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 3aoi_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEIKRFGRIR EVIPLPPLTE IQVESYRRAL QADVPPEKRE NVGIQAAFRE DATA SEQUENCE TFPIEEXXXX XXGLVLDFLE YRLGEPPFPQ DECREKDLTY QAPLYARLQL DATA SEQUENCE IHKDTGLIKE DEVFLGHIPL MTEDGSFIIN GADRVIVSQI HRSPGVYFTP DATA SEQUENCE DPARPGRYIA SIIPLPKRGP WIDLEVEPNG VVSMKVNKRK FPLVLLLRVL DATA SEQUENCE GYDQETLARE LGAYGELVQG LMDESVFAMR PEEALIRLFT LLRPGDPPKR DATA SEQUENCE DKAVAYVYGL IADPRRYDLG EAGRYKAEEK LGIRLSGRTL ARFEDGEFKD DATA SEQUENCE EVFLPTLRYL FALTAGVPGH EVDDIDHLGN RRIRTVGELM TDQFRVGLAR DATA SEQUENCE LARGVRERML MGSEDSLTPA KLVNSRPLEA AIREFFSRSQ LSQFKDETNP DATA SEQUENCE LSSLRHKRRI SALGPGGLTR ERAGFDVRDV HRTHYGRICP VETPEGANIG DATA SEQUENCE LITSLAAYAR VDELGFIRTP YRRVVGGVVT DEVVYMTATE EDRYTIAQAN DATA SEQUENCE TPLEGNRIAA ERVVARRKGE PVIVSPEEVE FMDVSPKQVF SVNTNLIPFL DATA SEQUENCE EHDDANRALM GSNMQTQAVP LIRAQAPVVM TGLEERVVRD SLAALYAEED DATA SEQUENCE GEVAKVDGNR IVVRYEDGRL VEYPLRRFYR SNQGTALDQR PRVVVGQRVR DATA SEQUENCE KGDLLADGPA SENGFLALGQ NVLVAIMPFD GYNFEDAIVI SEELLKRDFY DATA SEQUENCE TSIHIERYEI EARDTKLGPE RITRDIPHLS EAALRDLDEE GVVRIGAEVK DATA SEQUENCE PGDILVGRTS FKXXXXXXXX XXXXXXXXXX XXXXXKDTSL RVPPGEGGIV DATA SEQUENCE VRTVRLRRGD PGVELKPGVR EVVRVYVAQK RKLQVGDKLA NRHGNKGVVA DATA SEQUENCE KILPVEDMPH LPDGTPVDVI LNPLGVPSRM NLGQILETHL GLAGYFLGQR DATA SEQUENCE YISPIFDGAK EPEIKELLAQ AFEVYFGKRK GEGFGVDKRE VEVLRRAEKL DATA SEQUENCE GLVTPGKTPE EQLKELFLQG KVVLYDGRTG EPIEGPIVVG QMFIMKLYHM DATA SEQUENCE VEDKMHARST GPYSLITQQP LGGKAQFGGQ RFGEMEVWAL EAYGAAHTLQ DATA SEQUENCE EMLTLKSDDI EGRNAAYEAI IKGEDVPEPS VPESFRVLVK ELQALALDVQ DATA SEQUENCE TLDEKDNPVD IF 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.277 176.300 -0.038 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 2 E N 2.756 122.915 120.200 -0.067 0.000 2.343 2 E HA 0.539 4.897 4.350 0.013 0.000 0.269 2 E C -0.953 175.562 176.600 -0.142 0.000 1.047 2 E CA -0.572 55.779 56.400 -0.082 0.000 0.874 2 E CB 1.293 30.945 29.700 -0.079 0.000 1.033 2 E HN 0.354 nan 8.360 nan 0.000 0.409 3 I N 2.638 123.139 120.570 -0.115 0.000 2.359 3 I HA 0.182 4.360 4.170 0.013 0.000 0.284 3 I C -0.151 175.858 176.117 -0.180 0.000 1.018 3 I CA -0.214 60.995 61.300 -0.152 0.000 1.173 3 I CB 0.911 38.873 38.000 -0.063 0.000 1.326 3 I HN 0.286 nan 8.210 nan 0.000 0.462 4 K N 7.176 127.410 120.400 -0.277 0.000 2.206 4 K HA 0.703 5.031 4.320 0.013 0.000 0.264 4 K C -0.612 175.723 176.600 -0.442 0.000 0.967 4 K CA -0.787 55.335 56.287 -0.275 0.000 0.844 4 K CB 1.257 33.636 32.500 -0.203 0.000 1.099 4 K HN 0.691 nan 8.250 nan 0.000 0.441 5 R N 2.700 122.939 120.500 -0.434 0.000 2.599 5 R HA 0.376 4.724 4.340 0.013 0.000 0.295 5 R C -1.076 174.926 176.300 -0.495 0.000 0.963 5 R CA -0.742 55.050 56.100 -0.513 0.000 0.883 5 R CB 0.546 30.714 30.300 -0.219 0.000 1.171 5 R HN 0.298 nan 8.270 nan 0.000 0.450 6 F N 1.273 121.279 119.950 0.092 0.000 2.508 6 F HA 0.439 4.974 4.527 0.013 0.000 0.329 6 F C 0.611 176.455 175.800 0.074 0.000 1.198 6 F CA -1.018 57.037 58.000 0.093 0.000 1.268 6 F CB 0.931 40.002 39.000 0.118 0.000 1.584 6 F HN 0.755 nan 8.300 nan 0.000 0.570 7 G N 0.788 109.679 108.800 0.152 0.000 2.368 7 G HA2 0.509 4.477 3.960 0.013 0.000 0.320 7 G HA3 0.509 4.477 3.960 0.013 0.000 0.320 7 G C 0.440 175.403 174.900 0.105 0.000 1.158 7 G CA -0.627 44.545 45.100 0.122 0.000 0.912 7 G HN 0.525 nan 8.290 nan 0.000 0.456 8 R N 1.343 121.906 120.500 0.105 0.000 2.446 8 R HA 0.153 4.501 4.340 0.013 0.000 0.254 8 R C 0.689 177.026 176.300 0.063 0.000 0.918 8 R CA -0.088 56.062 56.100 0.083 0.000 1.069 8 R CB 0.524 30.879 30.300 0.091 0.000 1.194 8 R HN 0.699 nan 8.270 nan 0.000 0.534 9 I N 0.486 121.094 120.570 0.063 0.000 2.269 9 I HA 0.319 4.497 4.170 0.013 0.000 0.293 9 I C -0.187 175.951 176.117 0.036 0.000 1.106 9 I CA -0.877 60.451 61.300 0.047 0.000 1.248 9 I CB 0.589 38.620 38.000 0.051 0.000 1.444 9 I HN -0.312 nan 8.210 nan 0.000 0.497 10 R N 5.064 125.581 120.500 0.028 0.000 3.908 10 R HA -0.073 4.275 4.340 0.013 0.000 0.299 10 R C -0.169 176.141 176.300 0.017 0.000 0.624 10 R CA 0.547 56.660 56.100 0.022 0.000 0.997 10 R CB -0.608 29.702 30.300 0.016 0.000 0.917 10 R HN 0.696 nan 8.270 nan 0.000 0.339 11 E N 1.965 122.179 120.200 0.023 0.000 2.037 11 E HA -0.076 4.282 4.350 0.013 0.000 0.253 11 E C 1.408 178.021 176.600 0.022 0.000 1.265 11 E CA -0.168 56.247 56.400 0.024 0.000 0.972 11 E CB 0.556 30.281 29.700 0.041 0.000 1.054 11 E HN 0.300 nan 8.360 nan 0.000 0.432 12 V N 5.221 125.139 119.914 0.006 0.000 2.255 12 V HA -0.180 3.948 4.120 0.013 0.000 0.247 12 V C 0.809 176.917 176.094 0.024 0.000 1.051 12 V CA 1.946 64.250 62.300 0.007 0.000 1.018 12 V CB -0.034 31.782 31.823 -0.011 0.000 0.641 12 V HN 0.561 nan 8.190 nan 0.000 0.445 13 I N -2.225 118.372 120.570 0.044 0.000 2.569 13 I HA 0.687 4.865 4.170 0.013 0.000 0.296 13 I C -2.602 173.598 176.117 0.137 0.000 1.028 13 I CA -2.610 58.738 61.300 0.080 0.000 1.082 13 I CB 1.390 39.444 38.000 0.090 0.000 1.264 13 I HN -0.008 nan 8.210 nan 0.000 0.429 14 P HA 0.204 nan 4.420 nan 0.000 0.270 14 P C -0.792 176.542 177.300 0.055 0.000 1.223 14 P CA -0.286 62.852 63.100 0.064 0.000 0.785 14 P CB 0.360 32.069 31.700 0.016 0.000 0.923 15 L N 3.204 124.391 121.223 -0.059 0.000 2.483 15 L HA 0.201 4.549 4.340 0.013 0.000 0.276 15 L C -1.773 174.968 176.870 -0.216 0.000 1.213 15 L CA -0.695 53.956 54.840 -0.316 0.000 0.843 15 L CB -1.141 40.718 42.059 -0.333 0.000 1.107 15 L HN 0.379 nan 8.230 nan 0.000 0.487 16 P HA 0.216 nan 4.420 nan 0.000 0.277 16 P C -2.557 174.660 177.300 -0.138 0.000 1.276 16 P CA -1.432 61.581 63.100 -0.144 0.000 0.788 16 P CB -0.214 31.408 31.700 -0.129 0.000 1.114 17 P HA 0.054 nan 4.420 nan 0.000 0.263 17 P C 0.570 177.812 177.300 -0.097 0.000 1.345 17 P CA 0.197 63.242 63.100 -0.090 0.000 1.119 17 P CB -0.345 31.309 31.700 -0.076 0.000 1.363 18 L N 2.677 123.840 121.223 -0.100 0.000 2.151 18 L HA -0.234 4.114 4.340 0.013 0.000 0.215 18 L C 1.714 178.537 176.870 -0.077 0.000 1.084 18 L CA 2.205 56.989 54.840 -0.094 0.000 0.764 18 L CB -1.149 40.861 42.059 -0.082 0.000 0.891 18 L HN 0.275 nan 8.230 nan 0.000 0.435 19 T N -1.958 112.554 114.554 -0.069 0.000 3.145 19 T HA 0.025 4.383 4.350 0.013 0.000 0.255 19 T C 1.438 176.098 174.700 -0.066 0.000 1.039 19 T CA 0.409 62.470 62.100 -0.065 0.000 0.928 19 T CB -0.072 68.759 68.868 -0.061 0.000 1.029 19 T HN 0.552 nan 8.240 nan 0.000 0.554 20 E N 1.573 121.730 120.200 -0.071 0.000 2.169 20 E HA -0.248 4.110 4.350 0.013 0.000 0.202 20 E C 1.422 177.985 176.600 -0.062 0.000 1.016 20 E CA 1.313 57.671 56.400 -0.069 0.000 0.817 20 E CB -0.813 28.835 29.700 -0.086 0.000 0.736 20 E HN 0.338 nan 8.360 nan 0.000 0.462 21 I N 1.768 122.299 120.570 -0.066 0.000 2.064 21 I HA -0.389 3.789 4.170 0.013 0.000 0.234 21 I C 2.812 178.903 176.117 -0.044 0.000 1.019 21 I CA 2.161 63.425 61.300 -0.060 0.000 1.301 21 I CB -0.935 37.029 38.000 -0.061 0.000 1.017 21 I HN 0.216 nan 8.210 nan 0.000 0.392 22 Q N -0.289 119.483 119.800 -0.047 0.000 2.020 22 Q HA -0.119 4.229 4.340 0.013 0.000 0.198 22 Q C 2.338 178.327 176.000 -0.019 0.000 0.974 22 Q CA 1.721 57.499 55.803 -0.041 0.000 0.829 22 Q CB -0.386 28.311 28.738 -0.068 0.000 0.894 22 Q HN 0.392 nan 8.270 nan 0.000 0.433 23 V N 1.787 121.679 119.914 -0.037 0.000 2.232 23 V HA -0.331 3.797 4.120 0.013 0.000 0.251 23 V C 2.237 178.345 176.094 0.023 0.000 1.048 23 V CA 2.177 64.466 62.300 -0.019 0.000 1.029 23 V CB -0.736 31.064 31.823 -0.038 0.000 0.658 23 V HN 0.373 nan 8.190 nan 0.000 0.464 24 E N -0.176 120.024 120.200 -0.001 0.000 2.130 24 E HA -0.224 4.134 4.350 0.013 0.000 0.196 24 E C 2.530 179.150 176.600 0.033 0.000 0.998 24 E CA 1.714 58.116 56.400 0.004 0.000 0.806 24 E CB -0.589 29.096 29.700 -0.026 0.000 0.738 24 E HN 0.576 nan 8.360 nan 0.000 0.459 25 S N -0.503 115.222 115.700 0.041 0.000 2.374 25 S HA -0.200 4.278 4.470 0.013 0.000 0.227 25 S C 1.893 176.604 174.600 0.186 0.000 1.037 25 S CA 1.027 59.271 58.200 0.073 0.000 1.024 25 S CB -0.217 63.013 63.200 0.049 0.000 0.861 25 S HN 0.297 nan 8.310 nan 0.000 0.456 26 Y N 2.052 122.365 120.300 0.021 0.000 2.286 26 Y HA 0.211 4.769 4.550 0.013 0.000 0.293 26 Y C 2.473 178.390 175.900 0.027 0.000 1.124 26 Y CA 0.997 59.131 58.100 0.056 0.000 1.178 26 Y CB -0.726 37.783 38.460 0.081 0.000 1.010 26 Y HN 0.271 nan 8.280 nan 0.000 0.536 27 R N 0.194 120.747 120.500 0.088 0.000 2.082 27 R HA -0.208 4.140 4.340 0.013 0.000 0.234 27 R C 2.448 178.737 176.300 -0.019 0.000 1.136 27 R CA 1.995 58.096 56.100 0.003 0.000 0.935 27 R CB -0.357 29.950 30.300 0.012 0.000 0.842 27 R HN 0.164 nan 8.270 nan 0.000 0.430 28 R N -0.200 120.300 120.500 0.000 0.000 2.148 28 R HA -0.053 4.295 4.340 0.013 0.000 0.227 28 R C 2.080 178.357 176.300 -0.038 0.000 1.103 28 R CA 1.007 57.097 56.100 -0.016 0.000 0.983 28 R CB -0.136 30.157 30.300 -0.012 0.000 0.874 28 R HN 0.374 nan 8.270 nan 0.000 0.451 29 A N 1.276 124.087 122.820 -0.015 0.000 1.851 29 A HA -0.125 4.203 4.320 0.013 0.000 0.216 29 A C 0.971 178.450 177.584 -0.175 0.000 1.195 29 A CA 1.161 53.176 52.037 -0.037 0.000 0.622 29 A CB -0.261 18.820 19.000 0.136 0.000 0.831 29 A HN 0.295 nan 8.150 nan 0.000 0.444 30 L N -2.526 118.556 121.223 -0.235 0.000 2.408 30 L HA 0.417 4.765 4.340 0.013 0.000 0.257 30 L C 0.034 176.831 176.870 -0.122 0.000 1.053 30 L CA -0.393 54.282 54.840 -0.274 0.000 0.922 30 L CB 0.893 42.733 42.059 -0.365 0.000 1.261 30 L HN 0.294 nan 8.230 nan 0.000 0.458 31 Q N 2.429 122.199 119.800 -0.050 0.000 2.684 31 Q HA 0.158 4.506 4.340 0.013 0.000 0.233 31 Q C 0.620 176.739 176.000 0.199 0.000 1.352 31 Q CA 0.533 56.377 55.803 0.069 0.000 0.872 31 Q CB 0.611 29.407 28.738 0.096 0.000 1.674 31 Q HN 0.924 nan 8.270 nan 0.000 0.558 32 A N 3.131 126.028 122.820 0.128 0.000 2.348 32 A HA 0.065 4.393 4.320 0.013 0.000 0.224 32 A C 1.005 178.636 177.584 0.080 0.000 1.227 32 A CA -0.037 52.093 52.037 0.155 0.000 0.885 32 A CB 0.461 19.540 19.000 0.133 0.000 0.933 32 A HN 0.612 nan 8.150 nan 0.000 0.506 33 D N -0.070 120.364 120.400 0.057 0.000 2.327 33 D HA 0.092 4.740 4.640 0.013 0.000 0.205 33 D C 0.351 176.669 176.300 0.031 0.000 0.989 33 D CA 0.920 54.943 54.000 0.038 0.000 0.873 33 D CB 0.649 41.466 40.800 0.027 0.000 0.955 33 D HN 0.334 nan 8.370 nan 0.000 0.515 34 V N -0.184 119.753 119.914 0.039 0.000 2.715 34 V HA 0.454 4.582 4.120 0.013 0.000 0.310 34 V C -2.552 173.553 176.094 0.018 0.000 1.054 34 V CA -2.381 59.935 62.300 0.027 0.000 0.928 34 V CB 1.384 33.225 31.823 0.030 0.000 1.007 34 V HN -0.269 nan 8.190 nan 0.000 0.437 35 P HA 0.147 nan 4.420 nan 0.000 0.270 35 P C -1.999 175.291 177.300 -0.018 0.000 1.221 35 P CA -0.865 62.219 63.100 -0.027 0.000 0.788 35 P CB 0.118 31.806 31.700 -0.021 0.000 0.904 36 P HA -0.081 nan 4.420 nan 0.000 0.237 36 P C 0.661 177.975 177.300 0.023 0.000 1.178 36 P CA 1.130 64.221 63.100 -0.015 0.000 0.766 36 P CB 0.214 31.863 31.700 -0.085 0.000 0.876 37 E N 0.839 121.042 120.200 0.005 0.000 2.152 37 E HA -0.118 4.240 4.350 0.013 0.000 0.192 37 E C 1.400 178.016 176.600 0.025 0.000 0.983 37 E CA 1.006 57.413 56.400 0.011 0.000 0.818 37 E CB -0.129 29.571 29.700 -0.000 0.000 0.758 37 E HN 0.338 nan 8.360 nan 0.000 0.467 38 K N 1.330 121.748 120.400 0.029 0.000 2.618 38 K HA 0.063 4.391 4.320 0.013 0.000 0.207 38 K C -0.586 176.046 176.600 0.054 0.000 1.058 38 K CA -0.355 55.953 56.287 0.035 0.000 1.086 38 K CB 0.350 32.865 32.500 0.025 0.000 0.827 38 K HN -0.104 nan 8.250 nan 0.000 0.481 39 R N 1.457 122.005 120.500 0.080 0.000 2.585 39 R HA -0.031 4.317 4.340 0.013 0.000 0.275 39 R C 0.186 176.546 176.300 0.100 0.000 1.018 39 R CA -0.039 56.141 56.100 0.133 0.000 1.072 39 R CB -0.381 30.066 30.300 0.246 0.000 0.953 39 R HN 0.299 nan 8.270 nan 0.000 0.419 40 E N 1.389 121.641 120.200 0.086 0.000 2.824 40 E HA -0.298 4.060 4.350 0.013 0.000 0.298 40 E C -0.218 176.394 176.600 0.019 0.000 1.457 40 E CA 0.707 57.129 56.400 0.036 0.000 1.472 40 E CB 0.099 29.805 29.700 0.009 0.000 0.918 40 E HN 0.790 nan 8.360 nan 0.000 0.523 41 N N -1.587 117.109 118.700 -0.006 0.000 2.113 41 N HA 0.105 4.853 4.740 0.013 0.000 0.223 41 N C -0.139 175.350 175.510 -0.034 0.000 1.310 41 N CA 0.371 53.413 53.050 -0.013 0.000 0.896 41 N CB 1.064 39.550 38.487 -0.002 0.000 1.097 41 N HN 0.385 nan 8.380 nan 0.000 0.507 42 V N -1.998 117.886 119.914 -0.050 0.000 4.876 42 V HA 0.738 4.866 4.120 0.013 0.000 0.280 42 V C 1.560 177.583 176.094 -0.118 0.000 1.427 42 V CA -0.204 62.057 62.300 -0.065 0.000 0.805 42 V CB -0.350 31.446 31.823 -0.046 0.000 1.337 42 V HN 0.125 nan 8.190 nan 0.000 0.439 43 G N 0.006 108.736 108.800 -0.116 0.000 2.529 43 G HA2 -0.271 3.697 3.960 0.013 0.000 0.491 43 G HA3 -0.271 3.697 3.960 0.013 0.000 0.491 43 G C 0.790 175.505 174.900 -0.309 0.000 1.387 43 G CA 1.099 46.093 45.100 -0.177 0.000 0.928 43 G HN 0.922 nan 8.290 nan 0.000 0.515 44 I N 0.390 120.666 120.570 -0.490 0.000 2.496 44 I HA -0.367 3.811 4.170 0.013 0.000 0.220 44 I C 2.793 178.519 176.117 -0.652 0.000 0.937 44 I CA 2.825 63.635 61.300 -0.816 0.000 1.248 44 I CB -1.638 35.801 38.000 -0.935 0.000 0.955 44 I HN 0.814 nan 8.210 nan 0.000 0.374 45 Q N 0.327 119.781 119.800 -0.578 0.000 2.133 45 Q HA -0.258 4.090 4.340 0.013 0.000 0.208 45 Q C 2.202 178.066 176.000 -0.226 0.000 0.991 45 Q CA 2.673 58.264 55.803 -0.355 0.000 0.867 45 Q CB -0.051 28.556 28.738 -0.218 0.000 0.911 45 Q HN 0.595 nan 8.270 nan 0.000 0.417 46 A N 0.789 123.497 122.820 -0.187 0.000 1.858 46 A HA -0.109 4.219 4.320 0.013 0.000 0.216 46 A C 2.339 179.874 177.584 -0.081 0.000 1.190 46 A CA 1.888 53.861 52.037 -0.107 0.000 0.617 46 A CB -1.107 17.845 19.000 -0.081 0.000 0.827 46 A HN 0.578 nan 8.150 nan 0.000 0.443 47 A N -1.443 121.302 122.820 -0.125 0.000 1.978 47 A HA -0.043 4.285 4.320 0.013 0.000 0.220 47 A C 1.921 179.514 177.584 0.016 0.000 1.170 47 A CA 1.659 53.653 52.037 -0.072 0.000 0.636 47 A CB -0.675 18.265 19.000 -0.100 0.000 0.810 47 A HN 0.435 nan 8.150 nan 0.000 0.448 48 F N -0.410 119.498 119.950 -0.071 0.000 2.022 48 F HA -0.061 4.474 4.527 0.013 0.000 0.293 48 F C 2.360 178.186 175.800 0.044 0.000 1.142 48 F CA 1.612 59.611 58.000 -0.000 0.000 1.177 48 F CB -0.942 37.841 39.000 -0.361 0.000 0.982 48 F HN 0.158 nan 8.300 nan 0.000 0.473 49 R N 0.957 121.490 120.500 0.055 0.000 2.174 49 R HA -0.233 4.115 4.340 0.013 0.000 0.253 49 R C 2.169 178.554 176.300 0.142 0.000 1.165 49 R CA 1.766 57.899 56.100 0.055 0.000 0.984 49 R CB -0.639 29.645 30.300 -0.026 0.000 0.873 49 R HN 0.529 nan 8.270 nan 0.000 0.456 50 E N -0.680 119.587 120.200 0.113 0.000 2.012 50 E HA -0.224 4.134 4.350 0.013 0.000 0.211 50 E C 0.689 177.360 176.600 0.117 0.000 1.029 50 E CA 2.359 58.812 56.400 0.087 0.000 0.867 50 E CB -0.307 29.424 29.700 0.052 0.000 0.790 50 E HN 0.470 nan 8.360 nan 0.000 0.482 51 T N -1.908 112.729 114.554 0.139 0.000 3.244 51 T HA 0.137 4.495 4.350 0.013 0.000 0.254 51 T C 0.955 175.732 174.700 0.127 0.000 1.024 51 T CA -0.384 61.779 62.100 0.104 0.000 0.920 51 T CB -0.071 68.827 68.868 0.050 0.000 1.042 51 T HN 0.140 nan 8.240 nan 0.000 0.572 52 F N 2.543 122.575 119.950 0.137 0.000 2.148 52 F HA 0.330 4.865 4.527 0.013 0.000 0.285 52 F C -1.860 174.012 175.800 0.120 0.000 1.092 52 F CA -0.700 57.396 58.000 0.159 0.000 1.218 52 F CB -0.671 38.449 39.000 0.200 0.000 1.059 52 F HN 0.015 nan 8.300 nan 0.000 0.490 53 P HA -0.055 nan 4.420 nan 0.000 0.252 53 P C -0.398 177.009 177.300 0.178 0.000 1.183 53 P CA 0.779 64.042 63.100 0.272 0.000 0.973 53 P CB -0.204 31.610 31.700 0.190 0.000 0.990 54 I N 2.964 123.628 120.570 0.156 0.000 2.365 54 I HA 0.291 4.469 4.170 0.013 0.000 0.291 54 I C 0.103 176.263 176.117 0.072 0.000 1.004 54 I CA -0.522 60.826 61.300 0.079 0.000 1.311 54 I CB 1.034 39.050 38.000 0.027 0.000 1.401 54 I HN 0.107 nan 8.210 nan 0.000 0.491 55 E N 7.658 127.890 120.200 0.054 0.000 2.283 55 E HA 0.284 4.642 4.350 0.013 0.000 0.258 55 E C -1.131 175.488 176.600 0.032 0.000 0.893 55 E CA -0.494 55.934 56.400 0.046 0.000 0.798 55 E CB 0.961 30.691 29.700 0.050 0.000 1.242 55 E HN 0.523 nan 8.360 nan 0.000 0.414 64 L N 1.192 122.421 121.223 0.010 0.000 2.344 64 L HA 0.910 5.258 4.340 0.013 0.000 0.272 64 L C -0.576 176.321 176.870 0.045 0.000 1.035 64 L CA -0.769 54.078 54.840 0.013 0.000 0.807 64 L CB 2.177 44.236 42.059 -0.000 0.000 1.237 64 L HN 0.516 nan 8.230 nan 0.000 0.442 65 V N 5.177 125.131 119.914 0.068 0.000 2.674 65 V HA 0.319 4.447 4.120 0.013 0.000 0.279 65 V C -1.296 174.869 176.094 0.119 0.000 1.051 65 V CA -0.378 61.978 62.300 0.093 0.000 0.912 65 V CB 1.427 33.307 31.823 0.095 0.000 1.044 65 V HN 0.592 nan 8.190 nan 0.000 0.464 66 L N 4.414 125.719 121.223 0.137 0.000 2.319 66 L HA 0.766 5.114 4.340 0.013 0.000 0.281 66 L C -0.554 176.515 176.870 0.332 0.000 1.005 66 L CA 0.446 55.400 54.840 0.190 0.000 0.828 66 L CB 1.333 43.471 42.059 0.133 0.000 1.227 66 L HN 0.533 nan 8.230 nan 0.000 0.415 67 D N 3.057 123.637 120.400 0.300 0.000 2.299 67 D HA 0.276 4.924 4.640 0.013 0.000 0.243 67 D C -1.026 175.228 176.300 -0.076 0.000 0.982 67 D CA -0.162 53.990 54.000 0.254 0.000 0.924 67 D CB 2.049 42.908 40.800 0.099 0.000 1.238 67 D HN 0.345 nan 8.370 nan 0.000 0.484 68 F N 1.222 120.679 119.950 -0.821 0.000 2.375 68 F HA 0.258 4.793 4.527 0.013 0.000 0.333 68 F C 0.209 175.659 175.800 -0.584 0.000 1.104 68 F CA -0.096 57.032 58.000 -1.454 0.000 1.149 68 F CB 0.649 38.654 39.000 -1.660 0.000 1.190 68 F HN 0.237 nan 8.300 nan 0.000 0.533 69 L N 1.720 122.085 121.223 -1.431 0.000 3.087 69 L HA 0.408 4.756 4.340 0.013 0.000 0.169 69 L C -0.633 175.620 176.870 -1.029 0.000 1.276 69 L CA -0.207 54.127 54.840 -0.842 0.000 0.865 69 L CB 0.158 41.894 42.059 -0.539 0.000 1.368 69 L HN 0.487 nan 8.230 nan 0.000 0.548 70 E N -0.839 118.686 120.200 -1.125 0.000 2.343 70 E HA 0.307 4.665 4.350 0.013 0.000 0.278 70 E C -1.819 174.531 176.600 -0.416 0.000 0.910 70 E CA -0.563 55.498 56.400 -0.565 0.000 0.757 70 E CB 2.208 31.726 29.700 -0.303 0.000 1.218 70 E HN 0.138 nan 8.360 nan 0.000 0.435 71 Y N 0.489 120.887 120.300 0.164 0.000 2.331 71 Y HA 0.780 5.338 4.550 0.013 0.000 0.338 71 Y C -0.498 175.529 175.900 0.213 0.000 0.992 71 Y CA -1.159 57.107 58.100 0.277 0.000 1.121 71 Y CB 0.850 39.680 38.460 0.616 0.000 1.184 71 Y HN 0.439 nan 8.280 nan 0.000 0.469 72 R N 4.565 125.119 120.500 0.090 0.000 2.744 72 R HA 0.884 5.232 4.340 0.013 0.000 0.279 72 R C -2.093 174.369 176.300 0.270 0.000 0.977 72 R CA -0.926 55.214 56.100 0.067 0.000 0.906 72 R CB 1.892 32.202 30.300 0.017 0.000 1.197 72 R HN 0.983 nan 8.270 nan 0.000 0.463 73 L N -1.926 119.420 121.223 0.205 0.000 2.710 73 L HA 0.948 5.296 4.340 0.013 0.000 0.260 73 L C -0.007 176.945 176.870 0.137 0.000 0.993 73 L CA 0.167 55.103 54.840 0.159 0.000 0.877 73 L CB 1.939 44.062 42.059 0.107 0.000 1.461 73 L HN 0.858 nan 8.230 nan 0.000 0.413 74 G N 0.139 109.011 108.800 0.120 0.000 4.226 74 G HA2 -0.001 3.967 3.960 0.013 0.000 0.220 74 G HA3 -0.001 3.967 3.960 0.013 0.000 0.220 74 G C -0.424 174.525 174.900 0.081 0.000 0.817 74 G CA -0.073 45.086 45.100 0.099 0.000 0.879 74 G HN 0.657 nan 8.290 nan 0.000 0.669 75 E N 2.478 122.732 120.200 0.090 0.000 2.042 75 E HA 0.502 4.860 4.350 0.013 0.000 0.260 75 E C -2.495 174.113 176.600 0.013 0.000 0.975 75 E CA -2.278 54.151 56.400 0.048 0.000 0.799 75 E CB 1.182 30.919 29.700 0.061 0.000 1.131 75 E HN 0.128 nan 8.360 nan 0.000 0.423 76 P HA 0.054 nan 4.420 nan 0.000 0.264 76 P C -2.090 175.096 177.300 -0.189 0.000 1.236 76 P CA -1.034 61.995 63.100 -0.119 0.000 0.811 76 P CB 0.759 32.338 31.700 -0.201 0.000 0.840 77 P HA -0.225 nan 4.420 nan 0.000 0.221 77 P C -0.136 176.755 177.300 -0.681 0.000 1.160 77 P CA 1.806 64.693 63.100 -0.355 0.000 0.933 77 P CB -0.045 31.589 31.700 -0.111 0.000 0.793 78 F N -3.623 116.207 119.950 -0.199 0.000 2.664 78 F HA 0.508 5.044 4.527 0.014 0.000 0.329 78 F C -2.211 173.442 175.800 -0.245 0.000 1.090 78 F CA -2.418 55.485 58.000 -0.162 0.000 0.978 78 F CB 0.218 39.151 39.000 -0.112 0.000 1.378 78 F HN -0.282 nan 8.300 nan 0.000 0.495 79 P HA 0.217 nan 4.420 nan 0.000 0.285 79 P C -0.489 176.935 177.300 0.207 0.000 1.269 79 P CA -0.435 62.709 63.100 0.074 0.000 0.844 79 P CB 1.367 33.132 31.700 0.108 0.000 1.094 80 Q N 1.537 121.629 119.800 0.488 0.000 1.914 80 Q HA -0.275 4.073 4.340 0.013 0.000 0.222 80 Q C 1.289 177.440 176.000 0.252 0.000 1.031 80 Q CA 2.430 58.531 55.803 0.497 0.000 0.886 80 Q CB -1.646 27.235 28.738 0.238 0.000 0.982 80 Q HN 0.494 nan 8.270 nan 0.000 0.417 81 D N 1.023 121.522 120.400 0.166 0.000 2.157 81 D HA -0.195 4.453 4.640 0.013 0.000 0.191 81 D C 1.909 178.282 176.300 0.123 0.000 1.004 81 D CA 1.565 55.648 54.000 0.139 0.000 0.854 81 D CB -0.235 40.648 40.800 0.138 0.000 0.936 81 D HN 0.268 nan 8.370 nan 0.000 0.446 82 E N -0.155 120.114 120.200 0.116 0.000 2.118 82 E HA -0.173 4.185 4.350 0.013 0.000 0.195 82 E C 2.167 178.787 176.600 0.033 0.000 0.992 82 E CA 0.594 57.035 56.400 0.070 0.000 0.804 82 E CB -0.395 29.364 29.700 0.099 0.000 0.741 82 E HN 0.361 nan 8.360 nan 0.000 0.458 83 C N 0.218 119.569 119.300 0.085 0.000 2.419 83 C HA -0.071 4.397 4.460 0.013 0.000 0.281 83 C C 2.614 177.641 174.990 0.061 0.000 1.336 83 C CA 0.459 59.519 59.018 0.069 0.000 1.770 83 C CB -0.758 27.091 27.740 0.183 0.000 1.929 83 C HN 0.369 nan 8.230 nan 0.000 0.509 84 R N 0.437 120.986 120.500 0.082 0.000 2.080 84 R HA -0.061 4.287 4.340 0.013 0.000 0.222 84 R C 2.141 178.478 176.300 0.061 0.000 1.107 84 R CA 1.180 57.324 56.100 0.073 0.000 0.980 84 R CB -0.430 29.928 30.300 0.096 0.000 0.879 84 R HN 0.604 nan 8.270 nan 0.000 0.439 85 E N 1.374 121.605 120.200 0.052 0.000 2.204 85 E HA -0.120 4.238 4.350 0.013 0.000 0.194 85 E C 0.990 177.591 176.600 0.002 0.000 0.989 85 E CA 1.011 57.425 56.400 0.025 0.000 0.824 85 E CB 0.334 30.036 29.700 0.002 0.000 0.756 85 E HN 0.048 nan 8.360 nan 0.000 0.477 86 K N 0.327 120.714 120.400 -0.021 0.000 2.358 86 K HA 0.069 4.397 4.320 0.013 0.000 0.197 86 K C -0.454 176.117 176.600 -0.049 0.000 1.025 86 K CA 0.683 56.935 56.287 -0.059 0.000 1.104 86 K CB 0.573 32.990 32.500 -0.138 0.000 0.855 86 K HN 0.095 nan 8.250 nan 0.000 0.531 87 D N 0.633 121.025 120.400 -0.013 0.000 3.076 87 D HA -0.167 4.481 4.640 0.013 0.000 0.218 87 D C -0.462 175.828 176.300 -0.016 0.000 1.156 87 D CA 0.443 54.442 54.000 -0.002 0.000 0.921 87 D CB -0.814 39.987 40.800 0.001 0.000 1.113 87 D HN 0.129 nan 8.370 nan 0.000 0.418 88 L N 1.004 122.203 121.223 -0.040 0.000 2.326 88 L HA 0.433 4.781 4.340 0.013 0.000 0.278 88 L C 0.454 177.333 176.870 0.015 0.000 1.092 88 L CA 0.332 55.138 54.840 -0.058 0.000 0.810 88 L CB 1.449 43.405 42.059 -0.171 0.000 1.153 88 L HN 0.115 nan 8.230 nan 0.000 0.439 89 T N 4.323 118.892 114.554 0.025 0.000 2.737 89 T HA 0.049 4.407 4.350 0.013 0.000 0.296 89 T C -0.131 174.644 174.700 0.125 0.000 0.922 89 T CA -0.228 61.924 62.100 0.086 0.000 1.079 89 T CB -0.255 68.650 68.868 0.062 0.000 0.892 89 T HN 0.362 nan 8.240 nan 0.000 0.514 90 Y N 6.291 126.641 120.300 0.082 0.000 2.529 90 Y HA 0.200 4.758 4.550 0.013 0.000 0.342 90 Y C 0.597 176.574 175.900 0.128 0.000 1.249 90 Y CA -0.019 58.145 58.100 0.108 0.000 1.810 90 Y CB -0.581 37.952 38.460 0.122 0.000 1.653 90 Y HN 0.660 nan 8.280 nan 0.000 0.451 91 Q N 2.887 122.773 119.800 0.144 0.000 2.351 91 Q HA 0.824 5.172 4.340 0.013 0.000 0.273 91 Q C -0.941 175.137 176.000 0.130 0.000 1.077 91 Q CA -1.300 54.603 55.803 0.167 0.000 0.843 91 Q CB 1.848 30.652 28.738 0.110 0.000 1.367 91 Q HN 0.569 nan 8.270 nan 0.000 0.449 92 A N 2.042 124.986 122.820 0.208 0.000 2.325 92 A HA 0.673 5.001 4.320 0.013 0.000 0.333 92 A C -2.410 175.334 177.584 0.268 0.000 1.155 92 A CA -1.787 50.366 52.037 0.192 0.000 0.814 92 A CB 0.514 19.607 19.000 0.155 0.000 1.206 92 A HN 0.437 nan 8.150 nan 0.000 0.482 93 P HA 0.362 nan 4.420 nan 0.000 0.281 93 P C -1.112 175.921 177.300 -0.445 0.000 1.252 93 P CA -0.098 62.913 63.100 -0.149 0.000 0.778 93 P CB 1.161 32.822 31.700 -0.065 0.000 0.895 94 L N 5.868 126.771 121.223 -0.533 0.000 2.376 94 L HA 0.571 4.919 4.340 0.013 0.000 0.275 94 L C -1.512 175.203 176.870 -0.258 0.000 0.987 94 L CA -0.744 53.911 54.840 -0.308 0.000 0.828 94 L CB 0.964 43.056 42.059 0.054 0.000 1.249 94 L HN 0.252 nan 8.230 nan 0.000 0.409 95 Y N 2.962 123.405 120.300 0.238 0.000 2.805 95 Y HA 1.006 5.564 4.550 0.013 0.000 0.323 95 Y C -0.174 175.857 175.900 0.218 0.000 1.279 95 Y CA -1.079 57.157 58.100 0.225 0.000 1.103 95 Y CB 1.112 39.681 38.460 0.182 0.000 1.324 95 Y HN 0.811 nan 8.280 nan 0.000 0.498 96 A N 0.216 123.237 122.820 0.335 0.000 2.594 96 A HA 0.662 4.990 4.320 0.013 0.000 0.296 96 A C -1.553 176.011 177.584 -0.034 0.000 1.056 96 A CA -1.200 50.905 52.037 0.113 0.000 0.693 96 A CB 1.321 20.380 19.000 0.098 0.000 1.278 96 A HN 0.705 nan 8.150 nan 0.000 0.408 97 R N 0.511 120.883 120.500 -0.214 0.000 2.298 97 R HA 0.489 4.837 4.340 0.013 0.000 0.310 97 R C -1.231 174.893 176.300 -0.293 0.000 1.068 97 R CA -0.246 55.725 56.100 -0.216 0.000 0.957 97 R CB 0.245 30.396 30.300 -0.248 0.000 1.003 97 R HN 0.480 nan 8.270 nan 0.000 0.454 98 L N 1.315 122.478 121.223 -0.100 0.000 2.386 98 L HA 0.426 4.774 4.340 0.013 0.000 0.271 98 L C -0.425 176.456 176.870 0.020 0.000 0.993 98 L CA -0.957 53.891 54.840 0.012 0.000 0.819 98 L CB 1.574 43.792 42.059 0.266 0.000 1.294 98 L HN 0.560 nan 8.230 nan 0.000 0.414 99 Q N 2.050 121.868 119.800 0.029 0.000 2.356 99 Q HA 0.777 5.125 4.340 0.013 0.000 0.270 99 Q C -1.382 174.671 176.000 0.089 0.000 1.058 99 Q CA -0.960 54.863 55.803 0.033 0.000 0.802 99 Q CB 2.896 31.625 28.738 -0.015 0.000 1.303 99 Q HN 0.575 nan 8.270 nan 0.000 0.444 100 L N 4.242 125.525 121.223 0.101 0.000 2.280 100 L HA 0.458 4.806 4.340 0.013 0.000 0.287 100 L C -1.304 175.680 176.870 0.190 0.000 1.023 100 L CA -0.839 54.089 54.840 0.148 0.000 0.819 100 L CB 1.053 43.206 42.059 0.156 0.000 1.212 100 L HN 0.683 nan 8.230 nan 0.000 0.420 101 I N 4.386 125.061 120.570 0.175 0.000 2.428 101 I HA 0.344 4.522 4.170 0.013 0.000 0.296 101 I C 0.400 176.702 176.117 0.310 0.000 0.985 101 I CA -0.339 61.055 61.300 0.156 0.000 1.260 101 I CB 0.791 38.841 38.000 0.084 0.000 1.389 101 I HN 0.653 nan 8.210 nan 0.000 0.484 102 H N 3.838 122.919 119.070 0.018 0.000 2.567 102 H HA 0.287 4.851 4.556 0.013 0.000 0.345 102 H C 0.622 175.959 175.328 0.015 0.000 1.169 102 H CA -0.966 55.091 56.048 0.016 0.000 1.227 102 H CB 2.059 31.828 29.762 0.012 0.000 1.607 102 H HN 0.450 nan 8.280 nan 0.000 0.534 103 K N 0.654 121.139 120.400 0.142 0.000 2.152 103 K HA -0.138 4.190 4.320 0.013 0.000 0.206 103 K C -0.300 176.348 176.600 0.080 0.000 1.048 103 K CA 1.389 57.723 56.287 0.079 0.000 0.933 103 K CB -0.244 32.284 32.500 0.047 0.000 0.721 103 K HN 0.478 nan 8.250 nan 0.000 0.447 104 D N 2.606 123.075 120.400 0.115 0.000 2.541 104 D HA 0.009 4.657 4.640 0.013 0.000 0.231 104 D C 0.482 176.815 176.300 0.055 0.000 1.163 104 D CA 0.315 54.366 54.000 0.084 0.000 1.077 104 D CB 0.543 41.412 40.800 0.116 0.000 1.110 104 D HN 0.225 nan 8.370 nan 0.000 0.499 105 T N -1.277 113.299 114.554 0.037 0.000 2.774 105 T HA -0.293 4.065 4.350 0.013 0.000 0.264 105 T C 2.085 176.777 174.700 -0.013 0.000 1.037 105 T CA 1.290 63.399 62.100 0.015 0.000 1.152 105 T CB -0.380 68.496 68.868 0.013 0.000 0.842 105 T HN 0.463 nan 8.240 nan 0.000 0.483 106 G N 0.290 109.080 108.800 -0.016 0.000 2.598 106 G HA2 0.358 4.326 3.960 0.013 0.000 0.215 106 G HA3 0.358 4.326 3.960 0.013 0.000 0.215 106 G C 0.244 175.095 174.900 -0.081 0.000 1.131 106 G CA 0.061 45.139 45.100 -0.036 0.000 0.785 106 G HN 0.448 nan 8.290 nan 0.000 0.539 107 L N -0.343 120.792 121.223 -0.147 0.000 2.354 107 L HA 0.719 5.067 4.340 0.013 0.000 0.264 107 L C -0.447 176.095 176.870 -0.547 0.000 1.008 107 L CA -0.636 54.019 54.840 -0.309 0.000 0.819 107 L CB 2.587 44.468 42.059 -0.297 0.000 1.339 107 L HN -0.075 nan 8.230 nan 0.000 0.420 108 I N 1.139 121.446 120.570 -0.439 0.000 3.093 108 I HA 0.448 4.626 4.170 0.013 0.000 0.308 108 I C -1.174 174.849 176.117 -0.157 0.000 1.303 108 I CA -0.964 60.153 61.300 -0.306 0.000 0.975 108 I CB 2.532 40.453 38.000 -0.133 0.000 1.286 108 I HN 0.326 nan 8.210 nan 0.000 0.459 109 K N 3.195 123.576 120.400 -0.032 0.000 2.541 109 K HA 0.437 4.765 4.320 0.013 0.000 0.250 109 K C -1.294 175.315 176.600 0.015 0.000 0.950 109 K CA -0.543 55.753 56.287 0.016 0.000 0.805 109 K CB 2.672 35.225 32.500 0.090 0.000 1.166 109 K HN 0.590 nan 8.250 nan 0.000 0.430 110 E N 2.130 122.326 120.200 -0.008 0.000 2.195 110 E HA 0.413 4.771 4.350 0.013 0.000 0.271 110 E C -1.389 175.202 176.600 -0.015 0.000 0.923 110 E CA -0.341 56.046 56.400 -0.021 0.000 0.790 110 E CB 1.507 31.180 29.700 -0.044 0.000 1.155 110 E HN 0.591 nan 8.360 nan 0.000 0.402 111 D N 1.212 121.602 120.400 -0.017 0.000 2.808 111 D HA 0.078 4.726 4.640 0.013 0.000 0.294 111 D C -1.928 174.367 176.300 -0.007 0.000 1.278 111 D CA -0.495 53.499 54.000 -0.010 0.000 0.756 111 D CB 1.024 41.831 40.800 0.013 0.000 1.271 111 D HN 0.368 nan 8.370 nan 0.000 0.425 112 E N 0.916 121.117 120.200 0.002 0.000 2.248 112 E HA 0.596 4.954 4.350 0.013 0.000 0.267 112 E C -1.337 175.317 176.600 0.090 0.000 0.877 112 E CA -0.867 55.547 56.400 0.023 0.000 0.759 112 E CB 1.759 31.436 29.700 -0.038 0.000 1.182 112 E HN 0.329 nan 8.360 nan 0.000 0.418 113 V N 1.768 121.773 119.914 0.152 0.000 2.483 113 V HA 0.484 4.612 4.120 0.013 0.000 0.297 113 V C -0.317 175.967 176.094 0.315 0.000 1.027 113 V CA -1.166 61.256 62.300 0.202 0.000 0.855 113 V CB 0.411 32.294 31.823 0.099 0.000 0.995 113 V HN 0.594 nan 8.190 nan 0.000 0.424 114 F N 5.111 125.206 119.950 0.242 0.000 2.472 114 F HA 0.712 5.247 4.527 0.013 0.000 0.364 114 F C 0.065 175.935 175.800 0.116 0.000 1.090 114 F CA -1.504 56.685 58.000 0.314 0.000 1.188 114 F CB 0.491 39.743 39.000 0.420 0.000 1.105 114 F HN 0.497 nan 8.300 nan 0.000 0.536 115 L N 3.391 124.601 121.223 -0.023 0.000 2.843 115 L HA 0.853 5.201 4.340 0.013 0.000 0.234 115 L C 0.308 177.107 176.870 -0.118 0.000 1.264 115 L CA -0.371 54.391 54.840 -0.130 0.000 1.052 115 L CB 0.010 42.090 42.059 0.035 0.000 1.372 115 L HN 1.219 nan 8.230 nan 0.000 0.466 116 G N 0.081 108.778 108.800 -0.172 0.000 2.795 116 G HA2 -0.202 3.766 3.960 0.013 0.000 0.664 116 G HA3 -0.202 3.766 3.960 0.013 0.000 0.664 116 G C -0.977 173.819 174.900 -0.173 0.000 1.381 116 G CA -0.588 44.446 45.100 -0.110 0.000 0.853 116 G HN 0.693 nan 8.290 nan 0.000 0.545 117 H N -0.837 118.257 119.070 0.040 0.000 2.469 117 H HA 0.653 5.217 4.556 0.013 0.000 0.342 117 H C 0.819 176.153 175.328 0.011 0.000 1.115 117 H CA -0.167 55.901 56.048 0.032 0.000 1.204 117 H CB 1.374 31.161 29.762 0.042 0.000 1.492 117 H HN 0.736 nan 8.280 nan 0.000 0.499 118 I N 0.548 121.216 120.570 0.164 0.000 2.474 118 I HA 0.571 4.749 4.170 0.013 0.000 0.294 118 I C -2.924 173.270 176.117 0.129 0.000 1.005 118 I CA -2.800 58.559 61.300 0.099 0.000 1.113 118 I CB 2.174 40.284 38.000 0.183 0.000 1.289 118 I HN 0.289 nan 8.210 nan 0.000 0.436 119 P HA 0.279 nan 4.420 nan 0.000 0.271 119 P C -0.819 176.842 177.300 0.601 0.000 1.233 119 P CA -0.055 63.200 63.100 0.258 0.000 0.789 119 P CB 0.671 32.389 31.700 0.029 0.000 0.951 120 L N 0.551 122.173 121.223 0.665 0.000 2.286 120 L HA 0.580 4.928 4.340 0.013 0.000 0.265 120 L C 0.157 177.163 176.870 0.227 0.000 1.012 120 L CA -1.033 54.121 54.840 0.523 0.000 0.818 120 L CB 1.571 43.901 42.059 0.452 0.000 1.337 120 L HN 0.292 nan 8.230 nan 0.000 0.438 121 M N 0.593 120.198 119.600 0.008 0.000 2.180 121 M HA 0.329 4.817 4.480 0.013 0.000 0.350 121 M C -0.416 175.694 176.300 -0.317 0.000 1.125 121 M CA -0.356 54.687 55.300 -0.428 0.000 1.031 121 M CB 1.509 33.984 32.600 -0.208 0.000 1.623 121 M HN 0.596 nan 8.290 nan 0.000 0.451 122 T N 2.407 116.722 114.554 -0.397 0.000 2.802 122 T HA 0.060 4.418 4.350 0.013 0.000 0.305 122 T C 0.993 175.571 174.700 -0.204 0.000 1.053 122 T CA -0.472 61.444 62.100 -0.306 0.000 1.058 122 T CB 0.553 69.252 68.868 -0.282 0.000 0.988 122 T HN 0.691 nan 8.240 nan 0.000 0.539 123 E N 0.614 120.720 120.200 -0.157 0.000 2.265 123 E HA -0.156 4.202 4.350 0.013 0.000 0.196 123 E C 1.348 177.885 176.600 -0.106 0.000 0.996 123 E CA 1.315 57.649 56.400 -0.110 0.000 0.832 123 E CB -0.086 29.560 29.700 -0.090 0.000 0.756 123 E HN 0.696 nan 8.360 nan 0.000 0.491 124 D N -1.059 119.266 120.400 -0.124 0.000 2.213 124 D HA 0.014 4.662 4.640 0.013 0.000 0.205 124 D C 1.401 177.633 176.300 -0.114 0.000 0.961 124 D CA 0.948 54.885 54.000 -0.106 0.000 0.853 124 D CB 0.073 40.811 40.800 -0.104 0.000 0.967 124 D HN 0.231 nan 8.370 nan 0.000 0.496 125 G N -0.647 108.058 108.800 -0.160 0.000 2.205 125 G HA2 -0.193 3.775 3.960 0.013 0.000 0.180 125 G HA3 -0.193 3.775 3.960 0.013 0.000 0.180 125 G C 0.355 175.109 174.900 -0.244 0.000 1.004 125 G CA 0.136 45.126 45.100 -0.184 0.000 0.670 125 G HN 0.507 nan 8.290 nan 0.000 0.496 126 S N -0.723 114.848 115.700 -0.216 0.000 2.693 126 S HA 0.865 5.343 4.470 0.013 0.000 0.276 126 S C -0.176 174.271 174.600 -0.254 0.000 1.192 126 S CA -0.382 57.723 58.200 -0.159 0.000 0.994 126 S CB 0.781 63.931 63.200 -0.084 0.000 1.012 126 S HN 0.279 nan 8.310 nan 0.000 0.550 127 F N 0.520 120.434 119.950 -0.061 0.000 2.594 127 F HA 0.642 5.177 4.527 0.013 0.000 0.335 127 F C -0.069 175.732 175.800 0.002 0.000 1.058 127 F CA -0.819 57.181 58.000 0.001 0.000 0.981 127 F CB 1.509 40.557 39.000 0.079 0.000 1.289 127 F HN 0.341 nan 8.300 nan 0.000 0.490 128 I N 2.767 123.522 120.570 0.309 0.000 2.521 128 I HA 0.215 4.393 4.170 0.013 0.000 0.277 128 I C -0.713 175.544 176.117 0.234 0.000 1.054 128 I CA -0.208 61.208 61.300 0.194 0.000 1.117 128 I CB 0.864 38.964 38.000 0.167 0.000 1.217 128 I HN 0.422 nan 8.210 nan 0.000 0.469 129 I N 4.016 124.693 120.570 0.178 0.000 6.654 129 I HA 0.132 4.310 4.170 0.013 0.000 0.186 129 I C 1.001 177.177 176.117 0.097 0.000 0.989 129 I CA -0.177 61.216 61.300 0.155 0.000 1.796 129 I CB -0.080 38.011 38.000 0.152 0.000 1.389 129 I HN 0.374 nan 8.210 nan 0.000 0.543 130 N N 1.111 119.855 118.700 0.074 0.000 2.605 130 N HA 0.331 5.079 4.740 0.013 0.000 0.282 130 N C 0.662 176.195 175.510 0.039 0.000 1.206 130 N CA 1.051 54.132 53.050 0.052 0.000 1.074 130 N CB -0.114 38.404 38.487 0.051 0.000 1.434 130 N HN 0.742 nan 8.380 nan 0.000 0.506 131 G N 0.807 109.629 108.800 0.037 0.000 4.526 131 G HA2 -0.302 3.666 3.960 0.013 0.000 0.217 131 G HA3 -0.302 3.666 3.960 0.013 0.000 0.217 131 G C 0.412 175.316 174.900 0.005 0.000 1.428 131 G CA 0.120 45.235 45.100 0.025 0.000 0.928 131 G HN 0.817 nan 8.290 nan 0.000 0.639 132 A N 0.997 123.792 122.820 -0.043 0.000 2.272 132 A HA 0.580 4.908 4.320 0.013 0.000 0.275 132 A C -0.115 177.410 177.584 -0.098 0.000 1.096 132 A CA 0.577 52.533 52.037 -0.135 0.000 0.822 132 A CB 0.217 19.015 19.000 -0.338 0.000 1.088 132 A HN 0.562 nan 8.150 nan 0.000 0.495 133 D N 0.822 121.134 120.400 -0.147 0.000 2.225 133 D HA 0.497 5.145 4.640 0.013 0.000 0.248 133 D C -0.024 176.218 176.300 -0.097 0.000 1.096 133 D CA 0.122 54.074 54.000 -0.081 0.000 0.863 133 D CB 0.842 41.586 40.800 -0.093 0.000 1.156 133 D HN 0.443 nan 8.370 nan 0.000 0.450 134 R N 0.678 121.182 120.500 0.007 0.000 2.888 134 R HA 0.762 5.110 4.340 0.013 0.000 0.266 134 R C -0.921 175.418 176.300 0.064 0.000 1.020 134 R CA -1.216 54.891 56.100 0.011 0.000 0.963 134 R CB 2.034 32.334 30.300 -0.001 0.000 1.197 134 R HN 0.172 nan 8.270 nan 0.000 0.481 135 V N 2.065 122.016 119.914 0.061 0.000 2.735 135 V HA 0.385 4.513 4.120 0.013 0.000 0.310 135 V C -0.768 175.290 176.094 -0.059 0.000 1.061 135 V CA -0.846 61.497 62.300 0.071 0.000 0.913 135 V CB 2.049 33.984 31.823 0.187 0.000 1.005 135 V HN 0.489 nan 8.190 nan 0.000 0.428 136 I N 4.991 125.499 120.570 -0.102 0.000 2.307 136 I HA 0.292 4.470 4.170 0.013 0.000 0.287 136 I C 0.228 176.260 176.117 -0.142 0.000 1.054 136 I CA -0.112 61.056 61.300 -0.219 0.000 1.218 136 I CB 1.426 39.242 38.000 -0.306 0.000 1.398 136 I HN 0.519 nan 8.210 nan 0.000 0.475 137 V N 3.787 123.604 119.914 -0.161 0.000 2.811 137 V HA 0.495 4.623 4.120 0.013 0.000 0.302 137 V C 0.712 176.741 176.094 -0.108 0.000 1.063 137 V CA -0.339 61.864 62.300 -0.161 0.000 1.088 137 V CB 0.896 32.592 31.823 -0.212 0.000 0.982 137 V HN 0.719 nan 8.190 nan 0.000 0.485 138 S N 3.553 119.194 115.700 -0.098 0.000 2.587 138 S HA 0.341 4.819 4.470 0.013 0.000 0.260 138 S C -0.174 174.383 174.600 -0.072 0.000 1.353 138 S CA -0.223 57.931 58.200 -0.076 0.000 0.995 138 S CB 0.553 63.710 63.200 -0.071 0.000 0.912 138 S HN 1.044 nan 8.310 nan 0.000 0.568 139 Q N -0.034 119.720 119.800 -0.077 0.000 2.345 139 Q HA 0.603 4.951 4.340 0.013 0.000 0.275 139 Q C -1.773 174.164 176.000 -0.105 0.000 1.063 139 Q CA -0.806 54.944 55.803 -0.088 0.000 0.819 139 Q CB 1.023 29.695 28.738 -0.110 0.000 1.356 139 Q HN 0.645 nan 8.270 nan 0.000 0.418 140 I N -0.202 120.338 120.570 -0.051 0.000 2.740 140 I HA 0.756 4.934 4.170 0.013 0.000 0.303 140 I C -0.482 175.722 176.117 0.145 0.000 1.044 140 I CA -0.275 61.047 61.300 0.036 0.000 1.064 140 I CB 1.758 39.804 38.000 0.076 0.000 1.249 140 I HN 0.892 nan 8.210 nan 0.000 0.433 141 H N 0.560 119.677 119.070 0.078 0.000 2.865 141 H HA 0.541 5.105 4.556 0.013 0.000 0.265 141 H C -1.057 174.331 175.328 0.100 0.000 1.477 141 H CA -1.352 54.752 56.048 0.093 0.000 1.157 141 H CB 0.865 30.688 29.762 0.102 0.000 1.858 141 H HN 0.442 nan 8.280 nan 0.000 0.594 142 R N 2.184 122.683 120.500 -0.001 0.000 2.272 142 R HA 0.100 4.448 4.340 0.013 0.000 0.334 142 R C -0.163 175.972 176.300 -0.276 0.000 1.117 142 R CA 0.227 56.270 56.100 -0.096 0.000 0.966 142 R CB 0.680 30.973 30.300 -0.011 0.000 1.049 142 R HN 0.653 nan 8.270 nan 0.000 0.477 143 S N 3.655 119.268 115.700 -0.144 0.000 2.670 143 S HA 0.053 4.531 4.470 0.013 0.000 0.308 143 S C -2.154 172.484 174.600 0.064 0.000 1.232 143 S CA -1.080 57.077 58.200 -0.071 0.000 1.126 143 S CB 0.168 63.566 63.200 0.331 0.000 0.897 143 S HN 0.277 nan 8.310 nan 0.000 0.508 144 P HA 0.124 nan 4.420 nan 0.000 0.245 144 P C 0.625 177.930 177.300 0.009 0.000 1.123 144 P CA 0.972 64.081 63.100 0.016 0.000 0.853 144 P CB -0.384 31.387 31.700 0.119 0.000 0.786 145 G N 1.396 110.094 108.800 -0.171 0.000 2.772 145 G HA2 0.523 4.491 3.960 0.013 0.000 0.284 145 G HA3 0.523 4.491 3.960 0.013 0.000 0.284 145 G C -1.619 172.819 174.900 -0.771 0.000 1.217 145 G CA -0.398 44.449 45.100 -0.421 0.000 0.831 145 G HN 0.210 nan 8.290 nan 0.000 0.523 146 V N 0.661 119.943 119.914 -1.054 0.000 2.531 146 V HA 0.678 4.806 4.120 0.013 0.000 0.301 146 V C -1.356 173.982 176.094 -1.259 0.000 1.034 146 V CA -0.483 61.237 62.300 -0.967 0.000 0.865 146 V CB 0.929 32.366 31.823 -0.644 0.000 0.995 146 V HN 0.625 nan 8.190 nan 0.000 0.424 147 Y N 3.226 123.274 120.300 -0.419 0.000 2.605 147 Y HA 0.681 5.239 4.550 0.013 0.000 0.343 147 Y C -0.622 175.097 175.900 -0.301 0.000 1.036 147 Y CA -1.090 56.776 58.100 -0.390 0.000 1.065 147 Y CB 2.328 40.682 38.460 -0.177 0.000 1.288 147 Y HN 0.475 nan 8.280 nan 0.000 0.481 148 F N 0.974 121.012 119.950 0.146 0.000 2.500 148 F HA 0.415 4.950 4.527 0.013 0.000 0.349 148 F C 0.029 175.863 175.800 0.057 0.000 1.127 148 F CA -0.833 57.214 58.000 0.078 0.000 0.998 148 F CB 1.996 41.016 39.000 0.034 0.000 1.237 148 F HN 0.360 nan 8.300 nan 0.000 0.439 149 T N 3.792 118.512 114.554 0.277 0.000 2.918 149 T HA 0.523 4.881 4.350 0.013 0.000 0.286 149 T C -2.764 172.087 174.700 0.250 0.000 1.026 149 T CA -2.653 59.566 62.100 0.198 0.000 1.031 149 T CB 1.671 70.628 68.868 0.147 0.000 1.046 149 T HN 0.113 nan 8.240 nan 0.000 0.479 150 P HA 0.114 nan 4.420 nan 0.000 0.268 150 P C -0.475 176.920 177.300 0.159 0.000 1.208 150 P CA -0.242 63.048 63.100 0.316 0.000 0.777 150 P CB 0.363 32.215 31.700 0.253 0.000 0.875 151 D N 2.975 123.421 120.400 0.077 0.000 2.399 151 D HA 0.029 4.677 4.640 0.013 0.000 0.241 151 D C -1.397 174.923 176.300 0.034 0.000 1.133 151 D CA -1.363 52.661 54.000 0.041 0.000 0.890 151 D CB 0.456 41.250 40.800 -0.011 0.000 1.201 151 D HN 0.144 nan 8.370 nan 0.000 0.432 152 P HA -0.171 nan 4.420 nan 0.000 0.212 152 P C 0.678 177.990 177.300 0.020 0.000 0.907 152 P CA 1.746 64.867 63.100 0.035 0.000 0.993 152 P CB -0.033 31.687 31.700 0.034 0.000 0.646 153 A N -0.713 122.114 122.820 0.012 0.000 1.832 153 A HA -0.079 4.249 4.320 0.013 0.000 0.214 153 A C 1.296 178.874 177.584 -0.010 0.000 1.204 153 A CA 0.680 52.719 52.037 0.004 0.000 0.606 153 A CB -1.155 17.847 19.000 0.003 0.000 0.849 153 A HN 0.092 nan 8.150 nan 0.000 0.445 154 R N 0.691 121.180 120.500 -0.018 0.000 2.638 154 R HA 0.030 4.378 4.340 0.013 0.000 0.351 154 R C -1.961 174.305 176.300 -0.058 0.000 0.871 154 R CA -0.648 55.430 56.100 -0.037 0.000 1.091 154 R CB 0.127 30.401 30.300 -0.044 0.000 0.900 154 R HN 0.291 nan 8.270 nan 0.000 0.405 155 P HA -0.074 nan 4.420 nan 0.000 0.239 155 P C 0.978 178.201 177.300 -0.129 0.000 1.184 155 P CA 0.692 63.750 63.100 -0.071 0.000 0.760 155 P CB 0.352 32.024 31.700 -0.046 0.000 0.884 156 G N 0.624 109.343 108.800 -0.135 0.000 2.942 156 G HA2 -0.129 3.839 3.960 0.013 0.000 0.199 156 G HA3 -0.129 3.839 3.960 0.013 0.000 0.199 156 G C 0.456 175.155 174.900 -0.335 0.000 1.440 156 G CA 0.348 45.340 45.100 -0.180 0.000 0.815 156 G HN 0.215 nan 8.290 nan 0.000 0.675 157 R N -1.149 119.143 120.500 -0.346 0.000 2.828 157 R HA 0.536 4.884 4.340 0.013 0.000 0.264 157 R C -1.128 174.878 176.300 -0.491 0.000 1.022 157 R CA -0.742 55.022 56.100 -0.560 0.000 1.021 157 R CB 1.076 31.218 30.300 -0.263 0.000 1.163 157 R HN 0.482 nan 8.270 nan 0.000 0.494 158 Y N 0.422 120.710 120.300 -0.019 0.000 2.374 158 Y HA 0.491 5.049 4.550 0.013 0.000 0.322 158 Y C 0.457 176.350 175.900 -0.011 0.000 1.275 158 Y CA -1.620 56.479 58.100 -0.001 0.000 1.307 158 Y CB 0.181 38.649 38.460 0.013 0.000 1.282 158 Y HN 0.473 nan 8.280 nan 0.000 0.509 159 I N -0.190 120.501 120.570 0.202 0.000 2.648 159 I HA 0.926 5.104 4.170 0.013 0.000 0.304 159 I C -0.439 175.796 176.117 0.196 0.000 1.009 159 I CA -1.356 60.026 61.300 0.136 0.000 1.114 159 I CB 1.629 39.697 38.000 0.113 0.000 1.293 159 I HN 0.677 nan 8.210 nan 0.000 0.449 160 A N 3.626 126.552 122.820 0.177 0.000 2.306 160 A HA 0.777 5.105 4.320 0.013 0.000 0.314 160 A C -0.162 177.561 177.584 0.232 0.000 1.164 160 A CA -0.443 51.832 52.037 0.397 0.000 0.822 160 A CB 0.740 19.965 19.000 0.376 0.000 1.130 160 A HN 0.844 nan 8.150 nan 0.000 0.496 161 S N 1.019 116.829 115.700 0.184 0.000 2.526 161 S HA 0.711 5.189 4.470 0.013 0.000 0.293 161 S C -0.929 173.588 174.600 -0.139 0.000 1.092 161 S CA -0.510 57.703 58.200 0.022 0.000 0.980 161 S CB 0.442 63.681 63.200 0.065 0.000 1.048 161 S HN 0.522 nan 8.310 nan 0.000 0.483 162 I N 5.293 125.742 120.570 -0.202 0.000 2.495 162 I HA 0.450 4.628 4.170 0.013 0.000 0.277 162 I C -0.776 175.141 176.117 -0.333 0.000 1.045 162 I CA -0.319 60.823 61.300 -0.263 0.000 1.135 162 I CB 1.282 39.158 38.000 -0.206 0.000 1.241 162 I HN 0.539 nan 8.210 nan 0.000 0.469 163 I N 8.985 129.323 120.570 -0.385 0.000 2.355 163 I HA 0.595 4.773 4.170 0.013 0.000 0.288 163 I C -2.768 173.173 176.117 -0.293 0.000 0.999 163 I CA -1.837 59.152 61.300 -0.518 0.000 1.163 163 I CB 2.252 39.840 38.000 -0.686 0.000 1.316 163 I HN 0.249 nan 8.210 nan 0.000 0.454 164 P HA 0.349 nan 4.420 nan 0.000 0.314 164 P C -1.154 176.137 177.300 -0.015 0.000 1.560 164 P CA -0.677 62.393 63.100 -0.051 0.000 1.196 164 P CB 2.674 34.385 31.700 0.019 0.000 1.282 165 L N 5.983 127.218 121.223 0.020 0.000 2.466 165 L HA 0.447 4.795 4.340 0.013 0.000 0.257 165 L C -1.887 174.985 176.870 0.004 0.000 1.189 165 L CA -1.322 53.563 54.840 0.075 0.000 0.813 165 L CB -0.070 42.066 42.059 0.128 0.000 1.118 165 L HN 0.307 nan 8.230 nan 0.000 0.471 166 P HA 0.145 nan 4.420 nan 0.000 0.297 166 P C -0.035 177.338 177.300 0.122 0.000 1.303 166 P CA -0.557 62.581 63.100 0.064 0.000 0.753 166 P CB 0.464 32.178 31.700 0.024 0.000 1.281 167 K N 0.021 120.495 120.400 0.125 0.000 2.152 167 K HA -0.156 4.172 4.320 0.013 0.000 0.206 167 K C 2.042 178.724 176.600 0.137 0.000 1.048 167 K CA 1.269 57.648 56.287 0.153 0.000 0.933 167 K CB -0.063 32.495 32.500 0.096 0.000 0.721 167 K HN 0.177 nan 8.250 nan 0.000 0.447 168 R N 0.276 120.834 120.500 0.096 0.000 2.105 168 R HA -0.056 4.292 4.340 0.013 0.000 0.239 168 R C 1.035 177.411 176.300 0.127 0.000 1.135 168 R CA 0.865 57.018 56.100 0.088 0.000 0.967 168 R CB -0.876 29.459 30.300 0.058 0.000 0.861 168 R HN 0.175 nan 8.270 nan 0.000 0.442 169 G N 2.570 111.458 108.800 0.147 0.000 2.432 169 G HA2 0.164 4.132 3.960 0.013 0.000 0.239 169 G HA3 0.164 4.132 3.960 0.013 0.000 0.239 169 G C -2.414 172.634 174.900 0.246 0.000 1.291 169 G CA -0.727 44.492 45.100 0.198 0.000 0.863 169 G HN 0.048 nan 8.290 nan 0.000 0.560 170 P HA 0.004 nan 4.420 nan 0.000 0.268 170 P C -0.307 177.079 177.300 0.142 0.000 1.205 170 P CA -0.004 63.154 63.100 0.096 0.000 0.771 170 P CB 0.602 32.144 31.700 -0.264 0.000 0.858 171 W N 4.852 126.115 121.300 -0.062 0.000 2.311 171 W HA 0.322 4.990 4.660 0.014 0.000 0.317 171 W C -1.152 175.324 176.519 -0.072 0.000 1.065 171 W CA -0.223 57.101 57.345 -0.035 0.000 1.364 171 W CB 0.530 29.987 29.460 -0.005 0.000 1.233 171 W HN 0.227 nan 8.180 nan 0.000 0.409 172 I N 4.522 125.055 120.570 -0.061 0.000 2.441 172 I HA 0.263 4.441 4.170 0.013 0.000 0.295 172 I C -0.446 175.642 176.117 -0.047 0.000 0.994 172 I CA -0.240 61.016 61.300 -0.073 0.000 1.144 172 I CB 1.749 39.637 38.000 -0.187 0.000 1.314 172 I HN 0.223 nan 8.210 nan 0.000 0.445 173 D N 5.123 125.525 120.400 0.003 0.000 2.547 173 D HA 0.723 5.371 4.640 0.013 0.000 0.231 173 D C -1.109 175.191 176.300 0.001 0.000 1.099 173 D CA -0.483 53.535 54.000 0.030 0.000 0.901 173 D CB 2.167 43.021 40.800 0.090 0.000 1.478 173 D HN 0.268 nan 8.370 nan 0.000 0.471 174 L N 1.624 122.859 121.223 0.020 0.000 2.404 174 L HA 0.436 4.784 4.340 0.013 0.000 0.272 174 L C -0.875 176.004 176.870 0.015 0.000 0.980 174 L CA -0.584 54.251 54.840 -0.009 0.000 0.836 174 L CB 1.576 43.620 42.059 -0.024 0.000 1.238 174 L HN 0.527 nan 8.230 nan 0.000 0.408 175 E N 3.660 123.862 120.200 0.004 0.000 2.340 175 E HA 0.663 5.021 4.350 0.013 0.000 0.273 175 E C -1.518 175.087 176.600 0.008 0.000 0.891 175 E CA -0.846 55.563 56.400 0.015 0.000 0.757 175 E CB 2.844 32.556 29.700 0.021 0.000 1.231 175 E HN 0.269 nan 8.360 nan 0.000 0.439 176 V N -0.283 119.640 119.914 0.014 0.000 2.448 176 V HA 0.607 4.735 4.120 0.013 0.000 0.295 176 V C -0.527 175.559 176.094 -0.013 0.000 1.025 176 V CA -0.685 61.622 62.300 0.011 0.000 0.859 176 V CB 1.126 32.965 31.823 0.028 0.000 0.988 176 V HN 0.797 nan 8.190 nan 0.000 0.431 177 E N 4.263 124.454 120.200 -0.015 0.000 2.281 177 E HA 0.483 4.841 4.350 0.013 0.000 0.262 177 E C -2.014 174.570 176.600 -0.027 0.000 0.933 177 E CA -1.859 54.529 56.400 -0.020 0.000 0.809 177 E CB 2.272 31.965 29.700 -0.012 0.000 1.242 177 E HN 0.469 nan 8.360 nan 0.000 0.418 178 P HA -0.140 nan 4.420 nan 0.000 0.212 178 P C 0.750 178.037 177.300 -0.021 0.000 1.180 178 P CA 1.117 64.200 63.100 -0.029 0.000 0.906 178 P CB 0.129 31.813 31.700 -0.026 0.000 0.782 179 N N -0.656 118.036 118.700 -0.013 0.000 2.139 179 N HA -0.189 4.559 4.740 0.013 0.000 0.199 179 N C 1.354 176.861 175.510 -0.005 0.000 1.003 179 N CA 2.043 55.089 53.050 -0.007 0.000 0.892 179 N CB -0.391 38.095 38.487 -0.001 0.000 1.039 179 N HN 0.324 nan 8.380 nan 0.000 0.461 180 G N -0.888 107.907 108.800 -0.007 0.000 3.331 180 G HA2 0.316 4.284 3.960 0.013 0.000 0.153 180 G HA3 0.316 4.284 3.960 0.013 0.000 0.153 180 G C -0.026 174.871 174.900 -0.005 0.000 1.216 180 G CA 0.219 45.317 45.100 -0.003 0.000 1.426 180 G HN 0.093 nan 8.290 nan 0.000 0.705 181 V N -0.129 119.786 119.914 0.002 0.000 4.813 181 V HA 0.748 4.876 4.120 0.013 0.000 0.275 181 V C 1.275 177.371 176.094 0.003 0.000 1.377 181 V CA -0.442 61.864 62.300 0.010 0.000 0.774 181 V CB -0.050 31.781 31.823 0.014 0.000 1.308 181 V HN 0.658 nan 8.190 nan 0.000 0.426 182 V N -0.135 119.775 119.914 -0.006 0.000 3.185 182 V HA 0.489 4.617 4.120 0.013 0.000 0.305 182 V C 0.382 176.434 176.094 -0.070 0.000 1.090 182 V CA 0.366 62.648 62.300 -0.032 0.000 1.107 182 V CB 0.881 32.662 31.823 -0.071 0.000 1.061 182 V HN 0.957 nan 8.190 nan 0.000 0.480 183 S N 2.797 118.454 115.700 -0.072 0.000 2.673 183 S HA 0.470 4.948 4.470 0.013 0.000 0.256 183 S C -0.868 173.689 174.600 -0.071 0.000 1.141 183 S CA -0.605 57.556 58.200 -0.066 0.000 1.109 183 S CB 0.515 63.703 63.200 -0.020 0.000 1.101 183 S HN 0.808 nan 8.310 nan 0.000 0.471 184 M N 5.425 124.952 119.600 -0.121 0.000 2.065 184 M HA 0.431 4.919 4.480 0.013 0.000 0.332 184 M C -1.389 174.944 176.300 0.055 0.000 0.988 184 M CA -0.349 54.902 55.300 -0.082 0.000 0.944 184 M CB 0.329 32.811 32.600 -0.196 0.000 1.357 184 M HN 0.497 nan 8.290 nan 0.000 0.388 185 K N 3.341 123.780 120.400 0.065 0.000 2.234 185 K HA 0.469 4.797 4.320 0.013 0.000 0.277 185 K C -0.566 176.094 176.600 0.099 0.000 1.038 185 K CA -0.475 55.873 56.287 0.101 0.000 0.888 185 K CB 1.511 34.058 32.500 0.077 0.000 1.091 185 K HN 0.560 nan 8.250 nan 0.000 0.467 186 V N 1.144 121.120 119.914 0.103 0.000 2.384 186 V HA 0.358 4.486 4.120 0.013 0.000 0.287 186 V C 0.128 176.252 176.094 0.051 0.000 1.020 186 V CA -1.035 61.302 62.300 0.061 0.000 0.850 186 V CB 1.322 33.151 31.823 0.010 0.000 0.987 186 V HN 0.942 nan 8.190 nan 0.000 0.436 187 N N 3.193 121.929 118.700 0.061 0.000 2.696 187 N HA -0.252 4.496 4.740 0.013 0.000 0.256 187 N C 0.565 176.085 175.510 0.017 0.000 1.031 187 N CA 1.392 54.461 53.050 0.031 0.000 0.730 187 N CB -0.812 37.690 38.487 0.025 0.000 0.894 187 N HN 1.296 nan 8.380 nan 0.000 0.544 188 K N -2.052 118.360 120.400 0.020 0.000 3.533 188 K HA -0.235 4.093 4.320 0.013 0.000 0.289 188 K C -0.447 176.170 176.600 0.028 0.000 1.317 188 K CA 1.664 57.960 56.287 0.016 0.000 0.967 188 K CB -0.601 31.901 32.500 0.003 0.000 1.323 188 K HN 0.651 nan 8.250 nan 0.000 0.477 189 R N 0.774 121.300 120.500 0.043 0.000 2.740 189 R HA 0.570 4.918 4.340 0.013 0.000 0.273 189 R C -1.595 174.758 176.300 0.089 0.000 0.998 189 R CA -0.723 55.410 56.100 0.055 0.000 0.900 189 R CB 1.101 31.427 30.300 0.044 0.000 1.223 189 R HN 0.110 nan 8.270 nan 0.000 0.466 190 K N 2.401 122.861 120.400 0.100 0.000 2.295 190 K HA 0.736 5.064 4.320 0.013 0.000 0.239 190 K C -1.013 175.718 176.600 0.220 0.000 0.991 190 K CA -0.708 55.662 56.287 0.137 0.000 0.845 190 K CB 1.688 34.230 32.500 0.071 0.000 1.197 190 K HN 0.466 nan 8.250 nan 0.000 0.441 191 F N -1.957 117.992 119.950 -0.003 0.000 2.713 191 F HA 0.548 5.083 4.527 0.013 0.000 0.311 191 F C -3.170 172.628 175.800 -0.003 0.000 1.141 191 F CA -2.579 55.413 58.000 -0.013 0.000 0.939 191 F CB 1.043 40.032 39.000 -0.019 0.000 1.325 191 F HN 0.282 nan 8.300 nan 0.000 0.453 192 P HA 0.102 nan 4.420 nan 0.000 0.264 192 P C 0.575 177.412 177.300 -0.771 0.000 1.193 192 P CA -0.032 62.846 63.100 -0.370 0.000 0.763 192 P CB 0.845 32.480 31.700 -0.109 0.000 0.810 193 L N 5.368 126.303 121.223 -0.479 0.000 2.201 193 L HA -0.137 4.211 4.340 0.013 0.000 0.212 193 L C 1.610 178.388 176.870 -0.154 0.000 1.105 193 L CA 1.673 56.289 54.840 -0.372 0.000 0.775 193 L CB -0.576 41.363 42.059 -0.199 0.000 0.913 193 L HN 0.159 nan 8.230 nan 0.000 0.440 194 V N -1.394 118.466 119.914 -0.089 0.000 2.323 194 V HA -0.208 3.920 4.120 0.013 0.000 0.244 194 V C 2.448 178.599 176.094 0.096 0.000 1.041 194 V CA 1.197 63.511 62.300 0.022 0.000 1.025 194 V CB -1.208 30.639 31.823 0.040 0.000 0.656 194 V HN 0.460 nan 8.190 nan 0.000 0.451 195 L N 0.211 121.498 121.223 0.107 0.000 2.113 195 L HA -0.264 4.084 4.340 0.013 0.000 0.221 195 L C 2.216 179.271 176.870 0.309 0.000 1.084 195 L CA 2.224 57.207 54.840 0.238 0.000 0.787 195 L CB -0.851 41.443 42.059 0.392 0.000 0.893 195 L HN 0.342 nan 8.230 nan 0.000 0.440 196 L N -1.878 119.589 121.223 0.407 0.000 2.068 196 L HA -0.124 4.224 4.340 0.013 0.000 0.204 196 L C 2.471 179.458 176.870 0.196 0.000 1.076 196 L CA 1.104 56.144 54.840 0.332 0.000 0.753 196 L CB -0.201 42.163 42.059 0.509 0.000 0.910 196 L HN 0.292 nan 8.230 nan 0.000 0.439 197 L N -0.458 120.890 121.223 0.208 0.000 2.021 197 L HA -0.309 4.039 4.340 0.013 0.000 0.215 197 L C 2.869 179.892 176.870 0.254 0.000 1.074 197 L CA 1.445 56.450 54.840 0.274 0.000 0.760 197 L CB -0.686 41.486 42.059 0.189 0.000 0.889 197 L HN 0.282 nan 8.230 nan 0.000 0.433 198 R N -0.514 120.096 120.500 0.183 0.000 2.096 198 R HA -0.119 4.229 4.340 0.013 0.000 0.235 198 R C 2.190 178.558 176.300 0.114 0.000 1.127 198 R CA 1.280 57.465 56.100 0.141 0.000 0.968 198 R CB -0.719 29.664 30.300 0.138 0.000 0.861 198 R HN 0.283 nan 8.270 nan 0.000 0.440 199 V N 1.867 121.860 119.914 0.131 0.000 2.332 199 V HA -0.242 3.886 4.120 0.013 0.000 0.248 199 V C 2.321 178.481 176.094 0.111 0.000 1.055 199 V CA 1.757 64.131 62.300 0.122 0.000 1.038 199 V CB -0.439 31.465 31.823 0.135 0.000 0.651 199 V HN 0.238 nan 8.190 nan 0.000 0.450 200 L N -0.374 120.910 121.223 0.103 0.000 2.270 200 L HA 0.350 4.698 4.340 0.013 0.000 0.210 200 L C 1.879 178.683 176.870 -0.109 0.000 1.104 200 L CA 1.202 56.070 54.840 0.048 0.000 0.804 200 L CB -0.448 41.637 42.059 0.043 0.000 0.937 200 L HN 0.469 nan 8.230 nan 0.000 0.450 201 G N -2.436 106.295 108.800 -0.115 0.000 2.485 201 G HA2 -0.200 3.768 3.960 0.013 0.000 0.181 201 G HA3 -0.200 3.768 3.960 0.013 0.000 0.181 201 G C -0.216 174.576 174.900 -0.180 0.000 0.999 201 G CA -0.711 44.286 45.100 -0.172 0.000 0.721 201 G HN 0.083 nan 8.290 nan 0.000 0.486 202 Y N 3.054 123.370 120.300 0.027 0.000 2.754 202 Y HA 0.358 4.916 4.550 0.013 0.000 0.349 202 Y C 0.817 176.734 175.900 0.028 0.000 1.179 202 Y CA -0.403 57.712 58.100 0.025 0.000 1.538 202 Y CB 0.324 38.800 38.460 0.026 0.000 1.200 202 Y HN 0.111 nan 8.280 nan 0.000 0.522 203 D N 2.907 123.386 120.400 0.130 0.000 2.264 203 D HA 0.008 4.656 4.640 0.013 0.000 0.249 203 D C 0.752 177.109 176.300 0.095 0.000 1.070 203 D CA -0.265 53.791 54.000 0.092 0.000 0.912 203 D CB 1.259 42.090 40.800 0.053 0.000 1.193 203 D HN 0.527 nan 8.370 nan 0.000 0.427 204 Q N 2.733 122.580 119.800 0.078 0.000 2.142 204 Q HA -0.288 4.060 4.340 0.013 0.000 0.213 204 Q C 1.682 177.714 176.000 0.054 0.000 1.004 204 Q CA 2.120 57.962 55.803 0.065 0.000 0.883 204 Q CB -0.486 28.285 28.738 0.055 0.000 0.939 204 Q HN 0.739 nan 8.270 nan 0.000 0.413 205 E N 0.101 120.331 120.200 0.049 0.000 2.000 205 E HA -0.183 4.175 4.350 0.013 0.000 0.199 205 E C 2.117 178.743 176.600 0.044 0.000 1.011 205 E CA 1.686 58.110 56.400 0.040 0.000 0.836 205 E CB -0.891 28.830 29.700 0.034 0.000 0.778 205 E HN 0.220 nan 8.360 nan 0.000 0.462 206 T N 0.464 115.052 114.554 0.056 0.000 2.624 206 T HA -0.216 4.142 4.350 0.013 0.000 0.268 206 T C 1.832 176.575 174.700 0.072 0.000 1.041 206 T CA 1.701 63.841 62.100 0.067 0.000 1.159 206 T CB -0.443 68.475 68.868 0.084 0.000 0.863 206 T HN 0.266 nan 8.240 nan 0.000 0.434 207 L N 0.387 121.665 121.223 0.091 0.000 1.944 207 L HA -0.145 4.203 4.340 0.013 0.000 0.218 207 L C 2.898 179.769 176.870 0.003 0.000 1.075 207 L CA 2.058 56.930 54.840 0.053 0.000 0.767 207 L CB -0.825 41.274 42.059 0.067 0.000 0.890 207 L HN 0.398 nan 8.230 nan 0.000 0.434 208 A N -0.310 122.519 122.820 0.015 0.000 1.884 208 A HA -0.322 4.006 4.320 0.013 0.000 0.219 208 A C 2.193 179.769 177.584 -0.013 0.000 1.197 208 A CA 2.326 54.367 52.037 0.007 0.000 0.637 208 A CB -0.750 18.263 19.000 0.021 0.000 0.827 208 A HN 0.492 nan 8.150 nan 0.000 0.450 209 R N -0.678 119.822 120.500 0.000 0.000 2.122 209 R HA -0.204 4.144 4.340 0.013 0.000 0.236 209 R C 2.238 178.527 176.300 -0.019 0.000 1.129 209 R CA 2.181 58.279 56.100 -0.002 0.000 0.925 209 R CB -0.447 29.863 30.300 0.015 0.000 0.850 209 R HN 0.677 nan 8.270 nan 0.000 0.431 210 E N -0.271 119.923 120.200 -0.010 0.000 2.208 210 E HA -0.133 4.225 4.350 0.013 0.000 0.193 210 E C 1.605 178.160 176.600 -0.076 0.000 0.988 210 E CA 0.632 57.025 56.400 -0.011 0.000 0.828 210 E CB 0.084 29.796 29.700 0.019 0.000 0.763 210 E HN 0.129 nan 8.360 nan 0.000 0.478 211 L N -0.842 120.308 121.223 -0.121 0.000 2.121 211 L HA 0.189 4.537 4.340 0.013 0.000 0.200 211 L C 1.936 178.597 176.870 -0.349 0.000 1.077 211 L CA 2.025 56.735 54.840 -0.216 0.000 0.766 211 L CB -0.737 41.204 42.059 -0.197 0.000 0.931 211 L HN 0.041 nan 8.230 nan 0.000 0.452 212 G N -1.088 107.606 108.800 -0.177 0.000 3.026 212 G HA2 0.123 4.091 3.960 0.013 0.000 0.208 212 G HA3 0.123 4.091 3.960 0.013 0.000 0.208 212 G C 1.290 176.053 174.900 -0.230 0.000 1.169 212 G CA 0.372 45.367 45.100 -0.177 0.000 0.788 212 G HN 0.618 nan 8.290 nan 0.000 0.533 213 A N 0.224 122.896 122.820 -0.246 0.000 2.292 213 A HA 0.128 4.456 4.320 0.013 0.000 0.209 213 A C 1.382 178.993 177.584 0.045 0.000 1.209 213 A CA 1.508 53.502 52.037 -0.071 0.000 0.746 213 A CB -0.558 18.447 19.000 0.010 0.000 0.764 213 A HN 1.023 nan 8.150 nan 0.000 0.492 214 Y N -6.707 113.620 120.300 0.046 0.000 2.730 214 Y HA 0.349 4.907 4.550 0.013 0.000 0.298 214 Y C 1.370 177.277 175.900 0.013 0.000 0.948 214 Y CA -0.365 57.750 58.100 0.026 0.000 1.127 214 Y CB -0.623 37.853 38.460 0.027 0.000 1.437 214 Y HN -0.041 nan 8.280 nan 0.000 0.589 215 G N 1.110 109.920 108.800 0.016 0.000 2.473 215 G HA2 0.166 4.134 3.960 0.013 0.000 0.212 215 G HA3 0.166 4.134 3.960 0.013 0.000 0.212 215 G C 0.840 175.680 174.900 -0.100 0.000 1.211 215 G CA 1.545 46.652 45.100 0.010 0.000 0.813 215 G HN 0.487 nan 8.290 nan 0.000 0.541 216 E N -1.895 118.227 120.200 -0.130 0.000 4.198 216 E HA -0.203 4.155 4.350 0.013 0.000 0.408 216 E C 1.533 178.019 176.600 -0.190 0.000 0.536 216 E CA 0.996 57.325 56.400 -0.117 0.000 1.476 216 E CB -1.878 27.772 29.700 -0.084 0.000 1.926 216 E HN 0.332 nan 8.360 nan 0.000 0.365 217 L N 0.474 121.466 121.223 -0.385 0.000 2.093 217 L HA -0.058 4.290 4.340 0.013 0.000 0.208 217 L C 2.312 179.010 176.870 -0.287 0.000 1.085 217 L CA 1.296 55.812 54.840 -0.540 0.000 0.755 217 L CB -0.652 40.633 42.059 -1.289 0.000 0.904 217 L HN 0.180 nan 8.230 nan 0.000 0.435 218 V N 0.249 120.097 119.914 -0.109 0.000 2.402 218 V HA -0.435 3.693 4.120 0.013 0.000 0.264 218 V C 2.497 178.635 176.094 0.074 0.000 1.112 218 V CA 2.070 64.478 62.300 0.179 0.000 1.110 218 V CB -0.571 31.320 31.823 0.114 0.000 0.689 218 V HN 0.572 nan 8.190 nan 0.000 0.459 219 Q N -0.793 119.006 119.800 -0.002 0.000 2.376 219 Q HA -0.164 4.184 4.340 0.013 0.000 0.211 219 Q C 2.230 178.239 176.000 0.015 0.000 0.986 219 Q CA 1.318 57.121 55.803 0.000 0.000 0.886 219 Q CB -0.463 28.260 28.738 -0.025 0.000 0.927 219 Q HN 0.792 nan 8.270 nan 0.000 0.457 220 G N 0.857 109.672 108.800 0.025 0.000 2.402 220 G HA2 -0.208 3.760 3.960 0.013 0.000 0.216 220 G HA3 -0.208 3.760 3.960 0.013 0.000 0.216 220 G C 1.379 176.326 174.900 0.078 0.000 1.162 220 G CA 1.092 46.224 45.100 0.054 0.000 0.777 220 G HN 0.394 nan 8.290 nan 0.000 0.539 221 L N -2.001 119.286 121.223 0.108 0.000 2.168 221 L HA 0.432 4.780 4.340 0.013 0.000 0.203 221 L C 2.474 179.382 176.870 0.064 0.000 1.078 221 L CA 1.157 56.043 54.840 0.076 0.000 0.780 221 L CB -0.489 41.608 42.059 0.064 0.000 0.939 221 L HN 0.052 nan 8.230 nan 0.000 0.451 222 M N 1.091 120.728 119.600 0.062 0.000 2.659 222 M HA -0.059 4.429 4.480 0.013 0.000 0.243 222 M C 1.310 177.644 176.300 0.056 0.000 1.111 222 M CA 0.653 55.986 55.300 0.056 0.000 1.070 222 M CB -0.448 32.179 32.600 0.045 0.000 1.525 222 M HN 0.560 nan 8.290 nan 0.000 0.517 223 D N -0.409 120.027 120.400 0.060 0.000 2.149 223 D HA -0.156 4.492 4.640 0.013 0.000 0.198 223 D C 0.425 176.774 176.300 0.081 0.000 0.990 223 D CA 0.989 55.026 54.000 0.062 0.000 0.839 223 D CB -0.518 40.318 40.800 0.060 0.000 0.948 223 D HN 0.077 nan 8.370 nan 0.000 0.460 224 E N -0.080 120.183 120.200 0.104 0.000 2.493 224 E HA 0.122 4.480 4.350 0.013 0.000 0.255 224 E C 0.178 176.833 176.600 0.091 0.000 0.999 224 E CA 0.076 56.562 56.400 0.143 0.000 0.934 224 E CB 1.081 30.892 29.700 0.185 0.000 0.940 224 E HN 0.112 nan 8.360 nan 0.000 0.473 225 S N 1.584 117.322 115.700 0.064 0.000 2.604 225 S HA 0.047 4.525 4.470 0.013 0.000 0.235 225 S C 1.167 175.754 174.600 -0.022 0.000 1.043 225 S CA 0.002 58.216 58.200 0.022 0.000 0.997 225 S CB 0.835 64.043 63.200 0.014 0.000 0.956 225 S HN 0.370 nan 8.310 nan 0.000 0.535 226 V N -0.079 119.802 119.914 -0.056 0.000 2.854 226 V HA 0.316 4.444 4.120 0.013 0.000 0.236 226 V C 0.842 176.763 176.094 -0.289 0.000 1.157 226 V CA 0.754 62.908 62.300 -0.243 0.000 1.187 226 V CB -0.093 31.456 31.823 -0.456 0.000 0.949 226 V HN 0.469 nan 8.190 nan 0.000 0.488 227 F N 0.952 120.928 119.950 0.044 0.000 2.698 227 F HA 0.442 4.977 4.527 0.013 0.000 0.295 227 F C 2.222 178.055 175.800 0.055 0.000 1.124 227 F CA 0.853 58.885 58.000 0.053 0.000 1.426 227 F CB -0.285 38.755 39.000 0.065 0.000 1.120 227 F HN 0.252 nan 8.300 nan 0.000 0.583 228 A N -0.560 122.381 122.820 0.202 0.000 2.235 228 A HA 0.047 4.375 4.320 0.013 0.000 0.208 228 A C 1.910 179.548 177.584 0.090 0.000 1.172 228 A CA 0.700 52.821 52.037 0.140 0.000 0.786 228 A CB -0.396 18.675 19.000 0.118 0.000 0.804 228 A HN 0.246 nan 8.150 nan 0.000 0.479 229 M N -0.031 119.609 119.600 0.065 0.000 2.333 229 M HA 0.164 4.652 4.480 0.013 0.000 0.257 229 M C -0.206 176.118 176.300 0.040 0.000 1.078 229 M CA 0.434 55.758 55.300 0.039 0.000 1.005 229 M CB 0.036 32.644 32.600 0.014 0.000 1.444 229 M HN 0.225 nan 8.290 nan 0.000 0.496 230 R N 0.010 120.547 120.500 0.062 0.000 2.437 230 R HA 0.396 4.744 4.340 0.013 0.000 0.310 230 R C -2.385 173.960 176.300 0.075 0.000 0.955 230 R CA -1.361 54.776 56.100 0.062 0.000 0.851 230 R CB 1.127 31.471 30.300 0.074 0.000 1.161 230 R HN -0.088 nan 8.270 nan 0.000 0.446 231 P HA 0.074 nan 4.420 nan 0.000 0.206 231 P C 0.992 178.322 177.300 0.050 0.000 1.136 231 P CA 0.247 63.378 63.100 0.051 0.000 0.905 231 P CB 0.398 32.112 31.700 0.024 0.000 0.754 232 E N 0.102 120.320 120.200 0.030 0.000 2.106 232 E HA -0.210 4.148 4.350 0.013 0.000 0.192 232 E C 1.982 178.620 176.600 0.063 0.000 0.984 232 E CA 0.778 57.194 56.400 0.026 0.000 0.806 232 E CB -0.186 29.514 29.700 -0.000 0.000 0.750 232 E HN 0.029 nan 8.360 nan 0.000 0.458 233 E N 0.066 120.306 120.200 0.067 0.000 2.273 233 E HA -0.195 4.163 4.350 0.013 0.000 0.198 233 E C 1.620 178.291 176.600 0.117 0.000 1.002 233 E CA 0.945 57.397 56.400 0.086 0.000 0.828 233 E CB -0.032 29.715 29.700 0.079 0.000 0.747 233 E HN 0.337 nan 8.360 nan 0.000 0.491 234 A N 0.433 123.324 122.820 0.119 0.000 2.168 234 A HA -0.032 4.296 4.320 0.013 0.000 0.215 234 A C 2.161 179.811 177.584 0.109 0.000 1.152 234 A CA 0.290 52.405 52.037 0.130 0.000 0.716 234 A CB -0.274 18.807 19.000 0.136 0.000 0.794 234 A HN 0.284 nan 8.150 nan 0.000 0.465 235 L N -1.041 120.255 121.223 0.122 0.000 2.131 235 L HA -0.057 4.291 4.340 0.013 0.000 0.206 235 L C 2.027 179.033 176.870 0.226 0.000 1.087 235 L CA 0.929 55.855 54.840 0.144 0.000 0.767 235 L CB -0.120 42.052 42.059 0.188 0.000 0.917 235 L HN 0.329 nan 8.230 nan 0.000 0.441 236 I N -0.501 120.210 120.570 0.235 0.000 2.500 236 I HA -0.186 3.992 4.170 0.013 0.000 0.252 236 I C 2.546 178.785 176.117 0.204 0.000 1.142 236 I CA 1.003 62.461 61.300 0.264 0.000 1.451 236 I CB -0.412 37.677 38.000 0.149 0.000 1.093 236 I HN 0.084 nan 8.210 nan 0.000 0.430 237 R N 0.331 120.916 120.500 0.142 0.000 2.081 237 R HA -0.095 4.253 4.340 0.013 0.000 0.235 237 R C 2.277 178.601 176.300 0.041 0.000 1.131 237 R CA 1.337 57.499 56.100 0.103 0.000 0.960 237 R CB -0.392 29.977 30.300 0.115 0.000 0.856 237 R HN 0.263 nan 8.270 nan 0.000 0.436 238 L N -0.712 120.508 121.223 -0.006 0.000 2.083 238 L HA -0.152 4.196 4.340 0.013 0.000 0.209 238 L C 1.762 178.534 176.870 -0.164 0.000 1.083 238 L CA 1.092 55.834 54.840 -0.163 0.000 0.752 238 L CB -0.209 41.690 42.059 -0.266 0.000 0.899 238 L HN 0.199 nan 8.230 nan 0.000 0.433 239 F N -0.129 119.790 119.950 -0.051 0.000 2.171 239 F HA -0.231 4.304 4.527 0.013 0.000 0.300 239 F C 2.570 178.351 175.800 -0.032 0.000 1.090 239 F CA 1.765 59.744 58.000 -0.036 0.000 1.293 239 F CB -0.912 38.086 39.000 -0.005 0.000 1.013 239 F HN 0.042 nan 8.300 nan 0.000 0.486 240 T N 0.204 114.859 114.554 0.169 0.000 2.788 240 T HA -0.212 4.146 4.350 0.013 0.000 0.268 240 T C 2.148 176.876 174.700 0.047 0.000 1.044 240 T CA 1.010 63.167 62.100 0.095 0.000 1.139 240 T CB -0.613 68.300 68.868 0.076 0.000 0.867 240 T HN 0.194 nan 8.240 nan 0.000 0.454 241 L N 0.557 121.780 121.223 0.000 0.000 2.549 241 L HA 0.094 4.442 4.340 0.013 0.000 0.230 241 L C 0.512 177.358 176.870 -0.041 0.000 1.162 241 L CA 0.250 55.066 54.840 -0.040 0.000 0.834 241 L CB -0.322 41.663 42.059 -0.122 0.000 0.947 241 L HN 0.255 nan 8.230 nan 0.000 0.452 242 L N -0.173 121.045 121.223 -0.009 0.000 2.456 242 L HA -0.017 4.331 4.340 0.013 0.000 0.272 242 L C 1.640 178.526 176.870 0.026 0.000 1.189 242 L CA 0.005 54.853 54.840 0.014 0.000 0.846 242 L CB 0.561 42.673 42.059 0.088 0.000 1.111 242 L HN 0.203 nan 8.230 nan 0.000 0.475 243 R N 1.739 122.251 120.500 0.021 0.000 2.081 243 R HA -0.017 4.331 4.340 0.013 0.000 0.235 243 R C -1.298 175.019 176.300 0.027 0.000 1.131 243 R CA 0.743 56.856 56.100 0.022 0.000 0.960 243 R CB -1.204 29.108 30.300 0.019 0.000 0.856 243 R HN 0.547 nan 8.270 nan 0.000 0.436 244 P HA 0.084 nan 4.420 nan 0.000 0.275 244 P C -0.534 176.785 177.300 0.032 0.000 1.228 244 P CA 0.166 63.284 63.100 0.031 0.000 0.786 244 P CB 0.867 32.588 31.700 0.034 0.000 0.927 245 G N 2.012 110.825 108.800 0.023 0.000 2.351 245 G HA2 0.370 4.338 3.960 0.013 0.000 0.287 245 G HA3 0.370 4.338 3.960 0.013 0.000 0.287 245 G C -0.777 174.129 174.900 0.011 0.000 1.159 245 G CA -0.233 44.878 45.100 0.019 0.000 0.929 245 G HN 0.387 nan 8.290 nan 0.000 0.435 246 D N 1.847 122.250 120.400 0.005 0.000 2.570 246 D HA 0.318 4.966 4.640 0.013 0.000 0.244 246 D C -2.541 173.735 176.300 -0.039 0.000 1.178 246 D CA -0.998 52.992 54.000 -0.017 0.000 0.881 246 D CB 2.009 42.797 40.800 -0.019 0.000 1.453 246 D HN 0.098 nan 8.370 nan 0.000 0.447 247 P HA 0.104 nan 4.420 nan 0.000 0.261 247 P C -1.805 175.428 177.300 -0.112 0.000 1.183 247 P CA -0.601 62.455 63.100 -0.074 0.000 0.761 247 P CB 0.162 31.814 31.700 -0.080 0.000 0.785 248 P HA -0.045 nan 4.420 nan 0.000 0.242 248 P C 0.172 177.403 177.300 -0.116 0.000 1.197 248 P CA 0.527 63.577 63.100 -0.083 0.000 0.765 248 P CB 0.479 32.167 31.700 -0.020 0.000 0.936 249 K N 2.344 122.670 120.400 -0.123 0.000 2.382 249 K HA 0.034 4.362 4.320 0.013 0.000 0.286 249 K C 0.426 176.917 176.600 -0.183 0.000 1.062 249 K CA -0.365 55.851 56.287 -0.117 0.000 1.000 249 K CB 0.205 32.648 32.500 -0.095 0.000 0.954 249 K HN 0.058 nan 8.250 nan 0.000 0.470 250 R N 3.696 124.106 120.500 -0.150 0.000 4.359 250 R HA -0.177 4.171 4.340 0.013 0.000 0.127 250 R C -0.366 175.787 176.300 -0.244 0.000 0.255 250 R CA 0.685 56.688 56.100 -0.162 0.000 0.809 250 R CB -1.151 29.115 30.300 -0.058 0.000 1.165 250 R HN 0.564 nan 8.270 nan 0.000 0.350 251 D N 2.307 122.417 120.400 -0.484 0.000 2.590 251 D HA 0.101 4.749 4.640 0.013 0.000 0.280 251 D C 0.532 176.614 176.300 -0.364 0.000 1.197 251 D CA -0.793 52.973 54.000 -0.391 0.000 0.967 251 D CB 0.872 41.462 40.800 -0.349 0.000 0.987 251 D HN -0.107 nan 8.370 nan 0.000 0.508 252 K N 1.339 121.705 120.400 -0.058 0.000 2.206 252 K HA -0.314 4.014 4.320 0.013 0.000 0.211 252 K C 1.877 178.753 176.600 0.461 0.000 1.047 252 K CA 1.545 58.047 56.287 0.359 0.000 0.933 252 K CB -1.177 31.394 32.500 0.119 0.000 0.721 252 K HN 0.565 nan 8.250 nan 0.000 0.471 253 A N 0.723 123.647 122.820 0.173 0.000 2.557 253 A HA -0.375 3.953 4.320 0.013 0.000 0.260 253 A C 2.219 180.006 177.584 0.337 0.000 2.292 253 A CA 3.607 55.784 52.037 0.234 0.000 1.035 253 A CB -1.511 17.557 19.000 0.112 0.000 0.477 253 A HN 0.094 nan 8.150 nan 0.000 0.426 254 V N -0.554 119.565 119.914 0.341 0.000 2.660 254 V HA -0.149 3.979 4.120 0.013 0.000 0.257 254 V C 2.796 179.007 176.094 0.195 0.000 1.088 254 V CA 2.603 65.053 62.300 0.251 0.000 1.106 254 V CB -1.372 30.581 31.823 0.217 0.000 0.686 254 V HN 0.948 nan 8.190 nan 0.000 0.481 255 A N -1.705 121.254 122.820 0.232 0.000 2.030 255 A HA -0.063 4.265 4.320 0.013 0.000 0.215 255 A C 2.066 179.766 177.584 0.193 0.000 1.164 255 A CA 0.614 52.690 52.037 0.065 0.000 0.697 255 A CB -0.500 18.429 19.000 -0.118 0.000 0.827 255 A HN 0.501 nan 8.150 nan 0.000 0.457 256 Y N 0.968 121.352 120.300 0.141 0.000 2.293 256 Y HA -0.143 4.415 4.550 0.013 0.000 0.291 256 Y C 2.333 178.299 175.900 0.110 0.000 1.137 256 Y CA 1.262 59.436 58.100 0.124 0.000 1.202 256 Y CB -0.331 38.199 38.460 0.116 0.000 0.990 256 Y HN 0.098 nan 8.280 nan 0.000 0.537 257 V N -1.049 118.991 119.914 0.210 0.000 2.287 257 V HA -0.313 3.815 4.120 0.013 0.000 0.248 257 V C 1.364 177.532 176.094 0.125 0.000 1.053 257 V CA 1.954 64.332 62.300 0.131 0.000 1.027 257 V CB -1.009 30.911 31.823 0.162 0.000 0.646 257 V HN 0.362 nan 8.190 nan 0.000 0.447 258 Y N 1.413 121.722 120.300 0.016 0.000 2.881 258 Y HA 0.469 5.027 4.550 0.013 0.000 0.369 258 Y C 1.297 177.169 175.900 -0.047 0.000 1.066 258 Y CA -0.371 57.728 58.100 -0.002 0.000 1.616 258 Y CB -0.234 38.242 38.460 0.026 0.000 1.436 258 Y HN 0.114 nan 8.280 nan 0.000 0.505 259 G N -0.336 108.354 108.800 -0.183 0.000 2.571 259 G HA2 0.013 3.981 3.960 0.013 0.000 0.225 259 G HA3 0.013 3.981 3.960 0.013 0.000 0.225 259 G C 0.757 175.451 174.900 -0.344 0.000 1.731 259 G CA 0.550 45.513 45.100 -0.229 0.000 0.858 259 G HN 0.422 nan 8.290 nan 0.000 0.611 260 L N -0.540 120.528 121.223 -0.258 0.000 2.885 260 L HA 0.264 4.612 4.340 0.013 0.000 0.251 260 L C 2.170 178.951 176.870 -0.149 0.000 1.071 260 L CA 0.188 54.847 54.840 -0.302 0.000 0.956 260 L CB 0.094 41.778 42.059 -0.625 0.000 1.483 260 L HN 0.295 nan 8.230 nan 0.000 0.525 261 I N 0.783 121.312 120.570 -0.068 0.000 2.146 261 I HA 0.168 4.346 4.170 0.013 0.000 0.231 261 I C 2.452 178.521 176.117 -0.080 0.000 1.063 261 I CA 1.678 62.942 61.300 -0.059 0.000 1.340 261 I CB -1.702 36.258 38.000 -0.066 0.000 1.100 261 I HN 0.097 nan 8.210 nan 0.000 0.403 262 A N 0.641 123.418 122.820 -0.072 0.000 1.858 262 A HA -0.047 4.281 4.320 0.013 0.000 0.215 262 A C 1.891 179.445 177.584 -0.050 0.000 1.320 262 A CA 1.495 53.504 52.037 -0.048 0.000 0.601 262 A CB -1.303 17.688 19.000 -0.015 0.000 0.976 262 A HN 0.507 nan 8.150 nan 0.000 0.470 263 D N 0.586 120.983 120.400 -0.005 0.000 2.321 263 D HA -0.110 4.538 4.640 0.013 0.000 0.194 263 D C -0.953 175.346 176.300 -0.001 0.000 1.013 263 D CA 1.810 55.846 54.000 0.060 0.000 0.863 263 D CB -2.037 38.899 40.800 0.226 0.000 1.011 263 D HN 0.283 nan 8.370 nan 0.000 0.457 264 P HA 0.050 nan 4.420 nan 0.000 0.313 264 P C -0.134 177.009 177.300 -0.262 0.000 1.332 264 P CA 0.163 63.156 63.100 -0.178 0.000 0.777 264 P CB 0.374 31.874 31.700 -0.334 0.000 1.599 265 R N -0.033 120.190 120.500 -0.462 0.000 2.750 265 R HA 0.340 4.688 4.340 0.013 0.000 0.281 265 R C 0.485 176.299 176.300 -0.810 0.000 0.972 265 R CA -0.656 54.930 56.100 -0.857 0.000 0.912 265 R CB 0.980 30.341 30.300 -1.564 0.000 1.187 265 R HN 0.086 nan 8.270 nan 0.000 0.464 266 R N 3.586 123.791 120.500 -0.492 0.000 2.391 266 R HA 0.065 4.413 4.340 0.013 0.000 0.249 266 R C -0.706 175.547 176.300 -0.078 0.000 0.957 266 R CA -0.108 55.872 56.100 -0.200 0.000 1.093 266 R CB -0.427 29.803 30.300 -0.115 0.000 1.156 266 R HN 0.583 nan 8.270 nan 0.000 0.526 267 Y N -0.712 119.576 120.300 -0.019 0.000 2.683 267 Y HA 0.057 4.615 4.550 0.013 0.000 0.340 267 Y C 0.533 176.421 175.900 -0.018 0.000 1.245 267 Y CA -1.033 57.057 58.100 -0.017 0.000 1.485 267 Y CB 0.226 38.681 38.460 -0.008 0.000 1.328 267 Y HN -0.082 nan 8.280 nan 0.000 0.603 268 D N 2.925 123.439 120.400 0.191 0.000 2.752 268 D HA -0.134 4.514 4.640 0.013 0.000 0.225 268 D C -0.291 176.058 176.300 0.080 0.000 1.104 268 D CA 0.450 54.507 54.000 0.095 0.000 0.832 268 D CB 0.575 41.397 40.800 0.037 0.000 1.161 268 D HN 0.635 nan 8.370 nan 0.000 0.505 269 L N 3.797 125.061 121.223 0.067 0.000 2.500 269 L HA 0.253 4.601 4.340 0.013 0.000 0.272 269 L C 1.381 178.254 176.870 0.005 0.000 1.149 269 L CA 0.761 55.625 54.840 0.040 0.000 0.897 269 L CB -0.025 42.056 42.059 0.037 0.000 1.178 269 L HN 0.793 nan 8.230 nan 0.000 0.473 270 G N 3.629 112.415 108.800 -0.023 0.000 3.131 270 G HA2 -0.207 3.761 3.960 0.013 0.000 0.198 270 G HA3 -0.207 3.761 3.960 0.013 0.000 0.198 270 G C 0.741 175.628 174.900 -0.023 0.000 1.435 270 G CA 0.225 45.314 45.100 -0.019 0.000 1.016 270 G HN 0.604 nan 8.290 nan 0.000 0.499 271 E N 0.613 120.796 120.200 -0.029 0.000 2.453 271 E HA 0.485 4.843 4.350 0.013 0.000 0.211 271 E C 2.530 179.102 176.600 -0.046 0.000 0.897 271 E CA 0.505 56.902 56.400 -0.004 0.000 1.063 271 E CB 0.652 30.352 29.700 -0.001 0.000 1.080 271 E HN 0.527 nan 8.360 nan 0.000 0.512 272 A N 1.490 124.226 122.820 -0.140 0.000 1.837 272 A HA -0.148 4.180 4.320 0.013 0.000 0.216 272 A C 2.235 179.571 177.584 -0.413 0.000 1.210 272 A CA 2.274 54.172 52.037 -0.231 0.000 0.632 272 A CB -1.152 17.738 19.000 -0.182 0.000 0.843 272 A HN 0.334 nan 8.150 nan 0.000 0.448 273 G N -2.232 105.962 108.800 -1.010 0.000 2.673 273 G HA2 0.035 4.003 3.960 0.013 0.000 0.208 273 G HA3 0.035 4.003 3.960 0.013 0.000 0.208 273 G C 1.583 176.276 174.900 -0.345 0.000 1.128 273 G CA 0.719 45.353 45.100 -0.776 0.000 0.805 273 G HN 0.490 nan 8.290 nan 0.000 0.526 274 R N -0.446 119.864 120.500 -0.316 0.000 2.133 274 R HA -0.223 4.125 4.340 0.013 0.000 0.247 274 R C 2.128 178.383 176.300 -0.076 0.000 1.151 274 R CA 1.801 57.808 56.100 -0.155 0.000 0.971 274 R CB -0.495 29.740 30.300 -0.108 0.000 0.866 274 R HN 0.467 nan 8.270 nan 0.000 0.447 275 Y N 1.435 121.664 120.300 -0.118 0.000 2.128 275 Y HA -0.256 4.302 4.550 0.013 0.000 0.284 275 Y C 1.562 177.404 175.900 -0.097 0.000 1.154 275 Y CA 2.131 60.196 58.100 -0.059 0.000 1.149 275 Y CB -0.135 38.353 38.460 0.047 0.000 0.976 275 Y HN -0.054 nan 8.280 nan 0.000 0.505 276 K N 0.846 121.115 120.400 -0.218 0.000 2.280 276 K HA -0.014 4.314 4.320 0.013 0.000 0.202 276 K C 2.000 178.363 176.600 -0.395 0.000 1.047 276 K CA 0.928 56.980 56.287 -0.391 0.000 0.942 276 K CB -0.444 31.922 32.500 -0.224 0.000 0.739 276 K HN 0.454 nan 8.250 nan 0.000 0.457 277 A N 1.348 123.991 122.820 -0.296 0.000 2.260 277 A HA -0.121 4.207 4.320 0.013 0.000 0.208 277 A C 1.978 179.403 177.584 -0.265 0.000 1.588 277 A CA 1.089 52.968 52.037 -0.263 0.000 0.600 277 A CB -1.036 17.854 19.000 -0.184 0.000 1.142 277 A HN 0.262 nan 8.150 nan 0.000 0.494 278 E N -0.164 119.920 120.200 -0.193 0.000 2.485 278 E HA -0.382 3.976 4.350 0.013 0.000 0.251 278 E C 1.742 178.225 176.600 -0.196 0.000 1.042 278 E CA 2.935 59.240 56.400 -0.159 0.000 1.158 278 E CB -0.587 29.050 29.700 -0.104 0.000 1.065 278 E HN 0.604 nan 8.360 nan 0.000 0.502 279 E N 0.247 120.298 120.200 -0.247 0.000 1.996 279 E HA -0.177 4.181 4.350 0.013 0.000 0.197 279 E C 2.057 178.502 176.600 -0.259 0.000 1.002 279 E CA 2.222 58.474 56.400 -0.246 0.000 0.840 279 E CB -0.492 29.008 29.700 -0.332 0.000 0.786 279 E HN 0.351 nan 8.360 nan 0.000 0.469 280 K N -0.347 119.850 120.400 -0.338 0.000 2.049 280 K HA -0.113 4.215 4.320 0.013 0.000 0.219 280 K C 0.620 176.995 176.600 -0.375 0.000 1.056 280 K CA 2.099 58.207 56.287 -0.299 0.000 0.946 280 K CB -0.567 31.713 32.500 -0.366 0.000 0.723 280 K HN 0.417 nan 8.250 nan 0.000 0.453 281 L N -5.799 115.126 121.223 -0.497 0.000 2.518 281 L HA 0.642 4.990 4.340 0.013 0.000 0.257 281 L C 0.097 176.687 176.870 -0.468 0.000 0.980 281 L CA -0.773 53.612 54.840 -0.758 0.000 0.837 281 L CB 1.942 43.488 42.059 -0.854 0.000 1.410 281 L HN 0.318 nan 8.230 nan 0.000 0.410 282 G N 1.143 109.692 108.800 -0.420 0.000 2.575 282 G HA2 -0.181 3.787 3.960 0.013 0.000 0.267 282 G HA3 -0.181 3.787 3.960 0.013 0.000 0.267 282 G C 0.114 174.912 174.900 -0.170 0.000 1.264 282 G CA 0.585 45.556 45.100 -0.215 0.000 0.935 282 G HN 1.187 nan 8.290 nan 0.000 0.568 283 I N -2.324 118.178 120.570 -0.114 0.000 3.231 283 I HA 0.337 4.515 4.170 0.013 0.000 0.271 283 I C 1.030 177.104 176.117 -0.071 0.000 1.035 283 I CA 0.102 61.348 61.300 -0.090 0.000 1.757 283 I CB -0.524 37.442 38.000 -0.056 0.000 1.803 283 I HN 0.634 nan 8.210 nan 0.000 0.392 284 R N 2.028 122.501 120.500 -0.045 0.000 2.500 284 R HA 0.659 5.007 4.340 0.013 0.000 0.277 284 R C -1.056 175.224 176.300 -0.033 0.000 1.026 284 R CA -0.438 55.643 56.100 -0.033 0.000 1.058 284 R CB 2.135 32.426 30.300 -0.015 0.000 1.078 284 R HN 0.344 nan 8.270 nan 0.000 0.509 285 L N 1.340 122.545 121.223 -0.031 0.000 2.334 285 L HA 0.485 4.833 4.340 0.013 0.000 0.273 285 L C -1.017 175.843 176.870 -0.016 0.000 1.013 285 L CA -0.198 54.624 54.840 -0.028 0.000 0.816 285 L CB 2.143 44.177 42.059 -0.042 0.000 1.278 285 L HN 0.552 nan 8.230 nan 0.000 0.431 286 S N 3.093 118.785 115.700 -0.013 0.000 2.478 286 S HA 0.804 5.282 4.470 0.013 0.000 0.312 286 S C 0.221 174.807 174.600 -0.023 0.000 1.094 286 S CA 0.363 58.555 58.200 -0.013 0.000 1.081 286 S CB 0.714 63.907 63.200 -0.011 0.000 1.007 286 S HN 1.527 nan 8.310 nan 0.000 0.475 287 G N 5.235 114.025 108.800 -0.018 0.000 2.514 287 G HA2 -0.253 3.715 3.960 0.013 0.000 0.265 287 G HA3 -0.253 3.715 3.960 0.013 0.000 0.265 287 G C 0.493 175.394 174.900 0.002 0.000 1.150 287 G CA 0.437 45.524 45.100 -0.022 0.000 0.959 287 G HN 0.705 nan 8.290 nan 0.000 0.556 288 R N 0.125 120.629 120.500 0.007 0.000 2.225 288 R HA 0.332 4.680 4.340 0.013 0.000 0.194 288 R C 1.159 177.551 176.300 0.153 0.000 0.949 288 R CA 1.484 57.640 56.100 0.094 0.000 1.088 288 R CB 0.651 31.007 30.300 0.092 0.000 1.106 288 R HN 0.859 nan 8.270 nan 0.000 0.566 289 T N -1.523 113.049 114.554 0.031 0.000 2.647 289 T HA 0.240 4.598 4.350 0.013 0.000 0.295 289 T C 0.048 174.711 174.700 -0.062 0.000 1.126 289 T CA -0.875 61.233 62.100 0.013 0.000 1.040 289 T CB 0.628 69.462 68.868 -0.058 0.000 1.472 289 T HN 0.115 nan 8.240 nan 0.000 0.500 290 L N 0.046 121.231 121.223 -0.064 0.000 3.240 290 L HA 0.631 4.979 4.340 0.013 0.000 0.241 290 L C 0.275 177.046 176.870 -0.165 0.000 1.473 290 L CA -0.385 54.434 54.840 -0.036 0.000 1.114 290 L CB -1.549 40.577 42.059 0.112 0.000 1.479 290 L HN 0.735 nan 8.230 nan 0.000 0.451 291 A N 2.656 125.355 122.820 -0.201 0.000 2.291 291 A HA 0.834 5.162 4.320 0.013 0.000 0.311 291 A C 0.072 177.437 177.584 -0.365 0.000 1.224 291 A CA -0.709 51.122 52.037 -0.344 0.000 0.821 291 A CB 0.819 19.595 19.000 -0.373 0.000 1.172 291 A HN 0.607 nan 8.150 nan 0.000 0.494 292 R N 2.520 122.773 120.500 -0.411 0.000 3.146 292 R HA 0.234 4.582 4.340 0.013 0.000 0.235 292 R C -1.514 174.789 176.300 0.005 0.000 1.624 292 R CA -0.238 55.712 56.100 -0.250 0.000 0.995 292 R CB -0.302 29.960 30.300 -0.063 0.000 1.490 292 R HN 0.756 nan 8.270 nan 0.000 0.434 293 F N 0.746 120.812 119.950 0.193 0.000 2.925 293 F HA 0.464 4.999 4.527 0.013 0.000 0.302 293 F C -0.035 175.950 175.800 0.308 0.000 1.189 293 F CA -1.165 57.086 58.000 0.419 0.000 1.346 293 F CB 0.018 39.214 39.000 0.326 0.000 0.954 293 F HN 0.265 nan 8.300 nan 0.000 0.506 294 E N 1.218 121.709 120.200 0.485 0.000 2.166 294 E HA 0.259 4.617 4.350 0.013 0.000 0.275 294 E C -0.641 176.050 176.600 0.152 0.000 0.941 294 E CA -0.130 56.453 56.400 0.305 0.000 0.784 294 E CB 0.897 30.735 29.700 0.230 0.000 1.115 294 E HN 0.256 nan 8.360 nan 0.000 0.399 295 D N 2.944 123.401 120.400 0.094 0.000 3.108 295 D HA -0.136 4.512 4.640 0.013 0.000 0.214 295 D C 0.764 177.042 176.300 -0.037 0.000 1.098 295 D CA 1.497 55.511 54.000 0.024 0.000 0.901 295 D CB -1.361 39.448 40.800 0.015 0.000 1.091 295 D HN 0.894 nan 8.370 nan 0.000 0.435 296 G N -0.046 108.721 108.800 -0.055 0.000 2.674 296 G HA2 -0.398 3.570 3.960 0.013 0.000 0.236 296 G HA3 -0.398 3.570 3.960 0.013 0.000 0.236 296 G C 0.285 174.974 174.900 -0.352 0.000 1.178 296 G CA 1.204 46.213 45.100 -0.151 0.000 0.721 296 G HN 0.734 nan 8.290 nan 0.000 0.515 297 E N 0.882 120.914 120.200 -0.280 0.000 2.280 297 E HA 0.656 5.014 4.350 0.013 0.000 0.261 297 E C -0.883 175.529 176.600 -0.313 0.000 1.088 297 E CA -0.784 55.403 56.400 -0.355 0.000 0.915 297 E CB 0.892 30.493 29.700 -0.164 0.000 1.141 297 E HN 0.383 nan 8.360 nan 0.000 0.433 298 F N -0.014 119.930 119.950 -0.010 0.000 2.546 298 F HA 0.397 4.932 4.527 0.013 0.000 0.320 298 F C 0.476 176.234 175.800 -0.070 0.000 1.076 298 F CA -1.204 56.785 58.000 -0.019 0.000 0.928 298 F CB 2.219 41.207 39.000 -0.020 0.000 1.189 298 F HN 0.293 nan 8.300 nan 0.000 0.465 299 K N 2.721 123.209 120.400 0.147 0.000 2.323 299 K HA 0.263 4.591 4.320 0.013 0.000 0.259 299 K C -1.679 174.941 176.600 0.034 0.000 0.947 299 K CA -0.616 55.696 56.287 0.043 0.000 0.819 299 K CB 1.231 33.744 32.500 0.023 0.000 1.109 299 K HN 0.788 nan 8.250 nan 0.000 0.429 300 D N 4.637 125.080 120.400 0.072 0.000 2.400 300 D HA 0.076 4.724 4.640 0.013 0.000 0.272 300 D C -0.216 176.213 176.300 0.215 0.000 1.220 300 D CA -0.444 53.619 54.000 0.105 0.000 0.897 300 D CB 1.072 41.866 40.800 -0.010 0.000 1.134 300 D HN 0.595 nan 8.370 nan 0.000 0.507 301 E N 0.318 120.605 120.200 0.145 0.000 2.526 301 E HA -0.050 4.308 4.350 0.013 0.000 0.198 301 E C 1.356 178.023 176.600 0.112 0.000 1.091 301 E CA 0.149 56.629 56.400 0.133 0.000 0.880 301 E CB 0.913 30.655 29.700 0.069 0.000 0.873 301 E HN 0.330 nan 8.360 nan 0.000 0.527 302 V N -0.616 119.396 119.914 0.163 0.000 2.788 302 V HA -0.084 4.044 4.120 0.013 0.000 0.241 302 V C 1.555 177.735 176.094 0.144 0.000 1.083 302 V CA 0.564 62.938 62.300 0.122 0.000 1.103 302 V CB -0.147 31.748 31.823 0.121 0.000 0.800 302 V HN 0.041 nan 8.190 nan 0.000 0.476 303 F N 1.631 121.586 119.950 0.007 0.000 2.011 303 F HA -0.229 4.307 4.527 0.013 0.000 0.296 303 F C 2.398 178.124 175.800 -0.123 0.000 1.144 303 F CA 2.856 60.841 58.000 -0.024 0.000 1.185 303 F CB -1.111 37.903 39.000 0.024 0.000 0.961 303 F HN 0.274 nan 8.300 nan 0.000 0.485 304 L N -1.396 119.802 121.223 -0.042 0.000 2.043 304 L HA -0.140 4.208 4.340 0.013 0.000 0.212 304 L C -0.829 175.952 176.870 -0.148 0.000 1.075 304 L CA 1.521 56.212 54.840 -0.249 0.000 0.752 304 L CB -2.669 39.072 42.059 -0.528 0.000 0.891 304 L HN 0.053 nan 8.230 nan 0.000 0.432 305 P HA -0.171 nan 4.420 nan 0.000 0.215 305 P C 1.916 179.217 177.300 0.002 0.000 1.157 305 P CA 2.576 65.648 63.100 -0.046 0.000 0.868 305 P CB -0.315 31.348 31.700 -0.062 0.000 0.788 306 T N -1.729 112.828 114.554 0.004 0.000 2.653 306 T HA -0.224 4.134 4.350 0.013 0.000 0.268 306 T C 1.715 176.466 174.700 0.085 0.000 1.035 306 T CA 1.440 63.620 62.100 0.133 0.000 1.154 306 T CB -1.306 67.562 68.868 -0.001 0.000 0.862 306 T HN -0.069 nan 8.240 nan 0.000 0.441 307 L N 1.060 122.225 121.223 -0.096 0.000 2.240 307 L HA 0.372 4.720 4.340 0.013 0.000 0.211 307 L C 2.622 179.306 176.870 -0.310 0.000 1.106 307 L CA 1.290 55.973 54.840 -0.262 0.000 0.793 307 L CB -0.944 40.880 42.059 -0.392 0.000 0.927 307 L HN 0.237 nan 8.230 nan 0.000 0.446 308 R N -2.328 118.081 120.500 -0.153 0.000 2.285 308 R HA -0.183 4.165 4.340 0.013 0.000 0.213 308 R C 1.361 177.801 176.300 0.233 0.000 1.068 308 R CA 1.062 57.151 56.100 -0.018 0.000 1.004 308 R CB -0.098 30.210 30.300 0.014 0.000 0.873 308 R HN 0.394 nan 8.270 nan 0.000 0.467 309 Y N -1.263 119.035 120.300 -0.003 0.000 2.498 309 Y HA 0.088 4.646 4.550 0.013 0.000 0.259 309 Y C 1.333 177.129 175.900 -0.173 0.000 1.086 309 Y CA -0.223 57.893 58.100 0.027 0.000 1.287 309 Y CB 0.268 38.900 38.460 0.286 0.000 1.146 309 Y HN 0.024 nan 8.280 nan 0.000 0.523 310 L N -0.484 120.659 121.223 -0.134 0.000 2.005 310 L HA -0.148 4.200 4.340 0.013 0.000 0.207 310 L C 1.981 178.956 176.870 0.176 0.000 1.072 310 L CA 1.957 56.693 54.840 -0.174 0.000 0.744 310 L CB -1.350 40.650 42.059 -0.098 0.000 0.895 310 L HN 0.208 nan 8.230 nan 0.000 0.433 311 F N -0.862 119.077 119.950 -0.019 0.000 2.293 311 F HA -0.184 4.351 4.527 0.013 0.000 0.300 311 F C 2.361 178.271 175.800 0.182 0.000 1.086 311 F CA 0.324 58.369 58.000 0.075 0.000 1.375 311 F CB -0.295 38.740 39.000 0.059 0.000 1.045 311 F HN 0.230 nan 8.300 nan 0.000 0.516 312 A N 0.270 123.279 122.820 0.316 0.000 1.897 312 A HA -0.154 4.174 4.320 0.013 0.000 0.215 312 A C 1.972 179.485 177.584 -0.117 0.000 1.181 312 A CA 1.037 53.084 52.037 0.018 0.000 0.620 312 A CB -0.864 18.055 19.000 -0.135 0.000 0.821 312 A HN 0.332 nan 8.150 nan 0.000 0.443 313 L N 0.270 121.391 121.223 -0.169 0.000 2.042 313 L HA -0.129 4.219 4.340 0.013 0.000 0.210 313 L C 2.153 179.029 176.870 0.009 0.000 1.076 313 L CA 2.932 57.658 54.840 -0.189 0.000 0.749 313 L CB -0.991 40.895 42.059 -0.288 0.000 0.893 313 L HN 0.365 nan 8.230 nan 0.000 0.432 314 T N -0.836 113.762 114.554 0.074 0.000 3.088 314 T HA 0.250 4.608 4.350 0.013 0.000 0.259 314 T C 1.485 176.208 174.700 0.038 0.000 1.122 314 T CA 0.618 62.776 62.100 0.098 0.000 1.095 314 T CB -0.152 68.738 68.868 0.036 0.000 0.930 314 T HN 0.486 nan 8.240 nan 0.000 0.508 315 A N 1.590 124.427 122.820 0.028 0.000 2.536 315 A HA 0.736 5.064 4.320 0.013 0.000 0.219 315 A C 1.486 179.049 177.584 -0.035 0.000 1.926 315 A CA 0.557 52.602 52.037 0.013 0.000 0.710 315 A CB -0.897 18.151 19.000 0.080 0.000 1.364 315 A HN 0.471 nan 8.150 nan 0.000 0.522 316 G N -1.954 106.784 108.800 -0.103 0.000 3.008 316 G HA2 0.455 4.423 3.960 0.013 0.000 0.181 316 G HA3 0.455 4.423 3.960 0.013 0.000 0.181 316 G C -0.673 174.097 174.900 -0.217 0.000 1.309 316 G CA 0.449 45.465 45.100 -0.140 0.000 1.009 316 G HN 0.538 nan 8.290 nan 0.000 0.584 317 V N 1.850 121.598 119.914 -0.278 0.000 2.908 317 V HA 0.187 4.315 4.120 0.013 0.000 0.369 317 V C -1.406 174.493 176.094 -0.325 0.000 1.259 317 V CA -0.585 61.451 62.300 -0.441 0.000 1.406 317 V CB 0.388 31.900 31.823 -0.519 0.000 1.475 317 V HN 0.463 nan 8.190 nan 0.000 0.587 318 P HA 0.035 nan 4.420 nan 0.000 0.222 318 P C 0.785 177.986 177.300 -0.165 0.000 1.142 318 P CA 1.344 64.310 63.100 -0.223 0.000 0.788 318 P CB 0.162 31.702 31.700 -0.266 0.000 0.767 319 G N -1.222 107.449 108.800 -0.216 0.000 1.950 319 G HA2 -0.025 3.943 3.960 0.013 0.000 0.231 319 G HA3 -0.025 3.943 3.960 0.013 0.000 0.231 319 G C -1.286 173.525 174.900 -0.149 0.000 1.685 319 G CA -0.718 44.304 45.100 -0.128 0.000 0.922 319 G HN -0.032 nan 8.290 nan 0.000 0.717 320 H N 2.808 121.814 119.070 -0.105 0.000 3.362 320 H HA 0.099 4.663 4.556 0.013 0.000 0.248 320 H C 0.410 175.676 175.328 -0.104 0.000 1.276 320 H CA 0.602 56.579 56.048 -0.119 0.000 1.520 320 H CB 0.678 30.392 29.762 -0.080 0.000 1.624 320 H HN 0.638 nan 8.280 nan 0.000 0.502 321 E N 2.671 122.858 120.200 -0.021 0.000 2.136 321 E HA 0.186 4.544 4.350 0.013 0.000 0.246 321 E C -0.294 176.304 176.600 -0.004 0.000 1.017 321 E CA -0.850 55.566 56.400 0.028 0.000 0.883 321 E CB 0.262 30.050 29.700 0.147 0.000 1.199 321 E HN 0.191 nan 8.360 nan 0.000 0.447 322 V N -0.419 119.471 119.914 -0.040 0.000 2.311 322 V HA 0.369 4.497 4.120 0.013 0.000 0.275 322 V C -0.509 175.580 176.094 -0.009 0.000 1.022 322 V CA -0.976 61.281 62.300 -0.072 0.000 0.830 322 V CB 1.018 32.773 31.823 -0.114 0.000 1.012 322 V HN 0.180 nan 8.190 nan 0.000 0.452 323 D N 3.547 123.964 120.400 0.028 0.000 2.295 323 D HA 0.201 4.849 4.640 0.013 0.000 0.248 323 D C -0.315 175.974 176.300 -0.019 0.000 1.154 323 D CA 0.159 54.165 54.000 0.010 0.000 0.857 323 D CB 1.786 42.614 40.800 0.047 0.000 1.117 323 D HN 0.640 nan 8.370 nan 0.000 0.468 324 D N 2.910 123.296 120.400 -0.023 0.000 2.402 324 D HA 0.035 4.683 4.640 0.013 0.000 0.235 324 D C 1.413 177.649 176.300 -0.107 0.000 1.226 324 D CA -0.501 53.480 54.000 -0.032 0.000 0.918 324 D CB 0.616 41.448 40.800 0.053 0.000 1.043 324 D HN 0.171 nan 8.370 nan 0.000 0.506 325 I N 2.715 123.194 120.570 -0.151 0.000 2.103 325 I HA -0.368 3.810 4.170 0.013 0.000 0.241 325 I C 1.877 177.871 176.117 -0.205 0.000 1.036 325 I CA 1.440 62.610 61.300 -0.217 0.000 1.300 325 I CB -0.546 37.370 38.000 -0.140 0.000 1.010 325 I HN 0.339 nan 8.210 nan 0.000 0.406 326 D N -0.690 119.563 120.400 -0.244 0.000 2.378 326 D HA -0.145 4.503 4.640 0.013 0.000 0.222 326 D C 1.023 177.144 176.300 -0.298 0.000 0.980 326 D CA 0.557 54.381 54.000 -0.293 0.000 0.907 326 D CB -0.601 39.936 40.800 -0.438 0.000 0.899 326 D HN 0.426 nan 8.370 nan 0.000 0.527 327 H N 1.510 120.389 119.070 -0.318 0.000 3.107 327 H HA -0.073 4.491 4.556 0.013 0.000 0.301 327 H C 1.135 176.479 175.328 0.028 0.000 0.981 327 H CA -0.308 55.712 56.048 -0.048 0.000 1.443 327 H CB 0.699 30.462 29.762 0.001 0.000 1.479 327 H HN -0.121 nan 8.280 nan 0.000 0.564 328 L N 5.077 126.463 121.223 0.273 0.000 2.456 328 L HA -0.123 4.225 4.340 0.013 0.000 0.225 328 L C 2.592 179.658 176.870 0.327 0.000 1.142 328 L CA 1.747 56.766 54.840 0.297 0.000 0.796 328 L CB -0.983 41.243 42.059 0.279 0.000 0.920 328 L HN 0.806 nan 8.230 nan 0.000 0.446 329 G N -1.115 107.944 108.800 0.431 0.000 2.679 329 G HA2 -0.147 3.821 3.960 0.013 0.000 0.212 329 G HA3 -0.147 3.821 3.960 0.013 0.000 0.212 329 G C 1.066 175.887 174.900 -0.132 0.000 1.137 329 G CA 0.224 45.331 45.100 0.012 0.000 0.787 329 G HN 0.461 nan 8.290 nan 0.000 0.534 330 N N 0.093 118.802 118.700 0.015 0.000 2.377 330 N HA 0.162 4.910 4.740 0.013 0.000 0.259 330 N C -0.325 175.228 175.510 0.072 0.000 1.332 330 N CA -0.121 52.920 53.050 -0.016 0.000 0.877 330 N CB 1.216 39.467 38.487 -0.394 0.000 1.299 330 N HN 0.202 nan 8.380 nan 0.000 0.501 331 R N 0.773 121.418 120.500 0.242 0.000 2.502 331 R HA 0.386 4.734 4.340 0.013 0.000 0.300 331 R C -0.531 176.010 176.300 0.402 0.000 0.984 331 R CA -0.576 55.683 56.100 0.265 0.000 0.882 331 R CB 2.637 33.059 30.300 0.203 0.000 1.180 331 R HN 0.032 nan 8.270 nan 0.000 0.444 332 R N 2.966 123.692 120.500 0.377 0.000 2.664 332 R HA 0.470 4.817 4.340 0.013 0.000 0.286 332 R C -0.958 175.450 176.300 0.180 0.000 0.967 332 R CA -0.691 55.556 56.100 0.245 0.000 0.933 332 R CB 0.997 31.449 30.300 0.254 0.000 1.146 332 R HN 0.349 nan 8.270 nan 0.000 0.468 333 I N 3.433 124.017 120.570 0.024 0.000 2.378 333 I HA 0.343 4.521 4.170 0.013 0.000 0.291 333 I C 0.046 176.117 176.117 -0.077 0.000 0.992 333 I CA -0.549 60.734 61.300 -0.029 0.000 1.154 333 I CB 1.738 39.724 38.000 -0.024 0.000 1.315 333 I HN 0.490 nan 8.210 nan 0.000 0.448 334 R N 4.383 124.813 120.500 -0.117 0.000 2.272 334 R HA 0.278 4.626 4.340 0.013 0.000 0.334 334 R C 0.162 176.422 176.300 -0.067 0.000 1.117 334 R CA -0.341 55.694 56.100 -0.108 0.000 0.966 334 R CB -0.117 30.090 30.300 -0.155 0.000 1.049 334 R HN 0.716 nan 8.270 nan 0.000 0.477 335 T N -1.413 113.110 114.554 -0.051 0.000 2.860 335 T HA 0.038 4.396 4.350 0.013 0.000 0.299 335 T C 1.844 176.538 174.700 -0.009 0.000 1.045 335 T CA -0.934 61.146 62.100 -0.033 0.000 1.071 335 T CB 1.068 69.919 68.868 -0.027 0.000 0.985 335 T HN 0.168 nan 8.240 nan 0.000 0.537 336 V N 3.127 123.036 119.914 -0.008 0.000 2.222 336 V HA -0.227 3.901 4.120 0.013 0.000 0.252 336 V C 2.969 179.095 176.094 0.054 0.000 1.060 336 V CA 2.595 64.891 62.300 -0.006 0.000 1.027 336 V CB -1.922 29.869 31.823 -0.053 0.000 0.644 336 V HN 1.168 nan 8.190 nan 0.000 0.448 337 G N -0.708 108.165 108.800 0.123 0.000 2.681 337 G HA2 -0.421 3.547 3.960 0.013 0.000 0.220 337 G HA3 -0.421 3.547 3.960 0.013 0.000 0.220 337 G C 1.528 176.495 174.900 0.111 0.000 1.210 337 G CA 1.341 46.572 45.100 0.220 0.000 0.783 337 G HN 0.629 nan 8.290 nan 0.000 0.609 338 E N 0.173 120.398 120.200 0.041 0.000 2.130 338 E HA -0.144 4.214 4.350 0.013 0.000 0.196 338 E C 2.615 179.200 176.600 -0.025 0.000 0.998 338 E CA 1.041 57.441 56.400 0.000 0.000 0.806 338 E CB -0.210 29.478 29.700 -0.019 0.000 0.738 338 E HN 0.544 nan 8.360 nan 0.000 0.459 339 L N 0.127 121.339 121.223 -0.018 0.000 2.027 339 L HA -0.177 4.171 4.340 0.013 0.000 0.206 339 L C 2.868 179.601 176.870 -0.228 0.000 1.074 339 L CA 0.967 55.756 54.840 -0.084 0.000 0.745 339 L CB -0.483 41.632 42.059 0.092 0.000 0.898 339 L HN 0.294 nan 8.230 nan 0.000 0.433 340 M N -0.539 119.080 119.600 0.032 0.000 2.098 340 M HA -0.178 4.310 4.480 0.013 0.000 0.262 340 M C 2.455 178.828 176.300 0.121 0.000 1.072 340 M CA 2.115 57.513 55.300 0.163 0.000 1.133 340 M CB -0.630 32.247 32.600 0.462 0.000 1.344 340 M HN 0.240 nan 8.290 nan 0.000 0.414 341 T N 0.296 114.913 114.554 0.105 0.000 2.665 341 T HA -0.245 4.113 4.350 0.013 0.000 0.268 341 T C 1.360 176.078 174.700 0.031 0.000 1.035 341 T CA 2.514 64.642 62.100 0.046 0.000 1.151 341 T CB -0.441 68.412 68.868 -0.025 0.000 0.862 341 T HN 0.587 nan 8.240 nan 0.000 0.438 342 D N -0.271 120.099 120.400 -0.049 0.000 2.137 342 D HA -0.189 4.459 4.640 0.013 0.000 0.189 342 D C 2.290 178.526 176.300 -0.106 0.000 0.998 342 D CA 1.832 55.778 54.000 -0.090 0.000 0.839 342 D CB -0.340 40.374 40.800 -0.144 0.000 0.962 342 D HN 0.340 nan 8.370 nan 0.000 0.446 343 Q N -1.268 118.409 119.800 -0.206 0.000 2.170 343 Q HA -0.073 4.275 4.340 0.013 0.000 0.203 343 Q C 1.809 177.752 176.000 -0.094 0.000 0.976 343 Q CA 1.022 56.708 55.803 -0.195 0.000 0.858 343 Q CB -0.457 28.087 28.738 -0.324 0.000 0.907 343 Q HN 0.448 nan 8.270 nan 0.000 0.433 344 F N 1.445 121.318 119.950 -0.129 0.000 2.095 344 F HA -0.237 4.298 4.527 0.013 0.000 0.298 344 F C 2.138 177.849 175.800 -0.149 0.000 1.104 344 F CA 1.842 59.765 58.000 -0.128 0.000 1.232 344 F CB -0.144 38.766 39.000 -0.151 0.000 0.987 344 F HN 0.115 nan 8.300 nan 0.000 0.475 345 R N -0.305 120.248 120.500 0.088 0.000 2.237 345 R HA -0.057 4.291 4.340 0.013 0.000 0.219 345 R C 1.847 178.116 176.300 -0.051 0.000 1.080 345 R CA 1.410 57.521 56.100 0.019 0.000 0.995 345 R CB -1.503 28.802 30.300 0.010 0.000 0.875 345 R HN 0.318 nan 8.270 nan 0.000 0.462 346 V N 1.574 121.440 119.914 -0.079 0.000 2.453 346 V HA -0.086 4.042 4.120 0.013 0.000 0.247 346 V C 2.565 178.591 176.094 -0.113 0.000 1.048 346 V CA 2.031 64.281 62.300 -0.084 0.000 1.049 346 V CB -0.608 31.165 31.823 -0.084 0.000 0.672 346 V HN 0.583 nan 8.190 nan 0.000 0.457 347 G N -0.321 108.367 108.800 -0.185 0.000 2.404 347 G HA2 -0.186 3.782 3.960 0.013 0.000 0.215 347 G HA3 -0.186 3.782 3.960 0.013 0.000 0.215 347 G C 1.479 176.259 174.900 -0.200 0.000 1.174 347 G CA 0.654 45.616 45.100 -0.231 0.000 0.780 347 G HN 0.350 nan 8.290 nan 0.000 0.537 348 L N 1.519 122.619 121.223 -0.205 0.000 2.043 348 L HA -0.058 4.290 4.340 0.013 0.000 0.212 348 L C 3.258 180.093 176.870 -0.057 0.000 1.075 348 L CA 1.782 56.570 54.840 -0.086 0.000 0.752 348 L CB -1.024 41.038 42.059 0.005 0.000 0.891 348 L HN 0.304 nan 8.230 nan 0.000 0.432 349 A N -1.000 121.786 122.820 -0.056 0.000 1.873 349 A HA -0.217 4.111 4.320 0.013 0.000 0.215 349 A C 2.464 180.018 177.584 -0.050 0.000 1.186 349 A CA 1.606 53.618 52.037 -0.042 0.000 0.616 349 A CB -0.476 18.503 19.000 -0.035 0.000 0.823 349 A HN 0.342 nan 8.150 nan 0.000 0.442 350 R N -1.086 119.376 120.500 -0.064 0.000 2.105 350 R HA -0.151 4.197 4.340 0.013 0.000 0.239 350 R C 2.126 178.389 176.300 -0.062 0.000 1.135 350 R CA 1.570 57.634 56.100 -0.060 0.000 0.967 350 R CB -0.488 29.771 30.300 -0.068 0.000 0.861 350 R HN 0.558 nan 8.270 nan 0.000 0.442 351 L N 0.239 121.416 121.223 -0.076 0.000 2.023 351 L HA 0.026 4.374 4.340 0.013 0.000 0.205 351 L C 2.159 178.987 176.870 -0.071 0.000 1.073 351 L CA 2.033 56.828 54.840 -0.075 0.000 0.745 351 L CB -0.777 41.233 42.059 -0.081 0.000 0.900 351 L HN 0.087 nan 8.230 nan 0.000 0.435 352 A N -0.076 122.699 122.820 -0.075 0.000 2.084 352 A HA -0.277 4.051 4.320 0.013 0.000 0.221 352 A C 2.520 180.076 177.584 -0.046 0.000 1.161 352 A CA 1.884 53.878 52.037 -0.072 0.000 0.653 352 A CB -0.832 18.132 19.000 -0.060 0.000 0.802 352 A HN 0.600 nan 8.150 nan 0.000 0.457 353 R N -0.610 119.866 120.500 -0.040 0.000 2.070 353 R HA -0.111 4.237 4.340 0.013 0.000 0.233 353 R C 2.324 178.608 176.300 -0.027 0.000 1.137 353 R CA 1.727 57.811 56.100 -0.027 0.000 0.945 353 R CB -0.775 29.510 30.300 -0.025 0.000 0.845 353 R HN 0.433 nan 8.270 nan 0.000 0.430 354 G N 0.314 109.094 108.800 -0.033 0.000 2.408 354 G HA2 -0.223 3.745 3.960 0.013 0.000 0.217 354 G HA3 -0.223 3.745 3.960 0.013 0.000 0.217 354 G C 1.403 176.285 174.900 -0.031 0.000 1.150 354 G CA 0.671 45.752 45.100 -0.030 0.000 0.776 354 G HN 0.316 nan 8.290 nan 0.000 0.542 355 V N 0.599 120.490 119.914 -0.039 0.000 2.392 355 V HA -0.129 3.999 4.120 0.013 0.000 0.249 355 V C 2.776 178.853 176.094 -0.028 0.000 1.059 355 V CA 2.274 64.551 62.300 -0.038 0.000 1.051 355 V CB -0.387 31.402 31.823 -0.056 0.000 0.658 355 V HN 0.392 nan 8.190 nan 0.000 0.455 356 R N -0.410 120.076 120.500 -0.024 0.000 2.092 356 R HA -0.117 4.231 4.340 0.013 0.000 0.231 356 R C 2.246 178.538 176.300 -0.013 0.000 1.119 356 R CA 1.816 57.908 56.100 -0.014 0.000 0.970 356 R CB -0.251 30.045 30.300 -0.007 0.000 0.864 356 R HN 0.672 nan 8.270 nan 0.000 0.440 357 E N 0.194 120.385 120.200 -0.015 0.000 2.150 357 E HA -0.157 4.201 4.350 0.013 0.000 0.193 357 E C 1.242 177.833 176.600 -0.016 0.000 0.985 357 E CA 0.853 57.245 56.400 -0.014 0.000 0.814 357 E CB 0.034 29.725 29.700 -0.014 0.000 0.752 357 E HN 0.169 nan 8.360 nan 0.000 0.466 358 R N 0.078 120.567 120.500 -0.018 0.000 2.423 358 R HA 0.139 4.487 4.340 0.013 0.000 0.248 358 R C 1.513 177.800 176.300 -0.022 0.000 1.019 358 R CA 0.043 56.131 56.100 -0.019 0.000 1.119 358 R CB 0.191 30.479 30.300 -0.020 0.000 1.176 358 R HN 0.116 nan 8.270 nan 0.000 0.526 359 M N -0.055 119.532 119.600 -0.022 0.000 2.653 359 M HA 0.118 4.606 4.480 0.013 0.000 0.259 359 M C 0.966 177.248 176.300 -0.029 0.000 1.244 359 M CA 1.438 56.721 55.300 -0.027 0.000 1.163 359 M CB 0.394 32.981 32.600 -0.022 0.000 1.309 359 M HN 0.206 nan 8.290 nan 0.000 0.509 360 L N -1.991 119.219 121.223 -0.022 0.000 2.463 360 L HA 0.228 4.576 4.340 0.013 0.000 0.219 360 L C 2.283 179.141 176.870 -0.019 0.000 1.088 360 L CA 0.242 55.070 54.840 -0.020 0.000 0.849 360 L CB -0.898 41.152 42.059 -0.016 0.000 1.012 360 L HN 0.152 nan 8.230 nan 0.000 0.468 361 M N 0.978 120.567 119.600 -0.018 0.000 2.476 361 M HA 0.183 4.671 4.480 0.013 0.000 0.262 361 M C 0.731 177.021 176.300 -0.016 0.000 1.079 361 M CA 0.811 56.102 55.300 -0.016 0.000 1.104 361 M CB 0.126 32.717 32.600 -0.014 0.000 1.409 361 M HN 0.375 nan 8.290 nan 0.000 0.467 362 G N -0.636 108.152 108.800 -0.021 0.000 2.733 362 G HA2 0.445 4.413 3.960 0.013 0.000 0.288 362 G HA3 0.445 4.413 3.960 0.013 0.000 0.288 362 G C -1.158 173.727 174.900 -0.025 0.000 1.373 362 G CA -0.624 44.464 45.100 -0.020 0.000 0.895 362 G HN 0.311 nan 8.290 nan 0.000 0.479 363 S N 0.996 116.684 115.700 -0.020 0.000 2.525 363 S HA 0.158 4.636 4.470 0.013 0.000 0.285 363 S C 0.971 175.551 174.600 -0.034 0.000 1.283 363 S CA -0.343 57.844 58.200 -0.021 0.000 1.072 363 S CB 1.243 64.436 63.200 -0.011 0.000 0.867 363 S HN 0.625 nan 8.310 nan 0.000 0.492 364 E N 3.093 123.265 120.200 -0.046 0.000 1.941 364 E HA -0.288 4.070 4.350 0.013 0.000 0.231 364 E C 1.668 178.211 176.600 -0.095 0.000 0.874 364 E CA 1.846 58.195 56.400 -0.085 0.000 0.937 364 E CB -0.771 28.888 29.700 -0.068 0.000 0.809 364 E HN 1.003 nan 8.360 nan 0.000 0.586 365 D N 0.576 120.948 120.400 -0.047 0.000 2.354 365 D HA -0.099 4.549 4.640 0.013 0.000 0.216 365 D C 1.474 177.791 176.300 0.029 0.000 0.970 365 D CA 1.079 55.099 54.000 0.035 0.000 0.905 365 D CB -0.266 40.613 40.800 0.132 0.000 0.903 365 D HN 0.003 nan 8.370 nan 0.000 0.508 366 S N -0.208 115.495 115.700 0.004 0.000 2.469 366 S HA -0.045 4.433 4.470 0.013 0.000 0.238 366 S C 0.973 175.576 174.600 0.004 0.000 0.998 366 S CA 0.368 58.572 58.200 0.007 0.000 0.957 366 S CB -0.433 62.767 63.200 -0.000 0.000 0.764 366 S HN 0.476 nan 8.310 nan 0.000 0.514 367 L N 0.898 122.116 121.223 -0.009 0.000 2.282 367 L HA 0.749 5.097 4.340 0.013 0.000 0.288 367 L C -0.110 176.766 176.870 0.010 0.000 1.033 367 L CA -0.318 54.517 54.840 -0.007 0.000 0.807 367 L CB 1.176 43.220 42.059 -0.026 0.000 1.209 367 L HN -0.113 nan 8.230 nan 0.000 0.423 368 T N 0.072 114.640 114.554 0.023 0.000 2.693 368 T HA 0.594 4.952 4.350 0.013 0.000 0.278 368 T C -2.127 172.594 174.700 0.035 0.000 0.994 368 T CA -1.543 60.582 62.100 0.041 0.000 1.033 368 T CB 1.004 69.898 68.868 0.044 0.000 1.342 368 T HN 0.244 nan 8.240 nan 0.000 0.538 369 P HA -0.302 nan 4.420 nan 0.000 0.222 369 P C 1.688 179.006 177.300 0.030 0.000 1.147 369 P CA 2.624 65.749 63.100 0.042 0.000 0.958 369 P CB -0.495 31.233 31.700 0.046 0.000 0.788 370 A N -0.861 121.977 122.820 0.030 0.000 1.869 370 A HA -0.314 4.014 4.320 0.013 0.000 0.218 370 A C 2.213 179.801 177.584 0.007 0.000 1.203 370 A CA 2.783 54.833 52.037 0.022 0.000 0.638 370 A CB -1.516 17.501 19.000 0.029 0.000 0.831 370 A HN 0.147 nan 8.150 nan 0.000 0.450 371 K N -1.230 119.175 120.400 0.008 0.000 2.442 371 K HA -0.069 4.259 4.320 0.013 0.000 0.200 371 K C 0.931 177.526 176.600 -0.008 0.000 1.045 371 K CA 1.105 57.392 56.287 -0.001 0.000 0.937 371 K CB -0.225 32.275 32.500 -0.001 0.000 0.757 371 K HN 0.427 nan 8.250 nan 0.000 0.474 372 L N -1.179 120.040 121.223 -0.006 0.000 2.781 372 L HA 0.213 4.561 4.340 0.013 0.000 0.245 372 L C -0.630 176.224 176.870 -0.027 0.000 1.118 372 L CA -0.102 54.728 54.840 -0.016 0.000 0.918 372 L CB 1.317 43.371 42.059 -0.008 0.000 1.246 372 L HN -0.227 nan 8.230 nan 0.000 0.526 373 V N 0.983 120.884 119.914 -0.022 0.000 2.540 373 V HA 0.412 4.540 4.120 0.013 0.000 0.302 373 V C -0.867 175.193 176.094 -0.055 0.000 1.035 373 V CA -0.693 61.586 62.300 -0.036 0.000 0.873 373 V CB 1.674 33.487 31.823 -0.016 0.000 0.992 373 V HN 0.492 nan 8.190 nan 0.000 0.428 374 N N 1.466 120.122 118.700 -0.073 0.000 2.519 374 N HA 0.266 5.014 4.740 0.013 0.000 0.286 374 N C 0.149 175.587 175.510 -0.120 0.000 1.079 374 N CA -0.656 52.338 53.050 -0.094 0.000 0.878 374 N CB 1.876 40.323 38.487 -0.066 0.000 1.375 374 N HN 0.313 nan 8.380 nan 0.000 0.514 375 S N 1.266 116.854 115.700 -0.187 0.000 2.595 375 S HA -0.082 4.396 4.470 0.013 0.000 0.235 375 S C 1.763 176.279 174.600 -0.140 0.000 0.974 375 S CA 0.320 58.400 58.200 -0.200 0.000 0.942 375 S CB -0.280 62.705 63.200 -0.358 0.000 0.766 375 S HN 0.530 nan 8.310 nan 0.000 0.536 376 R N 2.156 122.591 120.500 -0.107 0.000 2.097 376 R HA -0.073 4.275 4.340 0.013 0.000 0.236 376 R C -0.848 175.408 176.300 -0.073 0.000 1.135 376 R CA 1.803 57.859 56.100 -0.073 0.000 0.934 376 R CB -1.435 28.833 30.300 -0.054 0.000 0.846 376 R HN 0.285 nan 8.270 nan 0.000 0.431 377 P HA -0.171 nan 4.420 nan 0.000 0.213 377 P C 1.173 178.403 177.300 -0.117 0.000 1.170 377 P CA 1.006 64.054 63.100 -0.086 0.000 0.902 377 P CB -0.056 31.591 31.700 -0.087 0.000 0.789 378 L N -0.464 120.666 121.223 -0.156 0.000 2.042 378 L HA -0.207 4.141 4.340 0.013 0.000 0.210 378 L C 2.389 179.148 176.870 -0.186 0.000 1.076 378 L CA 1.948 56.647 54.840 -0.236 0.000 0.749 378 L CB -1.070 40.816 42.059 -0.289 0.000 0.893 378 L HN -0.119 nan 8.230 nan 0.000 0.432 379 E N -0.622 119.506 120.200 -0.121 0.000 2.017 379 E HA -0.202 4.156 4.350 0.013 0.000 0.193 379 E C 2.164 178.735 176.600 -0.048 0.000 0.997 379 E CA 1.537 57.895 56.400 -0.071 0.000 0.804 379 E CB -0.396 29.282 29.700 -0.037 0.000 0.757 379 E HN 0.487 nan 8.360 nan 0.000 0.448 380 A N 0.807 123.603 122.820 -0.041 0.000 1.978 380 A HA -0.154 4.174 4.320 0.013 0.000 0.220 380 A C 2.352 179.929 177.584 -0.012 0.000 1.170 380 A CA 2.178 54.205 52.037 -0.018 0.000 0.636 380 A CB -1.073 17.916 19.000 -0.018 0.000 0.810 380 A HN 0.397 nan 8.150 nan 0.000 0.448 381 A N 0.267 123.058 122.820 -0.047 0.000 1.834 381 A HA -0.134 4.194 4.320 0.013 0.000 0.216 381 A C 2.127 179.716 177.584 0.008 0.000 1.203 381 A CA 1.668 53.675 52.037 -0.049 0.000 0.621 381 A CB -0.825 18.095 19.000 -0.132 0.000 0.841 381 A HN 0.483 nan 8.150 nan 0.000 0.446 382 I N -0.899 119.656 120.570 -0.025 0.000 2.099 382 I HA -0.308 3.870 4.170 0.013 0.000 0.239 382 I C 2.739 178.919 176.117 0.106 0.000 1.066 382 I CA 2.039 63.373 61.300 0.056 0.000 1.324 382 I CB -0.446 37.527 38.000 -0.045 0.000 1.037 382 I HN 0.457 nan 8.210 nan 0.000 0.401 383 R N 1.202 121.709 120.500 0.012 0.000 2.113 383 R HA -0.290 4.058 4.340 0.013 0.000 0.244 383 R C 2.227 178.595 176.300 0.112 0.000 1.142 383 R CA 2.323 58.439 56.100 0.025 0.000 0.953 383 R CB -0.392 29.915 30.300 0.012 0.000 0.860 383 R HN 0.390 nan 8.270 nan 0.000 0.438 384 E N -0.837 119.432 120.200 0.115 0.000 2.085 384 E HA -0.242 4.116 4.350 0.013 0.000 0.194 384 E C 1.700 178.428 176.600 0.213 0.000 0.994 384 E CA 1.523 58.001 56.400 0.129 0.000 0.801 384 E CB -0.239 29.521 29.700 0.099 0.000 0.743 384 E HN 0.384 nan 8.360 nan 0.000 0.453 385 F N 0.525 120.543 119.950 0.114 0.000 2.046 385 F HA -0.216 4.320 4.527 0.013 0.000 0.297 385 F C 1.820 177.701 175.800 0.134 0.000 1.123 385 F CA 1.476 59.550 58.000 0.123 0.000 1.199 385 F CB -0.694 38.407 39.000 0.169 0.000 0.972 385 F HN 0.024 nan 8.300 nan 0.000 0.474 386 F N 0.533 120.377 119.950 -0.177 0.000 2.269 386 F HA -0.137 4.398 4.527 0.013 0.000 0.301 386 F C 2.727 178.406 175.800 -0.202 0.000 1.082 386 F CA 1.387 59.190 58.000 -0.328 0.000 1.360 386 F CB -1.252 37.614 39.000 -0.222 0.000 1.041 386 F HN 0.154 nan 8.300 nan 0.000 0.512 387 S N -1.944 113.812 115.700 0.094 0.000 2.505 387 S HA 0.216 4.694 4.470 0.013 0.000 0.216 387 S C 1.641 176.258 174.600 0.028 0.000 1.018 387 S CA -0.225 58.008 58.200 0.055 0.000 0.911 387 S CB 0.334 63.577 63.200 0.072 0.000 0.818 387 S HN 0.189 nan 8.310 nan 0.000 0.497 388 R N 1.283 121.801 120.500 0.029 0.000 2.383 388 R HA 0.391 4.739 4.340 0.013 0.000 0.205 388 R C 0.577 176.887 176.300 0.018 0.000 0.875 388 R CA 0.359 56.476 56.100 0.029 0.000 1.039 388 R CB 0.073 30.404 30.300 0.051 0.000 1.267 388 R HN 0.306 nan 8.270 nan 0.000 0.635 389 S N 1.125 116.836 115.700 0.018 0.000 2.558 389 S HA -0.091 4.387 4.470 0.013 0.000 0.293 389 S C 0.808 175.386 174.600 -0.037 0.000 1.292 389 S CA 0.054 58.278 58.200 0.040 0.000 1.063 389 S CB 0.576 63.838 63.200 0.103 0.000 0.831 389 S HN 0.298 nan 8.310 nan 0.000 0.499 390 Q N 3.017 122.822 119.800 0.007 0.000 2.561 390 Q HA -0.035 4.313 4.340 0.013 0.000 0.217 390 Q C 1.448 177.427 176.000 -0.035 0.000 0.980 390 Q CA 0.508 56.305 55.803 -0.010 0.000 0.927 390 Q CB -0.083 28.661 28.738 0.011 0.000 0.980 390 Q HN 0.765 nan 8.270 nan 0.000 0.525 391 L N -0.818 120.359 121.223 -0.076 0.000 2.357 391 L HA 0.113 4.461 4.340 0.013 0.000 0.211 391 L C 0.168 176.914 176.870 -0.207 0.000 1.075 391 L CA 0.184 54.956 54.840 -0.114 0.000 0.830 391 L CB 0.674 42.699 42.059 -0.058 0.000 0.996 391 L HN -0.093 nan 8.230 nan 0.000 0.467 392 S N 1.005 116.507 115.700 -0.330 0.000 2.465 392 S HA 0.443 4.921 4.470 0.013 0.000 0.279 392 S C -0.572 173.957 174.600 -0.120 0.000 1.201 392 S CA -0.510 57.490 58.200 -0.332 0.000 1.053 392 S CB 1.386 64.256 63.200 -0.550 0.000 0.953 392 S HN 0.283 nan 8.310 nan 0.000 0.488 393 Q N 0.583 120.385 119.800 0.002 0.000 2.668 393 Q HA 0.501 4.849 4.340 0.013 0.000 0.298 393 Q C -0.949 175.158 176.000 0.179 0.000 1.071 393 Q CA -0.895 54.981 55.803 0.121 0.000 0.789 393 Q CB 1.338 30.185 28.738 0.182 0.000 1.497 393 Q HN 0.645 nan 8.270 nan 0.000 0.460 394 F N 1.676 121.590 119.950 -0.061 0.000 2.578 394 F HA -0.014 4.521 4.527 0.014 0.000 0.376 394 F C 0.822 176.474 175.800 -0.247 0.000 1.085 394 F CA 0.280 58.210 58.000 -0.116 0.000 1.260 394 F CB 0.522 39.450 39.000 -0.119 0.000 1.095 394 F HN 0.250 nan 8.300 nan 0.000 0.573 395 K N 4.832 125.124 120.400 -0.180 0.000 2.166 395 K HA -0.040 4.288 4.320 0.013 0.000 0.273 395 K C -0.338 176.089 176.600 -0.289 0.000 1.095 395 K CA -0.538 55.600 56.287 -0.248 0.000 0.985 395 K CB -0.113 32.300 32.500 -0.145 0.000 1.172 395 K HN 0.477 nan 8.250 nan 0.000 0.401 396 D N 4.429 124.542 120.400 -0.479 0.000 2.497 396 D HA -0.112 4.536 4.640 0.013 0.000 0.285 396 D C -0.372 175.832 176.300 -0.161 0.000 1.452 396 D CA 0.736 54.571 54.000 -0.275 0.000 1.132 396 D CB 0.319 40.970 40.800 -0.248 0.000 1.132 396 D HN 0.528 nan 8.370 nan 0.000 0.555 397 E N 2.163 122.276 120.200 -0.146 0.000 2.609 397 E HA 0.035 4.393 4.350 0.013 0.000 0.208 397 E C 1.093 177.631 176.600 -0.103 0.000 1.013 397 E CA -0.090 56.245 56.400 -0.109 0.000 1.093 397 E CB 0.399 30.036 29.700 -0.106 0.000 1.129 397 E HN 0.417 nan 8.360 nan 0.000 0.450 398 T N 1.705 116.184 114.554 -0.125 0.000 2.721 398 T HA -0.202 4.156 4.350 0.013 0.000 0.268 398 T C 0.636 175.318 174.700 -0.028 0.000 1.038 398 T CA 1.842 63.872 62.100 -0.117 0.000 1.145 398 T CB -0.233 68.574 68.868 -0.100 0.000 0.858 398 T HN 0.474 nan 8.240 nan 0.000 0.459 399 N N -1.508 117.179 118.700 -0.021 0.000 2.745 399 N HA 0.309 5.057 4.740 0.013 0.000 0.256 399 N C -3.012 172.493 175.510 -0.008 0.000 1.268 399 N CA -1.583 51.467 53.050 -0.000 0.000 0.887 399 N CB 1.228 39.727 38.487 0.021 0.000 1.575 399 N HN -0.324 nan 8.380 nan 0.000 0.496 400 P HA -0.274 nan 4.420 nan 0.000 0.221 400 P C 1.524 178.821 177.300 -0.004 0.000 1.160 400 P CA 1.263 64.356 63.100 -0.012 0.000 0.933 400 P CB 0.097 31.791 31.700 -0.010 0.000 0.793 401 L N -0.623 120.605 121.223 0.007 0.000 1.991 401 L HA -0.268 4.080 4.340 0.013 0.000 0.221 401 L C 2.440 179.317 176.870 0.012 0.000 1.079 401 L CA 2.477 57.323 54.840 0.011 0.000 0.778 401 L CB -1.680 40.391 42.059 0.020 0.000 0.893 401 L HN -0.049 nan 8.230 nan 0.000 0.437 402 S N -0.925 114.782 115.700 0.011 0.000 2.404 402 S HA -0.328 4.150 4.470 0.013 0.000 0.230 402 S C 2.311 176.927 174.600 0.026 0.000 1.046 402 S CA 2.820 61.029 58.200 0.014 0.000 1.135 402 S CB -0.932 62.264 63.200 -0.007 0.000 1.056 402 S HN 0.859 nan 8.310 nan 0.000 0.426 403 S N 1.397 117.097 115.700 -0.000 0.000 2.380 403 S HA -0.195 4.283 4.470 0.013 0.000 0.229 403 S C 1.893 176.518 174.600 0.042 0.000 1.043 403 S CA 1.694 59.899 58.200 0.008 0.000 1.038 403 S CB -1.015 62.167 63.200 -0.029 0.000 0.872 403 S HN 0.461 nan 8.310 nan 0.000 0.456 404 L N 1.973 123.205 121.223 0.016 0.000 2.042 404 L HA 0.018 4.366 4.340 0.013 0.000 0.210 404 L C 2.764 179.642 176.870 0.014 0.000 1.076 404 L CA 2.088 56.931 54.840 0.006 0.000 0.749 404 L CB -0.890 41.166 42.059 -0.006 0.000 0.893 404 L HN 0.422 nan 8.230 nan 0.000 0.432 405 R N -1.489 119.028 120.500 0.028 0.000 2.061 405 R HA -0.254 4.094 4.340 0.013 0.000 0.230 405 R C 2.439 178.754 176.300 0.026 0.000 1.140 405 R CA 1.741 57.854 56.100 0.021 0.000 0.940 405 R CB -0.631 29.687 30.300 0.029 0.000 0.839 405 R HN 0.568 nan 8.270 nan 0.000 0.429 406 H N 0.418 119.474 119.070 -0.023 0.000 2.518 406 H HA -0.095 4.469 4.556 0.013 0.000 0.294 406 H C 1.597 176.906 175.328 -0.032 0.000 1.083 406 H CA 1.878 57.912 56.048 -0.023 0.000 1.264 406 H CB 0.186 29.936 29.762 -0.019 0.000 1.370 406 H HN 0.174 nan 8.280 nan 0.000 0.560 407 K N -0.328 120.086 120.400 0.024 0.000 2.305 407 K HA -0.004 4.324 4.320 0.013 0.000 0.199 407 K C 1.460 178.018 176.600 -0.070 0.000 1.047 407 K CA 1.087 57.363 56.287 -0.019 0.000 0.976 407 K CB 0.316 32.812 32.500 -0.007 0.000 0.765 407 K HN 0.458 nan 8.250 nan 0.000 0.474 408 R N 0.661 121.118 120.500 -0.071 0.000 2.565 408 R HA 0.127 4.475 4.340 0.013 0.000 0.347 408 R C -0.423 175.829 176.300 -0.081 0.000 1.010 408 R CA -0.427 55.630 56.100 -0.073 0.000 1.126 408 R CB 0.130 30.398 30.300 -0.053 0.000 1.331 408 R HN -0.056 nan 8.270 nan 0.000 0.552 409 R N 1.060 121.493 120.500 -0.112 0.000 2.490 409 R HA 0.396 4.744 4.340 0.013 0.000 0.278 409 R C -0.533 175.707 176.300 -0.101 0.000 1.069 409 R CA -0.537 55.504 56.100 -0.098 0.000 1.080 409 R CB 0.907 31.149 30.300 -0.096 0.000 1.030 409 R HN 0.015 nan 8.270 nan 0.000 0.491 410 I N 1.648 122.175 120.570 -0.072 0.000 2.353 410 I HA 0.149 4.327 4.170 0.013 0.000 0.293 410 I C 0.063 176.152 176.117 -0.048 0.000 0.992 410 I CA -0.464 60.799 61.300 -0.061 0.000 1.268 410 I CB 1.881 39.852 38.000 -0.049 0.000 1.387 410 I HN 0.660 nan 8.210 nan 0.000 0.478 411 S N 3.427 119.100 115.700 -0.044 0.000 2.537 411 S HA 0.668 5.146 4.470 0.013 0.000 0.301 411 S C 0.579 175.176 174.600 -0.004 0.000 1.092 411 S CA -0.249 57.936 58.200 -0.026 0.000 1.048 411 S CB 1.868 65.046 63.200 -0.036 0.000 1.053 411 S HN 0.723 nan 8.310 nan 0.000 0.501 412 A N 2.976 125.805 122.820 0.016 0.000 1.920 412 A HA 0.331 4.659 4.320 0.013 0.000 0.209 412 A C 0.689 178.297 177.584 0.039 0.000 1.229 412 A CA 0.291 52.351 52.037 0.038 0.000 0.671 412 A CB -0.784 18.249 19.000 0.054 0.000 0.886 412 A HN 0.842 nan 8.150 nan 0.000 0.461 413 L N -2.045 119.196 121.223 0.032 0.000 2.461 413 L HA 0.674 5.022 4.340 0.013 0.000 0.272 413 L C 0.405 177.290 176.870 0.025 0.000 1.197 413 L CA 0.913 55.772 54.840 0.031 0.000 0.836 413 L CB 0.499 42.574 42.059 0.026 0.000 1.105 413 L HN 0.507 nan 8.230 nan 0.000 0.477 414 G N 1.577 110.396 108.800 0.031 0.000 2.492 414 G HA2 0.108 4.076 3.960 0.013 0.000 0.065 414 G HA3 0.108 4.076 3.960 0.013 0.000 0.065 414 G C -1.917 173.008 174.900 0.042 0.000 0.956 414 G CA 0.242 45.361 45.100 0.033 0.000 1.223 414 G HN 0.456 nan 8.290 nan 0.000 0.511 415 P HA 0.036 nan 4.420 nan 0.000 0.217 415 P C 1.553 178.883 177.300 0.049 0.000 1.148 415 P CA 3.207 66.338 63.100 0.053 0.000 0.834 415 P CB -0.116 31.620 31.700 0.060 0.000 0.783 416 G N -2.631 106.201 108.800 0.053 0.000 2.258 416 G HA2 -0.235 3.733 3.960 0.013 0.000 0.233 416 G HA3 -0.235 3.733 3.960 0.013 0.000 0.233 416 G C 1.194 176.125 174.900 0.051 0.000 1.006 416 G CA 0.137 45.261 45.100 0.042 0.000 0.620 416 G HN 0.578 nan 8.290 nan 0.000 0.511 417 G N -0.205 108.645 108.800 0.084 0.000 2.985 417 G HA2 0.411 4.379 3.960 0.013 0.000 0.209 417 G HA3 0.411 4.379 3.960 0.013 0.000 0.209 417 G C 1.390 176.434 174.900 0.240 0.000 1.165 417 G CA 1.356 46.535 45.100 0.131 0.000 0.776 417 G HN 0.500 nan 8.290 nan 0.000 0.541 418 L N -0.435 120.905 121.223 0.196 0.000 2.362 418 L HA 0.375 4.723 4.340 0.013 0.000 0.204 418 L C 0.992 177.970 176.870 0.180 0.000 1.060 418 L CA 1.048 56.029 54.840 0.235 0.000 0.827 418 L CB 0.256 42.445 42.059 0.217 0.000 1.027 418 L HN 0.135 nan 8.230 nan 0.000 0.474 419 T N -0.893 113.735 114.554 0.124 0.000 3.087 419 T HA 0.505 4.863 4.350 0.013 0.000 0.351 419 T C -0.788 173.952 174.700 0.068 0.000 1.520 419 T CA -0.765 61.393 62.100 0.097 0.000 1.111 419 T CB 1.219 70.144 68.868 0.096 0.000 1.353 419 T HN 0.049 nan 8.240 nan 0.000 0.481 420 R N 1.593 122.126 120.500 0.056 0.000 3.067 420 R HA 0.617 4.965 4.340 0.013 0.000 0.222 420 R C 0.866 177.189 176.300 0.039 0.000 1.551 420 R CA -0.803 55.321 56.100 0.039 0.000 1.034 420 R CB 0.303 30.619 30.300 0.026 0.000 1.889 420 R HN 0.698 nan 8.270 nan 0.000 0.526 421 E N 0.653 120.871 120.200 0.030 0.000 2.045 421 E HA -0.018 4.340 4.350 0.013 0.000 0.190 421 E C 1.660 178.277 176.600 0.029 0.000 0.968 421 E CA 0.963 57.380 56.400 0.028 0.000 0.813 421 E CB 0.180 29.892 29.700 0.019 0.000 0.780 421 E HN 0.169 nan 8.360 nan 0.000 0.455 422 R N -0.100 120.414 120.500 0.023 0.000 2.339 422 R HA 0.231 4.579 4.340 0.013 0.000 0.199 422 R C -0.690 175.628 176.300 0.030 0.000 1.018 422 R CA 0.720 56.832 56.100 0.019 0.000 1.036 422 R CB 0.165 30.471 30.300 0.010 0.000 0.899 422 R HN 0.093 nan 8.270 nan 0.000 0.473 423 A N -1.059 121.788 122.820 0.045 0.000 2.323 423 A HA 0.631 4.959 4.320 0.013 0.000 0.305 423 A C 0.480 178.115 177.584 0.085 0.000 1.275 423 A CA -0.188 51.887 52.037 0.064 0.000 0.804 423 A CB 1.171 20.206 19.000 0.059 0.000 1.152 423 A HN 0.252 nan 8.150 nan 0.000 0.487 424 G N 0.150 109.020 108.800 0.115 0.000 3.601 424 G HA2 0.089 4.057 3.960 0.013 0.000 0.192 424 G HA3 0.089 4.057 3.960 0.013 0.000 0.192 424 G C 0.917 175.943 174.900 0.210 0.000 1.184 424 G CA 0.365 45.546 45.100 0.136 0.000 0.891 424 G HN 0.573 nan 8.290 nan 0.000 0.706 425 F N 1.645 121.615 119.950 0.032 0.000 2.115 425 F HA -0.210 4.325 4.527 0.014 0.000 0.300 425 F C 2.386 178.207 175.800 0.034 0.000 1.092 425 F CA 1.780 59.798 58.000 0.031 0.000 1.245 425 F CB 0.392 39.407 39.000 0.026 0.000 0.995 425 F HN 0.235 nan 8.300 nan 0.000 0.481 426 D N 0.001 120.464 120.400 0.105 0.000 2.097 426 D HA -0.148 4.500 4.640 0.013 0.000 0.197 426 D C 2.007 178.308 176.300 0.002 0.000 0.984 426 D CA 1.771 55.766 54.000 -0.008 0.000 0.826 426 D CB -0.317 40.496 40.800 0.022 0.000 0.973 426 D HN 0.176 nan 8.370 nan 0.000 0.460 427 V N 0.632 120.579 119.914 0.055 0.000 2.548 427 V HA -0.089 4.039 4.120 0.013 0.000 0.249 427 V C 2.590 178.745 176.094 0.102 0.000 1.055 427 V CA 1.342 63.686 62.300 0.073 0.000 1.065 427 V CB -0.616 31.259 31.823 0.086 0.000 0.681 427 V HN 0.115 nan 8.190 nan 0.000 0.462 428 R N 0.607 121.169 120.500 0.104 0.000 2.120 428 R HA -0.067 4.281 4.340 0.013 0.000 0.234 428 R C 0.510 176.870 176.300 0.100 0.000 1.123 428 R CA 0.850 57.019 56.100 0.116 0.000 0.975 428 R CB -0.381 30.012 30.300 0.156 0.000 0.866 428 R HN 0.584 nan 8.270 nan 0.000 0.446 429 D N 0.702 121.127 120.400 0.042 0.000 2.382 429 D HA -0.017 4.631 4.640 0.013 0.000 0.240 429 D C -0.228 176.126 176.300 0.089 0.000 1.146 429 D CA 0.018 54.029 54.000 0.018 0.000 0.897 429 D CB 1.284 42.046 40.800 -0.064 0.000 1.197 429 D HN -0.156 nan 8.370 nan 0.000 0.432 430 V N 2.713 122.679 119.914 0.087 0.000 2.387 430 V HA 0.021 4.149 4.120 0.013 0.000 0.260 430 V C -0.085 175.901 176.094 -0.181 0.000 1.054 430 V CA -0.197 62.204 62.300 0.169 0.000 0.967 430 V CB -0.091 31.849 31.823 0.196 0.000 1.036 430 V HN 0.483 nan 8.190 nan 0.000 0.481 431 H N 6.776 125.297 119.070 -0.915 0.000 2.679 431 H HA 0.383 4.947 4.556 0.013 0.000 0.369 431 H C 1.411 176.465 175.328 -0.458 0.000 1.178 431 H CA 0.008 55.649 56.048 -0.677 0.000 1.419 431 H CB 0.931 30.276 29.762 -0.695 0.000 1.458 431 H HN 0.661 nan 8.280 nan 0.000 0.605 432 R N 1.513 121.258 120.500 -1.258 0.000 2.112 432 R HA -0.137 4.211 4.340 0.013 0.000 0.242 432 R C 1.827 177.841 176.300 -0.475 0.000 1.137 432 R CA 2.099 57.740 56.100 -0.765 0.000 0.944 432 R CB -1.474 28.370 30.300 -0.761 0.000 0.857 432 R HN 0.715 nan 8.270 nan 0.000 0.435 433 T N 0.570 114.798 114.554 -0.543 0.000 3.025 433 T HA -0.094 4.264 4.350 0.013 0.000 0.270 433 T C 1.437 176.228 174.700 0.152 0.000 1.126 433 T CA 1.002 63.014 62.100 -0.146 0.000 1.105 433 T CB -0.415 68.299 68.868 -0.257 0.000 0.884 433 T HN 0.541 nan 8.240 nan 0.000 0.522 434 H N -0.749 118.355 119.070 0.057 0.000 2.560 434 H HA -0.005 4.559 4.556 0.013 0.000 0.283 434 H C 0.456 175.888 175.328 0.174 0.000 1.028 434 H CA -0.309 55.809 56.048 0.116 0.000 1.221 434 H CB -0.127 29.702 29.762 0.112 0.000 1.363 434 H HN 0.253 nan 8.280 nan 0.000 0.594 435 Y N 1.861 122.242 120.300 0.134 0.000 2.865 435 Y HA -0.063 4.495 4.550 0.013 0.000 0.338 435 Y C 1.502 177.448 175.900 0.077 0.000 1.269 435 Y CA 0.595 58.752 58.100 0.095 0.000 1.585 435 Y CB -0.365 38.137 38.460 0.070 0.000 1.224 435 Y HN 0.426 nan 8.280 nan 0.000 0.554 436 G N 5.098 113.870 108.800 -0.046 0.000 2.216 436 G HA2 -0.422 3.546 3.960 0.013 0.000 0.269 436 G HA3 -0.422 3.546 3.960 0.013 0.000 0.269 436 G C 1.347 176.230 174.900 -0.029 0.000 0.981 436 G CA 1.145 46.154 45.100 -0.152 0.000 0.658 436 G HN 0.659 nan 8.290 nan 0.000 0.539 437 R N -1.194 119.334 120.500 0.047 0.000 2.316 437 R HA 0.550 4.898 4.340 0.013 0.000 0.201 437 R C 0.098 176.417 176.300 0.031 0.000 0.888 437 R CA 0.463 56.595 56.100 0.054 0.000 1.041 437 R CB 0.711 31.066 30.300 0.092 0.000 1.115 437 R HN 0.410 nan 8.270 nan 0.000 0.559 438 I N -0.703 119.891 120.570 0.040 0.000 2.649 438 I HA 0.126 4.304 4.170 0.013 0.000 0.289 438 I C -0.855 175.301 176.117 0.064 0.000 1.222 438 I CA -0.730 60.551 61.300 -0.030 0.000 1.046 438 I CB 1.816 39.647 38.000 -0.282 0.000 1.272 438 I HN -0.032 nan 8.210 nan 0.000 0.425 439 C N 8.459 127.806 119.300 0.078 0.000 2.642 439 C HA 0.209 4.677 4.460 0.013 0.000 0.420 439 C C -0.717 174.353 174.990 0.133 0.000 1.349 439 C CA -0.533 58.575 59.018 0.149 0.000 1.821 439 C CB 0.353 28.155 27.740 0.104 0.000 2.637 439 C HN 0.692 nan 8.230 nan 0.000 0.605 440 P HA 0.036 nan 4.420 nan 0.000 0.251 440 P C 0.788 178.128 177.300 0.068 0.000 1.223 440 P CA 0.866 64.061 63.100 0.157 0.000 0.796 440 P CB 0.167 31.997 31.700 0.216 0.000 1.068 441 V N -0.531 119.389 119.914 0.010 0.000 3.085 441 V HA 0.067 4.195 4.120 0.013 0.000 0.245 441 V C 2.503 178.582 176.094 -0.026 0.000 1.114 441 V CA 0.723 62.991 62.300 -0.054 0.000 1.108 441 V CB -0.991 30.717 31.823 -0.192 0.000 0.798 441 V HN 0.027 nan 8.190 nan 0.000 0.471 442 E N 1.094 121.290 120.200 -0.006 0.000 2.267 442 E HA -0.139 4.219 4.350 0.013 0.000 0.197 442 E C 1.326 177.929 176.600 0.006 0.000 0.998 442 E CA 0.850 57.250 56.400 -0.001 0.000 0.830 442 E CB -0.236 29.468 29.700 0.006 0.000 0.751 442 E HN 0.552 nan 8.360 nan 0.000 0.491 443 T N 0.840 115.403 114.554 0.015 0.000 2.906 443 T HA 0.074 4.432 4.350 0.013 0.000 0.320 443 T C -2.493 172.220 174.700 0.021 0.000 1.088 443 T CA -1.468 60.645 62.100 0.022 0.000 1.120 443 T CB 0.629 69.520 68.868 0.038 0.000 1.000 443 T HN -0.079 nan 8.240 nan 0.000 0.550 444 P HA 0.325 nan 4.420 nan 0.000 0.284 444 P C -0.493 176.824 177.300 0.028 0.000 1.258 444 P CA -0.610 62.505 63.100 0.024 0.000 0.824 444 P CB 0.633 32.349 31.700 0.026 0.000 1.038 445 E N 1.303 121.517 120.200 0.024 0.000 2.366 445 E HA 0.462 4.820 4.350 0.013 0.000 0.266 445 E C 0.697 177.312 176.600 0.026 0.000 1.051 445 E CA 0.557 56.972 56.400 0.025 0.000 0.884 445 E CB 0.691 30.402 29.700 0.019 0.000 1.006 445 E HN 0.723 nan 8.360 nan 0.000 0.417 446 G N 1.183 110.000 108.800 0.028 0.000 2.582 446 G HA2 -0.038 3.930 3.960 0.013 0.000 0.222 446 G HA3 -0.038 3.930 3.960 0.013 0.000 0.222 446 G C -0.350 174.567 174.900 0.029 0.000 1.311 446 G CA -0.510 44.605 45.100 0.026 0.000 0.915 446 G HN 0.720 nan 8.290 nan 0.000 0.528 447 A N -0.468 122.366 122.820 0.024 0.000 2.466 447 A HA 0.552 4.880 4.320 0.013 0.000 0.238 447 A C 1.216 178.818 177.584 0.030 0.000 1.074 447 A CA 1.535 53.587 52.037 0.025 0.000 0.774 447 A CB -0.231 18.780 19.000 0.017 0.000 1.015 447 A HN 2.304 nan 8.150 nan 0.000 0.498 448 N N -1.855 116.866 118.700 0.036 0.000 2.952 448 N HA -0.139 4.609 4.740 0.013 0.000 0.245 448 N C -0.270 175.267 175.510 0.044 0.000 1.029 448 N CA 1.082 54.155 53.050 0.038 0.000 0.870 448 N CB -1.755 36.750 38.487 0.030 0.000 1.121 448 N HN 0.789 nan 8.380 nan 0.000 0.559 449 I N -0.241 120.361 120.570 0.054 0.000 2.720 449 I HA 0.374 4.552 4.170 0.013 0.000 0.287 449 I C 1.651 177.812 176.117 0.073 0.000 1.090 449 I CA 0.910 62.246 61.300 0.060 0.000 1.384 449 I CB 0.429 38.469 38.000 0.067 0.000 1.420 449 I HN 0.366 nan 8.210 nan 0.000 0.575 450 G N 5.588 114.430 108.800 0.070 0.000 2.230 450 G HA2 -0.313 3.655 3.960 0.013 0.000 0.270 450 G HA3 -0.313 3.655 3.960 0.013 0.000 0.270 450 G C 0.773 175.722 174.900 0.081 0.000 0.987 450 G CA 1.104 46.255 45.100 0.085 0.000 0.664 450 G HN 0.597 nan 8.290 nan 0.000 0.539 451 L N -1.384 119.878 121.223 0.066 0.000 2.357 451 L HA 0.394 4.742 4.340 0.013 0.000 0.211 451 L C 0.621 177.512 176.870 0.035 0.000 1.075 451 L CA 0.331 55.206 54.840 0.058 0.000 0.830 451 L CB 0.215 42.309 42.059 0.058 0.000 0.996 451 L HN 0.151 nan 8.230 nan 0.000 0.467 452 I N -0.244 120.342 120.570 0.025 0.000 2.410 452 I HA 0.308 4.486 4.170 0.013 0.000 0.286 452 I C -0.070 176.047 176.117 -0.001 0.000 1.009 452 I CA 0.047 61.350 61.300 0.006 0.000 1.111 452 I CB 1.826 39.828 38.000 0.004 0.000 1.262 452 I HN -0.198 nan 8.210 nan 0.000 0.443 453 T N 3.679 118.223 114.554 -0.018 0.000 2.923 453 T HA 0.584 4.942 4.350 0.013 0.000 0.311 453 T C -0.580 174.098 174.700 -0.036 0.000 1.183 453 T CA -0.496 61.591 62.100 -0.022 0.000 1.020 453 T CB 1.089 69.942 68.868 -0.025 0.000 1.165 453 T HN 0.363 nan 8.240 nan 0.000 0.482 454 S N 2.900 118.585 115.700 -0.026 0.000 2.580 454 S HA 0.523 5.001 4.470 0.013 0.000 0.274 454 S C 0.252 174.839 174.600 -0.020 0.000 1.329 454 S CA -0.821 57.363 58.200 -0.027 0.000 1.036 454 S CB 0.386 63.577 63.200 -0.015 0.000 0.919 454 S HN 0.827 nan 8.310 nan 0.000 0.515 455 L N 1.403 122.612 121.223 -0.024 0.000 2.456 455 L HA 0.812 5.160 4.340 0.013 0.000 0.257 455 L C 0.491 177.368 176.870 0.011 0.000 1.162 455 L CA -0.745 54.086 54.840 -0.014 0.000 0.808 455 L CB -0.741 41.304 42.059 -0.023 0.000 1.136 455 L HN 0.656 nan 8.230 nan 0.000 0.466 456 A N 1.393 124.231 122.820 0.030 0.000 2.346 456 A HA 0.573 4.901 4.320 0.013 0.000 0.255 456 A C 1.586 179.198 177.584 0.046 0.000 1.113 456 A CA 0.335 52.408 52.037 0.060 0.000 0.798 456 A CB -0.727 18.314 19.000 0.067 0.000 1.073 456 A HN 1.415 nan 8.150 nan 0.000 0.502 457 A N -0.607 122.263 122.820 0.082 0.000 1.837 457 A HA -0.122 4.206 4.320 0.013 0.000 0.216 457 A C 1.637 179.176 177.584 -0.075 0.000 1.210 457 A CA 2.219 54.278 52.037 0.037 0.000 0.632 457 A CB -1.168 17.965 19.000 0.222 0.000 0.843 457 A HN 0.881 nan 8.150 nan 0.000 0.448 458 Y N -0.048 120.243 120.300 -0.015 0.000 2.490 458 Y HA 0.483 5.041 4.550 0.013 0.000 0.281 458 Y C 1.501 177.444 175.900 0.071 0.000 1.174 458 Y CA -0.562 57.564 58.100 0.043 0.000 1.295 458 Y CB -0.843 37.645 38.460 0.046 0.000 1.062 458 Y HN 0.323 nan 8.280 nan 0.000 0.522 459 A N 2.567 125.471 122.820 0.140 0.000 2.540 459 A HA 0.233 4.561 4.320 0.013 0.000 0.264 459 A C 0.539 178.124 177.584 0.002 0.000 1.080 459 A CA -0.091 51.990 52.037 0.074 0.000 0.776 459 A CB -0.595 18.427 19.000 0.037 0.000 1.011 459 A HN 0.532 nan 8.150 nan 0.000 0.514 460 R N 1.829 122.303 120.500 -0.044 0.000 2.575 460 R HA 0.595 4.943 4.340 0.013 0.000 0.293 460 R C -1.423 174.801 176.300 -0.126 0.000 0.983 460 R CA -0.890 55.125 56.100 -0.142 0.000 0.887 460 R CB 1.120 31.248 30.300 -0.288 0.000 1.184 460 R HN 0.197 nan 8.270 nan 0.000 0.445 461 V N 4.182 124.034 119.914 -0.104 0.000 2.529 461 V HA -0.038 4.090 4.120 0.013 0.000 0.292 461 V C 0.862 176.884 176.094 -0.119 0.000 1.028 461 V CA 0.143 62.387 62.300 -0.094 0.000 1.074 461 V CB 0.239 32.009 31.823 -0.089 0.000 0.958 461 V HN 0.963 nan 8.190 nan 0.000 0.481 462 D N 4.222 124.554 120.400 -0.113 0.000 2.453 462 D HA 0.083 4.731 4.640 0.013 0.000 0.282 462 D C 0.946 177.159 176.300 -0.146 0.000 1.222 462 D CA -0.519 53.411 54.000 -0.116 0.000 1.079 462 D CB 0.790 41.550 40.800 -0.066 0.000 1.128 462 D HN 0.407 nan 8.370 nan 0.000 0.568 463 E N -1.046 119.077 120.200 -0.128 0.000 2.208 463 E HA -0.175 4.183 4.350 0.013 0.000 0.202 463 E C 0.989 177.474 176.600 -0.190 0.000 1.014 463 E CA 1.066 57.389 56.400 -0.129 0.000 0.819 463 E CB -0.094 29.550 29.700 -0.093 0.000 0.735 463 E HN 0.331 nan 8.360 nan 0.000 0.469 464 L N -1.287 119.731 121.223 -0.341 0.000 3.165 464 L HA 0.272 4.620 4.340 0.013 0.000 0.327 464 L C 0.592 177.032 176.870 -0.718 0.000 1.294 464 L CA 0.657 55.222 54.840 -0.459 0.000 0.838 464 L CB 0.949 42.748 42.059 -0.432 0.000 1.274 464 L HN 0.183 nan 8.230 nan 0.000 0.590 465 G N -0.074 108.433 108.800 -0.489 0.000 3.922 465 G HA2 -0.310 3.658 3.960 0.013 0.000 0.208 465 G HA3 -0.310 3.658 3.960 0.013 0.000 0.208 465 G C 0.141 174.893 174.900 -0.247 0.000 1.491 465 G CA -0.078 44.800 45.100 -0.370 0.000 1.017 465 G HN 0.104 nan 8.290 nan 0.000 0.603 466 F N 3.852 123.802 119.950 -0.000 0.000 2.224 466 F HA 0.198 4.733 4.527 0.013 0.000 0.374 466 F C 1.586 177.393 175.800 0.012 0.000 1.019 466 F CA -0.349 57.660 58.000 0.016 0.000 0.917 466 F CB -1.121 37.865 39.000 -0.023 0.000 0.799 466 F HN 0.270 nan 8.300 nan 0.000 0.506 467 I N 4.704 125.377 120.570 0.172 0.000 2.978 467 I HA -0.126 4.052 4.170 0.013 0.000 0.293 467 I C 0.972 177.162 176.117 0.122 0.000 1.218 467 I CA 0.733 62.093 61.300 0.101 0.000 1.393 467 I CB -0.112 37.937 38.000 0.082 0.000 1.394 467 I HN 0.531 nan 8.210 nan 0.000 0.541 468 R N 3.955 124.513 120.500 0.096 0.000 2.532 468 R HA 0.583 4.931 4.340 0.013 0.000 0.272 468 R C -0.035 176.348 176.300 0.139 0.000 1.032 468 R CA -0.522 55.652 56.100 0.123 0.000 1.089 468 R CB 1.696 32.080 30.300 0.140 0.000 1.098 468 R HN 0.514 nan 8.270 nan 0.000 0.526 469 T N 1.793 116.367 114.554 0.033 0.000 2.906 469 T HA 0.496 4.854 4.350 0.013 0.000 0.295 469 T C -2.681 171.706 174.700 -0.522 0.000 1.075 469 T CA -2.249 59.757 62.100 -0.157 0.000 1.005 469 T CB 1.801 70.439 68.868 -0.383 0.000 1.136 469 T HN 0.376 nan 8.240 nan 0.000 0.498 470 P HA 0.404 nan 4.420 nan 0.000 0.288 470 P C -1.538 175.198 177.300 -0.941 0.000 1.267 470 P CA -0.288 62.149 63.100 -1.104 0.000 0.815 470 P CB 0.920 31.969 31.700 -1.084 0.000 0.989 471 Y N 0.658 120.691 120.300 -0.445 0.000 2.705 471 Y HA 0.515 5.073 4.550 0.013 0.000 0.332 471 Y C 0.845 176.648 175.900 -0.163 0.000 1.157 471 Y CA -1.269 56.654 58.100 -0.296 0.000 1.091 471 Y CB 2.307 40.562 38.460 -0.341 0.000 1.301 471 Y HN 0.059 nan 8.280 nan 0.000 0.488 472 R N 1.552 122.178 120.500 0.209 0.000 2.422 472 R HA 0.335 4.683 4.340 0.013 0.000 0.307 472 R C -1.064 175.414 176.300 0.296 0.000 1.004 472 R CA -0.986 55.219 56.100 0.175 0.000 0.882 472 R CB 1.889 32.226 30.300 0.062 0.000 1.164 472 R HN 0.499 nan 8.270 nan 0.000 0.489 473 R N 1.931 122.641 120.500 0.351 0.000 2.538 473 R HA 0.079 4.427 4.340 0.013 0.000 0.282 473 R C -0.478 175.696 176.300 -0.210 0.000 1.009 473 R CA 0.135 56.129 56.100 -0.178 0.000 1.063 473 R CB 0.567 30.794 30.300 -0.122 0.000 0.945 473 R HN 0.414 nan 8.270 nan 0.000 0.414 474 V N 5.383 125.100 119.914 -0.327 0.000 2.588 474 V HA 0.659 4.787 4.120 0.013 0.000 0.304 474 V C -1.310 174.674 176.094 -0.184 0.000 1.042 474 V CA -0.692 61.503 62.300 -0.176 0.000 0.877 474 V CB 2.205 33.963 31.823 -0.110 0.000 0.996 474 V HN 0.543 nan 8.190 nan 0.000 0.425 475 V N 7.564 127.406 119.914 -0.121 0.000 2.378 475 V HA 0.888 5.016 4.120 0.013 0.000 0.288 475 V C 1.060 177.115 176.094 -0.065 0.000 1.016 475 V CA 0.599 62.840 62.300 -0.098 0.000 0.840 475 V CB 0.296 32.071 31.823 -0.081 0.000 0.994 475 V HN 1.775 nan 8.190 nan 0.000 0.431 476 G N 4.791 113.556 108.800 -0.058 0.000 2.547 476 G HA2 -0.134 3.834 3.960 0.013 0.000 0.271 476 G HA3 -0.134 3.834 3.960 0.013 0.000 0.271 476 G C 0.779 175.656 174.900 -0.039 0.000 1.209 476 G CA 0.097 45.172 45.100 -0.041 0.000 0.959 476 G HN 1.561 nan 8.290 nan 0.000 0.563 477 G N -0.678 108.105 108.800 -0.029 0.000 3.379 477 G HA2 0.506 4.474 3.960 0.013 0.000 0.253 477 G HA3 0.506 4.474 3.960 0.013 0.000 0.253 477 G C 0.026 174.912 174.900 -0.025 0.000 1.262 477 G CA 0.942 46.027 45.100 -0.025 0.000 0.959 477 G HN 1.192 nan 8.290 nan 0.000 0.524 478 V N 1.280 121.175 119.914 -0.031 0.000 2.417 478 V HA 0.410 4.538 4.120 0.013 0.000 0.291 478 V C 0.194 176.268 176.094 -0.035 0.000 1.024 478 V CA -1.002 61.281 62.300 -0.028 0.000 0.861 478 V CB 1.672 33.479 31.823 -0.027 0.000 0.985 478 V HN 0.192 nan 8.190 nan 0.000 0.436 479 V N 2.242 122.142 119.914 -0.025 0.000 2.481 479 V HA 0.776 4.904 4.120 0.013 0.000 0.286 479 V C 0.136 176.220 176.094 -0.018 0.000 1.042 479 V CA -0.082 62.204 62.300 -0.023 0.000 0.928 479 V CB 1.194 33.009 31.823 -0.013 0.000 0.986 479 V HN 0.827 nan 8.190 nan 0.000 0.462 480 T N 2.826 117.370 114.554 -0.017 0.000 2.950 480 T HA 0.464 4.822 4.350 0.013 0.000 0.288 480 T C -0.036 174.666 174.700 0.002 0.000 1.035 480 T CA -0.252 61.843 62.100 -0.008 0.000 1.028 480 T CB 1.644 70.506 68.868 -0.011 0.000 1.109 480 T HN 0.783 nan 8.240 nan 0.000 0.514 481 D N -0.288 120.114 120.400 0.004 0.000 2.360 481 D HA 0.040 4.688 4.640 0.013 0.000 0.210 481 D C 0.543 176.849 176.300 0.010 0.000 1.047 481 D CA 0.035 54.037 54.000 0.005 0.000 0.854 481 D CB 0.212 41.016 40.800 0.006 0.000 0.936 481 D HN 0.546 nan 8.370 nan 0.000 0.514 482 E N 1.823 122.033 120.200 0.018 0.000 1.985 482 E HA 0.086 4.444 4.350 0.013 0.000 0.268 482 E C -0.676 175.946 176.600 0.036 0.000 1.219 482 E CA -0.111 56.306 56.400 0.029 0.000 0.942 482 E CB 0.293 30.013 29.700 0.034 0.000 1.045 482 E HN -0.097 nan 8.360 nan 0.000 0.413 483 V N 4.445 124.363 119.914 0.007 0.000 2.567 483 V HA 0.261 4.389 4.120 0.013 0.000 0.289 483 V C 0.215 176.271 176.094 -0.064 0.000 1.049 483 V CA -0.635 61.636 62.300 -0.049 0.000 0.969 483 V CB 1.694 33.438 31.823 -0.131 0.000 0.995 483 V HN 0.342 nan 8.190 nan 0.000 0.471 484 V N 3.788 123.622 119.914 -0.134 0.000 2.656 484 V HA 0.387 4.515 4.120 0.013 0.000 0.307 484 V C -1.162 174.768 176.094 -0.273 0.000 1.051 484 V CA -0.823 61.401 62.300 -0.127 0.000 0.893 484 V CB 1.870 33.627 31.823 -0.110 0.000 0.999 484 V HN 0.729 nan 8.190 nan 0.000 0.426 485 Y N 4.045 124.286 120.300 -0.099 0.000 2.595 485 Y HA 0.472 5.030 4.550 0.013 0.000 0.347 485 Y C 0.495 176.332 175.900 -0.104 0.000 1.025 485 Y CA -0.017 58.012 58.100 -0.118 0.000 1.295 485 Y CB 1.123 39.539 38.460 -0.074 0.000 1.147 485 Y HN 0.579 nan 8.280 nan 0.000 0.515 486 M N 1.610 121.173 119.600 -0.061 0.000 2.241 486 M HA 0.195 4.683 4.480 0.013 0.000 0.335 486 M C 0.347 176.684 176.300 0.061 0.000 1.122 486 M CA 0.349 55.637 55.300 -0.020 0.000 1.164 486 M CB 0.755 33.322 32.600 -0.054 0.000 1.459 486 M HN 0.416 nan 8.290 nan 0.000 0.461 487 T N 2.631 117.233 114.554 0.081 0.000 2.856 487 T HA 0.327 4.685 4.350 0.013 0.000 0.292 487 T C 1.171 175.955 174.700 0.140 0.000 0.980 487 T CA 0.105 62.269 62.100 0.107 0.000 1.091 487 T CB 1.290 70.192 68.868 0.056 0.000 0.936 487 T HN 0.798 nan 8.240 nan 0.000 0.503 488 A N 3.378 126.311 122.820 0.190 0.000 1.944 488 A HA -0.247 4.081 4.320 0.013 0.000 0.222 488 A C 2.496 180.308 177.584 0.380 0.000 1.237 488 A CA 2.958 55.186 52.037 0.319 0.000 0.668 488 A CB -1.675 17.572 19.000 0.411 0.000 0.830 488 A HN 0.958 nan 8.150 nan 0.000 0.471 489 T N -1.974 112.669 114.554 0.149 0.000 2.746 489 T HA -0.158 4.200 4.350 0.013 0.000 0.267 489 T C 1.559 176.317 174.700 0.096 0.000 1.039 489 T CA 1.513 63.602 62.100 -0.019 0.000 1.142 489 T CB -0.580 68.227 68.868 -0.101 0.000 0.866 489 T HN 0.683 nan 8.240 nan 0.000 0.444 490 E N 1.286 121.569 120.200 0.138 0.000 2.268 490 E HA -0.142 4.216 4.350 0.013 0.000 0.195 490 E C 2.231 179.001 176.600 0.284 0.000 0.995 490 E CA 1.152 57.674 56.400 0.203 0.000 0.836 490 E CB -0.196 29.608 29.700 0.173 0.000 0.763 490 E HN 0.837 nan 8.360 nan 0.000 0.491 491 E N 1.661 121.996 120.200 0.225 0.000 2.204 491 E HA -0.209 4.149 4.350 0.013 0.000 0.194 491 E C 0.879 177.622 176.600 0.239 0.000 0.989 491 E CA 1.361 57.894 56.400 0.222 0.000 0.824 491 E CB 0.086 29.935 29.700 0.248 0.000 0.756 491 E HN 0.140 nan 8.360 nan 0.000 0.477 492 D N 0.344 120.871 120.400 0.211 0.000 2.178 492 D HA -0.098 4.550 4.640 0.013 0.000 0.202 492 D C 1.807 178.160 176.300 0.087 0.000 0.974 492 D CA 0.934 55.022 54.000 0.147 0.000 0.841 492 D CB -0.008 40.874 40.800 0.138 0.000 0.953 492 D HN 0.210 nan 8.370 nan 0.000 0.478 493 R N -0.554 119.985 120.500 0.065 0.000 2.159 493 R HA -0.068 4.280 4.340 0.013 0.000 0.237 493 R C 0.212 176.309 176.300 -0.339 0.000 1.131 493 R CA 0.761 56.756 56.100 -0.174 0.000 0.982 493 R CB -0.249 29.854 30.300 -0.330 0.000 0.868 493 R HN 0.276 nan 8.270 nan 0.000 0.453 494 Y N -0.473 119.867 120.300 0.068 0.000 2.618 494 Y HA 0.325 4.883 4.550 0.013 0.000 0.326 494 Y C 0.452 176.378 175.900 0.042 0.000 1.168 494 Y CA -1.183 56.972 58.100 0.092 0.000 1.269 494 Y CB 1.036 39.633 38.460 0.227 0.000 1.388 494 Y HN -0.322 nan 8.280 nan 0.000 0.528 495 T N 2.769 117.448 114.554 0.209 0.000 2.963 495 T HA 0.484 4.842 4.350 0.013 0.000 0.343 495 T C -0.608 174.140 174.700 0.081 0.000 1.146 495 T CA -0.358 61.796 62.100 0.091 0.000 1.016 495 T CB -0.511 68.385 68.868 0.046 0.000 1.046 495 T HN 0.185 nan 8.240 nan 0.000 0.496 496 I N 2.775 123.354 120.570 0.016 0.000 2.577 496 I HA 0.690 4.868 4.170 0.013 0.000 0.300 496 I C 0.538 176.632 176.117 -0.039 0.000 0.990 496 I CA -0.474 60.786 61.300 -0.065 0.000 1.283 496 I CB 1.125 38.927 38.000 -0.330 0.000 1.411 496 I HN 0.633 nan 8.210 nan 0.000 0.515 497 A N 4.207 127.009 122.820 -0.029 0.000 2.384 497 A HA 0.680 5.008 4.320 0.013 0.000 0.312 497 A C -0.529 177.060 177.584 0.007 0.000 1.113 497 A CA -0.719 51.312 52.037 -0.010 0.000 0.779 497 A CB 1.114 20.108 19.000 -0.010 0.000 1.307 497 A HN 0.581 nan 8.150 nan 0.000 0.436 498 Q N -0.173 119.632 119.800 0.008 0.000 2.443 498 Q HA 0.337 4.685 4.340 0.013 0.000 0.232 498 Q C 1.159 177.162 176.000 0.006 0.000 1.026 498 Q CA 0.521 56.333 55.803 0.015 0.000 0.924 498 Q CB 1.198 29.928 28.738 -0.013 0.000 1.256 498 Q HN 0.850 nan 8.270 nan 0.000 0.519 499 A N 2.239 125.063 122.820 0.007 0.000 2.123 499 A HA -0.076 4.252 4.320 0.013 0.000 0.214 499 A C 1.233 178.820 177.584 0.006 0.000 1.152 499 A CA 0.797 52.837 52.037 0.004 0.000 0.728 499 A CB -0.348 18.651 19.000 -0.000 0.000 0.814 499 A HN 0.838 nan 8.150 nan 0.000 0.464 500 N N 0.754 119.453 118.700 -0.002 0.000 2.520 500 N HA -0.056 4.692 4.740 0.013 0.000 0.185 500 N C 0.059 175.569 175.510 0.000 0.000 1.068 500 N CA 0.721 53.771 53.050 -0.000 0.000 0.911 500 N CB -0.332 38.141 38.487 -0.024 0.000 0.961 500 N HN 0.517 nan 8.380 nan 0.000 0.446 501 T N 1.112 115.664 114.554 -0.003 0.000 2.792 501 T HA 0.114 4.472 4.350 0.013 0.000 0.286 501 T C -2.486 172.216 174.700 0.002 0.000 0.970 501 T CA -1.500 60.598 62.100 -0.003 0.000 1.187 501 T CB 0.445 69.309 68.868 -0.006 0.000 0.915 501 T HN -0.070 nan 8.240 nan 0.000 0.529 502 P HA 0.294 nan 4.420 nan 0.000 0.262 502 P C -0.667 176.637 177.300 0.006 0.000 1.182 502 P CA -0.081 63.024 63.100 0.008 0.000 0.761 502 P CB 0.323 32.028 31.700 0.007 0.000 0.795 503 L N 2.839 124.067 121.223 0.009 0.000 2.371 503 L HA 0.315 4.663 4.340 0.013 0.000 0.262 503 L C 0.794 177.669 176.870 0.008 0.000 1.006 503 L CA -0.292 54.551 54.840 0.006 0.000 0.818 503 L CB 2.348 44.410 42.059 0.004 0.000 1.354 503 L HN 0.285 nan 8.230 nan 0.000 0.415 504 E N 1.348 121.552 120.200 0.006 0.000 2.499 504 E HA 0.339 4.697 4.350 0.013 0.000 0.207 504 E C 0.683 177.286 176.600 0.006 0.000 1.034 504 E CA 0.509 56.913 56.400 0.007 0.000 1.098 504 E CB 0.716 30.419 29.700 0.005 0.000 1.148 504 E HN 0.889 nan 8.360 nan 0.000 0.447 505 G N 1.670 110.474 108.800 0.006 0.000 2.882 505 G HA2 -0.249 3.719 3.960 0.013 0.000 0.198 505 G HA3 -0.249 3.719 3.960 0.013 0.000 0.198 505 G C 0.687 175.587 174.900 0.002 0.000 1.977 505 G CA -0.053 45.050 45.100 0.005 0.000 1.541 505 G HN 0.274 nan 8.290 nan 0.000 0.567 506 N N -0.205 118.494 118.700 -0.001 0.000 2.113 506 N HA 0.303 5.051 4.740 0.013 0.000 0.223 506 N C 0.398 175.902 175.510 -0.009 0.000 1.310 506 N CA 0.007 53.054 53.050 -0.006 0.000 0.896 506 N CB 1.185 39.668 38.487 -0.007 0.000 1.097 506 N HN 0.486 nan 8.380 nan 0.000 0.507 507 R N 1.142 121.639 120.500 -0.006 0.000 2.460 507 R HA 0.481 4.829 4.340 0.013 0.000 0.303 507 R C -0.411 175.884 176.300 -0.007 0.000 0.968 507 R CA -0.540 55.555 56.100 -0.008 0.000 0.889 507 R CB 0.753 31.049 30.300 -0.006 0.000 1.123 507 R HN -0.051 nan 8.270 nan 0.000 0.455 508 I N 2.649 123.213 120.570 -0.010 0.000 3.112 508 I HA 0.038 4.216 4.170 0.013 0.000 0.284 508 I C 1.003 177.117 176.117 -0.006 0.000 1.227 508 I CA 0.528 61.822 61.300 -0.009 0.000 1.369 508 I CB 0.905 38.897 38.000 -0.013 0.000 1.376 508 I HN 0.818 nan 8.210 nan 0.000 0.608 509 A N 2.467 125.284 122.820 -0.004 0.000 2.390 509 A HA 0.717 5.045 4.320 0.013 0.000 0.225 509 A C 0.599 178.181 177.584 -0.003 0.000 1.232 509 A CA 0.431 52.467 52.037 -0.002 0.000 0.964 509 A CB 0.223 19.224 19.000 0.002 0.000 1.064 509 A HN 0.760 nan 8.150 nan 0.000 0.525 510 A N -0.646 122.171 122.820 -0.005 0.000 2.423 510 A HA 0.658 4.986 4.320 0.013 0.000 0.304 510 A C 0.489 178.068 177.584 -0.009 0.000 1.104 510 A CA 0.145 52.179 52.037 -0.006 0.000 0.757 510 A CB 1.029 20.025 19.000 -0.006 0.000 1.313 510 A HN 0.184 nan 8.150 nan 0.000 0.423 511 E N 0.391 120.586 120.200 -0.009 0.000 2.008 511 E HA -0.025 4.333 4.350 0.013 0.000 0.191 511 E C 0.305 176.898 176.600 -0.012 0.000 0.986 511 E CA 0.517 56.911 56.400 -0.010 0.000 0.807 511 E CB 0.031 29.726 29.700 -0.009 0.000 0.766 511 E HN 0.545 nan 8.360 nan 0.000 0.450 512 R N 1.334 121.827 120.500 -0.012 0.000 2.429 512 R HA 0.190 4.538 4.340 0.013 0.000 0.302 512 R C -1.195 175.096 176.300 -0.015 0.000 1.268 512 R CA -0.166 55.926 56.100 -0.014 0.000 1.090 512 R CB 0.896 31.188 30.300 -0.014 0.000 1.102 512 R HN 0.030 nan 8.270 nan 0.000 0.522 513 V N 4.895 124.799 119.914 -0.016 0.000 2.384 513 V HA 0.128 4.256 4.120 0.013 0.000 0.287 513 V C 0.532 176.614 176.094 -0.020 0.000 1.020 513 V CA -0.869 61.421 62.300 -0.017 0.000 0.850 513 V CB 1.848 33.662 31.823 -0.015 0.000 0.987 513 V HN 0.459 nan 8.190 nan 0.000 0.436 514 V N 3.143 123.042 119.914 -0.024 0.000 2.901 514 V HA 0.744 4.872 4.120 0.013 0.000 0.307 514 V C 0.353 176.431 176.094 -0.026 0.000 1.084 514 V CA 0.316 62.598 62.300 -0.029 0.000 1.184 514 V CB 0.333 32.133 31.823 -0.038 0.000 0.941 514 V HN 1.304 nan 8.190 nan 0.000 0.493 515 A N 3.773 126.575 122.820 -0.029 0.000 2.601 515 A HA 0.874 5.202 4.320 0.013 0.000 0.291 515 A C -0.900 176.663 177.584 -0.034 0.000 1.075 515 A CA -1.129 50.894 52.037 -0.024 0.000 0.671 515 A CB 1.765 20.755 19.000 -0.017 0.000 1.277 515 A HN 0.803 nan 8.150 nan 0.000 0.417 516 R N 0.882 121.362 120.500 -0.033 0.000 2.435 516 R HA 0.414 4.762 4.340 0.013 0.000 0.308 516 R C 0.542 176.825 176.300 -0.028 0.000 0.975 516 R CA -0.681 55.389 56.100 -0.050 0.000 0.867 516 R CB 1.362 31.607 30.300 -0.092 0.000 1.171 516 R HN 0.927 nan 8.270 nan 0.000 0.470 517 R N 2.338 122.824 120.500 -0.024 0.000 2.126 517 R HA -0.072 4.276 4.340 0.013 0.000 0.224 517 R C 0.089 176.392 176.300 0.006 0.000 1.128 517 R CA 1.710 57.807 56.100 -0.005 0.000 0.895 517 R CB 0.215 30.508 30.300 -0.012 0.000 0.817 517 R HN 0.370 nan 8.270 nan 0.000 0.435 518 K N -0.886 119.510 120.400 -0.007 0.000 2.752 518 K HA 0.179 4.507 4.320 0.013 0.000 0.199 518 K C -0.721 175.859 176.600 -0.032 0.000 1.069 518 K CA 0.404 56.696 56.287 0.007 0.000 1.033 518 K CB 0.888 33.401 32.500 0.022 0.000 1.229 518 K HN 0.605 nan 8.250 nan 0.000 0.572 519 G N 1.997 110.758 108.800 -0.065 0.000 2.180 519 G HA2 -0.240 3.728 3.960 0.013 0.000 0.263 519 G HA3 -0.240 3.728 3.960 0.013 0.000 0.263 519 G C -0.332 174.497 174.900 -0.119 0.000 0.989 519 G CA 0.478 45.500 45.100 -0.130 0.000 0.692 519 G HN 0.557 nan 8.290 nan 0.000 0.526 520 E N 0.222 120.370 120.200 -0.087 0.000 2.199 520 E HA 0.370 4.728 4.350 0.013 0.000 0.265 520 E C -2.777 173.778 176.600 -0.075 0.000 0.882 520 E CA -2.009 54.346 56.400 -0.076 0.000 0.759 520 E CB 2.197 31.866 29.700 -0.053 0.000 1.148 520 E HN 0.034 nan 8.360 nan 0.000 0.412 521 P HA 0.102 nan 4.420 nan 0.000 0.276 521 P C -0.897 176.372 177.300 -0.052 0.000 1.253 521 P CA 0.018 63.075 63.100 -0.072 0.000 0.766 521 P CB 0.612 32.267 31.700 -0.074 0.000 0.845 522 V N 5.264 125.150 119.914 -0.046 0.000 2.808 522 V HA 0.288 4.416 4.120 0.013 0.000 0.308 522 V C -0.249 175.827 176.094 -0.031 0.000 1.099 522 V CA -0.763 61.516 62.300 -0.035 0.000 0.920 522 V CB 2.760 34.566 31.823 -0.030 0.000 1.014 522 V HN 0.436 nan 8.190 nan 0.000 0.425 523 I N 5.548 126.101 120.570 -0.027 0.000 2.281 523 I HA 0.410 4.588 4.170 0.013 0.000 0.293 523 I C -0.192 175.912 176.117 -0.021 0.000 1.085 523 I CA 0.548 61.834 61.300 -0.024 0.000 1.257 523 I CB 0.896 38.882 38.000 -0.023 0.000 1.430 523 I HN 0.385 nan 8.210 nan 0.000 0.489 524 V N 6.634 126.536 119.914 -0.020 0.000 3.211 524 V HA 0.481 4.609 4.120 0.013 0.000 0.319 524 V C 0.494 176.578 176.094 -0.017 0.000 1.096 524 V CA -0.616 61.673 62.300 -0.017 0.000 1.029 524 V CB 1.872 33.686 31.823 -0.016 0.000 1.137 524 V HN 0.836 nan 8.190 nan 0.000 0.453 525 S N 0.655 116.346 115.700 -0.016 0.000 2.651 525 S HA 0.439 4.917 4.470 0.013 0.000 0.291 525 S C -2.042 172.547 174.600 -0.018 0.000 1.141 525 S CA -1.336 56.855 58.200 -0.016 0.000 1.027 525 S CB 1.553 64.743 63.200 -0.016 0.000 1.043 525 S HN 0.477 nan 8.310 nan 0.000 0.530 526 P HA -0.073 nan 4.420 nan 0.000 0.220 526 P C 0.687 177.972 177.300 -0.025 0.000 1.144 526 P CA 1.206 64.294 63.100 -0.021 0.000 0.800 526 P CB 0.011 31.700 31.700 -0.018 0.000 0.772 527 E N -0.581 119.605 120.200 -0.023 0.000 2.216 527 E HA -0.102 4.255 4.350 0.013 0.000 0.192 527 E C 1.547 178.131 176.600 -0.027 0.000 0.988 527 E CA 0.706 57.091 56.400 -0.025 0.000 0.834 527 E CB -0.233 29.454 29.700 -0.021 0.000 0.772 527 E HN 0.433 nan 8.360 nan 0.000 0.479 528 E N 0.328 120.513 120.200 -0.024 0.000 2.474 528 E HA 0.031 4.389 4.350 0.013 0.000 0.194 528 E C -0.255 176.333 176.600 -0.020 0.000 1.041 528 E CA -0.084 56.303 56.400 -0.021 0.000 0.874 528 E CB 0.781 30.472 29.700 -0.016 0.000 0.914 528 E HN -0.018 nan 8.360 nan 0.000 0.498 529 V N 2.814 122.711 119.914 -0.028 0.000 2.390 529 V HA -0.047 4.081 4.120 0.013 0.000 0.260 529 V C 0.860 176.913 176.094 -0.068 0.000 1.043 529 V CA 0.757 63.038 62.300 -0.032 0.000 1.047 529 V CB 0.237 32.040 31.823 -0.033 0.000 1.066 529 V HN 0.202 nan 8.190 nan 0.000 0.481 530 E N 3.092 123.258 120.200 -0.056 0.000 2.190 530 E HA 0.186 4.544 4.350 0.013 0.000 0.191 530 E C -0.357 175.940 176.600 -0.504 0.000 0.978 530 E CA 0.785 57.073 56.400 -0.187 0.000 0.839 530 E CB 0.359 30.078 29.700 0.031 0.000 0.787 530 E HN 0.584 nan 8.360 nan 0.000 0.473 531 F N -0.325 119.593 119.950 -0.053 0.000 2.601 531 F HA 0.461 4.996 4.527 0.013 0.000 0.309 531 F C -0.507 175.207 175.800 -0.142 0.000 1.089 531 F CA -0.847 57.076 58.000 -0.128 0.000 0.940 531 F CB 1.856 40.712 39.000 -0.240 0.000 1.273 531 F HN -0.211 nan 8.300 nan 0.000 0.450 532 M N 1.528 121.205 119.600 0.129 0.000 2.591 532 M HA 0.433 4.921 4.480 0.013 0.000 0.306 532 M C -1.474 174.885 176.300 0.098 0.000 1.190 532 M CA -0.745 54.586 55.300 0.051 0.000 0.889 532 M CB 1.940 34.559 32.600 0.031 0.000 1.728 532 M HN 0.559 nan 8.290 nan 0.000 0.458 533 D N 1.423 121.875 120.400 0.087 0.000 2.414 533 D HA 0.116 4.764 4.640 0.013 0.000 0.242 533 D C 0.928 177.234 176.300 0.010 0.000 1.129 533 D CA -0.008 54.077 54.000 0.142 0.000 0.885 533 D CB 1.443 42.292 40.800 0.082 0.000 1.198 533 D HN 0.322 nan 8.370 nan 0.000 0.437 534 V N 1.101 120.950 119.914 -0.109 0.000 2.244 534 V HA -0.048 4.080 4.120 0.013 0.000 0.244 534 V C 0.994 176.970 176.094 -0.196 0.000 1.042 534 V CA 1.438 63.608 62.300 -0.217 0.000 1.006 534 V CB -0.202 31.349 31.823 -0.452 0.000 0.641 534 V HN 0.598 nan 8.190 nan 0.000 0.446 535 S N -2.436 113.112 115.700 -0.255 0.000 2.547 535 S HA 0.419 4.897 4.470 0.013 0.000 0.270 535 S C -2.554 171.976 174.600 -0.118 0.000 1.150 535 S CA -0.806 57.305 58.200 -0.148 0.000 0.850 535 S CB 1.834 64.957 63.200 -0.129 0.000 1.118 535 S HN 0.014 nan 8.310 nan 0.000 0.461 536 P HA -0.006 nan 4.420 nan 0.000 0.219 536 P C 0.890 178.147 177.300 -0.073 0.000 1.146 536 P CA 1.014 64.148 63.100 0.057 0.000 0.808 536 P CB 0.120 31.983 31.700 0.273 0.000 0.779 537 K N 0.536 120.918 120.400 -0.029 0.000 2.015 537 K HA -0.247 4.081 4.320 0.013 0.000 0.216 537 K C 2.216 178.810 176.600 -0.010 0.000 1.052 537 K CA 2.016 58.312 56.287 0.015 0.000 0.937 537 K CB -1.094 31.506 32.500 0.167 0.000 0.719 537 K HN 0.315 nan 8.250 nan 0.000 0.446 538 Q N 0.454 120.253 119.800 -0.002 0.000 2.344 538 Q HA -0.198 4.150 4.340 0.013 0.000 0.212 538 Q C 1.550 177.479 176.000 -0.119 0.000 0.991 538 Q CA 1.841 57.638 55.803 -0.010 0.000 0.897 538 Q CB -0.494 28.071 28.738 -0.288 0.000 0.915 538 Q HN 0.145 nan 8.270 nan 0.000 0.438 539 V N -0.057 119.703 119.914 -0.256 0.000 2.759 539 V HA -0.031 4.097 4.120 0.013 0.000 0.256 539 V C 1.072 177.104 176.094 -0.103 0.000 1.080 539 V CA 1.261 63.402 62.300 -0.266 0.000 1.101 539 V CB -0.690 30.888 31.823 -0.408 0.000 0.698 539 V HN 0.274 nan 8.190 nan 0.000 0.477 540 F N -1.788 118.220 119.950 0.097 0.000 2.746 540 F HA 0.561 5.096 4.527 0.014 0.000 0.378 540 F C 0.669 176.493 175.800 0.041 0.000 1.165 540 F CA -0.884 57.153 58.000 0.062 0.000 1.089 540 F CB 1.328 40.342 39.000 0.023 0.000 1.439 540 F HN -0.234 nan 8.300 nan 0.000 0.516 541 S N -0.499 115.360 115.700 0.266 0.000 2.693 541 S HA 0.334 4.812 4.470 0.013 0.000 0.276 541 S C 0.824 175.479 174.600 0.092 0.000 1.192 541 S CA -0.687 57.587 58.200 0.123 0.000 0.994 541 S CB 1.405 64.647 63.200 0.071 0.000 1.012 541 S HN 0.401 nan 8.310 nan 0.000 0.550 542 V N 2.851 122.786 119.914 0.036 0.000 2.233 542 V HA -0.146 3.982 4.120 0.013 0.000 0.247 542 V C 2.581 178.681 176.094 0.010 0.000 1.050 542 V CA 2.350 64.656 62.300 0.009 0.000 1.010 542 V CB -1.510 30.304 31.823 -0.016 0.000 0.637 542 V HN 0.916 nan 8.190 nan 0.000 0.444 543 N N 0.566 119.271 118.700 0.008 0.000 2.037 543 N HA -0.210 4.538 4.740 0.013 0.000 0.196 543 N C 1.818 177.321 175.510 -0.011 0.000 1.034 543 N CA 2.598 55.647 53.050 -0.000 0.000 0.861 543 N CB -0.584 37.904 38.487 0.001 0.000 1.039 543 N HN 0.541 nan 8.380 nan 0.000 0.427 544 T N 0.387 114.938 114.554 -0.005 0.000 2.812 544 T HA -0.030 4.328 4.350 0.013 0.000 0.264 544 T C 1.480 176.167 174.700 -0.021 0.000 1.042 544 T CA 0.617 62.688 62.100 -0.049 0.000 1.140 544 T CB -0.397 68.408 68.868 -0.105 0.000 0.870 544 T HN 0.299 nan 8.240 nan 0.000 0.445 545 N N 1.132 119.864 118.700 0.053 0.000 2.659 545 N HA -0.025 4.723 4.740 0.013 0.000 0.194 545 N C 1.128 176.627 175.510 -0.017 0.000 1.140 545 N CA 0.558 53.641 53.050 0.054 0.000 0.936 545 N CB -0.209 38.315 38.487 0.062 0.000 0.970 545 N HN 0.414 nan 8.380 nan 0.000 0.449 546 L N -0.084 121.113 121.223 -0.042 0.000 2.585 546 L HA 0.173 4.521 4.340 0.013 0.000 0.226 546 L C -0.200 176.605 176.870 -0.109 0.000 1.113 546 L CA -0.072 54.725 54.840 -0.072 0.000 0.876 546 L CB 0.293 42.321 42.059 -0.052 0.000 1.072 546 L HN -0.064 nan 8.230 nan 0.000 0.468 547 I N 0.270 120.769 120.570 -0.119 0.000 2.322 547 I HA 0.153 4.331 4.170 0.013 0.000 0.292 547 I C -1.364 174.666 176.117 -0.144 0.000 1.060 547 I CA -1.988 59.208 61.300 -0.174 0.000 1.309 547 I CB 0.350 38.248 38.000 -0.170 0.000 1.415 547 I HN -0.199 nan 8.210 nan 0.000 0.492 548 P HA -0.232 nan 4.420 nan 0.000 0.216 548 P C 0.279 177.403 177.300 -0.293 0.000 1.151 548 P CA 1.922 64.864 63.100 -0.263 0.000 0.953 548 P CB 0.041 31.614 31.700 -0.212 0.000 0.789 549 F N -2.209 117.874 119.950 0.221 0.000 2.664 549 F HA 0.221 4.756 4.527 0.013 0.000 0.322 549 F C 1.251 177.115 175.800 0.106 0.000 1.324 549 F CA -0.536 57.567 58.000 0.171 0.000 1.154 549 F CB -0.478 38.694 39.000 0.286 0.000 1.236 549 F HN -0.199 nan 8.300 nan 0.000 0.532 550 L N 1.561 122.857 121.223 0.120 0.000 2.127 550 L HA -0.210 4.138 4.340 0.013 0.000 0.211 550 L C 2.573 179.432 176.870 -0.018 0.000 1.089 550 L CA 2.008 56.853 54.840 0.008 0.000 0.757 550 L CB -0.609 41.358 42.059 -0.155 0.000 0.899 550 L HN 0.541 nan 8.230 nan 0.000 0.434 551 E N -1.801 118.358 120.200 -0.069 0.000 2.209 551 E HA -0.270 4.088 4.350 0.013 0.000 0.196 551 E C 0.833 177.349 176.600 -0.140 0.000 0.993 551 E CA 1.627 58.028 56.400 0.002 0.000 0.819 551 E CB -0.610 29.102 29.700 0.019 0.000 0.745 551 E HN 0.650 nan 8.360 nan 0.000 0.477 552 H N 0.422 119.586 119.070 0.158 0.000 2.520 552 H HA 0.298 4.862 4.556 0.013 0.000 0.284 552 H C -0.582 174.773 175.328 0.045 0.000 1.037 552 H CA -0.077 56.014 56.048 0.071 0.000 1.168 552 H CB 0.277 30.036 29.762 -0.005 0.000 1.497 552 H HN 0.125 nan 8.280 nan 0.000 0.547 553 D N 1.110 121.586 120.400 0.126 0.000 2.502 553 D HA 0.033 4.681 4.640 0.013 0.000 0.249 553 D C 0.002 176.340 176.300 0.063 0.000 1.092 553 D CA -0.538 53.518 54.000 0.094 0.000 0.839 553 D CB 1.747 42.626 40.800 0.133 0.000 1.264 553 D HN 0.133 nan 8.370 nan 0.000 0.511 554 D N 1.774 122.204 120.400 0.051 0.000 2.583 554 D HA -0.110 4.538 4.640 0.013 0.000 0.232 554 D C 0.986 177.299 176.300 0.021 0.000 1.128 554 D CA -0.044 53.978 54.000 0.038 0.000 0.859 554 D CB 1.116 41.933 40.800 0.029 0.000 1.169 554 D HN 0.410 nan 8.370 nan 0.000 0.481 555 A N 4.960 127.791 122.820 0.017 0.000 1.940 555 A HA -0.270 4.058 4.320 0.013 0.000 0.219 555 A C 2.119 179.695 177.584 -0.013 0.000 1.176 555 A CA 1.796 53.826 52.037 -0.012 0.000 0.631 555 A CB -0.658 18.347 19.000 0.008 0.000 0.814 555 A HN 0.898 nan 8.150 nan 0.000 0.446 556 N N -1.252 117.451 118.700 0.006 0.000 2.069 556 N HA -0.230 4.518 4.740 0.013 0.000 0.191 556 N C 2.007 177.520 175.510 0.005 0.000 1.031 556 N CA 1.506 54.562 53.050 0.009 0.000 0.852 556 N CB -0.072 38.425 38.487 0.016 0.000 1.018 556 N HN 0.345 nan 8.380 nan 0.000 0.423 557 R N 0.532 121.037 120.500 0.009 0.000 2.119 557 R HA 0.164 4.512 4.340 0.013 0.000 0.222 557 R C 2.118 178.424 176.300 0.011 0.000 1.088 557 R CA 1.000 57.108 56.100 0.015 0.000 0.984 557 R CB -0.482 29.834 30.300 0.027 0.000 0.884 557 R HN 0.298 nan 8.270 nan 0.000 0.447 558 A N 1.050 123.868 122.820 -0.003 0.000 1.892 558 A HA -0.226 4.102 4.320 0.013 0.000 0.218 558 A C 2.072 179.626 177.584 -0.051 0.000 1.188 558 A CA 1.741 53.758 52.037 -0.033 0.000 0.631 558 A CB -0.843 18.101 19.000 -0.095 0.000 0.822 558 A HN 0.431 nan 8.150 nan 0.000 0.447 559 L N -0.908 120.288 121.223 -0.046 0.000 1.971 559 L HA -0.272 4.076 4.340 0.013 0.000 0.215 559 L C 2.632 179.490 176.870 -0.020 0.000 1.072 559 L CA 2.344 57.163 54.840 -0.036 0.000 0.758 559 L CB -0.332 41.717 42.059 -0.018 0.000 0.889 559 L HN 0.390 nan 8.230 nan 0.000 0.433 560 M N -0.216 119.379 119.600 -0.008 0.000 2.108 560 M HA -0.220 4.268 4.480 0.013 0.000 0.257 560 M C 2.230 178.527 176.300 -0.005 0.000 1.071 560 M CA 1.954 57.252 55.300 -0.003 0.000 1.093 560 M CB -1.744 30.858 32.600 0.003 0.000 1.345 560 M HN 0.572 nan 8.290 nan 0.000 0.403 561 G N -0.593 108.203 108.800 -0.007 0.000 2.402 561 G HA2 -0.155 3.813 3.960 0.013 0.000 0.216 561 G HA3 -0.155 3.813 3.960 0.013 0.000 0.216 561 G C 1.691 176.574 174.900 -0.028 0.000 1.162 561 G CA 1.088 46.179 45.100 -0.016 0.000 0.777 561 G HN 0.467 nan 8.290 nan 0.000 0.539 562 S N 0.921 116.598 115.700 -0.037 0.000 2.343 562 S HA -0.128 4.350 4.470 0.013 0.000 0.219 562 S C 2.216 176.809 174.600 -0.012 0.000 1.033 562 S CA 1.019 59.199 58.200 -0.033 0.000 1.014 562 S CB -0.446 62.727 63.200 -0.045 0.000 0.915 562 S HN 0.446 nan 8.310 nan 0.000 0.435 563 N N 1.027 119.723 118.700 -0.008 0.000 2.149 563 N HA -0.091 4.657 4.740 0.013 0.000 0.188 563 N C 1.610 177.125 175.510 0.008 0.000 1.019 563 N CA 1.186 54.238 53.050 0.004 0.000 0.857 563 N CB -0.244 38.246 38.487 0.006 0.000 0.997 563 N HN 0.301 nan 8.380 nan 0.000 0.426 564 M N 1.272 120.874 119.600 0.003 0.000 2.213 564 M HA -0.120 4.368 4.480 0.013 0.000 0.263 564 M C 1.951 178.260 176.300 0.015 0.000 1.062 564 M CA 1.271 56.575 55.300 0.005 0.000 1.105 564 M CB -1.003 31.596 32.600 -0.001 0.000 1.385 564 M HN 0.181 nan 8.290 nan 0.000 0.417 565 Q N -0.665 119.145 119.800 0.016 0.000 2.170 565 Q HA -0.116 4.232 4.340 0.013 0.000 0.203 565 Q C 1.788 177.806 176.000 0.030 0.000 0.976 565 Q CA 1.744 57.565 55.803 0.030 0.000 0.858 565 Q CB -0.413 28.344 28.738 0.031 0.000 0.907 565 Q HN 0.516 nan 8.270 nan 0.000 0.433 566 T N 1.152 115.720 114.554 0.024 0.000 3.025 566 T HA -0.121 4.237 4.350 0.013 0.000 0.270 566 T C 1.160 175.877 174.700 0.028 0.000 1.126 566 T CA 1.006 63.122 62.100 0.025 0.000 1.105 566 T CB -0.026 68.858 68.868 0.028 0.000 0.884 566 T HN 0.318 nan 8.240 nan 0.000 0.522 567 Q N -0.030 119.793 119.800 0.039 0.000 2.179 567 Q HA 0.460 4.808 4.340 0.013 0.000 0.213 567 Q C 0.388 176.437 176.000 0.081 0.000 0.833 567 Q CA -0.487 55.355 55.803 0.065 0.000 0.990 567 Q CB 0.705 29.489 28.738 0.077 0.000 1.132 567 Q HN 0.405 nan 8.270 nan 0.000 0.493 568 A N 0.937 123.789 122.820 0.053 0.000 2.462 568 A HA 0.330 4.658 4.320 0.013 0.000 0.243 568 A C -0.259 177.364 177.584 0.064 0.000 1.076 568 A CA -0.144 51.919 52.037 0.044 0.000 0.773 568 A CB 0.704 19.723 19.000 0.031 0.000 1.010 568 A HN 0.172 nan 8.150 nan 0.000 0.493 569 V N 3.942 123.895 119.914 0.065 0.000 2.513 569 V HA 0.544 4.672 4.120 0.013 0.000 0.299 569 V C -2.504 173.620 176.094 0.051 0.000 1.035 569 V CA -2.338 60.021 62.300 0.099 0.000 0.889 569 V CB 1.698 33.616 31.823 0.158 0.000 0.988 569 V HN 0.785 nan 8.190 nan 0.000 0.440 570 P HA 0.138 nan 4.420 nan 0.000 0.257 570 P C -0.990 176.327 177.300 0.029 0.000 1.189 570 P CA 0.164 63.291 63.100 0.044 0.000 0.780 570 P CB 0.220 31.957 31.700 0.063 0.000 0.772 571 L N 4.906 126.114 121.223 -0.025 0.000 2.322 571 L HA 0.256 4.604 4.340 0.013 0.000 0.279 571 L C 1.276 178.132 176.870 -0.023 0.000 1.036 571 L CA -0.376 54.429 54.840 -0.059 0.000 0.807 571 L CB 0.956 42.898 42.059 -0.194 0.000 1.226 571 L HN 0.272 nan 8.230 nan 0.000 0.433 572 I N 1.021 121.594 120.570 0.006 0.000 2.087 572 I HA -0.185 3.993 4.170 0.013 0.000 0.240 572 I C 0.994 177.114 176.117 0.005 0.000 1.054 572 I CA 1.413 62.734 61.300 0.035 0.000 1.311 572 I CB -0.714 37.318 38.000 0.052 0.000 1.024 572 I HN 0.481 nan 8.210 nan 0.000 0.402 573 R N 2.016 122.495 120.500 -0.034 0.000 2.235 573 R HA 0.602 4.950 4.340 0.013 0.000 0.338 573 R C -0.619 175.618 176.300 -0.105 0.000 1.087 573 R CA -0.137 55.924 56.100 -0.065 0.000 0.948 573 R CB 0.617 30.861 30.300 -0.094 0.000 1.099 573 R HN 0.499 nan 8.270 nan 0.000 0.483 574 A N 3.788 126.576 122.820 -0.053 0.000 2.276 574 A HA 0.242 4.570 4.320 0.013 0.000 0.300 574 A C -0.322 177.262 177.584 0.001 0.000 1.235 574 A CA -0.391 51.629 52.037 -0.029 0.000 0.867 574 A CB 0.714 19.717 19.000 0.005 0.000 1.137 574 A HN 0.657 nan 8.150 nan 0.000 0.527 575 Q N 1.236 121.057 119.800 0.035 0.000 2.330 575 Q HA 0.568 4.916 4.340 0.013 0.000 0.269 575 Q C -0.162 175.952 176.000 0.189 0.000 1.022 575 Q CA -0.630 55.227 55.803 0.091 0.000 0.796 575 Q CB 2.210 30.981 28.738 0.055 0.000 1.271 575 Q HN 0.927 nan 8.270 nan 0.000 0.450 576 A N 4.057 126.938 122.820 0.101 0.000 2.386 576 A HA 0.443 4.771 4.320 0.013 0.000 0.248 576 A C -2.312 175.140 177.584 -0.220 0.000 1.082 576 A CA -1.145 50.864 52.037 -0.046 0.000 0.789 576 A CB -0.162 18.858 19.000 0.034 0.000 1.025 576 A HN 0.415 nan 8.150 nan 0.000 0.490 577 P HA 0.089 nan 4.420 nan 0.000 0.267 577 P C 1.190 178.365 177.300 -0.208 0.000 1.209 577 P CA 0.081 62.728 63.100 -0.755 0.000 0.763 577 P CB 0.517 31.548 31.700 -1.116 0.000 0.816 578 V N 2.645 122.571 119.914 0.021 0.000 2.636 578 V HA -0.142 3.986 4.120 0.013 0.000 0.258 578 V C 0.860 177.046 176.094 0.153 0.000 1.092 578 V CA 1.397 63.777 62.300 0.134 0.000 1.110 578 V CB -0.962 30.999 31.823 0.231 0.000 0.685 578 V HN 0.393 nan 8.190 nan 0.000 0.481 579 V N 1.998 121.942 119.914 0.050 0.000 2.524 579 V HA 0.645 4.773 4.120 0.013 0.000 0.297 579 V C -0.622 175.402 176.094 -0.116 0.000 1.035 579 V CA -0.793 61.536 62.300 0.048 0.000 0.867 579 V CB 1.765 33.641 31.823 0.089 0.000 1.004 579 V HN 0.434 nan 8.190 nan 0.000 0.426 580 M N 4.289 123.800 119.600 -0.148 0.000 2.762 580 M HA 0.489 4.977 4.480 0.013 0.000 0.306 580 M C 1.252 177.439 176.300 -0.189 0.000 1.223 580 M CA -0.373 54.790 55.300 -0.228 0.000 0.896 580 M CB 1.896 34.309 32.600 -0.311 0.000 1.684 580 M HN 0.656 nan 8.290 nan 0.000 0.491 581 T N -3.012 111.431 114.554 -0.185 0.000 2.939 581 T HA 0.299 4.657 4.350 0.013 0.000 0.254 581 T C 1.253 175.889 174.700 -0.108 0.000 1.041 581 T CA 0.899 62.916 62.100 -0.139 0.000 1.142 581 T CB -0.014 68.784 68.868 -0.117 0.000 0.874 581 T HN 1.062 nan 8.240 nan 0.000 0.452 582 G N 0.208 108.931 108.800 -0.128 0.000 2.370 582 G HA2 -0.041 3.927 3.960 0.013 0.000 0.174 582 G HA3 -0.041 3.927 3.960 0.013 0.000 0.174 582 G C 0.441 175.292 174.900 -0.081 0.000 1.002 582 G CA 0.016 45.053 45.100 -0.105 0.000 0.730 582 G HN 0.366 nan 8.290 nan 0.000 0.497 583 L N 1.556 122.729 121.223 -0.083 0.000 2.672 583 L HA 0.315 4.663 4.340 0.013 0.000 0.236 583 L C 2.413 179.256 176.870 -0.046 0.000 1.092 583 L CA 1.118 55.925 54.840 -0.055 0.000 0.887 583 L CB 0.096 42.129 42.059 -0.044 0.000 1.168 583 L HN 0.260 nan 8.230 nan 0.000 0.502 584 E N 0.367 120.517 120.200 -0.083 0.000 2.086 584 E HA -0.326 4.032 4.350 0.013 0.000 0.200 584 E C 1.644 178.280 176.600 0.060 0.000 1.012 584 E CA 1.571 57.940 56.400 -0.051 0.000 0.812 584 E CB -0.458 29.148 29.700 -0.158 0.000 0.743 584 E HN 0.508 nan 8.360 nan 0.000 0.453 585 E N 1.483 121.745 120.200 0.104 0.000 2.023 585 E HA -0.209 4.149 4.350 0.013 0.000 0.196 585 E C 2.156 178.826 176.600 0.116 0.000 1.003 585 E CA 1.021 57.560 56.400 0.231 0.000 0.809 585 E CB -0.054 29.784 29.700 0.229 0.000 0.755 585 E HN 0.097 nan 8.360 nan 0.000 0.449 586 R N 0.322 120.849 120.500 0.045 0.000 2.083 586 R HA -0.129 4.219 4.340 0.013 0.000 0.237 586 R C 2.599 178.907 176.300 0.014 0.000 1.137 586 R CA 1.278 57.381 56.100 0.005 0.000 0.951 586 R CB -1.226 29.058 30.300 -0.027 0.000 0.851 586 R HN 0.193 nan 8.270 nan 0.000 0.434 587 V N 1.437 121.360 119.914 0.015 0.000 2.252 587 V HA -0.262 3.866 4.120 0.013 0.000 0.249 587 V C 2.659 178.775 176.094 0.037 0.000 1.056 587 V CA 2.176 64.484 62.300 0.014 0.000 1.022 587 V CB -1.033 30.796 31.823 0.010 0.000 0.641 587 V HN 0.263 nan 8.190 nan 0.000 0.445 588 V N -0.716 119.239 119.914 0.068 0.000 2.490 588 V HA -0.276 3.852 4.120 0.013 0.000 0.250 588 V C 2.409 178.584 176.094 0.136 0.000 1.061 588 V CA 2.434 64.784 62.300 0.082 0.000 1.064 588 V CB -0.931 30.951 31.823 0.099 0.000 0.670 588 V HN 0.461 nan 8.190 nan 0.000 0.461 589 R N 0.279 120.879 120.500 0.166 0.000 2.056 589 R HA -0.110 4.238 4.340 0.013 0.000 0.227 589 R C 2.196 178.555 176.300 0.099 0.000 1.149 589 R CA 1.902 58.123 56.100 0.201 0.000 0.937 589 R CB -0.475 29.816 30.300 -0.015 0.000 0.835 589 R HN 0.500 nan 8.270 nan 0.000 0.430 590 D N -0.183 120.228 120.400 0.019 0.000 2.371 590 D HA -0.063 4.585 4.640 0.013 0.000 0.221 590 D C 1.451 177.747 176.300 -0.006 0.000 0.986 590 D CA 1.061 55.056 54.000 -0.009 0.000 0.899 590 D CB 0.297 41.073 40.800 -0.040 0.000 0.902 590 D HN 0.352 nan 8.370 nan 0.000 0.530 591 S N -0.193 115.513 115.700 0.009 0.000 2.478 591 S HA 0.027 4.505 4.470 0.013 0.000 0.222 591 S C 1.290 175.878 174.600 -0.019 0.000 1.008 591 S CA -0.146 58.048 58.200 -0.009 0.000 0.928 591 S CB 0.230 63.428 63.200 -0.003 0.000 0.781 591 S HN 0.320 nan 8.310 nan 0.000 0.518 592 L N -0.254 120.968 121.223 -0.001 0.000 3.610 592 L HA -0.205 4.143 4.340 0.013 0.000 0.425 592 L C 1.370 178.196 176.870 -0.074 0.000 1.254 592 L CA 0.242 55.062 54.840 -0.034 0.000 0.874 592 L CB -2.475 39.549 42.059 -0.059 0.000 1.932 592 L HN 0.489 nan 8.230 nan 0.000 0.790 593 A N -0.371 122.409 122.820 -0.066 0.000 1.862 593 A HA 0.556 4.884 4.320 0.013 0.000 0.211 593 A C 1.338 178.833 177.584 -0.149 0.000 1.220 593 A CA 1.206 53.191 52.037 -0.087 0.000 0.616 593 A CB 0.040 19.009 19.000 -0.052 0.000 0.878 593 A HN 0.696 nan 8.150 nan 0.000 0.453 594 A N -0.957 121.737 122.820 -0.210 0.000 2.271 594 A HA 0.595 4.923 4.320 0.013 0.000 0.288 594 A C -0.641 176.631 177.584 -0.520 0.000 1.094 594 A CA -0.275 51.541 52.037 -0.369 0.000 0.828 594 A CB 0.295 19.012 19.000 -0.472 0.000 1.091 594 A HN 0.538 nan 8.150 nan 0.000 0.493 595 L N 0.962 121.878 121.223 -0.510 0.000 2.305 595 L HA 0.551 4.899 4.340 0.013 0.000 0.284 595 L C -1.234 175.356 176.870 -0.468 0.000 1.013 595 L CA -0.045 54.533 54.840 -0.437 0.000 0.819 595 L CB 0.677 42.565 42.059 -0.284 0.000 1.227 595 L HN 0.633 nan 8.230 nan 0.000 0.417 596 Y N 2.381 122.631 120.300 -0.083 0.000 2.432 596 Y HA 0.705 5.263 4.550 0.013 0.000 0.322 596 Y C 0.550 176.463 175.900 0.022 0.000 1.246 596 Y CA -0.791 57.288 58.100 -0.035 0.000 1.268 596 Y CB 1.134 39.568 38.460 -0.043 0.000 1.276 596 Y HN 0.627 nan 8.280 nan 0.000 0.499 597 A N 1.174 124.139 122.820 0.242 0.000 2.276 597 A HA 0.319 4.647 4.320 0.013 0.000 0.300 597 A C 0.706 178.370 177.584 0.133 0.000 1.235 597 A CA -0.531 51.638 52.037 0.219 0.000 0.867 597 A CB 0.104 19.177 19.000 0.123 0.000 1.137 597 A HN 0.974 nan 8.150 nan 0.000 0.527 598 E N 1.516 121.840 120.200 0.207 0.000 2.007 598 E HA -0.133 4.225 4.350 0.013 0.000 0.194 598 E C 0.509 177.049 176.600 -0.099 0.000 0.999 598 E CA 1.492 57.963 56.400 0.117 0.000 0.811 598 E CB 0.090 29.983 29.700 0.323 0.000 0.762 598 E HN 0.817 nan 8.360 nan 0.000 0.450 599 E N 0.271 120.189 120.200 -0.470 0.000 2.299 599 E HA 0.130 4.488 4.350 0.013 0.000 0.260 599 E C -1.317 174.925 176.600 -0.596 0.000 0.944 599 E CA -0.703 55.377 56.400 -0.534 0.000 0.815 599 E CB 1.199 30.570 29.700 -0.548 0.000 1.252 599 E HN -0.140 nan 8.360 nan 0.000 0.418 600 D N 0.053 120.253 120.400 -0.334 0.000 2.378 600 D HA 0.458 5.106 4.640 0.013 0.000 0.238 600 D C 0.318 176.476 176.300 -0.237 0.000 1.180 600 D CA 1.209 55.077 54.000 -0.219 0.000 0.895 600 D CB 1.035 41.762 40.800 -0.121 0.000 1.192 600 D HN 0.596 nan 8.370 nan 0.000 0.438 601 G N -0.300 108.430 108.800 -0.117 0.000 2.452 601 G HA2 0.350 4.318 3.960 0.013 0.000 0.224 601 G HA3 0.350 4.318 3.960 0.013 0.000 0.224 601 G C -1.434 173.468 174.900 0.003 0.000 1.208 601 G CA -0.537 44.542 45.100 -0.033 0.000 0.946 601 G HN 0.510 nan 8.290 nan 0.000 0.481 602 E N -1.430 118.794 120.200 0.040 0.000 2.416 602 E HA 0.650 5.008 4.350 0.013 0.000 0.273 602 E C -0.924 175.694 176.600 0.029 0.000 0.935 602 E CA -0.747 55.668 56.400 0.025 0.000 0.784 602 E CB 2.481 32.190 29.700 0.014 0.000 1.301 602 E HN 0.532 nan 8.360 nan 0.000 0.454 603 V N 1.755 121.676 119.914 0.012 0.000 2.617 603 V HA 0.639 4.767 4.120 0.013 0.000 0.298 603 V C 0.514 176.602 176.094 -0.010 0.000 1.048 603 V CA 0.259 62.560 62.300 0.001 0.000 0.964 603 V CB 0.914 32.737 31.823 0.001 0.000 1.004 603 V HN 0.909 nan 8.190 nan 0.000 0.466 604 A N 3.736 126.542 122.820 -0.025 0.000 2.182 604 A HA 0.414 4.742 4.320 0.013 0.000 0.222 604 A C 0.719 178.288 177.584 -0.026 0.000 1.904 604 A CA 0.154 52.174 52.037 -0.028 0.000 0.808 604 A CB 0.208 19.182 19.000 -0.043 0.000 1.404 604 A HN 0.705 nan 8.150 nan 0.000 0.587 605 K N 0.712 121.092 120.400 -0.034 0.000 2.221 605 K HA 0.511 4.839 4.320 0.013 0.000 0.258 605 K C -1.135 175.451 176.600 -0.024 0.000 0.944 605 K CA -0.469 55.802 56.287 -0.027 0.000 0.823 605 K CB 2.257 34.739 32.500 -0.030 0.000 1.113 605 K HN 0.268 nan 8.250 nan 0.000 0.431 606 V N -0.823 119.081 119.914 -0.016 0.000 2.446 606 V HA 0.189 4.317 4.120 0.013 0.000 0.257 606 V C -0.208 175.878 176.094 -0.013 0.000 1.036 606 V CA -0.899 61.393 62.300 -0.013 0.000 1.196 606 V CB -0.102 31.715 31.823 -0.011 0.000 1.446 606 V HN 0.645 nan 8.190 nan 0.000 0.558 607 D N 2.569 122.961 120.400 -0.013 0.000 2.369 607 D HA 0.455 5.103 4.640 0.013 0.000 0.241 607 D C 1.482 177.773 176.300 -0.016 0.000 1.271 607 D CA 1.233 55.226 54.000 -0.012 0.000 0.942 607 D CB 1.373 42.167 40.800 -0.010 0.000 1.129 607 D HN 0.423 nan 8.370 nan 0.000 0.476 608 G N -0.110 108.680 108.800 -0.016 0.000 3.141 608 G HA2 -0.041 3.927 3.960 0.013 0.000 0.218 608 G HA3 -0.041 3.927 3.960 0.013 0.000 0.218 608 G C 0.737 175.613 174.900 -0.040 0.000 1.170 608 G CA -0.035 45.048 45.100 -0.029 0.000 0.769 608 G HN 0.525 nan 8.290 nan 0.000 0.546 609 N N -0.731 117.954 118.700 -0.024 0.000 2.211 609 N HA 0.132 4.880 4.740 0.013 0.000 0.216 609 N C 0.250 175.757 175.510 -0.005 0.000 1.240 609 N CA -0.198 52.842 53.050 -0.017 0.000 0.895 609 N CB 1.096 39.581 38.487 -0.002 0.000 1.102 609 N HN 0.333 nan 8.380 nan 0.000 0.498 610 R N 0.290 120.788 120.500 -0.003 0.000 2.710 610 R HA 0.566 4.914 4.340 0.013 0.000 0.270 610 R C -1.718 174.586 176.300 0.007 0.000 1.021 610 R CA -0.698 55.408 56.100 0.010 0.000 0.889 610 R CB 1.156 31.461 30.300 0.008 0.000 1.243 610 R HN -0.134 nan 8.270 nan 0.000 0.464 611 I N 1.559 122.143 120.570 0.023 0.000 2.497 611 I HA 0.325 4.503 4.170 0.013 0.000 0.284 611 I C -0.894 175.183 176.117 -0.067 0.000 1.060 611 I CA -1.250 60.052 61.300 0.004 0.000 1.071 611 I CB 2.218 40.248 38.000 0.050 0.000 1.216 611 I HN 0.288 nan 8.210 nan 0.000 0.442 612 V N 6.529 126.388 119.914 -0.092 0.000 2.370 612 V HA 0.511 4.639 4.120 0.013 0.000 0.283 612 V C 0.186 176.192 176.094 -0.146 0.000 1.023 612 V CA -0.655 61.549 62.300 -0.159 0.000 0.857 612 V CB 1.702 33.459 31.823 -0.110 0.000 0.985 612 V HN 0.551 nan 8.190 nan 0.000 0.443 613 V N 2.693 122.477 119.914 -0.216 0.000 2.864 613 V HA 0.742 4.870 4.120 0.013 0.000 0.314 613 V C -0.327 175.711 176.094 -0.093 0.000 1.073 613 V CA -1.149 61.090 62.300 -0.102 0.000 0.956 613 V CB 1.900 33.719 31.823 -0.008 0.000 1.023 613 V HN 0.944 nan 8.190 nan 0.000 0.435 614 R N 2.992 123.496 120.500 0.007 0.000 2.295 614 R HA 0.474 4.822 4.340 0.013 0.000 0.324 614 R C -1.395 175.022 176.300 0.196 0.000 0.968 614 R CA -0.567 55.549 56.100 0.028 0.000 0.837 614 R CB 0.936 31.240 30.300 0.006 0.000 1.133 614 R HN 0.906 nan 8.270 nan 0.000 0.450 615 Y N 2.199 122.472 120.300 -0.045 0.000 2.336 615 Y HA 0.031 4.589 4.550 0.013 0.000 0.331 615 Y C 1.308 177.196 175.900 -0.019 0.000 1.211 615 Y CA -0.875 57.210 58.100 -0.025 0.000 1.346 615 Y CB 1.330 39.780 38.460 -0.016 0.000 1.271 615 Y HN 0.611 nan 8.280 nan 0.000 0.538 616 E N 1.500 121.765 120.200 0.108 0.000 2.478 616 E HA -0.149 4.209 4.350 0.013 0.000 0.198 616 E C 1.030 177.664 176.600 0.057 0.000 1.046 616 E CA 1.006 57.438 56.400 0.053 0.000 0.870 616 E CB -0.063 29.644 29.700 0.011 0.000 0.818 616 E HN 0.786 nan 8.360 nan 0.000 0.527 617 D N -0.540 119.917 120.400 0.094 0.000 2.183 617 D HA -0.028 4.620 4.640 0.013 0.000 0.205 617 D C 1.286 177.626 176.300 0.066 0.000 0.962 617 D CA 1.185 55.232 54.000 0.078 0.000 0.849 617 D CB 0.072 40.934 40.800 0.104 0.000 0.978 617 D HN 0.100 nan 8.370 nan 0.000 0.488 618 G N -0.820 108.026 108.800 0.077 0.000 2.332 618 G HA2 -0.049 3.918 3.960 0.013 0.000 0.216 618 G HA3 -0.049 3.918 3.960 0.013 0.000 0.216 618 G C -0.422 174.483 174.900 0.008 0.000 1.041 618 G CA -0.700 44.421 45.100 0.035 0.000 0.836 618 G HN 0.239 nan 8.290 nan 0.000 0.530 619 R N -0.140 120.358 120.500 -0.004 0.000 2.564 619 R HA 0.590 4.938 4.340 0.013 0.000 0.284 619 R C -0.880 175.289 176.300 -0.218 0.000 1.031 619 R CA -0.894 55.140 56.100 -0.110 0.000 0.904 619 R CB 1.950 32.162 30.300 -0.147 0.000 1.199 619 R HN 0.345 nan 8.270 nan 0.000 0.443 620 L N 0.292 121.391 121.223 -0.206 0.000 2.319 620 L HA 0.695 5.043 4.340 0.013 0.000 0.281 620 L C -0.509 176.192 176.870 -0.282 0.000 1.005 620 L CA -0.860 53.840 54.840 -0.233 0.000 0.828 620 L CB 1.642 43.621 42.059 -0.132 0.000 1.227 620 L HN 0.153 nan 8.230 nan 0.000 0.415 621 V N 1.028 120.689 119.914 -0.422 0.000 2.769 621 V HA 0.552 4.680 4.120 0.013 0.000 0.312 621 V C -0.151 175.693 176.094 -0.417 0.000 1.058 621 V CA -0.634 61.424 62.300 -0.404 0.000 0.952 621 V CB 1.756 33.273 31.823 -0.509 0.000 1.019 621 V HN 0.884 nan 8.190 nan 0.000 0.445 622 E N 1.878 121.935 120.200 -0.239 0.000 2.113 622 E HA 0.365 4.723 4.350 0.013 0.000 0.273 622 E C -1.629 174.973 176.600 0.003 0.000 0.924 622 E CA -0.516 55.796 56.400 -0.147 0.000 0.764 622 E CB 0.907 30.568 29.700 -0.064 0.000 1.104 622 E HN 0.748 nan 8.360 nan 0.000 0.406 623 Y N 5.548 125.827 120.300 -0.036 0.000 2.504 623 Y HA 0.290 4.848 4.550 0.013 0.000 0.339 623 Y C -2.009 173.867 175.900 -0.039 0.000 0.974 623 Y CA -2.775 55.303 58.100 -0.036 0.000 1.232 623 Y CB 1.172 39.613 38.460 -0.031 0.000 1.108 623 Y HN 0.441 nan 8.280 nan 0.000 0.509 624 P HA 0.120 nan 4.420 nan 0.000 0.272 624 P C -0.908 176.398 177.300 0.011 0.000 1.230 624 P CA -0.090 63.039 63.100 0.048 0.000 0.788 624 P CB 0.876 32.598 31.700 0.037 0.000 0.949 625 L N 2.118 123.336 121.223 -0.009 0.000 2.343 625 L HA 0.456 4.804 4.340 0.013 0.000 0.278 625 L C 0.598 177.437 176.870 -0.050 0.000 0.996 625 L CA -0.851 53.956 54.840 -0.054 0.000 0.831 625 L CB 1.242 43.264 42.059 -0.063 0.000 1.232 625 L HN 0.209 nan 8.230 nan 0.000 0.413 626 R N 3.369 123.790 120.500 -0.131 0.000 2.638 626 R HA -0.072 4.276 4.340 0.013 0.000 0.351 626 R C 1.021 177.363 176.300 0.070 0.000 0.871 626 R CA 0.064 56.071 56.100 -0.156 0.000 1.091 626 R CB 0.276 30.213 30.300 -0.605 0.000 0.900 626 R HN 0.701 nan 8.270 nan 0.000 0.405 627 R N 2.376 123.003 120.500 0.212 0.000 2.109 627 R HA -0.101 4.247 4.340 0.013 0.000 0.227 627 R C 0.097 176.259 176.300 -0.230 0.000 1.132 627 R CA 1.152 57.218 56.100 -0.057 0.000 0.907 627 R CB -0.114 30.189 30.300 0.006 0.000 0.825 627 R HN 0.297 nan 8.270 nan 0.000 0.432 628 F N 0.251 120.307 119.950 0.177 0.000 3.090 628 F HA 0.362 4.898 4.527 0.014 0.000 0.381 628 F C -1.263 174.589 175.800 0.086 0.000 1.231 628 F CA -1.197 56.876 58.000 0.120 0.000 1.177 628 F CB 1.205 40.230 39.000 0.042 0.000 1.598 628 F HN -0.027 nan 8.300 nan 0.000 0.589 629 Y N 0.686 121.097 120.300 0.186 0.000 2.387 629 Y HA 0.585 5.143 4.550 0.013 0.000 0.330 629 Y C 0.565 176.539 175.900 0.123 0.000 1.133 629 Y CA -1.142 57.036 58.100 0.131 0.000 1.152 629 Y CB 1.062 39.561 38.460 0.065 0.000 1.215 629 Y HN 0.317 nan 8.280 nan 0.000 0.466 630 R N 1.872 122.521 120.500 0.249 0.000 2.242 630 R HA 0.272 4.620 4.340 0.013 0.000 0.334 630 R C -0.132 176.216 176.300 0.079 0.000 1.071 630 R CA -0.247 55.935 56.100 0.137 0.000 0.922 630 R CB -0.068 30.311 30.300 0.132 0.000 1.023 630 R HN 0.712 nan 8.270 nan 0.000 0.458 631 S N 3.062 118.770 115.700 0.014 0.000 2.608 631 S HA 0.066 4.544 4.470 0.013 0.000 0.261 631 S C 0.915 175.466 174.600 -0.083 0.000 1.314 631 S CA -0.378 57.804 58.200 -0.031 0.000 0.992 631 S CB 0.917 64.087 63.200 -0.050 0.000 0.935 631 S HN 0.718 nan 8.310 nan 0.000 0.564 632 N N 0.829 119.458 118.700 -0.119 0.000 2.149 632 N HA -0.072 4.676 4.740 0.013 0.000 0.188 632 N C 1.324 176.771 175.510 -0.106 0.000 1.019 632 N CA 1.286 54.232 53.050 -0.173 0.000 0.857 632 N CB -0.311 38.020 38.487 -0.260 0.000 0.997 632 N HN 0.572 nan 8.380 nan 0.000 0.426 633 Q N -0.738 118.985 119.800 -0.128 0.000 2.360 633 Q HA 0.290 4.638 4.340 0.013 0.000 0.202 633 Q C 0.423 176.346 176.000 -0.128 0.000 0.915 633 Q CA 0.256 55.956 55.803 -0.171 0.000 0.943 633 Q CB -0.005 28.526 28.738 -0.345 0.000 1.064 633 Q HN 0.342 nan 8.270 nan 0.000 0.511 634 G N 1.687 110.394 108.800 -0.155 0.000 2.291 634 G HA2 -0.212 3.756 3.960 0.013 0.000 0.271 634 G HA3 -0.212 3.756 3.960 0.013 0.000 0.271 634 G C -0.116 174.442 174.900 -0.570 0.000 1.099 634 G CA 0.423 45.348 45.100 -0.291 0.000 0.919 634 G HN 0.289 nan 8.290 nan 0.000 0.496 635 T N -1.549 112.852 114.554 -0.255 0.000 2.907 635 T HA 0.846 5.204 4.350 0.013 0.000 0.292 635 T C 0.434 175.121 174.700 -0.022 0.000 1.043 635 T CA -0.047 61.971 62.100 -0.137 0.000 1.003 635 T CB 2.206 71.080 68.868 0.011 0.000 1.084 635 T HN 1.712 nan 8.240 nan 0.000 0.483 636 A N 2.184 125.032 122.820 0.047 0.000 2.498 636 A HA 0.592 4.920 4.320 0.013 0.000 0.239 636 A C -0.052 177.621 177.584 0.148 0.000 1.068 636 A CA -0.404 51.718 52.037 0.140 0.000 0.766 636 A CB -0.452 18.659 19.000 0.184 0.000 1.003 636 A HN 0.842 nan 8.150 nan 0.000 0.497 637 L N 4.122 125.462 121.223 0.194 0.000 2.481 637 L HA 0.318 4.666 4.340 0.013 0.000 0.255 637 L C -0.981 175.945 176.870 0.093 0.000 1.192 637 L CA -0.559 54.348 54.840 0.112 0.000 0.924 637 L CB 0.745 42.850 42.059 0.077 0.000 1.179 637 L HN 0.804 nan 8.230 nan 0.000 0.491 638 D N 0.894 121.318 120.400 0.040 0.000 2.269 638 D HA 0.344 4.992 4.640 0.013 0.000 0.244 638 D C -0.727 175.500 176.300 -0.122 0.000 0.992 638 D CA -0.706 53.223 54.000 -0.119 0.000 0.894 638 D CB 2.063 42.638 40.800 -0.375 0.000 1.248 638 D HN 0.284 nan 8.370 nan 0.000 0.468 639 Q N 0.908 120.614 119.800 -0.157 0.000 2.368 639 Q HA 0.382 4.730 4.340 0.013 0.000 0.263 639 Q C -0.706 175.214 176.000 -0.132 0.000 1.009 639 Q CA -0.581 55.142 55.803 -0.133 0.000 0.818 639 Q CB 1.923 30.582 28.738 -0.133 0.000 1.239 639 Q HN 0.162 nan 8.270 nan 0.000 0.464 640 R N 3.084 123.519 120.500 -0.108 0.000 2.215 640 R HA 0.315 4.663 4.340 0.013 0.000 0.337 640 R C -2.508 173.749 176.300 -0.071 0.000 1.010 640 R CA -1.933 54.114 56.100 -0.087 0.000 0.871 640 R CB 0.174 30.436 30.300 -0.063 0.000 1.134 640 R HN 0.312 nan 8.270 nan 0.000 0.477 641 P HA -0.096 nan 4.420 nan 0.000 0.261 641 P C 0.151 177.426 177.300 -0.043 0.000 1.173 641 P CA 0.101 63.173 63.100 -0.046 0.000 0.760 641 P CB 0.662 32.342 31.700 -0.032 0.000 0.783 642 R N 2.664 123.137 120.500 -0.045 0.000 2.472 642 R HA 0.193 4.541 4.340 0.013 0.000 0.279 642 R C -0.683 175.598 176.300 -0.032 0.000 0.953 642 R CA 0.003 56.077 56.100 -0.043 0.000 1.088 642 R CB 0.176 30.440 30.300 -0.060 0.000 1.197 642 R HN 0.258 nan 8.270 nan 0.000 0.536 643 V N 1.788 121.689 119.914 -0.023 0.000 2.581 643 V HA 0.381 4.509 4.120 0.013 0.000 0.303 643 V C 0.567 176.654 176.094 -0.011 0.000 1.041 643 V CA -1.152 61.140 62.300 -0.014 0.000 0.907 643 V CB 1.906 33.727 31.823 -0.004 0.000 0.994 643 V HN -0.012 nan 8.190 nan 0.000 0.442 644 V N 2.275 122.183 119.914 -0.010 0.000 2.997 644 V HA 0.641 4.769 4.120 0.013 0.000 0.311 644 V C 0.256 176.346 176.094 -0.007 0.000 1.066 644 V CA -0.778 61.517 62.300 -0.009 0.000 1.039 644 V CB 1.458 33.276 31.823 -0.008 0.000 1.081 644 V HN 0.634 nan 8.190 nan 0.000 0.467 645 V N 1.471 121.380 119.914 -0.007 0.000 2.617 645 V HA 0.484 4.612 4.120 0.013 0.000 0.304 645 V C 1.314 177.404 176.094 -0.006 0.000 1.040 645 V CA 0.395 62.690 62.300 -0.008 0.000 1.149 645 V CB -0.645 31.173 31.823 -0.008 0.000 0.914 645 V HN 2.157 nan 8.190 nan 0.000 0.487 646 G N 3.065 111.861 108.800 -0.006 0.000 2.438 646 G HA2 -0.213 3.755 3.960 0.013 0.000 0.272 646 G HA3 -0.213 3.755 3.960 0.013 0.000 0.272 646 G C -0.433 174.464 174.900 -0.004 0.000 0.991 646 G CA 0.523 45.620 45.100 -0.004 0.000 1.348 646 G HN 1.166 nan 8.290 nan 0.000 0.483 647 Q N 0.162 119.961 119.800 -0.002 0.000 2.359 647 Q HA 0.508 4.856 4.340 0.013 0.000 0.274 647 Q C 0.149 176.148 176.000 -0.002 0.000 1.074 647 Q CA -1.150 54.651 55.803 -0.003 0.000 0.810 647 Q CB 1.486 30.222 28.738 -0.004 0.000 1.342 647 Q HN 0.553 nan 8.270 nan 0.000 0.427 648 R N 2.023 122.520 120.500 -0.005 0.000 2.220 648 R HA 0.239 4.587 4.340 0.013 0.000 0.340 648 R C -0.030 176.263 176.300 -0.012 0.000 1.076 648 R CA -0.346 55.749 56.100 -0.009 0.000 0.920 648 R CB 0.115 30.409 30.300 -0.011 0.000 1.062 648 R HN 0.400 nan 8.270 nan 0.000 0.469 649 V N 0.901 120.807 119.914 -0.013 0.000 2.567 649 V HA 0.430 4.558 4.120 0.013 0.000 0.289 649 V C 0.477 176.551 176.094 -0.034 0.000 1.049 649 V CA -1.151 61.141 62.300 -0.014 0.000 0.969 649 V CB 1.181 33.007 31.823 0.004 0.000 0.995 649 V HN 0.774 nan 8.190 nan 0.000 0.471 650 R N 2.966 123.449 120.500 -0.028 0.000 2.531 650 R HA 0.431 4.779 4.340 0.013 0.000 0.273 650 R C 0.011 176.283 176.300 -0.047 0.000 1.070 650 R CA -0.812 55.264 56.100 -0.040 0.000 1.112 650 R CB 0.897 31.178 30.300 -0.031 0.000 1.049 650 R HN 0.855 nan 8.270 nan 0.000 0.508 651 K N 1.514 121.873 120.400 -0.068 0.000 2.436 651 K HA 0.065 4.393 4.320 0.013 0.000 0.282 651 K C 0.139 176.706 176.600 -0.054 0.000 1.044 651 K CA 1.042 57.282 56.287 -0.077 0.000 1.028 651 K CB 0.004 32.452 32.500 -0.087 0.000 0.919 651 K HN 0.925 nan 8.250 nan 0.000 0.474 652 G N 3.372 112.156 108.800 -0.026 0.000 2.291 652 G HA2 -0.194 3.774 3.960 0.013 0.000 0.271 652 G HA3 -0.194 3.774 3.960 0.013 0.000 0.271 652 G C -0.699 174.204 174.900 0.005 0.000 1.099 652 G CA 0.103 45.172 45.100 -0.052 0.000 0.919 652 G HN 0.771 nan 8.290 nan 0.000 0.496 653 D N 0.038 120.511 120.400 0.122 0.000 2.350 653 D HA 0.499 5.147 4.640 0.013 0.000 0.245 653 D C 1.292 177.736 176.300 0.240 0.000 1.036 653 D CA -0.755 53.331 54.000 0.144 0.000 0.848 653 D CB 1.306 42.137 40.800 0.052 0.000 1.307 653 D HN 0.592 nan 8.370 nan 0.000 0.469 654 L N 1.506 122.846 121.223 0.195 0.000 2.562 654 L HA 0.210 4.558 4.340 0.013 0.000 0.271 654 L C 0.737 177.584 176.870 -0.039 0.000 1.167 654 L CA -0.282 54.552 54.840 -0.010 0.000 0.917 654 L CB 0.240 42.256 42.059 -0.072 0.000 1.187 654 L HN 0.338 nan 8.230 nan 0.000 0.482 655 L N 3.651 124.836 121.223 -0.064 0.000 2.221 655 L HA 0.410 4.758 4.340 0.013 0.000 0.202 655 L C 1.148 177.987 176.870 -0.051 0.000 1.074 655 L CA 0.804 55.637 54.840 -0.012 0.000 0.795 655 L CB -0.156 41.943 42.059 0.066 0.000 0.960 655 L HN 0.892 nan 8.230 nan 0.000 0.458 656 A N -1.159 121.594 122.820 -0.112 0.000 2.515 656 A HA 0.451 4.779 4.320 0.013 0.000 0.298 656 A C -1.447 176.036 177.584 -0.169 0.000 1.059 656 A CA -0.648 51.319 52.037 -0.117 0.000 0.698 656 A CB 1.264 20.204 19.000 -0.100 0.000 1.289 656 A HN -0.022 nan 8.150 nan 0.000 0.404 657 D N 0.960 121.280 120.400 -0.133 0.000 2.255 657 D HA 0.438 5.086 4.640 0.013 0.000 0.249 657 D C 0.892 177.120 176.300 -0.120 0.000 1.078 657 D CA 0.563 54.485 54.000 -0.130 0.000 0.896 657 D CB 1.845 42.592 40.800 -0.089 0.000 1.194 657 D HN 0.703 nan 8.370 nan 0.000 0.429 658 G N 2.228 110.957 108.800 -0.118 0.000 2.486 658 G HA2 0.062 4.030 3.960 0.013 0.000 0.272 658 G HA3 0.062 4.030 3.960 0.013 0.000 0.272 658 G C -1.563 173.304 174.900 -0.054 0.000 1.426 658 G CA -0.430 44.613 45.100 -0.096 0.000 1.058 658 G HN 0.277 nan 8.290 nan 0.000 0.531 659 P HA -0.033 nan 4.420 nan 0.000 0.214 659 P C 1.444 178.750 177.300 0.010 0.000 1.163 659 P CA 2.684 65.784 63.100 -0.001 0.000 0.883 659 P CB 0.155 31.858 31.700 0.005 0.000 0.788 660 A N -1.645 121.183 122.820 0.012 0.000 2.419 660 A HA 0.186 4.514 4.320 0.013 0.000 0.233 660 A C 0.758 178.363 177.584 0.036 0.000 1.217 660 A CA 0.127 52.180 52.037 0.027 0.000 0.944 660 A CB -0.432 18.591 19.000 0.039 0.000 1.025 660 A HN 0.219 nan 8.150 nan 0.000 0.524 661 S N 1.767 117.480 115.700 0.022 0.000 2.473 661 S HA 0.404 4.882 4.470 0.013 0.000 0.312 661 S C -0.299 174.296 174.600 -0.009 0.000 1.087 661 S CA -0.479 57.737 58.200 0.026 0.000 1.077 661 S CB 0.493 63.703 63.200 0.017 0.000 1.065 661 S HN 0.385 nan 8.310 nan 0.000 0.510 662 E N 3.257 123.461 120.200 0.007 0.000 2.133 662 E HA 0.286 4.644 4.350 0.013 0.000 0.274 662 E C -0.233 176.330 176.600 -0.061 0.000 0.930 662 E CA -0.433 55.953 56.400 -0.024 0.000 0.770 662 E CB 0.589 30.287 29.700 -0.003 0.000 1.104 662 E HN 0.654 nan 8.360 nan 0.000 0.403 663 N N 3.061 121.687 118.700 -0.123 0.000 2.984 663 N HA -0.191 4.557 4.740 0.013 0.000 0.227 663 N C 0.711 176.005 175.510 -0.361 0.000 0.903 663 N CA 2.223 55.133 53.050 -0.234 0.000 0.995 663 N CB -1.315 37.009 38.487 -0.271 0.000 1.065 663 N HN 0.935 nan 8.380 nan 0.000 0.585 664 G N -2.170 106.495 108.800 -0.224 0.000 2.179 664 G HA2 -0.245 3.723 3.960 0.013 0.000 0.220 664 G HA3 -0.245 3.723 3.960 0.013 0.000 0.220 664 G C 0.114 175.007 174.900 -0.012 0.000 0.990 664 G CA 0.061 45.077 45.100 -0.140 0.000 0.646 664 G HN 0.366 nan 8.290 nan 0.000 0.517 665 F N -0.171 119.781 119.950 0.003 0.000 2.440 665 F HA 0.696 5.231 4.527 0.013 0.000 0.328 665 F C 0.609 176.399 175.800 -0.017 0.000 1.070 665 F CA -1.512 56.479 58.000 -0.015 0.000 1.011 665 F CB 1.369 40.347 39.000 -0.037 0.000 1.226 665 F HN 0.070 nan 8.300 nan 0.000 0.491 666 L N 2.696 124.027 121.223 0.181 0.000 2.331 666 L HA 0.643 4.991 4.340 0.013 0.000 0.278 666 L C -0.570 176.350 176.870 0.083 0.000 1.106 666 L CA -0.206 54.691 54.840 0.095 0.000 0.824 666 L CB 0.360 42.451 42.059 0.053 0.000 1.142 666 L HN 0.590 nan 8.230 nan 0.000 0.443 667 A N 5.778 128.665 122.820 0.112 0.000 2.437 667 A HA 0.778 5.106 4.320 0.013 0.000 0.293 667 A C -1.915 175.780 177.584 0.185 0.000 1.038 667 A CA -0.492 51.653 52.037 0.180 0.000 0.708 667 A CB 1.118 20.204 19.000 0.143 0.000 1.251 667 A HN 0.579 nan 8.150 nan 0.000 0.409 668 L N 1.722 123.127 121.223 0.304 0.000 2.504 668 L HA 0.809 5.157 4.340 0.013 0.000 0.265 668 L C 0.508 177.303 176.870 -0.126 0.000 0.975 668 L CA 0.567 55.460 54.840 0.089 0.000 0.864 668 L CB 0.980 43.097 42.059 0.097 0.000 1.212 668 L HN 1.999 nan 8.230 nan 0.000 0.416 669 G N 1.901 110.552 108.800 -0.250 0.000 2.610 669 G HA2 -0.026 3.942 3.960 0.013 0.000 0.304 669 G HA3 -0.026 3.942 3.960 0.013 0.000 0.304 669 G C -1.218 173.437 174.900 -0.409 0.000 1.309 669 G CA -0.719 44.083 45.100 -0.496 0.000 0.906 669 G HN 0.596 nan 8.290 nan 0.000 0.521 670 Q N -0.575 119.006 119.800 -0.364 0.000 2.495 670 Q HA 0.387 4.735 4.340 0.013 0.000 0.287 670 Q C -0.710 175.383 176.000 0.155 0.000 1.078 670 Q CA -1.117 54.629 55.803 -0.095 0.000 0.793 670 Q CB 1.690 30.249 28.738 -0.298 0.000 1.459 670 Q HN 0.606 nan 8.270 nan 0.000 0.422 671 N N 1.400 120.249 118.700 0.247 0.000 2.422 671 N HA 0.244 4.992 4.740 0.013 0.000 0.264 671 N C -0.524 175.206 175.510 0.368 0.000 1.063 671 N CA 0.056 53.306 53.050 0.333 0.000 0.959 671 N CB 1.259 39.944 38.487 0.328 0.000 1.087 671 N HN 0.342 nan 8.380 nan 0.000 0.483 672 V N 0.274 120.382 119.914 0.323 0.000 2.864 672 V HA 0.520 4.648 4.120 0.013 0.000 0.314 672 V C 0.078 176.265 176.094 0.156 0.000 1.073 672 V CA -1.200 61.280 62.300 0.301 0.000 0.956 672 V CB 1.968 33.937 31.823 0.243 0.000 1.023 672 V HN 0.506 nan 8.190 nan 0.000 0.435 673 L N 3.607 124.874 121.223 0.074 0.000 2.410 673 L HA 0.643 4.991 4.340 0.013 0.000 0.273 673 L C -0.320 176.536 176.870 -0.024 0.000 1.152 673 L CA -0.039 54.778 54.840 -0.038 0.000 0.855 673 L CB 1.340 43.295 42.059 -0.175 0.000 1.129 673 L HN 0.819 nan 8.230 nan 0.000 0.463 674 V N 5.445 125.352 119.914 -0.012 0.000 2.686 674 V HA 0.774 4.902 4.120 0.013 0.000 0.306 674 V C -0.431 175.665 176.094 0.003 0.000 1.065 674 V CA -0.267 62.030 62.300 -0.004 0.000 0.894 674 V CB 1.894 33.728 31.823 0.018 0.000 1.004 674 V HN 0.879 nan 8.190 nan 0.000 0.424 675 A N 5.981 128.802 122.820 0.003 0.000 2.301 675 A HA 0.777 5.105 4.320 0.013 0.000 0.312 675 A C -0.513 177.090 177.584 0.030 0.000 1.182 675 A CA -0.451 51.600 52.037 0.023 0.000 0.826 675 A CB 1.028 20.050 19.000 0.037 0.000 1.134 675 A HN 1.240 nan 8.150 nan 0.000 0.501 676 I N 3.913 124.504 120.570 0.035 0.000 2.318 676 I HA 0.487 4.665 4.170 0.013 0.000 0.285 676 I C -0.127 176.016 176.117 0.044 0.000 1.127 676 I CA -0.073 61.246 61.300 0.033 0.000 1.243 676 I CB -0.840 37.173 38.000 0.020 0.000 1.498 676 I HN 0.680 nan 8.210 nan 0.000 0.535 677 M N 4.951 124.590 119.600 0.066 0.000 2.813 677 M HA 0.769 5.257 4.480 0.013 0.000 0.270 677 M C -2.960 173.411 176.300 0.119 0.000 1.267 677 M CA -1.782 53.568 55.300 0.082 0.000 0.822 677 M CB 1.730 34.387 32.600 0.096 0.000 1.671 677 M HN -0.130 nan 8.290 nan 0.000 0.468 678 P HA 0.468 nan 4.420 nan 0.000 0.294 678 P C -1.625 175.804 177.300 0.215 0.000 1.294 678 P CA -0.135 63.052 63.100 0.146 0.000 0.827 678 P CB 0.688 32.438 31.700 0.084 0.000 0.992 679 F N 1.487 121.487 119.950 0.084 0.000 2.450 679 F HA 0.238 4.773 4.527 0.013 0.000 0.361 679 F C 1.956 177.814 175.800 0.097 0.000 1.092 679 F CA -0.251 57.820 58.000 0.119 0.000 1.105 679 F CB 0.523 39.635 39.000 0.187 0.000 1.458 679 F HN 0.294 nan 8.300 nan 0.000 0.496 680 D N 0.183 120.605 120.400 0.035 0.000 2.286 680 D HA -0.120 4.528 4.640 0.013 0.000 0.197 680 D C 1.395 177.641 176.300 -0.090 0.000 1.015 680 D CA 2.711 56.666 54.000 -0.075 0.000 0.871 680 D CB -0.421 40.310 40.800 -0.115 0.000 1.044 680 D HN 0.599 nan 8.370 nan 0.000 0.459 681 G N -3.018 105.653 108.800 -0.217 0.000 4.247 681 G HA2 -0.029 3.939 3.960 0.013 0.000 0.231 681 G HA3 -0.029 3.939 3.960 0.013 0.000 0.231 681 G C 0.280 175.140 174.900 -0.067 0.000 1.079 681 G CA -0.101 44.929 45.100 -0.117 0.000 0.850 681 G HN 0.195 nan 8.290 nan 0.000 0.435 682 Y N 2.010 122.420 120.300 0.183 0.000 2.569 682 Y HA -0.008 4.550 4.550 0.013 0.000 0.293 682 Y C 1.183 177.161 175.900 0.131 0.000 1.144 682 Y CA 1.127 59.315 58.100 0.146 0.000 1.321 682 Y CB -0.006 38.545 38.460 0.152 0.000 0.982 682 Y HN 0.413 nan 8.280 nan 0.000 0.558 683 N N -2.048 116.809 118.700 0.262 0.000 2.672 683 N HA 0.090 4.838 4.740 0.013 0.000 0.295 683 N C 0.210 175.829 175.510 0.183 0.000 1.924 683 N CA -0.391 52.771 53.050 0.186 0.000 0.851 683 N CB -0.792 37.785 38.487 0.150 0.000 1.281 683 N HN 0.018 nan 8.380 nan 0.000 0.494 684 F N 1.168 121.140 119.950 0.037 0.000 1.990 684 F HA 0.106 4.641 4.527 0.014 0.000 0.293 684 F C 1.999 177.807 175.800 0.014 0.000 1.216 684 F CA 1.571 59.578 58.000 0.012 0.000 1.155 684 F CB -0.102 38.893 39.000 -0.009 0.000 0.979 684 F HN 0.254 nan 8.300 nan 0.000 0.487 685 E N -0.989 118.929 120.200 -0.470 0.000 2.030 685 E HA -0.060 4.298 4.350 0.013 0.000 0.189 685 E C 0.271 176.760 176.600 -0.185 0.000 0.974 685 E CA 1.370 57.436 56.400 -0.556 0.000 0.807 685 E CB 0.241 29.683 29.700 -0.431 0.000 0.771 685 E HN 0.384 nan 8.360 nan 0.000 0.451 686 D N -0.837 119.535 120.400 -0.047 0.000 2.881 686 D HA 0.255 4.903 4.640 0.013 0.000 0.325 686 D C -1.242 175.074 176.300 0.026 0.000 1.621 686 D CA -0.004 53.987 54.000 -0.016 0.000 0.785 686 D CB 0.848 41.636 40.800 -0.021 0.000 1.233 686 D HN 0.171 nan 8.370 nan 0.000 0.447 687 A N 0.426 123.284 122.820 0.063 0.000 2.286 687 A HA 0.731 5.059 4.320 0.013 0.000 0.286 687 A C 0.054 177.675 177.584 0.062 0.000 1.097 687 A CA -0.115 51.972 52.037 0.082 0.000 0.821 687 A CB 0.812 19.896 19.000 0.140 0.000 1.076 687 A HN 0.223 nan 8.150 nan 0.000 0.490 688 I N 0.792 121.388 120.570 0.043 0.000 2.608 688 I HA 0.366 4.544 4.170 0.013 0.000 0.295 688 I C -0.917 175.190 176.117 -0.016 0.000 1.049 688 I CA -0.822 60.483 61.300 0.008 0.000 1.063 688 I CB 2.315 40.306 38.000 -0.016 0.000 1.248 688 I HN 0.328 nan 8.210 nan 0.000 0.424 689 V N 6.490 126.366 119.914 -0.063 0.000 2.483 689 V HA 0.473 4.601 4.120 0.013 0.000 0.295 689 V C -0.197 175.789 176.094 -0.180 0.000 1.035 689 V CA -0.564 61.646 62.300 -0.149 0.000 0.896 689 V CB 2.004 33.659 31.823 -0.280 0.000 0.986 689 V HN 0.481 nan 8.190 nan 0.000 0.447 690 I N 3.425 123.883 120.570 -0.187 0.000 2.646 690 I HA 0.568 4.746 4.170 0.013 0.000 0.299 690 I C 0.218 176.220 176.117 -0.193 0.000 1.036 690 I CA -0.305 60.884 61.300 -0.185 0.000 1.074 690 I CB 2.263 40.163 38.000 -0.167 0.000 1.258 690 I HN 0.703 nan 8.210 nan 0.000 0.430 691 S N 4.768 120.357 115.700 -0.184 0.000 2.465 691 S HA 0.147 4.625 4.470 0.013 0.000 0.279 691 S C 1.007 175.521 174.600 -0.143 0.000 1.201 691 S CA -0.191 57.910 58.200 -0.165 0.000 1.053 691 S CB 1.128 64.234 63.200 -0.157 0.000 0.953 691 S HN 0.870 nan 8.310 nan 0.000 0.488 692 E N 2.791 122.919 120.200 -0.120 0.000 2.236 692 E HA -0.292 4.066 4.350 0.013 0.000 0.205 692 E C 1.494 178.037 176.600 -0.095 0.000 1.028 692 E CA 1.893 58.237 56.400 -0.093 0.000 0.827 692 E CB -0.119 29.536 29.700 -0.076 0.000 0.735 692 E HN 0.902 nan 8.360 nan 0.000 0.470 693 E N 0.024 120.155 120.200 -0.115 0.000 2.219 693 E HA -0.185 4.173 4.350 0.013 0.000 0.198 693 E C 1.794 178.283 176.600 -0.185 0.000 0.998 693 E CA 0.983 57.302 56.400 -0.135 0.000 0.818 693 E CB -0.092 29.519 29.700 -0.149 0.000 0.741 693 E HN 0.378 nan 8.360 nan 0.000 0.477 694 L N -0.381 120.725 121.223 -0.195 0.000 2.109 694 L HA -0.087 4.261 4.340 0.013 0.000 0.207 694 L C 2.415 179.265 176.870 -0.034 0.000 1.086 694 L CA 0.635 55.352 54.840 -0.205 0.000 0.760 694 L CB -0.289 41.657 42.059 -0.188 0.000 0.910 694 L HN 0.259 nan 8.230 nan 0.000 0.437 695 L N -0.077 121.129 121.223 -0.029 0.000 2.141 695 L HA -0.214 4.134 4.340 0.013 0.000 0.209 695 L C 2.614 179.502 176.870 0.030 0.000 1.094 695 L CA 1.300 56.153 54.840 0.022 0.000 0.763 695 L CB -0.129 41.927 42.059 -0.004 0.000 0.908 695 L HN 0.257 nan 8.230 nan 0.000 0.437 696 K N 0.229 120.625 120.400 -0.007 0.000 2.026 696 K HA -0.181 4.147 4.320 0.013 0.000 0.208 696 K C 1.446 178.067 176.600 0.035 0.000 1.048 696 K CA 1.560 57.847 56.287 0.001 0.000 0.929 696 K CB -0.174 32.309 32.500 -0.028 0.000 0.713 696 K HN 0.439 nan 8.250 nan 0.000 0.439 697 R N 1.217 121.744 120.500 0.045 0.000 2.555 697 R HA 0.081 4.429 4.340 0.013 0.000 0.272 697 R C -0.774 175.674 176.300 0.247 0.000 1.089 697 R CA 0.009 56.190 56.100 0.134 0.000 1.126 697 R CB -0.372 30.011 30.300 0.138 0.000 1.250 697 R HN 0.009 nan 8.270 nan 0.000 0.551 698 D N 0.858 121.371 120.400 0.189 0.000 2.706 698 D HA -0.224 4.424 4.640 0.013 0.000 0.230 698 D C 0.051 176.529 176.300 0.296 0.000 1.184 698 D CA 0.676 54.793 54.000 0.196 0.000 0.628 698 D CB -0.810 40.068 40.800 0.131 0.000 1.019 698 D HN 0.304 nan 8.370 nan 0.000 0.415 699 F N -0.227 119.814 119.950 0.151 0.000 2.075 699 F HA -0.144 4.391 4.527 0.013 0.000 0.297 699 F C 1.266 177.244 175.800 0.297 0.000 1.113 699 F CA 1.197 59.345 58.000 0.247 0.000 1.218 699 F CB -0.034 39.160 39.000 0.322 0.000 0.984 699 F HN 0.065 nan 8.300 nan 0.000 0.472 700 Y N 0.255 120.672 120.300 0.195 0.000 2.854 700 Y HA 0.380 4.938 4.550 0.013 0.000 0.330 700 Y C -0.423 175.514 175.900 0.063 0.000 1.037 700 Y CA -1.236 56.916 58.100 0.088 0.000 1.263 700 Y CB 0.360 38.867 38.460 0.079 0.000 1.120 700 Y HN -0.261 nan 8.280 nan 0.000 0.532 701 T N 1.053 115.660 114.554 0.088 0.000 3.031 701 T HA 0.417 4.775 4.350 0.013 0.000 0.305 701 T C -0.511 174.213 174.700 0.040 0.000 0.985 701 T CA -1.001 61.143 62.100 0.074 0.000 1.008 701 T CB 1.034 69.951 68.868 0.081 0.000 1.005 701 T HN 0.372 nan 8.240 nan 0.000 0.444 702 S N 2.689 118.418 115.700 0.049 0.000 2.501 702 S HA 0.797 5.275 4.470 0.013 0.000 0.301 702 S C -0.392 174.271 174.600 0.106 0.000 1.096 702 S CA -0.858 57.387 58.200 0.075 0.000 1.063 702 S CB 0.767 64.023 63.200 0.093 0.000 1.042 702 S HN 0.423 nan 8.310 nan 0.000 0.494 703 I N 2.864 123.502 120.570 0.113 0.000 2.428 703 I HA 0.441 4.619 4.170 0.013 0.000 0.289 703 I C 0.087 176.313 176.117 0.182 0.000 1.019 703 I CA 0.253 61.607 61.300 0.090 0.000 1.351 703 I CB 0.681 38.679 38.000 -0.003 0.000 1.412 703 I HN 0.756 nan 8.210 nan 0.000 0.513 704 H N 5.233 124.312 119.070 0.015 0.000 2.821 704 H HA 0.726 5.290 4.556 0.013 0.000 0.373 704 H C -1.050 174.296 175.328 0.030 0.000 1.165 704 H CA -0.481 55.591 56.048 0.039 0.000 1.154 704 H CB 1.701 31.492 29.762 0.050 0.000 1.765 704 H HN 0.373 nan 8.280 nan 0.000 0.549 705 I N 1.892 122.407 120.570 -0.091 0.000 2.582 705 I HA 0.273 4.451 4.170 0.013 0.000 0.292 705 I C -0.770 175.316 176.117 -0.052 0.000 1.066 705 I CA -0.761 60.513 61.300 -0.043 0.000 1.053 705 I CB 2.198 40.151 38.000 -0.078 0.000 1.241 705 I HN 0.462 nan 8.210 nan 0.000 0.421 706 E N 5.180 125.383 120.200 0.006 0.000 2.210 706 E HA 0.364 4.722 4.350 0.013 0.000 0.266 706 E C -0.913 175.577 176.600 -0.183 0.000 0.883 706 E CA -0.674 55.669 56.400 -0.095 0.000 0.761 706 E CB 1.553 31.255 29.700 0.004 0.000 1.156 706 E HN 0.358 nan 8.360 nan 0.000 0.412 707 R N 4.769 125.048 120.500 -0.369 0.000 2.369 707 R HA 0.225 4.573 4.340 0.013 0.000 0.310 707 R C -0.955 175.176 176.300 -0.282 0.000 1.141 707 R CA -0.504 55.377 56.100 -0.366 0.000 1.116 707 R CB 0.088 30.077 30.300 -0.519 0.000 1.135 707 R HN 0.519 nan 8.270 nan 0.000 0.529 708 Y N 1.506 121.767 120.300 -0.064 0.000 2.335 708 Y HA 0.198 4.756 4.550 0.013 0.000 0.331 708 Y C 0.454 176.355 175.900 0.002 0.000 1.094 708 Y CA -0.269 57.819 58.100 -0.020 0.000 1.253 708 Y CB 0.909 39.365 38.460 -0.006 0.000 1.203 708 Y HN 0.394 nan 8.280 nan 0.000 0.508 709 E N 2.957 123.223 120.200 0.110 0.000 2.234 709 E HA 0.551 4.909 4.350 0.013 0.000 0.266 709 E C -1.744 174.900 176.600 0.073 0.000 0.877 709 E CA -0.969 55.482 56.400 0.084 0.000 0.758 709 E CB 1.711 31.441 29.700 0.049 0.000 1.170 709 E HN 0.563 nan 8.360 nan 0.000 0.415 710 I N 2.542 123.151 120.570 0.065 0.000 2.608 710 I HA 0.336 4.514 4.170 0.013 0.000 0.295 710 I C -1.223 174.917 176.117 0.037 0.000 1.049 710 I CA -0.390 60.939 61.300 0.047 0.000 1.063 710 I CB 1.871 39.897 38.000 0.043 0.000 1.248 710 I HN 0.508 nan 8.210 nan 0.000 0.424 711 E N 4.837 125.055 120.200 0.030 0.000 2.212 711 E HA 0.702 5.060 4.350 0.013 0.000 0.268 711 E C -1.030 175.583 176.600 0.022 0.000 0.902 711 E CA -1.138 55.278 56.400 0.025 0.000 0.779 711 E CB 1.857 31.570 29.700 0.023 0.000 1.172 711 E HN 0.679 nan 8.360 nan 0.000 0.409 712 A N 4.013 126.845 122.820 0.020 0.000 2.923 712 A HA 0.200 4.528 4.320 0.013 0.000 0.306 712 A C 0.209 177.804 177.584 0.018 0.000 1.542 712 A CA -0.221 51.828 52.037 0.019 0.000 1.225 712 A CB -0.201 18.810 19.000 0.018 0.000 1.147 712 A HN 0.512 nan 8.150 nan 0.000 0.542 713 R N 0.946 121.457 120.500 0.019 0.000 2.694 713 R HA 0.069 4.417 4.340 0.013 0.000 0.268 713 R C -0.830 175.481 176.300 0.017 0.000 1.061 713 R CA 0.076 56.186 56.100 0.018 0.000 1.133 713 R CB 0.505 30.816 30.300 0.019 0.000 1.020 713 R HN 0.590 nan 8.270 nan 0.000 0.475 714 D N 2.038 122.446 120.400 0.013 0.000 2.473 714 D HA 0.076 4.724 4.640 0.013 0.000 0.226 714 D C -0.353 175.949 176.300 0.003 0.000 1.089 714 D CA -0.014 53.991 54.000 0.009 0.000 0.883 714 D CB 1.095 41.898 40.800 0.005 0.000 1.029 714 D HN 0.514 nan 8.370 nan 0.000 0.517 715 T N -0.408 114.148 114.554 0.004 0.000 2.922 715 T HA 0.276 4.634 4.350 0.013 0.000 0.285 715 T C 1.112 175.789 174.700 -0.039 0.000 1.005 715 T CA -0.687 61.407 62.100 -0.009 0.000 1.061 715 T CB 1.729 70.602 68.868 0.008 0.000 1.007 715 T HN 0.154 nan 8.240 nan 0.000 0.502 716 K N 1.232 121.594 120.400 -0.062 0.000 2.525 716 K HA 0.177 4.505 4.320 0.013 0.000 0.192 716 K C 1.249 177.748 176.600 -0.169 0.000 1.029 716 K CA 0.340 56.574 56.287 -0.090 0.000 1.029 716 K CB -0.313 32.140 32.500 -0.079 0.000 0.814 716 K HN 0.540 nan 8.250 nan 0.000 0.503 717 L N -0.027 121.069 121.223 -0.212 0.000 2.585 717 L HA 0.181 4.529 4.340 0.013 0.000 0.226 717 L C 0.534 177.249 176.870 -0.257 0.000 1.113 717 L CA -0.257 54.297 54.840 -0.478 0.000 0.876 717 L CB 0.399 42.129 42.059 -0.548 0.000 1.072 717 L HN 0.233 nan 8.230 nan 0.000 0.468 718 G N 0.320 109.073 108.800 -0.079 0.000 3.088 718 G HA2 -0.023 3.945 3.960 0.013 0.000 0.620 718 G HA3 -0.023 3.945 3.960 0.013 0.000 0.620 718 G C -3.026 171.897 174.900 0.038 0.000 1.375 718 G CA -1.285 43.820 45.100 0.008 0.000 1.016 718 G HN -0.253 nan 8.290 nan 0.000 0.590 719 P HA 0.125 nan 4.420 nan 0.000 0.261 719 P C 0.137 177.460 177.300 0.038 0.000 1.173 719 P CA 0.577 63.693 63.100 0.026 0.000 0.760 719 P CB 0.394 32.105 31.700 0.018 0.000 0.783 720 E N 3.805 124.027 120.200 0.036 0.000 2.029 720 E HA 0.077 4.435 4.350 0.013 0.000 0.276 720 E C 0.307 176.923 176.600 0.027 0.000 1.163 720 E CA -0.183 56.239 56.400 0.037 0.000 0.909 720 E CB 0.292 30.011 29.700 0.033 0.000 1.046 720 E HN 0.279 nan 8.360 nan 0.000 0.406 721 R N 2.176 122.692 120.500 0.027 0.000 2.615 721 R HA 0.287 4.635 4.340 0.013 0.000 0.270 721 R C 0.046 176.357 176.300 0.017 0.000 1.081 721 R CA -0.407 55.705 56.100 0.021 0.000 1.154 721 R CB 0.817 31.129 30.300 0.020 0.000 1.063 721 R HN 0.458 nan 8.270 nan 0.000 0.519 722 I N 2.216 122.795 120.570 0.014 0.000 2.437 722 I HA 0.213 4.391 4.170 0.013 0.000 0.279 722 I C -0.888 175.235 176.117 0.009 0.000 1.028 722 I CA 0.404 61.712 61.300 0.012 0.000 1.142 722 I CB 1.024 39.032 38.000 0.013 0.000 1.266 722 I HN 0.585 nan 8.210 nan 0.000 0.461 723 T N 5.497 120.056 114.554 0.008 0.000 2.787 723 T HA 0.340 4.698 4.350 0.013 0.000 0.297 723 T C 0.790 175.492 174.700 0.004 0.000 1.221 723 T CA -0.597 61.507 62.100 0.006 0.000 1.006 723 T CB 1.807 70.679 68.868 0.007 0.000 1.328 723 T HN 0.697 nan 8.240 nan 0.000 0.509 724 R N 0.491 120.992 120.500 0.003 0.000 2.339 724 R HA 0.069 4.417 4.340 0.013 0.000 0.199 724 R C -0.363 175.938 176.300 0.002 0.000 1.018 724 R CA 0.428 56.529 56.100 0.001 0.000 1.036 724 R CB -0.225 30.075 30.300 -0.000 0.000 0.899 724 R HN 0.471 nan 8.270 nan 0.000 0.473 725 D N 0.741 121.143 120.400 0.004 0.000 2.342 725 D HA 0.041 4.689 4.640 0.013 0.000 0.260 725 D C -0.646 175.659 176.300 0.007 0.000 1.278 725 D CA 0.212 54.215 54.000 0.005 0.000 0.910 725 D CB 0.531 41.335 40.800 0.006 0.000 1.079 725 D HN 0.078 nan 8.370 nan 0.000 0.496 726 I N 6.222 126.798 120.570 0.010 0.000 2.361 726 I HA 0.161 4.339 4.170 0.013 0.000 0.282 726 I C -1.407 174.730 176.117 0.032 0.000 1.075 726 I CA -2.216 59.094 61.300 0.017 0.000 1.205 726 I CB 0.757 38.765 38.000 0.014 0.000 1.406 726 I HN 0.250 nan 8.210 nan 0.000 0.481 727 P HA -0.246 nan 4.420 nan 0.000 0.224 727 P C 1.057 178.410 177.300 0.088 0.000 1.154 727 P CA 1.718 64.848 63.100 0.049 0.000 0.868 727 P CB 0.101 31.828 31.700 0.045 0.000 0.782 728 H N -1.809 117.246 119.070 -0.025 0.000 2.538 728 H HA 0.241 4.805 4.556 0.013 0.000 0.286 728 H C 1.305 176.621 175.328 -0.021 0.000 1.035 728 H CA 0.209 56.242 56.048 -0.025 0.000 1.169 728 H CB -0.814 28.931 29.762 -0.027 0.000 1.417 728 H HN -0.063 nan 8.280 nan 0.000 0.567 729 L N -1.264 119.963 121.223 0.007 0.000 4.800 729 L HA -0.235 4.113 4.340 0.013 0.000 0.412 729 L C -0.831 176.038 176.870 -0.002 0.000 1.063 729 L CA 0.463 55.290 54.840 -0.021 0.000 1.114 729 L CB -2.332 39.683 42.059 -0.074 0.000 2.089 729 L HN 0.260 nan 8.230 nan 0.000 0.686 730 S N -0.786 114.926 115.700 0.020 0.000 2.565 730 S HA 0.541 5.019 4.470 0.013 0.000 0.274 730 S C 0.550 175.153 174.600 0.003 0.000 1.309 730 S CA 0.100 58.308 58.200 0.013 0.000 1.043 730 S CB 2.013 65.225 63.200 0.020 0.000 0.939 730 S HN 0.475 nan 8.310 nan 0.000 0.504 731 E N 1.747 121.946 120.200 -0.001 0.000 2.474 731 E HA 0.357 4.715 4.350 0.013 0.000 0.215 731 E C 1.686 178.283 176.600 -0.004 0.000 0.867 731 E CA 0.639 57.037 56.400 -0.003 0.000 1.135 731 E CB -0.301 29.396 29.700 -0.005 0.000 1.147 731 E HN 0.770 nan 8.360 nan 0.000 0.534 732 A N 0.404 123.221 122.820 -0.004 0.000 2.119 732 A HA 0.223 4.551 4.320 0.013 0.000 0.217 732 A C 1.984 179.563 177.584 -0.008 0.000 1.153 732 A CA 1.376 53.410 52.037 -0.006 0.000 0.692 732 A CB -0.309 18.688 19.000 -0.005 0.000 0.799 732 A HN 0.231 nan 8.150 nan 0.000 0.458 733 A N -1.634 121.181 122.820 -0.007 0.000 2.387 733 A HA 0.512 4.840 4.320 0.013 0.000 0.234 733 A C 1.052 178.629 177.584 -0.012 0.000 1.253 733 A CA 0.080 52.111 52.037 -0.012 0.000 0.894 733 A CB -0.038 18.954 19.000 -0.012 0.000 0.963 733 A HN 0.289 nan 8.150 nan 0.000 0.508 734 L N -0.731 120.487 121.223 -0.008 0.000 2.693 734 L HA 0.275 4.623 4.340 0.013 0.000 0.235 734 L C 2.034 178.899 176.870 -0.008 0.000 1.127 734 L CA 0.524 55.359 54.840 -0.008 0.000 0.914 734 L CB -0.280 41.776 42.059 -0.005 0.000 1.193 734 L HN 0.289 nan 8.230 nan 0.000 0.502 735 R N -0.004 120.490 120.500 -0.009 0.000 2.070 735 R HA -0.112 4.236 4.340 0.013 0.000 0.227 735 R C 1.451 177.745 176.300 -0.009 0.000 1.147 735 R CA 1.703 57.798 56.100 -0.008 0.000 0.924 735 R CB -0.452 29.843 30.300 -0.008 0.000 0.827 735 R HN 0.272 nan 8.270 nan 0.000 0.431 736 D N 1.100 121.493 120.400 -0.012 0.000 2.158 736 D HA -0.173 4.475 4.640 0.013 0.000 0.197 736 D C 1.088 177.380 176.300 -0.013 0.000 0.995 736 D CA 0.877 54.869 54.000 -0.014 0.000 0.846 736 D CB -0.214 40.575 40.800 -0.019 0.000 0.941 736 D HN 0.139 nan 8.370 nan 0.000 0.456 737 L N 1.578 122.794 121.223 -0.013 0.000 2.391 737 L HA 0.003 4.351 4.340 0.013 0.000 0.249 737 L C 0.628 177.494 176.870 -0.008 0.000 1.308 737 L CA -0.122 54.712 54.840 -0.011 0.000 1.209 737 L CB 0.087 42.139 42.059 -0.011 0.000 1.401 737 L HN -0.250 nan 8.230 nan 0.000 0.416 738 D N 1.119 121.515 120.400 -0.007 0.000 2.146 738 D HA -0.129 4.519 4.640 0.013 0.000 0.209 738 D C 0.710 177.008 176.300 -0.004 0.000 0.973 738 D CA 0.583 54.580 54.000 -0.005 0.000 0.860 738 D CB 0.336 41.133 40.800 -0.005 0.000 1.015 738 D HN 0.542 nan 8.370 nan 0.000 0.465 739 E N 1.140 121.338 120.200 -0.004 0.000 2.493 739 E HA -0.091 4.267 4.350 0.013 0.000 0.255 739 E C -0.678 175.921 176.600 -0.002 0.000 0.999 739 E CA -0.136 56.262 56.400 -0.003 0.000 0.934 739 E CB 0.352 30.050 29.700 -0.003 0.000 0.940 739 E HN 0.032 nan 8.360 nan 0.000 0.473 740 E N 3.260 123.460 120.200 -0.001 0.000 2.558 740 E HA -0.032 4.326 4.350 0.013 0.000 0.235 740 E C 0.684 177.284 176.600 0.001 0.000 1.217 740 E CA 1.478 57.878 56.400 0.000 0.000 0.955 740 E CB -0.249 29.451 29.700 0.001 0.000 1.027 740 E HN 0.826 nan 8.360 nan 0.000 0.491 741 G N 1.278 110.078 108.800 0.001 0.000 2.784 741 G HA2 -0.269 3.699 3.960 0.013 0.000 0.204 741 G HA3 -0.269 3.699 3.960 0.013 0.000 0.204 741 G C 0.277 175.178 174.900 0.001 0.000 1.300 741 G CA -0.259 44.842 45.100 0.002 0.000 0.863 741 G HN 0.427 nan 8.290 nan 0.000 0.541 742 V N 1.952 121.867 119.914 0.001 0.000 3.003 742 V HA 0.610 4.738 4.120 0.013 0.000 0.305 742 V C 1.056 177.148 176.094 -0.003 0.000 1.078 742 V CA 0.032 62.333 62.300 0.002 0.000 1.083 742 V CB 1.720 33.544 31.823 0.002 0.000 1.039 742 V HN 0.883 nan 8.190 nan 0.000 0.481 743 V N 4.647 124.559 119.914 -0.003 0.000 2.539 743 V HA 0.465 4.593 4.120 0.013 0.000 0.292 743 V C 0.554 176.644 176.094 -0.006 0.000 1.045 743 V CA -0.840 61.455 62.300 -0.009 0.000 0.945 743 V CB 1.401 33.215 31.823 -0.016 0.000 0.993 743 V HN 1.009 nan 8.190 nan 0.000 0.464 744 R N 5.957 126.452 120.500 -0.008 0.000 2.491 744 R HA 0.370 4.718 4.340 0.013 0.000 0.283 744 R C -0.337 175.959 176.300 -0.006 0.000 1.072 744 R CA -0.446 55.650 56.100 -0.007 0.000 1.048 744 R CB 0.315 30.611 30.300 -0.007 0.000 0.983 744 R HN 0.679 nan 8.270 nan 0.000 0.450 745 I N 2.701 123.267 120.570 -0.006 0.000 2.710 745 I HA 0.032 4.210 4.170 0.013 0.000 0.286 745 I C 1.246 177.360 176.117 -0.005 0.000 1.181 745 I CA 1.561 62.858 61.300 -0.005 0.000 1.430 745 I CB 0.876 38.871 38.000 -0.009 0.000 1.367 745 I HN 1.113 nan 8.210 nan 0.000 0.577 746 G N 4.144 112.942 108.800 -0.004 0.000 2.157 746 G HA2 -0.168 3.800 3.960 0.013 0.000 0.239 746 G HA3 -0.168 3.800 3.960 0.013 0.000 0.239 746 G C 0.224 175.120 174.900 -0.006 0.000 0.982 746 G CA -0.073 45.024 45.100 -0.005 0.000 0.650 746 G HN 0.967 nan 8.290 nan 0.000 0.527 747 A N -0.042 122.773 122.820 -0.008 0.000 2.286 747 A HA 0.692 5.020 4.320 0.013 0.000 0.286 747 A C 0.482 178.057 177.584 -0.014 0.000 1.097 747 A CA 0.381 52.411 52.037 -0.012 0.000 0.821 747 A CB 0.631 19.623 19.000 -0.014 0.000 1.076 747 A HN 0.723 nan 8.150 nan 0.000 0.490 748 E N 1.395 121.586 120.200 -0.016 0.000 2.035 748 E HA 0.417 4.775 4.350 0.013 0.000 0.271 748 E C -0.943 175.642 176.600 -0.026 0.000 0.953 748 E CA -0.578 55.812 56.400 -0.017 0.000 0.777 748 E CB 0.627 30.320 29.700 -0.012 0.000 1.104 748 E HN 0.532 nan 8.360 nan 0.000 0.408 749 V N 2.153 122.045 119.914 -0.036 0.000 2.383 749 V HA 0.519 4.647 4.120 0.013 0.000 0.275 749 V C -0.215 175.847 176.094 -0.054 0.000 1.036 749 V CA -0.899 61.367 62.300 -0.056 0.000 0.889 749 V CB 0.960 32.729 31.823 -0.090 0.000 0.985 749 V HN 0.397 nan 8.190 nan 0.000 0.459 750 K N 5.176 125.547 120.400 -0.048 0.000 2.139 750 K HA 0.639 4.967 4.320 0.013 0.000 0.243 750 K C -2.831 173.739 176.600 -0.051 0.000 0.983 750 K CA -2.559 53.705 56.287 -0.037 0.000 0.890 750 K CB 1.155 33.641 32.500 -0.023 0.000 1.090 750 K HN 0.435 nan 8.250 nan 0.000 0.445 751 P HA 0.071 nan 4.420 nan 0.000 0.260 751 P C -0.001 177.264 177.300 -0.059 0.000 1.207 751 P CA 0.947 64.020 63.100 -0.045 0.000 0.780 751 P CB 0.282 31.975 31.700 -0.012 0.000 0.789 752 G N 2.116 110.869 108.800 -0.078 0.000 2.184 752 G HA2 -0.152 3.816 3.960 0.013 0.000 0.206 752 G HA3 -0.152 3.816 3.960 0.013 0.000 0.206 752 G C 0.007 174.866 174.900 -0.069 0.000 0.995 752 G CA -0.496 44.558 45.100 -0.076 0.000 0.651 752 G HN 0.431 nan 8.290 nan 0.000 0.511 753 D N 0.222 120.579 120.400 -0.072 0.000 2.348 753 D HA 0.539 5.187 4.640 0.013 0.000 0.249 753 D C 0.546 176.803 176.300 -0.072 0.000 1.110 753 D CA -0.163 53.799 54.000 -0.063 0.000 0.967 753 D CB 1.043 41.806 40.800 -0.061 0.000 1.139 753 D HN 0.090 nan 8.370 nan 0.000 0.466 754 I N 1.857 122.393 120.570 -0.057 0.000 2.352 754 I HA 0.052 4.230 4.170 0.013 0.000 0.290 754 I C 1.426 177.509 176.117 -0.057 0.000 1.036 754 I CA 0.137 61.405 61.300 -0.053 0.000 1.336 754 I CB 0.667 38.646 38.000 -0.036 0.000 1.407 754 I HN 0.277 nan 8.210 nan 0.000 0.497 755 L N 5.554 126.735 121.223 -0.069 0.000 2.168 755 L HA 0.232 4.580 4.340 0.013 0.000 0.203 755 L C 0.099 176.951 176.870 -0.030 0.000 1.078 755 L CA 0.740 55.539 54.840 -0.068 0.000 0.780 755 L CB 0.254 42.248 42.059 -0.109 0.000 0.939 755 L HN 0.359 nan 8.230 nan 0.000 0.451 756 V N -1.107 118.794 119.914 -0.020 0.000 2.969 756 V HA 0.542 4.670 4.120 0.013 0.000 0.304 756 V C -0.178 175.912 176.094 -0.006 0.000 1.192 756 V CA -0.770 61.527 62.300 -0.004 0.000 0.962 756 V CB 1.738 33.568 31.823 0.012 0.000 1.045 756 V HN 0.104 nan 8.190 nan 0.000 0.428 757 G N 2.330 111.128 108.800 -0.003 0.000 2.410 757 G HA2 0.822 4.790 3.960 0.013 0.000 0.330 757 G HA3 0.822 4.790 3.960 0.013 0.000 0.330 757 G C -0.865 174.037 174.900 0.003 0.000 1.142 757 G CA -0.551 44.547 45.100 -0.003 0.000 0.902 757 G HN 0.800 nan 8.290 nan 0.000 0.491 758 R N -0.599 119.903 120.500 0.003 0.000 2.663 758 R HA 0.600 4.948 4.340 0.013 0.000 0.267 758 R C -1.380 174.925 176.300 0.008 0.000 1.038 758 R CA -0.581 55.524 56.100 0.008 0.000 0.886 758 R CB 1.804 32.110 30.300 0.010 0.000 1.249 758 R HN 0.715 nan 8.270 nan 0.000 0.463 759 T N -0.045 114.518 114.554 0.015 0.000 2.881 759 T HA 0.607 4.965 4.350 0.013 0.000 0.290 759 T C -0.653 174.066 174.700 0.033 0.000 1.000 759 T CA -0.737 61.374 62.100 0.018 0.000 0.978 759 T CB 1.583 70.462 68.868 0.018 0.000 0.997 759 T HN 0.629 nan 8.240 nan 0.000 0.443 760 S N 2.415 118.136 115.700 0.036 0.000 2.627 760 S HA 0.747 5.225 4.470 0.013 0.000 0.283 760 S C -0.706 173.950 174.600 0.093 0.000 1.127 760 S CA -1.114 57.130 58.200 0.074 0.000 0.863 760 S CB 1.399 64.639 63.200 0.066 0.000 1.121 760 S HN 0.768 nan 8.310 nan 0.000 0.479 761 F N 3.130 123.081 119.950 0.000 0.000 2.563 761 F HA 0.319 4.854 4.527 0.013 0.000 0.363 761 F C 1.014 176.814 175.800 0.000 0.000 1.123 761 F CA 0.070 58.071 58.000 0.001 0.000 1.307 761 F CB 0.517 39.518 39.000 0.002 0.000 1.115 761 F HN 0.992 nan 8.300 nan 0.000 0.592 787 D N 3.105 123.488 120.400 -0.028 0.000 2.352 787 D HA 0.090 4.738 4.640 0.013 0.000 0.245 787 D C -1.014 175.266 176.300 -0.033 0.000 1.224 787 D CA 0.376 54.360 54.000 -0.026 0.000 0.879 787 D CB 0.691 41.473 40.800 -0.030 0.000 1.057 787 D HN 0.520 nan 8.370 nan 0.000 0.491 788 T N 0.688 115.231 114.554 -0.019 0.000 2.912 788 T HA 0.505 4.863 4.350 0.013 0.000 0.326 788 T C -0.499 174.194 174.700 -0.012 0.000 1.080 788 T CA -0.834 61.256 62.100 -0.017 0.000 1.000 788 T CB 0.848 69.713 68.868 -0.004 0.000 1.008 788 T HN 0.085 nan 8.240 nan 0.000 0.473 789 S N 2.787 118.476 115.700 -0.020 0.000 2.538 789 S HA 0.506 4.984 4.470 0.013 0.000 0.288 789 S C -0.454 174.136 174.600 -0.018 0.000 1.108 789 S CA -0.907 57.283 58.200 -0.016 0.000 0.971 789 S CB 1.555 64.743 63.200 -0.020 0.000 1.041 789 S HN 0.854 nan 8.310 nan 0.000 0.483 790 L N 4.504 125.723 121.223 -0.007 0.000 2.597 790 L HA 0.225 4.573 4.340 0.013 0.000 0.271 790 L C 0.189 177.040 176.870 -0.032 0.000 1.157 790 L CA 0.976 55.814 54.840 -0.003 0.000 0.928 790 L CB -0.303 41.766 42.059 0.018 0.000 1.216 790 L HN 0.590 nan 8.230 nan 0.000 0.481 791 R N 2.927 123.400 120.500 -0.045 0.000 2.797 791 R HA 0.593 4.941 4.340 0.013 0.000 0.251 791 R C -0.941 175.287 176.300 -0.121 0.000 1.107 791 R CA -1.245 54.808 56.100 -0.078 0.000 1.084 791 R CB 1.336 31.592 30.300 -0.073 0.000 1.205 791 R HN 0.373 nan 8.270 nan 0.000 0.515 792 V N 3.570 123.390 119.914 -0.156 0.000 2.397 792 V HA 0.110 4.238 4.120 0.013 0.000 0.262 792 V C -2.067 173.950 176.094 -0.128 0.000 1.047 792 V CA -1.372 60.792 62.300 -0.226 0.000 1.003 792 V CB 0.317 32.026 31.823 -0.191 0.000 1.037 792 V HN 0.569 nan 8.190 nan 0.000 0.480 793 P HA 0.165 nan 4.420 nan 0.000 0.265 793 P C -2.480 174.817 177.300 -0.006 0.000 1.193 793 P CA -1.002 62.103 63.100 0.007 0.000 0.765 793 P CB -0.128 31.666 31.700 0.157 0.000 0.823 794 P HA 0.067 nan 4.420 nan 0.000 0.263 794 P C 0.862 178.245 177.300 0.138 0.000 1.175 794 P CA 1.517 64.559 63.100 -0.097 0.000 0.761 794 P CB 0.141 31.516 31.700 -0.542 0.000 0.794 795 G N 1.840 110.763 108.800 0.204 0.000 1.844 795 G HA2 -0.061 3.907 3.960 0.013 0.000 0.177 795 G HA3 -0.061 3.907 3.960 0.013 0.000 0.177 795 G C -0.905 174.076 174.900 0.135 0.000 1.010 795 G CA -0.339 44.901 45.100 0.232 0.000 1.257 795 G HN 0.526 nan 8.290 nan 0.000 0.428 796 E N -0.728 119.545 120.200 0.121 0.000 2.437 796 E HA 0.545 4.903 4.350 0.013 0.000 0.280 796 E C 0.331 176.975 176.600 0.074 0.000 1.044 796 E CA 0.010 56.456 56.400 0.077 0.000 0.826 796 E CB 1.479 31.221 29.700 0.069 0.000 1.358 796 E HN 0.839 nan 8.360 nan 0.000 0.459 797 G N -0.529 108.283 108.800 0.019 0.000 2.477 797 G HA2 0.623 4.591 3.960 0.013 0.000 0.197 797 G HA3 0.623 4.591 3.960 0.013 0.000 0.197 797 G C 0.442 175.354 174.900 0.020 0.000 1.860 797 G CA 0.811 45.898 45.100 -0.021 0.000 0.714 797 G HN 0.890 nan 8.290 nan 0.000 0.782 798 G N -0.414 108.383 108.800 -0.005 0.000 2.253 798 G HA2 0.152 4.120 3.960 0.013 0.000 0.190 798 G HA3 0.152 4.120 3.960 0.013 0.000 0.190 798 G C -1.209 173.688 174.900 -0.005 0.000 1.274 798 G CA -0.128 44.976 45.100 0.006 0.000 1.275 798 G HN 0.778 nan 8.290 nan 0.000 0.518 799 I N 1.958 122.528 120.570 0.000 0.000 2.354 799 I HA 0.520 4.698 4.170 0.013 0.000 0.292 799 I C 0.797 176.918 176.117 0.006 0.000 0.989 799 I CA -1.203 60.094 61.300 -0.005 0.000 1.188 799 I CB 0.829 38.821 38.000 -0.012 0.000 1.342 799 I HN 0.407 nan 8.210 nan 0.000 0.457 800 V N 6.700 126.617 119.914 0.005 0.000 2.521 800 V HA 0.116 4.244 4.120 0.013 0.000 0.286 800 V C 1.213 177.318 176.094 0.019 0.000 1.034 800 V CA -0.207 62.106 62.300 0.022 0.000 1.045 800 V CB 1.052 32.882 31.823 0.011 0.000 0.974 800 V HN 0.724 nan 8.190 nan 0.000 0.480 801 V N 1.543 121.479 119.914 0.037 0.000 3.572 801 V HA 0.454 4.582 4.120 0.013 0.000 0.260 801 V C 0.628 176.716 176.094 -0.011 0.000 1.324 801 V CA 0.202 62.509 62.300 0.012 0.000 1.068 801 V CB -0.031 31.794 31.823 0.005 0.000 0.837 801 V HN 0.810 nan 8.190 nan 0.000 0.450 802 R N 0.729 121.221 120.500 -0.013 0.000 2.707 802 R HA 0.648 4.996 4.340 0.013 0.000 0.272 802 R C -1.589 174.648 176.300 -0.105 0.000 1.011 802 R CA 0.395 56.419 56.100 -0.126 0.000 0.893 802 R CB 2.382 32.498 30.300 -0.306 0.000 1.233 802 R HN 0.434 nan 8.270 nan 0.000 0.464 803 T N -0.361 114.116 114.554 -0.129 0.000 2.933 803 T HA 0.573 4.931 4.350 0.013 0.000 0.305 803 T C -1.025 173.618 174.700 -0.094 0.000 1.092 803 T CA -0.745 61.315 62.100 -0.065 0.000 1.008 803 T CB 1.892 70.749 68.868 -0.019 0.000 1.102 803 T HN 0.216 nan 8.240 nan 0.000 0.469 804 V N 2.086 121.970 119.914 -0.050 0.000 2.577 804 V HA 0.710 4.838 4.120 0.013 0.000 0.303 804 V C -0.247 175.845 176.094 -0.003 0.000 1.042 804 V CA -0.852 61.422 62.300 -0.043 0.000 0.872 804 V CB 1.777 33.570 31.823 -0.050 0.000 0.998 804 V HN 0.942 nan 8.190 nan 0.000 0.423 805 R N 4.343 124.837 120.500 -0.009 0.000 2.561 805 R HA 0.671 5.019 4.340 0.013 0.000 0.297 805 R C -1.770 174.528 176.300 -0.004 0.000 0.969 805 R CA -0.714 55.386 56.100 0.001 0.000 0.879 805 R CB 1.891 32.191 30.300 0.000 0.000 1.178 805 R HN 0.739 nan 8.270 nan 0.000 0.445 806 L N 6.321 127.545 121.223 0.000 0.000 2.337 806 L HA 0.470 4.818 4.340 0.013 0.000 0.269 806 L C 0.641 177.511 176.870 -0.000 0.000 1.018 806 L CA -0.729 54.108 54.840 -0.004 0.000 0.876 806 L CB 1.121 43.175 42.059 -0.007 0.000 1.236 806 L HN 0.511 nan 8.230 nan 0.000 0.436 807 R N 1.301 121.801 120.500 -0.000 0.000 2.650 807 R HA 0.443 4.791 4.340 0.013 0.000 0.232 807 R C 0.908 177.209 176.300 0.003 0.000 1.247 807 R CA -0.823 55.278 56.100 0.003 0.000 1.061 807 R CB 0.391 30.693 30.300 0.003 0.000 1.279 807 R HN 0.361 nan 8.270 nan 0.000 0.549 808 R N 0.492 120.994 120.500 0.005 0.000 2.401 808 R HA -0.111 4.237 4.340 0.013 0.000 0.198 808 R C 1.425 177.729 176.300 0.006 0.000 0.980 808 R CA 1.495 57.599 56.100 0.006 0.000 0.839 808 R CB -1.339 28.965 30.300 0.007 0.000 0.717 808 R HN 0.787 nan 8.270 nan 0.000 0.464 809 G N 3.669 112.474 108.800 0.008 0.000 2.467 809 G HA2 -0.143 3.825 3.960 0.013 0.000 0.283 809 G HA3 -0.143 3.825 3.960 0.013 0.000 0.283 809 G C -0.563 174.343 174.900 0.010 0.000 0.615 809 G CA 0.182 45.288 45.100 0.010 0.000 2.098 809 G HN 0.311 nan 8.290 nan 0.000 0.546 810 D N 1.675 122.079 120.400 0.006 0.000 2.520 810 D HA 0.016 4.664 4.640 0.013 0.000 0.243 810 D C -0.731 175.574 176.300 0.008 0.000 1.160 810 D CA -0.510 53.489 54.000 -0.002 0.000 0.877 810 D CB 1.407 42.201 40.800 -0.010 0.000 1.150 810 D HN 0.188 nan 8.370 nan 0.000 0.494 811 P HA -0.003 nan 4.420 nan 0.000 0.215 811 P C 0.761 178.103 177.300 0.070 0.000 1.157 811 P CA 0.855 63.980 63.100 0.041 0.000 0.863 811 P CB 0.435 32.157 31.700 0.036 0.000 0.787 812 G N -1.604 107.158 108.800 -0.063 0.000 5.609 812 G HA2 0.264 4.232 3.960 0.013 0.000 0.195 812 G HA3 0.264 4.232 3.960 0.013 0.000 0.195 812 G C -1.119 173.521 174.900 -0.434 0.000 0.749 812 G CA -0.118 44.855 45.100 -0.212 0.000 0.662 812 G HN 0.285 nan 8.290 nan 0.000 0.288 813 V N 0.848 120.634 119.914 -0.214 0.000 2.732 813 V HA 0.711 4.839 4.120 0.013 0.000 0.310 813 V C -0.487 175.546 176.094 -0.101 0.000 1.053 813 V CA -0.959 61.234 62.300 -0.177 0.000 0.957 813 V CB 1.760 33.514 31.823 -0.115 0.000 1.018 813 V HN 0.440 nan 8.190 nan 0.000 0.452 814 E N 5.643 125.793 120.200 -0.083 0.000 2.042 814 E HA 0.344 4.702 4.350 0.013 0.000 0.260 814 E C -1.121 175.465 176.600 -0.022 0.000 0.975 814 E CA -0.686 55.690 56.400 -0.040 0.000 0.799 814 E CB 1.299 30.980 29.700 -0.031 0.000 1.131 814 E HN 0.380 nan 8.360 nan 0.000 0.423 815 L N 3.637 124.851 121.223 -0.014 0.000 2.281 815 L HA 0.171 4.519 4.340 0.013 0.000 0.285 815 L C 0.252 177.123 176.870 0.003 0.000 1.074 815 L CA 0.022 54.859 54.840 -0.005 0.000 0.817 815 L CB 0.598 42.655 42.059 -0.003 0.000 1.168 815 L HN 0.369 nan 8.230 nan 0.000 0.434 816 K N 4.757 125.161 120.400 0.006 0.000 2.344 816 K HA 0.130 4.458 4.320 0.013 0.000 0.260 816 K C -2.218 174.388 176.600 0.010 0.000 0.988 816 K CA -1.245 55.048 56.287 0.010 0.000 0.909 816 K CB -0.335 32.172 32.500 0.012 0.000 0.968 816 K HN 0.390 nan 8.250 nan 0.000 0.505 817 P HA 0.035 nan 4.420 nan 0.000 0.275 817 P C 0.533 177.839 177.300 0.009 0.000 1.227 817 P CA 0.487 63.593 63.100 0.010 0.000 0.781 817 P CB 1.004 32.711 31.700 0.010 0.000 0.906 818 G N 1.332 110.137 108.800 0.008 0.000 2.417 818 G HA2 -0.262 3.706 3.960 0.013 0.000 0.233 818 G HA3 -0.262 3.706 3.960 0.013 0.000 0.233 818 G C 0.141 175.046 174.900 0.009 0.000 1.103 818 G CA 0.015 45.119 45.100 0.007 0.000 0.647 818 G HN 0.527 nan 8.290 nan 0.000 0.512 819 V N 3.438 123.358 119.914 0.010 0.000 2.400 819 V HA 0.192 4.320 4.120 0.013 0.000 0.263 819 V C 1.887 177.987 176.094 0.010 0.000 1.026 819 V CA 1.132 63.439 62.300 0.011 0.000 1.077 819 V CB 0.820 32.649 31.823 0.011 0.000 1.054 819 V HN 0.543 nan 8.190 nan 0.000 0.477 820 R N 4.108 124.614 120.500 0.011 0.000 2.075 820 R HA -0.057 4.291 4.340 0.013 0.000 0.230 820 R C 0.603 176.909 176.300 0.009 0.000 1.140 820 R CA 1.703 57.809 56.100 0.010 0.000 0.928 820 R CB 0.387 30.694 30.300 0.011 0.000 0.834 820 R HN 0.922 nan 8.270 nan 0.000 0.429 821 E N -0.618 119.589 120.200 0.011 0.000 2.412 821 E HA 0.366 4.724 4.350 0.013 0.000 0.279 821 E C -1.188 175.420 176.600 0.014 0.000 0.984 821 E CA -1.023 55.383 56.400 0.010 0.000 0.788 821 E CB 2.001 31.707 29.700 0.010 0.000 1.277 821 E HN 0.043 nan 8.360 nan 0.000 0.455 822 V N -0.964 118.959 119.914 0.014 0.000 2.715 822 V HA 0.830 4.958 4.120 0.013 0.000 0.310 822 V C -0.771 175.339 176.094 0.026 0.000 1.054 822 V CA -0.708 61.605 62.300 0.022 0.000 0.928 822 V CB 1.660 33.497 31.823 0.023 0.000 1.007 822 V HN 0.560 nan 8.190 nan 0.000 0.437 823 V N 4.414 124.350 119.914 0.037 0.000 2.525 823 V HA 0.598 4.726 4.120 0.013 0.000 0.299 823 V C -0.076 176.061 176.094 0.073 0.000 1.034 823 V CA -0.544 61.783 62.300 0.045 0.000 0.863 823 V CB 1.717 33.564 31.823 0.039 0.000 0.999 823 V HN 0.986 nan 8.190 nan 0.000 0.423 824 R N 2.968 123.525 120.500 0.095 0.000 2.445 824 R HA 0.793 5.141 4.340 0.013 0.000 0.308 824 R C -1.476 174.952 176.300 0.213 0.000 0.961 824 R CA -0.561 55.641 56.100 0.169 0.000 0.862 824 R CB 2.259 32.699 30.300 0.233 0.000 1.144 824 R HN 0.522 nan 8.270 nan 0.000 0.447 825 V N 4.812 124.881 119.914 0.258 0.000 2.376 825 V HA 0.287 4.415 4.120 0.013 0.000 0.287 825 V C -1.083 175.231 176.094 0.367 0.000 1.015 825 V CA -0.910 61.547 62.300 0.262 0.000 0.834 825 V CB 1.141 33.052 31.823 0.147 0.000 1.001 825 V HN 0.592 nan 8.190 nan 0.000 0.428 826 Y N 3.734 124.068 120.300 0.057 0.000 2.327 826 Y HA 0.615 5.174 4.550 0.014 0.000 0.336 826 Y C 0.250 176.187 175.900 0.063 0.000 1.035 826 Y CA -0.813 57.322 58.100 0.059 0.000 1.165 826 Y CB 1.627 40.092 38.460 0.008 0.000 1.181 826 Y HN 0.376 nan 8.280 nan 0.000 0.494 827 V N 2.820 122.849 119.914 0.192 0.000 2.680 827 V HA 0.944 5.072 4.120 0.013 0.000 0.309 827 V C -0.274 175.884 176.094 0.107 0.000 1.052 827 V CA -0.987 61.396 62.300 0.137 0.000 0.908 827 V CB 1.669 33.573 31.823 0.134 0.000 1.001 827 V HN 0.858 nan 8.190 nan 0.000 0.431 828 A N 3.458 126.316 122.820 0.062 0.000 2.566 828 A HA 0.993 5.321 4.320 0.013 0.000 0.292 828 A C -1.167 176.435 177.584 0.030 0.000 1.112 828 A CA -0.555 51.506 52.037 0.041 0.000 0.707 828 A CB 2.437 21.431 19.000 -0.010 0.000 1.302 828 A HN 0.866 nan 8.150 nan 0.000 0.409 829 Q N 0.531 120.354 119.800 0.039 0.000 2.575 829 Q HA 0.438 4.785 4.340 0.013 0.000 0.290 829 Q C -1.802 174.218 176.000 0.032 0.000 0.963 829 Q CA -0.814 55.007 55.803 0.030 0.000 0.783 829 Q CB 1.270 30.034 28.738 0.043 0.000 1.467 829 Q HN 0.605 nan 8.270 nan 0.000 0.402 830 K N 1.390 121.802 120.400 0.020 0.000 2.248 830 K HA 0.340 4.668 4.320 0.013 0.000 0.281 830 K C -0.540 176.078 176.600 0.029 0.000 1.054 830 K CA -0.558 55.743 56.287 0.024 0.000 0.903 830 K CB 0.841 33.352 32.500 0.017 0.000 1.077 830 K HN 0.391 nan 8.250 nan 0.000 0.474 831 R N 4.058 124.578 120.500 0.034 0.000 2.296 831 R HA 0.156 4.504 4.340 0.013 0.000 0.327 831 R C -0.287 176.033 176.300 0.033 0.000 1.137 831 R CA -0.245 55.864 56.100 0.015 0.000 1.020 831 R CB 0.491 30.781 30.300 -0.016 0.000 1.110 831 R HN 0.386 nan 8.270 nan 0.000 0.499 832 K N 1.659 122.080 120.400 0.034 0.000 2.144 832 K HA 0.212 4.540 4.320 0.013 0.000 0.270 832 K C 0.075 176.705 176.600 0.051 0.000 1.005 832 K CA -0.930 55.389 56.287 0.054 0.000 0.932 832 K CB 1.001 33.527 32.500 0.043 0.000 1.021 832 K HN 0.095 nan 8.250 nan 0.000 0.462 833 L N 3.531 124.803 121.223 0.083 0.000 2.455 833 L HA -0.027 4.321 4.340 0.013 0.000 0.272 833 L C -0.084 176.798 176.870 0.020 0.000 1.174 833 L CA 0.913 55.794 54.840 0.067 0.000 0.869 833 L CB 0.046 42.166 42.059 0.101 0.000 1.130 833 L HN 0.665 nan 8.230 nan 0.000 0.474 834 Q N 2.614 122.417 119.800 0.005 0.000 2.587 834 Q HA 0.369 4.717 4.340 0.013 0.000 0.293 834 Q C 0.384 176.375 176.000 -0.016 0.000 1.083 834 Q CA -0.805 54.992 55.803 -0.011 0.000 0.792 834 Q CB 1.153 29.884 28.738 -0.012 0.000 1.484 834 Q HN 0.246 nan 8.270 nan 0.000 0.446 835 V N 1.407 121.310 119.914 -0.019 0.000 2.317 835 V HA -0.263 3.865 4.120 0.013 0.000 0.251 835 V C 1.719 177.810 176.094 -0.005 0.000 1.065 835 V CA 3.006 65.297 62.300 -0.014 0.000 1.049 835 V CB -0.881 30.935 31.823 -0.011 0.000 0.651 835 V HN 0.957 nan 8.190 nan 0.000 0.450 836 G N -1.289 107.505 108.800 -0.010 0.000 2.403 836 G HA2 -0.138 3.830 3.960 0.013 0.000 0.216 836 G HA3 -0.138 3.830 3.960 0.013 0.000 0.216 836 G C 0.418 175.318 174.900 0.001 0.000 1.154 836 G CA 0.471 45.566 45.100 -0.009 0.000 0.784 836 G HN 0.580 nan 8.290 nan 0.000 0.538 837 D N 0.471 120.870 120.400 -0.002 0.000 2.515 837 D HA 0.282 4.930 4.640 0.013 0.000 0.232 837 D C 0.599 176.915 176.300 0.028 0.000 1.157 837 D CA 0.692 54.700 54.000 0.013 0.000 0.871 837 D CB 0.638 41.448 40.800 0.016 0.000 1.200 837 D HN 0.530 nan 8.370 nan 0.000 0.466 838 K N 1.825 122.252 120.400 0.044 0.000 2.376 838 K HA 0.597 4.925 4.320 0.013 0.000 0.257 838 K C -0.982 175.636 176.600 0.029 0.000 0.939 838 K CA -0.843 55.460 56.287 0.027 0.000 0.809 838 K CB 0.953 33.456 32.500 0.006 0.000 1.121 838 K HN 0.390 nan 8.250 nan 0.000 0.425 839 L N 0.609 121.847 121.223 0.026 0.000 2.271 839 L HA 0.995 5.343 4.340 0.013 0.000 0.265 839 L C -0.499 176.379 176.870 0.014 0.000 1.013 839 L CA -1.420 53.444 54.840 0.039 0.000 0.820 839 L CB 1.853 43.952 42.059 0.066 0.000 1.352 839 L HN 0.885 nan 8.230 nan 0.000 0.443 840 A N 0.590 123.417 122.820 0.010 0.000 2.586 840 A HA 0.477 4.805 4.320 0.013 0.000 0.296 840 A C -1.575 176.007 177.584 -0.003 0.000 1.040 840 A CA -0.785 51.255 52.037 0.005 0.000 0.701 840 A CB 1.087 20.086 19.000 -0.001 0.000 1.277 840 A HN 0.848 nan 8.150 nan 0.000 0.413 841 N N 0.557 119.273 118.700 0.026 0.000 2.463 841 N HA 0.328 5.076 4.740 0.013 0.000 0.270 841 N C 0.399 175.932 175.510 0.039 0.000 1.205 841 N CA -0.618 52.461 53.050 0.049 0.000 0.974 841 N CB 0.588 39.150 38.487 0.124 0.000 1.197 841 N HN 0.662 nan 8.380 nan 0.000 0.504 842 R N -0.739 119.771 120.500 0.017 0.000 2.355 842 R HA -0.065 4.283 4.340 0.013 0.000 0.219 842 R C 0.847 177.039 176.300 -0.180 0.000 1.107 842 R CA 0.974 57.026 56.100 -0.081 0.000 1.021 842 R CB -0.285 29.949 30.300 -0.110 0.000 0.852 842 R HN 0.593 nan 8.270 nan 0.000 0.475 843 H N -2.005 117.097 119.070 0.053 0.000 2.520 843 H HA 0.158 4.721 4.556 0.013 0.000 0.279 843 H C 1.518 176.856 175.328 0.017 0.000 0.990 843 H CA 1.373 57.443 56.048 0.036 0.000 1.288 843 H CB 1.109 30.901 29.762 0.049 0.000 1.446 843 H HN 0.461 nan 8.280 nan 0.000 0.538 844 G N 0.516 109.385 108.800 0.115 0.000 2.613 844 G HA2 -0.221 3.747 3.960 0.013 0.000 0.199 844 G HA3 -0.221 3.747 3.960 0.013 0.000 0.199 844 G C 0.049 174.977 174.900 0.047 0.000 0.991 844 G CA -0.411 44.726 45.100 0.061 0.000 0.756 844 G HN 0.196 nan 8.290 nan 0.000 0.515 845 N N 1.293 120.030 118.700 0.062 0.000 2.406 845 N HA 0.321 5.069 4.740 0.013 0.000 0.265 845 N C -0.143 175.380 175.510 0.022 0.000 1.203 845 N CA 0.449 53.521 53.050 0.036 0.000 0.945 845 N CB 0.707 39.219 38.487 0.042 0.000 1.165 845 N HN 0.491 nan 8.380 nan 0.000 0.485 846 K N 1.449 121.852 120.400 0.006 0.000 2.208 846 K HA 0.753 5.081 4.320 0.013 0.000 0.247 846 K C -0.363 176.233 176.600 -0.007 0.000 0.953 846 K CA -0.764 55.519 56.287 -0.006 0.000 0.837 846 K CB 1.303 33.791 32.500 -0.019 0.000 1.131 846 K HN 0.576 nan 8.250 nan 0.000 0.431 847 G N 0.537 109.333 108.800 -0.007 0.000 2.466 847 G HA2 0.383 4.351 3.960 0.013 0.000 0.291 847 G HA3 0.383 4.351 3.960 0.013 0.000 0.291 847 G C -1.829 173.074 174.900 0.004 0.000 1.460 847 G CA -0.696 44.404 45.100 0.000 0.000 0.791 847 G HN 0.427 nan 8.290 nan 0.000 0.505 848 V N -0.118 119.805 119.914 0.015 0.000 2.732 848 V HA 0.575 4.703 4.120 0.013 0.000 0.310 848 V C 0.477 176.582 176.094 0.018 0.000 1.053 848 V CA -0.894 61.417 62.300 0.019 0.000 0.957 848 V CB 1.877 33.718 31.823 0.029 0.000 1.018 848 V HN 0.649 nan 8.190 nan 0.000 0.452 849 V N 3.120 123.038 119.914 0.007 0.000 2.479 849 V HA 0.251 4.379 4.120 0.013 0.000 0.281 849 V C 1.106 177.208 176.094 0.012 0.000 1.031 849 V CA 0.987 63.283 62.300 -0.008 0.000 1.038 849 V CB 0.683 32.488 31.823 -0.029 0.000 0.981 849 V HN 1.120 nan 8.190 nan 0.000 0.478 850 A N 5.457 128.296 122.820 0.032 0.000 1.956 850 A HA 0.277 4.605 4.320 0.013 0.000 0.212 850 A C 0.980 178.595 177.584 0.051 0.000 1.188 850 A CA 0.506 52.593 52.037 0.082 0.000 0.675 850 A CB 0.219 19.322 19.000 0.172 0.000 0.845 850 A HN 0.650 nan 8.150 nan 0.000 0.455 851 K N -0.344 120.030 120.400 -0.044 0.000 2.550 851 K HA 0.575 4.903 4.320 0.013 0.000 0.252 851 K C -1.854 174.630 176.600 -0.193 0.000 0.943 851 K CA -0.409 55.775 56.287 -0.171 0.000 0.806 851 K CB 1.366 33.586 32.500 -0.467 0.000 1.289 851 K HN 0.166 nan 8.250 nan 0.000 0.435 852 I N 5.450 125.923 120.570 -0.162 0.000 2.287 852 I HA 0.206 4.384 4.170 0.013 0.000 0.290 852 I C -0.600 175.418 176.117 -0.165 0.000 1.069 852 I CA -0.891 60.321 61.300 -0.147 0.000 1.237 852 I CB 0.479 38.420 38.000 -0.099 0.000 1.418 852 I HN 0.337 nan 8.210 nan 0.000 0.481 853 L N 9.516 130.619 121.223 -0.200 0.000 2.371 853 L HA 0.397 4.745 4.340 0.013 0.000 0.272 853 L C -1.959 174.838 176.870 -0.122 0.000 1.124 853 L CA -1.708 53.022 54.840 -0.182 0.000 0.816 853 L CB 0.200 42.110 42.059 -0.249 0.000 1.129 853 L HN 0.340 nan 8.230 nan 0.000 0.448 854 P HA -0.005 nan 4.420 nan 0.000 0.276 854 P C 1.010 178.278 177.300 -0.053 0.000 1.243 854 P CA -0.116 62.948 63.100 -0.061 0.000 0.768 854 P CB 1.313 32.988 31.700 -0.041 0.000 0.856 855 V N 4.372 124.250 119.914 -0.060 0.000 2.428 855 V HA -0.349 3.779 4.120 0.013 0.000 0.255 855 V C 2.005 178.079 176.094 -0.034 0.000 1.080 855 V CA 2.514 64.782 62.300 -0.054 0.000 1.083 855 V CB -1.000 30.787 31.823 -0.061 0.000 0.665 855 V HN 0.600 nan 8.190 nan 0.000 0.461 856 E N 1.321 121.502 120.200 -0.031 0.000 2.082 856 E HA -0.280 4.078 4.350 0.013 0.000 0.215 856 E C 1.220 177.822 176.600 0.003 0.000 1.048 856 E CA 1.816 58.202 56.400 -0.023 0.000 0.869 856 E CB -0.494 29.197 29.700 -0.014 0.000 0.773 856 E HN 0.944 nan 8.360 nan 0.000 0.466 857 D N 0.135 120.555 120.400 0.033 0.000 2.755 857 D HA 0.144 4.792 4.640 0.013 0.000 0.257 857 D C 0.094 176.483 176.300 0.148 0.000 1.291 857 D CA -0.291 53.764 54.000 0.092 0.000 0.836 857 D CB -0.414 40.445 40.800 0.098 0.000 1.059 857 D HN 0.247 nan 8.370 nan 0.000 0.486 858 M N -2.466 117.197 119.600 0.105 0.000 2.537 858 M HA 0.666 5.154 4.480 0.013 0.000 0.324 858 M C -2.604 173.797 176.300 0.169 0.000 1.187 858 M CA -2.119 53.250 55.300 0.115 0.000 0.993 858 M CB 1.584 34.163 32.600 -0.036 0.000 1.666 858 M HN -0.423 nan 8.290 nan 0.000 0.461 859 P HA -0.153 nan 4.420 nan 0.000 0.235 859 P C -1.339 176.044 177.300 0.139 0.000 1.068 859 P CA 1.026 64.224 63.100 0.163 0.000 0.934 859 P CB -0.595 31.189 31.700 0.140 0.000 0.863 860 H N 3.004 122.124 119.070 0.082 0.000 2.533 860 H HA 0.468 5.032 4.556 0.013 0.000 0.343 860 H C -0.406 174.965 175.328 0.071 0.000 1.160 860 H CA -1.304 54.769 56.048 0.042 0.000 1.218 860 H CB 1.089 30.849 29.762 -0.003 0.000 1.566 860 H HN 0.201 nan 8.280 nan 0.000 0.522 861 L N 2.589 123.870 121.223 0.096 0.000 2.456 861 L HA 0.201 4.549 4.340 0.013 0.000 0.257 861 L C -1.488 175.440 176.870 0.096 0.000 1.162 861 L CA -1.802 53.094 54.840 0.094 0.000 0.808 861 L CB 0.907 43.030 42.059 0.107 0.000 1.136 861 L HN 0.389 nan 8.230 nan 0.000 0.466 862 P HA -0.204 nan 4.420 nan 0.000 0.217 862 P C -0.850 176.498 177.300 0.081 0.000 1.162 862 P CA 1.453 64.621 63.100 0.112 0.000 0.901 862 P CB -0.175 31.754 31.700 0.382 0.000 0.793 863 D N -1.603 118.929 120.400 0.221 0.000 2.345 863 D HA 0.132 4.780 4.640 0.013 0.000 0.247 863 D C 1.628 178.006 176.300 0.129 0.000 1.108 863 D CA 0.023 54.127 54.000 0.173 0.000 0.894 863 D CB 0.251 41.221 40.800 0.284 0.000 1.203 863 D HN 0.029 nan 8.370 nan 0.000 0.430 864 G N 2.457 111.291 108.800 0.057 0.000 2.773 864 G HA2 -0.311 3.657 3.960 0.013 0.000 0.224 864 G HA3 -0.311 3.657 3.960 0.013 0.000 0.224 864 G C 0.961 175.891 174.900 0.050 0.000 1.078 864 G CA 1.309 46.419 45.100 0.017 0.000 0.724 864 G HN 0.716 nan 8.290 nan 0.000 0.620 865 T N 2.505 117.111 114.554 0.088 0.000 2.758 865 T HA 0.359 4.717 4.350 0.013 0.000 0.281 865 T C -2.166 172.575 174.700 0.069 0.000 0.963 865 T CA -1.237 60.905 62.100 0.069 0.000 1.201 865 T CB 0.857 69.771 68.868 0.078 0.000 0.906 865 T HN 0.050 nan 8.240 nan 0.000 0.528 866 P HA 0.374 nan 4.420 nan 0.000 0.281 866 P C -0.408 176.884 177.300 -0.014 0.000 1.264 866 P CA -0.788 62.343 63.100 0.051 0.000 0.824 866 P CB 0.678 32.391 31.700 0.022 0.000 1.092 867 V N -1.475 118.429 119.914 -0.016 0.000 3.170 867 V HA 0.307 4.435 4.120 0.013 0.000 0.309 867 V C 0.354 176.398 176.094 -0.082 0.000 1.071 867 V CA 0.151 62.418 62.300 -0.054 0.000 1.063 867 V CB 0.530 32.334 31.823 -0.032 0.000 1.123 867 V HN 0.389 nan 8.190 nan 0.000 0.464 868 D N 0.253 120.598 120.400 -0.093 0.000 2.369 868 D HA 0.252 4.900 4.640 0.013 0.000 0.231 868 D C 0.343 176.564 176.300 -0.132 0.000 0.967 868 D CA 0.980 54.906 54.000 -0.124 0.000 0.905 868 D CB 0.693 41.426 40.800 -0.112 0.000 1.044 868 D HN 0.546 nan 8.370 nan 0.000 0.487 869 V N 1.074 120.927 119.914 -0.102 0.000 2.876 869 V HA 0.448 4.576 4.120 0.013 0.000 0.312 869 V C -1.873 174.175 176.094 -0.078 0.000 1.085 869 V CA -0.964 61.271 62.300 -0.108 0.000 0.945 869 V CB 1.990 33.755 31.823 -0.096 0.000 1.017 869 V HN 0.038 nan 8.190 nan 0.000 0.428 870 I N 5.978 126.494 120.570 -0.089 0.000 2.390 870 I HA 0.451 4.629 4.170 0.013 0.000 0.283 870 I C -0.413 175.700 176.117 -0.007 0.000 1.016 870 I CA -0.553 60.723 61.300 -0.041 0.000 1.151 870 I CB 0.772 38.739 38.000 -0.055 0.000 1.293 870 I HN 0.471 nan 8.210 nan 0.000 0.458 871 L N 4.721 125.950 121.223 0.010 0.000 2.326 871 L HA 0.309 4.657 4.340 0.013 0.000 0.278 871 L C 0.599 177.489 176.870 0.033 0.000 1.092 871 L CA -0.370 54.480 54.840 0.018 0.000 0.810 871 L CB 0.825 42.891 42.059 0.013 0.000 1.153 871 L HN 0.555 nan 8.230 nan 0.000 0.439 872 N N 3.841 122.561 118.700 0.034 0.000 2.452 872 N HA 0.114 4.862 4.740 0.013 0.000 0.266 872 N C -1.835 173.682 175.510 0.012 0.000 1.175 872 N CA -1.132 51.940 53.050 0.037 0.000 0.945 872 N CB 1.167 39.673 38.487 0.031 0.000 1.063 872 N HN 0.245 nan 8.380 nan 0.000 0.472 873 P HA -0.177 nan 4.420 nan 0.000 0.215 873 P C 1.233 178.524 177.300 -0.016 0.000 1.157 873 P CA 1.206 64.305 63.100 -0.000 0.000 0.874 873 P CB 0.130 31.834 31.700 0.006 0.000 0.790 874 L N -1.436 119.775 121.223 -0.021 0.000 2.270 874 L HA -0.172 4.176 4.340 0.013 0.000 0.217 874 L C 2.299 179.140 176.870 -0.049 0.000 1.107 874 L CA 1.634 56.451 54.840 -0.039 0.000 0.772 874 L CB -1.335 40.690 42.059 -0.057 0.000 0.902 874 L HN 0.108 nan 8.230 nan 0.000 0.439 875 G N -1.528 107.246 108.800 -0.044 0.000 2.920 875 G HA2 0.098 4.066 3.960 0.013 0.000 0.208 875 G HA3 0.098 4.066 3.960 0.013 0.000 0.208 875 G C 1.337 176.218 174.900 -0.031 0.000 1.159 875 G CA 0.276 45.350 45.100 -0.043 0.000 0.784 875 G HN 0.224 nan 8.290 nan 0.000 0.535 876 V N 1.301 121.196 119.914 -0.031 0.000 2.672 876 V HA 0.031 4.159 4.120 0.013 0.000 0.242 876 V C 0.237 176.312 176.094 -0.031 0.000 1.059 876 V CA 1.027 63.308 62.300 -0.032 0.000 1.081 876 V CB -0.150 31.648 31.823 -0.041 0.000 0.752 876 V HN 0.172 nan 8.190 nan 0.000 0.472 877 P HA -0.137 nan 4.420 nan 0.000 0.212 877 P C 2.000 179.286 177.300 -0.022 0.000 1.180 877 P CA 2.421 65.505 63.100 -0.027 0.000 0.906 877 P CB -0.278 31.407 31.700 -0.026 0.000 0.782 878 S N 0.991 116.676 115.700 -0.024 0.000 2.377 878 S HA -0.196 4.282 4.470 0.013 0.000 0.224 878 S C 1.286 175.877 174.600 -0.014 0.000 1.042 878 S CA 0.881 59.069 58.200 -0.020 0.000 1.086 878 S CB -1.544 61.639 63.200 -0.027 0.000 0.995 878 S HN 0.156 nan 8.310 nan 0.000 0.428 879 R N 0.984 121.475 120.500 -0.015 0.000 2.594 879 R HA 0.398 4.746 4.340 0.013 0.000 0.272 879 R C -0.405 175.891 176.300 -0.006 0.000 1.074 879 R CA 0.225 56.320 56.100 -0.007 0.000 1.105 879 R CB 0.118 30.414 30.300 -0.006 0.000 1.008 879 R HN 0.381 nan 8.270 nan 0.000 0.472 880 M N 3.572 123.173 119.600 0.002 0.000 2.385 880 M HA 0.175 4.663 4.480 0.013 0.000 0.346 880 M C -0.830 175.475 176.300 0.009 0.000 1.180 880 M CA -0.270 55.032 55.300 0.003 0.000 1.154 880 M CB 0.354 32.961 32.600 0.011 0.000 1.251 880 M HN 0.607 nan 8.290 nan 0.000 0.430 881 N N 1.812 120.506 118.700 -0.010 0.000 2.752 881 N HA 0.255 5.003 4.740 0.013 0.000 0.260 881 N C 0.164 175.615 175.510 -0.099 0.000 1.562 881 N CA -0.487 52.551 53.050 -0.021 0.000 0.788 881 N CB 0.395 38.888 38.487 0.011 0.000 1.192 881 N HN 0.462 nan 8.380 nan 0.000 0.503 882 L N 0.058 121.233 121.223 -0.079 0.000 2.079 882 L HA -0.103 4.245 4.340 0.013 0.000 0.210 882 L C 2.579 179.307 176.870 -0.237 0.000 1.081 882 L CA 1.685 56.439 54.840 -0.142 0.000 0.752 882 L CB -0.623 41.365 42.059 -0.118 0.000 0.896 882 L HN 0.706 nan 8.230 nan 0.000 0.433 883 G N 0.526 109.205 108.800 -0.201 0.000 2.656 883 G HA2 -0.365 3.603 3.960 0.013 0.000 0.223 883 G HA3 -0.365 3.603 3.960 0.013 0.000 0.223 883 G C 1.428 175.883 174.900 -0.741 0.000 1.130 883 G CA 1.374 46.273 45.100 -0.336 0.000 0.758 883 G HN 0.612 nan 8.290 nan 0.000 0.608 884 Q N -0.176 119.084 119.800 -0.899 0.000 2.046 884 Q HA 0.037 4.385 4.340 0.013 0.000 0.200 884 Q C 2.458 178.326 176.000 -0.220 0.000 0.975 884 Q CA 1.112 56.678 55.803 -0.396 0.000 0.836 884 Q CB -0.351 28.309 28.738 -0.130 0.000 0.896 884 Q HN 0.405 nan 8.270 nan 0.000 0.428 885 I N 0.603 121.003 120.570 -0.283 0.000 2.567 885 I HA -0.174 4.004 4.170 0.013 0.000 0.257 885 I C 2.043 177.783 176.117 -0.628 0.000 1.184 885 I CA 0.821 61.889 61.300 -0.388 0.000 1.451 885 I CB -0.761 37.039 38.000 -0.333 0.000 1.089 885 I HN 0.240 nan 8.210 nan 0.000 0.441 886 L N 0.898 121.854 121.223 -0.446 0.000 2.022 886 L HA -0.144 4.204 4.340 0.013 0.000 0.204 886 L C 2.608 179.402 176.870 -0.127 0.000 1.076 886 L CA 1.796 56.354 54.840 -0.469 0.000 0.749 886 L CB -0.914 40.719 42.059 -0.709 0.000 0.903 886 L HN 0.248 nan 8.230 nan 0.000 0.439 887 E N -1.308 119.012 120.200 0.202 0.000 2.136 887 E HA -0.310 4.048 4.350 0.013 0.000 0.202 887 E C 1.765 178.464 176.600 0.166 0.000 1.019 887 E CA 2.189 58.788 56.400 0.331 0.000 0.819 887 E CB -0.085 29.839 29.700 0.374 0.000 0.739 887 E HN 0.518 nan 8.360 nan 0.000 0.458 888 T N 0.060 114.639 114.554 0.041 0.000 2.821 888 T HA -0.135 4.223 4.350 0.013 0.000 0.267 888 T C 1.370 176.134 174.700 0.107 0.000 1.046 888 T CA 1.351 63.480 62.100 0.049 0.000 1.139 888 T CB -0.329 68.528 68.868 -0.020 0.000 0.871 888 T HN 0.316 nan 8.240 nan 0.000 0.454 889 H N 0.780 119.836 119.070 -0.024 0.000 2.276 889 H HA 0.106 4.670 4.556 0.013 0.000 0.301 889 H C 2.272 177.571 175.328 -0.048 0.000 1.073 889 H CA 0.843 56.843 56.048 -0.081 0.000 1.311 889 H CB -1.030 28.648 29.762 -0.140 0.000 1.379 889 H HN 0.218 nan 8.280 nan 0.000 0.494 890 L N 0.360 121.648 121.223 0.109 0.000 2.042 890 L HA -0.101 4.247 4.340 0.013 0.000 0.210 890 L C 2.452 179.361 176.870 0.064 0.000 1.076 890 L CA 1.697 56.540 54.840 0.006 0.000 0.749 890 L CB -0.709 41.364 42.059 0.023 0.000 0.893 890 L HN 0.353 nan 8.230 nan 0.000 0.432 891 G N -0.262 108.628 108.800 0.150 0.000 2.462 891 G HA2 -0.301 3.667 3.960 0.013 0.000 0.220 891 G HA3 -0.301 3.667 3.960 0.013 0.000 0.220 891 G C 1.487 176.540 174.900 0.255 0.000 1.121 891 G CA 0.918 46.148 45.100 0.218 0.000 0.758 891 G HN 0.375 nan 8.290 nan 0.000 0.559 892 L N 1.006 122.348 121.223 0.199 0.000 2.109 892 L HA 0.283 4.631 4.340 0.013 0.000 0.207 892 L C 2.999 180.084 176.870 0.359 0.000 1.086 892 L CA 1.844 56.819 54.840 0.225 0.000 0.760 892 L CB -0.569 41.513 42.059 0.039 0.000 0.910 892 L HN 0.205 nan 8.230 nan 0.000 0.437 893 A N -0.504 122.486 122.820 0.284 0.000 1.873 893 A HA -0.050 4.278 4.320 0.013 0.000 0.215 893 A C 2.349 180.234 177.584 0.502 0.000 1.186 893 A CA 1.422 53.687 52.037 0.381 0.000 0.616 893 A CB -1.620 17.543 19.000 0.272 0.000 0.823 893 A HN 0.481 nan 8.150 nan 0.000 0.442 894 G N -1.916 107.206 108.800 0.536 0.000 2.475 894 G HA2 -0.301 3.667 3.960 0.013 0.000 0.220 894 G HA3 -0.301 3.667 3.960 0.013 0.000 0.220 894 G C 1.504 176.631 174.900 0.379 0.000 1.125 894 G CA 1.341 46.774 45.100 0.556 0.000 0.755 894 G HN 0.565 nan 8.290 nan 0.000 0.565 895 Y N 0.402 120.869 120.300 0.278 0.000 2.133 895 Y HA 0.002 4.560 4.550 0.013 0.000 0.287 895 Y C 2.162 178.081 175.900 0.032 0.000 1.134 895 Y CA 1.558 59.728 58.100 0.117 0.000 1.133 895 Y CB -0.177 38.321 38.460 0.062 0.000 0.987 895 Y HN 0.172 nan 8.280 nan 0.000 0.502 896 F N -0.964 119.186 119.950 0.334 0.000 2.743 896 F HA 0.053 4.588 4.527 0.013 0.000 0.297 896 F C 1.636 177.541 175.800 0.176 0.000 1.131 896 F CA 0.543 58.681 58.000 0.230 0.000 1.426 896 F CB -0.113 39.076 39.000 0.314 0.000 1.116 896 F HN 0.005 nan 8.300 nan 0.000 0.583 897 L N -0.784 120.659 121.223 0.368 0.000 2.554 897 L HA 0.298 4.646 4.340 0.013 0.000 0.225 897 L C 1.315 178.269 176.870 0.140 0.000 1.104 897 L CA 0.377 55.376 54.840 0.265 0.000 0.866 897 L CB -0.707 41.548 42.059 0.326 0.000 1.047 897 L HN 0.208 nan 8.230 nan 0.000 0.468 898 G N 2.212 111.069 108.800 0.094 0.000 2.367 898 G HA2 -0.250 3.718 3.960 0.013 0.000 0.295 898 G HA3 -0.250 3.718 3.960 0.013 0.000 0.295 898 G C -0.095 174.802 174.900 -0.005 0.000 1.019 898 G CA 0.513 45.616 45.100 0.005 0.000 1.224 898 G HN 0.605 nan 8.290 nan 0.000 0.510 899 Q N -1.694 118.101 119.800 -0.008 0.000 2.426 899 Q HA 0.727 5.075 4.340 0.013 0.000 0.278 899 Q C -0.599 175.247 176.000 -0.257 0.000 1.007 899 Q CA -1.287 54.408 55.803 -0.179 0.000 0.850 899 Q CB 1.597 30.135 28.738 -0.333 0.000 1.427 899 Q HN 0.244 nan 8.270 nan 0.000 0.391 900 R N 1.021 121.360 120.500 -0.269 0.000 2.540 900 R HA 0.614 4.962 4.340 0.013 0.000 0.287 900 R C -1.279 174.848 176.300 -0.290 0.000 0.980 900 R CA -0.218 55.803 56.100 -0.131 0.000 0.966 900 R CB 1.125 31.402 30.300 -0.039 0.000 1.106 900 R HN 0.568 nan 8.270 nan 0.000 0.480 901 Y N 1.522 121.813 120.300 -0.015 0.000 2.562 901 Y HA 0.531 5.089 4.550 0.013 0.000 0.343 901 Y C -0.035 175.792 175.900 -0.121 0.000 1.025 901 Y CA -1.063 56.998 58.100 -0.066 0.000 1.082 901 Y CB 1.372 39.917 38.460 0.142 0.000 1.264 901 Y HN 0.297 nan 8.280 nan 0.000 0.478 902 I N 1.684 122.231 120.570 -0.039 0.000 2.495 902 I HA 0.234 4.412 4.170 0.013 0.000 0.277 902 I C -0.494 175.628 176.117 0.008 0.000 1.045 902 I CA -0.382 60.865 61.300 -0.087 0.000 1.135 902 I CB 1.275 39.180 38.000 -0.158 0.000 1.241 902 I HN 0.492 nan 8.210 nan 0.000 0.469 903 S N 7.528 123.262 115.700 0.057 0.000 2.423 903 S HA 0.498 4.976 4.470 0.013 0.000 0.317 903 S C -2.382 172.202 174.600 -0.026 0.000 1.065 903 S CA -1.474 56.792 58.200 0.112 0.000 1.111 903 S CB 0.681 63.806 63.200 -0.125 0.000 0.968 903 S HN 0.176 nan 8.310 nan 0.000 0.474 904 P HA 0.018 nan 4.420 nan 0.000 0.269 904 P C 1.360 178.664 177.300 0.008 0.000 1.217 904 P CA -0.452 62.665 63.100 0.028 0.000 0.783 904 P CB 0.379 32.124 31.700 0.076 0.000 0.898 905 I N 0.957 121.517 120.570 -0.017 0.000 2.352 905 I HA -0.298 3.880 4.170 0.013 0.000 0.214 905 I C 2.031 178.102 176.117 -0.076 0.000 0.961 905 I CA 2.258 63.502 61.300 -0.092 0.000 1.290 905 I CB -1.495 36.436 38.000 -0.115 0.000 0.997 905 I HN 0.430 nan 8.210 nan 0.000 0.375 906 F N -0.175 119.827 119.950 0.086 0.000 2.698 906 F HA -0.060 4.475 4.527 0.013 0.000 0.295 906 F C 1.950 177.792 175.800 0.070 0.000 1.124 906 F CA 0.470 58.513 58.000 0.071 0.000 1.426 906 F CB -0.006 39.025 39.000 0.050 0.000 1.120 906 F HN 0.249 nan 8.300 nan 0.000 0.583 907 D N -0.156 120.389 120.400 0.242 0.000 2.349 907 D HA 0.116 4.764 4.640 0.013 0.000 0.214 907 D C 1.686 178.097 176.300 0.185 0.000 1.063 907 D CA 0.323 54.434 54.000 0.184 0.000 0.847 907 D CB -0.011 40.876 40.800 0.145 0.000 0.933 907 D HN 0.103 nan 8.370 nan 0.000 0.513 908 G N 0.392 109.306 108.800 0.190 0.000 2.268 908 G HA2 0.248 4.216 3.960 0.013 0.000 0.330 908 G HA3 0.248 4.216 3.960 0.013 0.000 0.330 908 G C 0.352 175.402 174.900 0.250 0.000 1.413 908 G CA 0.044 45.281 45.100 0.228 0.000 1.094 908 G HN 0.389 nan 8.290 nan 0.000 0.581 909 A N -1.165 121.772 122.820 0.195 0.000 2.466 909 A HA 0.537 4.865 4.320 0.013 0.000 0.238 909 A C 0.390 177.988 177.584 0.023 0.000 1.074 909 A CA 0.523 52.409 52.037 -0.252 0.000 0.774 909 A CB 0.462 19.087 19.000 -0.625 0.000 1.015 909 A HN 0.549 nan 8.150 nan 0.000 0.498 910 K N -0.194 120.139 120.400 -0.112 0.000 2.281 910 K HA 0.343 4.671 4.320 0.013 0.000 0.242 910 K C 0.892 177.422 176.600 -0.118 0.000 0.971 910 K CA -0.344 55.917 56.287 -0.043 0.000 0.834 910 K CB 1.431 33.932 32.500 0.001 0.000 1.181 910 K HN 0.740 nan 8.250 nan 0.000 0.435 911 E N 1.579 121.710 120.200 -0.116 0.000 2.147 911 E HA -0.175 4.183 4.350 0.013 0.000 0.199 911 E C -1.157 175.384 176.600 -0.099 0.000 1.005 911 E CA 1.696 58.013 56.400 -0.139 0.000 0.810 911 E CB -0.219 29.400 29.700 -0.135 0.000 0.736 911 E HN 0.410 nan 8.360 nan 0.000 0.460 912 P HA -0.116 nan 4.420 nan 0.000 0.215 912 P C 0.491 177.769 177.300 -0.037 0.000 1.157 912 P CA 1.298 64.373 63.100 -0.042 0.000 0.859 912 P CB 0.041 31.730 31.700 -0.019 0.000 0.786 913 E N -0.597 119.573 120.200 -0.050 0.000 2.204 913 E HA -0.133 4.225 4.350 0.013 0.000 0.195 913 E C 1.895 178.459 176.600 -0.059 0.000 0.990 913 E CA 0.838 57.215 56.400 -0.039 0.000 0.821 913 E CB -0.555 29.098 29.700 -0.079 0.000 0.750 913 E HN 0.293 nan 8.360 nan 0.000 0.477 914 I N 0.987 121.485 120.570 -0.120 0.000 2.233 914 I HA -0.210 3.968 4.170 0.013 0.000 0.243 914 I C 2.136 178.226 176.117 -0.045 0.000 1.093 914 I CA 0.758 61.993 61.300 -0.110 0.000 1.380 914 I CB -0.223 37.692 38.000 -0.143 0.000 1.067 914 I HN -0.062 nan 8.210 nan 0.000 0.413 915 K N 0.802 121.170 120.400 -0.053 0.000 2.211 915 K HA -0.219 4.109 4.320 0.013 0.000 0.204 915 K C 1.924 178.538 176.600 0.024 0.000 1.047 915 K CA 1.305 57.571 56.287 -0.035 0.000 0.935 915 K CB -0.261 32.209 32.500 -0.051 0.000 0.728 915 K HN 0.308 nan 8.250 nan 0.000 0.452 916 E N 0.848 121.072 120.200 0.039 0.000 2.072 916 E HA -0.050 4.308 4.350 0.013 0.000 0.190 916 E C 1.934 178.613 176.600 0.133 0.000 0.982 916 E CA 0.734 57.183 56.400 0.081 0.000 0.803 916 E CB -0.028 29.722 29.700 0.084 0.000 0.755 916 E HN 0.179 nan 8.360 nan 0.000 0.453 917 L N -0.231 121.081 121.223 0.148 0.000 2.156 917 L HA -0.073 4.275 4.340 0.013 0.000 0.208 917 L C 2.136 179.151 176.870 0.242 0.000 1.095 917 L CA 0.207 55.180 54.840 0.221 0.000 0.770 917 L CB -0.225 41.984 42.059 0.250 0.000 0.914 917 L HN 0.190 nan 8.230 nan 0.000 0.439 918 L N -0.004 121.331 121.223 0.186 0.000 2.141 918 L HA -0.098 4.250 4.340 0.013 0.000 0.209 918 L C 2.683 179.797 176.870 0.405 0.000 1.094 918 L CA 1.711 56.702 54.840 0.252 0.000 0.763 918 L CB -0.730 41.358 42.059 0.048 0.000 0.908 918 L HN 0.165 nan 8.230 nan 0.000 0.437 919 A N -1.076 121.897 122.820 0.256 0.000 1.930 919 A HA -0.277 4.051 4.320 0.013 0.000 0.217 919 A C 2.245 179.986 177.584 0.261 0.000 1.175 919 A CA 1.685 53.860 52.037 0.230 0.000 0.627 919 A CB -0.547 18.529 19.000 0.127 0.000 0.815 919 A HN 0.537 nan 8.150 nan 0.000 0.443 920 Q N -0.134 119.814 119.800 0.246 0.000 2.079 920 Q HA -0.027 4.321 4.340 0.013 0.000 0.200 920 Q C 1.937 178.096 176.000 0.266 0.000 0.974 920 Q CA 1.963 57.904 55.803 0.230 0.000 0.840 920 Q CB -0.473 28.399 28.738 0.223 0.000 0.898 920 Q HN 0.514 nan 8.270 nan 0.000 0.430 921 A N -0.432 122.602 122.820 0.356 0.000 2.067 921 A HA -0.104 4.224 4.320 0.013 0.000 0.219 921 A C 1.780 179.484 177.584 0.200 0.000 1.158 921 A CA 0.898 53.178 52.037 0.405 0.000 0.661 921 A CB -0.790 18.574 19.000 0.607 0.000 0.801 921 A HN 0.602 nan 8.150 nan 0.000 0.452 922 F N 0.358 120.291 119.950 -0.028 0.000 2.325 922 F HA -0.001 4.534 4.527 0.013 0.000 0.299 922 F C 1.979 177.697 175.800 -0.137 0.000 1.090 922 F CA 1.592 59.357 58.000 -0.391 0.000 1.392 922 F CB 0.059 38.883 39.000 -0.294 0.000 1.053 922 F HN 0.230 nan 8.300 nan 0.000 0.521 923 E N -0.677 119.565 120.200 0.070 0.000 2.358 923 E HA -0.060 4.298 4.350 0.013 0.000 0.195 923 E C 2.153 178.763 176.600 0.016 0.000 1.010 923 E CA 0.610 57.037 56.400 0.044 0.000 0.856 923 E CB -0.094 29.669 29.700 0.105 0.000 0.795 923 E HN 0.242 nan 8.360 nan 0.000 0.504 924 V N -0.297 119.656 119.914 0.064 0.000 2.426 924 V HA -0.151 3.977 4.120 0.013 0.000 0.242 924 V C 1.896 178.084 176.094 0.157 0.000 1.036 924 V CA 1.511 63.903 62.300 0.153 0.000 1.044 924 V CB -0.587 31.416 31.823 0.299 0.000 0.688 924 V HN 0.371 nan 8.190 nan 0.000 0.462 925 Y N -0.571 119.614 120.300 -0.193 0.000 2.089 925 Y HA -0.292 4.266 4.550 0.013 0.000 0.282 925 Y C 2.288 178.010 175.900 -0.297 0.000 1.139 925 Y CA 2.189 60.050 58.100 -0.399 0.000 1.123 925 Y CB -0.104 37.710 38.460 -1.076 0.000 0.980 925 Y HN 0.250 nan 8.280 nan 0.000 0.493 926 F N 0.562 119.927 119.950 -0.974 0.000 2.619 926 F HA 0.218 4.753 4.527 0.013 0.000 0.293 926 F C 2.166 177.679 175.800 -0.478 0.000 1.119 926 F CA 0.807 58.216 58.000 -0.985 0.000 1.445 926 F CB -0.400 37.676 39.000 -1.540 0.000 1.119 926 F HN 0.084 nan 8.300 nan 0.000 0.573 927 G N -0.167 108.475 108.800 -0.263 0.000 2.404 927 G HA2 -0.284 3.684 3.960 0.013 0.000 0.215 927 G HA3 -0.284 3.684 3.960 0.013 0.000 0.215 927 G C 1.678 176.489 174.900 -0.147 0.000 1.174 927 G CA 0.748 45.758 45.100 -0.150 0.000 0.780 927 G HN 0.148 nan 8.290 nan 0.000 0.537 928 K N 0.473 120.813 120.400 -0.099 0.000 2.211 928 K HA 0.081 4.409 4.320 0.013 0.000 0.203 928 K C 2.472 179.007 176.600 -0.108 0.000 1.050 928 K CA 0.470 56.725 56.287 -0.054 0.000 0.945 928 K CB -0.211 32.304 32.500 0.024 0.000 0.732 928 K HN 0.034 nan 8.250 nan 0.000 0.451 929 R N 0.615 120.974 120.500 -0.234 0.000 2.096 929 R HA -0.065 4.283 4.340 0.013 0.000 0.235 929 R C 1.906 178.017 176.300 -0.315 0.000 1.127 929 R CA 1.517 57.426 56.100 -0.319 0.000 0.968 929 R CB -0.126 29.785 30.300 -0.647 0.000 0.861 929 R HN 0.217 nan 8.270 nan 0.000 0.440 930 K N -1.207 118.962 120.400 -0.386 0.000 2.057 930 K HA -0.036 4.292 4.320 0.013 0.000 0.206 930 K C 2.107 178.621 176.600 -0.142 0.000 1.050 930 K CA 1.375 57.501 56.287 -0.269 0.000 0.935 930 K CB -0.322 32.039 32.500 -0.233 0.000 0.715 930 K HN 0.238 nan 8.250 nan 0.000 0.439 931 G N 1.037 109.771 108.800 -0.109 0.000 2.394 931 G HA2 -0.229 3.739 3.960 0.013 0.000 0.214 931 G HA3 -0.229 3.739 3.960 0.013 0.000 0.214 931 G C 1.138 176.011 174.900 -0.046 0.000 1.176 931 G CA 0.347 45.407 45.100 -0.066 0.000 0.786 931 G HN 0.249 nan 8.290 nan 0.000 0.533 932 E N -0.279 119.910 120.200 -0.019 0.000 2.339 932 E HA -0.012 4.346 4.350 0.013 0.000 0.201 932 E C 1.866 178.504 176.600 0.064 0.000 1.015 932 E CA 0.679 57.105 56.400 0.043 0.000 0.841 932 E CB -0.148 29.598 29.700 0.076 0.000 0.754 932 E HN 0.528 nan 8.360 nan 0.000 0.508 933 G N -1.270 107.514 108.800 -0.027 0.000 2.205 933 G HA2 -0.181 3.787 3.960 0.013 0.000 0.180 933 G HA3 -0.181 3.787 3.960 0.013 0.000 0.180 933 G C -0.168 174.429 174.900 -0.505 0.000 1.004 933 G CA -0.264 44.682 45.100 -0.257 0.000 0.670 933 G HN 0.126 nan 8.290 nan 0.000 0.496 934 F N -0.389 119.505 119.950 -0.093 0.000 2.640 934 F HA 0.791 5.326 4.527 0.013 0.000 0.324 934 F C 1.079 176.806 175.800 -0.121 0.000 1.077 934 F CA -0.151 57.801 58.000 -0.079 0.000 0.965 934 F CB 1.147 40.117 39.000 -0.050 0.000 1.351 934 F HN 0.171 nan 8.300 nan 0.000 0.487 935 G N 0.011 108.900 108.800 0.148 0.000 3.392 935 G HA2 0.549 4.517 3.960 0.013 0.000 0.188 935 G HA3 0.549 4.517 3.960 0.013 0.000 0.188 935 G C -0.704 174.276 174.900 0.134 0.000 1.485 935 G CA -0.184 44.960 45.100 0.073 0.000 0.943 935 G HN 0.637 nan 8.290 nan 0.000 0.627 936 V N -0.792 119.227 119.914 0.174 0.000 2.617 936 V HA 0.502 4.630 4.120 0.013 0.000 0.298 936 V C -0.415 175.773 176.094 0.158 0.000 1.048 936 V CA -1.051 61.369 62.300 0.200 0.000 0.964 936 V CB 1.614 33.546 31.823 0.181 0.000 1.004 936 V HN 0.473 nan 8.190 nan 0.000 0.466 937 D N 1.718 122.219 120.400 0.169 0.000 2.354 937 D HA 0.206 4.854 4.640 0.013 0.000 0.247 937 D C 0.771 177.130 176.300 0.098 0.000 1.138 937 D CA -0.408 53.686 54.000 0.157 0.000 0.958 937 D CB 1.922 42.876 40.800 0.257 0.000 1.144 937 D HN 0.743 nan 8.370 nan 0.000 0.458 938 K N 0.665 121.114 120.400 0.080 0.000 2.217 938 K HA -0.027 4.301 4.320 0.013 0.000 0.202 938 K C 1.845 178.448 176.600 0.006 0.000 1.051 938 K CA 0.907 57.221 56.287 0.045 0.000 0.952 938 K CB 0.243 32.770 32.500 0.046 0.000 0.736 938 K HN 0.197 nan 8.250 nan 0.000 0.453 939 R N 0.803 121.293 120.500 -0.017 0.000 2.057 939 R HA -0.059 4.289 4.340 0.013 0.000 0.229 939 R C 1.998 178.204 176.300 -0.155 0.000 1.136 939 R CA 1.560 57.568 56.100 -0.153 0.000 0.952 939 R CB -0.662 29.408 30.300 -0.384 0.000 0.848 939 R HN 0.411 nan 8.270 nan 0.000 0.430 940 E N 0.728 120.882 120.200 -0.076 0.000 2.085 940 E HA -0.139 4.219 4.350 0.013 0.000 0.194 940 E C 2.068 178.660 176.600 -0.012 0.000 0.994 940 E CA 1.476 57.865 56.400 -0.018 0.000 0.801 940 E CB -0.106 29.647 29.700 0.088 0.000 0.743 940 E HN 0.054 nan 8.360 nan 0.000 0.453 941 V N 1.182 121.097 119.914 0.002 0.000 2.358 941 V HA -0.250 3.878 4.120 0.013 0.000 0.246 941 V C 2.367 178.450 176.094 -0.017 0.000 1.047 941 V CA 2.094 64.396 62.300 0.002 0.000 1.035 941 V CB -0.493 31.340 31.823 0.015 0.000 0.658 941 V HN 0.230 nan 8.190 nan 0.000 0.452 942 E N 0.238 120.419 120.200 -0.031 0.000 2.077 942 E HA -0.209 4.149 4.350 0.013 0.000 0.193 942 E C 2.127 178.700 176.600 -0.046 0.000 0.989 942 E CA 1.646 58.023 56.400 -0.038 0.000 0.800 942 E CB -0.318 29.353 29.700 -0.049 0.000 0.746 942 E HN 0.326 nan 8.360 nan 0.000 0.452 943 V N 0.105 119.981 119.914 -0.062 0.000 2.548 943 V HA -0.118 4.010 4.120 0.013 0.000 0.249 943 V C 2.090 178.163 176.094 -0.036 0.000 1.055 943 V CA 1.267 63.533 62.300 -0.056 0.000 1.065 943 V CB -0.237 31.542 31.823 -0.073 0.000 0.681 943 V HN 0.383 nan 8.190 nan 0.000 0.462 944 L N 0.100 121.305 121.223 -0.030 0.000 2.083 944 L HA -0.167 4.181 4.340 0.013 0.000 0.209 944 L C 2.770 179.626 176.870 -0.024 0.000 1.083 944 L CA 2.156 56.981 54.840 -0.025 0.000 0.752 944 L CB -0.548 41.499 42.059 -0.021 0.000 0.899 944 L HN 0.387 nan 8.230 nan 0.000 0.433 945 R N 0.578 121.064 120.500 -0.022 0.000 2.082 945 R HA -0.192 4.156 4.340 0.013 0.000 0.234 945 R C 2.303 178.590 176.300 -0.021 0.000 1.136 945 R CA 1.632 57.720 56.100 -0.019 0.000 0.935 945 R CB -0.227 30.062 30.300 -0.017 0.000 0.842 945 R HN 0.258 nan 8.270 nan 0.000 0.430 946 R N -0.104 120.382 120.500 -0.023 0.000 2.241 946 R HA -0.063 4.285 4.340 0.013 0.000 0.224 946 R C 2.145 178.432 176.300 -0.023 0.000 1.101 946 R CA 1.006 57.093 56.100 -0.023 0.000 0.995 946 R CB -0.142 30.143 30.300 -0.025 0.000 0.870 946 R HN 0.355 nan 8.270 nan 0.000 0.463 947 A N 0.786 123.591 122.820 -0.024 0.000 1.903 947 A HA -0.098 4.230 4.320 0.013 0.000 0.213 947 A C 1.894 179.462 177.584 -0.027 0.000 1.185 947 A CA 0.760 52.782 52.037 -0.026 0.000 0.628 947 A CB -0.100 18.884 19.000 -0.027 0.000 0.830 947 A HN 0.223 nan 8.150 nan 0.000 0.446 948 E N -0.113 120.071 120.200 -0.026 0.000 2.107 948 E HA -0.112 4.246 4.350 0.013 0.000 0.191 948 E C 1.738 178.325 176.600 -0.022 0.000 0.982 948 E CA 0.873 57.258 56.400 -0.026 0.000 0.809 948 E CB -0.032 29.654 29.700 -0.024 0.000 0.756 948 E HN 0.502 nan 8.360 nan 0.000 0.459 949 K N 0.277 120.665 120.400 -0.020 0.000 2.442 949 K HA -0.073 4.255 4.320 0.013 0.000 0.198 949 K C 1.726 178.315 176.600 -0.018 0.000 1.042 949 K CA 0.196 56.472 56.287 -0.018 0.000 0.958 949 K CB 0.189 32.679 32.500 -0.016 0.000 0.766 949 K HN 0.122 nan 8.250 nan 0.000 0.474 950 L N -0.381 120.830 121.223 -0.021 0.000 2.354 950 L HA 0.095 4.443 4.340 0.013 0.000 0.212 950 L C 0.921 177.778 176.870 -0.023 0.000 1.091 950 L CA 1.648 56.476 54.840 -0.021 0.000 0.828 950 L CB -0.344 41.702 42.059 -0.022 0.000 0.973 950 L HN 0.422 nan 8.230 nan 0.000 0.461 951 G N -0.632 108.153 108.800 -0.025 0.000 2.141 951 G HA2 -0.198 3.770 3.960 0.013 0.000 0.195 951 G HA3 -0.198 3.770 3.960 0.013 0.000 0.195 951 G C 0.756 175.637 174.900 -0.033 0.000 1.012 951 G CA 0.331 45.415 45.100 -0.027 0.000 0.696 951 G HN 0.245 nan 8.290 nan 0.000 0.508 952 L N -0.724 120.478 121.223 -0.035 0.000 2.298 952 L HA 0.269 4.617 4.340 0.013 0.000 0.209 952 L C 1.156 177.997 176.870 -0.049 0.000 1.084 952 L CA 1.213 56.027 54.840 -0.043 0.000 0.816 952 L CB -0.274 41.761 42.059 -0.040 0.000 0.967 952 L HN 0.210 nan 8.230 nan 0.000 0.460 953 V N -0.593 119.293 119.914 -0.045 0.000 2.769 953 V HA 0.288 4.416 4.120 0.013 0.000 0.312 953 V C 0.294 176.362 176.094 -0.043 0.000 1.061 953 V CA -0.927 61.342 62.300 -0.051 0.000 0.931 953 V CB 1.515 33.307 31.823 -0.052 0.000 1.010 953 V HN 0.305 nan 8.190 nan 0.000 0.433 954 T N 1.832 116.358 114.554 -0.046 0.000 2.775 954 T HA 0.279 4.637 4.350 0.013 0.000 0.281 954 T C -2.369 172.312 174.700 -0.032 0.000 0.908 954 T CA -1.284 60.794 62.100 -0.038 0.000 1.123 954 T CB -0.040 68.805 68.868 -0.039 0.000 0.879 954 T HN 0.475 nan 8.240 nan 0.000 0.547 955 P HA 0.225 nan 4.420 nan 0.000 0.263 955 P C 1.226 178.514 177.300 -0.020 0.000 1.175 955 P CA 1.160 64.247 63.100 -0.022 0.000 0.761 955 P CB 0.095 31.784 31.700 -0.019 0.000 0.794 956 G N 1.287 110.077 108.800 -0.017 0.000 2.201 956 G HA2 -0.197 3.771 3.960 0.013 0.000 0.212 956 G HA3 -0.197 3.771 3.960 0.013 0.000 0.212 956 G C 0.193 175.084 174.900 -0.014 0.000 0.994 956 G CA -0.251 44.840 45.100 -0.014 0.000 0.644 956 G HN 0.623 nan 8.290 nan 0.000 0.508 957 K N 0.968 121.356 120.400 -0.020 0.000 2.095 957 K HA 0.595 4.923 4.320 0.013 0.000 0.252 957 K C 0.710 177.299 176.600 -0.017 0.000 0.977 957 K CA 0.200 56.474 56.287 -0.022 0.000 0.900 957 K CB 0.998 33.477 32.500 -0.034 0.000 1.060 957 K HN 0.153 nan 8.250 nan 0.000 0.449 958 T N 1.540 116.088 114.554 -0.011 0.000 2.930 958 T HA 0.133 4.491 4.350 0.013 0.000 0.306 958 T C -1.867 172.830 174.700 -0.006 0.000 1.045 958 T CA -1.342 60.759 62.100 0.002 0.000 1.134 958 T CB 0.763 69.641 68.868 0.017 0.000 0.961 958 T HN 0.336 nan 8.240 nan 0.000 0.545 959 P HA -0.196 nan 4.420 nan 0.000 0.220 959 P C 1.304 178.585 177.300 -0.032 0.000 1.155 959 P CA 1.604 64.702 63.100 -0.003 0.000 0.880 959 P CB 0.091 31.812 31.700 0.035 0.000 0.790 960 E N 0.216 120.430 120.200 0.024 0.000 2.013 960 E HA -0.255 4.103 4.350 0.013 0.000 0.202 960 E C 1.973 178.538 176.600 -0.059 0.000 1.018 960 E CA 1.750 58.177 56.400 0.045 0.000 0.834 960 E CB -0.882 28.915 29.700 0.161 0.000 0.770 960 E HN 0.170 nan 8.360 nan 0.000 0.459 961 E N 0.393 120.566 120.200 -0.046 0.000 2.097 961 E HA -0.257 4.101 4.350 0.013 0.000 0.196 961 E C 2.254 178.752 176.600 -0.170 0.000 1.000 961 E CA 1.627 57.967 56.400 -0.100 0.000 0.804 961 E CB -0.340 29.326 29.700 -0.056 0.000 0.740 961 E HN 0.557 nan 8.360 nan 0.000 0.454 962 Q N 0.517 120.240 119.800 -0.128 0.000 2.030 962 Q HA -0.112 4.236 4.340 0.013 0.000 0.204 962 Q C 2.578 178.469 176.000 -0.181 0.000 0.986 962 Q CA 0.937 56.663 55.803 -0.127 0.000 0.843 962 Q CB -0.354 28.337 28.738 -0.078 0.000 0.904 962 Q HN 0.280 nan 8.270 nan 0.000 0.420 963 L N 1.012 122.116 121.223 -0.198 0.000 2.043 963 L HA -0.259 4.089 4.340 0.013 0.000 0.212 963 L C 2.681 179.277 176.870 -0.456 0.000 1.075 963 L CA 1.428 56.151 54.840 -0.194 0.000 0.752 963 L CB -0.278 41.678 42.059 -0.171 0.000 0.891 963 L HN 0.253 nan 8.230 nan 0.000 0.432 964 K N 0.162 119.976 120.400 -0.977 0.000 2.009 964 K HA -0.300 4.028 4.320 0.013 0.000 0.210 964 K C 1.988 178.224 176.600 -0.608 0.000 1.049 964 K CA 2.107 57.448 56.287 -1.576 0.000 0.929 964 K CB -0.143 31.660 32.500 -1.163 0.000 0.714 964 K HN 0.277 nan 8.250 nan 0.000 0.440 965 E N 0.037 120.018 120.200 -0.365 0.000 2.160 965 E HA -0.203 4.155 4.350 0.013 0.000 0.195 965 E C 1.865 178.376 176.600 -0.149 0.000 0.991 965 E CA 0.892 57.170 56.400 -0.203 0.000 0.810 965 E CB 0.033 29.642 29.700 -0.152 0.000 0.742 965 E HN 0.211 nan 8.360 nan 0.000 0.466 966 L N -0.227 120.916 121.223 -0.134 0.000 2.240 966 L HA 0.036 4.384 4.340 0.013 0.000 0.211 966 L C 1.753 178.622 176.870 -0.003 0.000 1.106 966 L CA 1.213 56.016 54.840 -0.061 0.000 0.793 966 L CB -0.551 41.490 42.059 -0.029 0.000 0.927 966 L HN 0.219 nan 8.230 nan 0.000 0.446 967 F N -0.398 119.462 119.950 -0.150 0.000 2.128 967 F HA -0.145 4.390 4.527 0.013 0.000 0.295 967 F C 2.101 177.840 175.800 -0.101 0.000 1.100 967 F CA 1.414 59.391 58.000 -0.039 0.000 1.260 967 F CB -0.196 38.870 39.000 0.110 0.000 1.009 967 F HN -0.014 nan 8.300 nan 0.000 0.476 968 L N 0.063 121.274 121.223 -0.019 0.000 2.129 968 L HA -0.273 4.075 4.340 0.013 0.000 0.212 968 L C 2.369 179.101 176.870 -0.230 0.000 1.087 968 L CA 1.321 56.093 54.840 -0.112 0.000 0.757 968 L CB -0.942 41.066 42.059 -0.085 0.000 0.896 968 L HN 0.234 nan 8.230 nan 0.000 0.434 969 Q N -0.020 119.650 119.800 -0.218 0.000 2.364 969 Q HA -0.099 4.249 4.340 0.013 0.000 0.207 969 Q C 1.554 177.273 176.000 -0.467 0.000 0.970 969 Q CA 0.966 56.613 55.803 -0.260 0.000 0.888 969 Q CB 0.080 28.718 28.738 -0.167 0.000 0.951 969 Q HN 0.717 nan 8.270 nan 0.000 0.469 970 G N 0.986 109.477 108.800 -0.515 0.000 2.159 970 G HA2 -0.212 3.756 3.960 0.013 0.000 0.227 970 G HA3 -0.212 3.756 3.960 0.013 0.000 0.227 970 G C -0.214 174.470 174.900 -0.361 0.000 0.986 970 G CA -0.122 44.560 45.100 -0.697 0.000 0.651 970 G HN 0.197 nan 8.290 nan 0.000 0.523 971 K N 0.137 120.399 120.400 -0.229 0.000 2.324 971 K HA 0.749 5.077 4.320 0.013 0.000 0.253 971 K C 0.251 176.863 176.600 0.020 0.000 0.932 971 K CA -0.459 55.782 56.287 -0.077 0.000 0.799 971 K CB 3.108 35.582 32.500 -0.043 0.000 1.154 971 K HN 0.645 nan 8.250 nan 0.000 0.425 972 V N -1.058 118.911 119.914 0.092 0.000 3.182 972 V HA 0.587 4.715 4.120 0.013 0.000 0.311 972 V C -0.495 175.695 176.094 0.160 0.000 1.221 972 V CA -0.856 61.581 62.300 0.228 0.000 1.060 972 V CB 1.701 33.720 31.823 0.327 0.000 1.164 972 V HN 0.399 nan 8.190 nan 0.000 0.466 973 V N 1.324 121.358 119.914 0.201 0.000 2.644 973 V HA 0.630 4.758 4.120 0.013 0.000 0.295 973 V C -0.379 175.815 176.094 0.167 0.000 1.053 973 V CA -0.313 62.068 62.300 0.134 0.000 0.987 973 V CB 1.099 32.989 31.823 0.112 0.000 1.006 973 V HN 0.741 nan 8.190 nan 0.000 0.472 974 L N 3.998 125.282 121.223 0.101 0.000 2.470 974 L HA 0.567 4.915 4.340 0.013 0.000 0.268 974 L C -1.166 175.762 176.870 0.096 0.000 0.964 974 L CA -0.253 54.663 54.840 0.127 0.000 0.839 974 L CB 1.858 43.963 42.059 0.077 0.000 1.276 974 L HN 0.496 nan 8.230 nan 0.000 0.403 975 Y N 2.418 122.574 120.300 -0.239 0.000 2.310 975 Y HA 0.198 4.756 4.550 0.013 0.000 0.326 975 Y C 1.366 177.157 175.900 -0.181 0.000 1.151 975 Y CA -0.598 57.362 58.100 -0.233 0.000 1.195 975 Y CB 0.573 38.838 38.460 -0.325 0.000 1.210 975 Y HN 0.667 nan 8.280 nan 0.000 0.483 976 D N 1.843 122.319 120.400 0.126 0.000 2.177 976 D HA -0.252 4.396 4.640 0.013 0.000 0.189 976 D C 1.822 178.255 176.300 0.222 0.000 1.002 976 D CA 2.785 56.868 54.000 0.138 0.000 0.845 976 D CB -0.027 40.835 40.800 0.103 0.000 0.960 976 D HN 0.958 nan 8.370 nan 0.000 0.447 977 G N -0.331 108.649 108.800 0.300 0.000 2.313 977 G HA2 -0.286 3.682 3.960 0.013 0.000 0.215 977 G HA3 -0.286 3.682 3.960 0.013 0.000 0.215 977 G C 1.521 176.532 174.900 0.184 0.000 1.023 977 G CA 0.502 45.807 45.100 0.342 0.000 0.626 977 G HN 0.402 nan 8.290 nan 0.000 0.503 978 R N -0.407 120.186 120.500 0.155 0.000 2.090 978 R HA 0.212 4.560 4.340 0.013 0.000 0.219 978 R C 2.483 178.834 176.300 0.086 0.000 1.100 978 R CA 1.544 57.706 56.100 0.103 0.000 0.991 978 R CB -0.206 30.144 30.300 0.084 0.000 0.893 978 R HN 0.344 nan 8.270 nan 0.000 0.443 979 T N -1.714 112.897 114.554 0.096 0.000 2.990 979 T HA 0.163 4.521 4.350 0.013 0.000 0.250 979 T C 1.146 175.917 174.700 0.118 0.000 1.041 979 T CA 0.826 62.976 62.100 0.082 0.000 1.010 979 T CB 0.370 69.271 68.868 0.055 0.000 1.003 979 T HN 0.478 nan 8.240 nan 0.000 0.499 980 G N 1.376 110.286 108.800 0.183 0.000 2.189 980 G HA2 -0.244 3.724 3.960 0.013 0.000 0.267 980 G HA3 -0.244 3.724 3.960 0.013 0.000 0.267 980 G C -0.025 175.041 174.900 0.277 0.000 0.975 980 G CA 0.622 45.884 45.100 0.270 0.000 0.644 980 G HN 0.615 nan 8.290 nan 0.000 0.537 981 E N 1.603 121.893 120.200 0.150 0.000 2.266 981 E HA 0.503 4.861 4.350 0.013 0.000 0.277 981 E C -1.522 175.072 176.600 -0.009 0.000 1.018 981 E CA -1.941 54.493 56.400 0.057 0.000 0.840 981 E CB 1.580 31.296 29.700 0.027 0.000 1.082 981 E HN 0.218 nan 8.360 nan 0.000 0.395 982 P HA -0.004 nan 4.420 nan 0.000 0.272 982 P C -0.432 176.809 177.300 -0.098 0.000 1.254 982 P CA 0.266 63.225 63.100 -0.236 0.000 0.795 982 P CB 0.639 32.114 31.700 -0.375 0.000 1.022 983 I N 0.753 121.278 120.570 -0.076 0.000 2.347 983 I HA 0.081 4.259 4.170 0.013 0.000 0.283 983 I C 1.039 177.131 176.117 -0.042 0.000 1.058 983 I CA -0.631 60.647 61.300 -0.036 0.000 1.202 983 I CB -0.004 37.994 38.000 -0.003 0.000 1.386 983 I HN 0.404 nan 8.210 nan 0.000 0.475 984 E N 6.083 126.255 120.200 -0.046 0.000 3.250 984 E HA 0.083 4.441 4.350 0.013 0.000 0.244 984 E C 0.297 176.880 176.600 -0.028 0.000 0.931 984 E CA 0.257 56.632 56.400 -0.041 0.000 0.954 984 E CB -0.221 29.459 29.700 -0.033 0.000 0.894 984 E HN 0.843 nan 8.360 nan 0.000 0.560 985 G N 3.036 111.818 108.800 -0.029 0.000 3.355 985 G HA2 -0.095 3.873 3.960 0.013 0.000 0.686 985 G HA3 -0.095 3.873 3.960 0.013 0.000 0.686 985 G C -2.729 172.166 174.900 -0.009 0.000 1.097 985 G CA -0.784 44.305 45.100 -0.018 0.000 0.881 985 G HN 0.462 nan 8.290 nan 0.000 0.550 986 P HA 0.353 nan 4.420 nan 0.000 0.266 986 P C 0.187 177.495 177.300 0.013 0.000 1.193 986 P CA -0.135 62.972 63.100 0.011 0.000 0.770 986 P CB 0.512 32.215 31.700 0.006 0.000 0.836 987 I N 2.209 122.795 120.570 0.027 0.000 2.545 987 I HA 0.245 4.423 4.170 0.013 0.000 0.292 987 I C 0.133 176.268 176.117 0.030 0.000 1.040 987 I CA -1.034 60.284 61.300 0.030 0.000 1.068 987 I CB 1.696 39.720 38.000 0.040 0.000 1.251 987 I HN 0.104 nan 8.210 nan 0.000 0.424 988 V N 7.760 127.693 119.914 0.032 0.000 2.686 988 V HA 0.702 4.830 4.120 0.013 0.000 0.295 988 V C -0.346 175.774 176.094 0.043 0.000 1.055 988 V CA 0.062 62.387 62.300 0.041 0.000 1.050 988 V CB 1.507 33.394 31.823 0.106 0.000 0.984 988 V HN 0.572 nan 8.190 nan 0.000 0.482 989 V N 3.177 123.112 119.914 0.035 0.000 3.147 989 V HA 1.120 5.248 4.120 0.013 0.000 0.306 989 V C 0.018 176.134 176.094 0.037 0.000 1.209 989 V CA 0.073 62.390 62.300 0.029 0.000 1.023 989 V CB 1.024 32.856 31.823 0.017 0.000 1.059 989 V HN 1.652 nan 8.190 nan 0.000 0.435 990 G N 0.875 109.695 108.800 0.034 0.000 2.320 990 G HA2 0.448 4.416 3.960 0.013 0.000 0.296 990 G HA3 0.448 4.416 3.960 0.013 0.000 0.296 990 G C -1.932 173.016 174.900 0.079 0.000 1.306 990 G CA -0.835 44.305 45.100 0.067 0.000 0.836 990 G HN 0.769 nan 8.290 nan 0.000 0.517 991 Q N 0.471 120.358 119.800 0.146 0.000 2.406 991 Q HA 0.464 4.812 4.340 0.013 0.000 0.242 991 Q C -0.072 176.051 176.000 0.205 0.000 1.036 991 Q CA -0.033 55.886 55.803 0.193 0.000 0.904 991 Q CB 1.362 30.262 28.738 0.271 0.000 1.244 991 Q HN 0.524 nan 8.270 nan 0.000 0.478 992 M N 3.239 122.953 119.600 0.191 0.000 2.336 992 M HA 0.395 4.883 4.480 0.013 0.000 0.342 992 M C -1.411 175.048 176.300 0.266 0.000 1.128 992 M CA -0.792 54.635 55.300 0.211 0.000 1.016 992 M CB 0.958 33.649 32.600 0.151 0.000 1.665 992 M HN 0.569 nan 8.290 nan 0.000 0.445 993 F N 6.383 126.407 119.950 0.124 0.000 2.444 993 F HA 0.507 5.043 4.527 0.014 0.000 0.360 993 F C -1.429 174.436 175.800 0.109 0.000 1.106 993 F CA -0.342 57.724 58.000 0.109 0.000 1.170 993 F CB 0.335 39.377 39.000 0.070 0.000 1.113 993 F HN 0.477 nan 8.300 nan 0.000 0.521 994 I N 6.630 127.042 120.570 -0.265 0.000 2.689 994 I HA 0.432 4.610 4.170 0.013 0.000 0.299 994 I C -0.558 175.397 176.117 -0.269 0.000 1.059 994 I CA -0.657 60.530 61.300 -0.188 0.000 1.055 994 I CB 2.239 40.248 38.000 0.015 0.000 1.243 994 I HN 0.525 nan 8.210 nan 0.000 0.425 995 M N 3.312 122.796 119.600 -0.193 0.000 2.724 995 M HA 0.580 5.068 4.480 0.013 0.000 0.310 995 M C -0.580 175.734 176.300 0.023 0.000 1.217 995 M CA -0.851 54.358 55.300 -0.152 0.000 0.894 995 M CB 1.864 34.346 32.600 -0.196 0.000 1.719 995 M HN 0.366 nan 8.290 nan 0.000 0.479 996 K N 1.521 121.930 120.400 0.015 0.000 2.156 996 K HA 0.561 4.889 4.320 0.013 0.000 0.271 996 K C -1.468 175.159 176.600 0.046 0.000 0.995 996 K CA -0.592 55.742 56.287 0.079 0.000 0.890 996 K CB 1.040 33.592 32.500 0.087 0.000 1.073 996 K HN 0.595 nan 8.250 nan 0.000 0.454 997 L N 3.621 124.882 121.223 0.062 0.000 2.358 997 L HA 0.188 4.536 4.340 0.013 0.000 0.268 997 L C 0.736 177.688 176.870 0.138 0.000 1.032 997 L CA -0.449 54.445 54.840 0.090 0.000 0.805 997 L CB 0.415 42.504 42.059 0.051 0.000 1.253 997 L HN 0.778 nan 8.230 nan 0.000 0.452 998 Y N 0.808 121.157 120.300 0.081 0.000 2.618 998 Y HA -0.101 4.457 4.550 0.013 0.000 0.351 998 Y C 0.192 176.171 175.900 0.131 0.000 1.221 998 Y CA 0.321 58.475 58.100 0.089 0.000 1.248 998 Y CB -0.939 37.586 38.460 0.108 0.000 1.119 998 Y HN 0.387 nan 8.280 nan 0.000 0.483 999 H N 1.317 120.289 119.070 -0.163 0.000 2.690 999 H HA 0.338 4.902 4.556 0.013 0.000 0.280 999 H C -0.272 174.928 175.328 -0.213 0.000 1.138 999 H CA -0.502 55.423 56.048 -0.204 0.000 1.241 999 H CB -0.004 29.708 29.762 -0.084 0.000 1.394 999 H HN 0.131 nan 8.280 nan 0.000 0.489 1000 M N 2.227 121.640 119.600 -0.312 0.000 2.471 1000 M HA 0.187 4.675 4.480 0.013 0.000 0.309 1000 M C 0.910 177.076 176.300 -0.224 0.000 1.186 1000 M CA -0.873 54.284 55.300 -0.238 0.000 1.008 1000 M CB 1.577 33.989 32.600 -0.313 0.000 1.551 1000 M HN 0.221 nan 8.290 nan 0.000 0.477 1001 V N -0.108 119.716 119.914 -0.150 0.000 3.623 1001 V HA -0.019 4.109 4.120 0.013 0.000 0.271 1001 V C 1.618 177.622 176.094 -0.149 0.000 1.248 1001 V CA 0.594 62.810 62.300 -0.140 0.000 1.156 1001 V CB -1.259 30.510 31.823 -0.090 0.000 0.870 1001 V HN 0.844 nan 8.190 nan 0.000 0.453 1002 E N 1.590 121.700 120.200 -0.151 0.000 2.204 1002 E HA -0.225 4.133 4.350 0.013 0.000 0.195 1002 E C 1.695 178.234 176.600 -0.102 0.000 0.990 1002 E CA 1.322 57.661 56.400 -0.102 0.000 0.821 1002 E CB -0.090 29.554 29.700 -0.095 0.000 0.750 1002 E HN 0.745 nan 8.360 nan 0.000 0.477 1003 D N -1.184 119.110 120.400 -0.176 0.000 2.340 1003 D HA 0.010 4.658 4.640 0.013 0.000 0.217 1003 D C 0.704 176.857 176.300 -0.245 0.000 1.081 1003 D CA 0.258 54.155 54.000 -0.171 0.000 0.842 1003 D CB 0.247 40.917 40.800 -0.217 0.000 0.934 1003 D HN -0.166 nan 8.370 nan 0.000 0.511 1004 K N 0.133 120.380 120.400 -0.255 0.000 2.537 1004 K HA 0.340 4.668 4.320 0.013 0.000 0.206 1004 K C -0.670 175.739 176.600 -0.319 0.000 1.041 1004 K CA -0.150 55.970 56.287 -0.278 0.000 1.090 1004 K CB 0.092 32.473 32.500 -0.199 0.000 0.833 1004 K HN 0.331 nan 8.250 nan 0.000 0.493 1005 M N -0.752 118.596 119.600 -0.420 0.000 2.356 1005 M HA 0.394 4.882 4.480 0.013 0.000 0.215 1005 M C -1.718 174.301 176.300 -0.468 0.000 0.978 1005 M CA -0.633 54.430 55.300 -0.394 0.000 0.972 1005 M CB 1.195 33.666 32.600 -0.215 0.000 2.529 1005 M HN -0.189 nan 8.290 nan 0.000 0.447 1006 H N 2.571 121.335 119.070 -0.509 0.000 2.459 1006 H HA 0.808 5.372 4.556 0.013 0.000 0.332 1006 H C -0.845 174.111 175.328 -0.619 0.000 1.094 1006 H CA -0.755 54.665 56.048 -1.047 0.000 1.224 1006 H CB 2.017 31.318 29.762 -0.767 0.000 1.449 1006 H HN 0.843 nan 8.280 nan 0.000 0.484 1007 A N 4.158 126.695 122.820 -0.471 0.000 2.360 1007 A HA 0.407 4.735 4.320 0.013 0.000 0.309 1007 A C 0.111 177.799 177.584 0.173 0.000 1.311 1007 A CA -0.762 51.238 52.037 -0.062 0.000 0.805 1007 A CB 0.452 19.444 19.000 -0.013 0.000 1.144 1007 A HN 0.690 nan 8.150 nan 0.000 0.486 1008 R N 2.251 122.850 120.500 0.164 0.000 2.338 1008 R HA 0.462 4.810 4.340 0.013 0.000 0.317 1008 R C 0.636 177.009 176.300 0.122 0.000 0.968 1008 R CA 0.353 56.576 56.100 0.205 0.000 0.849 1008 R CB 1.162 31.584 30.300 0.203 0.000 1.128 1008 R HN 0.701 nan 8.270 nan 0.000 0.448 1009 S N 1.976 117.739 115.700 0.106 0.000 2.460 1009 S HA 0.175 4.653 4.470 0.013 0.000 0.226 1009 S C 0.312 174.955 174.600 0.072 0.000 1.057 1009 S CA 0.271 58.522 58.200 0.085 0.000 0.948 1009 S CB 0.449 63.700 63.200 0.085 0.000 0.822 1009 S HN 0.602 nan 8.310 nan 0.000 0.512 1010 T N -0.753 113.821 114.554 0.033 0.000 2.770 1010 T HA 0.623 4.981 4.350 0.013 0.000 0.323 1010 T C -0.667 173.965 174.700 -0.114 0.000 1.683 1010 T CA -0.161 61.929 62.100 -0.016 0.000 1.024 1010 T CB 1.330 70.145 68.868 -0.088 0.000 1.557 1010 T HN 0.963 nan 8.240 nan 0.000 0.494 1011 G N 1.119 109.766 108.800 -0.255 0.000 2.327 1011 G HA2 0.493 4.461 3.960 0.013 0.000 0.291 1011 G HA3 0.493 4.461 3.960 0.013 0.000 0.291 1011 G C -3.328 171.154 174.900 -0.696 0.000 1.290 1011 G CA -0.771 44.100 45.100 -0.381 0.000 0.857 1011 G HN 0.662 nan 8.290 nan 0.000 0.520 1012 P HA 0.149 nan 4.420 nan 0.000 0.265 1012 P C -1.112 175.989 177.300 -0.332 0.000 1.151 1012 P CA 0.876 63.744 63.100 -0.386 0.000 0.755 1012 P CB -0.031 31.554 31.700 -0.192 0.000 0.756 1013 Y N -0.008 120.273 120.300 -0.032 0.000 2.499 1013 Y HA 0.408 4.967 4.550 0.014 0.000 0.347 1013 Y C 0.854 176.745 175.900 -0.016 0.000 0.987 1013 Y CA -1.398 56.690 58.100 -0.021 0.000 1.044 1013 Y CB 1.190 39.638 38.460 -0.020 0.000 1.245 1013 Y HN 0.161 nan 8.280 nan 0.000 0.461 1014 S N 1.053 116.847 115.700 0.157 0.000 2.568 1014 S HA 0.143 4.621 4.470 0.013 0.000 0.282 1014 S C 0.603 175.248 174.600 0.075 0.000 1.338 1014 S CA -0.285 57.963 58.200 0.081 0.000 1.045 1014 S CB 0.241 63.475 63.200 0.055 0.000 0.873 1014 S HN 0.559 nan 8.310 nan 0.000 0.516 1015 L N 5.166 126.418 121.223 0.049 0.000 2.567 1015 L HA 0.253 4.601 4.340 0.013 0.000 0.225 1015 L C 1.501 178.389 176.870 0.030 0.000 1.119 1015 L CA 0.645 55.509 54.840 0.041 0.000 0.871 1015 L CB -0.546 41.531 42.059 0.029 0.000 1.036 1015 L HN 0.759 nan 8.230 nan 0.000 0.459 1016 I N -3.996 116.590 120.570 0.026 0.000 3.039 1016 I HA 0.109 4.287 4.170 0.013 0.000 0.270 1016 I C 1.684 177.811 176.117 0.015 0.000 1.150 1016 I CA 1.043 62.354 61.300 0.018 0.000 1.448 1016 I CB -0.556 37.453 38.000 0.016 0.000 1.197 1016 I HN 0.162 nan 8.210 nan 0.000 0.450 1017 T N -3.649 110.916 114.554 0.017 0.000 3.003 1017 T HA 0.216 4.574 4.350 0.013 0.000 0.261 1017 T C 0.683 175.384 174.700 0.001 0.000 1.003 1017 T CA -0.180 61.925 62.100 0.009 0.000 0.917 1017 T CB 0.360 69.234 68.868 0.009 0.000 1.084 1017 T HN 0.298 nan 8.240 nan 0.000 0.522 1018 Q N 0.516 120.322 119.800 0.009 0.000 2.488 1018 Q HA -0.106 4.242 4.340 0.013 0.000 0.279 1018 Q C -0.943 175.021 176.000 -0.060 0.000 1.174 1018 Q CA 0.534 56.322 55.803 -0.025 0.000 0.888 1018 Q CB -1.568 27.134 28.738 -0.060 0.000 1.254 1018 Q HN 0.574 nan 8.270 nan 0.000 0.475 1019 Q N 0.000 119.807 119.800 0.012 0.000 2.282 1019 Q HA 0.390 4.738 4.340 0.013 0.000 0.260 1019 Q C -2.060 174.017 176.000 0.128 0.000 0.964 1019 Q CA -2.052 53.766 55.803 0.024 0.000 0.880 1019 Q CB 1.141 29.899 28.738 0.032 0.000 1.286 1019 Q HN -0.111 nan 8.270 nan 0.000 0.445 1020 P HA 0.017 nan 4.420 nan 0.000 0.237 1020 P C -0.325 177.073 177.300 0.163 0.000 1.701 1020 P CA 0.190 63.486 63.100 0.327 0.000 0.955 1020 P CB -0.245 31.624 31.700 0.281 0.000 1.937 1021 L N -0.270 121.025 121.223 0.121 0.000 2.468 1021 L HA 0.328 4.676 4.340 0.013 0.000 0.253 1021 L C 1.747 178.639 176.870 0.037 0.000 1.237 1021 L CA 0.878 55.758 54.840 0.066 0.000 0.823 1021 L CB -0.169 41.919 42.059 0.048 0.000 1.124 1021 L HN 0.192 nan 8.230 nan 0.000 0.504 1022 G N -2.026 106.782 108.800 0.013 0.000 3.414 1022 G HA2 0.616 4.584 3.960 0.013 0.000 0.196 1022 G HA3 0.616 4.584 3.960 0.013 0.000 0.196 1022 G C 0.275 175.150 174.900 -0.040 0.000 1.486 1022 G CA 0.168 45.254 45.100 -0.024 0.000 0.811 1022 G HN 0.985 nan 8.290 nan 0.000 0.704 1023 G N -0.634 108.136 108.800 -0.050 0.000 1.801 1023 G HA2 -0.130 3.838 3.960 0.013 0.000 0.203 1023 G HA3 -0.130 3.838 3.960 0.013 0.000 0.203 1023 G C 0.945 175.809 174.900 -0.060 0.000 2.274 1023 G CA 0.791 45.864 45.100 -0.044 0.000 1.481 1023 G HN 0.608 nan 8.290 nan 0.000 0.471 1024 K N 0.075 120.425 120.400 -0.083 0.000 2.312 1024 K HA 0.615 4.943 4.320 0.013 0.000 0.230 1024 K C 2.758 179.261 176.600 -0.161 0.000 1.048 1024 K CA 0.602 56.833 56.287 -0.093 0.000 0.938 1024 K CB -0.040 32.417 32.500 -0.073 0.000 1.139 1024 K HN 0.381 nan 8.250 nan 0.000 0.461 1025 A N 0.983 123.693 122.820 -0.182 0.000 1.930 1025 A HA -0.027 4.301 4.320 0.013 0.000 0.215 1025 A C 0.835 178.190 177.584 -0.382 0.000 1.176 1025 A CA 0.987 52.870 52.037 -0.256 0.000 0.632 1025 A CB -0.081 18.800 19.000 -0.199 0.000 0.819 1025 A HN 0.242 nan 8.150 nan 0.000 0.445 1026 Q N -0.536 119.086 119.800 -0.298 0.000 2.256 1026 Q HA 0.558 4.906 4.340 0.013 0.000 0.254 1026 Q C -0.776 175.070 176.000 -0.256 0.000 0.916 1026 Q CA -0.277 55.348 55.803 -0.296 0.000 0.932 1026 Q CB 0.588 29.216 28.738 -0.184 0.000 1.207 1026 Q HN 0.421 nan 8.270 nan 0.000 0.426 1027 F N -0.074 119.811 119.950 -0.107 0.000 2.426 1027 F HA 0.477 5.012 4.527 0.013 0.000 0.309 1027 F C 1.422 177.169 175.800 -0.089 0.000 1.246 1027 F CA 0.171 58.071 58.000 -0.166 0.000 1.229 1027 F CB 0.200 39.121 39.000 -0.132 0.000 1.255 1027 F HN 0.514 nan 8.300 nan 0.000 0.558 1028 G N -1.103 107.791 108.800 0.156 0.000 2.511 1028 G HA2 0.536 4.504 3.960 0.013 0.000 0.316 1028 G HA3 0.536 4.504 3.960 0.013 0.000 0.316 1028 G C -0.569 174.414 174.900 0.138 0.000 1.210 1028 G CA -0.564 44.606 45.100 0.117 0.000 0.969 1028 G HN 0.857 nan 8.290 nan 0.000 0.492 1029 G N -0.798 108.069 108.800 0.112 0.000 2.400 1029 G HA2 0.491 4.459 3.960 0.013 0.000 0.333 1029 G HA3 0.491 4.459 3.960 0.013 0.000 0.333 1029 G C -0.446 174.506 174.900 0.086 0.000 1.143 1029 G CA -0.405 44.753 45.100 0.097 0.000 0.914 1029 G HN 0.492 nan 8.290 nan 0.000 0.480 1030 Q N 0.143 119.988 119.800 0.075 0.000 2.432 1030 Q HA 0.210 4.558 4.340 0.013 0.000 0.264 1030 Q C 0.874 176.927 176.000 0.088 0.000 1.035 1030 Q CA 0.114 55.961 55.803 0.074 0.000 0.908 1030 Q CB 0.748 29.526 28.738 0.065 0.000 1.280 1030 Q HN 0.632 nan 8.270 nan 0.000 0.455 1031 R N 0.704 121.254 120.500 0.083 0.000 2.637 1031 R HA 0.141 4.489 4.340 0.013 0.000 0.269 1031 R C -0.119 176.282 176.300 0.169 0.000 1.089 1031 R CA -0.075 56.080 56.100 0.092 0.000 1.177 1031 R CB 0.264 30.588 30.300 0.040 0.000 1.091 1031 R HN 0.689 nan 8.270 nan 0.000 0.540 1032 F N 0.654 120.576 119.950 -0.047 0.000 2.752 1032 F HA 0.339 4.874 4.527 0.013 0.000 0.310 1032 F C 0.543 176.272 175.800 -0.119 0.000 1.097 1032 F CA 0.636 58.597 58.000 -0.065 0.000 1.238 1032 F CB 0.157 39.127 39.000 -0.050 0.000 1.061 1032 F HN 0.849 nan 8.300 nan 0.000 0.591 1033 G N 1.931 110.588 108.800 -0.238 0.000 3.158 1033 G HA2 -0.346 3.622 3.960 0.013 0.000 0.538 1033 G HA3 -0.346 3.622 3.960 0.013 0.000 0.538 1033 G C 0.890 175.401 174.900 -0.648 0.000 1.591 1033 G CA 0.328 45.206 45.100 -0.371 0.000 1.111 1033 G HN 0.641 nan 8.290 nan 0.000 0.573 1034 E N 0.521 120.312 120.200 -0.682 0.000 2.216 1034 E HA -0.073 4.285 4.350 0.013 0.000 0.192 1034 E C 2.456 177.903 176.600 -1.921 0.000 0.988 1034 E CA 1.010 56.777 56.400 -1.054 0.000 0.834 1034 E CB -0.047 29.212 29.700 -0.736 0.000 0.772 1034 E HN 0.591 nan 8.360 nan 0.000 0.479 1035 M N 0.708 119.370 119.600 -1.563 0.000 2.195 1035 M HA -0.213 4.275 4.480 0.013 0.000 0.260 1035 M C 1.149 177.038 176.300 -0.686 0.000 1.066 1035 M CA 1.888 56.469 55.300 -1.198 0.000 1.089 1035 M CB 0.166 32.461 32.600 -0.508 0.000 1.377 1035 M HN 0.024 nan 8.290 nan 0.000 0.411 1036 E N -1.346 118.385 120.200 -0.781 0.000 2.276 1036 E HA -0.030 4.328 4.350 0.013 0.000 0.193 1036 E C 1.827 177.989 176.600 -0.729 0.000 0.983 1036 E CA 0.603 56.597 56.400 -0.676 0.000 0.861 1036 E CB -0.020 29.177 29.700 -0.839 0.000 0.817 1036 E HN 0.297 nan 8.360 nan 0.000 0.485 1037 V N 0.551 119.903 119.914 -0.936 0.000 2.295 1037 V HA -0.253 3.875 4.120 0.013 0.000 0.246 1037 V C 1.758 177.838 176.094 -0.023 0.000 1.049 1037 V CA 1.597 63.675 62.300 -0.370 0.000 1.024 1037 V CB -0.637 31.008 31.823 -0.297 0.000 0.648 1037 V HN 0.369 nan 8.190 nan 0.000 0.447 1038 W N 0.439 121.686 121.300 -0.088 0.000 2.301 1038 W HA -0.275 4.392 4.660 0.011 0.000 0.325 1038 W C 2.852 179.348 176.519 -0.037 0.000 1.250 1038 W CA 1.788 59.103 57.345 -0.051 0.000 1.261 1038 W CB -1.908 27.509 29.460 -0.070 0.000 1.157 1038 W HN 0.336 nan 8.180 nan 0.000 0.473 1039 A N 0.290 123.212 122.820 0.169 0.000 1.909 1039 A HA -0.259 4.069 4.320 0.013 0.000 0.221 1039 A C 2.118 179.774 177.584 0.120 0.000 1.223 1039 A CA 2.768 54.850 52.037 0.076 0.000 0.658 1039 A CB -1.151 17.895 19.000 0.077 0.000 0.831 1039 A HN 0.215 nan 8.150 nan 0.000 0.462 1040 L N -0.468 120.902 121.223 0.246 0.000 2.027 1040 L HA -0.143 4.205 4.340 0.013 0.000 0.206 1040 L C 2.482 179.507 176.870 0.258 0.000 1.074 1040 L CA 2.210 57.253 54.840 0.338 0.000 0.745 1040 L CB -0.835 41.448 42.059 0.374 0.000 0.898 1040 L HN 0.526 nan 8.230 nan 0.000 0.433 1041 E N -0.546 119.780 120.200 0.210 0.000 2.035 1041 E HA -0.348 4.010 4.350 0.013 0.000 0.204 1041 E C 2.210 178.890 176.600 0.134 0.000 1.025 1041 E CA 1.465 57.968 56.400 0.171 0.000 0.835 1041 E CB -0.470 29.337 29.700 0.178 0.000 0.764 1041 E HN 0.525 nan 8.360 nan 0.000 0.457 1042 A N 1.021 123.892 122.820 0.085 0.000 1.896 1042 A HA -0.271 4.057 4.320 0.013 0.000 0.220 1042 A C 2.045 179.657 177.584 0.047 0.000 1.206 1042 A CA 1.948 53.992 52.037 0.011 0.000 0.647 1042 A CB -1.386 17.561 19.000 -0.089 0.000 0.828 1042 A HN 0.412 nan 8.150 nan 0.000 0.455 1043 Y N -1.092 119.255 120.300 0.078 0.000 2.298 1043 Y HA -0.020 4.538 4.550 0.012 0.000 0.287 1043 Y C 2.050 177.987 175.900 0.061 0.000 1.164 1043 Y CA 0.842 58.982 58.100 0.066 0.000 1.229 1043 Y CB -0.129 38.374 38.460 0.072 0.000 0.977 1043 Y HN 0.612 nan 8.280 nan 0.000 0.538 1044 G N -0.526 108.409 108.800 0.225 0.000 2.131 1044 G HA2 -0.242 3.726 3.960 0.013 0.000 0.223 1044 G HA3 -0.242 3.726 3.960 0.013 0.000 0.223 1044 G C 0.171 175.167 174.900 0.159 0.000 0.990 1044 G CA -0.097 45.097 45.100 0.157 0.000 0.671 1044 G HN 0.616 nan 8.290 nan 0.000 0.521 1045 A N 0.206 123.145 122.820 0.197 0.000 2.981 1045 A HA 0.754 5.082 4.320 0.013 0.000 0.280 1045 A C 1.795 179.476 177.584 0.161 0.000 1.797 1045 A CA 1.149 53.282 52.037 0.161 0.000 1.456 1045 A CB -0.504 18.604 19.000 0.180 0.000 1.057 1045 A HN 1.844 nan 8.150 nan 0.000 0.602 1046 A N 1.573 124.500 122.820 0.178 0.000 1.827 1046 A HA -0.178 4.150 4.320 0.013 0.000 0.215 1046 A C 1.910 179.587 177.584 0.155 0.000 1.212 1046 A CA 1.814 53.965 52.037 0.189 0.000 0.624 1046 A CB -1.053 18.124 19.000 0.295 0.000 0.853 1046 A HN 0.852 nan 8.150 nan 0.000 0.450 1047 H N -0.942 118.145 119.070 0.028 0.000 2.387 1047 H HA -0.083 4.470 4.556 -0.005 0.000 0.299 1047 H C 2.274 177.604 175.328 0.003 0.000 1.090 1047 H CA 1.485 57.541 56.048 0.013 0.000 1.332 1047 H CB -0.412 29.352 29.762 0.004 0.000 1.386 1047 H HN 0.480 nan 8.280 nan 0.000 0.516 1048 T N 1.483 116.121 114.554 0.140 0.000 2.803 1048 T HA -0.137 4.221 4.350 0.013 0.000 0.269 1048 T C 2.116 176.826 174.700 0.016 0.000 1.052 1048 T CA 0.980 63.109 62.100 0.049 0.000 1.136 1048 T CB -0.253 68.637 68.868 0.036 0.000 0.864 1048 T HN 0.097 nan 8.240 nan 0.000 0.467 1049 L N 0.645 121.908 121.223 0.067 0.000 2.102 1049 L HA 0.108 4.456 4.340 0.013 0.000 0.202 1049 L C 2.639 179.530 176.870 0.035 0.000 1.076 1049 L CA 1.581 56.469 54.840 0.079 0.000 0.761 1049 L CB -0.679 41.464 42.059 0.139 0.000 0.921 1049 L HN 0.193 nan 8.230 nan 0.000 0.444 1050 Q N -0.194 119.614 119.800 0.013 0.000 2.045 1050 Q HA -0.331 4.017 4.340 0.013 0.000 0.206 1050 Q C 2.154 178.140 176.000 -0.023 0.000 0.991 1050 Q CA 2.530 58.318 55.803 -0.026 0.000 0.851 1050 Q CB -0.337 28.334 28.738 -0.111 0.000 0.911 1050 Q HN 0.609 nan 8.270 nan 0.000 0.418 1051 E N -0.626 119.562 120.200 -0.019 0.000 2.097 1051 E HA -0.245 4.113 4.350 0.013 0.000 0.196 1051 E C 1.862 178.424 176.600 -0.062 0.000 1.000 1051 E CA 1.682 58.065 56.400 -0.029 0.000 0.804 1051 E CB -0.048 29.641 29.700 -0.018 0.000 0.740 1051 E HN 0.367 nan 8.360 nan 0.000 0.454 1052 M N -0.306 119.232 119.600 -0.105 0.000 2.296 1052 M HA -0.051 4.437 4.480 0.013 0.000 0.265 1052 M C 1.561 177.824 176.300 -0.062 0.000 1.064 1052 M CA 1.246 56.444 55.300 -0.169 0.000 1.109 1052 M CB 0.169 32.528 32.600 -0.403 0.000 1.396 1052 M HN 0.153 nan 8.290 nan 0.000 0.430 1053 L N -2.187 119.028 121.223 -0.012 0.000 2.513 1053 L HA 0.113 4.461 4.340 0.013 0.000 0.222 1053 L C 1.670 178.537 176.870 -0.004 0.000 1.096 1053 L CA 0.718 55.567 54.840 0.015 0.000 0.857 1053 L CB -0.791 41.295 42.059 0.045 0.000 1.026 1053 L HN 0.353 nan 8.230 nan 0.000 0.469 1054 T N -3.314 111.230 114.554 -0.017 0.000 2.709 1054 T HA 0.159 4.517 4.350 0.013 0.000 0.174 1054 T C 1.535 176.216 174.700 -0.032 0.000 0.774 1054 T CA -0.309 61.780 62.100 -0.020 0.000 1.309 1054 T CB -0.527 68.332 68.868 -0.015 0.000 2.586 1054 T HN -0.058 nan 8.240 nan 0.000 0.401 1055 L N 1.294 122.504 121.223 -0.021 0.000 2.256 1055 L HA -0.216 4.132 4.340 0.013 0.000 0.218 1055 L C 2.450 179.306 176.870 -0.023 0.000 1.089 1055 L CA 1.801 56.634 54.840 -0.013 0.000 0.777 1055 L CB -0.701 41.359 42.059 0.003 0.000 0.890 1055 L HN 0.472 nan 8.230 nan 0.000 0.439 1056 K N -1.958 118.418 120.400 -0.040 0.000 2.374 1056 K HA 0.139 4.467 4.320 0.013 0.000 0.196 1056 K C 1.358 177.906 176.600 -0.087 0.000 1.023 1056 K CA 0.309 56.567 56.287 -0.049 0.000 1.103 1056 K CB 0.657 33.123 32.500 -0.056 0.000 0.848 1056 K HN 0.174 nan 8.250 nan 0.000 0.528 1057 S N -0.199 115.439 115.700 -0.103 0.000 3.792 1057 S HA 0.000 4.478 4.470 0.013 0.000 0.229 1057 S C 0.860 175.363 174.600 -0.163 0.000 1.118 1057 S CA -0.073 58.047 58.200 -0.132 0.000 0.877 1057 S CB 0.163 63.323 63.200 -0.066 0.000 1.077 1057 S HN 0.113 nan 8.310 nan 0.000 0.546 1058 D N 1.227 121.569 120.400 -0.097 0.000 2.514 1058 D HA 0.101 4.749 4.640 0.013 0.000 0.249 1058 D C -0.109 176.155 176.300 -0.059 0.000 1.036 1058 D CA 0.284 54.236 54.000 -0.080 0.000 0.911 1058 D CB -0.005 40.774 40.800 -0.034 0.000 1.145 1058 D HN 0.108 nan 8.370 nan 0.000 0.495 1059 D N 1.556 121.933 120.400 -0.038 0.000 2.380 1059 D HA -0.082 4.566 4.640 0.013 0.000 0.270 1059 D C 1.633 177.917 176.300 -0.025 0.000 1.363 1059 D CA -0.122 53.868 54.000 -0.017 0.000 1.057 1059 D CB 0.348 41.143 40.800 -0.007 0.000 1.096 1059 D HN 0.124 nan 8.370 nan 0.000 0.524 1060 I N 3.764 124.321 120.570 -0.021 0.000 2.315 1060 I HA -0.240 3.938 4.170 0.013 0.000 0.251 1060 I C 1.706 177.833 176.117 0.017 0.000 1.125 1060 I CA 1.684 62.977 61.300 -0.011 0.000 1.392 1060 I CB 0.054 38.058 38.000 0.007 0.000 1.065 1060 I HN 0.363 nan 8.210 nan 0.000 0.424 1061 E N -0.408 119.804 120.200 0.020 0.000 2.299 1061 E HA -0.009 4.349 4.350 0.013 0.000 0.193 1061 E C 2.184 178.800 176.600 0.025 0.000 0.998 1061 E CA 0.657 57.074 56.400 0.028 0.000 0.851 1061 E CB -0.325 29.390 29.700 0.025 0.000 0.795 1061 E HN 0.651 nan 8.360 nan 0.000 0.492 1062 G N 1.350 110.159 108.800 0.014 0.000 2.434 1062 G HA2 -0.262 3.706 3.960 0.013 0.000 0.214 1062 G HA3 -0.262 3.706 3.960 0.013 0.000 0.214 1062 G C 1.575 176.493 174.900 0.029 0.000 1.202 1062 G CA 0.177 45.285 45.100 0.014 0.000 0.788 1062 G HN 0.054 nan 8.290 nan 0.000 0.539 1063 R N 0.758 121.271 120.500 0.022 0.000 2.127 1063 R HA -0.088 4.260 4.340 0.013 0.000 0.238 1063 R C 2.208 178.569 176.300 0.102 0.000 1.134 1063 R CA 1.284 57.413 56.100 0.047 0.000 0.975 1063 R CB -0.690 29.617 30.300 0.012 0.000 0.865 1063 R HN 0.356 nan 8.270 nan 0.000 0.447 1064 N N 0.411 119.164 118.700 0.089 0.000 2.028 1064 N HA -0.147 4.601 4.740 0.013 0.000 0.194 1064 N C 1.642 177.230 175.510 0.129 0.000 1.050 1064 N CA 1.844 54.968 53.050 0.122 0.000 0.848 1064 N CB -0.200 38.338 38.487 0.085 0.000 1.038 1064 N HN 0.250 nan 8.380 nan 0.000 0.423 1065 A N 0.974 123.840 122.820 0.077 0.000 1.948 1065 A HA -0.101 4.227 4.320 0.013 0.000 0.220 1065 A C 2.391 180.007 177.584 0.054 0.000 1.177 1065 A CA 2.219 54.288 52.037 0.052 0.000 0.636 1065 A CB -0.907 18.111 19.000 0.030 0.000 0.815 1065 A HN 0.497 nan 8.150 nan 0.000 0.449 1066 A N -1.193 121.670 122.820 0.072 0.000 1.845 1066 A HA -0.104 4.224 4.320 0.013 0.000 0.215 1066 A C 2.133 179.771 177.584 0.091 0.000 1.195 1066 A CA 1.751 53.830 52.037 0.070 0.000 0.616 1066 A CB -1.055 17.991 19.000 0.076 0.000 0.832 1066 A HN 0.726 nan 8.150 nan 0.000 0.443 1067 Y N 0.769 121.083 120.300 0.022 0.000 2.040 1067 Y HA -0.307 4.250 4.550 0.013 0.000 0.275 1067 Y C 2.412 178.322 175.900 0.017 0.000 1.171 1067 Y CA 2.475 60.589 58.100 0.024 0.000 1.123 1067 Y CB -0.783 37.697 38.460 0.035 0.000 0.963 1067 Y HN 0.587 nan 8.280 nan 0.000 0.493 1068 E N 0.010 120.166 120.200 -0.072 0.000 2.035 1068 E HA -0.346 4.012 4.350 0.013 0.000 0.204 1068 E C 2.313 178.821 176.600 -0.154 0.000 1.025 1068 E CA 1.722 58.034 56.400 -0.147 0.000 0.835 1068 E CB -0.573 29.118 29.700 -0.015 0.000 0.764 1068 E HN 0.550 nan 8.360 nan 0.000 0.457 1069 A N 1.097 123.872 122.820 -0.074 0.000 1.896 1069 A HA -0.259 4.069 4.320 0.013 0.000 0.220 1069 A C 2.275 179.808 177.584 -0.085 0.000 1.206 1069 A CA 2.304 54.306 52.037 -0.059 0.000 0.647 1069 A CB -1.016 17.969 19.000 -0.025 0.000 0.828 1069 A HN 0.460 nan 8.150 nan 0.000 0.455 1070 I N -0.162 120.346 120.570 -0.103 0.000 2.286 1070 I HA -0.225 3.953 4.170 0.013 0.000 0.248 1070 I C 2.036 178.060 176.117 -0.155 0.000 1.115 1070 I CA 0.782 62.019 61.300 -0.104 0.000 1.392 1070 I CB -0.340 37.616 38.000 -0.074 0.000 1.065 1070 I HN 0.268 nan 8.210 nan 0.000 0.418 1071 I N 0.921 121.330 120.570 -0.268 0.000 2.454 1071 I HA -0.257 3.921 4.170 0.013 0.000 0.254 1071 I C 2.333 178.363 176.117 -0.145 0.000 1.156 1071 I CA 1.627 62.768 61.300 -0.265 0.000 1.433 1071 I CB -0.964 36.818 38.000 -0.363 0.000 1.082 1071 I HN 0.283 nan 8.210 nan 0.000 0.432 1072 K N 0.415 120.743 120.400 -0.120 0.000 2.379 1072 K HA 0.122 4.450 4.320 0.013 0.000 0.194 1072 K C 1.021 177.587 176.600 -0.056 0.000 1.031 1072 K CA 0.625 56.866 56.287 -0.075 0.000 1.037 1072 K CB 0.235 32.697 32.500 -0.064 0.000 0.824 1072 K HN 0.340 nan 8.250 nan 0.000 0.516 1073 G N 1.763 110.527 108.800 -0.059 0.000 2.225 1073 G HA2 -0.290 3.678 3.960 0.013 0.000 0.264 1073 G HA3 -0.290 3.678 3.960 0.013 0.000 0.264 1073 G C -0.213 174.667 174.900 -0.034 0.000 1.060 1073 G CA 0.701 45.775 45.100 -0.042 0.000 0.833 1073 G HN 0.478 nan 8.290 nan 0.000 0.498 1074 E N -0.955 119.223 120.200 -0.037 0.000 2.568 1074 E HA 0.483 4.841 4.350 0.013 0.000 0.242 1074 E C -1.101 175.486 176.600 -0.022 0.000 0.945 1074 E CA -0.928 55.455 56.400 -0.028 0.000 0.918 1074 E CB 1.041 30.723 29.700 -0.030 0.000 1.386 1074 E HN 0.004 nan 8.360 nan 0.000 0.426 1075 D N 1.485 121.875 120.400 -0.016 0.000 2.392 1075 D HA 0.158 4.806 4.640 0.013 0.000 0.228 1075 D C -0.453 175.846 176.300 -0.003 0.000 1.074 1075 D CA -0.362 53.632 54.000 -0.009 0.000 0.838 1075 D CB 1.219 42.014 40.800 -0.008 0.000 1.067 1075 D HN 0.342 nan 8.370 nan 0.000 0.511 1076 V N 3.799 123.715 119.914 0.003 0.000 2.902 1076 V HA 0.036 4.164 4.120 0.013 0.000 0.297 1076 V C -2.243 173.860 176.094 0.014 0.000 1.230 1076 V CA -0.646 61.660 62.300 0.011 0.000 1.344 1076 V CB -0.071 31.764 31.823 0.020 0.000 0.889 1076 V HN 0.431 nan 8.190 nan 0.000 0.515 1077 P HA 0.265 nan 4.420 nan 0.000 0.274 1077 P C -0.654 176.654 177.300 0.013 0.000 1.260 1077 P CA -0.265 62.841 63.100 0.010 0.000 0.793 1077 P CB 0.330 32.034 31.700 0.007 0.000 1.048 1078 E N 0.898 121.103 120.200 0.007 0.000 2.301 1078 E HA 0.256 4.614 4.350 0.013 0.000 0.275 1078 E C -2.029 174.565 176.600 -0.010 0.000 1.030 1078 E CA -1.829 54.574 56.400 0.004 0.000 0.852 1078 E CB -0.683 29.019 29.700 0.003 0.000 1.060 1078 E HN 0.285 nan 8.360 nan 0.000 0.401 1079 P HA -0.012 nan 4.420 nan 0.000 0.263 1079 P C -0.419 176.859 177.300 -0.038 0.000 1.195 1079 P CA 0.252 63.335 63.100 -0.028 0.000 0.762 1079 P CB 0.497 32.173 31.700 -0.041 0.000 0.799 1080 S N 1.467 117.147 115.700 -0.032 0.000 2.707 1080 S HA 0.353 4.831 4.470 0.013 0.000 0.276 1080 S C 0.083 174.653 174.600 -0.050 0.000 1.179 1080 S CA -0.950 57.224 58.200 -0.044 0.000 0.992 1080 S CB 0.477 63.659 63.200 -0.029 0.000 1.030 1080 S HN 0.144 nan 8.310 nan 0.000 0.554 1081 V N 3.216 123.080 119.914 -0.083 0.000 2.506 1081 V HA 0.113 4.241 4.120 0.013 0.000 0.296 1081 V C -2.043 174.059 176.094 0.014 0.000 1.004 1081 V CA -0.704 61.536 62.300 -0.100 0.000 1.150 1081 V CB -0.686 31.000 31.823 -0.230 0.000 0.911 1081 V HN 0.716 nan 8.190 nan 0.000 0.476 1082 P HA 0.017 nan 4.420 nan 0.000 0.262 1082 P C 0.859 178.229 177.300 0.117 0.000 1.182 1082 P CA 0.068 63.216 63.100 0.079 0.000 0.761 1082 P CB 0.491 32.246 31.700 0.091 0.000 0.795 1083 E N 1.349 121.594 120.200 0.075 0.000 2.233 1083 E HA -0.163 4.195 4.350 0.013 0.000 0.199 1083 E C 1.642 178.293 176.600 0.086 0.000 1.004 1083 E CA 1.478 57.923 56.400 0.076 0.000 0.819 1083 E CB -0.490 29.235 29.700 0.040 0.000 0.738 1083 E HN 0.394 nan 8.360 nan 0.000 0.478 1084 S N 0.183 115.931 115.700 0.080 0.000 2.402 1084 S HA -0.106 4.372 4.470 0.013 0.000 0.229 1084 S C 1.546 176.185 174.600 0.065 0.000 1.021 1084 S CA 0.650 58.883 58.200 0.056 0.000 0.974 1084 S CB -0.241 62.984 63.200 0.041 0.000 0.800 1084 S HN 0.279 nan 8.310 nan 0.000 0.484 1085 F N 2.744 122.698 119.950 0.007 0.000 2.098 1085 F HA 0.035 4.574 4.527 0.020 0.000 0.294 1085 F C 2.391 178.199 175.800 0.012 0.000 1.107 1085 F CA 1.392 59.398 58.000 0.010 0.000 1.234 1085 F CB -0.584 38.423 39.000 0.012 0.000 1.002 1085 F HN -0.004 nan 8.300 nan 0.000 0.472 1086 R N 0.187 120.935 120.500 0.414 0.000 2.097 1086 R HA -0.203 4.145 4.340 0.013 0.000 0.236 1086 R C 2.244 178.619 176.300 0.126 0.000 1.135 1086 R CA 2.297 58.555 56.100 0.264 0.000 0.934 1086 R CB -1.259 29.140 30.300 0.166 0.000 0.846 1086 R HN 0.296 nan 8.270 nan 0.000 0.431 1087 V N 1.013 120.974 119.914 0.077 0.000 2.660 1087 V HA -0.210 3.918 4.120 0.013 0.000 0.257 1087 V C 2.132 178.223 176.094 -0.006 0.000 1.088 1087 V CA 1.857 64.173 62.300 0.027 0.000 1.106 1087 V CB -0.224 31.610 31.823 0.019 0.000 0.686 1087 V HN 0.437 nan 8.190 nan 0.000 0.481 1088 L N -1.410 119.789 121.223 -0.039 0.000 2.102 1088 L HA -0.038 4.310 4.340 0.013 0.000 0.202 1088 L C 2.355 179.172 176.870 -0.089 0.000 1.076 1088 L CA 1.266 56.045 54.840 -0.101 0.000 0.761 1088 L CB -0.063 41.868 42.059 -0.213 0.000 0.921 1088 L HN 0.202 nan 8.230 nan 0.000 0.444 1089 V N -0.035 119.840 119.914 -0.065 0.000 2.252 1089 V HA -0.346 3.782 4.120 0.013 0.000 0.249 1089 V C 2.632 178.727 176.094 0.003 0.000 1.056 1089 V CA 1.732 64.030 62.300 -0.003 0.000 1.022 1089 V CB -0.761 31.131 31.823 0.115 0.000 0.641 1089 V HN 0.374 nan 8.190 nan 0.000 0.445 1090 K N 0.090 120.496 120.400 0.011 0.000 2.026 1090 K HA -0.162 4.166 4.320 0.013 0.000 0.208 1090 K C 2.132 178.726 176.600 -0.010 0.000 1.048 1090 K CA 1.545 57.832 56.287 0.001 0.000 0.929 1090 K CB -0.478 32.022 32.500 0.000 0.000 0.713 1090 K HN 0.604 nan 8.250 nan 0.000 0.439 1091 E N 0.479 120.669 120.200 -0.016 0.000 2.209 1091 E HA -0.155 4.203 4.350 0.013 0.000 0.196 1091 E C 1.969 178.556 176.600 -0.022 0.000 0.993 1091 E CA 0.712 57.100 56.400 -0.020 0.000 0.819 1091 E CB -0.048 29.637 29.700 -0.025 0.000 0.745 1091 E HN 0.162 nan 8.360 nan 0.000 0.477 1092 L N 0.546 121.753 121.223 -0.027 0.000 2.375 1092 L HA -0.106 4.242 4.340 0.013 0.000 0.215 1092 L C 2.312 179.173 176.870 -0.014 0.000 1.108 1092 L CA 0.481 55.306 54.840 -0.025 0.000 0.830 1092 L CB 0.091 42.127 42.059 -0.038 0.000 0.959 1092 L HN 0.090 nan 8.230 nan 0.000 0.457 1093 Q N -0.471 119.324 119.800 -0.009 0.000 2.163 1093 Q HA -0.028 4.320 4.340 0.013 0.000 0.198 1093 Q C 2.361 178.358 176.000 -0.006 0.000 0.954 1093 Q CA 1.205 57.006 55.803 -0.004 0.000 0.851 1093 Q CB -0.205 28.533 28.738 -0.001 0.000 0.928 1093 Q HN 0.477 nan 8.270 nan 0.000 0.459 1094 A N 1.454 124.268 122.820 -0.009 0.000 2.139 1094 A HA -0.067 4.261 4.320 0.013 0.000 0.221 1094 A C 1.300 178.879 177.584 -0.008 0.000 1.159 1094 A CA 0.973 53.005 52.037 -0.009 0.000 0.662 1094 A CB -0.623 18.371 19.000 -0.010 0.000 0.796 1094 A HN 0.390 nan 8.150 nan 0.000 0.463 1095 L N -6.548 114.670 121.223 -0.008 0.000 2.256 1095 L HA 0.913 5.261 4.340 0.013 0.000 0.261 1095 L C 1.263 178.129 176.870 -0.006 0.000 1.022 1095 L CA -0.190 54.645 54.840 -0.007 0.000 0.828 1095 L CB 0.739 42.792 42.059 -0.009 0.000 1.374 1095 L HN -0.003 nan 8.230 nan 0.000 0.436 1096 A N 0.354 123.171 122.820 -0.005 0.000 1.896 1096 A HA -0.077 4.251 4.320 0.013 0.000 0.220 1096 A C 1.149 178.731 177.584 -0.003 0.000 1.206 1096 A CA 1.402 53.437 52.037 -0.003 0.000 0.647 1096 A CB -1.005 17.994 19.000 -0.003 0.000 0.828 1096 A HN 0.627 nan 8.150 nan 0.000 0.455 1097 L N 0.291 121.511 121.223 -0.005 0.000 2.628 1097 L HA 0.023 4.371 4.340 0.013 0.000 0.292 1097 L C 0.010 176.878 176.870 -0.004 0.000 1.250 1097 L CA 0.972 55.808 54.840 -0.006 0.000 0.892 1097 L CB -0.607 41.445 42.059 -0.011 0.000 1.138 1097 L HN 0.566 nan 8.230 nan 0.000 0.502 1098 D N 2.646 123.046 120.400 -0.000 0.000 2.440 1098 D HA 0.317 4.965 4.640 0.013 0.000 0.252 1098 D C -0.950 175.356 176.300 0.009 0.000 1.180 1098 D CA -0.458 53.545 54.000 0.005 0.000 0.894 1098 D CB 0.986 41.791 40.800 0.009 0.000 1.111 1098 D HN 0.162 nan 8.370 nan 0.000 0.544 1099 V N 3.916 123.835 119.914 0.007 0.000 2.372 1099 V HA 0.297 4.425 4.120 0.013 0.000 0.261 1099 V C 0.075 176.196 176.094 0.045 0.000 1.055 1099 V CA -0.275 62.032 62.300 0.012 0.000 0.930 1099 V CB 0.670 32.482 31.823 -0.019 0.000 1.031 1099 V HN 0.545 nan 8.190 nan 0.000 0.479 1100 Q N 4.186 124.017 119.800 0.051 0.000 2.322 1100 Q HA 0.470 4.818 4.340 0.013 0.000 0.265 1100 Q C 0.051 176.105 176.000 0.089 0.000 0.985 1100 Q CA -0.389 55.455 55.803 0.068 0.000 0.849 1100 Q CB 1.717 30.482 28.738 0.046 0.000 1.274 1100 Q HN 0.877 nan 8.270 nan 0.000 0.449 1101 T N 1.488 116.114 114.554 0.120 0.000 2.910 1101 T HA 0.638 4.996 4.350 0.013 0.000 0.293 1101 T C -0.301 174.441 174.700 0.070 0.000 1.015 1101 T CA -0.499 61.677 62.100 0.127 0.000 1.094 1101 T CB 0.513 69.457 68.868 0.127 0.000 0.968 1101 T HN 0.389 nan 8.240 nan 0.000 0.521 1102 L N 1.898 123.156 121.223 0.058 0.000 2.309 1102 L HA 0.637 4.985 4.340 0.013 0.000 0.261 1102 L C 0.270 177.155 176.870 0.024 0.000 1.021 1102 L CA -0.736 54.127 54.840 0.037 0.000 0.823 1102 L CB 1.922 44.001 42.059 0.034 0.000 1.366 1102 L HN 0.767 nan 8.230 nan 0.000 0.423 1103 D N -0.846 119.564 120.400 0.017 0.000 2.469 1103 D HA 0.181 4.829 4.640 0.013 0.000 0.278 1103 D C 0.967 177.273 176.300 0.011 0.000 1.231 1103 D CA -0.214 53.791 54.000 0.009 0.000 1.075 1103 D CB 0.843 41.647 40.800 0.006 0.000 1.121 1103 D HN 0.464 nan 8.370 nan 0.000 0.571 1104 E N 0.036 120.240 120.200 0.007 0.000 2.007 1104 E HA -0.160 4.198 4.350 0.013 0.000 0.203 1104 E C 0.227 176.833 176.600 0.010 0.000 1.020 1104 E CA 1.357 57.761 56.400 0.008 0.000 0.845 1104 E CB -0.626 29.077 29.700 0.006 0.000 0.779 1104 E HN 0.406 nan 8.360 nan 0.000 0.466 1105 K N 2.782 123.187 120.400 0.008 0.000 2.297 1105 K HA 0.138 4.466 4.320 0.013 0.000 0.286 1105 K C -0.399 176.207 176.600 0.011 0.000 1.053 1105 K CA -0.224 56.069 56.287 0.009 0.000 0.940 1105 K CB 0.394 32.899 32.500 0.007 0.000 1.019 1105 K HN -0.174 nan 8.250 nan 0.000 0.475 1106 D N 3.727 124.134 120.400 0.013 0.000 2.668 1106 D HA -0.098 4.550 4.640 0.013 0.000 0.285 1106 D C -0.428 175.881 176.300 0.015 0.000 1.492 1106 D CA 0.871 54.880 54.000 0.015 0.000 1.237 1106 D CB -0.351 40.458 40.800 0.015 0.000 1.153 1106 D HN 0.500 nan 8.370 nan 0.000 0.571 1107 N N 1.386 120.095 118.700 0.016 0.000 2.853 1107 N HA 0.376 5.124 4.740 0.013 0.000 0.258 1107 N C -2.738 172.783 175.510 0.018 0.000 1.444 1107 N CA -1.336 51.724 53.050 0.015 0.000 0.837 1107 N CB 2.584 41.078 38.487 0.012 0.000 1.489 1107 N HN -0.083 nan 8.380 nan 0.000 0.529 1108 P HA 0.333 nan 4.420 nan 0.000 0.275 1108 P C -0.832 176.479 177.300 0.018 0.000 1.266 1108 P CA -0.218 62.897 63.100 0.024 0.000 0.793 1108 P CB 0.869 32.584 31.700 0.026 0.000 1.074 1109 V N 0.316 120.242 119.914 0.019 0.000 3.077 1109 V HA 0.265 4.393 4.120 0.013 0.000 0.299 1109 V C -1.351 174.746 176.094 0.005 0.000 1.276 1109 V CA -0.564 61.737 62.300 0.003 0.000 0.993 1109 V CB 2.531 34.347 31.823 -0.012 0.000 1.076 1109 V HN 0.395 nan 8.190 nan 0.000 0.434 1110 D N 2.685 123.083 120.400 -0.004 0.000 2.349 1110 D HA 0.477 5.125 4.640 0.013 0.000 0.232 1110 D C 1.052 177.347 176.300 -0.009 0.000 1.071 1110 D CA -0.325 53.685 54.000 0.017 0.000 0.832 1110 D CB 1.823 42.642 40.800 0.032 0.000 1.086 1110 D HN 0.469 nan 8.370 nan 0.000 0.504 1111 I N 0.045 120.619 120.570 0.005 0.000 2.315 1111 I HA -0.028 4.150 4.170 0.013 0.000 0.248 1111 I C 1.124 177.281 176.117 0.066 0.000 1.117 1111 I CA 0.754 62.043 61.300 -0.019 0.000 1.404 1111 I CB -0.203 37.789 38.000 -0.014 0.000 1.071 1111 I HN 0.157 nan 8.210 nan 0.000 0.419 1112 F N 0.000 119.935 119.950 -0.024 0.000 2.286 1112 F HA 0.000 4.536 4.527 0.016 0.000 0.279 1112 F CA 0.000 57.993 58.000 -0.012 0.000 1.383 1112 F CB 0.000 39.001 39.000 0.001 0.000 1.145 1112 F HN 0.000 nan 8.300 nan 0.000 0.574