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 3k72_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 XXXXXXXFEL EMAQEGFSAV FTPDGPVLGA DATA SEQUENCE VGSFTWSGGA FLYPPNMSPT FINMSQENVD MRDSYLGYST ELALWKGVQS DATA SEQUENCE LVLGAPRYQH TGKAVIFTQV SRQWRMKAEV TGTQIGSYFG ASLCSVDVDS DATA SEQUENCE DGSTDLVLIG APHYYEQTRG GQVSVcPLPR GWRRWWcDAV LYGEQGHPWG DATA SEQUENCE RFGAALTVLG DVNGDKLTDV VIGAPGEEEN RGAVYLFHGV LGPSISPSHS DATA SEQUENCE QRIAGSQLSS RLQYFGQALS GGQDLTQDGL VDLAVGARGQ VLLLRTRPVL DATA SEQUENCE WVGVSMQFIP AEIPRSAFEc REQVVSEQTL VQSNIcLYID KRSKNLLGSR DATA SEQUENCE DLQSSVTLDL ALDPGRLSPR ATFQETKNRS LSRVRVLGLK AHcENFNLLL DATA SEQUENCE PScVEDSVTP ITLRLNFTLV GKPLLAFRNL RPMLAADAQR YFTASLPFEK DATA SEQUENCE NcGADHIcQD NLGISFSFPG LKSLLVGSNL ELNAEVMVWN DGEDSYGTTI DATA SEQUENCE TFSHPAGLSY RYVAEGQKQG QLRSLHLTcD SAPVGSQGTW STScRINHLI DATA SEQUENCE FRGGAQITFL ATFDVSPKAV LGDRLLLTAN VSSENNTPRT SKTTFQLELP DATA SEQUENCE VKYAVYTVVS SHEQFTKYLN FSESEEKESH VAMHRYQVNN LGQRDLPVSI DATA SEQUENCE NFWVPVELNQ EAVWMDVEVS HPQNPSLRcS SEKIAPPASD FLAHIQKNPV DATA SEQUENCE LDcSIAGcLR FRcDVPSFSV QEELDFTLKG NLSFGWVRQI LQKKVSVVSV DATA SEQUENCE AEITFDTSVY SQLPGQEAFM RAQTTTVLEK YK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.851 175.800 0.086 0.000 0.967 1 F CA 0.000 58.072 58.000 0.120 0.000 1.383 1 F CB 0.000 39.051 39.000 0.085 0.000 1.145 2 N N 2.403 121.060 118.700 -0.072 0.000 2.806 2 N HA 0.349 5.089 4.740 -0.001 0.000 0.315 2 N C -1.123 174.390 175.510 0.004 0.000 1.738 2 N CA -0.071 52.981 53.050 0.002 0.000 0.993 2 N CB 0.901 39.355 38.487 -0.055 0.000 1.324 2 N HN 0.421 nan 8.380 nan 0.000 0.493 3 L N 0.760 122.003 121.223 0.034 0.000 2.276 3 L HA 0.250 4.589 4.340 -0.001 0.000 0.286 3 L C 0.080 176.975 176.870 0.041 0.000 1.024 3 L CA -0.921 53.939 54.840 0.035 0.000 0.826 3 L CB 1.172 43.258 42.059 0.045 0.000 1.211 3 L HN 0.091 nan 8.230 nan 0.000 0.422 4 D N 1.916 122.336 120.400 0.035 0.000 2.533 4 D HA -0.022 4.617 4.640 -0.001 0.000 0.236 4 D C 0.135 176.451 176.300 0.027 0.000 1.137 4 D CA 0.604 54.623 54.000 0.032 0.000 0.867 4 D CB 0.904 41.721 40.800 0.028 0.000 1.170 4 D HN 0.467 nan 8.370 nan 0.000 0.474 5 T N 4.263 118.829 114.554 0.021 0.000 3.448 5 T HA 0.230 4.579 4.350 -0.001 0.000 0.271 5 T C 0.197 174.895 174.700 -0.003 0.000 1.002 5 T CA -0.583 61.521 62.100 0.006 0.000 0.995 5 T CB 0.319 69.190 68.868 0.005 0.000 1.153 5 T HN 0.369 nan 8.240 nan 0.000 0.510 6 E N 0.816 121.016 120.200 0.000 0.000 3.706 6 E HA 0.091 4.440 4.350 -0.001 0.000 0.266 6 E C -0.132 176.463 176.600 -0.009 0.000 1.251 6 E CA 0.067 56.464 56.400 -0.006 0.000 1.870 6 E CB 0.200 29.902 29.700 0.004 0.000 1.842 6 E HN 0.148 nan 8.360 nan 0.000 0.862 7 E N 2.360 122.562 120.200 0.004 0.000 2.026 7 E HA 0.304 4.654 4.350 -0.001 0.000 0.253 7 E C -0.057 176.553 176.600 0.016 0.000 1.056 7 E CA -0.132 56.271 56.400 0.004 0.000 0.927 7 E CB 0.057 29.767 29.700 0.017 0.000 1.172 7 E HN 0.111 nan 8.360 nan 0.000 0.445 8 L N -1.276 119.947 121.223 0.000 0.000 2.257 8 L HA 0.711 5.051 4.340 -0.001 0.000 0.257 8 L C 0.273 177.127 176.870 -0.026 0.000 1.033 8 L CA -1.026 53.819 54.840 0.010 0.000 0.835 8 L CB 0.825 42.888 42.059 0.005 0.000 1.398 8 L HN -0.016 nan 8.230 nan 0.000 0.429 9 T N -1.833 112.700 114.554 -0.035 0.000 2.902 9 T HA 0.906 5.256 4.350 -0.001 0.000 0.283 9 T C -0.292 174.254 174.700 -0.258 0.000 1.009 9 T CA -0.141 61.853 62.100 -0.176 0.000 1.051 9 T CB 1.479 70.241 68.868 -0.176 0.000 0.999 9 T HN 1.148 nan 8.240 nan 0.000 0.474 10 A N 2.178 124.764 122.820 -0.390 0.000 2.381 10 A HA 0.690 5.009 4.320 -0.001 0.000 0.299 10 A C -1.242 176.112 177.584 -0.383 0.000 1.049 10 A CA -0.858 51.009 52.037 -0.283 0.000 0.715 10 A CB 0.718 19.639 19.000 -0.132 0.000 1.222 10 A HN 0.718 nan 8.150 nan 0.000 0.428 11 F N 2.288 122.277 119.950 0.065 0.000 2.308 11 F HA 0.402 4.928 4.527 -0.001 0.000 0.370 11 F C 1.216 177.037 175.800 0.035 0.000 1.100 11 F CA -0.511 57.519 58.000 0.051 0.000 1.108 11 F CB 1.427 40.504 39.000 0.129 0.000 1.293 11 F HN 0.650 nan 8.300 nan 0.000 0.478 12 R N 1.883 122.431 120.500 0.079 0.000 3.436 12 R HA 0.521 4.860 4.340 -0.001 0.000 0.247 12 R C -1.460 174.702 176.300 -0.229 0.000 1.434 12 R CA -0.353 55.725 56.100 -0.036 0.000 1.543 12 R CB 0.023 30.302 30.300 -0.035 0.000 1.289 12 R HN 0.294 nan 8.270 nan 0.000 0.664 13 V N 2.387 121.953 119.914 -0.580 0.000 2.353 13 V HA 0.019 4.139 4.120 -0.001 0.000 0.264 13 V C 0.132 175.729 176.094 -0.828 0.000 1.049 13 V CA -0.455 61.325 62.300 -0.866 0.000 0.896 13 V CB 0.907 31.908 31.823 -1.371 0.000 1.025 13 V HN 0.524 nan 8.190 nan 0.000 0.475 14 D N 3.915 124.082 120.400 -0.388 0.000 2.435 14 D HA 0.143 4.782 4.640 -0.001 0.000 0.230 14 D C 0.260 176.488 176.300 -0.119 0.000 1.215 14 D CA 0.277 54.162 54.000 -0.193 0.000 0.947 14 D CB 0.471 41.207 40.800 -0.106 0.000 1.048 14 D HN 0.476 nan 8.370 nan 0.000 0.512 15 S N 2.187 117.865 115.700 -0.037 0.000 2.327 15 S HA 0.579 5.048 4.470 -0.001 0.000 0.203 15 S C 0.566 175.267 174.600 0.167 0.000 1.326 15 S CA -0.036 58.224 58.200 0.100 0.000 1.248 15 S CB 0.543 63.882 63.200 0.232 0.000 1.199 15 S HN 0.702 nan 8.310 nan 0.000 0.422 16 A N 1.589 124.478 122.820 0.115 0.000 5.022 16 A HA -0.205 4.115 4.320 -0.001 0.000 0.312 16 A C 1.463 179.136 177.584 0.148 0.000 1.965 16 A CA 0.845 52.949 52.037 0.113 0.000 0.712 16 A CB -1.788 17.272 19.000 0.100 0.000 1.305 16 A HN 1.246 nan 8.150 nan 0.000 0.364 17 G N -1.067 107.822 108.800 0.149 0.000 3.424 17 G HA2 0.438 4.397 3.960 -0.001 0.000 0.263 17 G HA3 0.438 4.397 3.960 -0.001 0.000 0.263 17 G C 0.137 175.139 174.900 0.169 0.000 1.310 17 G CA 0.711 45.897 45.100 0.143 0.000 1.089 17 G HN 1.072 nan 8.290 nan 0.000 0.534 18 F N 1.043 121.039 119.950 0.076 0.000 2.496 18 F HA 0.423 4.950 4.527 -0.001 0.000 0.344 18 F C 1.296 177.142 175.800 0.077 0.000 1.155 18 F CA 0.724 58.777 58.000 0.088 0.000 1.302 18 F CB 0.978 40.027 39.000 0.082 0.000 1.159 18 F HN 0.263 nan 8.300 nan 0.000 0.595 19 G N 3.968 112.284 108.800 -0.808 0.000 2.323 19 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.292 19 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.292 19 G C 0.359 175.197 174.900 -0.104 0.000 1.040 19 G CA 0.656 45.516 45.100 -0.401 0.000 0.942 19 G HN 0.853 nan 8.290 nan 0.000 0.506 20 D N -0.941 119.395 120.400 -0.107 0.000 2.423 20 D HA 0.277 4.916 4.640 -0.001 0.000 0.212 20 D C 0.768 177.041 176.300 -0.045 0.000 1.060 20 D CA 1.152 55.142 54.000 -0.015 0.000 0.872 20 D CB 0.579 41.391 40.800 0.019 0.000 1.012 20 D HN 0.409 nan 8.370 nan 0.000 0.503 21 S N -0.006 115.640 115.700 -0.091 0.000 2.603 21 S HA 0.574 5.044 4.470 -0.001 0.000 0.274 21 S C -1.711 172.834 174.600 -0.092 0.000 1.168 21 S CA -0.594 57.556 58.200 -0.083 0.000 0.963 21 S CB 1.171 64.317 63.200 -0.090 0.000 1.078 21 S HN -0.072 nan 8.310 nan 0.000 0.477 22 V N 4.872 124.749 119.914 -0.061 0.000 3.078 22 V HA 1.003 5.123 4.120 -0.001 0.000 0.311 22 V C -1.243 174.851 176.094 -0.001 0.000 1.138 22 V CA -0.272 62.005 62.300 -0.039 0.000 1.007 22 V CB 2.072 33.879 31.823 -0.027 0.000 1.045 22 V HN 0.951 nan 8.190 nan 0.000 0.432 23 V N 3.724 123.656 119.914 0.029 0.000 3.120 23 V HA 0.514 4.634 4.120 -0.001 0.000 0.303 23 V C -1.262 174.890 176.094 0.097 0.000 1.238 23 V CA -0.610 61.725 62.300 0.058 0.000 1.008 23 V CB 2.608 34.472 31.823 0.068 0.000 1.064 23 V HN 0.943 nan 8.190 nan 0.000 0.434 24 Q N 3.856 123.713 119.800 0.096 0.000 2.324 24 Q HA 0.192 4.531 4.340 -0.001 0.000 0.257 24 Q C -0.755 175.344 176.000 0.164 0.000 1.080 24 Q CA 0.068 55.942 55.803 0.118 0.000 0.907 24 Q CB 0.787 29.567 28.738 0.070 0.000 1.274 24 Q HN 0.683 nan 8.270 nan 0.000 0.434 25 Y N 1.977 122.317 120.300 0.068 0.000 2.220 25 Y HA 0.179 4.729 4.550 -0.001 0.000 0.347 25 Y C 0.424 176.362 175.900 0.064 0.000 1.311 25 Y CA -0.703 57.435 58.100 0.063 0.000 1.593 25 Y CB 0.331 38.857 38.460 0.110 0.000 1.419 25 Y HN 0.687 nan 8.280 nan 0.000 0.614 26 A N 2.913 125.262 122.820 -0.784 0.000 2.622 26 A HA -0.193 4.126 4.320 -0.001 0.000 0.235 26 A C 1.260 178.748 177.584 -0.159 0.000 1.013 26 A CA 0.506 52.194 52.037 -0.582 0.000 0.765 26 A CB -0.360 18.105 19.000 -0.893 0.000 0.921 26 A HN 0.885 nan 8.150 nan 0.000 0.506 27 N N 1.569 120.222 118.700 -0.078 0.000 2.242 27 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 27 N C 1.702 177.238 175.510 0.043 0.000 1.005 27 N CA 1.867 54.914 53.050 -0.006 0.000 0.877 27 N CB -0.295 38.180 38.487 -0.021 0.000 0.983 27 N HN 0.655 nan 8.380 nan 0.000 0.439 28 S N -1.074 114.685 115.700 0.097 0.000 2.453 28 S HA -0.003 4.467 4.470 -0.001 0.000 0.231 28 S C -0.026 174.518 174.600 -0.093 0.000 1.005 28 S CA 0.582 58.812 58.200 0.049 0.000 0.949 28 S CB 0.129 63.443 63.200 0.190 0.000 0.774 28 S HN 0.374 nan 8.310 nan 0.000 0.510 29 W N -1.082 120.304 121.300 0.144 0.000 3.083 29 W HA 0.659 5.319 4.660 -0.001 0.000 0.333 29 W C -1.094 175.548 176.519 0.205 0.000 1.217 29 W CA -0.689 56.777 57.345 0.201 0.000 1.170 29 W CB 1.133 30.775 29.460 0.304 0.000 1.437 29 W HN -0.315 nan 8.180 nan 0.000 0.557 30 V N 2.807 122.961 119.914 0.400 0.000 2.588 30 V HA 0.719 4.838 4.120 -0.001 0.000 0.304 30 V C -1.523 174.678 176.094 0.179 0.000 1.042 30 V CA -0.923 61.532 62.300 0.259 0.000 0.877 30 V CB 1.678 33.622 31.823 0.201 0.000 0.996 30 V HN 0.346 nan 8.190 nan 0.000 0.425 31 V N 7.527 127.509 119.914 0.113 0.000 2.394 31 V HA 0.540 4.659 4.120 -0.001 0.000 0.282 31 V C 0.124 176.211 176.094 -0.012 0.000 1.031 31 V CA -0.163 62.146 62.300 0.015 0.000 0.881 31 V CB 1.714 33.494 31.823 -0.073 0.000 0.982 31 V HN 0.873 nan 8.190 nan 0.000 0.451 32 V N 2.560 122.448 119.914 -0.043 0.000 3.093 32 V HA 1.050 5.170 4.120 -0.001 0.000 0.320 32 V C 0.351 176.347 176.094 -0.163 0.000 1.093 32 V CA -0.521 61.678 62.300 -0.168 0.000 1.016 32 V CB 1.743 33.320 31.823 -0.410 0.000 1.096 32 V HN 0.878 nan 8.190 nan 0.000 0.452 33 G N -0.021 108.644 108.800 -0.225 0.000 2.495 33 G HA2 0.755 4.715 3.960 -0.001 0.000 0.318 33 G HA3 0.755 4.715 3.960 -0.001 0.000 0.318 33 G C -0.592 174.238 174.900 -0.116 0.000 1.257 33 G CA -0.396 44.625 45.100 -0.132 0.000 0.962 33 G HN 1.645 nan 8.290 nan 0.000 0.483 34 A N 3.586 126.402 122.820 -0.007 0.000 3.082 34 A HA 0.675 4.994 4.320 -0.001 0.000 0.328 34 A C -1.779 175.838 177.584 0.054 0.000 1.089 34 A CA -1.149 50.937 52.037 0.081 0.000 0.802 34 A CB 1.389 20.540 19.000 0.251 0.000 1.138 34 A HN 0.363 nan 8.150 nan 0.000 0.474 35 P HA -0.172 nan 4.420 nan 0.000 0.216 35 P C 0.714 178.042 177.300 0.047 0.000 1.150 35 P CA 1.430 64.548 63.100 0.029 0.000 0.843 35 P CB 0.263 31.977 31.700 0.022 0.000 0.787 36 Q N -0.895 118.943 119.800 0.062 0.000 2.242 36 Q HA 0.113 4.452 4.340 -0.001 0.000 0.246 36 Q C 0.306 176.348 176.000 0.070 0.000 0.883 36 Q CA 0.110 55.952 55.803 0.064 0.000 0.984 36 Q CB -0.372 28.408 28.738 0.069 0.000 1.096 36 Q HN 0.139 nan 8.270 nan 0.000 0.452 37 K N 1.574 122.016 120.400 0.070 0.000 2.142 37 K HA 0.174 4.494 4.320 -0.001 0.000 0.250 37 K C -0.638 175.987 176.600 0.040 0.000 1.148 37 K CA -0.256 56.075 56.287 0.073 0.000 1.040 37 K CB -0.187 32.369 32.500 0.093 0.000 1.569 37 K HN 0.268 nan 8.250 nan 0.000 0.361 38 I N 3.477 124.069 120.570 0.037 0.000 2.996 38 I HA -0.174 3.995 4.170 -0.001 0.000 0.310 38 I C 0.390 176.514 176.117 0.012 0.000 1.225 38 I CA 1.032 62.346 61.300 0.022 0.000 1.442 38 I CB -0.014 37.998 38.000 0.020 0.000 1.334 38 I HN 0.564 nan 8.210 nan 0.000 0.550 39 T N 3.512 118.068 114.554 0.003 0.000 2.991 39 T HA 0.716 5.066 4.350 -0.001 0.000 0.303 39 T C -0.021 174.675 174.700 -0.006 0.000 1.015 39 T CA -0.122 61.974 62.100 -0.006 0.000 1.007 39 T CB 1.885 70.741 68.868 -0.020 0.000 1.034 39 T HN 1.229 nan 8.240 nan 0.000 0.446 40 A N 2.341 125.157 122.820 -0.007 0.000 5.699 40 A HA 0.246 4.565 4.320 -0.001 0.000 0.280 40 A C 0.758 178.339 177.584 -0.006 0.000 2.071 40 A CA 0.158 52.191 52.037 -0.006 0.000 0.714 40 A CB -1.690 17.306 19.000 -0.006 0.000 1.162 40 A HN 2.566 nan 8.150 nan 0.000 0.363 41 A N 0.166 122.982 122.820 -0.007 0.000 2.391 41 A HA 0.521 4.841 4.320 -0.001 0.000 0.316 41 A C 0.605 178.179 177.584 -0.018 0.000 1.381 41 A CA 0.488 52.518 52.037 -0.012 0.000 0.998 41 A CB -0.780 18.212 19.000 -0.012 0.000 1.147 41 A HN 1.684 nan 8.150 nan 0.000 0.545 42 N N 1.242 119.929 118.700 -0.021 0.000 2.689 42 N HA -0.204 4.535 4.740 -0.001 0.000 0.263 42 N C 0.332 175.827 175.510 -0.025 0.000 0.987 42 N CA 1.579 54.609 53.050 -0.032 0.000 0.782 42 N CB -0.604 37.845 38.487 -0.064 0.000 0.903 42 N HN 0.945 nan 8.380 nan 0.000 0.547 43 Q N -0.747 119.052 119.800 -0.001 0.000 3.078 43 Q HA 0.307 4.647 4.340 -0.001 0.000 0.202 43 Q C 1.019 177.039 176.000 0.033 0.000 1.165 43 Q CA -0.056 55.758 55.803 0.019 0.000 0.377 43 Q CB 0.445 29.192 28.738 0.015 0.000 5.614 43 Q HN 0.422 nan 8.270 nan 0.000 0.305 44 T N -2.549 112.023 114.554 0.030 0.000 2.801 44 T HA 0.429 4.779 4.350 -0.001 0.000 0.324 44 T C 0.801 175.509 174.700 0.014 0.000 1.088 44 T CA -0.049 62.069 62.100 0.031 0.000 0.975 44 T CB 0.484 69.361 68.868 0.015 0.000 1.316 44 T HN 0.642 nan 8.240 nan 0.000 0.533 45 G N -1.113 107.688 108.800 0.002 0.000 2.534 45 G HA2 0.620 4.580 3.960 -0.001 0.000 0.220 45 G HA3 0.620 4.580 3.960 -0.001 0.000 0.220 45 G C 0.534 175.406 174.900 -0.046 0.000 1.699 45 G CA -0.008 45.091 45.100 -0.001 0.000 0.769 45 G HN 1.631 nan 8.290 nan 0.000 0.632 46 G N -1.291 107.457 108.800 -0.086 0.000 2.317 46 G HA2 0.356 4.315 3.960 -0.001 0.000 0.445 46 G HA3 0.356 4.315 3.960 -0.001 0.000 0.445 46 G C -1.419 173.350 174.900 -0.218 0.000 1.486 46 G CA -0.738 44.249 45.100 -0.189 0.000 0.991 46 G HN 0.553 nan 8.290 nan 0.000 0.660 47 L N -0.441 120.588 121.223 -0.324 0.000 2.303 47 L HA 0.822 5.161 4.340 -0.001 0.000 0.266 47 L C -0.976 175.646 176.870 -0.414 0.000 1.011 47 L CA -1.192 53.487 54.840 -0.268 0.000 0.818 47 L CB 2.183 44.114 42.059 -0.213 0.000 1.326 47 L HN 0.581 nan 8.230 nan 0.000 0.435 48 Y N 0.094 120.381 120.300 -0.022 0.000 2.396 48 Y HA 0.281 4.831 4.550 -0.001 0.000 0.332 48 Y C -0.514 175.373 175.900 -0.022 0.000 1.034 48 Y CA -0.910 57.200 58.100 0.017 0.000 1.057 48 Y CB 2.071 40.638 38.460 0.178 0.000 1.220 48 Y HN 0.457 nan 8.280 nan 0.000 0.440 49 Q N 1.999 121.879 119.800 0.134 0.000 2.241 49 Q HA 0.788 5.128 4.340 -0.001 0.000 0.254 49 Q C -1.277 174.891 176.000 0.280 0.000 0.917 49 Q CA -0.566 55.316 55.803 0.131 0.000 0.919 49 Q CB 1.587 30.253 28.738 -0.120 0.000 1.237 49 Q HN 0.616 nan 8.270 nan 0.000 0.434 50 c N 2.463 121.217 118.600 0.257 0.000 2.498 50 c HA 0.874 5.444 4.570 -0.001 0.000 0.316 50 c C 0.415 174.469 174.090 -0.060 0.000 1.209 50 c CA -0.495 55.759 56.329 -0.124 0.000 1.518 50 c CB 1.180 43.106 42.510 -0.972 0.000 2.147 50 c HN 1.011 nan 8.230 nan 0.000 0.483 51 G N 0.161 108.796 108.800 -0.274 0.000 2.441 51 G HA2 0.471 4.430 3.960 -0.001 0.000 0.334 51 G HA3 0.471 4.430 3.960 -0.001 0.000 0.334 51 G C -0.222 174.677 174.900 -0.001 0.000 1.161 51 G CA -0.173 44.629 45.100 -0.496 0.000 0.935 51 G HN 0.796 nan 8.290 nan 0.000 0.488 52 Y N 1.117 121.355 120.300 -0.103 0.000 2.243 52 Y HA -0.054 4.496 4.550 -0.001 0.000 0.293 52 Y C 2.878 178.768 175.900 -0.017 0.000 1.124 52 Y CA 2.142 60.253 58.100 0.018 0.000 1.159 52 Y CB -0.098 38.349 38.460 -0.021 0.000 1.008 52 Y HN 0.459 nan 8.280 nan 0.000 0.527 53 S N -0.285 115.364 115.700 -0.085 0.000 2.401 53 S HA -0.250 4.219 4.470 -0.001 0.000 0.236 53 S C 0.893 175.371 174.600 -0.203 0.000 1.058 53 S CA 1.989 60.105 58.200 -0.140 0.000 1.151 53 S CB -1.197 61.959 63.200 -0.073 0.000 1.049 53 S HN 0.671 nan 8.310 nan 0.000 0.432 54 T N -0.519 113.962 114.554 -0.121 0.000 2.779 54 T HA 0.624 4.974 4.350 -0.001 0.000 0.280 54 T C 0.056 174.765 174.700 0.015 0.000 0.987 54 T CA -0.477 61.578 62.100 -0.075 0.000 0.966 54 T CB 1.787 70.639 68.868 -0.025 0.000 0.933 54 T HN 0.227 nan 8.240 nan 0.000 0.442 55 G N 1.748 110.540 108.800 -0.013 0.000 2.852 55 G HA2 0.520 4.479 3.960 -0.001 0.000 0.280 55 G HA3 0.520 4.479 3.960 -0.001 0.000 0.280 55 G C 0.033 175.095 174.900 0.271 0.000 0.731 55 G CA -0.198 44.962 45.100 0.101 0.000 2.037 55 G HN 1.252 nan 8.290 nan 0.000 0.560 56 A N 0.846 123.921 122.820 0.424 0.000 2.605 56 A HA 0.599 4.919 4.320 -0.001 0.000 0.294 56 A C -0.828 176.760 177.584 0.006 0.000 1.062 56 A CA -0.591 51.559 52.037 0.189 0.000 0.682 56 A CB 0.981 20.029 19.000 0.080 0.000 1.278 56 A HN 0.615 nan 8.150 nan 0.000 0.410 57 c N 1.890 120.438 118.600 -0.087 0.000 2.298 57 c HA 0.709 5.279 4.570 -0.001 0.000 0.323 57 c C -0.147 173.944 174.090 0.002 0.000 1.284 57 c CA -0.652 55.592 56.329 -0.140 0.000 1.577 57 c CB 0.591 42.933 42.510 -0.280 0.000 2.249 57 c HN 0.753 nan 8.230 nan 0.000 0.497 58 E N 3.328 123.615 120.200 0.144 0.000 2.197 58 E HA 0.348 4.698 4.350 -0.001 0.000 0.281 58 E C -2.305 174.471 176.600 0.294 0.000 0.995 58 E CA -1.917 54.593 56.400 0.184 0.000 0.808 58 E CB 1.059 30.849 29.700 0.150 0.000 1.093 58 E HN 0.403 nan 8.360 nan 0.000 0.394 59 P HA 0.074 nan 4.420 nan 0.000 0.269 59 P C -0.184 177.070 177.300 -0.077 0.000 1.217 59 P CA 0.153 63.292 63.100 0.065 0.000 0.783 59 P CB 0.600 32.320 31.700 0.033 0.000 0.898 60 I N 0.782 121.225 120.570 -0.213 0.000 2.404 60 I HA 0.486 4.656 4.170 -0.001 0.000 0.293 60 I C 0.416 176.405 176.117 -0.213 0.000 0.992 60 I CA -0.726 60.448 61.300 -0.210 0.000 1.149 60 I CB 1.305 39.155 38.000 -0.251 0.000 1.315 60 I HN 0.341 nan 8.210 nan 0.000 0.446 61 G N 7.806 116.500 108.800 -0.176 0.000 2.380 61 G HA2 0.435 4.395 3.960 -0.001 0.000 0.242 61 G HA3 0.435 4.395 3.960 -0.001 0.000 0.242 61 G C -0.931 173.850 174.900 -0.198 0.000 1.298 61 G CA -0.193 44.811 45.100 -0.160 0.000 0.878 61 G HN 0.577 nan 8.290 nan 0.000 0.542 62 L N 1.339 122.439 121.223 -0.205 0.000 2.482 62 L HA 0.253 4.593 4.340 -0.001 0.000 0.263 62 L C -0.799 175.951 176.870 -0.200 0.000 0.957 62 L CA -0.882 53.797 54.840 -0.269 0.000 0.836 62 L CB 2.633 44.452 42.059 -0.402 0.000 1.324 62 L HN 0.415 nan 8.230 nan 0.000 0.406 63 Q N 2.268 121.967 119.800 -0.168 0.000 2.963 63 Q HA 0.259 4.599 4.340 -0.001 0.000 0.262 63 Q C -0.595 175.375 176.000 -0.051 0.000 1.318 63 Q CA -0.185 55.568 55.803 -0.083 0.000 1.089 63 Q CB 0.678 29.394 28.738 -0.036 0.000 1.424 63 Q HN 0.309 nan 8.270 nan 0.000 0.560 64 V N 3.501 123.367 119.914 -0.079 0.000 2.409 64 V HA 0.101 4.221 4.120 -0.001 0.000 0.270 64 V C -1.831 174.285 176.094 0.037 0.000 1.019 64 V CA -1.350 60.943 62.300 -0.011 0.000 1.066 64 V CB -0.316 31.481 31.823 -0.044 0.000 1.021 64 V HN 0.495 nan 8.190 nan 0.000 0.476 65 P HA 0.186 nan 4.420 nan 0.000 0.268 65 P C -2.012 175.313 177.300 0.042 0.000 1.205 65 P CA -1.349 61.782 63.100 0.052 0.000 0.771 65 P CB 0.134 31.867 31.700 0.056 0.000 0.858 66 P HA -0.173 nan 4.420 nan 0.000 0.221 66 P C 1.215 178.536 177.300 0.035 0.000 1.145 66 P CA 1.306 64.421 63.100 0.025 0.000 0.795 66 P CB 0.048 31.757 31.700 0.016 0.000 0.775 67 E N 0.311 120.531 120.200 0.033 0.000 2.038 67 E HA -0.099 4.251 4.350 -0.001 0.000 0.195 67 E C 1.121 177.755 176.600 0.058 0.000 1.000 67 E CA 0.883 57.305 56.400 0.037 0.000 0.803 67 E CB -1.071 28.637 29.700 0.015 0.000 0.750 67 E HN 0.147 nan 8.360 nan 0.000 0.448 68 A N 2.338 125.193 122.820 0.058 0.000 2.444 68 A HA 0.316 4.636 4.320 -0.001 0.000 0.273 68 A C 0.021 177.663 177.584 0.096 0.000 1.136 68 A CA -0.065 52.019 52.037 0.079 0.000 0.799 68 A CB 0.198 19.249 19.000 0.085 0.000 1.081 68 A HN -0.031 nan 8.150 nan 0.000 0.509 69 V N 3.039 123.030 119.914 0.129 0.000 2.864 69 V HA 0.336 4.455 4.120 -0.001 0.000 0.314 69 V C 0.894 177.112 176.094 0.206 0.000 1.073 69 V CA -0.534 61.841 62.300 0.125 0.000 0.956 69 V CB 1.632 33.512 31.823 0.096 0.000 1.023 69 V HN 1.056 nan 8.190 nan 0.000 0.435 70 N N 2.244 121.008 118.700 0.108 0.000 2.693 70 N HA -0.253 4.486 4.740 -0.001 0.000 0.250 70 N C 0.891 176.550 175.510 0.249 0.000 1.033 70 N CA 1.551 54.668 53.050 0.112 0.000 0.747 70 N CB -0.421 37.980 38.487 -0.142 0.000 0.964 70 N HN 0.867 nan 8.380 nan 0.000 0.540 71 M N -2.167 117.539 119.600 0.178 0.000 2.558 71 M HA 0.153 4.633 4.480 -0.001 0.000 0.255 71 M C 0.301 176.664 176.300 0.105 0.000 1.113 71 M CA 0.744 56.128 55.300 0.140 0.000 1.097 71 M CB 0.138 32.806 32.600 0.114 0.000 1.426 71 M HN 0.063 nan 8.290 nan 0.000 0.488 72 S N 2.952 118.707 115.700 0.091 0.000 3.255 72 S HA -0.086 4.383 4.470 -0.001 0.000 0.358 72 S C 0.157 174.787 174.600 0.050 0.000 0.915 72 S CA 0.554 58.792 58.200 0.064 0.000 1.335 72 S CB -2.325 60.916 63.200 0.068 0.000 0.938 72 S HN 0.679 nan 8.310 nan 0.000 0.550 73 L N -0.962 120.292 121.223 0.052 0.000 2.476 73 L HA 0.766 5.106 4.340 -0.001 0.000 0.264 73 L C 1.511 178.386 176.870 0.007 0.000 1.224 73 L CA 0.739 55.612 54.840 0.056 0.000 0.821 73 L CB -0.239 41.882 42.059 0.103 0.000 1.101 73 L HN 0.658 nan 8.230 nan 0.000 0.488 74 G N -0.139 108.659 108.800 -0.002 0.000 2.268 74 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.240 74 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.240 74 G C 0.653 175.519 174.900 -0.057 0.000 1.010 74 G CA 0.491 45.569 45.100 -0.036 0.000 0.618 74 G HN 0.968 nan 8.290 nan 0.000 0.516 75 L N 1.679 122.867 121.223 -0.059 0.000 2.043 75 L HA 0.323 4.663 4.340 -0.001 0.000 0.212 75 L C 1.457 178.224 176.870 -0.173 0.000 1.075 75 L CA 2.884 57.661 54.840 -0.105 0.000 0.752 75 L CB -0.323 41.675 42.059 -0.103 0.000 0.891 75 L HN 0.557 nan 8.230 nan 0.000 0.432 76 S N -0.980 114.621 115.700 -0.165 0.000 2.454 76 S HA 0.662 5.132 4.470 -0.001 0.000 0.306 76 S C -0.712 173.833 174.600 -0.092 0.000 1.100 76 S CA -0.810 57.277 58.200 -0.188 0.000 1.087 76 S CB 0.513 63.572 63.200 -0.236 0.000 1.019 76 S HN 0.194 nan 8.310 nan 0.000 0.480 77 L N 2.829 124.012 121.223 -0.067 0.000 2.327 77 L HA 0.999 5.338 4.340 -0.001 0.000 0.258 77 L C -0.595 176.301 176.870 0.044 0.000 1.024 77 L CA -0.938 53.899 54.840 -0.005 0.000 0.825 77 L CB 2.213 44.268 42.059 -0.007 0.000 1.386 77 L HN 0.805 nan 8.230 nan 0.000 0.417 78 A N 0.809 123.706 122.820 0.130 0.000 2.583 78 A HA 0.643 4.963 4.320 -0.001 0.000 0.298 78 A C -1.464 176.370 177.584 0.416 0.000 1.055 78 A CA -0.358 51.828 52.037 0.248 0.000 0.714 78 A CB 1.832 20.977 19.000 0.243 0.000 1.277 78 A HN 0.445 nan 8.150 nan 0.000 0.406 79 S N 0.129 115.983 115.700 0.256 0.000 2.541 79 S HA 0.850 5.319 4.470 -0.001 0.000 0.280 79 S C -0.356 173.969 174.600 -0.459 0.000 1.112 79 S CA 0.271 58.447 58.200 -0.039 0.000 0.925 79 S CB 1.848 65.079 63.200 0.053 0.000 1.067 79 S HN 1.599 nan 8.310 nan 0.000 0.479 80 T N 0.554 114.498 114.554 -1.016 0.000 2.949 80 T HA 0.615 4.965 4.350 -0.001 0.000 0.287 80 T C 0.970 175.436 174.700 -0.391 0.000 1.034 80 T CA 0.106 61.741 62.100 -0.776 0.000 1.018 80 T CB 1.288 69.510 68.868 -1.077 0.000 1.135 80 T HN 0.813 nan 8.240 nan 0.000 0.532 81 T N -0.927 113.486 114.554 -0.236 0.000 3.040 81 T HA 0.250 4.599 4.350 -0.001 0.000 0.266 81 T C 1.772 176.406 174.700 -0.109 0.000 1.005 81 T CA 0.102 62.112 62.100 -0.150 0.000 0.906 81 T CB 0.033 68.845 68.868 -0.094 0.000 1.082 81 T HN 0.337 nan 8.240 nan 0.000 0.531 82 S N 2.703 118.341 115.700 -0.104 0.000 2.343 82 S HA 0.147 4.617 4.470 -0.001 0.000 0.212 82 S C -1.409 173.171 174.600 -0.034 0.000 1.033 82 S CA 0.571 58.744 58.200 -0.044 0.000 1.004 82 S CB -0.899 62.295 63.200 -0.011 0.000 0.977 82 S HN 0.487 nan 8.310 nan 0.000 0.427 83 P HA 0.328 nan 4.420 nan 0.000 0.290 83 P C -1.210 176.040 177.300 -0.083 0.000 1.275 83 P CA -0.395 62.681 63.100 -0.039 0.000 0.841 83 P CB 1.097 32.793 31.700 -0.008 0.000 1.042 84 S N 2.078 117.714 115.700 -0.106 0.000 2.506 84 S HA 0.130 4.599 4.470 -0.001 0.000 0.291 84 S C -0.129 174.401 174.600 -0.117 0.000 1.230 84 S CA -0.261 57.835 58.200 -0.173 0.000 1.107 84 S CB -0.444 62.616 63.200 -0.235 0.000 0.942 84 S HN 0.395 nan 8.310 nan 0.000 0.502 85 Q N 1.667 121.394 119.800 -0.121 0.000 2.544 85 Q HA 0.755 5.095 4.340 -0.001 0.000 0.291 85 Q C -1.215 174.862 176.000 0.128 0.000 1.068 85 Q CA -0.993 54.843 55.803 0.054 0.000 0.785 85 Q CB 2.320 31.136 28.738 0.130 0.000 1.481 85 Q HN 0.747 nan 8.270 nan 0.000 0.430 86 L N 0.893 122.309 121.223 0.321 0.000 2.376 86 L HA 0.665 5.004 4.340 -0.001 0.000 0.258 86 L C -2.064 175.010 176.870 0.339 0.000 1.013 86 L CA -1.031 54.006 54.840 0.329 0.000 0.822 86 L CB 2.192 44.365 42.059 0.189 0.000 1.388 86 L HN 0.541 nan 8.230 nan 0.000 0.413 87 L N 3.411 124.819 121.223 0.309 0.000 2.457 87 L HA 0.802 5.141 4.340 -0.001 0.000 0.266 87 L C -0.716 176.211 176.870 0.095 0.000 0.979 87 L CA -0.080 54.863 54.840 0.171 0.000 0.857 87 L CB 1.195 43.298 42.059 0.073 0.000 1.213 87 L HN 0.673 nan 8.230 nan 0.000 0.418 88 A N 3.529 126.403 122.820 0.089 0.000 2.294 88 A HA 0.889 5.208 4.320 -0.001 0.000 0.330 88 A C -0.864 176.793 177.584 0.123 0.000 1.133 88 A CA -0.388 51.698 52.037 0.081 0.000 0.836 88 A CB 1.178 20.213 19.000 0.058 0.000 1.190 88 A HN 0.753 nan 8.150 nan 0.000 0.492 89 c N -0.090 118.560 118.600 0.083 0.000 2.782 89 c HA 0.649 5.218 4.570 -0.001 0.000 0.328 89 c C 0.564 174.691 174.090 0.060 0.000 1.145 89 c CA -0.588 55.765 56.329 0.040 0.000 1.358 89 c CB 1.386 43.872 42.510 -0.039 0.000 1.841 89 c HN 1.166 nan 8.230 nan 0.000 0.477 90 G N 2.777 111.626 108.800 0.081 0.000 2.457 90 G HA2 0.495 4.455 3.960 -0.001 0.000 0.316 90 G HA3 0.495 4.455 3.960 -0.001 0.000 0.316 90 G C -2.325 172.583 174.900 0.014 0.000 1.030 90 G CA -0.850 44.287 45.100 0.062 0.000 1.073 90 G HN 0.559 nan 8.290 nan 0.000 0.430 91 P HA 0.141 nan 4.420 nan 0.000 0.255 91 P C 0.558 177.892 177.300 0.057 0.000 1.427 91 P CA 0.374 63.502 63.100 0.048 0.000 0.863 91 P CB 0.455 32.207 31.700 0.086 0.000 1.444 92 T N -4.586 109.987 114.554 0.033 0.000 3.884 92 T HA 0.205 4.555 4.350 -0.001 0.000 0.284 92 T C 0.018 174.686 174.700 -0.052 0.000 0.961 92 T CA -0.359 61.740 62.100 -0.002 0.000 1.071 92 T CB -0.863 68.063 68.868 0.097 0.000 1.121 92 T HN -0.299 nan 8.240 nan 0.000 0.496 93 V N 2.296 122.183 119.914 -0.045 0.000 2.740 93 V HA 0.255 4.374 4.120 -0.001 0.000 0.303 93 V C 0.020 176.055 176.094 -0.098 0.000 1.054 93 V CA 0.008 62.318 62.300 0.017 0.000 1.106 93 V CB -0.154 31.682 31.823 0.022 0.000 0.957 93 V HN 0.657 nan 8.190 nan 0.000 0.486 94 H N 2.682 121.807 119.070 0.090 0.000 2.587 94 H HA 0.553 5.109 4.556 -0.001 0.000 0.325 94 H C -0.281 175.107 175.328 0.099 0.000 1.012 94 H CA -0.541 55.546 56.048 0.064 0.000 1.213 94 H CB 0.732 30.504 29.762 0.016 0.000 1.431 94 H HN 0.921 nan 8.280 nan 0.000 0.492 95 H N 0.158 119.294 119.070 0.110 0.000 2.539 95 H HA 0.304 4.860 4.556 -0.001 0.000 0.332 95 H C -0.643 174.733 175.328 0.081 0.000 1.031 95 H CA -1.166 54.932 56.048 0.083 0.000 1.206 95 H CB 0.921 30.719 29.762 0.060 0.000 1.446 95 H HN 0.621 nan 8.280 nan 0.000 0.496 96 E N 2.860 123.083 120.200 0.039 0.000 2.166 96 E HA 0.161 4.511 4.350 -0.001 0.000 0.279 96 E C -0.487 176.131 176.600 0.030 0.000 1.095 96 E CA -0.637 55.752 56.400 -0.019 0.000 0.888 96 E CB 0.583 30.284 29.700 0.001 0.000 1.041 96 E HN 0.645 nan 8.360 nan 0.000 0.414 97 c N 3.987 122.589 118.600 0.003 0.000 2.589 97 c HA 0.412 4.981 4.570 -0.001 0.000 0.307 97 c C 1.386 175.500 174.090 0.040 0.000 1.328 97 c CA 0.232 56.611 56.329 0.083 0.000 1.742 97 c CB -1.401 41.223 42.510 0.191 0.000 2.037 97 c HN 1.107 nan 8.230 nan 0.000 0.592 98 G N 2.779 111.581 108.800 0.003 0.000 3.226 98 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.270 98 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.270 98 G C 1.216 176.102 174.900 -0.023 0.000 1.592 98 G CA 0.411 45.510 45.100 -0.002 0.000 1.055 98 G HN 0.436 nan 8.290 nan 0.000 0.582 99 R N 1.783 122.276 120.500 -0.012 0.000 2.113 99 R HA -0.102 4.237 4.340 -0.001 0.000 0.244 99 R C 0.673 176.936 176.300 -0.062 0.000 1.142 99 R CA 2.191 58.279 56.100 -0.020 0.000 0.953 99 R CB -0.740 29.563 30.300 0.005 0.000 0.860 99 R HN 1.114 nan 8.270 nan 0.000 0.438 100 N N 0.325 118.950 118.700 -0.125 0.000 2.431 100 N HA 0.198 4.938 4.740 -0.001 0.000 0.275 100 N C -0.673 174.511 175.510 -0.544 0.000 1.091 100 N CA -1.013 51.874 53.050 -0.271 0.000 0.922 100 N CB 1.123 39.453 38.487 -0.262 0.000 1.666 100 N HN 0.283 nan 8.380 nan 0.000 0.484 101 M N -0.292 119.018 119.600 -0.483 0.000 2.267 101 M HA 0.643 5.122 4.480 -0.001 0.000 0.303 101 M C -1.009 174.817 176.300 -0.791 0.000 1.164 101 M CA -0.119 54.859 55.300 -0.537 0.000 1.060 101 M CB 0.749 33.216 32.600 -0.222 0.000 1.455 101 M HN 0.516 nan 8.290 nan 0.000 0.483 102 Y N -0.602 119.489 120.300 -0.349 0.000 2.965 102 Y HA 0.759 5.309 4.550 -0.001 0.000 0.310 102 Y C -1.032 174.751 175.900 -0.194 0.000 1.480 102 Y CA -1.094 56.883 58.100 -0.205 0.000 1.094 102 Y CB 1.420 39.818 38.460 -0.105 0.000 1.377 102 Y HN 0.542 nan 8.280 nan 0.000 0.514 103 L N 0.219 121.502 121.223 0.101 0.000 2.406 103 L HA 0.451 4.791 4.340 -0.001 0.000 0.272 103 L C 0.243 177.126 176.870 0.023 0.000 0.980 103 L CA -0.221 54.602 54.840 -0.028 0.000 0.831 103 L CB 2.123 44.125 42.059 -0.095 0.000 1.253 103 L HN 0.830 nan 8.230 nan 0.000 0.406 104 T N 0.910 115.477 114.554 0.021 0.000 3.056 104 T HA 0.441 4.791 4.350 -0.001 0.000 0.243 104 T C 0.621 175.265 174.700 -0.094 0.000 0.995 104 T CA 0.603 62.670 62.100 -0.055 0.000 1.091 104 T CB 0.236 69.040 68.868 -0.107 0.000 0.990 104 T HN 0.980 nan 8.240 nan 0.000 0.464 105 G N 1.128 109.884 108.800 -0.074 0.000 2.785 105 G HA2 0.166 4.125 3.960 -0.001 0.000 0.686 105 G HA3 0.166 4.125 3.960 -0.001 0.000 0.686 105 G C -1.285 173.529 174.900 -0.143 0.000 1.155 105 G CA -0.293 44.758 45.100 -0.082 0.000 0.760 105 G HN 0.956 nan 8.290 nan 0.000 0.624 106 L N 2.211 123.330 121.223 -0.173 0.000 2.505 106 L HA 0.815 5.154 4.340 -0.001 0.000 0.266 106 L C -0.084 176.493 176.870 -0.488 0.000 0.954 106 L CA -0.648 53.998 54.840 -0.324 0.000 0.852 106 L CB 1.711 43.589 42.059 -0.302 0.000 1.282 106 L HN 1.019 nan 8.230 nan 0.000 0.403 107 c N 3.180 121.412 118.600 -0.613 0.000 2.630 107 c HA 0.783 5.353 4.570 -0.001 0.000 0.346 107 c C -0.916 172.644 174.090 -0.884 0.000 1.245 107 c CA -0.637 55.344 56.329 -0.580 0.000 1.804 107 c CB 1.638 43.970 42.510 -0.298 0.000 2.279 107 c HN 0.691 nan 8.230 nan 0.000 0.498 108 F N 1.133 121.022 119.950 -0.102 0.000 2.557 108 F HA 0.581 5.108 4.527 -0.001 0.000 0.316 108 F C -0.307 175.452 175.800 -0.069 0.000 1.141 108 F CA -0.601 57.345 58.000 -0.091 0.000 0.922 108 F CB 0.756 39.706 39.000 -0.084 0.000 1.194 108 F HN 0.124 nan 8.300 nan 0.000 0.443 109 L N 4.837 126.115 121.223 0.091 0.000 2.265 109 L HA 0.505 4.845 4.340 -0.001 0.000 0.289 109 L C -0.655 176.267 176.870 0.087 0.000 1.033 109 L CA -0.536 54.356 54.840 0.086 0.000 0.814 109 L CB 1.013 43.100 42.059 0.046 0.000 1.203 109 L HN 0.549 nan 8.230 nan 0.000 0.423 110 L N 2.546 123.821 121.223 0.088 0.000 2.693 110 L HA 0.953 5.292 4.340 -0.001 0.000 0.253 110 L C 0.646 177.578 176.870 0.104 0.000 1.155 110 L CA -0.322 54.546 54.840 0.048 0.000 1.026 110 L CB 1.051 43.083 42.059 -0.044 0.000 1.817 110 L HN 0.665 nan 8.230 nan 0.000 0.556 111 G N -1.495 107.371 108.800 0.109 0.000 2.343 111 G HA2 0.083 4.043 3.960 -0.001 0.000 0.465 111 G HA3 0.083 4.043 3.960 -0.001 0.000 0.465 111 G C -2.761 172.189 174.900 0.083 0.000 1.282 111 G CA -0.803 44.397 45.100 0.166 0.000 0.996 111 G HN 0.344 nan 8.290 nan 0.000 0.521 112 P HA 0.246 nan 4.420 nan 0.000 0.237 112 P C 0.520 177.834 177.300 0.024 0.000 1.723 112 P CA 1.194 64.312 63.100 0.030 0.000 0.882 112 P CB -0.213 31.498 31.700 0.019 0.000 1.810 113 T N -4.114 110.456 114.554 0.026 0.000 2.606 113 T HA 0.296 4.646 4.350 -0.001 0.000 0.232 113 T C -0.657 174.053 174.700 0.016 0.000 0.853 113 T CA -0.682 61.432 62.100 0.022 0.000 1.301 113 T CB 0.718 69.603 68.868 0.029 0.000 1.633 113 T HN -0.068 nan 8.240 nan 0.000 0.448 114 Q N 0.738 120.548 119.800 0.017 0.000 2.243 114 Q HA 0.548 4.888 4.340 -0.001 0.000 0.252 114 Q C -0.694 175.315 176.000 0.014 0.000 0.909 114 Q CA -0.495 55.315 55.803 0.011 0.000 0.922 114 Q CB 1.515 30.258 28.738 0.009 0.000 1.215 114 Q HN 0.410 nan 8.270 nan 0.000 0.427 115 L N 3.384 124.612 121.223 0.008 0.000 2.505 115 L HA 0.095 4.434 4.340 -0.001 0.000 0.279 115 L C -0.010 176.875 176.870 0.025 0.000 1.211 115 L CA -0.094 54.754 54.840 0.014 0.000 1.059 115 L CB -0.482 41.575 42.059 -0.003 0.000 1.340 115 L HN 0.644 nan 8.230 nan 0.000 0.447 116 T N 2.092 116.660 114.554 0.024 0.000 2.868 116 T HA 0.313 4.662 4.350 -0.001 0.000 0.292 116 T C -0.037 174.666 174.700 0.005 0.000 1.028 116 T CA -0.406 61.695 62.100 0.001 0.000 1.059 116 T CB 1.014 69.870 68.868 -0.021 0.000 0.991 116 T HN 0.460 nan 8.240 nan 0.000 0.531 117 Q N 0.925 120.694 119.800 -0.051 0.000 2.285 117 Q HA 0.483 4.822 4.340 -0.001 0.000 0.269 117 Q C -0.696 175.167 176.000 -0.227 0.000 1.030 117 Q CA -0.610 55.111 55.803 -0.136 0.000 0.788 117 Q CB 2.431 31.112 28.738 -0.094 0.000 1.266 117 Q HN 0.355 nan 8.270 nan 0.000 0.438 118 R N 2.878 123.175 120.500 -0.337 0.000 2.718 118 R HA 0.185 4.524 4.340 -0.001 0.000 0.266 118 R C -0.364 175.594 176.300 -0.571 0.000 1.776 118 R CA -0.002 55.843 56.100 -0.424 0.000 1.567 118 R CB 0.709 30.733 30.300 -0.459 0.000 1.336 118 R HN 0.696 nan 8.270 nan 0.000 0.619 119 L N 1.763 122.743 121.223 -0.405 0.000 2.477 119 L HA 0.272 4.612 4.340 -0.001 0.000 0.220 119 L C -1.745 175.039 176.870 -0.142 0.000 1.106 119 L CA 0.372 55.029 54.840 -0.305 0.000 0.851 119 L CB 0.478 42.383 42.059 -0.258 0.000 0.994 119 L HN 0.212 nan 8.230 nan 0.000 0.462 120 P HA 0.254 nan 4.420 nan 0.000 0.247 120 P C 0.307 177.511 177.300 -0.159 0.000 1.683 120 P CA -0.044 62.931 63.100 -0.208 0.000 1.143 120 P CB 1.441 33.036 31.700 -0.176 0.000 1.577 121 V N 1.328 121.133 119.914 -0.182 0.000 2.471 121 V HA -0.282 3.838 4.120 -0.001 0.000 0.132 121 V C 1.023 177.051 176.094 -0.111 0.000 0.451 121 V CA 1.972 64.185 62.300 -0.145 0.000 1.274 121 V CB -2.700 29.050 31.823 -0.122 0.000 1.494 121 V HN 0.788 nan 8.190 nan 0.000 1.012 122 S N 2.222 117.852 115.700 -0.115 0.000 3.024 122 S HA 0.294 4.763 4.470 -0.001 0.000 0.316 122 S C 0.655 175.178 174.600 -0.129 0.000 1.197 122 S CA -0.190 57.947 58.200 -0.105 0.000 1.097 122 S CB -0.072 63.068 63.200 -0.101 0.000 1.471 122 S HN 0.852 nan 8.310 nan 0.000 0.543 123 R N 2.666 123.098 120.500 -0.113 0.000 2.501 123 R HA -0.055 4.284 4.340 -0.001 0.000 0.319 123 R C -0.483 175.716 176.300 -0.169 0.000 0.913 123 R CA 0.188 56.212 56.100 -0.128 0.000 1.104 123 R CB -0.199 30.051 30.300 -0.083 0.000 0.901 123 R HN 0.618 nan 8.270 nan 0.000 0.407 124 Q N 3.306 122.957 119.800 -0.248 0.000 2.388 124 Q HA -0.022 4.318 4.340 -0.001 0.000 0.246 124 Q C -0.375 175.409 176.000 -0.359 0.000 1.246 124 Q CA 0.483 56.102 55.803 -0.308 0.000 0.895 124 Q CB 0.405 28.922 28.738 -0.369 0.000 1.510 124 Q HN 0.579 nan 8.270 nan 0.000 0.503 125 E N 0.830 120.911 120.200 -0.198 0.000 2.422 125 E HA -0.021 4.328 4.350 -0.001 0.000 0.260 125 E C 0.000 176.562 176.600 -0.063 0.000 1.108 125 E CA -0.420 55.914 56.400 -0.109 0.000 0.943 125 E CB 0.634 30.298 29.700 -0.059 0.000 0.961 125 E HN 0.557 nan 8.360 nan 0.000 0.443 126 c N 2.295 120.932 118.600 0.063 0.000 2.767 126 c HA 0.160 4.729 4.570 -0.001 0.000 0.353 126 c C -1.298 172.824 174.090 0.053 0.000 1.376 126 c CA -1.094 55.326 56.329 0.151 0.000 2.284 126 c CB -1.356 41.268 42.510 0.190 0.000 2.535 126 c HN 0.680 nan 8.230 nan 0.000 0.745 329 E N -0.211 120.082 120.200 0.156 0.000 3.730 329 E HA 0.430 4.779 4.350 -0.001 0.000 0.233 329 E C -0.731 175.763 176.600 -0.176 0.000 1.281 329 E CA 0.162 56.622 56.400 0.099 0.000 1.519 329 E CB 1.012 30.743 29.700 0.052 0.000 2.292 329 E HN 0.406 nan 8.360 nan 0.000 0.655 330 L N 2.081 123.192 121.223 -0.186 0.000 2.559 330 L HA 0.253 4.592 4.340 -0.001 0.000 0.276 330 L C 0.061 176.788 176.870 -0.238 0.000 1.457 330 L CA 0.071 54.748 54.840 -0.271 0.000 0.708 330 L CB 1.061 42.971 42.059 -0.249 0.000 0.987 330 L HN 0.003 nan 8.230 nan 0.000 0.518 331 E N 0.563 120.611 120.200 -0.254 0.000 2.206 331 E HA 0.215 4.565 4.350 -0.001 0.000 0.195 331 E C 0.691 177.217 176.600 -0.122 0.000 0.935 331 E CA 0.916 57.153 56.400 -0.272 0.000 0.875 331 E CB 0.371 29.648 29.700 -0.705 0.000 0.841 331 E HN 0.352 nan 8.360 nan 0.000 0.477 332 M N 0.086 119.530 119.600 -0.259 0.000 3.074 332 M HA 0.486 4.966 4.480 -0.001 0.000 0.252 332 M C 0.234 176.281 176.300 -0.422 0.000 1.181 332 M CA -0.246 54.914 55.300 -0.232 0.000 0.771 332 M CB 1.351 33.849 32.600 -0.169 0.000 1.375 332 M HN 0.044 nan 8.290 nan 0.000 0.512 333 A N -0.114 122.522 122.820 -0.306 0.000 2.267 333 A HA 0.095 4.415 4.320 -0.001 0.000 0.213 333 A C 1.139 178.655 177.584 -0.112 0.000 1.192 333 A CA 0.124 52.001 52.037 -0.268 0.000 0.851 333 A CB 0.048 18.905 19.000 -0.238 0.000 0.881 333 A HN 0.733 nan 8.150 nan 0.000 0.494 334 Q N 0.492 120.246 119.800 -0.077 0.000 2.395 334 Q HA -0.232 4.107 4.340 -0.001 0.000 0.326 334 Q C 0.021 176.039 176.000 0.029 0.000 1.302 334 Q CA 0.880 56.678 55.803 -0.008 0.000 0.949 334 Q CB -1.445 27.319 28.738 0.044 0.000 1.204 334 Q HN 0.864 nan 8.270 nan 0.000 0.444 335 E N -0.519 119.673 120.200 -0.014 0.000 2.534 335 E HA 0.060 4.409 4.350 -0.001 0.000 0.264 335 E C 1.266 177.883 176.600 0.028 0.000 0.981 335 E CA 1.122 57.538 56.400 0.027 0.000 0.948 335 E CB 0.098 29.764 29.700 -0.057 0.000 0.934 335 E HN 0.498 nan 8.360 nan 0.000 0.459 336 G N 3.649 112.490 108.800 0.068 0.000 2.157 336 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.239 336 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.239 336 G C 0.355 175.273 174.900 0.030 0.000 0.982 336 G CA 0.218 45.330 45.100 0.021 0.000 0.650 336 G HN 0.653 nan 8.290 nan 0.000 0.527 337 F N 2.522 122.433 119.950 -0.065 0.000 2.202 337 F HA 0.187 4.713 4.527 -0.001 0.000 0.301 337 F C 1.391 177.111 175.800 -0.133 0.000 1.082 337 F CA 2.203 60.135 58.000 -0.113 0.000 1.313 337 F CB 0.180 39.096 39.000 -0.140 0.000 1.024 337 F HN 0.714 nan 8.300 nan 0.000 0.495 338 S N -0.503 115.193 115.700 -0.006 0.000 2.603 338 S HA 0.787 5.256 4.470 -0.001 0.000 0.274 338 S C -0.889 173.709 174.600 -0.003 0.000 1.168 338 S CA -0.391 57.768 58.200 -0.069 0.000 0.963 338 S CB 1.138 64.333 63.200 -0.009 0.000 1.078 338 S HN 0.491 nan 8.310 nan 0.000 0.477 339 A N 1.739 124.543 122.820 -0.026 0.000 2.454 339 A HA 0.986 5.306 4.320 -0.001 0.000 0.302 339 A C -0.921 176.662 177.584 -0.002 0.000 1.079 339 A CA -1.014 51.005 52.037 -0.029 0.000 0.731 339 A CB 1.990 20.941 19.000 -0.081 0.000 1.299 339 A HN 1.935 nan 8.150 nan 0.000 0.413 340 V N 1.987 121.892 119.914 -0.015 0.000 2.924 340 V HA 0.623 4.743 4.120 -0.001 0.000 0.300 340 V C -1.218 174.915 176.094 0.066 0.000 1.227 340 V CA -0.762 61.592 62.300 0.091 0.000 0.954 340 V CB 1.478 33.357 31.823 0.094 0.000 1.055 340 V HN 0.877 nan 8.190 nan 0.000 0.429 341 F N 3.171 123.147 119.950 0.043 0.000 2.239 341 F HA 0.772 5.298 4.527 -0.001 0.000 0.288 341 F C 0.906 176.733 175.800 0.046 0.000 1.225 341 F CA 0.910 58.939 58.000 0.049 0.000 1.162 341 F CB 1.150 40.177 39.000 0.046 0.000 1.484 341 F HN 0.658 nan 8.300 nan 0.000 0.512 342 T N -0.984 113.735 114.554 0.274 0.000 3.094 342 T HA 0.171 4.521 4.350 -0.001 0.000 0.373 342 T C -2.451 172.337 174.700 0.148 0.000 1.806 342 T CA -1.070 61.128 62.100 0.163 0.000 1.107 342 T CB 0.942 69.875 68.868 0.108 0.000 1.632 342 T HN 0.131 nan 8.240 nan 0.000 0.488 343 P HA -0.083 nan 4.420 nan 0.000 0.218 343 P C 0.093 177.451 177.300 0.097 0.000 1.150 343 P CA 1.566 64.723 63.100 0.095 0.000 0.841 343 P CB -0.120 31.626 31.700 0.075 0.000 0.784 344 D N -1.461 118.998 120.400 0.099 0.000 3.133 344 D HA 0.452 5.092 4.640 -0.001 0.000 0.288 344 D C 0.539 176.904 176.300 0.109 0.000 1.346 344 D CA -0.645 53.415 54.000 0.099 0.000 0.934 344 D CB -0.617 40.241 40.800 0.097 0.000 1.042 344 D HN 0.149 nan 8.370 nan 0.000 0.506 345 G N 0.842 109.715 108.800 0.121 0.000 2.716 345 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 345 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 345 G C -2.777 172.184 174.900 0.103 0.000 1.337 345 G CA -1.117 44.057 45.100 0.124 0.000 0.829 345 G HN 0.270 nan 8.290 nan 0.000 0.599 346 P HA 0.448 nan 4.420 nan 0.000 0.273 346 P C -0.117 177.195 177.300 0.019 0.000 1.258 346 P CA -0.359 62.663 63.100 -0.132 0.000 0.802 346 P CB 0.652 32.152 31.700 -0.333 0.000 1.040 347 V N 0.724 120.617 119.914 -0.035 0.000 2.610 347 V HA 0.183 4.303 4.120 -0.001 0.000 0.288 347 V C -0.560 175.560 176.094 0.044 0.000 1.055 347 V CA -0.376 61.950 62.300 0.044 0.000 0.902 347 V CB 1.320 33.150 31.823 0.011 0.000 1.030 347 V HN 0.270 nan 8.190 nan 0.000 0.448 348 L N 3.322 124.632 121.223 0.144 0.000 2.352 348 L HA 0.911 5.250 4.340 -0.001 0.000 0.269 348 L C 0.856 177.825 176.870 0.164 0.000 1.034 348 L CA 0.137 55.054 54.840 0.129 0.000 0.806 348 L CB 1.529 43.679 42.059 0.152 0.000 1.244 348 L HN 0.688 nan 8.230 nan 0.000 0.447 349 G N 0.306 109.192 108.800 0.144 0.000 2.417 349 G HA2 0.696 4.655 3.960 -0.001 0.000 0.320 349 G HA3 0.696 4.655 3.960 -0.001 0.000 0.320 349 G C -1.099 173.913 174.900 0.187 0.000 1.204 349 G CA -0.350 44.842 45.100 0.153 0.000 0.923 349 G HN 0.793 nan 8.290 nan 0.000 0.466 350 A N 1.361 124.310 122.820 0.214 0.000 2.303 350 A HA 0.698 5.017 4.320 -0.001 0.000 0.317 350 A C 1.138 178.770 177.584 0.079 0.000 1.149 350 A CA -0.032 52.103 52.037 0.164 0.000 0.822 350 A CB 1.576 20.743 19.000 0.279 0.000 1.131 350 A HN 1.552 nan 8.150 nan 0.000 0.493 351 V N -0.814 119.111 119.914 0.018 0.000 3.090 351 V HA 0.348 4.468 4.120 -0.001 0.000 0.237 351 V C 1.360 177.476 176.094 0.037 0.000 1.209 351 V CA 1.109 63.468 62.300 0.098 0.000 1.209 351 V CB -0.657 31.256 31.823 0.151 0.000 0.971 351 V HN 1.006 nan 8.190 nan 0.000 0.477 352 G N 1.270 109.892 108.800 -0.298 0.000 3.496 352 G HA2 0.231 4.191 3.960 -0.001 0.000 0.273 352 G HA3 0.231 4.191 3.960 -0.001 0.000 0.273 352 G C 0.280 174.691 174.900 -0.814 0.000 1.279 352 G CA 0.199 44.705 45.100 -0.990 0.000 1.041 352 G HN 0.404 nan 8.290 nan 0.000 0.539 353 S N 1.276 116.635 115.700 -0.567 0.000 2.429 353 S HA 0.416 4.886 4.470 -0.001 0.000 0.292 353 S C 0.479 174.525 174.600 -0.923 0.000 1.183 353 S CA -0.393 57.216 58.200 -0.984 0.000 1.088 353 S CB -0.182 62.444 63.200 -0.956 0.000 1.018 353 S HN 0.457 nan 8.310 nan 0.000 0.511 354 F N 0.070 119.953 119.950 -0.112 0.000 2.223 354 F HA -0.322 4.204 4.527 -0.001 0.000 0.395 354 F C 1.756 177.567 175.800 0.018 0.000 0.497 354 F CA 1.168 59.156 58.000 -0.019 0.000 0.897 354 F CB -2.089 36.915 39.000 0.008 0.000 3.931 354 F HN 0.484 nan 8.300 nan 0.000 0.160 355 T N -2.982 111.761 114.554 0.314 0.000 3.535 355 T HA 0.308 4.658 4.350 -0.001 0.000 0.238 355 T C -0.169 174.710 174.700 0.299 0.000 0.909 355 T CA 0.459 62.723 62.100 0.274 0.000 0.928 355 T CB -1.504 67.491 68.868 0.212 0.000 1.134 355 T HN 0.586 nan 8.240 nan 0.000 0.627 356 W N 0.105 121.389 121.300 -0.027 0.000 5.271 356 W HA -0.304 4.355 4.660 -0.001 0.000 0.364 356 W C 1.841 178.304 176.519 -0.094 0.000 1.342 356 W CA 0.550 57.826 57.345 -0.116 0.000 0.899 356 W CB -2.407 26.930 29.460 -0.205 0.000 2.450 356 W HN 0.544 nan 8.180 nan 0.000 1.508 357 S N -0.168 115.619 115.700 0.145 0.000 2.344 357 S HA 0.266 4.735 4.470 -0.001 0.000 0.217 357 S C 1.455 176.119 174.600 0.106 0.000 1.033 357 S CA 2.678 60.968 58.200 0.150 0.000 1.017 357 S CB -0.385 62.973 63.200 0.263 0.000 0.941 357 S HN 1.364 nan 8.310 nan 0.000 0.430 358 G N -1.784 107.050 108.800 0.057 0.000 2.353 358 G HA2 0.457 4.417 3.960 -0.001 0.000 0.615 358 G HA3 0.457 4.417 3.960 -0.001 0.000 0.615 358 G C -0.038 174.863 174.900 0.003 0.000 1.280 358 G CA -0.470 44.652 45.100 0.037 0.000 1.000 358 G HN 1.583 nan 8.290 nan 0.000 0.516 359 G N -1.741 107.024 108.800 -0.058 0.000 2.360 359 G HA2 0.811 4.770 3.960 -0.001 0.000 0.276 359 G HA3 0.811 4.770 3.960 -0.001 0.000 0.276 359 G C -0.781 173.953 174.900 -0.276 0.000 1.256 359 G CA 1.170 46.053 45.100 -0.362 0.000 0.890 359 G HN 2.726 nan 8.290 nan 0.000 0.486 360 A N -0.967 121.514 122.820 -0.567 0.000 2.512 360 A HA 0.675 4.995 4.320 -0.001 0.000 0.294 360 A C -1.545 175.874 177.584 -0.275 0.000 1.054 360 A CA -0.564 51.337 52.037 -0.227 0.000 0.756 360 A CB 0.644 19.531 19.000 -0.189 0.000 1.293 360 A HN 1.075 nan 8.150 nan 0.000 0.395 361 F N 2.251 122.227 119.950 0.044 0.000 2.421 361 F HA 0.418 4.945 4.527 -0.001 0.000 0.358 361 F C 0.507 176.117 175.800 -0.317 0.000 1.115 361 F CA -0.033 57.916 58.000 -0.085 0.000 1.160 361 F CB 1.201 40.100 39.000 -0.167 0.000 1.123 361 F HN 0.579 nan 8.300 nan 0.000 0.508 362 L N 5.298 126.393 121.223 -0.214 0.000 2.305 362 L HA 0.385 4.724 4.340 -0.001 0.000 0.281 362 L C -1.305 175.346 176.870 -0.364 0.000 1.085 362 L CA -0.540 54.191 54.840 -0.183 0.000 0.813 362 L CB 0.492 42.495 42.059 -0.093 0.000 1.157 362 L HN 0.475 nan 8.230 nan 0.000 0.436 363 Y N 5.584 125.901 120.300 0.029 0.000 2.334 363 Y HA 0.455 5.005 4.550 -0.001 0.000 0.336 363 Y C -2.128 173.784 175.900 0.019 0.000 0.960 363 Y CA -2.268 55.842 58.100 0.015 0.000 1.164 363 Y CB 0.907 39.359 38.460 -0.014 0.000 1.155 363 Y HN 0.545 nan 8.280 nan 0.000 0.478 364 P HA 0.121 nan 4.420 nan 0.000 0.307 364 P C -2.418 174.944 177.300 0.104 0.000 1.306 364 P CA -1.417 61.746 63.100 0.105 0.000 0.742 364 P CB 0.033 31.777 31.700 0.073 0.000 1.349 365 P HA 0.030 nan 4.420 nan 0.000 0.244 365 P C -0.042 177.291 177.300 0.055 0.000 1.769 365 P CA 0.367 63.507 63.100 0.067 0.000 1.102 365 P CB -0.816 30.920 31.700 0.060 0.000 1.937 366 N N -0.045 118.689 118.700 0.056 0.000 2.961 366 N HA -0.167 4.572 4.740 -0.001 0.000 0.223 366 N C 0.174 175.709 175.510 0.042 0.000 0.866 366 N CA 0.862 53.937 53.050 0.042 0.000 1.030 366 N CB -1.179 37.326 38.487 0.029 0.000 1.037 366 N HN 0.445 nan 8.380 nan 0.000 0.608 367 M N 1.844 121.473 119.600 0.047 0.000 2.243 367 M HA 0.140 4.620 4.480 -0.001 0.000 0.341 367 M C 0.617 176.942 176.300 0.041 0.000 1.130 367 M CA -0.038 55.285 55.300 0.037 0.000 1.162 367 M CB 0.708 33.329 32.600 0.035 0.000 1.497 367 M HN 0.273 nan 8.290 nan 0.000 0.456 368 S N 5.126 120.839 115.700 0.021 0.000 2.552 368 S HA 0.281 4.751 4.470 -0.001 0.000 0.289 368 S C -2.380 172.216 174.600 -0.006 0.000 1.304 368 S CA -1.109 57.100 58.200 0.014 0.000 1.063 368 S CB -0.426 62.770 63.200 -0.008 0.000 0.848 368 S HN 0.609 nan 8.310 nan 0.000 0.499 369 P HA 0.248 nan 4.420 nan 0.000 0.274 369 P C 0.326 177.547 177.300 -0.132 0.000 1.237 369 P CA -0.361 62.667 63.100 -0.120 0.000 0.793 369 P CB 0.692 32.196 31.700 -0.326 0.000 0.977 370 T N -1.788 112.654 114.554 -0.187 0.000 2.864 370 T HA 0.750 5.100 4.350 -0.001 0.000 0.276 370 T C -0.990 173.609 174.700 -0.168 0.000 1.006 370 T CA -0.585 61.383 62.100 -0.218 0.000 0.970 370 T CB 1.012 69.645 68.868 -0.391 0.000 1.420 370 T HN 0.395 nan 8.240 nan 0.000 0.601 371 F N 0.131 119.802 119.950 -0.465 0.000 2.672 371 F HA 0.569 5.096 4.527 -0.001 0.000 0.311 371 F C -2.092 173.403 175.800 -0.508 0.000 1.113 371 F CA -1.429 56.193 58.000 -0.630 0.000 0.996 371 F CB 1.429 39.892 39.000 -0.895 0.000 1.286 371 F HN 0.799 nan 8.300 nan 0.000 0.441 372 I N 3.733 123.454 120.570 -1.414 0.000 2.493 372 I HA 0.515 4.684 4.170 -0.001 0.000 0.279 372 I C -1.007 174.326 176.117 -1.306 0.000 1.045 372 I CA -0.610 60.040 61.300 -1.083 0.000 1.106 372 I CB 1.121 38.633 38.000 -0.813 0.000 1.216 372 I HN 0.605 nan 8.210 nan 0.000 0.459 373 N N 5.945 124.139 118.700 -0.843 0.000 2.645 373 N HA 0.450 5.189 4.740 -0.001 0.000 0.308 373 N C 0.178 175.548 175.510 -0.233 0.000 1.335 373 N CA -0.554 52.280 53.050 -0.360 0.000 0.909 373 N CB 0.366 39.010 38.487 0.263 0.000 1.109 373 N HN 0.513 nan 8.380 nan 0.000 0.555 374 M N 0.039 119.626 119.600 -0.021 0.000 2.685 374 M HA 0.226 4.705 4.480 -0.001 0.000 0.355 374 M C -0.281 176.033 176.300 0.024 0.000 1.197 374 M CA -0.015 55.311 55.300 0.044 0.000 0.947 374 M CB -1.418 31.253 32.600 0.118 0.000 1.346 374 M HN 0.927 nan 8.290 nan 0.000 0.516 375 S N 0.136 115.823 115.700 -0.022 0.000 3.538 375 S HA -0.283 4.186 4.470 -0.001 0.000 0.640 375 S C 0.459 175.016 174.600 -0.072 0.000 2.388 375 S CA 1.094 59.260 58.200 -0.056 0.000 2.560 375 S CB -0.290 62.894 63.200 -0.028 0.000 0.328 375 S HN 0.648 nan 8.310 nan 0.000 1.791 376 Q N 0.045 119.787 119.800 -0.096 0.000 2.394 376 Q HA 0.136 4.475 4.340 -0.001 0.000 0.218 376 Q C 1.973 177.952 176.000 -0.034 0.000 0.907 376 Q CA 0.541 56.292 55.803 -0.087 0.000 0.919 376 Q CB -0.114 28.546 28.738 -0.129 0.000 1.051 376 Q HN 0.789 nan 8.270 nan 0.000 0.538 377 E N 0.918 121.103 120.200 -0.026 0.000 2.333 377 E HA -0.182 4.168 4.350 -0.001 0.000 0.200 377 E C 0.174 176.782 176.600 0.013 0.000 1.010 377 E CA 0.451 56.848 56.400 -0.005 0.000 0.841 377 E CB -0.123 29.577 29.700 -0.000 0.000 0.757 377 E HN 0.147 nan 8.360 nan 0.000 0.508 378 N N 0.620 119.331 118.700 0.020 0.000 2.605 378 N HA -0.036 4.704 4.740 -0.001 0.000 0.258 378 N C 0.949 176.487 175.510 0.047 0.000 1.156 378 N CA -0.102 52.974 53.050 0.044 0.000 1.008 378 N CB 0.798 39.323 38.487 0.062 0.000 1.354 378 N HN -0.042 nan 8.380 nan 0.000 0.509 379 V N 0.025 119.962 119.914 0.039 0.000 2.324 379 V HA -0.218 3.902 4.120 -0.001 0.000 0.250 379 V C 1.024 177.139 176.094 0.035 0.000 1.060 379 V CA 1.641 63.960 62.300 0.031 0.000 1.042 379 V CB -0.955 30.882 31.823 0.023 0.000 0.650 379 V HN 0.615 nan 8.190 nan 0.000 0.450 380 D N -0.323 120.107 120.400 0.050 0.000 2.289 380 D HA 0.161 4.800 4.640 -0.001 0.000 0.266 380 D C 0.980 177.314 176.300 0.057 0.000 1.243 380 D CA -0.028 53.986 54.000 0.023 0.000 1.019 380 D CB 0.075 40.902 40.800 0.045 0.000 1.126 380 D HN 0.352 nan 8.370 nan 0.000 0.541 381 M N -3.008 116.608 119.600 0.025 0.000 2.976 381 M HA -0.206 4.273 4.480 -0.001 0.000 0.209 381 M C -1.049 175.266 176.300 0.026 0.000 0.579 381 M CA 0.447 55.815 55.300 0.114 0.000 0.783 381 M CB -0.938 31.782 32.600 0.199 0.000 2.807 381 M HN 0.412 nan 8.290 nan 0.000 0.362 382 R N 1.947 122.420 120.500 -0.045 0.000 2.316 382 R HA 0.211 4.550 4.340 -0.001 0.000 0.314 382 R C -0.109 176.108 176.300 -0.138 0.000 1.069 382 R CA 0.207 56.286 56.100 -0.036 0.000 0.959 382 R CB 0.229 30.512 30.300 -0.027 0.000 0.987 382 R HN 0.330 nan 8.270 nan 0.000 0.446 383 D N 1.787 122.114 120.400 -0.122 0.000 2.990 383 D HA -0.119 4.520 4.640 -0.001 0.000 0.245 383 D C 0.151 176.191 176.300 -0.433 0.000 1.120 383 D CA 1.496 55.294 54.000 -0.336 0.000 0.838 383 D CB -0.921 39.647 40.800 -0.386 0.000 1.000 383 D HN 0.721 nan 8.370 nan 0.000 0.420 384 S N -0.790 114.715 115.700 -0.324 0.000 2.728 384 S HA 0.091 4.560 4.470 -0.001 0.000 0.257 384 S C 0.652 175.207 174.600 -0.074 0.000 1.060 384 S CA -0.291 57.789 58.200 -0.200 0.000 1.126 384 S CB 0.231 63.430 63.200 -0.001 0.000 1.099 384 S HN 0.277 nan 8.310 nan 0.000 0.617 385 Y N 0.687 121.023 120.300 0.059 0.000 3.589 385 Y HA -0.163 4.387 4.550 -0.001 0.000 0.218 385 Y C 0.244 176.202 175.900 0.096 0.000 1.234 385 Y CA -0.106 58.048 58.100 0.089 0.000 1.576 385 Y CB -2.524 35.994 38.460 0.096 0.000 1.487 385 Y HN 0.520 nan 8.280 nan 0.000 0.616 386 L N 1.247 122.578 121.223 0.180 0.000 2.745 386 L HA 0.369 4.709 4.340 -0.001 0.000 0.273 386 L C 1.204 178.159 176.870 0.142 0.000 1.156 386 L CA 1.671 56.600 54.840 0.148 0.000 0.982 386 L CB -0.054 42.077 42.059 0.119 0.000 1.295 386 L HN 0.660 nan 8.230 nan 0.000 0.483 387 G N 3.173 112.073 108.800 0.167 0.000 2.159 387 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.170 387 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.170 387 G C 0.490 175.533 174.900 0.239 0.000 1.007 387 G CA 0.217 45.411 45.100 0.156 0.000 0.672 387 G HN 0.734 nan 8.290 nan 0.000 0.507 388 Y N 2.249 122.649 120.300 0.165 0.000 2.165 388 Y HA 0.131 4.681 4.550 -0.001 0.000 0.286 388 Y C 1.688 177.812 175.900 0.373 0.000 1.155 388 Y CA 2.403 60.662 58.100 0.265 0.000 1.164 388 Y CB 0.158 38.732 38.460 0.189 0.000 0.978 388 Y HN 0.673 nan 8.280 nan 0.000 0.513 389 S N -0.602 115.331 115.700 0.388 0.000 2.526 389 S HA 0.671 5.141 4.470 -0.001 0.000 0.293 389 S C -0.566 174.112 174.600 0.130 0.000 1.092 389 S CA -0.203 58.130 58.200 0.222 0.000 0.980 389 S CB 2.162 65.495 63.200 0.222 0.000 1.048 389 S HN 0.327 nan 8.310 nan 0.000 0.483 390 T N -1.015 113.586 114.554 0.078 0.000 2.909 390 T HA 0.818 5.168 4.350 -0.001 0.000 0.299 390 T C -1.118 173.603 174.700 0.034 0.000 1.073 390 T CA -0.513 61.618 62.100 0.051 0.000 0.999 390 T CB 1.878 70.774 68.868 0.047 0.000 1.098 390 T HN 0.763 nan 8.240 nan 0.000 0.477 391 E N 0.880 121.092 120.200 0.021 0.000 2.392 391 E HA 0.623 4.972 4.350 -0.001 0.000 0.279 391 E C -1.692 174.913 176.600 0.008 0.000 0.964 391 E CA -0.858 55.554 56.400 0.019 0.000 0.777 391 E CB 1.806 31.511 29.700 0.007 0.000 1.249 391 E HN 0.683 nan 8.360 nan 0.000 0.449 392 L N 2.003 123.240 121.223 0.023 0.000 2.479 392 L HA 0.828 5.168 4.340 -0.001 0.000 0.249 392 L C -0.329 176.534 176.870 -0.013 0.000 1.178 392 L CA 0.465 55.315 54.840 0.015 0.000 0.811 392 L CB 1.373 43.462 42.059 0.050 0.000 1.187 392 L HN 0.671 nan 8.230 nan 0.000 0.480 393 A N 3.301 126.102 122.820 -0.031 0.000 3.368 393 A HA 0.285 4.604 4.320 -0.001 0.000 0.211 393 A C -0.389 177.174 177.584 -0.035 0.000 1.004 393 A CA -0.465 51.536 52.037 -0.060 0.000 1.059 393 A CB -0.653 18.252 19.000 -0.158 0.000 1.298 393 A HN 0.694 nan 8.150 nan 0.000 0.613 394 L N 0.118 121.370 121.223 0.048 0.000 2.517 394 L HA 0.192 4.531 4.340 -0.001 0.000 0.294 394 L C -0.036 176.999 176.870 0.274 0.000 1.264 394 L CA 0.814 55.726 54.840 0.121 0.000 0.839 394 L CB 0.309 42.435 42.059 0.111 0.000 1.098 394 L HN 0.584 nan 8.230 nan 0.000 0.525 395 W N 2.682 123.984 121.300 0.003 0.000 3.018 395 W HA 0.300 4.959 4.660 -0.001 0.000 0.352 395 W C 0.684 177.205 176.519 0.003 0.000 1.230 395 W CA -1.103 56.244 57.345 0.003 0.000 1.162 395 W CB 1.329 30.789 29.460 0.000 0.000 1.483 395 W HN 0.519 nan 8.180 nan 0.000 0.584 396 K N 0.310 120.635 120.400 -0.125 0.000 2.211 396 K HA -0.040 4.279 4.320 -0.001 0.000 0.204 396 K C 1.101 177.671 176.600 -0.049 0.000 1.047 396 K CA 1.937 58.133 56.287 -0.151 0.000 0.935 396 K CB -0.393 31.923 32.500 -0.308 0.000 0.728 396 K HN 0.533 nan 8.250 nan 0.000 0.452 397 G N 0.252 109.087 108.800 0.058 0.000 3.329 397 G HA2 0.250 4.209 3.960 -0.001 0.000 0.180 397 G HA3 0.250 4.209 3.960 -0.001 0.000 0.180 397 G C -0.106 174.925 174.900 0.219 0.000 1.640 397 G CA 0.091 45.294 45.100 0.171 0.000 1.018 397 G HN 0.148 nan 8.290 nan 0.000 0.581 398 V N -1.530 118.526 119.914 0.237 0.000 3.036 398 V HA 0.583 4.703 4.120 -0.001 0.000 0.308 398 V C 0.012 176.170 176.094 0.107 0.000 1.070 398 V CA -0.889 61.484 62.300 0.122 0.000 1.056 398 V CB 1.016 32.864 31.823 0.042 0.000 1.084 398 V HN 0.557 nan 8.190 nan 0.000 0.471 399 Q N 1.056 120.878 119.800 0.037 0.000 2.500 399 Q HA 0.598 4.938 4.340 -0.001 0.000 0.215 399 Q C -0.265 175.680 176.000 -0.091 0.000 1.062 399 Q CA 0.156 55.961 55.803 0.003 0.000 0.996 399 Q CB 0.721 29.469 28.738 0.017 0.000 1.239 399 Q HN 0.967 nan 8.270 nan 0.000 0.578 400 S N -0.218 115.408 115.700 -0.124 0.000 2.566 400 S HA 0.488 4.957 4.470 -0.001 0.000 0.273 400 S C -1.174 173.346 174.600 -0.134 0.000 1.157 400 S CA -0.741 57.343 58.200 -0.193 0.000 0.938 400 S CB 0.743 63.734 63.200 -0.347 0.000 1.087 400 S HN 0.371 nan 8.310 nan 0.000 0.474 401 L N 2.142 123.308 121.223 -0.094 0.000 2.387 401 L HA 0.827 5.167 4.340 -0.001 0.000 0.266 401 L C -0.806 176.035 176.870 -0.049 0.000 1.059 401 L CA -0.912 53.902 54.840 -0.042 0.000 0.801 401 L CB 1.370 43.425 42.059 -0.006 0.000 1.223 401 L HN 0.360 nan 8.230 nan 0.000 0.456 402 V N 2.211 122.111 119.914 -0.024 0.000 2.777 402 V HA 0.456 4.575 4.120 -0.001 0.000 0.306 402 V C -0.592 175.513 176.094 0.018 0.000 1.112 402 V CA -0.496 61.774 62.300 -0.050 0.000 0.917 402 V CB 2.200 33.953 31.823 -0.116 0.000 1.018 402 V HN 0.475 nan 8.190 nan 0.000 0.426 403 L N 2.993 124.247 121.223 0.052 0.000 2.354 403 L HA 0.890 5.229 4.340 -0.001 0.000 0.269 403 L C 0.512 177.412 176.870 0.051 0.000 1.005 403 L CA -0.708 54.183 54.840 0.085 0.000 0.819 403 L CB 2.161 44.310 42.059 0.151 0.000 1.311 403 L HN 0.764 nan 8.230 nan 0.000 0.423 404 G N 0.899 109.750 108.800 0.085 0.000 2.335 404 G HA2 0.597 4.557 3.960 -0.001 0.000 0.314 404 G HA3 0.597 4.557 3.960 -0.001 0.000 0.314 404 G C -0.505 174.449 174.900 0.089 0.000 1.129 404 G CA -0.327 44.807 45.100 0.057 0.000 0.912 404 G HN 0.713 nan 8.290 nan 0.000 0.443 405 A N 4.906 127.744 122.820 0.029 0.000 2.786 405 A HA 0.654 4.974 4.320 -0.001 0.000 0.346 405 A C -1.440 176.112 177.584 -0.053 0.000 1.265 405 A CA -1.372 50.689 52.037 0.040 0.000 0.858 405 A CB 1.199 20.242 19.000 0.072 0.000 1.118 405 A HN 0.405 nan 8.150 nan 0.000 0.482 406 P HA -0.154 nan 4.420 nan 0.000 0.218 406 P C 0.516 177.569 177.300 -0.412 0.000 1.146 406 P CA 1.322 64.061 63.100 -0.601 0.000 0.813 406 P CB 0.133 30.980 31.700 -1.422 0.000 0.778 407 R N -2.263 118.103 120.500 -0.223 0.000 2.834 407 R HA 0.198 4.538 4.340 -0.001 0.000 0.362 407 R C -0.571 175.631 176.300 -0.163 0.000 1.147 407 R CA -0.584 55.399 56.100 -0.196 0.000 1.125 407 R CB -0.242 29.910 30.300 -0.247 0.000 1.361 407 R HN 0.129 nan 8.270 nan 0.000 0.598 408 Y N 2.216 122.428 120.300 -0.146 0.000 2.531 408 Y HA -0.032 4.518 4.550 -0.001 0.000 0.347 408 Y C 0.476 176.324 175.900 -0.087 0.000 1.024 408 Y CA 0.417 58.452 58.100 -0.107 0.000 1.306 408 Y CB 0.223 38.658 38.460 -0.042 0.000 1.149 408 Y HN 0.401 nan 8.280 nan 0.000 0.527 409 Q N 5.798 125.259 119.800 -0.564 0.000 2.480 409 Q HA -0.350 3.990 4.340 -0.001 0.000 0.265 409 Q C 0.052 176.042 176.000 -0.018 0.000 1.072 409 Q CA 1.145 56.755 55.803 -0.320 0.000 1.018 409 Q CB -1.605 26.938 28.738 -0.324 0.000 1.433 409 Q HN 1.126 nan 8.270 nan 0.000 0.513 410 H N -4.096 114.916 119.070 -0.096 0.000 3.415 410 H HA -0.219 4.337 4.556 -0.001 0.000 0.213 410 H C 1.362 176.689 175.328 -0.001 0.000 1.091 410 H CA 1.794 57.812 56.048 -0.049 0.000 1.182 410 H CB -1.831 27.904 29.762 -0.044 0.000 1.160 410 H HN 0.751 nan 8.280 nan 0.000 0.319 411 T N -2.467 112.147 114.554 0.100 0.000 3.156 411 T HA 0.482 4.831 4.350 -0.001 0.000 0.236 411 T C 1.190 175.951 174.700 0.100 0.000 0.978 411 T CA 0.903 63.068 62.100 0.109 0.000 1.240 411 T CB 1.523 70.453 68.868 0.103 0.000 0.951 411 T HN 1.078 nan 8.240 nan 0.000 0.420 412 G N 1.154 110.033 108.800 0.131 0.000 2.944 412 G HA2 0.297 4.256 3.960 -0.001 0.000 0.471 412 G HA3 0.297 4.256 3.960 -0.001 0.000 0.471 412 G C -1.149 173.912 174.900 0.268 0.000 1.388 412 G CA -0.507 44.677 45.100 0.140 0.000 1.087 412 G HN 0.622 nan 8.290 nan 0.000 0.596 413 K N 1.042 121.557 120.400 0.191 0.000 2.395 413 K HA 0.911 5.230 4.320 -0.001 0.000 0.247 413 K C -0.170 176.488 176.600 0.097 0.000 0.973 413 K CA -0.410 55.958 56.287 0.136 0.000 0.828 413 K CB 2.172 34.512 32.500 -0.266 0.000 1.272 413 K HN 1.481 nan 8.250 nan 0.000 0.439 414 A N 2.413 125.313 122.820 0.133 0.000 2.330 414 A HA 0.602 4.921 4.320 -0.001 0.000 0.313 414 A C -1.366 176.159 177.584 -0.098 0.000 1.124 414 A CA -0.692 51.350 52.037 0.009 0.000 0.774 414 A CB 1.363 20.370 19.000 0.010 0.000 1.198 414 A HN 0.374 nan 8.150 nan 0.000 0.465 415 V N 3.774 123.558 119.914 -0.216 0.000 2.495 415 V HA 0.460 4.579 4.120 -0.001 0.000 0.298 415 V C -0.314 175.381 176.094 -0.665 0.000 1.031 415 V CA -0.290 61.727 62.300 -0.472 0.000 0.871 415 V CB 1.532 33.056 31.823 -0.499 0.000 0.988 415 V HN 0.768 nan 8.190 nan 0.000 0.432 416 I N 4.356 124.393 120.570 -0.889 0.000 2.412 416 I HA 0.548 4.717 4.170 -0.001 0.000 0.296 416 I C -0.945 174.587 176.117 -0.976 0.000 0.987 416 I CA -0.233 60.575 61.300 -0.821 0.000 1.180 416 I CB 1.519 38.979 38.000 -0.900 0.000 1.340 416 I HN 0.413 nan 8.210 nan 0.000 0.455 417 F N 2.619 122.328 119.950 -0.402 0.000 2.546 417 F HA 0.533 5.059 4.527 -0.001 0.000 0.320 417 F C 0.477 176.032 175.800 -0.409 0.000 1.076 417 F CA -0.669 57.099 58.000 -0.387 0.000 0.928 417 F CB 2.212 41.049 39.000 -0.273 0.000 1.189 417 F HN 0.279 nan 8.300 nan 0.000 0.465 418 T N 0.901 115.283 114.554 -0.286 0.000 2.932 418 T HA 0.393 4.743 4.350 -0.001 0.000 0.289 418 T C -0.853 173.680 174.700 -0.278 0.000 1.039 418 T CA -0.519 61.385 62.100 -0.328 0.000 1.024 418 T CB 1.237 69.816 68.868 -0.482 0.000 1.090 418 T HN 0.670 nan 8.240 nan 0.000 0.496 419 Q N 2.789 122.373 119.800 -0.360 0.000 2.851 419 Q HA 0.358 4.698 4.340 -0.001 0.000 0.331 419 Q C -0.456 175.040 176.000 -0.840 0.000 0.979 419 Q CA -0.486 54.834 55.803 -0.805 0.000 0.955 419 Q CB 1.186 29.481 28.738 -0.738 0.000 1.298 419 Q HN 0.460 nan 8.270 nan 0.000 0.432 420 V N 1.064 120.667 119.914 -0.518 0.000 2.963 420 V HA -0.035 4.085 4.120 -0.001 0.000 0.306 420 V C 0.935 176.718 176.094 -0.519 0.000 1.077 420 V CA 0.019 62.129 62.300 -0.317 0.000 1.124 420 V CB 1.547 33.365 31.823 -0.007 0.000 0.987 420 V HN 0.596 nan 8.190 nan 0.000 0.487 421 S N 4.566 120.088 115.700 -0.297 0.000 2.811 421 S HA 0.016 4.486 4.470 -0.001 0.000 0.325 421 S C 0.860 175.416 174.600 -0.072 0.000 1.224 421 S CA 0.100 58.178 58.200 -0.204 0.000 1.125 421 S CB -0.883 62.277 63.200 -0.066 0.000 0.867 421 S HN 0.770 nan 8.310 nan 0.000 0.512 422 R N 2.747 123.306 120.500 0.098 0.000 3.267 422 R HA -0.159 4.181 4.340 -0.001 0.000 0.254 422 R C 0.191 176.659 176.300 0.280 0.000 0.993 422 R CA 0.812 57.131 56.100 0.365 0.000 0.670 422 R CB -1.535 28.884 30.300 0.200 0.000 1.125 422 R HN 0.727 nan 8.270 nan 0.000 0.434 423 Q N -1.439 118.550 119.800 0.315 0.000 1.958 423 Q HA 0.046 4.385 4.340 -0.001 0.000 0.154 423 Q C 0.249 176.481 176.000 0.386 0.000 0.549 423 Q CA 0.247 56.194 55.803 0.241 0.000 0.824 423 Q CB 0.151 28.946 28.738 0.094 0.000 1.031 423 Q HN 0.452 nan 8.270 nan 0.000 0.312 424 W N 2.927 124.218 121.300 -0.015 0.000 5.563 424 W HA -0.228 4.431 4.660 -0.001 0.000 0.396 424 W C 0.116 176.586 176.519 -0.083 0.000 1.519 424 W CA 0.567 57.868 57.345 -0.073 0.000 0.953 424 W CB -1.348 28.049 29.460 -0.106 0.000 2.691 424 W HN 0.190 nan 8.180 nan 0.000 1.444 425 R N 0.017 120.542 120.500 0.041 0.000 2.603 425 R HA 0.645 4.984 4.340 -0.001 0.000 0.231 425 R C 0.630 176.877 176.300 -0.089 0.000 1.263 425 R CA -1.067 55.034 56.100 0.002 0.000 1.102 425 R CB 0.631 30.937 30.300 0.010 0.000 1.527 425 R HN 0.087 nan 8.270 nan 0.000 0.554 426 M N 1.282 120.800 119.600 -0.137 0.000 2.233 426 M HA 0.143 4.623 4.480 -0.001 0.000 0.355 426 M C 0.128 176.029 176.300 -0.664 0.000 1.191 426 M CA 0.075 55.176 55.300 -0.333 0.000 1.101 426 M CB 1.135 33.569 32.600 -0.277 0.000 1.592 426 M HN 0.410 nan 8.290 nan 0.000 0.461 427 K N 3.182 123.062 120.400 -0.866 0.000 1.991 427 K HA 0.341 4.661 4.320 -0.001 0.000 0.208 427 K C 0.394 176.642 176.600 -0.586 0.000 1.038 427 K CA 0.981 56.634 56.287 -1.056 0.000 0.943 427 K CB 0.073 31.973 32.500 -1.000 0.000 0.736 427 K HN 0.788 nan 8.250 nan 0.000 0.440 428 A N 0.649 123.112 122.820 -0.595 0.000 2.483 428 A HA 0.449 4.768 4.320 -0.001 0.000 0.306 428 A C -1.764 175.543 177.584 -0.462 0.000 1.137 428 A CA -0.829 50.981 52.037 -0.378 0.000 0.626 428 A CB 1.067 19.954 19.000 -0.189 0.000 1.352 428 A HN 0.297 nan 8.150 nan 0.000 0.508 429 E N -1.661 118.434 120.200 -0.175 0.000 2.422 429 E HA 0.591 4.941 4.350 -0.001 0.000 0.280 429 E C -1.411 175.302 176.600 0.188 0.000 1.091 429 E CA -0.714 55.626 56.400 -0.100 0.000 0.849 429 E CB 1.544 31.111 29.700 -0.221 0.000 1.353 429 E HN 1.901 nan 8.360 nan 0.000 0.449 430 V N -1.691 118.333 119.914 0.184 0.000 2.752 430 V HA 0.569 4.688 4.120 -0.001 0.000 0.302 430 V C 0.197 176.293 176.094 0.005 0.000 1.133 430 V CA -0.222 62.156 62.300 0.130 0.000 0.919 430 V CB 0.712 32.647 31.823 0.185 0.000 1.026 430 V HN 0.987 nan 8.190 nan 0.000 0.429 431 T N 2.431 116.927 114.554 -0.097 0.000 2.640 431 T HA 0.535 4.884 4.350 -0.001 0.000 0.316 431 T C 0.842 175.385 174.700 -0.261 0.000 1.036 431 T CA 0.432 62.457 62.100 -0.125 0.000 1.009 431 T CB 0.575 69.410 68.868 -0.056 0.000 1.017 431 T HN 1.715 nan 8.240 nan 0.000 0.530 432 G N -1.261 107.425 108.800 -0.191 0.000 2.547 432 G HA2 0.427 4.386 3.960 -0.001 0.000 0.291 432 G HA3 0.427 4.386 3.960 -0.001 0.000 0.291 432 G C 0.761 175.434 174.900 -0.379 0.000 1.211 432 G CA 0.000 44.866 45.100 -0.391 0.000 0.950 432 G HN 0.860 nan 8.290 nan 0.000 0.504 433 T N -2.024 112.268 114.554 -0.437 0.000 3.039 433 T HA 0.176 4.525 4.350 -0.001 0.000 0.250 433 T C 0.740 175.374 174.700 -0.111 0.000 1.052 433 T CA 0.994 62.902 62.100 -0.319 0.000 1.125 433 T CB -0.246 68.338 68.868 -0.475 0.000 0.908 433 T HN 0.572 nan 8.240 nan 0.000 0.473 434 Q N 0.134 119.909 119.800 -0.042 0.000 2.462 434 Q HA 0.454 4.794 4.340 -0.001 0.000 0.285 434 Q C -1.481 174.582 176.000 0.105 0.000 1.035 434 Q CA -0.869 54.991 55.803 0.096 0.000 0.799 434 Q CB 2.025 30.945 28.738 0.304 0.000 1.452 434 Q HN 0.408 nan 8.270 nan 0.000 0.404 435 I N 2.468 123.094 120.570 0.094 0.000 2.533 435 I HA 0.273 4.442 4.170 -0.001 0.000 0.284 435 I C 0.964 177.173 176.117 0.153 0.000 1.109 435 I CA 1.913 63.277 61.300 0.107 0.000 1.412 435 I CB 0.150 38.194 38.000 0.073 0.000 1.396 435 I HN 1.029 nan 8.210 nan 0.000 0.543 436 G N 4.098 113.004 108.800 0.177 0.000 2.234 436 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.260 436 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.260 436 G C 1.083 176.178 174.900 0.325 0.000 0.987 436 G CA 0.804 46.040 45.100 0.228 0.000 0.625 436 G HN 0.933 nan 8.290 nan 0.000 0.532 437 S N -1.000 114.891 115.700 0.319 0.000 2.407 437 S HA -0.174 4.296 4.470 -0.001 0.000 0.235 437 S C 1.294 176.147 174.600 0.422 0.000 1.036 437 S CA 1.865 60.302 58.200 0.395 0.000 1.013 437 S CB -0.324 63.043 63.200 0.278 0.000 0.820 437 S HN 1.868 nan 8.310 nan 0.000 0.476 438 Y N -0.742 119.669 120.300 0.184 0.000 3.661 438 Y HA -0.219 4.331 4.550 -0.001 0.000 0.224 438 Y C -0.120 175.831 175.900 0.084 0.000 1.342 438 Y CA 0.036 58.212 58.100 0.126 0.000 1.723 438 Y CB -2.137 36.417 38.460 0.156 0.000 1.546 438 Y HN 0.480 nan 8.280 nan 0.000 0.631 439 F N 1.593 121.551 119.950 0.013 0.000 2.516 439 F HA 0.415 4.941 4.527 -0.001 0.000 0.351 439 F C 1.096 176.867 175.800 -0.047 0.000 1.208 439 F CA 1.654 59.631 58.000 -0.038 0.000 1.073 439 F CB 0.157 39.102 39.000 -0.091 0.000 1.203 439 F HN 0.335 nan 8.300 nan 0.000 0.602 440 G N 3.145 111.701 108.800 -0.406 0.000 3.254 440 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.219 440 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.219 440 G C 1.055 175.890 174.900 -0.108 0.000 0.964 440 G CA 0.016 44.935 45.100 -0.301 0.000 0.823 440 G HN 0.987 nan 8.290 nan 0.000 0.579 441 A N 0.778 123.605 122.820 0.012 0.000 1.859 441 A HA 0.218 4.537 4.320 -0.001 0.000 0.218 441 A C 1.615 179.270 177.584 0.119 0.000 1.242 441 A CA 2.468 54.592 52.037 0.146 0.000 0.661 441 A CB -0.761 18.323 19.000 0.140 0.000 0.842 441 A HN 1.117 nan 8.150 nan 0.000 0.455 442 S N -1.733 113.965 115.700 -0.003 0.000 2.578 442 S HA 0.719 5.189 4.470 -0.001 0.000 0.301 442 S C -0.945 173.612 174.600 -0.072 0.000 1.091 442 S CA -0.425 57.764 58.200 -0.018 0.000 1.032 442 S CB 1.513 64.674 63.200 -0.065 0.000 1.064 442 S HN 0.347 nan 8.310 nan 0.000 0.508 443 L N 1.191 122.389 121.223 -0.043 0.000 2.472 443 L HA 0.626 4.966 4.340 -0.001 0.000 0.260 443 L C -1.234 175.617 176.870 -0.033 0.000 0.963 443 L CA -0.284 54.524 54.840 -0.054 0.000 0.829 443 L CB 2.142 44.175 42.059 -0.044 0.000 1.348 443 L HN 0.842 nan 8.230 nan 0.000 0.408 444 C N 1.989 121.269 119.300 -0.033 0.000 2.727 444 C HA 0.634 5.093 4.460 -0.001 0.000 0.369 444 C C -0.177 174.811 174.990 -0.004 0.000 1.067 444 C CA -0.685 58.323 59.018 -0.016 0.000 1.273 444 C CB 0.495 28.220 27.740 -0.024 0.000 1.778 444 C HN 0.864 nan 8.230 nan 0.000 0.467 445 S N 4.806 120.510 115.700 0.006 0.000 2.455 445 S HA 0.566 5.036 4.470 -0.001 0.000 0.278 445 S C -0.292 174.325 174.600 0.028 0.000 1.216 445 S CA -0.394 57.817 58.200 0.018 0.000 1.055 445 S CB 1.149 64.357 63.200 0.014 0.000 0.939 445 S HN 1.128 nan 8.310 nan 0.000 0.494 446 V N 2.081 122.016 119.914 0.034 0.000 3.046 446 V HA 0.549 4.669 4.120 -0.001 0.000 0.316 446 V C -1.214 174.913 176.094 0.055 0.000 1.104 446 V CA -0.891 61.434 62.300 0.041 0.000 1.006 446 V CB 2.174 34.017 31.823 0.034 0.000 1.058 446 V HN 1.012 nan 8.190 nan 0.000 0.440 447 D N 3.313 123.748 120.400 0.059 0.000 2.462 447 D HA 0.146 4.786 4.640 -0.001 0.000 0.249 447 D C 0.818 177.159 176.300 0.068 0.000 1.117 447 D CA 0.007 54.047 54.000 0.066 0.000 0.900 447 D CB 1.603 42.441 40.800 0.062 0.000 1.039 447 D HN 0.349 nan 8.370 nan 0.000 0.516 448 V N 3.701 123.658 119.914 0.072 0.000 2.370 448 V HA -0.290 3.829 4.120 -0.001 0.000 0.252 448 V C 0.846 176.986 176.094 0.077 0.000 1.068 448 V CA 2.859 65.206 62.300 0.078 0.000 1.061 448 V CB -0.058 31.811 31.823 0.078 0.000 0.656 448 V HN 0.677 nan 8.190 nan 0.000 0.455 449 D N -1.568 118.872 120.400 0.068 0.000 2.540 449 D HA 0.263 4.902 4.640 -0.001 0.000 0.229 449 D C 0.582 176.915 176.300 0.056 0.000 1.258 449 D CA 0.470 54.507 54.000 0.062 0.000 1.158 449 D CB 0.483 41.315 40.800 0.053 0.000 1.178 449 D HN 0.155 nan 8.370 nan 0.000 0.541 450 S N -1.081 114.647 115.700 0.047 0.000 3.078 450 S HA 0.105 4.574 4.470 -0.001 0.000 0.248 450 S C -0.168 174.451 174.600 0.031 0.000 0.857 450 S CA -0.206 58.019 58.200 0.041 0.000 1.139 450 S CB 0.054 63.278 63.200 0.040 0.000 1.186 450 S HN 0.523 nan 8.310 nan 0.000 0.567 451 D N 1.411 121.828 120.400 0.029 0.000 2.363 451 D HA 0.144 4.783 4.640 -0.001 0.000 0.220 451 D C 1.525 177.834 176.300 0.015 0.000 0.994 451 D CA 1.042 55.051 54.000 0.015 0.000 0.890 451 D CB -0.484 40.319 40.800 0.005 0.000 0.906 451 D HN 0.474 nan 8.370 nan 0.000 0.530 452 G N -0.453 108.365 108.800 0.031 0.000 2.234 452 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.260 452 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.260 452 G C 0.268 175.202 174.900 0.057 0.000 0.987 452 G CA 0.363 45.486 45.100 0.038 0.000 0.625 452 G HN 0.458 nan 8.290 nan 0.000 0.532 453 S N 1.406 117.138 115.700 0.054 0.000 2.475 453 S HA 0.555 5.025 4.470 -0.001 0.000 0.281 453 S C 0.444 175.144 174.600 0.167 0.000 1.198 453 S CA -0.044 58.220 58.200 0.106 0.000 1.063 453 S CB 1.571 64.764 63.200 -0.011 0.000 0.972 453 S HN 0.391 nan 8.310 nan 0.000 0.486 454 T N 3.558 118.252 114.554 0.232 0.000 2.867 454 T HA 0.011 4.361 4.350 -0.001 0.000 0.297 454 T C 0.564 175.384 174.700 0.200 0.000 0.989 454 T CA 0.182 62.386 62.100 0.173 0.000 1.159 454 T CB 0.241 69.181 68.868 0.120 0.000 0.928 454 T HN 0.510 nan 8.240 nan 0.000 0.538 455 D N 1.496 121.978 120.400 0.137 0.000 2.323 455 D HA 0.210 4.849 4.640 -0.001 0.000 0.218 455 D C 0.535 176.896 176.300 0.102 0.000 0.973 455 D CA 0.633 54.711 54.000 0.130 0.000 0.890 455 D CB 0.269 41.127 40.800 0.097 0.000 1.011 455 D HN 0.536 nan 8.370 nan 0.000 0.499 456 L N -3.008 118.261 121.223 0.078 0.000 2.510 456 L HA 0.761 5.100 4.340 -0.001 0.000 0.252 456 L C -1.140 175.763 176.870 0.055 0.000 1.091 456 L CA -1.078 53.797 54.840 0.058 0.000 0.888 456 L CB 2.107 44.188 42.059 0.036 0.000 1.507 456 L HN -0.354 nan 8.230 nan 0.000 0.407 457 V N 1.024 120.972 119.914 0.056 0.000 2.777 457 V HA 0.501 4.621 4.120 -0.001 0.000 0.306 457 V C -0.472 175.640 176.094 0.029 0.000 1.112 457 V CA -0.323 62.009 62.300 0.054 0.000 0.917 457 V CB 1.878 33.762 31.823 0.102 0.000 1.018 457 V HN 0.720 nan 8.190 nan 0.000 0.426 458 L N 4.956 126.173 121.223 -0.010 0.000 2.399 458 L HA 0.681 5.021 4.340 -0.001 0.000 0.265 458 L C -0.560 176.260 176.870 -0.083 0.000 1.089 458 L CA -0.492 54.319 54.840 -0.049 0.000 0.802 458 L CB 1.548 43.559 42.059 -0.080 0.000 1.180 458 L HN 0.448 nan 8.230 nan 0.000 0.454 459 I N -0.291 120.199 120.570 -0.133 0.000 2.994 459 I HA 0.549 4.718 4.170 -0.001 0.000 0.306 459 I C -0.102 175.860 176.117 -0.259 0.000 1.195 459 I CA -0.596 60.549 61.300 -0.258 0.000 1.001 459 I CB 2.385 40.096 38.000 -0.483 0.000 1.244 459 I HN 0.607 nan 8.210 nan 0.000 0.437 460 G N 2.040 110.670 108.800 -0.282 0.000 2.453 460 G HA2 0.757 4.716 3.960 -0.001 0.000 0.323 460 G HA3 0.757 4.716 3.960 -0.001 0.000 0.323 460 G C -0.905 173.911 174.900 -0.140 0.000 1.198 460 G CA -0.552 44.426 45.100 -0.204 0.000 0.959 460 G HN 0.828 nan 8.290 nan 0.000 0.482 461 A N 2.172 124.951 122.820 -0.069 0.000 3.346 461 A HA 0.592 4.911 4.320 -0.001 0.000 0.222 461 A C -1.984 175.620 177.584 0.034 0.000 1.138 461 A CA -0.443 51.628 52.037 0.057 0.000 1.074 461 A CB 0.885 19.959 19.000 0.122 0.000 1.347 461 A HN 0.343 nan 8.150 nan 0.000 0.751 462 P HA -0.160 nan 4.420 nan 0.000 0.218 462 P C 0.303 177.448 177.300 -0.259 0.000 1.146 462 P CA 1.421 64.338 63.100 -0.305 0.000 0.820 462 P CB -0.084 31.238 31.700 -0.630 0.000 0.778 463 H N -2.370 116.790 119.070 0.150 0.000 2.375 463 H HA 0.297 4.852 4.556 -0.001 0.000 0.230 463 H C -0.591 174.953 175.328 0.361 0.000 1.511 463 H CA -0.532 55.628 56.048 0.187 0.000 1.215 463 H CB -0.539 29.280 29.762 0.095 0.000 1.580 463 H HN 0.172 nan 8.280 nan 0.000 0.537 464 Y N 2.148 122.637 120.300 0.315 0.000 2.576 464 Y HA 0.490 5.039 4.550 -0.001 0.000 0.346 464 Y C -1.380 174.781 175.900 0.436 0.000 1.018 464 Y CA -1.388 56.901 58.100 0.315 0.000 1.050 464 Y CB 1.627 40.199 38.460 0.187 0.000 1.280 464 Y HN 0.267 nan 8.280 nan 0.000 0.474 465 Y N 0.581 120.346 120.300 -0.893 0.000 2.960 465 Y HA 0.390 4.939 4.550 -0.001 0.000 0.361 465 Y C -0.602 174.930 175.900 -0.613 0.000 1.318 465 Y CA -0.633 57.100 58.100 -0.612 0.000 1.103 465 Y CB 0.480 38.842 38.460 -0.164 0.000 1.650 465 Y HN 0.565 nan 8.280 nan 0.000 0.436 466 E N -1.599 118.458 120.200 -0.238 0.000 2.662 466 E HA 0.178 4.527 4.350 -0.001 0.000 0.205 466 E C 0.318 176.961 176.600 0.072 0.000 1.003 466 E CA 0.133 56.404 56.400 -0.215 0.000 1.685 466 E CB 0.278 29.887 29.700 -0.150 0.000 2.386 466 E HN 0.471 nan 8.360 nan 0.000 1.092 467 Q N 0.279 120.165 119.800 0.143 0.000 2.427 467 Q HA 0.249 4.588 4.340 -0.001 0.000 0.249 467 Q C -0.116 175.946 176.000 0.103 0.000 0.783 467 Q CA 0.895 56.774 55.803 0.127 0.000 0.978 467 Q CB 2.040 30.816 28.738 0.063 0.000 1.273 467 Q HN 0.083 nan 8.270 nan 0.000 0.524 468 T N 1.579 116.197 114.554 0.106 0.000 2.812 468 T HA 0.428 4.778 4.350 -0.001 0.000 0.282 468 T C 0.078 174.840 174.700 0.104 0.000 0.990 468 T CA -0.430 61.704 62.100 0.056 0.000 0.960 468 T CB 1.592 70.490 68.868 0.051 0.000 0.948 468 T HN -0.046 nan 8.240 nan 0.000 0.438 469 R N 2.022 122.548 120.500 0.043 0.000 4.031 469 R HA 0.211 4.550 4.340 -0.001 0.000 0.269 469 R C 1.864 178.287 176.300 0.206 0.000 1.668 469 R CA -0.295 55.882 56.100 0.129 0.000 1.432 469 R CB -0.273 30.063 30.300 0.060 0.000 1.374 469 R HN 0.861 nan 8.270 nan 0.000 0.681 470 G N 0.077 108.994 108.800 0.195 0.000 2.418 470 G HA2 0.016 3.976 3.960 -0.001 0.000 0.217 470 G HA3 0.016 3.976 3.960 -0.001 0.000 0.217 470 G C 0.677 175.760 174.900 0.305 0.000 1.158 470 G CA 0.825 46.063 45.100 0.231 0.000 0.771 470 G HN 0.613 nan 8.290 nan 0.000 0.545 471 G N -2.045 106.956 108.800 0.334 0.000 2.325 471 G HA2 0.435 4.394 3.960 -0.001 0.000 0.285 471 G HA3 0.435 4.394 3.960 -0.001 0.000 0.285 471 G C -1.784 173.383 174.900 0.445 0.000 1.303 471 G CA 0.081 45.402 45.100 0.369 0.000 0.970 471 G HN 0.757 nan 8.290 nan 0.000 0.490 472 Q N -1.084 118.919 119.800 0.339 0.000 2.429 472 Q HA 0.570 4.910 4.340 -0.001 0.000 0.247 472 Q C -1.415 174.613 176.000 0.045 0.000 0.915 472 Q CA -0.486 55.496 55.803 0.298 0.000 0.971 472 Q CB 1.910 30.850 28.738 0.336 0.000 1.468 472 Q HN 1.150 nan 8.270 nan 0.000 0.439 473 V N 2.188 122.109 119.914 0.012 0.000 2.628 473 V HA 0.854 4.974 4.120 -0.001 0.000 0.306 473 V C -0.569 175.549 176.094 0.040 0.000 1.045 473 V CA -0.675 61.555 62.300 -0.117 0.000 0.905 473 V CB 2.037 33.652 31.823 -0.346 0.000 0.997 473 V HN 0.725 nan 8.190 nan 0.000 0.436 474 S N 2.940 118.657 115.700 0.029 0.000 2.552 474 S HA 0.563 5.033 4.470 -0.001 0.000 0.314 474 S C -0.933 173.699 174.600 0.054 0.000 1.099 474 S CA -0.475 57.796 58.200 0.119 0.000 1.070 474 S CB 1.572 64.931 63.200 0.266 0.000 0.998 474 S HN 0.715 nan 8.310 nan 0.000 0.474 475 V N 5.963 125.911 119.914 0.057 0.000 2.498 475 V HA 0.593 4.712 4.120 -0.001 0.000 0.279 475 V C -0.798 175.281 176.094 -0.024 0.000 1.048 475 V CA -0.121 62.187 62.300 0.013 0.000 0.967 475 V CB 0.264 32.098 31.823 0.020 0.000 0.988 475 V HN 1.067 nan 8.190 nan 0.000 0.473 476 c N 8.037 126.597 118.600 -0.066 0.000 3.078 476 c HA 0.421 4.990 4.570 -0.001 0.000 0.320 476 c C -2.440 171.540 174.090 -0.184 0.000 1.039 476 c CA -1.098 55.090 56.329 -0.234 0.000 1.386 476 c CB 0.770 43.113 42.510 -0.279 0.000 1.836 476 c HN 0.754 nan 8.230 nan 0.000 0.514 477 P HA 0.067 nan 4.420 nan 0.000 0.271 477 P C -0.168 177.088 177.300 -0.074 0.000 1.238 477 P CA -0.150 62.866 63.100 -0.139 0.000 0.794 477 P CB 0.551 32.150 31.700 -0.170 0.000 0.959 478 L N 1.895 123.163 121.223 0.076 0.000 2.719 478 L HA 0.345 4.685 4.340 -0.001 0.000 0.236 478 L C -2.215 174.726 176.870 0.119 0.000 1.221 478 L CA -1.843 53.124 54.840 0.212 0.000 1.048 478 L CB -0.525 41.586 42.059 0.087 0.000 1.364 478 L HN 0.226 nan 8.230 nan 0.000 0.447 479 P HA 0.006 nan 4.420 nan 0.000 0.263 479 P C -0.266 177.130 177.300 0.160 0.000 1.175 479 P CA 0.189 63.298 63.100 0.015 0.000 0.761 479 P CB 0.461 31.967 31.700 -0.323 0.000 0.794 480 R N 2.322 122.969 120.500 0.244 0.000 2.346 480 R HA 0.648 4.988 4.340 -0.001 0.000 0.311 480 R C -0.256 176.186 176.300 0.237 0.000 0.983 480 R CA -0.032 56.245 56.100 0.296 0.000 0.880 480 R CB 0.294 30.904 30.300 0.516 0.000 1.100 480 R HN 0.699 nan 8.270 nan 0.000 0.453 481 G N 4.324 113.265 108.800 0.235 0.000 2.491 481 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.508 481 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.508 481 G C -0.969 174.091 174.900 0.266 0.000 1.143 481 G CA -0.786 44.404 45.100 0.149 0.000 1.277 481 G HN 0.363 nan 8.290 nan 0.000 0.599 482 W N 1.829 123.141 121.300 0.020 0.000 2.005 482 W HA 0.457 5.117 4.660 -0.001 0.000 0.358 482 W C 1.761 178.303 176.519 0.038 0.000 1.343 482 W CA 0.169 57.509 57.345 -0.009 0.000 1.355 482 W CB -0.170 29.263 29.460 -0.044 0.000 1.263 482 W HN 0.902 nan 8.180 nan 0.000 0.643 483 R N -1.209 119.456 120.500 0.275 0.000 3.977 483 R HA -0.238 4.102 4.340 -0.001 0.000 0.428 483 R C 0.291 176.716 176.300 0.208 0.000 1.079 483 R CA 1.411 57.626 56.100 0.191 0.000 1.269 483 R CB -1.205 29.199 30.300 0.174 0.000 1.856 483 R HN 0.493 nan 8.270 nan 0.000 0.551 484 R N -0.116 120.550 120.500 0.276 0.000 2.510 484 R HA 0.367 4.707 4.340 -0.001 0.000 0.287 484 R C -2.080 174.532 176.300 0.519 0.000 1.084 484 R CA -0.600 55.726 56.100 0.376 0.000 0.934 484 R CB 1.269 31.793 30.300 0.374 0.000 1.201 484 R HN 0.128 nan 8.270 nan 0.000 0.431 485 W N 6.810 128.289 121.300 0.298 0.000 4.199 485 W HA 0.325 4.984 4.660 -0.001 0.000 0.288 485 W C -2.276 174.338 176.519 0.159 0.000 1.244 485 W CA -0.692 56.657 57.345 0.007 0.000 1.309 485 W CB 0.804 30.179 29.460 -0.142 0.000 1.199 485 W HN 0.566 nan 8.180 nan 0.000 0.485 486 W N 4.983 125.916 121.300 -0.612 0.000 2.600 486 W HA 0.610 5.269 4.660 -0.001 0.000 0.325 486 W C -0.370 175.656 176.519 -0.820 0.000 1.034 486 W CA -1.148 55.870 57.345 -0.546 0.000 1.226 486 W CB 0.641 29.932 29.460 -0.281 0.000 1.379 486 W HN 0.271 nan 8.180 nan 0.000 0.466 487 c N 2.183 120.434 118.600 -0.582 0.000 2.546 487 c HA -0.059 4.511 4.570 -0.001 0.000 0.275 487 c C 0.881 174.891 174.090 -0.133 0.000 1.393 487 c CA 0.666 56.736 56.329 -0.431 0.000 1.703 487 c CB -1.891 40.509 42.510 -0.183 0.000 1.710 487 c HN 0.722 nan 8.230 nan 0.000 0.581 488 D N 0.466 120.875 120.400 0.014 0.000 2.930 488 D HA 0.331 4.970 4.640 -0.001 0.000 0.304 488 D C 0.524 176.988 176.300 0.275 0.000 1.298 488 D CA -0.060 54.012 54.000 0.120 0.000 0.949 488 D CB 0.129 40.972 40.800 0.073 0.000 1.013 488 D HN 0.266 nan 8.370 nan 0.000 0.510 489 A N 1.833 124.800 122.820 0.245 0.000 3.051 489 A HA 0.467 4.787 4.320 -0.001 0.000 0.257 489 A C 1.328 178.986 177.584 0.123 0.000 1.785 489 A CA -0.120 52.051 52.037 0.223 0.000 1.420 489 A CB -0.879 18.207 19.000 0.144 0.000 1.063 489 A HN 0.419 nan 8.150 nan 0.000 0.630 490 V N -1.320 118.661 119.914 0.112 0.000 0.682 490 V HA -0.387 3.733 4.120 -0.001 0.000 0.092 490 V C 1.207 177.374 176.094 0.122 0.000 0.919 490 V CA 2.009 64.361 62.300 0.088 0.000 3.126 490 V CB -2.142 29.711 31.823 0.049 0.000 0.271 490 V HN 1.277 nan 8.190 nan 0.000 0.224 491 L N 0.838 122.100 121.223 0.065 0.000 2.505 491 L HA 0.713 5.052 4.340 -0.001 0.000 0.226 491 L C -0.308 176.626 176.870 0.107 0.000 1.211 491 L CA 0.163 54.981 54.840 -0.036 0.000 0.828 491 L CB 0.162 42.191 42.059 -0.049 0.000 1.331 491 L HN 1.109 nan 8.230 nan 0.000 0.513 492 Y N -2.672 117.674 120.300 0.075 0.000 2.246 492 Y HA 0.637 5.187 4.550 -0.001 0.000 0.315 492 Y C -0.225 175.749 175.900 0.124 0.000 1.251 492 Y CA -1.115 57.031 58.100 0.077 0.000 1.212 492 Y CB -0.218 38.290 38.460 0.080 0.000 1.277 492 Y HN 0.939 nan 8.280 nan 0.000 0.398 493 G N 2.429 111.351 108.800 0.203 0.000 2.483 493 G HA2 0.534 4.494 3.960 -0.001 0.000 0.248 493 G HA3 0.534 4.494 3.960 -0.001 0.000 0.248 493 G C -0.507 174.670 174.900 0.462 0.000 1.248 493 G CA -0.077 45.178 45.100 0.258 0.000 0.838 493 G HN 0.819 nan 8.290 nan 0.000 0.566 494 E N -0.451 119.879 120.200 0.218 0.000 2.212 494 E HA 0.554 4.903 4.350 -0.001 0.000 0.139 494 E C -0.992 175.303 176.600 -0.507 0.000 1.180 494 E CA -0.747 55.673 56.400 0.034 0.000 0.838 494 E CB 1.214 31.039 29.700 0.208 0.000 2.142 494 E HN 0.408 nan 8.360 nan 0.000 0.492 495 Q N -0.713 118.954 119.800 -0.222 0.000 2.791 495 Q HA 0.368 4.707 4.340 -0.001 0.000 0.280 495 Q C -1.726 174.290 176.000 0.027 0.000 0.928 495 Q CA 0.007 55.708 55.803 -0.170 0.000 0.819 495 Q CB 1.563 30.100 28.738 -0.334 0.000 1.552 495 Q HN 0.586 nan 8.270 nan 0.000 0.410 496 G N 1.749 110.598 108.800 0.081 0.000 3.506 496 G HA2 0.451 4.410 3.960 -0.001 0.000 0.268 496 G HA3 0.451 4.410 3.960 -0.001 0.000 0.268 496 G C -1.002 174.007 174.900 0.182 0.000 0.959 496 G CA 0.370 45.536 45.100 0.109 0.000 1.823 496 G HN 0.598 nan 8.290 nan 0.000 0.615 497 H N 0.732 119.839 119.070 0.060 0.000 3.298 497 H HA 0.343 4.899 4.556 -0.001 0.000 0.328 497 H C -2.794 172.592 175.328 0.097 0.000 1.278 497 H CA -0.929 55.162 56.048 0.072 0.000 1.609 497 H CB 1.965 31.784 29.762 0.095 0.000 2.082 497 H HN 0.183 nan 8.280 nan 0.000 0.465 498 P HA -0.113 nan 4.420 nan 0.000 0.270 498 P C -0.295 177.041 177.300 0.061 0.000 1.221 498 P CA 0.273 63.310 63.100 -0.104 0.000 0.788 498 P CB 0.371 31.902 31.700 -0.281 0.000 0.904 499 W N 0.212 121.484 121.300 -0.047 0.000 6.486 499 W HA -0.114 4.546 4.660 -0.001 0.000 0.411 499 W C 1.237 177.829 176.519 0.122 0.000 1.595 499 W CA 1.267 58.626 57.345 0.022 0.000 1.075 499 W CB -2.420 27.030 29.460 -0.016 0.000 2.798 499 W HN 0.567 nan 8.180 nan 0.000 1.534 500 G N -0.884 108.131 108.800 0.357 0.000 2.784 500 G HA2 0.112 4.072 3.960 -0.001 0.000 0.208 500 G HA3 0.112 4.072 3.960 -0.001 0.000 0.208 500 G C 0.904 175.967 174.900 0.271 0.000 1.120 500 G CA 0.027 45.347 45.100 0.367 0.000 0.774 500 G HN 0.234 nan 8.290 nan 0.000 0.528 501 R N -0.811 119.805 120.500 0.194 0.000 3.209 501 R HA -0.194 4.146 4.340 -0.001 0.000 0.252 501 R C -0.742 175.644 176.300 0.142 0.000 0.958 501 R CA 0.232 56.366 56.100 0.057 0.000 0.651 501 R CB -2.207 28.094 30.300 0.002 0.000 1.142 501 R HN 0.425 nan 8.270 nan 0.000 0.441 502 F N 0.597 120.582 119.950 0.058 0.000 2.390 502 F HA 0.414 4.941 4.527 -0.001 0.000 0.361 502 F C 1.249 177.058 175.800 0.015 0.000 1.124 502 F CA 1.041 59.085 58.000 0.073 0.000 1.149 502 F CB 1.040 40.084 39.000 0.073 0.000 1.160 502 F HN 0.374 nan 8.300 nan 0.000 0.501 503 G N 3.500 111.975 108.800 -0.542 0.000 2.198 503 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.156 503 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.156 503 G C 0.851 175.596 174.900 -0.259 0.000 1.012 503 G CA 0.004 44.793 45.100 -0.518 0.000 0.692 503 G HN 1.128 nan 8.290 nan 0.000 0.492 504 A N -0.475 122.240 122.820 -0.175 0.000 1.940 504 A HA 0.594 4.913 4.320 -0.001 0.000 0.219 504 A C 1.612 179.143 177.584 -0.089 0.000 1.176 504 A CA 2.722 54.688 52.037 -0.119 0.000 0.631 504 A CB -0.194 18.760 19.000 -0.076 0.000 0.814 504 A HN 2.311 nan 8.150 nan 0.000 0.446 505 A N -2.451 120.310 122.820 -0.098 0.000 2.568 505 A HA 0.736 5.056 4.320 -0.001 0.000 0.291 505 A C -1.510 176.020 177.584 -0.089 0.000 1.159 505 A CA -0.095 51.896 52.037 -0.077 0.000 0.679 505 A CB 0.662 19.627 19.000 -0.059 0.000 1.285 505 A HN 1.522 nan 8.150 nan 0.000 0.428 506 L N -3.636 117.550 121.223 -0.063 0.000 3.025 506 L HA 0.789 5.128 4.340 -0.001 0.000 0.240 506 L C -0.691 176.162 176.870 -0.029 0.000 0.985 506 L CA -0.156 54.653 54.840 -0.052 0.000 1.029 506 L CB 0.983 42.987 42.059 -0.092 0.000 1.519 506 L HN 1.212 nan 8.230 nan 0.000 0.422 507 T N -0.005 114.543 114.554 -0.010 0.000 2.923 507 T HA 0.621 4.970 4.350 -0.001 0.000 0.311 507 T C -1.295 173.413 174.700 0.014 0.000 1.183 507 T CA -0.248 61.854 62.100 0.003 0.000 1.020 507 T CB 2.110 70.984 68.868 0.010 0.000 1.165 507 T HN 1.442 nan 8.240 nan 0.000 0.482 508 V N 5.794 125.719 119.914 0.018 0.000 2.599 508 V HA 0.295 4.415 4.120 -0.001 0.000 0.300 508 V C 0.751 176.862 176.094 0.029 0.000 1.034 508 V CA 0.300 62.616 62.300 0.026 0.000 1.115 508 V CB 0.806 32.646 31.823 0.029 0.000 0.934 508 V HN 0.870 nan 8.190 nan 0.000 0.485 509 L N 7.053 128.296 121.223 0.034 0.000 2.500 509 L HA 0.671 5.011 4.340 -0.001 0.000 0.219 509 L C 1.021 177.911 176.870 0.033 0.000 1.057 509 L CA 1.875 56.734 54.840 0.032 0.000 0.854 509 L CB -0.377 41.702 42.059 0.033 0.000 1.078 509 L HN 1.200 nan 8.230 nan 0.000 0.480 510 G N -0.382 108.443 108.800 0.042 0.000 2.482 510 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.214 510 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.214 510 G C -0.970 173.964 174.900 0.056 0.000 1.271 510 G CA -0.068 45.059 45.100 0.046 0.000 0.944 510 G HN 0.290 nan 8.290 nan 0.000 0.568 511 D N 1.027 121.460 120.400 0.055 0.000 2.352 511 D HA 0.358 4.998 4.640 -0.001 0.000 0.245 511 D C 1.699 178.029 176.300 0.050 0.000 1.224 511 D CA 0.499 54.538 54.000 0.065 0.000 0.879 511 D CB 1.087 41.927 40.800 0.066 0.000 1.057 511 D HN 1.034 nan 8.370 nan 0.000 0.491 512 V N 2.184 122.124 119.914 0.044 0.000 3.151 512 V HA 0.088 4.207 4.120 -0.001 0.000 0.241 512 V C 1.425 177.516 176.094 -0.005 0.000 1.173 512 V CA 0.599 62.903 62.300 0.007 0.000 1.154 512 V CB -0.388 31.419 31.823 -0.026 0.000 0.898 512 V HN 0.463 nan 8.190 nan 0.000 0.473 513 N N 1.420 120.118 118.700 -0.004 0.000 2.336 513 N HA 0.271 5.011 4.740 -0.001 0.000 0.189 513 N C 1.492 177.150 175.510 0.247 0.000 1.113 513 N CA 0.774 53.845 53.050 0.035 0.000 0.858 513 N CB 0.340 38.745 38.487 -0.137 0.000 0.970 513 N HN 0.958 nan 8.380 nan 0.000 0.471 514 G N 1.102 110.022 108.800 0.199 0.000 2.143 514 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.248 514 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.248 514 G C -0.030 175.078 174.900 0.346 0.000 0.991 514 G CA 0.480 45.730 45.100 0.249 0.000 0.689 514 G HN 0.683 nan 8.290 nan 0.000 0.522 515 D N -0.103 120.452 120.400 0.258 0.000 2.460 515 D HA 0.274 4.914 4.640 -0.001 0.000 0.229 515 D C 1.376 177.760 176.300 0.140 0.000 1.170 515 D CA -0.115 54.003 54.000 0.196 0.000 0.827 515 D CB 0.016 40.849 40.800 0.056 0.000 0.973 515 D HN 0.282 nan 8.370 nan 0.000 0.496 516 K N -0.570 119.911 120.400 0.136 0.000 3.426 516 K HA -0.190 4.130 4.320 -0.001 0.000 0.315 516 K C -0.395 176.262 176.600 0.094 0.000 1.293 516 K CA 0.538 56.886 56.287 0.102 0.000 0.955 516 K CB -1.986 30.569 32.500 0.092 0.000 1.238 516 K HN 0.427 nan 8.250 nan 0.000 0.441 517 L N 1.971 123.257 121.223 0.105 0.000 2.337 517 L HA 0.183 4.523 4.340 -0.001 0.000 0.269 517 L C 0.787 177.736 176.870 0.132 0.000 1.018 517 L CA -0.397 54.511 54.840 0.113 0.000 0.876 517 L CB 1.696 43.825 42.059 0.118 0.000 1.236 517 L HN -0.041 nan 8.230 nan 0.000 0.436 518 T N 1.758 116.378 114.554 0.110 0.000 2.923 518 T HA -0.022 4.328 4.350 -0.001 0.000 0.320 518 T C -0.312 174.465 174.700 0.129 0.000 1.074 518 T CA 0.383 62.545 62.100 0.104 0.000 1.131 518 T CB 0.098 69.014 68.868 0.082 0.000 1.058 518 T HN 0.467 nan 8.240 nan 0.000 0.535 519 D N 1.613 122.079 120.400 0.110 0.000 2.575 519 D HA 0.557 5.196 4.640 -0.001 0.000 0.236 519 D C -0.332 176.003 176.300 0.058 0.000 1.075 519 D CA -0.329 53.724 54.000 0.089 0.000 0.860 519 D CB 1.867 42.716 40.800 0.082 0.000 1.475 519 D HN 0.496 nan 8.370 nan 0.000 0.474 520 V N -1.712 118.240 119.914 0.062 0.000 2.960 520 V HA 0.845 4.964 4.120 -0.001 0.000 0.315 520 V C -0.383 175.773 176.094 0.104 0.000 1.087 520 V CA -0.755 61.584 62.300 0.065 0.000 0.982 520 V CB 1.824 33.672 31.823 0.042 0.000 1.039 520 V HN 0.282 nan 8.190 nan 0.000 0.437 521 V N 2.756 122.721 119.914 0.086 0.000 2.715 521 V HA 0.652 4.772 4.120 -0.001 0.000 0.310 521 V C -0.347 175.808 176.094 0.102 0.000 1.054 521 V CA -0.469 61.903 62.300 0.121 0.000 0.928 521 V CB 1.743 33.612 31.823 0.076 0.000 1.007 521 V HN 0.837 nan 8.190 nan 0.000 0.437 522 I N 1.976 122.656 120.570 0.184 0.000 2.607 522 I HA 0.568 4.738 4.170 -0.001 0.000 0.290 522 I C 0.458 176.704 176.117 0.214 0.000 1.129 522 I CA -0.433 60.949 61.300 0.137 0.000 1.042 522 I CB 2.209 40.275 38.000 0.109 0.000 1.242 522 I HN 0.758 nan 8.210 nan 0.000 0.421 523 G N 3.702 112.539 108.800 0.062 0.000 2.504 523 G HA2 0.717 4.676 3.960 -0.001 0.000 0.288 523 G HA3 0.717 4.676 3.960 -0.001 0.000 0.288 523 G C -0.530 174.471 174.900 0.167 0.000 1.182 523 G CA -0.394 44.729 45.100 0.038 0.000 0.894 523 G HN 0.835 nan 8.290 nan 0.000 0.521 524 A N 1.501 124.424 122.820 0.172 0.000 2.913 524 A HA 0.594 4.914 4.320 -0.001 0.000 0.284 524 A C -2.337 175.371 177.584 0.207 0.000 1.273 524 A CA -0.594 51.612 52.037 0.282 0.000 0.899 524 A CB 1.281 20.642 19.000 0.601 0.000 1.444 524 A HN 0.328 nan 8.150 nan 0.000 0.586 525 P HA 0.061 nan 4.420 nan 0.000 0.242 525 P C 1.347 178.783 177.300 0.226 0.000 1.197 525 P CA 1.597 64.819 63.100 0.204 0.000 0.765 525 P CB 0.341 32.153 31.700 0.187 0.000 0.936 526 G N -1.402 107.521 108.800 0.205 0.000 3.020 526 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.217 526 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.217 526 G C 0.565 175.639 174.900 0.291 0.000 1.144 526 G CA -0.067 45.166 45.100 0.223 0.000 0.760 526 G HN 0.106 nan 8.290 nan 0.000 0.548 527 E N 1.138 121.492 120.200 0.257 0.000 2.447 527 E HA 0.116 4.466 4.350 -0.001 0.000 0.259 527 E C 0.782 177.419 176.600 0.062 0.000 1.196 527 E CA 0.110 56.602 56.400 0.152 0.000 0.995 527 E CB 0.475 30.209 29.700 0.056 0.000 0.974 527 E HN 0.514 nan 8.360 nan 0.000 0.465 528 E N 0.061 120.049 120.200 -0.353 0.000 3.675 528 E HA -0.291 4.059 4.350 -0.001 0.000 0.252 528 E C -0.089 176.656 176.600 0.242 0.000 1.502 528 E CA 1.522 57.866 56.400 -0.093 0.000 2.293 528 E CB -0.616 29.052 29.700 -0.053 0.000 2.078 528 E HN 0.702 nan 8.360 nan 0.000 0.461 529 E N 2.291 122.591 120.200 0.167 0.000 1.972 529 E HA 0.097 4.446 4.350 -0.001 0.000 0.292 529 E C 0.283 176.990 176.600 0.178 0.000 1.193 529 E CA 0.521 57.026 56.400 0.176 0.000 1.228 529 E CB 0.088 29.860 29.700 0.121 0.000 1.167 529 E HN 0.570 nan 8.360 nan 0.000 0.479 530 N N 1.319 120.154 118.700 0.225 0.000 2.946 530 N HA -0.215 4.524 4.740 -0.001 0.000 0.228 530 N C -0.461 175.189 175.510 0.232 0.000 0.873 530 N CA 1.136 54.324 53.050 0.230 0.000 1.029 530 N CB -0.557 38.061 38.487 0.218 0.000 1.047 530 N HN 0.405 nan 8.380 nan 0.000 0.612 531 R N 0.536 121.142 120.500 0.177 0.000 2.905 531 R HA 0.341 4.681 4.340 -0.001 0.000 0.273 531 R C 1.268 177.694 176.300 0.211 0.000 1.033 531 R CA 0.758 56.947 56.100 0.149 0.000 1.182 531 R CB -0.622 29.723 30.300 0.074 0.000 1.097 531 R HN 0.311 nan 8.270 nan 0.000 0.504 532 G N -1.087 107.869 108.800 0.261 0.000 2.557 532 G HA2 0.566 4.526 3.960 -0.001 0.000 0.292 532 G HA3 0.566 4.526 3.960 -0.001 0.000 0.292 532 G C -1.048 174.106 174.900 0.424 0.000 1.237 532 G CA 0.122 45.511 45.100 0.481 0.000 0.978 532 G HN 0.678 nan 8.290 nan 0.000 0.498 533 A N -1.764 121.331 122.820 0.459 0.000 2.590 533 A HA 0.650 4.970 4.320 -0.001 0.000 0.294 533 A C -1.371 176.240 177.584 0.044 0.000 1.046 533 A CA -0.367 51.811 52.037 0.234 0.000 0.684 533 A CB 1.200 20.209 19.000 0.014 0.000 1.279 533 A HN 1.494 nan 8.150 nan 0.000 0.415 534 V N 0.347 120.182 119.914 -0.131 0.000 3.114 534 V HA 0.734 4.853 4.120 -0.001 0.000 0.308 534 V C -1.453 174.402 176.094 -0.399 0.000 1.168 534 V CA -0.634 61.584 62.300 -0.136 0.000 1.015 534 V CB 2.086 33.904 31.823 -0.008 0.000 1.050 534 V HN 0.918 nan 8.190 nan 0.000 0.433 535 Y N 1.827 122.233 120.300 0.177 0.000 2.576 535 Y HA 0.835 5.385 4.550 -0.001 0.000 0.346 535 Y C -0.684 175.357 175.900 0.235 0.000 1.018 535 Y CA -0.969 57.230 58.100 0.165 0.000 1.050 535 Y CB 2.094 40.762 38.460 0.346 0.000 1.280 535 Y HN 0.508 nan 8.280 nan 0.000 0.474 536 L N 2.264 123.663 121.223 0.294 0.000 2.406 536 L HA 0.693 5.033 4.340 -0.001 0.000 0.272 536 L C -2.033 174.835 176.870 -0.004 0.000 0.980 536 L CA -0.618 54.331 54.840 0.181 0.000 0.831 536 L CB 0.632 42.719 42.059 0.047 0.000 1.253 536 L HN 0.456 nan 8.230 nan 0.000 0.406 537 F N 2.780 122.661 119.950 -0.114 0.000 2.639 537 F HA 0.697 5.223 4.527 -0.001 0.000 0.339 537 F C 0.124 175.677 175.800 -0.410 0.000 1.071 537 F CA -0.653 57.259 58.000 -0.146 0.000 0.994 537 F CB 1.566 40.593 39.000 0.044 0.000 1.341 537 F HN 0.401 nan 8.300 nan 0.000 0.498 538 H N -0.994 118.258 119.070 0.304 0.000 2.895 538 H HA 0.492 5.047 4.556 -0.001 0.000 0.373 538 H C -0.019 175.413 175.328 0.173 0.000 1.174 538 H CA -0.984 55.181 56.048 0.195 0.000 1.144 538 H CB 1.601 31.456 29.762 0.155 0.000 1.793 538 H HN 0.776 nan 8.280 nan 0.000 0.551 539 G N 0.031 108.983 108.800 0.253 0.000 2.588 539 G HA2 0.396 4.356 3.960 -0.001 0.000 0.278 539 G HA3 0.396 4.356 3.960 -0.001 0.000 0.278 539 G C 0.387 175.381 174.900 0.156 0.000 1.307 539 G CA -0.008 45.196 45.100 0.174 0.000 1.016 539 G HN 0.357 nan 8.290 nan 0.000 0.503 540 V N -1.233 118.751 119.914 0.117 0.000 4.771 540 V HA 0.417 4.537 4.120 -0.001 0.000 0.148 540 V C -0.056 176.087 176.094 0.081 0.000 1.138 540 V CA -0.012 62.346 62.300 0.096 0.000 1.282 540 V CB -0.200 31.676 31.823 0.088 0.000 1.742 540 V HN 0.407 nan 8.190 nan 0.000 0.563 541 L N 0.706 121.975 121.223 0.076 0.000 2.620 541 L HA 0.639 4.978 4.340 -0.001 0.000 0.261 541 L C 0.325 177.237 176.870 0.069 0.000 0.978 541 L CA 0.381 55.263 54.840 0.070 0.000 0.897 541 L CB 1.182 43.279 42.059 0.065 0.000 1.207 541 L HN 0.666 nan 8.230 nan 0.000 0.425 542 G N 4.404 113.245 108.800 0.069 0.000 2.514 542 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.265 542 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.265 542 G C -2.674 172.269 174.900 0.072 0.000 1.150 542 G CA -0.377 44.765 45.100 0.069 0.000 0.959 542 G HN 0.404 nan 8.290 nan 0.000 0.556 543 P HA 0.457 nan 4.420 nan 0.000 0.273 543 P C -0.351 176.990 177.300 0.068 0.000 1.428 543 P CA 1.038 64.177 63.100 0.064 0.000 0.995 543 P CB 0.332 32.070 31.700 0.063 0.000 1.286 544 S N 3.399 119.140 115.700 0.068 0.000 2.680 544 S HA 0.639 5.109 4.470 -0.001 0.000 0.284 544 S C -0.744 173.909 174.600 0.089 0.000 1.055 544 S CA -0.952 57.293 58.200 0.074 0.000 0.849 544 S CB 0.294 63.539 63.200 0.076 0.000 1.068 544 S HN 0.423 nan 8.310 nan 0.000 0.453 545 I N -1.550 119.080 120.570 0.100 0.000 3.264 545 I HA 0.886 5.056 4.170 -0.001 0.000 0.315 545 I C -0.617 175.609 176.117 0.182 0.000 1.154 545 I CA -0.858 60.530 61.300 0.146 0.000 0.962 545 I CB 2.032 40.110 38.000 0.130 0.000 1.265 545 I HN 0.682 nan 8.210 nan 0.000 0.463 546 S N 2.666 118.526 115.700 0.267 0.000 2.423 546 S HA 0.481 4.951 4.470 -0.001 0.000 0.317 546 S C -1.751 173.054 174.600 0.341 0.000 1.065 546 S CA -1.490 56.858 58.200 0.247 0.000 1.111 546 S CB 0.573 63.911 63.200 0.231 0.000 0.968 546 S HN 0.560 nan 8.310 nan 0.000 0.474 547 P HA -0.089 nan 4.420 nan 0.000 0.216 547 P C 0.056 177.493 177.300 0.228 0.000 1.157 547 P CA 0.953 64.226 63.100 0.287 0.000 0.880 547 P CB 0.016 31.783 31.700 0.112 0.000 0.791 548 S N 1.023 116.760 115.700 0.062 0.000 2.443 548 S HA 0.043 4.512 4.470 -0.001 0.000 0.284 548 S C 0.504 174.971 174.600 -0.222 0.000 1.206 548 S CA -0.335 57.807 58.200 -0.097 0.000 1.074 548 S CB -0.750 62.394 63.200 -0.094 0.000 0.963 548 S HN 0.300 nan 8.310 nan 0.000 0.501 549 H N 1.452 120.260 119.070 -0.437 0.000 2.607 549 H HA 0.292 4.848 4.556 -0.001 0.000 0.367 549 H C 0.973 176.194 175.328 -0.179 0.000 1.181 549 H CA -0.149 55.525 56.048 -0.624 0.000 1.402 549 H CB 0.529 29.774 29.762 -0.861 0.000 1.474 549 H HN 0.541 nan 8.280 nan 0.000 0.596 550 S N 0.727 116.451 115.700 0.041 0.000 2.470 550 S HA 0.027 4.497 4.470 -0.001 0.000 0.222 550 S C 0.722 175.432 174.600 0.183 0.000 1.024 550 S CA -0.045 58.254 58.200 0.166 0.000 0.931 550 S CB 0.387 63.905 63.200 0.531 0.000 0.791 550 S HN 0.746 nan 8.310 nan 0.000 0.513 551 Q N 0.211 120.151 119.800 0.232 0.000 2.456 551 Q HA 0.565 4.905 4.340 -0.001 0.000 0.283 551 Q C -1.318 174.818 176.000 0.227 0.000 1.084 551 Q CA -0.817 55.112 55.803 0.210 0.000 0.801 551 Q CB 1.822 30.654 28.738 0.157 0.000 1.434 551 Q HN 0.302 nan 8.270 nan 0.000 0.419 552 R N 3.851 124.418 120.500 0.111 0.000 2.627 552 R HA 0.325 4.664 4.340 -0.001 0.000 0.251 552 R C -1.139 175.101 176.300 -0.100 0.000 1.524 552 R CA -0.166 55.885 56.100 -0.081 0.000 1.606 552 R CB 0.207 30.495 30.300 -0.019 0.000 1.396 552 R HN 0.633 nan 8.270 nan 0.000 0.724 553 I N 2.580 123.121 120.570 -0.047 0.000 2.680 553 I HA 0.042 4.212 4.170 -0.001 0.000 0.286 553 I C 0.781 176.894 176.117 -0.007 0.000 1.144 553 I CA 0.303 61.597 61.300 -0.010 0.000 1.370 553 I CB 0.702 38.730 38.000 0.047 0.000 1.420 553 I HN 0.422 nan 8.210 nan 0.000 0.540 554 A N 4.952 127.740 122.820 -0.054 0.000 2.452 554 A HA 0.699 5.018 4.320 -0.001 0.000 0.285 554 A C 1.253 178.736 177.584 -0.167 0.000 1.209 554 A CA -0.164 51.849 52.037 -0.041 0.000 0.940 554 A CB 0.289 19.248 19.000 -0.068 0.000 1.440 554 A HN 0.719 nan 8.150 nan 0.000 0.480 555 G N -0.477 108.231 108.800 -0.153 0.000 3.061 555 G HA2 0.242 4.202 3.960 -0.001 0.000 0.208 555 G HA3 0.242 4.202 3.960 -0.001 0.000 0.208 555 G C 0.505 175.305 174.900 -0.166 0.000 1.175 555 G CA 0.891 45.836 45.100 -0.258 0.000 0.812 555 G HN 0.503 nan 8.290 nan 0.000 0.523 556 S N 0.130 115.756 115.700 -0.124 0.000 2.597 556 S HA 0.133 4.603 4.470 -0.001 0.000 0.224 556 S C 0.945 175.491 174.600 -0.090 0.000 0.955 556 S CA -0.129 58.019 58.200 -0.086 0.000 0.933 556 S CB 0.336 63.501 63.200 -0.058 0.000 0.788 556 S HN 0.224 nan 8.310 nan 0.000 0.488 557 Q N 1.491 121.216 119.800 -0.126 0.000 3.135 557 Q HA 0.329 4.669 4.340 -0.001 0.000 0.344 557 Q C 0.173 176.112 176.000 -0.102 0.000 1.321 557 Q CA -0.199 55.541 55.803 -0.105 0.000 1.050 557 Q CB -0.541 28.126 28.738 -0.118 0.000 1.498 557 Q HN 0.477 nan 8.270 nan 0.000 0.503 558 L N 0.233 121.408 121.223 -0.081 0.000 3.948 558 L HA -0.264 4.075 4.340 -0.001 0.000 0.453 558 L C 0.369 177.183 176.870 -0.093 0.000 1.137 558 L CA 0.440 55.236 54.840 -0.074 0.000 0.881 558 L CB -1.535 40.490 42.059 -0.057 0.000 1.797 558 L HN 0.241 nan 8.230 nan 0.000 0.957 559 S N -0.702 114.921 115.700 -0.128 0.000 2.437 559 S HA 0.216 4.685 4.470 -0.001 0.000 0.304 559 S C 1.513 176.053 174.600 -0.099 0.000 1.167 559 S CA 0.238 58.353 58.200 -0.142 0.000 1.106 559 S CB 1.088 64.152 63.200 -0.226 0.000 1.099 559 S HN 0.389 nan 8.310 nan 0.000 0.524 560 S N 5.228 120.883 115.700 -0.076 0.000 2.369 560 S HA -0.081 4.388 4.470 -0.001 0.000 0.225 560 S C 0.665 175.234 174.600 -0.051 0.000 1.043 560 S CA 1.254 59.420 58.200 -0.056 0.000 1.074 560 S CB -0.145 63.026 63.200 -0.048 0.000 0.962 560 S HN 0.837 nan 8.310 nan 0.000 0.433 561 R N -0.092 120.376 120.500 -0.053 0.000 3.033 561 R HA 0.355 4.694 4.340 -0.001 0.000 0.236 561 R C -1.756 174.514 176.300 -0.050 0.000 1.774 561 R CA -0.001 56.073 56.100 -0.043 0.000 1.401 561 R CB 0.447 30.729 30.300 -0.031 0.000 1.539 561 R HN 0.181 nan 8.270 nan 0.000 0.618 562 L N 1.693 122.879 121.223 -0.062 0.000 2.362 562 L HA 0.355 4.695 4.340 -0.001 0.000 0.275 562 L C 1.133 177.967 176.870 -0.059 0.000 0.998 562 L CA -0.460 54.340 54.840 -0.067 0.000 0.820 562 L CB 2.486 44.512 42.059 -0.054 0.000 1.270 562 L HN 0.486 nan 8.230 nan 0.000 0.415 563 Q N 2.866 122.596 119.800 -0.117 0.000 1.890 563 Q HA -0.082 4.257 4.340 -0.001 0.000 0.208 563 Q C -0.719 175.315 176.000 0.058 0.000 0.982 563 Q CA 1.639 57.407 55.803 -0.058 0.000 0.856 563 Q CB 0.116 28.775 28.738 -0.131 0.000 0.915 563 Q HN 0.599 nan 8.270 nan 0.000 0.427 564 Y N -0.653 119.726 120.300 0.132 0.000 2.328 564 Y HA 0.530 5.079 4.550 -0.001 0.000 0.336 564 Y C -0.949 175.084 175.900 0.221 0.000 0.960 564 Y CA -1.717 56.481 58.100 0.164 0.000 1.134 564 Y CB 0.447 38.977 38.460 0.116 0.000 1.166 564 Y HN 0.128 nan 8.280 nan 0.000 0.464 565 F N 2.160 122.198 119.950 0.147 0.000 2.563 565 F HA 0.822 5.349 4.527 -0.001 0.000 0.316 565 F C 0.507 176.371 175.800 0.106 0.000 1.076 565 F CA -0.491 57.565 58.000 0.094 0.000 0.921 565 F CB 2.354 41.378 39.000 0.040 0.000 1.209 565 F HN 0.878 nan 8.300 nan 0.000 0.462 566 G N 2.937 111.350 108.800 -0.644 0.000 2.179 566 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.220 566 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.220 566 G C 0.621 175.396 174.900 -0.208 0.000 0.990 566 G CA 0.337 45.066 45.100 -0.618 0.000 0.646 566 G HN 0.789 nan 8.290 nan 0.000 0.517 567 Q N -0.082 119.675 119.800 -0.070 0.000 2.047 567 Q HA 0.112 4.451 4.340 -0.001 0.000 0.211 567 Q C 1.605 177.578 176.000 -0.045 0.000 1.005 567 Q CA 2.137 57.936 55.803 -0.008 0.000 0.866 567 Q CB -0.125 28.649 28.738 0.059 0.000 0.938 567 Q HN 1.332 nan 8.270 nan 0.000 0.414 568 A N -0.557 122.229 122.820 -0.056 0.000 2.479 568 A HA 0.742 5.061 4.320 -0.001 0.000 0.296 568 A C -1.606 175.940 177.584 -0.063 0.000 1.121 568 A CA -0.793 51.211 52.037 -0.055 0.000 0.743 568 A CB 1.538 20.511 19.000 -0.046 0.000 1.323 568 A HN 0.253 nan 8.150 nan 0.000 0.415 569 L N -2.776 118.420 121.223 -0.044 0.000 2.700 569 L HA 0.805 5.144 4.340 -0.001 0.000 0.255 569 L C -0.833 176.033 176.870 -0.006 0.000 0.933 569 L CA -0.358 54.465 54.840 -0.028 0.000 0.920 569 L CB 1.285 43.314 42.059 -0.049 0.000 1.472 569 L HN 0.482 nan 8.230 nan 0.000 0.426 570 S N 0.170 115.877 115.700 0.013 0.000 2.572 570 S HA 0.959 5.429 4.470 -0.001 0.000 0.274 570 S C -0.306 174.315 174.600 0.034 0.000 1.150 570 S CA -0.132 58.083 58.200 0.023 0.000 0.944 570 S CB 1.888 65.106 63.200 0.030 0.000 1.071 570 S HN 1.303 nan 8.310 nan 0.000 0.479 571 G N -0.106 108.713 108.800 0.031 0.000 2.766 571 G HA2 0.710 4.669 3.960 -0.001 0.000 0.288 571 G HA3 0.710 4.669 3.960 -0.001 0.000 0.288 571 G C 0.364 175.280 174.900 0.026 0.000 1.408 571 G CA -0.094 45.026 45.100 0.032 0.000 0.852 571 G HN 1.497 nan 8.290 nan 0.000 0.487 572 G N -1.572 107.242 108.800 0.022 0.000 2.367 572 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.181 572 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.181 572 G C 0.062 174.967 174.900 0.009 0.000 1.000 572 G CA 0.172 45.282 45.100 0.016 0.000 0.693 572 G HN 0.729 nan 8.290 nan 0.000 0.480 573 Q N 0.865 120.670 119.800 0.010 0.000 2.274 573 Q HA 0.562 4.902 4.340 -0.001 0.000 0.260 573 Q C -0.907 175.089 176.000 -0.006 0.000 0.974 573 Q CA -0.568 55.236 55.803 0.002 0.000 0.876 573 Q CB 2.050 30.793 28.738 0.007 0.000 1.297 573 Q HN 0.242 nan 8.270 nan 0.000 0.446 574 D N 2.052 122.441 120.400 -0.018 0.000 2.365 574 D HA 0.162 4.801 4.640 -0.001 0.000 0.237 574 D C -0.117 176.157 176.300 -0.044 0.000 1.190 574 D CA -0.354 53.625 54.000 -0.036 0.000 0.867 574 D CB 0.585 41.363 40.800 -0.036 0.000 1.050 574 D HN 0.487 nan 8.370 nan 0.000 0.491 575 L N 1.967 123.154 121.223 -0.061 0.000 2.577 575 L HA 0.299 4.639 4.340 -0.001 0.000 0.225 575 L C 1.850 178.635 176.870 -0.141 0.000 1.053 575 L CA 0.610 55.414 54.840 -0.059 0.000 0.866 575 L CB -1.092 40.966 42.059 -0.002 0.000 1.132 575 L HN 0.348 nan 8.230 nan 0.000 0.486 576 T N -3.701 110.686 114.554 -0.278 0.000 3.113 576 T HA 0.077 4.427 4.350 -0.001 0.000 0.256 576 T C 1.068 175.560 174.700 -0.346 0.000 1.131 576 T CA 0.771 62.498 62.100 -0.621 0.000 1.074 576 T CB -0.382 67.876 68.868 -1.016 0.000 0.944 576 T HN 0.544 nan 8.240 nan 0.000 0.516 577 Q N 0.428 120.119 119.800 -0.182 0.000 2.305 577 Q HA -0.181 4.158 4.340 -0.001 0.000 0.203 577 Q C -0.828 175.124 176.000 -0.081 0.000 0.663 577 Q CA 1.135 56.880 55.803 -0.096 0.000 1.389 577 Q CB -1.849 26.856 28.738 -0.056 0.000 1.566 577 Q HN 0.925 nan 8.270 nan 0.000 0.755 578 D N -0.467 119.863 120.400 -0.117 0.000 2.382 578 D HA 0.265 4.905 4.640 -0.001 0.000 0.245 578 D C 1.386 177.648 176.300 -0.063 0.000 1.120 578 D CA 0.572 54.527 54.000 -0.074 0.000 0.890 578 D CB 0.547 41.301 40.800 -0.077 0.000 1.201 578 D HN 0.091 nan 8.370 nan 0.000 0.433 579 G N 1.502 110.279 108.800 -0.038 0.000 2.586 579 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.218 579 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.218 579 G C 0.618 175.500 174.900 -0.030 0.000 1.216 579 G CA 0.793 45.876 45.100 -0.030 0.000 0.786 579 G HN 0.511 nan 8.290 nan 0.000 0.583 580 L N 0.605 121.812 121.223 -0.026 0.000 2.475 580 L HA 0.459 4.798 4.340 -0.001 0.000 0.253 580 L C 1.101 177.958 176.870 -0.023 0.000 1.198 580 L CA -0.817 54.012 54.840 -0.017 0.000 0.814 580 L CB 1.191 43.245 42.059 -0.009 0.000 1.134 580 L HN 0.348 nan 8.230 nan 0.000 0.478 581 V N -0.407 119.500 119.914 -0.012 0.000 3.484 581 V HA 0.264 4.384 4.120 -0.001 0.000 0.304 581 V C -0.282 175.804 176.094 -0.014 0.000 1.116 581 V CA -0.438 61.856 62.300 -0.010 0.000 1.187 581 V CB 0.257 32.081 31.823 0.002 0.000 1.062 581 V HN 0.775 nan 8.190 nan 0.000 0.489 582 D N 0.464 120.859 120.400 -0.007 0.000 2.523 582 D HA 0.718 5.357 4.640 -0.001 0.000 0.236 582 D C -1.146 175.166 176.300 0.021 0.000 1.094 582 D CA -0.336 53.663 54.000 -0.001 0.000 0.942 582 D CB 2.255 43.047 40.800 -0.014 0.000 1.447 582 D HN 0.685 nan 8.370 nan 0.000 0.479 583 L N 0.499 121.742 121.223 0.034 0.000 2.381 583 L HA 0.766 5.105 4.340 -0.001 0.000 0.268 583 L C -1.454 175.456 176.870 0.067 0.000 0.997 583 L CA -0.636 54.233 54.840 0.047 0.000 0.818 583 L CB 1.768 43.855 42.059 0.047 0.000 1.310 583 L HN 0.461 nan 8.230 nan 0.000 0.416 584 A N 4.707 127.569 122.820 0.069 0.000 2.311 584 A HA 0.760 5.079 4.320 -0.001 0.000 0.306 584 A C -1.473 176.149 177.584 0.064 0.000 1.189 584 A CA -0.490 51.600 52.037 0.089 0.000 0.791 584 A CB 1.188 20.248 19.000 0.100 0.000 1.172 584 A HN 0.499 nan 8.150 nan 0.000 0.481 585 V N 2.739 122.701 119.914 0.081 0.000 2.407 585 V HA 0.597 4.717 4.120 -0.001 0.000 0.291 585 V C 0.915 177.049 176.094 0.066 0.000 1.018 585 V CA -0.298 62.017 62.300 0.025 0.000 0.842 585 V CB 1.497 33.311 31.823 -0.015 0.000 0.996 585 V HN 1.091 nan 8.190 nan 0.000 0.426 586 G N 3.323 112.132 108.800 0.015 0.000 2.467 586 G HA2 0.670 4.629 3.960 -0.001 0.000 0.257 586 G HA3 0.670 4.629 3.960 -0.001 0.000 0.257 586 G C -0.234 174.711 174.900 0.075 0.000 1.227 586 G CA 0.378 45.501 45.100 0.040 0.000 0.835 586 G HN 1.166 nan 8.290 nan 0.000 0.556 587 A N 1.993 124.896 122.820 0.139 0.000 2.566 587 A HA 0.755 5.074 4.320 -0.001 0.000 0.292 587 A C 0.099 177.753 177.584 0.117 0.000 1.112 587 A CA -0.907 51.235 52.037 0.175 0.000 0.707 587 A CB 1.164 20.338 19.000 0.291 0.000 1.302 587 A HN 0.786 nan 8.150 nan 0.000 0.409 588 R N 0.285 120.795 120.500 0.017 0.000 2.446 588 R HA 0.369 4.708 4.340 -0.001 0.000 0.325 588 R C 1.241 177.565 176.300 0.040 0.000 0.997 588 R CA 1.914 57.992 56.100 -0.037 0.000 1.010 588 R CB -0.474 29.613 30.300 -0.354 0.000 0.946 588 R HN 1.944 nan 8.270 nan 0.000 0.422 589 G N 2.846 111.744 108.800 0.163 0.000 2.490 589 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.214 589 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.214 589 G C -0.302 174.780 174.900 0.303 0.000 1.151 589 G CA 0.315 45.523 45.100 0.180 0.000 0.684 589 G HN 0.685 nan 8.290 nan 0.000 0.518 590 Q N -0.603 119.364 119.800 0.278 0.000 2.484 590 Q HA 0.801 5.140 4.340 -0.001 0.000 0.285 590 Q C -1.551 174.645 176.000 0.327 0.000 1.097 590 Q CA -0.799 55.203 55.803 0.332 0.000 0.802 590 Q CB 2.906 31.738 28.738 0.158 0.000 1.444 590 Q HN 1.036 nan 8.270 nan 0.000 0.429 591 V N 1.925 122.057 119.914 0.362 0.000 2.709 591 V HA 0.551 4.670 4.120 -0.001 0.000 0.308 591 V C -1.695 174.552 176.094 0.254 0.000 1.062 591 V CA -0.665 61.800 62.300 0.274 0.000 0.901 591 V CB 1.830 33.791 31.823 0.230 0.000 1.003 591 V HN 0.766 nan 8.190 nan 0.000 0.425 592 L N 6.282 127.628 121.223 0.206 0.000 2.334 592 L HA 0.656 4.995 4.340 -0.001 0.000 0.270 592 L C -0.468 176.490 176.870 0.146 0.000 1.018 592 L CA -0.295 54.632 54.840 0.145 0.000 0.811 592 L CB 1.812 43.952 42.059 0.135 0.000 1.271 592 L HN 0.540 nan 8.230 nan 0.000 0.443 593 L N 2.924 124.207 121.223 0.099 0.000 2.343 593 L HA 0.476 4.815 4.340 -0.001 0.000 0.278 593 L C -1.362 175.549 176.870 0.069 0.000 0.996 593 L CA -0.590 54.310 54.840 0.100 0.000 0.831 593 L CB 1.571 43.701 42.059 0.119 0.000 1.232 593 L HN 0.311 nan 8.230 nan 0.000 0.413 594 L N 4.759 126.023 121.223 0.069 0.000 2.280 594 L HA 0.470 4.810 4.340 -0.001 0.000 0.287 594 L C 0.309 177.199 176.870 0.032 0.000 1.023 594 L CA -0.099 54.773 54.840 0.052 0.000 0.819 594 L CB 1.256 43.356 42.059 0.068 0.000 1.212 594 L HN 0.460 nan 8.230 nan 0.000 0.420 595 R N 0.668 121.177 120.500 0.016 0.000 2.637 595 R HA 0.565 4.905 4.340 -0.001 0.000 0.269 595 R C -0.071 176.232 176.300 0.004 0.000 1.089 595 R CA -0.535 55.563 56.100 -0.003 0.000 1.177 595 R CB 0.511 30.797 30.300 -0.023 0.000 1.091 595 R HN 0.626 nan 8.270 nan 0.000 0.540 596 T N 0.006 114.558 114.554 -0.004 0.000 2.743 596 T HA 0.328 4.677 4.350 -0.001 0.000 0.292 596 T C 0.148 174.850 174.700 0.002 0.000 0.972 596 T CA -1.117 60.980 62.100 -0.004 0.000 0.967 596 T CB 0.944 69.805 68.868 -0.012 0.000 0.926 596 T HN 0.225 nan 8.240 nan 0.000 0.459 597 R N 3.396 123.904 120.500 0.014 0.000 2.438 597 R HA 0.306 4.645 4.340 -0.001 0.000 0.287 597 R C -2.703 173.620 176.300 0.038 0.000 1.077 597 R CA -2.515 53.603 56.100 0.030 0.000 1.034 597 R CB -0.101 30.227 30.300 0.047 0.000 0.993 597 R HN 0.472 nan 8.270 nan 0.000 0.459 598 P HA -0.039 nan 4.420 nan 0.000 0.267 598 P C -0.306 177.051 177.300 0.095 0.000 1.209 598 P CA 0.016 63.146 63.100 0.050 0.000 0.763 598 P CB 0.463 32.181 31.700 0.030 0.000 0.816 599 V N 2.919 122.917 119.914 0.140 0.000 2.294 599 V HA 0.503 4.623 4.120 -0.001 0.000 0.272 599 V C -0.374 175.878 176.094 0.262 0.000 1.027 599 V CA -1.019 61.437 62.300 0.260 0.000 0.823 599 V CB 0.152 32.216 31.823 0.401 0.000 1.030 599 V HN 0.195 nan 8.190 nan 0.000 0.457 600 L N 3.586 124.908 121.223 0.165 0.000 2.334 600 L HA 1.020 5.359 4.340 -0.001 0.000 0.275 600 L C -0.373 176.622 176.870 0.208 0.000 1.036 600 L CA -1.074 53.770 54.840 0.006 0.000 0.807 600 L CB 0.900 42.917 42.059 -0.071 0.000 1.231 600 L HN 0.861 nan 8.230 nan 0.000 0.438 601 W N 1.232 122.567 121.300 0.058 0.000 2.882 601 W HA 0.888 5.547 4.660 -0.001 0.000 0.345 601 W C -1.606 174.929 176.519 0.027 0.000 1.125 601 W CA -1.458 55.931 57.345 0.073 0.000 1.167 601 W CB 1.140 30.647 29.460 0.078 0.000 1.431 601 W HN 0.542 nan 8.180 nan 0.000 0.543 602 V N 1.986 122.038 119.914 0.232 0.000 2.823 602 V HA 0.933 5.053 4.120 -0.001 0.000 0.312 602 V C -0.188 175.855 176.094 -0.084 0.000 1.072 602 V CA -0.597 61.680 62.300 -0.038 0.000 0.937 602 V CB 1.729 33.539 31.823 -0.022 0.000 1.013 602 V HN 1.077 nan 8.190 nan 0.000 0.430 603 G N 2.927 111.428 108.800 -0.498 0.000 2.410 603 G HA2 0.643 4.603 3.960 -0.001 0.000 0.330 603 G HA3 0.643 4.603 3.960 -0.001 0.000 0.330 603 G C -1.293 173.386 174.900 -0.367 0.000 1.142 603 G CA -0.388 44.410 45.100 -0.504 0.000 0.902 603 G HN 1.142 nan 8.290 nan 0.000 0.491 604 V N 0.715 120.497 119.914 -0.221 0.000 2.876 604 V HA 0.856 4.975 4.120 -0.001 0.000 0.312 604 V C -0.409 175.629 176.094 -0.094 0.000 1.085 604 V CA -0.421 61.784 62.300 -0.158 0.000 0.945 604 V CB 2.429 34.029 31.823 -0.371 0.000 1.017 604 V HN 1.289 nan 8.190 nan 0.000 0.428 605 S N 6.588 122.266 115.700 -0.036 0.000 2.532 605 S HA 0.821 5.290 4.470 -0.001 0.000 0.299 605 S C -0.927 173.632 174.600 -0.068 0.000 1.105 605 S CA -0.785 57.381 58.200 -0.057 0.000 1.018 605 S CB 1.653 64.817 63.200 -0.059 0.000 1.021 605 S HN 0.737 nan 8.310 nan 0.000 0.483 606 M N 2.526 122.078 119.600 -0.081 0.000 2.464 606 M HA 0.545 5.024 4.480 -0.001 0.000 0.308 606 M C -0.738 175.448 176.300 -0.189 0.000 1.127 606 M CA -0.297 54.925 55.300 -0.130 0.000 0.913 606 M CB 2.476 35.014 32.600 -0.103 0.000 1.689 606 M HN 0.922 nan 8.290 nan 0.000 0.445 607 Q N 1.651 121.264 119.800 -0.312 0.000 2.472 607 Q HA 0.518 4.857 4.340 -0.001 0.000 0.281 607 Q C -2.077 173.648 176.000 -0.459 0.000 0.997 607 Q CA -0.575 55.053 55.803 -0.291 0.000 0.828 607 Q CB 2.388 31.058 28.738 -0.114 0.000 1.443 607 Q HN 0.643 nan 8.270 nan 0.000 0.390 608 F N 3.437 123.406 119.950 0.032 0.000 2.325 608 F HA 0.385 4.912 4.527 -0.001 0.000 0.369 608 F C 1.153 176.958 175.800 0.007 0.000 1.095 608 F CA -0.548 57.466 58.000 0.023 0.000 1.082 608 F CB 0.565 39.568 39.000 0.005 0.000 1.289 608 F HN 0.630 nan 8.300 nan 0.000 0.462 609 I N 2.603 123.262 120.570 0.148 0.000 2.093 609 I HA -0.239 3.931 4.170 -0.001 0.000 0.239 609 I C -1.073 175.091 176.117 0.079 0.000 1.026 609 I CA 1.169 62.518 61.300 0.081 0.000 1.295 609 I CB -1.017 37.016 38.000 0.055 0.000 1.007 609 I HN 0.315 nan 8.210 nan 0.000 0.401 610 P HA 0.041 nan 4.420 nan 0.000 0.268 610 P C 0.271 177.605 177.300 0.056 0.000 1.282 610 P CA 0.334 63.460 63.100 0.044 0.000 0.880 610 P CB 0.807 32.515 31.700 0.012 0.000 0.971 611 A N 4.900 127.751 122.820 0.052 0.000 1.870 611 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 611 A C 1.112 178.706 177.584 0.016 0.000 1.286 611 A CA 1.859 53.933 52.037 0.061 0.000 0.682 611 A CB -0.813 18.211 19.000 0.040 0.000 0.844 611 A HN 0.615 nan 8.150 nan 0.000 0.460 612 E N -1.821 118.360 120.200 -0.032 0.000 2.639 612 E HA 0.702 5.052 4.350 -0.001 0.000 0.219 612 E C -0.883 175.626 176.600 -0.151 0.000 0.800 612 E CA -1.011 55.327 56.400 -0.103 0.000 1.002 612 E CB 0.724 30.394 29.700 -0.051 0.000 1.621 612 E HN 0.300 nan 8.360 nan 0.000 0.396 613 I N 1.149 121.607 120.570 -0.186 0.000 2.354 613 I HA 0.222 4.391 4.170 -0.001 0.000 0.292 613 I C -2.001 174.092 176.117 -0.040 0.000 0.989 613 I CA -2.403 58.810 61.300 -0.144 0.000 1.188 613 I CB 1.941 39.800 38.000 -0.235 0.000 1.342 613 I HN 0.370 nan 8.210 nan 0.000 0.457 614 P HA -0.015 nan 4.420 nan 0.000 0.242 614 P C 0.666 177.956 177.300 -0.016 0.000 1.197 614 P CA 0.306 63.395 63.100 -0.018 0.000 0.765 614 P CB 0.064 31.758 31.700 -0.010 0.000 0.936 615 R N -2.179 118.334 120.500 0.021 0.000 3.840 615 R HA -0.204 4.136 4.340 -0.001 0.000 0.464 615 R C 1.168 177.531 176.300 0.106 0.000 0.986 615 R CA 0.986 57.093 56.100 0.012 0.000 1.305 615 R CB -2.158 28.023 30.300 -0.199 0.000 1.950 615 R HN 0.109 nan 8.270 nan 0.000 0.526 616 S N -0.114 115.633 115.700 0.078 0.000 2.335 616 S HA 0.002 4.471 4.470 -0.001 0.000 0.216 616 S C 1.226 175.885 174.600 0.098 0.000 1.032 616 S CA 1.248 59.488 58.200 0.068 0.000 1.000 616 S CB 0.009 63.230 63.200 0.036 0.000 0.928 616 S HN 0.561 nan 8.310 nan 0.000 0.434 617 A N 0.494 123.372 122.820 0.096 0.000 3.197 617 A HA 0.466 4.786 4.320 -0.001 0.000 0.263 617 A C 0.532 178.198 177.584 0.137 0.000 1.524 617 A CA -0.424 51.665 52.037 0.086 0.000 1.176 617 A CB -0.750 18.276 19.000 0.043 0.000 1.096 617 A HN 0.431 nan 8.150 nan 0.000 0.655 618 F N -0.150 119.817 119.950 0.029 0.000 2.350 618 F HA 0.191 4.718 4.527 -0.001 0.000 0.253 618 F C 1.811 177.627 175.800 0.028 0.000 1.088 618 F CA 1.286 59.315 58.000 0.048 0.000 1.037 618 F CB 0.148 39.176 39.000 0.048 0.000 1.107 618 F HN 0.329 nan 8.300 nan 0.000 0.603 619 E N 0.283 120.601 120.200 0.196 0.000 2.371 619 E HA 0.048 4.397 4.350 -0.001 0.000 0.194 619 E C 1.020 177.632 176.600 0.019 0.000 1.012 619 E CA 0.583 56.998 56.400 0.025 0.000 0.860 619 E CB 0.036 29.877 29.700 0.235 0.000 0.811 619 E HN 0.628 nan 8.360 nan 0.000 0.502 620 c N -0.798 117.837 118.600 0.058 0.000 0.168 620 c HA -0.274 4.296 4.570 -0.001 0.000 0.017 620 c C 0.164 174.268 174.090 0.023 0.000 0.171 620 c CA 0.226 56.573 56.329 0.030 0.000 0.499 620 c CB -0.839 41.669 42.510 -0.002 0.000 3.212 620 c HN 0.628 nan 8.230 nan 0.000 1.118 621 R N 0.012 120.518 120.500 0.011 0.000 2.888 621 R HA 0.515 4.854 4.340 -0.001 0.000 0.277 621 R C -1.924 174.378 176.300 0.003 0.000 0.981 621 R CA -0.196 55.909 56.100 0.009 0.000 0.841 621 R CB 0.480 30.789 30.300 0.016 0.000 1.405 621 R HN 0.885 nan 8.270 nan 0.000 0.472 622 E N 1.604 121.806 120.200 0.003 0.000 3.386 622 E HA 0.142 4.492 4.350 -0.001 0.000 0.236 622 E C -1.550 175.052 176.600 0.003 0.000 1.227 622 E CA -0.257 56.144 56.400 0.001 0.000 0.970 622 E CB 1.562 31.261 29.700 -0.002 0.000 1.343 622 E HN 0.398 nan 8.360 nan 0.000 0.397 623 Q N 0.705 120.508 119.800 0.005 0.000 2.263 623 Q HA 0.567 4.906 4.340 -0.001 0.000 0.266 623 Q C -0.244 175.759 176.000 0.005 0.000 1.002 623 Q CA -0.787 55.019 55.803 0.004 0.000 0.790 623 Q CB 1.692 30.433 28.738 0.005 0.000 1.272 623 Q HN 0.056 nan 8.270 nan 0.000 0.435 624 V N 0.366 120.282 119.914 0.004 0.000 0.691 624 V HA -0.271 3.849 4.120 -0.001 0.000 0.092 624 V C 0.495 176.592 176.094 0.004 0.000 0.773 624 V CA 0.733 63.036 62.300 0.005 0.000 3.098 624 V CB -1.944 29.883 31.823 0.006 0.000 0.184 624 V HN 1.160 nan 8.190 nan 0.000 0.073 625 V N -1.850 118.067 119.914 0.005 0.000 3.336 625 V HA 0.844 4.963 4.120 -0.001 0.000 0.314 625 V C 0.316 176.412 176.094 0.004 0.000 1.088 625 V CA 0.011 62.314 62.300 0.005 0.000 1.033 625 V CB 1.651 33.478 31.823 0.006 0.000 1.181 625 V HN 1.094 nan 8.190 nan 0.000 0.449 626 S N 1.312 117.014 115.700 0.003 0.000 2.422 626 S HA 0.275 4.745 4.470 -0.001 0.000 0.283 626 S C -0.097 174.507 174.600 0.006 0.000 1.163 626 S CA -0.263 57.938 58.200 0.003 0.000 1.054 626 S CB -0.304 62.896 63.200 0.000 0.000 0.967 626 S HN 0.783 nan 8.310 nan 0.000 0.499 627 E N 3.054 123.259 120.200 0.008 0.000 1.996 627 E HA 0.064 4.413 4.350 -0.001 0.000 0.280 627 E C -0.313 176.292 176.600 0.008 0.000 1.092 627 E CA -0.174 56.232 56.400 0.009 0.000 0.862 627 E CB 0.472 30.179 29.700 0.012 0.000 1.066 627 E HN 0.576 nan 8.360 nan 0.000 0.396 628 Q N 2.120 121.924 119.800 0.006 0.000 2.323 628 Q HA 0.100 4.440 4.340 -0.001 0.000 0.257 628 Q C -0.116 175.886 176.000 0.004 0.000 1.022 628 Q CA -0.039 55.766 55.803 0.003 0.000 0.919 628 Q CB 0.836 29.575 28.738 0.001 0.000 1.220 628 Q HN 0.356 nan 8.270 nan 0.000 0.427 629 T N 2.412 116.967 114.554 0.001 0.000 2.939 629 T HA 0.026 4.376 4.350 -0.001 0.000 0.319 629 T C -0.298 174.399 174.700 -0.005 0.000 1.082 629 T CA 0.088 62.187 62.100 -0.001 0.000 1.133 629 T CB 0.216 69.080 68.868 -0.006 0.000 1.019 629 T HN 0.291 nan 8.240 nan 0.000 0.548 630 L N 5.708 126.933 121.223 0.003 0.000 2.301 630 L HA 0.496 4.835 4.340 -0.001 0.000 0.278 630 L C -0.635 176.244 176.870 0.015 0.000 1.022 630 L CA -0.323 54.525 54.840 0.013 0.000 0.854 630 L CB 0.671 42.745 42.059 0.024 0.000 1.226 630 L HN 0.388 nan 8.230 nan 0.000 0.429 631 V N 4.544 124.464 119.914 0.011 0.000 2.567 631 V HA 0.402 4.521 4.120 -0.001 0.000 0.289 631 V C 0.132 176.283 176.094 0.095 0.000 1.049 631 V CA -0.531 61.785 62.300 0.027 0.000 0.969 631 V CB 1.527 33.332 31.823 -0.031 0.000 0.995 631 V HN 0.685 nan 8.190 nan 0.000 0.471 632 Q N 1.702 121.578 119.800 0.127 0.000 2.312 632 Q HA 0.527 4.866 4.340 -0.001 0.000 0.263 632 Q C -0.733 175.411 176.000 0.240 0.000 0.995 632 Q CA -0.276 55.623 55.803 0.161 0.000 0.853 632 Q CB 2.110 30.905 28.738 0.095 0.000 1.300 632 Q HN 0.720 nan 8.270 nan 0.000 0.448 633 S N 2.670 118.528 115.700 0.263 0.000 2.659 633 S HA 0.308 4.778 4.470 -0.001 0.000 0.312 633 S C -1.111 173.560 174.600 0.119 0.000 1.114 633 S CA -0.699 57.617 58.200 0.193 0.000 1.063 633 S CB 0.568 63.965 63.200 0.328 0.000 0.996 633 S HN 0.591 nan 8.310 nan 0.000 0.478 634 N N 5.263 123.955 118.700 -0.013 0.000 2.424 634 N HA 0.471 5.211 4.740 -0.001 0.000 0.271 634 N C -1.039 174.447 175.510 -0.039 0.000 0.985 634 N CA -0.331 52.703 53.050 -0.026 0.000 0.921 634 N CB 0.637 39.087 38.487 -0.061 0.000 1.149 634 N HN 0.673 nan 8.380 nan 0.000 0.492 635 I N 1.897 122.486 120.570 0.032 0.000 2.603 635 I HA 0.465 4.634 4.170 -0.001 0.000 0.300 635 I C -0.354 175.782 176.117 0.032 0.000 1.017 635 I CA -0.808 60.514 61.300 0.036 0.000 1.098 635 I CB 1.867 39.934 38.000 0.111 0.000 1.279 635 I HN 0.323 nan 8.210 nan 0.000 0.437 636 c N 5.553 124.161 118.600 0.013 0.000 2.712 636 c HA 0.723 5.292 4.570 -0.001 0.000 0.308 636 c C -0.437 173.700 174.090 0.079 0.000 1.201 636 c CA -0.792 55.554 56.329 0.030 0.000 1.554 636 c CB 1.626 44.116 42.510 -0.034 0.000 2.117 636 c HN 0.563 nan 8.230 nan 0.000 0.480 637 L N 2.976 124.278 121.223 0.132 0.000 2.438 637 L HA 0.624 4.964 4.340 -0.001 0.000 0.270 637 L C -1.147 175.840 176.870 0.196 0.000 0.972 637 L CA -0.485 54.419 54.840 0.106 0.000 0.831 637 L CB 1.347 43.383 42.059 -0.037 0.000 1.273 637 L HN 0.887 nan 8.230 nan 0.000 0.405 638 Y N 2.669 122.934 120.300 -0.058 0.000 2.479 638 Y HA 0.788 5.337 4.550 -0.001 0.000 0.338 638 Y C -0.899 174.974 175.900 -0.045 0.000 1.055 638 Y CA -1.365 56.711 58.100 -0.039 0.000 1.023 638 Y CB 1.304 39.743 38.460 -0.035 0.000 1.287 638 Y HN 0.411 nan 8.280 nan 0.000 0.447 639 I N 1.474 121.962 120.570 -0.138 0.000 2.412 639 I HA 0.527 4.697 4.170 -0.001 0.000 0.296 639 I C -0.564 175.444 176.117 -0.182 0.000 0.987 639 I CA -0.583 60.575 61.300 -0.237 0.000 1.180 639 I CB 2.100 40.003 38.000 -0.161 0.000 1.340 639 I HN 0.897 nan 8.210 nan 0.000 0.455 640 D N 3.638 123.881 120.400 -0.260 0.000 2.403 640 D HA 0.018 4.657 4.640 -0.001 0.000 0.280 640 D C 0.358 176.544 176.300 -0.191 0.000 1.091 640 D CA 0.001 53.914 54.000 -0.145 0.000 0.884 640 D CB 0.434 41.191 40.800 -0.071 0.000 1.427 640 D HN 0.514 nan 8.370 nan 0.000 0.504 641 K N 1.345 121.515 120.400 -0.384 0.000 2.268 641 K HA 0.260 4.579 4.320 -0.001 0.000 0.276 641 K C 0.916 177.230 176.600 -0.477 0.000 1.080 641 K CA -0.384 55.648 56.287 -0.424 0.000 0.910 641 K CB 0.755 32.896 32.500 -0.600 0.000 1.163 641 K HN 0.057 nan 8.250 nan 0.000 0.465 642 R N 1.804 122.158 120.500 -0.244 0.000 2.555 642 R HA 0.016 4.355 4.340 -0.001 0.000 0.312 642 R C 0.784 177.024 176.300 -0.101 0.000 0.938 642 R CA 0.583 56.576 56.100 -0.177 0.000 1.112 642 R CB -0.086 30.138 30.300 -0.126 0.000 1.535 642 R HN 0.504 nan 8.270 nan 0.000 0.525 643 S N 2.748 118.405 115.700 -0.071 0.000 2.365 643 S HA -0.298 4.172 4.470 -0.001 0.000 0.225 643 S C 1.921 176.509 174.600 -0.020 0.000 1.039 643 S CA 1.613 59.795 58.200 -0.029 0.000 1.033 643 S CB -0.349 62.849 63.200 -0.003 0.000 0.887 643 S HN 0.625 nan 8.310 nan 0.000 0.447 644 K N 1.777 122.167 120.400 -0.016 0.000 2.001 644 K HA -0.020 4.300 4.320 -0.001 0.000 0.208 644 K C 1.653 178.244 176.600 -0.016 0.000 1.048 644 K CA 1.453 57.737 56.287 -0.005 0.000 0.932 644 K CB -0.620 31.887 32.500 0.012 0.000 0.715 644 K HN 0.255 nan 8.250 nan 0.000 0.437 645 N N 1.151 119.834 118.700 -0.029 0.000 2.396 645 N HA 0.062 4.802 4.740 -0.001 0.000 0.180 645 N C 0.415 175.908 175.510 -0.029 0.000 1.028 645 N CA 0.712 53.744 53.050 -0.029 0.000 0.893 645 N CB -0.441 38.023 38.487 -0.039 0.000 0.967 645 N HN 0.226 nan 8.380 nan 0.000 0.440 646 L N -1.043 120.161 121.223 -0.031 0.000 0.598 646 L HA -0.280 4.060 4.340 -0.001 0.000 0.356 646 L C 0.187 177.041 176.870 -0.027 0.000 1.008 646 L CA -0.142 54.682 54.840 -0.026 0.000 1.223 646 L CB -0.557 41.491 42.059 -0.018 0.000 0.045 646 L HN 0.064 nan 8.230 nan 0.000 0.093 647 L N 0.154 121.364 121.223 -0.022 0.000 2.456 647 L HA 0.442 4.782 4.340 -0.001 0.000 0.266 647 L C 1.222 178.081 176.870 -0.019 0.000 1.258 647 L CA 1.050 55.878 54.840 -0.020 0.000 0.823 647 L CB -0.142 41.908 42.059 -0.015 0.000 1.100 647 L HN 0.951 nan 8.230 nan 0.000 0.531 648 G N -0.032 108.758 108.800 -0.017 0.000 2.757 648 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.638 648 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.638 648 G C -0.366 174.523 174.900 -0.018 0.000 1.344 648 G CA -0.517 44.574 45.100 -0.015 0.000 0.855 648 G HN 0.680 nan 8.290 nan 0.000 0.537 649 S N -0.058 115.632 115.700 -0.018 0.000 2.574 649 S HA 0.137 4.607 4.470 -0.001 0.000 0.302 649 S C 1.537 176.123 174.600 -0.023 0.000 1.270 649 S CA 1.839 60.027 58.200 -0.021 0.000 1.040 649 S CB 0.569 63.756 63.200 -0.021 0.000 0.767 649 S HN 1.872 nan 8.310 nan 0.000 0.494 650 R N 1.227 121.711 120.500 -0.026 0.000 1.234 650 R HA -0.259 4.081 4.340 -0.001 0.000 0.032 650 R C 1.094 177.379 176.300 -0.025 0.000 0.957 650 R CA 1.723 57.808 56.100 -0.025 0.000 1.983 650 R CB -1.818 28.470 30.300 -0.020 0.000 0.180 650 R HN 0.666 nan 8.270 nan 0.000 0.729 651 D N 0.133 120.516 120.400 -0.028 0.000 2.265 651 D HA -0.056 4.583 4.640 -0.001 0.000 0.208 651 D C 1.321 177.600 176.300 -0.035 0.000 0.977 651 D CA 1.597 55.575 54.000 -0.037 0.000 0.871 651 D CB 0.145 40.921 40.800 -0.039 0.000 0.925 651 D HN 0.281 nan 8.370 nan 0.000 0.485 652 L N -0.191 121.016 121.223 -0.026 0.000 2.814 652 L HA 0.227 4.566 4.340 -0.001 0.000 0.183 652 L C 0.876 177.734 176.870 -0.020 0.000 1.362 652 L CA 0.134 54.961 54.840 -0.021 0.000 1.674 652 L CB -1.268 40.782 42.059 -0.016 0.000 1.673 652 L HN -0.085 nan 8.230 nan 0.000 0.869 653 Q N 1.314 121.102 119.800 -0.020 0.000 2.308 653 Q HA 0.127 4.467 4.340 -0.001 0.000 0.313 653 Q C -1.071 174.915 176.000 -0.023 0.000 1.075 653 Q CA 0.425 56.215 55.803 -0.022 0.000 0.995 653 Q CB 0.212 28.934 28.738 -0.027 0.000 1.107 653 Q HN 0.559 nan 8.270 nan 0.000 0.380 654 S N 1.866 117.553 115.700 -0.022 0.000 2.537 654 S HA 0.502 4.971 4.470 -0.001 0.000 0.271 654 S C -1.060 173.527 174.600 -0.021 0.000 1.148 654 S CA -1.035 57.155 58.200 -0.017 0.000 0.868 654 S CB 1.932 65.131 63.200 -0.002 0.000 1.115 654 S HN 0.436 nan 8.310 nan 0.000 0.461 655 S N 0.738 116.428 115.700 -0.016 0.000 2.617 655 S HA 0.855 5.325 4.470 -0.001 0.000 0.283 655 S C -0.615 173.986 174.600 0.002 0.000 1.189 655 S CA -0.592 57.596 58.200 -0.019 0.000 1.036 655 S CB 1.261 64.451 63.200 -0.017 0.000 1.014 655 S HN 0.749 nan 8.310 nan 0.000 0.522 656 V N 1.565 121.481 119.914 0.003 0.000 2.971 656 V HA 0.515 4.634 4.120 -0.001 0.000 0.309 656 V C -0.391 175.726 176.094 0.039 0.000 1.130 656 V CA -1.008 61.318 62.300 0.043 0.000 0.964 656 V CB 2.522 34.393 31.823 0.080 0.000 1.029 656 V HN 1.005 nan 8.190 nan 0.000 0.427 657 T N 2.359 116.946 114.554 0.056 0.000 2.767 657 T HA 0.796 5.145 4.350 -0.001 0.000 0.284 657 T C -0.679 174.068 174.700 0.078 0.000 0.973 657 T CA -0.466 61.661 62.100 0.045 0.000 0.996 657 T CB 0.783 69.666 68.868 0.025 0.000 0.927 657 T HN 0.368 nan 8.240 nan 0.000 0.456 658 L N 2.806 124.062 121.223 0.054 0.000 2.325 658 L HA 0.580 4.919 4.340 -0.001 0.000 0.278 658 L C -0.486 176.387 176.870 0.005 0.000 1.023 658 L CA -0.832 54.044 54.840 0.060 0.000 0.811 658 L CB 1.425 43.506 42.059 0.035 0.000 1.249 658 L HN 0.661 nan 8.230 nan 0.000 0.431 659 D N 4.120 124.540 120.400 0.033 0.000 2.346 659 D HA 0.358 4.998 4.640 -0.001 0.000 0.255 659 D C -0.641 175.679 176.300 0.034 0.000 1.276 659 D CA -0.194 53.812 54.000 0.010 0.000 0.941 659 D CB 1.389 42.221 40.800 0.053 0.000 1.199 659 D HN 0.208 nan 8.370 nan 0.000 0.537 660 L N 0.855 122.037 121.223 -0.067 0.000 2.350 660 L HA 0.799 5.139 4.340 -0.001 0.000 0.275 660 L C 0.408 177.386 176.870 0.179 0.000 1.099 660 L CA -0.699 54.159 54.840 0.030 0.000 0.808 660 L CB 1.197 43.168 42.059 -0.148 0.000 1.149 660 L HN 0.260 nan 8.230 nan 0.000 0.442 661 A N 3.699 126.672 122.820 0.255 0.000 2.488 661 A HA 0.760 5.079 4.320 -0.001 0.000 0.295 661 A C -1.225 176.464 177.584 0.175 0.000 1.045 661 A CA -0.499 51.675 52.037 0.228 0.000 0.703 661 A CB 1.327 20.407 19.000 0.133 0.000 1.271 661 A HN 0.481 nan 8.150 nan 0.000 0.400 662 L N 1.221 122.507 121.223 0.105 0.000 2.334 662 L HA 0.553 4.893 4.340 -0.001 0.000 0.275 662 L C -0.111 176.773 176.870 0.024 0.000 1.036 662 L CA -0.188 54.674 54.840 0.038 0.000 0.807 662 L CB 0.924 42.936 42.059 -0.078 0.000 1.231 662 L HN 0.697 nan 8.230 nan 0.000 0.438 663 D N 1.538 121.955 120.400 0.029 0.000 2.829 663 D HA -0.176 4.464 4.640 -0.001 0.000 0.219 663 D C -1.772 174.535 176.300 0.011 0.000 1.239 663 D CA 0.327 54.338 54.000 0.019 0.000 0.685 663 D CB -0.417 40.386 40.800 0.006 0.000 0.950 663 D HN 0.403 nan 8.370 nan 0.000 0.398 664 P HA -0.071 nan 4.420 nan 0.000 0.215 664 P C 1.700 178.992 177.300 -0.013 0.000 1.157 664 P CA 1.546 64.647 63.100 0.002 0.000 0.863 664 P CB 0.117 31.811 31.700 -0.009 0.000 0.787 665 G N 0.143 108.931 108.800 -0.019 0.000 2.498 665 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.219 665 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.219 665 G C 0.649 175.535 174.900 -0.023 0.000 1.119 665 G CA 0.081 45.165 45.100 -0.027 0.000 0.766 665 G HN 0.332 nan 8.290 nan 0.000 0.552 666 R N -0.346 120.143 120.500 -0.017 0.000 2.604 666 R HA 0.484 4.823 4.340 -0.001 0.000 0.287 666 R C -0.332 175.958 176.300 -0.017 0.000 0.970 666 R CA -0.939 55.149 56.100 -0.019 0.000 0.946 666 R CB 1.062 31.350 30.300 -0.020 0.000 1.127 666 R HN 0.007 nan 8.270 nan 0.000 0.473 667 L N 2.054 123.265 121.223 -0.019 0.000 2.862 667 L HA 0.116 4.456 4.340 -0.001 0.000 0.240 667 L C -0.113 176.746 176.870 -0.018 0.000 1.283 667 L CA -0.012 54.818 54.840 -0.016 0.000 1.117 667 L CB 0.028 42.077 42.059 -0.016 0.000 1.444 667 L HN 0.781 nan 8.230 nan 0.000 0.456 668 S N -1.639 114.049 115.700 -0.020 0.000 2.293 668 S HA 0.386 4.856 4.470 -0.001 0.000 0.154 668 S C -2.603 171.983 174.600 -0.023 0.000 1.602 668 S CA -1.314 56.871 58.200 -0.024 0.000 1.260 668 S CB 0.651 63.833 63.200 -0.031 0.000 1.270 668 S HN -0.098 nan 8.310 nan 0.000 0.416 669 P HA 0.168 nan 4.420 nan 0.000 0.258 669 P C 0.475 177.757 177.300 -0.030 0.000 1.187 669 P CA 0.018 63.104 63.100 -0.023 0.000 0.767 669 P CB 0.375 32.063 31.700 -0.019 0.000 0.770 670 R N 2.451 122.934 120.500 -0.028 0.000 2.313 670 R HA 0.360 4.700 4.340 -0.001 0.000 0.199 670 R C 0.350 176.626 176.300 -0.041 0.000 0.958 670 R CA 0.473 56.561 56.100 -0.020 0.000 1.047 670 R CB 0.009 30.319 30.300 0.016 0.000 0.955 670 R HN 0.607 nan 8.270 nan 0.000 0.481 671 A N -2.084 120.693 122.820 -0.073 0.000 2.428 671 A HA 0.535 4.854 4.320 -0.001 0.000 0.304 671 A C -1.257 176.241 177.584 -0.144 0.000 1.085 671 A CA -0.268 51.702 52.037 -0.110 0.000 0.605 671 A CB 0.671 19.580 19.000 -0.152 0.000 1.393 671 A HN 0.168 nan 8.150 nan 0.000 0.541 672 T N -2.144 112.299 114.554 -0.186 0.000 2.885 672 T HA 0.668 5.018 4.350 -0.001 0.000 0.322 672 T C -0.870 173.696 174.700 -0.223 0.000 1.387 672 T CA -0.535 61.456 62.100 -0.181 0.000 1.041 672 T CB 0.611 69.456 68.868 -0.039 0.000 1.287 672 T HN 0.780 nan 8.240 nan 0.000 0.491 673 F N 1.397 121.367 119.950 0.033 0.000 2.389 673 F HA 0.440 4.966 4.527 -0.001 0.000 0.337 673 F C 2.132 177.963 175.800 0.053 0.000 1.112 673 F CA -0.575 57.455 58.000 0.049 0.000 1.192 673 F CB 1.163 40.176 39.000 0.022 0.000 1.185 673 F HN 0.773 nan 8.300 nan 0.000 0.552 674 Q N 0.903 120.860 119.800 0.261 0.000 2.123 674 Q HA -0.151 4.188 4.340 -0.001 0.000 0.196 674 Q C 1.878 177.970 176.000 0.153 0.000 0.958 674 Q CA 1.142 57.042 55.803 0.162 0.000 0.841 674 Q CB 0.032 28.851 28.738 0.134 0.000 0.915 674 Q HN 0.767 nan 8.270 nan 0.000 0.455 675 E N -0.363 119.947 120.200 0.183 0.000 2.130 675 E HA -0.186 4.164 4.350 -0.001 0.000 0.196 675 E C 1.480 178.141 176.600 0.101 0.000 0.998 675 E CA 1.939 58.420 56.400 0.135 0.000 0.806 675 E CB -0.158 29.633 29.700 0.151 0.000 0.738 675 E HN 0.303 nan 8.360 nan 0.000 0.459 676 T N -2.358 112.266 114.554 0.116 0.000 2.955 676 T HA 0.160 4.510 4.350 -0.001 0.000 0.251 676 T C 0.804 175.559 174.700 0.092 0.000 1.002 676 T CA 0.675 62.827 62.100 0.087 0.000 0.970 676 T CB -0.138 68.770 68.868 0.067 0.000 1.091 676 T HN 0.276 nan 8.240 nan 0.000 0.495 677 K N -0.083 120.388 120.400 0.119 0.000 3.609 677 K HA -0.150 4.170 4.320 -0.001 0.000 0.277 677 K C -0.353 176.298 176.600 0.085 0.000 1.196 677 K CA 0.901 57.242 56.287 0.089 0.000 1.022 677 K CB -1.372 31.164 32.500 0.061 0.000 1.292 677 K HN 0.349 nan 8.250 nan 0.000 0.484 678 N N 0.249 119.015 118.700 0.111 0.000 2.347 678 N HA 0.110 4.849 4.740 -0.001 0.000 0.253 678 N C 0.858 176.443 175.510 0.125 0.000 1.274 678 N CA 0.353 53.464 53.050 0.103 0.000 0.941 678 N CB 0.517 39.064 38.487 0.100 0.000 1.200 678 N HN 0.280 nan 8.380 nan 0.000 0.514 679 R N -1.337 119.216 120.500 0.088 0.000 2.323 679 R HA 0.193 4.532 4.340 -0.001 0.000 0.198 679 R C -0.152 176.247 176.300 0.164 0.000 0.988 679 R CA 0.227 56.357 56.100 0.051 0.000 1.041 679 R CB -0.400 29.913 30.300 0.022 0.000 0.926 679 R HN 0.427 nan 8.270 nan 0.000 0.476 680 S N -0.578 115.300 115.700 0.297 0.000 2.671 680 S HA 0.753 5.223 4.470 -0.001 0.000 0.277 680 S C -1.045 173.672 174.600 0.195 0.000 1.165 680 S CA -0.773 57.657 58.200 0.382 0.000 0.822 680 S CB 1.664 64.970 63.200 0.177 0.000 1.150 680 S HN 0.334 nan 8.310 nan 0.000 0.479 681 L N -2.035 119.108 121.223 -0.133 0.000 2.671 681 L HA 0.985 5.325 4.340 -0.001 0.000 0.259 681 L C -0.946 175.758 176.870 -0.277 0.000 1.021 681 L CA -0.446 54.230 54.840 -0.274 0.000 0.871 681 L CB 1.484 43.220 42.059 -0.539 0.000 1.472 681 L HN 0.891 nan 8.230 nan 0.000 0.410 682 S N 0.446 116.037 115.700 -0.181 0.000 2.541 682 S HA 0.881 5.350 4.470 -0.001 0.000 0.280 682 S C -1.291 173.260 174.600 -0.082 0.000 1.112 682 S CA -0.649 57.477 58.200 -0.123 0.000 0.925 682 S CB 1.325 64.493 63.200 -0.053 0.000 1.067 682 S HN 0.838 nan 8.310 nan 0.000 0.479 683 R N 2.276 122.746 120.500 -0.050 0.000 2.566 683 R HA 0.417 4.756 4.340 -0.001 0.000 0.271 683 R C -1.711 174.601 176.300 0.020 0.000 1.071 683 R CA -0.774 55.330 56.100 0.007 0.000 0.915 683 R CB 1.997 32.334 30.300 0.062 0.000 1.228 683 R HN 0.455 nan 8.270 nan 0.000 0.449 684 V N 4.297 124.221 119.914 0.017 0.000 2.385 684 V HA 0.438 4.558 4.120 -0.001 0.000 0.269 684 V C 0.219 176.309 176.094 -0.005 0.000 1.043 684 V CA -0.270 62.034 62.300 0.007 0.000 0.906 684 V CB 0.816 32.642 31.823 0.004 0.000 0.995 684 V HN 0.586 nan 8.190 nan 0.000 0.467 685 R N 3.055 123.531 120.500 -0.041 0.000 2.795 685 R HA 0.633 4.973 4.340 -0.001 0.000 0.275 685 R C -1.184 175.003 176.300 -0.188 0.000 0.981 685 R CA -0.940 55.090 56.100 -0.116 0.000 0.917 685 R CB 2.568 32.764 30.300 -0.173 0.000 1.202 685 R HN 0.448 nan 8.270 nan 0.000 0.469 686 V N 4.053 123.844 119.914 -0.205 0.000 2.488 686 V HA 0.291 4.410 4.120 -0.001 0.000 0.277 686 V C -0.075 175.898 176.094 -0.202 0.000 1.046 686 V CA -0.172 62.039 62.300 -0.147 0.000 0.986 686 V CB 0.487 32.270 31.823 -0.066 0.000 0.989 686 V HN 0.507 nan 8.190 nan 0.000 0.475 687 L N 6.311 127.465 121.223 -0.116 0.000 2.416 687 L HA 0.922 5.262 4.340 -0.001 0.000 0.263 687 L C 0.691 177.553 176.870 -0.014 0.000 1.065 687 L CA -0.006 54.795 54.840 -0.065 0.000 0.798 687 L CB 1.698 43.734 42.059 -0.038 0.000 1.267 687 L HN 0.808 nan 8.230 nan 0.000 0.467 688 G N -0.640 108.170 108.800 0.016 0.000 2.645 688 G HA2 0.380 4.339 3.960 -0.001 0.000 0.292 688 G HA3 0.380 4.339 3.960 -0.001 0.000 0.292 688 G C -0.207 174.708 174.900 0.025 0.000 1.415 688 G CA -0.586 44.523 45.100 0.017 0.000 0.785 688 G HN 0.516 nan 8.290 nan 0.000 0.483 689 L N -1.506 119.725 121.223 0.013 0.000 2.275 689 L HA 0.383 4.723 4.340 -0.001 0.000 0.215 689 L C 1.080 177.988 176.870 0.063 0.000 1.119 689 L CA 1.074 55.925 54.840 0.019 0.000 0.790 689 L CB -0.576 41.481 42.059 -0.003 0.000 0.919 689 L HN 0.219 nan 8.230 nan 0.000 0.443 690 K N 1.857 122.289 120.400 0.053 0.000 2.201 690 K HA 0.639 4.959 4.320 -0.001 0.000 0.278 690 K C 0.172 176.820 176.600 0.080 0.000 1.027 690 K CA -0.012 56.307 56.287 0.053 0.000 0.909 690 K CB 0.994 33.509 32.500 0.025 0.000 1.062 690 K HN 0.295 nan 8.250 nan 0.000 0.465 691 A N 3.389 126.250 122.820 0.069 0.000 2.614 691 A HA 0.006 4.326 4.320 -0.001 0.000 0.231 691 A C -0.604 177.042 177.584 0.104 0.000 1.076 691 A CA 0.606 52.693 52.037 0.082 0.000 0.767 691 A CB -0.275 18.690 19.000 -0.059 0.000 1.012 691 A HN 0.911 nan 8.150 nan 0.000 0.512 692 H N -0.519 118.558 119.070 0.011 0.000 3.092 692 H HA 0.471 5.027 4.556 -0.001 0.000 0.308 692 H C -1.293 174.022 175.328 -0.022 0.000 1.047 692 H CA -0.591 55.451 56.048 -0.009 0.000 1.466 692 H CB 0.619 30.381 29.762 0.001 0.000 1.597 692 H HN 0.658 nan 8.280 nan 0.000 0.512 693 c N 4.219 122.628 118.600 -0.318 0.000 2.295 693 c HA 0.468 5.037 4.570 -0.001 0.000 0.331 693 c C -0.013 173.865 174.090 -0.353 0.000 1.280 693 c CA -0.551 55.638 56.329 -0.234 0.000 1.746 693 c CB 0.034 42.445 42.510 -0.165 0.000 2.328 693 c HN 0.869 nan 8.230 nan 0.000 0.521 694 E N 2.878 122.926 120.200 -0.253 0.000 2.275 694 E HA 0.409 4.758 4.350 -0.001 0.000 0.270 694 E C -1.201 175.144 176.600 -0.426 0.000 0.882 694 E CA -0.377 55.802 56.400 -0.368 0.000 0.758 694 E CB 1.076 30.546 29.700 -0.384 0.000 1.195 694 E HN 0.833 nan 8.360 nan 0.000 0.419 695 N N 3.071 121.516 118.700 -0.424 0.000 2.430 695 N HA 0.414 5.153 4.740 -0.001 0.000 0.292 695 N C -1.331 173.937 175.510 -0.403 0.000 1.051 695 N CA -0.325 52.556 53.050 -0.282 0.000 0.917 695 N CB 0.666 39.084 38.487 -0.115 0.000 1.164 695 N HN 0.181 nan 8.380 nan 0.000 0.484 696 F N -0.245 119.762 119.950 0.095 0.000 2.556 696 F HA 0.458 4.984 4.527 -0.001 0.000 0.327 696 F C 0.430 176.342 175.800 0.187 0.000 1.059 696 F CA -1.063 57.024 58.000 0.145 0.000 0.953 696 F CB 1.353 40.468 39.000 0.191 0.000 1.227 696 F HN 0.266 nan 8.300 nan 0.000 0.478 697 N N 1.817 120.751 118.700 0.390 0.000 2.455 697 N HA 0.539 5.279 4.740 -0.001 0.000 0.280 697 N C -1.296 174.368 175.510 0.258 0.000 1.055 697 N CA -0.325 52.878 53.050 0.255 0.000 0.961 697 N CB 1.463 40.055 38.487 0.175 0.000 1.121 697 N HN 0.307 nan 8.380 nan 0.000 0.476 698 L N 1.844 123.151 121.223 0.139 0.000 2.362 698 L HA 0.541 4.881 4.340 -0.001 0.000 0.271 698 L C -0.695 176.172 176.870 -0.005 0.000 1.002 698 L CA -0.603 54.247 54.840 0.016 0.000 0.818 698 L CB 1.551 43.594 42.059 -0.027 0.000 1.298 698 L HN 0.269 nan 8.230 nan 0.000 0.420 699 L N 3.692 124.891 121.223 -0.041 0.000 2.345 699 L HA 0.498 4.838 4.340 -0.001 0.000 0.274 699 L C -0.730 176.113 176.870 -0.045 0.000 0.999 699 L CA 0.006 54.831 54.840 -0.025 0.000 0.849 699 L CB 1.242 43.298 42.059 -0.006 0.000 1.220 699 L HN 0.378 nan 8.230 nan 0.000 0.422 700 L N 6.117 127.315 121.223 -0.042 0.000 2.265 700 L HA 0.443 4.783 4.340 -0.001 0.000 0.288 700 L C -1.862 174.995 176.870 -0.022 0.000 1.058 700 L CA -1.782 53.034 54.840 -0.041 0.000 0.809 700 L CB 1.072 43.101 42.059 -0.050 0.000 1.179 700 L HN 0.333 nan 8.230 nan 0.000 0.429 701 P HA 0.010 nan 4.420 nan 0.000 0.268 701 P C 0.671 177.961 177.300 -0.017 0.000 1.204 701 P CA -0.177 62.911 63.100 -0.019 0.000 0.768 701 P CB 1.018 32.703 31.700 -0.026 0.000 0.842 702 S N 2.072 117.766 115.700 -0.011 0.000 2.380 702 S HA -0.159 4.310 4.470 -0.001 0.000 0.229 702 S C 0.756 175.342 174.600 -0.024 0.000 1.043 702 S CA 0.830 59.027 58.200 -0.004 0.000 1.038 702 S CB -1.124 62.077 63.200 0.002 0.000 0.872 702 S HN 0.575 nan 8.310 nan 0.000 0.456 703 c N 1.990 120.565 118.600 -0.041 0.000 2.329 703 c HA 0.898 5.467 4.570 -0.001 0.000 0.329 703 c C -0.016 174.014 174.090 -0.099 0.000 1.275 703 c CA -0.900 55.385 56.329 -0.074 0.000 1.726 703 c CB 0.513 42.990 42.510 -0.055 0.000 2.291 703 c HN 0.404 nan 8.230 nan 0.000 0.514 704 V N 2.753 122.567 119.914 -0.166 0.000 3.048 704 V HA 0.281 4.401 4.120 -0.001 0.000 0.303 704 V C 0.244 176.199 176.094 -0.233 0.000 1.214 704 V CA -0.444 61.753 62.300 -0.172 0.000 0.984 704 V CB 1.871 33.603 31.823 -0.152 0.000 1.054 704 V HN 0.943 nan 8.190 nan 0.000 0.430 705 E N 0.800 120.892 120.200 -0.180 0.000 2.012 705 E HA -0.051 4.299 4.350 -0.001 0.000 0.192 705 E C 0.168 176.631 176.600 -0.228 0.000 0.977 705 E CA 0.651 56.946 56.400 -0.176 0.000 0.832 705 E CB 0.100 29.729 29.700 -0.119 0.000 0.790 705 E HN 0.770 nan 8.360 nan 0.000 0.466 706 D N -0.182 120.092 120.400 -0.211 0.000 2.383 706 D HA 0.005 4.644 4.640 -0.001 0.000 0.252 706 D C 0.232 176.264 176.300 -0.446 0.000 1.166 706 D CA 0.184 54.030 54.000 -0.257 0.000 0.879 706 D CB 1.080 41.768 40.800 -0.187 0.000 1.164 706 D HN 0.103 nan 8.370 nan 0.000 0.462 707 S N 1.521 116.885 115.700 -0.561 0.000 2.631 707 S HA -0.042 4.427 4.470 -0.001 0.000 0.246 707 S C 1.952 175.957 174.600 -0.992 0.000 1.068 707 S CA 0.416 57.971 58.200 -1.075 0.000 0.995 707 S CB -0.521 62.376 63.200 -0.505 0.000 0.944 707 S HN 0.313 nan 8.310 nan 0.000 0.529 708 V N 2.409 122.035 119.914 -0.480 0.000 2.287 708 V HA 0.002 4.122 4.120 -0.001 0.000 0.248 708 V C 1.457 177.413 176.094 -0.230 0.000 1.053 708 V CA 1.723 63.817 62.300 -0.343 0.000 1.027 708 V CB -2.319 29.364 31.823 -0.234 0.000 0.646 708 V HN 0.725 nan 8.190 nan 0.000 0.447 709 T N -0.444 113.983 114.554 -0.212 0.000 2.738 709 T HA 0.469 4.819 4.350 -0.001 0.000 0.294 709 T C -2.262 172.446 174.700 0.013 0.000 0.914 709 T CA -1.730 60.329 62.100 -0.068 0.000 1.052 709 T CB 0.422 69.263 68.868 -0.046 0.000 0.897 709 T HN 0.372 nan 8.240 nan 0.000 0.522 710 P HA 0.039 nan 4.420 nan 0.000 0.268 710 P C 0.383 177.830 177.300 0.245 0.000 1.189 710 P CA -0.229 63.076 63.100 0.342 0.000 0.771 710 P CB 0.232 32.043 31.700 0.185 0.000 0.822 711 I N -1.098 119.599 120.570 0.212 0.000 2.416 711 I HA 0.333 4.503 4.170 -0.001 0.000 0.288 711 I C 0.476 176.615 176.117 0.037 0.000 1.051 711 I CA -0.585 60.763 61.300 0.081 0.000 1.375 711 I CB 0.734 38.738 38.000 0.007 0.000 1.407 711 I HN 0.229 nan 8.210 nan 0.000 0.516 712 T N 4.958 119.561 114.554 0.082 0.000 2.909 712 T HA 0.575 4.924 4.350 -0.001 0.000 0.289 712 T C -0.481 174.322 174.700 0.172 0.000 1.005 712 T CA -0.765 61.416 62.100 0.136 0.000 1.084 712 T CB 1.937 70.872 68.868 0.112 0.000 0.975 712 T HN 0.705 nan 8.240 nan 0.000 0.509 713 L N 2.841 124.223 121.223 0.265 0.000 2.504 713 L HA 0.607 4.947 4.340 -0.001 0.000 0.265 713 L C -0.686 176.332 176.870 0.248 0.000 0.975 713 L CA -0.953 54.055 54.840 0.281 0.000 0.864 713 L CB 1.352 43.658 42.059 0.410 0.000 1.212 713 L HN 0.971 nan 8.230 nan 0.000 0.416 714 R N 3.781 124.410 120.500 0.215 0.000 2.787 714 R HA 0.842 5.182 4.340 -0.001 0.000 0.271 714 R C -1.549 174.895 176.300 0.240 0.000 0.993 714 R CA -0.733 55.504 56.100 0.228 0.000 0.993 714 R CB 1.426 31.839 30.300 0.189 0.000 1.155 714 R HN 0.408 nan 8.270 nan 0.000 0.486 715 L N -0.381 121.013 121.223 0.285 0.000 2.365 715 L HA 0.619 4.959 4.340 -0.001 0.000 0.273 715 L C -0.890 176.177 176.870 0.328 0.000 1.000 715 L CA -0.983 54.019 54.840 0.269 0.000 0.819 715 L CB 1.864 44.062 42.059 0.232 0.000 1.284 715 L HN 0.752 nan 8.230 nan 0.000 0.418 716 N N 3.085 121.941 118.700 0.260 0.000 2.437 716 N HA 0.476 5.215 4.740 -0.001 0.000 0.259 716 N C -1.458 174.137 175.510 0.142 0.000 0.983 716 N CA -0.400 52.723 53.050 0.122 0.000 0.937 716 N CB 0.864 39.452 38.487 0.169 0.000 1.122 716 N HN 0.689 nan 8.380 nan 0.000 0.499 717 F N 1.059 120.965 119.950 -0.073 0.000 2.565 717 F HA 0.769 5.296 4.527 -0.001 0.000 0.313 717 F C -0.056 175.710 175.800 -0.057 0.000 1.091 717 F CA -0.658 57.323 58.000 -0.032 0.000 0.915 717 F CB 1.333 40.347 39.000 0.023 0.000 1.208 717 F HN 0.406 nan 8.300 nan 0.000 0.453 718 T N 0.295 114.814 114.554 -0.058 0.000 2.564 718 T HA 0.639 4.989 4.350 -0.001 0.000 0.265 718 T C -1.341 173.370 174.700 0.019 0.000 0.908 718 T CA -0.907 61.103 62.100 -0.150 0.000 1.166 718 T CB 1.111 69.896 68.868 -0.138 0.000 1.497 718 T HN 0.764 nan 8.240 nan 0.000 0.484 719 L N 1.587 122.808 121.223 -0.003 0.000 2.462 719 L HA 0.613 4.952 4.340 -0.001 0.000 0.255 719 L C -0.351 176.526 176.870 0.012 0.000 1.076 719 L CA -0.847 54.009 54.840 0.026 0.000 0.920 719 L CB 1.526 43.603 42.059 0.029 0.000 1.214 719 L HN 0.553 nan 8.230 nan 0.000 0.472 720 V N 3.083 123.006 119.914 0.014 0.000 2.732 720 V HA 0.680 4.800 4.120 -0.001 0.000 0.297 720 V C 1.217 177.314 176.094 0.006 0.000 1.060 720 V CA 1.429 63.733 62.300 0.008 0.000 1.038 720 V CB 1.275 33.103 31.823 0.008 0.000 1.003 720 V HN 0.926 nan 8.190 nan 0.000 0.481 721 G N 3.887 112.691 108.800 0.006 0.000 5.045 721 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.229 721 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.229 721 G C 0.616 175.519 174.900 0.006 0.000 1.440 721 G CA 0.470 45.573 45.100 0.005 0.000 0.936 721 G HN 1.369 nan 8.290 nan 0.000 0.690 722 K N -0.355 120.044 120.400 -0.000 0.000 3.281 722 K HA -0.145 4.174 4.320 -0.001 0.000 0.295 722 K C -2.465 174.122 176.600 -0.021 0.000 1.233 722 K CA 1.073 57.360 56.287 -0.001 0.000 0.866 722 K CB -1.562 30.949 32.500 0.017 0.000 1.265 722 K HN 0.668 nan 8.250 nan 0.000 0.482 723 P HA 0.335 nan 4.420 nan 0.000 0.297 723 P C -0.653 176.573 177.300 -0.124 0.000 1.331 723 P CA -0.209 62.825 63.100 -0.110 0.000 0.803 723 P CB 0.790 32.436 31.700 -0.089 0.000 0.929 724 L N 5.482 126.604 121.223 -0.169 0.000 2.485 724 L HA 0.194 4.534 4.340 -0.001 0.000 0.260 724 L C 0.715 177.488 176.870 -0.162 0.000 0.998 724 L CA -0.654 54.108 54.840 -0.129 0.000 0.883 724 L CB 1.389 43.400 42.059 -0.081 0.000 1.196 724 L HN 0.270 nan 8.230 nan 0.000 0.443 725 L N 2.418 123.548 121.223 -0.156 0.000 4.932 725 L HA -0.343 3.997 4.340 -0.001 0.000 0.053 725 L C 0.532 177.269 176.870 -0.221 0.000 3.391 725 L CA 2.265 57.021 54.840 -0.141 0.000 1.344 725 L CB -1.057 40.951 42.059 -0.084 0.000 3.088 725 L HN 0.663 nan 8.230 nan 0.000 0.942 726 A N -1.157 121.564 122.820 -0.165 0.000 2.246 726 A HA 0.597 4.917 4.320 -0.001 0.000 0.291 726 A C 0.094 177.529 177.584 -0.247 0.000 1.103 726 A CA 0.299 52.246 52.037 -0.149 0.000 0.844 726 A CB 0.065 19.068 19.000 0.005 0.000 1.136 726 A HN 0.482 nan 8.150 nan 0.000 0.500 727 F N -0.343 119.615 119.950 0.012 0.000 2.873 727 F HA 0.217 4.744 4.527 -0.001 0.000 0.289 727 F C 1.651 177.462 175.800 0.018 0.000 1.206 727 F CA 0.151 58.159 58.000 0.014 0.000 1.401 727 F CB -0.037 38.973 39.000 0.016 0.000 0.996 727 F HN 0.511 nan 8.300 nan 0.000 0.511 728 R N 0.365 120.932 120.500 0.110 0.000 2.317 728 R HA 0.045 4.385 4.340 -0.001 0.000 0.208 728 R C 1.543 177.868 176.300 0.042 0.000 0.914 728 R CA 0.463 56.609 56.100 0.076 0.000 1.060 728 R CB -0.101 30.227 30.300 0.047 0.000 1.015 728 R HN 0.379 nan 8.270 nan 0.000 0.498 729 N N 0.347 119.068 118.700 0.035 0.000 2.516 729 N HA 0.013 4.752 4.740 -0.001 0.000 0.197 729 N C 1.242 176.780 175.510 0.045 0.000 1.064 729 N CA 0.089 53.152 53.050 0.023 0.000 0.866 729 N CB 0.338 38.824 38.487 -0.001 0.000 1.255 729 N HN 0.045 nan 8.380 nan 0.000 0.447 730 L N -0.256 121.011 121.223 0.073 0.000 4.142 730 L HA -0.363 3.976 4.340 -0.001 0.000 0.053 730 L C 0.300 177.208 176.870 0.064 0.000 3.897 730 L CA 2.366 57.268 54.840 0.102 0.000 1.100 730 L CB -1.049 41.075 42.059 0.109 0.000 3.275 730 L HN 0.543 nan 8.230 nan 0.000 0.858 731 R N 1.365 121.899 120.500 0.056 0.000 2.320 731 R HA 0.561 4.900 4.340 -0.001 0.000 0.319 731 R C -2.867 173.461 176.300 0.046 0.000 0.969 731 R CA -1.684 54.444 56.100 0.048 0.000 0.857 731 R CB 1.584 31.913 30.300 0.049 0.000 1.160 731 R HN 0.007 nan 8.270 nan 0.000 0.491 732 P HA 0.335 nan 4.420 nan 0.000 0.277 732 P C -0.663 176.676 177.300 0.066 0.000 1.271 732 P CA -0.689 62.442 63.100 0.052 0.000 0.795 732 P CB 0.910 32.633 31.700 0.039 0.000 1.101 733 M N -1.997 117.659 119.600 0.093 0.000 3.084 733 M HA 0.477 4.956 4.480 -0.001 0.000 0.273 733 M C -1.795 174.592 176.300 0.145 0.000 1.242 733 M CA -0.903 54.457 55.300 0.101 0.000 0.819 733 M CB 0.976 33.646 32.600 0.117 0.000 1.625 733 M HN -0.065 nan 8.290 nan 0.000 0.493 734 L N 1.085 122.374 121.223 0.110 0.000 2.365 734 L HA 0.933 5.273 4.340 -0.001 0.000 0.267 734 L C 0.498 177.441 176.870 0.122 0.000 1.033 734 L CA -0.867 54.050 54.840 0.128 0.000 0.802 734 L CB 1.568 43.631 42.059 0.007 0.000 1.267 734 L HN 0.955 nan 8.230 nan 0.000 0.457 735 A N 0.248 123.122 122.820 0.091 0.000 2.275 735 A HA 0.623 4.943 4.320 -0.001 0.000 0.282 735 A C 1.035 178.338 177.584 -0.469 0.000 1.275 735 A CA 0.476 52.439 52.037 -0.122 0.000 0.842 735 A CB 0.051 18.930 19.000 -0.202 0.000 1.280 735 A HN 0.847 nan 8.150 nan 0.000 0.508 736 A N -0.963 121.442 122.820 -0.692 0.000 1.854 736 A HA 0.047 4.366 4.320 -0.001 0.000 0.214 736 A C 0.630 178.005 177.584 -0.348 0.000 1.192 736 A CA 1.451 53.134 52.037 -0.590 0.000 0.611 736 A CB -0.565 18.093 19.000 -0.569 0.000 0.832 736 A HN 0.638 nan 8.150 nan 0.000 0.442 737 D N 1.028 121.244 120.400 -0.307 0.000 2.600 737 D HA 0.439 5.078 4.640 -0.001 0.000 0.226 737 D C -0.338 175.861 176.300 -0.169 0.000 1.119 737 D CA 0.480 54.353 54.000 -0.212 0.000 1.051 737 D CB 0.045 40.730 40.800 -0.191 0.000 1.106 737 D HN 0.335 nan 8.370 nan 0.000 0.491 738 A N 2.383 125.102 122.820 -0.168 0.000 2.412 738 A HA 0.178 4.497 4.320 -0.001 0.000 0.334 738 A C 0.546 178.016 177.584 -0.189 0.000 1.419 738 A CA -0.711 51.247 52.037 -0.132 0.000 0.930 738 A CB 0.443 19.329 19.000 -0.189 0.000 1.149 738 A HN 0.095 nan 8.150 nan 0.000 0.515 739 Q N 2.203 121.907 119.800 -0.160 0.000 3.179 739 Q HA 0.075 4.414 4.340 -0.001 0.000 0.328 739 Q C 0.830 176.341 176.000 -0.815 0.000 1.336 739 Q CA 0.001 55.550 55.803 -0.424 0.000 0.939 739 Q CB -0.179 28.334 28.738 -0.376 0.000 1.658 739 Q HN 0.763 nan 8.270 nan 0.000 0.486 740 R N -0.249 119.922 120.500 -0.549 0.000 2.261 740 R HA -0.128 4.212 4.340 -0.001 0.000 0.236 740 R C -0.110 175.895 176.300 -0.491 0.000 1.141 740 R CA 0.940 56.684 56.100 -0.593 0.000 1.001 740 R CB 0.082 29.844 30.300 -0.897 0.000 0.866 740 R HN 0.251 nan 8.270 nan 0.000 0.468 741 Y N 0.087 120.179 120.300 -0.346 0.000 2.676 741 Y HA 0.208 4.757 4.550 -0.001 0.000 0.338 741 Y C -0.553 175.181 175.900 -0.277 0.000 1.057 741 Y CA -0.971 57.011 58.100 -0.197 0.000 1.314 741 Y CB 0.074 38.460 38.460 -0.124 0.000 1.164 741 Y HN -0.195 nan 8.280 nan 0.000 0.509 742 F N 1.101 121.222 119.950 0.285 0.000 2.411 742 F HA 0.516 5.043 4.527 -0.001 0.000 0.352 742 F C 0.383 176.287 175.800 0.174 0.000 1.123 742 F CA -0.952 57.167 58.000 0.199 0.000 1.044 742 F CB 1.621 40.717 39.000 0.159 0.000 1.135 742 F HN 0.120 nan 8.300 nan 0.000 0.461 743 T N 2.625 117.382 114.554 0.338 0.000 2.856 743 T HA 0.829 5.179 4.350 -0.001 0.000 0.283 743 T C -0.662 174.171 174.700 0.221 0.000 1.008 743 T CA -0.734 61.514 62.100 0.247 0.000 0.997 743 T CB 1.741 70.726 68.868 0.194 0.000 0.992 743 T HN 0.674 nan 8.240 nan 0.000 0.454 744 A N 2.081 125.032 122.820 0.219 0.000 2.386 744 A HA 0.828 5.147 4.320 -0.001 0.000 0.311 744 A C 0.075 177.909 177.584 0.417 0.000 1.068 744 A CA -0.861 51.313 52.037 0.229 0.000 0.743 744 A CB 1.213 20.247 19.000 0.057 0.000 1.258 744 A HN 0.871 nan 8.150 nan 0.000 0.429 745 S N 1.244 117.182 115.700 0.396 0.000 2.565 745 S HA 0.733 5.203 4.470 -0.001 0.000 0.290 745 S C -0.562 174.202 174.600 0.274 0.000 1.150 745 S CA -0.628 57.757 58.200 0.309 0.000 1.058 745 S CB 1.239 64.552 63.200 0.188 0.000 1.032 745 S HN 0.909 nan 8.310 nan 0.000 0.510 746 L N 2.774 123.904 121.223 -0.156 0.000 2.345 746 L HA 0.524 4.864 4.340 -0.001 0.000 0.274 746 L C -2.740 173.978 176.870 -0.254 0.000 0.999 746 L CA -2.393 52.156 54.840 -0.485 0.000 0.849 746 L CB 2.127 43.450 42.059 -1.227 0.000 1.220 746 L HN 0.529 nan 8.230 nan 0.000 0.422 747 P HA 0.357 nan 4.420 nan 0.000 0.279 747 P C -1.240 176.017 177.300 -0.072 0.000 1.282 747 P CA -0.141 63.000 63.100 0.069 0.000 0.788 747 P CB 0.665 32.415 31.700 0.082 0.000 1.139 748 F N -1.675 118.262 119.950 -0.021 0.000 2.579 748 F HA 0.325 4.852 4.527 -0.001 0.000 0.324 748 F C 0.955 176.737 175.800 -0.030 0.000 1.058 748 F CA -0.998 57.005 58.000 0.005 0.000 0.944 748 F CB 0.812 39.861 39.000 0.083 0.000 1.245 748 F HN 0.243 nan 8.300 nan 0.000 0.477 749 E N 2.253 122.520 120.200 0.110 0.000 1.791 749 E HA 0.044 4.394 4.350 -0.001 0.000 0.263 749 E C -0.405 176.119 176.600 -0.125 0.000 1.213 749 E CA -0.506 55.878 56.400 -0.026 0.000 0.991 749 E CB 0.156 29.806 29.700 -0.082 0.000 1.068 749 E HN 0.377 nan 8.360 nan 0.000 0.417 750 K N 3.669 124.023 120.400 -0.075 0.000 2.472 750 K HA -0.045 4.274 4.320 -0.001 0.000 0.280 750 K C -0.688 175.806 176.600 -0.176 0.000 1.028 750 K CA -0.069 56.131 56.287 -0.145 0.000 1.045 750 K CB 0.111 32.498 32.500 -0.188 0.000 0.902 750 K HN 0.326 nan 8.250 nan 0.000 0.478 751 N N 3.793 122.346 118.700 -0.245 0.000 2.399 751 N HA -0.063 4.676 4.740 -0.001 0.000 0.284 751 N C 0.190 175.677 175.510 -0.039 0.000 1.283 751 N CA 0.090 53.033 53.050 -0.179 0.000 0.972 751 N CB -0.353 38.050 38.487 -0.140 0.000 1.328 751 N HN 0.632 nan 8.380 nan 0.000 0.486 752 c N 0.976 119.575 118.600 -0.003 0.000 2.454 752 c HA 0.662 5.231 4.570 -0.001 0.000 0.321 752 c C 0.936 175.070 174.090 0.074 0.000 1.299 752 c CA -0.130 56.244 56.329 0.075 0.000 1.683 752 c CB -1.578 41.012 42.510 0.135 0.000 1.772 752 c HN 0.706 nan 8.230 nan 0.000 0.596 753 G N -0.782 108.036 108.800 0.030 0.000 2.381 753 G HA2 0.419 4.379 3.960 -0.001 0.000 0.672 753 G HA3 0.419 4.379 3.960 -0.001 0.000 0.672 753 G C 0.295 175.205 174.900 0.017 0.000 1.324 753 G CA -0.349 44.766 45.100 0.024 0.000 0.975 753 G HN 1.187 nan 8.290 nan 0.000 0.593 754 A N -0.306 122.524 122.820 0.016 0.000 2.239 754 A HA 0.443 4.762 4.320 -0.001 0.000 0.209 754 A C 1.097 178.693 177.584 0.020 0.000 1.171 754 A CA 2.446 54.491 52.037 0.013 0.000 0.768 754 A CB -0.649 18.359 19.000 0.013 0.000 0.790 754 A HN 1.728 nan 8.150 nan 0.000 0.478 755 D N -5.601 114.824 120.400 0.042 0.000 3.734 755 D HA 0.215 4.854 4.640 -0.001 0.000 0.350 755 D C 0.339 176.716 176.300 0.129 0.000 1.511 755 D CA 0.259 54.292 54.000 0.056 0.000 0.956 755 D CB -0.131 40.699 40.800 0.050 0.000 1.470 755 D HN 0.250 nan 8.370 nan 0.000 0.598 756 H N -1.400 117.661 119.070 -0.014 0.000 3.882 756 H HA -0.211 4.344 4.556 -0.001 0.000 0.165 756 H C 1.049 176.368 175.328 -0.014 0.000 0.896 756 H CA 1.918 57.959 56.048 -0.013 0.000 1.243 756 H CB -1.003 28.753 29.762 -0.011 0.000 0.958 756 H HN 0.782 nan 8.280 nan 0.000 0.400 757 I N -1.990 118.528 120.570 -0.088 0.000 4.023 757 I HA -0.365 3.804 4.170 -0.001 0.000 0.143 757 I C 0.554 176.591 176.117 -0.134 0.000 0.902 757 I CA 1.510 62.736 61.300 -0.124 0.000 1.254 757 I CB -1.734 36.180 38.000 -0.144 0.000 1.332 757 I HN 0.956 nan 8.210 nan 0.000 0.205 758 c N 2.120 120.614 118.600 -0.176 0.000 3.443 758 c HA -0.110 4.459 4.570 -0.001 0.000 0.300 758 c C 0.496 174.534 174.090 -0.087 0.000 1.072 758 c CA 0.175 56.463 56.329 -0.070 0.000 2.449 758 c CB -1.966 40.535 42.510 -0.015 0.000 1.474 758 c HN 0.545 nan 8.230 nan 0.000 0.523 759 Q N 1.402 121.127 119.800 -0.125 0.000 2.294 759 Q HA 0.259 4.599 4.340 -0.001 0.000 0.257 759 Q C 0.037 176.026 176.000 -0.019 0.000 0.955 759 Q CA 0.219 55.974 55.803 -0.079 0.000 0.936 759 Q CB 1.154 29.829 28.738 -0.105 0.000 1.188 759 Q HN 0.535 nan 8.270 nan 0.000 0.420 760 D N 2.749 123.147 120.400 -0.003 0.000 2.393 760 D HA 0.117 4.756 4.640 -0.001 0.000 0.232 760 D C -0.387 175.926 176.300 0.022 0.000 1.192 760 D CA 0.014 54.028 54.000 0.022 0.000 0.882 760 D CB 0.287 41.108 40.800 0.035 0.000 1.038 760 D HN 0.273 nan 8.370 nan 0.000 0.499 761 N N 3.517 122.229 118.700 0.021 0.000 2.576 761 N HA 0.336 5.076 4.740 -0.001 0.000 0.269 761 N C -1.649 173.890 175.510 0.049 0.000 1.058 761 N CA -0.393 52.672 53.050 0.024 0.000 0.860 761 N CB 0.580 39.068 38.487 0.001 0.000 1.249 761 N HN 0.198 nan 8.380 nan 0.000 0.525 762 L N 1.512 122.790 121.223 0.093 0.000 2.408 762 L HA 0.803 5.142 4.340 -0.001 0.000 0.268 762 L C 0.705 177.705 176.870 0.217 0.000 0.986 762 L CA -1.132 53.810 54.840 0.170 0.000 0.820 762 L CB 2.273 44.448 42.059 0.192 0.000 1.303 762 L HN 0.466 nan 8.230 nan 0.000 0.411 763 G N 1.795 110.818 108.800 0.371 0.000 2.597 763 G HA2 0.862 4.822 3.960 -0.001 0.000 0.317 763 G HA3 0.862 4.822 3.960 -0.001 0.000 0.317 763 G C -1.519 173.718 174.900 0.562 0.000 1.230 763 G CA -0.594 44.812 45.100 0.510 0.000 0.996 763 G HN 0.584 nan 8.290 nan 0.000 0.490 764 I N -0.917 119.934 120.570 0.469 0.000 2.842 764 I HA 0.647 4.816 4.170 -0.001 0.000 0.297 764 I C -1.358 174.645 176.117 -0.192 0.000 1.380 764 I CA -0.570 60.745 61.300 0.024 0.000 1.018 764 I CB 2.205 40.238 38.000 0.055 0.000 1.311 764 I HN 0.689 nan 8.210 nan 0.000 0.439 765 S N 6.121 121.441 115.700 -0.633 0.000 2.562 765 S HA 0.754 5.223 4.470 -0.001 0.000 0.274 765 S C -1.485 172.613 174.600 -0.837 0.000 1.160 765 S CA -0.501 56.963 58.200 -1.228 0.000 0.933 765 S CB 1.059 63.788 63.200 -0.785 0.000 1.100 765 S HN 0.610 nan 8.310 nan 0.000 0.468 766 F N 1.611 121.122 119.950 -0.732 0.000 2.629 766 F HA 0.953 5.479 4.527 -0.001 0.000 0.316 766 F C -0.301 175.357 175.800 -0.237 0.000 1.081 766 F CA -0.642 57.147 58.000 -0.352 0.000 0.954 766 F CB 1.250 40.129 39.000 -0.203 0.000 1.337 766 F HN 0.622 nan 8.300 nan 0.000 0.474 767 S N -0.010 115.686 115.700 -0.008 0.000 2.705 767 S HA 0.801 5.270 4.470 -0.001 0.000 0.280 767 S C -1.902 172.487 174.600 -0.350 0.000 1.174 767 S CA -0.766 57.362 58.200 -0.120 0.000 0.823 767 S CB 1.765 64.939 63.200 -0.043 0.000 1.162 767 S HN 0.562 nan 8.310 nan 0.000 0.487 768 F N 1.373 121.396 119.950 0.122 0.000 2.532 768 F HA 0.490 5.017 4.527 -0.001 0.000 0.365 768 F C -2.677 173.145 175.800 0.036 0.000 1.112 768 F CA -1.989 56.050 58.000 0.064 0.000 1.082 768 F CB 1.324 40.359 39.000 0.059 0.000 1.319 768 F HN 0.286 nan 8.300 nan 0.000 0.457 769 P HA 0.228 nan 4.420 nan 0.000 0.264 769 P C 0.906 178.259 177.300 0.090 0.000 1.236 769 P CA 0.759 63.916 63.100 0.094 0.000 0.811 769 P CB 0.527 32.258 31.700 0.053 0.000 0.840 770 G N 2.724 111.569 108.800 0.076 0.000 2.205 770 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.261 770 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.261 770 G C 0.040 174.968 174.900 0.046 0.000 0.980 770 G CA -0.157 44.974 45.100 0.051 0.000 0.632 770 G HN 0.598 nan 8.290 nan 0.000 0.533 771 L N 1.894 123.159 121.223 0.069 0.000 2.654 771 L HA 0.444 4.784 4.340 -0.001 0.000 0.271 771 L C 0.853 177.726 176.870 0.005 0.000 1.169 771 L CA 0.546 55.399 54.840 0.022 0.000 0.947 771 L CB 0.013 42.076 42.059 0.007 0.000 1.232 771 L HN 0.374 nan 8.230 nan 0.000 0.486 772 K N 3.375 123.767 120.400 -0.014 0.000 2.414 772 K HA 0.492 4.812 4.320 -0.001 0.000 0.251 772 K C 0.508 177.090 176.600 -0.030 0.000 1.037 772 K CA 0.026 56.306 56.287 -0.013 0.000 0.980 772 K CB 0.998 33.495 32.500 -0.004 0.000 1.280 772 K HN 0.618 nan 8.250 nan 0.000 0.451 773 S N 2.305 117.981 115.700 -0.040 0.000 1.540 773 S HA -0.226 4.243 4.470 -0.001 0.000 0.243 773 S C 0.003 174.552 174.600 -0.085 0.000 0.778 773 S CA 0.996 59.167 58.200 -0.049 0.000 1.286 773 S CB -1.360 61.822 63.200 -0.030 0.000 1.546 773 S HN 1.508 nan 8.310 nan 0.000 0.513 774 L N 0.882 122.048 121.223 -0.095 0.000 3.521 774 L HA -0.079 4.260 4.340 -0.001 0.000 0.653 774 L C -0.539 176.238 176.870 -0.155 0.000 1.077 774 L CA 1.489 56.248 54.840 -0.134 0.000 1.144 774 L CB -1.560 40.389 42.059 -0.185 0.000 1.447 774 L HN 0.890 nan 8.230 nan 0.000 0.811 775 L N 2.496 123.647 121.223 -0.120 0.000 2.334 775 L HA 0.889 5.229 4.340 -0.001 0.000 0.275 775 L C 0.144 176.946 176.870 -0.114 0.000 1.036 775 L CA -0.780 53.977 54.840 -0.137 0.000 0.807 775 L CB 1.561 43.596 42.059 -0.041 0.000 1.231 775 L HN 0.079 nan 8.230 nan 0.000 0.438 776 V N 3.835 123.660 119.914 -0.148 0.000 2.397 776 V HA 0.591 4.710 4.120 -0.001 0.000 0.262 776 V C 1.044 177.176 176.094 0.062 0.000 1.047 776 V CA 0.970 63.251 62.300 -0.033 0.000 1.003 776 V CB -0.589 31.265 31.823 0.053 0.000 1.037 776 V HN 1.225 nan 8.190 nan 0.000 0.480 777 G N 4.192 113.015 108.800 0.039 0.000 3.532 777 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.196 777 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.196 777 G C 0.378 175.294 174.900 0.026 0.000 2.074 777 G CA 0.120 45.249 45.100 0.049 0.000 1.323 777 G HN 0.614 nan 8.290 nan 0.000 0.439 778 S N 0.693 116.404 115.700 0.018 0.000 2.655 778 S HA 0.493 4.962 4.470 -0.001 0.000 0.265 778 S C 0.538 175.128 174.600 -0.017 0.000 1.240 778 S CA 0.368 58.569 58.200 0.002 0.000 0.986 778 S CB 0.460 63.663 63.200 0.004 0.000 0.985 778 S HN 0.911 nan 8.310 nan 0.000 0.562 779 N N -0.046 118.640 118.700 -0.022 0.000 2.708 779 N HA -0.171 4.569 4.740 -0.001 0.000 0.255 779 N C 0.249 175.737 175.510 -0.037 0.000 1.046 779 N CA 0.335 53.362 53.050 -0.038 0.000 0.715 779 N CB -1.271 37.178 38.487 -0.062 0.000 0.895 779 N HN 0.505 nan 8.380 nan 0.000 0.545 780 L N 0.468 121.678 121.223 -0.021 0.000 2.007 780 L HA -0.079 4.261 4.340 -0.001 0.000 0.205 780 L C 1.388 178.249 176.870 -0.016 0.000 1.073 780 L CA 1.244 56.076 54.840 -0.013 0.000 0.744 780 L CB 0.013 42.069 42.059 -0.005 0.000 0.898 780 L HN 0.430 nan 8.230 nan 0.000 0.435 781 E N 0.748 120.937 120.200 -0.019 0.000 2.354 781 E HA 0.240 4.590 4.350 -0.001 0.000 0.269 781 E C -0.896 175.696 176.600 -0.013 0.000 1.036 781 E CA -0.541 55.849 56.400 -0.016 0.000 0.876 781 E CB 1.309 30.994 29.700 -0.025 0.000 1.009 781 E HN 0.103 nan 8.360 nan 0.000 0.416 782 L N 3.763 124.995 121.223 0.017 0.000 2.345 782 L HA 0.331 4.670 4.340 -0.001 0.000 0.274 782 L C -1.450 175.493 176.870 0.122 0.000 0.999 782 L CA -0.746 54.102 54.840 0.015 0.000 0.849 782 L CB 1.082 43.115 42.059 -0.044 0.000 1.220 782 L HN 0.497 nan 8.230 nan 0.000 0.422 783 N N 4.417 123.192 118.700 0.125 0.000 2.401 783 N HA 0.503 5.243 4.740 -0.001 0.000 0.255 783 N C -0.400 175.282 175.510 0.287 0.000 1.110 783 N CA -0.068 53.074 53.050 0.153 0.000 0.949 783 N CB 1.557 40.097 38.487 0.088 0.000 1.110 783 N HN 0.632 nan 8.380 nan 0.000 0.490 784 A N 1.940 124.860 122.820 0.168 0.000 2.287 784 A HA 0.299 4.619 4.320 -0.001 0.000 0.317 784 A C 0.023 177.513 177.584 -0.157 0.000 1.220 784 A CA -0.745 51.254 52.037 -0.064 0.000 0.835 784 A CB 0.668 19.546 19.000 -0.204 0.000 1.180 784 A HN 0.633 nan 8.150 nan 0.000 0.500 785 E N 2.868 122.955 120.200 -0.188 0.000 2.028 785 E HA 0.394 4.744 4.350 -0.001 0.000 0.266 785 E C -1.365 175.091 176.600 -0.240 0.000 0.962 785 E CA -0.271 56.013 56.400 -0.194 0.000 0.784 785 E CB 1.009 30.636 29.700 -0.122 0.000 1.114 785 E HN 0.459 nan 8.360 nan 0.000 0.414 786 V N 6.377 126.054 119.914 -0.396 0.000 2.370 786 V HA 0.384 4.503 4.120 -0.001 0.000 0.279 786 V C -0.287 175.518 176.094 -0.481 0.000 1.029 786 V CA -0.424 61.640 62.300 -0.392 0.000 0.870 786 V CB 1.363 32.916 31.823 -0.450 0.000 0.984 786 V HN 0.808 nan 8.190 nan 0.000 0.451 787 M N 6.669 126.025 119.600 -0.406 0.000 2.528 787 M HA 0.763 5.243 4.480 -0.001 0.000 0.318 787 M C -1.429 174.514 176.300 -0.595 0.000 1.195 787 M CA -0.411 54.609 55.300 -0.466 0.000 1.000 787 M CB 1.946 34.246 32.600 -0.500 0.000 1.615 787 M HN 0.568 nan 8.290 nan 0.000 0.469 788 V N 3.070 122.619 119.914 -0.610 0.000 3.077 788 V HA 0.578 4.697 4.120 -0.001 0.000 0.299 788 V C -1.938 173.975 176.094 -0.302 0.000 1.276 788 V CA -0.513 61.502 62.300 -0.474 0.000 0.993 788 V CB 2.495 34.237 31.823 -0.134 0.000 1.076 788 V HN 0.939 nan 8.190 nan 0.000 0.434 789 W N 2.601 124.035 121.300 0.223 0.000 2.671 789 W HA 0.556 5.216 4.660 -0.000 0.000 0.360 789 W C -0.214 176.396 176.519 0.151 0.000 1.128 789 W CA -0.687 56.772 57.345 0.191 0.000 1.184 789 W CB 1.742 31.237 29.460 0.058 0.000 1.415 789 W HN 0.641 nan 8.180 nan 0.000 0.604 790 N N 1.065 119.841 118.700 0.125 0.000 2.716 790 N HA 0.079 4.818 4.740 -0.001 0.000 0.245 790 N C -0.779 174.666 175.510 -0.108 0.000 1.495 790 N CA 0.006 52.940 53.050 -0.193 0.000 0.759 790 N CB -0.020 37.916 38.487 -0.918 0.000 1.261 790 N HN 0.110 nan 8.380 nan 0.000 0.515 791 D N 0.153 120.545 120.400 -0.013 0.000 2.325 791 D HA 0.260 4.900 4.640 -0.001 0.000 0.234 791 D C 0.785 177.067 176.300 -0.030 0.000 1.122 791 D CA 0.366 54.348 54.000 -0.030 0.000 0.850 791 D CB 0.397 41.169 40.800 -0.046 0.000 0.921 791 D HN 0.581 nan 8.370 nan 0.000 0.513 792 G N -0.474 108.305 108.800 -0.035 0.000 3.135 792 G HA2 0.317 4.277 3.960 -0.001 0.000 0.278 792 G HA3 0.317 4.277 3.960 -0.001 0.000 0.278 792 G C -0.623 174.273 174.900 -0.006 0.000 1.302 792 G CA -0.503 44.591 45.100 -0.009 0.000 0.880 792 G HN -0.059 nan 8.290 nan 0.000 0.574 793 E N 0.333 120.556 120.200 0.039 0.000 2.459 793 E HA 0.112 4.462 4.350 -0.001 0.000 0.264 793 E C -0.393 176.215 176.600 0.015 0.000 1.055 793 E CA 0.016 56.457 56.400 0.068 0.000 0.957 793 E CB 0.268 30.026 29.700 0.097 0.000 0.952 793 E HN 0.244 nan 8.360 nan 0.000 0.448 794 D N 1.483 121.890 120.400 0.013 0.000 2.487 794 D HA 0.039 4.679 4.640 -0.001 0.000 0.243 794 D C -0.583 175.727 176.300 0.017 0.000 1.154 794 D CA 0.336 54.293 54.000 -0.071 0.000 0.876 794 D CB 0.306 41.020 40.800 -0.144 0.000 1.161 794 D HN 0.349 nan 8.370 nan 0.000 0.478 795 S N 2.109 117.798 115.700 -0.018 0.000 2.475 795 S HA 0.311 4.781 4.470 -0.001 0.000 0.281 795 S C 0.231 174.874 174.600 0.072 0.000 1.198 795 S CA -0.558 57.710 58.200 0.113 0.000 1.063 795 S CB 0.849 64.146 63.200 0.163 0.000 0.972 795 S HN 0.350 nan 8.310 nan 0.000 0.486 796 Y N 3.257 123.615 120.300 0.096 0.000 2.296 796 Y HA 0.359 4.908 4.550 -0.001 0.000 0.271 796 Y C 2.388 178.337 175.900 0.081 0.000 1.102 796 Y CA 0.940 59.092 58.100 0.087 0.000 1.147 796 Y CB -0.640 37.862 38.460 0.070 0.000 1.070 796 Y HN 0.799 nan 8.280 nan 0.000 0.495 797 G N 0.161 109.116 108.800 0.258 0.000 3.530 797 G HA2 0.050 4.010 3.960 -0.001 0.000 0.269 797 G HA3 0.050 4.010 3.960 -0.001 0.000 0.269 797 G C 0.102 175.067 174.900 0.109 0.000 1.314 797 G CA -0.052 45.140 45.100 0.154 0.000 1.441 797 G HN 0.157 nan 8.290 nan 0.000 0.595 798 T N 1.146 115.764 114.554 0.108 0.000 2.905 798 T HA 0.300 4.649 4.350 -0.001 0.000 0.299 798 T C 0.841 175.550 174.700 0.015 0.000 1.024 798 T CA 0.825 62.976 62.100 0.084 0.000 1.151 798 T CB 0.203 69.145 68.868 0.123 0.000 0.987 798 T HN 0.462 nan 8.240 nan 0.000 0.535 799 T N 3.193 117.756 114.554 0.016 0.000 2.885 799 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 799 T C -0.747 173.926 174.700 -0.044 0.000 1.019 799 T CA -1.062 61.025 62.100 -0.022 0.000 1.010 799 T CB 1.487 70.358 68.868 0.004 0.000 1.022 799 T HN 0.536 nan 8.240 nan 0.000 0.466 800 I N 3.027 123.542 120.570 -0.091 0.000 2.476 800 I HA 0.511 4.680 4.170 -0.001 0.000 0.281 800 I C -0.136 175.841 176.117 -0.233 0.000 1.040 800 I CA -0.232 60.976 61.300 -0.153 0.000 1.094 800 I CB 1.620 39.550 38.000 -0.116 0.000 1.219 800 I HN 1.061 nan 8.210 nan 0.000 0.450 801 T N 3.742 118.153 114.554 -0.239 0.000 2.895 801 T HA 0.743 5.092 4.350 -0.001 0.000 0.283 801 T C -0.485 174.043 174.700 -0.287 0.000 1.014 801 T CA -0.374 61.633 62.100 -0.155 0.000 1.037 801 T CB 0.981 69.833 68.868 -0.027 0.000 1.006 801 T HN 0.232 nan 8.240 nan 0.000 0.468 802 F N 1.146 121.157 119.950 0.102 0.000 2.538 802 F HA 0.641 5.167 4.527 -0.001 0.000 0.325 802 F C 0.780 176.625 175.800 0.074 0.000 1.066 802 F CA -0.897 57.164 58.000 0.102 0.000 0.946 802 F CB 2.301 41.370 39.000 0.116 0.000 1.199 802 F HN 0.814 nan 8.300 nan 0.000 0.473 803 S N 0.825 116.682 115.700 0.261 0.000 2.454 803 S HA 0.780 5.249 4.470 -0.001 0.000 0.306 803 S C -1.270 173.414 174.600 0.140 0.000 1.100 803 S CA -0.486 57.783 58.200 0.116 0.000 1.087 803 S CB 0.809 64.071 63.200 0.103 0.000 1.019 803 S HN 0.821 nan 8.310 nan 0.000 0.480 804 H N -0.063 119.090 119.070 0.139 0.000 3.046 804 H HA 0.741 5.297 4.556 -0.001 0.000 0.361 804 H C -3.382 172.120 175.328 0.289 0.000 1.235 804 H CA -2.001 54.117 56.048 0.117 0.000 1.146 804 H CB 0.585 30.330 29.762 -0.029 0.000 1.859 804 H HN 0.412 nan 8.280 nan 0.000 0.548 805 P HA 0.043 nan 4.420 nan 0.000 0.272 805 P C 0.609 178.213 177.300 0.507 0.000 1.230 805 P CA 0.198 63.486 63.100 0.312 0.000 0.788 805 P CB 0.897 32.712 31.700 0.192 0.000 0.949 806 A N 2.753 125.707 122.820 0.224 0.000 2.084 806 A HA -0.128 4.191 4.320 -0.001 0.000 0.221 806 A C 2.130 179.935 177.584 0.369 0.000 1.161 806 A CA 1.965 54.049 52.037 0.080 0.000 0.653 806 A CB -1.758 17.074 19.000 -0.280 0.000 0.802 806 A HN 0.684 nan 8.150 nan 0.000 0.457 807 G N -0.947 108.024 108.800 0.286 0.000 3.094 807 G HA2 0.357 4.317 3.960 -0.001 0.000 0.208 807 G HA3 0.357 4.317 3.960 -0.001 0.000 0.208 807 G C 0.164 175.202 174.900 0.229 0.000 1.189 807 G CA 0.880 46.109 45.100 0.216 0.000 0.856 807 G HN 0.905 nan 8.290 nan 0.000 0.510 808 L N -4.661 116.762 121.223 0.333 0.000 2.775 808 L HA 0.869 5.208 4.340 -0.001 0.000 0.263 808 L C -0.658 176.315 176.870 0.172 0.000 1.017 808 L CA -1.011 53.952 54.840 0.204 0.000 0.891 808 L CB 1.377 43.495 42.059 0.098 0.000 1.482 808 L HN -0.182 nan 8.230 nan 0.000 0.410 809 S N -1.109 114.646 115.700 0.091 0.000 2.671 809 S HA 0.576 5.045 4.470 -0.001 0.000 0.277 809 S C -1.813 172.656 174.600 -0.218 0.000 1.165 809 S CA -0.625 57.550 58.200 -0.041 0.000 0.822 809 S CB 1.364 64.573 63.200 0.015 0.000 1.150 809 S HN 0.760 nan 8.310 nan 0.000 0.479 810 Y N 2.803 122.776 120.300 -0.545 0.000 2.304 810 Y HA 0.592 5.141 4.550 -0.001 0.000 0.328 810 Y C 0.139 175.810 175.900 -0.381 0.000 1.123 810 Y CA -0.477 57.133 58.100 -0.816 0.000 1.218 810 Y CB 0.557 38.531 38.460 -0.810 0.000 1.207 810 Y HN 0.659 nan 8.280 nan 0.000 0.495 811 R N 5.183 125.032 120.500 -1.085 0.000 2.621 811 R HA 0.310 4.649 4.340 -0.001 0.000 0.292 811 R C -1.836 173.803 176.300 -1.102 0.000 0.969 811 R CA -0.941 54.651 56.100 -0.847 0.000 0.887 811 R CB 0.942 30.997 30.300 -0.409 0.000 1.180 811 R HN 0.713 nan 8.270 nan 0.000 0.450 812 Y N 3.116 122.958 120.300 -0.763 0.000 2.712 812 Y HA -0.066 4.483 4.550 -0.001 0.000 0.333 812 Y C 0.856 176.598 175.900 -0.265 0.000 1.225 812 Y CA 0.434 58.282 58.100 -0.421 0.000 1.499 812 Y CB 0.917 39.276 38.460 -0.168 0.000 1.288 812 Y HN 0.534 nan 8.280 nan 0.000 0.575 813 V N 5.101 124.561 119.914 -0.758 0.000 2.331 813 V HA -0.026 4.093 4.120 -0.001 0.000 0.242 813 V C 1.299 177.139 176.094 -0.424 0.000 1.034 813 V CA 1.089 63.103 62.300 -0.477 0.000 1.027 813 V CB -1.408 30.217 31.823 -0.331 0.000 0.667 813 V HN 1.164 nan 8.190 nan 0.000 0.457 814 A N 0.613 122.982 122.820 -0.752 0.000 2.578 814 A HA -0.202 4.118 4.320 -0.001 0.000 0.298 814 A C 0.300 177.867 177.584 -0.028 0.000 1.472 814 A CA 0.797 52.787 52.037 -0.078 0.000 0.734 814 A CB -1.594 17.625 19.000 0.365 0.000 1.091 814 A HN 0.540 nan 8.150 nan 0.000 0.426 815 E N -1.461 118.696 120.200 -0.072 0.000 2.243 815 E HA 0.718 5.067 4.350 -0.001 0.000 0.260 815 E C 1.085 177.685 176.600 0.001 0.000 0.985 815 E CA 0.254 56.635 56.400 -0.032 0.000 0.858 815 E CB 1.924 31.594 29.700 -0.050 0.000 1.210 815 E HN 0.719 nan 8.360 nan 0.000 0.411 816 G N -0.220 108.583 108.800 0.005 0.000 2.861 816 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.160 816 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.160 816 G C 0.701 175.609 174.900 0.013 0.000 1.570 816 G CA 0.018 45.128 45.100 0.016 0.000 0.925 816 G HN 0.423 nan 8.290 nan 0.000 0.754 817 Q N 0.538 120.344 119.800 0.011 0.000 2.436 817 Q HA 0.110 4.450 4.340 -0.001 0.000 0.209 817 Q C -0.365 175.643 176.000 0.012 0.000 0.965 817 Q CA 0.812 56.623 55.803 0.013 0.000 0.910 817 Q CB -0.033 28.712 28.738 0.012 0.000 0.980 817 Q HN 0.500 nan 8.270 nan 0.000 0.491 818 K N -0.421 119.985 120.400 0.010 0.000 2.664 818 K HA 0.293 4.612 4.320 -0.001 0.000 0.298 818 K C -1.550 175.055 176.600 0.008 0.000 1.152 818 K CA -0.339 55.954 56.287 0.010 0.000 1.038 818 K CB 0.751 33.257 32.500 0.011 0.000 1.342 818 K HN -0.127 nan 8.250 nan 0.000 0.496 819 Q N 1.204 121.009 119.800 0.008 0.000 2.327 819 Q HA 0.690 5.030 4.340 -0.001 0.000 0.265 819 Q C -0.780 175.223 176.000 0.004 0.000 0.993 819 Q CA -0.930 54.876 55.803 0.005 0.000 0.885 819 Q CB 2.717 31.456 28.738 0.002 0.000 1.379 819 Q HN 0.932 nan 8.270 nan 0.000 0.408 820 G N 0.784 109.587 108.800 0.004 0.000 2.344 820 G HA2 0.121 4.080 3.960 -0.001 0.000 0.282 820 G HA3 0.121 4.080 3.960 -0.001 0.000 0.282 820 G C -1.529 173.371 174.900 0.001 0.000 1.281 820 G CA -0.607 44.493 45.100 0.001 0.000 0.877 820 G HN 0.390 nan 8.290 nan 0.000 0.494 821 Q N -0.285 119.513 119.800 -0.002 0.000 2.333 821 Q HA 0.471 4.810 4.340 -0.001 0.000 0.365 821 Q C -0.384 175.613 176.000 -0.005 0.000 0.882 821 Q CA -0.186 55.616 55.803 -0.002 0.000 1.124 821 Q CB 1.162 29.898 28.738 -0.004 0.000 1.345 821 Q HN 0.436 nan 8.270 nan 0.000 0.409 822 L N -1.347 119.876 121.223 -0.000 0.000 3.060 822 L HA 0.540 4.880 4.340 -0.001 0.000 0.235 822 L C -0.764 176.116 176.870 0.017 0.000 1.868 822 L CA -0.765 54.075 54.840 -0.001 0.000 1.901 822 L CB 0.831 42.887 42.059 -0.005 0.000 2.022 822 L HN 0.075 nan 8.230 nan 0.000 0.554 823 R N -0.540 119.976 120.500 0.026 0.000 2.641 823 R HA 0.384 4.724 4.340 -0.001 0.000 0.269 823 R C -0.536 175.783 176.300 0.032 0.000 1.074 823 R CA 1.000 57.131 56.100 0.052 0.000 1.133 823 R CB 0.659 30.993 30.300 0.056 0.000 1.029 823 R HN 0.649 nan 8.270 nan 0.000 0.488 824 S N 2.920 118.640 115.700 0.034 0.000 2.874 824 S HA 0.226 4.696 4.470 -0.001 0.000 0.257 824 S C -0.929 173.701 174.600 0.050 0.000 0.975 824 S CA -0.492 57.729 58.200 0.036 0.000 1.326 824 S CB 0.529 63.745 63.200 0.026 0.000 1.215 824 S HN 0.451 nan 8.310 nan 0.000 0.679 825 L N 2.798 124.046 121.223 0.042 0.000 2.372 825 L HA 0.457 4.797 4.340 -0.001 0.000 0.273 825 L C -0.338 176.562 176.870 0.051 0.000 0.989 825 L CA -0.606 54.235 54.840 0.003 0.000 0.841 825 L CB 1.133 43.141 42.059 -0.086 0.000 1.225 825 L HN 0.299 nan 8.230 nan 0.000 0.414 826 H N 5.712 124.771 119.070 -0.018 0.000 2.944 826 H HA 0.388 4.944 4.556 -0.001 0.000 0.278 826 H C -1.268 174.013 175.328 -0.078 0.000 1.083 826 H CA -0.296 55.782 56.048 0.050 0.000 1.479 826 H CB 0.752 30.625 29.762 0.185 0.000 1.486 826 H HN 0.452 nan 8.280 nan 0.000 0.493 827 L N 2.743 123.806 121.223 -0.267 0.000 2.388 827 L HA 0.503 4.843 4.340 -0.001 0.000 0.264 827 L C -0.471 176.270 176.870 -0.216 0.000 0.998 827 L CA -0.885 53.811 54.840 -0.239 0.000 0.817 827 L CB 1.941 43.832 42.059 -0.280 0.000 1.338 827 L HN 0.227 nan 8.230 nan 0.000 0.414 828 T N 1.210 115.680 114.554 -0.141 0.000 2.758 828 T HA 0.592 4.941 4.350 -0.001 0.000 0.285 828 T C -0.668 174.003 174.700 -0.048 0.000 0.981 828 T CA -0.178 61.878 62.100 -0.073 0.000 0.965 828 T CB 0.525 69.387 68.868 -0.010 0.000 0.927 828 T HN 0.739 nan 8.240 nan 0.000 0.448 829 c N 3.189 121.782 118.600 -0.011 0.000 2.455 829 c HA 0.677 5.246 4.570 -0.001 0.000 0.320 829 c C -0.472 173.645 174.090 0.045 0.000 1.226 829 c CA -1.013 55.307 56.329 -0.014 0.000 1.569 829 c CB 1.053 43.504 42.510 -0.099 0.000 2.200 829 c HN 0.767 nan 8.230 nan 0.000 0.491 830 D N 1.692 122.119 120.400 0.044 0.000 2.542 830 D HA 0.335 4.975 4.640 -0.001 0.000 0.252 830 D C -0.137 176.191 176.300 0.047 0.000 1.222 830 D CA 0.113 54.151 54.000 0.064 0.000 0.895 830 D CB 1.741 42.591 40.800 0.084 0.000 1.207 830 D HN 0.678 nan 8.370 nan 0.000 0.558 831 S N 0.823 116.538 115.700 0.024 0.000 2.593 831 S HA 0.817 5.287 4.470 -0.001 0.000 0.269 831 S C 0.049 174.640 174.600 -0.014 0.000 1.334 831 S CA -0.570 57.588 58.200 -0.069 0.000 1.015 831 S CB 1.636 64.732 63.200 -0.173 0.000 0.912 831 S HN 0.604 nan 8.310 nan 0.000 0.541 832 A N 1.287 124.075 122.820 -0.054 0.000 2.585 832 A HA 0.644 4.964 4.320 -0.001 0.000 0.299 832 A C -3.316 174.487 177.584 0.365 0.000 1.047 832 A CA -1.328 50.814 52.037 0.174 0.000 0.723 832 A CB 0.726 19.805 19.000 0.133 0.000 1.275 832 A HN 0.638 nan 8.150 nan 0.000 0.408 833 P HA 0.423 nan 4.420 nan 0.000 0.276 833 P C 0.092 177.569 177.300 0.296 0.000 1.230 833 P CA 0.077 63.500 63.100 0.539 0.000 0.776 833 P CB 1.484 33.374 31.700 0.317 0.000 0.888 834 V N 2.993 123.065 119.914 0.264 0.000 3.671 834 V HA 0.270 4.389 4.120 -0.001 0.000 0.202 834 V C 1.522 177.678 176.094 0.104 0.000 1.188 834 V CA 1.055 63.447 62.300 0.154 0.000 1.325 834 V CB -0.982 30.921 31.823 0.133 0.000 1.470 834 V HN 0.674 nan 8.190 nan 0.000 0.520 835 G N -0.260 108.600 108.800 0.099 0.000 2.771 835 G HA2 0.126 4.085 3.960 -0.001 0.000 0.242 835 G HA3 0.126 4.085 3.960 -0.001 0.000 0.242 835 G C 1.282 176.206 174.900 0.040 0.000 1.233 835 G CA 0.721 45.858 45.100 0.061 0.000 0.858 835 G HN 0.307 nan 8.290 nan 0.000 0.591 836 S N -0.862 114.853 115.700 0.026 0.000 2.359 836 S HA -0.159 4.311 4.470 -0.001 0.000 0.223 836 S C 1.143 175.747 174.600 0.007 0.000 1.039 836 S CA 2.188 60.397 58.200 0.015 0.000 1.042 836 S CB -0.219 62.987 63.200 0.011 0.000 0.915 836 S HN 0.658 nan 8.310 nan 0.000 0.439 837 Q N -1.527 118.274 119.800 0.002 0.000 3.025 837 Q HA 0.443 4.783 4.340 -0.001 0.000 0.216 837 Q C -0.238 175.749 176.000 -0.022 0.000 0.828 837 Q CA 0.294 56.088 55.803 -0.015 0.000 0.806 837 Q CB 0.665 29.396 28.738 -0.011 0.000 1.423 837 Q HN 0.557 nan 8.270 nan 0.000 0.455 838 G N 1.375 110.146 108.800 -0.049 0.000 3.514 838 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.197 838 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.197 838 G C 0.104 174.962 174.900 -0.069 0.000 1.098 838 G CA 0.134 45.195 45.100 -0.066 0.000 0.884 838 G HN 0.634 nan 8.290 nan 0.000 0.433 839 T N -0.700 113.866 114.554 0.020 0.000 2.912 839 T HA 0.712 5.061 4.350 -0.001 0.000 0.280 839 T C -0.313 174.535 174.700 0.246 0.000 0.989 839 T CA 0.220 62.400 62.100 0.133 0.000 0.995 839 T CB 2.175 71.112 68.868 0.116 0.000 1.077 839 T HN 1.702 nan 8.240 nan 0.000 0.531 840 W N -0.996 120.216 121.300 -0.146 0.000 3.173 840 W HA 0.646 5.305 4.660 -0.001 0.000 0.313 840 W C -1.660 174.677 176.519 -0.303 0.000 1.228 840 W CA -1.374 55.884 57.345 -0.145 0.000 1.185 840 W CB 0.555 29.981 29.460 -0.056 0.000 1.390 840 W HN 0.844 nan 8.180 nan 0.000 0.568 841 S N 0.960 116.591 115.700 -0.115 0.000 2.509 841 S HA 0.772 5.241 4.470 -0.001 0.000 0.297 841 S C -0.460 174.084 174.600 -0.093 0.000 1.118 841 S CA -0.015 58.116 58.200 -0.115 0.000 1.074 841 S CB 0.806 64.016 63.200 0.018 0.000 1.038 841 S HN 0.735 nan 8.310 nan 0.000 0.498 842 T N 1.669 116.281 114.554 0.097 0.000 2.963 842 T HA 0.501 4.851 4.350 -0.001 0.000 0.343 842 T C 0.114 174.927 174.700 0.188 0.000 1.146 842 T CA -0.762 61.434 62.100 0.159 0.000 1.016 842 T CB 0.223 69.271 68.868 0.299 0.000 1.046 842 T HN 0.620 nan 8.240 nan 0.000 0.496 843 S N 1.391 117.144 115.700 0.089 0.000 2.585 843 S HA 0.524 4.993 4.470 -0.001 0.000 0.273 843 S C 0.016 174.627 174.600 0.018 0.000 1.339 843 S CA -0.759 57.472 58.200 0.052 0.000 1.028 843 S CB 0.433 63.655 63.200 0.036 0.000 0.906 843 S HN 0.853 nan 8.310 nan 0.000 0.528 844 c N 2.888 121.473 118.600 -0.024 0.000 3.171 844 c HA 0.412 4.981 4.570 -0.001 0.000 0.336 844 c C 0.085 174.104 174.090 -0.119 0.000 1.035 844 c CA -0.887 55.389 56.329 -0.090 0.000 1.361 844 c CB -0.375 42.053 42.510 -0.136 0.000 1.804 844 c HN 1.042 nan 8.230 nan 0.000 0.535 845 R N 2.028 122.479 120.500 -0.081 0.000 2.267 845 R HA 0.547 4.886 4.340 -0.001 0.000 0.319 845 R C -0.391 175.836 176.300 -0.121 0.000 1.067 845 R CA -0.310 55.745 56.100 -0.075 0.000 0.936 845 R CB 0.624 30.919 30.300 -0.009 0.000 1.006 845 R HN 0.683 nan 8.270 nan 0.000 0.452 846 I N 4.447 124.911 120.570 -0.177 0.000 2.849 846 I HA -0.185 3.985 4.170 -0.001 0.000 0.288 846 I C 1.269 177.309 176.117 -0.129 0.000 1.156 846 I CA 0.117 61.284 61.300 -0.221 0.000 1.394 846 I CB -0.383 37.452 38.000 -0.275 0.000 1.462 846 I HN 0.789 nan 8.210 nan 0.000 0.587 847 N N 5.209 123.849 118.700 -0.100 0.000 2.002 847 N HA -0.239 4.501 4.740 -0.001 0.000 0.199 847 N C 0.957 176.498 175.510 0.051 0.000 1.067 847 N CA 1.911 54.977 53.050 0.025 0.000 0.870 847 N CB -0.081 38.520 38.487 0.189 0.000 1.073 847 N HN 0.722 nan 8.380 nan 0.000 0.432 848 H N -1.017 118.102 119.070 0.081 0.000 2.351 848 H HA 0.590 5.145 4.556 -0.001 0.000 0.232 848 H C -0.782 174.569 175.328 0.039 0.000 1.452 848 H CA -0.891 55.189 56.048 0.054 0.000 1.236 848 H CB -0.378 29.400 29.762 0.027 0.000 1.579 848 H HN 0.202 nan 8.280 nan 0.000 0.535 849 L N -2.437 118.804 121.223 0.030 0.000 3.172 849 L HA 0.442 4.782 4.340 -0.001 0.000 0.278 849 L C -1.603 175.276 176.870 0.013 0.000 0.979 849 L CA -1.245 53.623 54.840 0.047 0.000 1.017 849 L CB 0.670 42.753 42.059 0.039 0.000 1.540 849 L HN 0.116 nan 8.230 nan 0.000 0.392 850 I N 0.895 121.461 120.570 -0.006 0.000 2.566 850 I HA 0.455 4.625 4.170 -0.001 0.000 0.303 850 I C -1.020 175.112 176.117 0.026 0.000 0.983 850 I CA -0.240 61.008 61.300 -0.088 0.000 1.235 850 I CB 1.665 39.506 38.000 -0.265 0.000 1.386 850 I HN 0.618 nan 8.210 nan 0.000 0.494 851 F N 5.268 125.103 119.950 -0.192 0.000 2.359 851 F HA 0.474 5.001 4.527 -0.001 0.000 0.369 851 F C 0.058 175.783 175.800 -0.125 0.000 1.084 851 F CA -0.713 57.216 58.000 -0.118 0.000 1.096 851 F CB 0.306 39.261 39.000 -0.075 0.000 1.335 851 F HN 0.430 nan 8.300 nan 0.000 0.457 852 R N 3.141 123.551 120.500 -0.150 0.000 2.643 852 R HA 0.635 4.974 4.340 -0.001 0.000 0.272 852 R C 0.582 176.721 176.300 -0.269 0.000 0.995 852 R CA -0.045 55.922 56.100 -0.222 0.000 1.032 852 R CB 1.438 31.660 30.300 -0.129 0.000 1.126 852 R HN 0.840 nan 8.270 nan 0.000 0.505 853 G N 0.469 109.148 108.800 -0.202 0.000 2.606 853 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.285 853 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.285 853 G C 0.570 175.356 174.900 -0.191 0.000 1.311 853 G CA -0.085 44.924 45.100 -0.151 0.000 0.922 853 G HN 0.792 nan 8.290 nan 0.000 0.559 854 G N 0.090 108.828 108.800 -0.103 0.000 3.332 854 G HA2 0.600 4.560 3.960 -0.001 0.000 0.242 854 G HA3 0.600 4.560 3.960 -0.001 0.000 0.242 854 G C 0.713 175.599 174.900 -0.023 0.000 1.276 854 G CA 1.302 46.365 45.100 -0.062 0.000 0.988 854 G HN 1.764 nan 8.290 nan 0.000 0.517 855 A N 0.485 123.258 122.820 -0.078 0.000 2.440 855 A HA 0.562 4.881 4.320 -0.001 0.000 0.251 855 A C 0.457 178.155 177.584 0.189 0.000 1.089 855 A CA -0.414 51.649 52.037 0.044 0.000 0.779 855 A CB 0.330 19.370 19.000 0.066 0.000 1.022 855 A HN 0.582 nan 8.150 nan 0.000 0.492 856 Q N 1.300 121.244 119.800 0.240 0.000 2.257 856 Q HA 0.798 5.137 4.340 -0.001 0.000 0.262 856 Q C -0.705 175.405 176.000 0.183 0.000 0.997 856 Q CA -0.738 55.217 55.803 0.253 0.000 0.873 856 Q CB 1.633 30.427 28.738 0.094 0.000 1.312 856 Q HN 0.836 nan 8.270 nan 0.000 0.450 857 I N -1.817 118.779 120.570 0.044 0.000 2.802 857 I HA 0.658 4.828 4.170 -0.001 0.000 0.298 857 I C -1.190 174.875 176.117 -0.088 0.000 1.176 857 I CA -0.844 60.426 61.300 -0.050 0.000 1.025 857 I CB 2.759 40.664 38.000 -0.159 0.000 1.243 857 I HN 0.783 nan 8.210 nan 0.000 0.424 858 T N 2.046 116.573 114.554 -0.045 0.000 2.848 858 T HA 0.783 5.132 4.350 -0.001 0.000 0.285 858 T C -0.740 173.978 174.700 0.030 0.000 0.995 858 T CA -0.533 61.519 62.100 -0.081 0.000 0.970 858 T CB 1.395 70.190 68.868 -0.122 0.000 0.976 858 T HN 0.709 nan 8.240 nan 0.000 0.441 859 F N 1.079 120.966 119.950 -0.105 0.000 2.640 859 F HA 0.853 5.379 4.527 -0.001 0.000 0.324 859 F C -1.694 174.076 175.800 -0.050 0.000 1.077 859 F CA -2.034 55.919 58.000 -0.079 0.000 0.965 859 F CB 1.494 40.440 39.000 -0.090 0.000 1.351 859 F HN 0.668 nan 8.300 nan 0.000 0.487 860 L N 2.133 123.400 121.223 0.073 0.000 2.333 860 L HA 0.869 5.209 4.340 -0.001 0.000 0.280 860 L C -1.103 175.849 176.870 0.136 0.000 1.004 860 L CA -0.771 54.063 54.840 -0.010 0.000 0.820 860 L CB 1.414 43.468 42.059 -0.010 0.000 1.247 860 L HN 1.036 nan 8.230 nan 0.000 0.416 861 A N 3.266 126.144 122.820 0.097 0.000 2.335 861 A HA 0.713 5.032 4.320 -0.001 0.000 0.304 861 A C -0.595 177.103 177.584 0.190 0.000 1.118 861 A CA -0.396 51.787 52.037 0.243 0.000 0.757 861 A CB 1.395 20.494 19.000 0.164 0.000 1.188 861 A HN 0.596 nan 8.150 nan 0.000 0.460 862 T N 2.390 117.017 114.554 0.122 0.000 2.794 862 T HA 0.604 4.953 4.350 -0.001 0.000 0.280 862 T C -1.080 173.520 174.700 -0.165 0.000 0.987 862 T CA 0.180 62.294 62.100 0.024 0.000 0.993 862 T CB 0.181 69.009 68.868 -0.067 0.000 0.939 862 T HN 0.329 nan 8.240 nan 0.000 0.449 863 F N 2.329 122.229 119.950 -0.082 0.000 2.403 863 F HA 0.328 4.855 4.527 -0.001 0.000 0.355 863 F C 0.524 176.258 175.800 -0.110 0.000 1.119 863 F CA -1.364 56.563 58.000 -0.122 0.000 1.007 863 F CB 0.939 39.828 39.000 -0.185 0.000 1.194 863 F HN 0.385 nan 8.300 nan 0.000 0.443 864 D N 2.275 122.679 120.400 0.007 0.000 2.424 864 D HA 0.179 4.819 4.640 -0.001 0.000 0.244 864 D C -0.481 175.849 176.300 0.051 0.000 1.134 864 D CA 0.368 54.373 54.000 0.007 0.000 0.881 864 D CB 1.869 42.654 40.800 -0.025 0.000 1.191 864 D HN 0.256 nan 8.370 nan 0.000 0.445 865 V N 2.062 121.998 119.914 0.037 0.000 2.540 865 V HA 0.312 4.431 4.120 -0.001 0.000 0.302 865 V C -0.089 176.035 176.094 0.050 0.000 1.035 865 V CA -0.648 61.680 62.300 0.047 0.000 0.873 865 V CB 1.869 33.699 31.823 0.012 0.000 0.992 865 V HN 0.691 nan 8.190 nan 0.000 0.428 866 S N 6.543 122.287 115.700 0.074 0.000 2.564 866 S HA 0.355 4.824 4.470 -0.001 0.000 0.278 866 S C -1.783 172.862 174.600 0.074 0.000 1.333 866 S CA -0.655 57.590 58.200 0.074 0.000 1.048 866 S CB 1.138 64.391 63.200 0.089 0.000 0.900 866 S HN 0.669 nan 8.310 nan 0.000 0.505 867 P HA 0.004 nan 4.420 nan 0.000 0.222 867 P C 0.316 177.681 177.300 0.108 0.000 1.147 867 P CA 1.099 64.247 63.100 0.079 0.000 0.790 867 P CB 0.085 31.824 31.700 0.065 0.000 0.780 868 K N -0.039 120.421 120.400 0.099 0.000 3.045 868 K HA 0.450 4.770 4.320 -0.001 0.000 0.214 868 K C -0.640 176.028 176.600 0.113 0.000 1.213 868 K CA -0.570 55.779 56.287 0.103 0.000 1.111 868 K CB -0.230 32.312 32.500 0.070 0.000 1.454 868 K HN -0.134 nan 8.250 nan 0.000 0.498 869 A N 1.956 124.868 122.820 0.152 0.000 2.376 869 A HA 0.240 4.560 4.320 -0.001 0.000 0.298 869 A C -0.114 177.579 177.584 0.181 0.000 1.271 869 A CA -0.493 51.633 52.037 0.149 0.000 0.926 869 A CB 0.295 19.373 19.000 0.129 0.000 1.141 869 A HN 0.283 nan 8.150 nan 0.000 0.539 870 V N 4.771 124.756 119.914 0.118 0.000 2.421 870 V HA 0.366 4.486 4.120 -0.001 0.000 0.271 870 V C -0.091 176.068 176.094 0.107 0.000 1.031 870 V CA 0.434 62.790 62.300 0.093 0.000 1.032 870 V CB -0.694 31.155 31.823 0.044 0.000 1.009 870 V HN 0.841 nan 8.190 nan 0.000 0.477 871 L N 3.573 124.882 121.223 0.143 0.000 2.672 871 L HA 0.881 5.220 4.340 -0.001 0.000 0.256 871 L C 0.155 177.109 176.870 0.140 0.000 0.946 871 L CA -0.443 54.472 54.840 0.125 0.000 0.889 871 L CB 0.868 42.996 42.059 0.115 0.000 1.441 871 L HN 0.512 nan 8.230 nan 0.000 0.418 872 G N 0.310 109.164 108.800 0.090 0.000 2.794 872 G HA2 0.211 4.171 3.960 -0.001 0.000 0.249 872 G HA3 0.211 4.171 3.960 -0.001 0.000 0.249 872 G C 0.453 175.411 174.900 0.096 0.000 1.236 872 G CA 0.434 45.580 45.100 0.076 0.000 0.880 872 G HN 1.090 nan 8.290 nan 0.000 0.586 873 D N -1.317 119.127 120.400 0.072 0.000 2.384 873 D HA -0.076 4.563 4.640 -0.001 0.000 0.222 873 D C 0.851 177.164 176.300 0.021 0.000 0.976 873 D CA 0.830 54.868 54.000 0.062 0.000 0.915 873 D CB 0.089 40.909 40.800 0.033 0.000 0.896 873 D HN 0.389 nan 8.370 nan 0.000 0.523 874 R N -0.344 120.168 120.500 0.021 0.000 2.651 874 R HA 0.583 4.923 4.340 -0.001 0.000 0.278 874 R C -1.150 175.158 176.300 0.014 0.000 1.010 874 R CA -1.080 55.023 56.100 0.005 0.000 0.896 874 R CB 2.022 32.328 30.300 0.009 0.000 1.211 874 R HN 0.060 nan 8.270 nan 0.000 0.456 875 L N 0.730 121.954 121.223 0.002 0.000 2.381 875 L HA 0.643 4.982 4.340 -0.001 0.000 0.274 875 L C -0.891 175.998 176.870 0.033 0.000 0.988 875 L CA -0.942 53.909 54.840 0.019 0.000 0.824 875 L CB 1.456 43.514 42.059 -0.001 0.000 1.263 875 L HN 0.526 nan 8.230 nan 0.000 0.410 876 L N 2.874 124.130 121.223 0.056 0.000 2.332 876 L HA 1.010 5.350 4.340 -0.001 0.000 0.269 876 L C -0.818 176.115 176.870 0.106 0.000 1.016 876 L CA -0.910 53.977 54.840 0.077 0.000 0.809 876 L CB 1.702 43.795 42.059 0.058 0.000 1.280 876 L HN 0.815 nan 8.230 nan 0.000 0.447 877 L N -1.694 119.619 121.223 0.151 0.000 2.591 877 L HA 0.909 5.248 4.340 -0.001 0.000 0.257 877 L C -0.273 176.772 176.870 0.290 0.000 0.935 877 L CA -0.131 54.817 54.840 0.180 0.000 0.873 877 L CB 1.386 43.507 42.059 0.104 0.000 1.397 877 L HN 1.004 nan 8.230 nan 0.000 0.414 878 T N -0.883 113.842 114.554 0.284 0.000 2.841 878 T HA 0.976 5.325 4.350 -0.001 0.000 0.276 878 T C -0.274 174.675 174.700 0.415 0.000 1.003 878 T CA -0.368 61.930 62.100 0.329 0.000 0.995 878 T CB 1.892 70.865 68.868 0.176 0.000 1.260 878 T HN 1.826 nan 8.240 nan 0.000 0.581 879 A N 1.856 124.879 122.820 0.339 0.000 2.768 879 A HA 0.560 4.880 4.320 -0.001 0.000 0.298 879 A C -0.785 176.834 177.584 0.058 0.000 1.159 879 A CA -0.890 51.209 52.037 0.103 0.000 0.783 879 A CB -0.074 19.095 19.000 0.281 0.000 1.333 879 A HN 0.679 nan 8.150 nan 0.000 0.412 880 N N 0.499 119.196 118.700 -0.005 0.000 2.497 880 N HA 0.353 5.093 4.740 -0.001 0.000 0.268 880 N C -0.546 174.954 175.510 -0.018 0.000 1.171 880 N CA 0.150 53.209 53.050 0.015 0.000 0.948 880 N CB 1.767 40.265 38.487 0.018 0.000 1.069 880 N HN 0.467 nan 8.380 nan 0.000 0.460 881 V N 1.379 121.313 119.914 0.033 0.000 2.588 881 V HA 0.795 4.914 4.120 -0.001 0.000 0.304 881 V C -0.603 175.532 176.094 0.068 0.000 1.042 881 V CA -0.235 62.090 62.300 0.041 0.000 0.877 881 V CB 1.320 33.187 31.823 0.073 0.000 0.996 881 V HN 0.925 nan 8.190 nan 0.000 0.425 882 S N 3.888 119.628 115.700 0.067 0.000 2.688 882 S HA 0.739 5.208 4.470 -0.001 0.000 0.275 882 S C -0.363 174.293 174.600 0.093 0.000 1.175 882 S CA -0.087 58.160 58.200 0.079 0.000 0.818 882 S CB 1.622 64.859 63.200 0.062 0.000 1.157 882 S HN 1.600 nan 8.310 nan 0.000 0.482 883 S N -0.382 115.377 115.700 0.099 0.000 2.707 883 S HA 0.428 4.898 4.470 -0.001 0.000 0.276 883 S C 0.931 175.598 174.600 0.111 0.000 1.179 883 S CA -0.089 58.182 58.200 0.119 0.000 0.992 883 S CB 0.782 64.057 63.200 0.126 0.000 1.030 883 S HN 0.962 nan 8.310 nan 0.000 0.554 884 E N 0.617 120.899 120.200 0.136 0.000 2.160 884 E HA -0.199 4.150 4.350 -0.001 0.000 0.195 884 E C 0.299 176.964 176.600 0.109 0.000 0.991 884 E CA 1.045 57.522 56.400 0.128 0.000 0.810 884 E CB -0.298 29.498 29.700 0.160 0.000 0.742 884 E HN 0.598 nan 8.360 nan 0.000 0.466 885 N N 2.027 120.791 118.700 0.106 0.000 2.482 885 N HA -0.001 4.739 4.740 -0.001 0.000 0.220 885 N C -0.585 174.963 175.510 0.064 0.000 1.255 885 N CA 0.147 53.245 53.050 0.079 0.000 0.850 885 N CB -0.377 38.154 38.487 0.073 0.000 1.127 885 N HN 0.196 nan 8.380 nan 0.000 0.475 886 N N -0.588 118.153 118.700 0.068 0.000 5.925 886 N HA -0.188 4.552 4.740 -0.001 0.000 0.361 886 N C -0.336 175.204 175.510 0.051 0.000 0.922 886 N CA 1.310 54.394 53.050 0.058 0.000 1.177 886 N CB -0.883 37.635 38.487 0.052 0.000 0.806 886 N HN 0.340 nan 8.380 nan 0.000 0.456 887 T N -2.345 112.235 114.554 0.043 0.000 3.042 887 T HA 0.582 4.932 4.350 -0.001 0.000 0.356 887 T C -1.942 172.776 174.700 0.028 0.000 1.233 887 T CA -1.284 60.839 62.100 0.038 0.000 1.038 887 T CB 1.472 70.362 68.868 0.038 0.000 1.089 887 T HN 0.207 nan 8.240 nan 0.000 0.531 888 P HA 0.110 nan 4.420 nan 0.000 0.230 888 P C 0.614 177.920 177.300 0.010 0.000 1.158 888 P CA 0.519 63.628 63.100 0.015 0.000 0.769 888 P CB 0.380 32.086 31.700 0.010 0.000 0.807 889 R N -2.912 117.596 120.500 0.013 0.000 3.404 889 R HA 0.417 4.756 4.340 -0.001 0.000 0.243 889 R C 0.975 177.282 176.300 0.012 0.000 1.474 889 R CA -0.511 55.594 56.100 0.009 0.000 1.018 889 R CB -0.237 30.066 30.300 0.003 0.000 1.568 889 R HN -0.361 nan 8.270 nan 0.000 0.498 890 T N 0.203 114.763 114.554 0.009 0.000 2.815 890 T HA -0.010 4.339 4.350 -0.001 0.000 0.244 890 T C 0.716 175.424 174.700 0.013 0.000 1.040 890 T CA 0.775 62.880 62.100 0.009 0.000 1.176 890 T CB -0.115 68.756 68.868 0.005 0.000 0.880 890 T HN 0.321 nan 8.240 nan 0.000 0.414 891 S N 2.557 118.265 115.700 0.014 0.000 2.430 891 S HA 0.294 4.764 4.470 -0.001 0.000 0.289 891 S C -0.257 174.359 174.600 0.026 0.000 1.143 891 S CA -0.841 57.370 58.200 0.017 0.000 1.067 891 S CB 0.012 63.220 63.200 0.013 0.000 0.964 891 S HN 0.051 nan 8.310 nan 0.000 0.485 892 K N 2.832 123.251 120.400 0.031 0.000 2.319 892 K HA 0.079 4.399 4.320 -0.001 0.000 0.265 892 K C 0.651 177.283 176.600 0.054 0.000 1.000 892 K CA -0.005 56.308 56.287 0.042 0.000 0.943 892 K CB 0.460 32.985 32.500 0.043 0.000 0.950 892 K HN 0.596 nan 8.250 nan 0.000 0.485 893 T N 1.286 115.882 114.554 0.069 0.000 3.315 893 T HA 0.098 4.448 4.350 -0.001 0.000 0.275 893 T C -0.324 174.452 174.700 0.125 0.000 1.598 893 T CA -0.584 61.572 62.100 0.094 0.000 1.368 893 T CB -0.673 68.257 68.868 0.105 0.000 1.079 893 T HN 0.588 nan 8.240 nan 0.000 0.703 894 T N 0.618 115.240 114.554 0.115 0.000 2.889 894 T HA 0.606 4.956 4.350 -0.001 0.000 0.291 894 T C -0.590 174.222 174.700 0.187 0.000 0.995 894 T CA -0.784 61.398 62.100 0.137 0.000 1.092 894 T CB 0.938 69.861 68.868 0.092 0.000 0.954 894 T HN 0.332 nan 8.240 nan 0.000 0.506 895 F N 3.667 123.657 119.950 0.067 0.000 2.507 895 F HA 0.468 4.995 4.527 -0.001 0.000 0.328 895 F C -0.347 175.474 175.800 0.036 0.000 1.136 895 F CA -0.721 57.280 58.000 0.001 0.000 0.930 895 F CB 1.647 40.594 39.000 -0.089 0.000 1.166 895 F HN 0.912 nan 8.300 nan 0.000 0.436 896 Q N 5.863 125.205 119.800 -0.764 0.000 2.458 896 Q HA 0.844 5.183 4.340 -0.001 0.000 0.282 896 Q C -2.031 173.560 176.000 -0.681 0.000 1.106 896 Q CA -1.272 54.264 55.803 -0.446 0.000 0.814 896 Q CB 3.102 31.754 28.738 -0.144 0.000 1.425 896 Q HN 0.777 nan 8.270 nan 0.000 0.437 897 L N -2.712 118.386 121.223 -0.208 0.000 2.556 897 L HA 0.643 4.983 4.340 -0.001 0.000 0.257 897 L C -1.360 175.547 176.870 0.062 0.000 0.955 897 L CA -0.745 54.037 54.840 -0.097 0.000 0.850 897 L CB 2.305 44.334 42.059 -0.050 0.000 1.398 897 L HN 0.848 nan 8.230 nan 0.000 0.412 898 E N 2.038 122.260 120.200 0.036 0.000 2.187 898 E HA 0.754 5.103 4.350 -0.001 0.000 0.268 898 E C -1.642 174.984 176.600 0.044 0.000 0.896 898 E CA -0.717 55.709 56.400 0.043 0.000 0.766 898 E CB 1.759 31.469 29.700 0.017 0.000 1.142 898 E HN 0.755 nan 8.360 nan 0.000 0.408 899 L N 5.368 126.610 121.223 0.031 0.000 2.346 899 L HA 0.485 4.824 4.340 -0.001 0.000 0.276 899 L C -2.309 174.547 176.870 -0.024 0.000 1.006 899 L CA -2.430 52.412 54.840 0.002 0.000 0.817 899 L CB 1.962 44.000 42.059 -0.035 0.000 1.272 899 L HN 0.426 nan 8.230 nan 0.000 0.421 900 P HA 0.035 nan 4.420 nan 0.000 0.267 900 P C -0.861 176.389 177.300 -0.083 0.000 1.209 900 P CA 0.070 63.146 63.100 -0.041 0.000 0.763 900 P CB 0.987 32.669 31.700 -0.029 0.000 0.816 901 V N 4.944 124.795 119.914 -0.105 0.000 2.513 901 V HA 0.392 4.512 4.120 -0.001 0.000 0.299 901 V C -0.070 175.867 176.094 -0.262 0.000 1.035 901 V CA -0.413 61.761 62.300 -0.210 0.000 0.889 901 V CB 1.278 32.954 31.823 -0.245 0.000 0.988 901 V HN 0.458 nan 8.190 nan 0.000 0.440 902 K N 4.619 124.811 120.400 -0.347 0.000 2.246 902 K HA 0.683 5.003 4.320 -0.001 0.000 0.239 902 K C -1.892 174.366 176.600 -0.571 0.000 1.089 902 K CA -0.766 55.350 56.287 -0.286 0.000 0.892 902 K CB 1.980 34.436 32.500 -0.073 0.000 1.334 902 K HN 0.561 nan 8.250 nan 0.000 0.507 903 Y N -0.556 119.765 120.300 0.034 0.000 2.513 903 Y HA 0.407 4.957 4.550 -0.001 0.000 0.340 903 Y C -0.611 175.377 175.900 0.146 0.000 1.055 903 Y CA -1.161 56.993 58.100 0.089 0.000 1.020 903 Y CB 2.035 40.563 38.460 0.114 0.000 1.301 903 Y HN 0.668 nan 8.280 nan 0.000 0.453 904 A N 1.875 124.848 122.820 0.256 0.000 2.371 904 A HA 0.756 5.075 4.320 -0.001 0.000 0.257 904 A C -0.874 176.816 177.584 0.177 0.000 1.089 904 A CA -0.267 51.880 52.037 0.183 0.000 0.794 904 A CB 0.342 19.421 19.000 0.132 0.000 1.029 904 A HN 0.529 nan 8.150 nan 0.000 0.488 905 V N 1.350 121.341 119.914 0.129 0.000 2.969 905 V HA 0.263 4.383 4.120 -0.001 0.000 0.304 905 V C -1.528 174.618 176.094 0.086 0.000 1.192 905 V CA -0.413 61.915 62.300 0.046 0.000 0.962 905 V CB 1.988 33.730 31.823 -0.134 0.000 1.045 905 V HN 0.836 nan 8.190 nan 0.000 0.428 906 Y N 2.130 122.408 120.300 -0.037 0.000 2.402 906 Y HA 0.615 5.164 4.550 -0.001 0.000 0.332 906 Y C 0.151 176.057 175.900 0.010 0.000 0.960 906 Y CA -0.082 58.018 58.100 -0.001 0.000 1.228 906 Y CB 1.502 39.972 38.460 0.016 0.000 1.120 906 Y HN 0.673 nan 8.280 nan 0.000 0.491 907 T N 5.816 120.270 114.554 -0.167 0.000 2.864 907 T HA 0.518 4.868 4.350 -0.001 0.000 0.310 907 T C -0.887 173.781 174.700 -0.054 0.000 1.040 907 T CA -0.551 61.516 62.100 -0.056 0.000 0.977 907 T CB 0.675 69.484 68.868 -0.097 0.000 0.976 907 T HN 0.292 nan 8.240 nan 0.000 0.459 908 V N 3.140 123.071 119.914 0.029 0.000 2.864 908 V HA 0.839 4.959 4.120 -0.001 0.000 0.314 908 V C -0.595 175.545 176.094 0.077 0.000 1.073 908 V CA -0.830 61.523 62.300 0.088 0.000 0.956 908 V CB 2.317 34.255 31.823 0.191 0.000 1.023 908 V HN 0.622 nan 8.190 nan 0.000 0.435 909 V N 2.312 122.257 119.914 0.052 0.000 2.777 909 V HA 0.762 4.881 4.120 -0.001 0.000 0.306 909 V C -0.633 175.483 176.094 0.037 0.000 1.112 909 V CA 0.118 62.435 62.300 0.029 0.000 0.917 909 V CB 2.419 34.232 31.823 -0.016 0.000 1.018 909 V HN 0.993 nan 8.190 nan 0.000 0.426 910 S N 3.532 119.277 115.700 0.075 0.000 2.677 910 S HA 0.667 5.136 4.470 -0.001 0.000 0.304 910 S C -0.520 174.193 174.600 0.189 0.000 1.108 910 S CA -0.103 58.145 58.200 0.081 0.000 0.944 910 S CB 2.001 65.219 63.200 0.029 0.000 1.127 910 S HN 1.173 nan 8.310 nan 0.000 0.511 911 S N 1.920 117.690 115.700 0.116 0.000 2.466 911 S HA 0.266 4.735 4.470 -0.001 0.000 0.313 911 S C -0.143 174.463 174.600 0.010 0.000 1.078 911 S CA -0.502 57.689 58.200 -0.014 0.000 1.115 911 S CB -0.631 62.508 63.200 -0.102 0.000 1.006 911 S HN 0.793 nan 8.310 nan 0.000 0.487 912 H N 3.107 122.131 119.070 -0.077 0.000 3.092 912 H HA -0.029 4.526 4.556 -0.001 0.000 0.332 912 H C 1.339 176.670 175.328 0.005 0.000 1.029 912 H CA 0.882 56.914 56.048 -0.026 0.000 1.376 912 H CB 0.704 30.455 29.762 -0.018 0.000 1.329 912 H HN 0.827 nan 8.280 nan 0.000 0.598 913 E N 3.215 123.319 120.200 -0.161 0.000 2.485 913 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 913 E C -0.046 176.442 176.600 -0.187 0.000 1.098 913 E CA 0.201 56.541 56.400 -0.101 0.000 0.878 913 E CB 0.064 29.729 29.700 -0.059 0.000 0.939 913 E HN 0.628 nan 8.360 nan 0.000 0.503 914 Q N 1.253 120.839 119.800 -0.356 0.000 3.122 914 Q HA 0.172 4.512 4.340 -0.001 0.000 0.360 914 Q C -1.136 174.824 176.000 -0.067 0.000 1.300 914 Q CA -0.373 55.299 55.803 -0.219 0.000 0.982 914 Q CB -0.268 28.330 28.738 -0.234 0.000 1.534 914 Q HN 0.341 nan 8.270 nan 0.000 0.474 915 F N -1.220 118.620 119.950 -0.182 0.000 2.495 915 F HA 0.405 4.932 4.527 -0.001 0.000 0.327 915 F C -0.297 175.404 175.800 -0.165 0.000 1.103 915 F CA -0.811 57.066 58.000 -0.204 0.000 0.949 915 F CB 1.536 40.421 39.000 -0.191 0.000 1.142 915 F HN -0.210 nan 8.300 nan 0.000 0.457 916 T N 5.296 119.500 114.554 -0.585 0.000 2.992 916 T HA 0.148 4.498 4.350 -0.001 0.000 0.299 916 T C -0.172 174.164 174.700 -0.608 0.000 1.027 916 T CA -0.296 61.507 62.100 -0.494 0.000 1.001 916 T CB -0.442 68.327 68.868 -0.164 0.000 1.005 916 T HN 0.571 nan 8.240 nan 0.000 0.599 917 K N 3.068 122.958 120.400 -0.851 0.000 2.300 917 K HA 0.248 4.567 4.320 -0.001 0.000 0.264 917 K C 0.030 176.497 176.600 -0.222 0.000 1.083 917 K CA -0.679 55.317 56.287 -0.485 0.000 0.958 917 K CB 0.222 32.431 32.500 -0.485 0.000 1.318 917 K HN 0.726 nan 8.250 nan 0.000 0.448 918 Y N 3.475 123.663 120.300 -0.186 0.000 2.500 918 Y HA 0.210 4.759 4.550 -0.001 0.000 0.246 918 Y C -0.009 175.796 175.900 -0.159 0.000 1.146 918 Y CA -1.141 56.874 58.100 -0.141 0.000 1.230 918 Y CB -0.458 37.961 38.460 -0.069 0.000 1.214 918 Y HN 0.291 nan 8.280 nan 0.000 0.526 919 L N 2.482 123.337 121.223 -0.614 0.000 2.640 919 L HA 0.117 4.456 4.340 -0.001 0.000 0.300 919 L C -0.270 176.420 176.870 -0.299 0.000 1.259 919 L CA 0.038 54.568 54.840 -0.516 0.000 0.879 919 L CB -0.039 41.767 42.059 -0.422 0.000 1.125 919 L HN 0.617 nan 8.230 nan 0.000 0.507 920 N N 1.075 119.615 118.700 -0.268 0.000 3.265 920 N HA 0.157 4.897 4.740 -0.001 0.000 0.235 920 N C -0.138 175.242 175.510 -0.217 0.000 1.343 920 N CA -0.704 52.165 53.050 -0.303 0.000 0.904 920 N CB -0.014 38.417 38.487 -0.092 0.000 1.492 920 N HN 0.432 nan 8.380 nan 0.000 0.504 921 F N 0.742 120.704 119.950 0.020 0.000 2.451 921 F HA -0.007 4.520 4.527 -0.001 0.000 0.299 921 F C 1.634 177.446 175.800 0.021 0.000 1.101 921 F CA 0.795 58.822 58.000 0.045 0.000 1.436 921 F CB -0.243 38.791 39.000 0.056 0.000 1.074 921 F HN 0.531 nan 8.300 nan 0.000 0.553 922 S N 0.840 116.623 115.700 0.139 0.000 2.686 922 S HA 0.162 4.632 4.470 -0.001 0.000 0.324 922 S C -0.052 174.532 174.600 -0.027 0.000 1.172 922 S CA -0.379 57.850 58.200 0.049 0.000 1.127 922 S CB 0.157 63.366 63.200 0.015 0.000 1.338 922 S HN 0.318 nan 8.310 nan 0.000 0.547 923 E N 2.483 122.669 120.200 -0.024 0.000 3.132 923 E HA 0.290 4.640 4.350 -0.001 0.000 0.241 923 E C 0.622 177.173 176.600 -0.081 0.000 1.196 923 E CA -0.194 56.160 56.400 -0.077 0.000 0.869 923 E CB 0.325 30.008 29.700 -0.028 0.000 1.387 923 E HN 0.616 nan 8.360 nan 0.000 0.393 924 S N 1.595 117.238 115.700 -0.095 0.000 2.387 924 S HA 0.184 4.654 4.470 -0.001 0.000 0.221 924 S C 0.616 175.168 174.600 -0.078 0.000 1.041 924 S CA 0.125 58.279 58.200 -0.077 0.000 0.959 924 S CB 0.115 63.275 63.200 -0.066 0.000 0.843 924 S HN 0.253 nan 8.310 nan 0.000 0.488 925 E N 0.837 120.978 120.200 -0.099 0.000 2.412 925 E HA 0.528 4.878 4.350 -0.001 0.000 0.255 925 E C -1.212 175.331 176.600 -0.094 0.000 0.933 925 E CA -0.702 55.651 56.400 -0.078 0.000 0.823 925 E CB 0.807 30.468 29.700 -0.064 0.000 1.352 925 E HN 0.296 nan 8.360 nan 0.000 0.406 926 E N 1.006 121.182 120.200 -0.039 0.000 2.079 926 E HA 0.216 4.565 4.350 -0.001 0.000 0.252 926 E C -0.634 175.991 176.600 0.042 0.000 0.992 926 E CA -0.205 56.205 56.400 0.018 0.000 0.829 926 E CB 0.702 30.435 29.700 0.055 0.000 1.158 926 E HN 0.187 nan 8.360 nan 0.000 0.435 927 K N 1.166 121.557 120.400 -0.016 0.000 2.836 927 K HA 0.189 4.508 4.320 -0.001 0.000 0.300 927 K C 1.060 177.830 176.600 0.283 0.000 1.004 927 K CA -0.293 56.019 56.287 0.042 0.000 1.140 927 K CB 0.617 33.047 32.500 -0.117 0.000 1.458 927 K HN 0.349 nan 8.250 nan 0.000 0.550 928 E N -0.916 119.455 120.200 0.286 0.000 2.905 928 E HA 0.052 4.401 4.350 -0.001 0.000 0.197 928 E C 0.105 176.908 176.600 0.339 0.000 1.016 928 E CA -0.331 56.255 56.400 0.310 0.000 1.307 928 E CB 0.423 30.232 29.700 0.182 0.000 1.255 928 E HN 0.166 nan 8.360 nan 0.000 0.527 929 S N 0.517 116.375 115.700 0.263 0.000 2.567 929 S HA 0.154 4.624 4.470 -0.001 0.000 0.262 929 S C -0.824 173.898 174.600 0.204 0.000 1.237 929 S CA -0.638 57.677 58.200 0.193 0.000 1.093 929 S CB 0.043 63.307 63.200 0.106 0.000 1.095 929 S HN 0.433 nan 8.310 nan 0.000 0.489 930 H N 4.445 123.586 119.070 0.118 0.000 2.528 930 H HA 0.197 4.752 4.556 -0.001 0.000 0.256 930 H C 0.325 175.581 175.328 -0.119 0.000 1.204 930 H CA -0.271 55.748 56.048 -0.048 0.000 0.955 930 H CB 0.396 30.073 29.762 -0.142 0.000 1.817 930 H HN 0.517 nan 8.280 nan 0.000 0.579 931 V N 1.845 121.747 119.914 -0.020 0.000 2.971 931 V HA -0.106 4.014 4.120 -0.001 0.000 0.289 931 V C 0.176 176.278 176.094 0.014 0.000 1.298 931 V CA 0.912 63.247 62.300 0.058 0.000 1.374 931 V CB -0.547 31.299 31.823 0.039 0.000 0.823 931 V HN 0.612 nan 8.190 nan 0.000 0.473 932 A N 7.797 130.718 122.820 0.169 0.000 2.271 932 A HA 0.821 5.140 4.320 -0.001 0.000 0.288 932 A C -0.079 177.608 177.584 0.172 0.000 1.094 932 A CA -0.635 51.459 52.037 0.096 0.000 0.828 932 A CB 1.001 20.012 19.000 0.019 0.000 1.091 932 A HN 1.104 nan 8.150 nan 0.000 0.493 933 M N 1.910 121.511 119.600 0.000 0.000 2.090 933 M HA 0.253 4.733 4.480 -0.001 0.000 0.277 933 M C -1.469 174.785 176.300 -0.076 0.000 0.935 933 M CA -0.098 55.219 55.300 0.029 0.000 0.966 933 M CB 1.125 33.719 32.600 -0.009 0.000 1.635 933 M HN 0.807 nan 8.290 nan 0.000 0.446 934 H N 3.698 122.839 119.070 0.119 0.000 2.724 934 H HA 0.295 4.850 4.556 -0.001 0.000 0.278 934 H C -0.592 174.678 175.328 -0.096 0.000 1.159 934 H CA -0.315 55.736 56.048 0.005 0.000 1.254 934 H CB 0.880 30.671 29.762 0.049 0.000 1.412 934 H HN 0.534 nan 8.280 nan 0.000 0.488 935 R N 3.744 124.222 120.500 -0.036 0.000 2.254 935 R HA 0.221 4.561 4.340 -0.001 0.000 0.318 935 R C -1.272 174.966 176.300 -0.103 0.000 1.031 935 R CA -0.468 55.644 56.100 0.019 0.000 0.905 935 R CB 0.512 30.890 30.300 0.130 0.000 1.050 935 R HN 0.453 nan 8.270 nan 0.000 0.456 936 Y N 2.575 122.942 120.300 0.111 0.000 2.364 936 Y HA 0.255 4.804 4.550 -0.001 0.000 0.340 936 Y C 0.002 175.843 175.900 -0.099 0.000 0.975 936 Y CA -0.626 57.511 58.100 0.061 0.000 1.089 936 Y CB 2.212 40.774 38.460 0.169 0.000 1.192 936 Y HN 0.401 nan 8.280 nan 0.000 0.454 937 Q N 2.534 122.370 119.800 0.060 0.000 2.312 937 Q HA 0.679 5.019 4.340 -0.001 0.000 0.263 937 Q C -1.416 174.558 176.000 -0.044 0.000 0.995 937 Q CA -0.956 54.804 55.803 -0.072 0.000 0.853 937 Q CB 3.261 31.926 28.738 -0.121 0.000 1.300 937 Q HN 0.512 nan 8.270 nan 0.000 0.448 938 V N 2.599 122.467 119.914 -0.078 0.000 3.078 938 V HA 0.720 4.840 4.120 -0.001 0.000 0.311 938 V C -1.935 174.246 176.094 0.145 0.000 1.138 938 V CA -0.428 61.863 62.300 -0.015 0.000 1.007 938 V CB 2.443 34.176 31.823 -0.150 0.000 1.045 938 V HN 1.066 nan 8.190 nan 0.000 0.432 939 N N 1.922 120.774 118.700 0.252 0.000 3.049 939 N HA 0.321 5.061 4.740 -0.001 0.000 0.244 939 N C -2.075 173.633 175.510 0.330 0.000 1.203 939 N CA -0.749 52.513 53.050 0.353 0.000 0.945 939 N CB 1.011 39.592 38.487 0.157 0.000 1.616 939 N HN 0.643 nan 8.380 nan 0.000 0.505 940 N N 1.163 119.997 118.700 0.225 0.000 2.407 940 N HA 0.313 5.052 4.740 -0.001 0.000 0.277 940 N C -0.890 174.679 175.510 0.099 0.000 0.995 940 N CA -0.655 52.507 53.050 0.186 0.000 0.903 940 N CB 1.322 39.906 38.487 0.161 0.000 1.218 940 N HN 0.525 nan 8.380 nan 0.000 0.487 941 L N 1.637 123.003 121.223 0.239 0.000 2.688 941 L HA 0.322 4.662 4.340 -0.001 0.000 0.234 941 L C 1.650 178.575 176.870 0.090 0.000 1.192 941 L CA -0.096 54.823 54.840 0.131 0.000 0.984 941 L CB -0.542 41.550 42.059 0.054 0.000 1.232 941 L HN 0.774 nan 8.230 nan 0.000 0.465 942 G N -0.407 108.457 108.800 0.108 0.000 2.447 942 G HA2 0.133 4.093 3.960 -0.001 0.000 0.269 942 G HA3 0.133 4.093 3.960 -0.001 0.000 0.269 942 G C 0.363 175.273 174.900 0.018 0.000 1.455 942 G CA -0.204 44.936 45.100 0.067 0.000 1.061 942 G HN 0.424 nan 8.290 nan 0.000 0.545 943 Q N -1.018 118.787 119.800 0.009 0.000 2.038 943 Q HA 0.263 4.602 4.340 -0.001 0.000 0.240 943 Q C -0.265 175.724 176.000 -0.019 0.000 0.831 943 Q CA -0.038 55.766 55.803 0.001 0.000 1.068 943 Q CB 1.424 30.179 28.738 0.028 0.000 1.241 943 Q HN 0.345 nan 8.270 nan 0.000 0.435 944 R N 0.648 121.118 120.500 -0.050 0.000 2.566 944 R HA 0.233 4.572 4.340 -0.001 0.000 0.271 944 R C -1.687 174.536 176.300 -0.128 0.000 1.071 944 R CA -0.804 55.256 56.100 -0.068 0.000 0.915 944 R CB 1.614 31.898 30.300 -0.026 0.000 1.228 944 R HN 0.031 nan 8.270 nan 0.000 0.449 945 D N 3.609 123.941 120.400 -0.114 0.000 2.417 945 D HA 0.271 4.911 4.640 -0.001 0.000 0.250 945 D C -0.466 175.746 176.300 -0.146 0.000 1.166 945 D CA 0.268 54.193 54.000 -0.125 0.000 0.881 945 D CB 0.690 41.438 40.800 -0.085 0.000 1.164 945 D HN 0.273 nan 8.370 nan 0.000 0.467 946 L N 0.150 121.258 121.223 -0.192 0.000 2.505 946 L HA 0.570 4.910 4.340 -0.001 0.000 0.266 946 L C -3.023 173.766 176.870 -0.135 0.000 0.954 946 L CA -2.105 52.538 54.840 -0.328 0.000 0.852 946 L CB 1.950 43.458 42.059 -0.919 0.000 1.282 946 L HN -0.034 nan 8.230 nan 0.000 0.403 947 P HA 0.291 nan 4.420 nan 0.000 0.266 947 P C -0.529 176.793 177.300 0.036 0.000 1.193 947 P CA -0.119 63.005 63.100 0.039 0.000 0.770 947 P CB 0.982 32.728 31.700 0.076 0.000 0.836 948 V N -1.260 118.674 119.914 0.034 0.000 3.165 948 V HA 0.874 4.994 4.120 -0.001 0.000 0.309 948 V C -0.875 175.216 176.094 -0.006 0.000 1.267 948 V CA -0.910 61.409 62.300 0.031 0.000 1.067 948 V CB 2.040 33.819 31.823 -0.072 0.000 1.082 948 V HN 0.468 nan 8.190 nan 0.000 0.451 949 S N 0.427 116.115 115.700 -0.021 0.000 2.706 949 S HA 0.619 5.088 4.470 -0.001 0.000 0.270 949 S C -1.044 173.483 174.600 -0.121 0.000 1.163 949 S CA -0.518 57.641 58.200 -0.068 0.000 1.042 949 S CB 0.437 63.606 63.200 -0.051 0.000 1.079 949 S HN 0.758 nan 8.310 nan 0.000 0.474 950 I N 4.885 125.357 120.570 -0.163 0.000 2.322 950 I HA 0.269 4.439 4.170 -0.001 0.000 0.292 950 I C 0.394 176.247 176.117 -0.440 0.000 1.060 950 I CA -0.352 60.781 61.300 -0.279 0.000 1.309 950 I CB 0.702 38.602 38.000 -0.165 0.000 1.415 950 I HN 0.588 nan 8.210 nan 0.000 0.492 951 N N 5.241 123.639 118.700 -0.502 0.000 2.495 951 N HA 0.638 5.378 4.740 -0.001 0.000 0.280 951 N C -1.108 173.886 175.510 -0.859 0.000 1.168 951 N CA -0.273 52.446 53.050 -0.552 0.000 0.978 951 N CB 1.215 39.466 38.487 -0.392 0.000 1.191 951 N HN 0.261 nan 8.380 nan 0.000 0.497 952 F N -0.193 119.436 119.950 -0.536 0.000 2.664 952 F HA 0.530 5.057 4.527 -0.001 0.000 0.317 952 F C -1.272 174.084 175.800 -0.740 0.000 1.108 952 F CA -0.652 57.095 58.000 -0.422 0.000 0.957 952 F CB 1.389 40.315 39.000 -0.123 0.000 1.365 952 F HN 0.422 nan 8.300 nan 0.000 0.475 953 W N 1.479 122.985 121.300 0.344 0.000 2.642 953 W HA 0.659 5.318 4.660 -0.001 0.000 0.304 953 W C -1.885 174.755 176.519 0.203 0.000 1.023 953 W CA -0.644 56.829 57.345 0.213 0.000 1.290 953 W CB 1.460 30.986 29.460 0.110 0.000 1.190 953 W HN 0.148 nan 8.180 nan 0.000 0.374 954 V N 4.567 124.715 119.914 0.390 0.000 2.350 954 V HA 0.423 4.542 4.120 -0.001 0.000 0.285 954 V C -1.986 174.300 176.094 0.319 0.000 1.014 954 V CA -2.304 60.206 62.300 0.350 0.000 0.831 954 V CB 1.743 33.732 31.823 0.276 0.000 1.000 954 V HN 0.120 nan 8.190 nan 0.000 0.433 955 P HA 0.236 nan 4.420 nan 0.000 0.267 955 P C -0.009 177.427 177.300 0.227 0.000 1.200 955 P CA 0.453 63.656 63.100 0.172 0.000 0.772 955 P CB 1.238 32.956 31.700 0.028 0.000 0.855 956 V N 0.383 120.341 119.914 0.072 0.000 5.804 956 V HA 0.109 4.229 4.120 -0.001 0.000 0.088 956 V C 0.010 176.082 176.094 -0.037 0.000 0.886 956 V CA -0.250 62.082 62.300 0.054 0.000 1.231 956 V CB -0.675 31.154 31.823 0.011 0.000 2.101 956 V HN 0.323 nan 8.190 nan 0.000 0.525 957 E N 2.243 122.423 120.200 -0.034 0.000 2.568 957 E HA 0.161 4.510 4.350 -0.001 0.000 0.262 957 E C -0.767 175.773 176.600 -0.100 0.000 0.961 957 E CA 0.470 56.841 56.400 -0.048 0.000 0.945 957 E CB 0.550 30.229 29.700 -0.034 0.000 0.924 957 E HN 0.394 nan 8.360 nan 0.000 0.467 958 L N 4.397 125.556 121.223 -0.106 0.000 2.492 958 L HA 0.222 4.561 4.340 -0.001 0.000 0.259 958 L C -0.505 176.291 176.870 -0.123 0.000 1.229 958 L CA -0.157 54.581 54.840 -0.169 0.000 0.903 958 L CB 0.063 41.974 42.059 -0.246 0.000 1.114 958 L HN 0.532 nan 8.230 nan 0.000 0.494 959 N N 3.173 121.810 118.700 -0.104 0.000 2.756 959 N HA -0.264 4.476 4.740 -0.001 0.000 0.248 959 N C 0.620 176.130 175.510 -0.001 0.000 1.062 959 N CA 1.582 54.604 53.050 -0.046 0.000 0.696 959 N CB -1.035 37.422 38.487 -0.051 0.000 0.946 959 N HN 0.968 nan 8.380 nan 0.000 0.548 960 Q N -2.114 117.684 119.800 -0.002 0.000 2.261 960 Q HA -0.338 4.002 4.340 -0.001 0.000 0.155 960 Q C -0.750 175.270 176.000 0.033 0.000 0.598 960 Q CA 2.150 57.963 55.803 0.017 0.000 1.376 960 Q CB -1.012 27.742 28.738 0.027 0.000 1.356 960 Q HN 0.614 nan 8.270 nan 0.000 0.947 961 E N 0.945 121.170 120.200 0.041 0.000 1.996 961 E HA 0.561 4.910 4.350 -0.001 0.000 0.280 961 E C -0.558 176.092 176.600 0.084 0.000 1.092 961 E CA 0.690 57.144 56.400 0.090 0.000 0.862 961 E CB 0.676 30.456 29.700 0.133 0.000 1.066 961 E HN 0.425 nan 8.360 nan 0.000 0.396 962 A N 3.621 126.497 122.820 0.093 0.000 2.531 962 A HA 0.065 4.384 4.320 -0.001 0.000 0.236 962 A C 1.010 178.665 177.584 0.117 0.000 1.062 962 A CA -0.202 51.884 52.037 0.083 0.000 0.760 962 A CB 0.565 19.625 19.000 0.099 0.000 0.995 962 A HN 0.603 nan 8.150 nan 0.000 0.501 963 V N 1.730 121.642 119.914 -0.003 0.000 2.326 963 V HA 0.104 4.224 4.120 -0.001 0.000 0.238 963 V C 0.422 176.691 176.094 0.293 0.000 1.038 963 V CA 1.767 63.939 62.300 -0.213 0.000 1.032 963 V CB -0.318 31.202 31.823 -0.506 0.000 0.675 963 V HN 1.040 nan 8.190 nan 0.000 0.467 964 W N -0.297 120.994 121.300 -0.014 0.000 3.211 964 W HA 0.740 5.400 4.660 -0.001 0.000 0.335 964 W C -1.403 175.140 176.519 0.040 0.000 1.113 964 W CA -2.161 55.215 57.345 0.052 0.000 1.235 964 W CB 0.083 29.583 29.460 0.066 0.000 1.365 964 W HN 0.080 nan 8.180 nan 0.000 0.476 965 M N 3.182 122.849 119.600 0.111 0.000 2.369 965 M HA 0.285 4.764 4.480 -0.001 0.000 0.291 965 M C 0.239 176.481 176.300 -0.096 0.000 1.178 965 M CA -0.386 54.909 55.300 -0.007 0.000 0.996 965 M CB 0.400 33.030 32.600 0.050 0.000 1.472 965 M HN 0.381 nan 8.290 nan 0.000 0.496 966 D N 0.429 120.780 120.400 -0.082 0.000 2.755 966 D HA -0.106 4.534 4.640 -0.001 0.000 0.227 966 D C -1.137 175.070 176.300 -0.155 0.000 1.211 966 D CA 0.413 54.363 54.000 -0.084 0.000 0.663 966 D CB -1.452 39.323 40.800 -0.042 0.000 0.983 966 D HN 0.270 nan 8.370 nan 0.000 0.407 967 V N 0.660 120.429 119.914 -0.241 0.000 2.406 967 V HA 0.283 4.402 4.120 -0.001 0.000 0.272 967 V C 0.827 176.803 176.094 -0.195 0.000 1.043 967 V CA -0.002 62.070 62.300 -0.380 0.000 0.915 967 V CB 1.599 32.990 31.823 -0.721 0.000 0.988 967 V HN 0.099 nan 8.190 nan 0.000 0.466 968 E N 2.575 122.637 120.200 -0.230 0.000 2.423 968 E HA 0.681 5.031 4.350 -0.001 0.000 0.269 968 E C -1.518 174.897 176.600 -0.308 0.000 0.948 968 E CA -0.881 55.410 56.400 -0.182 0.000 0.802 968 E CB 2.889 32.541 29.700 -0.080 0.000 1.339 968 E HN 0.406 nan 8.360 nan 0.000 0.445 969 V N 1.172 120.916 119.914 -0.284 0.000 2.407 969 V HA 0.368 4.487 4.120 -0.001 0.000 0.291 969 V C -0.698 175.314 176.094 -0.136 0.000 1.018 969 V CA -0.230 61.896 62.300 -0.290 0.000 0.842 969 V CB 1.498 33.050 31.823 -0.452 0.000 0.996 969 V HN 0.643 nan 8.190 nan 0.000 0.426 970 S N 4.742 120.412 115.700 -0.051 0.000 2.584 970 S HA 0.415 4.884 4.470 -0.001 0.000 0.273 970 S C -0.332 174.352 174.600 0.140 0.000 1.311 970 S CA -0.107 58.111 58.200 0.030 0.000 1.034 970 S CB 0.400 63.623 63.200 0.038 0.000 0.939 970 S HN 1.017 nan 8.310 nan 0.000 0.513 971 H N 3.748 122.829 119.070 0.019 0.000 2.379 971 H HA 0.503 5.059 4.556 -0.001 0.000 0.229 971 H C -2.805 172.582 175.328 0.099 0.000 1.423 971 H CA -2.016 54.084 56.048 0.086 0.000 1.375 971 H CB 0.072 29.817 29.762 -0.029 0.000 1.592 971 H HN 0.393 nan 8.280 nan 0.000 0.507 972 P HA 0.055 nan 4.420 nan 0.000 0.273 972 P C 0.069 177.282 177.300 -0.145 0.000 1.250 972 P CA 0.038 63.104 63.100 -0.058 0.000 0.793 972 P CB 0.682 32.390 31.700 0.014 0.000 1.011 973 Q N -2.118 117.619 119.800 -0.105 0.000 2.439 973 Q HA -0.201 4.138 4.340 -0.001 0.000 0.247 973 Q C -0.581 175.331 176.000 -0.147 0.000 0.899 973 Q CA 1.377 57.124 55.803 -0.093 0.000 1.201 973 Q CB -2.151 26.554 28.738 -0.055 0.000 1.608 973 Q HN 0.621 nan 8.270 nan 0.000 0.563 974 N N -0.502 118.032 118.700 -0.278 0.000 2.598 974 N HA 0.351 5.090 4.740 -0.001 0.000 0.263 974 N C -2.716 172.651 175.510 -0.238 0.000 1.254 974 N CA -1.091 51.774 53.050 -0.309 0.000 0.863 974 N CB 1.792 39.943 38.487 -0.561 0.000 1.586 974 N HN -0.218 nan 8.380 nan 0.000 0.491 975 P HA -0.019 nan 4.420 nan 0.000 0.270 975 P C -0.151 177.204 177.300 0.090 0.000 1.221 975 P CA 0.017 63.133 63.100 0.027 0.000 0.788 975 P CB 0.188 31.925 31.700 0.061 0.000 0.904 976 S N 0.836 116.576 115.700 0.067 0.000 2.498 976 S HA 0.250 4.720 4.470 -0.001 0.000 0.314 976 S C 0.256 174.904 174.600 0.080 0.000 1.141 976 S CA -0.610 57.636 58.200 0.077 0.000 1.087 976 S CB -0.876 62.345 63.200 0.035 0.000 1.178 976 S HN 0.176 nan 8.310 nan 0.000 0.533 977 L N 3.024 124.314 121.223 0.112 0.000 2.439 977 L HA 0.475 4.815 4.340 -0.001 0.000 0.259 977 L C 1.011 177.861 176.870 -0.034 0.000 1.129 977 L CA -0.117 54.735 54.840 0.021 0.000 0.803 977 L CB 0.494 42.519 42.059 -0.056 0.000 1.161 977 L HN 0.605 nan 8.230 nan 0.000 0.462 978 R N 0.280 120.752 120.500 -0.047 0.000 2.265 978 R HA 0.554 4.893 4.340 -0.001 0.000 0.319 978 R C -1.231 175.026 176.300 -0.071 0.000 1.006 978 R CA -0.480 55.592 56.100 -0.048 0.000 0.880 978 R CB 0.908 31.188 30.300 -0.033 0.000 1.077 978 R HN 0.486 nan 8.270 nan 0.000 0.454 979 c N 1.019 119.584 118.600 -0.058 0.000 2.707 979 c HA 0.530 5.099 4.570 -0.001 0.000 0.313 979 c C 0.423 174.494 174.090 -0.031 0.000 1.209 979 c CA -0.555 55.748 56.329 -0.044 0.000 1.635 979 c CB 2.100 44.599 42.510 -0.018 0.000 2.206 979 c HN 0.820 nan 8.230 nan 0.000 0.485 980 S N 1.024 116.692 115.700 -0.054 0.000 2.690 980 S HA 0.861 5.331 4.470 -0.001 0.000 0.291 980 S C -0.451 174.018 174.600 -0.218 0.000 1.138 980 S CA -0.287 57.846 58.200 -0.111 0.000 1.013 980 S CB 0.973 64.103 63.200 -0.116 0.000 1.053 980 S HN 1.072 nan 8.310 nan 0.000 0.539 981 S N 1.749 117.282 115.700 -0.279 0.000 2.575 981 S HA 0.678 5.148 4.470 -0.001 0.000 0.278 981 S C -1.561 172.841 174.600 -0.330 0.000 1.139 981 S CA -0.857 57.061 58.200 -0.469 0.000 0.954 981 S CB 1.443 64.375 63.200 -0.447 0.000 1.054 981 S HN 0.723 nan 8.310 nan 0.000 0.483 982 E N 1.338 121.325 120.200 -0.355 0.000 2.304 982 E HA 0.331 4.681 4.350 -0.001 0.000 0.277 982 E C -1.340 175.156 176.600 -0.173 0.000 0.898 982 E CA -0.763 55.510 56.400 -0.212 0.000 0.764 982 E CB 2.311 31.918 29.700 -0.155 0.000 1.216 982 E HN 0.575 nan 8.360 nan 0.000 0.419 983 K N 2.725 123.056 120.400 -0.116 0.000 2.144 983 K HA 0.627 4.947 4.320 -0.001 0.000 0.270 983 K C -0.042 176.544 176.600 -0.024 0.000 1.005 983 K CA -0.419 55.827 56.287 -0.068 0.000 0.932 983 K CB 0.969 33.432 32.500 -0.062 0.000 1.021 983 K HN 0.463 nan 8.250 nan 0.000 0.462 984 I N -2.206 118.369 120.570 0.008 0.000 2.827 984 I HA 0.603 4.773 4.170 -0.001 0.000 0.298 984 I C -1.310 174.815 176.117 0.014 0.000 1.235 984 I CA -1.201 60.113 61.300 0.023 0.000 1.021 984 I CB 2.359 40.400 38.000 0.068 0.000 1.259 984 I HN 0.518 nan 8.210 nan 0.000 0.427 985 A N 4.931 127.753 122.820 0.003 0.000 2.271 985 A HA 0.877 5.196 4.320 -0.001 0.000 0.317 985 A C -2.352 175.224 177.584 -0.013 0.000 1.245 985 A CA -1.362 50.670 52.037 -0.009 0.000 0.857 985 A CB -0.073 18.922 19.000 -0.009 0.000 1.175 985 A HN 0.679 nan 8.150 nan 0.000 0.512 986 P HA 0.208 nan 4.420 nan 0.000 0.280 986 P C -1.580 175.704 177.300 -0.028 0.000 1.278 986 P CA -0.842 62.235 63.100 -0.039 0.000 0.787 986 P CB 0.007 31.668 31.700 -0.064 0.000 1.163 987 P HA -0.048 nan 4.420 nan 0.000 0.225 987 P C 0.253 177.553 177.300 0.001 0.000 1.148 987 P CA 1.426 64.517 63.100 -0.015 0.000 0.779 987 P CB -0.327 31.363 31.700 -0.016 0.000 0.780 988 A N -1.309 121.514 122.820 0.005 0.000 3.095 988 A HA -0.130 4.189 4.320 -0.001 0.000 0.248 988 A C 0.744 178.363 177.584 0.058 0.000 1.369 988 A CA 0.509 52.572 52.037 0.044 0.000 0.843 988 A CB -2.656 16.368 19.000 0.040 0.000 1.064 988 A HN 0.317 nan 8.150 nan 0.000 0.636 989 S N 0.068 115.792 115.700 0.040 0.000 2.606 989 S HA 0.330 4.799 4.470 -0.001 0.000 0.257 989 S C 0.389 175.022 174.600 0.054 0.000 1.327 989 S CA 0.285 58.511 58.200 0.044 0.000 0.984 989 S CB 0.300 63.533 63.200 0.054 0.000 0.941 989 S HN 0.686 nan 8.310 nan 0.000 0.576 990 D N 1.126 121.532 120.400 0.011 0.000 2.357 990 D HA 0.029 4.669 4.640 -0.001 0.000 0.265 990 D C 0.794 177.065 176.300 -0.048 0.000 1.334 990 D CA -0.394 53.550 54.000 -0.093 0.000 0.984 990 D CB -0.389 40.360 40.800 -0.086 0.000 1.077 990 D HN 0.440 nan 8.370 nan 0.000 0.514 991 F N 2.938 122.911 119.950 0.038 0.000 2.407 991 F HA 0.024 4.551 4.527 -0.001 0.000 0.299 991 F C 1.767 177.628 175.800 0.102 0.000 1.097 991 F CA -0.172 57.858 58.000 0.050 0.000 1.422 991 F CB -0.742 38.252 39.000 -0.010 0.000 1.067 991 F HN 0.321 nan 8.300 nan 0.000 0.539 992 L N 1.450 122.429 121.223 -0.406 0.000 1.951 992 L HA -0.232 4.107 4.340 -0.001 0.000 0.222 992 L C 2.665 179.555 176.870 0.032 0.000 1.078 992 L CA 2.209 56.959 54.840 -0.150 0.000 0.778 992 L CB -0.859 41.038 42.059 -0.270 0.000 0.893 992 L HN 0.258 nan 8.230 nan 0.000 0.436 993 A N -1.769 121.053 122.820 0.004 0.000 2.066 993 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 993 A C 2.166 179.796 177.584 0.078 0.000 1.157 993 A CA 1.171 53.227 52.037 0.033 0.000 0.670 993 A CB -0.963 18.040 19.000 0.005 0.000 0.804 993 A HN 0.767 nan 8.150 nan 0.000 0.453 994 H N 1.187 120.282 119.070 0.040 0.000 2.253 994 H HA -0.171 4.385 4.556 -0.001 0.000 0.296 994 H C 1.928 177.297 175.328 0.069 0.000 1.074 994 H CA 2.341 58.425 56.048 0.061 0.000 1.263 994 H CB -0.274 29.546 29.762 0.096 0.000 1.363 994 H HN 0.576 nan 8.280 nan 0.000 0.489 995 I N -0.382 120.364 120.570 0.294 0.000 3.291 995 I HA -0.037 4.132 4.170 -0.001 0.000 0.279 995 I C 2.434 178.618 176.117 0.112 0.000 1.294 995 I CA 0.843 62.268 61.300 0.209 0.000 1.428 995 I CB -0.311 37.839 38.000 0.250 0.000 1.070 995 I HN 0.209 nan 8.210 nan 0.000 0.478 996 Q N 1.933 121.787 119.800 0.091 0.000 2.119 996 Q HA -0.176 4.164 4.340 -0.001 0.000 0.201 996 Q C 2.030 178.042 176.000 0.020 0.000 0.972 996 Q CA 1.413 57.249 55.803 0.055 0.000 0.847 996 Q CB 0.094 28.859 28.738 0.046 0.000 0.903 996 Q HN 0.572 nan 8.270 nan 0.000 0.433 997 K N 0.221 120.614 120.400 -0.011 0.000 1.987 997 K HA -0.137 4.182 4.320 -0.001 0.000 0.216 997 K C 0.659 177.245 176.600 -0.024 0.000 1.051 997 K CA 1.164 57.428 56.287 -0.039 0.000 0.942 997 K CB -0.066 32.373 32.500 -0.101 0.000 0.722 997 K HN 0.077 nan 8.250 nan 0.000 0.444 998 N N -0.783 117.904 118.700 -0.022 0.000 2.410 998 N HA 0.174 4.914 4.740 -0.001 0.000 0.287 998 N C -2.512 173.023 175.510 0.041 0.000 1.044 998 N CA -2.110 50.941 53.050 0.001 0.000 0.881 998 N CB 1.847 40.325 38.487 -0.016 0.000 1.405 998 N HN -0.259 nan 8.380 nan 0.000 0.490 999 P HA -0.125 nan 4.420 nan 0.000 0.224 999 P C 0.355 177.708 177.300 0.087 0.000 1.142 999 P CA 0.717 63.858 63.100 0.070 0.000 0.778 999 P CB -0.016 31.712 31.700 0.046 0.000 0.764 1000 V N -2.113 117.844 119.914 0.071 0.000 3.061 1000 V HA -0.055 4.065 4.120 -0.001 0.000 0.306 1000 V C 0.356 176.506 176.094 0.093 0.000 1.118 1000 V CA 0.072 62.416 62.300 0.072 0.000 1.231 1000 V CB -0.092 31.765 31.823 0.057 0.000 0.956 1000 V HN -0.056 nan 8.190 nan 0.000 0.499 1001 L N 3.897 125.155 121.223 0.059 0.000 2.495 1001 L HA 0.459 4.799 4.340 -0.001 0.000 0.248 1001 L C -0.166 176.697 176.870 -0.012 0.000 1.229 1001 L CA -0.550 54.298 54.840 0.014 0.000 0.942 1001 L CB 0.330 42.356 42.059 -0.054 0.000 1.242 1001 L HN 1.064 nan 8.230 nan 0.000 0.484 1002 D N -0.203 120.206 120.400 0.016 0.000 2.393 1002 D HA -0.015 4.625 4.640 -0.001 0.000 0.246 1002 D C 1.110 177.392 176.300 -0.030 0.000 1.275 1002 D CA -0.474 53.527 54.000 0.002 0.000 0.979 1002 D CB 0.653 41.460 40.800 0.013 0.000 1.101 1002 D HN 0.260 nan 8.370 nan 0.000 0.505 1003 c N -0.440 118.144 118.600 -0.027 0.000 2.472 1003 c HA -0.041 4.528 4.570 -0.001 0.000 0.278 1003 c C 2.488 176.536 174.090 -0.069 0.000 1.447 1003 c CA 0.883 57.197 56.329 -0.025 0.000 1.773 1003 c CB -1.740 40.779 42.510 0.014 0.000 1.793 1003 c HN 0.746 nan 8.230 nan 0.000 0.544 1004 S N 0.177 115.822 115.700 -0.091 0.000 2.515 1004 S HA 0.021 4.490 4.470 -0.001 0.000 0.231 1004 S C 1.428 175.928 174.600 -0.167 0.000 0.987 1004 S CA 1.021 59.152 58.200 -0.116 0.000 0.936 1004 S CB -0.300 62.843 63.200 -0.094 0.000 0.766 1004 S HN 0.509 nan 8.310 nan 0.000 0.528 1005 I N 1.115 121.581 120.570 -0.173 0.000 3.132 1005 I HA 0.401 4.570 4.170 -0.001 0.000 0.255 1005 I C 1.309 177.321 176.117 -0.175 0.000 1.118 1005 I CA 0.407 61.589 61.300 -0.197 0.000 1.463 1005 I CB -1.181 36.702 38.000 -0.194 0.000 1.356 1005 I HN 0.352 nan 8.210 nan 0.000 0.463 1006 A N 0.825 123.544 122.820 -0.168 0.000 2.301 1006 A HA 0.610 4.929 4.320 -0.001 0.000 0.312 1006 A C 0.614 178.139 177.584 -0.098 0.000 1.182 1006 A CA -0.154 51.778 52.037 -0.175 0.000 0.826 1006 A CB 0.272 19.126 19.000 -0.242 0.000 1.134 1006 A HN 0.382 nan 8.150 nan 0.000 0.501 1007 G N 1.219 109.969 108.800 -0.083 0.000 2.151 1007 G HA2 0.219 4.178 3.960 -0.001 0.000 0.269 1007 G HA3 0.219 4.178 3.960 -0.001 0.000 0.269 1007 G C 0.483 175.381 174.900 -0.004 0.000 1.069 1007 G CA 0.382 45.460 45.100 -0.037 0.000 1.080 1007 G HN 0.914 nan 8.290 nan 0.000 0.405 1008 c N 2.617 121.241 118.600 0.040 0.000 2.694 1008 c HA 0.768 5.338 4.570 -0.001 0.000 0.324 1008 c C 0.426 174.575 174.090 0.097 0.000 1.813 1008 c CA -0.661 55.734 56.329 0.110 0.000 2.009 1008 c CB 0.391 43.020 42.510 0.197 0.000 1.939 1008 c HN 0.681 nan 8.230 nan 0.000 0.551 1009 L N 2.253 123.559 121.223 0.138 0.000 2.580 1009 L HA 0.432 4.771 4.340 -0.001 0.000 0.266 1009 L C -0.466 176.372 176.870 -0.052 0.000 0.955 1009 L CA -0.315 54.518 54.840 -0.012 0.000 0.886 1009 L CB 0.716 42.746 42.059 -0.048 0.000 1.263 1009 L HN 0.756 nan 8.230 nan 0.000 0.406 1010 R N 3.862 124.219 120.500 -0.238 0.000 2.308 1010 R HA 0.433 4.773 4.340 -0.001 0.000 0.305 1010 R C -1.741 174.247 176.300 -0.521 0.000 1.053 1010 R CA -0.253 55.563 56.100 -0.473 0.000 0.957 1010 R CB 0.721 30.657 30.300 -0.606 0.000 1.022 1010 R HN 0.402 nan 8.270 nan 0.000 0.461 1011 F N 3.781 123.557 119.950 -0.290 0.000 2.402 1011 F HA 0.362 4.889 4.527 -0.001 0.000 0.355 1011 F C 0.661 176.349 175.800 -0.185 0.000 1.123 1011 F CA -0.677 57.233 58.000 -0.149 0.000 1.021 1011 F CB 1.452 40.455 39.000 0.006 0.000 1.160 1011 F HN 0.352 nan 8.300 nan 0.000 0.451 1012 R N 3.601 124.059 120.500 -0.070 0.000 2.522 1012 R HA 0.444 4.783 4.340 -0.001 0.000 0.290 1012 R C -1.385 174.866 176.300 -0.081 0.000 1.216 1012 R CA -0.251 55.778 56.100 -0.117 0.000 1.250 1012 R CB 0.001 30.218 30.300 -0.138 0.000 1.143 1012 R HN 0.724 nan 8.270 nan 0.000 0.553 1013 c N 4.422 122.969 118.600 -0.088 0.000 2.252 1013 c HA 0.243 4.812 4.570 -0.001 0.000 0.342 1013 c C 0.106 174.114 174.090 -0.136 0.000 1.110 1013 c CA -1.016 55.231 56.329 -0.137 0.000 1.581 1013 c CB -0.756 41.611 42.510 -0.240 0.000 2.087 1013 c HN 0.692 nan 8.230 nan 0.000 0.500 1014 D N 1.257 121.596 120.400 -0.102 0.000 2.361 1014 D HA 0.371 5.010 4.640 -0.001 0.000 0.239 1014 D C -0.194 176.067 176.300 -0.066 0.000 1.200 1014 D CA 0.327 54.285 54.000 -0.070 0.000 0.915 1014 D CB 1.129 41.901 40.800 -0.045 0.000 1.170 1014 D HN 0.266 nan 8.370 nan 0.000 0.444 1015 V N 2.580 122.476 119.914 -0.030 0.000 2.668 1015 V HA 0.132 4.252 4.120 -0.001 0.000 0.304 1015 V C -1.503 174.613 176.094 0.036 0.000 1.071 1015 V CA -1.126 61.176 62.300 0.004 0.000 0.894 1015 V CB 2.223 34.047 31.823 0.002 0.000 1.008 1015 V HN 0.419 nan 8.190 nan 0.000 0.425 1016 P HA -0.065 nan 4.420 nan 0.000 0.211 1016 P C 0.483 177.818 177.300 0.059 0.000 1.179 1016 P CA 1.097 64.226 63.100 0.048 0.000 0.910 1016 P CB 0.424 32.152 31.700 0.047 0.000 0.785 1017 S N -1.601 114.145 115.700 0.077 0.000 2.673 1017 S HA 0.328 4.797 4.470 -0.001 0.000 0.256 1017 S C -1.077 173.597 174.600 0.122 0.000 1.141 1017 S CA -0.696 57.547 58.200 0.071 0.000 1.109 1017 S CB -0.523 62.696 63.200 0.030 0.000 1.101 1017 S HN -0.052 nan 8.310 nan 0.000 0.471 1018 F N 5.614 125.533 119.950 -0.051 0.000 2.651 1018 F HA 0.367 4.894 4.527 -0.001 0.000 0.367 1018 F C 0.958 176.717 175.800 -0.068 0.000 1.225 1018 F CA -0.273 57.697 58.000 -0.050 0.000 1.310 1018 F CB -0.734 38.223 39.000 -0.072 0.000 1.724 1018 F HN 0.588 nan 8.300 nan 0.000 0.662 1019 S N 2.216 117.786 115.700 -0.217 0.000 2.558 1019 S HA 0.043 4.513 4.470 -0.001 0.000 0.297 1019 S C 0.326 174.645 174.600 -0.468 0.000 1.283 1019 S CA -0.560 57.479 58.200 -0.268 0.000 1.044 1019 S CB 0.274 63.364 63.200 -0.182 0.000 0.789 1019 S HN 0.273 nan 8.310 nan 0.000 0.500 1020 V N 6.145 125.866 119.914 -0.321 0.000 2.843 1020 V HA 0.120 4.240 4.120 -0.001 0.000 0.305 1020 V C 1.174 177.114 176.094 -0.256 0.000 1.065 1020 V CA 0.666 62.790 62.300 -0.292 0.000 1.116 1020 V CB 0.467 32.196 31.823 -0.157 0.000 0.968 1020 V HN 1.140 nan 8.190 nan 0.000 0.487 1021 Q N -0.165 119.505 119.800 -0.216 0.000 2.559 1021 Q HA -0.240 4.100 4.340 -0.001 0.000 0.151 1021 Q C 0.625 176.527 176.000 -0.164 0.000 0.725 1021 Q CA 1.733 57.464 55.803 -0.121 0.000 1.230 1021 Q CB -0.979 27.727 28.738 -0.054 0.000 1.099 1021 Q HN 0.903 nan 8.270 nan 0.000 1.047 1022 E N 1.976 121.991 120.200 -0.307 0.000 2.328 1022 E HA -0.010 4.339 4.350 -0.001 0.000 0.265 1022 E C 0.112 176.635 176.600 -0.129 0.000 1.057 1022 E CA 0.196 56.448 56.400 -0.246 0.000 0.916 1022 E CB 0.440 29.935 29.700 -0.341 0.000 0.993 1022 E HN 0.226 nan 8.360 nan 0.000 0.446 1023 E N 5.591 125.782 120.200 -0.015 0.000 2.311 1023 E HA 0.045 4.395 4.350 -0.001 0.000 0.198 1023 E C 0.062 176.729 176.600 0.111 0.000 1.115 1023 E CA -0.323 56.109 56.400 0.054 0.000 1.140 1023 E CB 0.028 29.710 29.700 -0.030 0.000 1.204 1023 E HN 0.633 nan 8.360 nan 0.000 0.446 1024 L N 2.940 124.310 121.223 0.245 0.000 2.806 1024 L HA -0.134 4.205 4.340 -0.001 0.000 0.282 1024 L C -0.497 176.435 176.870 0.104 0.000 1.166 1024 L CA 0.472 55.480 54.840 0.279 0.000 0.969 1024 L CB 0.086 42.430 42.059 0.474 0.000 1.304 1024 L HN 0.230 nan 8.230 nan 0.000 0.474 1025 D N 4.621 125.054 120.400 0.055 0.000 2.490 1025 D HA 0.710 5.350 4.640 -0.001 0.000 0.232 1025 D C -0.765 175.559 176.300 0.040 0.000 1.053 1025 D CA -0.482 53.419 54.000 -0.166 0.000 0.914 1025 D CB 1.700 42.428 40.800 -0.119 0.000 1.431 1025 D HN 0.293 nan 8.370 nan 0.000 0.483 1026 F N -2.604 117.472 119.950 0.211 0.000 2.744 1026 F HA 0.643 5.170 4.527 -0.001 0.000 0.311 1026 F C -0.930 174.960 175.800 0.150 0.000 1.144 1026 F CA -0.982 57.144 58.000 0.211 0.000 0.938 1026 F CB 1.462 40.638 39.000 0.292 0.000 1.292 1026 F HN 0.444 nan 8.300 nan 0.000 0.444 1027 T N 1.429 116.200 114.554 0.360 0.000 2.916 1027 T HA 0.870 5.220 4.350 -0.001 0.000 0.292 1027 T C -1.736 173.006 174.700 0.070 0.000 1.064 1027 T CA -0.682 61.535 62.100 0.195 0.000 1.011 1027 T CB 1.515 70.461 68.868 0.130 0.000 1.152 1027 T HN 1.153 nan 8.240 nan 0.000 0.510 1028 L N 1.196 122.417 121.223 -0.002 0.000 2.408 1028 L HA 0.924 5.263 4.340 -0.001 0.000 0.268 1028 L C -0.881 175.984 176.870 -0.009 0.000 0.986 1028 L CA -0.896 53.866 54.840 -0.131 0.000 0.820 1028 L CB 1.738 43.574 42.059 -0.372 0.000 1.303 1028 L HN 0.816 nan 8.230 nan 0.000 0.411 1029 K N 0.741 121.099 120.400 -0.071 0.000 2.512 1029 K HA 1.012 5.332 4.320 -0.001 0.000 0.263 1029 K C -0.840 175.687 176.600 -0.122 0.000 0.966 1029 K CA -0.799 55.502 56.287 0.024 0.000 0.851 1029 K CB 2.408 34.931 32.500 0.038 0.000 1.395 1029 K HN 1.073 nan 8.250 nan 0.000 0.440 1030 G N 1.002 109.795 108.800 -0.013 0.000 2.716 1030 G HA2 0.195 4.155 3.960 -0.001 0.000 0.299 1030 G HA3 0.195 4.155 3.960 -0.001 0.000 0.299 1030 G C -1.710 173.308 174.900 0.196 0.000 1.450 1030 G CA -1.038 44.006 45.100 -0.094 0.000 0.968 1030 G HN 0.480 nan 8.290 nan 0.000 0.566 1031 N N 0.326 119.103 118.700 0.128 0.000 2.365 1031 N HA 0.034 4.774 4.740 -0.001 0.000 0.265 1031 N C -0.064 175.627 175.510 0.301 0.000 1.288 1031 N CA 0.129 53.288 53.050 0.182 0.000 0.869 1031 N CB 1.239 39.800 38.487 0.124 0.000 1.071 1031 N HN 0.525 nan 8.380 nan 0.000 0.480 1032 L N 1.846 123.246 121.223 0.296 0.000 2.255 1032 L HA 0.229 4.569 4.340 -0.001 0.000 0.289 1032 L C 0.442 177.360 176.870 0.079 0.000 1.046 1032 L CA -0.325 54.683 54.840 0.279 0.000 0.816 1032 L CB 0.678 42.800 42.059 0.105 0.000 1.197 1032 L HN 0.408 nan 8.230 nan 0.000 0.427 1033 S N 3.260 119.094 115.700 0.223 0.000 2.576 1033 S HA 0.221 4.691 4.470 -0.001 0.000 0.276 1033 S C 0.643 175.283 174.600 0.067 0.000 1.339 1033 S CA -0.100 58.238 58.200 0.230 0.000 1.039 1033 S CB 0.432 63.821 63.200 0.316 0.000 0.902 1033 S HN 0.559 nan 8.310 nan 0.000 0.516 1034 F N 2.382 122.391 119.950 0.100 0.000 2.749 1034 F HA 0.283 4.810 4.527 -0.001 0.000 0.300 1034 F C 2.238 177.939 175.800 -0.164 0.000 1.103 1034 F CA 0.073 58.028 58.000 -0.075 0.000 1.342 1034 F CB -0.268 38.708 39.000 -0.039 0.000 1.098 1034 F HN 0.758 nan 8.300 nan 0.000 0.586 1035 G N 1.387 110.270 108.800 0.138 0.000 2.421 1035 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 1035 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 1035 G C 1.489 176.422 174.900 0.055 0.000 1.171 1035 G CA 0.754 45.917 45.100 0.105 0.000 0.775 1035 G HN 0.618 nan 8.290 nan 0.000 0.543 1036 W N 1.224 122.566 121.300 0.071 0.000 2.538 1036 W HA 0.032 4.692 4.660 -0.001 0.000 0.254 1036 W C 1.319 177.862 176.519 0.040 0.000 1.249 1036 W CA 0.720 58.090 57.345 0.040 0.000 1.253 1036 W CB -0.960 28.512 29.460 0.020 0.000 1.130 1036 W HN 0.089 nan 8.180 nan 0.000 0.618 1037 V N 2.046 121.458 119.914 -0.838 0.000 2.469 1037 V HA -0.297 3.822 4.120 -0.001 0.000 0.251 1037 V C 2.867 178.789 176.094 -0.287 0.000 1.064 1037 V CA 2.513 64.280 62.300 -0.889 0.000 1.066 1037 V CB -1.057 30.357 31.823 -0.681 0.000 0.667 1037 V HN 0.245 nan 8.190 nan 0.000 0.461 1038 R N -0.028 120.397 120.500 -0.124 0.000 2.161 1038 R HA -0.138 4.202 4.340 -0.001 0.000 0.213 1038 R C 2.308 178.641 176.300 0.056 0.000 1.055 1038 R CA 1.003 57.091 56.100 -0.019 0.000 0.996 1038 R CB -0.125 30.174 30.300 -0.003 0.000 0.901 1038 R HN 0.489 nan 8.270 nan 0.000 0.456 1039 Q N 1.266 121.128 119.800 0.104 0.000 2.248 1039 Q HA -0.167 4.172 4.340 -0.001 0.000 0.208 1039 Q C 1.538 177.661 176.000 0.206 0.000 0.984 1039 Q CA 2.034 57.935 55.803 0.163 0.000 0.875 1039 Q CB -0.124 28.735 28.738 0.201 0.000 0.910 1039 Q HN 0.622 nan 8.270 nan 0.000 0.433 1040 I N -4.554 116.138 120.570 0.204 0.000 4.057 1040 I HA 0.259 4.429 4.170 -0.001 0.000 0.334 1040 I C 0.106 176.324 176.117 0.169 0.000 1.308 1040 I CA -0.351 61.096 61.300 0.246 0.000 1.125 1040 I CB 0.528 38.699 38.000 0.284 0.000 1.034 1040 I HN 0.040 nan 8.210 nan 0.000 0.401 1041 L N 1.107 122.397 121.223 0.112 0.000 3.533 1041 L HA -0.219 4.121 4.340 -0.001 0.000 0.477 1041 L C -0.506 176.412 176.870 0.079 0.000 1.306 1041 L CA 1.159 56.048 54.840 0.083 0.000 0.850 1041 L CB -1.536 40.573 42.059 0.084 0.000 1.654 1041 L HN 0.748 nan 8.230 nan 0.000 0.863 1042 Q N -0.139 119.703 119.800 0.070 0.000 2.737 1042 Q HA 0.659 4.998 4.340 -0.001 0.000 0.307 1042 Q C -1.021 175.010 176.000 0.051 0.000 0.905 1042 Q CA -1.207 54.636 55.803 0.068 0.000 0.753 1042 Q CB 1.954 30.736 28.738 0.075 0.000 1.463 1042 Q HN 0.096 nan 8.270 nan 0.000 0.455 1043 K N 0.762 121.194 120.400 0.052 0.000 2.444 1043 K HA 0.370 4.690 4.320 -0.001 0.000 0.252 1043 K C -0.813 175.785 176.600 -0.003 0.000 0.993 1043 K CA -0.784 55.525 56.287 0.036 0.000 0.847 1043 K CB 1.585 34.149 32.500 0.105 0.000 1.340 1043 K HN 0.680 nan 8.250 nan 0.000 0.446 1044 K N 0.158 120.534 120.400 -0.040 0.000 3.192 1044 K HA -0.156 4.163 4.320 -0.001 0.000 0.278 1044 K C -0.240 176.342 176.600 -0.030 0.000 1.164 1044 K CA 0.213 56.462 56.287 -0.062 0.000 0.816 1044 K CB -0.868 31.597 32.500 -0.059 0.000 1.256 1044 K HN 0.417 nan 8.250 nan 0.000 0.497 1045 V N 1.336 121.243 119.914 -0.012 0.000 3.237 1045 V HA 0.388 4.508 4.120 -0.001 0.000 0.305 1045 V C 0.069 176.192 176.094 0.049 0.000 1.096 1045 V CA 0.872 63.206 62.300 0.056 0.000 1.130 1045 V CB 1.531 33.431 31.823 0.128 0.000 1.048 1045 V HN 0.494 nan 8.190 nan 0.000 0.484 1046 S N 4.323 120.078 115.700 0.091 0.000 2.619 1046 S HA 0.528 4.997 4.470 -0.001 0.000 0.280 1046 S C -1.010 173.639 174.600 0.083 0.000 1.150 1046 S CA -0.603 57.638 58.200 0.069 0.000 0.978 1046 S CB 1.217 64.443 63.200 0.043 0.000 1.041 1046 S HN 1.058 nan 8.310 nan 0.000 0.485 1047 V N 3.898 123.850 119.914 0.064 0.000 2.481 1047 V HA 0.742 4.862 4.120 -0.001 0.000 0.286 1047 V C -0.659 175.435 176.094 0.001 0.000 1.042 1047 V CA -0.251 62.043 62.300 -0.010 0.000 0.928 1047 V CB 1.420 33.169 31.823 -0.124 0.000 0.986 1047 V HN 0.906 nan 8.190 nan 0.000 0.462 1048 V N 5.977 125.888 119.914 -0.005 0.000 2.628 1048 V HA 0.659 4.779 4.120 -0.001 0.000 0.306 1048 V C -0.064 176.038 176.094 0.015 0.000 1.045 1048 V CA -0.261 62.049 62.300 0.017 0.000 0.905 1048 V CB 2.368 34.210 31.823 0.032 0.000 0.997 1048 V HN 1.040 nan 8.190 nan 0.000 0.436 1049 S N 3.273 118.973 115.700 0.001 0.000 2.482 1049 S HA 0.809 5.278 4.470 -0.001 0.000 0.303 1049 S C -0.968 173.763 174.600 0.218 0.000 1.091 1049 S CA -0.647 57.608 58.200 0.091 0.000 1.057 1049 S CB 1.739 64.909 63.200 -0.049 0.000 1.031 1049 S HN 0.431 nan 8.310 nan 0.000 0.485 1050 V N 2.151 122.240 119.914 0.292 0.000 2.435 1050 V HA 0.832 4.951 4.120 -0.001 0.000 0.290 1050 V C 0.191 176.508 176.094 0.371 0.000 1.030 1050 V CA -0.536 61.938 62.300 0.289 0.000 0.881 1050 V CB 1.223 33.167 31.823 0.201 0.000 0.983 1050 V HN 1.207 nan 8.190 nan 0.000 0.445 1051 A N 4.344 127.211 122.820 0.079 0.000 2.335 1051 A HA 0.794 5.114 4.320 -0.001 0.000 0.304 1051 A C -0.469 176.987 177.584 -0.213 0.000 1.118 1051 A CA -0.554 51.361 52.037 -0.204 0.000 0.757 1051 A CB 0.997 19.507 19.000 -0.817 0.000 1.188 1051 A HN 0.930 nan 8.150 nan 0.000 0.460 1052 E N 3.477 123.562 120.200 -0.192 0.000 2.246 1052 E HA 0.552 4.902 4.350 -0.001 0.000 0.266 1052 E C -1.580 174.906 176.600 -0.190 0.000 0.880 1052 E CA -0.589 55.749 56.400 -0.104 0.000 0.762 1052 E CB 1.585 31.326 29.700 0.069 0.000 1.180 1052 E HN 0.657 nan 8.360 nan 0.000 0.416 1053 I N 3.712 124.190 120.570 -0.152 0.000 2.532 1053 I HA 0.358 4.527 4.170 -0.001 0.000 0.292 1053 I C -0.394 175.684 176.117 -0.064 0.000 1.014 1053 I CA 0.080 61.309 61.300 -0.119 0.000 1.340 1053 I CB 1.202 39.160 38.000 -0.070 0.000 1.422 1053 I HN 0.843 nan 8.210 nan 0.000 0.528 1054 T N 3.455 117.975 114.554 -0.055 0.000 2.865 1054 T HA 0.771 5.120 4.350 -0.001 0.000 0.294 1054 T C -0.814 173.885 174.700 -0.002 0.000 1.119 1054 T CA -0.656 61.317 62.100 -0.212 0.000 1.007 1054 T CB 1.835 70.597 68.868 -0.177 0.000 1.225 1054 T HN 0.557 nan 8.240 nan 0.000 0.515 1055 F N -1.637 118.306 119.950 -0.010 0.000 2.770 1055 F HA 0.575 5.102 4.527 -0.001 0.000 0.313 1055 F C -0.929 174.914 175.800 0.072 0.000 1.154 1055 F CA -1.442 56.572 58.000 0.024 0.000 0.923 1055 F CB 0.217 39.228 39.000 0.018 0.000 1.301 1055 F HN 0.580 nan 8.300 nan 0.000 0.449 1056 D N 1.656 122.231 120.400 0.292 0.000 2.455 1056 D HA 0.014 4.653 4.640 -0.001 0.000 0.265 1056 D C 1.453 177.872 176.300 0.198 0.000 1.284 1056 D CA 1.138 55.256 54.000 0.197 0.000 0.944 1056 D CB 1.121 42.050 40.800 0.215 0.000 1.121 1056 D HN 0.795 nan 8.370 nan 0.000 0.525 1057 T N 1.899 116.489 114.554 0.060 0.000 2.760 1057 T HA -0.190 4.159 4.350 -0.001 0.000 0.269 1057 T C 0.931 175.683 174.700 0.086 0.000 1.047 1057 T CA 1.482 63.607 62.100 0.041 0.000 1.139 1057 T CB -0.045 68.815 68.868 -0.014 0.000 0.855 1057 T HN 0.294 nan 8.240 nan 0.000 0.471 1058 S N -1.014 114.728 115.700 0.071 0.000 2.562 1058 S HA 0.488 4.957 4.470 -0.001 0.000 0.275 1058 S C 0.982 175.596 174.600 0.023 0.000 1.281 1058 S CA -0.212 58.013 58.200 0.041 0.000 1.045 1058 S CB 0.974 64.185 63.200 0.020 0.000 0.962 1058 S HN 0.579 nan 8.310 nan 0.000 0.503 1059 V N 3.106 123.002 119.914 -0.029 0.000 0.434 1059 V HA -0.259 3.860 4.120 -0.001 0.000 0.092 1059 V C -0.330 175.648 176.094 -0.193 0.000 2.581 1059 V CA 1.854 64.057 62.300 -0.161 0.000 3.733 1059 V CB -2.309 29.295 31.823 -0.364 0.000 1.002 1059 V HN 0.871 nan 8.190 nan 0.000 1.053 1060 Y N 0.785 121.214 120.300 0.215 0.000 2.587 1060 Y HA 0.810 5.360 4.550 -0.001 0.000 0.337 1060 Y C 0.270 176.330 175.900 0.268 0.000 1.065 1060 Y CA -0.382 57.858 58.100 0.233 0.000 1.126 1060 Y CB 2.082 40.665 38.460 0.205 0.000 1.279 1060 Y HN 0.585 nan 8.280 nan 0.000 0.489 1061 S N 0.110 116.084 115.700 0.457 0.000 2.678 1061 S HA 0.236 4.706 4.470 -0.001 0.000 0.290 1061 S C -1.709 173.064 174.600 0.287 0.000 1.047 1061 S CA -1.238 57.191 58.200 0.381 0.000 0.851 1061 S CB 1.128 64.454 63.200 0.211 0.000 1.058 1061 S HN 0.686 nan 8.310 nan 0.000 0.451 1062 Q N 0.535 120.503 119.800 0.280 0.000 2.327 1062 Q HA 0.452 4.791 4.340 -0.001 0.000 0.254 1062 Q C 1.109 177.171 176.000 0.103 0.000 0.952 1062 Q CA -0.542 55.358 55.803 0.162 0.000 0.884 1062 Q CB 0.854 29.672 28.738 0.134 0.000 1.224 1062 Q HN 0.740 nan 8.270 nan 0.000 0.422 1063 L N 3.138 124.418 121.223 0.096 0.000 2.102 1063 L HA 0.223 4.563 4.340 -0.001 0.000 0.202 1063 L C -1.014 175.887 176.870 0.052 0.000 1.076 1063 L CA 0.587 55.479 54.840 0.087 0.000 0.761 1063 L CB -1.676 40.452 42.059 0.115 0.000 0.921 1063 L HN 0.555 nan 8.230 nan 0.000 0.444 1064 P HA 0.224 nan 4.420 nan 0.000 0.245 1064 P C 0.864 178.163 177.300 -0.002 0.000 1.212 1064 P CA 1.240 64.350 63.100 0.018 0.000 0.774 1064 P CB 0.457 32.160 31.700 0.005 0.000 0.999 1065 G N 0.066 108.866 108.800 0.001 0.000 2.134 1065 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.225 1065 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.225 1065 G C -1.036 173.859 174.900 -0.009 0.000 1.944 1065 G CA -0.489 44.608 45.100 -0.006 0.000 1.512 1065 G HN 0.379 nan 8.290 nan 0.000 0.493 1066 Q N 0.686 120.470 119.800 -0.027 0.000 2.418 1066 Q HA 0.458 4.798 4.340 -0.001 0.000 0.240 1066 Q C -1.846 174.115 176.000 -0.065 0.000 0.859 1066 Q CA -0.298 55.487 55.803 -0.030 0.000 0.916 1066 Q CB 2.363 31.092 28.738 -0.015 0.000 1.448 1066 Q HN 0.533 nan 8.270 nan 0.000 0.439 1067 E N 1.233 121.374 120.200 -0.100 0.000 2.113 1067 E HA 0.429 4.779 4.350 -0.001 0.000 0.273 1067 E C -0.107 176.475 176.600 -0.030 0.000 0.924 1067 E CA -0.422 55.868 56.400 -0.183 0.000 0.764 1067 E CB 1.458 30.901 29.700 -0.428 0.000 1.104 1067 E HN 0.703 nan 8.360 nan 0.000 0.406 1068 A N 3.848 126.719 122.820 0.086 0.000 2.291 1068 A HA 0.028 4.347 4.320 -0.001 0.000 0.220 1068 A C 0.662 178.407 177.584 0.269 0.000 1.262 1068 A CA -0.005 52.117 52.037 0.142 0.000 0.867 1068 A CB -0.364 18.705 19.000 0.115 0.000 0.888 1068 A HN 0.513 nan 8.150 nan 0.000 0.487 1069 F N 0.308 120.233 119.950 -0.041 0.000 2.641 1069 F HA -0.052 4.475 4.527 -0.001 0.000 0.298 1069 F C 1.863 177.637 175.800 -0.044 0.000 1.146 1069 F CA 0.501 58.474 58.000 -0.045 0.000 1.464 1069 F CB -0.559 38.383 39.000 -0.097 0.000 1.101 1069 F HN 0.427 nan 8.300 nan 0.000 0.585 1070 M N -0.574 119.111 119.600 0.143 0.000 2.853 1070 M HA 0.332 4.811 4.480 -0.001 0.000 0.274 1070 M C 0.126 176.438 176.300 0.021 0.000 1.289 1070 M CA 0.292 55.633 55.300 0.069 0.000 1.031 1070 M CB 0.208 32.867 32.600 0.099 0.000 1.352 1070 M HN -0.028 nan 8.290 nan 0.000 0.485 1071 R N 1.242 121.758 120.500 0.026 0.000 3.101 1071 R HA 0.605 4.944 4.340 -0.001 0.000 0.242 1071 R C -1.296 175.016 176.300 0.020 0.000 1.831 1071 R CA -0.015 56.089 56.100 0.007 0.000 1.321 1071 R CB 0.785 31.096 30.300 0.019 0.000 1.512 1071 R HN 0.451 nan 8.270 nan 0.000 0.568 1072 A N 1.744 124.573 122.820 0.014 0.000 2.249 1072 A HA 0.561 4.880 4.320 -0.001 0.000 0.281 1072 A C -0.583 177.107 177.584 0.176 0.000 1.127 1072 A CA -0.265 51.837 52.037 0.108 0.000 0.833 1072 A CB 1.003 20.147 19.000 0.240 0.000 1.140 1072 A HN 0.650 nan 8.150 nan 0.000 0.502 1073 Q N -1.471 118.491 119.800 0.269 0.000 2.426 1073 Q HA 0.519 4.858 4.340 -0.001 0.000 0.278 1073 Q C -1.908 174.174 176.000 0.136 0.000 1.007 1073 Q CA -0.441 55.497 55.803 0.225 0.000 0.850 1073 Q CB 2.142 30.933 28.738 0.089 0.000 1.427 1073 Q HN 0.681 nan 8.270 nan 0.000 0.391 1074 T N 1.915 116.531 114.554 0.104 0.000 2.949 1074 T HA 0.318 4.668 4.350 -0.001 0.000 0.300 1074 T C -1.130 173.541 174.700 -0.049 0.000 0.988 1074 T CA -0.445 61.581 62.100 -0.124 0.000 0.993 1074 T CB 1.547 70.452 68.868 0.062 0.000 0.984 1074 T HN 0.458 nan 8.240 nan 0.000 0.442 1075 T N 3.144 117.572 114.554 -0.209 0.000 2.821 1075 T HA 0.467 4.817 4.350 -0.001 0.000 0.307 1075 T C 0.051 174.898 174.700 0.245 0.000 1.034 1075 T CA -0.243 61.869 62.100 0.019 0.000 0.953 1075 T CB 0.198 69.066 68.868 0.002 0.000 0.968 1075 T HN 0.510 nan 8.240 nan 0.000 0.462 1076 T N 3.999 118.770 114.554 0.362 0.000 2.899 1076 T HA 0.588 4.938 4.350 -0.001 0.000 0.284 1076 T C -0.291 174.462 174.700 0.089 0.000 1.004 1076 T CA -0.495 61.807 62.100 0.337 0.000 1.043 1076 T CB 1.201 70.205 68.868 0.227 0.000 1.013 1076 T HN 0.494 nan 8.240 nan 0.000 0.518 1077 V N 2.876 122.749 119.914 -0.068 0.000 2.604 1077 V HA 0.426 4.545 4.120 -0.001 0.000 0.305 1077 V C -0.462 175.384 176.094 -0.414 0.000 1.043 1077 V CA -0.735 61.462 62.300 -0.171 0.000 0.888 1077 V CB 1.757 33.487 31.823 -0.154 0.000 0.995 1077 V HN 0.623 nan 8.190 nan 0.000 0.429 1078 L N 3.040 124.084 121.223 -0.298 0.000 3.100 1078 L HA 0.352 4.692 4.340 -0.001 0.000 0.259 1078 L C 0.686 177.403 176.870 -0.255 0.000 1.316 1078 L CA 0.404 55.029 54.840 -0.359 0.000 0.992 1078 L CB 0.422 42.351 42.059 -0.218 0.000 1.390 1078 L HN 0.752 nan 8.230 nan 0.000 0.550 1079 E N 2.309 122.344 120.200 -0.276 0.000 2.159 1079 E HA 0.104 4.454 4.350 -0.001 0.000 0.272 1079 E C -0.623 175.852 176.600 -0.208 0.000 1.138 1079 E CA 0.087 56.359 56.400 -0.215 0.000 0.915 1079 E CB 0.282 29.832 29.700 -0.250 0.000 1.028 1079 E HN 0.133 nan 8.360 nan 0.000 0.423 1080 K N 4.880 125.233 120.400 -0.079 0.000 2.668 1080 K HA 0.151 4.471 4.320 -0.001 0.000 0.246 1080 K C -1.399 175.274 176.600 0.122 0.000 0.976 1080 K CA -0.702 55.584 56.287 -0.001 0.000 0.902 1080 K CB 1.177 33.705 32.500 0.047 0.000 1.172 1080 K HN 0.443 nan 8.250 nan 0.000 0.452 1081 Y N 2.324 122.653 120.300 0.049 0.000 2.612 1081 Y HA 0.335 4.884 4.550 -0.001 0.000 0.334 1081 Y C 0.471 176.423 175.900 0.088 0.000 1.227 1081 Y CA -0.063 58.099 58.100 0.103 0.000 1.356 1081 Y CB 0.747 39.345 38.460 0.230 0.000 1.534 1081 Y HN 0.533 nan 8.280 nan 0.000 0.576 1082 K N 0.000 120.071 120.400 -0.548 0.000 2.780 1082 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1082 K CA 0.000 56.060 56.287 -0.378 0.000 0.838 1082 K CB 0.000 32.436 32.500 -0.106 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543