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_A DATA FIRST_RESID 1 DATA SEQUENCE FNLDTEELTA FRVDSAGFGD SVVQYANSWV VVGAPQKITA ANQTGGLYQc DATA SEQUENCE GYSTGAcEPI GLQVPPEAVN MSLGLSLAST TSPSQLLAcG PTVHHEcGRN DATA SEQUENCE MYLTGLcFLL GPTQLTQRLP VSRQEcPXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXSSFEL EMAQEGFSAV FTPDGPVLGA DATA SEQUENCE VGSFTWSGGA FLYPPNMSPT FINMSQENVD MRDSYLGYST ELALWKGVQS DATA SEQUENCE LVLGAPRYQH TGKAVIFTQV SRQWRMKAEV TGTQIGSYFG ASLCSVDVDS DATA SEQUENCE DGSTDLVLIG APHYYEQTRG GQVSVcPLPR GWRRWWcDAV LYGEQGHPWG DATA SEQUENCE RFGAALTVLG DVNGDKLTDV VIGAPGEEEN RGAVYLFHGV LGPSISPSHS DATA SEQUENCE QRIAGSQLSS RLQYFGQALS GGQDLTQDGL VDLAVGARGQ VLLLRTRPVL DATA SEQUENCE WVGVSMQFIP AEIPRSAFEc REQVVSEQTL VQSNIcLYID KRSKNLLGSR DATA SEQUENCE DLQSSVTLDL ALDPGRLSPR ATFQETKNRS LSRVRVLGLK AHcENFNLLL DATA SEQUENCE PScVEDSVTP ITLRLNFTLV GKPLLAFRNL RPMLAADAQR YFTASLPFEK DATA SEQUENCE NcGADHIcQD NLGISFSFPG LKSLLVGSNL ELNAEVMVWN DGEDSYGTTI DATA SEQUENCE TFSHPAGLSY RYVAEGQKQG QLRSLHLTcD SAPVGSQGTW STScRINHLI DATA SEQUENCE FRGGAQITFL ATFDVSPKAV LGDRLLLTAN VSSENNTPRT SKTTFQLELP DATA SEQUENCE VKYAVYTVVS SHEQFTKYLN FSESEEKESH VAMHRYQVNN LGQRDLPVSI DATA SEQUENCE NFWVPVELNQ EAVWMDVEVS HPQNPSLRcS SEKIAPPASD FLAHIQKNPV DATA SEQUENCE LDcSIAGcLR FRcDVPSFSV QEELDFTLKG NLSFGWVRQI LQKKVSVVSV DATA SEQUENCE AEITFDTSVY SQLPGQEAFM RAQTTTVLEK YK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.851 175.800 0.085 0.000 0.967 1 F CA 0.000 58.071 58.000 0.119 0.000 1.383 1 F CB 0.000 39.051 39.000 0.085 0.000 1.145 2 N N 2.383 121.036 118.700 -0.078 0.000 2.699 2 N HA 0.350 5.089 4.740 -0.001 0.000 0.317 2 N C -1.123 174.388 175.510 0.002 0.000 1.661 2 N CA -0.070 52.979 53.050 -0.002 0.000 0.979 2 N CB 0.894 39.345 38.487 -0.060 0.000 1.329 2 N HN 0.423 nan 8.380 nan 0.000 0.497 3 L N 0.750 121.993 121.223 0.032 0.000 2.294 3 L HA 0.252 4.591 4.340 -0.001 0.000 0.283 3 L C 0.072 176.967 176.870 0.041 0.000 1.015 3 L CA -0.923 53.937 54.840 0.034 0.000 0.831 3 L CB 1.193 43.278 42.059 0.044 0.000 1.217 3 L HN 0.090 nan 8.230 nan 0.000 0.420 4 D N 1.904 122.324 120.400 0.034 0.000 2.533 4 D HA -0.020 4.620 4.640 -0.001 0.000 0.236 4 D C 0.130 176.446 176.300 0.027 0.000 1.137 4 D CA 0.605 54.624 54.000 0.032 0.000 0.867 4 D CB 0.904 41.720 40.800 0.028 0.000 1.170 4 D HN 0.467 nan 8.370 nan 0.000 0.474 5 T N 4.266 118.832 114.554 0.020 0.000 3.448 5 T HA 0.229 4.579 4.350 -0.001 0.000 0.271 5 T C 0.196 174.894 174.700 -0.003 0.000 1.002 5 T CA -0.581 61.522 62.100 0.006 0.000 0.995 5 T CB 0.318 69.189 68.868 0.005 0.000 1.153 5 T HN 0.369 nan 8.240 nan 0.000 0.510 6 E N 0.815 121.015 120.200 0.000 0.000 3.706 6 E HA 0.091 4.441 4.350 -0.001 0.000 0.266 6 E C -0.133 176.461 176.600 -0.009 0.000 1.251 6 E CA 0.069 56.465 56.400 -0.006 0.000 1.870 6 E CB 0.207 29.909 29.700 0.004 0.000 1.842 6 E HN 0.146 nan 8.360 nan 0.000 0.862 7 E N 2.353 122.555 120.200 0.004 0.000 2.136 7 E HA 0.305 4.654 4.350 -0.001 0.000 0.246 7 E C -0.059 176.551 176.600 0.016 0.000 1.017 7 E CA -0.135 56.268 56.400 0.004 0.000 0.883 7 E CB 0.069 29.779 29.700 0.017 0.000 1.199 7 E HN 0.111 nan 8.360 nan 0.000 0.447 8 L N -1.277 119.946 121.223 -0.000 0.000 2.257 8 L HA 0.713 5.052 4.340 -0.001 0.000 0.257 8 L C 0.276 177.130 176.870 -0.026 0.000 1.033 8 L CA -1.024 53.821 54.840 0.009 0.000 0.835 8 L CB 0.815 42.877 42.059 0.005 0.000 1.398 8 L HN -0.016 nan 8.230 nan 0.000 0.429 9 T N -1.841 112.691 114.554 -0.035 0.000 2.902 9 T HA 0.906 5.256 4.350 -0.001 0.000 0.283 9 T C -0.295 174.250 174.700 -0.259 0.000 1.009 9 T CA -0.142 61.852 62.100 -0.178 0.000 1.051 9 T CB 1.478 70.240 68.868 -0.178 0.000 0.999 9 T HN 1.146 nan 8.240 nan 0.000 0.474 10 A N 2.180 124.764 122.820 -0.392 0.000 2.381 10 A HA 0.691 5.011 4.320 -0.001 0.000 0.299 10 A C -1.243 176.109 177.584 -0.387 0.000 1.049 10 A CA -0.860 51.007 52.037 -0.284 0.000 0.715 10 A CB 0.721 19.641 19.000 -0.133 0.000 1.222 10 A HN 0.719 nan 8.150 nan 0.000 0.428 11 F N 2.276 122.265 119.950 0.064 0.000 2.308 11 F HA 0.403 4.930 4.527 -0.001 0.000 0.370 11 F C 1.215 177.036 175.800 0.035 0.000 1.100 11 F CA -0.511 57.520 58.000 0.051 0.000 1.108 11 F CB 1.433 40.510 39.000 0.128 0.000 1.293 11 F HN 0.650 nan 8.300 nan 0.000 0.478 12 R N 1.884 122.432 120.500 0.078 0.000 3.436 12 R HA 0.522 4.862 4.340 -0.001 0.000 0.247 12 R C -1.465 174.696 176.300 -0.231 0.000 1.434 12 R CA -0.352 55.726 56.100 -0.037 0.000 1.543 12 R CB 0.028 30.307 30.300 -0.035 0.000 1.289 12 R HN 0.296 nan 8.270 nan 0.000 0.664 13 V N 2.390 121.953 119.914 -0.586 0.000 2.353 13 V HA 0.020 4.140 4.120 -0.001 0.000 0.264 13 V C 0.128 175.721 176.094 -0.835 0.000 1.049 13 V CA -0.460 61.317 62.300 -0.872 0.000 0.896 13 V CB 0.916 31.912 31.823 -1.379 0.000 1.025 13 V HN 0.523 nan 8.190 nan 0.000 0.475 14 D N 3.910 124.076 120.400 -0.390 0.000 2.435 14 D HA 0.142 4.782 4.640 -0.001 0.000 0.230 14 D C 0.262 176.491 176.300 -0.118 0.000 1.215 14 D CA 0.281 54.165 54.000 -0.193 0.000 0.947 14 D CB 0.475 41.211 40.800 -0.106 0.000 1.048 14 D HN 0.476 nan 8.370 nan 0.000 0.512 15 S N 2.185 117.864 115.700 -0.035 0.000 2.327 15 S HA 0.579 5.048 4.470 -0.001 0.000 0.203 15 S C 0.561 175.262 174.600 0.169 0.000 1.326 15 S CA -0.034 58.227 58.200 0.102 0.000 1.248 15 S CB 0.539 63.879 63.200 0.234 0.000 1.199 15 S HN 0.703 nan 8.310 nan 0.000 0.422 16 A N 1.581 124.471 122.820 0.116 0.000 5.022 16 A HA -0.204 4.116 4.320 -0.001 0.000 0.312 16 A C 1.460 179.134 177.584 0.150 0.000 1.965 16 A CA 0.834 52.939 52.037 0.114 0.000 0.712 16 A CB -1.787 17.273 19.000 0.100 0.000 1.305 16 A HN 1.246 nan 8.150 nan 0.000 0.364 17 G N -1.062 107.828 108.800 0.150 0.000 3.424 17 G HA2 0.437 4.397 3.960 -0.001 0.000 0.263 17 G HA3 0.437 4.397 3.960 -0.001 0.000 0.263 17 G C 0.138 175.139 174.900 0.169 0.000 1.310 17 G CA 0.714 45.900 45.100 0.143 0.000 1.089 17 G HN 1.076 nan 8.290 nan 0.000 0.534 18 F N 1.043 121.039 119.950 0.078 0.000 2.496 18 F HA 0.423 4.950 4.527 -0.000 0.000 0.344 18 F C 1.295 177.142 175.800 0.078 0.000 1.155 18 F CA 0.725 58.779 58.000 0.089 0.000 1.302 18 F CB 0.978 40.028 39.000 0.083 0.000 1.159 18 F HN 0.264 nan 8.300 nan 0.000 0.595 19 G N 3.980 112.298 108.800 -0.804 0.000 2.323 19 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.292 19 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.292 19 G C 0.363 175.201 174.900 -0.102 0.000 1.040 19 G CA 0.651 45.512 45.100 -0.399 0.000 0.942 19 G HN 0.852 nan 8.290 nan 0.000 0.506 20 D N -0.935 119.401 120.400 -0.107 0.000 2.423 20 D HA 0.276 4.915 4.640 -0.001 0.000 0.212 20 D C 0.771 177.044 176.300 -0.045 0.000 1.060 20 D CA 1.154 55.145 54.000 -0.015 0.000 0.872 20 D CB 0.578 41.389 40.800 0.018 0.000 1.012 20 D HN 0.411 nan 8.370 nan 0.000 0.503 21 S N -0.005 115.641 115.700 -0.091 0.000 2.603 21 S HA 0.575 5.045 4.470 -0.001 0.000 0.274 21 S C -1.700 172.845 174.600 -0.092 0.000 1.168 21 S CA -0.593 57.557 58.200 -0.084 0.000 0.963 21 S CB 1.173 64.319 63.200 -0.091 0.000 1.078 21 S HN -0.071 nan 8.310 nan 0.000 0.477 22 V N 4.855 124.733 119.914 -0.061 0.000 3.078 22 V HA 1.004 5.124 4.120 -0.001 0.000 0.311 22 V C -1.245 174.848 176.094 -0.001 0.000 1.138 22 V CA -0.268 62.009 62.300 -0.039 0.000 1.007 22 V CB 2.075 33.882 31.823 -0.027 0.000 1.045 22 V HN 0.956 nan 8.190 nan 0.000 0.432 23 V N 3.594 123.525 119.914 0.028 0.000 3.120 23 V HA 0.518 4.637 4.120 -0.001 0.000 0.303 23 V C -1.290 174.862 176.094 0.096 0.000 1.238 23 V CA -0.610 61.725 62.300 0.057 0.000 1.008 23 V CB 2.611 34.474 31.823 0.068 0.000 1.064 23 V HN 0.943 nan 8.190 nan 0.000 0.434 24 Q N 3.784 123.641 119.800 0.095 0.000 2.324 24 Q HA 0.199 4.539 4.340 -0.001 0.000 0.257 24 Q C -0.781 175.317 176.000 0.164 0.000 1.080 24 Q CA 0.057 55.931 55.803 0.117 0.000 0.907 24 Q CB 0.836 29.616 28.738 0.070 0.000 1.274 24 Q HN 0.683 nan 8.270 nan 0.000 0.434 25 Y N 1.970 122.311 120.300 0.067 0.000 2.220 25 Y HA 0.195 4.745 4.550 -0.001 0.000 0.347 25 Y C 0.410 176.348 175.900 0.063 0.000 1.311 25 Y CA -0.734 57.404 58.100 0.063 0.000 1.593 25 Y CB 0.338 38.864 38.460 0.111 0.000 1.419 25 Y HN 0.688 nan 8.280 nan 0.000 0.614 26 A N 2.902 125.257 122.820 -0.776 0.000 2.622 26 A HA -0.193 4.127 4.320 -0.001 0.000 0.235 26 A C 1.254 178.744 177.584 -0.157 0.000 1.013 26 A CA 0.509 52.200 52.037 -0.578 0.000 0.765 26 A CB -0.358 18.107 19.000 -0.891 0.000 0.921 26 A HN 0.886 nan 8.150 nan 0.000 0.506 27 N N 1.560 120.213 118.700 -0.078 0.000 2.242 27 N HA -0.147 4.593 4.740 -0.001 0.000 0.191 27 N C 1.707 177.242 175.510 0.042 0.000 1.005 27 N CA 1.864 54.911 53.050 -0.006 0.000 0.877 27 N CB -0.296 38.178 38.487 -0.021 0.000 0.983 27 N HN 0.656 nan 8.380 nan 0.000 0.439 28 S N -1.067 114.691 115.700 0.095 0.000 2.453 28 S HA -0.005 4.465 4.470 -0.001 0.000 0.231 28 S C -0.024 174.518 174.600 -0.097 0.000 1.005 28 S CA 0.593 58.821 58.200 0.047 0.000 0.949 28 S CB 0.124 63.436 63.200 0.187 0.000 0.774 28 S HN 0.374 nan 8.310 nan 0.000 0.510 29 W N -1.063 120.323 121.300 0.144 0.000 3.083 29 W HA 0.660 5.320 4.660 -0.001 0.000 0.333 29 W C -1.093 175.549 176.519 0.205 0.000 1.217 29 W CA -0.689 56.777 57.345 0.201 0.000 1.170 29 W CB 1.140 30.783 29.460 0.305 0.000 1.437 29 W HN -0.314 nan 8.180 nan 0.000 0.557 30 V N 2.846 122.998 119.914 0.397 0.000 2.531 30 V HA 0.718 4.837 4.120 -0.001 0.000 0.301 30 V C -1.517 174.684 176.094 0.178 0.000 1.034 30 V CA -0.924 61.531 62.300 0.257 0.000 0.865 30 V CB 1.675 33.618 31.823 0.199 0.000 0.995 30 V HN 0.346 nan 8.190 nan 0.000 0.424 31 V N 7.537 127.518 119.914 0.111 0.000 2.394 31 V HA 0.540 4.659 4.120 -0.001 0.000 0.282 31 V C 0.126 176.212 176.094 -0.013 0.000 1.031 31 V CA -0.167 62.141 62.300 0.014 0.000 0.881 31 V CB 1.708 33.487 31.823 -0.073 0.000 0.982 31 V HN 0.871 nan 8.190 nan 0.000 0.451 32 V N 2.555 122.442 119.914 -0.044 0.000 3.093 32 V HA 1.051 5.170 4.120 -0.001 0.000 0.320 32 V C 0.353 176.348 176.094 -0.164 0.000 1.093 32 V CA -0.525 61.673 62.300 -0.169 0.000 1.016 32 V CB 1.745 33.321 31.823 -0.410 0.000 1.096 32 V HN 0.878 nan 8.190 nan 0.000 0.452 33 G N -0.066 108.599 108.800 -0.226 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 -0.594 174.235 174.900 -0.118 0.000 1.257 33 G CA -0.394 44.626 45.100 -0.134 0.000 0.962 33 G HN 1.643 nan 8.290 nan 0.000 0.483 34 A N 3.584 126.398 122.820 -0.009 0.000 3.082 34 A HA 0.675 4.994 4.320 -0.001 0.000 0.328 34 A C -1.777 175.839 177.584 0.053 0.000 1.089 34 A CA -1.144 50.940 52.037 0.079 0.000 0.802 34 A CB 1.380 20.530 19.000 0.250 0.000 1.138 34 A HN 0.363 nan 8.150 nan 0.000 0.474 35 P HA -0.173 nan 4.420 nan 0.000 0.216 35 P C 0.718 178.045 177.300 0.045 0.000 1.150 35 P CA 1.433 64.550 63.100 0.028 0.000 0.843 35 P CB 0.263 31.975 31.700 0.021 0.000 0.787 36 Q N -0.905 118.932 119.800 0.061 0.000 2.242 36 Q HA 0.112 4.452 4.340 -0.001 0.000 0.246 36 Q C 0.309 176.350 176.000 0.069 0.000 0.883 36 Q CA 0.111 55.951 55.803 0.063 0.000 0.984 36 Q CB -0.369 28.410 28.738 0.069 0.000 1.096 36 Q HN 0.139 nan 8.270 nan 0.000 0.452 37 K N 1.577 122.019 120.400 0.070 0.000 2.142 37 K HA 0.174 4.494 4.320 -0.001 0.000 0.250 37 K C -0.636 175.988 176.600 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 32.368 32.500 0.093 0.000 1.569 37 K HN 0.267 nan 8.250 nan 0.000 0.361 38 I N 3.449 124.041 120.570 0.036 0.000 2.996 38 I HA -0.176 3.994 4.170 -0.001 0.000 0.310 38 I C 0.389 176.513 176.117 0.011 0.000 1.225 38 I CA 1.040 62.353 61.300 0.021 0.000 1.442 38 I CB -0.007 38.005 38.000 0.019 0.000 1.334 38 I HN 0.566 nan 8.210 nan 0.000 0.550 39 T N 3.507 118.063 114.554 0.003 0.000 2.991 39 T HA 0.714 5.064 4.350 -0.001 0.000 0.303 39 T C -0.028 174.668 174.700 -0.006 0.000 1.015 39 T CA -0.125 61.971 62.100 -0.007 0.000 1.007 39 T CB 1.878 70.734 68.868 -0.020 0.000 1.034 39 T HN 1.237 nan 8.240 nan 0.000 0.446 40 A N 2.339 125.155 122.820 -0.007 0.000 5.699 40 A HA 0.247 4.566 4.320 -0.001 0.000 0.280 40 A C 0.759 178.339 177.584 -0.007 0.000 2.071 40 A CA 0.156 52.189 52.037 -0.007 0.000 0.714 40 A CB -1.690 17.306 19.000 -0.007 0.000 1.162 40 A HN 2.568 nan 8.150 nan 0.000 0.363 41 A N 0.174 122.989 122.820 -0.008 0.000 2.391 41 A HA 0.520 4.840 4.320 -0.001 0.000 0.316 41 A C 0.605 178.178 177.584 -0.019 0.000 1.381 41 A CA 0.488 52.518 52.037 -0.013 0.000 0.998 41 A CB -0.788 18.204 19.000 -0.013 0.000 1.147 41 A HN 1.681 nan 8.150 nan 0.000 0.545 42 N N 1.249 119.936 118.700 -0.022 0.000 2.689 42 N HA -0.204 4.536 4.740 -0.001 0.000 0.263 42 N C 0.333 175.826 175.510 -0.027 0.000 0.987 42 N CA 1.576 54.605 53.050 -0.034 0.000 0.782 42 N CB -0.597 37.850 38.487 -0.066 0.000 0.903 42 N HN 0.945 nan 8.380 nan 0.000 0.547 43 Q N -0.747 119.051 119.800 -0.003 0.000 3.078 43 Q HA 0.307 4.646 4.340 -0.001 0.000 0.202 43 Q C 1.022 177.041 176.000 0.032 0.000 1.165 43 Q CA -0.055 55.759 55.803 0.017 0.000 0.377 43 Q CB 0.443 29.189 28.738 0.014 0.000 5.614 43 Q HN 0.423 nan 8.270 nan 0.000 0.305 44 T N -2.551 112.020 114.554 0.029 0.000 2.801 44 T HA 0.431 4.780 4.350 -0.001 0.000 0.324 44 T C 0.801 175.509 174.700 0.013 0.000 1.088 44 T CA -0.047 62.071 62.100 0.030 0.000 0.975 44 T CB 0.486 69.362 68.868 0.014 0.000 1.316 44 T HN 0.640 nan 8.240 nan 0.000 0.533 45 G N -1.114 107.686 108.800 0.001 0.000 2.613 45 G HA2 0.620 4.580 3.960 -0.001 0.000 0.218 45 G HA3 0.620 4.580 3.960 -0.001 0.000 0.218 45 G C 0.535 175.407 174.900 -0.047 0.000 1.508 45 G CA -0.006 45.092 45.100 -0.002 0.000 0.788 45 G HN 1.630 nan 8.290 nan 0.000 0.603 46 G N -1.293 107.455 108.800 -0.087 0.000 2.317 46 G HA2 0.356 4.316 3.960 -0.001 0.000 0.445 46 G HA3 0.356 4.316 3.960 -0.001 0.000 0.445 46 G C -1.427 173.341 174.900 -0.220 0.000 1.486 46 G CA -0.740 44.246 45.100 -0.190 0.000 0.991 46 G HN 0.555 nan 8.290 nan 0.000 0.660 47 L N -0.442 120.586 121.223 -0.326 0.000 2.303 47 L HA 0.820 5.160 4.340 -0.001 0.000 0.266 47 L C -0.982 175.640 176.870 -0.414 0.000 1.011 47 L CA -1.189 53.489 54.840 -0.270 0.000 0.818 47 L CB 2.189 44.119 42.059 -0.214 0.000 1.326 47 L HN 0.581 nan 8.230 nan 0.000 0.435 48 Y N 0.111 120.397 120.300 -0.023 0.000 2.396 48 Y HA 0.282 4.832 4.550 -0.001 0.000 0.332 48 Y C -0.509 175.378 175.900 -0.022 0.000 1.034 48 Y CA -0.910 57.200 58.100 0.017 0.000 1.057 48 Y CB 2.077 40.645 38.460 0.179 0.000 1.220 48 Y HN 0.457 nan 8.280 nan 0.000 0.440 49 Q N 2.003 121.884 119.800 0.135 0.000 2.241 49 Q HA 0.786 5.126 4.340 -0.001 0.000 0.254 49 Q C -1.276 174.894 176.000 0.282 0.000 0.917 49 Q CA -0.564 55.319 55.803 0.134 0.000 0.919 49 Q CB 1.579 30.248 28.738 -0.115 0.000 1.237 49 Q HN 0.615 nan 8.270 nan 0.000 0.434 50 c N 2.463 121.217 118.600 0.256 0.000 2.498 50 c HA 0.875 5.445 4.570 -0.001 0.000 0.316 50 c C 0.418 174.469 174.090 -0.066 0.000 1.209 50 c CA -0.494 55.760 56.329 -0.125 0.000 1.518 50 c CB 1.192 43.122 42.510 -0.965 0.000 2.147 50 c HN 1.011 nan 8.230 nan 0.000 0.483 51 G N 0.152 108.786 108.800 -0.277 0.000 2.441 51 G HA2 0.471 4.431 3.960 -0.001 0.000 0.334 51 G HA3 0.471 4.431 3.960 -0.001 0.000 0.334 51 G C -0.225 174.675 174.900 0.000 0.000 1.161 51 G CA -0.172 44.632 45.100 -0.493 0.000 0.935 51 G HN 0.796 nan 8.290 nan 0.000 0.488 52 Y N 1.111 121.349 120.300 -0.103 0.000 2.243 52 Y HA -0.053 4.497 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 2.138 60.248 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 -0.281 115.370 115.700 -0.083 0.000 2.401 53 S HA -0.252 4.218 4.470 -0.001 0.000 0.236 53 S C 0.895 175.372 174.600 -0.204 0.000 1.058 53 S CA 1.994 60.110 58.200 -0.139 0.000 1.151 53 S CB -1.207 61.950 63.200 -0.072 0.000 1.049 53 S HN 0.671 nan 8.310 nan 0.000 0.432 54 T N -0.509 113.972 114.554 -0.121 0.000 2.779 54 T HA 0.624 4.974 4.350 -0.001 0.000 0.280 54 T C 0.060 174.770 174.700 0.015 0.000 0.987 54 T CA -0.474 61.581 62.100 -0.075 0.000 0.966 54 T CB 1.784 70.637 68.868 -0.025 0.000 0.933 54 T HN 0.229 nan 8.240 nan 0.000 0.442 55 G N 1.752 110.544 108.800 -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 0.034 175.097 174.900 0.272 0.000 0.731 55 G CA -0.198 44.962 45.100 0.099 0.000 2.037 55 G HN 1.251 nan 8.290 nan 0.000 0.560 56 A N 0.830 123.906 122.820 0.427 0.000 2.605 56 A HA 0.602 4.922 4.320 -0.001 0.000 0.294 56 A C -0.835 176.753 177.584 0.006 0.000 1.062 56 A CA -0.590 51.561 52.037 0.190 0.000 0.682 56 A CB 0.991 20.039 19.000 0.080 0.000 1.278 56 A HN 0.613 nan 8.150 nan 0.000 0.410 57 c N 1.873 120.421 118.600 -0.086 0.000 2.298 57 c HA 0.710 5.279 4.570 -0.001 0.000 0.323 57 c C -0.156 173.935 174.090 0.002 0.000 1.284 57 c CA -0.653 55.592 56.329 -0.140 0.000 1.577 57 c CB 0.608 42.950 42.510 -0.279 0.000 2.249 57 c HN 0.754 nan 8.230 nan 0.000 0.497 58 E N 3.320 123.607 120.200 0.144 0.000 2.197 58 E HA 0.348 4.697 4.350 -0.001 0.000 0.281 58 E C -2.306 174.471 176.600 0.294 0.000 0.995 58 E CA -1.915 54.595 56.400 0.184 0.000 0.808 58 E CB 1.054 30.844 29.700 0.150 0.000 1.093 58 E HN 0.403 nan 8.360 nan 0.000 0.394 59 P HA 0.075 nan 4.420 nan 0.000 0.269 59 P C -0.183 177.071 177.300 -0.076 0.000 1.217 59 P CA 0.151 63.291 63.100 0.067 0.000 0.783 59 P CB 0.601 32.322 31.700 0.035 0.000 0.898 60 I N 0.791 121.234 120.570 -0.212 0.000 2.404 60 I HA 0.485 4.655 4.170 -0.001 0.000 0.293 60 I C 0.417 176.406 176.117 -0.213 0.000 0.992 60 I CA -0.723 60.451 61.300 -0.210 0.000 1.149 60 I CB 1.299 39.149 38.000 -0.251 0.000 1.315 60 I HN 0.341 nan 8.210 nan 0.000 0.446 61 G N 7.812 116.506 108.800 -0.176 0.000 2.398 61 G HA2 0.436 4.395 3.960 -0.001 0.000 0.246 61 G HA3 0.436 4.395 3.960 -0.001 0.000 0.246 61 G C -0.931 173.850 174.900 -0.198 0.000 1.289 61 G CA -0.194 44.810 45.100 -0.160 0.000 0.869 61 G HN 0.576 nan 8.290 nan 0.000 0.543 62 L N 1.348 122.448 121.223 -0.205 0.000 2.482 62 L HA 0.254 4.594 4.340 -0.001 0.000 0.263 62 L C -0.795 175.955 176.870 -0.200 0.000 0.957 62 L CA -0.884 53.795 54.840 -0.269 0.000 0.836 62 L CB 2.635 44.453 42.059 -0.403 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 4.598 4.340 -0.001 0.000 0.262 63 Q C -0.595 175.374 176.000 -0.051 0.000 1.318 63 Q CA -0.185 55.568 55.803 -0.084 0.000 1.089 63 Q CB 0.675 29.392 28.738 -0.036 0.000 1.424 63 Q HN 0.309 nan 8.270 nan 0.000 0.560 64 V N 3.505 123.371 119.914 -0.080 0.000 2.409 64 V HA 0.101 4.221 4.120 -0.001 0.000 0.270 64 V C -1.832 174.284 176.094 0.037 0.000 1.019 64 V CA -1.349 60.945 62.300 -0.011 0.000 1.066 64 V CB -0.319 31.477 31.823 -0.044 0.000 1.021 64 V HN 0.495 nan 8.190 nan 0.000 0.476 65 P HA 0.187 nan 4.420 nan 0.000 0.268 65 P C -2.011 175.314 177.300 0.042 0.000 1.205 65 P CA -1.356 61.775 63.100 0.052 0.000 0.771 65 P CB 0.136 31.869 31.700 0.055 0.000 0.858 66 P HA -0.176 nan 4.420 nan 0.000 0.219 66 P C 1.217 178.538 177.300 0.034 0.000 1.146 66 P CA 1.314 64.429 63.100 0.025 0.000 0.808 66 P CB 0.047 31.756 31.700 0.016 0.000 0.779 67 E N 0.290 120.510 120.200 0.033 0.000 2.038 67 E HA -0.097 4.253 4.350 -0.001 0.000 0.195 67 E C 1.121 177.755 176.600 0.056 0.000 1.000 67 E CA 0.874 57.296 56.400 0.037 0.000 0.803 67 E CB -1.066 28.643 29.700 0.014 0.000 0.750 67 E HN 0.147 nan 8.360 nan 0.000 0.448 68 A N 2.314 125.168 122.820 0.057 0.000 2.444 68 A HA 0.317 4.637 4.320 -0.001 0.000 0.273 68 A C 0.023 177.664 177.584 0.095 0.000 1.136 68 A CA -0.067 52.016 52.037 0.077 0.000 0.799 68 A CB 0.214 19.265 19.000 0.084 0.000 1.081 68 A HN -0.030 nan 8.150 nan 0.000 0.509 69 V N 3.025 123.016 119.914 0.127 0.000 2.864 69 V HA 0.337 4.457 4.120 -0.001 0.000 0.314 69 V C 0.889 177.105 176.094 0.203 0.000 1.073 69 V CA -0.530 61.844 62.300 0.123 0.000 0.956 69 V CB 1.637 33.517 31.823 0.094 0.000 1.023 69 V HN 1.058 nan 8.190 nan 0.000 0.435 70 N N 2.231 120.995 118.700 0.106 0.000 2.693 70 N HA -0.253 4.487 4.740 -0.001 0.000 0.250 70 N C 0.888 176.545 175.510 0.245 0.000 1.033 70 N CA 1.551 54.667 53.050 0.109 0.000 0.747 70 N CB -0.422 37.978 38.487 -0.146 0.000 0.964 70 N HN 0.866 nan 8.380 nan 0.000 0.540 71 M N -2.168 117.537 119.600 0.175 0.000 2.558 71 M HA 0.155 4.634 4.480 -0.001 0.000 0.255 71 M C 0.299 176.661 176.300 0.103 0.000 1.113 71 M CA 0.732 56.114 55.300 0.137 0.000 1.097 71 M CB 0.139 32.806 32.600 0.112 0.000 1.426 71 M HN 0.063 nan 8.290 nan 0.000 0.488 72 S N 2.960 118.713 115.700 0.089 0.000 3.255 72 S HA -0.087 4.383 4.470 -0.001 0.000 0.358 72 S C 0.164 174.793 174.600 0.049 0.000 0.915 72 S CA 0.557 58.794 58.200 0.062 0.000 1.335 72 S CB -2.327 60.912 63.200 0.066 0.000 0.938 72 S HN 0.679 nan 8.310 nan 0.000 0.550 73 L N -0.969 120.285 121.223 0.051 0.000 2.474 73 L HA 0.764 5.103 4.340 -0.001 0.000 0.259 73 L C 1.515 178.389 176.870 0.006 0.000 1.232 73 L CA 0.737 55.609 54.840 0.055 0.000 0.821 73 L CB -0.251 41.870 42.059 0.103 0.000 1.108 73 L HN 0.655 nan 8.230 nan 0.000 0.495 74 G N -0.170 108.628 108.800 -0.003 0.000 2.268 74 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.240 74 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.240 74 G C 0.656 175.521 174.900 -0.058 0.000 1.010 74 G CA 0.495 45.572 45.100 -0.037 0.000 0.618 74 G HN 0.970 nan 8.290 nan 0.000 0.516 75 L N 1.682 122.869 121.223 -0.060 0.000 2.043 75 L HA 0.320 4.659 4.340 -0.001 0.000 0.212 75 L C 1.461 178.227 176.870 -0.173 0.000 1.075 75 L CA 2.892 57.669 54.840 -0.106 0.000 0.752 75 L CB -0.331 41.666 42.059 -0.103 0.000 0.891 75 L HN 0.562 nan 8.230 nan 0.000 0.432 76 S N -1.006 114.595 115.700 -0.165 0.000 2.454 76 S HA 0.663 5.133 4.470 -0.001 0.000 0.306 76 S C -0.710 173.835 174.600 -0.092 0.000 1.100 76 S CA -0.812 57.275 58.200 -0.188 0.000 1.087 76 S CB 0.529 63.587 63.200 -0.235 0.000 1.019 76 S HN 0.195 nan 8.310 nan 0.000 0.480 77 L N 2.798 123.981 121.223 -0.067 0.000 2.327 77 L HA 0.998 5.337 4.340 -0.001 0.000 0.258 77 L C -0.602 176.295 176.870 0.043 0.000 1.024 77 L CA -0.940 53.897 54.840 -0.005 0.000 0.825 77 L CB 2.214 44.268 42.059 -0.008 0.000 1.386 77 L HN 0.807 nan 8.230 nan 0.000 0.417 78 A N 0.804 123.702 122.820 0.130 0.000 2.583 78 A HA 0.644 4.964 4.320 -0.001 0.000 0.298 78 A C -1.464 176.372 177.584 0.420 0.000 1.055 78 A CA -0.356 51.831 52.037 0.250 0.000 0.714 78 A CB 1.836 20.982 19.000 0.244 0.000 1.277 78 A HN 0.444 nan 8.150 nan 0.000 0.406 79 S N 0.119 115.974 115.700 0.259 0.000 2.541 79 S HA 0.851 5.321 4.470 -0.001 0.000 0.280 79 S C -0.354 173.967 174.600 -0.465 0.000 1.112 79 S CA 0.263 58.438 58.200 -0.041 0.000 0.925 79 S CB 1.851 65.082 63.200 0.052 0.000 1.067 79 S HN 1.586 nan 8.310 nan 0.000 0.479 80 T N 0.542 114.482 114.554 -1.024 0.000 2.949 80 T HA 0.613 4.963 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 0.098 61.730 62.100 -0.780 0.000 1.018 80 T CB 1.281 69.502 68.868 -1.078 0.000 1.135 80 T HN 0.810 nan 8.240 nan 0.000 0.532 81 T N -0.907 113.506 114.554 -0.235 0.000 3.040 81 T HA 0.248 4.598 4.350 -0.001 0.000 0.266 81 T C 1.772 176.406 174.700 -0.110 0.000 1.005 81 T CA 0.097 62.107 62.100 -0.150 0.000 0.906 81 T CB 0.037 68.849 68.868 -0.094 0.000 1.082 81 T HN 0.337 nan 8.240 nan 0.000 0.531 82 S N 2.682 118.319 115.700 -0.104 0.000 2.343 82 S HA 0.151 4.621 4.470 -0.001 0.000 0.212 82 S C -1.397 173.182 174.600 -0.035 0.000 1.033 82 S CA 0.553 58.726 58.200 -0.045 0.000 1.004 82 S CB -0.901 62.291 63.200 -0.012 0.000 0.977 82 S HN 0.487 nan 8.310 nan 0.000 0.427 83 P HA 0.331 nan 4.420 nan 0.000 0.290 83 P C -1.210 176.040 177.300 -0.084 0.000 1.275 83 P CA -0.399 62.677 63.100 -0.040 0.000 0.841 83 P CB 1.098 32.792 31.700 -0.009 0.000 1.042 84 S N 2.042 117.678 115.700 -0.107 0.000 2.506 84 S HA 0.135 4.604 4.470 -0.001 0.000 0.291 84 S C -0.130 174.397 174.600 -0.120 0.000 1.230 84 S CA -0.272 57.824 58.200 -0.174 0.000 1.107 84 S CB -0.424 62.635 63.200 -0.235 0.000 0.942 84 S HN 0.396 nan 8.310 nan 0.000 0.502 85 Q N 1.658 121.383 119.800 -0.125 0.000 2.544 85 Q HA 0.755 5.095 4.340 -0.001 0.000 0.291 85 Q C -1.222 174.852 176.000 0.123 0.000 1.068 85 Q CA -0.993 54.839 55.803 0.050 0.000 0.785 85 Q CB 2.319 31.131 28.738 0.124 0.000 1.481 85 Q HN 0.747 nan 8.270 nan 0.000 0.430 86 L N 0.888 122.301 121.223 0.317 0.000 2.376 86 L HA 0.664 5.003 4.340 -0.001 0.000 0.258 86 L C -2.065 175.008 176.870 0.338 0.000 1.013 86 L CA -1.029 54.007 54.840 0.326 0.000 0.822 86 L CB 2.194 44.367 42.059 0.190 0.000 1.388 86 L HN 0.540 nan 8.230 nan 0.000 0.413 87 L N 3.418 124.827 121.223 0.310 0.000 2.457 87 L HA 0.801 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 -0.082 54.862 54.840 0.173 0.000 0.857 87 L CB 1.197 43.301 42.059 0.076 0.000 1.213 87 L HN 0.672 nan 8.230 nan 0.000 0.418 88 A N 3.533 126.407 122.820 0.089 0.000 2.294 88 A HA 0.887 5.206 4.320 -0.001 0.000 0.330 88 A C -0.865 176.793 177.584 0.124 0.000 1.133 88 A CA -0.387 51.699 52.037 0.082 0.000 0.836 88 A CB 1.176 20.211 19.000 0.059 0.000 1.190 88 A HN 0.752 nan 8.150 nan 0.000 0.492 89 c N -0.049 118.600 118.600 0.083 0.000 2.782 89 c HA 0.646 5.216 4.570 -0.001 0.000 0.328 89 c C 0.571 174.697 174.090 0.059 0.000 1.145 89 c CA -0.586 55.767 56.329 0.039 0.000 1.358 89 c CB 1.390 43.876 42.510 -0.040 0.000 1.841 89 c HN 1.165 nan 8.230 nan 0.000 0.477 90 G N 2.812 111.660 108.800 0.080 0.000 2.457 90 G HA2 0.489 4.449 3.960 -0.001 0.000 0.316 90 G HA3 0.489 4.449 3.960 -0.001 0.000 0.316 90 G C -2.303 172.604 174.900 0.012 0.000 1.030 90 G CA -0.844 44.292 45.100 0.061 0.000 1.073 90 G HN 0.560 nan 8.290 nan 0.000 0.430 91 P HA 0.137 nan 4.420 nan 0.000 0.255 91 P C 0.571 177.903 177.300 0.053 0.000 1.427 91 P CA 0.400 63.527 63.100 0.045 0.000 0.863 91 P CB 0.440 32.190 31.700 0.084 0.000 1.444 92 T N -4.605 109.967 114.554 0.028 0.000 3.884 92 T HA 0.206 4.556 4.350 -0.001 0.000 0.284 92 T C 0.017 174.682 174.700 -0.058 0.000 0.961 92 T CA -0.362 61.733 62.100 -0.007 0.000 1.071 92 T CB -0.861 68.062 68.868 0.093 0.000 1.121 92 T HN -0.298 nan 8.240 nan 0.000 0.496 93 V N 2.293 122.177 119.914 -0.051 0.000 2.740 93 V HA 0.255 4.375 4.120 -0.001 0.000 0.303 93 V C 0.019 176.050 176.094 -0.105 0.000 1.054 93 V CA 0.004 62.311 62.300 0.012 0.000 1.106 93 V CB -0.151 31.683 31.823 0.017 0.000 0.957 93 V HN 0.657 nan 8.190 nan 0.000 0.486 94 H N 2.675 121.796 119.070 0.085 0.000 2.587 94 H HA 0.553 5.108 4.556 -0.001 0.000 0.325 94 H C -0.283 175.102 175.328 0.095 0.000 1.012 94 H CA -0.541 55.542 56.048 0.059 0.000 1.213 94 H CB 0.734 30.503 29.762 0.011 0.000 1.431 94 H HN 0.921 nan 8.280 nan 0.000 0.492 95 H N 0.165 119.297 119.070 0.104 0.000 2.539 95 H HA 0.303 4.859 4.556 -0.001 0.000 0.332 95 H C -0.647 174.728 175.328 0.078 0.000 1.031 95 H CA -1.164 54.931 56.048 0.079 0.000 1.206 95 H CB 0.914 30.710 29.762 0.056 0.000 1.446 95 H HN 0.621 nan 8.280 nan 0.000 0.496 96 E N 2.861 123.082 120.200 0.036 0.000 2.166 96 E HA 0.159 4.509 4.350 -0.001 0.000 0.279 96 E C -0.485 176.132 176.600 0.029 0.000 1.095 96 E CA -0.633 55.754 56.400 -0.022 0.000 0.888 96 E CB 0.587 30.286 29.700 -0.000 0.000 1.041 96 E HN 0.645 nan 8.360 nan 0.000 0.414 97 c N 3.991 122.592 118.600 0.001 0.000 2.589 97 c HA 0.412 4.981 4.570 -0.001 0.000 0.307 97 c C 1.385 175.500 174.090 0.043 0.000 1.328 97 c CA 0.231 56.611 56.329 0.084 0.000 1.742 97 c CB -1.402 41.224 42.510 0.194 0.000 2.037 97 c HN 1.107 nan 8.230 nan 0.000 0.592 98 G N 2.780 111.583 108.800 0.005 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 1.216 176.103 174.900 -0.021 0.000 1.592 98 G CA 0.414 45.514 45.100 0.000 0.000 1.055 98 G HN 0.436 nan 8.290 nan 0.000 0.582 99 R N 1.779 122.274 120.500 -0.008 0.000 2.113 99 R HA -0.104 4.236 4.340 -0.001 0.000 0.244 99 R C 0.677 176.942 176.300 -0.059 0.000 1.142 99 R CA 2.197 58.287 56.100 -0.016 0.000 0.953 99 R CB -0.746 29.561 30.300 0.011 0.000 0.860 99 R HN 1.114 nan 8.270 nan 0.000 0.438 100 N N 0.322 118.950 118.700 -0.120 0.000 2.431 100 N HA 0.199 4.939 4.740 -0.001 0.000 0.275 100 N C -0.671 174.515 175.510 -0.541 0.000 1.091 100 N CA -1.016 51.873 53.050 -0.268 0.000 0.922 100 N CB 1.124 39.456 38.487 -0.258 0.000 1.666 100 N HN 0.285 nan 8.380 nan 0.000 0.484 101 M N -0.301 119.005 119.600 -0.489 0.000 2.267 101 M HA 0.641 5.121 4.480 -0.001 0.000 0.303 101 M C -1.007 174.805 176.300 -0.813 0.000 1.164 101 M CA -0.111 54.861 55.300 -0.547 0.000 1.060 101 M CB 0.743 33.206 32.600 -0.229 0.000 1.455 101 M HN 0.517 nan 8.290 nan 0.000 0.483 102 Y N -0.597 119.486 120.300 -0.361 0.000 2.965 102 Y HA 0.758 5.305 4.550 -0.006 0.000 0.310 102 Y C -1.032 174.742 175.900 -0.210 0.000 1.480 102 Y CA -1.090 56.876 58.100 -0.223 0.000 1.094 102 Y CB 1.417 39.800 38.460 -0.129 0.000 1.377 102 Y HN 0.542 nan 8.280 nan 0.000 0.514 103 L N 0.221 121.492 121.223 0.079 0.000 2.406 103 L HA 0.450 4.790 4.340 -0.001 0.000 0.272 103 L C 0.245 177.118 176.870 0.006 0.000 0.980 103 L CA -0.219 54.593 54.840 -0.047 0.000 0.831 103 L CB 2.116 44.108 42.059 -0.111 0.000 1.253 103 L HN 0.828 nan 8.230 nan 0.000 0.406 104 T N 0.913 115.472 114.554 0.008 0.000 3.056 104 T HA 0.443 4.793 4.350 -0.001 0.000 0.243 104 T C 0.621 175.261 174.700 -0.101 0.000 0.995 104 T CA 0.602 62.664 62.100 -0.064 0.000 1.091 104 T CB 0.237 69.037 68.868 -0.114 0.000 0.990 104 T HN 0.979 nan 8.240 nan 0.000 0.464 105 G N 1.123 109.875 108.800 -0.079 0.000 2.785 105 G HA2 0.166 4.126 3.960 -0.001 0.000 0.686 105 G HA3 0.166 4.126 3.960 -0.001 0.000 0.686 105 G C -1.291 173.522 174.900 -0.145 0.000 1.155 105 G CA -0.295 44.753 45.100 -0.085 0.000 0.760 105 G HN 0.951 nan 8.290 nan 0.000 0.624 106 L N 2.214 123.332 121.223 -0.174 0.000 2.505 106 L HA 0.814 5.153 4.340 -0.001 0.000 0.266 106 L C -0.085 176.492 176.870 -0.489 0.000 0.954 106 L CA -0.650 53.995 54.840 -0.325 0.000 0.852 106 L CB 1.707 43.586 42.059 -0.301 0.000 1.282 106 L HN 1.015 nan 8.230 nan 0.000 0.403 107 c N 3.234 121.468 118.600 -0.610 0.000 2.595 107 c HA 0.780 5.349 4.570 -0.001 0.000 0.338 107 c C -0.905 172.663 174.090 -0.870 0.000 1.219 107 c CA -0.633 55.346 56.329 -0.584 0.000 1.811 107 c CB 1.621 43.951 42.510 -0.300 0.000 2.313 107 c HN 0.690 nan 8.230 nan 0.000 0.499 108 F N 1.189 121.078 119.950 -0.102 0.000 2.557 108 F HA 0.581 5.108 4.527 -0.001 0.000 0.316 108 F C -0.291 175.467 175.800 -0.069 0.000 1.141 108 F CA -0.601 57.344 58.000 -0.091 0.000 0.922 108 F CB 0.751 39.701 39.000 -0.084 0.000 1.194 108 F HN 0.125 nan 8.300 nan 0.000 0.443 109 L N 4.864 126.140 121.223 0.090 0.000 2.265 109 L HA 0.500 4.840 4.340 -0.001 0.000 0.289 109 L C -0.642 176.280 176.870 0.086 0.000 1.033 109 L CA -0.535 54.356 54.840 0.085 0.000 0.814 109 L CB 0.998 43.084 42.059 0.046 0.000 1.203 109 L HN 0.550 nan 8.230 nan 0.000 0.423 110 L N 2.556 123.832 121.223 0.087 0.000 2.693 110 L HA 0.950 5.290 4.340 -0.001 0.000 0.253 110 L C 0.657 177.589 176.870 0.103 0.000 1.155 110 L CA -0.315 54.554 54.840 0.048 0.000 1.026 110 L CB 1.021 43.053 42.059 -0.044 0.000 1.817 110 L HN 0.665 nan 8.230 nan 0.000 0.556 111 G N -1.502 107.364 108.800 0.109 0.000 2.343 111 G HA2 0.080 4.039 3.960 -0.001 0.000 0.465 111 G HA3 0.080 4.039 3.960 -0.001 0.000 0.465 111 G C -2.759 172.191 174.900 0.082 0.000 1.282 111 G CA -0.802 44.397 45.100 0.165 0.000 0.996 111 G HN 0.345 nan 8.290 nan 0.000 0.521 112 P HA 0.247 nan 4.420 nan 0.000 0.237 112 P C 0.521 177.834 177.300 0.023 0.000 1.723 112 P CA 1.189 64.307 63.100 0.029 0.000 0.882 112 P CB -0.205 31.505 31.700 0.017 0.000 1.810 113 T N -4.113 110.456 114.554 0.025 0.000 2.606 113 T HA 0.299 4.649 4.350 -0.001 0.000 0.232 113 T C -0.658 174.052 174.700 0.016 0.000 0.853 113 T CA -0.682 61.431 62.100 0.021 0.000 1.301 113 T CB 0.721 69.606 68.868 0.028 0.000 1.633 113 T HN -0.069 nan 8.240 nan 0.000 0.448 114 Q N 0.732 120.541 119.800 0.017 0.000 2.243 114 Q HA 0.548 4.888 4.340 -0.001 0.000 0.252 114 Q C -0.700 175.308 176.000 0.014 0.000 0.909 114 Q CA -0.494 55.315 55.803 0.010 0.000 0.922 114 Q CB 1.520 30.263 28.738 0.008 0.000 1.215 114 Q HN 0.410 nan 8.270 nan 0.000 0.427 115 L N 3.393 124.620 121.223 0.007 0.000 2.448 115 L HA 0.097 4.436 4.340 -0.001 0.000 0.278 115 L C -0.013 176.872 176.870 0.024 0.000 1.201 115 L CA -0.096 54.752 54.840 0.013 0.000 1.036 115 L CB -0.463 41.594 42.059 -0.003 0.000 1.325 115 L HN 0.646 nan 8.230 nan 0.000 0.441 116 T N 2.105 116.673 114.554 0.023 0.000 2.868 116 T HA 0.313 4.663 4.350 -0.001 0.000 0.292 116 T C -0.041 174.661 174.700 0.004 0.000 1.028 116 T CA -0.410 61.690 62.100 -0.000 0.000 1.059 116 T CB 1.013 69.868 68.868 -0.022 0.000 0.991 116 T HN 0.461 nan 8.240 nan 0.000 0.531 117 Q N 0.907 120.675 119.800 -0.053 0.000 2.285 117 Q HA 0.485 4.825 4.340 -0.001 0.000 0.269 117 Q C -0.698 175.166 176.000 -0.228 0.000 1.030 117 Q CA -0.603 55.118 55.803 -0.137 0.000 0.788 117 Q CB 2.449 31.130 28.738 -0.095 0.000 1.266 117 Q HN 0.366 nan 8.270 nan 0.000 0.438 118 R N 2.910 123.208 120.500 -0.337 0.000 2.718 118 R HA 0.190 4.530 4.340 -0.001 0.000 0.266 118 R C -0.408 175.552 176.300 -0.567 0.000 1.776 118 R CA 0.005 55.851 56.100 -0.423 0.000 1.567 118 R CB 0.677 30.701 30.300 -0.460 0.000 1.336 118 R HN 0.702 nan 8.270 nan 0.000 0.619 119 L N 1.800 122.784 121.223 -0.398 0.000 2.529 119 L HA 0.288 4.627 4.340 -0.001 0.000 0.223 119 L C -1.768 175.027 176.870 -0.125 0.000 1.113 119 L CA 0.275 54.940 54.840 -0.291 0.000 0.861 119 L CB 0.512 42.420 42.059 -0.251 0.000 1.012 119 L HN 0.220 nan 8.230 nan 0.000 0.461 120 P HA 0.250 nan 4.420 nan 0.000 0.247 120 P C 0.328 177.534 177.300 -0.157 0.000 1.683 120 P CA -0.024 62.955 63.100 -0.203 0.000 1.143 120 P CB 1.423 33.020 31.700 -0.173 0.000 1.577 121 V N 1.339 121.145 119.914 -0.180 0.000 2.471 121 V HA -0.281 3.838 4.120 -0.001 0.000 0.132 121 V C 1.024 177.052 176.094 -0.111 0.000 0.451 121 V CA 1.970 64.184 62.300 -0.144 0.000 1.274 121 V CB -2.705 29.045 31.823 -0.122 0.000 1.494 121 V HN 0.788 nan 8.190 nan 0.000 1.012 122 S N 2.225 117.856 115.700 -0.115 0.000 3.024 122 S HA 0.294 4.763 4.470 -0.001 0.000 0.316 122 S C 0.654 175.177 174.600 -0.129 0.000 1.197 122 S CA -0.190 57.947 58.200 -0.105 0.000 1.097 122 S CB -0.074 63.066 63.200 -0.101 0.000 1.471 122 S HN 0.852 nan 8.310 nan 0.000 0.543 123 R N 2.658 123.090 120.500 -0.114 0.000 2.501 123 R HA -0.055 4.285 4.340 -0.001 0.000 0.319 123 R C -0.485 175.713 176.300 -0.170 0.000 0.913 123 R CA 0.188 56.211 56.100 -0.128 0.000 1.104 123 R CB -0.195 30.054 30.300 -0.084 0.000 0.901 123 R HN 0.618 nan 8.270 nan 0.000 0.407 124 Q N 3.304 122.954 119.800 -0.250 0.000 2.337 124 Q HA -0.020 4.320 4.340 -0.001 0.000 0.255 124 Q C -0.377 175.406 176.000 -0.363 0.000 1.205 124 Q CA 0.472 56.089 55.803 -0.310 0.000 0.902 124 Q CB 0.415 28.929 28.738 -0.372 0.000 1.433 124 Q HN 0.578 nan 8.270 nan 0.000 0.471 125 E N 0.835 120.916 120.200 -0.199 0.000 2.422 125 E HA -0.021 4.328 4.350 -0.001 0.000 0.260 125 E C -0.001 176.563 176.600 -0.061 0.000 1.108 125 E CA -0.419 55.916 56.400 -0.108 0.000 0.943 125 E CB 0.634 30.299 29.700 -0.058 0.000 0.961 125 E HN 0.558 nan 8.360 nan 0.000 0.443 126 c N 2.285 120.925 118.600 0.067 0.000 2.767 126 c HA 0.162 4.731 4.570 -0.001 0.000 0.353 126 c C -1.300 172.826 174.090 0.061 0.000 1.376 126 c CA -1.089 55.335 56.329 0.158 0.000 2.284 126 c CB -1.356 41.272 42.510 0.196 0.000 2.535 126 c HN 0.681 nan 8.230 nan 0.000 0.745 327 S N -0.206 115.489 115.700 -0.008 0.000 2.501 327 S HA 0.455 4.925 4.470 -0.001 0.000 0.250 327 S C -0.244 174.354 174.600 -0.004 0.000 0.959 327 S CA -0.496 57.645 58.200 -0.098 0.000 1.250 327 S CB -0.286 62.737 63.200 -0.296 0.000 0.933 327 S HN 0.390 nan 8.310 nan 0.000 0.420 328 F N 3.315 123.286 119.950 0.035 0.000 2.640 328 F HA 0.082 4.607 4.527 -0.003 0.000 0.329 328 F C 1.820 177.612 175.800 -0.015 0.000 1.224 328 F CA 0.999 58.972 58.000 -0.046 0.000 1.373 328 F CB 0.493 39.405 39.000 -0.148 0.000 1.129 328 F HN 0.076 nan 8.300 nan 0.000 0.610 329 E N 0.258 120.538 120.200 0.133 0.000 2.907 329 E HA 0.341 4.691 4.350 -0.001 0.000 0.197 329 E C 0.026 176.526 176.600 -0.166 0.000 1.150 329 E CA 0.265 56.720 56.400 0.091 0.000 1.134 329 E CB 0.151 29.879 29.700 0.047 0.000 2.214 329 E HN 0.411 nan 8.360 nan 0.000 0.541 330 L N 1.897 123.007 121.223 -0.188 0.000 2.613 330 L HA 0.226 4.566 4.340 -0.001 0.000 0.275 330 L C 0.048 176.766 176.870 -0.253 0.000 1.453 330 L CA 0.030 54.702 54.840 -0.280 0.000 0.725 330 L CB 1.014 42.920 42.059 -0.254 0.000 1.013 330 L HN -0.017 nan 8.230 nan 0.000 0.520 331 E N 0.559 120.589 120.200 -0.284 0.000 2.206 331 E HA 0.216 4.565 4.350 -0.001 0.000 0.195 331 E C 0.668 177.166 176.600 -0.169 0.000 0.935 331 E CA 0.910 57.125 56.400 -0.309 0.000 0.875 331 E CB 0.383 29.632 29.700 -0.752 0.000 0.841 331 E HN 0.353 nan 8.360 nan 0.000 0.477 332 M N 0.064 119.471 119.600 -0.322 0.000 3.074 332 M HA 0.486 4.966 4.480 -0.001 0.000 0.252 332 M C 0.229 176.257 176.300 -0.454 0.000 1.181 332 M CA -0.244 54.888 55.300 -0.279 0.000 0.771 332 M CB 1.376 33.838 32.600 -0.229 0.000 1.375 332 M HN 0.045 nan 8.290 nan 0.000 0.512 333 A N -0.126 122.497 122.820 -0.329 0.000 2.267 333 A HA 0.095 4.415 4.320 -0.001 0.000 0.213 333 A C 1.139 178.649 177.584 -0.122 0.000 1.192 333 A CA 0.137 52.005 52.037 -0.282 0.000 0.851 333 A CB 0.045 18.896 19.000 -0.249 0.000 0.881 333 A HN 0.733 nan 8.150 nan 0.000 0.494 334 Q N 0.489 120.236 119.800 -0.089 0.000 2.395 334 Q HA -0.232 4.108 4.340 -0.001 0.000 0.326 334 Q C 0.023 176.036 176.000 0.022 0.000 1.302 334 Q CA 0.880 56.673 55.803 -0.017 0.000 0.949 334 Q CB -1.444 27.316 28.738 0.035 0.000 1.204 334 Q HN 0.864 nan 8.270 nan 0.000 0.444 335 E N -0.518 119.670 120.200 -0.020 0.000 2.534 335 E HA 0.060 4.410 4.350 -0.001 0.000 0.264 335 E C 1.265 177.880 176.600 0.026 0.000 0.981 335 E CA 1.119 57.532 56.400 0.022 0.000 0.948 335 E CB 0.099 29.762 29.700 -0.061 0.000 0.934 335 E HN 0.498 nan 8.360 nan 0.000 0.459 336 G N 3.644 112.483 108.800 0.066 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 0.352 175.269 174.900 0.029 0.000 0.982 336 G CA 0.218 45.330 45.100 0.020 0.000 0.650 336 G HN 0.653 nan 8.290 nan 0.000 0.527 337 F N 2.516 122.425 119.950 -0.068 0.000 2.202 337 F HA 0.190 4.723 4.527 0.010 0.000 0.301 337 F C 1.390 177.109 175.800 -0.135 0.000 1.082 337 F CA 2.193 60.123 58.000 -0.116 0.000 1.313 337 F CB 0.183 39.097 39.000 -0.144 0.000 1.024 337 F HN 0.712 nan 8.300 nan 0.000 0.495 338 S N -0.485 115.213 115.700 -0.004 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 -0.004 0.000 1.168 338 S CA -0.387 57.772 58.200 -0.067 0.000 0.963 338 S CB 1.136 64.331 63.200 -0.008 0.000 1.078 338 S HN 0.491 nan 8.310 nan 0.000 0.477 339 A N 1.754 124.558 122.820 -0.027 0.000 2.454 339 A HA 0.986 5.306 4.320 -0.001 0.000 0.302 339 A C -0.915 176.667 177.584 -0.004 0.000 1.079 339 A CA -1.012 51.007 52.037 -0.031 0.000 0.731 339 A CB 1.987 20.938 19.000 -0.083 0.000 1.299 339 A HN 1.937 nan 8.150 nan 0.000 0.413 340 V N 1.978 121.881 119.914 -0.018 0.000 3.000 340 V HA 0.629 4.748 4.120 -0.001 0.000 0.300 340 V C -1.243 174.888 176.094 0.061 0.000 1.251 340 V CA -0.764 61.589 62.300 0.089 0.000 0.972 340 V CB 1.497 33.376 31.823 0.094 0.000 1.065 340 V HN 0.877 nan 8.190 nan 0.000 0.431 341 F N 3.150 123.125 119.950 0.042 0.000 2.239 341 F HA 0.781 5.308 4.527 0.000 0.000 0.288 341 F C 0.894 176.721 175.800 0.046 0.000 1.225 341 F CA 0.866 58.895 58.000 0.049 0.000 1.162 341 F CB 1.207 40.234 39.000 0.045 0.000 1.484 341 F HN 0.657 nan 8.300 nan 0.000 0.512 342 T N -0.959 113.760 114.554 0.275 0.000 3.094 342 T HA 0.175 4.524 4.350 -0.001 0.000 0.373 342 T C -2.449 172.340 174.700 0.148 0.000 1.806 342 T CA -1.068 61.129 62.100 0.163 0.000 1.107 342 T CB 0.962 69.895 68.868 0.108 0.000 1.632 342 T HN 0.132 nan 8.240 nan 0.000 0.488 343 P HA -0.079 nan 4.420 nan 0.000 0.218 343 P C 0.089 177.447 177.300 0.097 0.000 1.150 343 P CA 1.547 64.704 63.100 0.095 0.000 0.841 343 P CB -0.116 31.629 31.700 0.076 0.000 0.784 344 D N -1.437 119.022 120.400 0.099 0.000 3.133 344 D HA 0.451 5.091 4.640 -0.001 0.000 0.288 344 D C 0.532 176.897 176.300 0.109 0.000 1.346 344 D CA -0.649 53.411 54.000 0.099 0.000 0.934 344 D CB -0.628 40.230 40.800 0.097 0.000 1.042 344 D HN 0.147 nan 8.370 nan 0.000 0.506 345 G N 0.860 109.733 108.800 0.121 0.000 2.716 345 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.686 345 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.686 345 G C -2.763 172.198 174.900 0.102 0.000 1.337 345 G CA -1.112 44.063 45.100 0.124 0.000 0.829 345 G HN 0.272 nan 8.290 nan 0.000 0.599 346 P HA 0.441 nan 4.420 nan 0.000 0.273 346 P C -0.104 177.205 177.300 0.015 0.000 1.258 346 P CA -0.353 62.665 63.100 -0.137 0.000 0.802 346 P CB 0.626 32.121 31.700 -0.342 0.000 1.040 347 V N 0.654 120.544 119.914 -0.040 0.000 2.610 347 V HA 0.185 4.305 4.120 -0.001 0.000 0.288 347 V C -0.569 175.549 176.094 0.040 0.000 1.055 347 V CA -0.374 61.950 62.300 0.041 0.000 0.902 347 V CB 1.325 33.153 31.823 0.010 0.000 1.030 347 V HN 0.267 nan 8.190 nan 0.000 0.448 348 L N 3.338 124.645 121.223 0.140 0.000 2.352 348 L HA 0.912 5.252 4.340 -0.001 0.000 0.269 348 L C 0.848 177.814 176.870 0.161 0.000 1.034 348 L CA 0.126 55.042 54.840 0.127 0.000 0.806 348 L CB 1.557 43.706 42.059 0.150 0.000 1.244 348 L HN 0.689 nan 8.230 nan 0.000 0.447 349 G N 0.343 109.228 108.800 0.142 0.000 2.417 349 G HA2 0.697 4.656 3.960 -0.001 0.000 0.320 349 G HA3 0.697 4.656 3.960 -0.001 0.000 0.320 349 G C -1.099 173.911 174.900 0.183 0.000 1.204 349 G CA -0.351 44.839 45.100 0.149 0.000 0.923 349 G HN 0.793 nan 8.290 nan 0.000 0.466 350 A N 1.370 124.316 122.820 0.210 0.000 2.303 350 A HA 0.699 5.019 4.320 -0.001 0.000 0.317 350 A C 1.135 178.764 177.584 0.076 0.000 1.149 350 A CA -0.035 52.098 52.037 0.160 0.000 0.822 350 A CB 1.582 20.747 19.000 0.274 0.000 1.131 350 A HN 1.551 nan 8.150 nan 0.000 0.493 351 V N -0.806 119.115 119.914 0.013 0.000 3.090 351 V HA 0.349 4.469 4.120 -0.001 0.000 0.237 351 V C 1.357 177.472 176.094 0.035 0.000 1.209 351 V CA 1.110 63.467 62.300 0.096 0.000 1.209 351 V CB -0.654 31.258 31.823 0.149 0.000 0.971 351 V HN 1.006 nan 8.190 nan 0.000 0.477 352 G N 1.271 109.890 108.800 -0.302 0.000 3.496 352 G HA2 0.233 4.192 3.960 -0.001 0.000 0.273 352 G HA3 0.233 4.192 3.960 -0.001 0.000 0.273 352 G C 0.278 174.693 174.900 -0.808 0.000 1.279 352 G CA 0.198 44.704 45.100 -0.990 0.000 1.041 352 G HN 0.404 nan 8.290 nan 0.000 0.539 353 S N 1.280 116.642 115.700 -0.562 0.000 2.429 353 S HA 0.415 4.885 4.470 -0.001 0.000 0.292 353 S C 0.478 174.529 174.600 -0.914 0.000 1.183 353 S CA -0.388 57.225 58.200 -0.978 0.000 1.088 353 S CB -0.186 62.444 63.200 -0.950 0.000 1.018 353 S HN 0.459 nan 8.310 nan 0.000 0.511 354 F N 0.060 119.949 119.950 -0.102 0.000 2.223 354 F HA -0.322 4.203 4.527 -0.004 0.000 0.395 354 F C 1.751 177.574 175.800 0.039 0.000 0.497 354 F CA 1.157 59.150 58.000 -0.013 0.000 0.897 354 F CB -2.089 36.916 39.000 0.009 0.000 3.931 354 F HN 0.484 nan 8.300 nan 0.000 0.160 355 T N -2.982 111.769 114.554 0.329 0.000 3.535 355 T HA 0.308 4.658 4.350 -0.001 0.000 0.238 355 T C -0.173 174.725 174.700 0.330 0.000 0.909 355 T CA 0.459 62.738 62.100 0.299 0.000 0.928 355 T CB -1.505 67.497 68.868 0.224 0.000 1.134 355 T HN 0.588 nan 8.240 nan 0.000 0.627 356 W N 0.107 121.413 121.300 0.010 0.000 5.271 356 W HA -0.304 4.409 4.660 0.088 0.000 0.364 356 W C 1.838 178.311 176.519 -0.078 0.000 1.342 356 W CA 0.549 57.840 57.345 -0.089 0.000 0.899 356 W CB -2.410 26.946 29.460 -0.174 0.000 2.450 356 W HN 0.543 nan 8.180 nan 0.000 1.508 357 S N -0.175 115.619 115.700 0.157 0.000 2.344 357 S HA 0.267 4.737 4.470 -0.001 0.000 0.217 357 S C 1.455 176.122 174.600 0.112 0.000 1.033 357 S CA 2.665 60.959 58.200 0.157 0.000 1.017 357 S CB -0.381 62.980 63.200 0.267 0.000 0.941 357 S HN 1.364 nan 8.310 nan 0.000 0.430 358 G N -1.779 107.057 108.800 0.061 0.000 2.408 358 G HA2 0.456 4.416 3.960 -0.001 0.000 0.682 358 G HA3 0.456 4.416 3.960 -0.001 0.000 0.682 358 G C -0.043 174.859 174.900 0.002 0.000 1.303 358 G CA -0.478 44.645 45.100 0.039 0.000 0.966 358 G HN 1.575 nan 8.290 nan 0.000 0.560 359 G N -1.745 107.020 108.800 -0.059 0.000 2.336 359 G HA2 0.814 4.773 3.960 -0.001 0.000 0.286 359 G HA3 0.814 4.773 3.960 -0.001 0.000 0.286 359 G C -0.792 173.943 174.900 -0.275 0.000 1.269 359 G CA 1.161 46.043 45.100 -0.362 0.000 0.873 359 G HN 2.717 nan 8.290 nan 0.000 0.494 360 A N -0.945 121.537 122.820 -0.563 0.000 2.500 360 A HA 0.675 4.995 4.320 -0.001 0.000 0.291 360 A C -1.529 175.890 177.584 -0.274 0.000 1.048 360 A CA -0.563 51.338 52.037 -0.227 0.000 0.791 360 A CB 0.636 19.522 19.000 -0.190 0.000 1.309 360 A HN 1.062 nan 8.150 nan 0.000 0.397 361 F N 2.254 122.227 119.950 0.038 0.000 2.421 361 F HA 0.414 4.939 4.527 -0.003 0.000 0.358 361 F C 0.511 176.121 175.800 -0.317 0.000 1.115 361 F CA -0.015 57.931 58.000 -0.089 0.000 1.160 361 F CB 1.185 40.077 39.000 -0.181 0.000 1.123 361 F HN 0.579 nan 8.300 nan 0.000 0.508 362 L N 5.318 126.416 121.223 -0.209 0.000 2.305 362 L HA 0.387 4.727 4.340 -0.001 0.000 0.281 362 L C -1.312 175.353 176.870 -0.342 0.000 1.085 362 L CA -0.542 54.194 54.840 -0.175 0.000 0.813 362 L CB 0.498 42.503 42.059 -0.089 0.000 1.157 362 L HN 0.476 nan 8.230 nan 0.000 0.436 363 Y N 5.561 125.878 120.300 0.028 0.000 2.334 363 Y HA 0.455 5.005 4.550 -0.001 0.000 0.336 363 Y C -2.130 173.781 175.900 0.018 0.000 0.960 363 Y CA -2.267 55.842 58.100 0.014 0.000 1.164 363 Y CB 0.915 39.367 38.460 -0.014 0.000 1.155 363 Y HN 0.545 nan 8.280 nan 0.000 0.478 364 P HA 0.118 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 -1.409 61.754 63.100 0.106 0.000 0.742 364 P CB 0.028 31.773 31.700 0.075 0.000 1.349 365 P HA 0.033 nan 4.420 nan 0.000 0.244 365 P C -0.043 177.289 177.300 0.054 0.000 1.769 365 P CA 0.356 63.496 63.100 0.066 0.000 1.102 365 P CB -0.808 30.927 31.700 0.059 0.000 1.937 366 N N -0.035 118.698 118.700 0.055 0.000 2.961 366 N HA -0.167 4.573 4.740 -0.001 0.000 0.223 366 N C 0.173 175.708 175.510 0.041 0.000 0.866 366 N CA 0.861 53.936 53.050 0.041 0.000 1.030 366 N CB -1.176 37.328 38.487 0.029 0.000 1.037 366 N HN 0.446 nan 8.380 nan 0.000 0.608 367 M N 1.840 121.468 119.600 0.047 0.000 2.243 367 M HA 0.141 4.621 4.480 -0.001 0.000 0.341 367 M C 0.616 176.940 176.300 0.041 0.000 1.130 367 M CA -0.039 55.283 55.300 0.037 0.000 1.162 367 M CB 0.710 33.331 32.600 0.036 0.000 1.497 367 M HN 0.272 nan 8.290 nan 0.000 0.456 368 S N 5.105 120.818 115.700 0.021 0.000 2.552 368 S HA 0.284 4.753 4.470 -0.001 0.000 0.289 368 S C -2.379 172.218 174.600 -0.005 0.000 1.304 368 S CA -1.111 57.097 58.200 0.014 0.000 1.063 368 S CB -0.423 62.772 63.200 -0.008 0.000 0.848 368 S HN 0.609 nan 8.310 nan 0.000 0.499 369 P HA 0.245 nan 4.420 nan 0.000 0.274 369 P C 0.330 177.553 177.300 -0.129 0.000 1.237 369 P CA -0.358 62.674 63.100 -0.114 0.000 0.793 369 P CB 0.681 32.192 31.700 -0.314 0.000 0.977 370 T N -1.772 112.672 114.554 -0.182 0.000 2.864 370 T HA 0.750 5.100 4.350 -0.001 0.000 0.276 370 T C -0.981 173.619 174.700 -0.166 0.000 1.006 370 T CA -0.585 61.385 62.100 -0.217 0.000 0.970 370 T CB 1.009 69.642 68.868 -0.391 0.000 1.420 370 T HN 0.397 nan 8.240 nan 0.000 0.601 371 F N 0.130 119.801 119.950 -0.464 0.000 2.690 371 F HA 0.568 5.093 4.527 -0.004 0.000 0.311 371 F C -2.095 173.400 175.800 -0.510 0.000 1.111 371 F CA -1.426 56.196 58.000 -0.630 0.000 1.003 371 F CB 1.426 39.889 39.000 -0.895 0.000 1.283 371 F HN 0.799 nan 8.300 nan 0.000 0.442 372 I N 3.734 123.451 120.570 -1.420 0.000 2.493 372 I HA 0.514 4.684 4.170 -0.001 0.000 0.279 372 I C -1.013 174.318 176.117 -1.309 0.000 1.045 372 I CA -0.608 60.039 61.300 -1.089 0.000 1.106 372 I CB 1.115 38.625 38.000 -0.817 0.000 1.216 372 I HN 0.606 nan 8.210 nan 0.000 0.459 373 N N 5.946 124.138 118.700 -0.848 0.000 2.645 373 N HA 0.451 5.191 4.740 -0.001 0.000 0.308 373 N C 0.173 175.544 175.510 -0.231 0.000 1.335 373 N CA -0.555 52.278 53.050 -0.361 0.000 0.909 373 N CB 0.367 39.011 38.487 0.262 0.000 1.109 373 N HN 0.513 nan 8.380 nan 0.000 0.555 374 M N 0.057 119.646 119.600 -0.019 0.000 2.685 374 M HA 0.226 4.706 4.480 -0.001 0.000 0.355 374 M C -0.288 176.027 176.300 0.025 0.000 1.197 374 M CA -0.019 55.308 55.300 0.046 0.000 0.947 374 M CB -1.409 31.263 32.600 0.120 0.000 1.346 374 M HN 0.927 nan 8.290 nan 0.000 0.516 375 S N 0.133 115.820 115.700 -0.022 0.000 3.538 375 S HA -0.283 4.186 4.470 -0.001 0.000 0.640 375 S C 0.458 175.015 174.600 -0.072 0.000 2.388 375 S CA 1.096 59.262 58.200 -0.056 0.000 2.560 375 S CB -0.285 62.898 63.200 -0.028 0.000 0.328 375 S HN 0.650 nan 8.310 nan 0.000 1.791 376 Q N 0.044 119.786 119.800 -0.096 0.000 2.394 376 Q HA 0.136 4.476 4.340 -0.001 0.000 0.218 376 Q C 1.969 177.948 176.000 -0.035 0.000 0.907 376 Q CA 0.541 56.291 55.803 -0.089 0.000 0.919 376 Q CB -0.112 28.548 28.738 -0.131 0.000 1.051 376 Q HN 0.790 nan 8.270 nan 0.000 0.538 377 E N 0.911 121.095 120.200 -0.027 0.000 2.333 377 E HA -0.181 4.169 4.350 -0.001 0.000 0.200 377 E C 0.173 176.781 176.600 0.013 0.000 1.010 377 E CA 0.446 56.843 56.400 -0.005 0.000 0.841 377 E CB -0.119 29.580 29.700 -0.001 0.000 0.757 377 E HN 0.146 nan 8.360 nan 0.000 0.508 378 N N 0.621 119.333 118.700 0.020 0.000 2.605 378 N HA -0.036 4.704 4.740 -0.001 0.000 0.258 378 N C 0.951 176.490 175.510 0.048 0.000 1.156 378 N CA -0.104 52.973 53.050 0.045 0.000 1.008 378 N CB 0.789 39.314 38.487 0.063 0.000 1.354 378 N HN -0.042 nan 8.380 nan 0.000 0.509 379 V N -0.032 119.906 119.914 0.040 0.000 2.324 379 V HA -0.219 3.901 4.120 -0.001 0.000 0.250 379 V C 1.000 177.116 176.094 0.037 0.000 1.060 379 V CA 1.638 63.957 62.300 0.031 0.000 1.042 379 V CB -0.956 30.881 31.823 0.024 0.000 0.650 379 V HN 0.612 nan 8.190 nan 0.000 0.450 380 D N -0.391 120.041 120.400 0.053 0.000 2.348 380 D HA 0.186 4.826 4.640 -0.001 0.000 0.272 380 D C 0.943 177.282 176.300 0.064 0.000 1.237 380 D CA -0.073 53.944 54.000 0.029 0.000 1.042 380 D CB 0.135 40.968 40.800 0.054 0.000 1.117 380 D HN 0.346 nan 8.370 nan 0.000 0.548 381 M N -2.988 116.633 119.600 0.035 0.000 2.965 381 M HA -0.204 4.276 4.480 -0.001 0.000 0.213 381 M C -1.062 175.258 176.300 0.034 0.000 0.564 381 M CA 0.434 55.806 55.300 0.121 0.000 0.784 381 M CB -0.943 31.777 32.600 0.200 0.000 2.816 381 M HN 0.416 nan 8.290 nan 0.000 0.409 382 R N 1.930 122.408 120.500 -0.037 0.000 2.316 382 R HA 0.215 4.555 4.340 -0.001 0.000 0.314 382 R C -0.109 176.115 176.300 -0.127 0.000 1.069 382 R CA 0.200 56.284 56.100 -0.026 0.000 0.959 382 R CB 0.233 30.522 30.300 -0.019 0.000 0.987 382 R HN 0.330 nan 8.270 nan 0.000 0.446 383 D N 1.781 122.116 120.400 -0.107 0.000 2.990 383 D HA -0.120 4.520 4.640 -0.001 0.000 0.245 383 D C 0.162 176.208 176.300 -0.424 0.000 1.120 383 D CA 1.500 55.306 54.000 -0.323 0.000 0.838 383 D CB -0.919 39.658 40.800 -0.370 0.000 1.000 383 D HN 0.720 nan 8.370 nan 0.000 0.420 384 S N -0.798 114.713 115.700 -0.316 0.000 2.687 384 S HA 0.090 4.560 4.470 -0.001 0.000 0.247 384 S C 0.664 175.222 174.600 -0.069 0.000 1.050 384 S CA -0.287 57.798 58.200 -0.193 0.000 1.063 384 S CB 0.223 63.427 63.200 0.006 0.000 1.039 384 S HN 0.276 nan 8.310 nan 0.000 0.580 385 Y N 0.666 121.006 120.300 0.066 0.000 3.491 385 Y HA -0.165 4.386 4.550 0.001 0.000 0.215 385 Y C 0.254 176.214 175.900 0.101 0.000 1.219 385 Y CA -0.087 58.071 58.100 0.096 0.000 1.485 385 Y CB -2.534 35.989 38.460 0.104 0.000 1.450 385 Y HN 0.520 nan 8.280 nan 0.000 0.603 386 L N 1.252 122.585 121.223 0.184 0.000 2.745 386 L HA 0.363 4.703 4.340 -0.001 0.000 0.273 386 L C 1.204 178.160 176.870 0.143 0.000 1.156 386 L CA 1.673 56.603 54.840 0.150 0.000 0.982 386 L CB -0.073 42.059 42.059 0.122 0.000 1.295 386 L HN 0.657 nan 8.230 nan 0.000 0.483 387 G N 3.158 112.059 108.800 0.169 0.000 2.159 387 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.170 387 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.170 387 G C 0.486 175.528 174.900 0.236 0.000 1.007 387 G CA 0.212 45.405 45.100 0.155 0.000 0.672 387 G HN 0.731 nan 8.290 nan 0.000 0.507 388 Y N 2.252 122.652 120.300 0.166 0.000 2.165 388 Y HA 0.131 4.679 4.550 -0.002 0.000 0.286 388 Y C 1.691 177.814 175.900 0.372 0.000 1.155 388 Y CA 2.405 60.664 58.100 0.265 0.000 1.164 388 Y CB 0.156 38.731 38.460 0.191 0.000 0.978 388 Y HN 0.672 nan 8.280 nan 0.000 0.513 389 S N -0.608 115.324 115.700 0.387 0.000 2.526 389 S HA 0.672 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 -0.205 58.129 58.200 0.222 0.000 0.980 389 S CB 2.166 65.500 63.200 0.223 0.000 1.048 389 S HN 0.326 nan 8.310 nan 0.000 0.483 390 T N -1.011 113.590 114.554 0.078 0.000 2.909 390 T HA 0.820 5.169 4.350 -0.001 0.000 0.299 390 T C -1.115 173.606 174.700 0.035 0.000 1.073 390 T CA -0.514 61.617 62.100 0.052 0.000 0.999 390 T CB 1.876 70.772 68.868 0.047 0.000 1.098 390 T HN 0.764 nan 8.240 nan 0.000 0.477 391 E N 0.867 121.080 120.200 0.021 0.000 2.392 391 E HA 0.620 4.970 4.350 -0.001 0.000 0.279 391 E C -1.692 174.913 176.600 0.009 0.000 0.964 391 E CA -0.856 55.556 56.400 0.020 0.000 0.777 391 E CB 1.799 31.504 29.700 0.008 0.000 1.249 391 E HN 0.682 nan 8.360 nan 0.000 0.449 392 L N 2.007 123.244 121.223 0.023 0.000 2.479 392 L HA 0.826 5.165 4.340 -0.001 0.000 0.249 392 L C -0.319 176.544 176.870 -0.012 0.000 1.178 392 L CA 0.480 55.330 54.840 0.016 0.000 0.811 392 L CB 1.363 43.452 42.059 0.050 0.000 1.187 392 L HN 0.672 nan 8.230 nan 0.000 0.480 393 A N 3.289 126.091 122.820 -0.030 0.000 3.368 393 A HA 0.286 4.605 4.320 -0.001 0.000 0.211 393 A C -0.387 177.176 177.584 -0.035 0.000 1.004 393 A CA -0.465 51.537 52.037 -0.059 0.000 1.059 393 A CB -0.648 18.259 19.000 -0.156 0.000 1.298 393 A HN 0.694 nan 8.150 nan 0.000 0.613 394 L N 0.160 121.412 121.223 0.048 0.000 2.517 394 L HA 0.180 4.519 4.340 -0.001 0.000 0.294 394 L C -0.034 176.999 176.870 0.272 0.000 1.264 394 L CA 0.798 55.710 54.840 0.119 0.000 0.839 394 L CB 0.302 42.428 42.059 0.111 0.000 1.098 394 L HN 0.578 nan 8.230 nan 0.000 0.525 395 W N 2.545 123.846 121.300 0.003 0.000 3.018 395 W HA 0.305 4.966 4.660 0.001 0.000 0.352 395 W C 0.703 177.223 176.519 0.003 0.000 1.230 395 W CA -1.159 56.187 57.345 0.002 0.000 1.162 395 W CB 1.342 30.802 29.460 0.000 0.000 1.483 395 W HN 0.513 nan 8.180 nan 0.000 0.584 396 K N 0.244 120.569 120.400 -0.125 0.000 2.211 396 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 396 K C 1.117 177.690 176.600 -0.045 0.000 1.047 396 K CA 1.921 58.117 56.287 -0.153 0.000 0.935 396 K CB -0.394 31.916 32.500 -0.316 0.000 0.728 396 K HN 0.523 nan 8.250 nan 0.000 0.452 397 G N 0.268 109.111 108.800 0.072 0.000 3.329 397 G HA2 0.248 4.207 3.960 -0.001 0.000 0.180 397 G HA3 0.248 4.207 3.960 -0.001 0.000 0.180 397 G C -0.095 174.939 174.900 0.223 0.000 1.640 397 G CA 0.094 45.303 45.100 0.182 0.000 1.018 397 G HN 0.148 nan 8.290 nan 0.000 0.581 398 V N -1.565 118.490 119.914 0.236 0.000 3.036 398 V HA 0.584 4.704 4.120 -0.001 0.000 0.308 398 V C -0.004 176.151 176.094 0.102 0.000 1.070 398 V CA -0.887 61.485 62.300 0.120 0.000 1.056 398 V CB 1.011 32.858 31.823 0.040 0.000 1.084 398 V HN 0.555 nan 8.190 nan 0.000 0.471 399 Q N 1.010 120.831 119.800 0.034 0.000 2.500 399 Q HA 0.608 4.948 4.340 -0.001 0.000 0.215 399 Q C -0.281 175.663 176.000 -0.093 0.000 1.062 399 Q CA 0.134 55.937 55.803 0.000 0.000 0.996 399 Q CB 0.785 29.532 28.738 0.016 0.000 1.239 399 Q HN 0.963 nan 8.270 nan 0.000 0.578 400 S N -0.169 115.456 115.700 -0.125 0.000 2.566 400 S HA 0.491 4.960 4.470 -0.001 0.000 0.273 400 S C -1.179 173.342 174.600 -0.132 0.000 1.157 400 S CA -0.738 57.347 58.200 -0.192 0.000 0.938 400 S CB 0.737 63.731 63.200 -0.344 0.000 1.087 400 S HN 0.371 nan 8.310 nan 0.000 0.474 401 L N 2.170 123.337 121.223 -0.092 0.000 2.387 401 L HA 0.827 5.166 4.340 -0.001 0.000 0.266 401 L C -0.807 176.036 176.870 -0.045 0.000 1.059 401 L CA -0.917 53.898 54.840 -0.041 0.000 0.801 401 L CB 1.391 43.447 42.059 -0.005 0.000 1.223 401 L HN 0.356 nan 8.230 nan 0.000 0.456 402 V N 2.281 122.182 119.914 -0.021 0.000 2.777 402 V HA 0.461 4.581 4.120 -0.001 0.000 0.306 402 V C -0.583 175.523 176.094 0.021 0.000 1.112 402 V CA -0.495 61.778 62.300 -0.046 0.000 0.917 402 V CB 2.203 33.958 31.823 -0.113 0.000 1.018 402 V HN 0.476 nan 8.190 nan 0.000 0.426 403 L N 3.018 124.273 121.223 0.055 0.000 2.354 403 L HA 0.888 5.227 4.340 -0.001 0.000 0.269 403 L C 0.504 177.406 176.870 0.053 0.000 1.005 403 L CA -0.706 54.186 54.840 0.087 0.000 0.819 403 L CB 2.165 44.315 42.059 0.152 0.000 1.311 403 L HN 0.763 nan 8.230 nan 0.000 0.423 404 G N 0.915 109.768 108.800 0.087 0.000 2.335 404 G HA2 0.598 4.557 3.960 -0.001 0.000 0.314 404 G HA3 0.598 4.557 3.960 -0.001 0.000 0.314 404 G C -0.498 174.457 174.900 0.092 0.000 1.129 404 G CA -0.329 44.807 45.100 0.059 0.000 0.912 404 G HN 0.715 nan 8.290 nan 0.000 0.443 405 A N 4.903 127.742 122.820 0.032 0.000 2.923 405 A HA 0.654 4.973 4.320 -0.001 0.000 0.343 405 A C -1.424 176.130 177.584 -0.049 0.000 1.199 405 A CA -1.367 50.696 52.037 0.043 0.000 0.878 405 A CB 1.183 20.228 19.000 0.076 0.000 1.104 405 A HN 0.406 nan 8.150 nan 0.000 0.483 406 P HA -0.159 nan 4.420 nan 0.000 0.218 406 P C 0.517 177.573 177.300 -0.406 0.000 1.146 406 P CA 1.334 64.077 63.100 -0.596 0.000 0.820 406 P CB 0.130 30.977 31.700 -1.422 0.000 0.778 407 R N -2.287 118.081 120.500 -0.219 0.000 2.834 407 R HA 0.199 4.538 4.340 -0.001 0.000 0.362 407 R C -0.568 175.637 176.300 -0.159 0.000 1.147 407 R CA -0.583 55.402 56.100 -0.193 0.000 1.125 407 R CB -0.242 29.913 30.300 -0.243 0.000 1.361 407 R HN 0.132 nan 8.270 nan 0.000 0.598 408 Y N 2.205 122.420 120.300 -0.143 0.000 2.531 408 Y HA -0.031 4.524 4.550 0.009 0.000 0.347 408 Y C 0.477 176.327 175.900 -0.084 0.000 1.024 408 Y CA 0.414 58.452 58.100 -0.104 0.000 1.306 408 Y CB 0.234 38.670 38.460 -0.039 0.000 1.149 408 Y HN 0.401 nan 8.280 nan 0.000 0.527 409 Q N 5.797 125.256 119.800 -0.569 0.000 2.480 409 Q HA -0.350 3.989 4.340 -0.001 0.000 0.265 409 Q C 0.055 176.044 176.000 -0.018 0.000 1.072 409 Q CA 1.147 56.756 55.803 -0.323 0.000 1.018 409 Q CB -1.607 26.934 28.738 -0.329 0.000 1.433 409 Q HN 1.126 nan 8.270 nan 0.000 0.513 410 H N -4.103 114.910 119.070 -0.094 0.000 3.415 410 H HA -0.219 4.286 4.556 -0.085 0.000 0.213 410 H C 1.365 176.694 175.328 0.001 0.000 1.091 410 H CA 1.798 57.818 56.048 -0.047 0.000 1.182 410 H CB -1.825 27.912 29.762 -0.041 0.000 1.160 410 H HN 0.751 nan 8.280 nan 0.000 0.319 411 T N -2.449 112.166 114.554 0.101 0.000 3.156 411 T HA 0.482 4.832 4.350 -0.001 0.000 0.236 411 T C 1.190 175.950 174.700 0.101 0.000 0.978 411 T CA 0.905 63.072 62.100 0.111 0.000 1.240 411 T CB 1.519 70.450 68.868 0.105 0.000 0.951 411 T HN 1.077 nan 8.240 nan 0.000 0.420 412 G N 1.152 110.032 108.800 0.133 0.000 2.944 412 G HA2 0.298 4.258 3.960 -0.001 0.000 0.471 412 G HA3 0.298 4.258 3.960 -0.001 0.000 0.471 412 G C -1.152 173.910 174.900 0.270 0.000 1.388 412 G CA -0.509 44.676 45.100 0.142 0.000 1.087 412 G HN 0.622 nan 8.290 nan 0.000 0.596 413 K N 1.044 121.561 120.400 0.194 0.000 2.395 413 K HA 0.910 5.230 4.320 -0.001 0.000 0.247 413 K C -0.168 176.492 176.600 0.100 0.000 0.973 413 K CA -0.412 55.958 56.287 0.139 0.000 0.828 413 K CB 2.171 34.515 32.500 -0.261 0.000 1.272 413 K HN 1.475 nan 8.250 nan 0.000 0.439 414 A N 2.423 125.324 122.820 0.135 0.000 2.330 414 A HA 0.602 4.922 4.320 -0.001 0.000 0.313 414 A C -1.367 176.159 177.584 -0.096 0.000 1.124 414 A CA -0.690 51.353 52.037 0.010 0.000 0.774 414 A CB 1.353 20.359 19.000 0.009 0.000 1.198 414 A HN 0.374 nan 8.150 nan 0.000 0.465 415 V N 3.808 123.594 119.914 -0.214 0.000 2.540 415 V HA 0.458 4.577 4.120 -0.001 0.000 0.302 415 V C -0.322 175.373 176.094 -0.665 0.000 1.035 415 V CA -0.287 61.731 62.300 -0.470 0.000 0.873 415 V CB 1.540 33.064 31.823 -0.497 0.000 0.992 415 V HN 0.770 nan 8.190 nan 0.000 0.428 416 I N 4.368 124.405 120.570 -0.888 0.000 2.412 416 I HA 0.550 4.720 4.170 -0.001 0.000 0.296 416 I C -0.946 174.586 176.117 -0.975 0.000 0.987 416 I CA -0.236 60.574 61.300 -0.816 0.000 1.180 416 I CB 1.521 38.985 38.000 -0.893 0.000 1.340 416 I HN 0.413 nan 8.210 nan 0.000 0.455 417 F N 2.595 122.305 119.950 -0.399 0.000 2.546 417 F HA 0.531 5.056 4.527 -0.004 0.000 0.320 417 F C 0.468 176.024 175.800 -0.407 0.000 1.076 417 F CA -0.673 57.096 58.000 -0.385 0.000 0.928 417 F CB 2.217 41.053 39.000 -0.272 0.000 1.189 417 F HN 0.278 nan 8.300 nan 0.000 0.465 418 T N 0.906 115.290 114.554 -0.284 0.000 2.932 418 T HA 0.394 4.744 4.350 -0.001 0.000 0.289 418 T C -0.852 173.681 174.700 -0.278 0.000 1.039 418 T CA -0.517 61.387 62.100 -0.326 0.000 1.024 418 T CB 1.236 69.816 68.868 -0.481 0.000 1.090 418 T HN 0.670 nan 8.240 nan 0.000 0.496 419 Q N 2.797 122.382 119.800 -0.359 0.000 2.851 419 Q HA 0.358 4.698 4.340 -0.001 0.000 0.331 419 Q C -0.456 175.043 176.000 -0.836 0.000 0.979 419 Q CA -0.488 54.835 55.803 -0.801 0.000 0.955 419 Q CB 1.187 29.485 28.738 -0.733 0.000 1.298 419 Q HN 0.462 nan 8.270 nan 0.000 0.432 420 V N 1.063 120.667 119.914 -0.517 0.000 2.963 420 V HA -0.035 4.085 4.120 -0.001 0.000 0.306 420 V C 0.935 176.717 176.094 -0.519 0.000 1.077 420 V CA 0.018 62.128 62.300 -0.317 0.000 1.124 420 V CB 1.546 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 4.569 120.091 115.700 -0.297 0.000 2.811 421 S HA 0.017 4.487 4.470 -0.001 0.000 0.325 421 S C 0.860 175.416 174.600 -0.074 0.000 1.224 421 S CA 0.103 58.181 58.200 -0.204 0.000 1.125 421 S CB -0.887 62.274 63.200 -0.066 0.000 0.867 421 S HN 0.770 nan 8.310 nan 0.000 0.512 422 R N 2.737 123.293 120.500 0.094 0.000 3.267 422 R HA -0.158 4.182 4.340 -0.001 0.000 0.254 422 R C 0.190 176.658 176.300 0.280 0.000 0.993 422 R CA 0.813 57.131 56.100 0.363 0.000 0.670 422 R CB -1.539 28.881 30.300 0.200 0.000 1.125 422 R HN 0.727 nan 8.270 nan 0.000 0.434 423 Q N -1.442 118.546 119.800 0.314 0.000 1.958 423 Q HA 0.047 4.387 4.340 -0.001 0.000 0.154 423 Q C 0.250 176.482 176.000 0.387 0.000 0.549 423 Q CA 0.249 56.197 55.803 0.241 0.000 0.824 423 Q CB 0.152 28.946 28.738 0.094 0.000 1.031 423 Q HN 0.451 nan 8.270 nan 0.000 0.312 424 W N 2.918 124.209 121.300 -0.015 0.000 5.563 424 W HA -0.228 4.431 4.660 -0.001 0.000 0.396 424 W C 0.119 176.589 176.519 -0.082 0.000 1.519 424 W CA 0.565 57.867 57.345 -0.072 0.000 0.953 424 W CB -1.349 28.047 29.460 -0.106 0.000 2.691 424 W HN 0.191 nan 8.180 nan 0.000 1.444 425 R N 0.013 120.538 120.500 0.042 0.000 2.524 425 R HA 0.646 4.986 4.340 -0.001 0.000 0.236 425 R C 0.630 176.879 176.300 -0.086 0.000 1.240 425 R CA -1.061 55.041 56.100 0.003 0.000 1.111 425 R CB 0.628 30.934 30.300 0.010 0.000 1.436 425 R HN 0.087 nan 8.270 nan 0.000 0.573 426 M N 1.255 120.773 119.600 -0.137 0.000 2.233 426 M HA 0.146 4.626 4.480 -0.001 0.000 0.355 426 M C 0.127 176.029 176.300 -0.663 0.000 1.191 426 M CA 0.066 55.167 55.300 -0.333 0.000 1.101 426 M CB 1.152 33.583 32.600 -0.281 0.000 1.592 426 M HN 0.408 nan 8.290 nan 0.000 0.461 427 K N 3.142 123.024 120.400 -0.864 0.000 1.995 427 K HA 0.336 4.656 4.320 -0.001 0.000 0.207 427 K C 0.410 176.658 176.600 -0.586 0.000 1.041 427 K CA 0.986 56.640 56.287 -1.054 0.000 0.942 427 K CB 0.078 31.980 32.500 -0.997 0.000 0.731 427 K HN 0.788 nan 8.250 nan 0.000 0.439 428 A N 0.645 123.108 122.820 -0.595 0.000 2.483 428 A HA 0.455 4.775 4.320 -0.001 0.000 0.306 428 A C -1.751 175.559 177.584 -0.457 0.000 1.137 428 A CA -0.811 50.998 52.037 -0.378 0.000 0.626 428 A CB 1.070 19.955 19.000 -0.192 0.000 1.352 428 A HN 0.294 nan 8.150 nan 0.000 0.508 429 E N -1.715 118.378 120.200 -0.178 0.000 2.417 429 E HA 0.579 4.928 4.350 -0.001 0.000 0.280 429 E C -1.428 175.283 176.600 0.186 0.000 1.112 429 E CA -0.695 55.644 56.400 -0.102 0.000 0.863 429 E CB 1.495 31.062 29.700 -0.220 0.000 1.346 429 E HN 1.904 nan 8.360 nan 0.000 0.443 430 V N -1.686 118.337 119.914 0.182 0.000 2.752 430 V HA 0.570 4.689 4.120 -0.001 0.000 0.302 430 V C 0.201 176.299 176.094 0.006 0.000 1.133 430 V CA -0.214 62.164 62.300 0.130 0.000 0.919 430 V CB 0.705 32.639 31.823 0.185 0.000 1.026 430 V HN 0.991 nan 8.190 nan 0.000 0.429 431 T N 2.440 116.937 114.554 -0.095 0.000 2.640 431 T HA 0.532 4.882 4.350 -0.001 0.000 0.316 431 T C 0.842 175.386 174.700 -0.260 0.000 1.036 431 T CA 0.438 62.464 62.100 -0.123 0.000 1.009 431 T CB 0.555 69.390 68.868 -0.055 0.000 1.017 431 T HN 1.718 nan 8.240 nan 0.000 0.530 432 G N -1.277 107.408 108.800 -0.191 0.000 2.547 432 G HA2 0.428 4.388 3.960 -0.001 0.000 0.291 432 G HA3 0.428 4.388 3.960 -0.001 0.000 0.291 432 G C 0.759 175.431 174.900 -0.379 0.000 1.211 432 G CA -0.000 44.864 45.100 -0.393 0.000 0.950 432 G HN 0.859 nan 8.290 nan 0.000 0.504 433 T N -2.021 112.270 114.554 -0.438 0.000 3.039 433 T HA 0.176 4.526 4.350 -0.001 0.000 0.250 433 T C 0.738 175.372 174.700 -0.110 0.000 1.052 433 T CA 0.992 62.901 62.100 -0.319 0.000 1.125 433 T CB -0.246 68.337 68.868 -0.475 0.000 0.908 433 T HN 0.573 nan 8.240 nan 0.000 0.473 434 Q N 0.136 119.912 119.800 -0.040 0.000 2.462 434 Q HA 0.453 4.793 4.340 -0.001 0.000 0.285 434 Q C -1.480 174.584 176.000 0.107 0.000 1.035 434 Q CA -0.869 54.993 55.803 0.098 0.000 0.799 434 Q CB 2.020 30.942 28.738 0.306 0.000 1.452 434 Q HN 0.407 nan 8.270 nan 0.000 0.404 435 I N 2.478 123.105 120.570 0.095 0.000 2.533 435 I HA 0.272 4.441 4.170 -0.001 0.000 0.284 435 I C 0.971 177.180 176.117 0.154 0.000 1.109 435 I CA 1.921 63.286 61.300 0.108 0.000 1.412 435 I CB 0.152 38.196 38.000 0.074 0.000 1.396 435 I HN 1.029 nan 8.210 nan 0.000 0.543 436 G N 4.101 113.008 108.800 0.178 0.000 2.234 436 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.260 436 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.260 436 G C 1.083 176.178 174.900 0.327 0.000 0.987 436 G CA 0.807 46.044 45.100 0.229 0.000 0.625 436 G HN 0.930 nan 8.290 nan 0.000 0.532 437 S N -1.015 114.878 115.700 0.322 0.000 2.407 437 S HA -0.177 4.293 4.470 -0.001 0.000 0.235 437 S C 1.287 176.143 174.600 0.427 0.000 1.036 437 S CA 1.879 60.320 58.200 0.401 0.000 1.013 437 S CB -0.322 63.045 63.200 0.279 0.000 0.820 437 S HN 1.870 nan 8.310 nan 0.000 0.476 438 Y N -0.751 119.661 120.300 0.187 0.000 3.661 438 Y HA -0.215 4.332 4.550 -0.006 0.000 0.224 438 Y C -0.125 175.827 175.900 0.087 0.000 1.342 438 Y CA 0.016 58.193 58.100 0.129 0.000 1.723 438 Y CB -2.122 36.433 38.460 0.159 0.000 1.546 438 Y HN 0.476 nan 8.280 nan 0.000 0.631 439 F N 1.607 121.566 119.950 0.015 0.000 2.502 439 F HA 0.417 4.941 4.527 -0.005 0.000 0.361 439 F C 1.093 176.866 175.800 -0.045 0.000 1.157 439 F CA 1.669 59.648 58.000 -0.036 0.000 1.096 439 F CB 0.170 39.117 39.000 -0.089 0.000 1.141 439 F HN 0.339 nan 8.300 nan 0.000 0.579 440 G N 3.157 111.712 108.800 -0.410 0.000 3.254 440 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.219 440 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.219 440 G C 1.056 175.891 174.900 -0.108 0.000 0.964 440 G CA 0.015 44.934 45.100 -0.303 0.000 0.823 440 G HN 0.989 nan 8.290 nan 0.000 0.579 441 A N 0.764 123.591 122.820 0.012 0.000 1.859 441 A HA 0.219 4.538 4.320 -0.001 0.000 0.218 441 A C 1.614 179.269 177.584 0.118 0.000 1.242 441 A CA 2.474 54.597 52.037 0.143 0.000 0.661 441 A CB -0.750 18.332 19.000 0.136 0.000 0.842 441 A HN 1.120 nan 8.150 nan 0.000 0.455 442 S N -1.752 113.946 115.700 -0.004 0.000 2.578 442 S HA 0.722 5.191 4.470 -0.001 0.000 0.301 442 S C -0.948 173.609 174.600 -0.072 0.000 1.091 442 S CA -0.429 57.760 58.200 -0.018 0.000 1.032 442 S CB 1.524 64.686 63.200 -0.065 0.000 1.064 442 S HN 0.346 nan 8.310 nan 0.000 0.508 443 L N 1.175 122.373 121.223 -0.043 0.000 2.472 443 L HA 0.628 4.968 4.340 -0.001 0.000 0.260 443 L C -1.242 175.609 176.870 -0.032 0.000 0.963 443 L CA -0.286 54.522 54.840 -0.054 0.000 0.829 443 L CB 2.146 44.179 42.059 -0.044 0.000 1.348 443 L HN 0.844 nan 8.230 nan 0.000 0.408 444 C N 1.983 121.264 119.300 -0.033 0.000 2.727 444 C HA 0.631 5.090 4.460 -0.001 0.000 0.369 444 C C -0.177 174.810 174.990 -0.004 0.000 1.067 444 C CA -0.684 58.324 59.018 -0.016 0.000 1.273 444 C CB 0.478 28.204 27.740 -0.024 0.000 1.778 444 C HN 0.864 nan 8.230 nan 0.000 0.467 445 S N 4.797 120.501 115.700 0.007 0.000 2.455 445 S HA 0.566 5.036 4.470 -0.001 0.000 0.278 445 S C -0.288 174.329 174.600 0.029 0.000 1.216 445 S CA -0.390 57.821 58.200 0.018 0.000 1.055 445 S CB 1.147 64.356 63.200 0.015 0.000 0.939 445 S HN 1.130 nan 8.310 nan 0.000 0.494 446 V N 2.082 122.017 119.914 0.035 0.000 3.046 446 V HA 0.551 4.671 4.120 -0.001 0.000 0.316 446 V C -1.218 174.909 176.094 0.055 0.000 1.104 446 V CA -0.890 61.435 62.300 0.041 0.000 1.006 446 V CB 2.176 34.020 31.823 0.034 0.000 1.058 446 V HN 1.012 nan 8.190 nan 0.000 0.440 447 D N 3.288 123.724 120.400 0.059 0.000 2.462 447 D HA 0.147 4.786 4.640 -0.001 0.000 0.249 447 D C 0.814 177.155 176.300 0.068 0.000 1.117 447 D CA 0.003 54.043 54.000 0.066 0.000 0.900 447 D CB 1.608 42.445 40.800 0.062 0.000 1.039 447 D HN 0.347 nan 8.370 nan 0.000 0.516 448 V N 3.693 123.650 119.914 0.072 0.000 2.370 448 V HA -0.289 3.831 4.120 -0.001 0.000 0.252 448 V C 0.840 176.980 176.094 0.077 0.000 1.068 448 V CA 2.856 65.203 62.300 0.078 0.000 1.061 448 V CB -0.059 31.810 31.823 0.077 0.000 0.656 448 V HN 0.678 nan 8.190 nan 0.000 0.455 449 D N -1.587 118.853 120.400 0.067 0.000 2.540 449 D HA 0.265 4.904 4.640 -0.001 0.000 0.229 449 D C 0.575 176.908 176.300 0.056 0.000 1.258 449 D CA 0.464 54.501 54.000 0.061 0.000 1.158 449 D CB 0.499 41.330 40.800 0.052 0.000 1.178 449 D HN 0.151 nan 8.370 nan 0.000 0.541 450 S N -1.075 114.653 115.700 0.046 0.000 3.078 450 S HA 0.106 4.575 4.470 -0.001 0.000 0.248 450 S C -0.151 174.467 174.600 0.030 0.000 0.857 450 S CA -0.205 58.019 58.200 0.040 0.000 1.139 450 S CB 0.057 63.281 63.200 0.040 0.000 1.186 450 S HN 0.523 nan 8.310 nan 0.000 0.567 451 D N 1.421 121.838 120.400 0.028 0.000 2.363 451 D HA 0.140 4.780 4.640 -0.001 0.000 0.220 451 D C 1.530 177.838 176.300 0.014 0.000 0.994 451 D CA 1.060 55.068 54.000 0.013 0.000 0.890 451 D CB -0.484 40.318 40.800 0.003 0.000 0.906 451 D HN 0.476 nan 8.370 nan 0.000 0.530 452 G N -0.468 108.350 108.800 0.030 0.000 2.234 452 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 452 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 452 G C 0.272 175.206 174.900 0.057 0.000 0.987 452 G CA 0.355 45.478 45.100 0.037 0.000 0.625 452 G HN 0.458 nan 8.290 nan 0.000 0.532 453 S N 1.423 117.155 115.700 0.054 0.000 2.475 453 S HA 0.555 5.025 4.470 -0.001 0.000 0.281 453 S C 0.446 175.146 174.600 0.167 0.000 1.198 453 S CA -0.036 58.227 58.200 0.106 0.000 1.063 453 S CB 1.564 64.754 63.200 -0.017 0.000 0.972 453 S HN 0.393 nan 8.310 nan 0.000 0.486 454 T N 3.553 118.247 114.554 0.233 0.000 2.867 454 T HA 0.012 4.362 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 0.176 62.380 62.100 0.173 0.000 1.159 454 T CB 0.240 69.181 68.868 0.121 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 0.531 176.892 176.300 0.102 0.000 0.973 455 D CA 0.627 54.705 54.000 0.130 0.000 0.890 455 D CB 0.271 41.129 40.800 0.096 0.000 1.011 455 D HN 0.536 nan 8.370 nan 0.000 0.499 456 L N -3.033 118.237 121.223 0.078 0.000 2.510 456 L HA 0.757 5.097 4.340 -0.001 0.000 0.252 456 L C -1.151 175.752 176.870 0.056 0.000 1.091 456 L CA -1.078 53.796 54.840 0.058 0.000 0.888 456 L CB 2.106 44.187 42.059 0.036 0.000 1.507 456 L HN -0.355 nan 8.230 nan 0.000 0.407 457 V N 1.033 120.981 119.914 0.056 0.000 2.777 457 V HA 0.499 4.619 4.120 -0.001 0.000 0.306 457 V C -0.458 175.653 176.094 0.029 0.000 1.112 457 V CA -0.323 62.010 62.300 0.054 0.000 0.917 457 V CB 1.866 33.751 31.823 0.102 0.000 1.018 457 V HN 0.723 nan 8.190 nan 0.000 0.426 458 L N 4.957 126.174 121.223 -0.010 0.000 2.399 458 L HA 0.679 5.018 4.340 -0.001 0.000 0.265 458 L C -0.549 176.272 176.870 -0.082 0.000 1.089 458 L CA -0.486 54.324 54.840 -0.049 0.000 0.802 458 L CB 1.515 43.526 42.059 -0.080 0.000 1.180 458 L HN 0.449 nan 8.230 nan 0.000 0.454 459 I N -0.324 120.166 120.570 -0.132 0.000 2.994 459 I HA 0.544 4.714 4.170 -0.001 0.000 0.306 459 I C -0.111 175.851 176.117 -0.258 0.000 1.195 459 I CA -0.598 60.548 61.300 -0.257 0.000 1.001 459 I CB 2.382 40.097 38.000 -0.475 0.000 1.244 459 I HN 0.605 nan 8.210 nan 0.000 0.437 460 G N 2.025 110.657 108.800 -0.281 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 -0.903 173.913 174.900 -0.138 0.000 1.198 460 G CA -0.551 44.428 45.100 -0.203 0.000 0.959 460 G HN 0.829 nan 8.290 nan 0.000 0.482 461 A N 2.196 124.976 122.820 -0.068 0.000 3.346 461 A HA 0.592 4.912 4.320 -0.001 0.000 0.222 461 A C -1.980 175.625 177.584 0.035 0.000 1.138 461 A CA -0.446 51.625 52.037 0.058 0.000 1.074 461 A CB 0.889 19.963 19.000 0.124 0.000 1.347 461 A HN 0.343 nan 8.150 nan 0.000 0.751 462 P HA -0.161 nan 4.420 nan 0.000 0.218 462 P C 0.303 177.450 177.300 -0.255 0.000 1.146 462 P CA 1.424 64.342 63.100 -0.304 0.000 0.820 462 P CB -0.082 31.239 31.700 -0.632 0.000 0.778 463 H N -2.380 116.781 119.070 0.152 0.000 2.375 463 H HA 0.297 4.855 4.556 0.003 0.000 0.230 463 H C -0.590 174.956 175.328 0.362 0.000 1.511 463 H CA -0.533 55.629 56.048 0.189 0.000 1.215 463 H CB -0.539 29.281 29.762 0.096 0.000 1.580 463 H HN 0.172 nan 8.280 nan 0.000 0.537 464 Y N 2.145 122.634 120.300 0.316 0.000 2.576 464 Y HA 0.490 5.038 4.550 -0.004 0.000 0.346 464 Y C -1.377 174.785 175.900 0.435 0.000 1.018 464 Y CA -1.386 56.903 58.100 0.315 0.000 1.050 464 Y CB 1.630 40.202 38.460 0.188 0.000 1.280 464 Y HN 0.267 nan 8.280 nan 0.000 0.474 465 Y N 0.561 120.325 120.300 -0.893 0.000 2.960 465 Y HA 0.389 4.936 4.550 -0.004 0.000 0.361 465 Y C -0.604 174.925 175.900 -0.617 0.000 1.318 465 Y CA -0.633 57.100 58.100 -0.613 0.000 1.103 465 Y CB 0.478 38.841 38.460 -0.163 0.000 1.650 465 Y HN 0.567 nan 8.280 nan 0.000 0.436 466 E N -1.591 118.465 120.200 -0.240 0.000 2.662 466 E HA 0.177 4.527 4.350 -0.001 0.000 0.205 466 E C 0.316 176.959 176.600 0.073 0.000 1.003 466 E CA 0.134 56.405 56.400 -0.215 0.000 1.685 466 E CB 0.277 29.887 29.700 -0.150 0.000 2.386 466 E HN 0.472 nan 8.360 nan 0.000 1.092 467 Q N 0.278 120.163 119.800 0.142 0.000 2.330 467 Q HA 0.249 4.588 4.340 -0.001 0.000 0.254 467 Q C -0.119 175.942 176.000 0.102 0.000 0.777 467 Q CA 0.891 56.770 55.803 0.127 0.000 0.972 467 Q CB 2.047 30.823 28.738 0.063 0.000 1.236 467 Q HN 0.083 nan 8.270 nan 0.000 0.508 468 T N 1.579 116.196 114.554 0.105 0.000 2.812 468 T HA 0.428 4.778 4.350 -0.001 0.000 0.282 468 T C 0.076 174.838 174.700 0.104 0.000 0.990 468 T CA -0.429 61.704 62.100 0.056 0.000 0.960 468 T CB 1.591 70.489 68.868 0.051 0.000 0.948 468 T HN -0.046 nan 8.240 nan 0.000 0.438 469 R N 2.027 122.554 120.500 0.045 0.000 4.031 469 R HA 0.211 4.551 4.340 -0.001 0.000 0.269 469 R C 1.864 178.289 176.300 0.207 0.000 1.668 469 R CA -0.294 55.884 56.100 0.131 0.000 1.432 469 R CB -0.274 30.064 30.300 0.064 0.000 1.374 469 R HN 0.862 nan 8.270 nan 0.000 0.681 470 G N 0.079 108.996 108.800 0.196 0.000 2.418 470 G HA2 0.014 3.974 3.960 -0.001 0.000 0.217 470 G HA3 0.014 3.974 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 0.826 46.065 45.100 0.231 0.000 0.771 470 G HN 0.614 nan 8.290 nan 0.000 0.545 471 G N -2.053 106.947 108.800 0.334 0.000 2.325 471 G HA2 0.435 4.395 3.960 -0.001 0.000 0.285 471 G HA3 0.435 4.395 3.960 -0.001 0.000 0.285 471 G C -1.784 173.384 174.900 0.447 0.000 1.303 471 G CA 0.082 45.404 45.100 0.370 0.000 0.970 471 G HN 0.758 nan 8.290 nan 0.000 0.490 472 Q N -1.101 118.904 119.800 0.341 0.000 2.429 472 Q HA 0.572 4.911 4.340 -0.001 0.000 0.247 472 Q C -1.415 174.612 176.000 0.045 0.000 0.915 472 Q CA -0.487 55.495 55.803 0.299 0.000 0.971 472 Q CB 1.925 30.863 28.738 0.334 0.000 1.468 472 Q HN 1.155 nan 8.270 nan 0.000 0.439 473 V N 2.174 122.095 119.914 0.012 0.000 2.628 473 V HA 0.855 4.975 4.120 -0.001 0.000 0.306 473 V C -0.582 175.536 176.094 0.040 0.000 1.045 473 V CA -0.679 61.551 62.300 -0.117 0.000 0.905 473 V CB 2.044 33.658 31.823 -0.347 0.000 0.997 473 V HN 0.725 nan 8.190 nan 0.000 0.436 474 S N 2.928 118.645 115.700 0.029 0.000 2.552 474 S HA 0.562 5.031 4.470 -0.001 0.000 0.314 474 S C -0.935 173.698 174.600 0.054 0.000 1.099 474 S CA -0.475 57.796 58.200 0.118 0.000 1.070 474 S CB 1.567 64.925 63.200 0.265 0.000 0.998 474 S HN 0.716 nan 8.310 nan 0.000 0.474 475 V N 5.990 125.939 119.914 0.058 0.000 2.461 475 V HA 0.589 4.709 4.120 -0.001 0.000 0.275 475 V C -0.797 175.283 176.094 -0.024 0.000 1.047 475 V CA -0.122 62.186 62.300 0.014 0.000 0.955 475 V CB 0.245 32.080 31.823 0.020 0.000 0.988 475 V HN 1.067 nan 8.190 nan 0.000 0.471 476 c N 8.054 126.614 118.600 -0.066 0.000 2.949 476 c HA 0.422 4.992 4.570 -0.001 0.000 0.306 476 c C -2.438 171.541 174.090 -0.185 0.000 1.045 476 c CA -1.106 55.084 56.329 -0.233 0.000 1.414 476 c CB 0.773 43.118 42.510 -0.275 0.000 1.854 476 c HN 0.753 nan 8.230 nan 0.000 0.487 477 P HA 0.070 nan 4.420 nan 0.000 0.271 477 P C -0.160 177.093 177.300 -0.077 0.000 1.238 477 P CA -0.144 62.872 63.100 -0.141 0.000 0.794 477 P CB 0.548 32.145 31.700 -0.171 0.000 0.959 478 L N 1.872 123.140 121.223 0.075 0.000 2.843 478 L HA 0.340 4.680 4.340 -0.001 0.000 0.234 478 L C -2.178 174.764 176.870 0.119 0.000 1.264 478 L CA -1.792 53.175 54.840 0.212 0.000 1.052 478 L CB -0.584 41.525 42.059 0.083 0.000 1.372 478 L HN 0.226 nan 8.230 nan 0.000 0.466 479 P HA 0.005 nan 4.420 nan 0.000 0.264 479 P C -0.219 177.175 177.300 0.158 0.000 1.179 479 P CA 0.168 63.276 63.100 0.013 0.000 0.763 479 P CB 0.479 31.985 31.700 -0.323 0.000 0.806 480 R N 2.271 122.916 120.500 0.242 0.000 2.346 480 R HA 0.648 4.988 4.340 -0.001 0.000 0.311 480 R C -0.265 176.178 176.300 0.237 0.000 0.983 480 R CA -0.035 56.239 56.100 0.292 0.000 0.880 480 R CB 0.285 30.890 30.300 0.508 0.000 1.100 480 R HN 0.699 nan 8.270 nan 0.000 0.453 481 G N 4.325 113.266 108.800 0.235 0.000 2.491 481 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.508 481 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.508 481 G C -0.968 174.092 174.900 0.267 0.000 1.143 481 G CA -0.784 44.407 45.100 0.151 0.000 1.277 481 G HN 0.363 nan 8.290 nan 0.000 0.599 482 W N 1.828 123.141 121.300 0.022 0.000 2.005 482 W HA 0.458 5.119 4.660 0.002 0.000 0.358 482 W C 1.756 178.299 176.519 0.040 0.000 1.343 482 W CA 0.167 57.508 57.345 -0.007 0.000 1.355 482 W CB -0.171 29.264 29.460 -0.043 0.000 1.263 482 W HN 0.901 nan 8.180 nan 0.000 0.643 483 R N -1.197 119.469 120.500 0.276 0.000 3.954 483 R HA -0.237 4.103 4.340 -0.001 0.000 0.422 483 R C 0.286 176.712 176.300 0.210 0.000 1.091 483 R CA 1.397 57.612 56.100 0.193 0.000 1.168 483 R CB -1.212 29.193 30.300 0.175 0.000 1.752 483 R HN 0.494 nan 8.270 nan 0.000 0.547 484 R N -0.106 120.560 120.500 0.277 0.000 2.510 484 R HA 0.364 4.703 4.340 -0.001 0.000 0.287 484 R C -2.083 174.530 176.300 0.522 0.000 1.084 484 R CA -0.599 55.728 56.100 0.378 0.000 0.934 484 R CB 1.257 31.782 30.300 0.376 0.000 1.201 484 R HN 0.129 nan 8.270 nan 0.000 0.431 485 W N 6.841 128.320 121.300 0.299 0.000 4.199 485 W HA 0.325 4.983 4.660 -0.003 0.000 0.288 485 W C -2.272 174.342 176.519 0.158 0.000 1.244 485 W CA -0.695 56.655 57.345 0.009 0.000 1.309 485 W CB 0.807 30.183 29.460 -0.141 0.000 1.199 485 W HN 0.564 nan 8.180 nan 0.000 0.485 486 W N 5.002 125.934 121.300 -0.613 0.000 2.600 486 W HA 0.608 5.267 4.660 -0.001 0.000 0.325 486 W C -0.360 175.670 176.519 -0.815 0.000 1.034 486 W CA -1.148 55.871 57.345 -0.544 0.000 1.226 486 W CB 0.628 29.920 29.460 -0.280 0.000 1.379 486 W HN 0.268 nan 8.180 nan 0.000 0.466 487 c N 2.193 120.444 118.600 -0.580 0.000 2.546 487 c HA -0.062 4.508 4.570 -0.001 0.000 0.275 487 c C 0.884 174.895 174.090 -0.131 0.000 1.393 487 c CA 0.675 56.747 56.329 -0.429 0.000 1.703 487 c CB -1.893 40.508 42.510 -0.181 0.000 1.710 487 c HN 0.722 nan 8.230 nan 0.000 0.581 488 D N 0.458 120.869 120.400 0.018 0.000 2.930 488 D HA 0.332 4.971 4.640 -0.001 0.000 0.304 488 D C 0.521 176.988 176.300 0.278 0.000 1.298 488 D CA -0.062 54.012 54.000 0.123 0.000 0.949 488 D CB 0.130 40.975 40.800 0.074 0.000 1.013 488 D HN 0.265 nan 8.370 nan 0.000 0.510 489 A N 1.853 124.821 122.820 0.247 0.000 3.029 489 A HA 0.467 4.787 4.320 -0.001 0.000 0.251 489 A C 1.327 178.985 177.584 0.124 0.000 1.749 489 A CA -0.119 52.052 52.037 0.224 0.000 1.386 489 A CB -0.880 18.207 19.000 0.144 0.000 1.043 489 A HN 0.422 nan 8.150 nan 0.000 0.638 490 V N -1.341 118.641 119.914 0.113 0.000 0.682 490 V HA -0.386 3.733 4.120 -0.001 0.000 0.092 490 V C 1.204 177.372 176.094 0.122 0.000 0.919 490 V CA 2.006 64.359 62.300 0.089 0.000 3.126 490 V CB -2.139 29.713 31.823 0.049 0.000 0.271 490 V HN 1.276 nan 8.190 nan 0.000 0.224 491 L N 0.839 122.101 121.223 0.065 0.000 2.505 491 L HA 0.714 5.054 4.340 -0.001 0.000 0.226 491 L C -0.310 176.623 176.870 0.105 0.000 1.211 491 L CA 0.158 54.975 54.840 -0.037 0.000 0.828 491 L CB 0.167 42.196 42.059 -0.050 0.000 1.331 491 L HN 1.108 nan 8.230 nan 0.000 0.513 492 Y N -2.673 117.672 120.300 0.075 0.000 2.246 492 Y HA 0.639 5.190 4.550 0.002 0.000 0.315 492 Y C -0.230 175.744 175.900 0.124 0.000 1.251 492 Y CA -1.117 57.029 58.100 0.076 0.000 1.212 492 Y CB -0.208 38.300 38.460 0.080 0.000 1.277 492 Y HN 0.937 nan 8.280 nan 0.000 0.398 493 G N 2.427 111.348 108.800 0.202 0.000 2.483 493 G HA2 0.539 4.499 3.960 -0.001 0.000 0.248 493 G HA3 0.539 4.499 3.960 -0.001 0.000 0.248 493 G C -0.518 174.658 174.900 0.461 0.000 1.248 493 G CA -0.093 45.161 45.100 0.257 0.000 0.838 493 G HN 0.817 nan 8.290 nan 0.000 0.566 494 E N -0.454 119.874 120.200 0.215 0.000 2.212 494 E HA 0.555 4.905 4.350 -0.001 0.000 0.139 494 E C -1.001 175.298 176.600 -0.501 0.000 1.180 494 E CA -0.750 55.667 56.400 0.029 0.000 0.838 494 E CB 1.234 31.057 29.700 0.205 0.000 2.142 494 E HN 0.408 nan 8.360 nan 0.000 0.492 495 Q N -0.718 118.949 119.800 -0.222 0.000 2.791 495 Q HA 0.371 4.710 4.340 -0.001 0.000 0.280 495 Q C -1.728 174.288 176.000 0.027 0.000 0.928 495 Q CA -0.006 55.695 55.803 -0.171 0.000 0.819 495 Q CB 1.577 30.114 28.738 -0.335 0.000 1.552 495 Q HN 0.587 nan 8.270 nan 0.000 0.410 496 G N 1.739 110.588 108.800 0.081 0.000 3.506 496 G HA2 0.452 4.411 3.960 -0.001 0.000 0.268 496 G HA3 0.452 4.411 3.960 -0.001 0.000 0.268 496 G C -1.008 174.002 174.900 0.183 0.000 0.959 496 G CA 0.363 45.528 45.100 0.109 0.000 1.823 496 G HN 0.598 nan 8.290 nan 0.000 0.615 497 H N 0.746 119.852 119.070 0.060 0.000 3.298 497 H HA 0.342 4.897 4.556 -0.001 0.000 0.328 497 H C -2.793 172.593 175.328 0.097 0.000 1.278 497 H CA -0.925 55.167 56.048 0.072 0.000 1.609 497 H CB 1.939 31.758 29.762 0.095 0.000 2.082 497 H HN 0.186 nan 8.280 nan 0.000 0.465 498 P HA -0.116 nan 4.420 nan 0.000 0.270 498 P C -0.291 177.046 177.300 0.060 0.000 1.221 498 P CA 0.280 63.318 63.100 -0.103 0.000 0.788 498 P CB 0.372 31.904 31.700 -0.279 0.000 0.904 499 W N 0.181 121.453 121.300 -0.045 0.000 6.486 499 W HA -0.114 4.549 4.660 0.004 0.000 0.411 499 W C 1.237 177.830 176.519 0.124 0.000 1.595 499 W CA 1.268 58.627 57.345 0.024 0.000 1.075 499 W CB -2.419 27.032 29.460 -0.015 0.000 2.798 499 W HN 0.566 nan 8.180 nan 0.000 1.534 500 G N -0.880 108.135 108.800 0.359 0.000 2.784 500 G HA2 0.113 4.073 3.960 -0.001 0.000 0.208 500 G HA3 0.113 4.073 3.960 -0.001 0.000 0.208 500 G C 0.904 175.968 174.900 0.273 0.000 1.120 500 G CA 0.026 45.347 45.100 0.369 0.000 0.774 500 G HN 0.235 nan 8.290 nan 0.000 0.528 501 R N -0.815 119.803 120.500 0.196 0.000 3.209 501 R HA -0.194 4.145 4.340 -0.001 0.000 0.252 501 R C -0.741 175.647 176.300 0.146 0.000 0.958 501 R CA 0.234 56.370 56.100 0.060 0.000 0.651 501 R CB -2.210 28.093 30.300 0.006 0.000 1.142 501 R HN 0.425 nan 8.270 nan 0.000 0.441 502 F N 0.604 120.589 119.950 0.060 0.000 2.390 502 F HA 0.414 4.941 4.527 -0.000 0.000 0.361 502 F C 1.246 177.055 175.800 0.016 0.000 1.124 502 F CA 1.037 59.082 58.000 0.074 0.000 1.149 502 F CB 1.033 40.076 39.000 0.073 0.000 1.160 502 F HN 0.374 nan 8.300 nan 0.000 0.501 503 G N 3.501 111.976 108.800 -0.542 0.000 2.198 503 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.156 503 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.156 503 G C 0.847 175.592 174.900 -0.258 0.000 1.012 503 G CA 0.003 44.792 45.100 -0.519 0.000 0.692 503 G HN 1.125 nan 8.290 nan 0.000 0.492 504 A N -0.479 122.237 122.820 -0.173 0.000 1.940 504 A HA 0.598 4.917 4.320 -0.001 0.000 0.219 504 A C 1.611 179.142 177.584 -0.088 0.000 1.176 504 A CA 2.712 54.678 52.037 -0.118 0.000 0.631 504 A CB -0.191 18.764 19.000 -0.074 0.000 0.814 504 A HN 2.308 nan 8.150 nan 0.000 0.446 505 A N -2.436 120.326 122.820 -0.098 0.000 2.568 505 A HA 0.737 5.057 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 -0.094 51.897 52.037 -0.077 0.000 0.679 505 A CB 0.671 19.636 19.000 -0.059 0.000 1.285 505 A HN 1.527 nan 8.150 nan 0.000 0.428 506 L N -3.634 117.551 121.223 -0.063 0.000 3.025 506 L HA 0.787 5.127 4.340 -0.001 0.000 0.240 506 L C -0.698 176.155 176.870 -0.028 0.000 0.985 506 L CA -0.152 54.657 54.840 -0.052 0.000 1.029 506 L CB 0.981 42.985 42.059 -0.092 0.000 1.519 506 L HN 1.213 nan 8.230 nan 0.000 0.422 507 T N 0.029 114.577 114.554 -0.010 0.000 2.923 507 T HA 0.620 4.969 4.350 -0.001 0.000 0.311 507 T C -1.290 173.418 174.700 0.014 0.000 1.183 507 T CA -0.244 61.858 62.100 0.004 0.000 1.020 507 T CB 2.110 70.984 68.868 0.010 0.000 1.165 507 T HN 1.447 nan 8.240 nan 0.000 0.482 508 V N 5.797 125.722 119.914 0.018 0.000 2.599 508 V HA 0.294 4.414 4.120 -0.001 0.000 0.300 508 V C 0.749 176.860 176.094 0.029 0.000 1.034 508 V CA 0.308 62.624 62.300 0.026 0.000 1.115 508 V CB 0.808 32.649 31.823 0.029 0.000 0.934 508 V HN 0.870 nan 8.190 nan 0.000 0.485 509 L N 7.043 128.287 121.223 0.034 0.000 2.500 509 L HA 0.672 5.012 4.340 -0.001 0.000 0.219 509 L C 1.018 177.907 176.870 0.033 0.000 1.057 509 L CA 1.869 56.728 54.840 0.032 0.000 0.854 509 L CB -0.375 41.704 42.059 0.032 0.000 1.078 509 L HN 1.202 nan 8.230 nan 0.000 0.480 510 G N -0.365 108.460 108.800 0.041 0.000 2.482 510 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.214 510 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.214 510 G C -0.966 173.967 174.900 0.056 0.000 1.271 510 G CA -0.069 45.058 45.100 0.046 0.000 0.944 510 G HN 0.292 nan 8.290 nan 0.000 0.568 511 D N 1.017 121.450 120.400 0.055 0.000 2.352 511 D HA 0.355 4.995 4.640 -0.001 0.000 0.245 511 D C 1.700 178.030 176.300 0.050 0.000 1.224 511 D CA 0.503 54.542 54.000 0.065 0.000 0.879 511 D CB 1.077 41.917 40.800 0.067 0.000 1.057 511 D HN 1.041 nan 8.370 nan 0.000 0.491 512 V N 2.178 122.118 119.914 0.044 0.000 3.151 512 V HA 0.089 4.209 4.120 -0.001 0.000 0.241 512 V C 1.417 177.508 176.094 -0.005 0.000 1.173 512 V CA 0.598 62.902 62.300 0.007 0.000 1.154 512 V CB -0.388 31.419 31.823 -0.027 0.000 0.898 512 V HN 0.463 nan 8.190 nan 0.000 0.473 513 N N 1.408 120.105 118.700 -0.005 0.000 2.336 513 N HA 0.273 5.013 4.740 -0.001 0.000 0.189 513 N C 1.490 177.144 175.510 0.241 0.000 1.113 513 N CA 0.764 53.833 53.050 0.031 0.000 0.858 513 N CB 0.347 38.748 38.487 -0.142 0.000 0.970 513 N HN 0.956 nan 8.380 nan 0.000 0.471 514 G N 1.112 110.031 108.800 0.199 0.000 2.143 514 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.248 514 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.248 514 G C -0.024 175.084 174.900 0.348 0.000 0.991 514 G CA 0.478 45.733 45.100 0.257 0.000 0.689 514 G HN 0.681 nan 8.290 nan 0.000 0.522 515 D N -0.078 120.468 120.400 0.244 0.000 2.434 515 D HA 0.269 4.909 4.640 -0.001 0.000 0.232 515 D C 1.376 177.756 176.300 0.133 0.000 1.166 515 D CA -0.102 54.005 54.000 0.177 0.000 0.830 515 D CB 0.011 40.833 40.800 0.037 0.000 0.960 515 D HN 0.286 nan 8.370 nan 0.000 0.497 516 K N -0.553 119.927 120.400 0.133 0.000 3.426 516 K HA -0.191 4.129 4.320 -0.001 0.000 0.315 516 K C -0.400 176.255 176.600 0.092 0.000 1.293 516 K CA 0.538 56.886 56.287 0.101 0.000 0.955 516 K CB -2.001 30.553 32.500 0.091 0.000 1.238 516 K HN 0.429 nan 8.250 nan 0.000 0.441 517 L N 1.931 123.216 121.223 0.103 0.000 2.337 517 L HA 0.184 4.523 4.340 -0.001 0.000 0.269 517 L C 0.784 177.733 176.870 0.131 0.000 1.018 517 L CA -0.405 54.502 54.840 0.111 0.000 0.876 517 L CB 1.706 43.834 42.059 0.116 0.000 1.236 517 L HN -0.041 nan 8.230 nan 0.000 0.436 518 T N 1.738 116.358 114.554 0.110 0.000 2.923 518 T HA -0.020 4.330 4.350 -0.001 0.000 0.320 518 T C -0.314 174.463 174.700 0.129 0.000 1.074 518 T CA 0.384 62.546 62.100 0.103 0.000 1.131 518 T CB 0.101 69.017 68.868 0.081 0.000 1.058 518 T HN 0.468 nan 8.240 nan 0.000 0.535 519 D N 1.624 122.089 120.400 0.109 0.000 2.575 519 D HA 0.554 5.194 4.640 -0.001 0.000 0.236 519 D C -0.325 176.009 176.300 0.057 0.000 1.075 519 D CA -0.331 53.722 54.000 0.088 0.000 0.860 519 D CB 1.867 42.715 40.800 0.080 0.000 1.475 519 D HN 0.498 nan 8.370 nan 0.000 0.474 520 V N -1.700 118.252 119.914 0.063 0.000 3.046 520 V HA 0.846 4.966 4.120 -0.001 0.000 0.316 520 V C -0.386 175.771 176.094 0.105 0.000 1.104 520 V CA -0.751 61.588 62.300 0.066 0.000 1.006 520 V CB 1.832 33.680 31.823 0.043 0.000 1.058 520 V HN 0.281 nan 8.190 nan 0.000 0.440 521 V N 2.785 122.751 119.914 0.087 0.000 2.715 521 V HA 0.649 4.769 4.120 -0.001 0.000 0.310 521 V C -0.355 175.801 176.094 0.103 0.000 1.054 521 V CA -0.458 61.915 62.300 0.121 0.000 0.928 521 V CB 1.736 33.605 31.823 0.076 0.000 1.007 521 V HN 0.836 nan 8.190 nan 0.000 0.437 522 I N 2.070 122.752 120.570 0.186 0.000 2.607 522 I HA 0.569 4.739 4.170 -0.001 0.000 0.290 522 I C 0.480 176.727 176.117 0.217 0.000 1.129 522 I CA -0.433 60.952 61.300 0.141 0.000 1.042 522 I CB 2.200 40.270 38.000 0.116 0.000 1.242 522 I HN 0.756 nan 8.210 nan 0.000 0.421 523 G N 3.730 112.568 108.800 0.064 0.000 2.504 523 G HA2 0.715 4.674 3.960 -0.001 0.000 0.288 523 G HA3 0.715 4.674 3.960 -0.001 0.000 0.288 523 G C -0.521 174.482 174.900 0.172 0.000 1.182 523 G CA -0.388 44.735 45.100 0.039 0.000 0.894 523 G HN 0.836 nan 8.290 nan 0.000 0.521 524 A N 1.441 124.366 122.820 0.175 0.000 2.913 524 A HA 0.592 4.912 4.320 -0.001 0.000 0.284 524 A C -2.339 175.370 177.584 0.210 0.000 1.273 524 A CA -0.588 51.620 52.037 0.285 0.000 0.899 524 A CB 1.270 20.631 19.000 0.603 0.000 1.444 524 A HN 0.327 nan 8.150 nan 0.000 0.586 525 P HA 0.061 nan 4.420 nan 0.000 0.242 525 P C 1.344 178.783 177.300 0.232 0.000 1.197 525 P CA 1.603 64.828 63.100 0.209 0.000 0.765 525 P CB 0.337 32.154 31.700 0.194 0.000 0.936 526 G N -1.418 107.508 108.800 0.210 0.000 3.020 526 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.217 526 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.217 526 G C 0.565 175.641 174.900 0.293 0.000 1.144 526 G CA -0.067 45.169 45.100 0.227 0.000 0.760 526 G HN 0.106 nan 8.290 nan 0.000 0.548 527 E N 1.139 121.494 120.200 0.259 0.000 2.447 527 E HA 0.116 4.465 4.350 -0.001 0.000 0.259 527 E C 0.783 177.419 176.600 0.061 0.000 1.196 527 E CA 0.109 56.600 56.400 0.151 0.000 0.995 527 E CB 0.471 30.203 29.700 0.055 0.000 0.974 527 E HN 0.514 nan 8.360 nan 0.000 0.465 528 E N 0.057 120.042 120.200 -0.359 0.000 3.675 528 E HA -0.291 4.059 4.350 -0.001 0.000 0.252 528 E C -0.084 176.661 176.600 0.242 0.000 1.502 528 E CA 1.523 57.868 56.400 -0.092 0.000 2.293 528 E CB -0.613 29.055 29.700 -0.053 0.000 2.078 528 E HN 0.701 nan 8.360 nan 0.000 0.461 529 E N 2.286 122.586 120.200 0.167 0.000 1.972 529 E HA 0.095 4.444 4.350 -0.001 0.000 0.292 529 E C 0.281 176.988 176.600 0.178 0.000 1.193 529 E CA 0.522 57.027 56.400 0.175 0.000 1.228 529 E CB 0.080 29.852 29.700 0.121 0.000 1.167 529 E HN 0.569 nan 8.360 nan 0.000 0.479 530 N N 1.315 120.150 118.700 0.226 0.000 2.946 530 N HA -0.215 4.524 4.740 -0.001 0.000 0.228 530 N C -0.462 175.187 175.510 0.233 0.000 0.873 530 N CA 1.135 54.324 53.050 0.231 0.000 1.029 530 N CB -0.556 38.063 38.487 0.220 0.000 1.047 530 N HN 0.405 nan 8.380 nan 0.000 0.612 531 R N 0.532 121.138 120.500 0.176 0.000 2.905 531 R HA 0.341 4.680 4.340 -0.001 0.000 0.273 531 R C 1.271 177.697 176.300 0.209 0.000 1.033 531 R CA 0.759 56.947 56.100 0.147 0.000 1.182 531 R CB -0.621 29.723 30.300 0.072 0.000 1.097 531 R HN 0.311 nan 8.270 nan 0.000 0.504 532 G N -1.084 107.870 108.800 0.257 0.000 2.557 532 G HA2 0.567 4.526 3.960 -0.001 0.000 0.292 532 G HA3 0.567 4.526 3.960 -0.001 0.000 0.292 532 G C -1.046 174.108 174.900 0.423 0.000 1.237 532 G CA 0.126 45.513 45.100 0.478 0.000 0.978 532 G HN 0.679 nan 8.290 nan 0.000 0.498 533 A N -1.806 121.292 122.820 0.464 0.000 2.590 533 A HA 0.649 4.969 4.320 -0.001 0.000 0.294 533 A C -1.380 176.234 177.584 0.050 0.000 1.046 533 A CA -0.366 51.815 52.037 0.240 0.000 0.684 533 A CB 1.195 20.206 19.000 0.018 0.000 1.279 533 A HN 1.495 nan 8.150 nan 0.000 0.415 534 V N 0.335 120.174 119.914 -0.126 0.000 3.114 534 V HA 0.730 4.849 4.120 -0.001 0.000 0.308 534 V C -1.464 174.391 176.094 -0.399 0.000 1.168 534 V CA -0.631 61.588 62.300 -0.135 0.000 1.015 534 V CB 2.087 33.905 31.823 -0.009 0.000 1.050 534 V HN 0.915 nan 8.190 nan 0.000 0.433 535 Y N 1.883 122.289 120.300 0.178 0.000 2.576 535 Y HA 0.835 5.384 4.550 -0.001 0.000 0.346 535 Y C -0.671 175.369 175.900 0.233 0.000 1.018 535 Y CA -0.967 57.232 58.100 0.165 0.000 1.050 535 Y CB 2.094 40.765 38.460 0.352 0.000 1.280 535 Y HN 0.508 nan 8.280 nan 0.000 0.474 536 L N 2.317 123.711 121.223 0.285 0.000 2.406 536 L HA 0.695 5.035 4.340 -0.001 0.000 0.272 536 L C -2.033 174.831 176.870 -0.009 0.000 0.980 536 L CA -0.624 54.321 54.840 0.176 0.000 0.831 536 L CB 0.639 42.724 42.059 0.044 0.000 1.253 536 L HN 0.456 nan 8.230 nan 0.000 0.406 537 F N 2.778 122.661 119.950 -0.111 0.000 2.639 537 F HA 0.696 5.223 4.527 0.000 0.000 0.339 537 F C 0.119 175.681 175.800 -0.398 0.000 1.071 537 F CA -0.654 57.261 58.000 -0.142 0.000 0.994 537 F CB 1.582 40.610 39.000 0.047 0.000 1.341 537 F HN 0.401 nan 8.300 nan 0.000 0.498 538 H N -0.981 118.271 119.070 0.304 0.000 2.895 538 H HA 0.495 5.051 4.556 0.000 0.000 0.373 538 H C -0.015 175.417 175.328 0.173 0.000 1.174 538 H CA -0.982 55.183 56.048 0.195 0.000 1.144 538 H CB 1.612 31.467 29.762 0.155 0.000 1.793 538 H HN 0.778 nan 8.280 nan 0.000 0.551 539 G N 0.021 108.972 108.800 0.252 0.000 2.588 539 G HA2 0.398 4.358 3.960 -0.001 0.000 0.278 539 G HA3 0.398 4.358 3.960 -0.001 0.000 0.278 539 G C 0.382 175.375 174.900 0.155 0.000 1.307 539 G CA -0.006 45.198 45.100 0.173 0.000 1.016 539 G HN 0.358 nan 8.290 nan 0.000 0.503 540 V N -1.258 118.726 119.914 0.117 0.000 4.771 540 V HA 0.417 4.537 4.120 -0.001 0.000 0.148 540 V C -0.072 176.071 176.094 0.080 0.000 1.138 540 V CA -0.015 62.342 62.300 0.095 0.000 1.282 540 V CB -0.194 31.681 31.823 0.088 0.000 1.742 540 V HN 0.406 nan 8.190 nan 0.000 0.563 541 L N 0.710 121.978 121.223 0.076 0.000 2.620 541 L HA 0.638 4.978 4.340 -0.001 0.000 0.261 541 L C 0.324 177.235 176.870 0.069 0.000 0.978 541 L CA 0.381 55.263 54.840 0.069 0.000 0.897 541 L CB 1.184 43.281 42.059 0.064 0.000 1.207 541 L HN 0.667 nan 8.230 nan 0.000 0.425 542 G N 4.404 113.245 108.800 0.068 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 -2.673 172.269 174.900 0.071 0.000 1.150 542 G CA -0.377 44.764 45.100 0.068 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 -0.350 176.990 177.300 0.067 0.000 1.428 543 P CA 1.036 64.175 63.100 0.064 0.000 0.995 543 P CB 0.329 32.067 31.700 0.063 0.000 1.286 544 S N 3.400 119.140 115.700 0.068 0.000 2.680 544 S HA 0.640 5.110 4.470 -0.001 0.000 0.284 544 S C -0.741 173.912 174.600 0.088 0.000 1.055 544 S CA -0.950 57.294 58.200 0.074 0.000 0.849 544 S CB 0.298 63.544 63.200 0.076 0.000 1.068 544 S HN 0.422 nan 8.310 nan 0.000 0.453 545 I N -1.552 119.078 120.570 0.100 0.000 3.264 545 I HA 0.885 5.055 4.170 -0.001 0.000 0.315 545 I C -0.610 175.616 176.117 0.181 0.000 1.154 545 I CA -0.865 60.523 61.300 0.145 0.000 0.962 545 I CB 2.021 40.099 38.000 0.130 0.000 1.265 545 I HN 0.682 nan 8.210 nan 0.000 0.463 546 S N 2.615 118.475 115.700 0.266 0.000 2.404 546 S HA 0.480 4.949 4.470 -0.001 0.000 0.309 546 S C -1.748 173.057 174.600 0.342 0.000 1.076 546 S CA -1.486 56.863 58.200 0.247 0.000 1.095 546 S CB 0.568 63.907 63.200 0.232 0.000 0.972 546 S HN 0.559 nan 8.310 nan 0.000 0.484 547 P HA -0.088 nan 4.420 nan 0.000 0.216 547 P C 0.056 177.495 177.300 0.232 0.000 1.157 547 P CA 0.951 64.224 63.100 0.288 0.000 0.880 547 P CB 0.014 31.782 31.700 0.113 0.000 0.791 548 S N 1.040 116.779 115.700 0.066 0.000 2.443 548 S HA 0.043 4.512 4.470 -0.001 0.000 0.284 548 S C 0.509 174.980 174.600 -0.215 0.000 1.206 548 S CA -0.336 57.809 58.200 -0.092 0.000 1.074 548 S CB -0.759 62.386 63.200 -0.092 0.000 0.963 548 S HN 0.300 nan 8.310 nan 0.000 0.501 549 H N 1.466 120.280 119.070 -0.428 0.000 2.607 549 H HA 0.289 4.845 4.556 -0.000 0.000 0.367 549 H C 0.973 176.196 175.328 -0.176 0.000 1.181 549 H CA -0.141 55.538 56.048 -0.615 0.000 1.402 549 H CB 0.512 29.759 29.762 -0.857 0.000 1.474 549 H HN 0.540 nan 8.280 nan 0.000 0.596 550 S N 0.669 116.393 115.700 0.041 0.000 2.483 550 S HA 0.031 4.501 4.470 -0.001 0.000 0.221 550 S C 0.720 175.428 174.600 0.181 0.000 1.030 550 S CA -0.059 58.239 58.200 0.164 0.000 0.925 550 S CB 0.399 63.916 63.200 0.528 0.000 0.795 550 S HN 0.744 nan 8.310 nan 0.000 0.511 551 Q N 0.220 120.158 119.800 0.229 0.000 2.421 551 Q HA 0.565 4.904 4.340 -0.001 0.000 0.280 551 Q C -1.314 174.820 176.000 0.223 0.000 1.085 551 Q CA -0.810 55.118 55.803 0.208 0.000 0.807 551 Q CB 1.826 30.656 28.738 0.154 0.000 1.405 551 Q HN 0.301 nan 8.270 nan 0.000 0.419 552 R N 3.864 124.429 120.500 0.108 0.000 2.627 552 R HA 0.324 4.663 4.340 -0.001 0.000 0.251 552 R C -1.124 175.115 176.300 -0.101 0.000 1.524 552 R CA -0.165 55.884 56.100 -0.085 0.000 1.606 552 R CB 0.206 30.491 30.300 -0.024 0.000 1.396 552 R HN 0.634 nan 8.270 nan 0.000 0.724 553 I N 2.543 123.085 120.570 -0.047 0.000 2.680 553 I HA 0.033 4.203 4.170 -0.001 0.000 0.286 553 I C 0.788 176.901 176.117 -0.006 0.000 1.144 553 I CA 0.314 61.608 61.300 -0.010 0.000 1.370 553 I CB 0.680 38.708 38.000 0.047 0.000 1.420 553 I HN 0.417 nan 8.210 nan 0.000 0.540 554 A N 4.970 127.757 122.820 -0.054 0.000 2.452 554 A HA 0.699 5.019 4.320 -0.001 0.000 0.285 554 A C 1.252 178.734 177.584 -0.169 0.000 1.209 554 A CA -0.160 51.852 52.037 -0.042 0.000 0.940 554 A CB 0.280 19.238 19.000 -0.069 0.000 1.440 554 A HN 0.719 nan 8.150 nan 0.000 0.480 555 G N -0.473 108.233 108.800 -0.156 0.000 3.061 555 G HA2 0.249 4.208 3.960 -0.001 0.000 0.208 555 G HA3 0.249 4.208 3.960 -0.001 0.000 0.208 555 G C 0.490 175.290 174.900 -0.167 0.000 1.175 555 G CA 0.881 45.825 45.100 -0.260 0.000 0.812 555 G HN 0.501 nan 8.290 nan 0.000 0.523 556 S N 0.122 115.747 115.700 -0.125 0.000 2.572 556 S HA 0.134 4.604 4.470 -0.001 0.000 0.228 556 S C 0.946 175.492 174.600 -0.090 0.000 0.963 556 S CA -0.141 58.008 58.200 -0.086 0.000 0.939 556 S CB 0.344 63.509 63.200 -0.058 0.000 0.804 556 S HN 0.224 nan 8.310 nan 0.000 0.480 557 Q N 1.494 121.218 119.800 -0.126 0.000 3.135 557 Q HA 0.329 4.669 4.340 -0.001 0.000 0.344 557 Q C 0.171 176.110 176.000 -0.101 0.000 1.321 557 Q CA -0.198 55.542 55.803 -0.105 0.000 1.050 557 Q CB -0.558 28.109 28.738 -0.118 0.000 1.498 557 Q HN 0.479 nan 8.270 nan 0.000 0.503 558 L N 0.226 121.401 121.223 -0.081 0.000 3.948 558 L HA -0.263 4.076 4.340 -0.001 0.000 0.453 558 L C 0.362 177.175 176.870 -0.094 0.000 1.137 558 L CA 0.435 55.230 54.840 -0.074 0.000 0.881 558 L CB -1.546 40.478 42.059 -0.057 0.000 1.797 558 L HN 0.237 nan 8.230 nan 0.000 0.957 559 S N -0.706 114.917 115.700 -0.129 0.000 2.437 559 S HA 0.218 4.688 4.470 -0.001 0.000 0.304 559 S C 1.512 176.052 174.600 -0.100 0.000 1.167 559 S CA 0.238 58.353 58.200 -0.142 0.000 1.106 559 S CB 1.093 64.158 63.200 -0.226 0.000 1.099 559 S HN 0.389 nan 8.310 nan 0.000 0.524 560 S N 5.215 120.869 115.700 -0.077 0.000 2.369 560 S HA -0.082 4.388 4.470 -0.001 0.000 0.225 560 S C 0.664 175.233 174.600 -0.052 0.000 1.043 560 S CA 1.257 59.423 58.200 -0.057 0.000 1.074 560 S CB -0.144 63.026 63.200 -0.049 0.000 0.962 560 S HN 0.837 nan 8.310 nan 0.000 0.433 561 R N -0.099 120.368 120.500 -0.054 0.000 3.033 561 R HA 0.354 4.694 4.340 -0.001 0.000 0.236 561 R C -1.756 174.512 176.300 -0.052 0.000 1.774 561 R CA -0.002 56.071 56.100 -0.045 0.000 1.401 561 R CB 0.444 30.725 30.300 -0.032 0.000 1.539 561 R HN 0.180 nan 8.270 nan 0.000 0.618 562 L N 1.691 122.875 121.223 -0.065 0.000 2.362 562 L HA 0.356 4.695 4.340 -0.001 0.000 0.275 562 L C 1.130 177.960 176.870 -0.066 0.000 0.998 562 L CA -0.463 54.334 54.840 -0.072 0.000 0.820 562 L CB 2.489 44.513 42.059 -0.058 0.000 1.270 562 L HN 0.485 nan 8.230 nan 0.000 0.415 563 Q N 2.861 122.584 119.800 -0.128 0.000 1.890 563 Q HA -0.083 4.257 4.340 -0.001 0.000 0.208 563 Q C -0.717 175.307 176.000 0.040 0.000 0.982 563 Q CA 1.642 57.401 55.803 -0.072 0.000 0.856 563 Q CB 0.113 28.764 28.738 -0.146 0.000 0.915 563 Q HN 0.599 nan 8.270 nan 0.000 0.427 564 Y N -0.621 119.758 120.300 0.132 0.000 2.328 564 Y HA 0.527 5.079 4.550 0.003 0.000 0.337 564 Y C -0.940 175.092 175.900 0.221 0.000 0.966 564 Y CA -1.712 56.486 58.100 0.164 0.000 1.136 564 Y CB 0.428 38.958 38.460 0.116 0.000 1.170 564 Y HN 0.128 nan 8.280 nan 0.000 0.470 565 F N 2.141 122.176 119.950 0.142 0.000 2.563 565 F HA 0.823 5.350 4.527 0.000 0.000 0.316 565 F C 0.517 176.380 175.800 0.105 0.000 1.076 565 F CA -0.497 57.558 58.000 0.092 0.000 0.921 565 F CB 2.354 41.376 39.000 0.038 0.000 1.209 565 F HN 0.873 nan 8.300 nan 0.000 0.462 566 G N 2.913 111.330 108.800 -0.639 0.000 2.179 566 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.220 566 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.220 566 G C 0.622 175.399 174.900 -0.205 0.000 0.990 566 G CA 0.343 45.074 45.100 -0.615 0.000 0.646 566 G HN 0.791 nan 8.290 nan 0.000 0.517 567 Q N -0.082 119.678 119.800 -0.067 0.000 2.047 567 Q HA 0.109 4.449 4.340 -0.001 0.000 0.211 567 Q C 1.606 177.580 176.000 -0.044 0.000 1.005 567 Q CA 2.153 57.952 55.803 -0.006 0.000 0.866 567 Q CB -0.128 28.647 28.738 0.060 0.000 0.938 567 Q HN 1.342 nan 8.270 nan 0.000 0.414 568 A N -0.579 122.208 122.820 -0.056 0.000 2.479 568 A HA 0.743 5.063 4.320 -0.001 0.000 0.296 568 A C -1.608 175.938 177.584 -0.064 0.000 1.121 568 A CA -0.794 51.209 52.037 -0.056 0.000 0.743 568 A CB 1.537 20.509 19.000 -0.046 0.000 1.323 568 A HN 0.254 nan 8.150 nan 0.000 0.415 569 L N -2.793 118.403 121.223 -0.045 0.000 2.700 569 L HA 0.806 5.146 4.340 -0.001 0.000 0.255 569 L C -0.827 176.039 176.870 -0.007 0.000 0.933 569 L CA -0.358 54.465 54.840 -0.029 0.000 0.920 569 L CB 1.287 43.316 42.059 -0.050 0.000 1.472 569 L HN 0.485 nan 8.230 nan 0.000 0.426 570 S N 0.128 115.836 115.700 0.013 0.000 2.572 570 S HA 0.961 5.431 4.470 -0.001 0.000 0.274 570 S C -0.310 174.310 174.600 0.034 0.000 1.150 570 S CA -0.130 58.084 58.200 0.023 0.000 0.944 570 S CB 1.898 65.116 63.200 0.030 0.000 1.071 570 S HN 1.304 nan 8.310 nan 0.000 0.479 571 G N -0.124 108.695 108.800 0.031 0.000 2.766 571 G HA2 0.707 4.667 3.960 -0.001 0.000 0.288 571 G HA3 0.707 4.667 3.960 -0.001 0.000 0.288 571 G C 0.362 175.277 174.900 0.026 0.000 1.408 571 G CA -0.087 45.032 45.100 0.032 0.000 0.852 571 G HN 1.508 nan 8.290 nan 0.000 0.487 572 G N -1.583 107.230 108.800 0.022 0.000 2.367 572 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.181 572 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.181 572 G C 0.057 174.962 174.900 0.009 0.000 1.000 572 G CA 0.195 45.305 45.100 0.016 0.000 0.693 572 G HN 0.730 nan 8.290 nan 0.000 0.480 573 Q N 0.853 120.659 119.800 0.010 0.000 2.282 573 Q HA 0.562 4.902 4.340 -0.001 0.000 0.260 573 Q C -0.922 175.075 176.000 -0.006 0.000 0.964 573 Q CA -0.577 55.227 55.803 0.001 0.000 0.880 573 Q CB 2.064 30.806 28.738 0.007 0.000 1.286 573 Q HN 0.240 nan 8.270 nan 0.000 0.445 574 D N 2.073 122.462 120.400 -0.018 0.000 2.365 574 D HA 0.161 4.801 4.640 -0.001 0.000 0.237 574 D C -0.113 176.160 176.300 -0.044 0.000 1.190 574 D CA -0.353 53.626 54.000 -0.036 0.000 0.867 574 D CB 0.590 41.368 40.800 -0.036 0.000 1.050 574 D HN 0.488 nan 8.370 nan 0.000 0.491 575 L N 1.983 123.170 121.223 -0.061 0.000 2.577 575 L HA 0.300 4.640 4.340 -0.001 0.000 0.225 575 L C 1.849 178.633 176.870 -0.142 0.000 1.053 575 L CA 0.614 55.419 54.840 -0.060 0.000 0.866 575 L CB -1.092 40.966 42.059 -0.003 0.000 1.132 575 L HN 0.348 nan 8.230 nan 0.000 0.486 576 T N -3.678 110.709 114.554 -0.279 0.000 3.113 576 T HA 0.081 4.431 4.350 -0.001 0.000 0.256 576 T C 1.063 175.557 174.700 -0.344 0.000 1.131 576 T CA 0.763 62.491 62.100 -0.620 0.000 1.074 576 T CB -0.384 67.869 68.868 -1.025 0.000 0.944 576 T HN 0.544 nan 8.240 nan 0.000 0.516 577 Q N 0.421 120.112 119.800 -0.181 0.000 2.305 577 Q HA -0.182 4.158 4.340 -0.001 0.000 0.203 577 Q C -0.828 175.124 176.000 -0.080 0.000 0.663 577 Q CA 1.143 56.888 55.803 -0.095 0.000 1.389 577 Q CB -1.848 26.857 28.738 -0.056 0.000 1.566 577 Q HN 0.926 nan 8.270 nan 0.000 0.755 578 D N -0.465 119.865 120.400 -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 -0.064 0.000 1.120 578 D CA 0.572 54.527 54.000 -0.074 0.000 0.890 578 D CB 0.547 41.300 40.800 -0.077 0.000 1.201 578 D HN 0.092 nan 8.370 nan 0.000 0.433 579 G N 1.514 110.291 108.800 -0.039 0.000 2.586 579 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.218 579 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.218 579 G C 0.611 175.493 174.900 -0.030 0.000 1.216 579 G CA 0.793 45.875 45.100 -0.030 0.000 0.786 579 G HN 0.511 nan 8.290 nan 0.000 0.583 580 L N 0.607 121.815 121.223 -0.026 0.000 2.475 580 L HA 0.463 4.803 4.340 -0.001 0.000 0.253 580 L C 1.093 177.949 176.870 -0.023 0.000 1.198 580 L CA -0.828 54.002 54.840 -0.017 0.000 0.814 580 L CB 1.220 43.273 42.059 -0.009 0.000 1.134 580 L HN 0.348 nan 8.230 nan 0.000 0.478 581 V N -0.385 119.521 119.914 -0.012 0.000 3.484 581 V HA 0.262 4.381 4.120 -0.001 0.000 0.304 581 V C -0.274 175.812 176.094 -0.014 0.000 1.116 581 V CA -0.428 61.865 62.300 -0.010 0.000 1.187 581 V CB 0.244 32.069 31.823 0.002 0.000 1.062 581 V HN 0.777 nan 8.190 nan 0.000 0.489 582 D N 0.432 120.828 120.400 -0.007 0.000 2.523 582 D HA 0.722 5.362 4.640 -0.001 0.000 0.236 582 D C -1.147 175.165 176.300 0.021 0.000 1.094 582 D CA -0.340 53.659 54.000 -0.001 0.000 0.942 582 D CB 2.248 43.040 40.800 -0.014 0.000 1.447 582 D HN 0.684 nan 8.370 nan 0.000 0.479 583 L N 0.476 121.720 121.223 0.033 0.000 2.381 583 L HA 0.766 5.105 4.340 -0.001 0.000 0.268 583 L C -1.468 175.441 176.870 0.067 0.000 0.997 583 L CA -0.632 54.236 54.840 0.046 0.000 0.818 583 L CB 1.774 43.861 42.059 0.046 0.000 1.310 583 L HN 0.462 nan 8.230 nan 0.000 0.416 584 A N 4.678 127.539 122.820 0.069 0.000 2.311 584 A HA 0.762 5.082 4.320 -0.001 0.000 0.306 584 A C -1.485 176.137 177.584 0.063 0.000 1.189 584 A CA -0.491 51.599 52.037 0.088 0.000 0.791 584 A CB 1.209 20.269 19.000 0.100 0.000 1.172 584 A HN 0.498 nan 8.150 nan 0.000 0.481 585 V N 2.708 122.671 119.914 0.080 0.000 2.407 585 V HA 0.602 4.721 4.120 -0.001 0.000 0.291 585 V C 0.910 177.043 176.094 0.065 0.000 1.018 585 V CA -0.296 62.018 62.300 0.024 0.000 0.842 585 V CB 1.513 33.324 31.823 -0.019 0.000 0.996 585 V HN 1.093 nan 8.190 nan 0.000 0.426 586 G N 3.308 112.116 108.800 0.014 0.000 2.467 586 G HA2 0.673 4.633 3.960 -0.001 0.000 0.257 586 G HA3 0.673 4.633 3.960 -0.001 0.000 0.257 586 G C -0.240 174.704 174.900 0.075 0.000 1.227 586 G CA 0.368 45.492 45.100 0.039 0.000 0.835 586 G HN 1.166 nan 8.290 nan 0.000 0.556 587 A N 2.006 124.909 122.820 0.138 0.000 2.566 587 A HA 0.756 5.076 4.320 -0.001 0.000 0.292 587 A C 0.101 177.755 177.584 0.118 0.000 1.112 587 A CA -0.909 51.233 52.037 0.175 0.000 0.707 587 A CB 1.164 20.337 19.000 0.288 0.000 1.302 587 A HN 0.785 nan 8.150 nan 0.000 0.409 588 R N 0.281 120.793 120.500 0.020 0.000 2.446 588 R HA 0.368 4.708 4.340 -0.001 0.000 0.325 588 R C 1.243 177.568 176.300 0.043 0.000 0.997 588 R CA 1.913 57.995 56.100 -0.030 0.000 1.010 588 R CB -0.475 29.618 30.300 -0.344 0.000 0.946 588 R HN 1.943 nan 8.270 nan 0.000 0.422 589 G N 2.842 111.742 108.800 0.166 0.000 2.490 589 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.214 589 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.214 589 G C -0.298 174.784 174.900 0.304 0.000 1.151 589 G CA 0.319 45.529 45.100 0.183 0.000 0.684 589 G HN 0.685 nan 8.290 nan 0.000 0.518 590 Q N -0.614 119.354 119.800 0.280 0.000 2.484 590 Q HA 0.801 5.141 4.340 -0.001 0.000 0.285 590 Q C -1.547 174.650 176.000 0.328 0.000 1.097 590 Q CA -0.795 55.208 55.803 0.333 0.000 0.802 590 Q CB 2.901 31.734 28.738 0.158 0.000 1.444 590 Q HN 1.040 nan 8.270 nan 0.000 0.429 591 V N 1.894 122.026 119.914 0.362 0.000 2.709 591 V HA 0.551 4.670 4.120 -0.001 0.000 0.308 591 V C -1.694 174.553 176.094 0.255 0.000 1.062 591 V CA -0.665 61.799 62.300 0.274 0.000 0.901 591 V CB 1.837 33.797 31.823 0.230 0.000 1.003 591 V HN 0.765 nan 8.190 nan 0.000 0.425 592 L N 6.263 127.609 121.223 0.206 0.000 2.334 592 L HA 0.657 4.996 4.340 -0.001 0.000 0.270 592 L C -0.468 176.490 176.870 0.147 0.000 1.018 592 L CA -0.300 54.627 54.840 0.146 0.000 0.811 592 L CB 1.804 43.944 42.059 0.136 0.000 1.271 592 L HN 0.540 nan 8.230 nan 0.000 0.443 593 L N 2.896 124.179 121.223 0.101 0.000 2.343 593 L HA 0.472 4.812 4.340 -0.001 0.000 0.278 593 L C -1.369 175.542 176.870 0.069 0.000 0.996 593 L CA -0.584 54.316 54.840 0.100 0.000 0.831 593 L CB 1.571 43.702 42.059 0.120 0.000 1.232 593 L HN 0.309 nan 8.230 nan 0.000 0.413 594 L N 4.755 126.019 121.223 0.069 0.000 2.276 594 L HA 0.470 4.810 4.340 -0.001 0.000 0.286 594 L C 0.312 177.201 176.870 0.032 0.000 1.024 594 L CA -0.094 54.777 54.840 0.052 0.000 0.826 594 L CB 1.251 43.350 42.059 0.068 0.000 1.211 594 L HN 0.459 nan 8.230 nan 0.000 0.422 595 R N 0.674 121.183 120.500 0.016 0.000 2.637 595 R HA 0.567 4.907 4.340 -0.001 0.000 0.269 595 R C -0.074 176.228 176.300 0.004 0.000 1.089 595 R CA -0.540 55.558 56.100 -0.004 0.000 1.177 595 R CB 0.517 30.803 30.300 -0.023 0.000 1.091 595 R HN 0.624 nan 8.270 nan 0.000 0.540 596 T N 0.016 114.568 114.554 -0.004 0.000 2.743 596 T HA 0.321 4.671 4.350 -0.001 0.000 0.292 596 T C 0.152 174.853 174.700 0.002 0.000 0.972 596 T CA -1.118 60.980 62.100 -0.005 0.000 0.967 596 T CB 0.924 69.784 68.868 -0.012 0.000 0.926 596 T HN 0.225 nan 8.240 nan 0.000 0.459 597 R N 3.470 123.978 120.500 0.013 0.000 2.491 597 R HA 0.287 4.627 4.340 -0.001 0.000 0.283 597 R C -2.683 173.640 176.300 0.038 0.000 1.072 597 R CA -2.468 53.650 56.100 0.030 0.000 1.048 597 R CB -0.143 30.185 30.300 0.047 0.000 0.983 597 R HN 0.475 nan 8.270 nan 0.000 0.450 598 P HA -0.051 nan 4.420 nan 0.000 0.263 598 P C -0.313 177.042 177.300 0.091 0.000 1.195 598 P CA 0.064 63.192 63.100 0.048 0.000 0.762 598 P CB 0.453 32.170 31.700 0.028 0.000 0.799 599 V N 2.857 122.852 119.914 0.135 0.000 2.294 599 V HA 0.523 4.642 4.120 -0.001 0.000 0.272 599 V C -0.391 175.854 176.094 0.251 0.000 1.027 599 V CA -1.031 61.419 62.300 0.251 0.000 0.823 599 V CB 0.265 32.318 31.823 0.383 0.000 1.030 599 V HN 0.199 nan 8.190 nan 0.000 0.457 600 L N 3.604 124.925 121.223 0.162 0.000 2.334 600 L HA 1.023 5.363 4.340 -0.001 0.000 0.275 600 L C -0.393 176.603 176.870 0.210 0.000 1.036 600 L CA -1.076 53.767 54.840 0.005 0.000 0.807 600 L CB 0.953 42.970 42.059 -0.071 0.000 1.231 600 L HN 0.873 nan 8.230 nan 0.000 0.438 601 W N 1.249 122.584 121.300 0.059 0.000 2.882 601 W HA 0.890 5.549 4.660 -0.001 0.000 0.345 601 W C -1.611 174.924 176.519 0.028 0.000 1.125 601 W CA -1.460 55.930 57.345 0.074 0.000 1.167 601 W CB 1.145 30.654 29.460 0.080 0.000 1.431 601 W HN 0.543 nan 8.180 nan 0.000 0.543 602 V N 1.996 122.050 119.914 0.233 0.000 2.823 602 V HA 0.932 5.052 4.120 -0.001 0.000 0.312 602 V C -0.193 175.853 176.094 -0.080 0.000 1.072 602 V CA -0.597 61.682 62.300 -0.036 0.000 0.937 602 V CB 1.729 33.541 31.823 -0.018 0.000 1.013 602 V HN 1.079 nan 8.190 nan 0.000 0.430 603 G N 2.949 111.453 108.800 -0.493 0.000 2.410 603 G HA2 0.643 4.602 3.960 -0.001 0.000 0.330 603 G HA3 0.643 4.602 3.960 -0.001 0.000 0.330 603 G C -1.295 173.389 174.900 -0.360 0.000 1.142 603 G CA -0.392 44.411 45.100 -0.496 0.000 0.902 603 G HN 1.141 nan 8.290 nan 0.000 0.491 604 V N 0.745 120.528 119.914 -0.218 0.000 2.876 604 V HA 0.855 4.974 4.120 -0.001 0.000 0.312 604 V C -0.405 175.631 176.094 -0.096 0.000 1.085 604 V CA -0.428 61.776 62.300 -0.159 0.000 0.945 604 V CB 2.427 34.024 31.823 -0.377 0.000 1.017 604 V HN 1.283 nan 8.190 nan 0.000 0.428 605 S N 6.613 122.290 115.700 -0.038 0.000 2.532 605 S HA 0.820 5.289 4.470 -0.001 0.000 0.299 605 S C -0.922 173.637 174.600 -0.069 0.000 1.105 605 S CA -0.787 57.378 58.200 -0.058 0.000 1.018 605 S CB 1.658 64.822 63.200 -0.060 0.000 1.021 605 S HN 0.735 nan 8.310 nan 0.000 0.483 606 M N 2.522 122.073 119.600 -0.081 0.000 2.395 606 M HA 0.542 5.022 4.480 -0.001 0.000 0.307 606 M C -0.739 175.448 176.300 -0.188 0.000 1.091 606 M CA -0.297 54.925 55.300 -0.130 0.000 0.919 606 M CB 2.474 35.011 32.600 -0.105 0.000 1.662 606 M HN 0.923 nan 8.290 nan 0.000 0.440 607 Q N 1.658 121.272 119.800 -0.309 0.000 2.472 607 Q HA 0.525 4.865 4.340 -0.001 0.000 0.281 607 Q C -2.079 173.647 176.000 -0.456 0.000 0.997 607 Q CA -0.579 55.053 55.803 -0.285 0.000 0.828 607 Q CB 2.419 31.090 28.738 -0.111 0.000 1.443 607 Q HN 0.643 nan 8.270 nan 0.000 0.390 608 F N 3.354 123.323 119.950 0.031 0.000 2.325 608 F HA 0.387 4.914 4.527 -0.001 0.000 0.369 608 F C 1.138 176.942 175.800 0.007 0.000 1.095 608 F CA -0.551 57.462 58.000 0.022 0.000 1.082 608 F CB 0.590 39.593 39.000 0.004 0.000 1.289 608 F HN 0.628 nan 8.300 nan 0.000 0.462 609 I N 2.600 123.260 120.570 0.151 0.000 2.093 609 I HA -0.236 3.934 4.170 -0.001 0.000 0.239 609 I C -1.071 175.093 176.117 0.079 0.000 1.026 609 I CA 1.160 62.509 61.300 0.082 0.000 1.295 609 I CB -1.012 37.021 38.000 0.055 0.000 1.007 609 I HN 0.316 nan 8.210 nan 0.000 0.401 610 P HA 0.043 nan 4.420 nan 0.000 0.267 610 P C 0.283 177.614 177.300 0.052 0.000 1.328 610 P CA 0.327 63.452 63.100 0.042 0.000 0.990 610 P CB 0.790 32.496 31.700 0.010 0.000 1.168 611 A N 4.890 127.740 122.820 0.050 0.000 1.870 611 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 611 A C 1.123 178.714 177.584 0.011 0.000 1.286 611 A CA 1.870 53.942 52.037 0.059 0.000 0.682 611 A CB -0.822 18.202 19.000 0.039 0.000 0.844 611 A HN 0.611 nan 8.150 nan 0.000 0.460 612 E N -1.795 118.384 120.200 -0.035 0.000 2.754 612 E HA 0.702 5.052 4.350 -0.001 0.000 0.224 612 E C -0.863 175.644 176.600 -0.156 0.000 0.851 612 E CA -1.007 55.329 56.400 -0.107 0.000 1.047 612 E CB 0.700 30.368 29.700 -0.053 0.000 1.584 612 E HN 0.307 nan 8.360 nan 0.000 0.429 613 I N 1.145 121.602 120.570 -0.189 0.000 2.354 613 I HA 0.222 4.391 4.170 -0.001 0.000 0.292 613 I C -2.008 174.084 176.117 -0.041 0.000 0.989 613 I CA -2.405 58.808 61.300 -0.146 0.000 1.188 613 I CB 1.956 39.815 38.000 -0.234 0.000 1.342 613 I HN 0.365 nan 8.210 nan 0.000 0.457 614 P HA -0.011 nan 4.420 nan 0.000 0.242 614 P C 0.667 177.957 177.300 -0.018 0.000 1.197 614 P CA 0.304 63.392 63.100 -0.019 0.000 0.765 614 P CB 0.068 31.761 31.700 -0.011 0.000 0.936 615 R N -2.198 118.313 120.500 0.019 0.000 3.840 615 R HA -0.204 4.135 4.340 -0.001 0.000 0.464 615 R C 1.188 177.552 176.300 0.105 0.000 0.986 615 R CA 0.998 57.103 56.100 0.009 0.000 1.305 615 R CB -2.165 28.014 30.300 -0.201 0.000 1.950 615 R HN 0.105 nan 8.270 nan 0.000 0.526 616 S N -0.123 115.623 115.700 0.078 0.000 2.335 616 S HA -0.002 4.468 4.470 -0.001 0.000 0.216 616 S C 1.212 175.871 174.600 0.099 0.000 1.032 616 S CA 1.271 59.512 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 0.563 nan 8.310 nan 0.000 0.434 617 A N 0.411 123.290 122.820 0.099 0.000 3.197 617 A HA 0.481 4.801 4.320 -0.001 0.000 0.263 617 A C 0.509 178.177 177.584 0.141 0.000 1.524 617 A CA -0.440 51.650 52.037 0.088 0.000 1.176 617 A CB -0.719 18.307 19.000 0.044 0.000 1.096 617 A HN 0.442 nan 8.150 nan 0.000 0.655 618 F N -0.276 119.692 119.950 0.030 0.000 2.350 618 F HA 0.212 4.739 4.527 -0.001 0.000 0.253 618 F C 1.841 177.657 175.800 0.027 0.000 1.088 618 F CA 1.238 59.267 58.000 0.049 0.000 1.037 618 F CB 0.195 39.225 39.000 0.050 0.000 1.107 618 F HN 0.331 nan 8.300 nan 0.000 0.603 619 E N 0.104 120.450 120.200 0.243 0.000 2.318 619 E HA 0.062 4.411 4.350 -0.001 0.000 0.193 619 E C 0.752 177.370 176.600 0.030 0.000 0.998 619 E CA 0.653 57.088 56.400 0.059 0.000 0.859 619 E CB 0.204 30.070 29.700 0.275 0.000 0.812 619 E HN 0.615 nan 8.360 nan 0.000 0.492 620 c N -0.779 117.862 118.600 0.068 0.000 0.168 620 c HA -0.217 4.352 4.570 -0.001 0.000 0.017 620 c C -0.189 173.916 174.090 0.025 0.000 0.171 620 c CA -0.294 56.056 56.329 0.034 0.000 0.499 620 c CB -0.695 41.816 42.510 0.001 0.000 3.212 620 c HN 0.580 nan 8.230 nan 0.000 1.118 621 R N 0.036 120.544 120.500 0.014 0.000 2.741 621 R HA 0.530 4.870 4.340 -0.001 0.000 0.276 621 R C -1.019 175.285 176.300 0.006 0.000 1.028 621 R CA -0.271 55.836 56.100 0.012 0.000 0.865 621 R CB 1.006 31.317 30.300 0.018 0.000 1.268 621 R HN 0.879 nan 8.270 nan 0.000 0.475 622 E N 1.680 121.882 120.200 0.005 0.000 3.385 622 E HA 0.072 4.421 4.350 -0.001 0.000 0.206 622 E C -1.202 175.400 176.600 0.003 0.000 0.997 622 E CA -0.126 56.275 56.400 0.002 0.000 1.278 622 E CB 1.322 31.021 29.700 -0.001 0.000 1.165 622 E HN 0.400 nan 8.360 nan 0.000 0.452 623 Q N 0.317 120.120 119.800 0.005 0.000 2.331 623 Q HA 0.509 4.849 4.340 -0.001 0.000 0.267 623 Q C 0.507 176.510 176.000 0.005 0.000 1.006 623 Q CA -0.650 55.156 55.803 0.005 0.000 0.818 623 Q CB 1.625 30.366 28.738 0.005 0.000 1.276 623 Q HN 0.023 nan 8.270 nan 0.000 0.450 624 V N -0.819 119.098 119.914 0.004 0.000 0.691 624 V HA -0.274 3.845 4.120 -0.001 0.000 0.092 624 V C 0.265 176.362 176.094 0.005 0.000 0.769 624 V CA 0.505 62.808 62.300 0.005 0.000 3.097 624 V CB -2.326 29.500 31.823 0.006 0.000 0.181 624 V HN 1.417 nan 8.190 nan 0.000 0.065 625 V N -1.898 118.019 119.914 0.006 0.000 3.083 625 V HA 0.769 4.889 4.120 -0.001 0.000 0.306 625 V C 0.749 176.845 176.094 0.005 0.000 1.077 625 V CA 0.245 62.548 62.300 0.005 0.000 1.073 625 V CB 1.267 33.094 31.823 0.007 0.000 1.081 625 V HN 1.657 nan 8.190 nan 0.000 0.474 626 S N 2.239 117.941 115.700 0.003 0.000 2.429 626 S HA 0.175 4.645 4.470 -0.001 0.000 0.292 626 S C 0.095 174.699 174.600 0.006 0.000 1.183 626 S CA -0.046 58.156 58.200 0.003 0.000 1.088 626 S CB -0.689 62.511 63.200 0.000 0.000 1.018 626 S HN 0.834 nan 8.310 nan 0.000 0.511 627 E N 3.264 123.469 120.200 0.008 0.000 1.996 627 E HA 0.067 4.417 4.350 -0.001 0.000 0.280 627 E C -0.270 176.335 176.600 0.009 0.000 1.092 627 E CA -0.181 56.225 56.400 0.010 0.000 0.862 627 E CB 0.514 30.221 29.700 0.012 0.000 1.066 627 E HN 0.575 nan 8.360 nan 0.000 0.396 628 Q N 2.147 121.951 119.800 0.007 0.000 2.323 628 Q HA 0.100 4.439 4.340 -0.001 0.000 0.257 628 Q C -0.117 175.886 176.000 0.004 0.000 1.022 628 Q CA -0.039 55.766 55.803 0.003 0.000 0.919 628 Q CB 0.834 29.573 28.738 0.002 0.000 1.220 628 Q HN 0.363 nan 8.270 nan 0.000 0.427 629 T N 2.393 116.948 114.554 0.002 0.000 2.939 629 T HA 0.024 4.373 4.350 -0.001 0.000 0.319 629 T C -0.300 174.397 174.700 -0.004 0.000 1.082 629 T CA 0.094 62.194 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 0.292 nan 8.240 nan 0.000 0.548 630 L N 5.669 126.893 121.223 0.003 0.000 2.301 630 L HA 0.497 4.837 4.340 -0.001 0.000 0.278 630 L C -0.648 176.230 176.870 0.015 0.000 1.022 630 L CA -0.322 54.526 54.840 0.013 0.000 0.854 630 L CB 0.682 42.755 42.059 0.024 0.000 1.226 630 L HN 0.386 nan 8.230 nan 0.000 0.429 631 V N 4.576 124.496 119.914 0.010 0.000 2.567 631 V HA 0.404 4.523 4.120 -0.001 0.000 0.289 631 V C 0.129 176.281 176.094 0.095 0.000 1.049 631 V CA -0.534 61.782 62.300 0.026 0.000 0.969 631 V CB 1.525 33.328 31.823 -0.034 0.000 0.995 631 V HN 0.684 nan 8.190 nan 0.000 0.471 632 Q N 1.728 121.605 119.800 0.128 0.000 2.312 632 Q HA 0.528 4.867 4.340 -0.001 0.000 0.263 632 Q C -0.718 175.428 176.000 0.244 0.000 0.995 632 Q CA -0.275 55.625 55.803 0.162 0.000 0.853 632 Q CB 2.104 30.899 28.738 0.095 0.000 1.300 632 Q HN 0.720 nan 8.270 nan 0.000 0.448 633 S N 2.681 118.541 115.700 0.266 0.000 2.707 633 S HA 0.304 4.774 4.470 -0.001 0.000 0.312 633 S C -1.115 173.557 174.600 0.121 0.000 1.116 633 S CA -0.702 57.615 58.200 0.195 0.000 1.078 633 S CB 0.562 63.958 63.200 0.328 0.000 0.997 633 S HN 0.591 nan 8.310 nan 0.000 0.477 634 N N 5.286 123.979 118.700 -0.011 0.000 2.425 634 N HA 0.469 5.208 4.740 -0.001 0.000 0.268 634 N C -1.023 174.464 175.510 -0.038 0.000 0.991 634 N CA -0.329 52.706 53.050 -0.024 0.000 0.931 634 N CB 0.630 39.081 38.487 -0.059 0.000 1.130 634 N HN 0.672 nan 8.380 nan 0.000 0.493 635 I N 1.888 122.479 120.570 0.034 0.000 2.603 635 I HA 0.464 4.634 4.170 -0.001 0.000 0.300 635 I C -0.343 175.793 176.117 0.031 0.000 1.017 635 I CA -0.811 60.511 61.300 0.036 0.000 1.098 635 I CB 1.860 39.927 38.000 0.111 0.000 1.279 635 I HN 0.323 nan 8.210 nan 0.000 0.437 636 c N 5.528 124.136 118.600 0.012 0.000 2.712 636 c HA 0.718 5.288 4.570 -0.001 0.000 0.308 636 c C -0.436 173.701 174.090 0.077 0.000 1.201 636 c CA -0.791 55.555 56.329 0.029 0.000 1.554 636 c CB 1.617 44.106 42.510 -0.035 0.000 2.117 636 c HN 0.561 nan 8.230 nan 0.000 0.480 637 L N 3.014 124.316 121.223 0.131 0.000 2.438 637 L HA 0.624 4.964 4.340 -0.001 0.000 0.270 637 L C -1.137 175.851 176.870 0.196 0.000 0.972 637 L CA -0.482 54.422 54.840 0.107 0.000 0.831 637 L CB 1.316 43.353 42.059 -0.036 0.000 1.273 637 L HN 0.886 nan 8.230 nan 0.000 0.405 638 Y N 2.688 122.954 120.300 -0.057 0.000 2.479 638 Y HA 0.788 5.338 4.550 -0.000 0.000 0.338 638 Y C -0.897 174.977 175.900 -0.043 0.000 1.055 638 Y CA -1.368 56.709 58.100 -0.038 0.000 1.023 638 Y CB 1.308 39.747 38.460 -0.035 0.000 1.287 638 Y HN 0.410 nan 8.280 nan 0.000 0.447 639 I N 1.477 121.964 120.570 -0.138 0.000 2.412 639 I HA 0.525 4.695 4.170 -0.001 0.000 0.296 639 I C -0.561 175.446 176.117 -0.184 0.000 0.987 639 I CA -0.585 60.573 61.300 -0.238 0.000 1.180 639 I CB 2.104 40.008 38.000 -0.160 0.000 1.340 639 I HN 0.899 nan 8.210 nan 0.000 0.455 640 D N 3.651 123.894 120.400 -0.262 0.000 2.403 640 D HA 0.018 4.658 4.640 -0.001 0.000 0.280 640 D C 0.356 176.541 176.300 -0.192 0.000 1.091 640 D CA 0.001 53.913 54.000 -0.146 0.000 0.884 640 D CB 0.444 41.201 40.800 -0.072 0.000 1.427 640 D HN 0.514 nan 8.370 nan 0.000 0.504 641 K N 1.331 121.501 120.400 -0.384 0.000 2.268 641 K HA 0.261 4.580 4.320 -0.001 0.000 0.276 641 K C 0.909 177.222 176.600 -0.478 0.000 1.080 641 K CA -0.388 55.644 56.287 -0.425 0.000 0.910 641 K CB 0.776 32.917 32.500 -0.599 0.000 1.163 641 K HN 0.056 nan 8.250 nan 0.000 0.465 642 R N 1.821 122.174 120.500 -0.245 0.000 2.539 642 R HA 0.016 4.355 4.340 -0.001 0.000 0.342 642 R C 0.754 176.993 176.300 -0.102 0.000 0.941 642 R CA 0.575 56.568 56.100 -0.178 0.000 1.146 642 R CB -0.095 30.129 30.300 -0.127 0.000 1.541 642 R HN 0.509 nan 8.270 nan 0.000 0.525 643 S N 2.746 118.403 115.700 -0.073 0.000 2.365 643 S HA -0.298 4.172 4.470 -0.001 0.000 0.225 643 S C 1.917 176.505 174.600 -0.022 0.000 1.039 643 S CA 1.615 59.796 58.200 -0.031 0.000 1.033 643 S CB -0.353 62.844 63.200 -0.004 0.000 0.887 643 S HN 0.624 nan 8.310 nan 0.000 0.447 644 K N 1.796 122.185 120.400 -0.018 0.000 2.001 644 K HA -0.021 4.299 4.320 -0.001 0.000 0.208 644 K C 1.650 178.240 176.600 -0.017 0.000 1.048 644 K CA 1.456 57.740 56.287 -0.006 0.000 0.932 644 K CB -0.620 31.887 32.500 0.011 0.000 0.715 644 K HN 0.252 nan 8.250 nan 0.000 0.437 645 N N 1.142 119.824 118.700 -0.030 0.000 2.396 645 N HA 0.064 4.804 4.740 -0.001 0.000 0.180 645 N C 0.412 175.904 175.510 -0.029 0.000 1.028 645 N CA 0.707 53.739 53.050 -0.030 0.000 0.893 645 N CB -0.440 38.023 38.487 -0.040 0.000 0.967 645 N HN 0.227 nan 8.380 nan 0.000 0.440 646 L N -1.043 120.161 121.223 -0.032 0.000 0.598 646 L HA -0.280 4.059 4.340 -0.001 0.000 0.356 646 L C 0.189 177.043 176.870 -0.027 0.000 1.008 646 L CA -0.138 54.687 54.840 -0.026 0.000 1.223 646 L CB -0.558 41.490 42.059 -0.018 0.000 0.045 646 L HN 0.063 nan 8.230 nan 0.000 0.093 647 L N 0.146 121.356 121.223 -0.022 0.000 2.456 647 L HA 0.444 4.784 4.340 -0.001 0.000 0.266 647 L C 1.223 178.082 176.870 -0.019 0.000 1.258 647 L CA 1.047 55.874 54.840 -0.020 0.000 0.823 647 L CB -0.137 41.913 42.059 -0.015 0.000 1.100 647 L HN 0.951 nan 8.230 nan 0.000 0.531 648 G N -0.036 108.754 108.800 -0.017 0.000 2.757 648 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.638 648 G HA3 -0.197 3.762 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 -0.016 0.000 0.855 648 G HN 0.680 nan 8.290 nan 0.000 0.537 649 S N -0.051 115.638 115.700 -0.018 0.000 2.574 649 S HA 0.136 4.606 4.470 -0.001 0.000 0.302 649 S C 1.535 176.121 174.600 -0.023 0.000 1.270 649 S CA 1.839 60.027 58.200 -0.021 0.000 1.040 649 S CB 0.567 63.754 63.200 -0.022 0.000 0.767 649 S HN 1.871 nan 8.310 nan 0.000 0.494 650 R N 1.251 121.735 120.500 -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 1.722 57.807 56.100 -0.025 0.000 1.983 650 R CB -1.816 28.472 30.300 -0.021 0.000 0.180 650 R HN 0.665 nan 8.270 nan 0.000 0.729 651 D N 0.139 120.522 120.400 -0.028 0.000 2.265 651 D HA -0.055 4.585 4.640 -0.001 0.000 0.208 651 D C 1.323 177.602 176.300 -0.035 0.000 0.977 651 D CA 1.592 55.570 54.000 -0.037 0.000 0.871 651 D CB 0.144 40.921 40.800 -0.039 0.000 0.925 651 D HN 0.280 nan 8.370 nan 0.000 0.485 652 L N -0.176 121.031 121.223 -0.026 0.000 2.814 652 L HA 0.225 4.565 4.340 -0.001 0.000 0.183 652 L C 0.881 177.740 176.870 -0.019 0.000 1.362 652 L CA 0.138 54.966 54.840 -0.020 0.000 1.674 652 L CB -1.272 40.778 42.059 -0.015 0.000 1.673 652 L HN -0.083 nan 8.230 nan 0.000 0.869 653 Q N 1.306 121.094 119.800 -0.020 0.000 2.308 653 Q HA 0.123 4.463 4.340 -0.001 0.000 0.313 653 Q C -1.070 174.917 176.000 -0.022 0.000 1.075 653 Q CA 0.433 56.223 55.803 -0.022 0.000 0.995 653 Q CB 0.209 28.931 28.738 -0.026 0.000 1.107 653 Q HN 0.561 nan 8.270 nan 0.000 0.380 654 S N 1.867 117.554 115.700 -0.021 0.000 2.537 654 S HA 0.503 4.973 4.470 -0.001 0.000 0.271 654 S C -1.066 173.522 174.600 -0.021 0.000 1.148 654 S CA -1.035 57.156 58.200 -0.016 0.000 0.868 654 S CB 1.934 65.133 63.200 -0.002 0.000 1.115 654 S HN 0.436 nan 8.310 nan 0.000 0.461 655 S N 0.741 116.431 115.700 -0.016 0.000 2.617 655 S HA 0.857 5.327 4.470 -0.001 0.000 0.283 655 S C -0.623 173.979 174.600 0.002 0.000 1.189 655 S CA -0.595 57.594 58.200 -0.018 0.000 1.036 655 S CB 1.272 64.462 63.200 -0.017 0.000 1.014 655 S HN 0.751 nan 8.310 nan 0.000 0.522 656 V N 1.578 121.494 119.914 0.003 0.000 2.971 656 V HA 0.514 4.634 4.120 -0.001 0.000 0.309 656 V C -0.386 175.731 176.094 0.038 0.000 1.130 656 V CA -1.007 61.318 62.300 0.043 0.000 0.964 656 V CB 2.518 34.390 31.823 0.080 0.000 1.029 656 V HN 1.006 nan 8.190 nan 0.000 0.427 657 T N 2.383 116.970 114.554 0.055 0.000 2.767 657 T HA 0.797 5.147 4.350 -0.001 0.000 0.288 657 T C -0.677 174.069 174.700 0.077 0.000 0.963 657 T CA -0.468 61.658 62.100 0.044 0.000 1.019 657 T CB 0.795 69.678 68.868 0.024 0.000 0.923 657 T HN 0.369 nan 8.240 nan 0.000 0.468 658 L N 2.772 124.027 121.223 0.053 0.000 2.325 658 L HA 0.583 4.923 4.340 -0.001 0.000 0.278 658 L C -0.505 176.367 176.870 0.003 0.000 1.023 658 L CA -0.838 54.038 54.840 0.059 0.000 0.811 658 L CB 1.448 43.528 42.059 0.034 0.000 1.249 658 L HN 0.658 nan 8.230 nan 0.000 0.431 659 D N 4.022 124.441 120.400 0.031 0.000 2.346 659 D HA 0.361 5.000 4.640 -0.001 0.000 0.255 659 D C -0.649 175.672 176.300 0.034 0.000 1.276 659 D CA -0.190 53.815 54.000 0.009 0.000 0.941 659 D CB 1.350 42.182 40.800 0.052 0.000 1.199 659 D HN 0.205 nan 8.370 nan 0.000 0.537 660 L N 0.854 122.037 121.223 -0.067 0.000 2.350 660 L HA 0.803 5.143 4.340 -0.001 0.000 0.275 660 L C 0.401 177.382 176.870 0.184 0.000 1.099 660 L CA -0.711 54.148 54.840 0.032 0.000 0.808 660 L CB 1.194 43.168 42.059 -0.142 0.000 1.149 660 L HN 0.260 nan 8.230 nan 0.000 0.442 661 A N 3.730 126.705 122.820 0.258 0.000 2.488 661 A HA 0.755 5.075 4.320 -0.001 0.000 0.295 661 A C -1.216 176.473 177.584 0.175 0.000 1.045 661 A CA -0.502 51.672 52.037 0.229 0.000 0.703 661 A CB 1.311 20.392 19.000 0.135 0.000 1.271 661 A HN 0.481 nan 8.150 nan 0.000 0.400 662 L N 1.248 122.535 121.223 0.105 0.000 2.334 662 L HA 0.552 4.891 4.340 -0.001 0.000 0.275 662 L C -0.092 176.792 176.870 0.024 0.000 1.036 662 L CA -0.174 54.688 54.840 0.038 0.000 0.807 662 L CB 0.890 42.902 42.059 -0.078 0.000 1.231 662 L HN 0.697 nan 8.230 nan 0.000 0.438 663 D N 1.537 121.955 120.400 0.029 0.000 2.810 663 D HA -0.175 4.464 4.640 -0.001 0.000 0.224 663 D C -1.767 174.540 176.300 0.012 0.000 1.222 663 D CA 0.327 54.339 54.000 0.020 0.000 0.698 663 D CB -0.421 40.383 40.800 0.007 0.000 0.961 663 D HN 0.406 nan 8.370 nan 0.000 0.403 664 P HA -0.073 nan 4.420 nan 0.000 0.215 664 P C 1.698 178.991 177.300 -0.013 0.000 1.157 664 P CA 1.560 64.662 63.100 0.003 0.000 0.863 664 P CB 0.117 31.812 31.700 -0.008 0.000 0.787 665 G N 0.128 108.917 108.800 -0.019 0.000 2.498 665 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 665 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 665 G C 0.648 175.534 174.900 -0.023 0.000 1.119 665 G CA 0.076 45.160 45.100 -0.027 0.000 0.766 665 G HN 0.331 nan 8.290 nan 0.000 0.552 666 R N -0.337 120.153 120.500 -0.017 0.000 2.604 666 R HA 0.482 4.822 4.340 -0.001 0.000 0.287 666 R C -0.326 175.964 176.300 -0.017 0.000 0.970 666 R CA -0.938 55.151 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 2.041 123.253 121.223 -0.018 0.000 2.862 667 L HA 0.115 4.454 4.340 -0.001 0.000 0.240 667 L C -0.107 176.752 176.870 -0.017 0.000 1.283 667 L CA -0.007 54.823 54.840 -0.016 0.000 1.117 667 L CB 0.027 42.076 42.059 -0.016 0.000 1.444 667 L HN 0.780 nan 8.230 nan 0.000 0.456 668 S N -1.646 114.043 115.700 -0.020 0.000 2.293 668 S HA 0.385 4.855 4.470 -0.001 0.000 0.154 668 S C -2.598 171.988 174.600 -0.023 0.000 1.602 668 S CA -1.315 56.871 58.200 -0.024 0.000 1.260 668 S CB 0.632 63.814 63.200 -0.031 0.000 1.270 668 S HN -0.097 nan 8.310 nan 0.000 0.416 669 P HA 0.166 nan 4.420 nan 0.000 0.258 669 P C 0.473 177.756 177.300 -0.029 0.000 1.187 669 P CA 0.022 63.109 63.100 -0.022 0.000 0.767 669 P CB 0.372 32.061 31.700 -0.019 0.000 0.770 670 R N 2.449 122.933 120.500 -0.028 0.000 2.313 670 R HA 0.364 4.704 4.340 -0.001 0.000 0.199 670 R C 0.342 176.618 176.300 -0.041 0.000 0.958 670 R CA 0.466 56.553 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 -2.087 120.689 122.820 -0.073 0.000 2.428 671 A HA 0.531 4.851 4.320 -0.001 0.000 0.304 671 A C -1.252 176.245 177.584 -0.145 0.000 1.085 671 A CA -0.272 51.699 52.037 -0.111 0.000 0.605 671 A CB 0.655 19.564 19.000 -0.153 0.000 1.393 671 A HN 0.169 nan 8.150 nan 0.000 0.541 672 T N -2.142 112.298 114.554 -0.189 0.000 2.885 672 T HA 0.672 5.022 4.350 -0.001 0.000 0.322 672 T C -0.853 173.710 174.700 -0.229 0.000 1.387 672 T CA -0.542 61.449 62.100 -0.182 0.000 1.041 672 T CB 0.617 69.463 68.868 -0.038 0.000 1.287 672 T HN 0.783 nan 8.240 nan 0.000 0.491 673 F N 1.347 121.317 119.950 0.034 0.000 2.382 673 F HA 0.443 4.970 4.527 -0.001 0.000 0.331 673 F C 2.136 177.968 175.800 0.054 0.000 1.121 673 F CA -0.575 57.456 58.000 0.051 0.000 1.183 673 F CB 1.145 40.159 39.000 0.024 0.000 1.207 673 F HN 0.771 nan 8.300 nan 0.000 0.555 674 Q N 0.833 120.792 119.800 0.265 0.000 2.123 674 Q HA -0.148 4.191 4.340 -0.001 0.000 0.196 674 Q C 1.877 177.969 176.000 0.155 0.000 0.958 674 Q CA 1.113 57.015 55.803 0.165 0.000 0.841 674 Q CB 0.031 28.850 28.738 0.136 0.000 0.915 674 Q HN 0.765 nan 8.270 nan 0.000 0.455 675 E N -0.347 119.964 120.200 0.184 0.000 2.130 675 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 675 E C 1.485 178.146 176.600 0.102 0.000 0.998 675 E CA 1.953 58.434 56.400 0.136 0.000 0.806 675 E CB -0.165 29.626 29.700 0.151 0.000 0.738 675 E HN 0.302 nan 8.360 nan 0.000 0.459 676 T N -2.370 112.254 114.554 0.117 0.000 2.955 676 T HA 0.161 4.511 4.350 -0.001 0.000 0.251 676 T C 0.810 175.566 174.700 0.094 0.000 1.002 676 T CA 0.684 62.837 62.100 0.087 0.000 0.970 676 T CB -0.137 68.771 68.868 0.067 0.000 1.091 676 T HN 0.279 nan 8.240 nan 0.000 0.495 677 K N -0.104 120.368 120.400 0.120 0.000 3.609 677 K HA -0.150 4.170 4.320 -0.001 0.000 0.277 677 K C -0.343 176.309 176.600 0.086 0.000 1.196 677 K CA 0.900 57.242 56.287 0.091 0.000 1.022 677 K CB -1.377 31.160 32.500 0.062 0.000 1.292 677 K HN 0.347 nan 8.250 nan 0.000 0.484 678 N N 0.257 119.025 118.700 0.113 0.000 2.347 678 N HA 0.109 4.848 4.740 -0.001 0.000 0.253 678 N C 0.853 176.439 175.510 0.128 0.000 1.274 678 N CA 0.363 53.475 53.050 0.104 0.000 0.941 678 N CB 0.515 39.062 38.487 0.101 0.000 1.200 678 N HN 0.282 nan 8.380 nan 0.000 0.514 679 R N -1.344 119.210 120.500 0.090 0.000 2.323 679 R HA 0.199 4.539 4.340 -0.001 0.000 0.198 679 R C -0.163 176.236 176.300 0.166 0.000 0.988 679 R CA 0.207 56.339 56.100 0.053 0.000 1.041 679 R CB -0.401 29.912 30.300 0.023 0.000 0.926 679 R HN 0.427 nan 8.270 nan 0.000 0.476 680 S N -0.593 115.286 115.700 0.297 0.000 2.671 680 S HA 0.752 5.222 4.470 -0.001 0.000 0.277 680 S C -1.057 173.661 174.600 0.197 0.000 1.165 680 S CA -0.766 57.663 58.200 0.383 0.000 0.822 680 S CB 1.640 64.947 63.200 0.179 0.000 1.150 680 S HN 0.336 nan 8.310 nan 0.000 0.479 681 L N -2.041 119.105 121.223 -0.129 0.000 2.671 681 L HA 0.986 5.326 4.340 -0.001 0.000 0.259 681 L C -0.948 175.757 176.870 -0.276 0.000 1.021 681 L CA -0.440 54.235 54.840 -0.274 0.000 0.871 681 L CB 1.475 43.209 42.059 -0.542 0.000 1.472 681 L HN 0.896 nan 8.230 nan 0.000 0.410 682 S N 0.436 116.027 115.700 -0.182 0.000 2.541 682 S HA 0.883 5.353 4.470 -0.001 0.000 0.280 682 S C -1.301 173.249 174.600 -0.083 0.000 1.112 682 S CA -0.650 57.475 58.200 -0.124 0.000 0.925 682 S CB 1.335 64.502 63.200 -0.054 0.000 1.067 682 S HN 0.840 nan 8.310 nan 0.000 0.479 683 R N 2.256 122.725 120.500 -0.052 0.000 2.566 683 R HA 0.412 4.751 4.340 -0.001 0.000 0.271 683 R C -1.719 174.592 176.300 0.019 0.000 1.071 683 R CA -0.771 55.332 56.100 0.005 0.000 0.915 683 R CB 1.982 32.318 30.300 0.060 0.000 1.228 683 R HN 0.454 nan 8.270 nan 0.000 0.449 684 V N 4.297 124.220 119.914 0.016 0.000 2.385 684 V HA 0.436 4.555 4.120 -0.001 0.000 0.269 684 V C 0.226 176.316 176.094 -0.007 0.000 1.043 684 V CA -0.266 62.037 62.300 0.006 0.000 0.906 684 V CB 0.808 32.633 31.823 0.003 0.000 0.995 684 V HN 0.584 nan 8.190 nan 0.000 0.467 685 R N 3.052 123.527 120.500 -0.043 0.000 2.837 685 R HA 0.635 4.975 4.340 -0.001 0.000 0.271 685 R C -1.176 175.012 176.300 -0.186 0.000 0.993 685 R CA -0.941 55.088 56.100 -0.118 0.000 0.931 685 R CB 2.570 32.763 30.300 -0.178 0.000 1.206 685 R HN 0.448 nan 8.270 nan 0.000 0.474 686 V N 4.046 123.838 119.914 -0.202 0.000 2.488 686 V HA 0.291 4.411 4.120 -0.001 0.000 0.277 686 V C -0.075 175.902 176.094 -0.194 0.000 1.046 686 V CA -0.173 62.040 62.300 -0.144 0.000 0.986 686 V CB 0.482 32.266 31.823 -0.066 0.000 0.989 686 V HN 0.507 nan 8.190 nan 0.000 0.475 687 L N 6.311 127.467 121.223 -0.111 0.000 2.416 687 L HA 0.924 5.264 4.340 -0.001 0.000 0.263 687 L C 0.695 177.558 176.870 -0.012 0.000 1.065 687 L CA -0.000 54.802 54.840 -0.062 0.000 0.798 687 L CB 1.700 43.738 42.059 -0.036 0.000 1.267 687 L HN 0.809 nan 8.230 nan 0.000 0.467 688 G N -0.659 108.152 108.800 0.017 0.000 2.600 688 G HA2 0.379 4.338 3.960 -0.001 0.000 0.293 688 G HA3 0.379 4.338 3.960 -0.001 0.000 0.293 688 G C -0.219 174.697 174.900 0.025 0.000 1.408 688 G CA -0.579 44.532 45.100 0.018 0.000 0.782 688 G HN 0.513 nan 8.290 nan 0.000 0.482 689 L N -1.512 119.719 121.223 0.014 0.000 2.275 689 L HA 0.390 4.730 4.340 -0.001 0.000 0.215 689 L C 1.088 177.996 176.870 0.063 0.000 1.119 689 L CA 1.059 55.911 54.840 0.020 0.000 0.790 689 L CB -0.573 41.484 42.059 -0.003 0.000 0.919 689 L HN 0.220 nan 8.230 nan 0.000 0.443 690 K N 1.885 122.317 120.400 0.054 0.000 2.201 690 K HA 0.634 4.954 4.320 -0.001 0.000 0.278 690 K C 0.181 176.829 176.600 0.080 0.000 1.027 690 K CA 0.000 56.319 56.287 0.053 0.000 0.909 690 K CB 0.975 33.490 32.500 0.026 0.000 1.062 690 K HN 0.297 nan 8.250 nan 0.000 0.465 691 A N 3.403 126.265 122.820 0.068 0.000 2.614 691 A HA 0.003 4.323 4.320 -0.001 0.000 0.231 691 A C -0.602 177.044 177.584 0.102 0.000 1.076 691 A CA 0.611 52.697 52.037 0.081 0.000 0.767 691 A CB -0.278 18.686 19.000 -0.060 0.000 1.012 691 A HN 0.910 nan 8.150 nan 0.000 0.512 692 H N -0.499 118.578 119.070 0.012 0.000 3.092 692 H HA 0.472 5.027 4.556 -0.000 0.000 0.308 692 H C -1.294 174.021 175.328 -0.021 0.000 1.047 692 H CA -0.588 55.455 56.048 -0.008 0.000 1.466 692 H CB 0.623 30.386 29.762 0.002 0.000 1.597 692 H HN 0.658 nan 8.280 nan 0.000 0.512 693 c N 4.223 122.628 118.600 -0.325 0.000 2.295 693 c HA 0.469 5.039 4.570 -0.001 0.000 0.331 693 c C -0.018 173.863 174.090 -0.349 0.000 1.280 693 c CA -0.551 55.638 56.329 -0.234 0.000 1.746 693 c CB 0.039 42.450 42.510 -0.165 0.000 2.328 693 c HN 0.869 nan 8.230 nan 0.000 0.521 694 E N 2.869 122.922 120.200 -0.246 0.000 2.275 694 E HA 0.411 4.761 4.350 -0.001 0.000 0.270 694 E C -1.202 175.151 176.600 -0.412 0.000 0.882 694 E CA -0.382 55.803 56.400 -0.358 0.000 0.758 694 E CB 1.090 30.568 29.700 -0.371 0.000 1.195 694 E HN 0.832 nan 8.360 nan 0.000 0.419 695 N N 3.029 121.478 118.700 -0.418 0.000 2.430 695 N HA 0.414 5.154 4.740 -0.001 0.000 0.292 695 N C -1.329 173.933 175.510 -0.414 0.000 1.051 695 N CA -0.323 52.559 53.050 -0.280 0.000 0.917 695 N CB 0.659 39.078 38.487 -0.114 0.000 1.164 695 N HN 0.182 nan 8.380 nan 0.000 0.484 696 F N -0.263 119.745 119.950 0.097 0.000 2.556 696 F HA 0.457 4.984 4.527 -0.001 0.000 0.327 696 F C 0.410 176.324 175.800 0.191 0.000 1.059 696 F CA -1.067 57.022 58.000 0.148 0.000 0.953 696 F CB 1.344 40.461 39.000 0.194 0.000 1.227 696 F HN 0.263 nan 8.300 nan 0.000 0.478 697 N N 1.840 120.775 118.700 0.392 0.000 2.455 697 N HA 0.536 5.276 4.740 -0.001 0.000 0.280 697 N C -1.286 174.380 175.510 0.260 0.000 1.055 697 N CA -0.328 52.877 53.050 0.257 0.000 0.961 697 N CB 1.437 40.030 38.487 0.177 0.000 1.121 697 N HN 0.310 nan 8.380 nan 0.000 0.476 698 L N 1.848 123.156 121.223 0.140 0.000 2.362 698 L HA 0.543 4.883 4.340 -0.001 0.000 0.271 698 L C -0.682 176.185 176.870 -0.005 0.000 1.002 698 L CA -0.605 54.243 54.840 0.015 0.000 0.818 698 L CB 1.529 43.570 42.059 -0.029 0.000 1.298 698 L HN 0.269 nan 8.230 nan 0.000 0.420 699 L N 3.692 124.890 121.223 -0.042 0.000 2.345 699 L HA 0.496 4.835 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 0.005 54.830 54.840 -0.025 0.000 0.849 699 L CB 1.246 43.301 42.059 -0.005 0.000 1.220 699 L HN 0.377 nan 8.230 nan 0.000 0.422 700 L N 6.114 127.312 121.223 -0.042 0.000 2.265 700 L HA 0.439 4.779 4.340 -0.001 0.000 0.288 700 L C -1.859 174.998 176.870 -0.021 0.000 1.058 700 L CA -1.779 53.037 54.840 -0.040 0.000 0.809 700 L CB 1.051 43.081 42.059 -0.049 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 0.675 177.965 177.300 -0.016 0.000 1.204 701 P CA -0.176 62.913 63.100 -0.019 0.000 0.768 701 P CB 1.024 32.709 31.700 -0.025 0.000 0.842 702 S N 2.101 117.795 115.700 -0.010 0.000 2.380 702 S HA -0.160 4.310 4.470 -0.001 0.000 0.229 702 S C 0.758 175.345 174.600 -0.022 0.000 1.043 702 S CA 0.828 59.026 58.200 -0.003 0.000 1.038 702 S CB -1.126 62.076 63.200 0.003 0.000 0.872 702 S HN 0.574 nan 8.310 nan 0.000 0.456 703 c N 1.980 120.556 118.600 -0.040 0.000 2.319 703 c HA 0.897 5.467 4.570 -0.001 0.000 0.335 703 c C -0.013 174.018 174.090 -0.098 0.000 1.274 703 c CA -0.900 55.385 56.329 -0.073 0.000 1.806 703 c CB 0.521 42.999 42.510 -0.055 0.000 2.329 703 c HN 0.403 nan 8.230 nan 0.000 0.524 704 V N 2.755 122.570 119.914 -0.165 0.000 3.048 704 V HA 0.280 4.399 4.120 -0.001 0.000 0.303 704 V C 0.252 176.205 176.094 -0.235 0.000 1.214 704 V CA -0.444 61.753 62.300 -0.172 0.000 0.984 704 V CB 1.865 33.596 31.823 -0.153 0.000 1.054 704 V HN 0.945 nan 8.190 nan 0.000 0.430 705 E N 0.818 120.909 120.200 -0.181 0.000 2.012 705 E HA -0.054 4.295 4.350 -0.001 0.000 0.192 705 E C 0.170 176.631 176.600 -0.231 0.000 0.977 705 E CA 0.672 56.966 56.400 -0.178 0.000 0.832 705 E CB 0.097 29.725 29.700 -0.120 0.000 0.790 705 E HN 0.769 nan 8.360 nan 0.000 0.466 706 D N -0.184 120.088 120.400 -0.214 0.000 2.383 706 D HA 0.005 4.645 4.640 -0.001 0.000 0.252 706 D C 0.231 176.260 176.300 -0.452 0.000 1.166 706 D CA 0.181 54.026 54.000 -0.260 0.000 0.879 706 D CB 1.075 41.762 40.800 -0.188 0.000 1.164 706 D HN 0.105 nan 8.370 nan 0.000 0.462 707 S N 1.529 116.888 115.700 -0.568 0.000 2.631 707 S HA -0.043 4.427 4.470 -0.001 0.000 0.246 707 S C 1.948 175.956 174.600 -0.986 0.000 1.068 707 S CA 0.419 57.968 58.200 -1.086 0.000 0.995 707 S CB -0.514 62.375 63.200 -0.518 0.000 0.944 707 S HN 0.310 nan 8.310 nan 0.000 0.529 708 V N 2.393 122.018 119.914 -0.481 0.000 2.287 708 V HA 0.007 4.127 4.120 -0.001 0.000 0.248 708 V C 1.458 177.415 176.094 -0.228 0.000 1.053 708 V CA 1.714 63.806 62.300 -0.347 0.000 1.027 708 V CB -2.311 29.367 31.823 -0.241 0.000 0.646 708 V HN 0.726 nan 8.190 nan 0.000 0.447 709 T N -0.450 113.980 114.554 -0.208 0.000 2.738 709 T HA 0.471 4.821 4.350 -0.001 0.000 0.294 709 T C -2.259 172.454 174.700 0.020 0.000 0.914 709 T CA -1.737 60.325 62.100 -0.063 0.000 1.052 709 T CB 0.428 69.271 68.868 -0.042 0.000 0.897 709 T HN 0.369 nan 8.240 nan 0.000 0.522 710 P HA 0.041 nan 4.420 nan 0.000 0.268 710 P C 0.369 177.816 177.300 0.246 0.000 1.189 710 P CA -0.232 63.074 63.100 0.343 0.000 0.771 710 P CB 0.236 32.048 31.700 0.186 0.000 0.822 711 I N -1.160 119.535 120.570 0.209 0.000 2.371 711 I HA 0.339 4.509 4.170 -0.001 0.000 0.290 711 I C 0.472 176.613 176.117 0.039 0.000 1.028 711 I CA -0.598 60.751 61.300 0.082 0.000 1.345 711 I CB 0.765 38.769 38.000 0.007 0.000 1.407 711 I HN 0.228 nan 8.210 nan 0.000 0.501 712 T N 4.925 119.529 114.554 0.084 0.000 2.909 712 T HA 0.574 4.923 4.350 -0.001 0.000 0.289 712 T C -0.477 174.326 174.700 0.172 0.000 1.005 712 T CA -0.762 61.420 62.100 0.137 0.000 1.084 712 T CB 1.939 70.874 68.868 0.112 0.000 0.975 712 T HN 0.705 nan 8.240 nan 0.000 0.509 713 L N 2.816 124.197 121.223 0.264 0.000 2.504 713 L HA 0.601 4.941 4.340 -0.001 0.000 0.265 713 L C -0.685 176.333 176.870 0.247 0.000 0.975 713 L CA -0.952 54.056 54.840 0.280 0.000 0.864 713 L CB 1.345 43.650 42.059 0.410 0.000 1.212 713 L HN 0.970 nan 8.230 nan 0.000 0.416 714 R N 3.779 124.408 120.500 0.215 0.000 2.787 714 R HA 0.842 5.182 4.340 -0.001 0.000 0.271 714 R C -1.548 174.896 176.300 0.240 0.000 0.993 714 R CA -0.727 55.509 56.100 0.227 0.000 0.993 714 R CB 1.430 31.842 30.300 0.186 0.000 1.155 714 R HN 0.406 nan 8.270 nan 0.000 0.486 715 L N -0.364 121.031 121.223 0.286 0.000 2.365 715 L HA 0.618 4.958 4.340 -0.001 0.000 0.273 715 L C -0.892 176.175 176.870 0.328 0.000 1.000 715 L CA -0.985 54.016 54.840 0.268 0.000 0.819 715 L CB 1.865 44.063 42.059 0.233 0.000 1.284 715 L HN 0.752 nan 8.230 nan 0.000 0.418 716 N N 3.094 121.948 118.700 0.257 0.000 2.437 716 N HA 0.477 5.216 4.740 -0.001 0.000 0.259 716 N C -1.462 174.131 175.510 0.138 0.000 0.983 716 N CA -0.395 52.724 53.050 0.116 0.000 0.937 716 N CB 0.872 39.454 38.487 0.158 0.000 1.122 716 N HN 0.689 nan 8.380 nan 0.000 0.499 717 F N 1.053 120.959 119.950 -0.074 0.000 2.565 717 F HA 0.766 5.292 4.527 -0.000 0.000 0.313 717 F C -0.072 175.694 175.800 -0.057 0.000 1.091 717 F CA -0.659 57.322 58.000 -0.032 0.000 0.915 717 F CB 1.325 40.339 39.000 0.024 0.000 1.208 717 F HN 0.406 nan 8.300 nan 0.000 0.453 718 T N 0.309 114.824 114.554 -0.065 0.000 2.564 718 T HA 0.640 4.990 4.350 -0.001 0.000 0.265 718 T C -1.335 173.375 174.700 0.016 0.000 0.908 718 T CA -0.910 61.098 62.100 -0.153 0.000 1.166 718 T CB 1.119 69.903 68.868 -0.140 0.000 1.497 718 T HN 0.764 nan 8.240 nan 0.000 0.484 719 L N 1.587 122.807 121.223 -0.005 0.000 2.462 719 L HA 0.613 4.953 4.340 -0.001 0.000 0.255 719 L C -0.361 176.516 176.870 0.011 0.000 1.076 719 L CA -0.846 54.009 54.840 0.025 0.000 0.920 719 L CB 1.521 43.597 42.059 0.028 0.000 1.214 719 L HN 0.551 nan 8.230 nan 0.000 0.472 720 V N 3.069 122.991 119.914 0.013 0.000 2.732 720 V HA 0.690 4.809 4.120 -0.001 0.000 0.297 720 V C 1.204 177.301 176.094 0.005 0.000 1.060 720 V CA 1.416 63.720 62.300 0.007 0.000 1.038 720 V CB 1.276 33.103 31.823 0.007 0.000 1.003 720 V HN 0.925 nan 8.190 nan 0.000 0.481 721 G N 3.915 112.719 108.800 0.005 0.000 5.045 721 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.229 721 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.229 721 G C 0.613 175.516 174.900 0.006 0.000 1.440 721 G CA 0.458 45.561 45.100 0.004 0.000 0.936 721 G HN 1.368 nan 8.290 nan 0.000 0.690 722 K N -0.342 120.058 120.400 -0.001 0.000 3.281 722 K HA -0.145 4.174 4.320 -0.001 0.000 0.295 722 K C -2.461 174.127 176.600 -0.021 0.000 1.233 722 K CA 1.076 57.362 56.287 -0.001 0.000 0.866 722 K CB -1.565 30.945 32.500 0.017 0.000 1.265 722 K HN 0.669 nan 8.250 nan 0.000 0.482 723 P HA 0.335 nan 4.420 nan 0.000 0.297 723 P C -0.654 176.572 177.300 -0.124 0.000 1.331 723 P CA -0.210 62.824 63.100 -0.110 0.000 0.803 723 P CB 0.787 32.433 31.700 -0.089 0.000 0.929 724 L N 5.487 126.609 121.223 -0.168 0.000 2.485 724 L HA 0.194 4.533 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 54.109 54.840 -0.128 0.000 0.883 724 L CB 1.386 43.396 42.059 -0.081 0.000 1.196 724 L HN 0.270 nan 8.230 nan 0.000 0.443 725 L N 2.412 123.542 121.223 -0.156 0.000 4.932 725 L HA -0.343 3.997 4.340 -0.001 0.000 0.053 725 L C 0.531 177.269 176.870 -0.220 0.000 3.391 725 L CA 2.266 57.022 54.840 -0.140 0.000 1.344 725 L CB -1.059 40.949 42.059 -0.084 0.000 3.088 725 L HN 0.661 nan 8.230 nan 0.000 0.942 726 A N -1.161 121.560 122.820 -0.165 0.000 2.242 726 A HA 0.598 4.918 4.320 -0.001 0.000 0.304 726 A C 0.105 177.540 177.584 -0.248 0.000 1.100 726 A CA 0.298 52.245 52.037 -0.150 0.000 0.860 726 A CB 0.065 19.067 19.000 0.004 0.000 1.168 726 A HN 0.483 nan 8.150 nan 0.000 0.503 727 F N -0.358 119.600 119.950 0.013 0.000 2.843 727 F HA 0.214 4.741 4.527 -0.001 0.000 0.290 727 F C 1.662 177.473 175.800 0.018 0.000 1.221 727 F CA 0.157 58.166 58.000 0.015 0.000 1.413 727 F CB -0.042 38.968 39.000 0.016 0.000 1.019 727 F HN 0.510 nan 8.300 nan 0.000 0.512 728 R N 0.375 120.941 120.500 0.110 0.000 2.317 728 R HA 0.043 4.383 4.340 -0.001 0.000 0.208 728 R C 1.546 177.871 176.300 0.041 0.000 0.914 728 R CA 0.471 56.616 56.100 0.076 0.000 1.060 728 R CB -0.107 30.221 30.300 0.047 0.000 1.015 728 R HN 0.379 nan 8.270 nan 0.000 0.498 729 N N 0.346 119.067 118.700 0.035 0.000 2.516 729 N HA 0.012 4.752 4.740 -0.001 0.000 0.197 729 N C 1.246 176.783 175.510 0.045 0.000 1.064 729 N CA 0.093 53.157 53.050 0.023 0.000 0.866 729 N CB 0.331 38.817 38.487 -0.002 0.000 1.255 729 N HN 0.045 nan 8.380 nan 0.000 0.447 730 L N -0.262 121.005 121.223 0.073 0.000 4.142 730 L HA -0.363 3.976 4.340 -0.001 0.000 0.053 730 L C 0.300 177.209 176.870 0.064 0.000 3.897 730 L CA 2.366 57.267 54.840 0.102 0.000 1.100 730 L CB -1.050 41.075 42.059 0.109 0.000 3.275 730 L HN 0.544 nan 8.230 nan 0.000 0.858 731 R N 1.362 121.895 120.500 0.056 0.000 2.320 731 R HA 0.558 4.897 4.340 -0.001 0.000 0.319 731 R C -2.864 173.463 176.300 0.046 0.000 0.969 731 R CA -1.687 54.441 56.100 0.047 0.000 0.857 731 R CB 1.577 31.906 30.300 0.048 0.000 1.160 731 R HN 0.007 nan 8.270 nan 0.000 0.491 732 P HA 0.326 nan 4.420 nan 0.000 0.277 732 P C -0.651 176.688 177.300 0.065 0.000 1.271 732 P CA -0.671 62.460 63.100 0.051 0.000 0.795 732 P CB 0.889 32.612 31.700 0.039 0.000 1.101 733 M N -2.032 117.624 119.600 0.093 0.000 3.084 733 M HA 0.475 4.955 4.480 -0.001 0.000 0.273 733 M C -1.804 174.583 176.300 0.146 0.000 1.242 733 M CA -0.897 54.464 55.300 0.102 0.000 0.819 733 M CB 0.971 33.642 32.600 0.119 0.000 1.625 733 M HN -0.064 nan 8.290 nan 0.000 0.493 734 L N 1.064 122.355 121.223 0.114 0.000 2.376 734 L HA 0.939 5.279 4.340 -0.001 0.000 0.267 734 L C 0.475 177.425 176.870 0.135 0.000 1.035 734 L CA -0.878 54.041 54.840 0.133 0.000 0.800 734 L CB 1.589 43.654 42.059 0.010 0.000 1.290 734 L HN 0.954 nan 8.230 nan 0.000 0.462 735 A N 0.221 123.104 122.820 0.105 0.000 2.301 735 A HA 0.629 4.949 4.320 -0.001 0.000 0.287 735 A C 1.027 178.341 177.584 -0.450 0.000 1.274 735 A CA 0.465 52.449 52.037 -0.088 0.000 0.865 735 A CB 0.084 18.976 19.000 -0.180 0.000 1.324 735 A HN 0.847 nan 8.150 nan 0.000 0.508 736 A N -0.935 121.479 122.820 -0.675 0.000 1.854 736 A HA 0.041 4.361 4.320 -0.001 0.000 0.214 736 A C 0.632 178.006 177.584 -0.349 0.000 1.192 736 A CA 1.471 53.149 52.037 -0.600 0.000 0.611 736 A CB -0.572 18.084 19.000 -0.573 0.000 0.832 736 A HN 0.640 nan 8.150 nan 0.000 0.442 737 D N 1.008 121.226 120.400 -0.303 0.000 2.600 737 D HA 0.439 5.079 4.640 -0.001 0.000 0.226 737 D C -0.338 175.862 176.300 -0.166 0.000 1.119 737 D CA 0.483 54.357 54.000 -0.209 0.000 1.051 737 D CB 0.043 40.731 40.800 -0.187 0.000 1.106 737 D HN 0.335 nan 8.370 nan 0.000 0.491 738 A N 2.376 125.096 122.820 -0.166 0.000 2.412 738 A HA 0.177 4.496 4.320 -0.001 0.000 0.334 738 A C 0.551 178.023 177.584 -0.187 0.000 1.419 738 A CA -0.710 51.249 52.037 -0.130 0.000 0.930 738 A CB 0.440 19.328 19.000 -0.186 0.000 1.149 738 A HN 0.095 nan 8.150 nan 0.000 0.515 739 Q N 2.192 121.898 119.800 -0.156 0.000 3.179 739 Q HA 0.072 4.412 4.340 -0.001 0.000 0.328 739 Q C 0.838 176.355 176.000 -0.804 0.000 1.336 739 Q CA 0.003 55.554 55.803 -0.419 0.000 0.939 739 Q CB -0.192 28.323 28.738 -0.373 0.000 1.658 739 Q HN 0.763 nan 8.270 nan 0.000 0.486 740 R N -0.251 119.926 120.500 -0.539 0.000 2.261 740 R HA -0.130 4.209 4.340 -0.001 0.000 0.236 740 R C -0.108 175.909 176.300 -0.473 0.000 1.141 740 R CA 0.951 56.701 56.100 -0.583 0.000 1.001 740 R CB 0.074 29.843 30.300 -0.885 0.000 0.866 740 R HN 0.252 nan 8.270 nan 0.000 0.468 741 Y N 0.078 120.172 120.300 -0.345 0.000 2.676 741 Y HA 0.208 4.758 4.550 -0.001 0.000 0.338 741 Y C -0.553 175.183 175.900 -0.274 0.000 1.057 741 Y CA -0.967 57.016 58.100 -0.195 0.000 1.314 741 Y CB 0.079 38.464 38.460 -0.125 0.000 1.164 741 Y HN -0.195 nan 8.280 nan 0.000 0.509 742 F N 1.102 121.225 119.950 0.287 0.000 2.411 742 F HA 0.515 5.042 4.527 -0.001 0.000 0.352 742 F C 0.385 176.289 175.800 0.173 0.000 1.123 742 F CA -0.949 57.171 58.000 0.200 0.000 1.044 742 F CB 1.616 40.712 39.000 0.161 0.000 1.135 742 F HN 0.121 nan 8.300 nan 0.000 0.461 743 T N 2.631 117.388 114.554 0.339 0.000 2.856 743 T HA 0.829 5.179 4.350 -0.001 0.000 0.283 743 T C -0.654 174.178 174.700 0.220 0.000 1.008 743 T CA -0.734 61.514 62.100 0.246 0.000 0.997 743 T CB 1.738 70.722 68.868 0.192 0.000 0.992 743 T HN 0.674 nan 8.240 nan 0.000 0.454 744 A N 2.081 125.031 122.820 0.217 0.000 2.386 744 A HA 0.827 5.147 4.320 -0.001 0.000 0.311 744 A C 0.071 177.902 177.584 0.412 0.000 1.068 744 A CA -0.864 51.308 52.037 0.225 0.000 0.743 744 A CB 1.213 20.245 19.000 0.054 0.000 1.258 744 A HN 0.870 nan 8.150 nan 0.000 0.429 745 S N 1.257 117.193 115.700 0.393 0.000 2.565 745 S HA 0.729 5.199 4.470 -0.001 0.000 0.290 745 S C -0.563 174.201 174.600 0.273 0.000 1.150 745 S CA -0.627 57.757 58.200 0.307 0.000 1.058 745 S CB 1.232 64.544 63.200 0.187 0.000 1.032 745 S HN 0.902 nan 8.310 nan 0.000 0.510 746 L N 2.846 123.979 121.223 -0.151 0.000 2.345 746 L HA 0.528 4.868 4.340 -0.001 0.000 0.274 746 L C -2.737 173.981 176.870 -0.253 0.000 0.999 746 L CA -2.395 52.155 54.840 -0.483 0.000 0.849 746 L CB 2.125 43.449 42.059 -1.225 0.000 1.220 746 L HN 0.528 nan 8.230 nan 0.000 0.422 747 P HA 0.367 nan 4.420 nan 0.000 0.279 747 P C -1.249 176.007 177.300 -0.073 0.000 1.282 747 P CA -0.159 62.981 63.100 0.066 0.000 0.788 747 P CB 0.685 32.434 31.700 0.081 0.000 1.139 748 F N -1.638 118.299 119.950 -0.020 0.000 2.579 748 F HA 0.323 4.850 4.527 -0.001 0.000 0.324 748 F C 0.969 176.751 175.800 -0.031 0.000 1.058 748 F CA -0.998 57.006 58.000 0.006 0.000 0.944 748 F CB 0.819 39.871 39.000 0.087 0.000 1.245 748 F HN 0.245 nan 8.300 nan 0.000 0.477 749 E N 2.288 122.553 120.200 0.109 0.000 1.791 749 E HA 0.040 4.390 4.350 -0.001 0.000 0.263 749 E C -0.386 176.134 176.600 -0.133 0.000 1.213 749 E CA -0.484 55.898 56.400 -0.029 0.000 0.991 749 E CB 0.141 29.789 29.700 -0.087 0.000 1.068 749 E HN 0.379 nan 8.360 nan 0.000 0.417 750 K N 3.575 123.928 120.400 -0.078 0.000 2.484 750 K HA -0.043 4.277 4.320 -0.001 0.000 0.280 750 K C -0.684 175.809 176.600 -0.179 0.000 1.013 750 K CA -0.068 56.132 56.287 -0.145 0.000 1.029 750 K CB 0.168 32.560 32.500 -0.179 0.000 0.902 750 K HN 0.319 nan 8.250 nan 0.000 0.481 751 N N 3.694 122.253 118.700 -0.235 0.000 2.412 751 N HA -0.050 4.689 4.740 -0.001 0.000 0.279 751 N C 0.143 175.633 175.510 -0.033 0.000 1.287 751 N CA 0.053 53.003 53.050 -0.166 0.000 0.948 751 N CB -0.315 38.100 38.487 -0.120 0.000 1.255 751 N HN 0.629 nan 8.380 nan 0.000 0.485 752 c N 1.007 119.608 118.600 0.002 0.000 2.480 752 c HA 0.674 5.244 4.570 -0.001 0.000 0.317 752 c C 0.918 175.055 174.090 0.078 0.000 1.300 752 c CA -0.122 56.254 56.329 0.078 0.000 1.706 752 c CB -1.585 41.007 42.510 0.137 0.000 1.840 752 c HN 0.706 nan 8.230 nan 0.000 0.596 753 G N -0.743 108.077 108.800 0.034 0.000 2.381 753 G HA2 0.418 4.377 3.960 -0.001 0.000 0.672 753 G HA3 0.418 4.377 3.960 -0.001 0.000 0.672 753 G C 0.295 175.207 174.900 0.020 0.000 1.324 753 G CA -0.350 44.766 45.100 0.027 0.000 0.975 753 G HN 1.201 nan 8.290 nan 0.000 0.593 754 A N -0.271 122.560 122.820 0.018 0.000 2.239 754 A HA 0.446 4.766 4.320 -0.001 0.000 0.209 754 A C 1.076 178.672 177.584 0.021 0.000 1.171 754 A CA 2.414 54.460 52.037 0.015 0.000 0.768 754 A CB -0.653 18.355 19.000 0.014 0.000 0.790 754 A HN 1.742 nan 8.150 nan 0.000 0.478 755 D N -5.579 114.846 120.400 0.043 0.000 3.734 755 D HA 0.221 4.861 4.640 -0.001 0.000 0.350 755 D C 0.310 176.689 176.300 0.131 0.000 1.511 755 D CA 0.265 54.299 54.000 0.057 0.000 0.956 755 D CB -0.098 40.732 40.800 0.049 0.000 1.470 755 D HN 0.271 nan 8.370 nan 0.000 0.598 756 H N -1.431 117.630 119.070 -0.014 0.000 4.089 756 H HA -0.202 4.353 4.556 -0.001 0.000 0.142 756 H C 1.033 176.353 175.328 -0.013 0.000 0.778 756 H CA 1.979 58.020 56.048 -0.012 0.000 1.258 756 H CB -1.067 28.689 29.762 -0.010 0.000 0.810 756 H HN 0.791 nan 8.280 nan 0.000 0.487 757 I N -1.892 118.618 120.570 -0.100 0.000 4.023 757 I HA -0.357 3.812 4.170 -0.001 0.000 0.143 757 I C 0.645 176.676 176.117 -0.143 0.000 0.902 757 I CA 1.490 62.712 61.300 -0.132 0.000 1.254 757 I CB -1.704 36.208 38.000 -0.147 0.000 1.332 757 I HN 0.976 nan 8.210 nan 0.000 0.205 758 c N 2.019 120.504 118.600 -0.191 0.000 4.210 758 c HA -0.111 4.459 4.570 -0.001 0.000 0.315 758 c C 0.553 174.594 174.090 -0.082 0.000 1.159 758 c CA 0.169 56.456 56.329 -0.070 0.000 2.254 758 c CB -2.145 40.356 42.510 -0.015 0.000 1.321 758 c HN 0.555 nan 8.230 nan 0.000 0.647 759 Q N 1.149 120.873 119.800 -0.127 0.000 2.295 759 Q HA 0.226 4.566 4.340 -0.001 0.000 0.259 759 Q C 0.128 176.117 176.000 -0.018 0.000 0.976 759 Q CA 0.433 56.189 55.803 -0.078 0.000 0.923 759 Q CB 0.933 29.610 28.738 -0.101 0.000 1.185 759 Q HN 0.514 nan 8.270 nan 0.000 0.410 760 D N 2.795 123.194 120.400 -0.003 0.000 2.393 760 D HA 0.115 4.754 4.640 -0.001 0.000 0.232 760 D C -0.380 175.934 176.300 0.022 0.000 1.192 760 D CA -0.002 54.011 54.000 0.022 0.000 0.882 760 D CB 0.251 41.072 40.800 0.035 0.000 1.038 760 D HN 0.273 nan 8.370 nan 0.000 0.499 761 N N 3.488 122.200 118.700 0.021 0.000 2.576 761 N HA 0.338 5.078 4.740 -0.001 0.000 0.269 761 N C -1.648 173.891 175.510 0.049 0.000 1.058 761 N CA -0.394 52.671 53.050 0.024 0.000 0.860 761 N CB 0.585 39.073 38.487 0.001 0.000 1.249 761 N HN 0.193 nan 8.380 nan 0.000 0.525 762 L N 1.505 122.784 121.223 0.093 0.000 2.408 762 L HA 0.802 5.141 4.340 -0.001 0.000 0.268 762 L C 0.713 177.713 176.870 0.217 0.000 0.986 762 L CA -1.137 53.805 54.840 0.170 0.000 0.820 762 L CB 2.271 44.445 42.059 0.192 0.000 1.303 762 L HN 0.464 nan 8.230 nan 0.000 0.411 763 G N 1.782 110.805 108.800 0.371 0.000 2.597 763 G HA2 0.862 4.821 3.960 -0.001 0.000 0.317 763 G HA3 0.862 4.821 3.960 -0.001 0.000 0.317 763 G C -1.507 173.725 174.900 0.555 0.000 1.230 763 G CA -0.595 44.813 45.100 0.513 0.000 0.996 763 G HN 0.586 nan 8.290 nan 0.000 0.490 764 I N -0.912 119.936 120.570 0.462 0.000 2.842 764 I HA 0.644 4.814 4.170 -0.001 0.000 0.297 764 I C -1.344 174.657 176.117 -0.194 0.000 1.380 764 I CA -0.564 60.749 61.300 0.021 0.000 1.018 764 I CB 2.200 40.234 38.000 0.055 0.000 1.311 764 I HN 0.689 nan 8.210 nan 0.000 0.439 765 S N 6.105 121.422 115.700 -0.638 0.000 2.562 765 S HA 0.758 5.227 4.470 -0.001 0.000 0.274 765 S C -1.476 172.616 174.600 -0.847 0.000 1.160 765 S CA -0.501 56.950 58.200 -1.250 0.000 0.933 765 S CB 1.074 63.796 63.200 -0.796 0.000 1.100 765 S HN 0.608 nan 8.310 nan 0.000 0.468 766 F N 1.570 121.081 119.950 -0.733 0.000 2.629 766 F HA 0.954 5.481 4.527 -0.000 0.000 0.316 766 F C -0.282 175.378 175.800 -0.233 0.000 1.081 766 F CA -0.636 57.154 58.000 -0.349 0.000 0.954 766 F CB 1.237 40.115 39.000 -0.203 0.000 1.337 766 F HN 0.628 nan 8.300 nan 0.000 0.474 767 S N -0.089 115.604 115.700 -0.012 0.000 2.705 767 S HA 0.797 5.267 4.470 -0.001 0.000 0.280 767 S C -1.901 172.495 174.600 -0.340 0.000 1.174 767 S CA -0.771 57.359 58.200 -0.116 0.000 0.823 767 S CB 1.757 64.932 63.200 -0.041 0.000 1.162 767 S HN 0.562 nan 8.310 nan 0.000 0.487 768 F N 1.393 121.418 119.950 0.124 0.000 2.532 768 F HA 0.492 5.019 4.527 -0.000 0.000 0.365 768 F C -2.679 173.143 175.800 0.037 0.000 1.112 768 F CA -1.976 56.063 58.000 0.066 0.000 1.082 768 F CB 1.330 40.367 39.000 0.061 0.000 1.319 768 F HN 0.285 nan 8.300 nan 0.000 0.457 769 P HA 0.230 nan 4.420 nan 0.000 0.264 769 P C 0.902 178.256 177.300 0.090 0.000 1.236 769 P CA 0.748 63.905 63.100 0.095 0.000 0.811 769 P CB 0.524 32.256 31.700 0.054 0.000 0.840 770 G N 2.723 111.569 108.800 0.076 0.000 2.205 770 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.261 770 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.261 770 G C 0.039 174.966 174.900 0.046 0.000 0.980 770 G CA -0.158 44.972 45.100 0.051 0.000 0.632 770 G HN 0.598 nan 8.290 nan 0.000 0.533 771 L N 1.902 123.166 121.223 0.069 0.000 2.654 771 L HA 0.446 4.786 4.340 -0.001 0.000 0.271 771 L C 0.853 177.726 176.870 0.004 0.000 1.169 771 L CA 0.522 55.374 54.840 0.022 0.000 0.947 771 L CB 0.005 42.068 42.059 0.006 0.000 1.232 771 L HN 0.372 nan 8.230 nan 0.000 0.486 772 K N 3.369 123.761 120.400 -0.014 0.000 2.414 772 K HA 0.493 4.813 4.320 -0.001 0.000 0.251 772 K C 0.510 177.092 176.600 -0.031 0.000 1.037 772 K CA 0.026 56.306 56.287 -0.013 0.000 0.980 772 K CB 0.995 33.492 32.500 -0.004 0.000 1.280 772 K HN 0.618 nan 8.250 nan 0.000 0.451 773 S N 2.313 117.988 115.700 -0.041 0.000 1.470 773 S HA -0.226 4.244 4.470 -0.001 0.000 0.246 773 S C -0.001 174.547 174.600 -0.087 0.000 0.739 773 S CA 0.987 59.157 58.200 -0.050 0.000 1.221 773 S CB -1.361 61.820 63.200 -0.031 0.000 1.423 773 S HN 1.509 nan 8.310 nan 0.000 0.506 774 L N 0.886 122.051 121.223 -0.097 0.000 3.521 774 L HA -0.078 4.262 4.340 -0.001 0.000 0.653 774 L C -0.539 176.235 176.870 -0.159 0.000 1.077 774 L CA 1.485 56.243 54.840 -0.137 0.000 1.144 774 L CB -1.569 40.378 42.059 -0.187 0.000 1.447 774 L HN 0.893 nan 8.230 nan 0.000 0.811 775 L N 2.442 123.591 121.223 -0.123 0.000 2.334 775 L HA 0.893 5.232 4.340 -0.001 0.000 0.275 775 L C 0.141 176.941 176.870 -0.117 0.000 1.036 775 L CA -0.778 53.977 54.840 -0.142 0.000 0.807 775 L CB 1.556 43.590 42.059 -0.043 0.000 1.231 775 L HN 0.076 nan 8.230 nan 0.000 0.438 776 V N 3.750 123.575 119.914 -0.148 0.000 2.397 776 V HA 0.597 4.716 4.120 -0.001 0.000 0.262 776 V C 1.035 177.170 176.094 0.068 0.000 1.047 776 V CA 0.963 63.248 62.300 -0.026 0.000 1.003 776 V CB -0.570 31.300 31.823 0.077 0.000 1.037 776 V HN 1.223 nan 8.190 nan 0.000 0.480 777 G N 4.199 113.025 108.800 0.042 0.000 3.736 777 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.196 777 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.196 777 G C 0.375 175.292 174.900 0.028 0.000 1.811 777 G CA 0.122 45.253 45.100 0.052 0.000 1.175 777 G HN 0.613 nan 8.290 nan 0.000 0.429 778 S N 0.689 116.400 115.700 0.019 0.000 2.645 778 S HA 0.497 4.966 4.470 -0.001 0.000 0.266 778 S C 0.529 175.120 174.600 -0.016 0.000 1.258 778 S CA 0.363 58.565 58.200 0.004 0.000 0.990 778 S CB 0.494 63.698 63.200 0.006 0.000 0.967 778 S HN 0.900 nan 8.310 nan 0.000 0.556 779 N N -0.033 118.654 118.700 -0.021 0.000 2.708 779 N HA -0.170 4.569 4.740 -0.001 0.000 0.255 779 N C 0.254 175.743 175.510 -0.036 0.000 1.046 779 N CA 0.333 53.361 53.050 -0.037 0.000 0.715 779 N CB -1.273 37.178 38.487 -0.062 0.000 0.895 779 N HN 0.506 nan 8.380 nan 0.000 0.545 780 L N 0.476 121.687 121.223 -0.019 0.000 2.007 780 L HA -0.080 4.259 4.340 -0.001 0.000 0.205 780 L C 1.394 178.256 176.870 -0.014 0.000 1.073 780 L CA 1.253 56.087 54.840 -0.011 0.000 0.744 780 L CB 0.009 42.066 42.059 -0.003 0.000 0.898 780 L HN 0.429 nan 8.230 nan 0.000 0.435 781 E N 0.742 120.932 120.200 -0.017 0.000 2.354 781 E HA 0.236 4.586 4.350 -0.001 0.000 0.269 781 E C -0.892 175.701 176.600 -0.011 0.000 1.036 781 E CA -0.537 55.854 56.400 -0.015 0.000 0.876 781 E CB 1.293 30.979 29.700 -0.024 0.000 1.009 781 E HN 0.104 nan 8.360 nan 0.000 0.416 782 L N 3.741 124.976 121.223 0.019 0.000 2.345 782 L HA 0.330 4.670 4.340 -0.001 0.000 0.274 782 L C -1.454 175.493 176.870 0.127 0.000 0.999 782 L CA -0.745 54.106 54.840 0.018 0.000 0.849 782 L CB 1.080 43.115 42.059 -0.041 0.000 1.220 782 L HN 0.497 nan 8.230 nan 0.000 0.422 783 N N 4.394 123.172 118.700 0.130 0.000 2.401 783 N HA 0.510 5.250 4.740 -0.001 0.000 0.255 783 N C -0.401 175.283 175.510 0.290 0.000 1.110 783 N CA -0.065 53.078 53.050 0.156 0.000 0.949 783 N CB 1.561 40.102 38.487 0.090 0.000 1.110 783 N HN 0.633 nan 8.380 nan 0.000 0.490 784 A N 1.920 124.840 122.820 0.166 0.000 2.303 784 A HA 0.312 4.631 4.320 -0.001 0.000 0.320 784 A C -0.005 177.487 177.584 -0.154 0.000 1.192 784 A CA -0.745 51.252 52.037 -0.067 0.000 0.821 784 A CB 0.722 19.596 19.000 -0.211 0.000 1.188 784 A HN 0.634 nan 8.150 nan 0.000 0.492 785 E N 2.812 122.900 120.200 -0.187 0.000 2.070 785 E HA 0.400 4.749 4.350 -0.001 0.000 0.261 785 E C -1.394 175.065 176.600 -0.235 0.000 0.926 785 E CA -0.276 56.009 56.400 -0.192 0.000 0.760 785 E CB 1.034 30.662 29.700 -0.120 0.000 1.133 785 E HN 0.460 nan 8.360 nan 0.000 0.420 786 V N 6.363 126.044 119.914 -0.389 0.000 2.370 786 V HA 0.389 4.509 4.120 -0.001 0.000 0.279 786 V C -0.299 175.507 176.094 -0.480 0.000 1.029 786 V CA -0.427 61.641 62.300 -0.387 0.000 0.870 786 V CB 1.370 32.928 31.823 -0.441 0.000 0.984 786 V HN 0.808 nan 8.190 nan 0.000 0.451 787 M N 6.678 126.036 119.600 -0.404 0.000 2.528 787 M HA 0.763 5.243 4.480 -0.001 0.000 0.318 787 M C -1.443 174.498 176.300 -0.599 0.000 1.195 787 M CA -0.412 54.609 55.300 -0.465 0.000 1.000 787 M CB 1.943 34.244 32.600 -0.498 0.000 1.615 787 M HN 0.568 nan 8.290 nan 0.000 0.469 788 V N 3.240 122.787 119.914 -0.612 0.000 3.048 788 V HA 0.578 4.698 4.120 -0.001 0.000 0.303 788 V C -1.920 173.991 176.094 -0.305 0.000 1.214 788 V CA -0.512 61.501 62.300 -0.479 0.000 0.984 788 V CB 2.483 34.224 31.823 -0.137 0.000 1.054 788 V HN 0.941 nan 8.190 nan 0.000 0.430 789 W N 2.608 124.042 121.300 0.223 0.000 2.671 789 W HA 0.556 5.216 4.660 -0.000 0.000 0.360 789 W C -0.192 176.419 176.519 0.152 0.000 1.128 789 W CA -0.686 56.774 57.345 0.190 0.000 1.184 789 W CB 1.714 31.209 29.460 0.057 0.000 1.415 789 W HN 0.641 nan 8.180 nan 0.000 0.604 790 N N 1.039 119.812 118.700 0.121 0.000 2.716 790 N HA 0.077 4.816 4.740 -0.001 0.000 0.245 790 N C -0.783 174.661 175.510 -0.109 0.000 1.495 790 N CA 0.009 52.940 53.050 -0.199 0.000 0.759 790 N CB -0.033 37.895 38.487 -0.932 0.000 1.261 790 N HN 0.107 nan 8.380 nan 0.000 0.515 791 D N 0.133 120.525 120.400 -0.013 0.000 2.325 791 D HA 0.258 4.898 4.640 -0.001 0.000 0.234 791 D C 0.793 177.076 176.300 -0.029 0.000 1.122 791 D CA 0.375 54.357 54.000 -0.030 0.000 0.850 791 D CB 0.389 41.162 40.800 -0.045 0.000 0.921 791 D HN 0.580 nan 8.370 nan 0.000 0.513 792 G N -0.475 108.304 108.800 -0.035 0.000 3.135 792 G HA2 0.316 4.276 3.960 -0.001 0.000 0.278 792 G HA3 0.316 4.276 3.960 -0.001 0.000 0.278 792 G C -0.628 174.268 174.900 -0.006 0.000 1.302 792 G CA -0.504 44.590 45.100 -0.010 0.000 0.880 792 G HN -0.058 nan 8.290 nan 0.000 0.574 793 E N 0.354 120.576 120.200 0.038 0.000 2.459 793 E HA 0.114 4.464 4.350 -0.001 0.000 0.264 793 E C -0.386 176.222 176.600 0.014 0.000 1.055 793 E CA 0.007 56.448 56.400 0.067 0.000 0.957 793 E CB 0.267 30.024 29.700 0.095 0.000 0.952 793 E HN 0.245 nan 8.360 nan 0.000 0.448 794 D N 1.489 121.897 120.400 0.012 0.000 2.487 794 D HA 0.036 4.676 4.640 -0.001 0.000 0.243 794 D C -0.576 175.735 176.300 0.018 0.000 1.154 794 D CA 0.341 54.299 54.000 -0.071 0.000 0.876 794 D CB 0.295 41.010 40.800 -0.141 0.000 1.161 794 D HN 0.348 nan 8.370 nan 0.000 0.478 795 S N 2.095 117.785 115.700 -0.018 0.000 2.475 795 S HA 0.315 4.784 4.470 -0.001 0.000 0.281 795 S C 0.223 174.867 174.600 0.073 0.000 1.198 795 S CA -0.562 57.706 58.200 0.113 0.000 1.063 795 S CB 0.862 64.159 63.200 0.161 0.000 0.972 795 S HN 0.350 nan 8.310 nan 0.000 0.486 796 Y N 3.250 123.608 120.300 0.096 0.000 2.296 796 Y HA 0.361 4.911 4.550 -0.001 0.000 0.271 796 Y C 2.380 178.329 175.900 0.082 0.000 1.102 796 Y CA 0.934 59.086 58.100 0.087 0.000 1.147 796 Y CB -0.634 37.869 38.460 0.070 0.000 1.070 796 Y HN 0.801 nan 8.280 nan 0.000 0.495 797 G N 0.163 109.119 108.800 0.260 0.000 3.530 797 G HA2 0.054 4.014 3.960 -0.001 0.000 0.269 797 G HA3 0.054 4.014 3.960 -0.001 0.000 0.269 797 G C 0.084 175.050 174.900 0.110 0.000 1.314 797 G CA -0.062 45.131 45.100 0.155 0.000 1.441 797 G HN 0.153 nan 8.290 nan 0.000 0.595 798 T N 1.161 115.780 114.554 0.109 0.000 2.905 798 T HA 0.301 4.651 4.350 -0.001 0.000 0.299 798 T C 0.853 175.562 174.700 0.015 0.000 1.024 798 T CA 0.807 62.958 62.100 0.085 0.000 1.151 798 T CB 0.192 69.135 68.868 0.124 0.000 0.987 798 T HN 0.462 nan 8.240 nan 0.000 0.535 799 T N 3.214 117.777 114.554 0.016 0.000 2.885 799 T HA 0.666 5.015 4.350 -0.001 0.000 0.285 799 T C -0.736 173.937 174.700 -0.046 0.000 1.019 799 T CA -1.061 61.025 62.100 -0.023 0.000 1.010 799 T CB 1.482 70.352 68.868 0.004 0.000 1.022 799 T HN 0.534 nan 8.240 nan 0.000 0.466 800 I N 2.998 123.511 120.570 -0.094 0.000 2.468 800 I HA 0.513 4.683 4.170 -0.001 0.000 0.284 800 I C -0.154 175.818 176.117 -0.242 0.000 1.038 800 I CA -0.230 60.976 61.300 -0.157 0.000 1.083 800 I CB 1.649 39.578 38.000 -0.119 0.000 1.223 800 I HN 1.065 nan 8.210 nan 0.000 0.443 801 T N 3.735 118.140 114.554 -0.247 0.000 2.895 801 T HA 0.746 5.096 4.350 -0.001 0.000 0.283 801 T C -0.491 174.029 174.700 -0.300 0.000 1.014 801 T CA -0.379 61.622 62.100 -0.164 0.000 1.037 801 T CB 0.997 69.846 68.868 -0.032 0.000 1.006 801 T HN 0.234 nan 8.240 nan 0.000 0.468 802 F N 1.122 121.133 119.950 0.100 0.000 2.556 802 F HA 0.643 5.170 4.527 -0.000 0.000 0.327 802 F C 0.771 176.616 175.800 0.074 0.000 1.059 802 F CA -0.900 57.160 58.000 0.100 0.000 0.953 802 F CB 2.309 41.376 39.000 0.112 0.000 1.227 802 F HN 0.814 nan 8.300 nan 0.000 0.478 803 S N 0.809 116.666 115.700 0.262 0.000 2.454 803 S HA 0.777 5.247 4.470 -0.001 0.000 0.306 803 S C -1.277 173.410 174.600 0.145 0.000 1.100 803 S CA -0.488 57.783 58.200 0.117 0.000 1.087 803 S CB 0.796 64.058 63.200 0.104 0.000 1.019 803 S HN 0.820 nan 8.310 nan 0.000 0.480 804 H N -0.027 119.126 119.070 0.137 0.000 3.046 804 H HA 0.741 5.296 4.556 -0.001 0.000 0.361 804 H C -3.374 172.127 175.328 0.289 0.000 1.235 804 H CA -2.003 54.115 56.048 0.116 0.000 1.146 804 H CB 0.611 30.356 29.762 -0.029 0.000 1.859 804 H HN 0.412 nan 8.280 nan 0.000 0.548 805 P HA 0.035 nan 4.420 nan 0.000 0.270 805 P C 0.620 178.224 177.300 0.507 0.000 1.223 805 P CA 0.218 63.505 63.100 0.312 0.000 0.785 805 P CB 0.884 32.700 31.700 0.193 0.000 0.923 806 A N 2.802 125.759 122.820 0.228 0.000 2.032 806 A HA -0.132 4.188 4.320 -0.001 0.000 0.221 806 A C 2.141 179.950 177.584 0.374 0.000 1.165 806 A CA 1.975 54.062 52.037 0.084 0.000 0.645 806 A CB -1.762 17.073 19.000 -0.275 0.000 0.807 806 A HN 0.685 nan 8.150 nan 0.000 0.453 807 G N -0.974 108.000 108.800 0.291 0.000 2.916 807 G HA2 0.352 4.311 3.960 -0.001 0.000 0.205 807 G HA3 0.352 4.311 3.960 -0.001 0.000 0.205 807 G C 0.174 175.213 174.900 0.233 0.000 1.163 807 G CA 0.897 46.128 45.100 0.220 0.000 0.821 807 G HN 0.913 nan 8.290 nan 0.000 0.515 808 L N -4.644 116.781 121.223 0.338 0.000 2.775 808 L HA 0.867 5.207 4.340 -0.001 0.000 0.263 808 L C -0.664 176.313 176.870 0.179 0.000 1.017 808 L CA -1.013 53.953 54.840 0.209 0.000 0.891 808 L CB 1.383 43.503 42.059 0.102 0.000 1.482 808 L HN -0.183 nan 8.230 nan 0.000 0.410 809 S N -1.079 114.679 115.700 0.097 0.000 2.671 809 S HA 0.574 5.044 4.470 -0.001 0.000 0.277 809 S C -1.810 172.664 174.600 -0.211 0.000 1.165 809 S CA -0.628 57.552 58.200 -0.034 0.000 0.822 809 S CB 1.365 64.578 63.200 0.020 0.000 1.150 809 S HN 0.761 nan 8.310 nan 0.000 0.479 810 Y N 2.821 122.797 120.300 -0.539 0.000 2.304 810 Y HA 0.587 5.137 4.550 -0.000 0.000 0.328 810 Y C 0.147 175.820 175.900 -0.379 0.000 1.123 810 Y CA -0.465 57.148 58.100 -0.811 0.000 1.218 810 Y CB 0.550 38.527 38.460 -0.805 0.000 1.207 810 Y HN 0.657 nan 8.280 nan 0.000 0.495 811 R N 5.213 125.070 120.500 -1.070 0.000 2.621 811 R HA 0.306 4.646 4.340 -0.001 0.000 0.292 811 R C -1.836 173.808 176.300 -1.093 0.000 0.969 811 R CA -0.943 54.652 56.100 -0.842 0.000 0.887 811 R CB 0.925 30.980 30.300 -0.407 0.000 1.180 811 R HN 0.715 nan 8.270 nan 0.000 0.450 812 Y N 3.199 123.036 120.300 -0.772 0.000 2.810 812 Y HA -0.074 4.475 4.550 -0.001 0.000 0.332 812 Y C 0.869 176.605 175.900 -0.274 0.000 1.243 812 Y CA 0.438 58.278 58.100 -0.434 0.000 1.537 812 Y CB 0.889 39.245 38.460 -0.173 0.000 1.265 812 Y HN 0.540 nan 8.280 nan 0.000 0.572 813 V N 5.200 124.681 119.914 -0.722 0.000 2.273 813 V HA -0.035 4.084 4.120 -0.001 0.000 0.242 813 V C 1.305 177.157 176.094 -0.403 0.000 1.035 813 V CA 1.155 63.184 62.300 -0.453 0.000 1.013 813 V CB -1.419 30.212 31.823 -0.319 0.000 0.652 813 V HN 1.181 nan 8.190 nan 0.000 0.452 814 A N 0.538 122.934 122.820 -0.707 0.000 2.578 814 A HA -0.193 4.127 4.320 -0.001 0.000 0.298 814 A C 0.259 177.824 177.584 -0.032 0.000 1.472 814 A CA 0.711 52.683 52.037 -0.108 0.000 0.734 814 A CB -1.654 17.545 19.000 0.332 0.000 1.091 814 A HN 0.525 nan 8.150 nan 0.000 0.426 815 E N -1.534 118.623 120.200 -0.072 0.000 2.232 815 E HA 0.660 5.009 4.350 -0.001 0.000 0.264 815 E C 1.206 177.806 176.600 0.000 0.000 0.973 815 E CA 0.299 56.680 56.400 -0.033 0.000 0.849 815 E CB 1.769 31.439 29.700 -0.050 0.000 1.198 815 E HN 0.754 nan 8.360 nan 0.000 0.407 816 G N 0.115 108.918 108.800 0.005 0.000 2.414 816 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.198 816 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.198 816 G C 0.548 175.455 174.900 0.012 0.000 1.399 816 G CA 0.071 45.181 45.100 0.017 0.000 0.618 816 G HN 0.391 nan 8.290 nan 0.000 1.054 817 Q N 0.557 120.361 119.800 0.007 0.000 2.248 817 Q HA 0.256 4.595 4.340 -0.001 0.000 0.324 817 Q C -0.757 175.245 176.000 0.004 0.000 0.867 817 Q CA -0.113 55.694 55.803 0.007 0.000 1.101 817 Q CB 0.490 29.232 28.738 0.007 0.000 1.328 817 Q HN 0.574 nan 8.270 nan 0.000 0.408 818 K N -0.295 120.107 120.400 0.003 0.000 2.507 818 K HA 0.610 4.929 4.320 -0.001 0.000 0.284 818 K C -1.280 175.322 176.600 0.003 0.000 1.038 818 K CA -0.962 55.327 56.287 0.005 0.000 0.903 818 K CB 1.592 34.096 32.500 0.007 0.000 1.531 818 K HN 0.079 nan 8.250 nan 0.000 0.430 819 Q N -0.979 118.823 119.800 0.004 0.000 2.920 819 Q HA 0.402 4.741 4.340 -0.001 0.000 0.255 819 Q C -1.281 174.722 176.000 0.004 0.000 0.976 819 Q CA -0.809 54.995 55.803 0.002 0.000 0.862 819 Q CB 0.758 29.495 28.738 -0.003 0.000 1.952 819 Q HN 0.825 nan 8.270 nan 0.000 0.489 820 G N 0.672 109.474 108.800 0.003 0.000 2.830 820 G HA2 0.195 4.154 3.960 -0.001 0.000 0.177 820 G HA3 0.195 4.154 3.960 -0.001 0.000 0.177 820 G C -0.640 174.261 174.900 0.002 0.000 1.649 820 G CA -0.157 44.944 45.100 0.001 0.000 0.867 820 G HN 0.417 nan 8.290 nan 0.000 0.780 821 Q N 0.362 120.163 119.800 0.000 0.000 2.354 821 Q HA 0.611 4.951 4.340 -0.001 0.000 0.372 821 Q C -0.843 175.158 176.000 0.001 0.000 0.923 821 Q CA -0.151 55.654 55.803 0.002 0.000 1.123 821 Q CB 1.358 30.096 28.738 0.000 0.000 1.298 821 Q HN 0.287 nan 8.270 nan 0.000 0.419 822 L N -1.008 120.217 121.223 0.004 0.000 2.309 822 L HA 0.520 4.860 4.340 -0.001 0.000 0.240 822 L C -1.048 175.831 176.870 0.014 0.000 1.136 822 L CA -1.170 53.672 54.840 0.003 0.000 0.985 822 L CB 1.312 43.370 42.059 -0.003 0.000 1.572 822 L HN 0.209 nan 8.230 nan 0.000 0.426 823 R N 0.120 120.633 120.500 0.023 0.000 2.566 823 R HA 0.195 4.535 4.340 -0.001 0.000 0.273 823 R C -0.578 175.739 176.300 0.029 0.000 0.981 823 R CA 1.463 57.589 56.100 0.044 0.000 1.091 823 R CB 0.277 30.614 30.300 0.062 0.000 0.924 823 R HN 0.608 nan 8.270 nan 0.000 0.411 824 S N 3.479 119.198 115.700 0.032 0.000 2.960 824 S HA 0.165 4.635 4.470 -0.001 0.000 0.256 824 S C -1.150 173.481 174.600 0.052 0.000 1.017 824 S CA -0.552 57.669 58.200 0.036 0.000 1.144 824 S CB 0.469 63.685 63.200 0.026 0.000 1.109 824 S HN 0.526 nan 8.310 nan 0.000 0.638 825 L N 3.180 124.429 121.223 0.045 0.000 2.345 825 L HA 0.467 4.807 4.340 -0.001 0.000 0.274 825 L C -0.513 176.391 176.870 0.056 0.000 0.999 825 L CA -0.361 54.483 54.840 0.007 0.000 0.849 825 L CB 0.628 42.644 42.059 -0.073 0.000 1.220 825 L HN 0.212 nan 8.230 nan 0.000 0.422 826 H N 6.199 125.265 119.070 -0.007 0.000 2.955 826 H HA 0.457 5.013 4.556 -0.001 0.000 0.290 826 H C -1.311 173.974 175.328 -0.073 0.000 1.047 826 H CA 0.012 56.095 56.048 0.060 0.000 1.484 826 H CB 0.660 30.529 29.762 0.177 0.000 1.501 826 H HN 0.649 nan 8.280 nan 0.000 0.521 827 L N 2.647 123.707 121.223 -0.272 0.000 2.409 827 L HA 0.474 4.814 4.340 -0.001 0.000 0.262 827 L C -0.566 176.170 176.870 -0.222 0.000 0.992 827 L CA -0.890 53.806 54.840 -0.240 0.000 0.817 827 L CB 1.922 43.813 42.059 -0.279 0.000 1.350 827 L HN 0.268 nan 8.230 nan 0.000 0.411 828 T N 1.084 115.553 114.554 -0.141 0.000 2.758 828 T HA 0.605 4.954 4.350 -0.001 0.000 0.285 828 T C -0.661 174.010 174.700 -0.048 0.000 0.981 828 T CA -0.175 61.882 62.100 -0.072 0.000 0.965 828 T CB 0.531 69.396 68.868 -0.005 0.000 0.927 828 T HN 0.735 nan 8.240 nan 0.000 0.448 829 c N 3.183 121.777 118.600 -0.011 0.000 2.455 829 c HA 0.676 5.246 4.570 -0.001 0.000 0.320 829 c C -0.485 173.633 174.090 0.047 0.000 1.226 829 c CA -1.018 55.302 56.329 -0.015 0.000 1.569 829 c CB 1.076 43.524 42.510 -0.103 0.000 2.200 829 c HN 0.768 nan 8.230 nan 0.000 0.491 830 D N 1.693 122.120 120.400 0.045 0.000 2.542 830 D HA 0.336 4.976 4.640 -0.001 0.000 0.252 830 D C -0.133 176.196 176.300 0.048 0.000 1.222 830 D CA 0.111 54.151 54.000 0.066 0.000 0.895 830 D CB 1.738 42.590 40.800 0.087 0.000 1.207 830 D HN 0.679 nan 8.370 nan 0.000 0.558 831 S N 0.821 116.536 115.700 0.025 0.000 2.593 831 S HA 0.817 5.287 4.470 -0.001 0.000 0.269 831 S C 0.051 174.644 174.600 -0.012 0.000 1.334 831 S CA -0.570 57.588 58.200 -0.069 0.000 1.015 831 S CB 1.634 64.729 63.200 -0.175 0.000 0.912 831 S HN 0.605 nan 8.310 nan 0.000 0.541 832 A N 1.265 124.055 122.820 -0.050 0.000 2.585 832 A HA 0.643 4.963 4.320 -0.001 0.000 0.299 832 A C -3.316 174.490 177.584 0.371 0.000 1.047 832 A CA -1.326 50.819 52.037 0.179 0.000 0.723 832 A CB 0.715 19.796 19.000 0.134 0.000 1.275 832 A HN 0.637 nan 8.150 nan 0.000 0.408 833 P HA 0.423 nan 4.420 nan 0.000 0.276 833 P C 0.096 177.574 177.300 0.297 0.000 1.230 833 P CA 0.076 63.500 63.100 0.539 0.000 0.776 833 P CB 1.479 33.368 31.700 0.316 0.000 0.888 834 V N 2.963 123.036 119.914 0.264 0.000 3.671 834 V HA 0.269 4.389 4.120 -0.001 0.000 0.202 834 V C 1.522 177.678 176.094 0.103 0.000 1.188 834 V CA 1.050 63.442 62.300 0.154 0.000 1.325 834 V CB -0.990 30.913 31.823 0.133 0.000 1.470 834 V HN 0.675 nan 8.190 nan 0.000 0.520 835 G N -0.245 108.614 108.800 0.098 0.000 2.771 835 G HA2 0.121 4.081 3.960 -0.001 0.000 0.242 835 G HA3 0.121 4.081 3.960 -0.001 0.000 0.242 835 G C 1.284 176.207 174.900 0.039 0.000 1.233 835 G CA 0.724 45.860 45.100 0.060 0.000 0.858 835 G HN 0.308 nan 8.290 nan 0.000 0.591 836 S N -0.859 114.857 115.700 0.026 0.000 2.359 836 S HA -0.156 4.313 4.470 -0.001 0.000 0.223 836 S C 1.140 175.744 174.600 0.007 0.000 1.039 836 S CA 2.182 60.391 58.200 0.015 0.000 1.042 836 S CB -0.218 62.988 63.200 0.010 0.000 0.915 836 S HN 0.658 nan 8.310 nan 0.000 0.439 837 Q N -1.539 118.262 119.800 0.002 0.000 3.025 837 Q HA 0.444 4.784 4.340 -0.001 0.000 0.216 837 Q C -0.241 175.747 176.000 -0.021 0.000 0.828 837 Q CA 0.293 56.087 55.803 -0.015 0.000 0.806 837 Q CB 0.679 29.411 28.738 -0.011 0.000 1.423 837 Q HN 0.555 nan 8.270 nan 0.000 0.455 838 G N 1.398 110.169 108.800 -0.048 0.000 3.514 838 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.197 838 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.197 838 G C 0.102 174.962 174.900 -0.067 0.000 1.098 838 G CA 0.133 45.194 45.100 -0.064 0.000 0.884 838 G HN 0.635 nan 8.290 nan 0.000 0.433 839 T N -0.680 113.886 114.554 0.020 0.000 2.912 839 T HA 0.710 5.060 4.350 -0.001 0.000 0.280 839 T C -0.316 174.531 174.700 0.245 0.000 0.989 839 T CA 0.218 62.397 62.100 0.133 0.000 0.995 839 T CB 2.165 71.103 68.868 0.116 0.000 1.077 839 T HN 1.693 nan 8.240 nan 0.000 0.531 840 W N -0.974 120.239 121.300 -0.146 0.000 3.173 840 W HA 0.645 5.304 4.660 -0.001 0.000 0.313 840 W C -1.646 174.691 176.519 -0.304 0.000 1.228 840 W CA -1.382 55.876 57.345 -0.146 0.000 1.185 840 W CB 0.558 29.985 29.460 -0.056 0.000 1.390 840 W HN 0.844 nan 8.180 nan 0.000 0.568 841 S N 0.983 116.615 115.700 -0.114 0.000 2.509 841 S HA 0.772 5.242 4.470 -0.001 0.000 0.297 841 S C -0.446 174.097 174.600 -0.095 0.000 1.118 841 S CA -0.007 58.123 58.200 -0.117 0.000 1.074 841 S CB 0.805 64.015 63.200 0.017 0.000 1.038 841 S HN 0.735 nan 8.310 nan 0.000 0.498 842 T N 1.655 116.266 114.554 0.095 0.000 2.963 842 T HA 0.500 4.850 4.350 -0.001 0.000 0.343 842 T C 0.107 174.918 174.700 0.184 0.000 1.146 842 T CA -0.761 61.433 62.100 0.158 0.000 1.016 842 T CB 0.218 69.266 68.868 0.301 0.000 1.046 842 T HN 0.622 nan 8.240 nan 0.000 0.496 843 S N 1.397 117.149 115.700 0.085 0.000 2.585 843 S HA 0.521 4.990 4.470 -0.001 0.000 0.273 843 S C 0.017 174.625 174.600 0.013 0.000 1.339 843 S CA -0.758 57.471 58.200 0.047 0.000 1.028 843 S CB 0.427 63.647 63.200 0.034 0.000 0.906 843 S HN 0.852 nan 8.310 nan 0.000 0.528 844 c N 2.946 121.528 118.600 -0.030 0.000 3.171 844 c HA 0.415 4.985 4.570 -0.001 0.000 0.336 844 c C 0.096 174.113 174.090 -0.122 0.000 1.035 844 c CA -0.887 55.386 56.329 -0.094 0.000 1.361 844 c CB -0.367 42.057 42.510 -0.142 0.000 1.804 844 c HN 1.042 nan 8.230 nan 0.000 0.535 845 R N 2.058 122.509 120.500 -0.082 0.000 2.267 845 R HA 0.544 4.884 4.340 -0.001 0.000 0.319 845 R C -0.395 175.833 176.300 -0.120 0.000 1.067 845 R CA -0.308 55.747 56.100 -0.075 0.000 0.936 845 R CB 0.621 30.915 30.300 -0.009 0.000 1.006 845 R HN 0.684 nan 8.270 nan 0.000 0.452 846 I N 4.453 124.918 120.570 -0.177 0.000 2.849 846 I HA -0.183 3.986 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 0.113 61.281 61.300 -0.220 0.000 1.394 846 I CB -0.392 37.445 38.000 -0.273 0.000 1.462 846 I HN 0.789 nan 8.210 nan 0.000 0.587 847 N N 5.189 123.830 118.700 -0.099 0.000 2.002 847 N HA -0.241 4.499 4.740 -0.001 0.000 0.199 847 N C 0.961 176.501 175.510 0.049 0.000 1.067 847 N CA 1.918 54.984 53.050 0.026 0.000 0.870 847 N CB -0.083 38.519 38.487 0.191 0.000 1.073 847 N HN 0.722 nan 8.380 nan 0.000 0.432 848 H N -1.022 118.094 119.070 0.078 0.000 2.351 848 H HA 0.589 5.145 4.556 -0.001 0.000 0.232 848 H C -0.776 174.575 175.328 0.038 0.000 1.452 848 H CA -0.889 55.190 56.048 0.052 0.000 1.236 848 H CB -0.376 29.401 29.762 0.025 0.000 1.579 848 H HN 0.203 nan 8.280 nan 0.000 0.535 849 L N -2.425 118.815 121.223 0.029 0.000 3.172 849 L HA 0.445 4.785 4.340 -0.001 0.000 0.278 849 L C -1.604 175.274 176.870 0.013 0.000 0.979 849 L CA -1.250 53.617 54.840 0.046 0.000 1.017 849 L CB 0.673 42.755 42.059 0.038 0.000 1.540 849 L HN 0.116 nan 8.230 nan 0.000 0.392 850 I N 0.881 121.446 120.570 -0.008 0.000 2.566 850 I HA 0.457 4.627 4.170 -0.001 0.000 0.303 850 I C -1.031 175.101 176.117 0.025 0.000 0.983 850 I CA -0.243 61.003 61.300 -0.090 0.000 1.235 850 I CB 1.678 39.517 38.000 -0.267 0.000 1.386 850 I HN 0.617 nan 8.210 nan 0.000 0.494 851 F N 5.273 125.107 119.950 -0.193 0.000 2.359 851 F HA 0.474 5.001 4.527 -0.000 0.000 0.369 851 F C 0.072 175.797 175.800 -0.125 0.000 1.084 851 F CA -0.713 57.215 58.000 -0.118 0.000 1.096 851 F CB 0.307 39.262 39.000 -0.075 0.000 1.335 851 F HN 0.432 nan 8.300 nan 0.000 0.457 852 R N 3.089 123.499 120.500 -0.149 0.000 2.643 852 R HA 0.634 4.973 4.340 -0.001 0.000 0.272 852 R C 0.588 176.725 176.300 -0.272 0.000 0.995 852 R CA -0.037 55.931 56.100 -0.221 0.000 1.032 852 R CB 1.405 31.628 30.300 -0.128 0.000 1.126 852 R HN 0.837 nan 8.270 nan 0.000 0.505 853 G N 0.422 109.101 108.800 -0.202 0.000 2.606 853 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.285 853 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.285 853 G C 0.575 175.360 174.900 -0.191 0.000 1.311 853 G CA -0.086 44.924 45.100 -0.150 0.000 0.922 853 G HN 0.792 nan 8.290 nan 0.000 0.559 854 G N 0.074 108.813 108.800 -0.103 0.000 3.332 854 G HA2 0.597 4.557 3.960 -0.001 0.000 0.242 854 G HA3 0.597 4.557 3.960 -0.001 0.000 0.242 854 G C 0.720 175.607 174.900 -0.023 0.000 1.276 854 G CA 1.303 46.366 45.100 -0.062 0.000 0.988 854 G HN 1.765 nan 8.290 nan 0.000 0.517 855 A N 0.482 123.256 122.820 -0.077 0.000 2.440 855 A HA 0.559 4.879 4.320 -0.001 0.000 0.251 855 A C 0.463 178.161 177.584 0.190 0.000 1.089 855 A CA -0.413 51.651 52.037 0.045 0.000 0.779 855 A CB 0.326 19.367 19.000 0.068 0.000 1.022 855 A HN 0.583 nan 8.150 nan 0.000 0.492 856 Q N 1.317 121.261 119.800 0.240 0.000 2.248 856 Q HA 0.798 5.138 4.340 -0.001 0.000 0.263 856 Q C -0.697 175.414 176.000 0.185 0.000 1.007 856 Q CA -0.739 55.217 55.803 0.255 0.000 0.877 856 Q CB 1.626 30.421 28.738 0.095 0.000 1.315 856 Q HN 0.837 nan 8.270 nan 0.000 0.454 857 I N -1.827 118.770 120.570 0.044 0.000 2.802 857 I HA 0.654 4.824 4.170 -0.001 0.000 0.298 857 I C -1.192 174.870 176.117 -0.091 0.000 1.176 857 I CA -0.844 60.425 61.300 -0.053 0.000 1.025 857 I CB 2.758 40.659 38.000 -0.164 0.000 1.243 857 I HN 0.783 nan 8.210 nan 0.000 0.424 858 T N 2.075 116.601 114.554 -0.047 0.000 2.848 858 T HA 0.783 5.133 4.350 -0.001 0.000 0.285 858 T C -0.738 173.978 174.700 0.027 0.000 0.995 858 T CA -0.533 61.518 62.100 -0.083 0.000 0.970 858 T CB 1.384 70.179 68.868 -0.122 0.000 0.976 858 T HN 0.706 nan 8.240 nan 0.000 0.441 859 F N 1.069 120.957 119.950 -0.105 0.000 2.640 859 F HA 0.851 5.377 4.527 -0.001 0.000 0.324 859 F C -1.691 174.079 175.800 -0.050 0.000 1.077 859 F CA -2.029 55.923 58.000 -0.079 0.000 0.965 859 F CB 1.502 40.447 39.000 -0.091 0.000 1.351 859 F HN 0.665 nan 8.300 nan 0.000 0.487 860 L N 2.156 123.424 121.223 0.076 0.000 2.333 860 L HA 0.868 5.208 4.340 -0.001 0.000 0.280 860 L C -1.100 175.851 176.870 0.135 0.000 1.004 860 L CA -0.761 54.075 54.840 -0.006 0.000 0.820 860 L CB 1.397 43.450 42.059 -0.009 0.000 1.247 860 L HN 1.036 nan 8.230 nan 0.000 0.416 861 A N 3.260 126.139 122.820 0.098 0.000 2.335 861 A HA 0.715 5.035 4.320 -0.001 0.000 0.304 861 A C -0.597 177.100 177.584 0.187 0.000 1.118 861 A CA -0.398 51.785 52.037 0.242 0.000 0.757 861 A CB 1.409 20.508 19.000 0.165 0.000 1.188 861 A HN 0.594 nan 8.150 nan 0.000 0.460 862 T N 2.376 117.002 114.554 0.120 0.000 2.794 862 T HA 0.604 4.953 4.350 -0.001 0.000 0.280 862 T C -1.085 173.516 174.700 -0.164 0.000 0.987 862 T CA 0.181 62.296 62.100 0.024 0.000 0.993 862 T CB 0.182 69.010 68.868 -0.067 0.000 0.939 862 T HN 0.330 nan 8.240 nan 0.000 0.449 863 F N 2.326 122.228 119.950 -0.080 0.000 2.403 863 F HA 0.326 4.853 4.527 -0.001 0.000 0.355 863 F C 0.515 176.250 175.800 -0.108 0.000 1.119 863 F CA -1.364 56.565 58.000 -0.119 0.000 1.007 863 F CB 0.942 39.832 39.000 -0.183 0.000 1.194 863 F HN 0.386 nan 8.300 nan 0.000 0.443 864 D N 2.297 122.702 120.400 0.010 0.000 2.424 864 D HA 0.173 4.813 4.640 -0.001 0.000 0.244 864 D C -0.473 175.859 176.300 0.053 0.000 1.134 864 D CA 0.382 54.388 54.000 0.010 0.000 0.881 864 D CB 1.849 42.636 40.800 -0.022 0.000 1.191 864 D HN 0.255 nan 8.370 nan 0.000 0.445 865 V N 2.086 122.024 119.914 0.040 0.000 2.540 865 V HA 0.315 4.434 4.120 -0.001 0.000 0.302 865 V C -0.074 176.052 176.094 0.053 0.000 1.035 865 V CA -0.645 61.685 62.300 0.050 0.000 0.873 865 V CB 1.871 33.703 31.823 0.015 0.000 0.992 865 V HN 0.692 nan 8.190 nan 0.000 0.428 866 S N 6.523 122.269 115.700 0.076 0.000 2.576 866 S HA 0.359 4.829 4.470 -0.001 0.000 0.276 866 S C -1.796 172.850 174.600 0.077 0.000 1.339 866 S CA -0.652 57.594 58.200 0.077 0.000 1.039 866 S CB 1.138 64.392 63.200 0.091 0.000 0.902 866 S HN 0.669 nan 8.310 nan 0.000 0.516 867 P HA 0.019 nan 4.420 nan 0.000 0.222 867 P C 0.305 177.670 177.300 0.109 0.000 1.147 867 P CA 1.074 64.223 63.100 0.081 0.000 0.790 867 P CB 0.086 31.826 31.700 0.067 0.000 0.780 868 K N 0.002 120.461 120.400 0.099 0.000 3.045 868 K HA 0.452 4.772 4.320 -0.001 0.000 0.214 868 K C -0.642 176.024 176.600 0.111 0.000 1.213 868 K CA -0.569 55.777 56.287 0.100 0.000 1.111 868 K CB -0.230 32.310 32.500 0.067 0.000 1.454 868 K HN -0.137 nan 8.250 nan 0.000 0.498 869 A N 1.983 124.895 122.820 0.154 0.000 2.376 869 A HA 0.241 4.560 4.320 -0.001 0.000 0.298 869 A C -0.115 177.578 177.584 0.181 0.000 1.271 869 A CA -0.496 51.632 52.037 0.152 0.000 0.926 869 A CB 0.288 19.370 19.000 0.137 0.000 1.141 869 A HN 0.284 nan 8.150 nan 0.000 0.539 870 V N 4.764 124.747 119.914 0.115 0.000 2.421 870 V HA 0.361 4.481 4.120 -0.001 0.000 0.271 870 V C -0.092 176.065 176.094 0.105 0.000 1.031 870 V CA 0.441 62.794 62.300 0.088 0.000 1.032 870 V CB -0.710 31.137 31.823 0.040 0.000 1.009 870 V HN 0.837 nan 8.190 nan 0.000 0.477 871 L N 3.573 124.880 121.223 0.140 0.000 2.672 871 L HA 0.882 5.222 4.340 -0.001 0.000 0.256 871 L C 0.162 177.116 176.870 0.140 0.000 0.946 871 L CA -0.441 54.475 54.840 0.126 0.000 0.889 871 L CB 0.868 43.000 42.059 0.121 0.000 1.441 871 L HN 0.511 nan 8.230 nan 0.000 0.418 872 G N 0.334 109.188 108.800 0.090 0.000 2.794 872 G HA2 0.205 4.164 3.960 -0.001 0.000 0.249 872 G HA3 0.205 4.164 3.960 -0.001 0.000 0.249 872 G C 0.458 175.417 174.900 0.097 0.000 1.236 872 G CA 0.440 45.585 45.100 0.075 0.000 0.880 872 G HN 1.091 nan 8.290 nan 0.000 0.586 873 D N -1.324 119.120 120.400 0.072 0.000 2.384 873 D HA -0.077 4.563 4.640 -0.001 0.000 0.222 873 D C 0.852 177.166 176.300 0.023 0.000 0.976 873 D CA 0.834 54.872 54.000 0.063 0.000 0.915 873 D CB 0.089 40.908 40.800 0.032 0.000 0.896 873 D HN 0.391 nan 8.370 nan 0.000 0.523 874 R N -0.338 120.175 120.500 0.023 0.000 2.651 874 R HA 0.580 4.920 4.340 -0.001 0.000 0.278 874 R C -1.150 175.159 176.300 0.016 0.000 1.010 874 R CA -1.077 55.026 56.100 0.006 0.000 0.896 874 R CB 2.020 32.325 30.300 0.009 0.000 1.211 874 R HN 0.059 nan 8.270 nan 0.000 0.456 875 L N 0.758 121.983 121.223 0.004 0.000 2.381 875 L HA 0.645 4.985 4.340 -0.001 0.000 0.274 875 L C -0.891 175.999 176.870 0.034 0.000 0.988 875 L CA -0.937 53.915 54.840 0.020 0.000 0.824 875 L CB 1.450 43.510 42.059 0.001 0.000 1.263 875 L HN 0.525 nan 8.230 nan 0.000 0.410 876 L N 2.881 124.138 121.223 0.057 0.000 2.332 876 L HA 1.011 5.351 4.340 -0.001 0.000 0.269 876 L C -0.820 176.114 176.870 0.107 0.000 1.016 876 L CA -0.913 53.974 54.840 0.078 0.000 0.809 876 L CB 1.711 43.805 42.059 0.059 0.000 1.280 876 L HN 0.815 nan 8.230 nan 0.000 0.447 877 L N -1.669 119.645 121.223 0.152 0.000 2.591 877 L HA 0.921 5.261 4.340 -0.001 0.000 0.257 877 L C -0.272 176.772 176.870 0.290 0.000 0.935 877 L CA -0.125 54.823 54.840 0.181 0.000 0.873 877 L CB 1.416 43.537 42.059 0.104 0.000 1.397 877 L HN 1.005 nan 8.230 nan 0.000 0.414 878 T N -0.931 113.794 114.554 0.285 0.000 2.841 878 T HA 0.976 5.326 4.350 -0.001 0.000 0.276 878 T C -0.311 174.638 174.700 0.416 0.000 1.003 878 T CA -0.371 61.928 62.100 0.331 0.000 0.995 878 T CB 1.889 70.864 68.868 0.178 0.000 1.260 878 T HN 1.818 nan 8.240 nan 0.000 0.581 879 A N 1.837 124.864 122.820 0.345 0.000 2.768 879 A HA 0.569 4.888 4.320 -0.001 0.000 0.298 879 A C -0.799 176.822 177.584 0.062 0.000 1.159 879 A CA -0.883 51.218 52.037 0.107 0.000 0.783 879 A CB -0.052 19.118 19.000 0.283 0.000 1.333 879 A HN 0.682 nan 8.150 nan 0.000 0.412 880 N N 0.478 119.176 118.700 -0.004 0.000 2.497 880 N HA 0.362 5.102 4.740 -0.001 0.000 0.268 880 N C -0.552 174.947 175.510 -0.017 0.000 1.171 880 N CA 0.150 53.209 53.050 0.017 0.000 0.948 880 N CB 1.761 40.259 38.487 0.018 0.000 1.069 880 N HN 0.469 nan 8.380 nan 0.000 0.460 881 V N 1.425 121.360 119.914 0.034 0.000 2.588 881 V HA 0.801 4.921 4.120 -0.001 0.000 0.304 881 V C -0.612 175.523 176.094 0.069 0.000 1.042 881 V CA -0.229 62.096 62.300 0.041 0.000 0.877 881 V CB 1.307 33.174 31.823 0.073 0.000 0.996 881 V HN 0.921 nan 8.190 nan 0.000 0.425 882 S N 3.890 119.630 115.700 0.067 0.000 2.688 882 S HA 0.737 5.207 4.470 -0.001 0.000 0.275 882 S C -0.362 174.294 174.600 0.093 0.000 1.175 882 S CA -0.087 58.160 58.200 0.078 0.000 0.818 882 S CB 1.620 64.857 63.200 0.062 0.000 1.157 882 S HN 1.605 nan 8.310 nan 0.000 0.482 883 S N -0.373 115.386 115.700 0.099 0.000 2.707 883 S HA 0.426 4.896 4.470 -0.001 0.000 0.276 883 S C 0.927 175.594 174.600 0.111 0.000 1.179 883 S CA -0.092 58.179 58.200 0.119 0.000 0.992 883 S CB 0.771 64.046 63.200 0.126 0.000 1.030 883 S HN 0.960 nan 8.310 nan 0.000 0.554 884 E N 0.597 120.878 120.200 0.136 0.000 2.153 884 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 884 E C 0.277 176.943 176.600 0.110 0.000 0.988 884 E CA 1.021 57.498 56.400 0.128 0.000 0.811 884 E CB -0.292 29.504 29.700 0.161 0.000 0.746 884 E HN 0.595 nan 8.360 nan 0.000 0.466 885 N N 2.031 120.794 118.700 0.106 0.000 2.441 885 N HA 0.003 4.743 4.740 -0.001 0.000 0.225 885 N C -0.592 174.956 175.510 0.063 0.000 1.208 885 N CA 0.132 53.229 53.050 0.079 0.000 0.847 885 N CB -0.358 38.173 38.487 0.072 0.000 1.121 885 N HN 0.193 nan 8.380 nan 0.000 0.479 886 N N -0.556 118.185 118.700 0.068 0.000 5.925 886 N HA -0.188 4.552 4.740 -0.001 0.000 0.361 886 N C -0.333 175.207 175.510 0.051 0.000 0.922 886 N CA 1.308 54.393 53.050 0.058 0.000 1.177 886 N CB -0.877 37.640 38.487 0.051 0.000 0.806 886 N HN 0.342 nan 8.380 nan 0.000 0.456 887 T N -2.335 112.245 114.554 0.043 0.000 3.042 887 T HA 0.583 4.933 4.350 -0.001 0.000 0.356 887 T C -1.942 172.774 174.700 0.028 0.000 1.233 887 T CA -1.282 60.840 62.100 0.038 0.000 1.038 887 T CB 1.482 70.373 68.868 0.038 0.000 1.089 887 T HN 0.207 nan 8.240 nan 0.000 0.531 888 P HA 0.115 nan 4.420 nan 0.000 0.230 888 P C 0.615 177.921 177.300 0.010 0.000 1.158 888 P CA 0.508 63.617 63.100 0.014 0.000 0.769 888 P CB 0.384 32.089 31.700 0.009 0.000 0.807 889 R N -2.902 117.605 120.500 0.012 0.000 3.404 889 R HA 0.416 4.756 4.340 -0.001 0.000 0.243 889 R C 0.973 177.280 176.300 0.012 0.000 1.474 889 R CA -0.508 55.597 56.100 0.008 0.000 1.018 889 R CB -0.233 30.069 30.300 0.003 0.000 1.568 889 R HN -0.361 nan 8.270 nan 0.000 0.498 890 T N 0.194 114.754 114.554 0.009 0.000 2.815 890 T HA -0.011 4.339 4.350 -0.001 0.000 0.244 890 T C 0.719 175.427 174.700 0.013 0.000 1.040 890 T CA 0.779 62.884 62.100 0.009 0.000 1.176 890 T CB -0.113 68.758 68.868 0.005 0.000 0.880 890 T HN 0.320 nan 8.240 nan 0.000 0.414 891 S N 2.560 118.268 115.700 0.014 0.000 2.430 891 S HA 0.295 4.765 4.470 -0.001 0.000 0.289 891 S C -0.268 174.348 174.600 0.027 0.000 1.143 891 S CA -0.843 57.368 58.200 0.018 0.000 1.067 891 S CB 0.010 63.218 63.200 0.014 0.000 0.964 891 S HN 0.050 nan 8.310 nan 0.000 0.485 892 K N 2.845 123.264 120.400 0.032 0.000 2.319 892 K HA 0.080 4.399 4.320 -0.001 0.000 0.265 892 K C 0.648 177.280 176.600 0.055 0.000 1.000 892 K CA -0.005 56.308 56.287 0.043 0.000 0.943 892 K CB 0.478 33.004 32.500 0.043 0.000 0.950 892 K HN 0.595 nan 8.250 nan 0.000 0.485 893 T N 1.325 115.922 114.554 0.071 0.000 3.315 893 T HA 0.098 4.448 4.350 -0.001 0.000 0.275 893 T C -0.313 174.463 174.700 0.127 0.000 1.598 893 T CA -0.585 61.572 62.100 0.096 0.000 1.368 893 T CB -0.673 68.259 68.868 0.106 0.000 1.079 893 T HN 0.589 nan 8.240 nan 0.000 0.703 894 T N 0.607 115.231 114.554 0.117 0.000 2.889 894 T HA 0.608 4.957 4.350 -0.001 0.000 0.291 894 T C -0.594 174.221 174.700 0.191 0.000 0.995 894 T CA -0.786 61.398 62.100 0.139 0.000 1.092 894 T CB 0.954 69.879 68.868 0.094 0.000 0.954 894 T HN 0.332 nan 8.240 nan 0.000 0.506 895 F N 3.631 123.624 119.950 0.071 0.000 2.499 895 F HA 0.464 4.991 4.527 -0.001 0.000 0.333 895 F C -0.352 175.476 175.800 0.046 0.000 1.138 895 F CA -0.719 57.286 58.000 0.008 0.000 0.945 895 F CB 1.639 40.591 39.000 -0.079 0.000 1.181 895 F HN 0.911 nan 8.300 nan 0.000 0.435 896 Q N 5.876 125.236 119.800 -0.733 0.000 2.458 896 Q HA 0.841 5.181 4.340 -0.001 0.000 0.282 896 Q C -2.032 173.568 176.000 -0.667 0.000 1.106 896 Q CA -1.272 54.270 55.803 -0.435 0.000 0.814 896 Q CB 3.103 31.758 28.738 -0.137 0.000 1.425 896 Q HN 0.772 nan 8.270 nan 0.000 0.437 897 L N -2.666 118.432 121.223 -0.208 0.000 2.545 897 L HA 0.644 4.984 4.340 -0.001 0.000 0.258 897 L C -1.347 175.560 176.870 0.062 0.000 0.942 897 L CA -0.745 54.036 54.840 -0.098 0.000 0.855 897 L CB 2.308 44.331 42.059 -0.059 0.000 1.374 897 L HN 0.848 nan 8.230 nan 0.000 0.411 898 E N 2.077 122.298 120.200 0.035 0.000 2.171 898 E HA 0.755 5.104 4.350 -0.001 0.000 0.271 898 E C -1.636 174.990 176.600 0.043 0.000 0.916 898 E CA -0.718 55.708 56.400 0.042 0.000 0.774 898 E CB 1.749 31.459 29.700 0.017 0.000 1.128 898 E HN 0.756 nan 8.360 nan 0.000 0.403 899 L N 5.346 126.587 121.223 0.030 0.000 2.346 899 L HA 0.486 4.825 4.340 -0.001 0.000 0.276 899 L C -2.309 174.546 176.870 -0.025 0.000 1.006 899 L CA -2.437 52.404 54.840 0.001 0.000 0.817 899 L CB 1.969 44.006 42.059 -0.036 0.000 1.272 899 L HN 0.429 nan 8.230 nan 0.000 0.421 900 P HA 0.033 nan 4.420 nan 0.000 0.267 900 P C -0.867 176.382 177.300 -0.084 0.000 1.209 900 P CA 0.070 63.145 63.100 -0.042 0.000 0.763 900 P CB 0.978 32.660 31.700 -0.030 0.000 0.816 901 V N 4.915 124.766 119.914 -0.106 0.000 2.513 901 V HA 0.393 4.512 4.120 -0.001 0.000 0.299 901 V C -0.071 175.863 176.094 -0.266 0.000 1.035 901 V CA -0.410 61.761 62.300 -0.214 0.000 0.889 901 V CB 1.277 32.951 31.823 -0.247 0.000 0.988 901 V HN 0.460 nan 8.190 nan 0.000 0.440 902 K N 4.622 124.807 120.400 -0.357 0.000 2.246 902 K HA 0.688 5.008 4.320 -0.001 0.000 0.239 902 K C -1.900 174.349 176.600 -0.585 0.000 1.089 902 K CA -0.770 55.342 56.287 -0.291 0.000 0.892 902 K CB 1.994 34.450 32.500 -0.074 0.000 1.334 902 K HN 0.559 nan 8.250 nan 0.000 0.507 903 Y N -0.571 119.751 120.300 0.036 0.000 2.513 903 Y HA 0.397 4.947 4.550 -0.001 0.000 0.340 903 Y C -0.645 175.343 175.900 0.147 0.000 1.055 903 Y CA -1.149 57.005 58.100 0.090 0.000 1.020 903 Y CB 2.017 40.545 38.460 0.114 0.000 1.301 903 Y HN 0.673 nan 8.280 nan 0.000 0.453 904 A N 1.899 124.871 122.820 0.254 0.000 2.371 904 A HA 0.747 5.067 4.320 -0.001 0.000 0.257 904 A C -0.861 176.829 177.584 0.176 0.000 1.089 904 A CA -0.248 51.899 52.037 0.183 0.000 0.794 904 A CB 0.320 19.400 19.000 0.132 0.000 1.029 904 A HN 0.529 nan 8.150 nan 0.000 0.488 905 V N 1.389 121.381 119.914 0.129 0.000 2.969 905 V HA 0.266 4.386 4.120 -0.001 0.000 0.304 905 V C -1.518 174.628 176.094 0.087 0.000 1.192 905 V CA -0.415 61.913 62.300 0.047 0.000 0.962 905 V CB 2.001 33.743 31.823 -0.134 0.000 1.045 905 V HN 0.835 nan 8.190 nan 0.000 0.428 906 Y N 2.104 122.383 120.300 -0.035 0.000 2.402 906 Y HA 0.610 5.160 4.550 -0.000 0.000 0.332 906 Y C 0.155 176.062 175.900 0.012 0.000 0.960 906 Y CA -0.090 58.011 58.100 0.001 0.000 1.228 906 Y CB 1.501 39.973 38.460 0.019 0.000 1.120 906 Y HN 0.673 nan 8.280 nan 0.000 0.491 907 T N 5.808 120.264 114.554 -0.164 0.000 2.864 907 T HA 0.524 4.873 4.350 -0.001 0.000 0.310 907 T C -0.875 173.793 174.700 -0.053 0.000 1.040 907 T CA -0.548 61.519 62.100 -0.054 0.000 0.977 907 T CB 0.669 69.478 68.868 -0.097 0.000 0.976 907 T HN 0.292 nan 8.240 nan 0.000 0.459 908 V N 3.138 123.071 119.914 0.032 0.000 2.864 908 V HA 0.836 4.956 4.120 -0.001 0.000 0.314 908 V C -0.612 175.530 176.094 0.079 0.000 1.073 908 V CA -0.831 61.522 62.300 0.088 0.000 0.956 908 V CB 2.337 34.275 31.823 0.192 0.000 1.023 908 V HN 0.620 nan 8.190 nan 0.000 0.435 909 V N 2.296 122.242 119.914 0.053 0.000 2.777 909 V HA 0.765 4.884 4.120 -0.001 0.000 0.306 909 V C -0.632 175.485 176.094 0.039 0.000 1.112 909 V CA 0.119 62.437 62.300 0.030 0.000 0.917 909 V CB 2.418 34.231 31.823 -0.015 0.000 1.018 909 V HN 0.993 nan 8.190 nan 0.000 0.426 910 S N 3.525 119.270 115.700 0.076 0.000 2.677 910 S HA 0.664 5.134 4.470 -0.001 0.000 0.304 910 S C -0.523 174.191 174.600 0.191 0.000 1.108 910 S CA -0.110 58.139 58.200 0.082 0.000 0.944 910 S CB 2.002 65.220 63.200 0.029 0.000 1.127 910 S HN 1.165 nan 8.310 nan 0.000 0.511 911 S N 1.917 117.688 115.700 0.118 0.000 2.466 911 S HA 0.266 4.735 4.470 -0.001 0.000 0.313 911 S C -0.144 174.461 174.600 0.009 0.000 1.078 911 S CA -0.499 57.693 58.200 -0.014 0.000 1.115 911 S CB -0.636 62.505 63.200 -0.100 0.000 1.006 911 S HN 0.793 nan 8.310 nan 0.000 0.487 912 H N 3.096 122.118 119.070 -0.079 0.000 3.092 912 H HA -0.028 4.527 4.556 -0.001 0.000 0.332 912 H C 1.342 176.671 175.328 0.002 0.000 1.029 912 H CA 0.863 56.894 56.048 -0.029 0.000 1.376 912 H CB 0.703 30.453 29.762 -0.021 0.000 1.329 912 H HN 0.826 nan 8.280 nan 0.000 0.598 913 E N 3.217 123.322 120.200 -0.157 0.000 2.485 913 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 913 E C -0.041 176.446 176.600 -0.188 0.000 1.098 913 E CA 0.199 56.539 56.400 -0.101 0.000 0.878 913 E CB 0.065 29.731 29.700 -0.057 0.000 0.939 913 E HN 0.630 nan 8.360 nan 0.000 0.503 914 Q N 1.254 120.837 119.800 -0.360 0.000 3.122 914 Q HA 0.170 4.510 4.340 -0.001 0.000 0.360 914 Q C -1.131 174.827 176.000 -0.071 0.000 1.300 914 Q CA -0.371 55.298 55.803 -0.224 0.000 0.982 914 Q CB -0.274 28.319 28.738 -0.242 0.000 1.534 914 Q HN 0.341 nan 8.270 nan 0.000 0.474 915 F N -1.210 118.629 119.950 -0.185 0.000 2.495 915 F HA 0.401 4.928 4.527 -0.001 0.000 0.327 915 F C -0.285 175.415 175.800 -0.167 0.000 1.103 915 F CA -0.810 57.066 58.000 -0.207 0.000 0.949 915 F CB 1.529 40.411 39.000 -0.197 0.000 1.142 915 F HN -0.212 nan 8.300 nan 0.000 0.457 916 T N 5.346 119.552 114.554 -0.580 0.000 2.992 916 T HA 0.144 4.494 4.350 -0.001 0.000 0.299 916 T C -0.160 174.181 174.700 -0.599 0.000 1.027 916 T CA -0.286 61.522 62.100 -0.486 0.000 1.001 916 T CB -0.456 68.317 68.868 -0.158 0.000 1.005 916 T HN 0.570 nan 8.240 nan 0.000 0.599 917 K N 3.065 122.956 120.400 -0.848 0.000 2.300 917 K HA 0.245 4.565 4.320 -0.001 0.000 0.264 917 K C 0.047 176.513 176.600 -0.224 0.000 1.083 917 K CA -0.675 55.319 56.287 -0.487 0.000 0.958 917 K CB 0.218 32.423 32.500 -0.491 0.000 1.318 917 K HN 0.724 nan 8.250 nan 0.000 0.448 918 Y N 3.470 123.658 120.300 -0.187 0.000 2.500 918 Y HA 0.209 4.759 4.550 -0.001 0.000 0.246 918 Y C 0.001 175.806 175.900 -0.159 0.000 1.146 918 Y CA -1.137 56.878 58.100 -0.141 0.000 1.230 918 Y CB -0.455 37.964 38.460 -0.069 0.000 1.214 918 Y HN 0.290 nan 8.280 nan 0.000 0.526 919 L N 2.509 123.365 121.223 -0.612 0.000 2.640 919 L HA 0.114 4.454 4.340 -0.001 0.000 0.300 919 L C -0.275 176.416 176.870 -0.298 0.000 1.259 919 L CA 0.044 54.575 54.840 -0.514 0.000 0.879 919 L CB -0.043 41.762 42.059 -0.422 0.000 1.125 919 L HN 0.616 nan 8.230 nan 0.000 0.507 920 N N 1.111 119.651 118.700 -0.267 0.000 3.265 920 N HA 0.160 4.900 4.740 -0.001 0.000 0.235 920 N C -0.138 175.242 175.510 -0.218 0.000 1.343 920 N CA -0.708 52.160 53.050 -0.302 0.000 0.904 920 N CB -0.002 38.430 38.487 -0.091 0.000 1.492 920 N HN 0.431 nan 8.380 nan 0.000 0.504 921 F N 0.738 120.700 119.950 0.020 0.000 2.451 921 F HA -0.006 4.520 4.527 -0.001 0.000 0.299 921 F C 1.630 177.443 175.800 0.021 0.000 1.101 921 F CA 0.784 58.811 58.000 0.046 0.000 1.436 921 F CB -0.243 38.791 39.000 0.057 0.000 1.074 921 F HN 0.530 nan 8.300 nan 0.000 0.553 922 S N 0.839 116.623 115.700 0.140 0.000 2.686 922 S HA 0.161 4.631 4.470 -0.001 0.000 0.324 922 S C -0.049 174.535 174.600 -0.026 0.000 1.172 922 S CA -0.378 57.852 58.200 0.049 0.000 1.127 922 S CB 0.153 63.362 63.200 0.016 0.000 1.338 922 S HN 0.318 nan 8.310 nan 0.000 0.547 923 E N 2.481 122.667 120.200 -0.023 0.000 3.132 923 E HA 0.290 4.639 4.350 -0.001 0.000 0.241 923 E C 0.625 177.177 176.600 -0.081 0.000 1.196 923 E CA -0.194 56.161 56.400 -0.076 0.000 0.869 923 E CB 0.321 30.005 29.700 -0.028 0.000 1.387 923 E HN 0.616 nan 8.360 nan 0.000 0.393 924 S N 1.587 117.230 115.700 -0.094 0.000 2.387 924 S HA 0.183 4.653 4.470 -0.001 0.000 0.221 924 S C 0.617 175.170 174.600 -0.078 0.000 1.041 924 S CA 0.126 58.280 58.200 -0.077 0.000 0.959 924 S CB 0.112 63.273 63.200 -0.066 0.000 0.843 924 S HN 0.252 nan 8.310 nan 0.000 0.488 925 E N 0.840 120.981 120.200 -0.099 0.000 2.412 925 E HA 0.529 4.879 4.350 -0.001 0.000 0.255 925 E C -1.210 175.334 176.600 -0.094 0.000 0.933 925 E CA -0.700 55.653 56.400 -0.078 0.000 0.823 925 E CB 0.806 30.468 29.700 -0.064 0.000 1.352 925 E HN 0.298 nan 8.360 nan 0.000 0.406 926 E N 1.005 121.182 120.200 -0.038 0.000 2.079 926 E HA 0.215 4.565 4.350 -0.001 0.000 0.252 926 E C -0.632 175.993 176.600 0.041 0.000 0.992 926 E CA -0.207 56.205 56.400 0.019 0.000 0.829 926 E CB 0.706 30.439 29.700 0.056 0.000 1.158 926 E HN 0.188 nan 8.360 nan 0.000 0.435 927 K N 1.171 121.561 120.400 -0.016 0.000 2.836 927 K HA 0.187 4.507 4.320 -0.001 0.000 0.300 927 K C 1.060 177.828 176.600 0.279 0.000 1.004 927 K CA -0.288 56.024 56.287 0.040 0.000 1.140 927 K CB 0.611 33.040 32.500 -0.118 0.000 1.458 927 K HN 0.350 nan 8.250 nan 0.000 0.550 928 E N -0.924 119.446 120.200 0.283 0.000 3.203 928 E HA 0.052 4.401 4.350 -0.001 0.000 0.200 928 E C 0.101 176.905 176.600 0.339 0.000 1.089 928 E CA -0.330 56.255 56.400 0.310 0.000 1.430 928 E CB 0.430 30.239 29.700 0.182 0.000 1.328 928 E HN 0.165 nan 8.360 nan 0.000 0.580 929 S N 0.515 116.373 115.700 0.263 0.000 2.567 929 S HA 0.156 4.625 4.470 -0.001 0.000 0.262 929 S C -0.828 173.895 174.600 0.204 0.000 1.237 929 S CA -0.638 57.678 58.200 0.194 0.000 1.093 929 S CB 0.048 63.312 63.200 0.107 0.000 1.095 929 S HN 0.433 nan 8.310 nan 0.000 0.489 930 H N 4.443 123.585 119.070 0.119 0.000 2.528 930 H HA 0.197 4.753 4.556 -0.001 0.000 0.256 930 H C 0.327 175.584 175.328 -0.118 0.000 1.204 930 H CA -0.271 55.749 56.048 -0.047 0.000 0.955 930 H CB 0.399 30.075 29.762 -0.144 0.000 1.817 930 H HN 0.517 nan 8.280 nan 0.000 0.579 931 V N 1.841 121.744 119.914 -0.019 0.000 2.971 931 V HA -0.106 4.013 4.120 -0.001 0.000 0.289 931 V C 0.170 176.274 176.094 0.016 0.000 1.298 931 V CA 0.916 63.252 62.300 0.060 0.000 1.374 931 V CB -0.538 31.309 31.823 0.040 0.000 0.823 931 V HN 0.612 nan 8.190 nan 0.000 0.473 932 A N 7.794 130.718 122.820 0.173 0.000 2.271 932 A HA 0.822 5.142 4.320 -0.001 0.000 0.288 932 A C -0.084 177.607 177.584 0.179 0.000 1.094 932 A CA -0.639 51.458 52.037 0.100 0.000 0.828 932 A CB 1.011 20.024 19.000 0.023 0.000 1.091 932 A HN 1.107 nan 8.150 nan 0.000 0.493 933 M N 1.916 121.520 119.600 0.006 0.000 2.090 933 M HA 0.254 4.734 4.480 -0.001 0.000 0.277 933 M C -1.469 174.786 176.300 -0.075 0.000 0.935 933 M CA -0.097 55.223 55.300 0.032 0.000 0.966 933 M CB 1.131 33.726 32.600 -0.008 0.000 1.635 933 M HN 0.808 nan 8.290 nan 0.000 0.446 934 H N 3.710 122.850 119.070 0.117 0.000 2.724 934 H HA 0.296 4.852 4.556 -0.000 0.000 0.278 934 H C -0.596 174.672 175.328 -0.101 0.000 1.159 934 H CA -0.317 55.731 56.048 0.001 0.000 1.254 934 H CB 0.880 30.668 29.762 0.045 0.000 1.412 934 H HN 0.535 nan 8.280 nan 0.000 0.488 935 R N 3.724 124.198 120.500 -0.044 0.000 2.254 935 R HA 0.224 4.564 4.340 -0.001 0.000 0.318 935 R C -1.280 174.953 176.300 -0.111 0.000 1.031 935 R CA -0.472 55.636 56.100 0.014 0.000 0.905 935 R CB 0.531 30.905 30.300 0.125 0.000 1.050 935 R HN 0.454 nan 8.270 nan 0.000 0.456 936 Y N 2.576 122.941 120.300 0.109 0.000 2.341 936 Y HA 0.255 4.805 4.550 -0.001 0.000 0.338 936 Y C -0.011 175.828 175.900 -0.101 0.000 0.965 936 Y CA -0.636 57.500 58.100 0.059 0.000 1.108 936 Y CB 2.220 40.781 38.460 0.168 0.000 1.180 936 Y HN 0.402 nan 8.280 nan 0.000 0.458 937 Q N 2.555 122.391 119.800 0.060 0.000 2.312 937 Q HA 0.679 5.018 4.340 -0.001 0.000 0.263 937 Q C -1.410 174.564 176.000 -0.044 0.000 0.995 937 Q CA -0.952 54.807 55.803 -0.073 0.000 0.853 937 Q CB 3.256 31.919 28.738 -0.125 0.000 1.300 937 Q HN 0.512 nan 8.270 nan 0.000 0.448 938 V N 2.606 122.474 119.914 -0.076 0.000 3.078 938 V HA 0.720 4.840 4.120 -0.001 0.000 0.311 938 V C -1.932 174.251 176.094 0.148 0.000 1.138 938 V CA -0.428 61.864 62.300 -0.012 0.000 1.007 938 V CB 2.447 34.182 31.823 -0.146 0.000 1.045 938 V HN 1.067 nan 8.190 nan 0.000 0.432 939 N N 1.907 120.760 118.700 0.256 0.000 3.049 939 N HA 0.326 5.066 4.740 -0.001 0.000 0.244 939 N C -2.079 173.631 175.510 0.333 0.000 1.203 939 N CA -0.752 52.511 53.050 0.355 0.000 0.945 939 N CB 1.020 39.600 38.487 0.154 0.000 1.616 939 N HN 0.646 nan 8.380 nan 0.000 0.505 940 N N 1.109 119.942 118.700 0.222 0.000 2.407 940 N HA 0.315 5.055 4.740 -0.001 0.000 0.277 940 N C -0.911 174.657 175.510 0.097 0.000 0.995 940 N CA -0.657 52.505 53.050 0.185 0.000 0.903 940 N CB 1.328 39.911 38.487 0.161 0.000 1.218 940 N HN 0.523 nan 8.380 nan 0.000 0.487 941 L N 1.629 122.996 121.223 0.239 0.000 2.688 941 L HA 0.326 4.666 4.340 -0.001 0.000 0.234 941 L C 1.650 178.575 176.870 0.091 0.000 1.192 941 L CA -0.099 54.819 54.840 0.131 0.000 0.984 941 L CB -0.523 41.570 42.059 0.057 0.000 1.232 941 L HN 0.776 nan 8.230 nan 0.000 0.465 942 G N -0.402 108.463 108.800 0.107 0.000 2.447 942 G HA2 0.131 4.090 3.960 -0.001 0.000 0.269 942 G HA3 0.131 4.090 3.960 -0.001 0.000 0.269 942 G C 0.365 175.275 174.900 0.016 0.000 1.455 942 G CA -0.196 44.944 45.100 0.066 0.000 1.061 942 G HN 0.424 nan 8.290 nan 0.000 0.545 943 Q N -1.032 118.772 119.800 0.006 0.000 2.038 943 Q HA 0.260 4.600 4.340 -0.001 0.000 0.240 943 Q C -0.259 175.728 176.000 -0.022 0.000 0.831 943 Q CA -0.040 55.762 55.803 -0.003 0.000 1.068 943 Q CB 1.428 30.181 28.738 0.025 0.000 1.241 943 Q HN 0.348 nan 8.270 nan 0.000 0.435 944 R N 0.634 121.103 120.500 -0.052 0.000 2.566 944 R HA 0.235 4.575 4.340 -0.001 0.000 0.271 944 R C -1.691 174.531 176.300 -0.128 0.000 1.071 944 R CA -0.804 55.255 56.100 -0.069 0.000 0.915 944 R CB 1.613 31.898 30.300 -0.026 0.000 1.228 944 R HN 0.027 nan 8.270 nan 0.000 0.449 945 D N 3.598 123.930 120.400 -0.114 0.000 2.417 945 D HA 0.277 4.917 4.640 -0.001 0.000 0.250 945 D C -0.475 175.739 176.300 -0.142 0.000 1.166 945 D CA 0.248 54.173 54.000 -0.125 0.000 0.881 945 D CB 0.701 41.450 40.800 -0.085 0.000 1.164 945 D HN 0.274 nan 8.370 nan 0.000 0.467 946 L N 0.141 121.251 121.223 -0.189 0.000 2.543 946 L HA 0.566 4.905 4.340 -0.001 0.000 0.265 946 L C -3.025 173.765 176.870 -0.135 0.000 0.945 946 L CA -2.097 52.549 54.840 -0.324 0.000 0.869 946 L CB 1.948 43.455 42.059 -0.920 0.000 1.294 946 L HN -0.035 nan 8.230 nan 0.000 0.405 947 P HA 0.284 nan 4.420 nan 0.000 0.266 947 P C -0.517 176.802 177.300 0.033 0.000 1.193 947 P CA -0.107 63.016 63.100 0.038 0.000 0.770 947 P CB 0.968 32.713 31.700 0.075 0.000 0.836 948 V N -1.235 118.697 119.914 0.030 0.000 3.165 948 V HA 0.875 4.995 4.120 -0.001 0.000 0.309 948 V C -0.876 175.212 176.094 -0.010 0.000 1.267 948 V CA -0.908 61.408 62.300 0.026 0.000 1.067 948 V CB 2.043 33.818 31.823 -0.080 0.000 1.082 948 V HN 0.469 nan 8.190 nan 0.000 0.451 949 S N 0.403 116.088 115.700 -0.025 0.000 2.706 949 S HA 0.624 5.094 4.470 -0.001 0.000 0.270 949 S C -1.060 173.465 174.600 -0.126 0.000 1.163 949 S CA -0.518 57.639 58.200 -0.072 0.000 1.042 949 S CB 0.469 63.636 63.200 -0.055 0.000 1.079 949 S HN 0.760 nan 8.310 nan 0.000 0.474 950 I N 4.884 125.353 120.570 -0.169 0.000 2.322 950 I HA 0.276 4.446 4.170 -0.001 0.000 0.292 950 I C 0.375 176.220 176.117 -0.454 0.000 1.060 950 I CA -0.363 60.765 61.300 -0.286 0.000 1.309 950 I CB 0.741 38.636 38.000 -0.175 0.000 1.415 950 I HN 0.588 nan 8.210 nan 0.000 0.492 951 N N 5.233 123.624 118.700 -0.515 0.000 2.495 951 N HA 0.636 5.376 4.740 -0.001 0.000 0.280 951 N C -1.119 173.867 175.510 -0.873 0.000 1.168 951 N CA -0.288 52.421 53.050 -0.568 0.000 0.978 951 N CB 1.234 39.473 38.487 -0.413 0.000 1.191 951 N HN 0.259 nan 8.380 nan 0.000 0.497 952 F N -0.140 119.483 119.950 -0.545 0.000 2.650 952 F HA 0.530 5.057 4.527 -0.001 0.000 0.320 952 F C -1.257 174.100 175.800 -0.738 0.000 1.091 952 F CA -0.662 57.082 58.000 -0.426 0.000 0.962 952 F CB 1.382 40.308 39.000 -0.124 0.000 1.363 952 F HN 0.421 nan 8.300 nan 0.000 0.482 953 W N 1.521 123.023 121.300 0.337 0.000 2.642 953 W HA 0.666 5.325 4.660 -0.001 0.000 0.304 953 W C -1.866 174.773 176.519 0.200 0.000 1.023 953 W CA -0.662 56.810 57.345 0.211 0.000 1.290 953 W CB 1.482 31.007 29.460 0.108 0.000 1.190 953 W HN 0.144 nan 8.180 nan 0.000 0.374 954 V N 4.628 124.776 119.914 0.389 0.000 2.378 954 V HA 0.423 4.543 4.120 -0.001 0.000 0.288 954 V C -1.993 174.290 176.094 0.316 0.000 1.016 954 V CA -2.314 60.194 62.300 0.347 0.000 0.840 954 V CB 1.756 33.744 31.823 0.274 0.000 0.994 954 V HN 0.128 nan 8.190 nan 0.000 0.431 955 P HA 0.246 nan 4.420 nan 0.000 0.267 955 P C -0.016 177.420 177.300 0.227 0.000 1.200 955 P CA 0.444 63.646 63.100 0.170 0.000 0.772 955 P CB 1.255 32.971 31.700 0.026 0.000 0.855 956 V N 0.392 120.349 119.914 0.072 0.000 5.804 956 V HA 0.110 4.229 4.120 -0.001 0.000 0.088 956 V C 0.007 176.077 176.094 -0.039 0.000 0.886 956 V CA -0.252 62.080 62.300 0.053 0.000 1.231 956 V CB -0.674 31.155 31.823 0.010 0.000 2.101 956 V HN 0.321 nan 8.190 nan 0.000 0.525 957 E N 2.247 122.426 120.200 -0.035 0.000 2.568 957 E HA 0.168 4.517 4.350 -0.001 0.000 0.262 957 E C -0.767 175.772 176.600 -0.102 0.000 0.961 957 E CA 0.463 56.833 56.400 -0.049 0.000 0.945 957 E CB 0.562 30.241 29.700 -0.035 0.000 0.924 957 E HN 0.395 nan 8.360 nan 0.000 0.467 958 L N 4.391 125.549 121.223 -0.108 0.000 2.492 958 L HA 0.224 4.563 4.340 -0.001 0.000 0.259 958 L C -0.505 176.288 176.870 -0.127 0.000 1.229 958 L CA -0.161 54.575 54.840 -0.172 0.000 0.903 958 L CB 0.072 41.981 42.059 -0.250 0.000 1.114 958 L HN 0.531 nan 8.230 nan 0.000 0.494 959 N N 3.183 121.818 118.700 -0.108 0.000 2.756 959 N HA -0.264 4.475 4.740 -0.001 0.000 0.248 959 N C 0.623 176.131 175.510 -0.002 0.000 1.062 959 N CA 1.585 54.607 53.050 -0.047 0.000 0.696 959 N CB -1.028 37.428 38.487 -0.053 0.000 0.946 959 N HN 0.970 nan 8.380 nan 0.000 0.548 960 Q N -2.119 117.679 119.800 -0.003 0.000 2.325 960 Q HA -0.338 4.001 4.340 -0.001 0.000 0.153 960 Q C -0.745 175.275 176.000 0.033 0.000 0.593 960 Q CA 2.147 57.960 55.803 0.016 0.000 1.337 960 Q CB -1.018 27.736 28.738 0.027 0.000 1.265 960 Q HN 0.613 nan 8.270 nan 0.000 0.987 961 E N 0.956 121.181 120.200 0.041 0.000 1.996 961 E HA 0.560 4.910 4.350 -0.001 0.000 0.280 961 E C -0.568 176.081 176.600 0.082 0.000 1.092 961 E CA 0.693 57.147 56.400 0.089 0.000 0.862 961 E CB 0.687 30.466 29.700 0.133 0.000 1.066 961 E HN 0.424 nan 8.360 nan 0.000 0.396 962 A N 3.658 126.533 122.820 0.092 0.000 2.531 962 A HA 0.067 4.387 4.320 -0.001 0.000 0.236 962 A C 1.014 178.667 177.584 0.115 0.000 1.062 962 A CA -0.209 51.876 52.037 0.081 0.000 0.760 962 A CB 0.566 19.625 19.000 0.098 0.000 0.995 962 A HN 0.605 nan 8.150 nan 0.000 0.501 963 V N 1.784 121.695 119.914 -0.005 0.000 2.326 963 V HA 0.100 4.219 4.120 -0.001 0.000 0.238 963 V C 0.436 176.703 176.094 0.289 0.000 1.038 963 V CA 1.774 63.946 62.300 -0.213 0.000 1.032 963 V CB -0.332 31.190 31.823 -0.502 0.000 0.675 963 V HN 1.038 nan 8.190 nan 0.000 0.467 964 W N -0.326 120.965 121.300 -0.016 0.000 3.211 964 W HA 0.742 5.402 4.660 -0.001 0.000 0.335 964 W C -1.397 175.146 176.519 0.039 0.000 1.113 964 W CA -2.166 55.209 57.345 0.051 0.000 1.235 964 W CB 0.090 29.589 29.460 0.064 0.000 1.365 964 W HN 0.079 nan 8.180 nan 0.000 0.476 965 M N 3.152 122.820 119.600 0.112 0.000 2.513 965 M HA 0.287 4.767 4.480 -0.001 0.000 0.291 965 M C 0.227 176.470 176.300 -0.096 0.000 1.190 965 M CA -0.399 54.897 55.300 -0.008 0.000 0.960 965 M CB 0.408 33.038 32.600 0.049 0.000 1.517 965 M HN 0.381 nan 8.290 nan 0.000 0.499 966 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 -0.156 0.000 1.211 966 D CA 0.411 54.361 54.000 -0.084 0.000 0.663 966 D CB -1.453 39.322 40.800 -0.042 0.000 0.983 966 D HN 0.269 nan 8.370 nan 0.000 0.407 967 V N 0.667 120.436 119.914 -0.242 0.000 2.406 967 V HA 0.282 4.402 4.120 -0.001 0.000 0.272 967 V C 0.826 176.803 176.094 -0.195 0.000 1.043 967 V CA 0.005 62.077 62.300 -0.380 0.000 0.915 967 V CB 1.595 32.988 31.823 -0.717 0.000 0.988 967 V HN 0.101 nan 8.190 nan 0.000 0.466 968 E N 2.572 122.634 120.200 -0.229 0.000 2.423 968 E HA 0.679 5.029 4.350 -0.001 0.000 0.269 968 E C -1.520 174.897 176.600 -0.305 0.000 0.948 968 E CA -0.878 55.413 56.400 -0.180 0.000 0.802 968 E CB 2.893 32.546 29.700 -0.079 0.000 1.339 968 E HN 0.407 nan 8.360 nan 0.000 0.445 969 V N 1.184 120.928 119.914 -0.283 0.000 2.407 969 V HA 0.367 4.487 4.120 -0.001 0.000 0.291 969 V C -0.684 175.329 176.094 -0.135 0.000 1.018 969 V CA -0.229 61.898 62.300 -0.288 0.000 0.842 969 V CB 1.492 33.046 31.823 -0.448 0.000 0.996 969 V HN 0.645 nan 8.190 nan 0.000 0.426 970 S N 4.742 120.412 115.700 -0.050 0.000 2.584 970 S HA 0.410 4.880 4.470 -0.001 0.000 0.273 970 S C -0.323 174.362 174.600 0.141 0.000 1.311 970 S CA -0.098 58.121 58.200 0.031 0.000 1.034 970 S CB 0.395 63.618 63.200 0.039 0.000 0.939 970 S HN 1.019 nan 8.310 nan 0.000 0.513 971 H N 3.690 122.772 119.070 0.020 0.000 2.379 971 H HA 0.503 5.059 4.556 -0.001 0.000 0.229 971 H C -2.808 172.580 175.328 0.100 0.000 1.423 971 H CA -2.010 54.091 56.048 0.088 0.000 1.375 971 H CB 0.076 29.821 29.762 -0.028 0.000 1.592 971 H HN 0.392 nan 8.280 nan 0.000 0.507 972 P HA 0.057 nan 4.420 nan 0.000 0.273 972 P C 0.065 177.279 177.300 -0.144 0.000 1.250 972 P CA 0.036 63.102 63.100 -0.058 0.000 0.793 972 P CB 0.683 32.392 31.700 0.014 0.000 1.011 973 Q N -2.108 117.629 119.800 -0.104 0.000 2.439 973 Q HA -0.201 4.139 4.340 -0.001 0.000 0.247 973 Q C -0.585 175.329 176.000 -0.144 0.000 0.899 973 Q CA 1.374 57.123 55.803 -0.091 0.000 1.201 973 Q CB -2.154 26.553 28.738 -0.051 0.000 1.608 973 Q HN 0.621 nan 8.270 nan 0.000 0.563 974 N N -0.505 118.030 118.700 -0.275 0.000 2.598 974 N HA 0.347 5.087 4.740 -0.001 0.000 0.263 974 N C -2.717 172.652 175.510 -0.235 0.000 1.254 974 N CA -1.090 51.777 53.050 -0.305 0.000 0.863 974 N CB 1.792 39.945 38.487 -0.556 0.000 1.586 974 N HN -0.218 nan 8.380 nan 0.000 0.491 975 P HA -0.022 nan 4.420 nan 0.000 0.270 975 P C -0.147 177.209 177.300 0.092 0.000 1.221 975 P CA 0.024 63.141 63.100 0.029 0.000 0.788 975 P CB 0.188 31.926 31.700 0.063 0.000 0.904 976 S N 0.822 116.562 115.700 0.068 0.000 2.498 976 S HA 0.250 4.720 4.470 -0.001 0.000 0.314 976 S C 0.257 174.905 174.600 0.080 0.000 1.141 976 S CA -0.610 57.636 58.200 0.078 0.000 1.087 976 S CB -0.880 62.341 63.200 0.035 0.000 1.178 976 S HN 0.176 nan 8.310 nan 0.000 0.533 977 L N 3.017 124.307 121.223 0.111 0.000 2.439 977 L HA 0.476 4.816 4.340 -0.001 0.000 0.259 977 L C 1.010 177.859 176.870 -0.034 0.000 1.129 977 L CA -0.122 54.731 54.840 0.021 0.000 0.803 977 L CB 0.493 42.518 42.059 -0.057 0.000 1.161 977 L HN 0.605 nan 8.230 nan 0.000 0.462 978 R N 0.271 120.743 120.500 -0.047 0.000 2.265 978 R HA 0.554 4.894 4.340 -0.001 0.000 0.319 978 R C -1.232 175.025 176.300 -0.071 0.000 1.006 978 R CA -0.480 55.591 56.100 -0.048 0.000 0.880 978 R CB 0.910 31.190 30.300 -0.033 0.000 1.077 978 R HN 0.485 nan 8.270 nan 0.000 0.454 979 c N 1.025 119.590 118.600 -0.058 0.000 2.634 979 c HA 0.531 5.100 4.570 -0.001 0.000 0.313 979 c C 0.425 174.496 174.090 -0.031 0.000 1.198 979 c CA -0.552 55.751 56.329 -0.044 0.000 1.605 979 c CB 2.094 44.594 42.510 -0.017 0.000 2.196 979 c HN 0.820 nan 8.230 nan 0.000 0.486 980 S N 1.028 116.696 115.700 -0.054 0.000 2.690 980 S HA 0.860 5.330 4.470 -0.001 0.000 0.291 980 S C -0.450 174.019 174.600 -0.219 0.000 1.138 980 S CA -0.289 57.844 58.200 -0.111 0.000 1.013 980 S CB 0.973 64.103 63.200 -0.117 0.000 1.053 980 S HN 1.068 nan 8.310 nan 0.000 0.539 981 S N 1.766 117.298 115.700 -0.279 0.000 2.575 981 S HA 0.678 5.147 4.470 -0.001 0.000 0.278 981 S C -1.557 172.846 174.600 -0.329 0.000 1.139 981 S CA -0.856 57.062 58.200 -0.470 0.000 0.954 981 S CB 1.437 64.369 63.200 -0.447 0.000 1.054 981 S HN 0.723 nan 8.310 nan 0.000 0.483 982 E N 1.359 121.348 120.200 -0.351 0.000 2.291 982 E HA 0.327 4.677 4.350 -0.001 0.000 0.276 982 E C -1.335 175.164 176.600 -0.168 0.000 0.896 982 E CA -0.755 55.520 56.400 -0.209 0.000 0.774 982 E CB 2.298 31.906 29.700 -0.152 0.000 1.227 982 E HN 0.574 nan 8.360 nan 0.000 0.413 983 K N 2.749 123.081 120.400 -0.113 0.000 2.144 983 K HA 0.623 4.943 4.320 -0.001 0.000 0.270 983 K C -0.032 176.554 176.600 -0.024 0.000 1.005 983 K CA -0.405 55.842 56.287 -0.067 0.000 0.932 983 K CB 0.951 33.414 32.500 -0.061 0.000 1.021 983 K HN 0.463 nan 8.250 nan 0.000 0.462 984 I N -2.208 118.366 120.570 0.008 0.000 2.827 984 I HA 0.603 4.773 4.170 -0.001 0.000 0.298 984 I C -1.312 174.813 176.117 0.013 0.000 1.235 984 I CA -1.207 60.107 61.300 0.023 0.000 1.021 984 I CB 2.361 40.400 38.000 0.066 0.000 1.259 984 I HN 0.516 nan 8.210 nan 0.000 0.427 985 A N 4.883 127.704 122.820 0.002 0.000 2.271 985 A HA 0.877 5.197 4.320 -0.001 0.000 0.317 985 A C -2.348 175.228 177.584 -0.014 0.000 1.245 985 A CA -1.359 50.672 52.037 -0.010 0.000 0.857 985 A CB -0.074 18.920 19.000 -0.010 0.000 1.175 985 A HN 0.680 nan 8.150 nan 0.000 0.512 986 P HA 0.208 nan 4.420 nan 0.000 0.280 986 P C -1.574 175.708 177.300 -0.029 0.000 1.278 986 P CA -0.829 62.246 63.100 -0.040 0.000 0.787 986 P CB 0.003 31.663 31.700 -0.065 0.000 1.163 987 P HA -0.041 nan 4.420 nan 0.000 0.225 987 P C 0.252 177.553 177.300 0.001 0.000 1.148 987 P CA 1.412 64.502 63.100 -0.015 0.000 0.779 987 P CB -0.318 31.372 31.700 -0.017 0.000 0.780 988 A N -1.315 121.509 122.820 0.005 0.000 3.095 988 A HA -0.131 4.189 4.320 -0.001 0.000 0.248 988 A C 0.753 178.372 177.584 0.058 0.000 1.369 988 A CA 0.508 52.572 52.037 0.044 0.000 0.843 988 A CB -2.661 16.363 19.000 0.040 0.000 1.064 988 A HN 0.316 nan 8.150 nan 0.000 0.636 989 S N 0.073 115.797 115.700 0.040 0.000 2.617 989 S HA 0.324 4.794 4.470 -0.001 0.000 0.255 989 S C 0.393 175.027 174.600 0.055 0.000 1.318 989 S CA 0.298 58.525 58.200 0.044 0.000 0.978 989 S CB 0.284 63.516 63.200 0.054 0.000 0.961 989 S HN 0.687 nan 8.310 nan 0.000 0.582 990 D N 1.128 121.536 120.400 0.013 0.000 2.357 990 D HA 0.028 4.667 4.640 -0.001 0.000 0.265 990 D C 0.796 177.069 176.300 -0.045 0.000 1.334 990 D CA -0.390 53.558 54.000 -0.086 0.000 0.984 990 D CB -0.401 40.351 40.800 -0.080 0.000 1.077 990 D HN 0.441 nan 8.370 nan 0.000 0.514 991 F N 2.888 122.860 119.950 0.036 0.000 2.502 991 F HA 0.025 4.552 4.527 -0.001 0.000 0.298 991 F C 1.752 177.612 175.800 0.100 0.000 1.111 991 F CA -0.170 57.859 58.000 0.047 0.000 1.445 991 F CB -0.721 38.273 39.000 -0.010 0.000 1.081 991 F HN 0.322 nan 8.300 nan 0.000 0.558 992 L N 1.401 122.387 121.223 -0.394 0.000 1.956 992 L HA -0.217 4.123 4.340 -0.001 0.000 0.216 992 L C 2.659 179.546 176.870 0.028 0.000 1.073 992 L CA 2.160 56.910 54.840 -0.150 0.000 0.762 992 L CB -0.833 41.067 42.059 -0.265 0.000 0.889 992 L HN 0.257 nan 8.230 nan 0.000 0.433 993 A N -1.770 121.053 122.820 0.005 0.000 2.014 993 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 993 A C 2.172 179.802 177.584 0.077 0.000 1.163 993 A CA 1.137 53.194 52.037 0.033 0.000 0.652 993 A CB -0.954 18.050 19.000 0.006 0.000 0.808 993 A HN 0.756 nan 8.150 nan 0.000 0.449 994 H N 1.198 120.292 119.070 0.039 0.000 2.251 994 H HA -0.173 4.383 4.556 -0.001 0.000 0.294 994 H C 1.925 177.293 175.328 0.067 0.000 1.078 994 H CA 2.344 58.428 56.048 0.059 0.000 1.246 994 H CB -0.267 29.551 29.762 0.093 0.000 1.358 994 H HN 0.576 nan 8.280 nan 0.000 0.488 995 I N -0.411 120.336 120.570 0.294 0.000 3.291 995 I HA -0.035 4.134 4.170 -0.001 0.000 0.279 995 I C 2.437 178.621 176.117 0.111 0.000 1.294 995 I CA 0.834 62.260 61.300 0.210 0.000 1.428 995 I CB -0.308 37.842 38.000 0.250 0.000 1.070 995 I HN 0.206 nan 8.210 nan 0.000 0.478 996 Q N 1.936 121.790 119.800 0.091 0.000 2.119 996 Q HA -0.177 4.163 4.340 -0.001 0.000 0.201 996 Q C 2.034 178.045 176.000 0.019 0.000 0.972 996 Q CA 1.426 57.262 55.803 0.054 0.000 0.847 996 Q CB 0.093 28.858 28.738 0.045 0.000 0.903 996 Q HN 0.570 nan 8.270 nan 0.000 0.433 997 K N 0.215 120.608 120.400 -0.012 0.000 1.987 997 K HA -0.138 4.182 4.320 -0.001 0.000 0.216 997 K C 0.657 177.242 176.600 -0.025 0.000 1.051 997 K CA 1.165 57.428 56.287 -0.040 0.000 0.942 997 K CB -0.066 32.373 32.500 -0.102 0.000 0.722 997 K HN 0.077 nan 8.250 nan 0.000 0.444 998 N N -0.790 117.896 118.700 -0.023 0.000 2.410 998 N HA 0.174 4.914 4.740 -0.001 0.000 0.287 998 N C -2.510 173.024 175.510 0.041 0.000 1.044 998 N CA -2.109 50.941 53.050 0.000 0.000 0.881 998 N CB 1.846 40.323 38.487 -0.017 0.000 1.405 998 N HN -0.260 nan 8.380 nan 0.000 0.490 999 P HA -0.127 nan 4.420 nan 0.000 0.224 999 P C 0.357 177.710 177.300 0.088 0.000 1.142 999 P CA 0.727 63.870 63.100 0.070 0.000 0.778 999 P CB -0.016 31.712 31.700 0.047 0.000 0.764 1000 V N -2.125 117.833 119.914 0.072 0.000 3.061 1000 V HA -0.056 4.063 4.120 -0.001 0.000 0.306 1000 V C 0.364 176.514 176.094 0.094 0.000 1.118 1000 V CA 0.078 62.421 62.300 0.073 0.000 1.231 1000 V CB -0.103 31.755 31.823 0.058 0.000 0.956 1000 V HN -0.056 nan 8.190 nan 0.000 0.499 1001 L N 3.884 125.143 121.223 0.060 0.000 2.556 1001 L HA 0.458 4.798 4.340 -0.001 0.000 0.243 1001 L C -0.160 176.703 176.870 -0.012 0.000 1.331 1001 L CA -0.550 54.299 54.840 0.015 0.000 0.927 1001 L CB 0.322 42.349 42.059 -0.052 0.000 1.219 1001 L HN 1.064 nan 8.230 nan 0.000 0.490 1002 D N -0.235 120.175 120.400 0.016 0.000 2.393 1002 D HA -0.016 4.624 4.640 -0.001 0.000 0.246 1002 D C 1.110 177.391 176.300 -0.031 0.000 1.275 1002 D CA -0.472 53.529 54.000 0.001 0.000 0.979 1002 D CB 0.653 41.460 40.800 0.013 0.000 1.101 1002 D HN 0.258 nan 8.370 nan 0.000 0.505 1003 c N -0.438 118.145 118.600 -0.029 0.000 2.472 1003 c HA -0.040 4.529 4.570 -0.001 0.000 0.278 1003 c C 2.484 176.531 174.090 -0.071 0.000 1.447 1003 c CA 0.883 57.195 56.329 -0.027 0.000 1.773 1003 c CB -1.743 40.773 42.510 0.011 0.000 1.793 1003 c HN 0.746 nan 8.230 nan 0.000 0.544 1004 S N 0.159 115.803 115.700 -0.093 0.000 2.515 1004 S HA 0.025 4.494 4.470 -0.001 0.000 0.231 1004 S C 1.428 175.927 174.600 -0.169 0.000 0.987 1004 S CA 1.011 59.140 58.200 -0.118 0.000 0.936 1004 S CB -0.297 62.845 63.200 -0.097 0.000 0.766 1004 S HN 0.508 nan 8.310 nan 0.000 0.528 1005 I N 1.119 121.584 120.570 -0.175 0.000 3.132 1005 I HA 0.401 4.571 4.170 -0.001 0.000 0.255 1005 I C 1.308 177.319 176.117 -0.177 0.000 1.118 1005 I CA 0.410 61.592 61.300 -0.198 0.000 1.463 1005 I CB -1.178 36.704 38.000 -0.196 0.000 1.356 1005 I HN 0.353 nan 8.210 nan 0.000 0.463 1006 A N 0.818 123.536 122.820 -0.170 0.000 2.301 1006 A HA 0.612 4.931 4.320 -0.001 0.000 0.312 1006 A C 0.605 178.129 177.584 -0.100 0.000 1.182 1006 A CA -0.158 51.772 52.037 -0.178 0.000 0.826 1006 A CB 0.286 19.139 19.000 -0.244 0.000 1.134 1006 A HN 0.380 nan 8.150 nan 0.000 0.501 1007 G N 1.188 109.937 108.800 -0.085 0.000 2.151 1007 G HA2 0.225 4.185 3.960 -0.001 0.000 0.269 1007 G HA3 0.225 4.185 3.960 -0.001 0.000 0.269 1007 G C 0.471 175.368 174.900 -0.006 0.000 1.069 1007 G CA 0.375 45.452 45.100 -0.039 0.000 1.080 1007 G HN 0.914 nan 8.290 nan 0.000 0.405 1008 c N 2.639 121.262 118.600 0.039 0.000 2.644 1008 c HA 0.773 5.343 4.570 -0.001 0.000 0.330 1008 c C 0.411 174.559 174.090 0.097 0.000 1.606 1008 c CA -0.675 55.719 56.329 0.109 0.000 2.115 1008 c CB 0.417 43.043 42.510 0.195 0.000 1.990 1008 c HN 0.681 nan 8.230 nan 0.000 0.581 1009 L N 2.297 123.604 121.223 0.140 0.000 2.580 1009 L HA 0.435 4.775 4.340 -0.001 0.000 0.266 1009 L C -0.465 176.380 176.870 -0.042 0.000 0.955 1009 L CA -0.317 54.518 54.840 -0.008 0.000 0.886 1009 L CB 0.722 42.754 42.059 -0.045 0.000 1.263 1009 L HN 0.756 nan 8.230 nan 0.000 0.406 1010 R N 3.887 124.253 120.500 -0.224 0.000 2.308 1010 R HA 0.430 4.770 4.340 -0.001 0.000 0.305 1010 R C -1.741 174.250 176.300 -0.514 0.000 1.053 1010 R CA -0.257 55.569 56.100 -0.457 0.000 0.957 1010 R CB 0.712 30.662 30.300 -0.582 0.000 1.022 1010 R HN 0.403 nan 8.270 nan 0.000 0.461 1011 F N 3.796 123.574 119.950 -0.287 0.000 2.402 1011 F HA 0.363 4.890 4.527 -0.000 0.000 0.355 1011 F C 0.662 176.348 175.800 -0.189 0.000 1.123 1011 F CA -0.674 57.238 58.000 -0.147 0.000 1.021 1011 F CB 1.450 40.457 39.000 0.010 0.000 1.160 1011 F HN 0.350 nan 8.300 nan 0.000 0.451 1012 R N 3.607 124.063 120.500 -0.073 0.000 2.522 1012 R HA 0.446 4.786 4.340 -0.001 0.000 0.290 1012 R C -1.395 174.855 176.300 -0.084 0.000 1.216 1012 R CA -0.254 55.774 56.100 -0.120 0.000 1.250 1012 R CB 0.017 30.233 30.300 -0.140 0.000 1.143 1012 R HN 0.724 nan 8.270 nan 0.000 0.553 1013 c N 4.405 122.949 118.600 -0.092 0.000 2.192 1013 c HA 0.245 4.815 4.570 -0.001 0.000 0.337 1013 c C 0.102 174.108 174.090 -0.139 0.000 1.103 1013 c CA -1.017 55.228 56.329 -0.140 0.000 1.581 1013 c CB -0.757 41.608 42.510 -0.242 0.000 2.070 1013 c HN 0.691 nan 8.230 nan 0.000 0.485 1014 D N 1.251 121.588 120.400 -0.104 0.000 2.361 1014 D HA 0.373 5.012 4.640 -0.001 0.000 0.239 1014 D C -0.194 176.066 176.300 -0.068 0.000 1.200 1014 D CA 0.324 54.281 54.000 -0.072 0.000 0.915 1014 D CB 1.133 41.905 40.800 -0.047 0.000 1.170 1014 D HN 0.266 nan 8.370 nan 0.000 0.444 1015 V N 2.591 122.486 119.914 -0.032 0.000 2.668 1015 V HA 0.134 4.254 4.120 -0.001 0.000 0.304 1015 V C -1.508 174.607 176.094 0.035 0.000 1.071 1015 V CA -1.126 61.175 62.300 0.001 0.000 0.894 1015 V CB 2.227 34.049 31.823 -0.001 0.000 1.008 1015 V HN 0.419 nan 8.190 nan 0.000 0.425 1016 P HA -0.061 nan 4.420 nan 0.000 0.211 1016 P C 0.480 177.815 177.300 0.058 0.000 1.179 1016 P CA 1.082 64.210 63.100 0.047 0.000 0.910 1016 P CB 0.427 32.156 31.700 0.047 0.000 0.785 1017 S N -1.589 114.158 115.700 0.077 0.000 2.673 1017 S HA 0.330 4.799 4.470 -0.001 0.000 0.256 1017 S C -1.080 173.594 174.600 0.123 0.000 1.141 1017 S CA -0.694 57.549 58.200 0.072 0.000 1.109 1017 S CB -0.504 62.715 63.200 0.031 0.000 1.101 1017 S HN -0.054 nan 8.310 nan 0.000 0.471 1018 F N 5.623 125.542 119.950 -0.052 0.000 2.651 1018 F HA 0.367 4.893 4.527 -0.000 0.000 0.367 1018 F C 0.959 176.717 175.800 -0.071 0.000 1.225 1018 F CA -0.271 57.698 58.000 -0.052 0.000 1.310 1018 F CB -0.726 38.230 39.000 -0.074 0.000 1.724 1018 F HN 0.589 nan 8.300 nan 0.000 0.662 1019 S N 2.212 117.782 115.700 -0.217 0.000 2.558 1019 S HA 0.046 4.516 4.470 -0.001 0.000 0.297 1019 S C 0.319 174.636 174.600 -0.472 0.000 1.283 1019 S CA -0.565 57.473 58.200 -0.270 0.000 1.044 1019 S CB 0.276 63.365 63.200 -0.185 0.000 0.789 1019 S HN 0.271 nan 8.310 nan 0.000 0.500 1020 V N 6.150 125.867 119.914 -0.327 0.000 2.843 1020 V HA 0.125 4.244 4.120 -0.001 0.000 0.305 1020 V C 1.166 177.099 176.094 -0.267 0.000 1.065 1020 V CA 0.652 62.772 62.300 -0.301 0.000 1.116 1020 V CB 0.477 32.200 31.823 -0.167 0.000 0.968 1020 V HN 1.140 nan 8.190 nan 0.000 0.487 1021 Q N -0.141 119.524 119.800 -0.226 0.000 2.559 1021 Q HA -0.238 4.102 4.340 -0.001 0.000 0.151 1021 Q C 0.624 176.523 176.000 -0.168 0.000 0.725 1021 Q CA 1.725 57.450 55.803 -0.129 0.000 1.230 1021 Q CB -0.974 27.721 28.738 -0.072 0.000 1.099 1021 Q HN 0.903 nan 8.270 nan 0.000 1.047 1022 E N 1.983 121.995 120.200 -0.314 0.000 2.328 1022 E HA -0.009 4.341 4.350 -0.001 0.000 0.265 1022 E C 0.108 176.629 176.600 -0.133 0.000 1.057 1022 E CA 0.197 56.447 56.400 -0.250 0.000 0.916 1022 E CB 0.441 29.934 29.700 -0.345 0.000 0.993 1022 E HN 0.225 nan 8.360 nan 0.000 0.446 1023 E N 5.597 125.789 120.200 -0.014 0.000 2.311 1023 E HA 0.046 4.395 4.350 -0.001 0.000 0.198 1023 E C 0.055 176.721 176.600 0.111 0.000 1.115 1023 E CA -0.324 56.108 56.400 0.053 0.000 1.140 1023 E CB 0.030 29.710 29.700 -0.033 0.000 1.204 1023 E HN 0.632 nan 8.360 nan 0.000 0.446 1024 L N 2.951 124.321 121.223 0.246 0.000 2.806 1024 L HA -0.132 4.208 4.340 -0.001 0.000 0.282 1024 L C -0.497 176.438 176.870 0.109 0.000 1.166 1024 L CA 0.463 55.472 54.840 0.282 0.000 0.969 1024 L CB 0.076 42.420 42.059 0.476 0.000 1.304 1024 L HN 0.229 nan 8.230 nan 0.000 0.474 1025 D N 4.619 125.054 120.400 0.059 0.000 2.490 1025 D HA 0.709 5.348 4.640 -0.001 0.000 0.232 1025 D C -0.756 175.569 176.300 0.041 0.000 1.053 1025 D CA -0.482 53.421 54.000 -0.162 0.000 0.914 1025 D CB 1.701 42.430 40.800 -0.118 0.000 1.431 1025 D HN 0.291 nan 8.370 nan 0.000 0.483 1026 F N -2.603 117.474 119.950 0.211 0.000 2.744 1026 F HA 0.648 5.174 4.527 -0.000 0.000 0.311 1026 F C -0.929 174.961 175.800 0.150 0.000 1.144 1026 F CA -0.984 57.143 58.000 0.211 0.000 0.938 1026 F CB 1.471 40.647 39.000 0.295 0.000 1.292 1026 F HN 0.443 nan 8.300 nan 0.000 0.444 1027 T N 1.395 116.163 114.554 0.358 0.000 2.916 1027 T HA 0.869 5.218 4.350 -0.001 0.000 0.292 1027 T C -1.739 173.002 174.700 0.068 0.000 1.064 1027 T CA -0.681 61.534 62.100 0.192 0.000 1.011 1027 T CB 1.515 70.459 68.868 0.127 0.000 1.152 1027 T HN 1.147 nan 8.240 nan 0.000 0.510 1028 L N 1.194 122.414 121.223 -0.006 0.000 2.408 1028 L HA 0.925 5.265 4.340 -0.001 0.000 0.268 1028 L C -0.871 175.992 176.870 -0.011 0.000 0.986 1028 L CA -0.896 53.864 54.840 -0.133 0.000 0.820 1028 L CB 1.739 43.572 42.059 -0.376 0.000 1.303 1028 L HN 0.814 nan 8.230 nan 0.000 0.411 1029 K N 0.716 121.073 120.400 -0.072 0.000 2.509 1029 K HA 1.014 5.333 4.320 -0.001 0.000 0.266 1029 K C -0.835 175.689 176.600 -0.126 0.000 0.987 1029 K CA -0.806 55.494 56.287 0.022 0.000 0.868 1029 K CB 2.402 34.924 32.500 0.038 0.000 1.421 1029 K HN 1.072 nan 8.250 nan 0.000 0.444 1030 G N 0.973 109.763 108.800 -0.017 0.000 2.716 1030 G HA2 0.194 4.154 3.960 -0.001 0.000 0.299 1030 G HA3 0.194 4.154 3.960 -0.001 0.000 0.299 1030 G C -1.713 173.305 174.900 0.196 0.000 1.450 1030 G CA -1.039 44.003 45.100 -0.098 0.000 0.968 1030 G HN 0.480 nan 8.290 nan 0.000 0.566 1031 N N 0.318 119.095 118.700 0.128 0.000 2.365 1031 N HA 0.034 4.774 4.740 -0.001 0.000 0.265 1031 N C -0.064 175.629 175.510 0.304 0.000 1.288 1031 N CA 0.130 53.290 53.050 0.183 0.000 0.869 1031 N CB 1.240 39.802 38.487 0.125 0.000 1.071 1031 N HN 0.524 nan 8.380 nan 0.000 0.480 1032 L N 1.848 123.251 121.223 0.301 0.000 2.255 1032 L HA 0.228 4.568 4.340 -0.001 0.000 0.289 1032 L C 0.442 177.362 176.870 0.083 0.000 1.046 1032 L CA -0.323 54.687 54.840 0.283 0.000 0.816 1032 L CB 0.672 42.795 42.059 0.106 0.000 1.197 1032 L HN 0.408 nan 8.230 nan 0.000 0.427 1033 S N 3.258 119.094 115.700 0.226 0.000 2.576 1033 S HA 0.220 4.690 4.470 -0.001 0.000 0.276 1033 S C 0.640 175.284 174.600 0.074 0.000 1.339 1033 S CA -0.096 58.245 58.200 0.235 0.000 1.039 1033 S CB 0.429 63.820 63.200 0.319 0.000 0.902 1033 S HN 0.559 nan 8.310 nan 0.000 0.516 1034 F N 2.373 122.385 119.950 0.103 0.000 2.721 1034 F HA 0.284 4.811 4.527 -0.001 0.000 0.301 1034 F C 2.231 177.934 175.800 -0.161 0.000 1.096 1034 F CA 0.064 58.021 58.000 -0.072 0.000 1.308 1034 F CB -0.260 38.718 39.000 -0.038 0.000 1.086 1034 F HN 0.758 nan 8.300 nan 0.000 0.587 1035 G N 1.392 110.278 108.800 0.142 0.000 2.421 1035 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.216 1035 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.216 1035 G C 1.489 176.424 174.900 0.058 0.000 1.171 1035 G CA 0.753 45.918 45.100 0.108 0.000 0.775 1035 G HN 0.617 nan 8.290 nan 0.000 0.543 1036 W N 1.234 122.577 121.300 0.071 0.000 2.538 1036 W HA 0.031 4.691 4.660 -0.001 0.000 0.254 1036 W C 1.324 177.867 176.519 0.041 0.000 1.249 1036 W CA 0.721 58.091 57.345 0.041 0.000 1.253 1036 W CB -0.962 28.510 29.460 0.020 0.000 1.130 1036 W HN 0.089 nan 8.180 nan 0.000 0.618 1037 V N 2.054 121.460 119.914 -0.847 0.000 2.469 1037 V HA -0.300 3.820 4.120 -0.001 0.000 0.251 1037 V C 2.869 178.789 176.094 -0.290 0.000 1.064 1037 V CA 2.523 64.284 62.300 -0.900 0.000 1.066 1037 V CB -1.061 30.350 31.823 -0.687 0.000 0.667 1037 V HN 0.247 nan 8.190 nan 0.000 0.461 1038 R N -0.028 120.397 120.500 -0.125 0.000 2.161 1038 R HA -0.139 4.201 4.340 -0.001 0.000 0.213 1038 R C 2.308 178.642 176.300 0.057 0.000 1.055 1038 R CA 1.012 57.100 56.100 -0.019 0.000 0.996 1038 R CB -0.127 30.172 30.300 -0.003 0.000 0.901 1038 R HN 0.491 nan 8.270 nan 0.000 0.456 1039 Q N 1.258 121.122 119.800 0.106 0.000 2.248 1039 Q HA -0.166 4.174 4.340 -0.001 0.000 0.208 1039 Q C 1.532 177.658 176.000 0.211 0.000 0.984 1039 Q CA 2.015 57.918 55.803 0.167 0.000 0.875 1039 Q CB -0.119 28.742 28.738 0.206 0.000 0.910 1039 Q HN 0.623 nan 8.270 nan 0.000 0.433 1040 I N -4.578 116.117 120.570 0.208 0.000 4.057 1040 I HA 0.260 4.430 4.170 -0.001 0.000 0.334 1040 I C 0.099 176.317 176.117 0.168 0.000 1.308 1040 I CA -0.359 61.091 61.300 0.249 0.000 1.125 1040 I CB 0.534 38.707 38.000 0.289 0.000 1.034 1040 I HN 0.037 nan 8.210 nan 0.000 0.401 1041 L N 1.113 122.403 121.223 0.112 0.000 3.533 1041 L HA -0.218 4.121 4.340 -0.001 0.000 0.477 1041 L C -0.506 176.411 176.870 0.078 0.000 1.306 1041 L CA 1.158 56.047 54.840 0.082 0.000 0.850 1041 L CB -1.532 40.577 42.059 0.083 0.000 1.654 1041 L HN 0.749 nan 8.230 nan 0.000 0.863 1042 Q N -0.139 119.703 119.800 0.069 0.000 2.737 1042 Q HA 0.656 4.996 4.340 -0.001 0.000 0.307 1042 Q C -1.026 175.004 176.000 0.051 0.000 0.905 1042 Q CA -1.206 54.637 55.803 0.067 0.000 0.753 1042 Q CB 1.947 30.729 28.738 0.074 0.000 1.463 1042 Q HN 0.097 nan 8.270 nan 0.000 0.455 1043 K N 0.763 121.194 120.400 0.052 0.000 2.444 1043 K HA 0.370 4.690 4.320 -0.001 0.000 0.252 1043 K C -0.814 175.784 176.600 -0.004 0.000 0.993 1043 K CA -0.783 55.525 56.287 0.036 0.000 0.847 1043 K CB 1.581 34.144 32.500 0.106 0.000 1.340 1043 K HN 0.680 nan 8.250 nan 0.000 0.446 1044 K N 0.159 120.535 120.400 -0.040 0.000 3.192 1044 K HA -0.157 4.163 4.320 -0.001 0.000 0.278 1044 K C -0.233 176.349 176.600 -0.030 0.000 1.164 1044 K CA 0.213 56.462 56.287 -0.062 0.000 0.816 1044 K CB -0.867 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 1.289 121.196 119.914 -0.012 0.000 3.237 1045 V HA 0.403 4.522 4.120 -0.001 0.000 0.305 1045 V C 0.065 176.188 176.094 0.048 0.000 1.096 1045 V CA 0.868 63.201 62.300 0.055 0.000 1.130 1045 V CB 1.543 33.442 31.823 0.127 0.000 1.048 1045 V HN 0.499 nan 8.190 nan 0.000 0.484 1046 S N 4.175 119.931 115.700 0.092 0.000 2.614 1046 S HA 0.528 4.997 4.470 -0.001 0.000 0.275 1046 S C -1.028 173.623 174.600 0.084 0.000 1.161 1046 S CA -0.596 57.645 58.200 0.069 0.000 0.969 1046 S CB 1.216 64.442 63.200 0.044 0.000 1.059 1046 S HN 1.066 nan 8.310 nan 0.000 0.482 1047 V N 3.830 123.782 119.914 0.063 0.000 2.481 1047 V HA 0.753 4.873 4.120 -0.001 0.000 0.286 1047 V C -0.674 175.421 176.094 0.001 0.000 1.042 1047 V CA -0.264 62.030 62.300 -0.010 0.000 0.928 1047 V CB 1.435 33.183 31.823 -0.125 0.000 0.986 1047 V HN 0.911 nan 8.190 nan 0.000 0.462 1048 V N 5.949 125.861 119.914 -0.004 0.000 2.628 1048 V HA 0.659 4.778 4.120 -0.001 0.000 0.306 1048 V C -0.067 176.037 176.094 0.017 0.000 1.045 1048 V CA -0.264 62.047 62.300 0.018 0.000 0.905 1048 V CB 2.369 34.212 31.823 0.033 0.000 0.997 1048 V HN 1.040 nan 8.190 nan 0.000 0.436 1049 S N 3.277 118.979 115.700 0.004 0.000 2.482 1049 S HA 0.808 5.278 4.470 -0.001 0.000 0.303 1049 S C -0.964 173.769 174.600 0.220 0.000 1.091 1049 S CA -0.647 57.609 58.200 0.094 0.000 1.057 1049 S CB 1.733 64.905 63.200 -0.047 0.000 1.031 1049 S HN 0.431 nan 8.310 nan 0.000 0.485 1050 V N 2.153 122.243 119.914 0.294 0.000 2.435 1050 V HA 0.832 4.952 4.120 -0.001 0.000 0.290 1050 V C 0.188 176.506 176.094 0.374 0.000 1.030 1050 V CA -0.534 61.941 62.300 0.293 0.000 0.881 1050 V CB 1.225 33.172 31.823 0.207 0.000 0.983 1050 V HN 1.207 nan 8.190 nan 0.000 0.445 1051 A N 4.237 127.104 122.820 0.080 0.000 2.335 1051 A HA 0.787 5.107 4.320 -0.001 0.000 0.304 1051 A C -0.490 176.966 177.584 -0.212 0.000 1.118 1051 A CA -0.548 51.367 52.037 -0.204 0.000 0.757 1051 A CB 1.017 19.531 19.000 -0.811 0.000 1.188 1051 A HN 0.915 nan 8.150 nan 0.000 0.460 1052 E N 3.572 123.656 120.200 -0.194 0.000 2.241 1052 E HA 0.531 4.881 4.350 -0.001 0.000 0.263 1052 E C -1.560 174.925 176.600 -0.193 0.000 0.882 1052 E CA -0.560 55.778 56.400 -0.102 0.000 0.769 1052 E CB 1.472 31.225 29.700 0.087 0.000 1.185 1052 E HN 0.684 nan 8.360 nan 0.000 0.415 1053 I N 3.915 124.392 120.570 -0.155 0.000 2.532 1053 I HA 0.358 4.528 4.170 -0.001 0.000 0.292 1053 I C -0.374 175.701 176.117 -0.069 0.000 1.014 1053 I CA 0.099 61.325 61.300 -0.124 0.000 1.340 1053 I CB 1.172 39.126 38.000 -0.076 0.000 1.422 1053 I HN 0.821 nan 8.210 nan 0.000 0.528 1054 T N 3.432 117.950 114.554 -0.058 0.000 2.865 1054 T HA 0.770 5.120 4.350 -0.001 0.000 0.294 1054 T C -0.812 173.888 174.700 -0.000 0.000 1.119 1054 T CA -0.661 61.313 62.100 -0.210 0.000 1.007 1054 T CB 1.834 70.596 68.868 -0.178 0.000 1.225 1054 T HN 0.563 nan 8.240 nan 0.000 0.515 1055 F N -1.650 118.292 119.950 -0.012 0.000 2.770 1055 F HA 0.575 5.102 4.527 -0.000 0.000 0.313 1055 F C -0.935 174.907 175.800 0.071 0.000 1.154 1055 F CA -1.442 56.571 58.000 0.022 0.000 0.923 1055 F CB 0.220 39.230 39.000 0.016 0.000 1.301 1055 F HN 0.581 nan 8.300 nan 0.000 0.449 1056 D N 1.654 122.230 120.400 0.295 0.000 2.455 1056 D HA 0.013 4.653 4.640 -0.001 0.000 0.265 1056 D C 1.453 177.873 176.300 0.200 0.000 1.284 1056 D CA 1.137 55.256 54.000 0.198 0.000 0.944 1056 D CB 1.123 42.052 40.800 0.215 0.000 1.121 1056 D HN 0.795 nan 8.370 nan 0.000 0.525 1057 T N 1.896 116.487 114.554 0.063 0.000 2.760 1057 T HA -0.189 4.161 4.350 -0.001 0.000 0.269 1057 T C 0.927 175.679 174.700 0.087 0.000 1.047 1057 T CA 1.474 63.600 62.100 0.043 0.000 1.139 1057 T CB -0.044 68.817 68.868 -0.013 0.000 0.855 1057 T HN 0.293 nan 8.240 nan 0.000 0.471 1058 S N -1.009 114.734 115.700 0.072 0.000 2.562 1058 S HA 0.490 4.960 4.470 -0.001 0.000 0.275 1058 S C 0.977 175.592 174.600 0.024 0.000 1.281 1058 S CA -0.214 58.011 58.200 0.042 0.000 1.045 1058 S CB 0.982 64.194 63.200 0.020 0.000 0.962 1058 S HN 0.577 nan 8.310 nan 0.000 0.503 1059 V N 3.122 123.018 119.914 -0.029 0.000 0.434 1059 V HA -0.258 3.862 4.120 -0.001 0.000 0.092 1059 V C -0.345 175.636 176.094 -0.188 0.000 2.581 1059 V CA 1.843 64.047 62.300 -0.159 0.000 3.733 1059 V CB -2.305 29.302 31.823 -0.360 0.000 1.002 1059 V HN 0.871 nan 8.190 nan 0.000 1.053 1060 Y N 0.798 121.226 120.300 0.213 0.000 2.587 1060 Y HA 0.810 5.360 4.550 -0.000 0.000 0.337 1060 Y C 0.264 176.325 175.900 0.267 0.000 1.065 1060 Y CA -0.382 57.856 58.100 0.231 0.000 1.126 1060 Y CB 2.089 40.671 38.460 0.202 0.000 1.279 1060 Y HN 0.584 nan 8.280 nan 0.000 0.489 1061 S N 0.154 116.127 115.700 0.454 0.000 2.678 1061 S HA 0.245 4.715 4.470 -0.001 0.000 0.290 1061 S C -1.714 173.058 174.600 0.287 0.000 1.047 1061 S CA -1.238 57.191 58.200 0.380 0.000 0.851 1061 S CB 1.172 64.499 63.200 0.210 0.000 1.058 1061 S HN 0.686 nan 8.310 nan 0.000 0.451 1062 Q N 0.496 120.463 119.800 0.278 0.000 2.340 1062 Q HA 0.468 4.808 4.340 -0.001 0.000 0.249 1062 Q C 1.083 177.145 176.000 0.103 0.000 0.957 1062 Q CA -0.575 55.325 55.803 0.163 0.000 0.882 1062 Q CB 0.882 29.702 28.738 0.137 0.000 1.235 1062 Q HN 0.741 nan 8.270 nan 0.000 0.439 1063 L N 2.991 124.272 121.223 0.097 0.000 2.102 1063 L HA 0.232 4.572 4.340 -0.001 0.000 0.202 1063 L C -1.016 175.886 176.870 0.053 0.000 1.076 1063 L CA 0.552 55.445 54.840 0.088 0.000 0.761 1063 L CB -1.661 40.469 42.059 0.117 0.000 0.921 1063 L HN 0.553 nan 8.230 nan 0.000 0.444 1064 P HA 0.225 nan 4.420 nan 0.000 0.245 1064 P C 0.863 178.162 177.300 -0.000 0.000 1.212 1064 P CA 1.237 64.349 63.100 0.019 0.000 0.774 1064 P CB 0.467 32.170 31.700 0.006 0.000 0.999 1065 G N 0.070 108.871 108.800 0.002 0.000 2.134 1065 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.225 1065 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.225 1065 G C -1.038 173.857 174.900 -0.008 0.000 1.944 1065 G CA -0.492 44.605 45.100 -0.005 0.000 1.512 1065 G HN 0.378 nan 8.290 nan 0.000 0.493 1066 Q N 0.688 120.473 119.800 -0.026 0.000 2.418 1066 Q HA 0.459 4.799 4.340 -0.001 0.000 0.240 1066 Q C -1.840 174.121 176.000 -0.064 0.000 0.859 1066 Q CA -0.302 55.484 55.803 -0.029 0.000 0.916 1066 Q CB 2.377 31.107 28.738 -0.014 0.000 1.448 1066 Q HN 0.533 nan 8.270 nan 0.000 0.439 1067 E N 1.222 121.363 120.200 -0.098 0.000 2.133 1067 E HA 0.434 4.783 4.350 -0.001 0.000 0.274 1067 E C -0.120 176.463 176.600 -0.029 0.000 0.930 1067 E CA -0.424 55.868 56.400 -0.180 0.000 0.770 1067 E CB 1.468 30.916 29.700 -0.420 0.000 1.104 1067 E HN 0.702 nan 8.360 nan 0.000 0.403 1068 A N 3.836 126.708 122.820 0.087 0.000 2.291 1068 A HA 0.035 4.355 4.320 -0.001 0.000 0.220 1068 A C 0.652 178.396 177.584 0.267 0.000 1.262 1068 A CA -0.028 52.094 52.037 0.142 0.000 0.867 1068 A CB -0.351 18.718 19.000 0.115 0.000 0.888 1068 A HN 0.513 nan 8.150 nan 0.000 0.487 1069 F N 0.326 120.253 119.950 -0.039 0.000 2.641 1069 F HA -0.051 4.476 4.527 -0.001 0.000 0.298 1069 F C 1.872 177.647 175.800 -0.043 0.000 1.146 1069 F CA 0.504 58.477 58.000 -0.044 0.000 1.464 1069 F CB -0.550 38.394 39.000 -0.094 0.000 1.101 1069 F HN 0.427 nan 8.300 nan 0.000 0.585 1070 M N -0.595 119.091 119.600 0.143 0.000 2.853 1070 M HA 0.327 4.807 4.480 -0.001 0.000 0.274 1070 M C 0.136 176.449 176.300 0.020 0.000 1.289 1070 M CA 0.298 55.639 55.300 0.069 0.000 1.031 1070 M CB 0.195 32.853 32.600 0.097 0.000 1.352 1070 M HN -0.030 nan 8.290 nan 0.000 0.485 1071 R N 1.255 121.771 120.500 0.027 0.000 3.101 1071 R HA 0.609 4.949 4.340 -0.001 0.000 0.242 1071 R C -1.285 175.027 176.300 0.021 0.000 1.831 1071 R CA -0.018 56.088 56.100 0.009 0.000 1.321 1071 R CB 0.798 31.110 30.300 0.021 0.000 1.512 1071 R HN 0.443 nan 8.270 nan 0.000 0.568 1072 A N 1.747 124.575 122.820 0.014 0.000 2.249 1072 A HA 0.561 4.881 4.320 -0.001 0.000 0.281 1072 A C -0.592 177.098 177.584 0.177 0.000 1.127 1072 A CA -0.273 51.829 52.037 0.109 0.000 0.833 1072 A CB 1.009 20.153 19.000 0.241 0.000 1.140 1072 A HN 0.649 nan 8.150 nan 0.000 0.502 1073 Q N -1.470 118.493 119.800 0.272 0.000 2.426 1073 Q HA 0.519 4.859 4.340 -0.001 0.000 0.278 1073 Q C -1.909 174.176 176.000 0.141 0.000 1.007 1073 Q CA -0.440 55.500 55.803 0.229 0.000 0.850 1073 Q CB 2.146 30.939 28.738 0.092 0.000 1.427 1073 Q HN 0.680 nan 8.270 nan 0.000 0.391 1074 T N 1.915 116.535 114.554 0.110 0.000 2.949 1074 T HA 0.316 4.666 4.350 -0.001 0.000 0.300 1074 T C -1.125 173.548 174.700 -0.046 0.000 0.988 1074 T CA -0.444 61.585 62.100 -0.118 0.000 0.993 1074 T CB 1.543 70.455 68.868 0.072 0.000 0.984 1074 T HN 0.458 nan 8.240 nan 0.000 0.442 1075 T N 3.150 117.578 114.554 -0.210 0.000 2.821 1075 T HA 0.464 4.814 4.350 -0.001 0.000 0.307 1075 T C 0.058 174.904 174.700 0.244 0.000 1.034 1075 T CA -0.242 61.869 62.100 0.019 0.000 0.953 1075 T CB 0.189 69.058 68.868 0.002 0.000 0.968 1075 T HN 0.509 nan 8.240 nan 0.000 0.462 1076 T N 4.014 118.785 114.554 0.361 0.000 2.899 1076 T HA 0.585 4.935 4.350 -0.001 0.000 0.284 1076 T C -0.283 174.470 174.700 0.088 0.000 1.004 1076 T CA -0.492 61.809 62.100 0.335 0.000 1.043 1076 T CB 1.193 70.195 68.868 0.223 0.000 1.013 1076 T HN 0.493 nan 8.240 nan 0.000 0.518 1077 V N 2.898 122.771 119.914 -0.069 0.000 2.680 1077 V HA 0.427 4.546 4.120 -0.001 0.000 0.309 1077 V C -0.456 175.389 176.094 -0.414 0.000 1.052 1077 V CA -0.737 61.460 62.300 -0.171 0.000 0.908 1077 V CB 1.760 33.490 31.823 -0.154 0.000 1.001 1077 V HN 0.624 nan 8.190 nan 0.000 0.431 1078 L N 3.015 124.058 121.223 -0.299 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 0.402 55.027 54.840 -0.359 0.000 0.992 1078 L CB 0.424 42.352 42.059 -0.218 0.000 1.390 1078 L HN 0.753 nan 8.230 nan 0.000 0.550 1079 E N 2.309 122.344 120.200 -0.275 0.000 2.159 1079 E HA 0.102 4.452 4.350 -0.001 0.000 0.272 1079 E C -0.618 175.857 176.600 -0.207 0.000 1.138 1079 E CA 0.093 56.364 56.400 -0.214 0.000 0.915 1079 E CB 0.279 29.829 29.700 -0.250 0.000 1.028 1079 E HN 0.133 nan 8.360 nan 0.000 0.423 1080 K N 4.878 125.232 120.400 -0.078 0.000 2.640 1080 K HA 0.151 4.470 4.320 -0.001 0.000 0.245 1080 K C -1.394 175.279 176.600 0.123 0.000 0.962 1080 K CA -0.703 55.584 56.287 -0.001 0.000 0.896 1080 K CB 1.175 33.704 32.500 0.048 0.000 1.147 1080 K HN 0.442 nan 8.250 nan 0.000 0.445 1081 Y N 2.330 122.660 120.300 0.050 0.000 2.612 1081 Y HA 0.331 4.881 4.550 -0.000 0.000 0.334 1081 Y C 0.472 176.425 175.900 0.089 0.000 1.227 1081 Y CA -0.067 58.095 58.100 0.104 0.000 1.356 1081 Y CB 0.741 39.340 38.460 0.232 0.000 1.534 1081 Y HN 0.531 nan 8.280 nan 0.000 0.576 1082 K N 0.000 120.077 120.400 -0.538 0.000 2.780 1082 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1082 K CA 0.000 56.063 56.287 -0.373 0.000 0.838 1082 K CB 0.000 32.438 32.500 -0.103 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543