.258 447 D C 0.835 177.176 176.300 0.068 0.000 1.134 447 D CA 0.022 54.061 54.000 0.064 0.000 0.915 447 D CB 1.535 42.371 40.800 0.060 0.000 1.028 447 D HN 0.344 nan 8.370 nan 0.000 0.508 448 V N 3.584 123.541 119.914 0.072 0.000 2.363 448 V HA -0.292 3.828 4.120 -0.001 0.000 0.254 448 V C 0.848 176.991 176.094 0.080 0.000 1.074 448 V CA 2.862 65.210 62.300 0.080 0.000 1.069 448 V CB -0.055 31.815 31.823 0.078 0.000 0.659 448 V HN 0.678 nan 8.190 nan 0.000 0.455 449 D N -1.742 118.702 120.400 0.073 0.000 2.540 449 D HA 0.262 4.902 4.640 -0.001 0.000 0.229 449 D C 0.622 176.958 176.300 0.061 0.000 1.258 449 D CA 0.473 54.514 54.000 0.068 0.000 1.158 449 D CB 0.559 41.398 40.800 0.064 0.000 1.178 449 D HN 0.135 nan 8.370 nan 0.000 0.541 450 S N -1.126 114.605 115.700 0.052 0.000 3.101 450 S HA 0.101 4.571 4.470 -0.001 0.000 0.252 450 S C -0.089 174.530 174.600 0.032 0.000 0.920 450 S CA -0.149 58.076 58.200 0.043 0.000 1.158 450 S CB 0.061 63.285 63.200 0.040 0.000 1.125 450 S HN 0.526 nan 8.310 nan 0.000 0.608 451 D N 1.489 121.910 120.400 0.035 0.000 2.378 451 D HA 0.132 4.772 4.640 -0.001 0.000 0.227 451 D C 1.531 177.837 176.300 0.010 0.000 1.012 451 D CA 1.080 55.092 54.000 0.020 0.000 0.905 451 D CB -0.528 40.288 40.800 0.026 0.000 0.895 451 D HN 0.468 nan 8.370 nan 0.000 0.532 452 G N -0.537 108.277 108.800 0.024 0.000 2.253 452 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.251 452 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.251 452 G C 0.304 175.225 174.900 0.034 0.000 0.998 452 G CA 0.318 45.430 45.100 0.020 0.000 0.621 452 G HN 0.443 nan 8.290 nan 0.000 0.524 453 S N 1.937 117.667 115.700 0.049 0.000 2.410 453 S HA 0.535 5.005 4.470 -0.001 0.000 0.304 453 S C 0.502 175.214 174.600 0.185 0.000 1.095 453 S CA 0.053 58.325 58.200 0.120 0.000 1.089 453 S CB 1.370 64.627 63.200 0.095 0.000 0.968 453 S HN 0.449 nan 8.310 nan 0.000 0.480 454 T N 3.803 118.465 114.554 0.180 0.000 2.819 454 T HA -0.055 4.294 4.350 -0.001 0.000 0.282 454 T C 0.641 175.424 174.700 0.139 0.000 1.013 454 T CA 0.468 62.649 62.100 0.134 0.000 1.159 454 T CB 0.132 69.063 68.868 0.106 0.000 1.007 454 T HN 0.512 nan 8.240 nan 0.000 0.514 455 D N 1.317 121.778 120.400 0.100 0.000 2.338 455 D HA 0.224 4.864 4.640 -0.001 0.000 0.224 455 D C 0.567 176.898 176.300 0.051 0.000 0.967 455 D CA 0.591 54.642 54.000 0.085 0.000 0.896 455 D CB 0.255 41.104 40.800 0.081 0.000 1.028 455 D HN 0.545 nan 8.370 nan 0.000 0.493 456 L N -2.826 118.426 121.223 0.048 0.000 2.510 456 L HA 0.787 5.127 4.340 -0.001 0.000 0.252 456 L C -1.091 175.808 176.870 0.048 0.000 1.091 456 L CA -1.068 53.794 54.840 0.036 0.000 0.888 456 L CB 2.054 44.124 42.059 0.017 0.000 1.507 456 L HN -0.342 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 0.497 4.616 4.120 -0.001 0.000 0.303 457 V C -0.490 175.623 176.094 0.033 0.000 1.151 457 V CA -0.331 62.004 62.300 0.057 0.000 0.929 457 V CB 1.898 33.787 31.823 0.110 0.000 1.030 457 V HN 0.725 nan 8.190 nan 0.000 0.427 458 L N 4.791 126.011 121.223 -0.005 0.000 2.387 458 L HA 0.688 5.028 4.340 -0.001 0.000 0.266 458 L C -0.602 176.221 176.870 -0.078 0.000 1.059 458 L CA -0.547 54.266 54.840 -0.046 0.000 0.801 458 L CB 1.595 43.608 42.059 -0.077 0.000 1.223 458 L HN 0.447 nan 8.230 nan 0.000 0.456 459 I N -0.298 120.193 120.570 -0.131 0.000 2.894 459 I HA 0.532 4.702 4.170 -0.001 0.000 0.302 459 I C -0.119 175.841 176.117 -0.262 0.000 1.188 459 I CA -0.575 60.569 61.300 -0.258 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 2.248 110.880 108.800 -0.280 0.000 2.432 460 G HA2 0.762 4.722 3.960 -0.001 0.000 0.331 460 G HA3 0.762 4.722 3.960 -0.001 0.000 0.331 460 G C -0.873 173.938 174.900 -0.147 0.000 1.170 460 G CA -0.558 44.418 45.100 -0.207 0.000 0.943 460 G HN 0.831 nan 8.290 nan 0.000 0.483 461 A N 2.056 124.831 122.820 -0.076 0.000 3.346 461 A HA 0.590 4.910 4.320 -0.001 0.000 0.222 461 A C -1.983 175.616 177.584 0.025 0.000 1.138 461 A CA -0.437 51.629 52.037 0.049 0.000 1.074 461 A CB 0.874 19.942 19.000 0.113 0.000 1.347 461 A HN 0.341 nan 8.150 nan 0.000 0.751 462 P HA -0.162 nan 4.420 nan 0.000 0.218 462 P C 0.303 177.440 177.300 -0.271 0.000 1.146 462 P CA 1.428 64.337 63.100 -0.319 0.000 0.820 462 P CB -0.089 31.219 31.700 -0.654 0.000 0.778 463 H N -2.418 116.746 119.070 0.156 0.000 2.375 463 H HA 0.304 4.860 4.556 -0.001 0.000 0.230 463 H C -0.595 174.952 175.328 0.365 0.000 1.511 463 H CA -0.537 55.626 56.048 0.191 0.000 1.215 463 H CB -0.510 29.309 29.762 0.095 0.000 1.580 463 H HN 0.172 nan 8.280 nan 0.000 0.537 464 Y N 2.133 122.625 120.300 0.320 0.000 2.605 464 Y HA 0.495 5.045 4.550 -0.001 0.000 0.343 464 Y C -1.417 174.749 175.900 0.443 0.000 1.036 464 Y CA -1.398 56.893 58.100 0.319 0.000 1.065 464 Y CB 1.651 40.225 38.460 0.190 0.000 1.288 464 Y HN 0.266 nan 8.280 nan 0.000 0.481 465 Y N 0.535 120.298 120.300 -0.895 0.000 3.035 465 Y HA 0.380 4.930 4.550 -0.001 0.000 0.388 465 Y C -0.595 174.939 175.900 -0.611 0.000 1.268 465 Y CA -0.638 57.096 58.100 -0.610 0.000 1.128 465 Y CB 0.428 38.791 38.460 -0.162 0.000 1.820 465 Y HN 0.570 nan 8.280 nan 0.000 0.432 466 E N -1.567 118.490 120.200 -0.239 0.000 2.756 466 E HA 0.182 4.532 4.350 -0.001 0.000 0.218 466 E C 0.336 176.979 176.600 0.072 0.000 1.042 466 E CA 0.142 56.413 56.400 -0.217 0.000 1.713 466 E CB 0.272 29.880 29.700 -0.153 0.000 2.443 466 E HN 0.470 nan 8.360 nan 0.000 1.080 467 Q N 0.248 120.132 119.800 0.139 0.000 2.330 467 Q HA 0.252 4.592 4.340 -0.001 0.000 0.254 467 Q C -0.158 175.902 176.000 0.099 0.000 0.777 467 Q CA 0.867 56.744 55.803 0.123 0.000 0.972 467 Q CB 2.119 30.894 28.738 0.062 0.000 1.236 467 Q HN 0.091 nan 8.270 nan 0.000 0.508 468 T N 1.475 116.092 114.554 0.106 0.000 2.840 468 T HA 0.420 4.770 4.350 -0.001 0.000 0.287 468 T C 0.085 174.849 174.700 0.108 0.000 0.991 468 T CA -0.439 61.696 62.100 0.058 0.000 0.964 468 T CB 1.602 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 2.021 122.551 120.500 0.050 0.000 4.263 469 R HA 0.198 4.537 4.340 -0.001 0.000 0.248 469 R C 1.903 178.328 176.300 0.209 0.000 1.796 469 R CA -0.276 55.905 56.100 0.135 0.000 1.518 469 R CB -0.319 30.024 30.300 0.071 0.000 1.342 469 R HN 0.863 nan 8.270 nan 0.000 0.706 470 G N 0.148 109.066 108.800 0.197 0.000 2.446 470 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.217 470 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.217 470 G C 0.685 175.769 174.900 0.307 0.000 1.168 470 G CA 0.853 46.092 45.100 0.232 0.000 0.771 470 G HN 0.613 nan 8.290 nan 0.000 0.551 471 G N -2.110 106.893 108.800 0.338 0.000 2.340 471 G HA2 0.442 4.402 3.960 -0.001 0.000 0.282 471 G HA3 0.442 4.402 3.960 -0.001 0.000 0.282 471 G C -1.807 173.361 174.900 0.446 0.000 1.312 471 G CA 0.125 45.447 45.100 0.370 0.000 0.942 471 G HN 0.766 nan 8.290 nan 0.000 0.495 472 Q N -1.094 118.907 119.800 0.335 0.000 2.429 472 Q HA 0.568 4.908 4.340 -0.001 0.000 0.247 472 Q C -1.495 174.529 176.000 0.040 0.000 0.915 472 Q CA -0.484 55.494 55.803 0.291 0.000 0.971 472 Q CB 1.940 30.872 28.738 0.323 0.000 1.468 472 Q HN 1.143 nan 8.270 nan 0.000 0.439 473 V N 2.270 122.191 119.914 0.011 0.000 2.555 473 V HA 0.831 4.951 4.120 -0.001 0.000 0.302 473 V C -0.588 175.526 176.094 0.034 0.000 1.038 473 V CA -0.676 61.553 62.300 -0.119 0.000 0.887 473 V CB 2.006 33.621 31.823 -0.347 0.000 0.991 473 V HN 0.727 nan 8.190 nan 0.000 0.434 474 S N 3.385 119.101 115.700 0.027 0.000 2.498 474 S HA 0.560 5.030 4.470 -0.001 0.000 0.317 474 S C -0.826 173.807 174.600 0.054 0.000 1.090 474 S CA -0.470 57.801 58.200 0.118 0.000 1.089 474 S CB 1.533 64.898 63.200 0.274 0.000 0.997 474 S HN 0.708 nan 8.310 nan 0.000 0.470 475 V N 5.938 125.885 119.914 0.055 0.000 2.498 475 V HA 0.591 4.711 4.120 -0.001 0.000 0.279 475 V C -0.779 175.295 176.094 -0.032 0.000 1.048 475 V CA -0.096 62.209 62.300 0.009 0.000 0.967 475 V CB 0.316 32.147 31.823 0.013 0.000 0.988 475 V HN 1.075 nan 8.190 nan 0.000 0.473 476 c N 7.748 126.302 118.600 -0.077 0.000 3.078 476 c HA 0.401 4.971 4.570 -0.001 0.000 0.320 476 c C -2.430 171.534 174.090 -0.210 0.000 1.039 476 c CA -1.074 55.102 56.329 -0.255 0.000 1.386 476 c CB 0.754 43.093 42.510 -0.285 0.000 1.836 476 c HN 0.758 nan 8.230 nan 0.000 0.514 477 P HA 0.084 nan 4.420 nan 0.000 0.272 477 P C -0.257 176.994 177.300 -0.082 0.000 1.243 477 P CA -0.271 62.721 63.100 -0.180 0.000 0.803 477 P CB 0.520 32.082 31.700 -0.230 0.000 0.974 478 L N 1.705 122.937 121.223 0.014 0.000 2.719 478 L HA 0.444 4.784 4.340 -0.001 0.000 0.236 478 L C -2.394 174.444 176.870 -0.054 0.000 1.221 478 L CA -2.415 52.497 54.840 0.120 0.000 1.048 478 L CB -0.573 41.483 42.059 -0.005 0.000 1.364 478 L HN 0.151 nan 8.230 nan 0.000 0.447 479 P HA 0.077 nan 4.420 nan 0.000 0.264 479 P C -0.754 176.498 177.300 -0.080 0.000 1.179 479 P CA 0.120 63.134 63.100 -0.144 0.000 0.763 479 P CB 0.364 31.828 31.700 -0.393 0.000 0.806 480 R N 2.076 122.517 120.500 -0.098 0.000 2.346 480 R HA 0.652 4.992 4.340 -0.001 0.000 0.311 480 R C -0.324 175.967 176.300 -0.016 0.000 0.983 480 R CA -0.068 55.952 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 4.308 113.134 108.800 0.042 0.000 2.491 481 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.508 481 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.508 481 G C -0.982 174.032 174.900 0.189 0.000 1.143 481 G CA -0.814 44.307 45.100 0.034 0.000 1.277 481 G HN 0.358 nan 8.290 nan 0.000 0.599 482 W N 1.833 123.107 121.300 -0.044 0.000 2.055 482 W HA 0.448 5.108 4.660 -0.001 0.000 0.356 482 W C 1.762 178.285 176.519 0.008 0.000 1.331 482 W CA 0.200 57.517 57.345 -0.047 0.000 1.364 482 W CB -0.166 29.253 29.460 -0.069 0.000 1.274 482 W HN 0.905 nan 8.180 nan 0.000 0.645 483 R N -1.205 119.447 120.500 0.254 0.000 3.922 483 R HA -0.236 4.103 4.340 -0.001 0.000 0.447 483 R C 0.294 176.707 176.300 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 0.158 0.000 1.906 483 R HN 0.492 nan 8.270 nan 0.000 0.540 484 R N -0.100 120.550 120.500 0.250 0.000 2.510 484 R HA 0.365 4.705 4.340 -0.001 0.000 0.287 484 R C -2.076 174.520 176.300 0.494 0.000 1.084 484 R CA -0.597 55.712 56.100 0.349 0.000 0.934 484 R CB 1.256 31.758 30.300 0.337 0.000 1.201 484 R HN 0.125 nan 8.270 nan 0.000 0.431 485 W N 6.711 128.178 121.300 0.278 0.000 4.020 485 W HA 0.345 5.005 4.660 -0.001 0.000 0.293 485 W C -2.260 174.353 176.519 0.157 0.000 1.236 485 W CA -0.659 56.678 57.345 -0.012 0.000 1.265 485 W CB 0.861 30.221 29.460 -0.167 0.000 1.248 485 W HN 0.563 nan 8.180 nan 0.000 0.501 486 W N 4.859 125.775 121.300 -0.641 0.000 2.683 486 W HA 0.609 5.269 4.660 -0.001 0.000 0.329 486 W C -0.424 175.582 176.519 -0.855 0.000 1.037 486 W CA -1.127 55.882 57.345 -0.560 0.000 1.232 486 W CB 0.662 29.940 29.460 -0.302 0.000 1.390 486 W HN 0.276 nan 8.180 nan 0.000 0.465 487 c N 2.053 120.297 118.600 -0.592 0.000 2.539 487 c HA -0.055 4.514 4.570 -0.001 0.000 0.271 487 c C 0.933 174.934 174.090 -0.149 0.000 1.412 487 c CA 0.646 56.706 56.329 -0.448 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 0.592 120.989 120.400 -0.005 0.000 2.970 488 D HA 0.318 4.957 4.640 -0.001 0.000 0.282 488 D C 0.573 177.023 176.300 0.249 0.000 1.291 488 D CA -0.033 54.030 54.000 0.105 0.000 0.967 488 D CB 0.094 40.933 40.800 0.065 0.000 1.017 488 D HN 0.285 nan 8.370 nan 0.000 0.512 489 A N 1.684 124.623 122.820 0.199 0.000 3.074 489 A HA 0.478 4.797 4.320 -0.001 0.000 0.251 489 A C 1.306 178.955 177.584 0.108 0.000 1.695 489 A CA -0.142 52.011 52.037 0.193 0.000 1.343 489 A CB -0.795 18.269 19.000 0.107 0.000 1.078 489 A HN 0.394 nan 8.150 nan 0.000 0.644 490 V N -1.603 118.373 119.914 0.103 0.000 0.677 490 V HA -0.379 3.741 4.120 -0.001 0.000 0.092 490 V C 1.184 177.347 176.094 0.116 0.000 0.999 490 V CA 1.990 64.339 62.300 0.082 0.000 3.144 490 V CB -2.122 29.728 31.823 0.044 0.000 0.313 490 V HN 1.226 nan 8.190 nan 0.000 0.280 491 L N 0.715 121.972 121.223 0.056 0.000 2.600 491 L HA 0.739 5.078 4.340 -0.001 0.000 0.221 491 L C -0.306 176.623 176.870 0.099 0.000 1.197 491 L CA 0.134 54.940 54.840 -0.056 0.000 0.838 491 L CB 0.217 42.236 42.059 -0.067 0.000 1.474 491 L HN 1.118 nan 8.230 nan 0.000 0.514 492 Y N -2.779 117.562 120.300 0.069 0.000 2.246 492 Y HA 0.620 5.169 4.550 -0.001 0.000 0.315 492 Y C -0.220 175.749 175.900 0.115 0.000 1.251 492 Y CA -1.104 57.037 58.100 0.069 0.000 1.212 492 Y CB -0.357 38.148 38.460 0.075 0.000 1.277 492 Y HN 0.935 nan 8.280 nan 0.000 0.398 493 G N 2.338 111.244 108.800 0.176 0.000 2.544 493 G HA2 0.511 4.470 3.960 -0.001 0.000 0.242 493 G HA3 0.511 4.470 3.960 -0.001 0.000 0.242 493 G C -0.417 174.746 174.900 0.439 0.000 1.247 493 G CA 0.000 45.237 45.100 0.228 0.000 0.840 493 G HN 0.820 nan 8.290 nan 0.000 0.578 494 E N -0.553 119.773 120.200 0.210 0.000 2.909 494 E HA 0.542 4.892 4.350 -0.001 0.000 0.119 494 E C -0.915 175.361 176.600 -0.539 0.000 1.056 494 E CA -0.704 55.716 56.400 0.034 0.000 0.788 494 E CB 1.139 30.961 29.700 0.204 0.000 2.111 494 E HN 0.404 nan 8.360 nan 0.000 0.447 495 Q N -0.734 118.932 119.800 -0.224 0.000 2.939 495 Q HA 0.334 4.673 4.340 -0.001 0.000 0.274 495 Q C -1.770 174.246 176.000 0.025 0.000 0.941 495 Q CA 0.124 55.822 55.803 -0.176 0.000 0.824 495 Q CB 1.333 29.868 28.738 -0.339 0.000 1.779 495 Q HN 0.567 nan 8.270 nan 0.000 0.470 496 G N 1.863 110.711 108.800 0.080 0.000 3.343 496 G HA2 0.467 4.426 3.960 -0.001 0.000 0.279 496 G HA3 0.467 4.426 3.960 -0.001 0.000 0.279 496 G C -1.000 174.010 174.900 0.182 0.000 0.919 496 G CA 0.370 45.535 45.100 0.109 0.000 1.812 496 G HN 0.613 nan 8.290 nan 0.000 0.584 497 H N 0.864 119.971 119.070 0.062 0.000 3.298 497 H HA 0.331 4.886 4.556 -0.001 0.000 0.328 497 H C -2.777 172.610 175.328 0.098 0.000 1.278 497 H CA -0.890 55.202 56.048 0.073 0.000 1.609 497 H CB 1.810 31.630 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 -0.205 177.132 177.300 0.062 0.000 1.228 498 P CA 0.297 63.336 63.100 -0.102 0.000 0.797 498 P CB 0.383 31.914 31.700 -0.281 0.000 0.914 499 W N -0.264 121.006 121.300 -0.050 0.000 6.719 499 W HA -0.122 4.537 4.660 -0.001 0.000 0.406 499 W C 1.300 177.892 176.519 0.121 0.000 1.551 499 W CA 1.263 58.621 57.345 0.022 0.000 1.103 499 W CB -2.463 26.988 29.460 -0.016 0.000 2.735 499 W HN 0.551 nan 8.180 nan 0.000 1.586 500 G N -0.946 108.071 108.800 0.362 0.000 2.762 500 G HA2 0.087 4.047 3.960 -0.001 0.000 0.209 500 G HA3 0.087 4.047 3.960 -0.001 0.000 0.209 500 G C 0.929 175.997 174.900 0.281 0.000 1.134 500 G CA 0.040 45.365 45.100 0.375 0.000 0.781 500 G HN 0.248 nan 8.290 nan 0.000 0.528 501 R N -0.878 119.743 120.500 0.203 0.000 3.209 501 R HA -0.194 4.145 4.340 -0.001 0.000 0.252 501 R C -0.708 175.680 176.300 0.147 0.000 0.958 501 R CA 0.236 56.377 56.100 0.068 0.000 0.651 501 R CB -2.237 28.072 30.300 0.016 0.000 1.142 501 R HN 0.428 nan 8.270 nan 0.000 0.441 502 F N 0.584 120.572 119.950 0.064 0.000 2.413 502 F HA 0.409 4.936 4.527 -0.001 0.000 0.359 502 F C 1.254 177.064 175.800 0.018 0.000 1.122 502 F CA 1.052 59.099 58.000 0.079 0.000 1.160 502 F CB 1.043 40.090 39.000 0.078 0.000 1.146 502 F HN 0.364 nan 8.300 nan 0.000 0.514 503 G N 3.538 112.014 108.800 -0.539 0.000 2.164 503 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.154 503 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.154 503 G C 0.803 175.549 174.900 -0.255 0.000 1.014 503 G CA 0.008 44.802 45.100 -0.511 0.000 0.683 503 G HN 1.131 nan 8.290 nan 0.000 0.500 504 A N -0.523 122.194 122.820 -0.171 0.000 1.940 504 A HA 0.627 4.947 4.320 -0.001 0.000 0.219 504 A C 1.586 179.119 177.584 -0.085 0.000 1.176 504 A CA 2.621 54.589 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 2.309 nan 8.150 nan 0.000 0.446 505 A N -2.290 120.473 122.820 -0.095 0.000 2.588 505 A HA 0.723 5.042 4.320 -0.001 0.000 0.290 505 A C -1.506 176.027 177.584 -0.084 0.000 1.136 505 A CA -0.106 51.887 52.037 -0.074 0.000 0.681 505 A CB 0.745 19.711 19.000 -0.057 0.000 1.282 505 A HN 1.497 nan 8.150 nan 0.000 0.421 506 L N -3.290 117.898 121.223 -0.060 0.000 2.948 506 L HA 0.821 5.161 4.340 -0.001 0.000 0.248 506 L C -0.673 176.182 176.870 -0.025 0.000 0.977 506 L CA -0.186 54.626 54.840 -0.048 0.000 1.002 506 L CB 1.048 43.055 42.059 -0.086 0.000 1.519 506 L HN 1.171 nan 8.230 nan 0.000 0.422 507 T N -0.036 114.515 114.554 -0.006 0.000 2.894 507 T HA 0.629 4.979 4.350 -0.001 0.000 0.309 507 T C -1.280 173.430 174.700 0.017 0.000 1.208 507 T CA -0.285 61.819 62.100 0.007 0.000 1.016 507 T CB 2.129 71.005 68.868 0.014 0.000 1.192 507 T HN 1.372 nan 8.240 nan 0.000 0.491 508 V N 5.627 125.554 119.914 0.021 0.000 2.585 508 V HA 0.292 4.411 4.120 -0.001 0.000 0.296 508 V C 0.771 176.883 176.094 0.031 0.000 1.035 508 V CA 0.266 62.583 62.300 0.029 0.000 1.084 508 V CB 0.799 32.640 31.823 0.031 0.000 0.953 508 V HN 0.867 nan 8.190 nan 0.000 0.483 509 L N 7.123 128.367 121.223 0.036 0.000 2.388 509 L HA 0.667 5.006 4.340 -0.001 0.000 0.209 509 L C 1.023 177.913 176.870 0.033 0.000 1.061 509 L CA 1.881 56.741 54.840 0.033 0.000 0.834 509 L CB -0.438 41.642 42.059 0.034 0.000 1.029 509 L HN 1.195 nan 8.230 nan 0.000 0.473 510 G N -0.312 108.513 108.800 0.042 0.000 2.512 510 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.210 510 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.210 510 G C -0.980 173.953 174.900 0.055 0.000 1.295 510 G CA -0.076 45.051 45.100 0.046 0.000 0.934 510 G HN 0.320 nan 8.290 nan 0.000 0.554 511 D N 0.856 121.288 120.400 0.053 0.000 2.336 511 D HA 0.364 5.004 4.640 -0.001 0.000 0.249 511 D C 1.679 178.007 176.300 0.048 0.000 1.213 511 D CA 0.489 54.528 54.000 0.064 0.000 0.870 511 D CB 1.132 41.972 40.800 0.066 0.000 1.076 511 D HN 1.070 nan 8.370 nan 0.000 0.483 512 V N 2.206 122.144 119.914 0.041 0.000 3.013 512 V HA 0.096 4.216 4.120 -0.001 0.000 0.238 512 V C 1.415 177.504 176.094 -0.008 0.000 1.161 512 V CA 0.618 62.919 62.300 0.003 0.000 1.170 512 V CB -0.445 31.359 31.823 -0.032 0.000 0.917 512 V HN 0.480 nan 8.190 nan 0.000 0.478 513 N N 1.382 120.074 118.700 -0.014 0.000 2.336 513 N HA 0.294 5.034 4.740 -0.001 0.000 0.189 513 N C 1.481 177.147 175.510 0.261 0.000 1.113 513 N CA 0.857 53.926 53.050 0.032 0.000 0.858 513 N CB 0.463 38.861 38.487 -0.148 0.000 0.970 513 N HN 0.974 nan 8.380 nan 0.000 0.471 514 G N 0.987 109.912 108.800 0.209 0.000 2.159 514 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.256 514 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.256 514 G C 0.085 175.197 174.900 0.353 0.000 0.977 514 G CA 0.428 45.688 45.100 0.268 0.000 0.652 514 G HN 0.660 nan 8.290 nan 0.000 0.531 515 D N 0.198 120.756 120.400 0.264 0.000 2.352 515 D HA 0.267 4.907 4.640 -0.001 0.000 0.236 515 D C 1.421 177.806 176.300 0.142 0.000 1.148 515 D CA 0.109 54.225 54.000 0.194 0.000 0.844 515 D CB -0.039 40.782 40.800 0.035 0.000 0.933 515 D HN 0.317 nan 8.370 nan 0.000 0.507 516 K N -0.782 119.702 120.400 0.141 0.000 3.529 516 K HA -0.195 4.125 4.320 -0.001 0.000 0.313 516 K C -0.331 176.327 176.600 0.096 0.000 1.316 516 K CA 0.573 56.923 56.287 0.105 0.000 0.988 516 K CB -1.974 30.584 32.500 0.096 0.000 1.252 516 K HN 0.415 nan 8.250 nan 0.000 0.438 517 L N 2.175 123.462 121.223 0.106 0.000 2.313 517 L HA 0.187 4.527 4.340 -0.001 0.000 0.273 517 L C 0.846 177.795 176.870 0.132 0.000 1.028 517 L CA -0.373 54.535 54.840 0.113 0.000 0.871 517 L CB 1.645 43.773 42.059 0.116 0.000 1.242 517 L HN -0.030 nan 8.230 nan 0.000 0.434 518 T N 1.695 116.316 114.554 0.112 0.000 2.898 518 T HA -0.026 4.324 4.350 -0.001 0.000 0.331 518 T C -0.295 174.484 174.700 0.132 0.000 1.085 518 T CA 0.354 62.517 62.100 0.105 0.000 1.129 518 T CB 0.126 69.043 68.868 0.082 0.000 1.054 518 T HN 0.471 nan 8.240 nan 0.000 0.540 519 D N 1.382 121.849 120.400 0.111 0.000 2.575 519 D HA 0.561 5.201 4.640 -0.001 0.000 0.236 519 D C -0.313 176.023 176.300 0.061 0.000 1.075 519 D CA -0.327 53.728 54.000 0.091 0.000 0.860 519 D CB 1.865 42.712 40.800 0.077 0.000 1.475 519 D HN 0.500 nan 8.370 nan 0.000 0.474 520 V N -1.697 118.257 119.914 0.066 0.000 3.046 520 V HA 0.854 4.974 4.120 -0.001 0.000 0.316 520 V C -0.402 175.755 176.094 0.104 0.000 1.104 520 V CA -0.765 61.575 62.300 0.068 0.000 1.006 520 V CB 1.852 33.702 31.823 0.045 0.000 1.058 520 V HN 0.273 nan 8.190 nan 0.000 0.440 521 V N 2.409 122.374 119.914 0.085 0.000 2.680 521 V HA 0.637 4.756 4.120 -0.001 0.000 0.309 521 V C -0.412 175.741 176.094 0.098 0.000 1.052 521 V CA -0.412 61.958 62.300 0.116 0.000 0.908 521 V CB 1.715 33.582 31.823 0.074 0.000 1.001 521 V HN 0.822 nan 8.190 nan 0.000 0.431 522 I N 2.396 123.074 120.570 0.180 0.000 2.534 522 I HA 0.572 4.742 4.170 -0.001 0.000 0.288 522 I C 0.466 176.711 176.117 0.214 0.000 1.077 522 I CA -0.432 60.948 61.300 0.134 0.000 1.051 522 I CB 2.205 40.270 38.000 0.107 0.000 1.234 522 I HN 0.756 nan 8.210 nan 0.000 0.425 523 G N 3.825 112.661 108.800 0.061 0.000 2.451 523 G HA2 0.711 4.671 3.960 -0.001 0.000 0.303 523 G HA3 0.711 4.671 3.960 -0.001 0.000 0.303 523 G C -0.518 174.471 174.900 0.149 0.000 1.166 523 G CA -0.413 44.708 45.100 0.035 0.000 0.884 523 G HN 0.809 nan 8.290 nan 0.000 0.514 524 A N 2.090 125.010 122.820 0.166 0.000 3.200 524 A HA 0.602 4.922 4.320 -0.001 0.000 0.274 524 A C -2.293 175.414 177.584 0.206 0.000 1.220 524 A CA -0.639 51.564 52.037 0.276 0.000 0.904 524 A CB 1.313 20.670 19.000 0.595 0.000 1.415 524 A HN 0.338 nan 8.150 nan 0.000 0.630 525 P HA 0.045 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 0.316 32.135 31.700 0.199 0.000 0.884 526 G N -1.537 107.391 108.800 0.214 0.000 3.159 526 G HA2 0.005 3.965 3.960 -0.001 0.000 0.232 526 G HA3 0.005 3.965 3.960 -0.001 0.000 0.232 526 G C 0.537 175.617 174.900 0.299 0.000 1.116 526 G CA -0.071 45.167 45.100 0.230 0.000 0.767 526 G HN 0.097 nan 8.290 nan 0.000 0.547 527 E N 1.156 121.515 120.200 0.264 0.000 2.447 527 E HA 0.123 4.472 4.350 -0.001 0.000 0.259 527 E C 0.798 177.441 176.600 0.070 0.000 1.196 527 E CA 0.078 56.574 56.400 0.160 0.000 0.995 527 E CB 0.482 30.215 29.700 0.055 0.000 0.974 527 E HN 0.506 nan 8.360 nan 0.000 0.465 528 E N 0.067 120.052 120.200 -0.357 0.000 3.675 528 E HA -0.292 4.058 4.350 -0.001 0.000 0.252 528 E C -0.065 176.684 176.600 0.248 0.000 1.502 528 E CA 1.557 57.903 56.400 -0.089 0.000 2.293 528 E CB -0.615 29.053 29.700 -0.053 0.000 2.078 528 E HN 0.698 nan 8.360 nan 0.000 0.461 529 E N 2.298 122.599 120.200 0.169 0.000 1.972 529 E HA 0.102 4.452 4.350 -0.001 0.000 0.292 529 E C 0.286 176.994 176.600 0.180 0.000 1.193 529 E CA 0.517 57.023 56.400 0.177 0.000 1.228 529 E CB 0.111 29.884 29.700 0.122 0.000 1.167 529 E HN 0.571 nan 8.360 nan 0.000 0.479 530 N N 1.297 120.134 118.700 0.228 0.000 2.946 530 N HA -0.214 4.526 4.740 -0.001 0.000 0.228 530 N C -0.440 175.212 175.510 0.237 0.000 0.873 530 N CA 1.153 54.344 53.050 0.234 0.000 1.029 530 N CB -0.565 38.056 38.487 0.222 0.000 1.047 530 N HN 0.400 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 0.340 4.680 4.340 -0.001 0.000 0.273 531 R C 1.254 177.683 176.300 0.214 0.000 1.033 531 R CA 0.782 56.972 56.100 0.150 0.000 1.182 531 R CB -0.646 29.699 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 -0.001 0.000 0.292 532 G HA3 0.577 4.537 3.960 -0.001 0.000 0.292 532 G C -1.062 174.094 174.900 0.427 0.000 1.237 532 G CA 0.119 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 -1.736 121.355 122.820 0.451 0.000 2.583 533 A HA 0.677 4.996 4.320 -0.001 0.000 0.292 533 A C -1.414 176.195 177.584 0.042 0.000 1.045 533 A CA -0.375 51.799 52.037 0.229 0.000 0.672 533 A CB 1.273 20.274 19.000 0.002 0.000 1.283 533 A HN 1.517 nan 8.150 nan 0.000 0.419 534 V N 0.186 120.015 119.914 -0.142 0.000 3.087 534 V HA 0.704 4.823 4.120 -0.001 0.000 0.306 534 V C -1.572 174.307 176.094 -0.359 0.000 1.187 534 V CA -0.621 61.598 62.300 -0.136 0.000 0.999 534 V CB 2.066 33.886 31.823 -0.005 0.000 1.049 534 V HN 0.908 nan 8.190 nan 0.000 0.431 535 Y N 2.134 122.540 120.300 0.178 0.000 2.545 535 Y HA 0.816 5.366 4.550 -0.001 0.000 0.348 535 Y C -0.666 175.384 175.900 0.249 0.000 1.002 535 Y CA -0.903 57.299 58.100 0.169 0.000 1.039 535 Y CB 2.126 40.788 38.460 0.337 0.000 1.271 535 Y HN 0.516 nan 8.280 nan 0.000 0.467 536 L N 2.842 124.243 121.223 0.295 0.000 2.376 536 L HA 0.702 5.042 4.340 -0.001 0.000 0.275 536 L C -1.967 174.905 176.870 0.003 0.000 0.987 536 L CA -0.612 54.338 54.840 0.183 0.000 0.828 536 L CB 0.506 42.593 42.059 0.046 0.000 1.249 536 L HN 0.453 nan 8.230 nan 0.000 0.409 537 F N 2.787 122.668 119.950 -0.114 0.000 2.618 537 F HA 0.675 5.202 4.527 -0.001 0.000 0.332 537 F C 0.124 175.684 175.800 -0.401 0.000 1.061 537 F CA -0.685 57.223 58.000 -0.154 0.000 0.974 537 F CB 1.552 40.577 39.000 0.042 0.000 1.310 537 F HN 0.395 nan 8.300 nan 0.000 0.491 538 H N -0.879 118.372 119.070 0.303 0.000 2.821 538 H HA 0.504 5.060 4.556 -0.001 0.000 0.373 538 H C 0.049 175.481 175.328 0.174 0.000 1.165 538 H CA -0.961 55.204 56.048 0.195 0.000 1.154 538 H CB 1.623 31.479 29.762 0.157 0.000 1.765 538 H HN 0.774 nan 8.280 nan 0.000 0.549 539 G N 0.051 109.002 108.800 0.252 0.000 2.588 539 G HA2 0.385 4.345 3.960 -0.001 0.000 0.278 539 G HA3 0.385 4.345 3.960 -0.001 0.000 0.278 539 G C 0.394 175.388 174.900 0.157 0.000 1.307 539 G CA -0.024 45.180 45.100 0.173 0.000 1.016 539 G HN 0.362 nan 8.290 nan 0.000 0.503 540 V N -1.178 118.806 119.914 0.118 0.000 4.491 540 V HA 0.419 4.538 4.120 -0.001 0.000 0.164 540 V C -0.052 176.092 176.094 0.084 0.000 1.146 540 V CA -0.048 62.310 62.300 0.097 0.000 1.322 540 V CB -0.205 31.672 31.823 0.089 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 0.078 0.000 2.568 541 L HA 0.649 4.988 4.340 -0.001 0.000 0.262 541 L C 0.352 177.266 176.870 0.073 0.000 0.980 541 L CA 0.393 55.278 54.840 0.074 0.000 0.882 541 L CB 1.139 43.241 42.059 0.070 0.000 1.198 541 L HN 0.689 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 -0.001 0.000 0.265 542 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.265 542 G C -2.659 172.282 174.900 0.067 0.000 1.150 542 G CA -0.391 44.752 45.100 0.072 0.000 0.959 542 G HN 0.410 nan 8.290 nan 0.000 0.556 543 P HA 0.460 nan 4.420 nan 0.000 0.273 543 P C -0.326 177.007 177.300 0.055 0.000 1.428 543 P CA 1.056 64.185 63.100 0.048 0.000 0.995 543 P CB 0.349 32.072 31.700 0.039 0.000 1.286 544 S N 3.369 119.104 115.700 0.058 0.000 2.712 544 S HA 0.644 5.114 4.470 -0.001 0.000 0.279 544 S C -0.765 173.885 174.600 0.082 0.000 1.025 544 S CA -0.946 57.294 58.200 0.066 0.000 0.861 544 S CB 0.273 63.516 63.200 0.071 0.000 1.091 544 S HN 0.437 nan 8.310 nan 0.000 0.457 545 I N -1.718 118.909 120.570 0.095 0.000 3.279 545 I HA 0.882 5.051 4.170 -0.001 0.000 0.315 545 I C -0.688 175.536 176.117 0.178 0.000 1.187 545 I CA -0.864 60.521 61.300 0.142 0.000 0.953 545 I CB 1.957 40.031 38.000 0.124 0.000 1.279 545 I HN 0.691 nan 8.210 nan 0.000 0.465 546 S N 2.498 118.358 115.700 0.266 0.000 2.434 546 S HA 0.486 4.956 4.470 -0.001 0.000 0.318 546 S C -1.768 173.040 174.600 0.347 0.000 1.062 546 S CA -1.493 56.856 58.200 0.248 0.000 1.116 546 S CB 0.528 63.868 63.200 0.234 0.000 0.977 546 S HN 0.556 nan 8.310 nan 0.000 0.480 547 P HA -0.096 nan 4.420 nan 0.000 0.217 547 P C 0.070 177.511 177.300 0.236 0.000 1.158 547 P CA 0.983 64.259 63.100 0.293 0.000 0.887 547 P CB 0.011 31.777 31.700 0.109 0.000 0.792 548 S N 1.052 116.788 115.700 0.059 0.000 2.429 548 S HA 0.033 4.503 4.470 -0.001 0.000 0.292 548 S C 0.537 174.988 174.600 -0.248 0.000 1.183 548 S CA -0.318 57.816 58.200 -0.110 0.000 1.088 548 S CB -0.850 62.288 63.200 -0.103 0.000 1.018 548 S HN 0.299 nan 8.310 nan 0.000 0.511 549 H N 1.503 120.291 119.070 -0.470 0.000 2.679 549 H HA 0.267 4.823 4.556 -0.001 0.000 0.369 549 H C 1.007 176.215 175.328 -0.199 0.000 1.178 549 H CA -0.068 55.573 56.048 -0.677 0.000 1.419 549 H CB 0.471 29.673 29.762 -0.932 0.000 1.458 549 H HN 0.535 nan 8.280 nan 0.000 0.605 550 S N 0.551 116.264 115.700 0.023 0.000 2.483 550 S HA 0.034 4.504 4.470 -0.001 0.000 0.221 550 S C 0.724 175.433 174.600 0.182 0.000 1.030 550 S CA -0.053 58.241 58.200 0.157 0.000 0.925 550 S CB 0.395 63.908 63.200 0.522 0.000 0.795 550 S HN 0.743 nan 8.310 nan 0.000 0.511 551 Q N 0.217 120.160 119.800 0.238 0.000 2.456 551 Q HA 0.570 4.910 4.340 -0.001 0.000 0.283 551 Q C -1.304 174.831 176.000 0.224 0.000 1.084 551 Q CA -0.818 55.113 55.803 0.213 0.000 0.801 551 Q CB 1.819 30.651 28.738 0.157 0.000 1.434 551 Q HN 0.300 nan 8.270 nan 0.000 0.419 552 R N 3.817 124.380 120.500 0.105 0.000 2.627 552 R HA 0.318 4.658 4.340 -0.001 0.000 0.251 552 R C -1.173 175.067 176.300 -0.100 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 0.637 nan 8.270 nan 0.000 0.724 553 I N 2.599 123.140 120.570 -0.048 0.000 2.680 553 I HA 0.043 4.212 4.170 -0.001 0.000 0.286 553 I C 0.809 176.921 176.117 -0.010 0.000 1.144 553 I CA 0.296 61.589 61.300 -0.012 0.000 1.370 553 I CB 0.703 38.730 38.000 0.044 0.000 1.420 553 I HN 0.420 nan 8.210 nan 0.000 0.540 554 A N 4.983 127.769 122.820 -0.056 0.000 2.452 554 A HA 0.694 5.014 4.320 -0.001 0.000 0.285 554 A C 1.316 178.799 177.584 -0.168 0.000 1.209 554 A CA -0.101 51.911 52.037 -0.042 0.000 0.940 554 A CB 0.221 19.178 19.000 -0.071 0.000 1.440 554 A HN 0.720 nan 8.150 nan 0.000 0.480 555 G N -0.609 108.095 108.800 -0.161 0.000 2.848 555 G HA2 0.181 4.141 3.960 -0.001 0.000 0.208 555 G HA3 0.181 4.141 3.960 -0.001 0.000 0.208 555 G C 0.663 175.456 174.900 -0.178 0.000 1.152 555 G CA 0.976 45.911 45.100 -0.275 0.000 0.789 555 G HN 0.527 nan 8.290 nan 0.000 0.531 556 S N 0.403 116.028 115.700 -0.124 0.000 2.605 556 S HA 0.108 4.578 4.470 -0.001 0.000 0.217 556 S C 0.975 175.522 174.600 -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 63.403 63.200 -0.058 0.000 0.780 556 S HN 0.236 nan 8.310 nan 0.000 0.507 557 Q N 1.435 121.160 119.800 -0.124 0.000 3.150 557 Q HA 0.316 4.656 4.340 -0.001 0.000 0.297 557 Q C 0.231 176.170 176.000 -0.103 0.000 1.382 557 Q CA -0.172 55.569 55.803 -0.104 0.000 1.059 557 Q CB -0.534 28.135 28.738 -0.115 0.000 1.559 557 Q HN 0.470 nan 8.270 nan 0.000 0.548 558 L N 0.368 121.542 121.223 -0.082 0.000 3.983 558 L HA -0.267 4.073 4.340 -0.001 0.000 0.453 558 L C 0.402 177.216 176.870 -0.092 0.000 1.119 558 L CA 0.561 55.357 54.840 -0.074 0.000 0.924 558 L CB -1.509 40.516 42.059 -0.057 0.000 1.831 558 L HN 0.290 nan 8.230 nan 0.000 1.001 559 S N -0.759 114.865 115.700 -0.127 0.000 2.503 559 S HA 0.205 4.675 4.470 -0.001 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 64.136 63.200 -0.224 0.000 1.207 559 S HN 0.379 nan 8.310 nan 0.000 0.538 560 S N 5.098 120.753 115.700 -0.076 0.000 2.380 560 S HA -0.120 4.349 4.470 -0.001 0.000 0.229 560 S C 0.712 175.281 174.600 -0.052 0.000 1.050 560 S CA 1.344 59.510 58.200 -0.057 0.000 1.100 560 S CB -0.199 62.972 63.200 -0.048 0.000 0.984 560 S HN 0.862 nan 8.310 nan 0.000 0.434 561 R N -0.145 120.323 120.500 -0.054 0.000 3.033 561 R HA 0.368 4.707 4.340 -0.001 0.000 0.236 561 R C -1.746 174.523 176.300 -0.052 0.000 1.774 561 R CA -0.007 56.066 56.100 -0.045 0.000 1.401 561 R CB 0.529 30.810 30.300 -0.032 0.000 1.539 561 R HN 0.178 nan 8.270 nan 0.000 0.618 562 L N 1.832 123.016 121.223 -0.064 0.000 2.362 562 L HA 0.355 4.695 4.340 -0.001 0.000 0.275 562 L C 1.086 177.919 176.870 -0.062 0.000 0.998 562 L CA -0.483 54.315 54.840 -0.070 0.000 0.820 562 L CB 2.478 44.502 42.059 -0.058 0.000 1.270 562 L HN 0.504 nan 8.230 nan 0.000 0.415 563 Q N 2.820 122.550 119.800 -0.117 0.000 1.813 563 Q HA -0.087 4.253 4.340 -0.001 0.000 0.261 563 Q C -0.681 175.347 176.000 0.045 0.000 0.975 563 Q CA 1.639 57.404 55.803 -0.064 0.000 0.881 563 Q CB 0.060 28.712 28.738 -0.142 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 -0.001 0.000 0.338 564 Y C -0.866 175.167 175.900 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 2.026 122.064 119.950 0.146 0.000 2.563 565 F HA 0.819 5.346 4.527 -0.001 0.000 0.316 565 F C 0.530 176.395 175.800 0.107 0.000 1.076 565 F CA -0.542 57.515 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 0.860 nan 8.300 nan 0.000 0.462 566 G N 2.798 111.196 108.800 -0.670 0.000 2.179 566 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.220 566 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.220 566 G C 0.568 175.341 174.900 -0.213 0.000 0.990 566 G CA 0.379 45.092 45.100 -0.644 0.000 0.646 566 G HN 0.806 nan 8.290 nan 0.000 0.517 567 Q N 0.023 119.781 119.800 -0.070 0.000 2.065 567 Q HA 0.134 4.473 4.340 -0.001 0.000 0.213 567 Q C 1.682 177.657 176.000 -0.042 0.000 1.012 567 Q CA 2.281 58.083 55.803 -0.003 0.000 0.876 567 Q CB -0.171 28.611 28.738 0.072 0.000 0.954 567 Q HN 1.410 nan 8.270 nan 0.000 0.413 568 A N -0.616 122.172 122.820 -0.053 0.000 2.485 568 A HA 0.779 5.098 4.320 -0.001 0.000 0.292 568 A C -1.587 175.959 177.584 -0.062 0.000 1.147 568 A CA -0.792 51.213 52.037 -0.053 0.000 0.750 568 A CB 1.496 20.470 19.000 -0.044 0.000 1.331 568 A HN 0.296 nan 8.150 nan 0.000 0.419 569 L N -3.207 117.991 121.223 -0.042 0.000 2.781 569 L HA 0.748 5.088 4.340 -0.001 0.000 0.256 569 L C -0.876 175.991 176.870 -0.004 0.000 0.930 569 L CA -0.337 54.487 54.840 -0.026 0.000 0.967 569 L CB 1.148 43.179 42.059 -0.047 0.000 1.551 569 L HN 0.470 nan 8.230 nan 0.000 0.445 570 S N 0.282 115.991 115.700 0.015 0.000 2.575 570 S HA 0.975 5.445 4.470 -0.001 0.000 0.278 570 S C -0.249 174.372 174.600 0.035 0.000 1.139 570 S CA -0.128 58.087 58.200 0.025 0.000 0.954 570 S CB 1.925 65.144 63.200 0.032 0.000 1.054 570 S HN 1.294 nan 8.310 nan 0.000 0.483 571 G N -0.157 108.662 108.800 0.032 0.000 2.766 571 G HA2 0.698 4.658 3.960 -0.001 0.000 0.288 571 G HA3 0.698 4.658 3.960 -0.001 0.000 0.288 571 G C 0.349 175.265 174.900 0.026 0.000 1.408 571 G CA -0.095 45.025 45.100 0.033 0.000 0.852 571 G HN 1.473 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 -0.101 3.858 3.960 -0.001 0.000 0.181 572 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.181 572 G C 0.048 174.952 174.900 0.008 0.000 1.000 572 G CA 0.163 45.273 45.100 0.016 0.000 0.693 572 G HN 0.732 nan 8.290 nan 0.000 0.480 573 Q N 0.985 120.790 119.800 0.009 0.000 2.282 573 Q HA 0.551 4.891 4.340 -0.001 0.000 0.260 573 Q C -0.880 175.116 176.000 -0.007 0.000 0.964 573 Q CA -0.571 55.232 55.803 0.000 0.000 0.880 573 Q CB 2.043 30.784 28.738 0.006 0.000 1.286 573 Q HN 0.253 nan 8.270 nan 0.000 0.445 574 D N 2.312 122.700 120.400 -0.020 0.000 2.352 574 D HA 0.128 4.768 4.640 -0.001 0.000 0.245 574 D C -0.063 176.209 176.300 -0.046 0.000 1.224 574 D CA -0.277 53.701 54.000 -0.038 0.000 0.879 574 D CB 0.553 41.330 40.800 -0.038 0.000 1.057 574 D HN 0.497 nan 8.370 nan 0.000 0.491 575 L N 1.951 123.136 121.223 -0.064 0.000 2.577 575 L HA 0.291 4.630 4.340 -0.001 0.000 0.225 575 L C 1.887 178.672 176.870 -0.142 0.000 1.053 575 L CA 0.595 55.398 54.840 -0.061 0.000 0.866 575 L CB -1.114 40.943 42.059 -0.003 0.000 1.132 575 L HN 0.339 nan 8.230 nan 0.000 0.486 576 T N -3.744 110.639 114.554 -0.284 0.000 3.088 576 T HA 0.064 4.414 4.350 -0.001 0.000 0.259 576 T C 1.107 175.592 174.700 -0.358 0.000 1.122 576 T CA 0.828 62.543 62.100 -0.642 0.000 1.095 576 T CB -0.363 67.884 68.868 -1.036 0.000 0.930 576 T HN 0.546 nan 8.240 nan 0.000 0.508 577 Q N 0.359 120.045 119.800 -0.190 0.000 2.324 577 Q HA -0.190 4.150 4.340 -0.001 0.000 0.200 577 Q C -0.758 175.192 176.000 -0.084 0.000 0.645 577 Q CA 1.150 56.893 55.803 -0.100 0.000 1.377 577 Q CB -1.930 26.774 28.738 -0.057 0.000 1.486 577 Q HN 0.936 nan 8.270 nan 0.000 0.796 578 D N -0.460 119.867 120.400 -0.121 0.000 2.414 578 D HA 0.264 4.903 4.640 -0.001 0.000 0.242 578 D C 1.387 177.647 176.300 -0.067 0.000 1.129 578 D CA 0.605 54.559 54.000 -0.077 0.000 0.885 578 D CB 0.486 41.239 40.800 -0.079 0.000 1.198 578 D HN 0.107 nan 8.370 nan 0.000 0.437 579 G N 1.522 110.298 108.800 -0.041 0.000 2.628 579 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 579 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 579 G C 0.578 175.458 174.900 -0.033 0.000 1.240 579 G CA 0.751 45.831 45.100 -0.033 0.000 0.792 579 G HN 0.529 nan 8.290 nan 0.000 0.593 580 L N 0.875 122.082 121.223 -0.028 0.000 2.476 580 L HA 0.374 4.713 4.340 -0.001 0.000 0.264 580 L C 1.209 178.064 176.870 -0.025 0.000 1.224 580 L CA -0.633 54.195 54.840 -0.019 0.000 0.821 580 L CB 0.948 43.001 42.059 -0.011 0.000 1.101 580 L HN 0.414 nan 8.230 nan 0.000 0.488 581 V N -0.033 119.873 119.914 -0.014 0.000 3.524 581 V HA 0.197 4.317 4.120 -0.001 0.000 0.303 581 V C -0.160 175.924 176.094 -0.015 0.000 1.130 581 V CA -0.373 61.919 62.300 -0.012 0.000 1.225 581 V CB 0.141 31.965 31.823 0.001 0.000 1.056 581 V HN 0.794 nan 8.190 nan 0.000 0.495 582 D N 0.436 120.830 120.400 -0.009 0.000 2.523 582 D HA 0.729 5.368 4.640 -0.001 0.000 0.236 582 D C -1.118 175.194 176.300 0.020 0.000 1.094 582 D CA -0.354 53.644 54.000 -0.002 0.000 0.942 582 D CB 2.148 42.938 40.800 -0.016 0.000 1.447 582 D HN 0.708 nan 8.370 nan 0.000 0.479 583 L N 0.537 121.779 121.223 0.033 0.000 2.362 583 L HA 0.787 5.126 4.340 -0.001 0.000 0.271 583 L C -1.440 175.470 176.870 0.066 0.000 1.002 583 L CA -0.650 54.218 54.840 0.046 0.000 0.818 583 L CB 1.752 43.839 42.059 0.046 0.000 1.298 583 L HN 0.458 nan 8.230 nan 0.000 0.420 584 A N 4.633 127.494 122.820 0.069 0.000 2.311 584 A HA 0.763 5.083 4.320 -0.001 0.000 0.306 584 A C -1.508 176.116 177.584 0.066 0.000 1.189 584 A CA -0.493 51.597 52.037 0.090 0.000 0.791 584 A CB 1.251 20.312 19.000 0.102 0.000 1.172 584 A HN 0.496 nan 8.150 nan 0.000 0.481 585 V N 2.623 122.587 119.914 0.083 0.000 2.407 585 V HA 0.612 4.732 4.120 -0.001 0.000 0.291 585 V C 0.898 177.034 176.094 0.070 0.000 1.018 585 V CA -0.288 62.030 62.300 0.030 0.000 0.842 585 V CB 1.550 33.368 31.823 -0.007 0.000 0.996 585 V HN 1.099 nan 8.190 nan 0.000 0.426 586 G N 3.273 112.084 108.800 0.019 0.000 2.444 586 G HA2 0.680 4.639 3.960 -0.001 0.000 0.268 586 G HA3 0.680 4.639 3.960 -0.001 0.000 0.268 586 G C -0.253 174.695 174.900 0.080 0.000 1.203 586 G CA 0.342 45.469 45.100 0.046 0.000 0.835 586 G HN 1.159 nan 8.290 nan 0.000 0.543 587 A N 2.053 124.960 122.820 0.146 0.000 2.566 587 A HA 0.759 5.079 4.320 -0.001 0.000 0.292 587 A C 0.123 177.782 177.584 0.124 0.000 1.112 587 A CA -0.919 51.227 52.037 0.181 0.000 0.707 587 A CB 1.164 20.342 19.000 0.295 0.000 1.302 587 A HN 0.778 nan 8.150 nan 0.000 0.409 588 R N 0.287 120.801 120.500 0.025 0.000 2.457 588 R HA 0.366 4.706 4.340 -0.001 0.000 0.335 588 R C 1.231 177.555 176.300 0.041 0.000 1.003 588 R CA 1.875 57.957 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 1.921 nan 8.270 nan 0.000 0.428 589 G N 2.807 111.704 108.800 0.163 0.000 2.490 589 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.214 589 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.214 589 G C -0.296 174.773 174.900 0.282 0.000 1.151 589 G CA 0.314 45.519 45.100 0.174 0.000 0.684 589 G HN 0.681 nan 8.290 nan 0.000 0.518 590 Q N -0.673 119.290 119.800 0.272 0.000 2.544 590 Q HA 0.801 5.141 4.340 -0.001 0.000 0.291 590 Q C -1.591 174.606 176.000 0.328 0.000 1.068 590 Q CA -0.809 55.189 55.803 0.325 0.000 0.785 590 Q CB 2.871 31.702 28.738 0.155 0.000 1.481 590 Q HN 1.024 nan 8.270 nan 0.000 0.430 591 V N 1.836 121.968 119.914 0.363 0.000 2.638 591 V HA 0.539 4.659 4.120 -0.001 0.000 0.306 591 V C -1.685 174.562 176.094 0.255 0.000 1.052 591 V CA -0.656 61.811 62.300 0.279 0.000 0.885 591 V CB 1.830 33.796 31.823 0.239 0.000 0.999 591 V HN 0.761 nan 8.190 nan 0.000 0.424 592 L N 6.289 127.634 121.223 0.204 0.000 2.334 592 L HA 0.657 4.997 4.340 -0.001 0.000 0.270 592 L C -0.451 176.504 176.870 0.141 0.000 1.018 592 L CA -0.289 54.636 54.840 0.140 0.000 0.811 592 L CB 1.789 43.926 42.059 0.132 0.000 1.271 592 L HN 0.538 nan 8.230 nan 0.000 0.443 593 L N 2.822 124.100 121.223 0.093 0.000 2.349 593 L HA 0.479 4.819 4.340 -0.001 0.000 0.278 593 L C -1.364 175.545 176.870 0.065 0.000 0.996 593 L CA -0.598 54.298 54.840 0.094 0.000 0.825 593 L CB 1.619 43.744 42.059 0.110 0.000 1.243 593 L HN 0.302 nan 8.230 nan 0.000 0.412 594 L N 4.677 125.939 121.223 0.066 0.000 2.280 594 L HA 0.482 4.821 4.340 -0.001 0.000 0.287 594 L C 0.230 177.118 176.870 0.030 0.000 1.023 594 L CA -0.113 54.756 54.840 0.050 0.000 0.819 594 L CB 1.340 43.439 42.059 0.066 0.000 1.212 594 L HN 0.457 nan 8.230 nan 0.000 0.420 595 R N 0.671 121.180 120.500 0.014 0.000 2.528 595 R HA 0.583 4.923 4.340 -0.001 0.000 0.271 595 R C -0.132 176.170 176.300 0.003 0.000 1.056 595 R CA -0.611 55.486 56.100 -0.005 0.000 1.117 595 R CB 0.672 30.958 30.300 -0.024 0.000 1.085 595 R HN 0.629 nan 8.270 nan 0.000 0.530 596 T N 0.270 114.821 114.554 -0.005 0.000 2.762 596 T HA 0.289 4.639 4.350 -0.001 0.000 0.303 596 T C 0.229 174.930 174.700 0.001 0.000 0.977 596 T CA -1.089 61.008 62.100 -0.006 0.000 0.961 596 T CB 0.707 69.566 68.868 -0.014 0.000 0.944 596 T HN 0.210 nan 8.240 nan 0.000 0.481 597 R N 3.648 124.156 120.500 0.013 0.000 2.489 597 R HA 0.233 4.573 4.340 -0.001 0.000 0.287 597 R C -2.642 173.680 176.300 0.037 0.000 1.053 597 R CA -2.434 53.684 56.100 0.029 0.000 1.036 597 R CB -0.294 30.035 30.300 0.047 0.000 0.966 597 R HN 0.474 nan 8.270 nan 0.000 0.432 598 P HA -0.067 nan 4.420 nan 0.000 0.260 598 P C -0.242 177.110 177.300 0.087 0.000 1.185 598 P CA 0.141 63.268 63.100 0.044 0.000 0.763 598 P CB 0.367 32.083 31.700 0.025 0.000 0.776 599 V N 3.131 123.122 119.914 0.129 0.000 2.294 599 V HA 0.493 4.613 4.120 -0.001 0.000 0.272 599 V C -0.310 175.925 176.094 0.234 0.000 1.027 599 V CA -0.998 61.450 62.300 0.246 0.000 0.823 599 V CB 0.155 32.207 31.823 0.382 0.000 1.030 599 V HN 0.188 nan 8.190 nan 0.000 0.457 600 L N 3.778 125.089 121.223 0.147 0.000 2.344 600 L HA 1.020 5.360 4.340 -0.001 0.000 0.272 600 L C -0.335 176.654 176.870 0.199 0.000 1.035 600 L CA -1.078 53.749 54.840 -0.020 0.000 0.807 600 L CB 0.858 42.867 42.059 -0.084 0.000 1.237 600 L HN 0.868 nan 8.230 nan 0.000 0.442 601 W N 0.974 122.307 121.300 0.055 0.000 2.975 601 W HA 0.898 5.558 4.660 -0.001 0.000 0.342 601 W C -1.561 174.973 176.519 0.025 0.000 1.168 601 W CA -1.438 55.950 57.345 0.071 0.000 1.141 601 W CB 1.095 30.603 29.460 0.080 0.000 1.445 601 W HN 0.537 nan 8.180 nan 0.000 0.560 602 V N 1.571 121.634 119.914 0.248 0.000 2.914 602 V HA 0.942 5.061 4.120 -0.001 0.000 0.314 602 V C -0.267 175.791 176.094 -0.060 0.000 1.084 602 V CA -0.621 61.664 62.300 -0.025 0.000 0.963 602 V CB 1.781 33.604 31.823 0.000 0.000 1.025 602 V HN 1.088 nan 8.190 nan 0.000 0.432 603 G N 2.648 111.170 108.800 -0.464 0.000 2.400 603 G HA2 0.657 4.617 3.960 -0.001 0.000 0.333 603 G HA3 0.657 4.617 3.960 -0.001 0.000 0.333 603 G C -1.374 173.387 174.900 -0.232 0.000 1.143 603 G CA -0.399 44.459 45.100 -0.403 0.000 0.914 603 G HN 1.140 nan 8.290 nan 0.000 0.480 604 V N 0.709 120.522 119.914 -0.167 0.000 2.962 604 V HA 0.870 4.990 4.120 -0.001 0.000 0.313 604 V C -0.433 175.596 176.094 -0.107 0.000 1.099 604 V CA -0.428 61.787 62.300 -0.141 0.000 0.971 604 V CB 2.452 34.058 31.823 -0.362 0.000 1.028 604 V HN 1.294 nan 8.190 nan 0.000 0.430 605 S N 6.222 121.888 115.700 -0.056 0.000 2.538 605 S HA 0.839 5.309 4.470 -0.001 0.000 0.288 605 S C -0.920 173.633 174.600 -0.078 0.000 1.108 605 S CA -0.809 57.349 58.200 -0.070 0.000 0.971 605 S CB 1.755 64.911 63.200 -0.073 0.000 1.041 605 S HN 0.738 nan 8.310 nan 0.000 0.483 606 M N 2.262 121.810 119.600 -0.087 0.000 2.395 606 M HA 0.541 5.021 4.480 -0.001 0.000 0.307 606 M C -0.814 175.369 176.300 -0.194 0.000 1.091 606 M CA -0.261 54.957 55.300 -0.137 0.000 0.919 606 M CB 2.535 35.068 32.600 -0.112 0.000 1.662 606 M HN 0.922 nan 8.290 nan 0.000 0.440 607 Q N 1.602 121.214 119.800 -0.313 0.000 2.435 607 Q HA 0.546 4.885 4.340 -0.001 0.000 0.282 607 Q C -2.059 173.675 176.000 -0.443 0.000 1.020 607 Q CA -0.585 55.048 55.803 -0.283 0.000 0.820 607 Q CB 2.431 31.101 28.738 -0.114 0.000 1.436 607 Q HN 0.643 nan 8.270 nan 0.000 0.395 608 F N 3.402 123.371 119.950 0.031 0.000 2.366 608 F HA 0.386 4.912 4.527 -0.001 0.000 0.366 608 F C 1.127 176.931 175.800 0.008 0.000 1.096 608 F CA -0.558 57.456 58.000 0.023 0.000 1.060 608 F CB 0.586 39.590 39.000 0.007 0.000 1.282 608 F HN 0.632 nan 8.300 nan 0.000 0.450 609 I N 2.573 123.229 120.570 0.143 0.000 2.093 609 I HA -0.240 3.930 4.170 -0.001 0.000 0.239 609 I C -1.089 175.075 176.117 0.078 0.000 1.026 609 I CA 1.197 62.544 61.300 0.079 0.000 1.295 609 I CB -1.012 37.020 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 63.427 63.100 0.043 0.000 0.880 610 P CB 0.902 32.608 31.700 0.011 0.000 0.971 611 A N 4.843 127.692 122.820 0.050 0.000 1.863 611 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 611 A C 1.074 178.668 177.584 0.017 0.000 1.233 611 A CA 1.792 53.865 52.037 0.060 0.000 0.655 611 A CB -0.717 18.307 19.000 0.041 0.000 0.839 611 A HN 0.616 nan 8.150 nan 0.000 0.454 612 E N -2.043 118.139 120.200 -0.029 0.000 2.538 612 E HA 0.717 5.067 4.350 -0.001 0.000 0.232 612 E C -0.994 175.523 176.600 -0.139 0.000 0.830 612 E CA -1.039 55.305 56.400 -0.093 0.000 0.916 612 E CB 0.830 30.506 29.700 -0.040 0.000 1.567 612 E HN 0.262 nan 8.360 nan 0.000 0.389 613 I N 1.140 121.608 120.570 -0.170 0.000 2.377 613 I HA 0.231 4.401 4.170 -0.001 0.000 0.293 613 I C -1.999 174.091 176.117 -0.044 0.000 0.987 613 I CA -2.419 58.795 61.300 -0.144 0.000 1.185 613 I CB 2.054 39.904 38.000 -0.251 0.000 1.341 613 I HN 0.388 nan 8.210 nan 0.000 0.455 614 P HA 0.022 nan 4.420 nan 0.000 0.249 614 P C 0.616 177.904 177.300 -0.020 0.000 1.241 614 P CA 0.172 63.259 63.100 -0.021 0.000 0.781 614 P CB 0.093 31.785 31.700 -0.013 0.000 1.088 615 R N -1.907 118.599 120.500 0.011 0.000 3.922 615 R HA -0.205 4.135 4.340 -0.001 0.000 0.447 615 R C 1.151 177.508 176.300 0.096 0.000 1.035 615 R CA 1.006 57.104 56.100 -0.003 0.000 1.289 615 R CB -2.185 28.001 30.300 -0.190 0.000 1.906 615 R HN 0.105 nan 8.270 nan 0.000 0.540 616 S N -0.199 115.545 115.700 0.074 0.000 2.338 616 S HA -0.005 4.465 4.470 -0.001 0.000 0.218 616 S C 1.234 175.892 174.600 0.098 0.000 1.032 616 S CA 1.277 59.517 58.200 0.065 0.000 0.999 616 S CB 0.025 63.246 63.200 0.034 0.000 0.905 616 S HN 0.565 nan 8.310 nan 0.000 0.439 617 A N 0.338 123.218 122.820 0.099 0.000 3.105 617 A HA 0.487 4.806 4.320 -0.001 0.000 0.272 617 A C 0.545 178.214 177.584 0.142 0.000 1.466 617 A CA -0.466 51.625 52.037 0.089 0.000 1.101 617 A CB -0.678 18.349 19.000 0.044 0.000 1.065 617 A HN 0.441 nan 8.150 nan 0.000 0.643 618 F N -0.247 119.722 119.950 0.032 0.000 2.350 618 F HA 0.200 4.727 4.527 -0.000 0.000 0.253 618 F C 1.832 177.650 175.800 0.031 0.000 1.088 618 F CA 1.258 59.290 58.000 0.054 0.000 1.037 618 F CB 0.175 39.209 39.000 0.057 0.000 1.107 618 F HN 0.316 nan 8.300 nan 0.000 0.603 619 E N 0.234 120.583 120.200 0.248 0.000 2.371 619 E HA 0.046 4.396 4.350 -0.001 0.000 0.194 619 E C 0.820 177.438 176.600 0.031 0.000 1.012 619 E CA 0.626 57.060 56.400 0.058 0.000 0.860 619 E CB 0.082 29.936 29.700 0.257 0.000 0.811 619 E HN 0.613 nan 8.360 nan 0.000 0.502 620 c N -0.837 117.803 118.600 0.067 0.000 0.168 620 c HA -0.232 4.337 4.570 -0.001 0.000 0.017 620 c C -0.106 173.999 174.090 0.026 0.000 0.171 620 c CA -0.270 56.080 56.329 0.034 0.000 0.499 620 c CB -0.688 41.823 42.510 0.002 0.000 3.212 620 c HN 0.577 nan 8.230 nan 0.000 1.118 621 R N -0.101 120.407 120.500 0.015 0.000 2.741 621 R HA 0.547 4.887 4.340 -0.001 0.000 0.276 621 R C -0.912 175.392 176.300 0.006 0.000 1.028 621 R CA -0.289 55.818 56.100 0.012 0.000 0.865 621 R CB 1.052 31.362 30.300 0.018 0.000 1.268 621 R HN 0.873 nan 8.270 nan 0.000 0.475 622 E N 1.494 121.697 120.200 0.004 0.000 3.157 622 E HA 0.069 4.418 4.350 -0.001 0.000 0.203 622 E C -1.158 175.444 176.600 0.003 0.000 0.982 622 E CA -0.133 56.268 56.400 0.002 0.000 1.217 622 E CB 1.344 31.044 29.700 -0.001 0.000 1.123 622 E HN 0.397 nan 8.360 nan 0.000 0.457 623 Q N 0.322 120.125 119.800 0.005 0.000 2.316 623 Q HA 0.507 4.847 4.340 -0.001 0.000 0.264 623 Q C 0.653 176.656 176.000 0.005 0.000 0.987 623 Q CA -0.584 55.222 55.803 0.005 0.000 0.852 623 Q CB 1.710 30.451 28.738 0.005 0.000 1.287 623 Q HN 0.004 nan 8.270 nan 0.000 0.448 624 V N -0.774 119.142 119.914 0.004 0.000 0.691 624 V HA -0.294 3.825 4.120 -0.001 0.000 0.092 624 V C 0.338 176.435 176.094 0.005 0.000 0.771 624 V CA 0.731 63.034 62.300 0.005 0.000 3.097 624 V CB -2.407 29.419 31.823 0.006 0.000 0.183 624 V HN 1.413 nan 8.190 nan 0.000 0.069 625 V N -1.880 118.037 119.914 0.006 0.000 3.036 625 V HA 0.787 4.906 4.120 -0.001 0.000 0.308 625 V C 0.687 176.783 176.094 0.005 0.000 1.070 625 V CA 0.219 62.523 62.300 0.005 0.000 1.056 625 V CB 1.320 33.147 31.823 0.006 0.000 1.084 625 V HN 1.586 nan 8.190 nan 0.000 0.471 626 S N 2.077 117.779 115.700 0.003 0.000 2.414 626 S HA 0.205 4.674 4.470 -0.001 0.000 0.290 626 S C 0.100 174.703 174.600 0.005 0.000 1.160 626 S CA -0.075 58.126 58.200 0.003 0.000 1.069 626 S CB -0.585 62.615 63.200 -0.000 0.000 1.012 626 S HN 0.837 nan 8.310 nan 0.000 0.510 627 E N 3.286 123.491 120.200 0.008 0.000 1.936 627 E HA 0.059 4.409 4.350 -0.001 0.000 0.267 627 E C -0.291 176.314 176.600 0.008 0.000 1.076 627 E CA -0.197 56.209 56.400 0.009 0.000 0.870 627 E CB 0.415 30.122 29.700 0.011 0.000 1.093 627 E HN 0.586 nan 8.360 nan 0.000 0.411 628 Q N 1.964 121.768 119.800 0.006 0.000 2.300 628 Q HA 0.062 4.402 4.340 -0.001 0.000 0.262 628 Q C 0.036 176.037 176.000 0.002 0.000 1.109 628 Q CA 0.140 55.944 55.803 0.002 0.000 0.905 628 Q CB 0.585 29.323 28.738 0.000 0.000 1.280 628 Q HN 0.337 nan 8.270 nan 0.000 0.426 629 T N 2.295 116.849 114.554 -0.000 0.000 2.908 629 T HA 0.034 4.384 4.350 -0.001 0.000 0.325 629 T C -0.261 174.436 174.700 -0.006 0.000 1.092 629 T CA 0.052 62.150 62.100 -0.003 0.000 1.125 629 T CB 0.250 69.112 68.868 -0.009 0.000 1.016 629 T HN 0.306 nan 8.240 nan 0.000 0.550 630 L N 4.918 126.141 121.223 -0.000 0.000 2.337 630 L HA 0.499 4.838 4.340 -0.001 0.000 0.269 630 L C -0.685 176.193 176.870 0.012 0.000 1.018 630 L CA -0.334 54.513 54.840 0.010 0.000 0.876 630 L CB 0.692 42.764 42.059 0.021 0.000 1.236 630 L HN 0.385 nan 8.230 nan 0.000 0.436 631 V N 4.259 124.177 119.914 0.006 0.000 2.644 631 V HA 0.414 4.533 4.120 -0.001 0.000 0.295 631 V C 0.116 176.263 176.094 0.089 0.000 1.053 631 V CA -0.526 61.788 62.300 0.022 0.000 0.987 631 V CB 1.571 33.374 31.823 -0.034 0.000 1.006 631 V HN 0.670 nan 8.190 nan 0.000 0.472 632 Q N 1.666 121.539 119.800 0.122 0.000 2.312 632 Q HA 0.516 4.855 4.340 -0.001 0.000 0.263 632 Q C -0.753 175.391 176.000 0.240 0.000 0.995 632 Q CA -0.276 55.621 55.803 0.156 0.000 0.853 632 Q CB 2.120 30.913 28.738 0.091 0.000 1.300 632 Q HN 0.718 nan 8.270 nan 0.000 0.448 633 S N 2.718 118.581 115.700 0.271 0.000 2.640 633 S HA 0.305 4.775 4.470 -0.001 0.000 0.320 633 S C -1.075 173.598 174.600 0.121 0.000 1.097 633 S CA -0.690 57.639 58.200 0.215 0.000 1.092 633 S CB 0.536 63.955 63.200 0.364 0.000 0.988 633 S HN 0.588 nan 8.310 nan 0.000 0.470 634 N N 5.453 124.142 118.700 -0.018 0.000 2.444 634 N HA 0.459 5.199 4.740 -0.001 0.000 0.262 634 N C -1.010 174.472 175.510 -0.047 0.000 0.974 634 N CA -0.325 52.707 53.050 -0.031 0.000 0.933 634 N CB 0.618 39.068 38.487 -0.062 0.000 1.137 634 N HN 0.670 nan 8.380 nan 0.000 0.498 635 I N 1.786 122.370 120.570 0.024 0.000 2.603 635 I HA 0.483 4.653 4.170 -0.001 0.000 0.300 635 I C -0.297 175.833 176.117 0.022 0.000 1.017 635 I CA -0.815 60.501 61.300 0.027 0.000 1.098 635 I CB 1.900 39.964 38.000 0.106 0.000 1.279 635 I HN 0.322 nan 8.210 nan 0.000 0.437 636 c N 5.149 123.752 118.600 0.004 0.000 2.802 636 c HA 0.726 5.296 4.570 -0.001 0.000 0.307 636 c C -0.504 173.624 174.090 0.064 0.000 1.222 636 c CA -0.783 55.558 56.329 0.020 0.000 1.580 636 c CB 1.777 44.262 42.510 -0.041 0.000 2.119 636 c HN 0.559 nan 8.230 nan 0.000 0.479 637 L N 2.734 124.030 121.223 0.122 0.000 2.438 637 L HA 0.645 4.985 4.340 -0.001 0.000 0.270 637 L C -1.145 175.850 176.870 0.207 0.000 0.972 637 L CA -0.488 54.419 54.840 0.110 0.000 0.831 637 L CB 1.420 43.462 42.059 -0.028 0.000 1.273 637 L HN 0.899 nan 8.230 nan 0.000 0.405 638 Y N 2.475 122.744 120.300 -0.052 0.000 2.513 638 Y HA 0.804 5.354 4.550 -0.001 0.000 0.340 638 Y C -1.034 174.842 175.900 -0.039 0.000 1.055 638 Y CA -1.364 56.715 58.100 -0.034 0.000 1.020 638 Y CB 1.387 39.828 38.460 -0.033 0.000 1.301 638 Y HN 0.416 nan 8.280 nan 0.000 0.453 639 I N 1.360 121.827 120.570 -0.173 0.000 2.441 639 I HA 0.531 4.701 4.170 -0.001 0.000 0.295 639 I C -0.599 175.388 176.117 -0.217 0.000 0.994 639 I CA -0.604 60.533 61.300 -0.271 0.000 1.144 639 I CB 2.135 40.032 38.000 -0.171 0.000 1.314 639 I HN 0.891 nan 8.210 nan 0.000 0.445 640 D N 3.653 123.875 120.400 -0.297 0.000 2.403 640 D HA 0.027 4.666 4.640 -0.001 0.000 0.280 640 D C 0.318 176.488 176.300 -0.218 0.000 1.091 640 D CA 0.034 53.930 54.000 -0.173 0.000 0.884 640 D CB 0.432 41.176 40.800 -0.093 0.000 1.427 640 D HN 0.498 nan 8.370 nan 0.000 0.504 641 K N 1.159 121.302 120.400 -0.429 0.000 2.268 641 K HA 0.282 4.602 4.320 -0.001 0.000 0.276 641 K C 0.986 177.290 176.600 -0.493 0.000 1.080 641 K CA -0.365 55.637 56.287 -0.476 0.000 0.910 641 K CB 0.877 32.949 32.500 -0.714 0.000 1.163 641 K HN 0.077 nan 8.250 nan 0.000 0.465 642 R N 1.579 121.926 120.500 -0.255 0.000 2.591 642 R HA 0.005 4.345 4.340 -0.001 0.000 0.288 642 R C 0.913 177.151 176.300 -0.104 0.000 0.947 642 R CA 0.614 56.606 56.100 -0.180 0.000 1.085 642 R CB -0.163 30.059 30.300 -0.130 0.000 1.618 642 R HN 0.504 nan 8.270 nan 0.000 0.524 643 S N 2.836 118.491 115.700 -0.075 0.000 2.389 643 S HA -0.322 4.147 4.470 -0.001 0.000 0.231 643 S C 1.906 176.492 174.600 -0.024 0.000 1.052 643 S CA 1.772 59.952 58.200 -0.033 0.000 1.053 643 S CB -0.397 62.799 63.200 -0.007 0.000 0.886 643 S HN 0.649 nan 8.310 nan 0.000 0.456 644 K N 1.711 122.098 120.400 -0.021 0.000 2.007 644 K HA 0.015 4.335 4.320 -0.001 0.000 0.206 644 K C 1.615 178.203 176.600 -0.020 0.000 1.047 644 K CA 1.354 57.636 56.287 -0.010 0.000 0.937 644 K CB -0.581 31.923 32.500 0.006 0.000 0.718 644 K HN 0.256 nan 8.250 nan 0.000 0.438 645 N N 1.188 119.868 118.700 -0.033 0.000 2.459 645 N HA 0.074 4.813 4.740 -0.001 0.000 0.181 645 N C 0.399 175.889 175.510 -0.032 0.000 1.046 645 N CA 0.619 53.650 53.050 -0.033 0.000 0.904 645 N CB -0.444 38.017 38.487 -0.042 0.000 0.964 645 N HN 0.218 nan 8.380 nan 0.000 0.444 646 L N -0.963 120.239 121.223 -0.035 0.000 0.600 646 L HA -0.290 4.050 4.340 -0.001 0.000 0.356 646 L C 0.261 177.113 176.870 -0.030 0.000 1.022 646 L CA -0.046 54.777 54.840 -0.029 0.000 1.223 646 L CB -0.589 41.458 42.059 -0.021 0.000 0.047 646 L HN 0.064 nan 8.230 nan 0.000 0.094 647 L N 0.017 121.226 121.223 -0.024 0.000 2.444 647 L HA 0.475 4.815 4.340 -0.001 0.000 0.251 647 L C 1.210 178.068 176.870 -0.020 0.000 1.247 647 L CA 0.970 55.797 54.840 -0.022 0.000 0.825 647 L CB -0.110 41.938 42.059 -0.017 0.000 1.129 647 L HN 0.953 nan 8.230 nan 0.000 0.527 648 G N -0.170 108.619 108.800 -0.018 0.000 2.685 648 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.387 648 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.387 648 G C -0.409 174.479 174.900 -0.019 0.000 1.324 648 G CA -0.502 44.588 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 0.200 4.670 4.470 -0.001 0.000 0.297 649 S C 1.500 176.085 174.600 -0.024 0.000 1.283 649 S CA 1.757 59.943 58.200 -0.023 0.000 1.044 649 S CB 0.684 63.871 63.200 -0.023 0.000 0.789 649 S HN 1.776 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 -0.259 4.080 4.340 -0.001 0.000 0.019 650 R C 1.150 177.434 176.300 -0.027 0.000 0.960 650 R CA 1.696 57.781 56.100 -0.026 0.000 1.987 650 R CB -1.818 28.468 30.300 -0.022 0.000 0.132 650 R HN 0.674 nan 8.270 nan 0.000 0.732 651 D N 0.171 120.553 120.400 -0.030 0.000 2.271 651 D HA -0.087 4.553 4.640 -0.001 0.000 0.207 651 D C 1.358 177.636 176.300 -0.037 0.000 0.983 651 D CA 1.738 55.715 54.000 -0.039 0.000 0.878 651 D CB 0.104 40.879 40.800 -0.042 0.000 0.920 651 D HN 0.262 nan 8.370 nan 0.000 0.479 652 L N -0.047 121.159 121.223 -0.028 0.000 2.597 652 L HA 0.203 4.543 4.340 -0.001 0.000 0.188 652 L C 0.992 177.850 176.870 -0.021 0.000 1.333 652 L CA 0.276 55.103 54.840 -0.022 0.000 1.543 652 L CB -1.318 40.731 42.059 -0.017 0.000 1.504 652 L HN -0.043 nan 8.230 nan 0.000 0.813 653 Q N 1.119 120.906 119.800 -0.021 0.000 2.308 653 Q HA 0.141 4.481 4.340 -0.001 0.000 0.313 653 Q C -0.917 175.069 176.000 -0.023 0.000 1.075 653 Q CA 0.531 56.321 55.803 -0.023 0.000 0.995 653 Q CB 0.256 28.977 28.738 -0.027 0.000 1.107 653 Q HN 0.577 nan 8.270 nan 0.000 0.380 654 S N 1.775 117.462 115.700 -0.022 0.000 2.543 654 S HA 0.483 4.953 4.470 -0.001 0.000 0.274 654 S C -1.155 173.433 174.600 -0.020 0.000 1.149 654 S CA -1.008 57.182 58.200 -0.016 0.000 0.866 654 S CB 1.840 65.038 63.200 -0.002 0.000 1.111 654 S HN 0.433 nan 8.310 nan 0.000 0.457 655 S N 0.738 116.429 115.700 -0.015 0.000 2.654 655 S HA 0.873 5.343 4.470 -0.001 0.000 0.283 655 S C -0.706 173.896 174.600 0.003 0.000 1.180 655 S CA -0.607 57.582 58.200 -0.018 0.000 1.021 655 S CB 1.356 64.546 63.200 -0.017 0.000 1.018 655 S HN 0.817 nan 8.310 nan 0.000 0.532 656 V N 1.602 121.518 119.914 0.003 0.000 2.971 656 V HA 0.506 4.625 4.120 -0.001 0.000 0.309 656 V C -0.405 175.713 176.094 0.039 0.000 1.130 656 V CA -1.004 61.322 62.300 0.043 0.000 0.964 656 V CB 2.454 34.323 31.823 0.076 0.000 1.029 656 V HN 1.009 nan 8.190 nan 0.000 0.427 657 T N 2.610 117.198 114.554 0.056 0.000 2.749 657 T HA 0.796 5.146 4.350 -0.001 0.000 0.287 657 T C -0.673 174.075 174.700 0.079 0.000 0.970 657 T CA -0.463 61.664 62.100 0.045 0.000 0.980 657 T CB 0.744 69.626 68.868 0.024 0.000 0.924 657 T HN 0.364 nan 8.240 nan 0.000 0.456 658 L N 2.768 124.024 121.223 0.054 0.000 2.325 658 L HA 0.591 4.931 4.340 -0.001 0.000 0.278 658 L C -0.515 176.357 176.870 0.002 0.000 1.023 658 L CA -0.815 54.061 54.840 0.060 0.000 0.811 658 L CB 1.490 43.569 42.059 0.033 0.000 1.249 658 L HN 0.633 nan 8.230 nan 0.000 0.431 659 D N 3.574 123.991 120.400 0.029 0.000 2.363 659 D HA 0.363 5.003 4.640 -0.001 0.000 0.258 659 D C -0.614 175.703 176.300 0.029 0.000 1.259 659 D CA -0.191 53.812 54.000 0.006 0.000 0.921 659 D CB 1.093 41.923 40.800 0.049 0.000 1.201 659 D HN 0.196 nan 8.370 nan 0.000 0.524 660 L N 0.905 122.083 121.223 -0.075 0.000 2.371 660 L HA 0.769 5.109 4.340 -0.001 0.000 0.272 660 L C 0.424 177.399 176.870 0.175 0.000 1.124 660 L CA -0.629 54.224 54.840 0.021 0.000 0.816 660 L CB 1.001 42.961 42.059 -0.165 0.000 1.129 660 L HN 0.260 nan 8.230 nan 0.000 0.448 661 A N 3.779 126.754 122.820 0.259 0.000 2.488 661 A HA 0.733 5.053 4.320 -0.001 0.000 0.295 661 A C -1.182 176.510 177.584 0.180 0.000 1.045 661 A CA -0.518 51.659 52.037 0.235 0.000 0.703 661 A CB 1.257 20.340 19.000 0.138 0.000 1.271 661 A HN 0.480 nan 8.150 nan 0.000 0.400 662 L N 1.285 122.575 121.223 0.112 0.000 2.334 662 L HA 0.534 4.873 4.340 -0.001 0.000 0.275 662 L C -0.041 176.844 176.870 0.025 0.000 1.036 662 L CA -0.146 54.718 54.840 0.040 0.000 0.807 662 L CB 0.829 42.838 42.059 -0.084 0.000 1.231 662 L HN 0.705 nan 8.230 nan 0.000 0.438 663 D N 1.638 122.056 120.400 0.029 0.000 2.829 663 D HA -0.176 4.464 4.640 -0.001 0.000 0.219 663 D C -1.760 174.547 176.300 0.012 0.000 1.239 663 D CA 0.314 54.325 54.000 0.019 0.000 0.685 663 D CB -0.377 40.427 40.800 0.006 0.000 0.950 663 D HN 0.400 nan 8.370 nan 0.000 0.398 664 P HA -0.066 nan 4.420 nan 0.000 0.215 664 P C 1.672 178.964 177.300 -0.013 0.000 1.157 664 P CA 1.527 64.629 63.100 0.003 0.000 0.863 664 P CB 0.132 31.828 31.700 -0.007 0.000 0.787 665 G N 0.030 108.819 108.800 -0.019 0.000 2.509 665 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.218 665 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.218 665 G C 0.628 175.515 174.900 -0.023 0.000 1.124 665 G CA 0.004 45.088 45.100 -0.027 0.000 0.776 665 G HN 0.326 nan 8.290 nan 0.000 0.547 666 R N -0.338 120.151 120.500 -0.017 0.000 2.604 666 R HA 0.481 4.821 4.340 -0.001 0.000 0.287 666 R C -0.315 175.975 176.300 -0.017 0.000 0.970 666 R CA -0.941 55.147 56.100 -0.019 0.000 0.946 666 R CB 1.063 31.351 30.300 -0.020 0.000 1.127 666 R HN -0.001 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 -0.001 0.000 0.239 667 L C -0.062 176.798 176.870 -0.017 0.000 1.245 667 L CA 0.013 54.844 54.840 -0.015 0.000 1.064 667 L CB 0.035 42.085 42.059 -0.016 0.000 1.350 667 L HN 0.778 nan 8.230 nan 0.000 0.455 668 S N -1.666 114.022 115.700 -0.019 0.000 2.204 668 S HA 0.383 4.852 4.470 -0.001 0.000 0.147 668 S C -2.582 172.004 174.600 -0.022 0.000 1.711 668 S CA -1.328 56.858 58.200 -0.023 0.000 1.274 668 S CB 0.570 63.752 63.200 -0.030 0.000 1.257 668 S HN -0.099 nan 8.310 nan 0.000 0.404 669 P HA 0.141 nan 4.420 nan 0.000 0.255 669 P C 0.437 177.719 177.300 -0.029 0.000 1.173 669 P CA 0.060 63.147 63.100 -0.022 0.000 0.780 669 P CB 0.320 32.009 31.700 -0.019 0.000 0.758 670 R N 2.419 122.903 120.500 -0.027 0.000 2.328 670 R HA 0.370 4.710 4.340 -0.001 0.000 0.200 670 R C 0.346 176.621 176.300 -0.042 0.000 0.983 670 R CA 0.425 56.514 56.100 -0.019 0.000 1.062 670 R CB -0.141 30.171 30.300 0.020 0.000 0.956 670 R HN 0.607 nan 8.270 nan 0.000 0.479 671 A N -2.161 120.615 122.820 -0.073 0.000 2.462 671 A HA 0.511 4.831 4.320 -0.001 0.000 0.299 671 A C -1.291 176.209 177.584 -0.141 0.000 1.047 671 A CA -0.255 51.715 52.037 -0.111 0.000 0.581 671 A CB 0.518 19.424 19.000 -0.158 0.000 1.466 671 A HN 0.187 nan 8.150 nan 0.000 0.616 672 T N -2.185 112.255 114.554 -0.191 0.000 2.957 672 T HA 0.626 4.976 4.350 -0.001 0.000 0.336 672 T C -0.833 173.737 174.700 -0.216 0.000 1.462 672 T CA -0.544 61.449 62.100 -0.179 0.000 1.073 672 T CB 0.379 69.226 68.868 -0.036 0.000 1.319 672 T HN 0.914 nan 8.240 nan 0.000 0.485 673 F N 1.577 121.547 119.950 0.033 0.000 2.410 673 F HA 0.411 4.938 4.527 -0.001 0.000 0.334 673 F C 2.183 178.015 175.800 0.052 0.000 1.134 673 F CA -0.488 57.542 58.000 0.050 0.000 1.227 673 F CB 0.948 39.962 39.000 0.024 0.000 1.194 673 F HN 0.779 nan 8.300 nan 0.000 0.571 674 Q N 0.834 120.793 119.800 0.264 0.000 2.123 674 Q HA -0.151 4.189 4.340 -0.001 0.000 0.196 674 Q C 1.889 177.981 176.000 0.152 0.000 0.958 674 Q CA 1.100 57.001 55.803 0.164 0.000 0.841 674 Q CB 0.018 28.837 28.738 0.135 0.000 0.915 674 Q HN 0.764 nan 8.270 nan 0.000 0.455 675 E N -0.389 119.919 120.200 0.180 0.000 2.171 675 E HA -0.184 4.165 4.350 -0.001 0.000 0.197 675 E C 1.464 178.124 176.600 0.099 0.000 0.997 675 E CA 1.911 58.390 56.400 0.132 0.000 0.810 675 E CB -0.134 29.653 29.700 0.145 0.000 0.738 675 E HN 0.300 nan 8.360 nan 0.000 0.467 676 T N -2.378 112.244 114.554 0.113 0.000 2.954 676 T HA 0.162 4.511 4.350 -0.001 0.000 0.252 676 T C 0.802 175.557 174.700 0.092 0.000 0.983 676 T CA 0.675 62.826 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 -0.147 4.172 4.320 -0.001 0.000 0.277 677 K C -0.339 176.313 176.600 0.086 0.000 1.196 677 K CA 0.898 57.239 56.287 0.091 0.000 1.022 677 K CB -1.366 31.171 32.500 0.061 0.000 1.292 677 K HN 0.344 nan 8.250 nan 0.000 0.484 678 N N 0.295 119.062 118.700 0.112 0.000 2.347 678 N HA 0.110 4.849 4.740 -0.001 0.000 0.253 678 N C 0.809 176.395 175.510 0.127 0.000 1.274 678 N CA 0.352 53.463 53.050 0.103 0.000 0.941 678 N CB 0.498 39.044 38.487 0.099 0.000 1.200 678 N HN 0.280 nan 8.380 nan 0.000 0.514 679 R N -1.351 119.203 120.500 0.090 0.000 2.313 679 R HA 0.216 4.556 4.340 -0.001 0.000 0.199 679 R C -0.337 176.066 176.300 0.172 0.000 0.958 679 R CA 0.113 56.247 56.100 0.057 0.000 1.047 679 R CB -0.477 29.839 30.300 0.025 0.000 0.955 679 R HN 0.421 nan 8.270 nan 0.000 0.481 680 S N -0.717 115.164 115.700 0.300 0.000 2.615 680 S HA 0.713 5.183 4.470 -0.001 0.000 0.269 680 S C -1.115 173.593 174.600 0.179 0.000 1.161 680 S CA -0.809 57.614 58.200 0.371 0.000 0.817 680 S CB 1.514 64.821 63.200 0.178 0.000 1.131 680 S HN 0.337 nan 8.310 nan 0.000 0.467 681 L N -1.945 119.199 121.223 -0.131 0.000 2.671 681 L HA 1.007 5.347 4.340 -0.001 0.000 0.259 681 L C -0.924 175.783 176.870 -0.272 0.000 1.021 681 L CA -0.436 54.245 54.840 -0.266 0.000 0.871 681 L CB 1.507 43.256 42.059 -0.517 0.000 1.472 681 L HN 0.910 nan 8.230 nan 0.000 0.410 682 S N 0.356 115.947 115.700 -0.182 0.000 2.540 682 S HA 0.870 5.340 4.470 -0.001 0.000 0.275 682 S C -1.342 173.206 174.600 -0.087 0.000 1.123 682 S CA -0.660 57.463 58.200 -0.127 0.000 0.907 682 S CB 1.313 64.479 63.200 -0.056 0.000 1.081 682 S HN 0.832 nan 8.310 nan 0.000 0.476 683 R N 2.347 122.813 120.500 -0.056 0.000 2.535 683 R HA 0.401 4.740 4.340 -0.001 0.000 0.274 683 R C -1.689 174.621 176.300 0.017 0.000 1.090 683 R CA -0.756 55.345 56.100 0.002 0.000 0.930 683 R CB 1.959 32.292 30.300 0.054 0.000 1.223 683 R HN 0.455 nan 8.270 nan 0.000 0.441 684 V N 4.444 124.366 119.914 0.014 0.000 2.385 684 V HA 0.424 4.544 4.120 -0.001 0.000 0.269 684 V C 0.322 176.411 176.094 -0.008 0.000 1.043 684 V CA -0.196 62.106 62.300 0.005 0.000 0.906 684 V CB 0.778 32.602 31.823 0.002 0.000 0.995 684 V HN 0.599 nan 8.190 nan 0.000 0.467 685 R N 3.035 123.509 120.500 -0.044 0.000 2.867 685 R HA 0.681 5.021 4.340 -0.001 0.000 0.268 685 R C -1.255 174.937 176.300 -0.180 0.000 1.014 685 R CA -0.946 55.084 56.100 -0.117 0.000 0.946 685 R CB 2.486 32.675 30.300 -0.184 0.000 1.208 685 R HN 0.441 nan 8.270 nan 0.000 0.477 686 V N 3.526 123.313 119.914 -0.212 0.000 2.432 686 V HA 0.343 4.462 4.120 -0.001 0.000 0.275 686 V C -0.070 175.906 176.094 -0.196 0.000 1.043 686 V CA -0.358 61.854 62.300 -0.146 0.000 0.925 686 V CB 0.676 32.460 31.823 -0.065 0.000 0.985 686 V HN 0.503 nan 8.190 nan 0.000 0.466 687 L N 6.216 127.372 121.223 -0.112 0.000 2.472 687 L HA 0.907 5.247 4.340 -0.001 0.000 0.256 687 L C 0.784 177.648 176.870 -0.009 0.000 1.111 687 L CA 0.101 54.905 54.840 -0.060 0.000 0.800 687 L CB 1.504 43.543 42.059 -0.033 0.000 1.286 687 L HN 0.817 nan 8.230 nan 0.000 0.479 688 G N -0.792 108.020 108.800 0.019 0.000 2.606 688 G HA2 0.374 4.334 3.960 -0.001 0.000 0.300 688 G HA3 0.374 4.334 3.960 -0.001 0.000 0.300 688 G C -0.367 174.547 174.900 0.023 0.000 1.360 688 G CA -0.544 44.566 45.100 0.018 0.000 0.783 688 G HN 0.493 nan 8.290 nan 0.000 0.484 689 L N -1.671 119.560 121.223 0.013 0.000 2.478 689 L HA 0.477 4.816 4.340 -0.001 0.000 0.223 689 L C 0.969 177.875 176.870 0.060 0.000 1.140 689 L CA 0.764 55.614 54.840 0.017 0.000 0.842 689 L CB -0.522 41.533 42.059 -0.006 0.000 0.953 689 L HN 0.199 nan 8.230 nan 0.000 0.452 690 K N 1.933 122.365 120.400 0.053 0.000 2.183 690 K HA 0.665 4.985 4.320 -0.001 0.000 0.274 690 K C 0.237 176.888 176.600 0.084 0.000 1.009 690 K CA -0.041 56.280 56.287 0.056 0.000 0.888 690 K CB 1.055 33.572 32.500 0.028 0.000 1.078 690 K HN 0.275 nan 8.250 nan 0.000 0.459 691 A N 3.263 126.131 122.820 0.079 0.000 2.609 691 A HA -0.008 4.312 4.320 -0.001 0.000 0.235 691 A C -0.587 177.063 177.584 0.109 0.000 1.092 691 A CA 0.707 52.798 52.037 0.091 0.000 0.780 691 A CB -0.290 18.686 19.000 -0.040 0.000 1.031 691 A HN 0.915 nan 8.150 nan 0.000 0.515 692 H N -0.832 118.246 119.070 0.013 0.000 3.092 692 H HA 0.469 5.025 4.556 -0.001 0.000 0.308 692 H C -1.339 173.977 175.328 -0.021 0.000 1.047 692 H CA -0.602 55.441 56.048 -0.007 0.000 1.466 692 H CB 0.623 30.387 29.762 0.002 0.000 1.597 692 H HN 0.657 nan 8.280 nan 0.000 0.512 693 c N 4.265 122.666 118.600 -0.332 0.000 2.273 693 c HA 0.452 5.021 4.570 -0.001 0.000 0.328 693 c C -0.017 173.861 174.090 -0.354 0.000 1.275 693 c CA -0.574 55.611 56.329 -0.241 0.000 1.704 693 c CB -0.066 42.343 42.510 -0.168 0.000 2.326 693 c HN 0.866 nan 8.230 nan 0.000 0.517 694 E N 3.084 123.131 120.200 -0.255 0.000 2.246 694 E HA 0.363 4.712 4.350 -0.001 0.000 0.266 694 E C -1.078 175.241 176.600 -0.470 0.000 0.880 694 E CA -0.348 55.830 56.400 -0.369 0.000 0.762 694 E CB 0.956 30.440 29.700 -0.360 0.000 1.180 694 E HN 0.834 nan 8.360 nan 0.000 0.416 695 N N 3.199 121.637 118.700 -0.437 0.000 2.456 695 N HA 0.371 5.111 4.740 -0.001 0.000 0.288 695 N C -1.249 173.990 175.510 -0.452 0.000 1.059 695 N CA -0.235 52.631 53.050 -0.306 0.000 0.946 695 N CB 0.575 38.987 38.487 -0.125 0.000 1.150 695 N HN 0.168 nan 8.380 nan 0.000 0.479 696 F N -0.285 119.721 119.950 0.094 0.000 2.523 696 F HA 0.449 4.976 4.527 -0.001 0.000 0.329 696 F C 0.423 176.336 175.800 0.188 0.000 1.061 696 F CA -1.091 56.995 58.000 0.144 0.000 0.967 696 F CB 1.243 40.352 39.000 0.182 0.000 1.218 696 F HN 0.275 nan 8.300 nan 0.000 0.480 697 N N 1.925 120.858 118.700 0.388 0.000 2.434 697 N HA 0.521 5.261 4.740 -0.001 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 0.253 0.000 0.956 697 N CB 1.392 39.983 38.487 0.174 0.000 1.108 697 N HN 0.310 nan 8.380 nan 0.000 0.481 698 L N 1.884 123.193 121.223 0.143 0.000 2.354 698 L HA 0.557 4.897 4.340 -0.001 0.000 0.269 698 L C -0.657 176.210 176.870 -0.006 0.000 1.005 698 L CA -0.638 54.212 54.840 0.018 0.000 0.819 698 L CB 1.480 43.520 42.059 -0.033 0.000 1.311 698 L HN 0.264 nan 8.230 nan 0.000 0.423 699 L N 3.553 124.749 121.223 -0.045 0.000 2.342 699 L HA 0.520 4.860 4.340 -0.001 0.000 0.276 699 L C -0.771 176.069 176.870 -0.051 0.000 0.997 699 L CA -0.028 54.795 54.840 -0.029 0.000 0.838 699 L CB 1.382 43.437 42.059 -0.008 0.000 1.224 699 L HN 0.369 nan 8.230 nan 0.000 0.416 700 L N 6.114 127.309 121.223 -0.046 0.000 2.264 700 L HA 0.485 4.824 4.340 -0.001 0.000 0.289 700 L C -1.933 174.923 176.870 -0.024 0.000 1.044 700 L CA -1.792 53.021 54.840 -0.044 0.000 0.807 700 L CB 1.324 43.350 42.059 -0.056 0.000 1.192 700 L HN 0.347 nan 8.230 nan 0.000 0.425 701 P HA 0.011 nan 4.420 nan 0.000 0.268 701 P C 0.702 177.992 177.300 -0.015 0.000 1.204 701 P CA -0.167 62.922 63.100 -0.018 0.000 0.768 701 P CB 1.071 32.757 31.700 -0.024 0.000 0.842 702 S N 2.243 117.938 115.700 -0.009 0.000 2.380 702 S HA -0.174 4.296 4.470 -0.001 0.000 0.229 702 S C 0.765 175.353 174.600 -0.019 0.000 1.043 702 S CA 0.878 59.078 58.200 -0.001 0.000 1.038 702 S CB -1.178 62.024 63.200 0.004 0.000 0.872 702 S HN 0.579 nan 8.310 nan 0.000 0.456 703 c N 1.861 120.438 118.600 -0.038 0.000 2.329 703 c HA 0.903 5.473 4.570 -0.001 0.000 0.329 703 c C -0.008 174.025 174.090 -0.096 0.000 1.275 703 c CA -0.883 55.403 56.329 -0.071 0.000 1.726 703 c CB 0.605 43.083 42.510 -0.053 0.000 2.291 703 c HN 0.414 nan 8.230 nan 0.000 0.514 704 V N 2.634 122.450 119.914 -0.163 0.000 3.048 704 V HA 0.274 4.394 4.120 -0.001 0.000 0.303 704 V C 0.225 176.178 176.094 -0.234 0.000 1.214 704 V CA -0.452 61.747 62.300 -0.169 0.000 0.984 704 V CB 1.855 33.592 31.823 -0.143 0.000 1.054 704 V HN 0.948 nan 8.190 nan 0.000 0.430 705 E N 0.756 120.848 120.200 -0.180 0.000 2.012 705 E HA -0.053 4.297 4.350 -0.001 0.000 0.192 705 E C 0.195 176.656 176.600 -0.232 0.000 0.977 705 E CA 0.639 56.932 56.400 -0.178 0.000 0.832 705 E CB 0.092 29.720 29.700 -0.119 0.000 0.790 705 E HN 0.768 nan 8.360 nan 0.000 0.466 706 D N -0.037 120.237 120.400 -0.210 0.000 2.371 706 D HA -0.003 4.637 4.640 -0.001 0.000 0.256 706 D C 0.263 176.296 176.300 -0.444 0.000 1.193 706 D CA 0.184 54.032 54.000 -0.254 0.000 0.881 706 D CB 1.045 41.736 40.800 -0.182 0.000 1.143 706 D HN 0.110 nan 8.370 nan 0.000 0.473 707 S N 1.596 116.963 115.700 -0.555 0.000 2.593 707 S HA -0.045 4.425 4.470 -0.001 0.000 0.235 707 S C 1.944 175.967 174.600 -0.962 0.000 1.059 707 S CA 0.430 57.993 58.200 -1.061 0.000 0.953 707 S CB -0.452 62.447 63.200 -0.502 0.000 0.897 707 S HN 0.310 nan 8.310 nan 0.000 0.507 708 V N 2.282 121.918 119.914 -0.464 0.000 2.343 708 V HA 0.026 4.146 4.120 -0.001 0.000 0.247 708 V C 1.423 177.387 176.094 -0.216 0.000 1.051 708 V CA 1.627 63.734 62.300 -0.323 0.000 1.036 708 V CB -2.275 29.423 31.823 -0.207 0.000 0.654 708 V HN 0.711 nan 8.190 nan 0.000 0.451 709 T N -0.390 114.045 114.554 -0.199 0.000 2.738 709 T HA 0.477 4.826 4.350 -0.001 0.000 0.294 709 T C -2.279 172.427 174.700 0.011 0.000 0.914 709 T CA -1.738 60.324 62.100 -0.062 0.000 1.052 709 T CB 0.466 69.309 68.868 -0.042 0.000 0.897 709 T HN 0.350 nan 8.240 nan 0.000 0.522 710 P HA 0.061 nan 4.420 nan 0.000 0.267 710 P C 0.387 177.828 177.300 0.234 0.000 1.195 710 P CA -0.311 62.981 63.100 0.320 0.000 0.773 710 P CB 0.257 32.065 31.700 0.181 0.000 0.837 711 I N -1.276 119.421 120.570 0.210 0.000 2.416 711 I HA 0.338 4.507 4.170 -0.001 0.000 0.288 711 I C 0.439 176.572 176.117 0.027 0.000 1.051 711 I CA -0.570 60.775 61.300 0.075 0.000 1.375 711 I CB 0.735 38.734 38.000 -0.002 0.000 1.407 711 I HN 0.227 nan 8.210 nan 0.000 0.516 712 T N 4.884 119.483 114.554 0.075 0.000 2.913 712 T HA 0.584 4.934 4.350 -0.001 0.000 0.287 712 T C -0.478 174.323 174.700 0.169 0.000 1.008 712 T CA -0.779 61.400 62.100 0.130 0.000 1.067 712 T CB 1.986 70.919 68.868 0.108 0.000 0.996 712 T HN 0.706 nan 8.240 nan 0.000 0.513 713 L N 2.676 124.060 121.223 0.268 0.000 2.504 713 L HA 0.609 4.949 4.340 -0.001 0.000 0.265 713 L C -0.732 176.290 176.870 0.253 0.000 0.975 713 L CA -0.952 54.062 54.840 0.289 0.000 0.864 713 L CB 1.361 43.680 42.059 0.432 0.000 1.212 713 L HN 0.971 nan 8.230 nan 0.000 0.416 714 R N 3.780 124.411 120.500 0.218 0.000 2.732 714 R HA 0.841 5.181 4.340 -0.001 0.000 0.278 714 R C -1.548 174.897 176.300 0.242 0.000 0.976 714 R CA -0.739 55.497 56.100 0.227 0.000 0.963 714 R CB 1.444 31.853 30.300 0.181 0.000 1.150 714 R HN 0.405 nan 8.270 nan 0.000 0.478 715 L N -0.397 120.999 121.223 0.288 0.000 2.365 715 L HA 0.634 4.974 4.340 -0.001 0.000 0.273 715 L C -0.893 176.181 176.870 0.339 0.000 1.000 715 L CA -0.960 54.044 54.840 0.274 0.000 0.819 715 L CB 1.900 44.100 42.059 0.235 0.000 1.284 715 L HN 0.745 nan 8.230 nan 0.000 0.418 716 N N 2.844 121.703 118.700 0.265 0.000 2.444 716 N HA 0.510 5.250 4.740 -0.001 0.000 0.262 716 N C -1.501 174.095 175.510 0.143 0.000 0.974 716 N CA -0.418 52.704 53.050 0.120 0.000 0.933 716 N CB 0.944 39.525 38.487 0.157 0.000 1.137 716 N HN 0.688 nan 8.380 nan 0.000 0.498 717 F N 0.949 120.855 119.950 -0.074 0.000 2.576 717 F HA 0.790 5.317 4.527 -0.001 0.000 0.313 717 F C -0.114 175.652 175.800 -0.056 0.000 1.078 717 F CA -0.656 57.325 58.000 -0.031 0.000 0.921 717 F CB 1.328 40.343 39.000 0.026 0.000 1.232 717 F HN 0.393 nan 8.300 nan 0.000 0.459 718 T N 0.070 114.583 114.554 -0.068 0.000 2.584 718 T HA 0.633 4.983 4.350 -0.001 0.000 0.273 718 T C -1.410 173.297 174.700 0.012 0.000 0.978 718 T CA -0.931 61.075 62.100 -0.157 0.000 1.159 718 T CB 1.186 69.969 68.868 -0.141 0.000 1.556 718 T HN 0.782 nan 8.240 nan 0.000 0.472 719 L N 1.614 122.832 121.223 -0.008 0.000 2.433 719 L HA 0.611 4.950 4.340 -0.001 0.000 0.256 719 L C -0.196 176.681 176.870 0.011 0.000 1.063 719 L CA -0.833 54.021 54.840 0.024 0.000 0.922 719 L CB 1.431 43.506 42.059 0.027 0.000 1.238 719 L HN 0.568 nan 8.230 nan 0.000 0.466 720 V N 3.003 122.924 119.914 0.013 0.000 3.003 720 V HA 0.637 4.756 4.120 -0.001 0.000 0.305 720 V C 1.321 177.418 176.094 0.005 0.000 1.078 720 V CA 1.372 63.675 62.300 0.006 0.000 1.083 720 V CB 1.345 33.172 31.823 0.007 0.000 1.039 720 V HN 0.921 nan 8.190 nan 0.000 0.481 721 G N 3.285 112.088 108.800 0.005 0.000 5.452 721 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.310 721 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.310 721 G C 0.629 175.532 174.900 0.006 0.000 1.392 721 G CA 0.651 45.753 45.100 0.004 0.000 0.942 721 G HN 1.450 nan 8.290 nan 0.000 0.776 722 K N -0.472 119.928 120.400 -0.001 0.000 3.339 722 K HA -0.144 4.176 4.320 -0.001 0.000 0.299 722 K C -2.512 174.074 176.600 -0.023 0.000 1.270 722 K CA 1.022 57.308 56.287 -0.002 0.000 0.875 722 K CB -1.582 30.928 32.500 0.017 0.000 1.298 722 K HN 0.690 nan 8.250 nan 0.000 0.485 723 P HA 0.364 nan 4.420 nan 0.000 0.301 723 P C -0.674 176.549 177.300 -0.128 0.000 1.348 723 P CA -0.264 62.767 63.100 -0.115 0.000 0.826 723 P CB 0.865 32.509 31.700 -0.095 0.000 0.945 724 L N 5.339 126.456 121.223 -0.176 0.000 2.529 724 L HA 0.197 4.537 4.340 -0.001 0.000 0.260 724 L C 0.706 177.475 176.870 -0.168 0.000 0.997 724 L CA -0.670 54.089 54.840 -0.134 0.000 0.885 724 L CB 1.467 43.476 42.059 -0.085 0.000 1.185 724 L HN 0.273 nan 8.230 nan 0.000 0.442 725 L N 2.497 123.625 121.223 -0.158 0.000 4.565 725 L HA -0.345 3.995 4.340 -0.001 0.000 0.053 725 L C 0.515 177.254 176.870 -0.217 0.000 3.654 725 L CA 2.299 57.055 54.840 -0.140 0.000 1.224 725 L CB -1.032 40.976 42.059 -0.084 0.000 3.186 725 L HN 0.685 nan 8.230 nan 0.000 0.916 726 A N -1.202 121.521 122.820 -0.160 0.000 2.242 726 A HA 0.604 4.923 4.320 -0.001 0.000 0.304 726 A C 0.090 177.537 177.584 -0.230 0.000 1.100 726 A CA 0.263 52.217 52.037 -0.138 0.000 0.860 726 A CB 0.112 19.119 19.000 0.011 0.000 1.168 726 A HN 0.475 nan 8.150 nan 0.000 0.503 727 F N -0.298 119.659 119.950 0.012 0.000 2.757 727 F HA 0.201 4.728 4.527 -0.001 0.000 0.292 727 F C 1.662 177.472 175.800 0.018 0.000 1.204 727 F CA 0.178 58.187 58.000 0.014 0.000 1.417 727 F CB -0.062 38.947 39.000 0.015 0.000 1.001 727 F HN 0.516 nan 8.300 nan 0.000 0.508 728 R N 0.397 120.963 120.500 0.111 0.000 2.317 728 R HA 0.041 4.381 4.340 -0.001 0.000 0.208 728 R C 1.513 177.837 176.300 0.040 0.000 0.914 728 R CA 0.456 56.602 56.100 0.075 0.000 1.060 728 R CB -0.130 30.198 30.300 0.047 0.000 1.015 728 R HN 0.387 nan 8.270 nan 0.000 0.498 729 N N 0.284 119.004 118.700 0.034 0.000 2.516 729 N HA 0.015 4.754 4.740 -0.001 0.000 0.197 729 N C 1.225 176.762 175.510 0.045 0.000 1.064 729 N CA 0.102 53.165 53.050 0.022 0.000 0.866 729 N CB 0.345 38.830 38.487 -0.003 0.000 1.255 729 N HN 0.046 nan 8.380 nan 0.000 0.447 730 L N -0.303 120.963 121.223 0.072 0.000 4.244 730 L HA -0.360 3.979 4.340 -0.001 0.000 0.053 730 L C 0.250 177.159 176.870 0.064 0.000 3.875 730 L CA 2.309 57.211 54.840 0.104 0.000 1.095 730 L CB -1.071 41.055 42.059 0.112 0.000 3.276 730 L HN 0.545 nan 8.230 nan 0.000 0.889 731 R N 1.459 121.993 120.500 0.056 0.000 2.288 731 R HA 0.579 4.918 4.340 -0.001 0.000 0.326 731 R C -2.887 173.441 176.300 0.046 0.000 0.959 731 R CA -1.666 54.463 56.100 0.048 0.000 0.834 731 R CB 1.635 31.965 30.300 0.049 0.000 1.157 731 R HN 0.005 nan 8.270 nan 0.000 0.470 732 P HA 0.385 nan 4.420 nan 0.000 0.279 732 P C -0.725 176.615 177.300 0.067 0.000 1.276 732 P CA -0.789 62.342 63.100 0.052 0.000 0.801 732 P CB 1.009 32.732 31.700 0.039 0.000 1.127 733 M N -1.984 117.673 119.600 0.096 0.000 3.084 733 M HA 0.485 4.964 4.480 -0.001 0.000 0.273 733 M C -1.779 174.610 176.300 0.149 0.000 1.242 733 M CA -0.904 54.460 55.300 0.106 0.000 0.819 733 M CB 0.996 33.672 32.600 0.127 0.000 1.625 733 M HN -0.065 nan 8.290 nan 0.000 0.493 734 L N 1.086 122.377 121.223 0.113 0.000 2.376 734 L HA 0.940 5.280 4.340 -0.001 0.000 0.267 734 L C 0.436 177.378 176.870 0.120 0.000 1.035 734 L CA -0.916 54.001 54.840 0.128 0.000 0.800 734 L CB 1.562 43.622 42.059 0.002 0.000 1.290 734 L HN 0.948 nan 8.230 nan 0.000 0.462 735 A N 0.180 123.051 122.820 0.085 0.000 2.257 735 A HA 0.634 4.954 4.320 -0.001 0.000 0.290 735 A C 0.999 178.306 177.584 -0.462 0.000 1.201 735 A CA 0.410 52.376 52.037 -0.119 0.000 0.863 735 A CB 0.267 19.151 19.000 -0.194 0.000 1.256 735 A HN 0.853 nan 8.150 nan 0.000 0.506 736 A N -0.789 121.632 122.820 -0.665 0.000 1.855 736 A HA 0.011 4.331 4.320 -0.001 0.000 0.215 736 A C 0.689 178.070 177.584 -0.339 0.000 1.191 736 A CA 1.584 53.275 52.037 -0.577 0.000 0.613 736 A CB -0.582 18.102 19.000 -0.526 0.000 0.829 736 A HN 0.651 nan 8.150 nan 0.000 0.442 737 D N 0.892 121.116 120.400 -0.293 0.000 2.608 737 D HA 0.444 5.083 4.640 -0.001 0.000 0.224 737 D C -0.339 175.861 176.300 -0.166 0.000 1.123 737 D CA 0.474 54.352 54.000 -0.202 0.000 1.030 737 D CB 0.005 40.699 40.800 -0.177 0.000 1.093 737 D HN 0.342 nan 8.370 nan 0.000 0.497 738 A N 2.242 124.959 122.820 -0.170 0.000 2.444 738 A HA 0.180 4.500 4.320 -0.001 0.000 0.332 738 A C 0.574 178.044 177.584 -0.189 0.000 1.430 738 A CA -0.694 51.262 52.037 -0.135 0.000 0.975 738 A CB 0.433 19.320 19.000 -0.189 0.000 1.147 738 A HN 0.088 nan 8.150 nan 0.000 0.524 739 Q N 2.227 121.928 119.800 -0.166 0.000 2.945 739 Q HA 0.069 4.409 4.340 -0.001 0.000 0.323 739 Q C 0.867 176.365 176.000 -0.836 0.000 1.188 739 Q CA 0.001 55.542 55.803 -0.437 0.000 0.929 739 Q CB -0.221 28.282 28.738 -0.392 0.000 1.531 739 Q HN 0.768 nan 8.270 nan 0.000 0.444 740 R N -0.265 119.913 120.500 -0.536 0.000 2.261 740 R HA -0.137 4.202 4.340 -0.001 0.000 0.236 740 R C -0.121 175.904 176.300 -0.459 0.000 1.141 740 R CA 0.977 56.740 56.100 -0.562 0.000 1.001 740 R CB 0.063 29.853 30.300 -0.851 0.000 0.866 740 R HN 0.243 nan 8.270 nan 0.000 0.468 741 Y N 0.016 120.105 120.300 -0.352 0.000 2.594 741 Y HA 0.220 4.769 4.550 -0.001 0.000 0.342 741 Y C -0.552 175.183 175.900 -0.275 0.000 1.010 741 Y CA -0.984 57.000 58.100 -0.194 0.000 1.270 741 Y CB 0.167 38.553 38.460 -0.124 0.000 1.125 741 Y HN -0.200 nan 8.280 nan 0.000 0.513 742 F N 1.095 121.221 119.950 0.293 0.000 2.444 742 F HA 0.558 5.084 4.527 -0.001 0.000 0.342 742 F C 0.338 176.245 175.800 0.178 0.000 1.121 742 F CA -0.935 57.188 58.000 0.204 0.000 0.997 742 F CB 1.778 40.877 39.000 0.165 0.000 1.130 742 F HN 0.124 nan 8.300 nan 0.000 0.454 743 T N 2.461 117.221 114.554 0.343 0.000 2.863 743 T HA 0.839 5.189 4.350 -0.001 0.000 0.285 743 T C -0.800 174.033 174.700 0.222 0.000 1.009 743 T CA -0.762 61.487 62.100 0.249 0.000 0.989 743 T CB 1.800 70.784 68.868 0.195 0.000 1.004 743 T HN 0.687 nan 8.240 nan 0.000 0.455 744 A N 2.006 124.960 122.820 0.223 0.000 2.386 744 A HA 0.842 5.162 4.320 -0.001 0.000 0.311 744 A C 0.017 177.859 177.584 0.430 0.000 1.068 744 A CA -0.853 51.325 52.037 0.235 0.000 0.743 744 A CB 1.285 20.322 19.000 0.063 0.000 1.258 744 A HN 0.882 nan 8.150 nan 0.000 0.429 745 S N 1.163 117.108 115.700 0.408 0.000 2.608 745 S HA 0.763 5.232 4.470 -0.001 0.000 0.291 745 S C -0.586 174.166 174.600 0.254 0.000 1.146 745 S CA -0.655 57.730 58.200 0.308 0.000 1.043 745 S CB 1.324 64.635 63.200 0.186 0.000 1.037 745 S HN 0.958 nan 8.310 nan 0.000 0.520 746 L N 2.431 123.557 121.223 -0.163 0.000 2.342 746 L HA 0.537 4.877 4.340 -0.001 0.000 0.276 746 L C -2.780 173.956 176.870 -0.223 0.000 0.997 746 L CA -2.372 52.193 54.840 -0.458 0.000 0.838 746 L CB 2.198 43.550 42.059 -1.177 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 0.277 747 P C -1.249 176.034 177.300 -0.028 0.000 1.271 747 P CA -0.154 62.997 63.100 0.084 0.000 0.795 747 P CB 0.687 32.441 31.700 0.090 0.000 1.101 748 F N -1.612 118.325 119.950 -0.021 0.000 2.598 748 F HA 0.339 4.865 4.527 -0.001 0.000 0.327 748 F C 0.933 176.709 175.800 -0.041 0.000 1.057 748 F CA -0.971 57.030 58.000 0.003 0.000 0.957 748 F CB 0.800 39.853 39.000 0.089 0.000 1.278 748 F HN 0.235 nan 8.300 nan 0.000 0.484 749 E N 2.151 122.414 120.200 0.106 0.000 1.814 749 E HA 0.078 4.428 4.350 -0.001 0.000 0.264 749 E C -0.484 176.022 176.600 -0.157 0.000 1.179 749 E CA -0.553 55.823 56.400 -0.039 0.000 0.972 749 E CB 0.211 29.856 29.700 -0.091 0.000 1.077 749 E HN 0.383 nan 8.360 nan 0.000 0.417 750 K N 3.587 123.923 120.400 -0.108 0.000 2.484 750 K HA -0.026 4.294 4.320 -0.001 0.000 0.280 750 K C -0.636 175.845 176.600 -0.198 0.000 1.013 750 K CA -0.103 56.073 56.287 -0.184 0.000 1.029 750 K CB 0.192 32.549 32.500 -0.238 0.000 0.902 750 K HN 0.325 nan 8.250 nan 0.000 0.481 751 N N 3.602 122.147 118.700 -0.258 0.000 2.412 751 N HA -0.050 4.690 4.740 -0.001 0.000 0.279 751 N C 0.003 175.486 175.510 -0.045 0.000 1.287 751 N CA 0.016 52.957 53.050 -0.182 0.000 0.948 751 N CB -0.222 38.175 38.487 -0.149 0.000 1.255 751 N HN 0.625 nan 8.380 nan 0.000 0.485 752 c N 1.405 120.001 118.600 -0.007 0.000 2.271 752 c HA 0.682 5.251 4.570 -0.001 0.000 0.364 752 c C 0.919 175.055 174.090 0.077 0.000 1.337 752 c CA -0.053 56.319 56.329 0.072 0.000 1.753 752 c CB -1.706 40.882 42.510 0.129 0.000 2.123 752 c HN 0.752 nan 8.230 nan 0.000 0.577 753 G N -0.307 108.512 108.800 0.032 0.000 2.462 753 G HA2 0.373 4.333 3.960 -0.001 0.000 0.685 753 G HA3 0.373 4.333 3.960 -0.001 0.000 0.685 753 G C 0.387 175.299 174.900 0.019 0.000 1.295 753 G CA -0.378 44.738 45.100 0.026 0.000 0.941 753 G HN 1.391 nan 8.290 nan 0.000 0.554 754 A N -0.259 122.572 122.820 0.019 0.000 2.239 754 A HA 0.454 4.774 4.320 -0.001 0.000 0.209 754 A C 1.093 178.689 177.584 0.021 0.000 1.171 754 A CA 2.450 54.496 52.037 0.015 0.000 0.768 754 A CB -0.632 18.377 19.000 0.014 0.000 0.790 754 A HN 1.838 nan 8.150 nan 0.000 0.478 755 D N -5.812 114.613 120.400 0.043 0.000 3.734 755 D HA 0.232 4.872 4.640 -0.001 0.000 0.350 755 D C 0.324 176.703 176.300 0.130 0.000 1.511 755 D CA 0.250 54.284 54.000 0.056 0.000 0.956 755 D CB -0.074 40.756 40.800 0.049 0.000 1.470 755 D HN 0.231 nan 8.370 nan 0.000 0.598 756 H N -1.428 117.634 119.070 -0.013 0.000 4.089 756 H HA -0.204 4.352 4.556 -0.001 0.000 0.142 756 H C 1.048 176.368 175.328 -0.012 0.000 0.778 756 H CA 1.756 57.797 56.048 -0.011 0.000 1.258 756 H CB -1.047 28.709 29.762 -0.009 0.000 0.810 756 H HN 0.835 nan 8.280 nan 0.000 0.487 757 I N -1.608 118.898 120.570 -0.106 0.000 4.063 757 I HA -0.373 3.797 4.170 -0.001 0.000 0.156 757 I C 0.597 176.623 176.117 -0.152 0.000 1.137 757 I CA 1.466 62.684 61.300 -0.136 0.000 1.255 757 I CB -1.827 36.084 38.000 -0.148 0.000 1.568 757 I HN 0.968 nan 8.210 nan 0.000 0.223 758 c N 1.812 120.295 118.600 -0.194 0.000 3.234 758 c HA -0.131 4.438 4.570 -0.001 0.000 0.291 758 c C 0.610 174.647 174.090 -0.088 0.000 1.089 758 c CA 0.200 56.487 56.329 -0.071 0.000 2.493 758 c CB -2.264 40.238 42.510 -0.013 0.000 1.512 758 c HN 0.565 nan 8.230 nan 0.000 0.495 759 Q N 1.152 120.875 119.800 -0.129 0.000 2.294 759 Q HA 0.247 4.586 4.340 -0.001 0.000 0.257 759 Q C 0.092 176.084 176.000 -0.012 0.000 0.955 759 Q CA 0.252 56.010 55.803 -0.075 0.000 0.936 759 Q CB 1.082 29.762 28.738 -0.097 0.000 1.188 759 Q HN 0.526 nan 8.270 nan 0.000 0.420 760 D N 2.768 123.169 120.400 0.003 0.000 2.393 760 D HA 0.108 4.748 4.640 -0.001 0.000 0.232 760 D C -0.432 175.885 176.300 0.028 0.000 1.192 760 D CA 0.015 54.032 54.000 0.028 0.000 0.882 760 D CB 0.258 41.082 40.800 0.039 0.000 1.038 760 D HN 0.268 nan 8.370 nan 0.000 0.499 761 N N 3.589 122.306 118.700 0.028 0.000 2.531 761 N HA 0.361 5.101 4.740 -0.001 0.000 0.268 761 N C -1.607 173.939 175.510 0.061 0.000 1.023 761 N CA -0.398 52.671 53.050 0.032 0.000 0.896 761 N CB 0.577 39.070 38.487 0.009 0.000 1.233 761 N HN 0.208 nan 8.380 nan 0.000 0.512 762 L N 1.497 122.782 121.223 0.104 0.000 2.431 762 L HA 0.799 5.138 4.340 -0.001 0.000 0.266 762 L C 0.692 177.696 176.870 0.224 0.000 0.978 762 L CA -1.118 53.831 54.840 0.182 0.000 0.822 762 L CB 2.279 44.460 42.059 0.202 0.000 1.310 762 L HN 0.478 nan 8.230 nan 0.000 0.409 763 G N 1.561 110.588 108.800 0.379 0.000 2.735 763 G HA2 0.882 4.841 3.960 -0.001 0.000 0.301 763 G HA3 0.882 4.841 3.960 -0.001 0.000 0.301 763 G C -1.529 173.689 174.900 0.529 0.000 1.279 763 G CA -0.625 44.778 45.100 0.506 0.000 1.019 763 G HN 0.604 nan 8.290 nan 0.000 0.497 764 I N -1.217 119.620 120.570 0.444 0.000 2.828 764 I HA 0.645 4.814 4.170 -0.001 0.000 0.295 764 I C -1.476 174.497 176.117 -0.239 0.000 1.459 764 I CA -0.582 60.709 61.300 -0.015 0.000 1.015 764 I CB 2.176 40.203 38.000 0.045 0.000 1.345 764 I HN 0.727 nan 8.210 nan 0.000 0.449 765 S N 5.716 121.033 115.700 -0.637 0.000 2.563 765 S HA 0.722 5.191 4.470 -0.001 0.000 0.279 765 S C -1.488 172.637 174.600 -0.793 0.000 1.155 765 S CA -0.523 56.979 58.200 -1.163 0.000 0.928 765 S CB 0.985 63.700 63.200 -0.808 0.000 1.107 765 S HN 0.638 nan 8.310 nan 0.000 0.462 766 F N 1.810 121.320 119.950 -0.732 0.000 2.620 766 F HA 0.961 5.488 4.527 -0.000 0.000 0.320 766 F C -0.174 175.465 175.800 -0.267 0.000 1.069 766 F CA -0.603 57.173 58.000 -0.373 0.000 0.953 766 F CB 1.237 40.100 39.000 -0.228 0.000 1.322 766 F HN 0.617 nan 8.300 nan 0.000 0.479 767 S N -0.095 115.583 115.700 -0.037 0.000 2.776 767 S HA 0.811 5.280 4.470 -0.001 0.000 0.292 767 S C -1.857 172.505 174.600 -0.397 0.000 1.187 767 S CA -0.776 57.339 58.200 -0.141 0.000 0.834 767 S CB 1.774 64.940 63.200 -0.056 0.000 1.199 767 S HN 0.552 nan 8.310 nan 0.000 0.514 768 F N 1.341 121.363 119.950 0.119 0.000 2.610 768 F HA 0.511 5.037 4.527 -0.001 0.000 0.355 768 F C -2.740 173.081 175.800 0.036 0.000 1.140 768 F CA -1.905 56.134 58.000 0.065 0.000 1.037 768 F CB 1.465 40.502 39.000 0.061 0.000 1.287 768 F HN 0.288 nan 8.300 nan 0.000 0.457 769 P HA 0.284 nan 4.420 nan 0.000 0.269 769 P C 0.863 178.217 177.300 0.089 0.000 1.252 769 P CA 0.561 63.718 63.100 0.095 0.000 0.780 769 P CB 0.705 32.437 31.700 0.054 0.000 0.829 770 G N 2.787 111.631 108.800 0.074 0.000 2.234 770 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 770 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 770 G C 0.071 174.997 174.900 0.043 0.000 0.987 770 G CA -0.137 44.993 45.100 0.049 0.000 0.625 770 G HN 0.598 nan 8.290 nan 0.000 0.532 771 L N 1.928 123.189 121.223 0.063 0.000 2.700 771 L HA 0.408 4.747 4.340 -0.001 0.000 0.272 771 L C 0.871 177.743 176.870 0.004 0.000 1.176 771 L CA 0.776 55.627 54.840 0.018 0.000 0.961 771 L CB -0.005 42.052 42.059 -0.002 0.000 1.249 771 L HN 0.404 nan 8.230 nan 0.000 0.487 772 K N 3.396 123.788 120.400 -0.013 0.000 2.473 772 K HA 0.505 4.824 4.320 -0.001 0.000 0.246 772 K C 0.516 177.100 176.600 -0.028 0.000 1.011 772 K CA -0.007 56.273 56.287 -0.011 0.000 0.984 772 K CB 1.107 33.605 32.500 -0.003 0.000 1.250 772 K HN 0.598 nan 8.250 nan 0.000 0.454 773 S N 2.234 117.913 115.700 -0.035 0.000 1.466 773 S HA -0.232 4.238 4.470 -0.001 0.000 0.244 773 S C -0.035 174.518 174.600 -0.078 0.000 0.723 773 S CA 1.108 59.282 58.200 -0.044 0.000 1.234 773 S CB -1.334 61.850 63.200 -0.027 0.000 1.451 773 S HN 1.563 nan 8.310 nan 0.000 0.507 774 L N 0.684 121.854 121.223 -0.088 0.000 3.295 774 L HA -0.063 4.276 4.340 -0.001 0.000 0.686 774 L C -0.618 176.163 176.870 -0.148 0.000 1.088 774 L CA 1.459 56.224 54.840 -0.126 0.000 1.255 774 L CB -1.582 40.375 42.059 -0.171 0.000 1.713 774 L HN 0.896 nan 8.230 nan 0.000 0.868 775 L N 2.444 123.598 121.223 -0.116 0.000 2.331 775 L HA 0.914 5.254 4.340 -0.001 0.000 0.275 775 L C 0.115 176.917 176.870 -0.113 0.000 1.022 775 L CA -0.813 53.946 54.840 -0.136 0.000 0.812 775 L CB 1.633 43.668 42.059 -0.040 0.000 1.257 775 L HN 0.070 nan 8.230 nan 0.000 0.435 776 V N 3.553 123.379 119.914 -0.147 0.000 2.387 776 V HA 0.609 4.729 4.120 -0.001 0.000 0.260 776 V C 0.994 177.123 176.094 0.059 0.000 1.054 776 V CA 0.989 63.268 62.300 -0.035 0.000 0.967 776 V CB -0.610 31.236 31.823 0.038 0.000 1.036 776 V HN 1.214 nan 8.190 nan 0.000 0.481 777 G N 4.063 112.886 108.800 0.038 0.000 3.826 777 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.194 777 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.194 777 G C 0.391 175.307 174.900 0.025 0.000 2.087 777 G CA 0.158 45.287 45.100 0.049 0.000 1.230 777 G HN 0.585 nan 8.290 nan 0.000 0.393 778 S N 0.705 116.415 115.700 0.018 0.000 2.634 778 S HA 0.464 4.934 4.470 -0.001 0.000 0.261 778 S C 0.507 175.098 174.600 -0.015 0.000 1.271 778 S CA 0.360 58.562 58.200 0.003 0.000 0.985 778 S CB 0.245 63.448 63.200 0.005 0.000 0.968 778 S HN 0.877 nan 8.310 nan 0.000 0.568 779 N N 0.098 118.785 118.700 -0.022 0.000 2.642 779 N HA -0.179 4.560 4.740 -0.001 0.000 0.269 779 N C 0.165 175.654 175.510 -0.035 0.000 1.073 779 N CA 0.287 53.314 53.050 -0.037 0.000 0.748 779 N CB -1.134 37.317 38.487 -0.060 0.000 0.894 779 N HN 0.494 nan 8.380 nan 0.000 0.548 780 L N 0.491 121.703 121.223 -0.020 0.000 2.034 780 L HA -0.031 4.309 4.340 -0.001 0.000 0.203 780 L C 1.354 178.216 176.870 -0.013 0.000 1.074 780 L CA 0.951 55.785 54.840 -0.011 0.000 0.748 780 L CB 0.053 42.110 42.059 -0.002 0.000 0.905 780 L HN 0.463 nan 8.230 nan 0.000 0.439 781 E N 0.840 121.030 120.200 -0.017 0.000 2.354 781 E HA 0.245 4.594 4.350 -0.001 0.000 0.269 781 E C -0.921 175.670 176.600 -0.015 0.000 1.036 781 E CA -0.524 55.866 56.400 -0.016 0.000 0.876 781 E CB 1.332 31.017 29.700 -0.026 0.000 1.009 781 E HN 0.107 nan 8.360 nan 0.000 0.416 782 L N 3.728 124.957 121.223 0.011 0.000 2.345 782 L HA 0.345 4.684 4.340 -0.001 0.000 0.274 782 L C -1.483 175.447 176.870 0.099 0.000 0.999 782 L CA -0.749 54.091 54.840 0.001 0.000 0.849 782 L CB 1.169 43.193 42.059 -0.057 0.000 1.220 782 L HN 0.506 nan 8.230 nan 0.000 0.422 783 N N 4.392 123.156 118.700 0.106 0.000 2.411 783 N HA 0.521 5.261 4.740 -0.001 0.000 0.259 783 N C -0.440 175.240 175.510 0.284 0.000 1.103 783 N CA -0.074 53.062 53.050 0.143 0.000 0.954 783 N CB 1.601 40.137 38.487 0.083 0.000 1.085 783 N HN 0.643 nan 8.380 nan 0.000 0.485 784 A N 1.998 124.927 122.820 0.181 0.000 2.287 784 A HA 0.284 4.603 4.320 -0.001 0.000 0.317 784 A C 0.040 177.530 177.584 -0.157 0.000 1.220 784 A CA -0.739 51.290 52.037 -0.014 0.000 0.835 784 A CB 0.587 19.511 19.000 -0.127 0.000 1.180 784 A HN 0.634 nan 8.150 nan 0.000 0.500 785 E N 2.919 123.005 120.200 -0.189 0.000 2.028 785 E HA 0.387 4.737 4.350 -0.001 0.000 0.266 785 E C -1.290 175.163 176.600 -0.245 0.000 0.962 785 E CA -0.254 56.027 56.400 -0.199 0.000 0.784 785 E CB 0.960 30.587 29.700 -0.122 0.000 1.114 785 E HN 0.463 nan 8.360 nan 0.000 0.414 786 V N 6.263 125.941 119.914 -0.394 0.000 2.407 786 V HA 0.384 4.504 4.120 -0.001 0.000 0.278 786 V C -0.262 175.569 176.094 -0.438 0.000 1.037 786 V CA -0.425 61.657 62.300 -0.364 0.000 0.900 786 V CB 1.390 32.965 31.823 -0.412 0.000 0.983 786 V HN 0.809 nan 8.190 nan 0.000 0.459 787 M N 6.619 125.992 119.600 -0.378 0.000 2.573 787 M HA 0.768 5.248 4.480 -0.001 0.000 0.309 787 M C -1.430 174.538 176.300 -0.554 0.000 1.202 787 M CA -0.424 54.612 55.300 -0.439 0.000 0.975 787 M CB 1.951 34.264 32.600 -0.478 0.000 1.600 787 M HN 0.567 nan 8.290 nan 0.000 0.479 788 V N 2.942 122.511 119.914 -0.575 0.000 3.077 788 V HA 0.540 4.660 4.120 -0.001 0.000 0.299 788 V C -1.878 174.046 176.094 -0.284 0.000 1.276 788 V CA -0.528 61.497 62.300 -0.459 0.000 0.993 788 V CB 2.378 34.112 31.823 -0.149 0.000 1.076 788 V HN 0.939 nan 8.190 nan 0.000 0.434 789 W N 2.732 124.157 121.300 0.208 0.000 2.594 789 W HA 0.556 5.216 4.660 -0.000 0.000 0.365 789 W C -0.060 176.568 176.519 0.181 0.000 1.196 789 W CA -0.659 56.801 57.345 0.192 0.000 1.258 789 W CB 1.593 31.090 29.460 0.063 0.000 1.405 789 W HN 0.649 nan 8.180 nan 0.000 0.640 790 N N 0.946 119.752 118.700 0.177 0.000 2.732 790 N HA 0.068 4.808 4.740 -0.001 0.000 0.235 790 N C -0.757 174.699 175.510 -0.090 0.000 1.466 790 N CA 0.000 52.960 53.050 -0.150 0.000 0.751 790 N CB -0.100 37.860 38.487 -0.878 0.000 1.317 790 N HN 0.097 nan 8.380 nan 0.000 0.525 791 D N -0.005 120.395 120.400 0.000 0.000 2.325 791 D HA 0.243 4.883 4.640 -0.001 0.000 0.234 791 D C 0.801 177.087 176.300 -0.024 0.000 1.122 791 D CA 0.445 54.430 54.000 -0.024 0.000 0.850 791 D CB 0.391 41.164 40.800 -0.044 0.000 0.921 791 D HN 0.566 nan 8.370 nan 0.000 0.513 792 G N -0.460 108.323 108.800 -0.027 0.000 3.086 792 G HA2 0.329 4.289 3.960 -0.001 0.000 0.282 792 G HA3 0.329 4.289 3.960 -0.001 0.000 0.282 792 G C -0.703 174.197 174.900 -0.001 0.000 1.343 792 G CA -0.569 44.531 45.100 -0.002 0.000 0.895 792 G HN -0.080 nan 8.290 nan 0.000 0.557 793 E N 0.308 120.536 120.200 0.047 0.000 2.537 793 E HA 0.047 4.397 4.350 -0.001 0.000 0.269 793 E C -0.309 176.303 176.600 0.020 0.000 1.038 793 E CA 0.132 56.576 56.400 0.073 0.000 0.977 793 E CB 0.256 30.018 29.700 0.104 0.000 0.973 793 E HN 0.258 nan 8.360 nan 0.000 0.456 794 D N 1.766 122.174 120.400 0.015 0.000 2.472 794 D HA 0.018 4.657 4.640 -0.001 0.000 0.248 794 D C -0.524 175.794 176.300 0.030 0.000 1.174 794 D CA 0.340 54.300 54.000 -0.066 0.000 0.883 794 D CB 0.230 40.947 40.800 -0.139 0.000 1.149 794 D HN 0.356 nan 8.370 nan 0.000 0.488 795 S N 2.194 117.896 115.700 0.003 0.000 2.475 795 S HA 0.290 4.759 4.470 -0.001 0.000 0.281 795 S C 0.313 174.971 174.600 0.098 0.000 1.198 795 S CA -0.542 57.736 58.200 0.131 0.000 1.063 795 S CB 0.870 64.174 63.200 0.173 0.000 0.972 795 S HN 0.340 nan 8.310 nan 0.000 0.486 796 Y N 3.256 123.612 120.300 0.093 0.000 2.254 796 Y HA 0.348 4.898 4.550 -0.001 0.000 0.274 796 Y C 2.422 178.369 175.900 0.079 0.000 1.093 796 Y CA 0.968 59.118 58.100 0.085 0.000 1.105 796 Y CB -0.727 37.773 38.460 0.066 0.000 1.041 796 Y HN 0.799 nan 8.280 nan 0.000 0.489 797 G N 0.143 109.098 108.800 0.257 0.000 3.452 797 G HA2 0.022 3.982 3.960 -0.001 0.000 0.258 797 G HA3 0.022 3.982 3.960 -0.001 0.000 0.258 797 G C 0.132 175.096 174.900 0.107 0.000 1.305 797 G CA -0.016 45.175 45.100 0.152 0.000 1.514 797 G HN 0.166 nan 8.290 nan 0.000 0.593 798 T N 1.299 115.917 114.554 0.107 0.000 2.849 798 T HA 0.279 4.628 4.350 -0.001 0.000 0.289 798 T C 0.890 175.599 174.700 0.015 0.000 1.010 798 T CA 0.777 62.926 62.100 0.083 0.000 1.161 798 T CB 0.061 68.999 68.868 0.118 0.000 0.989 798 T HN 0.446 nan 8.240 nan 0.000 0.523 799 T N 3.376 117.940 114.554 0.017 0.000 2.888 799 T HA 0.665 5.015 4.350 -0.001 0.000 0.284 799 T C -0.645 174.028 174.700 -0.044 0.000 1.017 799 T CA -1.074 61.014 62.100 -0.020 0.000 1.022 799 T CB 1.467 70.339 68.868 0.006 0.000 1.013 799 T HN 0.519 nan 8.240 nan 0.000 0.465 800 I N 2.981 123.495 120.570 -0.092 0.000 2.468 800 I HA 0.517 4.687 4.170 -0.001 0.000 0.284 800 I C -0.231 175.733 176.117 -0.256 0.000 1.038 800 I CA -0.276 60.929 61.300 -0.158 0.000 1.083 800 I CB 1.680 39.609 38.000 -0.117 0.000 1.223 800 I HN 1.049 nan 8.210 nan 0.000 0.443 801 T N 3.924 118.315 114.554 -0.271 0.000 2.823 801 T HA 0.716 5.066 4.350 -0.001 0.000 0.279 801 T C -0.517 174.005 174.700 -0.296 0.000 0.998 801 T CA -0.408 61.579 62.100 -0.189 0.000 0.994 801 T CB 0.813 69.655 68.868 -0.043 0.000 0.960 801 T HN 0.230 nan 8.240 nan 0.000 0.448 802 F N 1.572 121.587 119.950 0.109 0.000 2.470 802 F HA 0.633 5.160 4.527 -0.001 0.000 0.329 802 F C 0.923 176.782 175.800 0.098 0.000 1.072 802 F CA -0.865 57.202 58.000 0.112 0.000 0.989 802 F CB 2.155 41.225 39.000 0.117 0.000 1.193 802 F HN 0.789 nan 8.300 nan 0.000 0.481 803 S N 1.113 116.980 115.700 0.277 0.000 2.449 803 S HA 0.730 5.200 4.470 -0.001 0.000 0.310 803 S C -1.227 173.469 174.600 0.159 0.000 1.096 803 S CA -0.510 57.773 58.200 0.137 0.000 1.095 803 S CB 0.544 63.811 63.200 0.113 0.000 1.007 803 S HN 0.809 nan 8.310 nan 0.000 0.474 804 H N 0.353 119.504 119.070 0.136 0.000 3.016 804 H HA 0.765 5.320 4.556 -0.001 0.000 0.362 804 H C -3.321 172.178 175.328 0.285 0.000 1.233 804 H CA -2.143 53.975 56.048 0.116 0.000 1.124 804 H CB 0.686 30.427 29.762 -0.034 0.000 1.850 804 H HN 0.396 nan 8.280 nan 0.000 0.549 805 P HA 0.036 nan 4.420 nan 0.000 0.272 805 P C 0.579 178.170 177.300 0.485 0.000 1.223 805 P CA 0.162 63.441 63.100 0.299 0.000 0.784 805 P CB 0.977 32.789 31.700 0.187 0.000 0.923 806 A N 3.002 125.953 122.820 0.218 0.000 2.084 806 A HA -0.123 4.197 4.320 -0.001 0.000 0.221 806 A C 2.029 179.827 177.584 0.357 0.000 1.161 806 A CA 1.889 53.976 52.037 0.084 0.000 0.653 806 A CB -1.677 17.157 19.000 -0.277 0.000 0.802 806 A HN 0.683 nan 8.150 nan 0.000 0.457 807 G N -0.679 108.293 108.800 0.287 0.000 3.295 807 G HA2 0.401 4.360 3.960 -0.001 0.000 0.231 807 G HA3 0.401 4.360 3.960 -0.001 0.000 0.231 807 G C 0.015 175.056 174.900 0.235 0.000 1.277 807 G CA 0.715 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 -4.750 116.680 121.223 0.345 0.000 2.866 808 L HA 0.811 5.151 4.340 -0.001 0.000 0.262 808 L C -0.741 176.244 176.870 0.192 0.000 0.986 808 L CA -0.985 53.986 54.840 0.218 0.000 0.925 808 L CB 1.134 43.252 42.059 0.098 0.000 1.484 808 L HN -0.161 nan 8.230 nan 0.000 0.414 809 S N -0.752 115.028 115.700 0.133 0.000 2.638 809 S HA 0.588 5.057 4.470 -0.001 0.000 0.274 809 S C -1.749 172.787 174.600 -0.105 0.000 1.157 809 S CA -0.660 57.555 58.200 0.025 0.000 0.826 809 S CB 1.441 64.670 63.200 0.049 0.000 1.139 809 S HN 0.794 nan 8.310 nan 0.000 0.474 810 Y N 2.883 122.911 120.300 -0.454 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 -0.351 57.294 58.100 -0.758 0.000 1.280 810 Y CB 0.535 38.531 38.460 -0.773 0.000 1.234 810 Y HN 0.667 nan 8.280 nan 0.000 0.512 811 R N 5.305 125.130 120.500 -1.125 0.000 2.561 811 R HA 0.297 4.636 4.340 -0.001 0.000 0.297 811 R C -1.848 173.771 176.300 -1.135 0.000 0.969 811 R CA -0.939 54.651 56.100 -0.849 0.000 0.879 811 R CB 0.865 30.922 30.300 -0.405 0.000 1.178 811 R HN 0.708 nan 8.270 nan 0.000 0.445 812 Y N 3.135 122.952 120.300 -0.806 0.000 2.811 812 Y HA -0.076 4.474 4.550 -0.001 0.000 0.334 812 Y C 0.875 176.607 175.900 -0.279 0.000 1.247 812 Y CA 0.466 58.303 58.100 -0.439 0.000 1.526 812 Y CB 0.927 39.280 38.460 -0.177 0.000 1.284 812 Y HN 0.533 nan 8.280 nan 0.000 0.586 813 V N 4.980 124.478 119.914 -0.693 0.000 2.379 813 V HA -0.024 4.095 4.120 -0.001 0.000 0.243 813 V C 1.362 177.210 176.094 -0.411 0.000 1.035 813 V CA 1.066 63.098 62.300 -0.447 0.000 1.035 813 V CB -1.397 30.238 31.823 -0.313 0.000 0.673 813 V HN 1.159 nan 8.190 nan 0.000 0.457 814 A N 0.564 122.941 122.820 -0.740 0.000 2.610 814 A HA -0.209 4.111 4.320 -0.001 0.000 0.299 814 A C 0.311 177.859 177.584 -0.061 0.000 1.487 814 A CA 0.764 52.707 52.037 -0.157 0.000 0.743 814 A CB -1.651 17.501 19.000 0.254 0.000 1.070 814 A HN 0.533 nan 8.150 nan 0.000 0.439 815 E N -1.517 118.624 120.200 -0.099 0.000 2.227 815 E HA 0.631 4.981 4.350 -0.001 0.000 0.268 815 E C 1.171 177.765 176.600 -0.011 0.000 0.990 815 E CA 0.384 56.756 56.400 -0.046 0.000 0.856 815 E CB 1.672 31.336 29.700 -0.059 0.000 1.159 815 E HN 0.864 nan 8.360 nan 0.000 0.401 816 G N 0.554 109.354 108.800 -0.001 0.000 2.937 816 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.162 816 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.162 816 G C 0.436 175.341 174.900 0.009 0.000 1.352 816 G CA -0.051 45.056 45.100 0.012 0.000 0.843 816 G HN 0.383 nan 8.290 nan 0.000 0.965 817 Q N 0.769 120.571 119.800 0.003 0.000 2.366 817 Q HA 0.275 4.615 4.340 -0.001 0.000 0.356 817 Q C -0.580 175.421 176.000 0.001 0.000 0.866 817 Q CA -0.159 55.647 55.803 0.004 0.000 1.109 817 Q CB 0.462 29.202 28.738 0.004 0.000 1.361 817 Q HN 0.560 nan 8.270 nan 0.000 0.404 818 K N -0.239 120.162 120.400 0.001 0.000 2.499 818 K HA 0.623 4.943 4.320 -0.001 0.000 0.277 818 K C -1.219 175.381 176.600 0.000 0.000 1.025 818 K CA -0.985 55.303 56.287 0.002 0.000 0.900 818 K CB 1.739 34.242 32.500 0.005 0.000 1.494 818 K HN 0.082 nan 8.250 nan 0.000 0.442 819 Q N -0.842 118.959 119.800 0.001 0.000 2.852 819 Q HA 0.422 4.762 4.340 -0.001 0.000 0.250 819 Q C -1.276 174.724 176.000 0.002 0.000 0.988 819 Q CA -0.852 54.950 55.803 -0.001 0.000 0.905 819 Q CB 0.977 29.712 28.738 -0.005 0.000 1.896 819 Q HN 0.837 nan 8.270 nan 0.000 0.464 820 G N 0.850 109.651 108.800 0.002 0.000 3.038 820 G HA2 0.171 4.130 3.960 -0.001 0.000 0.168 820 G HA3 0.171 4.130 3.960 -0.001 0.000 0.168 820 G C -0.667 174.234 174.900 0.002 0.000 1.559 820 G CA -0.151 44.949 45.100 -0.000 0.000 0.990 820 G HN 0.420 nan 8.290 nan 0.000 0.765 821 Q N 0.344 120.144 119.800 -0.000 0.000 2.324 821 Q HA 0.603 4.943 4.340 -0.001 0.000 0.373 821 Q C -0.782 175.218 176.000 0.000 0.000 0.909 821 Q CA -0.158 55.645 55.803 0.002 0.000 1.135 821 Q CB 1.431 30.169 28.738 0.000 0.000 1.313 821 Q HN 0.283 nan 8.270 nan 0.000 0.417 822 L N -0.840 120.385 121.223 0.003 0.000 2.223 822 L HA 0.531 4.871 4.340 -0.001 0.000 0.243 822 L C -0.855 176.023 176.870 0.013 0.000 1.105 822 L CA -1.236 53.605 54.840 0.002 0.000 0.943 822 L CB 1.319 43.375 42.059 -0.004 0.000 1.542 822 L HN 0.191 nan 8.230 nan 0.000 0.437 823 R N 0.172 120.686 120.500 0.022 0.000 2.538 823 R HA 0.080 4.420 4.340 -0.001 0.000 0.273 823 R C -0.561 175.754 176.300 0.025 0.000 0.967 823 R CA 1.553 57.678 56.100 0.042 0.000 1.101 823 R CB 0.124 30.458 30.300 0.056 0.000 0.908 823 R HN 0.624 nan 8.270 nan 0.000 0.411 824 S N 3.625 119.340 115.700 0.026 0.000 2.993 824 S HA 0.160 4.629 4.470 -0.001 0.000 0.257 824 S C -1.177 173.449 174.600 0.045 0.000 0.997 824 S CA -0.585 57.634 58.200 0.032 0.000 1.191 824 S CB 0.471 63.686 63.200 0.025 0.000 1.143 824 S HN 0.511 nan 8.310 nan 0.000 0.655 825 L N 3.248 124.490 121.223 0.032 0.000 2.319 825 L HA 0.482 4.822 4.340 -0.001 0.000 0.281 825 L C -0.533 176.360 176.870 0.040 0.000 1.005 825 L CA -0.346 54.486 54.840 -0.012 0.000 0.828 825 L CB 0.685 42.684 42.059 -0.100 0.000 1.227 825 L HN 0.221 nan 8.230 nan 0.000 0.415 826 H N 6.416 125.467 119.070 -0.032 0.000 2.864 826 H HA 0.484 5.039 4.556 -0.001 0.000 0.281 826 H C -1.388 173.891 175.328 -0.082 0.000 1.093 826 H CA -0.258 55.818 56.048 0.046 0.000 1.453 826 H CB 0.686 30.566 29.762 0.197 0.000 1.462 826 H HN 0.631 nan 8.280 nan 0.000 0.480 827 L N 2.692 123.730 121.223 -0.308 0.000 2.409 827 L HA 0.497 4.836 4.340 -0.001 0.000 0.262 827 L C -0.510 176.221 176.870 -0.232 0.000 0.992 827 L CA -0.863 53.827 54.840 -0.250 0.000 0.817 827 L CB 1.923 43.804 42.059 -0.296 0.000 1.350 827 L HN 0.253 nan 8.230 nan 0.000 0.411 828 T N 1.292 115.763 114.554 -0.137 0.000 2.767 828 T HA 0.621 4.970 4.350 -0.001 0.000 0.284 828 T C -0.686 173.988 174.700 -0.044 0.000 0.973 828 T CA -0.173 61.885 62.100 -0.069 0.000 0.996 828 T CB 0.592 69.462 68.868 0.003 0.000 0.927 828 T HN 0.754 nan 8.240 nan 0.000 0.456 829 c N 3.165 121.762 118.600 -0.005 0.000 2.455 829 c HA 0.685 5.255 4.570 -0.001 0.000 0.320 829 c C -0.595 173.527 174.090 0.054 0.000 1.226 829 c CA -1.056 55.272 56.329 -0.003 0.000 1.569 829 c CB 1.167 43.639 42.510 -0.064 0.000 2.200 829 c HN 0.771 nan 8.230 nan 0.000 0.491 830 D N 1.661 122.093 120.400 0.053 0.000 2.542 830 D HA 0.369 5.009 4.640 -0.001 0.000 0.252 830 D C -0.165 176.169 176.300 0.057 0.000 1.222 830 D CA 0.104 54.148 54.000 0.072 0.000 0.895 830 D CB 1.824 42.679 40.800 0.091 0.000 1.207 830 D HN 0.679 nan 8.370 nan 0.000 0.558 831 S N 0.828 116.549 115.700 0.035 0.000 2.603 831 S HA 0.848 5.318 4.470 -0.001 0.000 0.268 831 S C 0.006 174.606 174.600 0.001 0.000 1.317 831 S CA -0.560 57.606 58.200 -0.057 0.000 1.012 831 S CB 1.678 64.780 63.200 -0.164 0.000 0.926 831 S HN 0.628 nan 8.310 nan 0.000 0.539 832 A N 1.211 124.010 122.820 -0.034 0.000 2.585 832 A HA 0.645 4.965 4.320 -0.001 0.000 0.299 832 A C -3.334 174.482 177.584 0.386 0.000 1.047 832 A CA -1.290 50.863 52.037 0.193 0.000 0.723 832 A CB 0.665 19.752 19.000 0.145 0.000 1.275 832 A HN 0.640 nan 8.150 nan 0.000 0.408 833 P HA 0.470 nan 4.420 nan 0.000 0.280 833 P C 0.022 177.495 177.300 0.288 0.000 1.244 833 P CA 0.017 63.429 63.100 0.520 0.000 0.784 833 P CB 1.589 33.480 31.700 0.318 0.000 0.913 834 V N 2.827 122.892 119.914 0.252 0.000 3.927 834 V HA 0.280 4.400 4.120 -0.001 0.000 0.190 834 V C 1.492 177.647 176.094 0.102 0.000 1.201 834 V CA 1.008 63.398 62.300 0.151 0.000 1.324 834 V CB -0.955 30.948 31.823 0.133 0.000 1.545 834 V HN 0.676 nan 8.190 nan 0.000 0.534 835 G N -0.224 108.634 108.800 0.097 0.000 2.771 835 G HA2 0.131 4.090 3.960 -0.001 0.000 0.242 835 G HA3 0.131 4.090 3.960 -0.001 0.000 0.242 835 G C 1.273 176.197 174.900 0.039 0.000 1.233 835 G CA 0.734 45.870 45.100 0.060 0.000 0.858 835 G HN 0.311 nan 8.290 nan 0.000 0.591 836 S N -0.770 114.945 115.700 0.026 0.000 2.368 836 S HA -0.159 4.310 4.470 -0.001 0.000 0.226 836 S C 1.113 175.718 174.600 0.009 0.000 1.044 836 S CA 2.185 60.394 58.200 0.016 0.000 1.062 836 S CB -0.223 62.984 63.200 0.011 0.000 0.931 836 S HN 0.667 nan 8.310 nan 0.000 0.440 837 Q N -1.594 118.209 119.800 0.004 0.000 2.759 837 Q HA 0.452 4.791 4.340 -0.001 0.000 0.225 837 Q C -0.226 175.763 176.000 -0.020 0.000 0.823 837 Q CA 0.265 56.060 55.803 -0.012 0.000 0.828 837 Q CB 0.764 29.497 28.738 -0.008 0.000 1.425 837 Q HN 0.545 nan 8.270 nan 0.000 0.449 838 G N 1.629 110.399 108.800 -0.050 0.000 3.638 838 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.196 838 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.196 838 G C 0.121 174.975 174.900 -0.077 0.000 1.315 838 G CA 0.099 45.161 45.100 -0.063 0.000 0.944 838 G HN 0.685 nan 8.290 nan 0.000 0.434 839 T N -0.672 113.889 114.554 0.011 0.000 2.862 839 T HA 0.680 5.029 4.350 -0.001 0.000 0.276 839 T C -0.217 174.619 174.700 0.226 0.000 0.974 839 T CA 0.425 62.594 62.100 0.115 0.000 0.966 839 T CB 2.008 70.940 68.868 0.107 0.000 1.072 839 T HN 1.864 nan 8.240 nan 0.000 0.538 840 W N -1.181 120.016 121.300 -0.171 0.000 3.189 840 W HA 0.612 5.271 4.660 -0.001 0.000 0.314 840 W C -1.697 174.637 176.519 -0.308 0.000 1.204 840 W CA -1.331 55.917 57.345 -0.163 0.000 1.171 840 W CB 0.484 29.902 29.460 -0.071 0.000 1.394 840 W HN 0.863 nan 8.180 nan 0.000 0.568 841 S N 1.103 116.752 115.700 -0.085 0.000 2.475 841 S HA 0.760 5.230 4.470 -0.001 0.000 0.298 841 S C -0.419 174.143 174.600 -0.064 0.000 1.119 841 S CA 0.039 58.187 58.200 -0.086 0.000 1.085 841 S CB 0.789 64.007 63.200 0.031 0.000 1.028 841 S HN 0.768 nan 8.310 nan 0.000 0.489 842 T N 1.839 116.466 114.554 0.121 0.000 2.963 842 T HA 0.518 4.868 4.350 -0.001 0.000 0.343 842 T C 0.151 174.963 174.700 0.187 0.000 1.146 842 T CA -0.761 61.441 62.100 0.169 0.000 1.016 842 T CB 0.266 69.311 68.868 0.297 0.000 1.046 842 T HN 0.623 nan 8.240 nan 0.000 0.496 843 S N 1.518 117.271 115.700 0.090 0.000 2.603 843 S HA 0.559 5.029 4.470 -0.001 0.000 0.268 843 S C -0.040 174.569 174.600 0.014 0.000 1.317 843 S CA -0.788 57.441 58.200 0.047 0.000 1.012 843 S CB 0.524 63.744 63.200 0.034 0.000 0.926 843 S HN 0.859 nan 8.310 nan 0.000 0.539 844 c N 2.692 121.273 118.600 -0.032 0.000 3.171 844 c HA 0.425 4.995 4.570 -0.001 0.000 0.336 844 c C 0.049 174.066 174.090 -0.121 0.000 1.035 844 c CA -0.881 55.392 56.329 -0.093 0.000 1.361 844 c CB -0.233 42.188 42.510 -0.148 0.000 1.804 844 c HN 1.045 nan 8.230 nan 0.000 0.535 845 R N 2.282 122.733 120.500 -0.082 0.000 2.234 845 R HA 0.562 4.902 4.340 -0.001 0.000 0.324 845 R C -0.406 175.822 176.300 -0.120 0.000 1.054 845 R CA -0.346 55.709 56.100 -0.075 0.000 0.912 845 R CB 0.660 30.955 30.300 -0.008 0.000 1.030 845 R HN 0.690 nan 8.270 nan 0.000 0.455 846 I N 4.453 124.918 120.570 -0.175 0.000 2.849 846 I HA -0.183 3.987 4.170 -0.001 0.000 0.288 846 I C 1.244 177.288 176.117 -0.122 0.000 1.156 846 I CA 0.119 61.289 61.300 -0.218 0.000 1.394 846 I CB -0.391 37.447 38.000 -0.270 0.000 1.462 846 I HN 0.788 nan 8.210 nan 0.000 0.587 847 N N 5.148 123.797 118.700 -0.084 0.000 2.002 847 N HA -0.242 4.497 4.740 -0.001 0.000 0.199 847 N C 0.915 176.461 175.510 0.059 0.000 1.067 847 N CA 1.902 54.978 53.050 0.043 0.000 0.870 847 N CB -0.099 38.524 38.487 0.227 0.000 1.073 847 N HN 0.722 nan 8.380 nan 0.000 0.432 848 H N -0.945 118.170 119.070 0.075 0.000 2.328 848 H HA 0.592 5.147 4.556 -0.001 0.000 0.230 848 H C -0.829 174.519 175.328 0.034 0.000 1.481 848 H CA -0.900 55.175 56.048 0.046 0.000 1.306 848 H CB -0.343 29.427 29.762 0.013 0.000 1.531 848 H HN 0.205 nan 8.280 nan 0.000 0.533 849 L N -2.221 119.014 121.223 0.021 0.000 3.167 849 L HA 0.399 4.738 4.340 -0.001 0.000 0.273 849 L C -1.600 175.274 176.870 0.008 0.000 0.969 849 L CA -1.190 53.673 54.840 0.038 0.000 1.033 849 L CB 0.598 42.674 42.059 0.027 0.000 1.544 849 L HN 0.153 nan 8.230 nan 0.000 0.393 850 I N 0.995 121.559 120.570 -0.011 0.000 2.577 850 I HA 0.438 4.608 4.170 -0.001 0.000 0.300 850 I C -0.937 175.197 176.117 0.028 0.000 0.990 850 I CA -0.190 61.055 61.300 -0.091 0.000 1.283 850 I CB 1.530 39.368 38.000 -0.270 0.000 1.411 850 I HN 0.616 nan 8.210 nan 0.000 0.515 851 F N 5.262 125.100 119.950 -0.187 0.000 2.359 851 F HA 0.474 5.000 4.527 -0.000 0.000 0.369 851 F C 0.043 175.767 175.800 -0.127 0.000 1.084 851 F CA -0.718 57.212 58.000 -0.117 0.000 1.096 851 F CB 0.341 39.297 39.000 -0.072 0.000 1.335 851 F HN 0.430 nan 8.300 nan 0.000 0.457 852 R N 3.254 123.653 120.500 -0.169 0.000 2.720 852 R HA 0.638 4.978 4.340 -0.001 0.000 0.272 852 R C 0.531 176.664 176.300 -0.279 0.000 0.991 852 R CA -0.124 55.837 56.100 -0.232 0.000 1.010 852 R CB 1.493 31.711 30.300 -0.136 0.000 1.141 852 R HN 0.847 nan 8.270 nan 0.000 0.494 853 G N 0.458 109.133 108.800 -0.207 0.000 2.606 853 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.285 853 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.285 853 G C 0.629 175.410 174.900 -0.198 0.000 1.311 853 G CA -0.070 44.937 45.100 -0.156 0.000 0.922 853 G HN 0.798 nan 8.290 nan 0.000 0.559 854 G N 0.088 108.824 108.800 -0.107 0.000 3.234 854 G HA2 0.570 4.530 3.960 -0.001 0.000 0.221 854 G HA3 0.570 4.530 3.960 -0.001 0.000 0.221 854 G C 0.791 175.678 174.900 -0.021 0.000 1.229 854 G CA 1.307 46.370 45.100 -0.062 0.000 0.909 854 G HN 1.792 nan 8.290 nan 0.000 0.510 855 A N 0.447 123.220 122.820 -0.078 0.000 2.440 855 A HA 0.537 4.856 4.320 -0.001 0.000 0.251 855 A C 0.504 178.201 177.584 0.188 0.000 1.089 855 A CA -0.346 51.716 52.037 0.042 0.000 0.779 855 A CB 0.280 19.314 19.000 0.057 0.000 1.022 855 A HN 0.587 nan 8.150 nan 0.000 0.492 856 Q N 1.316 121.261 119.800 0.241 0.000 2.248 856 Q HA 0.807 5.147 4.340 -0.001 0.000 0.263 856 Q C -0.663 175.448 176.000 0.185 0.000 1.007 856 Q CA -0.752 55.206 55.803 0.258 0.000 0.877 856 Q CB 1.623 30.426 28.738 0.108 0.000 1.315 856 Q HN 0.847 nan 8.270 nan 0.000 0.454 857 I N -2.035 118.561 120.570 0.043 0.000 2.913 857 I HA 0.672 4.842 4.170 -0.001 0.000 0.302 857 I C -1.236 174.829 176.117 -0.087 0.000 1.246 857 I CA -0.858 60.414 61.300 -0.047 0.000 1.010 857 I CB 2.788 40.695 38.000 -0.154 0.000 1.259 857 I HN 0.789 nan 8.210 nan 0.000 0.434 858 T N 1.778 116.307 114.554 -0.043 0.000 2.879 858 T HA 0.762 5.112 4.350 -0.001 0.000 0.290 858 T C -0.742 173.977 174.700 0.031 0.000 0.993 858 T CA -0.526 61.528 62.100 -0.077 0.000 0.975 858 T CB 1.317 70.116 68.868 -0.116 0.000 0.981 858 T HN 0.713 nan 8.240 nan 0.000 0.439 859 F N 1.239 121.124 119.950 -0.108 0.000 2.654 859 F HA 0.878 5.405 4.527 -0.001 0.000 0.334 859 F C -1.601 174.163 175.800 -0.060 0.000 1.078 859 F CA -2.103 55.846 58.000 -0.085 0.000 0.986 859 F CB 1.442 40.385 39.000 -0.096 0.000 1.362 859 F HN 0.659 nan 8.300 nan 0.000 0.498 860 L N 1.892 123.161 121.223 0.077 0.000 2.349 860 L HA 0.853 5.192 4.340 -0.001 0.000 0.278 860 L C -1.216 175.724 176.870 0.117 0.000 0.996 860 L CA -0.773 54.054 54.840 -0.022 0.000 0.825 860 L CB 1.431 43.480 42.059 -0.017 0.000 1.243 860 L HN 1.033 nan 8.230 nan 0.000 0.412 861 A N 3.259 126.118 122.820 0.064 0.000 2.319 861 A HA 0.718 5.037 4.320 -0.001 0.000 0.310 861 A C -0.552 177.116 177.584 0.140 0.000 1.152 861 A CA -0.392 51.763 52.037 0.197 0.000 0.783 861 A CB 1.326 20.379 19.000 0.088 0.000 1.184 861 A HN 0.594 nan 8.150 nan 0.000 0.474 862 T N 2.450 117.062 114.554 0.097 0.000 2.794 862 T HA 0.591 4.940 4.350 -0.001 0.000 0.280 862 T C -1.011 173.580 174.700 -0.182 0.000 0.987 862 T CA 0.216 62.313 62.100 -0.005 0.000 0.993 862 T CB 0.149 68.967 68.868 -0.083 0.000 0.939 862 T HN 0.332 nan 8.240 nan 0.000 0.449 863 F N 2.288 122.197 119.950 -0.068 0.000 2.402 863 F HA 0.327 4.854 4.527 -0.001 0.000 0.355 863 F C 0.595 176.334 175.800 -0.101 0.000 1.123 863 F CA -1.271 56.665 58.000 -0.107 0.000 1.021 863 F CB 0.991 39.889 39.000 -0.170 0.000 1.160 863 F HN 0.388 nan 8.300 nan 0.000 0.451 864 D N 2.227 122.641 120.400 0.023 0.000 2.424 864 D HA 0.188 4.828 4.640 -0.001 0.000 0.244 864 D C -0.547 175.789 176.300 0.060 0.000 1.134 864 D CA 0.336 54.347 54.000 0.018 0.000 0.881 864 D CB 1.928 42.721 40.800 -0.012 0.000 1.191 864 D HN 0.254 nan 8.370 nan 0.000 0.445 865 V N 2.072 122.012 119.914 0.043 0.000 2.495 865 V HA 0.301 4.420 4.120 -0.001 0.000 0.298 865 V C -0.134 175.994 176.094 0.057 0.000 1.031 865 V CA -0.645 61.687 62.300 0.052 0.000 0.871 865 V CB 1.822 33.655 31.823 0.016 0.000 0.988 865 V HN 0.681 nan 8.190 nan 0.000 0.432 866 S N 6.669 122.418 115.700 0.082 0.000 2.549 866 S HA 0.352 4.822 4.470 -0.001 0.000 0.279 866 S C -1.767 172.882 174.600 0.082 0.000 1.321 866 S CA -0.706 57.544 58.200 0.083 0.000 1.054 866 S CB 1.155 64.414 63.200 0.099 0.000 0.899 866 S HN 0.669 nan 8.310 nan 0.000 0.497 867 P HA -0.031 nan 4.420 nan 0.000 0.221 867 P C 0.307 177.678 177.300 0.118 0.000 1.145 867 P CA 1.141 64.293 63.100 0.086 0.000 0.795 867 P CB 0.082 31.826 31.700 0.073 0.000 0.775 868 K N -0.030 120.437 120.400 0.112 0.000 2.847 868 K HA 0.451 4.770 4.320 -0.001 0.000 0.213 868 K C -0.649 176.028 176.600 0.128 0.000 1.174 868 K CA -0.581 55.779 56.287 0.120 0.000 1.095 868 K CB -0.246 32.308 32.500 0.090 0.000 1.581 868 K HN -0.136 nan 8.250 nan 0.000 0.514 869 A N 2.191 125.110 122.820 0.165 0.000 2.376 869 A HA 0.241 4.561 4.320 -0.001 0.000 0.298 869 A C -0.126 177.575 177.584 0.194 0.000 1.271 869 A CA -0.511 51.621 52.037 0.159 0.000 0.926 869 A CB 0.283 19.363 19.000 0.134 0.000 1.141 869 A HN 0.301 nan 8.150 nan 0.000 0.539 870 V N 4.721 124.713 119.914 0.130 0.000 2.421 870 V HA 0.363 4.482 4.120 -0.001 0.000 0.271 870 V C -0.093 176.070 176.094 0.116 0.000 1.031 870 V CA 0.453 62.816 62.300 0.105 0.000 1.032 870 V CB -0.686 31.170 31.823 0.055 0.000 1.009 870 V HN 0.838 nan 8.190 nan 0.000 0.477 871 L N 3.574 124.887 121.223 0.150 0.000 2.672 871 L HA 0.870 5.209 4.340 -0.001 0.000 0.256 871 L C 0.178 177.138 176.870 0.149 0.000 0.946 871 L CA -0.437 54.482 54.840 0.133 0.000 0.889 871 L CB 0.804 42.938 42.059 0.126 0.000 1.441 871 L HN 0.522 nan 8.230 nan 0.000 0.418 872 G N 0.295 109.153 108.800 0.098 0.000 2.785 872 G HA2 0.195 4.155 3.960 -0.001 0.000 0.256 872 G HA3 0.195 4.155 3.960 -0.001 0.000 0.256 872 G C 0.415 175.381 174.900 0.110 0.000 1.248 872 G CA 0.460 45.610 45.100 0.083 0.000 0.914 872 G HN 1.086 nan 8.290 nan 0.000 0.580 873 D N -1.419 119.029 120.400 0.081 0.000 2.392 873 D HA -0.049 4.591 4.640 -0.001 0.000 0.228 873 D C 0.875 177.195 176.300 0.033 0.000 1.003 873 D CA 0.706 54.752 54.000 0.075 0.000 0.917 873 D CB 0.096 40.919 40.800 0.039 0.000 0.890 873 D HN 0.392 nan 8.370 nan 0.000 0.532 874 R N -0.305 120.214 120.500 0.031 0.000 2.698 874 R HA 0.582 4.922 4.340 -0.001 0.000 0.275 874 R C -1.218 175.095 176.300 0.022 0.000 1.001 874 R CA -1.089 55.019 56.100 0.013 0.000 0.896 874 R CB 1.995 32.304 30.300 0.014 0.000 1.218 874 R HN 0.054 nan 8.270 nan 0.000 0.462 875 L N 0.691 121.921 121.223 0.011 0.000 2.376 875 L HA 0.629 4.969 4.340 -0.001 0.000 0.275 875 L C -0.932 175.962 176.870 0.040 0.000 0.987 875 L CA -0.916 53.940 54.840 0.027 0.000 0.828 875 L CB 1.450 43.514 42.059 0.008 0.000 1.249 875 L HN 0.526 nan 8.230 nan 0.000 0.409 876 L N 2.893 124.152 121.223 0.061 0.000 2.332 876 L HA 1.013 5.353 4.340 -0.001 0.000 0.269 876 L C -0.766 176.172 176.870 0.114 0.000 1.016 876 L CA -0.890 53.999 54.840 0.081 0.000 0.809 876 L CB 1.669 43.763 42.059 0.059 0.000 1.280 876 L HN 0.815 nan 8.230 nan 0.000 0.447 877 L N -1.733 119.587 121.223 0.162 0.000 2.612 877 L HA 0.949 5.289 4.340 -0.001 0.000 0.256 877 L C -0.313 176.745 176.870 0.313 0.000 0.949 877 L CA -0.139 54.821 54.840 0.201 0.000 0.867 877 L CB 1.494 43.635 42.059 0.137 0.000 1.417 877 L HN 0.999 nan 8.230 nan 0.000 0.414 878 T N -1.202 113.539 114.554 0.313 0.000 2.883 878 T HA 0.971 5.321 4.350 -0.001 0.000 0.284 878 T C -0.408 174.558 174.700 0.444 0.000 1.041 878 T CA -0.356 61.952 62.100 0.347 0.000 1.007 878 T CB 1.893 70.872 68.868 0.185 0.000 1.220 878 T HN 1.722 nan 8.240 nan 0.000 0.552 879 A N 1.903 124.947 122.820 0.374 0.000 2.768 879 A HA 0.592 4.911 4.320 -0.001 0.000 0.299 879 A C -0.748 176.882 177.584 0.076 0.000 1.171 879 A CA -0.883 51.245 52.037 0.151 0.000 0.759 879 A CB 0.068 19.295 19.000 0.379 0.000 1.267 879 A HN 0.678 nan 8.150 nan 0.000 0.421 880 N N 0.629 119.327 118.700 -0.003 0.000 2.475 880 N HA 0.369 5.109 4.740 -0.001 0.000 0.267 880 N C -0.635 174.865 175.510 -0.018 0.000 1.169 880 N CA 0.117 53.177 53.050 0.015 0.000 0.947 880 N CB 1.799 40.295 38.487 0.016 0.000 1.061 880 N HN 0.452 nan 8.380 nan 0.000 0.466 881 V N 1.471 121.404 119.914 0.033 0.000 2.588 881 V HA 0.811 4.931 4.120 -0.001 0.000 0.304 881 V C -0.629 175.506 176.094 0.067 0.000 1.042 881 V CA -0.235 62.089 62.300 0.039 0.000 0.877 881 V CB 1.413 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 3.716 119.456 115.700 0.066 0.000 2.672 882 S HA 0.707 5.177 4.470 -0.001 0.000 0.271 882 S C -0.452 174.204 174.600 0.093 0.000 1.171 882 S CA -0.121 58.127 58.200 0.080 0.000 0.817 882 S CB 1.523 64.761 63.200 0.064 0.000 1.150 882 S HN 1.652 nan 8.310 nan 0.000 0.478 883 S N -0.433 115.327 115.700 0.100 0.000 2.693 883 S HA 0.436 4.905 4.470 -0.001 0.000 0.276 883 S C 0.911 175.578 174.600 0.111 0.000 1.192 883 S CA -0.104 58.168 58.200 0.120 0.000 0.994 883 S CB 0.944 64.220 63.200 0.127 0.000 1.012 883 S HN 0.961 nan 8.310 nan 0.000 0.550 884 E N 0.760 121.040 120.200 0.134 0.000 2.209 884 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 884 E C 0.273 176.937 176.600 0.108 0.000 0.993 884 E CA 1.151 57.626 56.400 0.126 0.000 0.819 884 E CB -0.307 29.486 29.700 0.155 0.000 0.745 884 E HN 0.621 nan 8.360 nan 0.000 0.477 885 N N 1.979 120.742 118.700 0.104 0.000 2.466 885 N HA -0.003 4.737 4.740 -0.001 0.000 0.211 885 N C -0.573 174.976 175.510 0.064 0.000 1.256 885 N CA 0.162 53.259 53.050 0.078 0.000 0.840 885 N CB -0.373 38.156 38.487 0.070 0.000 1.079 885 N HN 0.195 nan 8.380 nan 0.000 0.466 886 N N -0.645 118.097 118.700 0.069 0.000 5.925 886 N HA -0.186 4.554 4.740 -0.001 0.000 0.361 886 N C -0.362 175.179 175.510 0.053 0.000 0.922 886 N CA 1.322 54.408 53.050 0.060 0.000 1.177 886 N CB -0.895 37.624 38.487 0.053 0.000 0.806 886 N HN 0.341 nan 8.380 nan 0.000 0.456 887 T N -2.259 112.322 114.554 0.045 0.000 3.149 887 T HA 0.571 4.921 4.350 -0.001 0.000 0.373 887 T C -1.906 172.812 174.700 0.030 0.000 1.364 887 T CA -1.295 60.829 62.100 0.039 0.000 1.110 887 T CB 1.350 70.242 68.868 0.039 0.000 1.127 887 T HN 0.209 nan 8.240 nan 0.000 0.576 888 P HA 0.090 nan 4.420 nan 0.000 0.228 888 P C 0.660 177.967 177.300 0.012 0.000 1.151 888 P CA 0.573 63.683 63.100 0.016 0.000 0.770 888 P CB 0.376 32.083 31.700 0.011 0.000 0.786 889 R N -2.720 117.789 120.500 0.014 0.000 3.315 889 R HA 0.422 4.761 4.340 -0.001 0.000 0.239 889 R C 1.078 177.386 176.300 0.013 0.000 1.532 889 R CA -0.508 55.598 56.100 0.010 0.000 1.033 889 R CB -0.234 30.069 30.300 0.005 0.000 1.586 889 R HN -0.340 nan 8.270 nan 0.000 0.512 890 T N 0.266 114.827 114.554 0.011 0.000 2.837 890 T HA -0.027 4.323 4.350 -0.001 0.000 0.242 890 T C 0.747 175.456 174.700 0.015 0.000 1.044 890 T CA 0.780 62.887 62.100 0.010 0.000 1.202 890 T CB -0.167 68.704 68.868 0.006 0.000 0.905 890 T HN 0.331 nan 8.240 nan 0.000 0.413 891 S N 2.595 118.304 115.700 0.015 0.000 2.430 891 S HA 0.271 4.741 4.470 -0.001 0.000 0.289 891 S C -0.214 174.404 174.600 0.029 0.000 1.143 891 S CA -0.829 57.383 58.200 0.020 0.000 1.067 891 S CB -0.016 63.193 63.200 0.016 0.000 0.964 891 S HN 0.059 nan 8.310 nan 0.000 0.485 892 K N 2.874 123.295 120.400 0.034 0.000 2.380 892 K HA 0.068 4.388 4.320 -0.001 0.000 0.267 892 K C 0.593 177.227 176.600 0.057 0.000 0.990 892 K CA 0.041 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 0.594 nan 8.250 nan 0.000 0.491 893 T N 1.502 116.100 114.554 0.073 0.000 3.383 893 T HA 0.119 4.469 4.350 -0.001 0.000 0.324 893 T C -0.385 174.391 174.700 0.126 0.000 1.822 893 T CA -0.590 61.569 62.100 0.099 0.000 1.424 893 T CB -0.634 68.299 68.868 0.109 0.000 1.093 893 T HN 0.585 nan 8.240 nan 0.000 0.748 894 T N 0.977 115.601 114.554 0.117 0.000 2.882 894 T HA 0.638 4.988 4.350 -0.001 0.000 0.287 894 T C -0.602 174.213 174.700 0.192 0.000 0.992 894 T CA -0.815 61.368 62.100 0.139 0.000 1.076 894 T CB 1.038 69.963 68.868 0.095 0.000 0.961 894 T HN 0.355 nan 8.240 nan 0.000 0.490 895 F N 3.432 123.422 119.950 0.066 0.000 2.477 895 F HA 0.491 5.018 4.527 -0.001 0.000 0.335 895 F C -0.368 175.440 175.800 0.013 0.000 1.130 895 F CA -0.707 57.290 58.000 -0.005 0.000 0.948 895 F CB 1.693 40.638 39.000 -0.091 0.000 1.154 895 F HN 0.917 nan 8.300 nan 0.000 0.439 896 Q N 5.977 125.338 119.800 -0.731 0.000 2.458 896 Q HA 0.834 5.174 4.340 -0.001 0.000 0.282 896 Q C -2.040 173.561 176.000 -0.664 0.000 1.106 896 Q CA -1.226 54.316 55.803 -0.435 0.000 0.814 896 Q CB 3.105 31.758 28.738 -0.141 0.000 1.425 896 Q HN 0.776 nan 8.270 nan 0.000 0.437 897 L N -2.653 118.431 121.223 -0.231 0.000 2.518 897 L HA 0.694 5.033 4.340 -0.001 0.000 0.257 897 L C -1.276 175.618 176.870 0.040 0.000 0.980 897 L CA -0.808 53.958 54.840 -0.123 0.000 0.837 897 L CB 2.337 44.353 42.059 -0.072 0.000 1.410 897 L HN 0.851 nan 8.230 nan 0.000 0.410 898 E N 1.363 121.580 120.200 0.028 0.000 2.222 898 E HA 0.775 5.124 4.350 -0.001 0.000 0.267 898 E C -1.731 174.896 176.600 0.045 0.000 0.884 898 E CA -0.718 55.707 56.400 0.041 0.000 0.764 898 E CB 1.944 31.654 29.700 0.016 0.000 1.169 898 E HN 0.735 nan 8.360 nan 0.000 0.413 899 L N 4.916 126.159 121.223 0.034 0.000 2.362 899 L HA 0.510 4.849 4.340 -0.001 0.000 0.271 899 L C -2.345 174.515 176.870 -0.016 0.000 1.002 899 L CA -2.410 52.435 54.840 0.009 0.000 0.818 899 L CB 2.087 44.135 42.059 -0.020 0.000 1.298 899 L HN 0.435 nan 8.230 nan 0.000 0.420 900 P HA 0.070 nan 4.420 nan 0.000 0.271 900 P C -0.966 176.291 177.300 -0.072 0.000 1.220 900 P CA 0.007 63.087 63.100 -0.033 0.000 0.768 900 P CB 1.111 32.797 31.700 -0.023 0.000 0.848 901 V N 4.651 124.510 119.914 -0.092 0.000 2.555 901 V HA 0.396 4.516 4.120 -0.001 0.000 0.302 901 V C -0.128 175.818 176.094 -0.246 0.000 1.038 901 V CA -0.488 61.695 62.300 -0.194 0.000 0.887 901 V CB 1.414 33.102 31.823 -0.224 0.000 0.991 901 V HN 0.451 nan 8.190 nan 0.000 0.434 902 K N 4.517 124.716 120.400 -0.334 0.000 2.307 902 K HA 0.683 5.002 4.320 -0.001 0.000 0.239 902 K C -1.880 174.374 176.600 -0.575 0.000 1.083 902 K CA -0.757 55.372 56.287 -0.263 0.000 0.913 902 K CB 1.930 34.393 32.500 -0.062 0.000 1.322 902 K HN 0.575 nan 8.250 nan 0.000 0.514 903 Y N -0.538 119.795 120.300 0.055 0.000 2.513 903 Y HA 0.374 4.924 4.550 -0.001 0.000 0.340 903 Y C -0.518 175.487 175.900 0.175 0.000 1.055 903 Y CA -1.132 57.038 58.100 0.116 0.000 1.020 903 Y CB 1.964 40.514 38.460 0.150 0.000 1.301 903 Y HN 0.670 nan 8.280 nan 0.000 0.453 904 A N 1.926 124.906 122.820 0.267 0.000 2.386 904 A HA 0.727 5.047 4.320 -0.001 0.000 0.248 904 A C -0.751 176.947 177.584 0.189 0.000 1.082 904 A CA -0.164 51.990 52.037 0.196 0.000 0.789 904 A CB 0.313 19.398 19.000 0.141 0.000 1.025 904 A HN 0.551 nan 8.150 nan 0.000 0.490 905 V N 0.904 120.901 119.914 0.139 0.000 3.000 905 V HA 0.260 4.380 4.120 -0.001 0.000 0.300 905 V C -1.551 174.602 176.094 0.099 0.000 1.251 905 V CA -0.420 61.914 62.300 0.057 0.000 0.972 905 V CB 1.958 33.703 31.823 -0.130 0.000 1.065 905 V HN 0.841 nan 8.190 nan 0.000 0.431 906 Y N 1.947 122.229 120.300 -0.030 0.000 2.356 906 Y HA 0.642 5.191 4.550 -0.001 0.000 0.334 906 Y C 0.098 176.007 175.900 0.015 0.000 0.958 906 Y CA -0.060 58.041 58.100 0.002 0.000 1.196 906 Y CB 1.590 40.060 38.460 0.018 0.000 1.137 906 Y HN 0.677 nan 8.280 nan 0.000 0.485 907 T N 5.774 120.219 114.554 -0.181 0.000 2.864 907 T HA 0.539 4.889 4.350 -0.001 0.000 0.299 907 T C -0.965 173.691 174.700 -0.074 0.000 1.011 907 T CA -0.555 61.506 62.100 -0.064 0.000 0.975 907 T CB 0.848 69.655 68.868 -0.101 0.000 0.962 907 T HN 0.303 nan 8.240 nan 0.000 0.448 908 V N 3.063 122.986 119.914 0.015 0.000 2.960 908 V HA 0.845 4.965 4.120 -0.001 0.000 0.315 908 V C -0.693 175.438 176.094 0.062 0.000 1.087 908 V CA -0.825 61.519 62.300 0.073 0.000 0.982 908 V CB 2.370 34.298 31.823 0.174 0.000 1.039 908 V HN 0.630 nan 8.190 nan 0.000 0.437 909 V N 2.209 122.148 119.914 0.041 0.000 2.711 909 V HA 0.742 4.861 4.120 -0.001 0.000 0.304 909 V C -0.619 175.492 176.094 0.028 0.000 1.097 909 V CA 0.134 62.444 62.300 0.015 0.000 0.906 909 V CB 2.303 34.106 31.823 -0.033 0.000 1.015 909 V HN 0.995 nan 8.190 nan 0.000 0.427 910 S N 3.784 119.521 115.700 0.062 0.000 2.689 910 S HA 0.676 5.146 4.470 -0.001 0.000 0.306 910 S C -0.442 174.265 174.600 0.178 0.000 1.104 910 S CA -0.093 58.148 58.200 0.069 0.000 0.973 910 S CB 1.997 65.207 63.200 0.017 0.000 1.121 910 S HN 1.189 nan 8.310 nan 0.000 0.523 911 S N 1.857 117.626 115.700 0.115 0.000 2.466 911 S HA 0.265 4.735 4.470 -0.001 0.000 0.313 911 S C -0.175 174.434 174.600 0.014 0.000 1.078 911 S CA -0.505 57.695 58.200 0.000 0.000 1.115 911 S CB -0.597 62.557 63.200 -0.077 0.000 1.006 911 S HN 0.795 nan 8.310 nan 0.000 0.487 912 H N 3.198 122.218 119.070 -0.084 0.000 3.038 912 H HA -0.019 4.536 4.556 -0.001 0.000 0.338 912 H C 1.366 176.693 175.328 -0.002 0.000 1.041 912 H CA 0.813 56.841 56.048 -0.034 0.000 1.394 912 H CB 0.713 30.459 29.762 -0.027 0.000 1.357 912 H HN 0.834 nan 8.280 nan 0.000 0.600 913 E N 3.185 123.295 120.200 -0.151 0.000 2.512 913 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 913 E C 0.055 176.552 176.600 -0.171 0.000 1.083 913 E CA 0.229 56.573 56.400 -0.094 0.000 0.873 913 E CB 0.064 29.733 29.700 -0.052 0.000 0.897 913 E HN 0.644 nan 8.360 nan 0.000 0.514 914 Q N 1.194 120.784 119.800 -0.349 0.000 2.938 914 Q HA 0.154 4.494 4.340 -0.001 0.000 0.343 914 Q C -1.044 174.913 176.000 -0.071 0.000 1.185 914 Q CA -0.341 55.330 55.803 -0.220 0.000 0.939 914 Q CB -0.307 28.281 28.738 -0.250 0.000 1.480 914 Q HN 0.344 nan 8.270 nan 0.000 0.442 915 F N -1.223 118.619 119.950 -0.180 0.000 2.469 915 F HA 0.395 4.922 4.527 -0.001 0.000 0.332 915 F C -0.233 175.472 175.800 -0.157 0.000 1.103 915 F CA -0.789 57.093 58.000 -0.196 0.000 0.979 915 F CB 1.466 40.356 39.000 -0.184 0.000 1.137 915 F HN -0.231 nan 8.300 nan 0.000 0.463 916 T N 5.298 119.495 114.554 -0.595 0.000 2.992 916 T HA 0.153 4.503 4.350 -0.001 0.000 0.299 916 T C -0.207 174.122 174.700 -0.618 0.000 1.027 916 T CA -0.324 61.479 62.100 -0.495 0.000 1.001 916 T CB -0.414 68.352 68.868 -0.170 0.000 1.005 916 T HN 0.575 nan 8.240 nan 0.000 0.599 917 K N 3.063 122.966 120.400 -0.830 0.000 2.354 917 K HA 0.256 4.575 4.320 -0.001 0.000 0.257 917 K C 0.027 176.491 176.600 -0.226 0.000 1.062 917 K CA -0.705 55.289 56.287 -0.488 0.000 0.971 917 K CB 0.255 32.458 32.500 -0.495 0.000 1.305 917 K HN 0.725 nan 8.250 nan 0.000 0.449 918 Y N 3.558 123.744 120.300 -0.190 0.000 2.500 918 Y HA 0.210 4.760 4.550 -0.001 0.000 0.246 918 Y C 0.023 175.826 175.900 -0.161 0.000 1.146 918 Y CA -1.104 56.910 58.100 -0.143 0.000 1.230 918 Y CB -0.434 37.983 38.460 -0.071 0.000 1.214 918 Y HN 0.303 nan 8.280 nan 0.000 0.526 919 L N 2.729 123.567 121.223 -0.642 0.000 2.714 919 L HA 0.095 4.435 4.340 -0.001 0.000 0.301 919 L C -0.323 176.362 176.870 -0.308 0.000 1.248 919 L CA 0.072 54.596 54.840 -0.527 0.000 0.885 919 L CB -0.115 41.685 42.059 -0.432 0.000 1.143 919 L HN 0.616 nan 8.230 nan 0.000 0.500 920 N N 1.510 120.049 118.700 -0.268 0.000 3.043 920 N HA 0.196 4.936 4.740 -0.001 0.000 0.243 920 N C -0.110 175.270 175.510 -0.218 0.000 1.347 920 N CA -0.747 52.127 53.050 -0.294 0.000 0.896 920 N CB 0.107 38.547 38.487 -0.079 0.000 1.501 920 N HN 0.421 nan 8.380 nan 0.000 0.504 921 F N 0.697 120.659 119.950 0.020 0.000 2.451 921 F HA -0.009 4.518 4.527 -0.001 0.000 0.299 921 F C 1.617 177.430 175.800 0.022 0.000 1.101 921 F CA 0.728 58.755 58.000 0.045 0.000 1.436 921 F CB -0.235 38.799 39.000 0.056 0.000 1.074 921 F HN 0.523 nan 8.300 nan 0.000 0.553 922 S N 0.855 116.639 115.700 0.140 0.000 2.670 922 S HA 0.154 4.624 4.470 -0.001 0.000 0.328 922 S C -0.050 174.534 174.600 -0.025 0.000 1.179 922 S CA -0.372 57.857 58.200 0.049 0.000 1.194 922 S CB 0.139 63.349 63.200 0.016 0.000 1.359 922 S HN 0.318 nan 8.310 nan 0.000 0.555 923 E N 2.499 122.685 120.200 -0.022 0.000 3.132 923 E HA 0.292 4.641 4.350 -0.001 0.000 0.241 923 E C 0.630 177.182 176.600 -0.079 0.000 1.196 923 E CA -0.201 56.154 56.400 -0.074 0.000 0.869 923 E CB 0.323 30.007 29.700 -0.026 0.000 1.387 923 E HN 0.614 nan 8.360 nan 0.000 0.393 924 S N 1.622 117.266 115.700 -0.093 0.000 2.371 924 S HA 0.169 4.638 4.470 -0.001 0.000 0.219 924 S C 0.610 175.163 174.600 -0.078 0.000 1.040 924 S CA 0.160 58.315 58.200 -0.076 0.000 0.958 924 S CB 0.075 63.236 63.200 -0.065 0.000 0.860 924 S HN 0.262 nan 8.310 nan 0.000 0.487 925 E N 0.862 121.003 120.200 -0.099 0.000 2.396 925 E HA 0.525 4.875 4.350 -0.001 0.000 0.251 925 E C -1.183 175.360 176.600 -0.095 0.000 0.949 925 E CA -0.687 55.666 56.400 -0.079 0.000 0.834 925 E CB 0.805 30.466 29.700 -0.065 0.000 1.309 925 E HN 0.304 nan 8.360 nan 0.000 0.405 926 E N 0.995 121.172 120.200 -0.039 0.000 2.079 926 E HA 0.207 4.556 4.350 -0.001 0.000 0.252 926 E C -0.631 175.995 176.600 0.043 0.000 0.992 926 E CA -0.202 56.209 56.400 0.020 0.000 0.829 926 E CB 0.649 30.382 29.700 0.055 0.000 1.158 926 E HN 0.190 nan 8.360 nan 0.000 0.435 927 K N 1.110 121.497 120.400 -0.020 0.000 2.868 927 K HA 0.171 4.491 4.320 -0.001 0.000 0.304 927 K C 1.080 177.841 176.600 0.268 0.000 1.007 927 K CA -0.237 56.069 56.287 0.032 0.000 1.123 927 K CB 0.594 33.018 32.500 -0.126 0.000 1.408 927 K HN 0.332 nan 8.250 nan 0.000 0.522 928 E N -0.869 119.497 120.200 0.276 0.000 3.100 928 E HA 0.044 4.394 4.350 -0.001 0.000 0.191 928 E C 0.169 176.981 176.600 0.354 0.000 1.097 928 E CA -0.347 56.242 56.400 0.315 0.000 1.339 928 E CB 0.287 30.098 29.700 0.183 0.000 1.330 928 E HN 0.173 nan 8.360 nan 0.000 0.511 929 S N 0.587 116.443 115.700 0.260 0.000 2.921 929 S HA 0.126 4.596 4.470 -0.001 0.000 0.244 929 S C -0.696 174.021 174.600 0.196 0.000 1.291 929 S CA -0.611 57.702 58.200 0.189 0.000 1.010 929 S CB -0.166 63.096 63.200 0.103 0.000 1.255 929 S HN 0.423 nan 8.310 nan 0.000 0.492 930 H N 4.249 123.396 119.070 0.127 0.000 2.502 930 H HA 0.198 4.753 4.556 -0.001 0.000 0.268 930 H C 0.371 175.629 175.328 -0.116 0.000 1.177 930 H CA -0.276 55.747 56.048 -0.042 0.000 0.961 930 H CB 0.314 29.998 29.762 -0.130 0.000 1.737 930 H HN 0.507 nan 8.280 nan 0.000 0.569 931 V N 1.823 121.722 119.914 -0.026 0.000 2.964 931 V HA -0.090 4.030 4.120 -0.001 0.000 0.286 931 V C 0.085 176.181 176.094 0.004 0.000 1.363 931 V CA 0.909 63.241 62.300 0.055 0.000 1.411 931 V CB -0.457 31.388 31.823 0.037 0.000 0.835 931 V HN 0.613 nan 8.190 nan 0.000 0.487 932 A N 7.784 130.702 122.820 0.163 0.000 2.269 932 A HA 0.840 5.160 4.320 -0.001 0.000 0.319 932 A C -0.139 177.546 177.584 0.168 0.000 1.110 932 A CA -0.734 51.353 52.037 0.084 0.000 0.847 932 A CB 1.178 20.178 19.000 0.001 0.000 1.161 932 A HN 1.094 nan 8.150 nan 0.000 0.497 933 M N 2.271 121.866 119.600 -0.009 0.000 2.060 933 M HA 0.256 4.736 4.480 -0.001 0.000 0.275 933 M C -1.421 174.838 176.300 -0.068 0.000 0.919 933 M CA -0.115 55.200 55.300 0.024 0.000 0.970 933 M CB 0.941 33.535 32.600 -0.012 0.000 1.670 933 M HN 0.804 nan 8.290 nan 0.000 0.440 934 H N 3.708 122.848 119.070 0.117 0.000 2.741 934 H HA 0.283 4.838 4.556 -0.001 0.000 0.282 934 H C -0.518 174.747 175.328 -0.105 0.000 1.122 934 H CA -0.291 55.758 56.048 0.001 0.000 1.293 934 H CB 0.803 30.592 29.762 0.045 0.000 1.415 934 H HN 0.542 nan 8.280 nan 0.000 0.472 935 R N 3.640 124.114 120.500 -0.043 0.000 2.254 935 R HA 0.224 4.564 4.340 -0.001 0.000 0.318 935 R C -1.281 174.939 176.300 -0.133 0.000 1.031 935 R CA -0.422 55.683 56.100 0.009 0.000 0.905 935 R CB 0.534 30.911 30.300 0.129 0.000 1.050 935 R HN 0.455 nan 8.270 nan 0.000 0.456 936 Y N 2.428 122.794 120.300 0.111 0.000 2.364 936 Y HA 0.259 4.809 4.550 -0.000 0.000 0.340 936 Y C -0.082 175.746 175.900 -0.120 0.000 0.975 936 Y CA -0.676 57.456 58.100 0.053 0.000 1.089 936 Y CB 2.308 40.865 38.460 0.162 0.000 1.192 936 Y HN 0.417 nan 8.280 nan 0.000 0.454 937 Q N 2.450 122.276 119.800 0.044 0.000 2.312 937 Q HA 0.698 5.038 4.340 -0.001 0.000 0.263 937 Q C -1.466 174.498 176.000 -0.060 0.000 0.995 937 Q CA -1.006 54.743 55.803 -0.089 0.000 0.853 937 Q CB 3.291 31.945 28.738 -0.140 0.000 1.300 937 Q HN 0.502 nan 8.270 nan 0.000 0.448 938 V N 2.734 122.594 119.914 -0.090 0.000 2.925 938 V HA 0.691 4.811 4.120 -0.001 0.000 0.311 938 V C -1.950 174.232 176.094 0.147 0.000 1.104 938 V CA -0.440 61.843 62.300 -0.028 0.000 0.954 938 V CB 2.379 34.100 31.823 -0.170 0.000 1.022 938 V HN 1.049 nan 8.190 nan 0.000 0.427 939 N N 2.444 121.293 118.700 0.249 0.000 2.636 939 N HA 0.377 5.117 4.740 -0.001 0.000 0.261 939 N C -1.996 173.718 175.510 0.341 0.000 1.195 939 N CA -0.772 52.494 53.050 0.361 0.000 0.902 939 N CB 1.247 39.819 38.487 0.141 0.000 1.627 939 N HN 0.630 nan 8.380 nan 0.000 0.491 940 N N 1.101 119.950 118.700 0.250 0.000 2.407 940 N HA 0.310 5.050 4.740 -0.001 0.000 0.277 940 N C -0.876 174.703 175.510 0.114 0.000 0.995 940 N CA -0.645 52.528 53.050 0.206 0.000 0.903 940 N CB 1.378 39.986 38.487 0.203 0.000 1.218 940 N HN 0.523 nan 8.380 nan 0.000 0.487 941 L N 1.620 122.990 121.223 0.243 0.000 2.653 941 L HA 0.324 4.664 4.340 -0.001 0.000 0.232 941 L C 1.666 178.594 176.870 0.096 0.000 1.169 941 L CA -0.105 54.815 54.840 0.132 0.000 0.951 941 L CB -0.520 41.574 42.059 0.057 0.000 1.181 941 L HN 0.785 nan 8.230 nan 0.000 0.460 942 G N -0.361 108.510 108.800 0.119 0.000 2.418 942 G HA2 0.097 4.057 3.960 -0.001 0.000 0.276 942 G HA3 0.097 4.057 3.960 -0.001 0.000 0.276 942 G C 0.391 175.317 174.900 0.043 0.000 1.442 942 G CA -0.162 44.987 45.100 0.081 0.000 1.066 942 G HN 0.433 nan 8.290 nan 0.000 0.553 943 Q N -1.126 118.697 119.800 0.038 0.000 2.023 943 Q HA 0.246 4.586 4.340 -0.001 0.000 0.221 943 Q C -0.198 175.819 176.000 0.027 0.000 0.806 943 Q CA -0.052 55.776 55.803 0.041 0.000 1.052 943 Q CB 1.446 30.221 28.738 0.061 0.000 1.229 943 Q HN 0.347 nan 8.270 nan 0.000 0.440 944 R N 0.760 121.257 120.500 -0.006 0.000 2.584 944 R HA 0.236 4.576 4.340 -0.001 0.000 0.276 944 R C -1.629 174.618 176.300 -0.088 0.000 1.046 944 R CA -0.790 55.294 56.100 -0.027 0.000 0.906 944 R CB 1.610 31.912 30.300 0.004 0.000 1.215 944 R HN 0.026 nan 8.270 nan 0.000 0.449 945 D N 3.715 124.071 120.400 -0.073 0.000 2.417 945 D HA 0.240 4.880 4.640 -0.001 0.000 0.250 945 D C -0.439 175.790 176.300 -0.120 0.000 1.166 945 D CA 0.373 54.320 54.000 -0.088 0.000 0.881 945 D CB 0.636 41.406 40.800 -0.050 0.000 1.164 945 D HN 0.276 nan 8.370 nan 0.000 0.467 946 L N 0.208 121.335 121.223 -0.161 0.000 2.543 946 L HA 0.578 4.918 4.340 -0.001 0.000 0.265 946 L C -3.032 173.771 176.870 -0.112 0.000 0.945 946 L CA -2.080 52.582 54.840 -0.296 0.000 0.869 946 L CB 2.007 43.553 42.059 -0.856 0.000 1.294 946 L HN -0.033 nan 8.230 nan 0.000 0.405 947 P HA 0.326 nan 4.420 nan 0.000 0.267 947 P C -0.714 176.611 177.300 0.042 0.000 1.200 947 P CA -0.160 62.970 63.100 0.049 0.000 0.772 947 P CB 1.028 32.778 31.700 0.084 0.000 0.855 948 V N -1.460 118.478 119.914 0.040 0.000 3.206 948 V HA 0.821 4.941 4.120 -0.001 0.000 0.305 948 V C -0.969 175.121 176.094 -0.006 0.000 1.257 948 V CA -0.832 61.487 62.300 0.032 0.000 1.057 948 V CB 2.158 33.933 31.823 -0.079 0.000 1.075 948 V HN 0.437 nan 8.190 nan 0.000 0.443 949 S N 1.332 117.026 115.700 -0.009 0.000 2.779 949 S HA 0.660 5.130 4.470 -0.001 0.000 0.293 949 S C -0.854 173.680 174.600 -0.109 0.000 1.150 949 S CA -0.540 57.625 58.200 -0.058 0.000 1.057 949 S CB 0.439 63.614 63.200 -0.041 0.000 1.021 949 S HN 0.738 nan 8.310 nan 0.000 0.485 950 I N 5.032 125.509 120.570 -0.155 0.000 2.322 950 I HA 0.252 4.422 4.170 -0.001 0.000 0.292 950 I C 0.426 176.301 176.117 -0.403 0.000 1.060 950 I CA -0.340 60.801 61.300 -0.265 0.000 1.309 950 I CB 0.692 38.584 38.000 -0.180 0.000 1.415 950 I HN 0.597 nan 8.210 nan 0.000 0.492 951 N N 5.071 123.504 118.700 -0.445 0.000 2.495 951 N HA 0.618 5.358 4.740 -0.001 0.000 0.280 951 N C -1.058 173.989 175.510 -0.771 0.000 1.168 951 N CA -0.285 52.470 53.050 -0.492 0.000 0.978 951 N CB 1.201 39.482 38.487 -0.343 0.000 1.191 951 N HN 0.260 nan 8.380 nan 0.000 0.497 952 F N -0.248 119.398 119.950 -0.506 0.000 2.675 952 F HA 0.561 5.088 4.527 -0.001 0.000 0.324 952 F C -1.262 174.067 175.800 -0.784 0.000 1.106 952 F CA -0.598 57.158 58.000 -0.407 0.000 0.970 952 F CB 1.358 40.286 39.000 -0.120 0.000 1.385 952 F HN 0.417 nan 8.300 nan 0.000 0.489 953 W N 1.132 122.644 121.300 0.354 0.000 2.822 953 W HA 0.650 5.310 4.660 -0.001 0.000 0.317 953 W C -1.957 174.684 176.519 0.203 0.000 1.033 953 W CA -0.634 56.844 57.345 0.221 0.000 1.252 953 W CB 1.393 30.922 29.460 0.114 0.000 1.186 953 W HN 0.159 nan 8.180 nan 0.000 0.383 954 V N 4.574 124.726 119.914 0.396 0.000 2.407 954 V HA 0.440 4.559 4.120 -0.001 0.000 0.291 954 V C -2.042 174.244 176.094 0.320 0.000 1.018 954 V CA -2.305 60.205 62.300 0.350 0.000 0.842 954 V CB 1.919 33.908 31.823 0.276 0.000 0.996 954 V HN 0.136 nan 8.190 nan 0.000 0.426 955 P HA 0.245 nan 4.420 nan 0.000 0.267 955 P C -0.036 177.402 177.300 0.230 0.000 1.200 955 P CA 0.462 63.664 63.100 0.170 0.000 0.772 955 P CB 1.246 32.962 31.700 0.026 0.000 0.855 956 V N 0.434 120.393 119.914 0.075 0.000 5.804 956 V HA 0.110 4.229 4.120 -0.001 0.000 0.088 956 V C 0.007 176.079 176.094 -0.036 0.000 0.886 956 V CA -0.259 62.075 62.300 0.058 0.000 1.231 956 V CB -0.674 31.159 31.823 0.017 0.000 2.101 956 V HN 0.323 nan 8.190 nan 0.000 0.525 957 E N 2.266 122.446 120.200 -0.032 0.000 2.568 957 E HA 0.156 4.505 4.350 -0.001 0.000 0.262 957 E C -0.753 175.786 176.600 -0.102 0.000 0.961 957 E CA 0.475 56.846 56.400 -0.048 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 4.307 125.465 121.223 -0.108 0.000 2.492 958 L HA 0.223 4.563 4.340 -0.001 0.000 0.259 958 L C -0.522 176.271 176.870 -0.129 0.000 1.229 958 L CA -0.180 54.555 54.840 -0.175 0.000 0.903 958 L CB 0.062 41.968 42.059 -0.254 0.000 1.114 958 L HN 0.535 nan 8.230 nan 0.000 0.494 959 N N 3.194 121.829 118.700 -0.108 0.000 2.746 959 N HA -0.264 4.476 4.740 -0.001 0.000 0.250 959 N C 0.642 176.152 175.510 0.000 0.000 1.055 959 N CA 1.585 54.608 53.050 -0.045 0.000 0.699 959 N CB -1.005 37.453 38.487 -0.049 0.000 0.919 959 N HN 0.971 nan 8.380 nan 0.000 0.548 960 Q N -2.103 117.697 119.800 -0.001 0.000 2.261 960 Q HA -0.341 3.999 4.340 -0.001 0.000 0.155 960 Q C -0.721 175.300 176.000 0.034 0.000 0.598 960 Q CA 2.177 57.991 55.803 0.018 0.000 1.376 960 Q CB -0.996 27.760 28.738 0.029 0.000 1.356 960 Q HN 0.623 nan 8.270 nan 0.000 0.947 961 E N 0.925 121.150 120.200 0.041 0.000 1.996 961 E HA 0.555 4.905 4.350 -0.001 0.000 0.280 961 E C -0.581 176.070 176.600 0.085 0.000 1.092 961 E CA 0.692 57.146 56.400 0.090 0.000 0.862 961 E CB 0.687 30.466 29.700 0.133 0.000 1.066 961 E HN 0.423 nan 8.360 nan 0.000 0.396 962 A N 3.696 126.574 122.820 0.096 0.000 2.531 962 A HA 0.073 4.392 4.320 -0.001 0.000 0.236 962 A C 1.009 178.666 177.584 0.123 0.000 1.062 962 A CA -0.219 51.869 52.037 0.085 0.000 0.760 962 A CB 0.561 19.622 19.000 0.101 0.000 0.995 962 A HN 0.606 nan 8.150 nan 0.000 0.501 963 V N 1.848 121.759 119.914 -0.005 0.000 2.326 963 V HA 0.096 4.216 4.120 -0.001 0.000 0.238 963 V C 0.490 176.763 176.094 0.298 0.000 1.038 963 V CA 1.777 63.952 62.300 -0.207 0.000 1.032 963 V CB -0.381 31.128 31.823 -0.524 0.000 0.675 963 V HN 1.037 nan 8.190 nan 0.000 0.467 964 W N -0.329 120.965 121.300 -0.011 0.000 3.259 964 W HA 0.757 5.417 4.660 -0.001 0.000 0.331 964 W C -1.410 175.133 176.519 0.041 0.000 1.144 964 W CA -2.207 55.170 57.345 0.053 0.000 1.227 964 W CB 0.219 29.719 29.460 0.067 0.000 1.371 964 W HN 0.077 nan 8.180 nan 0.000 0.491 965 M N 3.122 122.785 119.600 0.104 0.000 2.613 965 M HA 0.309 4.788 4.480 -0.001 0.000 0.301 965 M C 0.143 176.386 176.300 -0.095 0.000 1.205 965 M CA -0.473 54.821 55.300 -0.010 0.000 0.950 965 M CB 0.572 33.201 32.600 0.049 0.000 1.585 965 M HN 0.404 nan 8.290 nan 0.000 0.490 966 D N 0.191 120.541 120.400 -0.083 0.000 2.692 966 D HA -0.107 4.533 4.640 -0.001 0.000 0.233 966 D C -1.070 175.138 176.300 -0.153 0.000 1.172 966 D CA 0.420 54.370 54.000 -0.084 0.000 0.636 966 D CB -1.525 39.249 40.800 -0.042 0.000 1.028 966 D HN 0.281 nan 8.370 nan 0.000 0.419 967 V N 0.446 120.213 119.914 -0.245 0.000 2.432 967 V HA 0.279 4.399 4.120 -0.001 0.000 0.271 967 V C 0.870 176.843 176.094 -0.202 0.000 1.046 967 V CA 0.101 62.172 62.300 -0.382 0.000 0.945 967 V CB 1.583 32.972 31.823 -0.724 0.000 0.992 967 V HN 0.085 nan 8.190 nan 0.000 0.471 968 E N 2.544 122.606 120.200 -0.231 0.000 2.431 968 E HA 0.686 5.035 4.350 -0.001 0.000 0.268 968 E C -1.526 174.892 176.600 -0.303 0.000 0.953 968 E CA -0.883 55.408 56.400 -0.181 0.000 0.810 968 E CB 2.805 32.457 29.700 -0.080 0.000 1.369 968 E HN 0.406 nan 8.360 nan 0.000 0.440 969 V N 1.119 120.871 119.914 -0.269 0.000 2.443 969 V HA 0.366 4.485 4.120 -0.001 0.000 0.293 969 V C -0.747 175.275 176.094 -0.120 0.000 1.021 969 V CA -0.243 61.894 62.300 -0.272 0.000 0.848 969 V CB 1.497 33.067 31.823 -0.423 0.000 0.998 969 V HN 0.635 nan 8.190 nan 0.000 0.424 970 S N 4.779 120.456 115.700 -0.039 0.000 2.584 970 S HA 0.396 4.865 4.470 -0.001 0.000 0.273 970 S C -0.325 174.362 174.600 0.145 0.000 1.311 970 S CA -0.112 58.111 58.200 0.037 0.000 1.034 970 S CB 0.364 63.590 63.200 0.043 0.000 0.939 970 S HN 1.015 nan 8.310 nan 0.000 0.513 971 H N 4.278 123.359 119.070 0.019 0.000 2.336 971 H HA 0.514 5.069 4.556 -0.001 0.000 0.230 971 H C -2.778 172.610 175.328 0.100 0.000 1.426 971 H CA -2.105 53.991 56.048 0.080 0.000 1.359 971 H CB 0.056 29.796 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 0.061 177.276 177.300 -0.141 0.000 1.260 972 P CA -0.015 63.052 63.100 -0.055 0.000 0.793 972 P CB 0.674 32.386 31.700 0.021 0.000 1.048 973 Q N -2.030 117.711 119.800 -0.098 0.000 2.422 973 Q HA -0.207 4.133 4.340 -0.001 0.000 0.245 973 Q C -0.615 175.304 176.000 -0.136 0.000 0.922 973 Q CA 1.379 57.132 55.803 -0.083 0.000 1.192 973 Q CB -2.163 26.550 28.738 -0.041 0.000 1.641 973 Q HN 0.616 nan 8.270 nan 0.000 0.552 974 N N -0.584 117.952 118.700 -0.273 0.000 2.745 974 N HA 0.321 5.061 4.740 -0.001 0.000 0.256 974 N C -2.741 172.610 175.510 -0.265 0.000 1.268 974 N CA -1.085 51.778 53.050 -0.312 0.000 0.887 974 N CB 1.790 39.953 38.487 -0.539 0.000 1.575 974 N HN -0.223 nan 8.380 nan 0.000 0.496 975 P HA -0.034 nan 4.420 nan 0.000 0.270 975 P C -0.101 177.253 177.300 0.089 0.000 1.216 975 P CA 0.051 63.166 63.100 0.025 0.000 0.788 975 P CB 0.187 31.926 31.700 0.066 0.000 0.883 976 S N 0.809 116.550 115.700 0.067 0.000 2.503 976 S HA 0.247 4.717 4.470 -0.001 0.000 0.317 976 S C 0.224 174.876 174.600 0.086 0.000 1.162 976 S CA -0.589 57.660 58.200 0.080 0.000 1.124 976 S CB -0.892 62.330 63.200 0.037 0.000 1.207 976 S HN 0.174 nan 8.310 nan 0.000 0.538 977 L N 3.074 124.370 121.223 0.122 0.000 2.439 977 L HA 0.490 4.829 4.340 -0.001 0.000 0.259 977 L C 0.993 177.847 176.870 -0.028 0.000 1.129 977 L CA -0.177 54.681 54.840 0.029 0.000 0.803 977 L CB 0.560 42.590 42.059 -0.049 0.000 1.161 977 L HN 0.611 nan 8.230 nan 0.000 0.462 978 R N 0.281 120.756 120.500 -0.042 0.000 2.312 978 R HA 0.562 4.901 4.340 -0.001 0.000 0.311 978 R C -1.238 175.023 176.300 -0.066 0.000 1.004 978 R CA -0.481 55.594 56.100 -0.043 0.000 0.902 978 R CB 0.902 31.185 30.300 -0.029 0.000 1.073 978 R HN 0.486 nan 8.270 nan 0.000 0.457 979 c N 1.039 119.609 118.600 -0.051 0.000 2.634 979 c HA 0.516 5.086 4.570 -0.001 0.000 0.313 979 c C 0.412 174.486 174.090 -0.026 0.000 1.198 979 c CA -0.582 55.725 56.329 -0.036 0.000 1.605 979 c CB 2.046 44.552 42.510 -0.007 0.000 2.196 979 c HN 0.818 nan 8.230 nan 0.000 0.486 980 S N 1.137 116.808 115.700 -0.050 0.000 2.690 980 S HA 0.860 5.330 4.470 -0.001 0.000 0.291 980 S C -0.419 174.049 174.600 -0.220 0.000 1.138 980 S CA -0.284 57.850 58.200 -0.109 0.000 1.013 980 S CB 0.946 64.078 63.200 -0.113 0.000 1.053 980 S HN 1.078 nan 8.310 nan 0.000 0.539 981 S N 1.881 117.412 115.700 -0.283 0.000 2.575 981 S HA 0.675 5.145 4.470 -0.001 0.000 0.278 981 S C -1.555 172.844 174.600 -0.335 0.000 1.139 981 S CA -0.855 57.057 58.200 -0.480 0.000 0.954 981 S CB 1.435 64.362 63.200 -0.455 0.000 1.054 981 S HN 0.726 nan 8.310 nan 0.000 0.483 982 E N 1.352 121.337 120.200 -0.357 0.000 2.311 982 E HA 0.324 4.674 4.350 -0.001 0.000 0.281 982 E C -1.347 175.150 176.600 -0.171 0.000 0.905 982 E CA -0.756 55.518 56.400 -0.211 0.000 0.778 982 E CB 2.306 31.913 29.700 -0.155 0.000 1.240 982 E HN 0.577 nan 8.360 nan 0.000 0.410 983 K N 2.698 123.031 120.400 -0.113 0.000 2.144 983 K HA 0.623 4.943 4.320 -0.001 0.000 0.270 983 K C -0.051 176.537 176.600 -0.020 0.000 1.005 983 K CA -0.417 55.831 56.287 -0.064 0.000 0.932 983 K CB 0.953 33.418 32.500 -0.058 0.000 1.021 983 K HN 0.463 nan 8.250 nan 0.000 0.462 984 I N -2.097 118.481 120.570 0.013 0.000 2.752 984 I HA 0.576 4.746 4.170 -0.001 0.000 0.295 984 I C -1.269 174.858 176.117 0.018 0.000 1.219 984 I CA -1.159 60.158 61.300 0.029 0.000 1.030 984 I CB 2.339 40.385 38.000 0.076 0.000 1.259 984 I HN 0.515 nan 8.210 nan 0.000 0.423 985 A N 5.339 128.161 122.820 0.005 0.000 2.260 985 A HA 0.873 5.193 4.320 -0.001 0.000 0.314 985 A C -2.299 175.278 177.584 -0.013 0.000 1.257 985 A CA -1.340 50.692 52.037 -0.008 0.000 0.871 985 A CB -0.127 18.868 19.000 -0.008 0.000 1.166 985 A HN 0.687 nan 8.150 nan 0.000 0.522 986 P HA 0.198 nan 4.420 nan 0.000 0.280 986 P C -1.584 175.698 177.300 -0.030 0.000 1.278 986 P CA -0.798 62.277 63.100 -0.041 0.000 0.787 986 P CB -0.032 31.628 31.700 -0.067 0.000 1.163 987 P HA -0.020 nan 4.420 nan 0.000 0.226 987 P C 0.255 177.554 177.300 -0.002 0.000 1.153 987 P CA 1.328 64.417 63.100 -0.018 0.000 0.777 987 P CB -0.321 31.367 31.700 -0.021 0.000 0.794 988 A N -1.271 121.550 122.820 0.002 0.000 2.969 988 A HA -0.142 4.178 4.320 -0.001 0.000 0.252 988 A C 0.796 178.413 177.584 0.055 0.000 1.377 988 A CA 0.552 52.614 52.037 0.042 0.000 0.859 988 A CB -2.677 16.347 19.000 0.039 0.000 1.077 988 A HN 0.319 nan 8.150 nan 0.000 0.671 989 S N 0.065 115.785 115.700 0.033 0.000 2.617 989 S HA 0.307 4.777 4.470 -0.001 0.000 0.255 989 S C 0.404 175.032 174.600 0.047 0.000 1.318 989 S CA 0.319 58.540 58.200 0.036 0.000 0.978 989 S CB 0.227 63.452 63.200 0.042 0.000 0.961 989 S HN 0.687 nan 8.310 nan 0.000 0.582 990 D N 1.091 121.496 120.400 0.008 0.000 2.357 990 D HA 0.041 4.681 4.640 -0.001 0.000 0.265 990 D C 0.808 177.083 176.300 -0.041 0.000 1.334 990 D CA -0.416 53.530 54.000 -0.089 0.000 0.984 990 D CB -0.402 40.351 40.800 -0.079 0.000 1.077 990 D HN 0.436 nan 8.370 nan 0.000 0.514 991 F N 2.911 122.882 119.950 0.036 0.000 2.407 991 F HA 0.015 4.541 4.527 -0.001 0.000 0.299 991 F C 1.768 177.629 175.800 0.102 0.000 1.097 991 F CA -0.136 57.895 58.000 0.051 0.000 1.422 991 F CB -0.739 38.257 39.000 -0.005 0.000 1.067 991 F HN 0.320 nan 8.300 nan 0.000 0.539 992 L N 1.385 122.398 121.223 -0.351 0.000 1.963 992 L HA -0.231 4.108 4.340 -0.001 0.000 0.220 992 L C 2.664 179.556 176.870 0.036 0.000 1.076 992 L CA 2.189 56.952 54.840 -0.127 0.000 0.772 992 L CB -0.839 41.074 42.059 -0.244 0.000 0.892 992 L HN 0.264 nan 8.230 nan 0.000 0.435 993 A N -1.801 121.026 122.820 0.011 0.000 2.014 993 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 993 A C 2.171 179.803 177.584 0.080 0.000 1.163 993 A CA 1.145 53.205 52.037 0.037 0.000 0.652 993 A CB -0.951 18.055 19.000 0.009 0.000 0.808 993 A HN 0.755 nan 8.150 nan 0.000 0.449 994 H N 1.156 120.251 119.070 0.042 0.000 2.251 994 H HA -0.174 4.382 4.556 -0.001 0.000 0.294 994 H C 1.941 177.310 175.328 0.068 0.000 1.078 994 H CA 2.365 58.449 56.048 0.060 0.000 1.246 994 H CB -0.269 29.550 29.762 0.095 0.000 1.358 994 H HN 0.572 nan 8.280 nan 0.000 0.488 995 I N -0.370 120.369 120.570 0.281 0.000 3.291 995 I HA -0.047 4.122 4.170 -0.001 0.000 0.279 995 I C 2.428 178.607 176.117 0.105 0.000 1.294 995 I CA 0.871 62.289 61.300 0.196 0.000 1.428 995 I CB -0.319 37.827 38.000 0.245 0.000 1.070 995 I HN 0.217 nan 8.210 nan 0.000 0.478 996 Q N 1.912 121.764 119.800 0.087 0.000 2.119 996 Q HA -0.173 4.166 4.340 -0.001 0.000 0.201 996 Q C 2.031 178.040 176.000 0.016 0.000 0.972 996 Q CA 1.399 57.233 55.803 0.052 0.000 0.847 996 Q CB 0.099 28.864 28.738 0.045 0.000 0.903 996 Q HN 0.576 nan 8.270 nan 0.000 0.433 997 K N 0.194 120.584 120.400 -0.016 0.000 1.978 997 K HA -0.127 4.193 4.320 -0.001 0.000 0.214 997 K C 0.644 177.227 176.600 -0.030 0.000 1.049 997 K CA 1.115 57.375 56.287 -0.044 0.000 0.939 997 K CB -0.041 32.396 32.500 -0.105 0.000 0.721 997 K HN 0.067 nan 8.250 nan 0.000 0.441 998 N N -0.778 117.903 118.700 -0.030 0.000 2.410 998 N HA 0.174 4.914 4.740 -0.001 0.000 0.287 998 N C -2.518 173.012 175.510 0.034 0.000 1.044 998 N CA -2.107 50.940 53.050 -0.006 0.000 0.881 998 N CB 1.849 40.322 38.487 -0.024 0.000 1.405 998 N HN -0.262 nan 8.380 nan 0.000 0.490 999 P HA -0.123 nan 4.420 nan 0.000 0.224 999 P C 0.366 177.717 177.300 0.085 0.000 1.142 999 P CA 0.711 63.851 63.100 0.067 0.000 0.778 999 P CB -0.016 31.710 31.700 0.044 0.000 0.764 1000 V N -2.148 117.807 119.914 0.068 0.000 3.061 1000 V HA -0.048 4.071 4.120 -0.001 0.000 0.306 1000 V C 0.371 176.519 176.094 0.091 0.000 1.118 1000 V CA 0.066 62.407 62.300 0.069 0.000 1.231 1000 V CB -0.080 31.775 31.823 0.053 0.000 0.956 1000 V HN -0.059 nan 8.190 nan 0.000 0.499 1001 L N 3.776 125.035 121.223 0.059 0.000 2.556 1001 L HA 0.453 4.793 4.340 -0.001 0.000 0.243 1001 L C -0.152 176.713 176.870 -0.009 0.000 1.331 1001 L CA -0.543 54.307 54.840 0.017 0.000 0.927 1001 L CB 0.329 42.357 42.059 -0.052 0.000 1.219 1001 L HN 1.066 nan 8.230 nan 0.000 0.490 1002 D N -0.292 120.120 120.400 0.020 0.000 2.393 1002 D HA -0.023 4.617 4.640 -0.001 0.000 0.246 1002 D C 1.107 177.390 176.300 -0.027 0.000 1.275 1002 D CA -0.456 53.546 54.000 0.004 0.000 0.979 1002 D CB 0.622 41.429 40.800 0.013 0.000 1.101 1002 D HN 0.268 nan 8.370 nan 0.000 0.505 1003 c N -0.441 118.142 118.600 -0.029 0.000 2.491 1003 c HA -0.029 4.540 4.570 -0.001 0.000 0.277 1003 c C 2.455 176.502 174.090 -0.072 0.000 1.455 1003 c CA 0.825 57.136 56.329 -0.029 0.000 1.758 1003 c CB -1.803 40.711 42.510 0.005 0.000 1.745 1003 c HN 0.737 nan 8.230 nan 0.000 0.558 1004 S N 0.135 115.781 115.700 -0.091 0.000 2.515 1004 S HA 0.039 4.509 4.470 -0.001 0.000 0.231 1004 S C 1.413 175.911 174.600 -0.170 0.000 0.987 1004 S CA 0.977 59.106 58.200 -0.118 0.000 0.936 1004 S CB -0.292 62.850 63.200 -0.097 0.000 0.766 1004 S HN 0.509 nan 8.310 nan 0.000 0.528 1005 I N 1.056 121.524 120.570 -0.170 0.000 3.136 1005 I HA 0.406 4.576 4.170 -0.001 0.000 0.262 1005 I C 1.295 177.305 176.117 -0.179 0.000 1.132 1005 I CA 0.371 61.556 61.300 -0.192 0.000 1.450 1005 I CB -1.148 36.746 38.000 -0.178 0.000 1.315 1005 I HN 0.350 nan 8.210 nan 0.000 0.460 1006 A N 0.848 123.565 122.820 -0.173 0.000 2.301 1006 A HA 0.618 4.938 4.320 -0.001 0.000 0.312 1006 A C 0.602 178.124 177.584 -0.102 0.000 1.182 1006 A CA -0.149 51.779 52.037 -0.182 0.000 0.826 1006 A CB 0.280 19.131 19.000 -0.249 0.000 1.134 1006 A HN 0.367 nan 8.150 nan 0.000 0.501 1007 G N 0.990 109.739 108.800 -0.085 0.000 2.138 1007 G HA2 0.242 4.202 3.960 -0.001 0.000 0.263 1007 G HA3 0.242 4.202 3.960 -0.001 0.000 0.263 1007 G C 0.382 175.280 174.900 -0.002 0.000 1.103 1007 G CA 0.316 45.394 45.100 -0.037 0.000 1.014 1007 G HN 0.898 nan 8.290 nan 0.000 0.418 1008 c N 2.644 121.270 118.600 0.043 0.000 2.517 1008 c HA 0.769 5.339 4.570 -0.001 0.000 0.357 1008 c C 0.379 174.535 174.090 0.111 0.000 1.485 1008 c CA -0.738 55.661 56.329 0.117 0.000 2.148 1008 c CB 0.628 43.260 42.510 0.203 0.000 2.019 1008 c HN 0.679 nan 8.230 nan 0.000 0.576 1009 L N 2.871 124.186 121.223 0.153 0.000 2.504 1009 L HA 0.443 4.783 4.340 -0.001 0.000 0.265 1009 L C -0.334 176.505 176.870 -0.051 0.000 0.975 1009 L CA -0.284 54.557 54.840 0.002 0.000 0.864 1009 L CB 0.553 42.599 42.059 -0.022 0.000 1.212 1009 L HN 0.742 nan 8.230 nan 0.000 0.416 1010 R N 3.994 124.349 120.500 -0.242 0.000 2.265 1010 R HA 0.381 4.721 4.340 -0.001 0.000 0.314 1010 R C -1.696 174.288 176.300 -0.526 0.000 1.053 1010 R CA -0.244 55.555 56.100 -0.501 0.000 0.931 1010 R CB 0.630 30.533 30.300 -0.661 0.000 1.024 1010 R HN 0.374 nan 8.270 nan 0.000 0.457 1011 F N 3.906 123.675 119.950 -0.300 0.000 2.388 1011 F HA 0.358 4.885 4.527 -0.001 0.000 0.358 1011 F C 0.727 176.415 175.800 -0.187 0.000 1.122 1011 F CA -0.675 57.234 58.000 -0.151 0.000 1.056 1011 F CB 1.408 40.413 39.000 0.008 0.000 1.155 1011 F HN 0.352 nan 8.300 nan 0.000 0.461 1012 R N 3.587 124.044 120.500 -0.072 0.000 2.522 1012 R HA 0.441 4.781 4.340 -0.001 0.000 0.290 1012 R C -1.397 174.859 176.300 -0.074 0.000 1.216 1012 R CA -0.244 55.790 56.100 -0.111 0.000 1.250 1012 R CB -0.012 30.208 30.300 -0.133 0.000 1.143 1012 R HN 0.718 nan 8.270 nan 0.000 0.553 1013 c N 4.350 122.902 118.600 -0.079 0.000 2.227 1013 c HA 0.249 4.819 4.570 -0.001 0.000 0.333 1013 c C 0.148 174.160 174.090 -0.129 0.000 1.145 1013 c CA -0.998 55.254 56.329 -0.128 0.000 1.643 1013 c CB -0.609 41.764 42.510 -0.229 0.000 2.185 1013 c HN 0.695 nan 8.230 nan 0.000 0.497 1014 D N 1.282 121.624 120.400 -0.097 0.000 2.361 1014 D HA 0.379 5.018 4.640 -0.001 0.000 0.239 1014 D C -0.207 176.056 176.300 -0.061 0.000 1.200 1014 D CA 0.275 54.236 54.000 -0.065 0.000 0.915 1014 D CB 1.108 41.884 40.800 -0.041 0.000 1.170 1014 D HN 0.263 nan 8.370 nan 0.000 0.444 1015 V N 2.327 122.226 119.914 -0.024 0.000 2.668 1015 V HA 0.139 4.258 4.120 -0.001 0.000 0.304 1015 V C -1.484 174.635 176.094 0.042 0.000 1.071 1015 V CA -1.128 61.177 62.300 0.009 0.000 0.894 1015 V CB 2.197 34.026 31.823 0.011 0.000 1.008 1015 V HN 0.426 nan 8.190 nan 0.000 0.425 1016 P HA -0.058 nan 4.420 nan 0.000 0.210 1016 P C 0.470 177.810 177.300 0.067 0.000 1.189 1016 P CA 1.058 64.191 63.100 0.054 0.000 0.920 1016 P CB 0.412 32.144 31.700 0.053 0.000 0.782 1017 S N -1.592 114.161 115.700 0.087 0.000 2.673 1017 S HA 0.335 4.805 4.470 -0.001 0.000 0.256 1017 S C -1.094 173.587 174.600 0.135 0.000 1.141 1017 S CA -0.694 57.556 58.200 0.084 0.000 1.109 1017 S CB -0.523 62.703 63.200 0.044 0.000 1.101 1017 S HN -0.039 nan 8.310 nan 0.000 0.471 1018 F N 5.612 125.543 119.950 -0.030 0.000 2.662 1018 F HA 0.396 4.923 4.527 -0.001 0.000 0.365 1018 F C 0.923 176.701 175.800 -0.035 0.000 1.222 1018 F CA -0.319 57.665 58.000 -0.027 0.000 1.315 1018 F CB -0.675 38.294 39.000 -0.052 0.000 1.711 1018 F HN 0.585 nan 8.300 nan 0.000 0.651 1019 S N 1.992 117.587 115.700 -0.175 0.000 2.593 1019 S HA 0.035 4.505 4.470 -0.001 0.000 0.303 1019 S C 0.361 174.732 174.600 -0.381 0.000 1.267 1019 S CA -0.518 57.558 58.200 -0.207 0.000 1.047 1019 S CB 0.236 63.366 63.200 -0.116 0.000 0.777 1019 S HN 0.271 nan 8.310 nan 0.000 0.498 1020 V N 6.255 126.032 119.914 -0.228 0.000 2.872 1020 V HA 0.099 4.219 4.120 -0.001 0.000 0.307 1020 V C 1.220 177.219 176.094 -0.159 0.000 1.072 1020 V CA 0.707 62.883 62.300 -0.206 0.000 1.148 1020 V CB 0.455 32.236 31.823 -0.069 0.000 0.954 1020 V HN 1.144 nan 8.190 nan 0.000 0.490 1021 Q N -0.243 119.459 119.800 -0.163 0.000 2.559 1021 Q HA -0.247 4.093 4.340 -0.001 0.000 0.151 1021 Q C 0.655 176.566 176.000 -0.147 0.000 0.725 1021 Q CA 1.765 57.509 55.803 -0.098 0.000 1.230 1021 Q CB -0.972 27.759 28.738 -0.010 0.000 1.099 1021 Q HN 0.905 nan 8.270 nan 0.000 1.047 1022 E N 2.022 122.065 120.200 -0.262 0.000 2.406 1022 E HA -0.033 4.317 4.350 -0.001 0.000 0.258 1022 E C 0.115 176.631 176.600 -0.140 0.000 1.043 1022 E CA 0.242 56.509 56.400 -0.222 0.000 0.929 1022 E CB 0.415 29.932 29.700 -0.306 0.000 0.969 1022 E HN 0.226 nan 8.360 nan 0.000 0.462 1023 E N 5.570 125.753 120.200 -0.027 0.000 2.311 1023 E HA 0.042 4.391 4.350 -0.001 0.000 0.198 1023 E C 0.054 176.719 176.600 0.109 0.000 1.115 1023 E CA -0.321 56.102 56.400 0.038 0.000 1.140 1023 E CB 0.014 29.676 29.700 -0.063 0.000 1.204 1023 E HN 0.627 nan 8.360 nan 0.000 0.446 1024 L N 2.972 124.348 121.223 0.255 0.000 2.841 1024 L HA -0.128 4.212 4.340 -0.001 0.000 0.282 1024 L C -0.459 176.491 176.870 0.133 0.000 1.130 1024 L CA 0.416 55.436 54.840 0.299 0.000 0.996 1024 L CB 0.044 42.404 42.059 0.502 0.000 1.364 1024 L HN 0.229 nan 8.230 nan 0.000 0.466 1025 D N 4.531 124.979 120.400 0.079 0.000 2.490 1025 D HA 0.700 5.340 4.640 -0.001 0.000 0.232 1025 D C -0.677 175.659 176.300 0.059 0.000 1.053 1025 D CA -0.471 53.443 54.000 -0.145 0.000 0.914 1025 D CB 1.678 42.409 40.800 -0.116 0.000 1.431 1025 D HN 0.287 nan 8.370 nan 0.000 0.483 1026 F N -2.496 117.583 119.950 0.214 0.000 2.773 1026 F HA 0.688 5.215 4.527 -0.001 0.000 0.314 1026 F C -0.821 175.079 175.800 0.167 0.000 1.160 1026 F CA -1.020 57.111 58.000 0.218 0.000 0.920 1026 F CB 1.530 40.705 39.000 0.291 0.000 1.323 1026 F HN 0.457 nan 8.300 nan 0.000 0.457 1027 T N 0.987 115.767 114.554 0.377 0.000 2.901 1027 T HA 0.838 5.188 4.350 -0.001 0.000 0.293 1027 T C -1.883 172.868 174.700 0.086 0.000 1.084 1027 T CA -0.685 61.540 62.100 0.209 0.000 1.008 1027 T CB 1.554 70.504 68.868 0.136 0.000 1.170 1027 T HN 1.149 nan 8.240 nan 0.000 0.509 1028 L N 1.259 122.487 121.223 0.008 0.000 2.408 1028 L HA 0.932 5.272 4.340 -0.001 0.000 0.268 1028 L C -0.837 176.034 176.870 0.002 0.000 0.986 1028 L CA -0.873 53.893 54.840 -0.122 0.000 0.820 1028 L CB 1.717 43.553 42.059 -0.373 0.000 1.303 1028 L HN 0.821 nan 8.230 nan 0.000 0.411 1029 K N 0.758 121.120 120.400 -0.063 0.000 2.512 1029 K HA 1.013 5.333 4.320 -0.001 0.000 0.263 1029 K C -0.828 175.696 176.600 -0.126 0.000 0.966 1029 K CA -0.812 55.493 56.287 0.030 0.000 0.851 1029 K CB 2.410 34.934 32.500 0.040 0.000 1.395 1029 K HN 1.050 nan 8.250 nan 0.000 0.440 1030 G N 0.995 109.787 108.800 -0.012 0.000 2.716 1030 G HA2 0.200 4.160 3.960 -0.001 0.000 0.299 1030 G HA3 0.200 4.160 3.960 -0.001 0.000 0.299 1030 G C -1.695 173.327 174.900 0.204 0.000 1.450 1030 G CA -1.034 44.004 45.100 -0.104 0.000 0.968 1030 G HN 0.485 nan 8.290 nan 0.000 0.566 1031 N N 0.343 119.120 118.700 0.128 0.000 2.365 1031 N HA 0.030 4.770 4.740 -0.001 0.000 0.265 1031 N C -0.075 175.616 175.510 0.301 0.000 1.288 1031 N CA 0.140 53.298 53.050 0.181 0.000 0.869 1031 N CB 1.189 39.749 38.487 0.122 0.000 1.071 1031 N HN 0.516 nan 8.380 nan 0.000 0.480 1032 L N 1.860 123.260 121.223 0.295 0.000 2.255 1032 L HA 0.231 4.570 4.340 -0.001 0.000 0.289 1032 L C 0.441 177.355 176.870 0.074 0.000 1.046 1032 L CA -0.326 54.677 54.840 0.272 0.000 0.816 1032 L CB 0.656 42.771 42.059 0.092 0.000 1.197 1032 L HN 0.409 nan 8.230 nan 0.000 0.427 1033 S N 3.223 119.054 115.700 0.218 0.000 2.576 1033 S HA 0.215 4.685 4.470 -0.001 0.000 0.276 1033 S C 0.640 175.278 174.600 0.063 0.000 1.339 1033 S CA -0.087 58.251 58.200 0.230 0.000 1.039 1033 S CB 0.431 63.816 63.200 0.310 0.000 0.902 1033 S HN 0.556 nan 8.310 nan 0.000 0.516 1034 F N 2.314 122.322 119.950 0.096 0.000 2.695 1034 F HA 0.283 4.810 4.527 -0.001 0.000 0.303 1034 F C 2.223 177.926 175.800 -0.161 0.000 1.091 1034 F CA 0.057 58.013 58.000 -0.072 0.000 1.300 1034 F CB -0.256 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 1.397 110.280 108.800 0.138 0.000 2.421 1035 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.216 1035 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.216 1035 G C 1.481 176.413 174.900 0.054 0.000 1.171 1035 G CA 0.753 45.916 45.100 0.106 0.000 0.775 1035 G HN 0.620 nan 8.290 nan 0.000 0.543 1036 W N 1.235 122.577 121.300 0.070 0.000 2.538 1036 W HA 0.046 4.706 4.660 -0.000 0.000 0.254 1036 W C 1.290 177.832 176.519 0.040 0.000 1.249 1036 W CA 0.692 58.061 57.345 0.040 0.000 1.253 1036 W CB -0.939 28.532 29.460 0.019 0.000 1.130 1036 W HN 0.090 nan 8.180 nan 0.000 0.618 1037 V N 2.028 121.444 119.914 -0.830 0.000 2.469 1037 V HA -0.291 3.829 4.120 -0.001 0.000 0.251 1037 V C 2.861 178.783 176.094 -0.286 0.000 1.064 1037 V CA 2.494 64.268 62.300 -0.876 0.000 1.066 1037 V CB -1.041 30.384 31.823 -0.663 0.000 0.667 1037 V HN 0.239 nan 8.190 nan 0.000 0.461 1038 R N -0.025 120.401 120.500 -0.123 0.000 2.161 1038 R HA -0.136 4.204 4.340 -0.001 0.000 0.213 1038 R C 2.302 178.636 176.300 0.057 0.000 1.055 1038 R CA 0.971 57.060 56.100 -0.018 0.000 0.996 1038 R CB -0.116 30.183 30.300 -0.002 0.000 0.901 1038 R HN 0.491 nan 8.270 nan 0.000 0.456 1039 Q N 1.253 121.116 119.800 0.105 0.000 2.248 1039 Q HA -0.167 4.173 4.340 -0.001 0.000 0.208 1039 Q C 1.532 177.659 176.000 0.212 0.000 0.984 1039 Q CA 2.025 57.929 55.803 0.168 0.000 0.875 1039 Q CB -0.118 28.745 28.738 0.209 0.000 0.910 1039 Q HN 0.620 nan 8.270 nan 0.000 0.433 1040 I N -4.554 116.140 120.570 0.207 0.000 4.070 1040 I HA 0.258 4.428 4.170 -0.001 0.000 0.328 1040 I C 0.112 176.330 176.117 0.168 0.000 1.298 1040 I CA -0.353 61.096 61.300 0.248 0.000 1.173 1040 I CB 0.516 38.688 38.000 0.287 0.000 1.051 1040 I HN 0.040 nan 8.210 nan 0.000 0.409 1041 L N 1.133 122.423 121.223 0.112 0.000 3.533 1041 L HA -0.220 4.120 4.340 -0.001 0.000 0.477 1041 L C -0.518 176.399 176.870 0.078 0.000 1.306 1041 L CA 1.166 56.056 54.840 0.082 0.000 0.850 1041 L CB -1.511 40.598 42.059 0.083 0.000 1.654 1041 L HN 0.749 nan 8.230 nan 0.000 0.863 1042 Q N -0.153 119.688 119.800 0.069 0.000 2.737 1042 Q HA 0.639 4.979 4.340 -0.001 0.000 0.307 1042 Q C -1.039 174.990 176.000 0.047 0.000 0.905 1042 Q CA -1.200 54.642 55.803 0.066 0.000 0.753 1042 Q CB 1.960 30.742 28.738 0.073 0.000 1.463 1042 Q HN 0.094 nan 8.270 nan 0.000 0.455 1043 K N 0.755 121.184 120.400 0.048 0.000 2.444 1043 K HA 0.375 4.695 4.320 -0.001 0.000 0.252 1043 K C -0.745 175.850 176.600 -0.008 0.000 0.993 1043 K CA -0.780 55.525 56.287 0.030 0.000 0.847 1043 K CB 1.533 34.091 32.500 0.097 0.000 1.340 1043 K HN 0.683 nan 8.250 nan 0.000 0.446 1044 K N 0.123 120.495 120.400 -0.046 0.000 3.230 1044 K HA -0.159 4.161 4.320 -0.001 0.000 0.285 1044 K C -0.197 176.382 176.600 -0.036 0.000 1.196 1044 K CA 0.235 56.481 56.287 -0.069 0.000 0.838 1044 K CB -0.873 31.589 32.500 -0.064 0.000 1.262 1044 K HN 0.415 nan 8.250 nan 0.000 0.492 1045 V N 1.325 121.228 119.914 -0.017 0.000 3.237 1045 V HA 0.365 4.485 4.120 -0.001 0.000 0.305 1045 V C 0.067 176.189 176.094 0.046 0.000 1.096 1045 V CA 0.882 63.213 62.300 0.052 0.000 1.130 1045 V CB 1.503 33.399 31.823 0.122 0.000 1.048 1045 V HN 0.487 nan 8.190 nan 0.000 0.484 1046 S N 4.202 119.957 115.700 0.092 0.000 2.677 1046 S HA 0.527 4.996 4.470 -0.001 0.000 0.283 1046 S C -0.984 173.668 174.600 0.087 0.000 1.159 1046 S CA -0.611 57.631 58.200 0.070 0.000 1.001 1046 S CB 1.165 64.390 63.200 0.043 0.000 1.032 1046 S HN 1.034 nan 8.310 nan 0.000 0.487 1047 V N 3.783 123.739 119.914 0.070 0.000 2.509 1047 V HA 0.740 4.860 4.120 -0.001 0.000 0.284 1047 V C -0.635 175.463 176.094 0.007 0.000 1.047 1047 V CA -0.239 62.060 62.300 -0.002 0.000 0.952 1047 V CB 1.427 33.184 31.823 -0.109 0.000 0.988 1047 V HN 0.901 nan 8.190 nan 0.000 0.469 1048 V N 5.843 125.756 119.914 -0.002 0.000 2.715 1048 V HA 0.666 4.785 4.120 -0.001 0.000 0.310 1048 V C -0.104 175.997 176.094 0.012 0.000 1.054 1048 V CA -0.280 62.032 62.300 0.019 0.000 0.928 1048 V CB 2.406 34.248 31.823 0.032 0.000 1.007 1048 V HN 1.037 nan 8.190 nan 0.000 0.437 1049 S N 3.065 118.764 115.700 -0.003 0.000 2.473 1049 S HA 0.798 5.267 4.470 -0.001 0.000 0.307 1049 S C -0.968 173.758 174.600 0.210 0.000 1.094 1049 S CA -0.650 57.599 58.200 0.081 0.000 1.070 1049 S CB 1.677 64.832 63.200 -0.074 0.000 1.019 1049 S HN 0.426 nan 8.310 nan 0.000 0.480 1050 V N 2.234 122.313 119.914 0.275 0.000 2.472 1050 V HA 0.827 4.947 4.120 -0.001 0.000 0.290 1050 V C 0.239 176.534 176.094 0.336 0.000 1.037 1050 V CA -0.515 61.943 62.300 0.263 0.000 0.908 1050 V CB 1.245 33.173 31.823 0.175 0.000 0.985 1050 V HN 1.199 nan 8.190 nan 0.000 0.454 1051 A N 4.608 127.456 122.820 0.047 0.000 2.332 1051 A HA 0.791 5.110 4.320 -0.001 0.000 0.300 1051 A C -0.412 177.042 177.584 -0.216 0.000 1.153 1051 A CA -0.622 51.279 52.037 -0.227 0.000 0.764 1051 A CB 0.850 19.332 19.000 -0.864 0.000 1.174 1051 A HN 0.947 nan 8.150 nan 0.000 0.467 1052 E N 2.970 123.066 120.200 -0.173 0.000 2.224 1052 E HA 0.629 4.979 4.350 -0.001 0.000 0.265 1052 E C -1.185 175.306 176.600 -0.182 0.000 0.878 1052 E CA -0.632 55.708 56.400 -0.100 0.000 0.759 1052 E CB 1.950 31.685 29.700 0.058 0.000 1.164 1052 E HN 0.587 nan 8.360 nan 0.000 0.414 1053 I N 2.983 123.467 120.570 -0.143 0.000 2.499 1053 I HA 0.368 4.538 4.170 -0.001 0.000 0.296 1053 I C -0.466 175.629 176.117 -0.037 0.000 0.992 1053 I CA -0.019 61.214 61.300 -0.112 0.000 1.297 1053 I CB 1.303 39.255 38.000 -0.080 0.000 1.410 1053 I HN 0.885 nan 8.210 nan 0.000 0.507 1054 T N 3.491 118.033 114.554 -0.021 0.000 2.865 1054 T HA 0.756 5.106 4.350 -0.001 0.000 0.294 1054 T C -0.802 173.953 174.700 0.092 0.000 1.119 1054 T CA -0.658 61.364 62.100 -0.132 0.000 1.007 1054 T CB 1.802 70.583 68.868 -0.145 0.000 1.225 1054 T HN 0.548 nan 8.240 nan 0.000 0.515 1055 F N -1.503 118.443 119.950 -0.008 0.000 2.713 1055 F HA 0.594 5.121 4.527 -0.001 0.000 0.311 1055 F C -0.846 174.999 175.800 0.074 0.000 1.141 1055 F CA -1.466 56.551 58.000 0.027 0.000 0.939 1055 F CB 0.360 39.373 39.000 0.023 0.000 1.325 1055 F HN 0.563 nan 8.300 nan 0.000 0.453 1056 D N 1.649 122.223 120.400 0.291 0.000 2.455 1056 D HA 0.010 4.650 4.640 -0.001 0.000 0.265 1056 D C 1.471 177.884 176.300 0.187 0.000 1.284 1056 D CA 1.046 55.161 54.000 0.192 0.000 0.944 1056 D CB 1.042 41.970 40.800 0.213 0.000 1.121 1056 D HN 0.784 nan 8.370 nan 0.000 0.525 1057 T N 1.904 116.486 114.554 0.046 0.000 2.760 1057 T HA -0.201 4.148 4.350 -0.001 0.000 0.269 1057 T C 0.937 175.688 174.700 0.085 0.000 1.047 1057 T CA 1.563 63.678 62.100 0.026 0.000 1.139 1057 T CB -0.059 68.794 68.868 -0.026 0.000 0.855 1057 T HN 0.315 nan 8.240 nan 0.000 0.471 1058 S N -1.184 114.560 115.700 0.074 0.000 2.586 1058 S HA 0.476 4.946 4.470 -0.001 0.000 0.274 1058 S C 1.078 175.699 174.600 0.036 0.000 1.281 1058 S CA -0.212 58.017 58.200 0.048 0.000 1.035 1058 S CB 1.044 64.259 63.200 0.024 0.000 0.962 1058 S HN 0.613 nan 8.310 nan 0.000 0.512 1059 V N 2.413 122.316 119.914 -0.018 0.000 0.434 1059 V HA -0.270 3.850 4.120 -0.001 0.000 0.092 1059 V C -0.180 175.818 176.094 -0.160 0.000 2.581 1059 V CA 2.032 64.244 62.300 -0.146 0.000 3.733 1059 V CB -2.366 29.246 31.823 -0.353 0.000 1.002 1059 V HN 0.878 nan 8.190 nan 0.000 1.053 1060 Y N 0.594 121.031 120.300 0.229 0.000 2.621 1060 Y HA 0.824 5.374 4.550 -0.000 0.000 0.334 1060 Y C 0.330 176.403 175.900 0.288 0.000 1.074 1060 Y CA -0.343 57.912 58.100 0.258 0.000 1.149 1060 Y CB 2.046 40.653 38.460 0.246 0.000 1.302 1060 Y HN 0.627 nan 8.280 nan 0.000 0.501 1061 S N -0.346 115.659 115.700 0.509 0.000 2.712 1061 S HA 0.250 4.719 4.470 -0.001 0.000 0.279 1061 S C -1.737 173.065 174.600 0.337 0.000 1.025 1061 S CA -1.283 57.177 58.200 0.432 0.000 0.861 1061 S CB 1.241 64.577 63.200 0.228 0.000 1.091 1061 S HN 0.659 nan 8.310 nan 0.000 0.457 1062 Q N 0.028 120.010 119.800 0.303 0.000 2.260 1062 Q HA 0.564 4.904 4.340 -0.001 0.000 0.242 1062 Q C 0.987 177.056 176.000 0.116 0.000 0.932 1062 Q CA -0.617 55.296 55.803 0.184 0.000 0.891 1062 Q CB 1.058 29.890 28.738 0.158 0.000 1.222 1062 Q HN 0.725 nan 8.270 nan 0.000 0.453 1063 L N 2.133 123.419 121.223 0.105 0.000 2.130 1063 L HA 0.279 4.619 4.340 -0.001 0.000 0.200 1063 L C -0.983 175.921 176.870 0.056 0.000 1.075 1063 L CA 0.426 55.322 54.840 0.093 0.000 0.768 1063 L CB -1.667 40.465 42.059 0.121 0.000 0.933 1063 L HN 0.548 nan 8.230 nan 0.000 0.451 1064 P HA 0.195 nan 4.420 nan 0.000 0.247 1064 P C 0.859 178.158 177.300 -0.001 0.000 1.225 1064 P CA 1.268 64.380 63.100 0.019 0.000 0.768 1064 P CB 0.276 31.981 31.700 0.007 0.000 1.020 1065 G N 0.105 108.907 108.800 0.003 0.000 2.780 1065 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.237 1065 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.237 1065 G C -0.922 173.974 174.900 -0.007 0.000 1.965 1065 G CA -0.478 44.620 45.100 -0.004 0.000 1.577 1065 G HN 0.401 nan 8.290 nan 0.000 0.543 1066 Q N 0.779 120.564 119.800 -0.025 0.000 2.444 1066 Q HA 0.468 4.808 4.340 -0.001 0.000 0.239 1066 Q C -1.820 174.142 176.000 -0.064 0.000 0.853 1066 Q CA -0.286 55.499 55.803 -0.029 0.000 0.856 1066 Q CB 2.313 31.042 28.738 -0.015 0.000 1.413 1066 Q HN 0.545 nan 8.270 nan 0.000 0.437 1067 E N 1.253 121.391 120.200 -0.103 0.000 2.113 1067 E HA 0.424 4.774 4.350 -0.001 0.000 0.273 1067 E C -0.091 176.486 176.600 -0.038 0.000 0.924 1067 E CA -0.428 55.856 56.400 -0.193 0.000 0.764 1067 E CB 1.435 30.855 29.700 -0.467 0.000 1.104 1067 E HN 0.697 nan 8.360 nan 0.000 0.406 1068 A N 3.850 126.722 122.820 0.086 0.000 2.291 1068 A HA 0.030 4.349 4.320 -0.001 0.000 0.220 1068 A C 0.647 178.390 177.584 0.264 0.000 1.262 1068 A CA -0.026 52.094 52.037 0.139 0.000 0.867 1068 A CB -0.384 18.683 19.000 0.112 0.000 0.888 1068 A HN 0.519 nan 8.150 nan 0.000 0.487 1069 F N 0.322 120.245 119.950 -0.044 0.000 2.583 1069 F HA -0.068 4.459 4.527 -0.001 0.000 0.297 1069 F C 1.853 177.624 175.800 -0.049 0.000 1.131 1069 F CA 0.536 58.506 58.000 -0.050 0.000 1.467 1069 F CB -0.574 38.367 39.000 -0.099 0.000 1.097 1069 F HN 0.428 nan 8.300 nan 0.000 0.586 1070 M N -0.535 119.147 119.600 0.137 0.000 2.853 1070 M HA 0.332 4.811 4.480 -0.001 0.000 0.274 1070 M C 0.144 176.454 176.300 0.017 0.000 1.289 1070 M CA 0.289 55.627 55.300 0.063 0.000 1.031 1070 M CB 0.222 32.876 32.600 0.091 0.000 1.352 1070 M HN -0.019 nan 8.290 nan 0.000 0.485 1071 R N 1.194 121.706 120.500 0.020 0.000 3.107 1071 R HA 0.588 4.927 4.340 -0.001 0.000 0.224 1071 R C -1.301 175.005 176.300 0.009 0.000 1.734 1071 R CA -0.015 56.085 56.100 0.000 0.000 1.303 1071 R CB 0.684 30.993 30.300 0.015 0.000 1.570 1071 R HN 0.447 nan 8.270 nan 0.000 0.606 1072 A N 1.667 124.485 122.820 -0.002 0.000 2.250 1072 A HA 0.566 4.886 4.320 -0.001 0.000 0.283 1072 A C -0.531 177.139 177.584 0.144 0.000 1.206 1072 A CA -0.238 51.849 52.037 0.084 0.000 0.840 1072 A CB 0.953 20.076 19.000 0.205 0.000 1.220 1072 A HN 0.648 nan 8.150 nan 0.000 0.505 1073 Q N -1.732 118.217 119.800 0.248 0.000 2.426 1073 Q HA 0.519 4.859 4.340 -0.001 0.000 0.278 1073 Q C -1.938 174.149 176.000 0.145 0.000 1.007 1073 Q CA -0.448 55.483 55.803 0.213 0.000 0.850 1073 Q CB 2.127 30.914 28.738 0.082 0.000 1.427 1073 Q HN 0.687 nan 8.270 nan 0.000 0.391 1074 T N 1.831 116.452 114.554 0.113 0.000 3.011 1074 T HA 0.318 4.667 4.350 -0.001 0.000 0.303 1074 T C -1.182 173.495 174.700 -0.039 0.000 0.997 1074 T CA -0.456 61.579 62.100 -0.108 0.000 1.007 1074 T CB 1.565 70.474 68.868 0.067 0.000 1.017 1074 T HN 0.454 nan 8.240 nan 0.000 0.443 1075 T N 3.097 117.534 114.554 -0.195 0.000 2.821 1075 T HA 0.479 4.829 4.350 -0.001 0.000 0.307 1075 T C 0.022 174.885 174.700 0.272 0.000 1.034 1075 T CA -0.232 61.889 62.100 0.036 0.000 0.953 1075 T CB 0.209 69.084 68.868 0.011 0.000 0.968 1075 T HN 0.515 nan 8.240 nan 0.000 0.462 1076 T N 4.015 118.788 114.554 0.365 0.000 2.918 1076 T HA 0.597 4.947 4.350 -0.001 0.000 0.283 1076 T C -0.301 174.448 174.700 0.081 0.000 1.001 1076 T CA -0.502 61.791 62.100 0.322 0.000 1.041 1076 T CB 1.227 70.222 68.868 0.211 0.000 1.028 1076 T HN 0.495 nan 8.240 nan 0.000 0.511 1077 V N 2.862 122.728 119.914 -0.080 0.000 2.680 1077 V HA 0.432 4.552 4.120 -0.001 0.000 0.309 1077 V C -0.466 175.365 176.094 -0.439 0.000 1.052 1077 V CA -0.736 61.453 62.300 -0.184 0.000 0.908 1077 V CB 1.774 33.496 31.823 -0.167 0.000 1.001 1077 V HN 0.628 nan 8.190 nan 0.000 0.431 1078 L N 2.924 123.957 121.223 -0.316 0.000 3.141 1078 L HA 0.351 4.690 4.340 -0.001 0.000 0.263 1078 L C 0.687 177.397 176.870 -0.266 0.000 1.312 1078 L CA 0.389 55.004 54.840 -0.375 0.000 1.012 1078 L CB 0.445 42.367 42.059 -0.227 0.000 1.408 1078 L HN 0.754 nan 8.230 nan 0.000 0.559 1079 E N 2.331 122.360 120.200 -0.286 0.000 2.159 1079 E HA 0.091 4.441 4.350 -0.001 0.000 0.272 1079 E C -0.614 175.853 176.600 -0.221 0.000 1.138 1079 E CA 0.157 56.422 56.400 -0.226 0.000 0.915 1079 E CB 0.290 29.832 29.700 -0.263 0.000 1.028 1079 E HN 0.128 nan 8.360 nan 0.000 0.423 1080 K N 4.901 125.247 120.400 -0.090 0.000 2.668 1080 K HA 0.147 4.467 4.320 -0.001 0.000 0.246 1080 K C -1.417 175.254 176.600 0.117 0.000 0.976 1080 K CA -0.700 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 0.445 nan 8.250 nan 0.000 0.452 1081 Y N 2.322 122.647 120.300 0.042 0.000 2.612 1081 Y HA 0.339 4.888 4.550 -0.001 0.000 0.334 1081 Y C 0.463 176.415 175.900 0.087 0.000 1.227 1081 Y CA -0.066 58.094 58.100 0.101 0.000 1.356 1081 Y CB 0.749 39.347 38.460 0.230 0.000 1.534 1081 Y HN 0.535 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 -0.001 0.000 0.191 1082 K CA 0.000 56.066 56.287 -0.369 0.000 0.838 1082 K CB 0.000 32.438 32.500 -0.104 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543