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 2ppb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEIKRFGRIR EVIPLPPLTE IQVESYRRAL QADVPPEKRE NVGIQAAFRE DATA SEQUENCE TFPIEEEDKG KGGLVLDFLE 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 FKGESEPTPE ERLLRSIFGE KARDVKDTSL 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 IFEGLASKR 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 0.000 176.285 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.011 0.000 1.302 2 E N 2.257 122.424 120.200 -0.055 0.000 2.235 2 E HA 0.750 5.100 4.350 -0.001 0.000 0.265 2 E C -1.265 175.266 176.600 -0.115 0.000 0.940 2 E CA -0.933 55.426 56.400 -0.067 0.000 0.819 2 E CB 2.475 32.133 29.700 -0.071 0.000 1.206 2 E HN 0.345 nan 8.360 nan 0.000 0.409 3 I N 2.083 122.590 120.570 -0.106 0.000 2.533 3 I HA 0.300 4.469 4.170 -0.001 0.000 0.290 3 I C -0.526 175.494 176.117 -0.162 0.000 1.056 3 I CA -0.580 60.630 61.300 -0.149 0.000 1.057 3 I CB 1.646 39.596 38.000 -0.083 0.000 1.240 3 I HN 0.370 nan 8.210 nan 0.000 0.423 4 K N 6.753 127.012 120.400 -0.234 0.000 2.463 4 K HA 0.543 4.863 4.320 -0.001 0.000 0.255 4 K C -0.911 175.475 176.600 -0.356 0.000 0.942 4 K CA -0.712 55.415 56.287 -0.267 0.000 0.814 4 K CB 1.706 34.027 32.500 -0.298 0.000 1.122 4 K HN 0.580 nan 8.250 nan 0.000 0.425 5 R N 4.280 124.632 120.500 -0.247 0.000 2.215 5 R HA 0.252 4.591 4.340 -0.001 0.000 0.336 5 R C 0.452 176.696 176.300 -0.092 0.000 0.996 5 R CA -0.444 55.584 56.100 -0.119 0.000 0.847 5 R CB 0.346 30.630 30.300 -0.026 0.000 1.127 5 R HN 0.446 nan 8.270 nan 0.000 0.465 6 F N 1.306 121.289 119.950 0.055 0.000 2.009 6 F HA 0.018 4.545 4.527 -0.001 0.000 0.293 6 F C 1.986 177.813 175.800 0.046 0.000 1.156 6 F CA 0.831 58.867 58.000 0.061 0.000 1.168 6 F CB -0.838 38.205 39.000 0.071 0.000 0.981 6 F HN 0.572 nan 8.300 nan 0.000 0.475 7 G N 0.926 109.903 108.800 0.295 0.000 2.353 7 G HA2 0.261 4.221 3.960 -0.001 0.000 0.239 7 G HA3 0.261 4.221 3.960 -0.001 0.000 0.239 7 G C -0.223 174.746 174.900 0.114 0.000 1.295 7 G CA -0.316 44.882 45.100 0.165 0.000 0.884 7 G HN 0.032 nan 8.290 nan 0.000 0.537 8 R N 1.676 122.233 120.500 0.094 0.000 2.472 8 R HA 0.275 4.615 4.340 -0.001 0.000 0.294 8 R C -0.487 175.850 176.300 0.062 0.000 1.243 8 R CA -0.650 55.493 56.100 0.070 0.000 1.023 8 R CB 0.914 31.251 30.300 0.061 0.000 1.157 8 R HN 0.657 nan 8.270 nan 0.000 0.530 9 I N 0.971 121.576 120.570 0.058 0.000 2.439 9 I HA 0.471 4.641 4.170 -0.001 0.000 0.283 9 I C 0.345 176.488 176.117 0.043 0.000 1.023 9 I CA -1.155 60.176 61.300 0.051 0.000 1.100 9 I CB 1.703 39.738 38.000 0.059 0.000 1.238 9 I HN -0.101 nan 8.210 nan 0.000 0.445 10 R N 4.285 124.806 120.500 0.035 0.000 2.586 10 R HA -0.002 4.337 4.340 -0.001 0.000 0.346 10 R C 0.223 176.542 176.300 0.031 0.000 1.044 10 R CA 0.200 56.318 56.100 0.031 0.000 1.004 10 R CB -0.127 30.188 30.300 0.025 0.000 0.968 10 R HN 0.723 nan 8.270 nan 0.000 0.438 11 E N 2.868 123.093 120.200 0.042 0.000 2.311 11 E HA -0.075 4.274 4.350 -0.001 0.000 0.247 11 E C 0.875 177.507 176.600 0.055 0.000 1.215 11 E CA -0.117 56.316 56.400 0.054 0.000 0.957 11 E CB 0.495 30.244 29.700 0.082 0.000 1.020 11 E HN 0.302 nan 8.360 nan 0.000 0.461 12 V N 5.945 125.880 119.914 0.035 0.000 2.453 12 V HA -0.061 4.059 4.120 -0.001 0.000 0.247 12 V C 0.822 176.954 176.094 0.063 0.000 1.048 12 V CA 1.720 64.040 62.300 0.034 0.000 1.049 12 V CB -0.095 31.733 31.823 0.008 0.000 0.672 12 V HN 0.609 nan 8.190 nan 0.000 0.457 13 I N -3.283 117.357 120.570 0.117 0.000 2.769 13 I HA 0.633 4.803 4.170 -0.001 0.000 0.298 13 I C -2.900 173.380 176.117 0.272 0.000 1.128 13 I CA -2.661 58.745 61.300 0.177 0.000 1.031 13 I CB 1.710 39.827 38.000 0.196 0.000 1.235 13 I HN -0.153 nan 8.210 nan 0.000 0.423 14 P HA 0.251 nan 4.420 nan 0.000 0.272 14 P C -0.930 176.319 177.300 -0.086 0.000 1.240 14 P CA -0.288 62.847 63.100 0.060 0.000 0.791 14 P CB 0.454 32.159 31.700 0.008 0.000 0.978 15 L N 3.304 124.360 121.223 -0.279 0.000 2.455 15 L HA 0.219 4.559 4.340 -0.001 0.000 0.272 15 L C -1.745 174.916 176.870 -0.349 0.000 1.174 15 L CA -0.923 53.545 54.840 -0.619 0.000 0.869 15 L CB -0.979 40.816 42.059 -0.440 0.000 1.130 15 L HN 0.354 nan 8.230 nan 0.000 0.474 16 P HA 0.071 nan 4.420 nan 0.000 0.278 16 P C -2.522 174.692 177.300 -0.142 0.000 1.270 16 P CA -0.837 62.160 63.100 -0.172 0.000 0.800 16 P CB -0.297 31.308 31.700 -0.157 0.000 1.142 17 P HA 0.112 nan 4.420 nan 0.000 0.274 17 P C 0.555 177.805 177.300 -0.083 0.000 1.291 17 P CA 0.076 63.128 63.100 -0.081 0.000 0.815 17 P CB 0.071 31.734 31.700 -0.061 0.000 0.897 18 L N 3.440 124.616 121.223 -0.079 0.000 1.963 18 L HA -0.249 4.090 4.340 -0.001 0.000 0.220 18 L C 2.097 178.933 176.870 -0.056 0.000 1.076 18 L CA 2.572 57.371 54.840 -0.069 0.000 0.772 18 L CB -1.535 40.492 42.059 -0.054 0.000 0.892 18 L HN 0.358 nan 8.230 nan 0.000 0.435 19 T N -2.617 111.909 114.554 -0.047 0.000 3.228 19 T HA -0.145 4.205 4.350 -0.001 0.000 0.261 19 T C 1.476 176.150 174.700 -0.044 0.000 1.171 19 T CA 0.674 62.748 62.100 -0.043 0.000 1.056 19 T CB -0.556 68.287 68.868 -0.041 0.000 0.938 19 T HN 0.503 nan 8.240 nan 0.000 0.539 20 E N 1.901 122.070 120.200 -0.051 0.000 2.095 20 E HA -0.325 4.024 4.350 -0.001 0.000 0.212 20 E C 1.828 178.404 176.600 -0.040 0.000 1.044 20 E CA 2.365 58.734 56.400 -0.051 0.000 0.857 20 E CB -0.535 29.122 29.700 -0.073 0.000 0.764 20 E HN 0.612 nan 8.360 nan 0.000 0.462 21 I N 1.120 121.663 120.570 -0.045 0.000 2.065 21 I HA -0.380 3.790 4.170 -0.001 0.000 0.236 21 I C 2.800 178.912 176.117 -0.008 0.000 1.028 21 I CA 2.051 63.331 61.300 -0.033 0.000 1.299 21 I CB -1.343 36.635 38.000 -0.037 0.000 1.015 21 I HN 0.170 nan 8.210 nan 0.000 0.396 22 Q N 0.507 120.300 119.800 -0.012 0.000 2.084 22 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 22 Q C 2.508 178.513 176.000 0.007 0.000 0.978 22 Q CA 2.076 57.879 55.803 -0.001 0.000 0.844 22 Q CB -0.231 28.486 28.738 -0.034 0.000 0.898 22 Q HN 0.576 nan 8.270 nan 0.000 0.426 23 V N 1.005 120.911 119.914 -0.012 0.000 2.244 23 V HA -0.198 3.922 4.120 -0.001 0.000 0.244 23 V C 2.205 178.323 176.094 0.039 0.000 1.042 23 V CA 1.615 63.915 62.300 -0.000 0.000 1.006 23 V CB -0.514 31.297 31.823 -0.021 0.000 0.641 23 V HN 0.250 nan 8.190 nan 0.000 0.446 24 E N 0.037 120.249 120.200 0.020 0.000 2.150 24 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 24 E C 2.512 179.139 176.600 0.046 0.000 0.985 24 E CA 1.372 57.785 56.400 0.022 0.000 0.814 24 E CB -0.348 29.350 29.700 -0.002 0.000 0.752 24 E HN 0.495 nan 8.360 nan 0.000 0.466 25 S N -0.256 115.483 115.700 0.064 0.000 2.359 25 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 25 S C 1.815 176.514 174.600 0.165 0.000 1.035 25 S CA 0.982 59.239 58.200 0.094 0.000 1.018 25 S CB -0.249 63.013 63.200 0.103 0.000 0.876 25 S HN 0.308 nan 8.310 nan 0.000 0.448 26 Y N 1.989 122.306 120.300 0.028 0.000 2.509 26 Y HA 0.200 4.749 4.550 -0.001 0.000 0.293 26 Y C 2.395 178.305 175.900 0.018 0.000 1.133 26 Y CA 0.610 58.738 58.100 0.046 0.000 1.283 26 Y CB -0.156 38.338 38.460 0.056 0.000 1.001 26 Y HN 0.155 nan 8.280 nan 0.000 0.555 27 R N -0.260 120.275 120.500 0.059 0.000 2.061 27 R HA -0.144 4.195 4.340 -0.001 0.000 0.230 27 R C 2.376 178.654 176.300 -0.037 0.000 1.140 27 R CA 1.492 57.589 56.100 -0.006 0.000 0.940 27 R CB -0.304 30.004 30.300 0.013 0.000 0.839 27 R HN 0.237 nan 8.270 nan 0.000 0.429 28 R N 0.326 120.816 120.500 -0.017 0.000 2.096 28 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 28 R C 2.110 178.373 176.300 -0.062 0.000 1.127 28 R CA 1.379 57.465 56.100 -0.023 0.000 0.968 28 R CB -0.200 30.095 30.300 -0.009 0.000 0.861 28 R HN 0.217 nan 8.270 nan 0.000 0.440 29 A N 1.351 124.119 122.820 -0.086 0.000 1.849 29 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 29 A C 0.838 178.266 177.584 -0.258 0.000 1.202 29 A CA 1.411 53.351 52.037 -0.161 0.000 0.629 29 A CB -0.594 18.318 19.000 -0.147 0.000 0.834 29 A HN 0.326 nan 8.150 nan 0.000 0.447 30 L N -2.655 118.369 121.223 -0.332 0.000 2.297 30 L HA 0.460 4.800 4.340 -0.001 0.000 0.277 30 L C 0.496 177.319 176.870 -0.079 0.000 1.040 30 L CA -0.199 54.492 54.840 -0.248 0.000 0.867 30 L CB 1.020 42.855 42.059 -0.372 0.000 1.244 30 L HN 0.346 nan 8.230 nan 0.000 0.433 31 Q N 2.445 122.285 119.800 0.067 0.000 2.452 31 Q HA 0.027 4.366 4.340 -0.001 0.000 0.214 31 Q C 1.649 177.702 176.000 0.088 0.000 0.966 31 Q CA 0.631 56.501 55.803 0.111 0.000 0.964 31 Q CB 0.314 29.172 28.738 0.199 0.000 0.992 31 Q HN 0.982 nan 8.270 nan 0.000 0.517 32 A N 0.674 123.534 122.820 0.066 0.000 1.958 32 A HA -0.253 4.067 4.320 -0.001 0.000 0.221 32 A C 1.727 179.285 177.584 -0.044 0.000 1.178 32 A CA 2.009 54.035 52.037 -0.019 0.000 0.642 32 A CB -0.544 18.459 19.000 0.004 0.000 0.816 32 A HN 0.503 nan 8.150 nan 0.000 0.453 33 D N -0.886 119.503 120.400 -0.020 0.000 2.221 33 D HA -0.053 4.587 4.640 -0.001 0.000 0.204 33 D C 0.523 176.808 176.300 -0.025 0.000 0.982 33 D CA 1.256 55.246 54.000 -0.015 0.000 0.857 33 D CB -0.101 40.697 40.800 -0.004 0.000 0.934 33 D HN 0.312 nan 8.370 nan 0.000 0.475 34 V N -1.246 118.649 119.914 -0.032 0.000 2.513 34 V HA 0.485 4.604 4.120 -0.001 0.000 0.299 34 V C -2.223 173.825 176.094 -0.077 0.000 1.035 34 V CA -2.287 59.992 62.300 -0.035 0.000 0.889 34 V CB 1.285 33.103 31.823 -0.009 0.000 0.988 34 V HN -0.164 nan 8.190 nan 0.000 0.440 35 P HA 0.082 nan 4.420 nan 0.000 0.270 35 P C -2.094 175.138 177.300 -0.114 0.000 1.216 35 P CA -0.586 62.453 63.100 -0.102 0.000 0.788 35 P CB -0.114 31.550 31.700 -0.061 0.000 0.883 36 P HA -0.138 nan 4.420 nan 0.000 0.225 36 P C 1.179 178.506 177.300 0.044 0.000 1.148 36 P CA 1.275 64.341 63.100 -0.057 0.000 0.779 36 P CB -0.069 31.599 31.700 -0.053 0.000 0.780 37 E N -0.121 120.080 120.200 0.002 0.000 2.038 37 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 37 E C 0.502 177.122 176.600 0.035 0.000 1.000 37 E CA 0.825 57.234 56.400 0.015 0.000 0.803 37 E CB -0.196 29.502 29.700 -0.004 0.000 0.750 37 E HN 0.121 nan 8.360 nan 0.000 0.448 38 K N 1.548 121.965 120.400 0.029 0.000 2.491 38 K HA -0.065 4.254 4.320 -0.001 0.000 0.279 38 K C 0.992 177.632 176.600 0.066 0.000 1.026 38 K CA 0.523 56.834 56.287 0.038 0.000 1.070 38 K CB 0.377 32.894 32.500 0.029 0.000 0.887 38 K HN 0.070 nan 8.250 nan 0.000 0.481 39 R N 1.872 122.404 120.500 0.053 0.000 2.112 39 R HA -0.187 4.153 4.340 -0.001 0.000 0.242 39 R C 0.284 176.621 176.300 0.061 0.000 1.137 39 R CA 1.302 57.435 56.100 0.055 0.000 0.944 39 R CB -0.266 30.058 30.300 0.039 0.000 0.857 39 R HN 0.536 nan 8.270 nan 0.000 0.435 40 E N 1.647 121.879 120.200 0.053 0.000 2.786 40 E HA -0.124 4.226 4.350 -0.001 0.000 0.229 40 E C -0.441 176.194 176.600 0.057 0.000 1.181 40 E CA 0.286 56.713 56.400 0.045 0.000 0.945 40 E CB -0.406 29.316 29.700 0.037 0.000 1.004 40 E HN 0.372 nan 8.360 nan 0.000 0.515 41 N N 1.675 120.397 118.700 0.037 0.000 2.279 41 N HA 0.058 4.797 4.740 -0.001 0.000 0.226 41 N C -0.414 175.071 175.510 -0.041 0.000 1.126 41 N CA -0.316 52.743 53.050 0.015 0.000 0.846 41 N CB 0.476 38.978 38.487 0.026 0.000 1.050 41 N HN 0.059 nan 8.380 nan 0.000 0.502 42 V N -0.868 119.023 119.914 -0.037 0.000 3.336 42 V HA 0.702 4.822 4.120 -0.001 0.000 0.304 42 V C 1.594 177.620 176.094 -0.113 0.000 1.073 42 V CA 0.015 62.281 62.300 -0.057 0.000 1.074 42 V CB 0.345 32.149 31.823 -0.032 0.000 1.161 42 V HN 0.520 nan 8.190 nan 0.000 0.460 43 G N 0.507 109.237 108.800 -0.117 0.000 2.561 43 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.289 43 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.289 43 G C 0.659 175.371 174.900 -0.315 0.000 1.169 43 G CA 0.237 45.224 45.100 -0.189 0.000 0.980 43 G HN 0.549 nan 8.290 nan 0.000 0.550 44 I N 1.274 121.523 120.570 -0.534 0.000 2.064 44 I HA -0.293 3.876 4.170 -0.001 0.000 0.234 44 I C 2.886 178.672 176.117 -0.551 0.000 1.019 44 I CA 2.966 63.748 61.300 -0.864 0.000 1.301 44 I CB -1.499 36.055 38.000 -0.743 0.000 1.017 44 I HN 0.799 nan 8.210 nan 0.000 0.392 45 Q N 0.282 119.657 119.800 -0.708 0.000 2.112 45 Q HA -0.223 4.117 4.340 -0.001 0.000 0.206 45 Q C 2.221 178.017 176.000 -0.340 0.000 0.987 45 Q CA 2.365 57.712 55.803 -0.759 0.000 0.858 45 Q CB -0.034 28.149 28.738 -0.925 0.000 0.905 45 Q HN 0.548 nan 8.270 nan 0.000 0.420 46 A N 0.803 123.491 122.820 -0.219 0.000 1.858 46 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 46 A C 2.335 179.902 177.584 -0.029 0.000 1.190 46 A CA 1.790 53.769 52.037 -0.098 0.000 0.617 46 A CB -1.207 17.751 19.000 -0.069 0.000 0.827 46 A HN 0.575 nan 8.150 nan 0.000 0.443 47 A N -1.656 121.166 122.820 0.003 0.000 1.978 47 A HA -0.075 4.244 4.320 -0.001 0.000 0.220 47 A C 1.970 179.645 177.584 0.152 0.000 1.170 47 A CA 1.681 53.777 52.037 0.098 0.000 0.636 47 A CB -0.691 18.460 19.000 0.251 0.000 0.810 47 A HN 0.472 nan 8.150 nan 0.000 0.448 48 F N -0.122 119.830 119.950 0.003 0.000 2.146 48 F HA -0.038 4.488 4.527 -0.001 0.000 0.298 48 F C 2.322 178.083 175.800 -0.066 0.000 1.096 48 F CA 1.520 59.483 58.000 -0.061 0.000 1.275 48 F CB -0.371 38.404 39.000 -0.376 0.000 1.008 48 F HN 0.195 nan 8.300 nan 0.000 0.480 49 R N 0.396 120.934 120.500 0.063 0.000 2.200 49 R HA -0.073 4.267 4.340 -0.001 0.000 0.208 49 R C 2.207 178.566 176.300 0.099 0.000 1.033 49 R CA 0.831 56.964 56.100 0.055 0.000 1.000 49 R CB -0.343 29.948 30.300 -0.015 0.000 0.906 49 R HN 0.389 nan 8.270 nan 0.000 0.462 50 E N -0.326 119.921 120.200 0.079 0.000 2.118 50 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 50 E C 0.127 176.762 176.600 0.059 0.000 0.992 50 E CA 1.795 58.225 56.400 0.052 0.000 0.804 50 E CB 0.148 29.865 29.700 0.028 0.000 0.741 50 E HN 0.368 nan 8.360 nan 0.000 0.458 51 T N -2.063 112.545 114.554 0.089 0.000 3.231 51 T HA 0.176 4.526 4.350 -0.001 0.000 0.292 51 T C 0.619 175.383 174.700 0.106 0.000 1.001 51 T CA -0.571 61.563 62.100 0.056 0.000 0.920 51 T CB -0.121 68.736 68.868 -0.020 0.000 1.140 51 T HN 0.052 nan 8.240 nan 0.000 0.525 52 F N 2.805 122.803 119.950 0.080 0.000 2.188 52 F HA 0.332 4.858 4.527 -0.001 0.000 0.289 52 F C -1.906 173.929 175.800 0.059 0.000 1.082 52 F CA -0.509 57.550 58.000 0.098 0.000 1.282 52 F CB -0.562 38.499 39.000 0.102 0.000 1.060 52 F HN -0.033 nan 8.300 nan 0.000 0.493 53 P HA -0.012 nan 4.420 nan 0.000 0.257 53 P C -0.398 176.970 177.300 0.112 0.000 1.269 53 P CA 0.627 63.859 63.100 0.220 0.000 1.122 53 P CB -0.258 31.524 31.700 0.136 0.000 1.285 54 I N 2.641 123.264 120.570 0.088 0.000 2.329 54 I HA 0.093 4.263 4.170 -0.001 0.000 0.295 54 I C 0.357 176.473 176.117 -0.001 0.000 1.109 54 I CA -0.438 60.868 61.300 0.011 0.000 1.297 54 I CB 0.144 38.124 38.000 -0.034 0.000 1.433 54 I HN 0.073 nan 8.210 nan 0.000 0.509 55 E N 7.225 127.415 120.200 -0.017 0.000 2.081 55 E HA 0.246 4.596 4.350 -0.001 0.000 0.281 55 E C -1.009 175.567 176.600 -0.041 0.000 0.986 55 E CA -0.202 56.178 56.400 -0.033 0.000 0.796 55 E CB 0.682 30.350 29.700 -0.053 0.000 1.085 55 E HN 0.436 nan 8.360 nan 0.000 0.398 56 E N 3.982 124.160 120.200 -0.037 0.000 2.235 56 E HA 0.090 4.439 4.350 -0.001 0.000 0.252 56 E C -0.459 176.123 176.600 -0.030 0.000 0.886 56 E CA -0.189 56.192 56.400 -0.033 0.000 0.767 56 E CB 1.584 31.265 29.700 -0.032 0.000 1.205 56 E HN 0.633 nan 8.360 nan 0.000 0.421 57 E N 2.898 123.083 120.200 -0.025 0.000 2.225 57 E HA 0.082 4.431 4.350 -0.001 0.000 0.202 57 E C -0.659 175.935 176.600 -0.010 0.000 0.987 57 E CA 0.646 57.034 56.400 -0.020 0.000 1.010 57 E CB 0.347 30.033 29.700 -0.022 0.000 1.464 57 E HN 0.216 nan 8.360 nan 0.000 0.508 58 D N -0.244 120.154 120.400 -0.004 0.000 2.629 58 D HA 0.491 5.131 4.640 -0.001 0.000 0.250 58 D C -1.388 174.915 176.300 0.005 0.000 1.126 58 D CA -0.290 53.711 54.000 0.001 0.000 0.852 58 D CB 1.525 42.327 40.800 0.003 0.000 1.335 58 D HN 0.101 nan 8.370 nan 0.000 0.518 59 K N 1.597 122.000 120.400 0.005 0.000 2.370 59 K HA 0.483 4.802 4.320 -0.001 0.000 0.315 59 K C 0.115 176.718 176.600 0.006 0.000 1.589 59 K CA -0.229 56.062 56.287 0.006 0.000 0.963 59 K CB 0.892 33.396 32.500 0.006 0.000 1.424 59 K HN 0.653 nan 8.250 nan 0.000 0.467 60 G N 2.076 110.880 108.800 0.007 0.000 2.650 60 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.264 60 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.264 60 G C -1.020 173.886 174.900 0.010 0.000 1.263 60 G CA -0.001 45.104 45.100 0.008 0.000 0.960 60 G HN 0.351 nan 8.290 nan 0.000 0.548 61 K N 1.823 122.230 120.400 0.012 0.000 2.324 61 K HA 0.682 5.002 4.320 -0.001 0.000 0.253 61 K C 0.341 176.947 176.600 0.010 0.000 0.932 61 K CA 0.435 56.732 56.287 0.016 0.000 0.799 61 K CB 1.223 33.739 32.500 0.027 0.000 1.154 61 K HN 1.407 nan 8.250 nan 0.000 0.425 62 G N 0.280 109.082 108.800 0.004 0.000 3.100 62 G HA2 0.484 4.443 3.960 -0.001 0.000 0.174 62 G HA3 0.484 4.443 3.960 -0.001 0.000 0.174 62 G C 0.158 175.047 174.900 -0.018 0.000 1.136 62 G CA 0.119 45.211 45.100 -0.012 0.000 0.881 62 G HN 0.967 nan 8.290 nan 0.000 0.616 63 G N -0.986 107.797 108.800 -0.028 0.000 2.164 63 G HA2 0.076 4.036 3.960 -0.001 0.000 0.212 63 G HA3 0.076 4.036 3.960 -0.001 0.000 0.212 63 G C 0.141 175.009 174.900 -0.054 0.000 1.031 63 G CA 0.356 45.439 45.100 -0.029 0.000 0.730 63 G HN 1.437 nan 8.290 nan 0.000 0.501 64 L N 0.895 122.077 121.223 -0.068 0.000 2.410 64 L HA 0.622 4.962 4.340 -0.001 0.000 0.273 64 L C 0.227 177.065 176.870 -0.054 0.000 1.144 64 L CA -0.235 54.550 54.840 -0.093 0.000 0.863 64 L CB 1.315 43.327 42.059 -0.080 0.000 1.140 64 L HN 0.516 nan 8.230 nan 0.000 0.463 65 V N 5.198 125.083 119.914 -0.049 0.000 2.498 65 V HA 0.390 4.510 4.120 -0.001 0.000 0.283 65 V C -0.622 175.497 176.094 0.041 0.000 1.015 65 V CA -0.622 61.680 62.300 0.002 0.000 0.867 65 V CB 0.980 32.805 31.823 0.002 0.000 1.025 65 V HN 0.694 nan 8.190 nan 0.000 0.441 66 L N 3.574 124.857 121.223 0.101 0.000 2.296 66 L HA 0.865 5.205 4.340 -0.001 0.000 0.286 66 L C -0.707 176.414 176.870 0.417 0.000 1.023 66 L CA 0.653 55.624 54.840 0.219 0.000 0.812 66 L CB 1.256 43.423 42.059 0.180 0.000 1.223 66 L HN 0.642 nan 8.230 nan 0.000 0.421 67 D N 3.291 123.860 120.400 0.281 0.000 2.601 67 D HA 0.282 4.921 4.640 -0.001 0.000 0.230 67 D C -1.317 174.570 176.300 -0.688 0.000 1.106 67 D CA -0.118 53.864 54.000 -0.031 0.000 0.873 67 D CB 2.121 42.894 40.800 -0.045 0.000 1.515 67 D HN 0.313 nan 8.370 nan 0.000 0.468 68 F N 1.771 120.854 119.950 -1.445 0.000 2.410 68 F HA 0.299 4.826 4.527 -0.001 0.000 0.348 68 F C 0.160 175.574 175.800 -0.643 0.000 1.106 68 F CA -0.196 56.891 58.000 -1.522 0.000 1.163 68 F CB 0.546 38.652 39.000 -1.490 0.000 1.129 68 F HN 0.261 nan 8.300 nan 0.000 0.516 69 L N 2.765 123.084 121.223 -1.507 0.000 2.471 69 L HA 0.368 4.707 4.340 -0.001 0.000 0.186 69 L C -0.300 175.691 176.870 -1.465 0.000 1.191 69 L CA 0.011 54.197 54.840 -1.090 0.000 0.835 69 L CB -0.136 41.562 42.059 -0.602 0.000 1.092 69 L HN 0.480 nan 8.230 nan 0.000 0.495 70 E N -0.330 119.105 120.200 -1.276 0.000 2.304 70 E HA 0.276 4.626 4.350 -0.001 0.000 0.277 70 E C -1.783 174.783 176.600 -0.056 0.000 0.898 70 E CA -0.572 55.506 56.400 -0.537 0.000 0.764 70 E CB 1.790 31.332 29.700 -0.264 0.000 1.216 70 E HN 0.157 nan 8.360 nan 0.000 0.419 71 Y N 0.608 121.118 120.300 0.351 0.000 2.350 71 Y HA 0.617 5.166 4.550 -0.001 0.000 0.340 71 Y C -0.208 175.845 175.900 0.253 0.000 1.006 71 Y CA -1.094 57.265 58.100 0.431 0.000 1.166 71 Y CB 0.617 39.397 38.460 0.533 0.000 1.168 71 Y HN 0.427 nan 8.280 nan 0.000 0.502 72 R N 4.510 125.163 120.500 0.256 0.000 2.533 72 R HA 0.718 5.057 4.340 -0.001 0.000 0.288 72 R C -2.205 174.231 176.300 0.227 0.000 1.039 72 R CA -1.044 55.139 56.100 0.139 0.000 0.909 72 R CB 1.343 31.698 30.300 0.093 0.000 1.195 72 R HN 0.792 nan 8.270 nan 0.000 0.438 73 L N -0.491 120.808 121.223 0.127 0.000 2.410 73 L HA 1.001 5.340 4.340 -0.001 0.000 0.270 73 L C 0.231 177.147 176.870 0.077 0.000 0.983 73 L CA -0.174 54.697 54.840 0.052 0.000 0.822 73 L CB 2.526 44.600 42.059 0.027 0.000 1.285 73 L HN 0.829 nan 8.230 nan 0.000 0.409 74 G N 1.277 110.139 108.800 0.103 0.000 3.079 74 G HA2 0.089 4.049 3.960 -0.001 0.000 0.157 74 G HA3 0.089 4.049 3.960 -0.001 0.000 0.157 74 G C -0.213 174.756 174.900 0.114 0.000 1.447 74 G CA -0.177 44.987 45.100 0.106 0.000 0.753 74 G HN 0.510 nan 8.290 nan 0.000 0.989 75 E N 2.190 122.475 120.200 0.142 0.000 2.121 75 E HA 0.470 4.819 4.350 -0.001 0.000 0.255 75 E C -2.493 174.165 176.600 0.096 0.000 0.906 75 E CA -1.880 54.590 56.400 0.116 0.000 0.745 75 E CB 1.857 31.628 29.700 0.120 0.000 1.155 75 E HN 0.084 nan 8.360 nan 0.000 0.424 76 P HA -0.064 nan 4.420 nan 0.000 0.263 76 P C -2.033 175.260 177.300 -0.013 0.000 1.175 76 P CA -0.765 62.411 63.100 0.127 0.000 0.761 76 P CB 0.422 32.286 31.700 0.274 0.000 0.794 77 P HA -0.107 nan 4.420 nan 0.000 0.213 77 P C -0.217 176.624 177.300 -0.766 0.000 1.170 77 P CA 1.588 64.409 63.100 -0.465 0.000 0.898 77 P CB 0.054 31.566 31.700 -0.312 0.000 0.787 78 F N -2.661 117.266 119.950 -0.039 0.000 2.691 78 F HA 0.572 5.098 4.527 -0.001 0.000 0.334 78 F C -2.377 173.304 175.800 -0.200 0.000 1.107 78 F CA -2.367 55.582 58.000 -0.085 0.000 0.991 78 F CB 0.042 38.994 39.000 -0.080 0.000 1.400 78 F HN -0.265 nan 8.300 nan 0.000 0.503 79 P HA 0.263 nan 4.420 nan 0.000 0.287 79 P C -0.430 176.662 177.300 -0.347 0.000 1.290 79 P CA -0.470 62.472 63.100 -0.263 0.000 0.889 79 P CB 1.776 33.406 31.700 -0.118 0.000 1.190 80 Q N 0.627 120.122 119.800 -0.508 0.000 1.954 80 Q HA -0.242 4.098 4.340 -0.001 0.000 0.215 80 Q C 1.332 177.275 176.000 -0.096 0.000 1.026 80 Q CA 2.463 58.089 55.803 -0.295 0.000 0.881 80 Q CB -1.040 27.637 28.738 -0.100 0.000 0.977 80 Q HN 0.536 nan 8.270 nan 0.000 0.416 81 D N 0.168 120.542 120.400 -0.044 0.000 2.218 81 D HA -0.112 4.528 4.640 -0.001 0.000 0.204 81 D C 1.763 178.046 176.300 -0.028 0.000 0.976 81 D CA 0.615 54.611 54.000 -0.006 0.000 0.853 81 D CB -0.129 40.681 40.800 0.018 0.000 0.939 81 D HN 0.195 nan 8.370 nan 0.000 0.481 82 E N -0.424 119.748 120.200 -0.047 0.000 2.268 82 E HA -0.077 4.273 4.350 -0.001 0.000 0.195 82 E C 1.662 178.214 176.600 -0.080 0.000 0.995 82 E CA 0.257 56.629 56.400 -0.047 0.000 0.836 82 E CB -0.075 29.619 29.700 -0.011 0.000 0.763 82 E HN 0.311 nan 8.360 nan 0.000 0.491 83 C N -0.013 119.242 119.300 -0.075 0.000 2.514 83 C HA 0.102 4.561 4.460 -0.001 0.000 0.271 83 C C 2.369 177.341 174.990 -0.029 0.000 1.399 83 C CA 0.006 58.987 59.018 -0.062 0.000 1.765 83 C CB -0.551 27.177 27.740 -0.019 0.000 1.893 83 C HN 0.352 nan 8.230 nan 0.000 0.531 84 R N 0.320 120.814 120.500 -0.010 0.000 2.123 84 R HA 0.043 4.382 4.340 -0.001 0.000 0.209 84 R C 1.958 178.263 176.300 0.009 0.000 1.078 84 R CA 0.477 56.587 56.100 0.016 0.000 1.028 84 R CB -0.269 30.059 30.300 0.048 0.000 0.939 84 R HN 0.298 nan 8.270 nan 0.000 0.463 85 E N 1.808 122.008 120.200 -0.001 0.000 2.031 85 E HA -0.066 4.283 4.350 -0.001 0.000 0.193 85 E C -0.181 176.406 176.600 -0.022 0.000 0.994 85 E CA 1.469 57.874 56.400 0.008 0.000 0.800 85 E CB 0.142 29.840 29.700 -0.004 0.000 0.752 85 E HN 0.018 nan 8.360 nan 0.000 0.447 86 K N 1.006 121.371 120.400 -0.058 0.000 2.143 86 K HA 0.163 4.482 4.320 -0.001 0.000 0.272 86 K C -0.746 175.798 176.600 -0.094 0.000 1.001 86 K CA -0.335 55.897 56.287 -0.092 0.000 0.915 86 K CB 1.102 33.512 32.500 -0.149 0.000 1.047 86 K HN -0.030 nan 8.250 nan 0.000 0.458 87 D N 3.065 123.411 120.400 -0.089 0.000 2.489 87 D HA -0.003 4.637 4.640 -0.001 0.000 0.237 87 D C -0.712 175.530 176.300 -0.097 0.000 1.212 87 D CA 0.288 54.241 54.000 -0.078 0.000 1.058 87 D CB 0.225 40.984 40.800 -0.068 0.000 1.098 87 D HN 0.042 nan 8.370 nan 0.000 0.509 88 L N 1.500 122.667 121.223 -0.094 0.000 2.301 88 L HA 0.409 4.748 4.340 -0.001 0.000 0.264 88 L C -0.325 176.534 176.870 -0.019 0.000 1.016 88 L CA -0.563 54.215 54.840 -0.103 0.000 0.821 88 L CB 2.144 44.087 42.059 -0.192 0.000 1.346 88 L HN -0.037 nan 8.230 nan 0.000 0.429 89 T N 2.399 116.959 114.554 0.009 0.000 2.821 89 T HA 0.230 4.580 4.350 -0.001 0.000 0.307 89 T C -1.032 173.758 174.700 0.151 0.000 1.034 89 T CA -0.275 61.864 62.100 0.064 0.000 0.953 89 T CB -0.345 68.538 68.868 0.025 0.000 0.968 89 T HN 0.355 nan 8.240 nan 0.000 0.462 90 Y N 6.025 126.347 120.300 0.037 0.000 2.697 90 Y HA 0.306 4.856 4.550 -0.001 0.000 0.349 90 Y C -0.016 175.915 175.900 0.052 0.000 1.120 90 Y CA -0.610 57.529 58.100 0.064 0.000 1.468 90 Y CB -0.422 38.085 38.460 0.079 0.000 1.182 90 Y HN 0.655 nan 8.280 nan 0.000 0.525 91 Q N 4.285 124.239 119.800 0.257 0.000 2.345 91 Q HA 0.778 5.117 4.340 -0.001 0.000 0.275 91 Q C -1.122 174.953 176.000 0.125 0.000 1.063 91 Q CA -1.086 54.763 55.803 0.077 0.000 0.819 91 Q CB 1.889 30.662 28.738 0.059 0.000 1.356 91 Q HN 0.703 nan 8.270 nan 0.000 0.418 92 A N 2.348 125.217 122.820 0.081 0.000 2.316 92 A HA 0.732 5.052 4.320 -0.001 0.000 0.284 92 A C -2.375 175.303 177.584 0.157 0.000 1.115 92 A CA -1.480 50.620 52.037 0.106 0.000 0.812 92 A CB -0.006 19.026 19.000 0.055 0.000 1.064 92 A HN 0.414 nan 8.150 nan 0.000 0.489 93 P HA 0.505 nan 4.420 nan 0.000 0.290 93 P C -1.264 175.839 177.300 -0.329 0.000 1.276 93 P CA -0.287 62.843 63.100 0.050 0.000 0.808 93 P CB 0.908 32.673 31.700 0.109 0.000 0.966 94 L N 2.200 123.207 121.223 -0.360 0.000 2.385 94 L HA 0.774 5.114 4.340 -0.001 0.000 0.273 94 L C -1.399 175.360 176.870 -0.185 0.000 0.990 94 L CA -0.954 53.724 54.840 -0.269 0.000 0.821 94 L CB 1.477 43.556 42.059 0.033 0.000 1.279 94 L HN 0.239 nan 8.230 nan 0.000 0.412 95 Y N 1.216 121.664 120.300 0.247 0.000 2.317 95 Y HA 0.891 5.441 4.550 -0.001 0.000 0.325 95 Y C -0.174 175.861 175.900 0.225 0.000 1.066 95 Y CA -1.879 56.358 58.100 0.228 0.000 1.203 95 Y CB 0.401 38.935 38.460 0.125 0.000 1.127 95 Y HN 0.925 nan 8.280 nan 0.000 0.451 96 A N 3.659 126.764 122.820 0.476 0.000 2.293 96 A HA 0.732 5.051 4.320 -0.001 0.000 0.302 96 A C 0.190 177.876 177.584 0.169 0.000 1.119 96 A CA -1.095 51.148 52.037 0.344 0.000 0.823 96 A CB 0.667 19.922 19.000 0.425 0.000 1.097 96 A HN 0.795 nan 8.150 nan 0.000 0.491 97 R N -0.235 120.244 120.500 -0.034 0.000 2.543 97 R HA 0.413 4.753 4.340 -0.001 0.000 0.277 97 R C -1.335 174.894 176.300 -0.118 0.000 1.074 97 R CA -0.017 56.021 56.100 -0.103 0.000 1.076 97 R CB 0.159 30.335 30.300 -0.206 0.000 0.993 97 R HN 0.491 nan 8.270 nan 0.000 0.459 98 L N 1.394 122.615 121.223 -0.004 0.000 2.434 98 L HA 0.392 4.732 4.340 -0.001 0.000 0.260 98 L C -0.827 176.076 176.870 0.055 0.000 0.983 98 L CA -0.870 54.028 54.840 0.096 0.000 0.820 98 L CB 1.802 44.079 42.059 0.363 0.000 1.361 98 L HN 0.604 nan 8.230 nan 0.000 0.410 99 Q N 1.661 121.499 119.800 0.062 0.000 2.268 99 Q HA 0.720 5.059 4.340 -0.001 0.000 0.266 99 Q C -1.518 174.527 176.000 0.076 0.000 1.006 99 Q CA -0.889 54.940 55.803 0.043 0.000 0.824 99 Q CB 2.866 31.596 28.738 -0.013 0.000 1.306 99 Q HN 0.513 nan 8.270 nan 0.000 0.424 100 L N 3.732 124.998 121.223 0.070 0.000 2.289 100 L HA 0.504 4.844 4.340 -0.001 0.000 0.285 100 L C -1.075 175.816 176.870 0.035 0.000 1.049 100 L CA -0.634 54.236 54.840 0.049 0.000 0.804 100 L CB 0.957 43.035 42.059 0.033 0.000 1.195 100 L HN 0.688 nan 8.230 nan 0.000 0.428 101 I N 4.323 124.891 120.570 -0.003 0.000 2.577 101 I HA 0.379 4.549 4.170 -0.001 0.000 0.300 101 I C 0.243 176.318 176.117 -0.070 0.000 0.990 101 I CA -0.378 60.925 61.300 0.007 0.000 1.283 101 I CB 0.990 38.993 38.000 0.005 0.000 1.411 101 I HN 0.603 nan 8.210 nan 0.000 0.515 102 H N 2.703 121.779 119.070 0.010 0.000 2.797 102 H HA 0.295 4.851 4.556 -0.001 0.000 0.372 102 H C 0.101 175.432 175.328 0.004 0.000 1.168 102 H CA -0.564 55.489 56.048 0.007 0.000 1.163 102 H CB 2.693 32.458 29.762 0.006 0.000 1.778 102 H HN 0.476 nan 8.280 nan 0.000 0.551 103 K N 0.368 120.856 120.400 0.146 0.000 2.432 103 K HA -0.010 4.309 4.320 -0.001 0.000 0.196 103 K C -0.411 176.237 176.600 0.080 0.000 1.038 103 K CA 0.561 56.898 56.287 0.083 0.000 0.986 103 K CB 0.397 32.932 32.500 0.059 0.000 0.782 103 K HN 0.491 nan 8.250 nan 0.000 0.485 104 D N 0.400 120.864 120.400 0.107 0.000 2.228 104 D HA 0.001 4.641 4.640 -0.001 0.000 0.247 104 D C -0.362 175.954 176.300 0.026 0.000 0.995 104 D CA -0.456 53.568 54.000 0.041 0.000 0.903 104 D CB 1.314 42.113 40.800 -0.001 0.000 1.205 104 D HN 0.021 nan 8.370 nan 0.000 0.459 105 T N -1.310 113.245 114.554 0.002 0.000 2.642 105 T HA 0.384 4.733 4.350 -0.001 0.000 0.258 105 T C 0.516 175.205 174.700 -0.018 0.000 1.022 105 T CA -0.169 61.929 62.100 -0.002 0.000 1.266 105 T CB -0.685 68.177 68.868 -0.010 0.000 0.987 105 T HN 0.730 nan 8.240 nan 0.000 0.518 106 G N 3.127 111.932 108.800 0.009 0.000 2.146 106 G HA2 0.417 4.377 3.960 -0.001 0.000 0.261 106 G HA3 0.417 4.377 3.960 -0.001 0.000 0.261 106 G C -1.227 173.719 174.900 0.077 0.000 1.745 106 G CA -1.181 43.922 45.100 0.004 0.000 0.905 106 G HN 0.940 nan 8.290 nan 0.000 0.746 107 L N 2.276 123.536 121.223 0.062 0.000 2.492 107 L HA 0.516 4.856 4.340 -0.001 0.000 0.258 107 L C -0.359 176.545 176.870 0.057 0.000 1.028 107 L CA -0.715 54.171 54.840 0.076 0.000 0.900 107 L CB 1.264 43.348 42.059 0.041 0.000 1.191 107 L HN 0.386 nan 8.230 nan 0.000 0.459 108 I N 1.979 122.599 120.570 0.083 0.000 2.371 108 I HA 0.273 4.443 4.170 -0.001 0.000 0.290 108 I C 0.408 176.550 176.117 0.041 0.000 1.028 108 I CA 0.012 61.344 61.300 0.053 0.000 1.345 108 I CB 0.797 38.835 38.000 0.063 0.000 1.407 108 I HN 0.471 nan 8.210 nan 0.000 0.501 109 K N 5.988 126.398 120.400 0.018 0.000 2.389 109 K HA 0.242 4.561 4.320 -0.001 0.000 0.261 109 K C -0.697 175.904 176.600 0.001 0.000 1.014 109 K CA -0.451 55.840 56.287 0.006 0.000 0.920 109 K CB 0.834 33.323 32.500 -0.018 0.000 1.149 109 K HN 0.505 nan 8.250 nan 0.000 0.444 110 E N 4.094 124.303 120.200 0.016 0.000 2.028 110 E HA 0.032 4.382 4.350 -0.001 0.000 0.266 110 E C -0.246 176.355 176.600 0.002 0.000 0.962 110 E CA -0.104 56.300 56.400 0.006 0.000 0.784 110 E CB 0.948 30.660 29.700 0.020 0.000 1.114 110 E HN 0.609 nan 8.360 nan 0.000 0.414 111 D N 1.942 122.324 120.400 -0.030 0.000 2.269 111 D HA -0.203 4.437 4.640 -0.001 0.000 0.191 111 D C 0.096 176.375 176.300 -0.036 0.000 1.007 111 D CA 1.699 55.668 54.000 -0.051 0.000 0.855 111 D CB 0.325 41.075 40.800 -0.083 0.000 0.979 111 D HN 0.357 nan 8.370 nan 0.000 0.452 112 E N -0.812 119.344 120.200 -0.074 0.000 2.221 112 E HA 0.568 4.918 4.350 -0.001 0.000 0.268 112 E C -0.866 175.721 176.600 -0.022 0.000 0.933 112 E CA -0.813 55.548 56.400 -0.064 0.000 0.809 112 E CB 2.451 31.984 29.700 -0.278 0.000 1.190 112 E HN -0.187 nan 8.360 nan 0.000 0.406 113 V N 3.482 123.462 119.914 0.111 0.000 2.637 113 V HA 0.143 4.263 4.120 -0.001 0.000 0.274 113 V C -1.031 175.276 176.094 0.355 0.000 1.004 113 V CA -0.932 61.471 62.300 0.171 0.000 0.894 113 V CB 0.366 32.300 31.823 0.184 0.000 1.046 113 V HN 0.495 nan 8.190 nan 0.000 0.467 114 F N 5.059 125.161 119.950 0.253 0.000 2.509 114 F HA 0.691 5.218 4.527 -0.001 0.000 0.350 114 F C -0.250 175.541 175.800 -0.015 0.000 1.220 114 F CA -2.243 55.849 58.000 0.153 0.000 1.151 114 F CB -0.559 38.552 39.000 0.184 0.000 1.379 114 F HN 0.360 nan 8.300 nan 0.000 0.610 115 L N 1.266 122.609 121.223 0.199 0.000 2.296 115 L HA 1.012 5.351 4.340 -0.001 0.000 0.286 115 L C 0.225 177.061 176.870 -0.057 0.000 1.023 115 L CA -0.814 54.058 54.840 0.052 0.000 0.812 115 L CB 1.445 43.558 42.059 0.091 0.000 1.223 115 L HN 0.937 nan 8.230 nan 0.000 0.421 116 G N 1.668 110.381 108.800 -0.146 0.000 3.445 116 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.680 116 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.680 116 G C -0.872 173.898 174.900 -0.216 0.000 0.972 116 G CA -0.693 44.335 45.100 -0.120 0.000 0.798 116 G HN 0.941 nan 8.290 nan 0.000 0.461 117 H N 1.744 120.809 119.070 -0.008 0.000 2.661 117 H HA 0.435 4.991 4.556 -0.001 0.000 0.290 117 H C 0.919 176.226 175.328 -0.036 0.000 1.082 117 H CA -0.101 55.934 56.048 -0.021 0.000 1.234 117 H CB 0.736 30.484 29.762 -0.023 0.000 1.387 117 H HN 0.782 nan 8.280 nan 0.000 0.476 118 I N 1.714 122.326 120.570 0.071 0.000 2.428 118 I HA 0.442 4.611 4.170 -0.001 0.000 0.296 118 I C -2.674 173.398 176.117 -0.075 0.000 0.985 118 I CA -2.696 58.590 61.300 -0.023 0.000 1.260 118 I CB 0.936 38.960 38.000 0.041 0.000 1.389 118 I HN 0.128 nan 8.210 nan 0.000 0.484 119 P HA 0.219 nan 4.420 nan 0.000 0.269 119 P C -0.664 176.645 177.300 0.016 0.000 1.215 119 P CA -0.207 62.757 63.100 -0.227 0.000 0.780 119 P CB 0.645 31.997 31.700 -0.580 0.000 0.898 120 L N 1.456 122.612 121.223 -0.112 0.000 2.335 120 L HA 0.594 4.933 4.340 -0.001 0.000 0.268 120 L C 0.129 176.917 176.870 -0.137 0.000 1.016 120 L CA -1.288 53.496 54.840 -0.092 0.000 0.805 120 L CB 1.505 43.295 42.059 -0.448 0.000 1.311 120 L HN 0.321 nan 8.230 nan 0.000 0.456 121 M N 0.172 119.676 119.600 -0.159 0.000 2.404 121 M HA 0.336 4.816 4.480 -0.001 0.000 0.338 121 M C -0.544 175.607 176.300 -0.250 0.000 1.150 121 M CA -0.429 54.619 55.300 -0.421 0.000 1.016 121 M CB 1.841 34.183 32.600 -0.431 0.000 1.672 121 M HN 0.533 nan 8.290 nan 0.000 0.448 122 T N 2.469 116.879 114.554 -0.240 0.000 2.860 122 T HA 0.081 4.430 4.350 -0.001 0.000 0.299 122 T C 1.153 175.805 174.700 -0.080 0.000 1.045 122 T CA -0.560 61.495 62.100 -0.077 0.000 1.071 122 T CB 0.713 69.566 68.868 -0.024 0.000 0.985 122 T HN 0.635 nan 8.240 nan 0.000 0.537 123 E N 1.484 121.668 120.200 -0.026 0.000 2.171 123 E HA -0.204 4.146 4.350 -0.001 0.000 0.197 123 E C 1.672 178.245 176.600 -0.045 0.000 0.997 123 E CA 1.753 58.136 56.400 -0.029 0.000 0.810 123 E CB -0.131 29.562 29.700 -0.013 0.000 0.738 123 E HN 0.760 nan 8.360 nan 0.000 0.467 124 D N -1.203 119.167 120.400 -0.049 0.000 2.194 124 D HA -0.033 4.607 4.640 -0.001 0.000 0.204 124 D C 1.493 177.751 176.300 -0.071 0.000 0.964 124 D CA 1.312 55.283 54.000 -0.048 0.000 0.846 124 D CB -0.080 40.699 40.800 -0.035 0.000 0.962 124 D HN 0.242 nan 8.370 nan 0.000 0.490 125 G N -0.740 107.987 108.800 -0.122 0.000 2.551 125 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.186 125 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.186 125 G C 0.360 175.093 174.900 -0.280 0.000 1.002 125 G CA 0.129 45.122 45.100 -0.177 0.000 0.723 125 G HN 0.711 nan 8.290 nan 0.000 0.481 126 S N 0.089 115.675 115.700 -0.190 0.000 2.693 126 S HA 0.878 5.347 4.470 -0.001 0.000 0.276 126 S C -0.050 174.403 174.600 -0.244 0.000 1.192 126 S CA -0.624 57.508 58.200 -0.113 0.000 0.994 126 S CB 1.568 64.806 63.200 0.064 0.000 1.012 126 S HN 0.318 nan 8.310 nan 0.000 0.550 127 F N -0.654 119.318 119.950 0.037 0.000 2.629 127 F HA 0.654 5.181 4.527 -0.001 0.000 0.386 127 F C 0.151 176.005 175.800 0.090 0.000 1.135 127 F CA -1.462 56.563 58.000 0.043 0.000 1.116 127 F CB 0.852 39.891 39.000 0.065 0.000 1.426 127 F HN 0.411 nan 8.300 nan 0.000 0.501 128 I N 1.599 122.377 120.570 0.346 0.000 2.649 128 I HA 0.153 4.323 4.170 -0.001 0.000 0.275 128 I C -0.425 175.805 176.117 0.189 0.000 1.153 128 I CA -0.133 61.316 61.300 0.248 0.000 1.069 128 I CB 0.979 39.144 38.000 0.275 0.000 1.227 128 I HN 0.458 nan 8.210 nan 0.000 0.505 129 I N 3.469 124.120 120.570 0.134 0.000 2.244 129 I HA -0.001 4.169 4.170 -0.001 0.000 0.231 129 I C 0.862 177.000 176.117 0.036 0.000 1.065 129 I CA 1.181 62.524 61.300 0.071 0.000 1.358 129 I CB -0.082 37.945 38.000 0.045 0.000 1.130 129 I HN 0.446 nan 8.210 nan 0.000 0.411 130 N N 0.338 119.037 118.700 -0.002 0.000 2.617 130 N HA 0.372 5.112 4.740 -0.001 0.000 0.263 130 N C 0.570 176.052 175.510 -0.048 0.000 1.074 130 N CA 0.667 53.701 53.050 -0.026 0.000 0.841 130 N CB 1.691 40.152 38.487 -0.044 0.000 1.221 130 N HN 0.520 nan 8.380 nan 0.000 0.529 131 G N 1.719 110.507 108.800 -0.021 0.000 2.507 131 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.240 131 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.240 131 G C 0.179 175.083 174.900 0.007 0.000 1.119 131 G CA 0.506 45.596 45.100 -0.018 0.000 0.664 131 G HN 0.853 nan 8.290 nan 0.000 0.516 132 A N 0.541 123.337 122.820 -0.040 0.000 2.342 132 A HA 0.641 4.960 4.320 -0.001 0.000 0.323 132 A C -0.476 177.166 177.584 0.098 0.000 1.125 132 A CA 0.000 52.036 52.037 -0.001 0.000 0.785 132 A CB 0.876 19.631 19.000 -0.409 0.000 1.221 132 A HN 0.283 nan 8.150 nan 0.000 0.463 133 D N 1.632 122.173 120.400 0.236 0.000 2.455 133 D HA 0.319 4.958 4.640 -0.001 0.000 0.241 133 D C 0.338 176.813 176.300 0.292 0.000 1.138 133 D CA 0.816 54.966 54.000 0.250 0.000 0.877 133 D CB 0.477 41.412 40.800 0.226 0.000 1.187 133 D HN 0.455 nan 8.370 nan 0.000 0.451 134 R N 0.706 121.373 120.500 0.280 0.000 2.912 134 R HA 0.766 5.105 4.340 -0.001 0.000 0.262 134 R C -1.158 175.341 176.300 0.331 0.000 1.057 134 R CA -1.134 55.117 56.100 0.251 0.000 0.981 134 R CB 2.035 32.394 30.300 0.097 0.000 1.201 134 R HN 0.196 nan 8.270 nan 0.000 0.484 135 V N 2.247 122.301 119.914 0.232 0.000 2.789 135 V HA 0.413 4.533 4.120 -0.001 0.000 0.311 135 V C -0.548 175.531 176.094 -0.025 0.000 1.073 135 V CA -0.851 61.580 62.300 0.218 0.000 0.921 135 V CB 2.351 34.288 31.823 0.189 0.000 1.009 135 V HN 0.543 nan 8.190 nan 0.000 0.426 136 I N 4.966 125.527 120.570 -0.014 0.000 2.307 136 I HA 0.254 4.423 4.170 -0.001 0.000 0.287 136 I C 0.252 176.306 176.117 -0.105 0.000 1.054 136 I CA -0.193 60.989 61.300 -0.195 0.000 1.218 136 I CB 1.375 39.236 38.000 -0.231 0.000 1.398 136 I HN 0.528 nan 8.210 nan 0.000 0.475 137 V N 4.121 123.946 119.914 -0.147 0.000 2.686 137 V HA 0.433 4.553 4.120 -0.001 0.000 0.295 137 V C 0.783 176.835 176.094 -0.071 0.000 1.055 137 V CA -0.436 61.791 62.300 -0.121 0.000 1.050 137 V CB 0.942 32.675 31.823 -0.151 0.000 0.984 137 V HN 0.707 nan 8.190 nan 0.000 0.482 138 S N 3.509 119.176 115.700 -0.055 0.000 2.596 138 S HA 0.405 4.875 4.470 -0.001 0.000 0.260 138 S C -0.192 174.386 174.600 -0.036 0.000 1.336 138 S CA -0.356 57.823 58.200 -0.035 0.000 0.993 138 S CB 0.868 64.046 63.200 -0.037 0.000 0.923 138 S HN 0.969 nan 8.310 nan 0.000 0.567 139 Q N -0.477 119.309 119.800 -0.024 0.000 2.615 139 Q HA 0.709 5.048 4.340 -0.001 0.000 0.298 139 Q C -1.693 174.320 176.000 0.022 0.000 1.023 139 Q CA -0.864 54.930 55.803 -0.014 0.000 0.768 139 Q CB 1.542 30.263 28.738 -0.028 0.000 1.500 139 Q HN 0.712 nan 8.270 nan 0.000 0.441 140 I N -1.346 119.254 120.570 0.049 0.000 2.689 140 I HA 0.716 4.885 4.170 -0.001 0.000 0.299 140 I C -0.998 175.235 176.117 0.193 0.000 1.059 140 I CA -0.354 61.001 61.300 0.092 0.000 1.055 140 I CB 2.000 40.004 38.000 0.006 0.000 1.243 140 I HN 0.795 nan 8.210 nan 0.000 0.425 141 H N 1.178 120.211 119.070 -0.063 0.000 2.948 141 H HA 0.583 5.138 4.556 -0.001 0.000 0.315 141 H C -1.055 174.245 175.328 -0.046 0.000 1.360 141 H CA -1.386 54.638 56.048 -0.040 0.000 1.125 141 H CB 0.943 30.688 29.762 -0.028 0.000 1.844 141 H HN 0.571 nan 8.280 nan 0.000 0.529 142 R N 1.586 122.085 120.500 -0.001 0.000 2.446 142 R HA 0.088 4.428 4.340 -0.001 0.000 0.325 142 R C -0.178 176.002 176.300 -0.202 0.000 0.997 142 R CA 0.264 56.296 56.100 -0.112 0.000 1.010 142 R CB 0.335 30.596 30.300 -0.065 0.000 0.946 142 R HN 0.699 nan 8.270 nan 0.000 0.422 143 S N 4.803 120.355 115.700 -0.246 0.000 2.670 143 S HA 0.048 4.518 4.470 -0.001 0.000 0.308 143 S C -2.140 172.455 174.600 -0.009 0.000 1.232 143 S CA -1.293 56.753 58.200 -0.256 0.000 1.126 143 S CB 0.369 63.543 63.200 -0.043 0.000 0.897 143 S HN 0.389 nan 8.310 nan 0.000 0.508 144 P HA 0.023 nan 4.420 nan 0.000 0.214 144 P C 0.626 177.907 177.300 -0.032 0.000 0.970 144 P CA 1.119 64.234 63.100 0.026 0.000 1.047 144 P CB -0.635 31.130 31.700 0.110 0.000 1.015 145 G N 1.185 109.955 108.800 -0.050 0.000 2.976 145 G HA2 0.590 4.550 3.960 -0.001 0.000 0.276 145 G HA3 0.590 4.550 3.960 -0.001 0.000 0.276 145 G C -1.545 172.954 174.900 -0.667 0.000 1.207 145 G CA -0.427 44.471 45.100 -0.336 0.000 0.803 145 G HN 0.186 nan 8.290 nan 0.000 0.572 146 V N 0.685 119.913 119.914 -1.143 0.000 2.569 146 V HA 0.612 4.731 4.120 -0.001 0.000 0.301 146 V C -1.595 173.679 176.094 -1.367 0.000 1.044 146 V CA -0.548 61.148 62.300 -1.007 0.000 0.874 146 V CB 0.999 32.434 31.823 -0.647 0.000 1.002 146 V HN 0.602 nan 8.190 nan 0.000 0.424 147 Y N 3.853 123.821 120.300 -0.554 0.000 2.545 147 Y HA 0.746 5.295 4.550 -0.001 0.000 0.348 147 Y C -0.691 174.838 175.900 -0.618 0.000 1.002 147 Y CA -1.304 56.480 58.100 -0.526 0.000 1.039 147 Y CB 1.776 40.124 38.460 -0.187 0.000 1.271 147 Y HN 0.506 nan 8.280 nan 0.000 0.467 148 F N 0.595 120.642 119.950 0.162 0.000 2.347 148 F HA 0.572 5.099 4.527 -0.001 0.000 0.366 148 F C 0.236 176.095 175.800 0.098 0.000 1.107 148 F CA -0.775 57.293 58.000 0.114 0.000 1.058 148 F CB 1.566 40.598 39.000 0.054 0.000 1.236 148 F HN 0.319 nan 8.300 nan 0.000 0.456 149 T N 3.623 118.340 114.554 0.272 0.000 2.885 149 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 149 T C -2.677 172.212 174.700 0.315 0.000 1.019 149 T CA -2.331 59.914 62.100 0.241 0.000 1.010 149 T CB 1.520 70.498 68.868 0.183 0.000 1.022 149 T HN 0.145 nan 8.240 nan 0.000 0.466 150 P HA 0.038 nan 4.420 nan 0.000 0.266 150 P C -0.499 176.927 177.300 0.210 0.000 1.193 150 P CA -0.067 63.251 63.100 0.362 0.000 0.770 150 P CB 0.370 32.240 31.700 0.284 0.000 0.836 151 D N 3.532 124.016 120.400 0.141 0.000 2.424 151 D HA 0.020 4.659 4.640 -0.001 0.000 0.244 151 D C -1.279 175.062 176.300 0.069 0.000 1.134 151 D CA -1.340 52.717 54.000 0.095 0.000 0.881 151 D CB 0.499 41.327 40.800 0.048 0.000 1.191 151 D HN 0.175 nan 8.370 nan 0.000 0.445 152 P HA -0.206 nan 4.420 nan 0.000 0.212 152 P C 0.630 177.950 177.300 0.033 0.000 0.886 152 P CA 1.913 65.043 63.100 0.051 0.000 1.017 152 P CB 0.108 31.837 31.700 0.047 0.000 0.686 153 A N -0.977 121.857 122.820 0.023 0.000 1.843 153 A HA -0.053 4.266 4.320 -0.001 0.000 0.213 153 A C 1.418 179.004 177.584 0.004 0.000 1.202 153 A CA 0.402 52.447 52.037 0.012 0.000 0.607 153 A CB -1.027 17.978 19.000 0.009 0.000 0.847 153 A HN 0.106 nan 8.150 nan 0.000 0.445 154 R N 0.898 121.398 120.500 0.001 0.000 2.488 154 R HA 0.051 4.390 4.340 -0.001 0.000 0.317 154 R C -2.004 174.280 176.300 -0.028 0.000 0.941 154 R CA -0.670 55.422 56.100 -0.013 0.000 1.076 154 R CB 0.285 30.578 30.300 -0.012 0.000 0.917 154 R HN 0.183 nan 8.270 nan 0.000 0.407 155 P HA -0.055 nan 4.420 nan 0.000 0.225 155 P C 0.790 178.031 177.300 -0.098 0.000 1.148 155 P CA 0.995 64.064 63.100 -0.051 0.000 0.779 155 P CB 0.197 31.874 31.700 -0.038 0.000 0.780 156 G N 0.336 109.080 108.800 -0.094 0.000 2.509 156 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.180 156 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.180 156 G C 0.440 175.193 174.900 -0.246 0.000 1.446 156 G CA 0.556 45.579 45.100 -0.128 0.000 0.888 156 G HN 0.169 nan 8.290 nan 0.000 0.536 157 R N -1.504 118.861 120.500 -0.225 0.000 2.782 157 R HA 0.557 4.897 4.340 -0.001 0.000 0.258 157 R C -0.815 175.339 176.300 -0.243 0.000 1.055 157 R CA -0.527 55.364 56.100 -0.349 0.000 1.065 157 R CB 0.763 30.996 30.300 -0.113 0.000 1.172 157 R HN 0.538 nan 8.270 nan 0.000 0.510 158 Y N 0.450 120.803 120.300 0.089 0.000 2.432 158 Y HA 0.568 5.117 4.550 -0.001 0.000 0.322 158 Y C 0.653 176.645 175.900 0.153 0.000 1.246 158 Y CA -1.439 56.735 58.100 0.123 0.000 1.268 158 Y CB 0.257 38.805 38.460 0.148 0.000 1.276 158 Y HN 0.395 nan 8.280 nan 0.000 0.499 159 I N -0.613 120.171 120.570 0.356 0.000 2.740 159 I HA 0.981 5.151 4.170 -0.001 0.000 0.303 159 I C -0.604 175.690 176.117 0.295 0.000 1.044 159 I CA -1.495 59.976 61.300 0.285 0.000 1.064 159 I CB 2.103 40.229 38.000 0.209 0.000 1.249 159 I HN 0.676 nan 8.210 nan 0.000 0.433 160 A N 3.084 126.061 122.820 0.262 0.000 2.282 160 A HA 0.856 5.176 4.320 -0.001 0.000 0.319 160 A C -0.263 177.366 177.584 0.076 0.000 1.121 160 A CA -0.466 51.665 52.037 0.156 0.000 0.836 160 A CB 0.906 20.026 19.000 0.200 0.000 1.146 160 A HN 0.895 nan 8.150 nan 0.000 0.494 161 S N 0.415 116.079 115.700 -0.061 0.000 2.614 161 S HA 0.605 5.075 4.470 -0.001 0.000 0.275 161 S C -0.917 173.578 174.600 -0.174 0.000 1.161 161 S CA -0.352 57.837 58.200 -0.017 0.000 0.969 161 S CB 0.837 64.093 63.200 0.093 0.000 1.059 161 S HN 0.528 nan 8.310 nan 0.000 0.482 162 I N 3.349 123.816 120.570 -0.171 0.000 2.328 162 I HA 0.373 4.543 4.170 -0.001 0.000 0.287 162 I C -0.762 175.136 176.117 -0.364 0.000 1.012 162 I CA -0.776 60.381 61.300 -0.239 0.000 1.195 162 I CB 1.186 39.105 38.000 -0.135 0.000 1.350 162 I HN 0.679 nan 8.210 nan 0.000 0.464 163 I N 9.750 130.089 120.570 -0.385 0.000 2.328 163 I HA 0.547 4.717 4.170 -0.001 0.000 0.287 163 I C -2.778 173.189 176.117 -0.250 0.000 1.012 163 I CA -2.245 58.733 61.300 -0.536 0.000 1.195 163 I CB 1.188 38.880 38.000 -0.513 0.000 1.350 163 I HN 0.214 nan 8.210 nan 0.000 0.464 164 P HA 0.426 nan 4.420 nan 0.000 0.301 164 P C -1.504 175.820 177.300 0.041 0.000 1.420 164 P CA -0.504 62.593 63.100 -0.005 0.000 1.006 164 P CB 1.588 33.294 31.700 0.010 0.000 0.982 165 L N 6.332 127.611 121.223 0.095 0.000 2.331 165 L HA 0.717 5.056 4.340 -0.001 0.000 0.275 165 L C -2.408 174.514 176.870 0.087 0.000 1.022 165 L CA -2.637 52.261 54.840 0.098 0.000 0.812 165 L CB 0.797 42.924 42.059 0.115 0.000 1.257 165 L HN 0.215 nan 8.230 nan 0.000 0.435 166 P HA -0.045 nan 4.420 nan 0.000 0.271 166 P C 0.085 177.420 177.300 0.058 0.000 1.197 166 P CA 0.242 63.355 63.100 0.021 0.000 0.777 166 P CB 0.425 32.120 31.700 -0.008 0.000 0.827 167 K N 0.934 121.371 120.400 0.061 0.000 2.001 167 K HA -0.154 4.166 4.320 -0.001 0.000 0.214 167 K C 0.602 177.262 176.600 0.100 0.000 1.050 167 K CA 1.455 57.801 56.287 0.098 0.000 0.934 167 K CB -0.180 32.361 32.500 0.068 0.000 0.718 167 K HN 0.418 nan 8.250 nan 0.000 0.443 168 R N 0.648 121.184 120.500 0.061 0.000 2.458 168 R HA 0.109 4.449 4.340 -0.001 0.000 0.303 168 R C -0.044 176.298 176.300 0.070 0.000 1.013 168 R CA 0.529 56.666 56.100 0.063 0.000 1.026 168 R CB 0.380 30.698 30.300 0.030 0.000 0.948 168 R HN 0.486 nan 8.270 nan 0.000 0.417 169 G N 4.543 113.412 108.800 0.115 0.000 2.897 169 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.392 169 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.392 169 G C -2.681 172.321 174.900 0.168 0.000 1.263 169 G CA -1.303 43.871 45.100 0.123 0.000 1.185 169 G HN 0.340 nan 8.290 nan 0.000 0.573 170 P HA 0.005 nan 4.420 nan 0.000 0.275 170 P C -0.225 177.221 177.300 0.243 0.000 1.212 170 P CA 0.348 63.557 63.100 0.181 0.000 0.793 170 P CB 0.414 32.190 31.700 0.126 0.000 0.820 171 W N 3.228 124.549 121.300 0.034 0.000 2.604 171 W HA 0.366 5.025 4.660 -0.001 0.000 0.302 171 W C -1.787 174.760 176.519 0.047 0.000 1.013 171 W CA -0.533 56.838 57.345 0.044 0.000 1.338 171 W CB 0.258 29.744 29.460 0.042 0.000 1.233 171 W HN 0.120 nan 8.180 nan 0.000 0.390 172 I N 4.332 125.052 120.570 0.251 0.000 2.677 172 I HA 0.287 4.457 4.170 -0.001 0.000 0.305 172 I C -0.078 176.187 176.117 0.246 0.000 0.988 172 I CA 0.349 61.791 61.300 0.236 0.000 1.260 172 I CB 1.380 39.492 38.000 0.187 0.000 1.410 172 I HN 0.345 nan 8.210 nan 0.000 0.523 173 D N 3.545 124.083 120.400 0.230 0.000 2.977 173 D HA 0.545 5.184 4.640 -0.001 0.000 0.220 173 D C -1.472 174.938 176.300 0.183 0.000 1.267 173 D CA -0.532 53.591 54.000 0.206 0.000 0.884 173 D CB 0.887 41.822 40.800 0.223 0.000 1.667 173 D HN 0.165 nan 8.370 nan 0.000 0.536 174 L N 1.471 122.800 121.223 0.177 0.000 2.295 174 L HA 0.503 4.843 4.340 -0.001 0.000 0.281 174 L C -0.286 176.691 176.870 0.179 0.000 1.018 174 L CA -0.431 54.515 54.840 0.177 0.000 0.841 174 L CB 1.481 43.659 42.059 0.198 0.000 1.218 174 L HN 0.549 nan 8.230 nan 0.000 0.424 175 E N 2.935 123.222 120.200 0.144 0.000 2.234 175 E HA 0.647 4.997 4.350 -0.001 0.000 0.266 175 E C -1.319 175.336 176.600 0.092 0.000 0.877 175 E CA -0.893 55.582 56.400 0.124 0.000 0.758 175 E CB 2.107 31.872 29.700 0.108 0.000 1.170 175 E HN 0.340 nan 8.360 nan 0.000 0.415 176 V N 1.580 121.540 119.914 0.077 0.000 2.384 176 V HA 0.583 4.702 4.120 -0.001 0.000 0.287 176 V C -0.505 175.599 176.094 0.015 0.000 1.020 176 V CA -0.750 61.572 62.300 0.037 0.000 0.850 176 V CB 1.408 33.237 31.823 0.010 0.000 0.987 176 V HN 0.704 nan 8.190 nan 0.000 0.436 177 E N 5.284 125.488 120.200 0.008 0.000 2.916 177 E HA 0.454 4.804 4.350 -0.001 0.000 0.217 177 E C -1.964 174.629 176.600 -0.011 0.000 1.100 177 E CA -2.033 54.367 56.400 0.000 0.000 0.891 177 E CB 1.587 31.293 29.700 0.010 0.000 1.311 177 E HN 0.545 nan 8.360 nan 0.000 0.421 178 P HA -0.313 nan 4.420 nan 0.000 0.224 178 P C 0.940 178.224 177.300 -0.027 0.000 1.154 178 P CA 1.020 64.099 63.100 -0.036 0.000 0.868 178 P CB 0.229 31.903 31.700 -0.044 0.000 0.782 179 N N -1.591 117.098 118.700 -0.018 0.000 2.417 179 N HA -0.109 4.630 4.740 -0.001 0.000 0.187 179 N C 1.351 176.853 175.510 -0.013 0.000 1.027 179 N CA 1.828 54.870 53.050 -0.015 0.000 0.891 179 N CB -0.221 38.261 38.487 -0.009 0.000 0.956 179 N HN 0.293 nan 8.380 nan 0.000 0.442 180 G N -1.542 107.251 108.800 -0.012 0.000 4.681 180 G HA2 0.104 4.063 3.960 -0.001 0.000 0.220 180 G HA3 0.104 4.063 3.960 -0.001 0.000 0.220 180 G C -0.717 174.182 174.900 -0.003 0.000 0.713 180 G CA -0.319 44.776 45.100 -0.008 0.000 1.021 180 G HN 0.079 nan 8.290 nan 0.000 0.751 181 V N 0.378 120.289 119.914 -0.004 0.000 3.012 181 V HA 0.743 4.863 4.120 -0.001 0.000 0.307 181 V C -0.465 175.629 176.094 -0.000 0.000 1.166 181 V CA -0.818 61.483 62.300 0.002 0.000 0.974 181 V CB 2.350 34.179 31.823 0.012 0.000 1.040 181 V HN 0.137 nan 8.190 nan 0.000 0.428 182 V N 1.958 121.871 119.914 -0.002 0.000 2.815 182 V HA 0.835 4.955 4.120 -0.001 0.000 0.314 182 V C -0.121 175.978 176.094 0.009 0.000 1.064 182 V CA -0.500 61.805 62.300 0.007 0.000 0.952 182 V CB 2.164 33.991 31.823 0.008 0.000 1.020 182 V HN 1.010 nan 8.190 nan 0.000 0.439 183 S N 3.941 119.664 115.700 0.038 0.000 2.707 183 S HA 0.747 5.217 4.470 -0.001 0.000 0.303 183 S C -1.044 173.611 174.600 0.090 0.000 1.132 183 S CA -0.610 57.625 58.200 0.058 0.000 1.046 183 S CB 1.285 64.528 63.200 0.072 0.000 1.004 183 S HN 0.751 nan 8.310 nan 0.000 0.483 184 M N 4.468 124.134 119.600 0.110 0.000 2.078 184 M HA 0.529 5.008 4.480 -0.001 0.000 0.320 184 M C -1.407 175.094 176.300 0.336 0.000 0.969 184 M CA -0.083 55.342 55.300 0.209 0.000 0.929 184 M CB 1.080 33.774 32.600 0.156 0.000 1.504 184 M HN 0.661 nan 8.290 nan 0.000 0.419 185 K N 4.275 124.814 120.400 0.231 0.000 2.358 185 K HA 0.481 4.801 4.320 -0.001 0.000 0.260 185 K C 0.413 177.091 176.600 0.130 0.000 0.956 185 K CA -0.751 55.632 56.287 0.161 0.000 0.834 185 K CB 1.861 34.430 32.500 0.115 0.000 1.102 185 K HN 0.615 nan 8.250 nan 0.000 0.431 186 V N 0.254 120.183 119.914 0.025 0.000 2.365 186 V HA -0.078 4.042 4.120 -0.001 0.000 0.232 186 V C 1.620 177.718 176.094 0.008 0.000 1.065 186 V CA 0.838 63.135 62.300 -0.004 0.000 1.054 186 V CB -0.500 31.211 31.823 -0.186 0.000 0.685 186 V HN 0.798 nan 8.190 nan 0.000 0.480 187 N N -0.521 118.142 118.700 -0.061 0.000 2.336 187 N HA 0.020 4.760 4.740 -0.001 0.000 0.177 187 N C 1.414 176.898 175.510 -0.043 0.000 1.018 187 N CA 1.627 54.652 53.050 -0.041 0.000 0.878 187 N CB 0.688 39.138 38.487 -0.062 0.000 0.997 187 N HN 0.618 nan 8.380 nan 0.000 0.433 188 K N -1.180 119.195 120.400 -0.041 0.000 3.061 188 K HA 0.161 4.481 4.320 -0.001 0.000 0.274 188 K C -0.469 176.128 176.600 -0.005 0.000 2.613 188 K CA -0.537 55.734 56.287 -0.026 0.000 1.510 188 K CB 0.559 33.038 32.500 -0.036 0.000 2.856 188 K HN -0.214 nan 8.250 nan 0.000 0.406 189 R N 3.510 124.001 120.500 -0.015 0.000 2.502 189 R HA 0.019 4.358 4.340 -0.001 0.000 0.292 189 R C -0.818 175.513 176.300 0.052 0.000 0.998 189 R CA 0.636 56.742 56.100 0.010 0.000 1.056 189 R CB 0.252 30.549 30.300 -0.006 0.000 0.939 189 R HN 0.091 nan 8.270 nan 0.000 0.411 190 K N 4.187 124.645 120.400 0.096 0.000 2.355 190 K HA 0.174 4.494 4.320 -0.001 0.000 0.270 190 K C -0.230 176.524 176.600 0.256 0.000 1.003 190 K CA 0.081 56.474 56.287 0.177 0.000 0.957 190 K CB 0.337 32.905 32.500 0.113 0.000 0.939 190 K HN 0.409 nan 8.250 nan 0.000 0.482 191 F N -1.183 118.748 119.950 -0.031 0.000 2.650 191 F HA 0.548 5.074 4.527 -0.001 0.000 0.320 191 F C -3.082 172.696 175.800 -0.038 0.000 1.091 191 F CA -3.801 54.170 58.000 -0.048 0.000 0.962 191 F CB 0.164 39.114 39.000 -0.083 0.000 1.363 191 F HN 0.252 nan 8.300 nan 0.000 0.482 192 P HA 0.143 nan 4.420 nan 0.000 0.262 192 P C 0.524 177.322 177.300 -0.836 0.000 1.199 192 P CA 0.162 63.039 63.100 -0.371 0.000 0.763 192 P CB 0.494 32.108 31.700 -0.142 0.000 0.790 193 L N 4.102 124.941 121.223 -0.641 0.000 2.353 193 L HA -0.142 4.198 4.340 -0.001 0.000 0.220 193 L C 2.075 178.670 176.870 -0.459 0.000 1.133 193 L CA 1.470 55.905 54.840 -0.675 0.000 0.798 193 L CB -0.622 41.249 42.059 -0.314 0.000 0.922 193 L HN 0.242 nan 8.230 nan 0.000 0.445 194 V N -0.918 118.819 119.914 -0.294 0.000 2.535 194 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 194 V C 2.288 178.321 176.094 -0.102 0.000 1.045 194 V CA 1.011 63.225 62.300 -0.144 0.000 1.058 194 V CB -0.411 31.379 31.823 -0.054 0.000 0.689 194 V HN 0.434 nan 8.190 nan 0.000 0.461 195 L N -0.163 120.991 121.223 -0.114 0.000 2.129 195 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 195 L C 2.060 178.943 176.870 0.020 0.000 1.087 195 L CA 2.005 56.840 54.840 -0.009 0.000 0.757 195 L CB -0.547 41.524 42.059 0.021 0.000 0.896 195 L HN 0.238 nan 8.230 nan 0.000 0.434 196 L N -1.579 119.626 121.223 -0.030 0.000 2.127 196 L HA -0.055 4.284 4.340 -0.001 0.000 0.203 196 L C 2.466 179.311 176.870 -0.042 0.000 1.080 196 L CA 0.813 55.642 54.840 -0.018 0.000 0.768 196 L CB -0.105 41.913 42.059 -0.068 0.000 0.924 196 L HN 0.326 nan 8.230 nan 0.000 0.444 197 L N -0.499 120.678 121.223 -0.075 0.000 2.079 197 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 197 L C 2.820 179.805 176.870 0.192 0.000 1.081 197 L CA 1.126 56.003 54.840 0.061 0.000 0.752 197 L CB -0.542 41.483 42.059 -0.057 0.000 0.896 197 L HN 0.287 nan 8.230 nan 0.000 0.433 198 R N -0.604 119.965 120.500 0.114 0.000 2.120 198 R HA -0.124 4.216 4.340 -0.001 0.000 0.234 198 R C 2.188 178.565 176.300 0.128 0.000 1.123 198 R CA 1.084 57.258 56.100 0.123 0.000 0.975 198 R CB -0.681 29.676 30.300 0.095 0.000 0.866 198 R HN 0.252 nan 8.270 nan 0.000 0.446 199 V N 1.567 121.554 119.914 0.121 0.000 2.343 199 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 199 V C 2.288 178.497 176.094 0.192 0.000 1.051 199 V CA 1.607 63.989 62.300 0.137 0.000 1.036 199 V CB -0.286 31.598 31.823 0.101 0.000 0.654 199 V HN 0.202 nan 8.190 nan 0.000 0.451 200 L N -0.417 120.938 121.223 0.220 0.000 2.313 200 L HA 0.196 4.536 4.340 -0.001 0.000 0.214 200 L C 1.756 178.725 176.870 0.164 0.000 1.119 200 L CA 1.442 56.444 54.840 0.270 0.000 0.809 200 L CB -0.103 42.170 42.059 0.356 0.000 0.933 200 L HN 0.524 nan 8.230 nan 0.000 0.449 201 G N -2.844 106.033 108.800 0.128 0.000 2.613 201 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.199 201 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.199 201 G C -0.226 174.646 174.900 -0.045 0.000 0.991 201 G CA -0.748 44.356 45.100 0.007 0.000 0.756 201 G HN 0.071 nan 8.290 nan 0.000 0.515 202 Y N 3.257 123.587 120.300 0.050 0.000 2.531 202 Y HA 0.424 4.973 4.550 -0.001 0.000 0.347 202 Y C 0.456 176.371 175.900 0.025 0.000 1.024 202 Y CA -0.280 57.840 58.100 0.033 0.000 1.306 202 Y CB 0.339 38.813 38.460 0.023 0.000 1.149 202 Y HN 0.239 nan 8.280 nan 0.000 0.527 203 D N 1.261 121.742 120.400 0.135 0.000 2.283 203 D HA 0.090 4.730 4.640 -0.001 0.000 0.248 203 D C 0.766 177.122 176.300 0.093 0.000 1.072 203 D CA -0.627 53.429 54.000 0.094 0.000 0.929 203 D CB 0.849 41.682 40.800 0.055 0.000 1.182 203 D HN 0.446 nan 8.370 nan 0.000 0.433 204 Q N 1.202 121.042 119.800 0.067 0.000 2.029 204 Q HA -0.307 4.033 4.340 -0.001 0.000 0.209 204 Q C 1.812 177.841 176.000 0.048 0.000 0.999 204 Q CA 2.309 58.143 55.803 0.052 0.000 0.857 204 Q CB -0.431 28.329 28.738 0.036 0.000 0.926 204 Q HN 0.789 nan 8.270 nan 0.000 0.415 205 E N 0.423 120.647 120.200 0.040 0.000 2.012 205 E HA -0.190 4.160 4.350 -0.001 0.000 0.197 205 E C 2.088 178.712 176.600 0.041 0.000 1.007 205 E CA 1.921 58.341 56.400 0.033 0.000 0.816 205 E CB -0.830 28.886 29.700 0.026 0.000 0.762 205 E HN 0.198 nan 8.360 nan 0.000 0.451 206 T N -0.056 114.529 114.554 0.052 0.000 2.708 206 T HA -0.127 4.223 4.350 -0.001 0.000 0.266 206 T C 1.832 176.582 174.700 0.083 0.000 1.037 206 T CA 1.399 63.536 62.100 0.061 0.000 1.146 206 T CB -0.429 68.476 68.868 0.061 0.000 0.865 206 T HN 0.283 nan 8.240 nan 0.000 0.435 207 L N 0.432 121.723 121.223 0.113 0.000 1.990 207 L HA -0.137 4.203 4.340 -0.001 0.000 0.213 207 L C 2.861 179.756 176.870 0.042 0.000 1.072 207 L CA 1.987 56.893 54.840 0.109 0.000 0.755 207 L CB -0.720 41.404 42.059 0.108 0.000 0.889 207 L HN 0.405 nan 8.230 nan 0.000 0.432 208 A N -0.299 122.547 122.820 0.043 0.000 1.858 208 A HA -0.256 4.063 4.320 -0.001 0.000 0.216 208 A C 2.220 179.813 177.584 0.015 0.000 1.190 208 A CA 1.977 54.036 52.037 0.035 0.000 0.617 208 A CB -0.552 18.467 19.000 0.032 0.000 0.827 208 A HN 0.420 nan 8.150 nan 0.000 0.443 209 R N -0.778 119.732 120.500 0.017 0.000 2.189 209 R HA 0.017 4.357 4.340 -0.001 0.000 0.218 209 R C 2.056 178.362 176.300 0.010 0.000 1.074 209 R CA 1.337 57.443 56.100 0.010 0.000 0.991 209 R CB -0.112 30.198 30.300 0.017 0.000 0.883 209 R HN 0.763 nan 8.270 nan 0.000 0.457 210 E N -0.617 119.595 120.200 0.021 0.000 2.166 210 E HA -0.043 4.307 4.350 -0.001 0.000 0.192 210 E C 1.295 177.900 176.600 0.009 0.000 0.967 210 E CA 0.263 56.683 56.400 0.033 0.000 0.840 210 E CB 0.229 29.966 29.700 0.061 0.000 0.795 210 E HN 0.096 nan 8.360 nan 0.000 0.470 211 L N -0.755 120.442 121.223 -0.044 0.000 2.307 211 L HA 0.228 4.567 4.340 -0.001 0.000 0.211 211 L C 1.544 178.231 176.870 -0.306 0.000 1.099 211 L CA 1.675 56.432 54.840 -0.138 0.000 0.816 211 L CB 0.307 42.220 42.059 -0.244 0.000 0.952 211 L HN 0.074 nan 8.230 nan 0.000 0.455 212 G N -1.790 106.898 108.800 -0.187 0.000 3.575 212 G HA2 0.326 4.286 3.960 -0.001 0.000 0.273 212 G HA3 0.326 4.286 3.960 -0.001 0.000 0.273 212 G C 1.268 176.035 174.900 -0.221 0.000 1.053 212 G CA 0.365 45.310 45.100 -0.259 0.000 0.803 212 G HN 0.471 nan 8.290 nan 0.000 0.528 213 A N 0.879 123.615 122.820 -0.141 0.000 1.940 213 A HA -0.065 4.255 4.320 -0.001 0.000 0.219 213 A C 2.073 179.665 177.584 0.014 0.000 1.176 213 A CA 1.848 53.868 52.037 -0.028 0.000 0.631 213 A CB -0.537 18.485 19.000 0.037 0.000 0.814 213 A HN 0.752 nan 8.150 nan 0.000 0.446 214 Y N -1.366 118.956 120.300 0.036 0.000 2.365 214 Y HA 0.454 5.004 4.550 -0.001 0.000 0.293 214 Y C 1.115 177.026 175.900 0.018 0.000 1.119 214 Y CA -0.304 57.808 58.100 0.019 0.000 1.203 214 Y CB -0.956 37.509 38.460 0.009 0.000 1.026 214 Y HN 0.197 nan 8.280 nan 0.000 0.549 215 G N 0.256 108.910 108.800 -0.244 0.000 2.932 215 G HA2 0.430 4.390 3.960 -0.001 0.000 0.283 215 G HA3 0.430 4.390 3.960 -0.001 0.000 0.283 215 G C -0.082 174.728 174.900 -0.149 0.000 1.336 215 G CA -0.073 44.954 45.100 -0.122 0.000 1.056 215 G HN 0.223 nan 8.290 nan 0.000 0.522 216 E N -0.774 119.327 120.200 -0.164 0.000 2.485 216 E HA 0.013 4.363 4.350 -0.001 0.000 0.213 216 E C 1.942 178.398 176.600 -0.240 0.000 0.923 216 E CA 0.056 56.364 56.400 -0.154 0.000 1.054 216 E CB -0.250 29.388 29.700 -0.104 0.000 1.077 216 E HN 0.398 nan 8.360 nan 0.000 0.509 217 L N 1.225 122.186 121.223 -0.438 0.000 2.447 217 L HA -0.090 4.249 4.340 -0.001 0.000 0.225 217 L C 2.447 179.022 176.870 -0.492 0.000 1.148 217 L CA 0.561 55.032 54.840 -0.616 0.000 0.808 217 L CB -0.688 40.659 42.059 -1.186 0.000 0.928 217 L HN -0.075 nan 8.230 nan 0.000 0.448 218 V N -0.200 119.539 119.914 -0.293 0.000 2.453 218 V HA -0.344 3.775 4.120 -0.001 0.000 0.252 218 V C 2.553 178.639 176.094 -0.012 0.000 1.068 218 V CA 1.831 64.139 62.300 0.015 0.000 1.070 218 V CB -0.450 31.397 31.823 0.039 0.000 0.664 218 V HN 0.582 nan 8.190 nan 0.000 0.461 219 Q N -0.541 119.219 119.800 -0.066 0.000 2.226 219 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 219 Q C 2.277 178.256 176.000 -0.035 0.000 0.975 219 Q CA 1.356 57.132 55.803 -0.044 0.000 0.866 219 Q CB -0.366 28.339 28.738 -0.055 0.000 0.915 219 Q HN 0.741 nan 8.270 nan 0.000 0.440 220 G N 0.913 109.683 108.800 -0.049 0.000 2.484 220 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.218 220 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.218 220 G C 1.434 176.333 174.900 -0.001 0.000 1.130 220 G CA 0.612 45.694 45.100 -0.030 0.000 0.784 220 G HN 0.340 nan 8.290 nan 0.000 0.543 221 L N 0.244 121.482 121.223 0.025 0.000 2.068 221 L HA 0.211 4.550 4.340 -0.001 0.000 0.204 221 L C 2.519 179.402 176.870 0.022 0.000 1.076 221 L CA 2.085 56.948 54.840 0.039 0.000 0.753 221 L CB -0.667 41.449 42.059 0.094 0.000 0.910 221 L HN 0.291 nan 8.230 nan 0.000 0.439 222 M N -1.994 117.618 119.600 0.019 0.000 2.618 222 M HA 0.113 4.593 4.480 -0.001 0.000 0.240 222 M C 1.022 177.322 176.300 0.001 0.000 1.123 222 M CA 0.454 55.761 55.300 0.013 0.000 1.060 222 M CB -0.776 31.830 32.600 0.010 0.000 1.535 222 M HN 0.159 nan 8.290 nan 0.000 0.507 223 D N 2.593 122.993 120.400 0.000 0.000 2.240 223 D HA -0.146 4.493 4.640 -0.001 0.000 0.204 223 D C 0.660 176.950 176.300 -0.016 0.000 1.018 223 D CA 1.417 55.413 54.000 -0.007 0.000 0.887 223 D CB -0.281 40.520 40.800 0.001 0.000 1.087 223 D HN 0.472 nan 8.370 nan 0.000 0.464 224 E N 1.394 121.597 120.200 0.005 0.000 2.127 224 E HA 0.035 4.385 4.350 -0.001 0.000 0.295 224 E C 0.928 177.484 176.600 -0.073 0.000 1.155 224 E CA -0.022 56.361 56.400 -0.029 0.000 1.201 224 E CB 0.085 29.865 29.700 0.134 0.000 1.083 224 E HN 0.094 nan 8.360 nan 0.000 0.472 225 S N 0.711 116.353 115.700 -0.097 0.000 2.399 225 S HA -0.147 4.323 4.470 -0.001 0.000 0.231 225 S C 1.968 176.487 174.600 -0.135 0.000 1.022 225 S CA 0.717 58.869 58.200 -0.080 0.000 0.983 225 S CB 0.022 63.182 63.200 -0.066 0.000 0.803 225 S HN 0.472 nan 8.310 nan 0.000 0.480 226 V N 1.221 120.959 119.914 -0.293 0.000 2.282 226 V HA -0.226 3.893 4.120 -0.001 0.000 0.249 226 V C 1.544 177.449 176.094 -0.315 0.000 1.057 226 V CA 2.009 64.067 62.300 -0.402 0.000 1.032 226 V CB -0.536 30.864 31.823 -0.704 0.000 0.645 226 V HN 0.647 nan 8.190 nan 0.000 0.447 227 F N 0.205 120.164 119.950 0.015 0.000 2.664 227 F HA 0.316 4.843 4.527 -0.001 0.000 0.296 227 F C 2.263 178.076 175.800 0.023 0.000 1.125 227 F CA 0.602 58.615 58.000 0.021 0.000 1.444 227 F CB -0.454 38.559 39.000 0.022 0.000 1.114 227 F HN 0.240 nan 8.300 nan 0.000 0.576 228 A N -0.238 122.667 122.820 0.141 0.000 2.206 228 A HA 0.033 4.353 4.320 -0.001 0.000 0.211 228 A C 1.879 179.503 177.584 0.067 0.000 1.158 228 A CA 0.689 52.785 52.037 0.098 0.000 0.761 228 A CB -0.339 18.698 19.000 0.061 0.000 0.801 228 A HN 0.195 nan 8.150 nan 0.000 0.473 229 M N 0.525 120.157 119.600 0.053 0.000 2.428 229 M HA 0.119 4.599 4.480 -0.001 0.000 0.239 229 M C 0.172 176.504 176.300 0.053 0.000 1.121 229 M CA 0.446 55.770 55.300 0.039 0.000 1.019 229 M CB -0.285 32.323 32.600 0.014 0.000 1.485 229 M HN 0.422 nan 8.290 nan 0.000 0.484 230 R N -0.324 120.223 120.500 0.078 0.000 2.467 230 R HA 0.482 4.822 4.340 -0.001 0.000 0.299 230 R C -2.923 173.430 176.300 0.088 0.000 1.120 230 R CA -1.423 54.724 56.100 0.080 0.000 0.940 230 R CB 0.332 30.686 30.300 0.090 0.000 1.161 230 R HN -0.084 nan 8.270 nan 0.000 0.506 231 P HA -0.188 nan 4.420 nan 0.000 0.204 231 P C 1.069 178.424 177.300 0.091 0.000 1.012 231 P CA 0.633 63.781 63.100 0.081 0.000 0.835 231 P CB 0.122 31.862 31.700 0.066 0.000 0.603 232 E N -0.220 120.032 120.200 0.087 0.000 2.253 232 E HA -0.317 4.033 4.350 -0.001 0.000 0.202 232 E C 1.949 178.607 176.600 0.096 0.000 1.014 232 E CA 1.222 57.680 56.400 0.097 0.000 0.823 232 E CB -0.255 29.491 29.700 0.077 0.000 0.736 232 E HN 0.241 nan 8.360 nan 0.000 0.478 233 E N -0.008 120.243 120.200 0.084 0.000 2.152 233 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 233 E C 1.832 178.485 176.600 0.088 0.000 0.983 233 E CA 0.842 57.291 56.400 0.081 0.000 0.818 233 E CB -0.065 29.680 29.700 0.076 0.000 0.758 233 E HN 0.356 nan 8.360 nan 0.000 0.467 234 A N 1.050 123.927 122.820 0.094 0.000 2.019 234 A HA -0.125 4.195 4.320 -0.001 0.000 0.219 234 A C 2.246 179.883 177.584 0.087 0.000 1.164 234 A CA 0.789 52.878 52.037 0.086 0.000 0.644 234 A CB -0.497 18.559 19.000 0.095 0.000 0.805 234 A HN 0.281 nan 8.150 nan 0.000 0.449 235 L N -0.517 120.775 121.223 0.114 0.000 2.017 235 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 235 L C 2.363 179.358 176.870 0.209 0.000 1.073 235 L CA 1.539 56.467 54.840 0.147 0.000 0.745 235 L CB -0.413 41.757 42.059 0.185 0.000 0.894 235 L HN 0.439 nan 8.230 nan 0.000 0.432 236 I N -1.493 119.179 120.570 0.171 0.000 2.439 236 I HA -0.191 3.978 4.170 -0.001 0.000 0.251 236 I C 2.557 178.758 176.117 0.139 0.000 1.139 236 I CA 0.609 62.005 61.300 0.161 0.000 1.438 236 I CB -0.312 37.727 38.000 0.065 0.000 1.085 236 I HN 0.095 nan 8.210 nan 0.000 0.427 237 R N 1.108 121.657 120.500 0.081 0.000 2.092 237 R HA -0.021 4.319 4.340 -0.001 0.000 0.231 237 R C 2.200 178.501 176.300 0.002 0.000 1.119 237 R CA 1.203 57.312 56.100 0.014 0.000 0.970 237 R CB -0.545 29.733 30.300 -0.036 0.000 0.864 237 R HN 0.338 nan 8.270 nan 0.000 0.440 238 L N -1.077 120.161 121.223 0.025 0.000 2.131 238 L HA -0.053 4.286 4.340 -0.001 0.000 0.206 238 L C 1.581 178.446 176.870 -0.008 0.000 1.087 238 L CA 0.827 55.655 54.840 -0.020 0.000 0.767 238 L CB -0.202 41.828 42.059 -0.048 0.000 0.917 238 L HN 0.142 nan 8.230 nan 0.000 0.441 239 F N 0.470 120.387 119.950 -0.055 0.000 2.154 239 F HA -0.284 4.242 4.527 -0.001 0.000 0.301 239 F C 2.449 178.221 175.800 -0.047 0.000 1.087 239 F CA 2.073 60.044 58.000 -0.047 0.000 1.274 239 F CB -0.590 38.394 39.000 -0.026 0.000 1.009 239 F HN 0.072 nan 8.300 nan 0.000 0.485 240 T N 0.319 114.979 114.554 0.176 0.000 2.857 240 T HA -0.166 4.184 4.350 -0.001 0.000 0.266 240 T C 2.237 176.952 174.700 0.025 0.000 1.048 240 T CA 1.113 63.258 62.100 0.076 0.000 1.139 240 T CB -0.551 68.335 68.868 0.030 0.000 0.874 240 T HN 0.268 nan 8.240 nan 0.000 0.455 241 L N 0.555 121.773 121.223 -0.009 0.000 2.042 241 L HA 0.022 4.362 4.340 -0.001 0.000 0.210 241 L C 0.748 177.591 176.870 -0.045 0.000 1.076 241 L CA 0.991 55.806 54.840 -0.042 0.000 0.749 241 L CB -0.393 41.627 42.059 -0.064 0.000 0.893 241 L HN 0.223 nan 8.230 nan 0.000 0.432 242 L N 0.137 121.328 121.223 -0.052 0.000 2.472 242 L HA -0.031 4.309 4.340 -0.001 0.000 0.273 242 L C 0.287 177.152 176.870 -0.008 0.000 1.254 242 L CA 0.348 55.156 54.840 -0.054 0.000 0.823 242 L CB 0.017 42.040 42.059 -0.060 0.000 1.096 242 L HN 0.306 nan 8.230 nan 0.000 0.521 243 R N 0.346 120.842 120.500 -0.006 0.000 2.512 243 R HA 0.567 4.907 4.340 -0.001 0.000 0.291 243 R C -2.710 173.598 176.300 0.014 0.000 1.097 243 R CA -0.901 55.203 56.100 0.007 0.000 0.940 243 R CB 1.037 31.334 30.300 -0.004 0.000 1.198 243 R HN 0.424 nan 8.270 nan 0.000 0.429 244 P HA 0.301 nan 4.420 nan 0.000 0.535 244 P C -0.315 176.997 177.300 0.020 0.000 0.852 244 P CA 0.572 63.686 63.100 0.025 0.000 2.507 244 P CB 1.218 32.941 31.700 0.038 0.000 1.142 245 G N 1.023 109.837 108.800 0.024 0.000 2.919 245 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.225 245 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.225 245 G C -1.037 173.870 174.900 0.011 0.000 1.117 245 G CA -0.408 44.700 45.100 0.014 0.000 1.033 245 G HN 0.257 nan 8.290 nan 0.000 0.532 246 D N 0.268 120.679 120.400 0.017 0.000 2.332 246 D HA 0.567 5.207 4.640 -0.001 0.000 0.252 246 D C -1.903 174.365 176.300 -0.053 0.000 1.050 246 D CA -1.316 52.683 54.000 -0.002 0.000 0.970 246 D CB 1.044 41.867 40.800 0.039 0.000 1.141 246 D HN 0.102 nan 8.370 nan 0.000 0.485 247 P HA 0.125 nan 4.420 nan 0.000 0.267 247 P C -1.925 175.250 177.300 -0.209 0.000 1.209 247 P CA -0.743 62.285 63.100 -0.121 0.000 0.763 247 P CB 0.355 31.989 31.700 -0.110 0.000 0.816 248 P HA -0.158 nan 4.420 nan 0.000 0.216 248 P C -0.141 177.007 177.300 -0.254 0.000 1.150 248 P CA 1.432 64.426 63.100 -0.178 0.000 0.837 248 P CB -0.021 31.627 31.700 -0.086 0.000 0.786 249 K N 0.409 120.692 120.400 -0.195 0.000 2.285 249 K HA 0.463 4.782 4.320 -0.001 0.000 0.286 249 K C -0.391 176.076 176.600 -0.221 0.000 1.072 249 K CA -0.426 55.758 56.287 -0.172 0.000 0.913 249 K CB 0.964 33.408 32.500 -0.093 0.000 1.067 249 K HN -0.171 nan 8.250 nan 0.000 0.479 250 R N 3.177 123.524 120.500 -0.255 0.000 3.207 250 R HA 0.034 4.373 4.340 -0.001 0.000 0.238 250 R C -0.327 175.929 176.300 -0.073 0.000 1.724 250 R CA -0.297 55.678 56.100 -0.207 0.000 1.079 250 R CB 0.410 30.470 30.300 -0.399 0.000 1.503 250 R HN 0.814 nan 8.270 nan 0.000 0.471 251 D N 2.505 122.892 120.400 -0.022 0.000 2.708 251 D HA -0.255 4.385 4.640 -0.001 0.000 0.217 251 D C 0.409 176.750 176.300 0.068 0.000 1.094 251 D CA 2.080 56.092 54.000 0.020 0.000 0.941 251 D CB 0.392 41.198 40.800 0.010 0.000 1.220 251 D HN 0.507 nan 8.370 nan 0.000 0.495 252 K N -1.109 119.286 120.400 -0.008 0.000 3.054 252 K HA 0.598 4.918 4.320 -0.001 0.000 0.203 252 K C 0.613 176.936 176.600 -0.462 0.000 1.126 252 K CA -0.108 56.138 56.287 -0.069 0.000 1.023 252 K CB 1.200 33.596 32.500 -0.173 0.000 0.722 252 K HN 0.043 nan 8.250 nan 0.000 0.441 253 A N 1.066 123.839 122.820 -0.079 0.000 1.831 253 A HA 0.021 4.340 4.320 -0.001 0.000 0.213 253 A C 1.964 179.647 177.584 0.166 0.000 1.223 253 A CA 1.097 53.184 52.037 0.085 0.000 0.604 253 A CB -0.582 18.532 19.000 0.190 0.000 0.878 253 A HN 0.098 nan 8.150 nan 0.000 0.450 254 V N 0.245 120.300 119.914 0.236 0.000 2.515 254 V HA -0.151 3.969 4.120 -0.001 0.000 0.250 254 V C 2.922 178.999 176.094 -0.029 0.000 1.058 254 V CA 1.610 63.951 62.300 0.069 0.000 1.064 254 V CB -1.043 30.683 31.823 -0.160 0.000 0.675 254 V HN 0.600 nan 8.190 nan 0.000 0.461 255 A N -1.277 121.446 122.820 -0.161 0.000 2.125 255 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 255 A C 2.000 179.414 177.584 -0.282 0.000 1.156 255 A CA 1.353 53.139 52.037 -0.418 0.000 0.671 255 A CB -0.572 17.866 19.000 -0.937 0.000 0.794 255 A HN 0.550 nan 8.150 nan 0.000 0.459 256 Y N -0.062 120.238 120.300 0.001 0.000 2.184 256 Y HA -0.132 4.417 4.550 -0.001 0.000 0.290 256 Y C 2.652 178.529 175.900 -0.038 0.000 1.129 256 Y CA 0.899 59.080 58.100 0.135 0.000 1.144 256 Y CB -0.947 37.638 38.460 0.209 0.000 0.995 256 Y HN 0.120 nan 8.280 nan 0.000 0.513 257 V N -1.337 118.581 119.914 0.005 0.000 2.324 257 V HA -0.318 3.802 4.120 -0.001 0.000 0.250 257 V C 1.191 176.865 176.094 -0.700 0.000 1.060 257 V CA 1.870 63.925 62.300 -0.409 0.000 1.042 257 V CB -1.158 30.265 31.823 -0.667 0.000 0.650 257 V HN 0.383 nan 8.190 nan 0.000 0.450 258 Y N 0.521 120.808 120.300 -0.021 0.000 2.645 258 Y HA 0.539 5.088 4.550 -0.001 0.000 0.307 258 Y C 1.563 177.437 175.900 -0.044 0.000 1.151 258 Y CA 0.204 58.280 58.100 -0.039 0.000 1.291 258 Y CB -0.003 38.437 38.460 -0.034 0.000 1.135 258 Y HN 0.194 nan 8.280 nan 0.000 0.523 259 G N -0.472 108.330 108.800 0.003 0.000 2.508 259 G HA2 0.059 4.018 3.960 -0.001 0.000 0.217 259 G HA3 0.059 4.018 3.960 -0.001 0.000 0.217 259 G C 0.628 175.508 174.900 -0.033 0.000 2.004 259 G CA 0.117 45.244 45.100 0.044 0.000 0.750 259 G HN 0.154 nan 8.290 nan 0.000 0.730 260 L N 0.455 121.645 121.223 -0.055 0.000 2.388 260 L HA 0.478 4.817 4.340 -0.001 0.000 0.209 260 L C 2.233 179.013 176.870 -0.150 0.000 1.061 260 L CA 0.994 55.715 54.840 -0.198 0.000 0.834 260 L CB -0.405 41.323 42.059 -0.552 0.000 1.029 260 L HN 0.446 nan 8.230 nan 0.000 0.473 261 I N -1.466 119.055 120.570 -0.081 0.000 3.325 261 I HA 0.295 4.464 4.170 -0.001 0.000 0.237 261 I C 2.267 178.322 176.117 -0.102 0.000 1.068 261 I CA 0.655 61.917 61.300 -0.065 0.000 1.511 261 I CB -1.194 36.810 38.000 0.006 0.000 1.409 261 I HN 0.028 nan 8.210 nan 0.000 0.464 262 A N 1.717 124.471 122.820 -0.109 0.000 1.861 262 A HA -0.132 4.188 4.320 -0.001 0.000 0.214 262 A C 1.876 179.378 177.584 -0.137 0.000 1.322 262 A CA 2.015 53.981 52.037 -0.117 0.000 0.601 262 A CB -1.041 17.891 19.000 -0.112 0.000 0.966 262 A HN 0.439 nan 8.150 nan 0.000 0.471 263 D N 0.576 120.881 120.400 -0.159 0.000 2.160 263 D HA -0.061 4.578 4.640 -0.001 0.000 0.189 263 D C -1.155 175.084 176.300 -0.102 0.000 1.003 263 D CA 1.472 55.409 54.000 -0.105 0.000 0.846 263 D CB -2.056 38.679 40.800 -0.109 0.000 0.949 263 D HN 0.319 nan 8.370 nan 0.000 0.446 264 P HA 0.117 nan 4.420 nan 0.000 0.280 264 P C -0.054 177.064 177.300 -0.304 0.000 1.278 264 P CA -0.021 62.973 63.100 -0.177 0.000 0.787 264 P CB 0.583 32.186 31.700 -0.161 0.000 1.163 265 R N 0.144 120.293 120.500 -0.584 0.000 2.854 265 R HA 0.377 4.716 4.340 -0.001 0.000 0.271 265 R C 0.597 176.500 176.300 -0.662 0.000 0.994 265 R CA -0.787 54.915 56.100 -0.665 0.000 0.945 265 R CB 1.087 30.915 30.300 -0.786 0.000 1.194 265 R HN 0.239 nan 8.270 nan 0.000 0.476 266 R N 1.907 122.197 120.500 -0.350 0.000 2.363 266 R HA 0.064 4.404 4.340 -0.001 0.000 0.236 266 R C -0.507 175.757 176.300 -0.060 0.000 0.966 266 R CA -0.099 55.898 56.100 -0.172 0.000 1.100 266 R CB -0.269 29.978 30.300 -0.089 0.000 1.125 266 R HN 0.484 nan 8.270 nan 0.000 0.514 267 Y N -0.536 119.754 120.300 -0.016 0.000 2.717 267 Y HA 0.017 4.566 4.550 -0.001 0.000 0.330 267 Y C 0.114 176.009 175.900 -0.009 0.000 1.217 267 Y CA -1.291 56.802 58.100 -0.011 0.000 1.506 267 Y CB 0.188 38.646 38.460 -0.004 0.000 1.268 267 Y HN -0.095 nan 8.280 nan 0.000 0.561 268 D N 3.520 124.040 120.400 0.200 0.000 3.683 268 D HA -0.180 4.459 4.640 -0.001 0.000 0.201 268 D C -0.149 176.238 176.300 0.144 0.000 1.100 268 D CA 0.770 54.842 54.000 0.120 0.000 0.742 268 D CB 0.458 41.298 40.800 0.066 0.000 1.168 268 D HN 0.661 nan 8.370 nan 0.000 0.585 269 L N 3.264 124.551 121.223 0.108 0.000 2.654 269 L HA 0.253 4.592 4.340 -0.001 0.000 0.271 269 L C 1.274 178.187 176.870 0.072 0.000 1.169 269 L CA 1.503 56.400 54.840 0.095 0.000 0.947 269 L CB 0.175 42.266 42.059 0.054 0.000 1.232 269 L HN 0.644 nan 8.230 nan 0.000 0.486 270 G N 3.313 112.156 108.800 0.073 0.000 3.151 270 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.197 270 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.197 270 G C 0.780 175.705 174.900 0.042 0.000 1.682 270 G CA 0.143 45.273 45.100 0.049 0.000 1.205 270 G HN 0.484 nan 8.290 nan 0.000 0.510 271 E N 0.770 120.988 120.200 0.030 0.000 2.434 271 E HA 0.499 4.848 4.350 -0.001 0.000 0.207 271 E C 2.513 179.090 176.600 -0.039 0.000 0.929 271 E CA 1.108 57.523 56.400 0.026 0.000 1.001 271 E CB 0.392 30.104 29.700 0.020 0.000 1.016 271 E HN 0.594 nan 8.360 nan 0.000 0.502 272 A N 0.773 123.530 122.820 -0.106 0.000 1.837 272 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 272 A C 2.205 179.477 177.584 -0.521 0.000 1.210 272 A CA 2.499 54.350 52.037 -0.311 0.000 0.632 272 A CB -1.076 17.730 19.000 -0.324 0.000 0.843 272 A HN 0.306 nan 8.150 nan 0.000 0.448 273 G N -2.446 105.884 108.800 -0.783 0.000 2.608 273 G HA2 0.001 3.961 3.960 -0.001 0.000 0.210 273 G HA3 0.001 3.961 3.960 -0.001 0.000 0.210 273 G C 1.525 176.340 174.900 -0.141 0.000 1.139 273 G CA 0.539 45.297 45.100 -0.570 0.000 0.812 273 G HN 0.372 nan 8.290 nan 0.000 0.529 274 R N 0.052 120.522 120.500 -0.050 0.000 2.341 274 R HA -0.086 4.253 4.340 -0.001 0.000 0.213 274 R C 1.756 178.055 176.300 -0.003 0.000 1.082 274 R CA 0.751 56.844 56.100 -0.012 0.000 1.017 274 R CB -0.417 29.893 30.300 0.016 0.000 0.860 274 R HN 0.570 nan 8.270 nan 0.000 0.473 275 Y N 1.016 121.246 120.300 -0.117 0.000 2.184 275 Y HA -0.132 4.418 4.550 -0.001 0.000 0.290 275 Y C 1.439 177.263 175.900 -0.127 0.000 1.129 275 Y CA 1.566 59.603 58.100 -0.104 0.000 1.144 275 Y CB 0.008 38.420 38.460 -0.079 0.000 0.995 275 Y HN -0.131 nan 8.280 nan 0.000 0.513 276 K N 1.050 121.369 120.400 -0.136 0.000 2.442 276 K HA 0.072 4.392 4.320 -0.001 0.000 0.198 276 K C 1.723 178.131 176.600 -0.320 0.000 1.042 276 K CA 0.773 56.874 56.287 -0.310 0.000 0.958 276 K CB -0.292 32.113 32.500 -0.159 0.000 0.766 276 K HN 0.463 nan 8.250 nan 0.000 0.474 277 A N 1.112 123.794 122.820 -0.231 0.000 2.172 277 A HA -0.078 4.242 4.320 -0.001 0.000 0.215 277 A C 1.958 179.412 177.584 -0.218 0.000 1.610 277 A CA 0.763 52.676 52.037 -0.206 0.000 0.606 277 A CB -0.847 18.077 19.000 -0.127 0.000 1.182 277 A HN 0.256 nan 8.150 nan 0.000 0.499 278 E N -0.440 119.663 120.200 -0.161 0.000 2.149 278 E HA -0.381 3.968 4.350 -0.001 0.000 0.215 278 E C 1.960 178.452 176.600 -0.180 0.000 1.055 278 E CA 2.353 58.669 56.400 -0.139 0.000 0.870 278 E CB -0.141 29.501 29.700 -0.097 0.000 0.764 278 E HN 0.649 nan 8.360 nan 0.000 0.463 279 E N 0.603 120.660 120.200 -0.237 0.000 2.016 279 E HA -0.175 4.175 4.350 -0.001 0.000 0.190 279 E C 1.881 178.332 176.600 -0.247 0.000 0.985 279 E CA 1.927 58.181 56.400 -0.243 0.000 0.802 279 E CB -0.171 29.328 29.700 -0.335 0.000 0.762 279 E HN 0.046 nan 8.360 nan 0.000 0.448 280 K N 0.207 120.426 120.400 -0.302 0.000 2.031 280 K HA 0.205 4.525 4.320 -0.001 0.000 0.205 280 K C 0.513 176.846 176.600 -0.445 0.000 1.049 280 K CA 1.492 57.620 56.287 -0.265 0.000 0.939 280 K CB -0.179 32.155 32.500 -0.276 0.000 0.717 280 K HN 0.412 nan 8.250 nan 0.000 0.438 281 L N -5.001 115.926 121.223 -0.492 0.000 2.653 281 L HA 0.628 4.967 4.340 -0.001 0.000 0.257 281 L C -0.700 175.957 176.870 -0.356 0.000 0.969 281 L CA -0.740 53.656 54.840 -0.740 0.000 0.869 281 L CB 1.662 43.320 42.059 -0.669 0.000 1.439 281 L HN 0.288 nan 8.230 nan 0.000 0.414 282 G N 1.343 110.004 108.800 -0.232 0.000 2.880 282 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 282 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 282 G C -0.232 174.622 174.900 -0.076 0.000 1.505 282 G CA 0.223 45.272 45.100 -0.084 0.000 1.057 282 G HN 0.887 nan 8.290 nan 0.000 0.599 283 I N 1.083 121.636 120.570 -0.027 0.000 2.681 283 I HA 0.312 4.481 4.170 -0.001 0.000 0.247 283 I C 1.787 177.892 176.117 -0.020 0.000 1.091 283 I CA 1.009 62.295 61.300 -0.023 0.000 1.442 283 I CB -0.236 37.765 38.000 0.003 0.000 1.219 283 I HN 0.659 nan 8.210 nan 0.000 0.451 284 R N 1.480 121.979 120.500 -0.003 0.000 2.856 284 R HA 0.741 5.080 4.340 -0.001 0.000 0.258 284 R C -1.394 174.907 176.300 0.001 0.000 1.066 284 R CA -0.863 55.238 56.100 0.002 0.000 1.045 284 R CB 1.922 32.232 30.300 0.015 0.000 1.178 284 R HN 0.185 nan 8.270 nan 0.000 0.499 285 L N 0.157 121.382 121.223 0.004 0.000 2.491 285 L HA 0.486 4.825 4.340 -0.001 0.000 0.267 285 L C -1.587 175.288 176.870 0.009 0.000 0.971 285 L CA -0.463 54.379 54.840 0.004 0.000 0.857 285 L CB 2.325 44.387 42.059 0.005 0.000 1.226 285 L HN 0.420 nan 8.230 nan 0.000 0.408 286 S N 3.130 118.835 115.700 0.009 0.000 2.410 286 S HA 0.785 5.254 4.470 -0.001 0.000 0.304 286 S C 0.354 174.946 174.600 -0.015 0.000 1.095 286 S CA 0.129 58.332 58.200 0.005 0.000 1.089 286 S CB 1.016 64.224 63.200 0.014 0.000 0.968 286 S HN 1.318 nan 8.310 nan 0.000 0.480 287 G N 3.438 112.226 108.800 -0.020 0.000 2.981 287 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.686 287 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.686 287 G C 0.468 175.347 174.900 -0.035 0.000 1.068 287 G CA -0.618 44.454 45.100 -0.047 0.000 0.806 287 G HN 0.649 nan 8.290 nan 0.000 0.568 288 R N 0.444 120.929 120.500 -0.026 0.000 2.496 288 R HA -0.260 4.080 4.340 -0.001 0.000 0.197 288 R C 1.875 178.183 176.300 0.013 0.000 0.997 288 R CA 2.575 58.680 56.100 0.009 0.000 0.715 288 R CB -1.574 28.694 30.300 -0.054 0.000 0.845 288 R HN 0.975 nan 8.270 nan 0.000 0.387 289 T N 1.074 115.585 114.554 -0.071 0.000 2.897 289 T HA 0.421 4.770 4.350 -0.001 0.000 0.278 289 T C 0.621 175.269 174.700 -0.087 0.000 0.981 289 T CA -0.782 61.276 62.100 -0.070 0.000 0.973 289 T CB 0.564 69.348 68.868 -0.141 0.000 1.092 289 T HN 0.429 nan 8.240 nan 0.000 0.543 290 L N -0.097 121.057 121.223 -0.114 0.000 3.022 290 L HA 0.404 4.744 4.340 -0.001 0.000 0.303 290 L C 0.074 176.911 176.870 -0.054 0.000 1.081 290 L CA -0.481 54.295 54.840 -0.105 0.000 1.164 290 L CB -1.840 40.077 42.059 -0.236 0.000 1.559 290 L HN 0.713 nan 8.230 nan 0.000 0.422 291 A N 4.926 127.717 122.820 -0.048 0.000 2.435 291 A HA 0.960 5.279 4.320 -0.001 0.000 0.304 291 A C -0.234 177.301 177.584 -0.081 0.000 1.064 291 A CA -0.834 51.151 52.037 -0.086 0.000 0.727 291 A CB 1.925 20.814 19.000 -0.185 0.000 1.284 291 A HN 0.783 nan 8.150 nan 0.000 0.415 292 R N 1.070 121.508 120.500 -0.103 0.000 3.964 292 R HA 0.288 4.627 4.340 -0.001 0.000 0.244 292 R C -2.210 174.153 176.300 0.106 0.000 1.004 292 R CA -0.292 55.755 56.100 -0.087 0.000 1.148 292 R CB 0.487 30.821 30.300 0.056 0.000 1.234 292 R HN 1.266 nan 8.270 nan 0.000 0.567 293 F N 2.415 122.443 119.950 0.130 0.000 2.548 293 F HA 0.265 4.791 4.527 -0.001 0.000 0.379 293 F C 0.673 176.515 175.800 0.070 0.000 1.380 293 F CA -0.620 57.486 58.000 0.177 0.000 1.095 293 F CB -0.608 38.452 39.000 0.100 0.000 1.270 293 F HN 0.718 nan 8.300 nan 0.000 0.509 294 E N 0.060 120.434 120.200 0.290 0.000 2.099 294 E HA -0.035 4.315 4.350 -0.001 0.000 0.191 294 E C 0.626 177.267 176.600 0.068 0.000 0.962 294 E CA 1.019 57.520 56.400 0.169 0.000 0.826 294 E CB -0.053 29.720 29.700 0.122 0.000 0.788 294 E HN 0.158 nan 8.360 nan 0.000 0.461 295 D N -1.043 119.360 120.400 0.005 0.000 2.433 295 D HA 0.147 4.787 4.640 -0.001 0.000 0.211 295 D C 1.062 177.301 176.300 -0.101 0.000 1.114 295 D CA 0.751 54.729 54.000 -0.036 0.000 0.837 295 D CB 1.002 41.778 40.800 -0.040 0.000 0.984 295 D HN 0.406 nan 8.370 nan 0.000 0.505 296 G N 1.333 110.018 108.800 -0.191 0.000 2.284 296 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.247 296 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.247 296 G C 0.258 174.761 174.900 -0.661 0.000 1.012 296 G CA 0.369 45.265 45.100 -0.340 0.000 0.618 296 G HN 0.453 nan 8.290 nan 0.000 0.521 297 E N 1.077 121.006 120.200 -0.451 0.000 2.115 297 E HA 0.534 4.884 4.350 -0.001 0.000 0.282 297 E C -0.441 175.953 176.600 -0.343 0.000 0.987 297 E CA -0.847 55.359 56.400 -0.324 0.000 0.797 297 E CB 0.195 29.831 29.700 -0.107 0.000 1.086 297 E HN 0.191 nan 8.360 nan 0.000 0.397 298 F N 3.218 123.228 119.950 0.099 0.000 2.380 298 F HA 0.280 4.806 4.527 -0.001 0.000 0.325 298 F C 0.775 176.639 175.800 0.107 0.000 1.136 298 F CA -0.500 57.569 58.000 0.115 0.000 1.171 298 F CB 0.803 39.889 39.000 0.142 0.000 1.230 298 F HN 0.330 nan 8.300 nan 0.000 0.554 299 K N 0.949 121.524 120.400 0.292 0.000 2.345 299 K HA 0.446 4.766 4.320 -0.001 0.000 0.255 299 K C -1.813 174.927 176.600 0.233 0.000 0.934 299 K CA -0.848 55.564 56.287 0.208 0.000 0.801 299 K CB 2.034 34.604 32.500 0.117 0.000 1.137 299 K HN 0.665 nan 8.250 nan 0.000 0.424 300 D N 3.033 123.600 120.400 0.278 0.000 2.378 300 D HA 0.085 4.724 4.640 -0.001 0.000 0.265 300 D C -0.425 176.012 176.300 0.229 0.000 1.229 300 D CA -0.511 53.644 54.000 0.257 0.000 0.914 300 D CB 1.163 42.240 40.800 0.461 0.000 1.140 300 D HN 0.676 nan 8.370 nan 0.000 0.516 301 E N 0.570 120.847 120.200 0.127 0.000 2.494 301 E HA 0.002 4.351 4.350 -0.001 0.000 0.193 301 E C 1.278 177.907 176.600 0.048 0.000 1.074 301 E CA -0.013 56.453 56.400 0.111 0.000 0.867 301 E CB 1.127 30.871 29.700 0.073 0.000 0.924 301 E HN 0.331 nan 8.360 nan 0.000 0.502 302 V N -1.018 118.897 119.914 0.002 0.000 3.151 302 V HA 0.021 4.141 4.120 -0.001 0.000 0.241 302 V C 1.460 177.543 176.094 -0.019 0.000 1.173 302 V CA 0.446 62.705 62.300 -0.069 0.000 1.154 302 V CB -0.081 31.634 31.823 -0.180 0.000 0.898 302 V HN 0.232 nan 8.190 nan 0.000 0.473 303 F N 0.754 120.703 119.950 -0.001 0.000 2.102 303 F HA -0.190 4.337 4.527 -0.001 0.000 0.298 303 F C 2.303 178.039 175.800 -0.107 0.000 1.105 303 F CA 2.327 60.311 58.000 -0.027 0.000 1.239 303 F CB -0.062 38.939 39.000 0.001 0.000 0.991 303 F HN 0.320 nan 8.300 nan 0.000 0.474 304 L N 0.007 121.243 121.223 0.020 0.000 2.027 304 L HA -0.016 4.324 4.340 -0.001 0.000 0.206 304 L C -1.051 175.761 176.870 -0.097 0.000 1.074 304 L CA 1.361 56.081 54.840 -0.200 0.000 0.745 304 L CB -2.286 39.497 42.059 -0.460 0.000 0.898 304 L HN -0.106 nan 8.230 nan 0.000 0.433 305 P HA -0.182 nan 4.420 nan 0.000 0.215 305 P C 1.782 179.138 177.300 0.094 0.000 1.153 305 P CA 2.536 65.661 63.100 0.041 0.000 0.853 305 P CB -0.372 31.341 31.700 0.021 0.000 0.788 306 T N -1.918 112.681 114.554 0.075 0.000 2.652 306 T HA -0.207 4.143 4.350 -0.001 0.000 0.267 306 T C 1.768 176.578 174.700 0.183 0.000 1.039 306 T CA 1.215 63.394 62.100 0.130 0.000 1.153 306 T CB -1.372 67.555 68.868 0.097 0.000 0.863 306 T HN -0.099 nan 8.240 nan 0.000 0.428 307 L N 1.334 122.597 121.223 0.066 0.000 2.083 307 L HA 0.138 4.478 4.340 -0.001 0.000 0.209 307 L C 2.847 179.644 176.870 -0.120 0.000 1.083 307 L CA 1.450 56.281 54.840 -0.014 0.000 0.752 307 L CB -0.910 41.034 42.059 -0.191 0.000 0.899 307 L HN 0.230 nan 8.230 nan 0.000 0.433 308 R N -2.207 118.215 120.500 -0.130 0.000 2.103 308 R HA -0.232 4.107 4.340 -0.001 0.000 0.242 308 R C 2.084 178.490 176.300 0.177 0.000 1.142 308 R CA 1.945 58.016 56.100 -0.048 0.000 0.960 308 R CB -0.448 29.888 30.300 0.060 0.000 0.858 308 R HN 0.330 nan 8.270 nan 0.000 0.439 309 Y N -0.286 120.071 120.300 0.095 0.000 2.519 309 Y HA -0.052 4.497 4.550 -0.001 0.000 0.287 309 Y C 1.739 177.709 175.900 0.117 0.000 1.128 309 Y CA 0.425 58.569 58.100 0.074 0.000 1.282 309 Y CB 0.180 38.724 38.460 0.141 0.000 1.027 309 Y HN 0.031 nan 8.280 nan 0.000 0.551 310 L N -1.241 120.201 121.223 0.365 0.000 2.095 310 L HA -0.092 4.247 4.340 -0.001 0.000 0.204 310 L C 1.933 179.041 176.870 0.397 0.000 1.080 310 L CA 1.706 56.774 54.840 0.380 0.000 0.759 310 L CB -0.919 41.387 42.059 0.413 0.000 0.914 310 L HN 0.169 nan 8.230 nan 0.000 0.439 311 F N -0.569 119.463 119.950 0.138 0.000 2.202 311 F HA -0.251 4.275 4.527 -0.001 0.000 0.301 311 F C 2.372 178.312 175.800 0.233 0.000 1.082 311 F CA 0.521 58.622 58.000 0.167 0.000 1.313 311 F CB -0.367 38.723 39.000 0.150 0.000 1.024 311 F HN 0.272 nan 8.300 nan 0.000 0.495 312 A N 0.158 123.141 122.820 0.271 0.000 1.855 312 A HA -0.136 4.184 4.320 -0.001 0.000 0.213 312 A C 1.924 179.377 177.584 -0.218 0.000 1.195 312 A CA 1.110 53.043 52.037 -0.173 0.000 0.610 312 A CB -1.011 17.622 19.000 -0.612 0.000 0.837 312 A HN 0.329 nan 8.150 nan 0.000 0.444 313 L N 0.844 121.926 121.223 -0.235 0.000 2.191 313 L HA -0.116 4.224 4.340 -0.001 0.000 0.212 313 L C 2.337 179.232 176.870 0.042 0.000 1.103 313 L CA 2.922 57.636 54.840 -0.210 0.000 0.769 313 L CB -0.865 41.024 42.059 -0.284 0.000 0.908 313 L HN 0.532 nan 8.230 nan 0.000 0.438 314 T N -3.898 110.730 114.554 0.123 0.000 3.014 314 T HA 0.172 4.521 4.350 -0.001 0.000 0.263 314 T C 1.770 176.538 174.700 0.113 0.000 1.078 314 T CA 0.601 62.806 62.100 0.176 0.000 1.135 314 T CB -0.474 68.474 68.868 0.133 0.000 0.895 314 T HN 0.328 nan 8.240 nan 0.000 0.480 315 A N 1.113 123.983 122.820 0.083 0.000 1.943 315 A HA 0.710 5.030 4.320 -0.001 0.000 0.213 315 A C 1.514 179.107 177.584 0.016 0.000 1.181 315 A CA 0.884 52.961 52.037 0.067 0.000 0.653 315 A CB -0.457 18.634 19.000 0.152 0.000 0.833 315 A HN 0.824 nan 8.150 nan 0.000 0.451 316 G N -1.995 106.779 108.800 -0.043 0.000 2.565 316 G HA2 0.383 4.343 3.960 -0.001 0.000 0.142 316 G HA3 0.383 4.343 3.960 -0.001 0.000 0.142 316 G C -1.387 173.414 174.900 -0.165 0.000 1.181 316 G CA 0.329 45.386 45.100 -0.072 0.000 1.066 316 G HN 0.383 nan 8.290 nan 0.000 0.530 317 V N 2.595 122.362 119.914 -0.244 0.000 2.205 317 V HA 0.309 4.428 4.120 -0.001 0.000 0.263 317 V C -1.521 174.361 176.094 -0.354 0.000 1.138 317 V CA -0.700 61.355 62.300 -0.409 0.000 1.059 317 V CB 0.743 32.249 31.823 -0.528 0.000 1.232 317 V HN 0.488 nan 8.190 nan 0.000 0.469 318 P HA 0.140 nan 4.420 nan 0.000 0.223 318 P C 0.825 177.966 177.300 -0.265 0.000 1.151 318 P CA 0.989 63.873 63.100 -0.359 0.000 0.787 318 P CB 0.373 31.760 31.700 -0.521 0.000 0.788 319 G N -2.509 106.117 108.800 -0.290 0.000 2.451 319 G HA2 0.189 4.148 3.960 -0.001 0.000 0.292 319 G HA3 0.189 4.148 3.960 -0.001 0.000 0.292 319 G C -1.868 172.877 174.900 -0.260 0.000 1.427 319 G CA -0.514 44.458 45.100 -0.213 0.000 0.792 319 G HN -0.149 nan 8.290 nan 0.000 0.498 320 H N 1.742 120.756 119.070 -0.095 0.000 2.787 320 H HA 0.255 4.810 4.556 -0.001 0.000 0.275 320 H C -0.108 175.142 175.328 -0.130 0.000 1.183 320 H CA -0.268 55.711 56.048 -0.115 0.000 1.290 320 H CB 1.207 30.928 29.762 -0.067 0.000 1.438 320 H HN 0.327 nan 8.280 nan 0.000 0.487 321 E N 3.423 123.550 120.200 -0.123 0.000 2.148 321 E HA 0.110 4.460 4.350 -0.001 0.000 0.308 321 E C -0.047 176.450 176.600 -0.171 0.000 1.278 321 E CA -0.355 55.896 56.400 -0.248 0.000 1.368 321 E CB -0.309 28.960 29.700 -0.718 0.000 1.229 321 E HN 0.223 nan 8.360 nan 0.000 0.494 322 V N -0.828 119.081 119.914 -0.008 0.000 2.443 322 V HA 0.381 4.501 4.120 -0.001 0.000 0.293 322 V C -0.082 176.104 176.094 0.154 0.000 1.021 322 V CA -1.006 61.314 62.300 0.033 0.000 0.848 322 V CB 2.276 34.058 31.823 -0.069 0.000 0.998 322 V HN 0.092 nan 8.190 nan 0.000 0.424 323 D N 3.052 123.591 120.400 0.231 0.000 2.329 323 D HA 0.212 4.852 4.640 -0.001 0.000 0.232 323 D C -0.800 175.576 176.300 0.127 0.000 1.088 323 D CA -0.163 53.965 54.000 0.214 0.000 0.835 323 D CB 2.149 43.148 40.800 0.332 0.000 1.078 323 D HN 0.594 nan 8.370 nan 0.000 0.495 324 D N 3.429 123.903 120.400 0.123 0.000 2.342 324 D HA 0.059 4.698 4.640 -0.001 0.000 0.260 324 D C 1.730 178.010 176.300 -0.034 0.000 1.278 324 D CA -0.163 53.879 54.000 0.069 0.000 0.910 324 D CB 0.855 41.748 40.800 0.156 0.000 1.079 324 D HN 0.418 nan 8.370 nan 0.000 0.496 325 I N 2.189 122.701 120.570 -0.097 0.000 2.091 325 I HA -0.330 3.839 4.170 -0.001 0.000 0.240 325 I C 1.584 177.585 176.117 -0.193 0.000 1.046 325 I CA 1.215 62.401 61.300 -0.190 0.000 1.306 325 I CB -0.083 37.840 38.000 -0.127 0.000 1.018 325 I HN 0.341 nan 8.210 nan 0.000 0.404 326 D N -0.366 119.885 120.400 -0.248 0.000 2.403 326 D HA -0.133 4.507 4.640 -0.001 0.000 0.227 326 D C 0.829 176.896 176.300 -0.389 0.000 0.995 326 D CA 0.596 54.408 54.000 -0.313 0.000 0.928 326 D CB -0.492 40.075 40.800 -0.389 0.000 0.887 326 D HN 0.338 nan 8.370 nan 0.000 0.529 327 H N 0.925 119.795 119.070 -0.333 0.000 2.886 327 H HA -0.013 4.542 4.556 -0.001 0.000 0.329 327 H C 1.150 176.555 175.328 0.129 0.000 1.044 327 H CA -0.266 55.814 56.048 0.052 0.000 1.456 327 H CB 1.026 30.866 29.762 0.130 0.000 1.464 327 H HN -0.096 nan 8.280 nan 0.000 0.573 328 L N 4.500 126.009 121.223 0.477 0.000 2.353 328 L HA -0.050 4.289 4.340 -0.001 0.000 0.220 328 L C 2.580 179.742 176.870 0.488 0.000 1.133 328 L CA 1.548 56.619 54.840 0.384 0.000 0.798 328 L CB -0.467 41.783 42.059 0.319 0.000 0.922 328 L HN 0.829 nan 8.230 nan 0.000 0.445 329 G N -0.873 108.247 108.800 0.533 0.000 2.509 329 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 329 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 329 G C 1.393 176.560 174.900 0.445 0.000 1.124 329 G CA 0.448 45.755 45.100 0.345 0.000 0.776 329 G HN 0.412 nan 8.290 nan 0.000 0.547 330 N N -0.041 118.832 118.700 0.287 0.000 2.282 330 N HA 0.089 4.829 4.740 -0.001 0.000 0.185 330 N C 0.467 175.995 175.510 0.031 0.000 1.099 330 N CA 0.115 53.236 53.050 0.117 0.000 0.878 330 N CB 0.578 38.904 38.487 -0.269 0.000 0.993 330 N HN 0.220 nan 8.380 nan 0.000 0.481 331 R N 1.369 121.925 120.500 0.094 0.000 2.320 331 R HA 0.306 4.645 4.340 -0.001 0.000 0.319 331 R C -0.255 175.964 176.300 -0.135 0.000 0.969 331 R CA -0.538 55.537 56.100 -0.042 0.000 0.857 331 R CB 1.414 31.716 30.300 0.004 0.000 1.160 331 R HN 0.185 nan 8.270 nan 0.000 0.491 332 R N 1.746 121.988 120.500 -0.430 0.000 2.536 332 R HA 0.503 4.843 4.340 -0.001 0.000 0.279 332 R C -0.553 175.550 176.300 -0.329 0.000 1.001 332 R CA -0.827 54.854 56.100 -0.698 0.000 1.027 332 R CB 0.813 30.485 30.300 -1.046 0.000 1.096 332 R HN 0.148 nan 8.270 nan 0.000 0.502 333 I N 1.738 122.143 120.570 -0.275 0.000 2.377 333 I HA 0.277 4.447 4.170 -0.001 0.000 0.293 333 I C 0.108 176.179 176.117 -0.077 0.000 0.987 333 I CA -0.923 60.308 61.300 -0.114 0.000 1.185 333 I CB 1.708 39.649 38.000 -0.099 0.000 1.341 333 I HN 0.525 nan 8.210 nan 0.000 0.455 334 R N 4.423 124.913 120.500 -0.016 0.000 2.287 334 R HA 0.374 4.713 4.340 -0.001 0.000 0.327 334 R C 0.006 176.298 176.300 -0.013 0.000 1.109 334 R CA -0.528 55.564 56.100 -0.012 0.000 1.013 334 R CB 0.102 30.390 30.300 -0.021 0.000 1.126 334 R HN 0.711 nan 8.270 nan 0.000 0.503 335 T N -1.526 113.021 114.554 -0.012 0.000 2.748 335 T HA 0.020 4.370 4.350 -0.001 0.000 0.304 335 T C 1.824 176.552 174.700 0.047 0.000 1.041 335 T CA -0.876 61.229 62.100 0.008 0.000 1.033 335 T CB 0.903 69.775 68.868 0.007 0.000 0.995 335 T HN 0.148 nan 8.240 nan 0.000 0.536 336 V N 2.293 122.254 119.914 0.077 0.000 2.250 336 V HA -0.200 3.920 4.120 -0.001 0.000 0.250 336 V C 2.987 179.205 176.094 0.208 0.000 1.060 336 V CA 2.525 64.908 62.300 0.138 0.000 1.030 336 V CB -1.877 30.051 31.823 0.175 0.000 0.643 336 V HN 1.161 nan 8.190 nan 0.000 0.445 337 G N -0.922 108.021 108.800 0.238 0.000 2.574 337 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.220 337 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.220 337 G C 1.530 176.504 174.900 0.124 0.000 1.173 337 G CA 1.326 46.569 45.100 0.239 0.000 0.772 337 G HN 0.604 nan 8.290 nan 0.000 0.585 338 E N -0.219 120.019 120.200 0.064 0.000 2.085 338 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 338 E C 2.552 179.141 176.600 -0.018 0.000 0.994 338 E CA 0.805 57.212 56.400 0.012 0.000 0.801 338 E CB -0.174 29.525 29.700 -0.002 0.000 0.743 338 E HN 0.445 nan 8.360 nan 0.000 0.453 339 L N 0.544 121.771 121.223 0.007 0.000 2.201 339 L HA -0.139 4.201 4.340 -0.001 0.000 0.212 339 L C 2.477 179.191 176.870 -0.260 0.000 1.105 339 L CA 0.814 55.617 54.840 -0.062 0.000 0.775 339 L CB -0.290 41.861 42.059 0.153 0.000 0.913 339 L HN 0.349 nan 8.230 nan 0.000 0.440 340 M N -1.192 118.410 119.600 0.004 0.000 2.325 340 M HA -0.103 4.377 4.480 -0.001 0.000 0.265 340 M C 2.318 178.646 176.300 0.046 0.000 1.094 340 M CA 1.843 57.192 55.300 0.082 0.000 1.161 340 M CB -0.467 32.466 32.600 0.554 0.000 1.358 340 M HN 0.194 nan 8.290 nan 0.000 0.446 341 T N 0.842 115.414 114.554 0.031 0.000 2.833 341 T HA -0.177 4.173 4.350 -0.001 0.000 0.269 341 T C 1.570 176.296 174.700 0.044 0.000 1.054 341 T CA 2.011 64.118 62.100 0.012 0.000 1.135 341 T CB -0.404 68.436 68.868 -0.047 0.000 0.869 341 T HN 0.450 nan 8.240 nan 0.000 0.466 342 D N -0.032 120.326 120.400 -0.070 0.000 2.097 342 D HA -0.073 4.566 4.640 -0.001 0.000 0.197 342 D C 2.187 178.395 176.300 -0.153 0.000 0.984 342 D CA 1.106 55.038 54.000 -0.113 0.000 0.826 342 D CB -0.156 40.544 40.800 -0.168 0.000 0.973 342 D HN 0.303 nan 8.370 nan 0.000 0.460 343 Q N -0.538 119.093 119.800 -0.283 0.000 2.224 343 Q HA -0.059 4.280 4.340 -0.001 0.000 0.203 343 Q C 1.828 177.764 176.000 -0.108 0.000 0.970 343 Q CA 0.551 56.191 55.803 -0.273 0.000 0.865 343 Q CB -0.575 27.854 28.738 -0.515 0.000 0.922 343 Q HN 0.383 nan 8.270 nan 0.000 0.445 344 F N 0.978 120.829 119.950 -0.165 0.000 2.146 344 F HA -0.143 4.383 4.527 -0.001 0.000 0.298 344 F C 1.982 177.677 175.800 -0.176 0.000 1.096 344 F CA 1.500 59.415 58.000 -0.141 0.000 1.275 344 F CB 0.011 38.930 39.000 -0.134 0.000 1.008 344 F HN 0.078 nan 8.300 nan 0.000 0.480 345 R N -0.296 120.142 120.500 -0.102 0.000 2.193 345 R HA 0.017 4.357 4.340 -0.001 0.000 0.213 345 R C 1.704 177.871 176.300 -0.222 0.000 1.055 345 R CA 1.330 57.309 56.100 -0.201 0.000 0.995 345 R CB -1.208 29.066 30.300 -0.043 0.000 0.893 345 R HN 0.280 nan 8.270 nan 0.000 0.459 346 V N 1.658 121.463 119.914 -0.182 0.000 2.295 346 V HA -0.138 3.982 4.120 -0.001 0.000 0.246 346 V C 2.582 178.564 176.094 -0.187 0.000 1.049 346 V CA 2.118 64.323 62.300 -0.158 0.000 1.024 346 V CB -0.954 30.790 31.823 -0.132 0.000 0.648 346 V HN 0.634 nan 8.190 nan 0.000 0.447 347 G N -0.334 108.322 108.800 -0.239 0.000 2.422 347 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.218 347 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.218 347 G C 1.535 176.241 174.900 -0.323 0.000 1.146 347 G CA 0.766 45.712 45.100 -0.255 0.000 0.769 347 G HN 0.389 nan 8.290 nan 0.000 0.547 348 L N 1.198 122.138 121.223 -0.471 0.000 2.083 348 L HA 0.089 4.429 4.340 -0.001 0.000 0.209 348 L C 3.224 179.940 176.870 -0.257 0.000 1.083 348 L CA 1.734 56.307 54.840 -0.445 0.000 0.752 348 L CB -0.629 41.097 42.059 -0.555 0.000 0.899 348 L HN 0.273 nan 8.230 nan 0.000 0.433 349 A N -0.679 122.017 122.820 -0.208 0.000 1.902 349 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 349 A C 2.388 179.899 177.584 -0.121 0.000 1.181 349 A CA 1.487 53.440 52.037 -0.140 0.000 0.623 349 A CB -0.449 18.481 19.000 -0.116 0.000 0.818 349 A HN 0.398 nan 8.150 nan 0.000 0.443 350 R N -1.105 119.319 120.500 -0.127 0.000 2.096 350 R HA -0.108 4.232 4.340 -0.001 0.000 0.235 350 R C 2.076 178.319 176.300 -0.096 0.000 1.127 350 R CA 1.424 57.465 56.100 -0.099 0.000 0.968 350 R CB -0.537 29.706 30.300 -0.096 0.000 0.861 350 R HN 0.511 nan 8.270 nan 0.000 0.440 351 L N 0.593 121.741 121.223 -0.125 0.000 2.068 351 L HA 0.058 4.398 4.340 -0.001 0.000 0.204 351 L C 2.279 179.086 176.870 -0.105 0.000 1.076 351 L CA 1.772 56.545 54.840 -0.112 0.000 0.753 351 L CB -0.592 41.382 42.059 -0.141 0.000 0.910 351 L HN 0.083 nan 8.230 nan 0.000 0.439 352 A N -0.528 122.217 122.820 -0.125 0.000 2.024 352 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 352 A C 2.445 179.979 177.584 -0.083 0.000 1.164 352 A CA 1.675 53.643 52.037 -0.115 0.000 0.643 352 A CB -0.608 18.321 19.000 -0.118 0.000 0.806 352 A HN 0.503 nan 8.150 nan 0.000 0.451 353 R N -1.062 119.393 120.500 -0.075 0.000 2.062 353 R HA -0.103 4.236 4.340 -0.001 0.000 0.231 353 R C 2.394 178.666 176.300 -0.046 0.000 1.136 353 R CA 1.362 57.429 56.100 -0.055 0.000 0.948 353 R CB -0.566 29.703 30.300 -0.052 0.000 0.845 353 R HN 0.516 nan 8.270 nan 0.000 0.430 354 G N -0.345 108.427 108.800 -0.047 0.000 2.448 354 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.218 354 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.218 354 G C 1.314 176.193 174.900 -0.035 0.000 1.135 354 G CA 0.474 45.553 45.100 -0.035 0.000 0.784 354 G HN 0.273 nan 8.290 nan 0.000 0.543 355 V N 0.830 120.716 119.914 -0.048 0.000 2.427 355 V HA -0.085 4.035 4.120 -0.001 0.000 0.248 355 V C 2.797 178.867 176.094 -0.041 0.000 1.051 355 V CA 1.669 63.941 62.300 -0.047 0.000 1.048 355 V CB -0.358 31.420 31.823 -0.074 0.000 0.666 355 V HN 0.307 nan 8.190 nan 0.000 0.456 356 R N -0.293 120.181 120.500 -0.043 0.000 2.127 356 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 356 R C 2.180 178.465 176.300 -0.024 0.000 1.134 356 R CA 1.468 57.547 56.100 -0.035 0.000 0.975 356 R CB -0.486 29.794 30.300 -0.034 0.000 0.865 356 R HN 0.547 nan 8.270 nan 0.000 0.447 357 E N 0.496 120.684 120.200 -0.021 0.000 2.152 357 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 357 E C 1.814 178.409 176.600 -0.009 0.000 0.983 357 E CA 0.841 57.234 56.400 -0.013 0.000 0.818 357 E CB -0.011 29.683 29.700 -0.011 0.000 0.758 357 E HN 0.139 nan 8.360 nan 0.000 0.467 358 R N -0.180 120.314 120.500 -0.010 0.000 2.299 358 R HA 0.152 4.492 4.340 -0.001 0.000 0.197 358 R C 2.093 178.392 176.300 -0.002 0.000 0.971 358 R CA 0.099 56.197 56.100 -0.003 0.000 1.030 358 R CB -0.044 30.255 30.300 -0.002 0.000 0.932 358 R HN 0.082 nan 8.270 nan 0.000 0.477 359 M N 0.257 119.851 119.600 -0.011 0.000 2.296 359 M HA -0.082 4.398 4.480 -0.001 0.000 0.265 359 M C 1.067 177.365 176.300 -0.003 0.000 1.064 359 M CA 1.702 56.993 55.300 -0.015 0.000 1.109 359 M CB 0.091 32.675 32.600 -0.028 0.000 1.396 359 M HN 0.181 nan 8.290 nan 0.000 0.430 360 L N -2.835 118.388 121.223 0.000 0.000 2.408 360 L HA 0.030 4.370 4.340 -0.001 0.000 0.215 360 L C 2.316 179.192 176.870 0.011 0.000 1.081 360 L CA 0.091 54.934 54.840 0.006 0.000 0.840 360 L CB -0.634 41.426 42.059 0.003 0.000 1.002 360 L HN 0.155 nan 8.230 nan 0.000 0.468 361 M N 1.018 120.623 119.600 0.010 0.000 2.160 361 M HA 0.077 4.557 4.480 -0.001 0.000 0.264 361 M C 1.205 177.516 176.300 0.018 0.000 1.073 361 M CA 0.923 56.230 55.300 0.012 0.000 1.142 361 M CB -0.271 32.334 32.600 0.009 0.000 1.358 361 M HN 0.348 nan 8.290 nan 0.000 0.422 362 G N 0.457 109.271 108.800 0.022 0.000 2.272 362 G HA2 0.108 4.068 3.960 -0.001 0.000 0.247 362 G HA3 0.108 4.068 3.960 -0.001 0.000 0.247 362 G C 0.581 175.502 174.900 0.036 0.000 1.272 362 G CA -0.187 44.932 45.100 0.031 0.000 0.921 362 G HN 0.409 nan 8.290 nan 0.000 0.495 363 S N 2.135 117.853 115.700 0.030 0.000 2.462 363 S HA -0.080 4.390 4.470 -0.001 0.000 0.219 363 S C 1.152 175.773 174.600 0.036 0.000 1.048 363 S CA 0.977 59.193 58.200 0.027 0.000 1.119 363 S CB -0.167 63.044 63.200 0.018 0.000 1.100 363 S HN 0.718 nan 8.310 nan 0.000 0.411 364 E N 0.515 120.733 120.200 0.030 0.000 2.568 364 E HA 0.189 4.538 4.350 -0.001 0.000 0.242 364 E C 1.182 177.809 176.600 0.045 0.000 0.945 364 E CA -0.420 55.994 56.400 0.024 0.000 0.918 364 E CB -0.274 29.419 29.700 -0.013 0.000 1.386 364 E HN 0.394 nan 8.360 nan 0.000 0.426 365 D N 0.212 120.588 120.400 -0.041 0.000 2.172 365 D HA -0.143 4.496 4.640 -0.001 0.000 0.196 365 D C -0.115 176.237 176.300 0.087 0.000 0.999 365 D CA 0.858 54.830 54.000 -0.046 0.000 0.856 365 D CB -0.140 40.409 40.800 -0.418 0.000 0.934 365 D HN 0.034 nan 8.370 nan 0.000 0.453 366 S N -0.064 115.655 115.700 0.032 0.000 3.355 366 S HA 0.210 4.680 4.470 -0.001 0.000 0.293 366 S C 0.411 175.045 174.600 0.057 0.000 1.197 366 S CA -0.226 57.998 58.200 0.040 0.000 1.117 366 S CB -0.335 62.876 63.200 0.017 0.000 1.587 366 S HN 0.318 nan 8.310 nan 0.000 0.536 367 L N 0.730 122.001 121.223 0.080 0.000 3.519 367 L HA 0.244 4.584 4.340 -0.001 0.000 0.323 367 L C 1.459 178.363 176.870 0.058 0.000 1.289 367 L CA -0.175 54.705 54.840 0.066 0.000 1.039 367 L CB -0.605 41.499 42.059 0.075 0.000 1.438 367 L HN 0.220 nan 8.230 nan 0.000 0.619 368 T N 0.366 114.956 114.554 0.061 0.000 2.698 368 T HA 0.008 4.357 4.350 -0.001 0.000 0.260 368 T C -0.647 174.085 174.700 0.053 0.000 1.044 368 T CA 1.659 63.794 62.100 0.058 0.000 1.149 368 T CB -0.762 68.140 68.868 0.057 0.000 0.864 368 T HN 0.231 nan 8.240 nan 0.000 0.419 369 P HA 0.006 nan 4.420 nan 0.000 0.201 369 P C 1.428 178.759 177.300 0.052 0.000 0.995 369 P CA 1.346 64.473 63.100 0.045 0.000 0.866 369 P CB -0.424 31.294 31.700 0.031 0.000 0.652 370 A N -1.140 121.708 122.820 0.048 0.000 1.968 370 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 370 A C 2.142 179.749 177.584 0.039 0.000 1.169 370 A CA 1.804 53.871 52.037 0.050 0.000 0.638 370 A CB -1.159 17.869 19.000 0.048 0.000 0.812 370 A HN 0.110 nan 8.150 nan 0.000 0.446 371 K N -0.827 119.594 120.400 0.035 0.000 2.097 371 K HA -0.019 4.301 4.320 -0.001 0.000 0.206 371 K C 1.424 178.036 176.600 0.019 0.000 1.049 371 K CA 1.184 57.487 56.287 0.028 0.000 0.933 371 K CB -0.208 32.311 32.500 0.032 0.000 0.717 371 K HN 0.368 nan 8.250 nan 0.000 0.442 372 L N -0.870 120.365 121.223 0.019 0.000 2.408 372 L HA 0.121 4.460 4.340 -0.001 0.000 0.215 372 L C -0.206 176.664 176.870 -0.001 0.000 1.081 372 L CA 0.387 55.228 54.840 0.001 0.000 0.840 372 L CB 0.619 42.677 42.059 -0.003 0.000 1.002 372 L HN -0.204 nan 8.230 nan 0.000 0.468 373 V N 1.337 121.265 119.914 0.024 0.000 2.555 373 V HA 0.473 4.592 4.120 -0.001 0.000 0.302 373 V C -0.753 175.366 176.094 0.043 0.000 1.038 373 V CA -0.831 61.488 62.300 0.031 0.000 0.887 373 V CB 1.736 33.600 31.823 0.068 0.000 0.991 373 V HN 0.419 nan 8.190 nan 0.000 0.434 374 N N 2.114 120.830 118.700 0.026 0.000 2.461 374 N HA 0.132 4.871 4.740 -0.001 0.000 0.284 374 N C 0.407 175.926 175.510 0.016 0.000 1.049 374 N CA -0.154 52.912 53.050 0.027 0.000 0.889 374 N CB 2.023 40.516 38.487 0.010 0.000 1.365 374 N HN 0.562 nan 8.380 nan 0.000 0.499 375 S N 1.861 117.579 115.700 0.029 0.000 2.561 375 S HA -0.039 4.431 4.470 -0.001 0.000 0.225 375 S C 1.581 176.173 174.600 -0.014 0.000 0.977 375 S CA 0.155 58.359 58.200 0.006 0.000 0.926 375 S CB -0.050 63.153 63.200 0.005 0.000 0.769 375 S HN 0.471 nan 8.310 nan 0.000 0.533 376 R N 2.751 123.247 120.500 -0.007 0.000 2.083 376 R HA 0.078 4.418 4.340 -0.001 0.000 0.237 376 R C -0.869 175.419 176.300 -0.021 0.000 1.137 376 R CA 1.594 57.688 56.100 -0.009 0.000 0.951 376 R CB -1.693 28.605 30.300 -0.004 0.000 0.851 376 R HN 0.397 nan 8.270 nan 0.000 0.434 377 P HA -0.159 nan 4.420 nan 0.000 0.211 377 P C 1.192 178.454 177.300 -0.063 0.000 1.179 377 P CA 0.808 63.877 63.100 -0.052 0.000 0.910 377 P CB -0.079 31.578 31.700 -0.073 0.000 0.785 378 L N -0.365 120.806 121.223 -0.088 0.000 2.043 378 L HA -0.218 4.121 4.340 -0.001 0.000 0.212 378 L C 2.230 179.076 176.870 -0.041 0.000 1.075 378 L CA 2.020 56.798 54.840 -0.104 0.000 0.752 378 L CB -1.402 40.579 42.059 -0.131 0.000 0.891 378 L HN -0.135 nan 8.230 nan 0.000 0.432 379 E N -0.268 119.918 120.200 -0.023 0.000 2.013 379 E HA -0.217 4.133 4.350 -0.001 0.000 0.202 379 E C 2.212 178.827 176.600 0.026 0.000 1.018 379 E CA 1.803 58.208 56.400 0.009 0.000 0.834 379 E CB -0.804 28.902 29.700 0.010 0.000 0.770 379 E HN 0.506 nan 8.360 nan 0.000 0.459 380 A N 0.626 123.455 122.820 0.016 0.000 1.986 380 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 380 A C 2.331 179.939 177.584 0.040 0.000 1.171 380 A CA 2.572 54.624 52.037 0.025 0.000 0.640 380 A CB -0.947 18.059 19.000 0.010 0.000 0.811 380 A HN 0.337 nan 8.150 nan 0.000 0.451 381 A N 0.139 122.973 122.820 0.023 0.000 1.835 381 A HA -0.064 4.256 4.320 -0.001 0.000 0.215 381 A C 2.125 179.774 177.584 0.108 0.000 1.199 381 A CA 1.544 53.598 52.037 0.029 0.000 0.615 381 A CB -0.722 18.257 19.000 -0.035 0.000 0.838 381 A HN 0.488 nan 8.150 nan 0.000 0.444 382 I N -0.328 120.321 120.570 0.131 0.000 2.113 382 I HA -0.309 3.861 4.170 -0.001 0.000 0.238 382 I C 2.686 179.023 176.117 0.368 0.000 1.070 382 I CA 1.984 63.455 61.300 0.285 0.000 1.332 382 I CB -0.504 37.619 38.000 0.205 0.000 1.044 382 I HN 0.493 nan 8.210 nan 0.000 0.402 383 R N 1.577 122.191 120.500 0.190 0.000 2.140 383 R HA -0.300 4.039 4.340 -0.001 0.000 0.250 383 R C 2.090 178.499 176.300 0.181 0.000 1.150 383 R CA 2.414 58.604 56.100 0.150 0.000 0.966 383 R CB -0.517 29.828 30.300 0.076 0.000 0.869 383 R HN 0.421 nan 8.270 nan 0.000 0.445 384 E N -0.646 119.652 120.200 0.163 0.000 2.085 384 E HA -0.217 4.132 4.350 -0.001 0.000 0.194 384 E C 1.634 178.334 176.600 0.167 0.000 0.994 384 E CA 1.492 57.970 56.400 0.130 0.000 0.801 384 E CB -0.251 29.512 29.700 0.105 0.000 0.743 384 E HN 0.453 nan 8.360 nan 0.000 0.453 385 F N -0.212 119.776 119.950 0.064 0.000 2.134 385 F HA -0.121 4.405 4.527 -0.001 0.000 0.299 385 F C 1.463 177.148 175.800 -0.191 0.000 1.097 385 F CA 1.267 59.222 58.000 -0.074 0.000 1.264 385 F CB -0.261 38.667 39.000 -0.120 0.000 1.001 385 F HN 0.052 nan 8.300 nan 0.000 0.479 386 F N -0.375 119.466 119.950 -0.182 0.000 2.512 386 F HA -0.004 4.522 4.527 -0.001 0.000 0.296 386 F C 2.570 178.208 175.800 -0.270 0.000 1.110 386 F CA 0.986 58.768 58.000 -0.363 0.000 1.446 386 F CB -0.773 38.064 39.000 -0.272 0.000 1.092 386 F HN 0.070 nan 8.300 nan 0.000 0.554 387 S N -1.449 114.250 115.700 -0.001 0.000 2.524 387 S HA 0.191 4.660 4.470 -0.001 0.000 0.222 387 S C 1.673 176.233 174.600 -0.066 0.000 1.040 387 S CA -0.209 57.969 58.200 -0.037 0.000 0.915 387 S CB 0.236 63.435 63.200 -0.001 0.000 0.831 387 S HN 0.131 nan 8.310 nan 0.000 0.492 388 R N 1.630 122.092 120.500 -0.063 0.000 2.257 388 R HA 0.407 4.746 4.340 -0.001 0.000 0.195 388 R C 0.707 176.955 176.300 -0.087 0.000 0.921 388 R CA 0.389 56.458 56.100 -0.052 0.000 1.069 388 R CB -0.362 29.934 30.300 -0.007 0.000 1.115 388 R HN 0.340 nan 8.270 nan 0.000 0.571 389 S N 1.268 116.876 115.700 -0.153 0.000 2.702 389 S HA -0.137 4.332 4.470 -0.001 0.000 0.314 389 S C 1.040 175.533 174.600 -0.178 0.000 1.244 389 S CA 0.046 58.133 58.200 -0.188 0.000 1.058 389 S CB 0.441 63.312 63.200 -0.549 0.000 0.783 389 S HN 0.307 nan 8.310 nan 0.000 0.503 390 Q N 2.971 122.717 119.800 -0.090 0.000 2.197 390 Q HA -0.185 4.155 4.340 -0.001 0.000 0.207 390 Q C 1.941 177.884 176.000 -0.094 0.000 0.984 390 Q CA 1.773 57.536 55.803 -0.066 0.000 0.869 390 Q CB -0.153 28.568 28.738 -0.029 0.000 0.906 390 Q HN 0.846 nan 8.270 nan 0.000 0.426 391 L N 0.551 121.689 121.223 -0.141 0.000 2.005 391 L HA -0.076 4.264 4.340 -0.001 0.000 0.207 391 L C 0.750 177.471 176.870 -0.248 0.000 1.072 391 L CA 0.715 55.451 54.840 -0.173 0.000 0.744 391 L CB 0.003 41.965 42.059 -0.162 0.000 0.895 391 L HN 0.067 nan 8.230 nan 0.000 0.433 392 S N 0.190 115.648 115.700 -0.403 0.000 2.481 392 S HA 0.457 4.927 4.470 -0.001 0.000 0.276 392 S C -0.517 173.980 174.600 -0.173 0.000 1.247 392 S CA -0.802 57.170 58.200 -0.380 0.000 1.053 392 S CB 1.266 64.087 63.200 -0.632 0.000 0.925 392 S HN 0.334 nan 8.310 nan 0.000 0.491 393 Q N 1.255 121.041 119.800 -0.023 0.000 2.587 393 Q HA 0.550 4.890 4.340 -0.001 0.000 0.293 393 Q C -0.942 175.202 176.000 0.241 0.000 1.083 393 Q CA -1.054 54.813 55.803 0.108 0.000 0.792 393 Q CB 0.443 29.297 28.738 0.193 0.000 1.484 393 Q HN 0.616 nan 8.270 nan 0.000 0.446 394 F N 2.190 122.161 119.950 0.035 0.000 2.590 394 F HA 0.080 4.606 4.527 -0.001 0.000 0.389 394 F C 0.428 176.177 175.800 -0.085 0.000 1.049 394 F CA -0.229 57.764 58.000 -0.010 0.000 1.199 394 F CB 0.139 39.114 39.000 -0.042 0.000 1.058 394 F HN 0.382 nan 8.300 nan 0.000 0.556 395 K N 4.434 124.999 120.400 0.276 0.000 2.416 395 K HA -0.020 4.299 4.320 -0.001 0.000 0.283 395 K C -0.487 175.829 176.600 -0.473 0.000 1.037 395 K CA -0.258 55.985 56.287 -0.072 0.000 0.995 395 K CB 0.151 32.714 32.500 0.104 0.000 0.938 395 K HN 0.688 nan 8.250 nan 0.000 0.475 396 D N 4.147 124.101 120.400 -0.743 0.000 2.374 396 D HA 0.002 4.641 4.640 -0.001 0.000 0.240 396 D C -0.610 175.494 176.300 -0.327 0.000 1.229 396 D CA -0.082 53.593 54.000 -0.542 0.000 0.895 396 D CB 0.708 41.220 40.800 -0.480 0.000 1.046 396 D HN 0.412 nan 8.370 nan 0.000 0.498 397 E N 2.991 122.990 120.200 -0.336 0.000 3.269 397 E HA 0.064 4.414 4.350 -0.001 0.000 0.221 397 E C 0.628 177.083 176.600 -0.242 0.000 1.113 397 E CA -0.191 56.076 56.400 -0.223 0.000 1.385 397 E CB 0.645 30.241 29.700 -0.173 0.000 1.345 397 E HN 0.556 nan 8.360 nan 0.000 0.435 398 T N 1.341 115.737 114.554 -0.264 0.000 2.635 398 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 398 T C 0.830 175.422 174.700 -0.180 0.000 1.040 398 T CA 1.838 63.761 62.100 -0.296 0.000 1.156 398 T CB -0.217 68.515 68.868 -0.227 0.000 0.863 398 T HN 0.545 nan 8.240 nan 0.000 0.430 399 N N -0.416 118.216 118.700 -0.114 0.000 2.416 399 N HA 0.364 5.103 4.740 -0.001 0.000 0.276 399 N C -2.877 172.604 175.510 -0.049 0.000 1.261 399 N CA -1.814 51.198 53.050 -0.064 0.000 0.790 399 N CB 1.970 40.439 38.487 -0.030 0.000 1.554 399 N HN -0.309 nan 8.380 nan 0.000 0.481 400 P HA -0.247 nan 4.420 nan 0.000 0.216 400 P C 1.481 178.776 177.300 -0.008 0.000 1.167 400 P CA 1.093 64.180 63.100 -0.021 0.000 0.914 400 P CB 0.066 31.760 31.700 -0.010 0.000 0.793 401 L N -0.324 120.902 121.223 0.005 0.000 2.129 401 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 401 L C 2.261 179.138 176.870 0.011 0.000 1.087 401 L CA 2.491 57.339 54.840 0.014 0.000 0.757 401 L CB -1.493 40.581 42.059 0.025 0.000 0.896 401 L HN 0.033 nan 8.230 nan 0.000 0.434 402 S N -0.910 114.788 115.700 -0.004 0.000 2.348 402 S HA -0.238 4.231 4.470 -0.001 0.000 0.221 402 S C 2.189 176.794 174.600 0.008 0.000 1.033 402 S CA 1.618 59.813 58.200 -0.008 0.000 1.010 402 S CB -1.378 61.793 63.200 -0.049 0.000 0.891 402 S HN 0.749 nan 8.310 nan 0.000 0.442 403 S N 2.974 118.664 115.700 -0.017 0.000 2.369 403 S HA -0.198 4.271 4.470 -0.001 0.000 0.225 403 S C 1.916 176.549 174.600 0.055 0.000 1.043 403 S CA 1.525 59.729 58.200 0.007 0.000 1.074 403 S CB -1.356 61.834 63.200 -0.017 0.000 0.962 403 S HN 0.475 nan 8.310 nan 0.000 0.433 404 L N 1.908 123.148 121.223 0.028 0.000 1.997 404 L HA -0.129 4.211 4.340 -0.001 0.000 0.216 404 L C 2.910 179.801 176.870 0.034 0.000 1.074 404 L CA 2.346 57.201 54.840 0.024 0.000 0.763 404 L CB -0.792 41.273 42.059 0.012 0.000 0.890 404 L HN 0.380 nan 8.230 nan 0.000 0.434 405 R N -1.644 118.882 120.500 0.043 0.000 2.091 405 R HA -0.232 4.108 4.340 -0.001 0.000 0.238 405 R C 2.482 178.819 176.300 0.063 0.000 1.136 405 R CA 1.638 57.766 56.100 0.045 0.000 0.959 405 R CB -0.559 29.771 30.300 0.049 0.000 0.856 405 R HN 0.622 nan 8.270 nan 0.000 0.437 406 H N 0.662 119.727 119.070 -0.008 0.000 2.521 406 H HA -0.044 4.511 4.556 -0.001 0.000 0.286 406 H C 1.163 176.491 175.328 0.000 0.000 1.034 406 H CA 1.167 57.212 56.048 -0.005 0.000 1.278 406 H CB 0.379 30.134 29.762 -0.011 0.000 1.386 406 H HN 0.204 nan 8.280 nan 0.000 0.567 407 K N 0.404 120.815 120.400 0.019 0.000 2.116 407 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 407 K C 2.166 178.732 176.600 -0.056 0.000 1.052 407 K CA 1.207 57.483 56.287 -0.018 0.000 0.952 407 K CB 0.185 32.690 32.500 0.009 0.000 0.729 407 K HN 0.357 nan 8.250 nan 0.000 0.446 408 R N 1.577 122.050 120.500 -0.044 0.000 2.362 408 R HA 0.073 4.413 4.340 -0.001 0.000 0.227 408 R C 0.217 176.482 176.300 -0.058 0.000 0.905 408 R CA -0.272 55.800 56.100 -0.047 0.000 1.067 408 R CB -0.161 30.120 30.300 -0.031 0.000 1.078 408 R HN -0.007 nan 8.270 nan 0.000 0.516 409 R N 1.517 121.971 120.500 -0.076 0.000 2.442 409 R HA 0.225 4.564 4.340 -0.001 0.000 0.291 409 R C -0.612 175.641 176.300 -0.077 0.000 1.069 409 R CA -0.457 55.604 56.100 -0.065 0.000 1.022 409 R CB 0.437 30.706 30.300 -0.052 0.000 0.976 409 R HN 0.090 nan 8.270 nan 0.000 0.443 410 I N 2.592 123.127 120.570 -0.059 0.000 2.379 410 I HA 0.076 4.246 4.170 -0.001 0.000 0.290 410 I C 0.475 176.562 176.117 -0.050 0.000 1.063 410 I CA -0.058 61.208 61.300 -0.057 0.000 1.351 410 I CB 1.186 39.150 38.000 -0.060 0.000 1.410 410 I HN 0.677 nan 8.210 nan 0.000 0.505 411 S N 4.504 120.175 115.700 -0.049 0.000 2.565 411 S HA 0.697 5.167 4.470 -0.001 0.000 0.290 411 S C 0.716 175.302 174.600 -0.023 0.000 1.150 411 S CA -0.100 58.079 58.200 -0.036 0.000 1.058 411 S CB 1.787 64.960 63.200 -0.045 0.000 1.032 411 S HN 0.702 nan 8.310 nan 0.000 0.510 412 A N 4.500 127.313 122.820 -0.012 0.000 1.862 412 A HA 0.370 4.690 4.320 -0.001 0.000 0.211 412 A C 0.838 178.425 177.584 0.005 0.000 1.220 412 A CA 0.167 52.205 52.037 0.001 0.000 0.616 412 A CB -1.022 17.983 19.000 0.008 0.000 0.878 412 A HN 0.769 nan 8.150 nan 0.000 0.453 413 L N -0.448 120.778 121.223 0.004 0.000 2.529 413 L HA 0.314 4.653 4.340 -0.001 0.000 0.287 413 L C 1.071 177.940 176.870 -0.002 0.000 1.241 413 L CA 0.808 55.651 54.840 0.006 0.000 0.857 413 L CB 0.329 42.392 42.059 0.006 0.000 1.113 413 L HN 0.660 nan 8.230 nan 0.000 0.504 414 G N 1.590 110.392 108.800 0.003 0.000 2.600 414 G HA2 0.034 3.993 3.960 -0.001 0.000 0.103 414 G HA3 0.034 3.993 3.960 -0.001 0.000 0.103 414 G C -2.361 172.546 174.900 0.012 0.000 1.090 414 G CA -0.144 44.958 45.100 0.003 0.000 1.090 414 G HN 0.352 nan 8.290 nan 0.000 0.500 415 P HA -0.039 nan 4.420 nan 0.000 0.219 415 P C 1.592 178.899 177.300 0.011 0.000 1.149 415 P CA 3.495 66.598 63.100 0.005 0.000 0.835 415 P CB -0.111 31.569 31.700 -0.033 0.000 0.778 416 G N -2.794 106.015 108.800 0.015 0.000 2.299 416 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.237 416 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.237 416 G C 1.391 176.320 174.900 0.048 0.000 1.027 416 G CA 0.316 45.434 45.100 0.028 0.000 0.619 416 G HN 0.533 nan 8.290 nan 0.000 0.513 417 G N 0.450 109.276 108.800 0.043 0.000 2.432 417 G HA2 0.174 4.133 3.960 -0.001 0.000 0.219 417 G HA3 0.174 4.133 3.960 -0.001 0.000 0.219 417 G C 1.604 176.571 174.900 0.112 0.000 1.135 417 G CA 1.734 46.883 45.100 0.083 0.000 0.767 417 G HN 0.595 nan 8.290 nan 0.000 0.550 418 L N 0.654 121.913 121.223 0.061 0.000 2.038 418 L HA 0.257 4.596 4.340 -0.001 0.000 0.205 418 L C 1.551 178.481 176.870 0.100 0.000 1.151 418 L CA 1.664 56.557 54.840 0.089 0.000 0.799 418 L CB -0.996 41.087 42.059 0.041 0.000 0.926 418 L HN 0.207 nan 8.230 nan 0.000 0.457 419 T N -1.837 112.757 114.554 0.067 0.000 2.848 419 T HA 0.657 5.007 4.350 -0.001 0.000 0.285 419 T C -0.199 174.529 174.700 0.047 0.000 0.995 419 T CA -0.831 61.306 62.100 0.062 0.000 0.970 419 T CB 2.284 71.181 68.868 0.048 0.000 0.976 419 T HN 0.042 nan 8.240 nan 0.000 0.441 420 R N 0.720 121.249 120.500 0.049 0.000 2.606 420 R HA 0.432 4.772 4.340 -0.001 0.000 0.249 420 R C 1.212 177.532 176.300 0.035 0.000 1.127 420 R CA -0.732 55.391 56.100 0.038 0.000 1.133 420 R CB 0.706 31.027 30.300 0.036 0.000 1.243 420 R HN 0.837 nan 8.270 nan 0.000 0.558 421 E N 0.656 120.874 120.200 0.030 0.000 2.112 421 E HA -0.060 4.290 4.350 -0.001 0.000 0.190 421 E C 0.910 177.532 176.600 0.038 0.000 0.979 421 E CA 1.482 57.900 56.400 0.030 0.000 0.814 421 E CB 0.326 30.041 29.700 0.026 0.000 0.762 421 E HN 0.306 nan 8.360 nan 0.000 0.460 422 R N -0.373 120.151 120.500 0.040 0.000 2.427 422 R HA 0.415 4.755 4.340 -0.001 0.000 0.262 422 R C -0.585 175.752 176.300 0.060 0.000 0.943 422 R CA 0.281 56.411 56.100 0.049 0.000 1.081 422 R CB 0.991 31.317 30.300 0.043 0.000 1.166 422 R HN 0.010 nan 8.270 nan 0.000 0.534 423 A N -0.040 122.814 122.820 0.058 0.000 2.249 423 A HA 0.600 4.920 4.320 -0.001 0.000 0.314 423 A C 0.668 178.296 177.584 0.073 0.000 1.290 423 A CA -0.224 51.855 52.037 0.068 0.000 0.893 423 A CB 1.007 20.044 19.000 0.061 0.000 1.165 423 A HN 0.326 nan 8.150 nan 0.000 0.530 424 G N 0.576 109.434 108.800 0.096 0.000 4.474 424 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.202 424 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.202 424 G C 0.740 175.681 174.900 0.069 0.000 0.708 424 G CA 0.302 45.444 45.100 0.069 0.000 0.806 424 G HN 0.520 nan 8.290 nan 0.000 0.508 425 F N 3.017 122.987 119.950 0.032 0.000 2.236 425 F HA -0.098 4.429 4.527 -0.001 0.000 0.302 425 F C 2.483 178.302 175.800 0.031 0.000 1.073 425 F CA 2.413 60.432 58.000 0.031 0.000 1.336 425 F CB 0.404 39.421 39.000 0.028 0.000 1.040 425 F HN 0.334 nan 8.300 nan 0.000 0.507 426 D N -1.204 119.288 120.400 0.152 0.000 2.216 426 D HA -0.085 4.554 4.640 -0.001 0.000 0.208 426 D C 2.057 178.364 176.300 0.011 0.000 0.960 426 D CA 1.148 55.201 54.000 0.089 0.000 0.861 426 D CB -0.868 39.982 40.800 0.083 0.000 0.985 426 D HN 0.259 nan 8.370 nan 0.000 0.493 427 V N 1.136 121.057 119.914 0.012 0.000 2.453 427 V HA -0.099 4.020 4.120 -0.001 0.000 0.247 427 V C 2.685 178.787 176.094 0.013 0.000 1.048 427 V CA 1.193 63.502 62.300 0.016 0.000 1.049 427 V CB -0.576 31.261 31.823 0.024 0.000 0.672 427 V HN 0.103 nan 8.190 nan 0.000 0.457 428 R N 0.277 120.744 120.500 -0.054 0.000 2.152 428 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 428 R C 0.329 176.567 176.300 -0.103 0.000 1.117 428 R CA 0.649 56.692 56.100 -0.095 0.000 0.981 428 R CB -0.325 29.854 30.300 -0.202 0.000 0.870 428 R HN 0.544 nan 8.270 nan 0.000 0.451 429 D N 0.544 120.861 120.400 -0.137 0.000 2.382 429 D HA -0.027 4.613 4.640 -0.001 0.000 0.240 429 D C -0.274 175.986 176.300 -0.067 0.000 1.146 429 D CA 0.031 53.962 54.000 -0.115 0.000 0.897 429 D CB 1.275 42.024 40.800 -0.084 0.000 1.197 429 D HN -0.195 nan 8.370 nan 0.000 0.432 430 V N 3.145 122.988 119.914 -0.119 0.000 2.352 430 V HA 0.004 4.124 4.120 -0.001 0.000 0.253 430 V C -0.112 175.615 176.094 -0.612 0.000 1.083 430 V CA -0.200 61.901 62.300 -0.331 0.000 0.993 430 V CB -0.439 31.344 31.823 -0.067 0.000 1.111 430 V HN 0.442 nan 8.190 nan 0.000 0.490 431 H N 6.588 124.913 119.070 -1.241 0.000 2.757 431 H HA 0.310 4.865 4.556 -0.001 0.000 0.370 431 H C 1.482 176.548 175.328 -0.438 0.000 1.172 431 H CA 0.087 55.772 56.048 -0.604 0.000 1.426 431 H CB 0.932 30.515 29.762 -0.298 0.000 1.438 431 H HN 0.650 nan 8.280 nan 0.000 0.612 432 R N 1.547 121.568 120.500 -0.798 0.000 2.115 432 R HA -0.155 4.184 4.340 -0.001 0.000 0.239 432 R C 1.824 177.976 176.300 -0.247 0.000 1.133 432 R CA 2.150 57.942 56.100 -0.513 0.000 0.935 432 R CB -1.742 28.196 30.300 -0.604 0.000 0.853 432 R HN 0.758 nan 8.270 nan 0.000 0.433 433 T N 0.432 114.844 114.554 -0.236 0.000 2.918 433 T HA -0.133 4.217 4.350 -0.001 0.000 0.271 433 T C 1.499 176.324 174.700 0.208 0.000 1.104 433 T CA 1.206 63.317 62.100 0.018 0.000 1.114 433 T CB -0.605 68.275 68.868 0.018 0.000 0.855 433 T HN 0.516 nan 8.240 nan 0.000 0.518 434 H N -0.583 118.518 119.070 0.052 0.000 2.566 434 H HA -0.014 4.541 4.556 -0.001 0.000 0.285 434 H C 0.330 175.712 175.328 0.090 0.000 1.041 434 H CA -0.191 55.898 56.048 0.068 0.000 1.207 434 H CB -0.202 29.588 29.762 0.047 0.000 1.353 434 H HN 0.325 nan 8.280 nan 0.000 0.604 435 Y N 1.564 121.907 120.300 0.072 0.000 2.632 435 Y HA 0.032 4.582 4.550 -0.001 0.000 0.329 435 Y C 1.485 177.387 175.900 0.004 0.000 1.174 435 Y CA 0.513 58.623 58.100 0.018 0.000 1.469 435 Y CB -0.012 38.472 38.460 0.040 0.000 1.242 435 Y HN 0.378 nan 8.280 nan 0.000 0.540 436 G N 5.003 113.569 108.800 -0.389 0.000 2.216 436 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.269 436 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.269 436 G C 1.415 176.224 174.900 -0.152 0.000 0.981 436 G CA 1.194 46.075 45.100 -0.366 0.000 0.658 436 G HN 0.678 nan 8.290 nan 0.000 0.539 437 R N -0.841 119.616 120.500 -0.072 0.000 2.167 437 R HA 0.543 4.882 4.340 -0.001 0.000 0.201 437 R C 0.887 177.159 176.300 -0.047 0.000 1.024 437 R CA 0.796 56.876 56.100 -0.033 0.000 1.053 437 R CB 0.554 30.864 30.300 0.017 0.000 0.987 437 R HN 0.444 nan 8.270 nan 0.000 0.493 438 I N 0.151 120.694 120.570 -0.046 0.000 2.571 438 I HA 0.139 4.308 4.170 -0.001 0.000 0.289 438 I C -0.621 175.488 176.117 -0.014 0.000 1.115 438 I CA -1.102 60.155 61.300 -0.071 0.000 1.045 438 I CB 2.302 40.167 38.000 -0.225 0.000 1.238 438 I HN 0.117 nan 8.210 nan 0.000 0.424 439 C N 8.680 127.982 119.300 0.003 0.000 2.611 439 C HA 0.165 4.625 4.460 -0.001 0.000 0.416 439 C C -0.902 174.124 174.990 0.060 0.000 1.366 439 C CA -0.562 58.478 59.018 0.036 0.000 1.761 439 C CB 0.167 27.959 27.740 0.087 0.000 2.619 439 C HN 0.676 nan 8.230 nan 0.000 0.606 440 P HA 0.082 nan 4.420 nan 0.000 0.261 440 P C 0.812 178.178 177.300 0.109 0.000 1.268 440 P CA 0.631 63.787 63.100 0.093 0.000 0.833 440 P CB 0.237 31.969 31.700 0.053 0.000 1.231 441 V N -0.190 119.805 119.914 0.134 0.000 3.013 441 V HA 0.066 4.186 4.120 -0.001 0.000 0.238 441 V C 2.216 178.372 176.094 0.104 0.000 1.161 441 V CA 0.666 63.051 62.300 0.142 0.000 1.170 441 V CB -0.851 31.098 31.823 0.210 0.000 0.917 441 V HN 0.032 nan 8.190 nan 0.000 0.478 442 E N 0.865 121.123 120.200 0.098 0.000 2.516 442 E HA -0.129 4.220 4.350 -0.001 0.000 0.206 442 E C 0.852 177.484 176.600 0.053 0.000 1.107 442 E CA 0.426 56.869 56.400 0.071 0.000 0.903 442 E CB -0.301 29.437 29.700 0.062 0.000 0.838 442 E HN 0.477 nan 8.360 nan 0.000 0.574 443 T N 1.156 115.741 114.554 0.052 0.000 2.904 443 T HA 0.246 4.596 4.350 -0.001 0.000 0.290 443 T C -2.476 172.246 174.700 0.037 0.000 1.018 443 T CA -1.890 60.233 62.100 0.039 0.000 1.075 443 T CB 0.941 69.830 68.868 0.035 0.000 0.986 443 T HN -0.030 nan 8.240 nan 0.000 0.523 444 P HA 0.246 nan 4.420 nan 0.000 0.276 444 P C -0.671 176.645 177.300 0.028 0.000 1.244 444 P CA -0.488 62.631 63.100 0.031 0.000 0.801 444 P CB 0.478 32.196 31.700 0.030 0.000 1.006 445 E N 1.569 121.786 120.200 0.028 0.000 2.089 445 E HA 0.529 4.879 4.350 -0.001 0.000 0.284 445 E C 0.259 176.873 176.600 0.023 0.000 1.023 445 E CA 0.279 56.695 56.400 0.026 0.000 0.819 445 E CB 0.087 29.803 29.700 0.026 0.000 1.076 445 E HN 0.690 nan 8.360 nan 0.000 0.396 446 G N 1.831 110.645 108.800 0.023 0.000 2.326 446 G HA2 0.129 4.089 3.960 -0.001 0.000 0.413 446 G HA3 0.129 4.089 3.960 -0.001 0.000 0.413 446 G C 0.635 175.549 174.900 0.024 0.000 1.444 446 G CA -0.012 45.102 45.100 0.022 0.000 1.002 446 G HN 0.420 nan 8.290 nan 0.000 0.649 447 A N 0.195 123.030 122.820 0.025 0.000 1.935 447 A HA -0.225 4.095 4.320 -0.001 0.000 0.224 447 A C 1.440 179.040 177.584 0.026 0.000 1.324 447 A CA 2.289 54.343 52.037 0.028 0.000 0.686 447 A CB -0.506 18.509 19.000 0.026 0.000 0.837 447 A HN 0.873 nan 8.150 nan 0.000 0.481 448 N N 0.288 119.001 118.700 0.022 0.000 2.807 448 N HA 0.372 5.112 4.740 -0.001 0.000 0.259 448 N C -0.951 174.569 175.510 0.017 0.000 1.149 448 N CA 0.195 53.257 53.050 0.020 0.000 1.042 448 N CB 0.243 38.742 38.487 0.020 0.000 1.367 448 N HN 0.610 nan 8.380 nan 0.000 0.516 449 I N -1.013 119.564 120.570 0.011 0.000 2.740 449 I HA 0.402 4.571 4.170 -0.001 0.000 0.303 449 I C 1.168 177.279 176.117 -0.009 0.000 1.044 449 I CA -0.138 61.165 61.300 0.005 0.000 1.064 449 I CB 1.491 39.493 38.000 0.003 0.000 1.249 449 I HN 0.542 nan 8.210 nan 0.000 0.433 450 G N 5.177 113.974 108.800 -0.004 0.000 2.228 450 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.270 450 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.270 450 G C 0.649 175.550 174.900 0.003 0.000 0.976 450 G CA 0.968 46.065 45.100 -0.005 0.000 0.636 450 G HN 0.577 nan 8.290 nan 0.000 0.542 451 L N 0.292 121.516 121.223 0.001 0.000 2.249 451 L HA 0.364 4.703 4.340 -0.001 0.000 0.207 451 L C 1.494 178.363 176.870 -0.001 0.000 1.090 451 L CA 0.768 55.610 54.840 0.003 0.000 0.802 451 L CB -0.169 41.894 42.059 0.007 0.000 0.947 451 L HN 0.484 nan 8.230 nan 0.000 0.453 452 I N -2.293 118.278 120.570 0.001 0.000 2.465 452 I HA 0.612 4.781 4.170 -0.001 0.000 0.291 452 I C -0.466 175.649 176.117 -0.004 0.000 1.014 452 I CA -0.406 60.890 61.300 -0.006 0.000 1.093 452 I CB 1.957 39.957 38.000 0.000 0.000 1.267 452 I HN -0.217 nan 8.210 nan 0.000 0.431 453 T N 2.568 117.112 114.554 -0.016 0.000 3.193 453 T HA 0.391 4.741 4.350 -0.001 0.000 0.332 453 T C -0.466 174.222 174.700 -0.020 0.000 1.208 453 T CA -0.388 61.706 62.100 -0.010 0.000 1.080 453 T CB 1.593 70.451 68.868 -0.017 0.000 1.180 453 T HN 0.693 nan 8.240 nan 0.000 0.469 454 S N 3.617 119.315 115.700 -0.004 0.000 2.585 454 S HA 0.521 4.991 4.470 -0.001 0.000 0.273 454 S C 0.766 175.361 174.600 -0.008 0.000 1.339 454 S CA -0.795 57.400 58.200 -0.008 0.000 1.028 454 S CB 0.205 63.411 63.200 0.010 0.000 0.906 454 S HN 0.883 nan 8.310 nan 0.000 0.528 455 L N 0.878 122.090 121.223 -0.018 0.000 2.482 455 L HA 0.796 5.135 4.340 -0.001 0.000 0.242 455 L C 0.467 177.340 176.870 0.006 0.000 1.210 455 L CA -0.673 54.155 54.840 -0.020 0.000 0.819 455 L CB -0.308 41.731 42.059 -0.033 0.000 1.203 455 L HN 0.621 nan 8.230 nan 0.000 0.495 456 A N -0.273 122.551 122.820 0.007 0.000 2.240 456 A HA 0.723 5.043 4.320 -0.001 0.000 0.292 456 A C 1.374 178.995 177.584 0.062 0.000 1.121 456 A CA -0.062 51.999 52.037 0.040 0.000 0.851 456 A CB -0.104 18.902 19.000 0.010 0.000 1.167 456 A HN 1.217 nan 8.150 nan 0.000 0.503 457 A N -0.679 122.219 122.820 0.130 0.000 1.862 457 A HA -0.129 4.190 4.320 -0.001 0.000 0.214 457 A C 1.575 179.238 177.584 0.132 0.000 1.228 457 A CA 2.271 54.418 52.037 0.182 0.000 0.665 457 A CB -1.270 17.977 19.000 0.411 0.000 0.845 457 A HN 0.878 nan 8.150 nan 0.000 0.459 458 Y N -0.001 120.311 120.300 0.021 0.000 2.490 458 Y HA 0.498 5.048 4.550 -0.001 0.000 0.281 458 Y C 1.556 177.463 175.900 0.013 0.000 1.174 458 Y CA -0.611 57.525 58.100 0.061 0.000 1.295 458 Y CB -1.050 37.504 38.460 0.156 0.000 1.062 458 Y HN 0.373 nan 8.280 nan 0.000 0.522 459 A N 2.139 125.023 122.820 0.108 0.000 2.580 459 A HA 0.242 4.562 4.320 -0.001 0.000 0.244 459 A C 0.487 178.016 177.584 -0.091 0.000 1.045 459 A CA 0.033 52.071 52.037 0.002 0.000 0.761 459 A CB -0.389 18.601 19.000 -0.016 0.000 0.962 459 A HN 0.538 nan 8.150 nan 0.000 0.512 460 R N 0.978 121.375 120.500 -0.171 0.000 2.564 460 R HA 0.561 4.900 4.340 -0.001 0.000 0.284 460 R C -1.565 174.639 176.300 -0.159 0.000 1.031 460 R CA -0.814 55.148 56.100 -0.229 0.000 0.904 460 R CB 0.836 30.864 30.300 -0.452 0.000 1.199 460 R HN 0.274 nan 8.270 nan 0.000 0.443 461 V N 4.174 124.020 119.914 -0.112 0.000 2.446 461 V HA 0.003 4.122 4.120 -0.001 0.000 0.276 461 V C 0.699 176.750 176.094 -0.071 0.000 1.030 461 V CA -0.038 62.217 62.300 -0.075 0.000 1.033 461 V CB -0.075 31.707 31.823 -0.068 0.000 0.993 461 V HN 1.011 nan 8.190 nan 0.000 0.477 462 D N 4.173 124.551 120.400 -0.036 0.000 1.992 462 D HA -0.061 4.579 4.640 -0.001 0.000 0.280 462 D C 1.266 177.558 176.300 -0.013 0.000 1.060 462 D CA 0.646 54.633 54.000 -0.023 0.000 0.877 462 D CB 0.292 41.103 40.800 0.018 0.000 1.010 462 D HN 0.439 nan 8.370 nan 0.000 0.385 463 E N -1.018 119.187 120.200 0.008 0.000 2.175 463 E HA 0.185 4.534 4.350 -0.001 0.000 0.195 463 E C 0.103 176.694 176.600 -0.016 0.000 0.934 463 E CA -0.122 56.278 56.400 -0.000 0.000 0.870 463 E CB 0.539 30.246 29.700 0.010 0.000 0.838 463 E HN 0.137 nan 8.360 nan 0.000 0.474 464 L N 0.354 121.572 121.223 -0.008 0.000 2.343 464 L HA 0.385 4.724 4.340 -0.001 0.000 0.278 464 L C 0.409 177.154 176.870 -0.209 0.000 0.996 464 L CA -0.164 54.626 54.840 -0.083 0.000 0.831 464 L CB 1.656 43.667 42.059 -0.079 0.000 1.232 464 L HN 0.185 nan 8.230 nan 0.000 0.413 465 G N 3.686 112.324 108.800 -0.270 0.000 2.228 465 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.291 465 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.291 465 G C -0.156 174.401 174.900 -0.571 0.000 0.727 465 G CA 0.630 45.510 45.100 -0.366 0.000 0.835 465 G HN 0.301 nan 8.290 nan 0.000 0.470 466 F N -0.312 119.581 119.950 -0.096 0.000 2.403 466 F HA 0.426 4.953 4.527 -0.001 0.000 0.355 466 F C 0.827 176.595 175.800 -0.053 0.000 1.119 466 F CA -1.692 56.261 58.000 -0.077 0.000 1.007 466 F CB 1.176 40.118 39.000 -0.097 0.000 1.194 466 F HN 0.047 nan 8.300 nan 0.000 0.443 467 I N 4.833 125.472 120.570 0.116 0.000 2.578 467 I HA 0.179 4.349 4.170 -0.001 0.000 0.286 467 I C 0.216 176.382 176.117 0.082 0.000 1.126 467 I CA 0.039 61.371 61.300 0.055 0.000 1.380 467 I CB -0.153 37.858 38.000 0.018 0.000 1.408 467 I HN 0.496 nan 8.210 nan 0.000 0.532 468 R N 3.921 124.452 120.500 0.051 0.000 2.643 468 R HA 0.707 5.046 4.340 -0.001 0.000 0.272 468 R C -0.208 176.107 176.300 0.026 0.000 0.995 468 R CA -0.807 55.323 56.100 0.051 0.000 1.032 468 R CB 1.757 32.108 30.300 0.085 0.000 1.126 468 R HN 0.503 nan 8.270 nan 0.000 0.505 469 T N 1.980 116.483 114.554 -0.085 0.000 2.900 469 T HA 0.430 4.780 4.350 -0.001 0.000 0.295 469 T C -2.639 171.827 174.700 -0.391 0.000 1.044 469 T CA -2.240 59.743 62.100 -0.196 0.000 0.995 469 T CB 1.723 70.314 68.868 -0.462 0.000 1.072 469 T HN 0.390 nan 8.240 nan 0.000 0.473 470 P HA 0.259 nan 4.420 nan 0.000 0.276 470 P C -1.539 175.430 177.300 -0.552 0.000 1.230 470 P CA -0.082 62.628 63.100 -0.650 0.000 0.776 470 P CB 0.323 31.640 31.700 -0.638 0.000 0.888 471 Y N 1.734 121.855 120.300 -0.299 0.000 2.396 471 Y HA 0.331 4.881 4.550 -0.001 0.000 0.332 471 Y C 0.814 176.672 175.900 -0.071 0.000 1.034 471 Y CA -1.246 56.746 58.100 -0.179 0.000 1.057 471 Y CB 2.518 40.820 38.460 -0.263 0.000 1.220 471 Y HN 0.263 nan 8.280 nan 0.000 0.440 472 R N 1.424 122.037 120.500 0.187 0.000 2.457 472 R HA 0.592 4.931 4.340 -0.001 0.000 0.284 472 R C -0.470 175.992 176.300 0.270 0.000 1.024 472 R CA -1.127 55.067 56.100 0.157 0.000 1.025 472 R CB 1.089 31.419 30.300 0.051 0.000 1.063 472 R HN 0.504 nan 8.270 nan 0.000 0.493 473 R N 1.235 121.833 120.500 0.163 0.000 2.594 473 R HA 0.238 4.577 4.340 -0.001 0.000 0.272 473 R C -0.913 175.236 176.300 -0.252 0.000 1.074 473 R CA -0.269 55.705 56.100 -0.211 0.000 1.105 473 R CB 1.103 31.337 30.300 -0.110 0.000 1.008 473 R HN 0.536 nan 8.270 nan 0.000 0.472 474 V N 6.105 125.762 119.914 -0.427 0.000 2.516 474 V HA 0.339 4.458 4.120 -0.001 0.000 0.271 474 V C -1.385 174.556 176.094 -0.254 0.000 0.992 474 V CA -0.709 61.443 62.300 -0.247 0.000 0.857 474 V CB 1.661 33.387 31.823 -0.161 0.000 1.047 474 V HN 0.620 nan 8.190 nan 0.000 0.455 475 V N 7.455 127.254 119.914 -0.191 0.000 2.427 475 V HA 0.783 4.903 4.120 -0.001 0.000 0.268 475 V C 1.372 177.410 176.094 -0.094 0.000 1.046 475 V CA 0.922 63.136 62.300 -0.144 0.000 0.970 475 V CB -0.028 31.730 31.823 -0.107 0.000 1.001 475 V HN 1.600 nan 8.190 nan 0.000 0.476 476 G N 4.728 113.479 108.800 -0.081 0.000 2.645 476 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.246 476 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.246 476 G C 0.680 175.547 174.900 -0.055 0.000 1.322 476 G CA -0.228 44.839 45.100 -0.055 0.000 0.898 476 G HN 1.505 nan 8.290 nan 0.000 0.573 477 G N -0.988 107.789 108.800 -0.040 0.000 3.318 477 G HA2 0.450 4.410 3.960 -0.001 0.000 0.230 477 G HA3 0.450 4.410 3.960 -0.001 0.000 0.230 477 G C 0.154 175.032 174.900 -0.037 0.000 1.317 477 G CA 0.953 46.032 45.100 -0.035 0.000 1.197 477 G HN 1.237 nan 8.290 nan 0.000 0.514 478 V N 0.819 120.704 119.914 -0.048 0.000 2.378 478 V HA 0.241 4.361 4.120 -0.001 0.000 0.288 478 V C -0.044 176.014 176.094 -0.059 0.000 1.016 478 V CA -0.755 61.518 62.300 -0.045 0.000 0.840 478 V CB 1.904 33.702 31.823 -0.042 0.000 0.994 478 V HN -0.019 nan 8.190 nan 0.000 0.431 479 V N 5.188 125.075 119.914 -0.045 0.000 2.498 479 V HA 0.384 4.504 4.120 -0.001 0.000 0.279 479 V C 0.640 176.712 176.094 -0.036 0.000 1.048 479 V CA 0.134 62.407 62.300 -0.044 0.000 0.967 479 V CB 1.793 33.602 31.823 -0.024 0.000 0.988 479 V HN 0.987 nan 8.190 nan 0.000 0.473 480 T N 2.988 117.518 114.554 -0.040 0.000 2.948 480 T HA 0.330 4.679 4.350 -0.001 0.000 0.285 480 T C 0.227 174.921 174.700 -0.010 0.000 1.019 480 T CA -0.583 61.502 62.100 -0.026 0.000 1.013 480 T CB 1.250 70.099 68.868 -0.033 0.000 1.117 480 T HN 0.649 nan 8.240 nan 0.000 0.533 481 D N 0.718 121.116 120.400 -0.004 0.000 2.358 481 D HA 0.088 4.727 4.640 -0.001 0.000 0.224 481 D C 0.247 176.549 176.300 0.004 0.000 1.123 481 D CA 0.057 54.058 54.000 0.002 0.000 0.833 481 D CB 0.486 41.289 40.800 0.006 0.000 0.946 481 D HN 0.348 nan 8.370 nan 0.000 0.505 482 E N 1.524 121.727 120.200 0.005 0.000 2.249 482 E HA 0.284 4.634 4.350 -0.001 0.000 0.280 482 E C -0.554 176.053 176.600 0.011 0.000 1.016 482 E CA -0.557 55.850 56.400 0.012 0.000 0.830 482 E CB 1.931 31.642 29.700 0.019 0.000 1.081 482 E HN -0.122 nan 8.360 nan 0.000 0.395 483 V N 0.954 120.855 119.914 -0.021 0.000 2.769 483 V HA 0.667 4.786 4.120 -0.001 0.000 0.312 483 V C -0.262 175.760 176.094 -0.119 0.000 1.061 483 V CA -1.028 61.216 62.300 -0.094 0.000 0.931 483 V CB 1.789 33.477 31.823 -0.225 0.000 1.010 483 V HN 0.314 nan 8.190 nan 0.000 0.433 484 V N 2.296 122.116 119.914 -0.158 0.000 2.380 484 V HA 0.400 4.519 4.120 -0.001 0.000 0.286 484 V C -0.861 175.092 176.094 -0.234 0.000 1.015 484 V CA -0.576 61.640 62.300 -0.141 0.000 0.834 484 V CB 0.620 32.382 31.823 -0.101 0.000 1.009 484 V HN 0.825 nan 8.190 nan 0.000 0.428 485 Y N 4.889 125.155 120.300 -0.058 0.000 2.730 485 Y HA 0.292 4.841 4.550 -0.001 0.000 0.354 485 Y C 0.812 176.656 175.900 -0.094 0.000 1.139 485 Y CA 0.367 58.411 58.100 -0.094 0.000 1.516 485 Y CB 0.238 38.668 38.460 -0.050 0.000 1.204 485 Y HN 0.539 nan 8.280 nan 0.000 0.520 486 M N 2.233 121.819 119.600 -0.024 0.000 2.318 486 M HA 0.236 4.716 4.480 -0.001 0.000 0.347 486 M C 0.358 176.681 176.300 0.038 0.000 1.175 486 M CA -0.495 54.801 55.300 -0.007 0.000 1.075 486 M CB 1.234 33.828 32.600 -0.011 0.000 1.614 486 M HN 0.463 nan 8.290 nan 0.000 0.456 487 T N 1.652 116.239 114.554 0.055 0.000 2.900 487 T HA 0.118 4.468 4.350 -0.001 0.000 0.307 487 T C 1.257 176.017 174.700 0.101 0.000 1.065 487 T CA 0.138 62.269 62.100 0.052 0.000 1.105 487 T CB 1.144 69.999 68.868 -0.021 0.000 0.979 487 T HN 0.806 nan 8.240 nan 0.000 0.544 488 A N 2.156 125.052 122.820 0.127 0.000 1.940 488 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 488 A C 2.459 180.192 177.584 0.248 0.000 1.176 488 A CA 2.299 54.461 52.037 0.209 0.000 0.631 488 A CB -1.321 17.846 19.000 0.278 0.000 0.814 488 A HN 0.950 nan 8.150 nan 0.000 0.446 489 T N -1.613 113.039 114.554 0.163 0.000 2.732 489 T HA -0.115 4.234 4.350 -0.001 0.000 0.261 489 T C 1.628 176.407 174.700 0.132 0.000 1.040 489 T CA 1.217 63.396 62.100 0.131 0.000 1.145 489 T CB -0.585 68.286 68.868 0.006 0.000 0.866 489 T HN 0.622 nan 8.240 nan 0.000 0.427 490 E N 1.496 121.774 120.200 0.130 0.000 2.160 490 E HA -0.217 4.132 4.350 -0.001 0.000 0.195 490 E C 2.242 179.029 176.600 0.312 0.000 0.991 490 E CA 1.341 57.862 56.400 0.201 0.000 0.810 490 E CB -0.301 29.531 29.700 0.220 0.000 0.742 490 E HN 0.775 nan 8.360 nan 0.000 0.466 491 E N 1.211 121.571 120.200 0.267 0.000 2.219 491 E HA -0.242 4.107 4.350 -0.001 0.000 0.198 491 E C 1.294 178.036 176.600 0.236 0.000 0.998 491 E CA 1.291 57.861 56.400 0.284 0.000 0.818 491 E CB 0.094 29.996 29.700 0.336 0.000 0.741 491 E HN 0.122 nan 8.360 nan 0.000 0.477 492 D N 0.038 120.548 120.400 0.183 0.000 2.183 492 D HA -0.128 4.512 4.640 -0.001 0.000 0.203 492 D C 1.879 178.210 176.300 0.052 0.000 0.969 492 D CA 0.611 54.679 54.000 0.113 0.000 0.842 492 D CB -0.239 40.634 40.800 0.122 0.000 0.957 492 D HN 0.188 nan 8.370 nan 0.000 0.484 493 R N -0.567 119.931 120.500 -0.003 0.000 2.193 493 R HA -0.118 4.222 4.340 -0.001 0.000 0.229 493 R C -0.103 175.980 176.300 -0.361 0.000 1.110 493 R CA 0.771 56.725 56.100 -0.244 0.000 0.988 493 R CB 0.088 30.114 30.300 -0.456 0.000 0.871 493 R HN 0.131 nan 8.270 nan 0.000 0.458 494 Y N -1.506 118.807 120.300 0.021 0.000 2.621 494 Y HA 0.326 4.876 4.550 -0.001 0.000 0.334 494 Y C 0.018 175.920 175.900 0.004 0.000 1.074 494 Y CA -1.134 56.994 58.100 0.047 0.000 1.149 494 Y CB 1.573 40.107 38.460 0.123 0.000 1.302 494 Y HN -0.325 nan 8.280 nan 0.000 0.501 495 T N 3.534 118.213 114.554 0.208 0.000 2.832 495 T HA 0.519 4.869 4.350 -0.001 0.000 0.313 495 T C -0.544 174.199 174.700 0.072 0.000 1.035 495 T CA -0.302 61.851 62.100 0.089 0.000 0.950 495 T CB -0.797 68.103 68.868 0.053 0.000 0.984 495 T HN 0.230 nan 8.240 nan 0.000 0.486 496 I N 2.626 123.189 120.570 -0.011 0.000 2.577 496 I HA 0.758 4.927 4.170 -0.001 0.000 0.305 496 I C 0.419 176.503 176.117 -0.054 0.000 0.986 496 I CA -0.784 60.469 61.300 -0.079 0.000 1.189 496 I CB 1.394 39.211 38.000 -0.305 0.000 1.355 496 I HN 0.585 nan 8.210 nan 0.000 0.476 497 A N 3.823 126.625 122.820 -0.030 0.000 2.387 497 A HA 0.735 5.055 4.320 -0.001 0.000 0.303 497 A C -0.679 176.918 177.584 0.022 0.000 1.145 497 A CA -0.753 51.278 52.037 -0.011 0.000 0.801 497 A CB 1.108 20.104 19.000 -0.007 0.000 1.342 497 A HN 0.636 nan 8.150 nan 0.000 0.440 498 Q N -0.267 119.546 119.800 0.021 0.000 2.312 498 Q HA 0.406 4.746 4.340 -0.001 0.000 0.236 498 Q C 1.023 177.051 176.000 0.047 0.000 0.965 498 Q CA 0.220 56.050 55.803 0.045 0.000 0.894 498 Q CB 1.319 30.064 28.738 0.011 0.000 1.225 498 Q HN 0.826 nan 8.270 nan 0.000 0.478 499 A N 2.165 125.024 122.820 0.065 0.000 2.067 499 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 499 A C 1.205 178.819 177.584 0.050 0.000 1.156 499 A CA 1.031 53.103 52.037 0.057 0.000 0.683 499 A CB -0.317 18.723 19.000 0.068 0.000 0.808 499 A HN 0.759 nan 8.150 nan 0.000 0.455 500 N N 0.891 119.619 118.700 0.048 0.000 2.609 500 N HA -0.031 4.708 4.740 -0.001 0.000 0.190 500 N C 0.246 175.775 175.510 0.031 0.000 1.157 500 N CA 1.034 54.110 53.050 0.044 0.000 0.918 500 N CB -0.654 37.854 38.487 0.035 0.000 0.978 500 N HN 0.524 nan 8.380 nan 0.000 0.448 501 T N -0.231 114.337 114.554 0.024 0.000 2.793 501 T HA 0.165 4.514 4.350 -0.001 0.000 0.289 501 T C -2.440 172.270 174.700 0.017 0.000 0.956 501 T CA -1.623 60.486 62.100 0.015 0.000 1.177 501 T CB 0.471 69.345 68.868 0.009 0.000 0.897 501 T HN -0.064 nan 8.240 nan 0.000 0.533 502 P HA 0.196 nan 4.420 nan 0.000 0.260 502 P C -0.726 176.581 177.300 0.013 0.000 1.172 502 P CA 0.094 63.205 63.100 0.018 0.000 0.760 502 P CB 0.260 31.969 31.700 0.016 0.000 0.773 503 L N 3.147 124.380 121.223 0.015 0.000 2.431 503 L HA 0.244 4.584 4.340 -0.001 0.000 0.266 503 L C 1.049 177.926 176.870 0.012 0.000 0.978 503 L CA -0.246 54.600 54.840 0.011 0.000 0.822 503 L CB 2.161 44.227 42.059 0.011 0.000 1.310 503 L HN 0.334 nan 8.230 nan 0.000 0.409 504 E N 2.010 122.215 120.200 0.007 0.000 2.472 504 E HA 0.240 4.589 4.350 -0.001 0.000 0.196 504 E C 0.788 177.392 176.600 0.006 0.000 1.033 504 E CA 0.682 57.087 56.400 0.008 0.000 0.886 504 E CB 1.425 31.128 29.700 0.005 0.000 0.944 504 E HN 0.950 nan 8.360 nan 0.000 0.492 505 G N 1.539 110.341 108.800 0.004 0.000 3.400 505 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.111 505 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.111 505 G C 0.552 175.451 174.900 -0.002 0.000 2.370 505 G CA -0.263 44.838 45.100 0.003 0.000 1.153 505 G HN 0.070 nan 8.290 nan 0.000 0.329 506 N N 0.079 118.776 118.700 -0.006 0.000 2.171 506 N HA 0.320 5.059 4.740 -0.001 0.000 0.212 506 N C 0.482 175.983 175.510 -0.015 0.000 1.184 506 N CA -0.041 53.001 53.050 -0.012 0.000 0.888 506 N CB 1.105 39.583 38.487 -0.015 0.000 1.038 506 N HN 0.290 nan 8.380 nan 0.000 0.517 507 R N 1.470 121.965 120.500 -0.010 0.000 2.255 507 R HA 0.308 4.648 4.340 -0.001 0.000 0.326 507 R C -0.266 176.029 176.300 -0.008 0.000 0.986 507 R CA -0.527 55.567 56.100 -0.011 0.000 0.847 507 R CB 0.384 30.679 30.300 -0.007 0.000 1.111 507 R HN -0.077 nan 8.270 nan 0.000 0.452 508 I N 3.276 123.839 120.570 -0.012 0.000 2.872 508 I HA -0.028 4.142 4.170 -0.001 0.000 0.291 508 I C 1.075 177.189 176.117 -0.005 0.000 1.216 508 I CA 0.573 61.867 61.300 -0.009 0.000 1.424 508 I CB 0.636 38.628 38.000 -0.013 0.000 1.351 508 I HN 0.836 nan 8.210 nan 0.000 0.592 509 A N 4.317 127.137 122.820 -0.001 0.000 2.382 509 A HA 0.633 4.952 4.320 -0.001 0.000 0.228 509 A C 0.781 178.366 177.584 0.001 0.000 1.217 509 A CA 0.412 52.450 52.037 0.001 0.000 0.923 509 A CB 0.228 19.232 19.000 0.005 0.000 0.979 509 A HN 0.802 nan 8.150 nan 0.000 0.515 510 A N -0.498 122.321 122.820 -0.001 0.000 2.398 510 A HA 0.572 4.892 4.320 -0.001 0.000 0.301 510 A C 0.694 178.275 177.584 -0.004 0.000 1.041 510 A CA -0.232 51.804 52.037 -0.001 0.000 0.711 510 A CB 0.926 19.926 19.000 0.000 0.000 1.240 510 A HN 0.054 nan 8.150 nan 0.000 0.420 511 E N 1.651 121.848 120.200 -0.005 0.000 2.035 511 E HA -0.175 4.175 4.350 -0.001 0.000 0.204 511 E C 0.249 176.845 176.600 -0.008 0.000 1.025 511 E CA 1.284 57.680 56.400 -0.006 0.000 0.835 511 E CB 0.030 29.727 29.700 -0.006 0.000 0.764 511 E HN 0.648 nan 8.360 nan 0.000 0.457 512 R N 0.841 121.337 120.500 -0.007 0.000 2.891 512 R HA 0.220 4.560 4.340 -0.001 0.000 0.248 512 R C -0.586 175.708 176.300 -0.009 0.000 1.439 512 R CA -0.210 55.885 56.100 -0.008 0.000 1.288 512 R CB 0.654 30.949 30.300 -0.008 0.000 1.212 512 R HN -0.050 nan 8.270 nan 0.000 0.605 513 V N 3.085 122.993 119.914 -0.010 0.000 2.667 513 V HA 0.272 4.391 4.120 -0.001 0.000 0.308 513 V C 0.120 176.205 176.094 -0.015 0.000 1.048 513 V CA -0.859 61.435 62.300 -0.011 0.000 0.928 513 V CB 2.514 34.332 31.823 -0.008 0.000 1.004 513 V HN 0.266 nan 8.190 nan 0.000 0.444 514 V N 4.887 124.790 119.914 -0.018 0.000 2.715 514 V HA 0.682 4.801 4.120 -0.001 0.000 0.299 514 V C 0.487 176.565 176.094 -0.027 0.000 1.054 514 V CA 0.596 62.880 62.300 -0.026 0.000 1.077 514 V CB 0.900 32.704 31.823 -0.033 0.000 0.972 514 V HN 1.114 nan 8.190 nan 0.000 0.484 515 A N 5.429 128.228 122.820 -0.035 0.000 2.606 515 A HA 0.924 5.243 4.320 -0.001 0.000 0.293 515 A C -1.082 176.468 177.584 -0.058 0.000 1.082 515 A CA -0.940 51.074 52.037 -0.039 0.000 0.685 515 A CB 1.910 20.894 19.000 -0.026 0.000 1.284 515 A HN 0.601 nan 8.150 nan 0.000 0.408 516 R N 1.214 121.669 120.500 -0.074 0.000 2.467 516 R HA 0.362 4.702 4.340 -0.001 0.000 0.299 516 R C 0.323 176.576 176.300 -0.079 0.000 1.120 516 R CA -0.719 55.322 56.100 -0.098 0.000 0.940 516 R CB 1.145 31.346 30.300 -0.165 0.000 1.161 516 R HN 0.846 nan 8.270 nan 0.000 0.506 517 R N 1.904 122.373 120.500 -0.051 0.000 2.196 517 R HA -0.142 4.198 4.340 -0.001 0.000 0.227 517 R C 0.364 176.650 176.300 -0.023 0.000 1.108 517 R CA 1.803 57.887 56.100 -0.026 0.000 0.884 517 R CB 0.044 30.329 30.300 -0.024 0.000 0.839 517 R HN 0.397 nan 8.270 nan 0.000 0.431 518 K N -1.168 119.210 120.400 -0.037 0.000 2.723 518 K HA 0.201 4.521 4.320 -0.001 0.000 0.229 518 K C -0.390 176.165 176.600 -0.075 0.000 1.022 518 K CA 0.405 56.672 56.287 -0.034 0.000 1.045 518 K CB 0.875 33.372 32.500 -0.005 0.000 1.227 518 K HN 0.492 nan 8.250 nan 0.000 0.516 519 G N 2.633 111.361 108.800 -0.120 0.000 2.225 519 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.272 519 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.272 519 G C -0.386 174.433 174.900 -0.136 0.000 0.996 519 G CA 0.763 45.764 45.100 -0.164 0.000 0.710 519 G HN 0.610 nan 8.290 nan 0.000 0.522 520 E N 0.167 120.302 120.200 -0.108 0.000 2.185 520 E HA 0.314 4.664 4.350 -0.001 0.000 0.261 520 E C -2.825 173.724 176.600 -0.085 0.000 0.879 520 E CA -2.040 54.309 56.400 -0.085 0.000 0.756 520 E CB 2.169 31.834 29.700 -0.058 0.000 1.152 520 E HN 0.035 nan 8.360 nan 0.000 0.416 521 P HA 0.039 nan 4.420 nan 0.000 0.265 521 P C -0.825 176.441 177.300 -0.057 0.000 1.222 521 P CA 0.143 63.197 63.100 -0.078 0.000 0.767 521 P CB 0.501 32.158 31.700 -0.073 0.000 0.801 522 V N 5.858 125.740 119.914 -0.053 0.000 2.623 522 V HA 0.276 4.396 4.120 -0.001 0.000 0.304 522 V C 0.072 176.146 176.094 -0.033 0.000 1.054 522 V CA -0.787 61.490 62.300 -0.039 0.000 0.882 522 V CB 2.326 34.129 31.823 -0.034 0.000 1.002 522 V HN 0.473 nan 8.190 nan 0.000 0.424 523 I N 6.141 126.694 120.570 -0.027 0.000 2.311 523 I HA 0.399 4.568 4.170 -0.001 0.000 0.297 523 I C -0.286 175.820 176.117 -0.019 0.000 1.131 523 I CA 0.438 61.725 61.300 -0.022 0.000 1.289 523 I CB 0.614 38.602 38.000 -0.019 0.000 1.446 523 I HN 0.472 nan 8.210 nan 0.000 0.524 524 V N 6.589 126.492 119.914 -0.018 0.000 3.211 524 V HA 0.539 4.658 4.120 -0.001 0.000 0.319 524 V C 0.349 176.435 176.094 -0.014 0.000 1.096 524 V CA -0.155 62.136 62.300 -0.015 0.000 1.029 524 V CB 2.390 34.204 31.823 -0.014 0.000 1.137 524 V HN 0.886 nan 8.190 nan 0.000 0.453 525 S N 2.379 118.071 115.700 -0.013 0.000 2.654 525 S HA 0.504 4.974 4.470 -0.001 0.000 0.283 525 S C -2.103 172.489 174.600 -0.014 0.000 1.180 525 S CA -1.220 56.972 58.200 -0.012 0.000 1.021 525 S CB 1.264 64.457 63.200 -0.012 0.000 1.018 525 S HN 0.580 nan 8.310 nan 0.000 0.532 526 P HA -0.088 nan 4.420 nan 0.000 0.220 526 P C 0.520 177.806 177.300 -0.023 0.000 1.144 526 P CA 1.165 64.254 63.100 -0.018 0.000 0.800 526 P CB -0.066 31.624 31.700 -0.016 0.000 0.772 527 E N -0.744 119.444 120.200 -0.020 0.000 2.371 527 E HA -0.060 4.289 4.350 -0.001 0.000 0.194 527 E C 1.673 178.260 176.600 -0.021 0.000 1.012 527 E CA 0.631 57.018 56.400 -0.021 0.000 0.860 527 E CB -0.353 29.337 29.700 -0.017 0.000 0.811 527 E HN 0.388 nan 8.360 nan 0.000 0.502 528 E N 0.473 120.663 120.200 -0.017 0.000 2.364 528 E HA 0.033 4.382 4.350 -0.001 0.000 0.196 528 E C -0.068 176.527 176.600 -0.009 0.000 0.990 528 E CA 0.012 56.406 56.400 -0.011 0.000 0.886 528 E CB 0.668 30.364 29.700 -0.007 0.000 0.866 528 E HN 0.033 nan 8.360 nan 0.000 0.493 529 V N 3.166 123.069 119.914 -0.019 0.000 2.500 529 V HA -0.109 4.011 4.120 -0.001 0.000 0.267 529 V C 0.986 177.048 176.094 -0.054 0.000 0.977 529 V CA 0.891 63.176 62.300 -0.025 0.000 1.151 529 V CB -0.468 31.336 31.823 -0.032 0.000 1.013 529 V HN 0.202 nan 8.190 nan 0.000 0.467 530 E N 2.635 122.821 120.200 -0.023 0.000 2.190 530 E HA 0.177 4.527 4.350 -0.001 0.000 0.191 530 E C -0.201 176.159 176.600 -0.399 0.000 0.978 530 E CA 0.836 57.169 56.400 -0.112 0.000 0.839 530 E CB 0.319 30.102 29.700 0.140 0.000 0.787 530 E HN 0.620 nan 8.360 nan 0.000 0.473 531 F N -0.384 119.514 119.950 -0.086 0.000 2.613 531 F HA 0.448 4.975 4.527 -0.001 0.000 0.310 531 F C -0.450 175.257 175.800 -0.155 0.000 1.085 531 F CA -0.921 56.982 58.000 -0.161 0.000 0.945 531 F CB 1.935 40.747 39.000 -0.313 0.000 1.298 531 F HN -0.208 nan 8.300 nan 0.000 0.455 532 M N 1.372 121.037 119.600 0.107 0.000 2.591 532 M HA 0.487 4.967 4.480 -0.001 0.000 0.306 532 M C -1.526 174.847 176.300 0.121 0.000 1.190 532 M CA -0.541 54.794 55.300 0.059 0.000 0.889 532 M CB 1.913 34.534 32.600 0.036 0.000 1.728 532 M HN 0.603 nan 8.290 nan 0.000 0.458 533 D N 1.316 121.798 120.400 0.136 0.000 2.372 533 D HA 0.127 4.767 4.640 -0.001 0.000 0.243 533 D C 0.985 177.337 176.300 0.086 0.000 1.121 533 D CA -0.061 54.067 54.000 0.213 0.000 0.898 533 D CB 1.347 42.279 40.800 0.220 0.000 1.202 533 D HN 0.365 nan 8.370 nan 0.000 0.428 534 V N 1.020 120.933 119.914 -0.001 0.000 2.270 534 V HA -0.083 4.037 4.120 -0.001 0.000 0.245 534 V C 0.766 176.784 176.094 -0.126 0.000 1.043 534 V CA 1.753 63.972 62.300 -0.135 0.000 1.014 534 V CB -0.597 31.011 31.823 -0.358 0.000 0.645 534 V HN 0.785 nan 8.190 nan 0.000 0.447 535 S N -3.492 112.131 115.700 -0.129 0.000 2.558 535 S HA 0.386 4.856 4.470 -0.001 0.000 0.277 535 S C -2.579 172.058 174.600 0.061 0.000 1.143 535 S CA -0.870 57.307 58.200 -0.038 0.000 0.865 535 S CB 1.451 64.600 63.200 -0.084 0.000 1.102 535 S HN -0.026 nan 8.310 nan 0.000 0.454 536 P HA -0.134 nan 4.420 nan 0.000 0.217 536 P C 0.852 178.391 177.300 0.398 0.000 1.148 536 P CA 1.481 64.794 63.100 0.354 0.000 0.834 536 P CB -0.050 31.937 31.700 0.479 0.000 0.783 537 K N 0.241 120.788 120.400 0.245 0.000 2.063 537 K HA -0.216 4.104 4.320 -0.001 0.000 0.208 537 K C 2.235 179.010 176.600 0.292 0.000 1.048 537 K CA 1.609 58.051 56.287 0.258 0.000 0.928 537 K CB -0.959 31.671 32.500 0.217 0.000 0.713 537 K HN 0.386 nan 8.250 nan 0.000 0.442 538 Q N 0.755 120.631 119.800 0.127 0.000 2.308 538 Q HA -0.142 4.198 4.340 -0.001 0.000 0.209 538 Q C 1.506 177.473 176.000 -0.056 0.000 0.985 538 Q CA 1.622 57.436 55.803 0.018 0.000 0.881 538 Q CB -0.343 28.264 28.738 -0.217 0.000 0.917 538 Q HN 0.145 nan 8.270 nan 0.000 0.443 539 V N 0.064 119.979 119.914 0.001 0.000 3.141 539 V HA 0.006 4.126 4.120 -0.001 0.000 0.265 539 V C 0.442 176.293 176.094 -0.405 0.000 1.126 539 V CA 0.925 63.078 62.300 -0.245 0.000 1.141 539 V CB -0.802 30.946 31.823 -0.125 0.000 0.743 539 V HN 0.202 nan 8.190 nan 0.000 0.492 540 F N -1.001 118.991 119.950 0.070 0.000 2.691 540 F HA 0.605 5.132 4.527 -0.001 0.000 0.334 540 F C 0.639 176.470 175.800 0.052 0.000 1.107 540 F CA -1.033 57.011 58.000 0.073 0.000 0.991 540 F CB 0.960 40.007 39.000 0.078 0.000 1.400 540 F HN -0.184 nan 8.300 nan 0.000 0.503 541 S N -0.476 115.383 115.700 0.266 0.000 2.652 541 S HA 0.399 4.868 4.470 -0.001 0.000 0.270 541 S C 0.724 175.394 174.600 0.117 0.000 1.243 541 S CA -0.691 57.595 58.200 0.143 0.000 0.999 541 S CB 1.279 64.544 63.200 0.107 0.000 0.973 541 S HN 0.403 nan 8.310 nan 0.000 0.544 542 V N 1.500 121.454 119.914 0.066 0.000 2.255 542 V HA -0.217 3.902 4.120 -0.001 0.000 0.247 542 V C 2.756 178.868 176.094 0.028 0.000 1.051 542 V CA 2.436 64.757 62.300 0.036 0.000 1.018 542 V CB -1.546 30.283 31.823 0.011 0.000 0.641 542 V HN 0.982 nan 8.190 nan 0.000 0.445 543 N N 0.436 119.157 118.700 0.034 0.000 2.137 543 N HA -0.183 4.557 4.740 -0.001 0.000 0.190 543 N C 1.702 177.225 175.510 0.022 0.000 1.017 543 N CA 2.378 55.446 53.050 0.029 0.000 0.859 543 N CB -0.358 38.151 38.487 0.038 0.000 1.002 543 N HN 0.583 nan 8.380 nan 0.000 0.428 544 T N -0.503 114.075 114.554 0.040 0.000 2.937 544 T HA 0.006 4.355 4.350 -0.001 0.000 0.260 544 T C 1.583 176.234 174.700 -0.082 0.000 1.051 544 T CA 0.629 62.733 62.100 0.007 0.000 1.141 544 T CB -0.436 68.485 68.868 0.089 0.000 0.879 544 T HN 0.219 nan 8.240 nan 0.000 0.459 545 N N 1.476 120.144 118.700 -0.053 0.000 2.182 545 N HA -0.068 4.671 4.740 -0.001 0.000 0.192 545 N C 1.358 176.789 175.510 -0.131 0.000 1.007 545 N CA 0.850 53.838 53.050 -0.103 0.000 0.873 545 N CB -0.615 37.863 38.487 -0.014 0.000 0.998 545 N HN 0.408 nan 8.380 nan 0.000 0.436 546 L N -0.042 121.126 121.223 -0.092 0.000 2.622 546 L HA 0.069 4.409 4.340 -0.001 0.000 0.233 546 L C 0.157 176.947 176.870 -0.132 0.000 1.156 546 L CA 0.092 54.874 54.840 -0.096 0.000 0.866 546 L CB -0.364 41.669 42.059 -0.044 0.000 0.980 546 L HN 0.072 nan 8.230 nan 0.000 0.448 547 I N 0.422 120.890 120.570 -0.169 0.000 2.352 547 I HA 0.110 4.280 4.170 -0.001 0.000 0.290 547 I C -1.243 174.724 176.117 -0.251 0.000 1.036 547 I CA -1.837 59.342 61.300 -0.202 0.000 1.336 547 I CB 0.928 38.817 38.000 -0.184 0.000 1.407 547 I HN -0.174 nan 8.210 nan 0.000 0.497 548 P HA -0.188 nan 4.420 nan 0.000 0.203 548 P C 0.058 177.098 177.300 -0.433 0.000 1.087 548 P CA 1.646 64.501 63.100 -0.408 0.000 0.952 548 P CB 0.104 31.601 31.700 -0.339 0.000 0.758 549 F N -1.219 118.750 119.950 0.031 0.000 2.441 549 F HA 0.220 4.746 4.527 -0.001 0.000 0.337 549 F C 1.332 177.103 175.800 -0.049 0.000 1.182 549 F CA -0.540 57.463 58.000 0.004 0.000 1.279 549 F CB -0.452 38.679 39.000 0.218 0.000 1.614 549 F HN -0.141 nan 8.300 nan 0.000 0.574 550 L N 1.801 122.946 121.223 -0.129 0.000 2.353 550 L HA -0.163 4.176 4.340 -0.001 0.000 0.220 550 L C 2.292 179.024 176.870 -0.230 0.000 1.133 550 L CA 1.714 56.429 54.840 -0.209 0.000 0.798 550 L CB -0.676 41.091 42.059 -0.486 0.000 0.922 550 L HN 0.560 nan 8.230 nan 0.000 0.445 551 E N -2.215 117.771 120.200 -0.357 0.000 2.409 551 E HA -0.191 4.159 4.350 -0.001 0.000 0.198 551 E C 0.492 176.992 176.600 -0.167 0.000 1.024 551 E CA 1.109 57.389 56.400 -0.201 0.000 0.861 551 E CB -0.442 29.111 29.700 -0.245 0.000 0.788 551 E HN 0.637 nan 8.360 nan 0.000 0.521 552 H N 0.399 119.525 119.070 0.094 0.000 2.512 552 H HA 0.350 4.906 4.556 -0.001 0.000 0.276 552 H C -0.757 174.582 175.328 0.018 0.000 1.126 552 H CA -0.339 55.734 56.048 0.042 0.000 1.060 552 H CB 0.325 30.065 29.762 -0.037 0.000 1.646 552 H HN 0.102 nan 8.280 nan 0.000 0.571 553 D N 0.650 121.130 120.400 0.134 0.000 2.575 553 D HA 0.091 4.731 4.640 -0.001 0.000 0.236 553 D C -0.351 176.014 176.300 0.108 0.000 1.075 553 D CA -0.620 53.443 54.000 0.106 0.000 0.860 553 D CB 2.142 43.028 40.800 0.142 0.000 1.475 553 D HN 0.099 nan 8.370 nan 0.000 0.474 554 D N 0.354 120.806 120.400 0.087 0.000 2.390 554 D HA 0.311 4.950 4.640 -0.001 0.000 0.249 554 D C 1.035 177.391 176.300 0.095 0.000 1.144 554 D CA -0.384 53.666 54.000 0.085 0.000 0.880 554 D CB 1.304 42.141 40.800 0.061 0.000 1.182 554 D HN 0.325 nan 8.370 nan 0.000 0.451 555 A N 4.732 127.616 122.820 0.106 0.000 2.009 555 A HA -0.318 4.002 4.320 -0.001 0.000 0.222 555 A C 2.039 179.678 177.584 0.092 0.000 1.175 555 A CA 1.803 53.909 52.037 0.115 0.000 0.651 555 A CB -0.731 18.336 19.000 0.112 0.000 0.815 555 A HN 0.821 nan 8.150 nan 0.000 0.459 556 N N -0.949 117.795 118.700 0.074 0.000 2.109 556 N HA -0.127 4.613 4.740 -0.001 0.000 0.188 556 N C 1.823 177.369 175.510 0.060 0.000 1.034 556 N CA 1.212 54.299 53.050 0.061 0.000 0.846 556 N CB -0.108 38.408 38.487 0.049 0.000 1.010 556 N HN 0.296 nan 8.380 nan 0.000 0.425 557 R N 0.696 121.232 120.500 0.060 0.000 2.235 557 R HA 0.171 4.511 4.340 -0.001 0.000 0.213 557 R C 1.905 178.250 176.300 0.075 0.000 1.059 557 R CA 0.746 56.882 56.100 0.060 0.000 0.997 557 R CB -0.500 29.833 30.300 0.054 0.000 0.884 557 R HN 0.294 nan 8.270 nan 0.000 0.462 558 A N 0.315 123.187 122.820 0.086 0.000 1.929 558 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 558 A C 2.016 179.648 177.584 0.080 0.000 1.176 558 A CA 0.896 52.988 52.037 0.093 0.000 0.628 558 A CB -0.481 18.584 19.000 0.108 0.000 0.816 558 A HN 0.361 nan 8.150 nan 0.000 0.444 559 L N -0.782 120.489 121.223 0.079 0.000 2.012 559 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 559 L C 2.607 179.511 176.870 0.056 0.000 1.073 559 L CA 1.946 56.828 54.840 0.071 0.000 0.748 559 L CB -0.255 41.843 42.059 0.066 0.000 0.891 559 L HN 0.412 nan 8.230 nan 0.000 0.431 560 M N -0.563 119.067 119.600 0.051 0.000 2.202 560 M HA -0.161 4.319 4.480 -0.001 0.000 0.262 560 M C 2.028 178.351 176.300 0.039 0.000 1.063 560 M CA 1.478 56.803 55.300 0.041 0.000 1.097 560 M CB -0.981 31.641 32.600 0.038 0.000 1.382 560 M HN 0.531 nan 8.290 nan 0.000 0.413 561 G N 0.007 108.835 108.800 0.046 0.000 2.736 561 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.214 561 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.214 561 G C 1.412 176.329 174.900 0.028 0.000 1.327 561 G CA 1.052 46.174 45.100 0.036 0.000 0.818 561 G HN 0.419 nan 8.290 nan 0.000 0.611 562 S N 1.188 116.908 115.700 0.033 0.000 2.409 562 S HA -0.246 4.223 4.470 -0.001 0.000 0.237 562 S C 2.284 176.905 174.600 0.035 0.000 1.060 562 S CA 1.678 59.898 58.200 0.034 0.000 1.052 562 S CB -0.407 62.824 63.200 0.050 0.000 0.871 562 S HN 0.427 nan 8.310 nan 0.000 0.465 563 N N 1.419 120.141 118.700 0.037 0.000 2.142 563 N HA -0.037 4.702 4.740 -0.001 0.000 0.186 563 N C 1.819 177.346 175.510 0.028 0.000 1.023 563 N CA 1.504 54.575 53.050 0.035 0.000 0.852 563 N CB -0.538 37.971 38.487 0.036 0.000 0.998 563 N HN 0.696 nan 8.380 nan 0.000 0.424 564 M N 0.503 120.116 119.600 0.022 0.000 2.144 564 M HA -0.210 4.270 4.480 -0.001 0.000 0.260 564 M C 1.555 177.860 176.300 0.008 0.000 1.067 564 M CA 1.560 56.867 55.300 0.012 0.000 1.095 564 M CB -0.579 32.022 32.600 0.002 0.000 1.365 564 M HN 0.046 nan 8.290 nan 0.000 0.406 565 Q N 0.462 120.271 119.800 0.015 0.000 2.181 565 Q HA -0.115 4.225 4.340 -0.001 0.000 0.205 565 Q C 1.736 177.746 176.000 0.017 0.000 0.980 565 Q CA 1.975 57.790 55.803 0.020 0.000 0.862 565 Q CB -1.036 27.722 28.738 0.034 0.000 0.905 565 Q HN 0.623 nan 8.270 nan 0.000 0.429 566 T N 0.981 115.547 114.554 0.019 0.000 3.098 566 T HA -0.074 4.276 4.350 -0.001 0.000 0.266 566 T C 1.130 175.832 174.700 0.004 0.000 1.145 566 T CA 0.956 63.065 62.100 0.014 0.000 1.092 566 T CB 0.009 68.893 68.868 0.026 0.000 0.908 566 T HN 0.288 nan 8.240 nan 0.000 0.526 567 Q N 0.058 119.866 119.800 0.014 0.000 2.217 567 Q HA 0.456 4.796 4.340 -0.001 0.000 0.217 567 Q C 0.712 176.726 176.000 0.023 0.000 0.844 567 Q CA -0.313 55.511 55.803 0.035 0.000 0.957 567 Q CB 0.551 29.323 28.738 0.056 0.000 1.127 567 Q HN 0.440 nan 8.270 nan 0.000 0.503 568 A N 0.704 123.522 122.820 -0.004 0.000 2.546 568 A HA 0.251 4.570 4.320 -0.001 0.000 0.243 568 A C -0.272 177.300 177.584 -0.019 0.000 1.063 568 A CA 0.025 52.051 52.037 -0.018 0.000 0.757 568 A CB 0.365 19.358 19.000 -0.012 0.000 0.991 568 A HN 0.171 nan 8.150 nan 0.000 0.503 569 V N 5.087 124.993 119.914 -0.013 0.000 2.435 569 V HA 0.526 4.646 4.120 -0.001 0.000 0.290 569 V C -2.422 173.676 176.094 0.007 0.000 1.030 569 V CA -2.344 59.954 62.300 -0.004 0.000 0.881 569 V CB 1.662 33.512 31.823 0.045 0.000 0.983 569 V HN 0.785 nan 8.190 nan 0.000 0.445 570 P HA 0.197 nan 4.420 nan 0.000 0.264 570 P C -0.913 176.412 177.300 0.041 0.000 1.229 570 P CA -0.062 63.053 63.100 0.024 0.000 0.780 570 P CB 0.278 31.988 31.700 0.017 0.000 0.808 571 L N 4.380 125.627 121.223 0.041 0.000 2.350 571 L HA 0.245 4.584 4.340 -0.001 0.000 0.275 571 L C 1.832 178.723 176.870 0.036 0.000 1.099 571 L CA -0.065 54.802 54.840 0.045 0.000 0.808 571 L CB 0.513 42.604 42.059 0.054 0.000 1.149 571 L HN 0.370 nan 8.230 nan 0.000 0.442 572 I N -0.460 120.130 120.570 0.035 0.000 2.248 572 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 572 I C 0.803 176.925 176.117 0.009 0.000 1.107 572 I CA 1.276 62.598 61.300 0.036 0.000 1.373 572 I CB -0.417 37.601 38.000 0.030 0.000 1.055 572 I HN 0.447 nan 8.210 nan 0.000 0.418 573 R N 2.106 122.590 120.500 -0.027 0.000 2.215 573 R HA 0.678 5.017 4.340 -0.001 0.000 0.336 573 R C -0.848 175.410 176.300 -0.070 0.000 0.996 573 R CA -0.197 55.852 56.100 -0.085 0.000 0.847 573 R CB 1.462 31.649 30.300 -0.189 0.000 1.127 573 R HN 0.398 nan 8.270 nan 0.000 0.465 574 A N 3.854 126.652 122.820 -0.037 0.000 2.311 574 A HA 0.308 4.627 4.320 -0.001 0.000 0.306 574 A C -0.652 176.951 177.584 0.031 0.000 1.189 574 A CA -0.592 51.455 52.037 0.018 0.000 0.791 574 A CB 1.161 20.186 19.000 0.043 0.000 1.172 574 A HN 0.661 nan 8.150 nan 0.000 0.481 575 Q N 1.109 120.953 119.800 0.073 0.000 2.309 575 Q HA 0.648 4.988 4.340 -0.001 0.000 0.264 575 Q C -0.042 176.071 176.000 0.188 0.000 1.008 575 Q CA -0.628 55.236 55.803 0.101 0.000 0.853 575 Q CB 2.220 31.001 28.738 0.071 0.000 1.314 575 Q HN 0.920 nan 8.270 nan 0.000 0.448 576 A N 3.841 126.732 122.820 0.118 0.000 2.322 576 A HA 0.537 4.856 4.320 -0.001 0.000 0.269 576 A C -2.353 175.127 177.584 -0.174 0.000 1.094 576 A CA -1.312 50.719 52.037 -0.011 0.000 0.807 576 A CB -0.071 18.954 19.000 0.042 0.000 1.047 576 A HN 0.440 nan 8.150 nan 0.000 0.487 577 P HA 0.083 nan 4.420 nan 0.000 0.268 577 P C 1.191 178.387 177.300 -0.174 0.000 1.208 577 P CA 0.113 62.858 63.100 -0.592 0.000 0.777 577 P CB 0.382 31.500 31.700 -0.970 0.000 0.875 578 V N 1.208 121.133 119.914 0.017 0.000 2.759 578 V HA -0.049 4.071 4.120 -0.001 0.000 0.256 578 V C 0.788 177.008 176.094 0.210 0.000 1.080 578 V CA 1.217 63.596 62.300 0.132 0.000 1.101 578 V CB -0.569 31.397 31.823 0.238 0.000 0.698 578 V HN 0.352 nan 8.190 nan 0.000 0.477 579 V N 1.543 121.517 119.914 0.101 0.000 2.443 579 V HA 0.673 4.793 4.120 -0.001 0.000 0.293 579 V C -0.537 175.481 176.094 -0.126 0.000 1.021 579 V CA -0.652 61.699 62.300 0.085 0.000 0.848 579 V CB 1.655 33.528 31.823 0.083 0.000 0.998 579 V HN 0.467 nan 8.190 nan 0.000 0.424 580 M N 4.130 123.645 119.600 -0.143 0.000 2.849 580 M HA 0.483 4.962 4.480 -0.001 0.000 0.299 580 M C 1.229 177.396 176.300 -0.221 0.000 1.223 580 M CA -0.119 55.035 55.300 -0.242 0.000 0.856 580 M CB 2.299 34.720 32.600 -0.299 0.000 1.680 580 M HN 0.729 nan 8.290 nan 0.000 0.506 581 T N -3.742 110.679 114.554 -0.222 0.000 3.046 581 T HA 0.401 4.751 4.350 -0.001 0.000 0.242 581 T C 1.097 175.717 174.700 -0.133 0.000 1.018 581 T CA 0.707 62.686 62.100 -0.201 0.000 1.131 581 T CB 0.347 69.091 68.868 -0.207 0.000 0.904 581 T HN 0.984 nan 8.240 nan 0.000 0.459 582 G N 0.366 109.089 108.800 -0.128 0.000 2.559 582 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.202 582 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.202 582 G C 0.354 175.216 174.900 -0.064 0.000 0.992 582 G CA 0.048 45.096 45.100 -0.087 0.000 0.764 582 G HN 0.377 nan 8.290 nan 0.000 0.525 583 L N 1.739 122.919 121.223 -0.071 0.000 2.858 583 L HA 0.334 4.673 4.340 -0.001 0.000 0.251 583 L C 2.280 179.132 176.870 -0.029 0.000 1.149 583 L CA 0.776 55.592 54.840 -0.040 0.000 0.955 583 L CB 0.421 42.461 42.059 -0.032 0.000 1.289 583 L HN 0.252 nan 8.230 nan 0.000 0.542 584 E N 0.725 120.890 120.200 -0.058 0.000 2.114 584 E HA -0.292 4.057 4.350 -0.001 0.000 0.199 584 E C 1.354 178.002 176.600 0.080 0.000 1.008 584 E CA 1.918 58.307 56.400 -0.019 0.000 0.810 584 E CB -0.330 29.314 29.700 -0.094 0.000 0.739 584 E HN 0.622 nan 8.360 nan 0.000 0.456 585 E N 1.032 121.303 120.200 0.118 0.000 2.017 585 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 585 E C 2.280 178.928 176.600 0.079 0.000 0.997 585 E CA 0.771 57.286 56.400 0.193 0.000 0.804 585 E CB -0.221 29.603 29.700 0.207 0.000 0.757 585 E HN 0.032 nan 8.360 nan 0.000 0.448 586 R N 0.911 121.427 120.500 0.027 0.000 2.117 586 R HA -0.123 4.217 4.340 -0.001 0.000 0.243 586 R C 2.417 178.717 176.300 0.000 0.000 1.143 586 R CA 0.813 56.905 56.100 -0.013 0.000 0.968 586 R CB -1.057 29.224 30.300 -0.031 0.000 0.863 586 R HN 0.166 nan 8.270 nan 0.000 0.444 587 V N 1.072 120.998 119.914 0.019 0.000 2.261 587 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 587 V C 2.538 178.662 176.094 0.050 0.000 1.047 587 V CA 1.966 64.281 62.300 0.025 0.000 1.015 587 V CB -0.654 31.185 31.823 0.026 0.000 0.642 587 V HN 0.247 nan 8.190 nan 0.000 0.446 588 V N -1.161 118.803 119.914 0.083 0.000 2.913 588 V HA -0.172 3.947 4.120 -0.001 0.000 0.260 588 V C 2.300 178.508 176.094 0.191 0.000 1.098 588 V CA 2.154 64.522 62.300 0.114 0.000 1.121 588 V CB -0.839 31.064 31.823 0.133 0.000 0.714 588 V HN 0.426 nan 8.190 nan 0.000 0.487 589 R N 0.250 120.843 120.500 0.155 0.000 2.048 589 R HA 0.002 4.342 4.340 -0.001 0.000 0.224 589 R C 2.260 178.610 176.300 0.084 0.000 1.163 589 R CA 1.561 57.735 56.100 0.124 0.000 0.956 589 R CB -0.476 29.718 30.300 -0.176 0.000 0.849 589 R HN 0.470 nan 8.270 nan 0.000 0.435 590 D N 0.555 120.961 120.400 0.009 0.000 2.178 590 D HA -0.089 4.550 4.640 -0.001 0.000 0.201 590 D C 0.410 176.719 176.300 0.016 0.000 0.980 590 D CA 1.053 55.051 54.000 -0.005 0.000 0.842 590 D CB -0.099 40.679 40.800 -0.038 0.000 0.948 590 D HN 0.285 nan 8.370 nan 0.000 0.472 591 S N -0.057 115.660 115.700 0.028 0.000 2.603 591 S HA 0.215 4.684 4.470 -0.001 0.000 0.268 591 S C 0.577 175.199 174.600 0.037 0.000 1.317 591 S CA -0.617 57.597 58.200 0.022 0.000 1.012 591 S CB 1.076 64.288 63.200 0.019 0.000 0.926 591 S HN 0.117 nan 8.310 nan 0.000 0.539 592 L N 1.923 123.148 121.223 0.004 0.000 2.923 592 L HA 0.347 4.686 4.340 -0.001 0.000 0.231 592 L C 1.450 178.282 176.870 -0.064 0.000 1.300 592 L CA -0.448 54.382 54.840 -0.016 0.000 1.184 592 L CB -0.916 41.120 42.059 -0.038 0.000 1.511 592 L HN 0.938 nan 8.230 nan 0.000 0.448 593 A N 0.867 123.660 122.820 -0.045 0.000 1.832 593 A HA 0.325 4.645 4.320 -0.001 0.000 0.214 593 A C 1.426 178.909 177.584 -0.168 0.000 1.242 593 A CA 0.977 52.967 52.037 -0.079 0.000 0.603 593 A CB -0.198 18.786 19.000 -0.027 0.000 0.902 593 A HN 0.480 nan 8.150 nan 0.000 0.455 594 A N -1.195 121.488 122.820 -0.229 0.000 2.313 594 A HA 0.553 4.872 4.320 -0.001 0.000 0.261 594 A C -0.571 176.547 177.584 -0.776 0.000 1.090 594 A CA -0.208 51.557 52.037 -0.453 0.000 0.807 594 A CB 0.108 18.841 19.000 -0.445 0.000 1.055 594 A HN 0.444 nan 8.150 nan 0.000 0.492 595 L N 0.964 121.766 121.223 -0.700 0.000 2.287 595 L HA 0.459 4.799 4.340 -0.001 0.000 0.287 595 L C -0.967 175.536 176.870 -0.613 0.000 1.022 595 L CA 0.134 54.612 54.840 -0.603 0.000 0.814 595 L CB 0.519 42.378 42.059 -0.334 0.000 1.217 595 L HN 0.631 nan 8.230 nan 0.000 0.420 596 Y N 1.784 122.050 120.300 -0.057 0.000 2.453 596 Y HA 0.686 5.235 4.550 -0.001 0.000 0.326 596 Y C 0.653 176.588 175.900 0.058 0.000 1.186 596 Y CA -1.204 56.890 58.100 -0.011 0.000 1.200 596 Y CB 1.223 39.666 38.460 -0.029 0.000 1.247 596 Y HN 0.630 nan 8.280 nan 0.000 0.482 597 A N 2.008 124.988 122.820 0.267 0.000 2.404 597 A HA 0.168 4.488 4.320 -0.001 0.000 0.273 597 A C 0.832 178.519 177.584 0.171 0.000 1.144 597 A CA -0.458 51.753 52.037 0.291 0.000 0.806 597 A CB 0.052 19.161 19.000 0.182 0.000 1.080 597 A HN 1.009 nan 8.150 nan 0.000 0.509 598 E N 1.763 122.132 120.200 0.283 0.000 2.000 598 E HA -0.160 4.190 4.350 -0.001 0.000 0.199 598 E C 0.227 176.717 176.600 -0.183 0.000 1.011 598 E CA 1.432 57.903 56.400 0.119 0.000 0.836 598 E CB 0.067 29.984 29.700 0.362 0.000 0.778 598 E HN 0.851 nan 8.360 nan 0.000 0.462 599 E N 0.274 120.072 120.200 -0.671 0.000 2.316 599 E HA 0.119 4.469 4.350 -0.001 0.000 0.258 599 E C -1.135 174.962 176.600 -0.837 0.000 0.952 599 E CA -0.613 55.406 56.400 -0.635 0.000 0.818 599 E CB 1.157 30.603 29.700 -0.423 0.000 1.260 599 E HN 0.006 nan 8.360 nan 0.000 0.416 600 D N 0.206 120.358 120.400 -0.413 0.000 2.423 600 D HA 0.393 5.032 4.640 -0.001 0.000 0.238 600 D C 0.246 176.427 176.300 -0.197 0.000 1.142 600 D CA 0.521 54.368 54.000 -0.254 0.000 0.884 600 D CB 1.170 41.897 40.800 -0.122 0.000 1.199 600 D HN 0.536 nan 8.370 nan 0.000 0.438 601 G N 0.296 109.081 108.800 -0.025 0.000 2.348 601 G HA2 0.340 4.299 3.960 -0.001 0.000 0.296 601 G HA3 0.340 4.299 3.960 -0.001 0.000 0.296 601 G C -1.391 173.573 174.900 0.107 0.000 1.258 601 G CA -0.561 44.620 45.100 0.135 0.000 0.868 601 G HN 0.375 nan 8.290 nan 0.000 0.488 602 E N -1.587 118.677 120.200 0.107 0.000 2.378 602 E HA 0.685 5.034 4.350 -0.001 0.000 0.265 602 E C -0.678 175.940 176.600 0.031 0.000 0.932 602 E CA -0.521 55.910 56.400 0.051 0.000 0.795 602 E CB 2.526 32.239 29.700 0.023 0.000 1.296 602 E HN 0.410 nan 8.360 nan 0.000 0.438 603 V N 2.097 122.014 119.914 0.006 0.000 2.481 603 V HA 0.536 4.656 4.120 -0.001 0.000 0.286 603 V C 0.542 176.612 176.094 -0.039 0.000 1.042 603 V CA 0.171 62.458 62.300 -0.022 0.000 0.928 603 V CB 1.053 32.868 31.823 -0.014 0.000 0.986 603 V HN 0.894 nan 8.190 nan 0.000 0.462 604 A N 4.917 127.697 122.820 -0.066 0.000 1.982 604 A HA 0.324 4.644 4.320 -0.001 0.000 0.217 604 A C 0.761 178.312 177.584 -0.054 0.000 1.457 604 A CA 0.434 52.433 52.037 -0.063 0.000 0.654 604 A CB 0.145 19.094 19.000 -0.084 0.000 1.150 604 A HN 0.742 nan 8.150 nan 0.000 0.509 605 K N -0.162 120.199 120.400 -0.065 0.000 2.270 605 K HA 0.629 4.949 4.320 -0.001 0.000 0.255 605 K C -1.744 174.826 176.600 -0.049 0.000 0.936 605 K CA -0.592 55.664 56.287 -0.052 0.000 0.809 605 K CB 2.746 35.214 32.500 -0.053 0.000 1.131 605 K HN -0.013 nan 8.250 nan 0.000 0.427 606 V N 2.447 122.339 119.914 -0.037 0.000 2.276 606 V HA 0.104 4.224 4.120 -0.001 0.000 0.268 606 V C -0.648 175.428 176.094 -0.030 0.000 1.032 606 V CA -0.661 61.619 62.300 -0.033 0.000 0.810 606 V CB 0.697 32.504 31.823 -0.027 0.000 1.060 606 V HN 0.766 nan 8.190 nan 0.000 0.446 607 D N 2.893 123.273 120.400 -0.033 0.000 2.451 607 D HA 0.491 5.130 4.640 -0.001 0.000 0.259 607 D C 1.399 177.678 176.300 -0.036 0.000 1.201 607 D CA 0.589 54.571 54.000 -0.031 0.000 1.028 607 D CB 1.631 42.412 40.800 -0.031 0.000 1.095 607 D HN 0.429 nan 8.370 nan 0.000 0.539 608 G N -0.516 108.262 108.800 -0.036 0.000 2.985 608 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.209 608 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.209 608 G C 0.852 175.706 174.900 -0.076 0.000 1.165 608 G CA 0.030 45.100 45.100 -0.049 0.000 0.776 608 G HN 0.542 nan 8.290 nan 0.000 0.541 609 N N -0.646 118.018 118.700 -0.059 0.000 2.211 609 N HA 0.134 4.874 4.740 -0.001 0.000 0.216 609 N C 0.001 175.483 175.510 -0.046 0.000 1.240 609 N CA -0.301 52.712 53.050 -0.060 0.000 0.895 609 N CB 0.651 39.114 38.487 -0.039 0.000 1.102 609 N HN 0.310 nan 8.380 nan 0.000 0.498 610 R N 0.183 120.661 120.500 -0.038 0.000 2.604 610 R HA 0.379 4.719 4.340 -0.001 0.000 0.261 610 R C -1.720 174.563 176.300 -0.029 0.000 1.080 610 R CA -0.664 55.422 56.100 -0.023 0.000 0.917 610 R CB 0.611 30.898 30.300 -0.021 0.000 1.252 610 R HN -0.072 nan 8.270 nan 0.000 0.456 611 I N 2.451 123.011 120.570 -0.016 0.000 2.502 611 I HA 0.248 4.417 4.170 -0.001 0.000 0.276 611 I C -0.371 175.671 176.117 -0.124 0.000 1.057 611 I CA -1.251 60.024 61.300 -0.042 0.000 1.163 611 I CB 1.897 39.895 38.000 -0.002 0.000 1.288 611 I HN 0.344 nan 8.210 nan 0.000 0.479 612 V N 6.354 126.178 119.914 -0.149 0.000 2.381 612 V HA 0.106 4.226 4.120 -0.001 0.000 0.257 612 V C 0.660 176.588 176.094 -0.276 0.000 1.057 612 V CA -0.591 61.564 62.300 -0.242 0.000 1.013 612 V CB 0.456 32.177 31.823 -0.170 0.000 1.069 612 V HN 0.525 nan 8.190 nan 0.000 0.484 613 V N 2.871 122.518 119.914 -0.445 0.000 2.644 613 V HA 0.598 4.718 4.120 -0.001 0.000 0.295 613 V C 0.175 176.018 176.094 -0.418 0.000 1.053 613 V CA -0.962 61.119 62.300 -0.364 0.000 0.987 613 V CB 1.375 32.991 31.823 -0.345 0.000 1.006 613 V HN 0.857 nan 8.190 nan 0.000 0.472 614 R N 3.259 123.637 120.500 -0.204 0.000 2.275 614 R HA 0.409 4.748 4.340 -0.001 0.000 0.326 614 R C -1.066 175.268 176.300 0.057 0.000 0.973 614 R CA -0.515 55.501 56.100 -0.139 0.000 0.854 614 R CB 0.655 30.914 30.300 -0.069 0.000 1.156 614 R HN 0.924 nan 8.270 nan 0.000 0.487 615 Y N 1.813 122.078 120.300 -0.059 0.000 2.314 615 Y HA 0.018 4.567 4.550 -0.001 0.000 0.334 615 Y C 1.444 177.329 175.900 -0.025 0.000 1.266 615 Y CA -0.847 57.233 58.100 -0.033 0.000 1.391 615 Y CB 1.072 39.520 38.460 -0.021 0.000 1.306 615 Y HN 0.526 nan 8.280 nan 0.000 0.558 616 E N 0.907 121.195 120.200 0.147 0.000 2.478 616 E HA -0.122 4.228 4.350 -0.001 0.000 0.198 616 E C 0.267 176.901 176.600 0.057 0.000 1.046 616 E CA 0.814 57.255 56.400 0.068 0.000 0.870 616 E CB -0.228 29.490 29.700 0.030 0.000 0.818 616 E HN 0.748 nan 8.360 nan 0.000 0.527 617 D N 0.003 120.452 120.400 0.082 0.000 2.349 617 D HA 0.082 4.722 4.640 -0.001 0.000 0.224 617 D C 1.140 177.467 176.300 0.045 0.000 1.029 617 D CA 0.769 54.804 54.000 0.059 0.000 0.879 617 D CB 0.297 41.141 40.800 0.072 0.000 0.906 617 D HN 0.262 nan 8.370 nan 0.000 0.528 618 G N 0.809 109.635 108.800 0.042 0.000 2.144 618 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.218 618 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.218 618 G C 0.189 175.092 174.900 0.005 0.000 0.988 618 G CA -0.206 44.905 45.100 0.018 0.000 0.659 618 G HN 0.431 nan 8.290 nan 0.000 0.522 619 R N -0.249 120.258 120.500 0.012 0.000 2.832 619 R HA 0.864 5.203 4.340 -0.001 0.000 0.271 619 R C -0.446 175.783 176.300 -0.117 0.000 0.996 619 R CA -0.949 55.132 56.100 -0.032 0.000 0.977 619 R CB 1.509 31.809 30.300 -0.001 0.000 1.168 619 R HN 0.628 nan 8.270 nan 0.000 0.482 620 L N -0.713 120.405 121.223 -0.176 0.000 2.464 620 L HA 0.675 5.015 4.340 -0.001 0.000 0.266 620 L C -0.896 175.785 176.870 -0.316 0.000 0.965 620 L CA -1.258 53.413 54.840 -0.281 0.000 0.833 620 L CB 2.169 44.114 42.059 -0.191 0.000 1.296 620 L HN 0.306 nan 8.230 nan 0.000 0.405 621 V N 0.325 119.934 119.914 -0.509 0.000 2.604 621 V HA 0.442 4.562 4.120 -0.001 0.000 0.305 621 V C -0.231 175.553 176.094 -0.516 0.000 1.043 621 V CA -0.538 61.489 62.300 -0.455 0.000 0.888 621 V CB 1.928 33.451 31.823 -0.501 0.000 0.995 621 V HN 0.861 nan 8.190 nan 0.000 0.429 622 E N 2.717 122.775 120.200 -0.237 0.000 2.194 622 E HA 0.303 4.653 4.350 -0.001 0.000 0.284 622 E C -1.428 175.202 176.600 0.051 0.000 1.035 622 E CA -0.365 55.950 56.400 -0.143 0.000 0.836 622 E CB 0.676 30.339 29.700 -0.062 0.000 1.070 622 E HN 0.731 nan 8.360 nan 0.000 0.401 623 Y N 5.571 125.821 120.300 -0.083 0.000 2.721 623 Y HA 0.261 4.811 4.550 -0.001 0.000 0.328 623 Y C -2.029 173.822 175.900 -0.082 0.000 1.003 623 Y CA -2.728 55.324 58.100 -0.079 0.000 1.275 623 Y CB 1.133 39.546 38.460 -0.079 0.000 1.097 623 Y HN 0.426 nan 8.280 nan 0.000 0.514 624 P HA 0.049 nan 4.420 nan 0.000 0.270 624 P C -1.035 176.232 177.300 -0.055 0.000 1.223 624 P CA 0.119 63.220 63.100 0.002 0.000 0.785 624 P CB 0.715 32.414 31.700 -0.000 0.000 0.923 625 L N 0.718 121.887 121.223 -0.090 0.000 2.356 625 L HA 0.537 4.876 4.340 -0.001 0.000 0.277 625 L C 0.299 177.033 176.870 -0.226 0.000 0.996 625 L CA -0.994 53.748 54.840 -0.163 0.000 0.822 625 L CB 1.530 43.496 42.059 -0.155 0.000 1.256 625 L HN 0.126 nan 8.230 nan 0.000 0.413 626 R N 3.441 123.707 120.500 -0.390 0.000 2.637 626 R HA -0.013 4.326 4.340 -0.001 0.000 0.331 626 R C 0.853 176.932 176.300 -0.367 0.000 1.166 626 R CA -0.054 55.626 56.100 -0.700 0.000 0.993 626 R CB 0.021 29.622 30.300 -1.166 0.000 1.012 626 R HN 0.745 nan 8.270 nan 0.000 0.461 627 R N 1.882 122.304 120.500 -0.130 0.000 2.205 627 R HA -0.137 4.203 4.340 -0.001 0.000 0.221 627 R C 0.001 175.918 176.300 -0.638 0.000 1.101 627 R CA 1.193 57.060 56.100 -0.388 0.000 0.869 627 R CB -0.235 29.943 30.300 -0.203 0.000 0.815 627 R HN 0.235 nan 8.270 nan 0.000 0.434 628 F N 0.070 120.160 119.950 0.233 0.000 2.771 628 F HA 0.393 4.920 4.527 -0.001 0.000 0.365 628 F C -1.051 174.858 175.800 0.181 0.000 1.169 628 F CA -1.203 56.890 58.000 0.155 0.000 1.093 628 F CB 1.220 40.238 39.000 0.031 0.000 1.363 628 F HN 0.007 nan 8.300 nan 0.000 0.496 629 Y N 0.631 120.973 120.300 0.069 0.000 2.496 629 Y HA 0.648 5.198 4.550 -0.001 0.000 0.331 629 Y C 0.399 176.299 175.900 -0.000 0.000 1.140 629 Y CA -1.524 56.573 58.100 -0.005 0.000 1.166 629 Y CB 1.168 39.612 38.460 -0.027 0.000 1.249 629 Y HN 0.322 nan 8.280 nan 0.000 0.479 630 R N 1.454 122.013 120.500 0.098 0.000 2.196 630 R HA 0.333 4.673 4.340 -0.001 0.000 0.340 630 R C -0.314 176.028 176.300 0.070 0.000 1.043 630 R CA -0.406 55.737 56.100 0.071 0.000 0.883 630 R CB -0.002 30.368 30.300 0.116 0.000 1.078 630 R HN 0.708 nan 8.270 nan 0.000 0.462 631 S N 3.231 118.937 115.700 0.009 0.000 2.593 631 S HA 0.088 4.558 4.470 -0.001 0.000 0.269 631 S C 0.591 175.155 174.600 -0.060 0.000 1.334 631 S CA -0.373 57.806 58.200 -0.035 0.000 1.015 631 S CB 0.803 63.940 63.200 -0.105 0.000 0.912 631 S HN 0.686 nan 8.310 nan 0.000 0.541 632 N N 1.663 120.304 118.700 -0.098 0.000 2.061 632 N HA -0.114 4.625 4.740 -0.001 0.000 0.193 632 N C 1.176 176.534 175.510 -0.253 0.000 1.030 632 N CA 1.480 54.441 53.050 -0.148 0.000 0.856 632 N CB -0.358 37.796 38.487 -0.554 0.000 1.023 632 N HN 0.629 nan 8.380 nan 0.000 0.424 633 Q N -0.232 119.351 119.800 -0.361 0.000 2.247 633 Q HA 0.277 4.617 4.340 -0.001 0.000 0.205 633 Q C 0.588 176.368 176.000 -0.367 0.000 0.896 633 Q CA 0.221 55.789 55.803 -0.392 0.000 0.950 633 Q CB -0.186 28.193 28.738 -0.599 0.000 1.054 633 Q HN 0.448 nan 8.270 nan 0.000 0.482 634 G N 1.896 110.530 108.800 -0.276 0.000 2.246 634 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.273 634 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.273 634 G C 0.189 174.807 174.900 -0.470 0.000 1.055 634 G CA 0.668 45.541 45.100 -0.378 0.000 0.851 634 G HN 0.436 nan 8.290 nan 0.000 0.500 635 T N -2.251 112.152 114.554 -0.250 0.000 2.895 635 T HA 0.829 5.178 4.350 -0.001 0.000 0.283 635 T C 0.388 175.064 174.700 -0.040 0.000 1.014 635 T CA 0.156 62.185 62.100 -0.117 0.000 1.037 635 T CB 2.329 71.135 68.868 -0.104 0.000 1.006 635 T HN 1.695 nan 8.240 nan 0.000 0.468 636 A N 2.906 125.740 122.820 0.022 0.000 2.401 636 A HA 0.622 4.942 4.320 -0.001 0.000 0.259 636 A C -0.083 177.558 177.584 0.095 0.000 1.103 636 A CA -0.786 51.303 52.037 0.088 0.000 0.789 636 A CB -0.381 18.689 19.000 0.116 0.000 1.035 636 A HN 0.863 nan 8.150 nan 0.000 0.491 637 L N 2.827 124.121 121.223 0.119 0.000 2.337 637 L HA 0.499 4.838 4.340 -0.001 0.000 0.269 637 L C -0.598 176.279 176.870 0.012 0.000 1.018 637 L CA -0.381 54.483 54.840 0.040 0.000 0.876 637 L CB 1.112 43.166 42.059 -0.007 0.000 1.236 637 L HN 0.755 nan 8.230 nan 0.000 0.436 638 D N 1.614 122.010 120.400 -0.007 0.000 2.619 638 D HA 0.473 5.112 4.640 -0.001 0.000 0.241 638 D C -0.916 175.293 176.300 -0.152 0.000 1.087 638 D CA -0.488 53.431 54.000 -0.136 0.000 0.851 638 D CB 1.798 42.528 40.800 -0.117 0.000 1.474 638 D HN 0.304 nan 8.370 nan 0.000 0.478 639 Q N 1.787 121.457 119.800 -0.217 0.000 2.372 639 Q HA 0.392 4.732 4.340 -0.001 0.000 0.259 639 Q C -0.587 175.318 176.000 -0.159 0.000 0.993 639 Q CA -0.460 55.235 55.803 -0.180 0.000 0.854 639 Q CB 1.461 30.078 28.738 -0.201 0.000 1.231 639 Q HN 0.335 nan 8.270 nan 0.000 0.462 640 R N 2.068 122.500 120.500 -0.114 0.000 2.198 640 R HA 0.463 4.803 4.340 -0.001 0.000 0.339 640 R C -2.585 173.670 176.300 -0.075 0.000 1.020 640 R CA -2.056 53.994 56.100 -0.084 0.000 0.864 640 R CB 0.179 30.451 30.300 -0.047 0.000 1.105 640 R HN 0.228 nan 8.270 nan 0.000 0.463 641 P HA -0.008 nan 4.420 nan 0.000 0.264 641 P C 0.054 177.328 177.300 -0.044 0.000 1.193 641 P CA -0.108 62.961 63.100 -0.053 0.000 0.763 641 P CB 0.588 32.262 31.700 -0.044 0.000 0.810 642 R N 1.814 122.288 120.500 -0.043 0.000 2.437 642 R HA 0.212 4.551 4.340 -0.001 0.000 0.257 642 R C -0.453 175.830 176.300 -0.029 0.000 0.927 642 R CA 0.024 56.100 56.100 -0.040 0.000 1.078 642 R CB 0.443 30.711 30.300 -0.053 0.000 1.161 642 R HN 0.278 nan 8.270 nan 0.000 0.529 643 V N 2.330 122.231 119.914 -0.022 0.000 2.459 643 V HA 0.277 4.397 4.120 -0.001 0.000 0.295 643 V C 0.727 176.813 176.094 -0.014 0.000 1.029 643 V CA -1.001 61.291 62.300 -0.013 0.000 0.874 643 V CB 1.923 33.746 31.823 0.000 0.000 0.985 643 V HN -0.095 nan 8.190 nan 0.000 0.438 644 V N 3.330 123.236 119.914 -0.013 0.000 3.385 644 V HA 0.479 4.599 4.120 -0.001 0.000 0.301 644 V C 0.411 176.497 176.094 -0.014 0.000 1.082 644 V CA -0.774 61.517 62.300 -0.014 0.000 1.085 644 V CB 0.818 32.633 31.823 -0.013 0.000 1.152 644 V HN 0.569 nan 8.190 nan 0.000 0.465 645 V N 0.801 120.706 119.914 -0.015 0.000 2.585 645 V HA 0.511 4.631 4.120 -0.001 0.000 0.296 645 V C 1.256 177.342 176.094 -0.014 0.000 1.035 645 V CA 0.312 62.602 62.300 -0.018 0.000 1.084 645 V CB -0.571 31.241 31.823 -0.018 0.000 0.953 645 V HN 1.970 nan 8.190 nan 0.000 0.483 646 G N 2.753 111.544 108.800 -0.015 0.000 2.415 646 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.283 646 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.283 646 G C -0.326 174.571 174.900 -0.005 0.000 1.014 646 G CA 0.298 45.392 45.100 -0.011 0.000 1.323 646 G HN 0.971 nan 8.290 nan 0.000 0.502 647 Q N 1.011 120.811 119.800 0.000 0.000 2.274 647 Q HA 0.279 4.619 4.340 -0.001 0.000 0.268 647 Q C 0.530 176.539 176.000 0.014 0.000 1.015 647 Q CA -1.001 54.805 55.803 0.004 0.000 0.775 647 Q CB 1.132 29.871 28.738 0.002 0.000 1.256 647 Q HN 0.714 nan 8.270 nan 0.000 0.442 648 R N 2.276 122.782 120.500 0.011 0.000 2.345 648 R HA 0.223 4.563 4.340 -0.001 0.000 0.331 648 R C 0.057 176.364 176.300 0.012 0.000 1.067 648 R CA -0.127 55.981 56.100 0.014 0.000 0.962 648 R CB -0.741 29.562 30.300 0.005 0.000 0.987 648 R HN 0.239 nan 8.270 nan 0.000 0.451 649 V N 1.762 121.690 119.914 0.023 0.000 2.481 649 V HA 0.429 4.549 4.120 -0.001 0.000 0.286 649 V C 0.713 176.797 176.094 -0.016 0.000 1.042 649 V CA -1.302 61.009 62.300 0.018 0.000 0.928 649 V CB 1.142 32.999 31.823 0.057 0.000 0.986 649 V HN 0.716 nan 8.190 nan 0.000 0.462 650 R N 2.485 122.973 120.500 -0.020 0.000 2.539 650 R HA 0.388 4.728 4.340 -0.001 0.000 0.275 650 R C -0.056 176.210 176.300 -0.056 0.000 1.077 650 R CA -0.857 55.219 56.100 -0.040 0.000 1.097 650 R CB 0.863 31.145 30.300 -0.030 0.000 1.018 650 R HN 0.773 nan 8.270 nan 0.000 0.483 651 K N 1.244 121.593 120.400 -0.085 0.000 2.453 651 K HA -0.014 4.306 4.320 -0.001 0.000 0.280 651 K C 0.349 176.915 176.600 -0.057 0.000 1.045 651 K CA 1.272 57.499 56.287 -0.100 0.000 1.059 651 K CB -0.055 32.382 32.500 -0.105 0.000 0.901 651 K HN 0.915 nan 8.250 nan 0.000 0.475 652 G N 3.382 112.170 108.800 -0.021 0.000 2.204 652 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.244 652 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.244 652 G C -0.579 174.333 174.900 0.020 0.000 1.062 652 G CA 0.118 45.210 45.100 -0.013 0.000 0.798 652 G HN 0.762 nan 8.290 nan 0.000 0.496 653 D N -0.014 120.442 120.400 0.093 0.000 2.350 653 D HA 0.459 5.099 4.640 -0.001 0.000 0.245 653 D C 1.171 177.583 176.300 0.186 0.000 1.036 653 D CA -0.751 53.311 54.000 0.104 0.000 0.848 653 D CB 1.497 42.321 40.800 0.040 0.000 1.307 653 D HN 0.602 nan 8.370 nan 0.000 0.469 654 L N 2.909 124.243 121.223 0.184 0.000 2.615 654 L HA 0.097 4.437 4.340 -0.001 0.000 0.271 654 L C 0.292 177.169 176.870 0.012 0.000 1.183 654 L CA -0.188 54.703 54.840 0.086 0.000 0.933 654 L CB 0.254 42.327 42.059 0.023 0.000 1.199 654 L HN 0.434 nan 8.230 nan 0.000 0.487 655 L N 4.826 126.040 121.223 -0.014 0.000 2.202 655 L HA 0.444 4.783 4.340 -0.001 0.000 0.205 655 L C 1.105 177.952 176.870 -0.039 0.000 1.083 655 L CA 0.636 55.481 54.840 0.008 0.000 0.790 655 L CB -0.430 41.676 42.059 0.077 0.000 0.942 655 L HN 0.858 nan 8.230 nan 0.000 0.452 656 A N -1.090 121.670 122.820 -0.100 0.000 2.572 656 A HA 0.533 4.853 4.320 -0.001 0.000 0.295 656 A C -1.580 175.908 177.584 -0.160 0.000 1.072 656 A CA -0.653 51.313 52.037 -0.118 0.000 0.691 656 A CB 1.409 20.334 19.000 -0.125 0.000 1.291 656 A HN -0.053 nan 8.150 nan 0.000 0.404 657 D N 0.847 121.171 120.400 -0.126 0.000 2.175 657 D HA 0.481 5.121 4.640 -0.001 0.000 0.248 657 D C 0.874 177.102 176.300 -0.119 0.000 1.047 657 D CA 0.474 54.403 54.000 -0.117 0.000 0.883 657 D CB 1.882 42.636 40.800 -0.077 0.000 1.180 657 D HN 0.758 nan 8.370 nan 0.000 0.438 658 G N 1.912 110.643 108.800 -0.115 0.000 2.647 658 G HA2 0.041 4.000 3.960 -0.001 0.000 0.271 658 G HA3 0.041 4.000 3.960 -0.001 0.000 0.271 658 G C -1.557 173.306 174.900 -0.061 0.000 1.300 658 G CA -0.612 44.427 45.100 -0.102 0.000 0.997 658 G HN 0.283 nan 8.290 nan 0.000 0.533 659 P HA -0.046 nan 4.420 nan 0.000 0.216 659 P C 1.059 178.364 177.300 0.008 0.000 1.150 659 P CA 2.359 65.451 63.100 -0.014 0.000 0.843 659 P CB 0.242 31.933 31.700 -0.015 0.000 0.787 660 A N -1.712 121.114 122.820 0.011 0.000 2.606 660 A HA 0.335 4.654 4.320 -0.001 0.000 0.290 660 A C 0.431 178.043 177.584 0.047 0.000 1.174 660 A CA -0.082 51.976 52.037 0.035 0.000 0.958 660 A CB -0.254 18.774 19.000 0.047 0.000 1.194 660 A HN 0.177 nan 8.150 nan 0.000 0.526 661 S N -1.034 114.680 115.700 0.024 0.000 2.525 661 S HA 0.497 4.966 4.470 -0.001 0.000 0.290 661 S C 0.518 175.127 174.600 0.015 0.000 1.152 661 S CA -0.066 58.155 58.200 0.035 0.000 1.072 661 S CB 2.023 65.234 63.200 0.017 0.000 1.027 661 S HN 0.399 nan 8.310 nan 0.000 0.500 662 E N 2.120 122.341 120.200 0.035 0.000 2.022 662 E HA 0.024 4.373 4.350 -0.001 0.000 0.190 662 E C -0.371 176.196 176.600 -0.055 0.000 0.973 662 E CA 0.627 57.034 56.400 0.012 0.000 0.816 662 E CB 0.173 29.915 29.700 0.071 0.000 0.781 662 E HN 0.683 nan 8.360 nan 0.000 0.456 663 N N -0.846 117.775 118.700 -0.131 0.000 2.675 663 N HA 0.210 4.949 4.740 -0.001 0.000 0.254 663 N C -0.667 174.517 175.510 -0.542 0.000 1.224 663 N CA 0.536 53.403 53.050 -0.304 0.000 0.777 663 N CB 1.355 39.627 38.487 -0.358 0.000 1.256 663 N HN 0.382 nan 8.380 nan 0.000 0.531 664 G N 0.832 109.476 108.800 -0.260 0.000 2.219 664 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.271 664 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.271 664 G C -0.047 174.810 174.900 -0.073 0.000 0.991 664 G CA 0.625 45.633 45.100 -0.153 0.000 0.685 664 G HN 0.494 nan 8.290 nan 0.000 0.531 665 F N -0.972 118.991 119.950 0.022 0.000 2.450 665 F HA 0.558 5.085 4.527 -0.001 0.000 0.332 665 F C 0.583 176.386 175.800 0.005 0.000 1.093 665 F CA -1.618 56.382 58.000 -0.000 0.000 1.003 665 F CB 1.415 40.399 39.000 -0.026 0.000 1.151 665 F HN -0.014 nan 8.300 nan 0.000 0.474 666 L N 3.593 124.943 121.223 0.213 0.000 2.534 666 L HA 0.396 4.736 4.340 -0.001 0.000 0.271 666 L C -0.302 176.648 176.870 0.135 0.000 1.178 666 L CA 0.065 54.983 54.840 0.130 0.000 0.907 666 L CB -0.347 41.762 42.059 0.082 0.000 1.164 666 L HN 0.615 nan 8.230 nan 0.000 0.482 667 A N 6.526 129.443 122.820 0.162 0.000 2.375 667 A HA 0.791 5.111 4.320 -0.001 0.000 0.295 667 A C -1.593 176.141 177.584 0.249 0.000 1.066 667 A CA -0.520 51.656 52.037 0.232 0.000 0.722 667 A CB 0.877 19.983 19.000 0.177 0.000 1.206 667 A HN 0.585 nan 8.150 nan 0.000 0.435 668 L N 1.841 123.297 121.223 0.389 0.000 2.431 668 L HA 0.850 5.189 4.340 -0.001 0.000 0.266 668 L C 0.724 177.553 176.870 -0.069 0.000 0.978 668 L CA 0.505 55.432 54.840 0.146 0.000 0.822 668 L CB 1.554 43.673 42.059 0.100 0.000 1.310 668 L HN 1.730 nan 8.230 nan 0.000 0.409 669 G N 1.894 110.664 108.800 -0.051 0.000 2.752 669 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.234 669 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.234 669 G C -0.785 174.165 174.900 0.083 0.000 1.367 669 G CA -0.303 44.768 45.100 -0.047 0.000 0.879 669 G HN 0.710 nan 8.290 nan 0.000 0.563 670 Q N -0.876 119.061 119.800 0.227 0.000 2.456 670 Q HA 0.375 4.715 4.340 -0.001 0.000 0.284 670 Q C -0.116 176.077 176.000 0.322 0.000 1.061 670 Q CA -0.817 55.106 55.803 0.200 0.000 0.799 670 Q CB 1.535 30.217 28.738 -0.093 0.000 1.445 670 Q HN 0.745 nan 8.270 nan 0.000 0.411 671 N N 0.184 119.104 118.700 0.366 0.000 2.458 671 N HA 0.265 5.005 4.740 -0.001 0.000 0.258 671 N C -1.107 174.622 175.510 0.364 0.000 1.219 671 N CA -0.114 53.163 53.050 0.378 0.000 0.902 671 N CB 1.034 39.703 38.487 0.303 0.000 1.076 671 N HN 0.180 nan 8.380 nan 0.000 0.455 672 V N 3.484 123.589 119.914 0.318 0.000 2.851 672 V HA 0.323 4.442 4.120 -0.001 0.000 0.307 672 V C -0.846 175.384 176.094 0.226 0.000 1.129 672 V CA -0.935 61.519 62.300 0.257 0.000 0.932 672 V CB 1.808 33.769 31.823 0.230 0.000 1.024 672 V HN 0.565 nan 8.190 nan 0.000 0.426 673 L N 5.590 126.934 121.223 0.201 0.000 2.410 673 L HA 0.557 4.896 4.340 -0.001 0.000 0.273 673 L C -0.367 176.569 176.870 0.110 0.000 1.144 673 L CA 0.133 55.076 54.840 0.171 0.000 0.863 673 L CB 1.447 43.582 42.059 0.127 0.000 1.140 673 L HN 0.728 nan 8.230 nan 0.000 0.463 674 V N 5.101 125.077 119.914 0.102 0.000 2.686 674 V HA 0.730 4.849 4.120 -0.001 0.000 0.306 674 V C -0.320 175.809 176.094 0.057 0.000 1.065 674 V CA -0.438 61.907 62.300 0.075 0.000 0.894 674 V CB 1.942 33.813 31.823 0.081 0.000 1.004 674 V HN 0.816 nan 8.190 nan 0.000 0.424 675 A N 6.161 129.012 122.820 0.051 0.000 2.274 675 A HA 0.729 5.048 4.320 -0.001 0.000 0.309 675 A C -0.331 177.283 177.584 0.049 0.000 1.226 675 A CA -0.312 51.757 52.037 0.053 0.000 0.853 675 A CB 0.622 19.667 19.000 0.075 0.000 1.146 675 A HN 0.918 nan 8.150 nan 0.000 0.518 676 I N 3.756 124.348 120.570 0.037 0.000 2.410 676 I HA 0.219 4.389 4.170 -0.001 0.000 0.288 676 I C 0.362 176.505 176.117 0.042 0.000 1.106 676 I CA 0.453 61.770 61.300 0.028 0.000 1.389 676 I CB -0.823 37.175 38.000 -0.003 0.000 1.561 676 I HN 0.740 nan 8.210 nan 0.000 0.605 677 M N 2.170 121.815 119.600 0.075 0.000 2.775 677 M HA 0.804 5.284 4.480 -0.001 0.000 0.296 677 M C -2.858 173.523 176.300 0.134 0.000 1.248 677 M CA -1.982 53.374 55.300 0.094 0.000 0.800 677 M CB 1.699 34.368 32.600 0.115 0.000 1.765 677 M HN -0.230 nan 8.290 nan 0.000 0.472 678 P HA 0.448 nan 4.420 nan 0.000 0.300 678 P C -1.596 175.854 177.300 0.251 0.000 1.326 678 P CA -0.203 62.995 63.100 0.163 0.000 0.844 678 P CB 0.824 32.582 31.700 0.096 0.000 0.992 679 F N 1.511 121.524 119.950 0.106 0.000 2.456 679 F HA 0.240 4.767 4.527 -0.001 0.000 0.364 679 F C 1.695 177.586 175.800 0.151 0.000 1.092 679 F CA -0.132 57.958 58.000 0.149 0.000 1.125 679 F CB 0.314 39.444 39.000 0.216 0.000 1.543 679 F HN 0.291 nan 8.300 nan 0.000 0.504 680 D N 0.140 120.646 120.400 0.178 0.000 2.225 680 D HA -0.046 4.593 4.640 -0.001 0.000 0.229 680 D C 1.489 177.790 176.300 0.001 0.000 1.096 680 D CA 2.541 56.572 54.000 0.050 0.000 0.964 680 D CB -0.566 40.282 40.800 0.081 0.000 1.336 680 D HN 0.598 nan 8.370 nan 0.000 0.511 681 G N -2.389 106.288 108.800 -0.206 0.000 3.443 681 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.252 681 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.252 681 G C 0.375 175.214 174.900 -0.102 0.000 1.015 681 G CA -0.287 44.731 45.100 -0.137 0.000 0.891 681 G HN 0.157 nan 8.290 nan 0.000 0.510 682 Y N 2.041 122.460 120.300 0.198 0.000 2.384 682 Y HA -0.075 4.474 4.550 -0.001 0.000 0.289 682 Y C 1.348 177.332 175.900 0.139 0.000 1.152 682 Y CA 1.165 59.361 58.100 0.160 0.000 1.258 682 Y CB 0.101 38.664 38.460 0.173 0.000 0.979 682 Y HN 0.387 nan 8.280 nan 0.000 0.549 683 N N -1.167 117.691 118.700 0.264 0.000 2.765 683 N HA 0.023 4.762 4.740 -0.001 0.000 0.277 683 N C 0.056 175.667 175.510 0.168 0.000 1.750 683 N CA -0.462 52.698 53.050 0.183 0.000 0.827 683 N CB -0.823 37.755 38.487 0.153 0.000 1.200 683 N HN 0.150 nan 8.380 nan 0.000 0.494 684 F N 1.464 121.434 119.950 0.034 0.000 2.044 684 F HA 0.259 4.786 4.527 -0.001 0.000 0.287 684 F C 1.711 177.521 175.800 0.016 0.000 1.155 684 F CA 1.451 59.459 58.000 0.012 0.000 1.152 684 F CB 0.115 39.107 39.000 -0.013 0.000 1.013 684 F HN 0.212 nan 8.300 nan 0.000 0.478 685 E N -1.166 118.579 120.200 -0.758 0.000 2.132 685 E HA -0.004 4.346 4.350 -0.001 0.000 0.193 685 E C -0.146 176.296 176.600 -0.264 0.000 0.951 685 E CA 0.783 56.738 56.400 -0.741 0.000 0.843 685 E CB 0.350 29.624 29.700 -0.711 0.000 0.807 685 E HN 0.430 nan 8.360 nan 0.000 0.467 686 D N -0.262 120.073 120.400 -0.108 0.000 3.256 686 D HA 0.239 4.878 4.640 -0.001 0.000 0.332 686 D C -1.247 175.061 176.300 0.013 0.000 1.327 686 D CA 0.041 54.016 54.000 -0.042 0.000 0.735 686 D CB 1.133 41.910 40.800 -0.040 0.000 1.280 686 D HN 0.013 nan 8.370 nan 0.000 0.572 687 A N 0.601 123.447 122.820 0.044 0.000 2.320 687 A HA 0.785 5.105 4.320 -0.001 0.000 0.334 687 A C -0.529 177.096 177.584 0.069 0.000 1.147 687 A CA -0.400 51.683 52.037 0.078 0.000 0.820 687 A CB 1.250 20.331 19.000 0.134 0.000 1.218 687 A HN 0.175 nan 8.150 nan 0.000 0.482 688 I N 0.972 121.577 120.570 0.059 0.000 2.465 688 I HA 0.370 4.539 4.170 -0.001 0.000 0.291 688 I C -0.466 175.666 176.117 0.026 0.000 1.014 688 I CA -0.343 60.978 61.300 0.035 0.000 1.093 688 I CB 2.102 40.107 38.000 0.009 0.000 1.267 688 I HN 0.304 nan 8.210 nan 0.000 0.431 689 V N 6.750 126.655 119.914 -0.014 0.000 2.364 689 V HA 0.447 4.567 4.120 -0.001 0.000 0.272 689 V C 0.063 176.085 176.094 -0.120 0.000 1.036 689 V CA -0.591 61.645 62.300 -0.107 0.000 0.880 689 V CB 1.207 32.865 31.823 -0.276 0.000 0.991 689 V HN 0.579 nan 8.190 nan 0.000 0.460 690 I N 3.391 123.902 120.570 -0.098 0.000 2.525 690 I HA 0.541 4.710 4.170 -0.001 0.000 0.301 690 I C 0.263 176.325 176.117 -0.092 0.000 0.992 690 I CA -0.137 61.130 61.300 -0.056 0.000 1.162 690 I CB 2.157 40.161 38.000 0.007 0.000 1.332 690 I HN 0.637 nan 8.210 nan 0.000 0.458 691 S N 4.647 120.302 115.700 -0.074 0.000 2.489 691 S HA 0.089 4.559 4.470 -0.001 0.000 0.277 691 S C 1.030 175.592 174.600 -0.063 0.000 1.230 691 S CA -0.284 57.864 58.200 -0.087 0.000 1.053 691 S CB 0.872 64.021 63.200 -0.085 0.000 0.955 691 S HN 0.842 nan 8.310 nan 0.000 0.488 692 E N 2.826 122.989 120.200 -0.062 0.000 2.273 692 E HA -0.212 4.138 4.350 -0.001 0.000 0.198 692 E C 0.906 177.478 176.600 -0.046 0.000 1.002 692 E CA 1.149 57.523 56.400 -0.042 0.000 0.828 692 E CB 0.096 29.771 29.700 -0.040 0.000 0.747 692 E HN 0.612 nan 8.360 nan 0.000 0.491 693 E N 0.466 120.624 120.200 -0.070 0.000 2.153 693 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 693 E C 1.976 178.491 176.600 -0.141 0.000 0.988 693 E CA 0.603 56.944 56.400 -0.098 0.000 0.811 693 E CB -0.206 29.426 29.700 -0.113 0.000 0.746 693 E HN 0.401 nan 8.360 nan 0.000 0.466 694 L N -0.264 120.877 121.223 -0.137 0.000 2.201 694 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 694 L C 2.185 179.038 176.870 -0.027 0.000 1.105 694 L CA 0.607 55.347 54.840 -0.166 0.000 0.775 694 L CB -0.192 41.817 42.059 -0.082 0.000 0.913 694 L HN 0.164 nan 8.230 nan 0.000 0.440 695 L N -0.991 120.235 121.223 0.004 0.000 2.162 695 L HA -0.103 4.237 4.340 -0.001 0.000 0.205 695 L C 2.610 179.499 176.870 0.032 0.000 1.086 695 L CA 0.497 55.362 54.840 0.042 0.000 0.778 695 L CB -0.334 41.747 42.059 0.036 0.000 0.928 695 L HN 0.174 nan 8.230 nan 0.000 0.446 696 K N 1.375 121.777 120.400 0.003 0.000 2.000 696 K HA -0.174 4.146 4.320 -0.001 0.000 0.218 696 K C 0.828 177.446 176.600 0.030 0.000 1.053 696 K CA 1.309 57.600 56.287 0.005 0.000 0.946 696 K CB -0.568 31.922 32.500 -0.018 0.000 0.723 696 K HN 0.421 nan 8.250 nan 0.000 0.446 697 R N 2.690 123.213 120.500 0.037 0.000 2.210 697 R HA 0.169 4.509 4.340 -0.001 0.000 0.338 697 R C -1.160 175.264 176.300 0.208 0.000 1.062 697 R CA -0.388 55.786 56.100 0.124 0.000 0.902 697 R CB -0.094 30.305 30.300 0.164 0.000 1.050 697 R HN -0.067 nan 8.270 nan 0.000 0.461 698 D N 3.547 124.032 120.400 0.142 0.000 2.552 698 D HA -0.102 4.538 4.640 -0.001 0.000 0.274 698 D C -0.291 176.081 176.300 0.120 0.000 1.406 698 D CA 0.547 54.615 54.000 0.115 0.000 1.311 698 D CB -0.218 40.619 40.800 0.062 0.000 1.146 698 D HN 0.522 nan 8.370 nan 0.000 0.541 699 F N -0.015 119.870 119.950 -0.109 0.000 2.437 699 F HA 0.169 4.695 4.527 -0.001 0.000 0.288 699 F C 0.516 176.132 175.800 -0.307 0.000 1.085 699 F CA 0.229 58.069 58.000 -0.268 0.000 1.430 699 F CB 0.347 39.096 39.000 -0.418 0.000 1.120 699 F HN 0.247 nan 8.300 nan 0.000 0.556 700 Y N 0.389 120.778 120.300 0.149 0.000 2.748 700 Y HA 0.340 4.890 4.550 -0.001 0.000 0.359 700 Y C -0.526 175.388 175.900 0.023 0.000 1.030 700 Y CA -0.833 57.299 58.100 0.053 0.000 1.169 700 Y CB 0.511 38.999 38.460 0.048 0.000 1.127 700 Y HN -0.287 nan 8.280 nan 0.000 0.644 701 T N 0.031 114.686 114.554 0.168 0.000 2.848 701 T HA 0.560 4.909 4.350 -0.001 0.000 0.285 701 T C -0.419 174.322 174.700 0.070 0.000 0.995 701 T CA -1.027 61.129 62.100 0.094 0.000 0.970 701 T CB 1.668 70.575 68.868 0.066 0.000 0.976 701 T HN 0.367 nan 8.240 nan 0.000 0.441 702 S N 1.606 117.339 115.700 0.054 0.000 2.547 702 S HA 0.736 5.206 4.470 -0.001 0.000 0.281 702 S C -0.716 173.934 174.600 0.083 0.000 1.118 702 S CA -1.053 57.184 58.200 0.063 0.000 0.947 702 S CB 0.552 63.782 63.200 0.050 0.000 1.053 702 S HN 0.553 nan 8.310 nan 0.000 0.482 703 I N 2.303 122.927 120.570 0.091 0.000 2.395 703 I HA 0.507 4.676 4.170 -0.001 0.000 0.289 703 I C -0.045 176.187 176.117 0.191 0.000 1.023 703 I CA -0.223 61.127 61.300 0.084 0.000 1.350 703 I CB 0.192 38.186 38.000 -0.010 0.000 1.409 703 I HN 0.709 nan 8.210 nan 0.000 0.507 704 H N 5.652 124.736 119.070 0.024 0.000 2.658 704 H HA 0.635 5.191 4.556 -0.001 0.000 0.337 704 H C -0.995 174.352 175.328 0.030 0.000 1.009 704 H CA -0.490 55.586 56.048 0.047 0.000 1.231 704 H CB 1.327 31.145 29.762 0.092 0.000 1.508 704 H HN 0.519 nan 8.280 nan 0.000 0.517 705 I N 3.295 123.769 120.570 -0.161 0.000 2.354 705 I HA 0.235 4.404 4.170 -0.001 0.000 0.292 705 I C -0.253 175.769 176.117 -0.159 0.000 0.989 705 I CA -0.683 60.557 61.300 -0.100 0.000 1.188 705 I CB 1.463 39.438 38.000 -0.042 0.000 1.342 705 I HN 0.468 nan 8.210 nan 0.000 0.457 706 E N 6.475 126.563 120.200 -0.187 0.000 2.212 706 E HA 0.339 4.689 4.350 -0.001 0.000 0.268 706 E C -0.836 175.449 176.600 -0.524 0.000 0.902 706 E CA -0.811 55.391 56.400 -0.331 0.000 0.779 706 E CB 1.580 31.033 29.700 -0.411 0.000 1.172 706 E HN 0.388 nan 8.360 nan 0.000 0.409 707 R N 5.187 125.425 120.500 -0.436 0.000 2.666 707 R HA 0.214 4.553 4.340 -0.001 0.000 0.275 707 R C -0.790 175.286 176.300 -0.374 0.000 1.266 707 R CA -0.404 55.407 56.100 -0.482 0.000 1.401 707 R CB -0.248 29.817 30.300 -0.392 0.000 1.145 707 R HN 0.554 nan 8.270 nan 0.000 0.581 708 Y N 0.969 121.199 120.300 -0.117 0.000 2.457 708 Y HA 0.158 4.707 4.550 -0.001 0.000 0.341 708 Y C 0.744 176.569 175.900 -0.125 0.000 1.240 708 Y CA 0.118 58.168 58.100 -0.084 0.000 1.437 708 Y CB 0.697 39.129 38.460 -0.047 0.000 1.328 708 Y HN 0.293 nan 8.280 nan 0.000 0.588 709 E N 2.565 122.806 120.200 0.069 0.000 2.343 709 E HA 0.496 4.845 4.350 -0.001 0.000 0.278 709 E C -1.667 174.937 176.600 0.006 0.000 0.910 709 E CA -0.850 55.545 56.400 -0.008 0.000 0.757 709 E CB 2.906 32.573 29.700 -0.055 0.000 1.218 709 E HN 0.681 nan 8.360 nan 0.000 0.435 710 I N 1.561 122.127 120.570 -0.006 0.000 2.730 710 I HA 0.432 4.602 4.170 -0.001 0.000 0.298 710 I C -1.313 174.798 176.117 -0.010 0.000 1.089 710 I CA -0.504 60.792 61.300 -0.006 0.000 1.041 710 I CB 1.745 39.741 38.000 -0.006 0.000 1.235 710 I HN 0.470 nan 8.210 nan 0.000 0.423 711 E N 5.466 125.661 120.200 -0.008 0.000 2.248 711 E HA 0.502 4.852 4.350 -0.001 0.000 0.267 711 E C -1.050 175.549 176.600 -0.001 0.000 0.877 711 E CA -1.049 55.347 56.400 -0.007 0.000 0.759 711 E CB 2.201 31.894 29.700 -0.010 0.000 1.182 711 E HN 0.671 nan 8.360 nan 0.000 0.418 712 A N 4.038 126.859 122.820 0.002 0.000 2.539 712 A HA 0.214 4.533 4.320 -0.001 0.000 0.306 712 A C 0.163 177.753 177.584 0.011 0.000 1.392 712 A CA -0.221 51.823 52.037 0.011 0.000 1.060 712 A CB -0.053 18.955 19.000 0.013 0.000 1.134 712 A HN 0.445 nan 8.150 nan 0.000 0.542 713 R N 1.411 121.919 120.500 0.014 0.000 2.500 713 R HA 0.174 4.513 4.340 -0.001 0.000 0.275 713 R C -0.795 175.510 176.300 0.010 0.000 1.051 713 R CA -0.467 55.638 56.100 0.008 0.000 1.088 713 R CB 1.054 31.358 30.300 0.006 0.000 1.063 713 R HN 0.733 nan 8.270 nan 0.000 0.511 714 D N 1.738 122.134 120.400 -0.006 0.000 2.428 714 D HA 0.124 4.763 4.640 -0.001 0.000 0.221 714 D C -0.840 175.437 176.300 -0.038 0.000 1.123 714 D CA 0.040 54.027 54.000 -0.021 0.000 0.869 714 D CB 0.924 41.710 40.800 -0.024 0.000 1.032 714 D HN 0.340 nan 8.370 nan 0.000 0.506 715 T N 2.759 117.279 114.554 -0.058 0.000 2.928 715 T HA 0.200 4.549 4.350 -0.001 0.000 0.284 715 T C 1.427 176.044 174.700 -0.137 0.000 1.008 715 T CA -0.696 61.357 62.100 -0.078 0.000 1.057 715 T CB 1.880 70.713 68.868 -0.058 0.000 1.018 715 T HN 0.219 nan 8.240 nan 0.000 0.493 716 K N 1.029 121.360 120.400 -0.114 0.000 2.555 716 K HA 0.122 4.441 4.320 -0.001 0.000 0.193 716 K C 1.253 177.738 176.600 -0.191 0.000 1.032 716 K CA 0.530 56.741 56.287 -0.127 0.000 1.004 716 K CB -0.176 32.276 32.500 -0.080 0.000 0.804 716 K HN 0.481 nan 8.250 nan 0.000 0.496 717 L N -0.598 120.466 121.223 -0.266 0.000 2.513 717 L HA 0.179 4.518 4.340 -0.001 0.000 0.222 717 L C 0.765 177.025 176.870 -1.018 0.000 1.096 717 L CA -0.131 54.472 54.840 -0.395 0.000 0.857 717 L CB 0.242 42.182 42.059 -0.198 0.000 1.026 717 L HN 0.154 nan 8.230 nan 0.000 0.469 718 G N 0.078 108.279 108.800 -1.000 0.000 2.326 718 G HA2 0.066 4.025 3.960 -0.001 0.000 0.299 718 G HA3 0.066 4.025 3.960 -0.001 0.000 0.299 718 G C -3.136 171.452 174.900 -0.520 0.000 1.643 718 G CA -1.074 43.263 45.100 -1.271 0.000 0.916 718 G HN -0.311 nan 8.290 nan 0.000 0.700 719 P HA 0.130 nan 4.420 nan 0.000 0.265 719 P C -0.020 177.405 177.300 0.207 0.000 1.187 719 P CA 0.482 63.602 63.100 0.033 0.000 0.766 719 P CB 0.429 32.147 31.700 0.030 0.000 0.820 720 E N 3.523 123.811 120.200 0.147 0.000 2.070 720 E HA 0.118 4.468 4.350 -0.001 0.000 0.282 720 E C 0.123 176.777 176.600 0.090 0.000 1.104 720 E CA -0.230 56.259 56.400 0.148 0.000 0.876 720 E CB 0.380 30.134 29.700 0.090 0.000 1.055 720 E HN 0.259 nan 8.360 nan 0.000 0.401 721 R N 2.335 122.887 120.500 0.087 0.000 2.531 721 R HA 0.356 4.695 4.340 -0.001 0.000 0.273 721 R C 0.232 176.544 176.300 0.020 0.000 1.070 721 R CA -0.481 55.648 56.100 0.048 0.000 1.112 721 R CB 1.048 31.375 30.300 0.044 0.000 1.049 721 R HN 0.545 nan 8.270 nan 0.000 0.508 722 I N 1.794 122.373 120.570 0.014 0.000 2.337 722 I HA 0.215 4.384 4.170 -0.001 0.000 0.285 722 I C -0.909 175.209 176.117 0.002 0.000 1.041 722 I CA 0.227 61.530 61.300 0.005 0.000 1.199 722 I CB 1.026 39.030 38.000 0.006 0.000 1.370 722 I HN 0.526 nan 8.210 nan 0.000 0.470 723 T N 4.709 119.260 114.554 -0.005 0.000 2.841 723 T HA 0.310 4.659 4.350 -0.001 0.000 0.296 723 T C 0.783 175.477 174.700 -0.009 0.000 1.166 723 T CA -0.645 61.452 62.100 -0.005 0.000 1.007 723 T CB 2.064 70.928 68.868 -0.006 0.000 1.253 723 T HN 0.737 nan 8.240 nan 0.000 0.511 724 R N 0.520 121.016 120.500 -0.007 0.000 2.241 724 R HA 0.013 4.352 4.340 -0.001 0.000 0.224 724 R C 0.052 176.345 176.300 -0.012 0.000 1.101 724 R CA 0.706 56.801 56.100 -0.008 0.000 0.995 724 R CB -0.010 30.288 30.300 -0.004 0.000 0.870 724 R HN 0.553 nan 8.270 nan 0.000 0.463 725 D N 0.793 121.184 120.400 -0.015 0.000 2.344 725 D HA 0.021 4.661 4.640 -0.001 0.000 0.253 725 D C -0.785 175.499 176.300 -0.027 0.000 1.255 725 D CA 0.228 54.217 54.000 -0.018 0.000 0.894 725 D CB 0.649 41.437 40.800 -0.020 0.000 1.067 725 D HN 0.049 nan 8.370 nan 0.000 0.492 726 I N 6.089 126.646 120.570 -0.022 0.000 2.395 726 I HA 0.144 4.314 4.170 -0.001 0.000 0.282 726 I C -1.396 174.714 176.117 -0.010 0.000 1.107 726 I CA -1.755 59.528 61.300 -0.028 0.000 1.210 726 I CB 1.245 39.230 38.000 -0.025 0.000 1.456 726 I HN 0.170 nan 8.210 nan 0.000 0.504 727 P HA -0.294 nan 4.420 nan 0.000 0.233 727 P C 1.212 178.611 177.300 0.164 0.000 1.146 727 P CA 2.023 65.142 63.100 0.032 0.000 0.931 727 P CB 0.016 31.688 31.700 -0.046 0.000 0.777 728 H N -4.032 115.016 119.070 -0.037 0.000 2.615 728 H HA 0.268 4.823 4.556 -0.001 0.000 0.275 728 H C 1.595 176.901 175.328 -0.036 0.000 0.981 728 H CA 0.470 56.498 56.048 -0.033 0.000 1.252 728 H CB 0.461 30.204 29.762 -0.031 0.000 1.447 728 H HN 0.054 nan 8.280 nan 0.000 0.498 729 L N -1.014 120.253 121.223 0.073 0.000 2.885 729 L HA 0.124 4.463 4.340 -0.001 0.000 0.263 729 L C -0.050 176.817 176.870 -0.005 0.000 1.033 729 L CA 0.004 54.852 54.840 0.014 0.000 1.051 729 L CB 1.283 43.349 42.059 0.012 0.000 1.860 729 L HN 0.038 nan 8.230 nan 0.000 0.544 730 S N -2.240 113.458 115.700 -0.002 0.000 2.579 730 S HA 0.419 4.888 4.470 -0.001 0.000 0.272 730 S C 0.097 174.691 174.600 -0.009 0.000 1.141 730 S CA -0.538 57.656 58.200 -0.010 0.000 0.843 730 S CB 2.150 65.342 63.200 -0.013 0.000 1.122 730 S HN -0.053 nan 8.310 nan 0.000 0.468 731 E N 1.149 121.343 120.200 -0.011 0.000 2.250 731 E HA 0.307 4.657 4.350 -0.001 0.000 0.192 731 E C 2.025 178.620 176.600 -0.009 0.000 0.986 731 E CA 1.304 57.698 56.400 -0.009 0.000 0.849 731 E CB -0.540 29.155 29.700 -0.009 0.000 0.797 731 E HN 0.786 nan 8.360 nan 0.000 0.482 732 A N 0.500 123.314 122.820 -0.010 0.000 2.024 732 A HA -0.073 4.247 4.320 -0.001 0.000 0.220 732 A C 2.185 179.764 177.584 -0.009 0.000 1.164 732 A CA 1.799 53.831 52.037 -0.009 0.000 0.643 732 A CB -0.511 18.483 19.000 -0.010 0.000 0.806 732 A HN 0.258 nan 8.150 nan 0.000 0.451 733 A N -1.948 120.865 122.820 -0.011 0.000 2.238 733 A HA 0.420 4.739 4.320 -0.001 0.000 0.210 733 A C 1.563 179.140 177.584 -0.012 0.000 1.179 733 A CA 0.559 52.588 52.037 -0.013 0.000 0.827 733 A CB -0.142 18.848 19.000 -0.016 0.000 0.856 733 A HN 0.375 nan 8.150 nan 0.000 0.488 734 L N 0.008 121.226 121.223 -0.009 0.000 2.616 734 L HA 0.137 4.477 4.340 -0.001 0.000 0.229 734 L C 2.317 179.185 176.870 -0.004 0.000 1.110 734 L CA 0.569 55.405 54.840 -0.007 0.000 0.884 734 L CB -0.295 41.760 42.059 -0.007 0.000 1.115 734 L HN 0.488 nan 8.230 nan 0.000 0.481 735 R N -1.017 119.481 120.500 -0.003 0.000 2.088 735 R HA -0.156 4.184 4.340 -0.001 0.000 0.232 735 R C 1.346 177.647 176.300 0.002 0.000 1.136 735 R CA 1.876 57.976 56.100 -0.001 0.000 0.926 735 R CB -1.147 29.152 30.300 -0.000 0.000 0.837 735 R HN 0.142 nan 8.270 nan 0.000 0.429 736 D N 1.307 121.709 120.400 0.003 0.000 2.182 736 D HA -0.081 4.558 4.640 -0.001 0.000 0.201 736 D C 0.595 176.900 176.300 0.008 0.000 0.986 736 D CA 0.962 54.966 54.000 0.007 0.000 0.847 736 D CB -0.233 40.571 40.800 0.008 0.000 0.942 736 D HN 0.087 nan 8.370 nan 0.000 0.467 737 L N 1.409 122.634 121.223 0.003 0.000 2.436 737 L HA 0.061 4.400 4.340 -0.001 0.000 0.244 737 L C 1.162 178.034 176.870 0.004 0.000 1.396 737 L CA 0.351 55.193 54.840 0.003 0.000 1.217 737 L CB -0.366 41.692 42.059 -0.002 0.000 1.420 737 L HN -0.173 nan 8.230 nan 0.000 0.434 738 D N 0.441 120.845 120.400 0.007 0.000 2.106 738 D HA -0.073 4.567 4.640 -0.001 0.000 0.203 738 D C 0.580 176.884 176.300 0.007 0.000 0.977 738 D CA 0.804 54.808 54.000 0.007 0.000 0.844 738 D CB 0.348 41.153 40.800 0.008 0.000 1.002 738 D HN 0.416 nan 8.370 nan 0.000 0.461 739 E N 1.703 121.908 120.200 0.009 0.000 2.415 739 E HA 0.006 4.356 4.350 -0.001 0.000 0.260 739 E C -0.395 176.210 176.600 0.007 0.000 1.016 739 E CA 0.034 56.440 56.400 0.009 0.000 0.924 739 E CB 0.578 30.286 29.700 0.013 0.000 0.961 739 E HN 0.251 nan 8.360 nan 0.000 0.459 740 E N 1.736 121.939 120.200 0.006 0.000 3.102 740 E HA -0.059 4.291 4.350 -0.001 0.000 0.235 740 E C 1.068 177.670 176.600 0.004 0.000 0.995 740 E CA 1.322 57.724 56.400 0.004 0.000 0.950 740 E CB -0.534 29.169 29.700 0.004 0.000 0.905 740 E HN 0.846 nan 8.360 nan 0.000 0.553 741 G N 1.382 110.183 108.800 0.002 0.000 3.079 741 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.214 741 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.214 741 G C 0.327 175.229 174.900 0.004 0.000 1.335 741 G CA -0.154 44.946 45.100 0.001 0.000 0.822 741 G HN 0.513 nan 8.290 nan 0.000 0.545 742 V N 2.115 122.034 119.914 0.009 0.000 2.834 742 V HA 0.613 4.732 4.120 -0.001 0.000 0.301 742 V C 1.269 177.373 176.094 0.017 0.000 1.066 742 V CA -0.057 62.252 62.300 0.015 0.000 1.052 742 V CB 1.672 33.508 31.823 0.020 0.000 1.021 742 V HN 0.796 nan 8.190 nan 0.000 0.480 743 V N 4.927 124.855 119.914 0.023 0.000 2.775 743 V HA 0.386 4.506 4.120 -0.001 0.000 0.299 743 V C 0.564 176.676 176.094 0.030 0.000 1.062 743 V CA -0.615 61.700 62.300 0.025 0.000 1.063 743 V CB 1.334 33.176 31.823 0.032 0.000 0.994 743 V HN 1.052 nan 8.190 nan 0.000 0.483 744 R N 5.029 125.544 120.500 0.025 0.000 2.438 744 R HA 0.474 4.814 4.340 -0.001 0.000 0.287 744 R C -0.652 175.666 176.300 0.030 0.000 1.077 744 R CA -0.338 55.777 56.100 0.024 0.000 1.034 744 R CB 0.087 30.398 30.300 0.018 0.000 0.993 744 R HN 0.484 nan 8.270 nan 0.000 0.459 745 I N 2.789 123.377 120.570 0.030 0.000 2.710 745 I HA 0.170 4.340 4.170 -0.001 0.000 0.286 745 I C 1.542 177.675 176.117 0.026 0.000 1.181 745 I CA 1.396 62.715 61.300 0.032 0.000 1.430 745 I CB 0.751 38.768 38.000 0.028 0.000 1.367 745 I HN 0.955 nan 8.210 nan 0.000 0.577 746 G N 3.977 112.793 108.800 0.027 0.000 2.136 746 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.242 746 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.242 746 G C 0.200 175.113 174.900 0.022 0.000 0.989 746 G CA -0.110 45.003 45.100 0.021 0.000 0.682 746 G HN 1.066 nan 8.290 nan 0.000 0.522 747 A N 0.063 122.900 122.820 0.028 0.000 2.290 747 A HA 0.693 5.013 4.320 -0.001 0.000 0.310 747 A C 0.386 177.989 177.584 0.032 0.000 1.202 747 A CA 0.010 52.063 52.037 0.027 0.000 0.837 747 A CB 0.684 19.699 19.000 0.026 0.000 1.139 747 A HN 0.531 nan 8.150 nan 0.000 0.509 748 E N 2.276 122.492 120.200 0.026 0.000 2.220 748 E HA 0.302 4.652 4.350 -0.001 0.000 0.272 748 E C -0.595 176.022 176.600 0.029 0.000 1.099 748 E CA -0.200 56.218 56.400 0.029 0.000 0.907 748 E CB 0.290 30.003 29.700 0.023 0.000 1.022 748 E HN 0.536 nan 8.360 nan 0.000 0.428 749 V N 2.625 122.563 119.914 0.040 0.000 2.328 749 V HA 0.466 4.586 4.120 -0.001 0.000 0.278 749 V C -0.221 175.890 176.094 0.028 0.000 1.021 749 V CA -1.067 61.252 62.300 0.030 0.000 0.838 749 V CB 1.026 32.873 31.823 0.040 0.000 0.999 749 V HN 0.407 nan 8.190 nan 0.000 0.447 750 K N 5.412 125.818 120.400 0.011 0.000 2.090 750 K HA 0.599 4.919 4.320 -0.001 0.000 0.250 750 K C -2.701 173.891 176.600 -0.013 0.000 1.004 750 K CA -2.236 54.056 56.287 0.009 0.000 0.919 750 K CB 0.690 33.194 32.500 0.006 0.000 1.045 750 K HN 0.439 nan 8.250 nan 0.000 0.471 751 P HA 0.063 nan 4.420 nan 0.000 0.264 751 P C -0.071 177.195 177.300 -0.056 0.000 1.193 751 P CA 0.929 64.005 63.100 -0.040 0.000 0.763 751 P CB 0.604 32.294 31.700 -0.017 0.000 0.810 752 G N 1.649 110.398 108.800 -0.086 0.000 2.141 752 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.231 752 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.231 752 G C -0.282 174.576 174.900 -0.069 0.000 0.984 752 G CA -0.452 44.599 45.100 -0.083 0.000 0.660 752 G HN 0.476 nan 8.290 nan 0.000 0.525 753 D N 0.334 120.693 120.400 -0.069 0.000 2.229 753 D HA 0.510 5.150 4.640 -0.001 0.000 0.249 753 D C 1.047 177.309 176.300 -0.064 0.000 1.027 753 D CA -0.584 53.385 54.000 -0.053 0.000 0.923 753 D CB 0.966 41.745 40.800 -0.035 0.000 1.174 753 D HN 0.096 nan 8.370 nan 0.000 0.443 754 I N 2.301 122.843 120.570 -0.048 0.000 2.517 754 I HA -0.013 4.156 4.170 -0.001 0.000 0.285 754 I C 1.476 177.569 176.117 -0.041 0.000 1.106 754 I CA 0.142 61.413 61.300 -0.049 0.000 1.402 754 I CB 0.554 38.533 38.000 -0.035 0.000 1.399 754 I HN 0.325 nan 8.210 nan 0.000 0.535 755 L N 6.659 127.850 121.223 -0.053 0.000 2.202 755 L HA 0.129 4.468 4.340 -0.001 0.000 0.205 755 L C 0.251 177.118 176.870 -0.005 0.000 1.083 755 L CA 0.867 55.692 54.840 -0.025 0.000 0.790 755 L CB 0.309 42.343 42.059 -0.042 0.000 0.942 755 L HN 0.384 nan 8.230 nan 0.000 0.452 756 V N -1.121 118.783 119.914 -0.018 0.000 2.969 756 V HA 0.531 4.651 4.120 -0.001 0.000 0.304 756 V C -0.224 175.857 176.094 -0.020 0.000 1.192 756 V CA -0.782 61.512 62.300 -0.010 0.000 0.962 756 V CB 1.738 33.559 31.823 -0.003 0.000 1.045 756 V HN 0.072 nan 8.190 nan 0.000 0.428 757 G N 2.460 111.250 108.800 -0.017 0.000 2.371 757 G HA2 0.768 4.728 3.960 -0.001 0.000 0.326 757 G HA3 0.768 4.728 3.960 -0.001 0.000 0.326 757 G C -0.813 174.075 174.900 -0.020 0.000 1.127 757 G CA -0.538 44.549 45.100 -0.023 0.000 0.885 757 G HN 0.779 nan 8.290 nan 0.000 0.477 758 R N 0.076 120.559 120.500 -0.027 0.000 2.626 758 R HA 0.623 4.963 4.340 -0.001 0.000 0.274 758 R C -1.279 174.999 176.300 -0.036 0.000 1.031 758 R CA -0.597 55.490 56.100 -0.021 0.000 0.898 758 R CB 2.021 32.313 30.300 -0.013 0.000 1.222 758 R HN 0.660 nan 8.270 nan 0.000 0.455 759 T N 0.421 114.954 114.554 -0.034 0.000 2.847 759 T HA 0.482 4.832 4.350 -0.001 0.000 0.291 759 T C -0.239 174.431 174.700 -0.051 0.000 0.998 759 T CA -0.622 61.431 62.100 -0.079 0.000 0.967 759 T CB 1.381 70.176 68.868 -0.122 0.000 0.954 759 T HN 0.583 nan 8.240 nan 0.000 0.441 760 S N 2.359 118.033 115.700 -0.044 0.000 2.776 760 S HA 0.863 5.333 4.470 -0.001 0.000 0.306 760 S C -0.789 173.807 174.600 -0.006 0.000 1.114 760 S CA -0.958 57.312 58.200 0.116 0.000 0.973 760 S CB 0.417 63.688 63.200 0.119 0.000 1.250 760 S HN 0.521 nan 8.310 nan 0.000 0.549 761 F N 0.991 120.928 119.950 -0.022 0.000 2.422 761 F HA 0.565 5.092 4.527 -0.001 0.000 0.333 761 F C 1.598 177.385 175.800 -0.021 0.000 1.095 761 F CA -1.301 56.688 58.000 -0.019 0.000 1.038 761 F CB 1.335 40.327 39.000 -0.012 0.000 1.156 761 F HN 0.680 nan 8.300 nan 0.000 0.483 762 K N 1.487 121.930 120.400 0.071 0.000 1.991 762 K HA -0.016 4.303 4.320 -0.001 0.000 0.212 762 K C 1.077 177.706 176.600 0.048 0.000 1.049 762 K CA 1.379 57.682 56.287 0.027 0.000 0.932 762 K CB -0.352 32.151 32.500 0.005 0.000 0.717 762 K HN 0.877 nan 8.250 nan 0.000 0.441 763 G N -0.763 108.077 108.800 0.066 0.000 2.642 763 G HA2 0.097 4.057 3.960 -0.001 0.000 0.291 763 G HA3 0.097 4.057 3.960 -0.001 0.000 0.291 763 G C 0.074 175.003 174.900 0.049 0.000 1.345 763 G CA -0.431 44.698 45.100 0.048 0.000 1.043 763 G HN 0.157 nan 8.290 nan 0.000 0.528 764 E N -0.733 119.485 120.200 0.030 0.000 2.122 764 E HA 0.046 4.395 4.350 -0.001 0.000 0.190 764 E C 1.605 178.214 176.600 0.015 0.000 0.977 764 E CA 1.300 57.713 56.400 0.021 0.000 0.820 764 E CB 0.466 30.173 29.700 0.012 0.000 0.770 764 E HN 0.315 nan 8.360 nan 0.000 0.462 765 S N -0.609 115.101 115.700 0.017 0.000 2.456 765 S HA 0.108 4.578 4.470 -0.001 0.000 0.282 765 S C -0.143 174.468 174.600 0.018 0.000 1.057 765 S CA -0.280 57.926 58.200 0.011 0.000 1.321 765 S CB 1.161 64.362 63.200 0.002 0.000 1.117 765 S HN 0.006 nan 8.310 nan 0.000 0.584 766 E N 1.674 121.887 120.200 0.022 0.000 2.277 766 E HA 0.618 4.968 4.350 -0.001 0.000 0.266 766 E C -2.555 174.063 176.600 0.030 0.000 0.901 766 E CA -1.663 54.751 56.400 0.023 0.000 0.782 766 E CB 0.672 30.381 29.700 0.015 0.000 1.228 766 E HN -0.009 nan 8.360 nan 0.000 0.424 767 P HA 0.242 nan 4.420 nan 0.000 0.323 767 P C -0.729 176.586 177.300 0.024 0.000 1.319 767 P CA -0.437 62.682 63.100 0.032 0.000 0.741 767 P CB 0.442 32.161 31.700 0.030 0.000 1.545 768 T N 0.092 114.660 114.554 0.022 0.000 2.881 768 T HA 0.282 4.631 4.350 -0.001 0.000 0.291 768 T C -2.161 172.547 174.700 0.014 0.000 0.990 768 T CA -0.790 61.321 62.100 0.018 0.000 0.976 768 T CB 1.476 70.356 68.868 0.021 0.000 0.970 768 T HN 0.131 nan 8.240 nan 0.000 0.438 769 P HA -0.045 nan 4.420 nan 0.000 0.217 769 P C 1.141 178.443 177.300 0.002 0.000 1.150 769 P CA 1.010 64.113 63.100 0.005 0.000 0.832 769 P CB 0.387 32.089 31.700 0.003 0.000 0.787 770 E N -0.705 119.498 120.200 0.006 0.000 2.170 770 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 770 E C 1.957 178.562 176.600 0.008 0.000 0.981 770 E CA 0.442 56.845 56.400 0.004 0.000 0.830 770 E CB -0.342 29.363 29.700 0.009 0.000 0.775 770 E HN 0.328 nan 8.360 nan 0.000 0.470 771 E N 1.525 121.735 120.200 0.016 0.000 2.358 771 E HA -0.150 4.200 4.350 -0.001 0.000 0.195 771 E C 2.022 178.634 176.600 0.019 0.000 1.010 771 E CA 0.363 56.779 56.400 0.026 0.000 0.856 771 E CB 0.227 29.949 29.700 0.037 0.000 0.795 771 E HN -0.033 nan 8.360 nan 0.000 0.504 772 R N 0.724 121.230 120.500 0.009 0.000 2.073 772 R HA -0.103 4.236 4.340 -0.001 0.000 0.229 772 R C 2.297 178.588 176.300 -0.014 0.000 1.120 772 R CA 1.053 57.154 56.100 0.002 0.000 0.967 772 R CB -0.836 29.465 30.300 0.002 0.000 0.862 772 R HN 0.255 nan 8.270 nan 0.000 0.436 773 L N 0.594 121.802 121.223 -0.025 0.000 2.072 773 L HA 0.036 4.376 4.340 -0.001 0.000 0.205 773 L C 1.958 178.778 176.870 -0.084 0.000 1.079 773 L CA 1.687 56.496 54.840 -0.052 0.000 0.752 773 L CB -0.975 41.053 42.059 -0.051 0.000 0.906 773 L HN 0.420 nan 8.230 nan 0.000 0.436 774 L N -0.373 120.813 121.223 -0.062 0.000 1.989 774 L HA -0.175 4.164 4.340 -0.001 0.000 0.211 774 L C 2.523 179.361 176.870 -0.054 0.000 1.071 774 L CA 1.730 56.527 54.840 -0.072 0.000 0.749 774 L CB -0.960 41.109 42.059 0.017 0.000 0.890 774 L HN 0.154 nan 8.230 nan 0.000 0.431 775 R N 0.109 120.610 120.500 0.001 0.000 2.080 775 R HA -0.135 4.205 4.340 -0.001 0.000 0.236 775 R C 2.613 178.911 176.300 -0.004 0.000 1.137 775 R CA 1.531 57.648 56.100 0.028 0.000 0.943 775 R CB -1.710 28.610 30.300 0.033 0.000 0.846 775 R HN 0.614 nan 8.270 nan 0.000 0.431 776 S N 0.711 116.389 115.700 -0.037 0.000 2.365 776 S HA -0.115 4.354 4.470 -0.001 0.000 0.225 776 S C 2.086 176.630 174.600 -0.093 0.000 1.039 776 S CA 1.284 59.455 58.200 -0.049 0.000 1.033 776 S CB -0.238 62.931 63.200 -0.050 0.000 0.887 776 S HN 0.254 nan 8.310 nan 0.000 0.447 777 I N -0.005 120.445 120.570 -0.199 0.000 2.118 777 I HA -0.200 3.970 4.170 -0.001 0.000 0.241 777 I C 1.865 177.796 176.117 -0.310 0.000 1.070 777 I CA 1.630 62.721 61.300 -0.348 0.000 1.327 777 I CB -0.465 37.142 38.000 -0.654 0.000 1.034 777 I HN 0.307 nan 8.210 nan 0.000 0.405 778 F N 0.276 120.213 119.950 -0.023 0.000 2.473 778 F HA 0.305 4.831 4.527 -0.001 0.000 0.294 778 F C 1.201 176.985 175.800 -0.027 0.000 1.103 778 F CA 0.233 58.215 58.000 -0.029 0.000 1.442 778 F CB -0.127 38.848 39.000 -0.042 0.000 1.097 778 F HN 0.037 nan 8.300 nan 0.000 0.547 779 G N 0.333 109.208 108.800 0.125 0.000 2.667 779 G HA2 0.205 4.164 3.960 -0.001 0.000 0.244 779 G HA3 0.205 4.164 3.960 -0.001 0.000 0.244 779 G C 0.295 175.221 174.900 0.043 0.000 3.242 779 G CA -0.331 44.812 45.100 0.070 0.000 0.634 779 G HN 0.186 nan 8.290 nan 0.000 0.410 780 E N 1.373 121.585 120.200 0.020 0.000 2.114 780 E HA -0.245 4.105 4.350 -0.001 0.000 0.199 780 E C 1.284 177.895 176.600 0.019 0.000 1.008 780 E CA 1.512 57.919 56.400 0.012 0.000 0.810 780 E CB -0.319 29.383 29.700 0.002 0.000 0.739 780 E HN 0.642 nan 8.360 nan 0.000 0.456 781 K N 1.337 121.748 120.400 0.019 0.000 2.054 781 K HA 0.458 4.777 4.320 -0.001 0.000 0.242 781 K C -0.651 175.962 176.600 0.021 0.000 1.157 781 K CA 0.183 56.480 56.287 0.017 0.000 1.079 781 K CB 0.490 32.999 32.500 0.014 0.000 1.331 781 K HN 0.199 nan 8.250 nan 0.000 0.317 782 A N 2.814 125.649 122.820 0.024 0.000 2.386 782 A HA 0.380 4.700 4.320 -0.001 0.000 0.311 782 A C -0.707 176.890 177.584 0.021 0.000 1.068 782 A CA -1.079 50.977 52.037 0.032 0.000 0.743 782 A CB 1.099 20.130 19.000 0.051 0.000 1.258 782 A HN 0.738 nan 8.150 nan 0.000 0.429 783 R N 1.819 122.327 120.500 0.013 0.000 2.413 783 R HA 0.011 4.351 4.340 -0.001 0.000 0.333 783 R C -0.206 176.058 176.300 -0.060 0.000 1.074 783 R CA -0.097 55.983 56.100 -0.032 0.000 0.982 783 R CB -0.007 30.266 30.300 -0.046 0.000 0.981 783 R HN 0.831 nan 8.270 nan 0.000 0.452 784 D N 2.141 122.494 120.400 -0.077 0.000 2.357 784 D HA -0.131 4.509 4.640 -0.001 0.000 0.216 784 D C 0.326 176.505 176.300 -0.200 0.000 0.973 784 D CA 0.853 54.799 54.000 -0.090 0.000 0.912 784 D CB 0.325 41.093 40.800 -0.054 0.000 0.900 784 D HN 0.216 nan 8.370 nan 0.000 0.501 785 V N 1.194 120.920 119.914 -0.313 0.000 2.637 785 V HA -0.016 4.103 4.120 -0.001 0.000 0.296 785 V C 0.446 176.379 176.094 -0.270 0.000 1.046 785 V CA 0.001 62.036 62.300 -0.442 0.000 1.066 785 V CB 1.481 33.020 31.823 -0.473 0.000 0.968 785 V HN -0.091 nan 8.190 nan 0.000 0.483 786 K N 4.445 124.707 120.400 -0.230 0.000 2.118 786 K HA 0.199 4.518 4.320 -0.001 0.000 0.267 786 K C -0.206 176.300 176.600 -0.156 0.000 0.991 786 K CA -0.640 55.543 56.287 -0.174 0.000 0.916 786 K CB 0.853 33.291 32.500 -0.103 0.000 1.041 786 K HN 0.802 nan 8.250 nan 0.000 0.455 787 D N 2.970 123.270 120.400 -0.166 0.000 2.393 787 D HA 0.017 4.657 4.640 -0.001 0.000 0.232 787 D C -0.917 175.329 176.300 -0.090 0.000 1.192 787 D CA 0.014 53.937 54.000 -0.128 0.000 0.882 787 D CB 0.476 41.192 40.800 -0.140 0.000 1.038 787 D HN 0.547 nan 8.370 nan 0.000 0.499 788 T N 0.413 114.926 114.554 -0.069 0.000 3.401 788 T HA 0.392 4.741 4.350 -0.001 0.000 0.341 788 T C -0.411 174.263 174.700 -0.044 0.000 1.674 788 T CA -0.804 61.266 62.100 -0.050 0.000 1.600 788 T CB 0.151 69.001 68.868 -0.030 0.000 0.974 788 T HN 0.053 nan 8.240 nan 0.000 0.672 789 S N 2.628 118.297 115.700 -0.052 0.000 2.454 789 S HA 0.522 4.992 4.470 -0.001 0.000 0.306 789 S C -0.092 174.474 174.600 -0.057 0.000 1.100 789 S CA -0.883 57.288 58.200 -0.048 0.000 1.087 789 S CB 1.284 64.454 63.200 -0.049 0.000 1.019 789 S HN 0.697 nan 8.310 nan 0.000 0.480 790 L N 4.764 125.956 121.223 -0.051 0.000 2.660 790 L HA 0.070 4.410 4.340 -0.001 0.000 0.272 790 L C 0.174 176.986 176.870 -0.097 0.000 1.194 790 L CA 1.050 55.849 54.840 -0.068 0.000 0.945 790 L CB -0.151 41.879 42.059 -0.048 0.000 1.212 790 L HN 0.530 nan 8.230 nan 0.000 0.490 791 R N 3.454 123.878 120.500 -0.127 0.000 2.856 791 R HA 0.525 4.865 4.340 -0.001 0.000 0.258 791 R C -1.033 175.131 176.300 -0.227 0.000 1.066 791 R CA -1.040 54.972 56.100 -0.147 0.000 1.045 791 R CB 1.052 31.277 30.300 -0.124 0.000 1.178 791 R HN 0.368 nan 8.270 nan 0.000 0.499 792 V N 3.792 123.571 119.914 -0.225 0.000 2.397 792 V HA 0.132 4.251 4.120 -0.001 0.000 0.262 792 V C -1.917 174.042 176.094 -0.225 0.000 1.047 792 V CA -1.315 60.807 62.300 -0.297 0.000 1.003 792 V CB 0.291 31.995 31.823 -0.199 0.000 1.037 792 V HN 0.503 nan 8.190 nan 0.000 0.480 793 P HA 0.154 nan 4.420 nan 0.000 0.267 793 P C -2.480 174.754 177.300 -0.110 0.000 1.200 793 P CA -0.870 62.130 63.100 -0.166 0.000 0.772 793 P CB -0.160 31.486 31.700 -0.090 0.000 0.855 794 P HA 0.168 nan 4.420 nan 0.000 0.267 794 P C 0.777 178.220 177.300 0.238 0.000 1.200 794 P CA 1.076 64.134 63.100 -0.070 0.000 0.772 794 P CB 0.217 31.675 31.700 -0.403 0.000 0.855 795 G N 1.221 110.153 108.800 0.220 0.000 2.433 795 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.211 795 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.211 795 G C -1.285 173.687 174.900 0.119 0.000 1.214 795 G CA -0.461 44.756 45.100 0.195 0.000 1.271 795 G HN 0.509 nan 8.290 nan 0.000 0.503 796 E N -0.048 120.227 120.200 0.125 0.000 2.392 796 E HA 0.602 4.952 4.350 -0.001 0.000 0.279 796 E C -0.230 176.462 176.600 0.154 0.000 0.964 796 E CA -0.022 56.445 56.400 0.112 0.000 0.777 796 E CB 1.570 31.333 29.700 0.104 0.000 1.249 796 E HN 1.221 nan 8.360 nan 0.000 0.449 797 G N -0.784 108.095 108.800 0.131 0.000 2.658 797 G HA2 0.707 4.667 3.960 -0.001 0.000 0.292 797 G HA3 0.707 4.667 3.960 -0.001 0.000 0.292 797 G C -0.266 174.720 174.900 0.143 0.000 1.320 797 G CA -0.010 45.199 45.100 0.181 0.000 0.933 797 G HN 0.456 nan 8.290 nan 0.000 0.476 798 G N -1.024 107.866 108.800 0.150 0.000 3.244 798 G HA2 0.536 4.495 3.960 -0.001 0.000 0.197 798 G HA3 0.536 4.495 3.960 -0.001 0.000 0.197 798 G C -0.415 174.535 174.900 0.083 0.000 1.531 798 G CA -0.427 44.734 45.100 0.101 0.000 0.747 798 G HN 0.731 nan 8.290 nan 0.000 0.763 799 I N 1.738 122.349 120.570 0.069 0.000 2.493 799 I HA 0.451 4.621 4.170 -0.001 0.000 0.298 799 I C 0.246 176.404 176.117 0.068 0.000 0.998 799 I CA -1.149 60.184 61.300 0.056 0.000 1.137 799 I CB 1.192 39.209 38.000 0.029 0.000 1.310 799 I HN 0.241 nan 8.210 nan 0.000 0.445 800 V N 3.914 123.871 119.914 0.072 0.000 2.397 800 V HA 0.160 4.280 4.120 -0.001 0.000 0.262 800 V C 1.157 177.289 176.094 0.063 0.000 1.047 800 V CA -0.274 62.078 62.300 0.087 0.000 1.003 800 V CB 0.472 32.347 31.823 0.086 0.000 1.037 800 V HN 0.743 nan 8.190 nan 0.000 0.480 801 V N 1.740 121.691 119.914 0.062 0.000 2.575 801 V HA 0.367 4.486 4.120 -0.001 0.000 0.242 801 V C 1.017 177.121 176.094 0.017 0.000 1.045 801 V CA 0.721 63.033 62.300 0.021 0.000 1.065 801 V CB -0.321 31.491 31.823 -0.018 0.000 0.717 801 V HN 0.898 nan 8.190 nan 0.000 0.467 802 R N 0.136 120.678 120.500 0.069 0.000 2.774 802 R HA 0.626 4.966 4.340 -0.001 0.000 0.272 802 R C -1.481 174.976 176.300 0.262 0.000 1.000 802 R CA 0.268 56.405 56.100 0.062 0.000 0.906 802 R CB 2.352 32.514 30.300 -0.229 0.000 1.227 802 R HN 0.509 nan 8.270 nan 0.000 0.468 803 T N -0.825 113.846 114.554 0.196 0.000 2.933 803 T HA 0.579 4.929 4.350 -0.001 0.000 0.305 803 T C -1.080 173.714 174.700 0.157 0.000 1.092 803 T CA -0.727 61.485 62.100 0.186 0.000 1.008 803 T CB 1.819 70.748 68.868 0.100 0.000 1.102 803 T HN 0.199 nan 8.240 nan 0.000 0.469 804 V N 2.199 122.192 119.914 0.132 0.000 2.577 804 V HA 0.693 4.813 4.120 -0.001 0.000 0.303 804 V C -0.223 175.893 176.094 0.037 0.000 1.042 804 V CA -0.862 61.492 62.300 0.090 0.000 0.872 804 V CB 1.800 33.696 31.823 0.121 0.000 0.998 804 V HN 0.976 nan 8.190 nan 0.000 0.423 805 R N 4.506 125.022 120.500 0.026 0.000 2.476 805 R HA 0.656 4.996 4.340 -0.001 0.000 0.305 805 R C -1.660 174.644 176.300 0.006 0.000 0.965 805 R CA -0.675 55.433 56.100 0.013 0.000 0.867 805 R CB 1.580 31.889 30.300 0.014 0.000 1.176 805 R HN 0.734 nan 8.270 nan 0.000 0.447 806 L N 6.313 127.535 121.223 -0.002 0.000 2.313 806 L HA 0.485 4.824 4.340 -0.001 0.000 0.273 806 L C 0.459 177.326 176.870 -0.006 0.000 1.028 806 L CA -0.762 54.074 54.840 -0.007 0.000 0.871 806 L CB 0.970 43.018 42.059 -0.017 0.000 1.242 806 L HN 0.503 nan 8.230 nan 0.000 0.434 807 R N 1.217 121.717 120.500 -0.001 0.000 2.519 807 R HA 0.463 4.803 4.340 -0.001 0.000 0.244 807 R C 0.850 177.150 176.300 -0.000 0.000 1.241 807 R CA -0.843 55.257 56.100 0.001 0.000 1.120 807 R CB 0.492 30.795 30.300 0.004 0.000 1.333 807 R HN 0.307 nan 8.270 nan 0.000 0.587 808 R N 0.431 120.932 120.500 0.002 0.000 2.223 808 R HA -0.164 4.176 4.340 -0.001 0.000 0.229 808 R C 1.235 177.537 176.300 0.003 0.000 1.105 808 R CA 2.039 58.141 56.100 0.003 0.000 0.880 808 R CB -1.229 29.074 30.300 0.005 0.000 0.853 808 R HN 0.798 nan 8.270 nan 0.000 0.429 809 G N 2.068 110.871 108.800 0.006 0.000 2.789 809 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.281 809 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.281 809 G C -0.872 174.033 174.900 0.009 0.000 0.708 809 G CA -0.292 44.813 45.100 0.009 0.000 2.067 809 G HN 0.218 nan 8.290 nan 0.000 0.554 810 D N 2.474 122.877 120.400 0.005 0.000 2.434 810 D HA 0.063 4.703 4.640 -0.001 0.000 0.252 810 D C -0.747 175.561 176.300 0.013 0.000 1.185 810 D CA -0.841 53.159 54.000 -0.000 0.000 0.886 810 D CB 1.801 42.593 40.800 -0.013 0.000 1.148 810 D HN 0.166 nan 8.370 nan 0.000 0.483 811 P HA -0.043 nan 4.420 nan 0.000 0.212 811 P C 0.737 178.080 177.300 0.072 0.000 1.178 811 P CA 1.059 64.181 63.100 0.037 0.000 0.915 811 P CB 0.376 32.092 31.700 0.028 0.000 0.788 812 G N -1.576 107.254 108.800 0.051 0.000 5.602 812 G HA2 0.326 4.285 3.960 -0.001 0.000 0.197 812 G HA3 0.326 4.285 3.960 -0.001 0.000 0.197 812 G C -0.837 173.927 174.900 -0.226 0.000 0.705 812 G CA -0.060 45.101 45.100 0.102 0.000 0.662 812 G HN 0.380 nan 8.290 nan 0.000 0.365 813 V N -0.006 119.814 119.914 -0.157 0.000 2.837 813 V HA 0.835 4.955 4.120 -0.001 0.000 0.310 813 V C -0.746 175.239 176.094 -0.182 0.000 1.059 813 V CA -0.841 61.340 62.300 -0.198 0.000 1.004 813 V CB 1.866 33.626 31.823 -0.105 0.000 1.045 813 V HN 0.308 nan 8.190 nan 0.000 0.465 814 E N 5.430 125.517 120.200 -0.188 0.000 2.183 814 E HA 0.313 4.663 4.350 -0.001 0.000 0.250 814 E C -1.029 175.517 176.600 -0.090 0.000 0.901 814 E CA -0.691 55.627 56.400 -0.136 0.000 0.741 814 E CB 1.486 31.090 29.700 -0.161 0.000 1.182 814 E HN 0.611 nan 8.360 nan 0.000 0.425 815 L N 2.700 123.884 121.223 -0.064 0.000 2.319 815 L HA 0.237 4.577 4.340 -0.001 0.000 0.280 815 L C 0.309 177.156 176.870 -0.037 0.000 1.099 815 L CA -0.082 54.730 54.840 -0.045 0.000 0.828 815 L CB 0.579 42.618 42.059 -0.034 0.000 1.150 815 L HN 0.302 nan 8.230 nan 0.000 0.442 816 K N 5.121 125.501 120.400 -0.034 0.000 2.230 816 K HA 0.212 4.532 4.320 -0.001 0.000 0.253 816 K C -2.222 174.366 176.600 -0.021 0.000 1.008 816 K CA -1.231 55.040 56.287 -0.028 0.000 0.910 816 K CB -0.004 32.480 32.500 -0.027 0.000 0.994 816 K HN 0.428 nan 8.250 nan 0.000 0.495 817 P HA 0.001 nan 4.420 nan 0.000 0.272 817 P C 0.532 177.823 177.300 -0.014 0.000 1.223 817 P CA 0.406 63.497 63.100 -0.014 0.000 0.784 817 P CB 0.708 32.401 31.700 -0.012 0.000 0.923 818 G N 0.608 109.400 108.800 -0.013 0.000 2.507 818 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.240 818 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.240 818 G C 0.151 175.044 174.900 -0.012 0.000 1.119 818 G CA 0.259 45.351 45.100 -0.014 0.000 0.664 818 G HN 0.558 nan 8.290 nan 0.000 0.516 819 V N 3.152 123.058 119.914 -0.013 0.000 2.400 819 V HA 0.207 4.327 4.120 -0.001 0.000 0.263 819 V C 1.862 177.950 176.094 -0.011 0.000 1.026 819 V CA 1.110 63.403 62.300 -0.012 0.000 1.077 819 V CB 0.883 32.695 31.823 -0.017 0.000 1.054 819 V HN 0.559 nan 8.190 nan 0.000 0.477 820 R N 3.884 124.380 120.500 -0.006 0.000 2.066 820 R HA -0.037 4.302 4.340 -0.001 0.000 0.232 820 R C 0.760 177.057 176.300 -0.004 0.000 1.131 820 R CA 1.655 57.753 56.100 -0.003 0.000 0.955 820 R CB 0.402 30.704 30.300 0.003 0.000 0.851 820 R HN 0.863 nan 8.270 nan 0.000 0.432 821 E N -0.519 119.678 120.200 -0.005 0.000 2.388 821 E HA 0.229 4.578 4.350 -0.001 0.000 0.280 821 E C -1.574 175.021 176.600 -0.009 0.000 1.019 821 E CA -0.792 55.604 56.400 -0.007 0.000 0.806 821 E CB 1.902 31.602 29.700 -0.001 0.000 1.246 821 E HN 0.030 nan 8.360 nan 0.000 0.443 822 V N -0.279 119.627 119.914 -0.013 0.000 2.919 822 V HA 0.902 5.021 4.120 -0.001 0.000 0.316 822 V C -0.777 175.308 176.094 -0.015 0.000 1.077 822 V CA -0.563 61.727 62.300 -0.018 0.000 0.977 822 V CB 1.652 33.458 31.823 -0.027 0.000 1.039 822 V HN 0.541 nan 8.190 nan 0.000 0.441 823 V N 1.698 121.600 119.914 -0.019 0.000 2.509 823 V HA 0.589 4.708 4.120 -0.001 0.000 0.289 823 V C -0.214 175.859 176.094 -0.035 0.000 1.026 823 V CA -0.789 61.502 62.300 -0.015 0.000 0.872 823 V CB 1.024 32.845 31.823 -0.003 0.000 1.017 823 V HN 0.984 nan 8.190 nan 0.000 0.436 824 R N 2.492 122.957 120.500 -0.059 0.000 2.410 824 R HA 0.759 5.099 4.340 -0.001 0.000 0.288 824 R C -1.088 175.130 176.300 -0.137 0.000 1.051 824 R CA -0.560 55.441 56.100 -0.165 0.000 1.021 824 R CB 2.302 32.449 30.300 -0.254 0.000 1.032 824 R HN 0.571 nan 8.270 nan 0.000 0.481 825 V N 4.637 124.437 119.914 -0.190 0.000 2.439 825 V HA 0.196 4.315 4.120 -0.001 0.000 0.277 825 V C -1.168 174.873 176.094 -0.089 0.000 1.008 825 V CA -0.942 61.344 62.300 -0.023 0.000 0.846 825 V CB 0.574 32.472 31.823 0.125 0.000 1.031 825 V HN 0.583 nan 8.190 nan 0.000 0.441 826 Y N 3.031 123.313 120.300 -0.031 0.000 2.359 826 Y HA 0.584 5.133 4.550 -0.001 0.000 0.334 826 Y C 0.328 176.193 175.900 -0.058 0.000 1.058 826 Y CA -0.578 57.466 58.100 -0.095 0.000 1.244 826 Y CB 1.131 39.543 38.460 -0.080 0.000 1.187 826 Y HN 0.344 nan 8.280 nan 0.000 0.510 827 V N 2.827 122.756 119.914 0.025 0.000 2.769 827 V HA 0.900 5.020 4.120 -0.001 0.000 0.312 827 V C -0.320 175.798 176.094 0.040 0.000 1.061 827 V CA -0.939 61.408 62.300 0.078 0.000 0.931 827 V CB 1.813 33.771 31.823 0.225 0.000 1.010 827 V HN 0.889 nan 8.190 nan 0.000 0.433 828 A N 4.021 126.873 122.820 0.054 0.000 2.454 828 A HA 0.948 5.268 4.320 -0.001 0.000 0.302 828 A C -0.987 176.632 177.584 0.059 0.000 1.079 828 A CA -0.640 51.420 52.037 0.038 0.000 0.731 828 A CB 2.039 21.028 19.000 -0.019 0.000 1.299 828 A HN 0.905 nan 8.150 nan 0.000 0.413 829 Q N 0.786 120.635 119.800 0.082 0.000 2.377 829 Q HA 0.522 4.861 4.340 -0.001 0.000 0.279 829 Q C -1.538 174.507 176.000 0.073 0.000 1.049 829 Q CA -0.982 54.868 55.803 0.079 0.000 0.825 829 Q CB 1.705 30.507 28.738 0.107 0.000 1.401 829 Q HN 0.507 nan 8.270 nan 0.000 0.404 830 K N 2.091 122.521 120.400 0.050 0.000 2.316 830 K HA 0.276 4.596 4.320 -0.001 0.000 0.289 830 K C -0.522 176.109 176.600 0.052 0.000 1.070 830 K CA -0.477 55.836 56.287 0.044 0.000 0.928 830 K CB 0.848 33.365 32.500 0.030 0.000 1.039 830 K HN 0.441 nan 8.250 nan 0.000 0.480 831 R N 3.656 124.185 120.500 0.049 0.000 2.593 831 R HA 0.114 4.453 4.340 -0.001 0.000 0.282 831 R C -0.097 176.225 176.300 0.037 0.000 1.300 831 R CA -0.309 55.813 56.100 0.037 0.000 1.221 831 R CB 0.235 30.533 30.300 -0.003 0.000 1.157 831 R HN 0.260 nan 8.270 nan 0.000 0.555 832 K N 2.309 122.738 120.400 0.048 0.000 2.379 832 K HA 0.022 4.342 4.320 -0.001 0.000 0.284 832 K C 0.357 176.989 176.600 0.053 0.000 1.044 832 K CA -0.558 55.764 56.287 0.059 0.000 0.974 832 K CB 0.799 33.331 32.500 0.055 0.000 0.962 832 K HN 0.214 nan 8.250 nan 0.000 0.474 833 L N 4.832 126.100 121.223 0.075 0.000 2.700 833 L HA -0.176 4.164 4.340 -0.001 0.000 0.276 833 L C 0.076 176.971 176.870 0.042 0.000 1.200 833 L CA 1.139 56.008 54.840 0.047 0.000 0.951 833 L CB -0.204 41.929 42.059 0.123 0.000 1.226 833 L HN 0.576 nan 8.230 nan 0.000 0.489 834 Q N 2.872 122.688 119.800 0.026 0.000 2.495 834 Q HA 0.409 4.749 4.340 -0.001 0.000 0.283 834 Q C 0.630 176.652 176.000 0.037 0.000 1.097 834 Q CA -0.566 55.260 55.803 0.039 0.000 0.836 834 Q CB 1.250 30.021 28.738 0.054 0.000 1.426 834 Q HN 0.292 nan 8.270 nan 0.000 0.459 835 V N 1.421 121.358 119.914 0.038 0.000 2.453 835 V HA -0.202 3.917 4.120 -0.001 0.000 0.252 835 V C 1.584 177.708 176.094 0.050 0.000 1.068 835 V CA 2.840 65.164 62.300 0.040 0.000 1.070 835 V CB -0.918 30.930 31.823 0.042 0.000 0.664 835 V HN 0.969 nan 8.190 nan 0.000 0.461 836 G N -1.006 107.835 108.800 0.068 0.000 2.448 836 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.218 836 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.218 836 G C 0.422 175.413 174.900 0.152 0.000 1.135 836 G CA 0.516 45.665 45.100 0.083 0.000 0.784 836 G HN 0.602 nan 8.290 nan 0.000 0.543 837 D N 0.023 120.509 120.400 0.143 0.000 2.360 837 D HA 0.438 5.078 4.640 -0.001 0.000 0.242 837 D C 0.466 176.754 176.300 -0.020 0.000 1.184 837 D CA 0.251 54.267 54.000 0.027 0.000 0.930 837 D CB 0.741 41.398 40.800 -0.238 0.000 1.161 837 D HN 0.393 nan 8.370 nan 0.000 0.447 838 K N 0.411 120.766 120.400 -0.076 0.000 2.316 838 K HA 0.733 5.052 4.320 -0.001 0.000 0.251 838 K C -1.124 175.393 176.600 -0.139 0.000 0.934 838 K CA -0.983 55.261 56.287 -0.073 0.000 0.802 838 K CB 1.471 33.953 32.500 -0.030 0.000 1.171 838 K HN 0.450 nan 8.250 nan 0.000 0.426 839 L N -1.302 119.842 121.223 -0.132 0.000 2.376 839 L HA 0.988 5.328 4.340 -0.001 0.000 0.258 839 L C -1.102 175.700 176.870 -0.114 0.000 1.013 839 L CA -1.165 53.570 54.840 -0.176 0.000 0.822 839 L CB 2.316 44.225 42.059 -0.251 0.000 1.388 839 L HN 0.892 nan 8.230 nan 0.000 0.413 840 A N 1.076 123.826 122.820 -0.118 0.000 2.589 840 A HA 0.541 4.861 4.320 -0.001 0.000 0.296 840 A C -1.443 176.099 177.584 -0.070 0.000 1.062 840 A CA -0.745 51.252 52.037 -0.066 0.000 0.686 840 A CB 1.549 20.525 19.000 -0.041 0.000 1.282 840 A HN 0.988 nan 8.150 nan 0.000 0.404 841 N N 0.534 119.225 118.700 -0.014 0.000 2.495 841 N HA 0.344 5.083 4.740 -0.001 0.000 0.280 841 N C 0.442 175.964 175.510 0.020 0.000 1.168 841 N CA -0.808 52.250 53.050 0.013 0.000 0.978 841 N CB 1.237 39.782 38.487 0.098 0.000 1.191 841 N HN 0.637 nan 8.380 nan 0.000 0.497 842 R N -0.339 120.165 120.500 0.006 0.000 2.170 842 R HA -0.164 4.175 4.340 -0.001 0.000 0.242 842 R C 1.538 177.788 176.300 -0.083 0.000 1.145 842 R CA 1.429 57.501 56.100 -0.047 0.000 0.984 842 R CB -0.408 29.849 30.300 -0.072 0.000 0.869 842 R HN 0.628 nan 8.270 nan 0.000 0.455 843 H N -1.746 117.365 119.070 0.068 0.000 2.284 843 H HA 0.012 4.567 4.556 -0.001 0.000 0.304 843 H C 1.701 177.052 175.328 0.038 0.000 1.069 843 H CA 1.861 57.941 56.048 0.054 0.000 1.327 843 H CB 0.222 30.020 29.762 0.060 0.000 1.387 843 H HN 0.482 nan 8.280 nan 0.000 0.498 844 G N -0.683 108.209 108.800 0.155 0.000 4.226 844 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.220 844 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.220 844 G C -0.078 174.857 174.900 0.058 0.000 0.817 844 G CA -0.521 44.631 45.100 0.086 0.000 0.879 844 G HN 0.122 nan 8.290 nan 0.000 0.669 845 N N 1.588 120.328 118.700 0.066 0.000 2.416 845 N HA 0.231 4.971 4.740 -0.001 0.000 0.271 845 N C -0.189 175.331 175.510 0.016 0.000 1.245 845 N CA 0.557 53.628 53.050 0.034 0.000 0.940 845 N CB 0.993 39.503 38.487 0.038 0.000 1.175 845 N HN 0.443 nan 8.380 nan 0.000 0.483 846 K N 1.254 121.657 120.400 0.005 0.000 2.156 846 K HA 0.726 5.045 4.320 -0.001 0.000 0.250 846 K C -0.345 176.249 176.600 -0.010 0.000 0.955 846 K CA -0.728 55.555 56.287 -0.007 0.000 0.855 846 K CB 1.318 33.816 32.500 -0.004 0.000 1.101 846 K HN 0.532 nan 8.250 nan 0.000 0.434 847 G N 0.664 109.454 108.800 -0.016 0.000 2.411 847 G HA2 0.345 4.305 3.960 -0.001 0.000 0.295 847 G HA3 0.345 4.305 3.960 -0.001 0.000 0.295 847 G C -1.877 173.016 174.900 -0.012 0.000 1.542 847 G CA -0.724 44.371 45.100 -0.008 0.000 0.814 847 G HN 0.441 nan 8.290 nan 0.000 0.557 848 V N 0.064 119.981 119.914 0.005 0.000 2.732 848 V HA 0.573 4.692 4.120 -0.001 0.000 0.310 848 V C 0.499 176.604 176.094 0.018 0.000 1.053 848 V CA -0.849 61.456 62.300 0.008 0.000 0.957 848 V CB 1.916 33.753 31.823 0.023 0.000 1.018 848 V HN 0.662 nan 8.190 nan 0.000 0.452 849 V N 3.211 123.131 119.914 0.011 0.000 2.470 849 V HA 0.266 4.386 4.120 -0.001 0.000 0.276 849 V C 1.047 177.171 176.094 0.049 0.000 1.040 849 V CA 0.929 63.241 62.300 0.020 0.000 1.008 849 V CB 0.769 32.595 31.823 0.004 0.000 0.990 849 V HN 1.100 nan 8.190 nan 0.000 0.477 850 A N 5.459 128.326 122.820 0.078 0.000 2.063 850 A HA 0.296 4.616 4.320 -0.001 0.000 0.211 850 A C 0.910 178.577 177.584 0.139 0.000 1.177 850 A CA 0.381 52.497 52.037 0.132 0.000 0.759 850 A CB 0.245 19.365 19.000 0.199 0.000 0.857 850 A HN 0.668 nan 8.150 nan 0.000 0.468 851 K N 0.267 120.702 120.400 0.058 0.000 2.571 851 K HA 0.445 4.765 4.320 -0.001 0.000 0.252 851 K C -1.873 174.659 176.600 -0.114 0.000 0.956 851 K CA -0.720 55.536 56.287 -0.050 0.000 0.822 851 K CB 0.994 33.345 32.500 -0.249 0.000 1.286 851 K HN 0.104 nan 8.250 nan 0.000 0.439 852 I N 3.459 123.977 120.570 -0.086 0.000 2.260 852 I HA 0.252 4.422 4.170 -0.001 0.000 0.297 852 I C -0.416 175.632 176.117 -0.116 0.000 1.143 852 I CA -0.447 60.804 61.300 -0.081 0.000 1.271 852 I CB -0.073 37.906 38.000 -0.036 0.000 1.461 852 I HN 0.361 nan 8.210 nan 0.000 0.530 853 L N 8.440 129.564 121.223 -0.166 0.000 2.426 853 L HA 0.442 4.782 4.340 -0.001 0.000 0.271 853 L C -2.033 174.773 176.870 -0.108 0.000 1.169 853 L CA -1.068 53.670 54.840 -0.170 0.000 0.836 853 L CB 0.192 42.104 42.059 -0.244 0.000 1.112 853 L HN 0.376 nan 8.230 nan 0.000 0.465 854 P HA 0.029 nan 4.420 nan 0.000 0.275 854 P C 0.672 177.935 177.300 -0.062 0.000 1.227 854 P CA -0.274 62.791 63.100 -0.058 0.000 0.781 854 P CB 1.017 32.691 31.700 -0.042 0.000 0.906 855 V N 3.283 123.163 119.914 -0.057 0.000 2.660 855 V HA -0.292 3.828 4.120 -0.001 0.000 0.257 855 V C 1.620 177.676 176.094 -0.064 0.000 1.088 855 V CA 2.066 64.331 62.300 -0.058 0.000 1.106 855 V CB -1.010 30.785 31.823 -0.048 0.000 0.686 855 V HN 0.542 nan 8.190 nan 0.000 0.481 856 E N 0.852 121.017 120.200 -0.057 0.000 2.097 856 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 856 E C 1.430 177.973 176.600 -0.095 0.000 1.000 856 E CA 1.748 58.111 56.400 -0.062 0.000 0.804 856 E CB -0.127 29.548 29.700 -0.041 0.000 0.740 856 E HN 0.964 nan 8.360 nan 0.000 0.454 857 D N -0.995 119.360 120.400 -0.074 0.000 2.527 857 D HA 0.056 4.696 4.640 -0.001 0.000 0.224 857 D C 0.488 176.778 176.300 -0.017 0.000 1.217 857 D CA -0.291 53.668 54.000 -0.069 0.000 0.819 857 D CB -0.462 40.333 40.800 -0.007 0.000 1.061 857 D HN 0.159 nan 8.370 nan 0.000 0.515 858 M N -0.151 119.433 119.600 -0.026 0.000 2.228 858 M HA 0.498 4.978 4.480 -0.001 0.000 0.326 858 M C -2.365 173.967 176.300 0.053 0.000 1.122 858 M CA -1.389 53.936 55.300 0.042 0.000 1.161 858 M CB 0.606 33.160 32.600 -0.076 0.000 1.437 858 M HN -0.410 nan 8.290 nan 0.000 0.465 859 P HA -0.090 nan 4.420 nan 0.000 0.257 859 P C -1.648 175.816 177.300 0.272 0.000 1.153 859 P CA 1.026 64.277 63.100 0.250 0.000 0.762 859 P CB -0.413 31.432 31.700 0.241 0.000 0.743 860 H N 1.609 120.771 119.070 0.152 0.000 2.572 860 H HA 0.585 5.141 4.556 -0.001 0.000 0.359 860 H C -0.349 175.105 175.328 0.211 0.000 1.134 860 H CA -1.574 54.549 56.048 0.126 0.000 1.187 860 H CB 1.160 30.957 29.762 0.058 0.000 1.597 860 H HN 0.252 nan 8.280 nan 0.000 0.524 861 L N 2.954 124.305 121.223 0.213 0.000 2.472 861 L HA 0.159 4.498 4.340 -0.001 0.000 0.260 861 L C -1.486 175.463 176.870 0.131 0.000 1.209 861 L CA -1.881 53.089 54.840 0.216 0.000 0.817 861 L CB 0.974 43.155 42.059 0.203 0.000 1.106 861 L HN 0.516 nan 8.230 nan 0.000 0.479 862 P HA -0.194 nan 4.420 nan 0.000 0.216 862 P C -0.631 176.618 177.300 -0.084 0.000 1.167 862 P CA 1.346 64.572 63.100 0.210 0.000 0.914 862 P CB -0.035 31.863 31.700 0.329 0.000 0.793 863 D N -1.627 118.744 120.400 -0.047 0.000 2.382 863 D HA 0.117 4.756 4.640 -0.001 0.000 0.245 863 D C 1.629 177.908 176.300 -0.036 0.000 1.120 863 D CA 0.229 54.196 54.000 -0.054 0.000 0.890 863 D CB 0.354 41.135 40.800 -0.032 0.000 1.201 863 D HN -0.007 nan 8.370 nan 0.000 0.433 864 G N 2.670 111.445 108.800 -0.041 0.000 2.743 864 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.222 864 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.222 864 G C 0.769 175.697 174.900 0.046 0.000 1.085 864 G CA 1.357 46.456 45.100 -0.003 0.000 0.716 864 G HN 0.726 nan 8.290 nan 0.000 0.604 865 T N 0.877 115.461 114.554 0.051 0.000 2.765 865 T HA 0.416 4.766 4.350 -0.001 0.000 0.284 865 T C -2.481 172.268 174.700 0.082 0.000 0.946 865 T CA -1.444 60.693 62.100 0.061 0.000 1.185 865 T CB 1.541 70.442 68.868 0.055 0.000 0.887 865 T HN 0.057 nan 8.240 nan 0.000 0.532 866 P HA 0.431 nan 4.420 nan 0.000 0.290 866 P C 0.197 177.524 177.300 0.045 0.000 1.275 866 P CA -0.942 62.209 63.100 0.085 0.000 0.841 866 P CB 1.097 32.829 31.700 0.054 0.000 1.042 867 V N -0.441 119.505 119.914 0.055 0.000 2.924 867 V HA 0.192 4.312 4.120 -0.001 0.000 0.305 867 V C 0.369 176.461 176.094 -0.004 0.000 1.073 867 V CA 0.373 62.693 62.300 0.033 0.000 1.098 867 V CB 0.118 31.970 31.823 0.048 0.000 1.000 867 V HN 0.367 nan 8.190 nan 0.000 0.484 868 D N 1.579 121.976 120.400 -0.005 0.000 2.338 868 D HA 0.227 4.867 4.640 -0.001 0.000 0.224 868 D C 0.315 176.605 176.300 -0.016 0.000 0.967 868 D CA 0.837 54.819 54.000 -0.030 0.000 0.896 868 D CB 0.677 41.450 40.800 -0.045 0.000 1.028 868 D HN 0.519 nan 8.370 nan 0.000 0.493 869 V N 0.686 120.607 119.914 0.012 0.000 2.823 869 V HA 0.486 4.606 4.120 -0.001 0.000 0.312 869 V C -1.656 174.431 176.094 -0.011 0.000 1.072 869 V CA -0.853 61.448 62.300 0.001 0.000 0.937 869 V CB 1.989 33.843 31.823 0.051 0.000 1.013 869 V HN -0.038 nan 8.190 nan 0.000 0.430 870 I N 6.942 127.483 120.570 -0.048 0.000 2.382 870 I HA 0.420 4.590 4.170 -0.001 0.000 0.285 870 I C -0.452 175.674 176.117 0.015 0.000 1.007 870 I CA -0.244 61.042 61.300 -0.023 0.000 1.142 870 I CB 1.492 39.435 38.000 -0.096 0.000 1.289 870 I HN 0.363 nan 8.210 nan 0.000 0.453 871 L N 5.267 126.511 121.223 0.034 0.000 2.307 871 L HA 0.365 4.705 4.340 -0.001 0.000 0.282 871 L C 0.293 177.189 176.870 0.044 0.000 1.051 871 L CA -0.611 54.250 54.840 0.034 0.000 0.804 871 L CB 1.299 43.373 42.059 0.025 0.000 1.197 871 L HN 0.541 nan 8.230 nan 0.000 0.431 872 N N 4.015 122.739 118.700 0.040 0.000 2.452 872 N HA 0.103 4.842 4.740 -0.001 0.000 0.266 872 N C -1.877 173.637 175.510 0.007 0.000 1.175 872 N CA -1.300 51.771 53.050 0.035 0.000 0.945 872 N CB 1.272 39.771 38.487 0.020 0.000 1.063 872 N HN 0.246 nan 8.380 nan 0.000 0.472 873 P HA -0.060 nan 4.420 nan 0.000 0.217 873 P C 1.343 178.628 177.300 -0.024 0.000 1.150 873 P CA 0.911 64.006 63.100 -0.008 0.000 0.832 873 P CB 0.238 31.938 31.700 0.000 0.000 0.787 874 L N -1.050 120.156 121.223 -0.029 0.000 2.129 874 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 874 L C 2.330 179.164 176.870 -0.059 0.000 1.087 874 L CA 1.726 56.537 54.840 -0.048 0.000 0.757 874 L CB -1.391 40.627 42.059 -0.069 0.000 0.896 874 L HN 0.071 nan 8.230 nan 0.000 0.434 875 G N -1.469 107.295 108.800 -0.060 0.000 2.848 875 G HA2 0.059 4.019 3.960 -0.001 0.000 0.208 875 G HA3 0.059 4.019 3.960 -0.001 0.000 0.208 875 G C 1.264 176.139 174.900 -0.040 0.000 1.152 875 G CA 0.429 45.495 45.100 -0.057 0.000 0.789 875 G HN 0.246 nan 8.290 nan 0.000 0.531 876 V N 0.962 120.852 119.914 -0.040 0.000 2.788 876 V HA 0.053 4.173 4.120 -0.001 0.000 0.241 876 V C 0.143 176.213 176.094 -0.039 0.000 1.083 876 V CA 0.796 63.071 62.300 -0.042 0.000 1.103 876 V CB 0.029 31.822 31.823 -0.051 0.000 0.800 876 V HN 0.149 nan 8.190 nan 0.000 0.476 877 P HA -0.150 nan 4.420 nan 0.000 0.213 877 P C 1.986 179.271 177.300 -0.024 0.000 1.170 877 P CA 2.458 65.540 63.100 -0.030 0.000 0.893 877 P CB -0.243 31.440 31.700 -0.028 0.000 0.784 878 S N 0.646 116.331 115.700 -0.025 0.000 2.392 878 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 878 S C 1.255 175.848 174.600 -0.012 0.000 1.041 878 S CA 0.805 58.993 58.200 -0.019 0.000 1.100 878 S CB -1.503 61.681 63.200 -0.026 0.000 1.029 878 S HN 0.023 nan 8.310 nan 0.000 0.424 879 R N 1.090 121.582 120.500 -0.014 0.000 2.784 879 R HA 0.476 4.816 4.340 -0.001 0.000 0.266 879 R C -0.258 176.039 176.300 -0.004 0.000 1.044 879 R CA 0.528 56.626 56.100 -0.004 0.000 1.151 879 R CB -0.087 30.211 30.300 -0.003 0.000 1.037 879 R HN 0.466 nan 8.270 nan 0.000 0.478 880 M N 2.631 122.235 119.600 0.007 0.000 2.006 880 M HA 0.270 4.750 4.480 -0.001 0.000 0.314 880 M C -0.962 175.341 176.300 0.005 0.000 0.926 880 M CA 0.091 55.393 55.300 0.004 0.000 0.906 880 M CB 0.752 33.361 32.600 0.016 0.000 1.422 880 M HN 0.697 nan 8.290 nan 0.000 0.397 881 N N 3.064 121.747 118.700 -0.029 0.000 2.751 881 N HA 0.227 4.967 4.740 -0.001 0.000 0.238 881 N C -0.261 175.153 175.510 -0.161 0.000 1.351 881 N CA -0.471 52.539 53.050 -0.067 0.000 0.751 881 N CB 0.750 39.211 38.487 -0.042 0.000 1.342 881 N HN 0.519 nan 8.380 nan 0.000 0.540 882 L N 0.788 121.927 121.223 -0.140 0.000 2.376 882 L HA 0.062 4.401 4.340 -0.001 0.000 0.219 882 L C 2.538 179.203 176.870 -0.341 0.000 1.133 882 L CA 1.134 55.847 54.840 -0.212 0.000 0.816 882 L CB -0.206 41.735 42.059 -0.196 0.000 0.933 882 L HN 0.766 nan 8.230 nan 0.000 0.449 883 G N 0.196 108.779 108.800 -0.362 0.000 2.503 883 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.221 883 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.221 883 G C 1.428 175.875 174.900 -0.754 0.000 1.131 883 G CA 0.816 45.620 45.100 -0.494 0.000 0.756 883 G HN 0.519 nan 8.290 nan 0.000 0.572 884 Q N -0.157 119.110 119.800 -0.887 0.000 2.079 884 Q HA 0.031 4.370 4.340 -0.001 0.000 0.200 884 Q C 2.417 178.289 176.000 -0.213 0.000 0.974 884 Q CA 0.863 56.491 55.803 -0.292 0.000 0.840 884 Q CB -0.218 28.447 28.738 -0.122 0.000 0.898 884 Q HN 0.406 nan 8.270 nan 0.000 0.430 885 I N 0.511 120.895 120.570 -0.309 0.000 2.676 885 I HA -0.136 4.033 4.170 -0.001 0.000 0.259 885 I C 2.028 177.794 176.117 -0.584 0.000 1.194 885 I CA 0.762 61.819 61.300 -0.405 0.000 1.473 885 I CB -0.583 37.243 38.000 -0.291 0.000 1.096 885 I HN 0.220 nan 8.210 nan 0.000 0.443 886 L N 0.835 121.759 121.223 -0.498 0.000 2.131 886 L HA -0.091 4.248 4.340 -0.001 0.000 0.206 886 L C 2.528 179.114 176.870 -0.474 0.000 1.087 886 L CA 1.466 55.930 54.840 -0.627 0.000 0.767 886 L CB -0.458 40.928 42.059 -1.123 0.000 0.917 886 L HN 0.211 nan 8.230 nan 0.000 0.441 887 E N -1.270 118.846 120.200 -0.140 0.000 2.072 887 E HA -0.211 4.138 4.350 -0.001 0.000 0.191 887 E C 1.750 178.419 176.600 0.115 0.000 0.985 887 E CA 1.706 58.288 56.400 0.303 0.000 0.801 887 E CB 0.006 29.977 29.700 0.452 0.000 0.750 887 E HN 0.477 nan 8.360 nan 0.000 0.452 888 T N -0.148 114.370 114.554 -0.060 0.000 2.720 888 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 888 T C 1.421 176.115 174.700 -0.011 0.000 1.037 888 T CA 1.794 63.852 62.100 -0.071 0.000 1.144 888 T CB -0.508 68.225 68.868 -0.225 0.000 0.864 888 T HN 0.443 nan 8.240 nan 0.000 0.444 889 H N 0.349 119.409 119.070 -0.017 0.000 2.299 889 H HA 0.134 4.689 4.556 -0.001 0.000 0.302 889 H C 2.397 177.736 175.328 0.018 0.000 1.078 889 H CA 0.999 57.026 56.048 -0.035 0.000 1.323 889 H CB -0.176 29.523 29.762 -0.105 0.000 1.381 889 H HN 0.136 nan 8.280 nan 0.000 0.498 890 L N 0.707 122.006 121.223 0.128 0.000 2.042 890 L HA -0.130 4.209 4.340 -0.001 0.000 0.210 890 L C 2.496 179.427 176.870 0.101 0.000 1.076 890 L CA 1.552 56.413 54.840 0.036 0.000 0.749 890 L CB -0.573 41.512 42.059 0.043 0.000 0.893 890 L HN 0.353 nan 8.230 nan 0.000 0.432 891 G N 0.218 109.131 108.800 0.189 0.000 2.440 891 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.218 891 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.218 891 G C 1.493 176.601 174.900 0.346 0.000 1.154 891 G CA 0.928 46.194 45.100 0.277 0.000 0.767 891 G HN 0.417 nan 8.290 nan 0.000 0.552 892 L N 1.632 123.031 121.223 0.294 0.000 1.990 892 L HA 0.025 4.365 4.340 -0.001 0.000 0.213 892 L C 2.976 180.136 176.870 0.483 0.000 1.072 892 L CA 2.494 57.537 54.840 0.337 0.000 0.755 892 L CB -1.062 41.106 42.059 0.181 0.000 0.889 892 L HN 0.237 nan 8.230 nan 0.000 0.432 893 A N -0.234 122.837 122.820 0.419 0.000 1.883 893 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 893 A C 2.387 180.303 177.584 0.553 0.000 1.186 893 A CA 1.780 54.102 52.037 0.474 0.000 0.624 893 A CB -1.769 17.448 19.000 0.362 0.000 0.822 893 A HN 0.589 nan 8.150 nan 0.000 0.444 894 G N -2.149 107.013 108.800 0.604 0.000 2.462 894 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.220 894 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.220 894 G C 1.463 176.596 174.900 0.388 0.000 1.121 894 G CA 1.242 46.690 45.100 0.580 0.000 0.758 894 G HN 0.615 nan 8.290 nan 0.000 0.559 895 Y N 0.116 120.627 120.300 0.353 0.000 2.092 895 Y HA -0.029 4.520 4.550 -0.001 0.000 0.282 895 Y C 2.318 178.317 175.900 0.166 0.000 1.126 895 Y CA 1.673 59.927 58.100 0.257 0.000 1.111 895 Y CB -0.166 38.497 38.460 0.338 0.000 0.987 895 Y HN 0.152 nan 8.280 nan 0.000 0.489 896 F N -0.869 119.423 119.950 0.570 0.000 2.558 896 F HA -0.064 4.463 4.527 -0.001 0.000 0.298 896 F C 1.607 177.563 175.800 0.259 0.000 1.119 896 F CA 0.756 59.012 58.000 0.427 0.000 1.451 896 F CB -0.176 39.094 39.000 0.450 0.000 1.091 896 F HN 0.071 nan 8.300 nan 0.000 0.563 897 L N -0.771 120.679 121.223 0.378 0.000 2.529 897 L HA 0.295 4.634 4.340 -0.001 0.000 0.223 897 L C 1.433 178.376 176.870 0.121 0.000 1.113 897 L CA 0.470 55.456 54.840 0.244 0.000 0.861 897 L CB -0.661 41.563 42.059 0.276 0.000 1.012 897 L HN 0.117 nan 8.230 nan 0.000 0.461 898 G N 1.049 109.899 108.800 0.083 0.000 2.367 898 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.295 898 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.295 898 G C -0.045 174.826 174.900 -0.047 0.000 1.019 898 G CA 0.735 45.824 45.100 -0.019 0.000 1.224 898 G HN 0.543 nan 8.290 nan 0.000 0.510 899 Q N -1.272 118.479 119.800 -0.082 0.000 2.527 899 Q HA 0.725 5.065 4.340 -0.001 0.000 0.280 899 Q C -0.412 175.334 176.000 -0.423 0.000 0.977 899 Q CA -1.429 54.229 55.803 -0.241 0.000 0.837 899 Q CB 1.519 30.066 28.738 -0.318 0.000 1.454 899 Q HN 0.236 nan 8.270 nan 0.000 0.387 900 R N 0.937 121.187 120.500 -0.417 0.000 2.674 900 R HA 0.624 4.964 4.340 -0.001 0.000 0.266 900 R C -0.857 175.113 176.300 -0.551 0.000 1.016 900 R CA -0.551 55.342 56.100 -0.346 0.000 1.062 900 R CB 0.458 30.664 30.300 -0.156 0.000 1.142 900 R HN 0.701 nan 8.270 nan 0.000 0.517 901 Y N -0.821 119.491 120.300 0.020 0.000 2.698 901 Y HA 0.596 5.145 4.550 -0.001 0.000 0.332 901 Y C 0.050 175.968 175.900 0.030 0.000 1.119 901 Y CA -1.212 56.941 58.100 0.090 0.000 1.109 901 Y CB 1.572 40.268 38.460 0.394 0.000 1.308 901 Y HN 0.312 nan 8.280 nan 0.000 0.499 902 I N 1.201 121.974 120.570 0.338 0.000 2.603 902 I HA 0.182 4.352 4.170 -0.001 0.000 0.276 902 I C -0.873 175.368 176.117 0.207 0.000 1.133 902 I CA -0.251 61.123 61.300 0.124 0.000 1.070 902 I CB 1.474 39.473 38.000 -0.001 0.000 1.215 902 I HN 0.497 nan 8.210 nan 0.000 0.487 903 S N 7.079 122.756 115.700 -0.039 0.000 2.410 903 S HA 0.528 4.997 4.470 -0.001 0.000 0.304 903 S C -2.349 172.107 174.600 -0.240 0.000 1.095 903 S CA -1.331 56.739 58.200 -0.216 0.000 1.089 903 S CB 0.728 63.529 63.200 -0.665 0.000 0.968 903 S HN 0.146 nan 8.310 nan 0.000 0.480 904 P HA 0.073 nan 4.420 nan 0.000 0.271 904 P C 0.976 178.155 177.300 -0.201 0.000 1.238 904 P CA -0.391 62.641 63.100 -0.113 0.000 0.794 904 P CB 0.381 32.070 31.700 -0.018 0.000 0.959 905 I N -0.345 120.082 120.570 -0.238 0.000 2.052 905 I HA -0.236 3.934 4.170 -0.001 0.000 0.235 905 I C 1.852 177.611 176.117 -0.596 0.000 1.046 905 I CA 2.182 63.196 61.300 -0.477 0.000 1.308 905 I CB -0.968 36.730 38.000 -0.503 0.000 1.031 905 I HN 0.380 nan 8.210 nan 0.000 0.395 906 F N -1.410 118.503 119.950 -0.062 0.000 2.728 906 F HA 0.115 4.642 4.527 -0.001 0.000 0.314 906 F C 1.608 177.402 175.800 -0.010 0.000 1.094 906 F CA 0.125 58.102 58.000 -0.038 0.000 1.217 906 F CB 0.214 39.221 39.000 0.013 0.000 1.056 906 F HN 0.098 nan 8.300 nan 0.000 0.577 907 D N -0.226 120.260 120.400 0.144 0.000 2.398 907 D HA 0.149 4.788 4.640 -0.001 0.000 0.210 907 D C 1.807 178.154 176.300 0.077 0.000 1.094 907 D CA 0.439 54.509 54.000 0.117 0.000 0.839 907 D CB 0.064 40.933 40.800 0.115 0.000 0.963 907 D HN 0.094 nan 8.370 nan 0.000 0.506 908 G N 0.674 109.486 108.800 0.020 0.000 2.090 908 G HA2 0.187 4.147 3.960 -0.001 0.000 0.525 908 G HA3 0.187 4.147 3.960 -0.001 0.000 0.525 908 G C 0.464 175.340 174.900 -0.041 0.000 1.411 908 G CA 0.264 45.343 45.100 -0.034 0.000 1.069 908 G HN 0.430 nan 8.290 nan 0.000 0.522 909 A N -1.351 121.325 122.820 -0.240 0.000 2.351 909 A HA 0.642 4.962 4.320 -0.001 0.000 0.257 909 A C 0.217 177.782 177.584 -0.032 0.000 1.087 909 A CA 0.111 51.910 52.037 -0.396 0.000 0.798 909 A CB 0.892 19.349 19.000 -0.906 0.000 1.033 909 A HN 0.492 nan 8.150 nan 0.000 0.488 910 K N -0.370 120.019 120.400 -0.017 0.000 2.281 910 K HA 0.402 4.721 4.320 -0.001 0.000 0.242 910 K C 0.745 177.346 176.600 0.002 0.000 0.971 910 K CA -0.450 55.861 56.287 0.039 0.000 0.834 910 K CB 1.564 34.101 32.500 0.062 0.000 1.181 910 K HN 0.700 nan 8.250 nan 0.000 0.435 911 E N 1.669 121.861 120.200 -0.015 0.000 2.097 911 E HA -0.144 4.205 4.350 -0.001 0.000 0.196 911 E C -1.276 175.310 176.600 -0.024 0.000 1.000 911 E CA 2.098 58.467 56.400 -0.051 0.000 0.804 911 E CB -0.512 29.149 29.700 -0.065 0.000 0.740 911 E HN 0.474 nan 8.360 nan 0.000 0.454 912 P HA -0.151 nan 4.420 nan 0.000 0.214 912 P C 0.620 177.945 177.300 0.041 0.000 1.162 912 P CA 1.778 64.888 63.100 0.017 0.000 0.879 912 P CB -0.089 31.628 31.700 0.028 0.000 0.786 913 E N -0.651 119.591 120.200 0.069 0.000 2.118 913 E HA -0.188 4.162 4.350 -0.001 0.000 0.195 913 E C 1.826 178.502 176.600 0.127 0.000 0.992 913 E CA 1.032 57.509 56.400 0.128 0.000 0.804 913 E CB -0.950 28.871 29.700 0.202 0.000 0.741 913 E HN 0.181 nan 8.360 nan 0.000 0.458 914 I N 1.355 121.961 120.570 0.059 0.000 2.394 914 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 914 I C 1.972 178.118 176.117 0.050 0.000 1.136 914 I CA 1.165 62.491 61.300 0.043 0.000 1.425 914 I CB -0.093 37.891 38.000 -0.027 0.000 1.079 914 I HN -0.108 nan 8.210 nan 0.000 0.425 915 K N 0.132 120.545 120.400 0.021 0.000 2.147 915 K HA -0.204 4.116 4.320 -0.001 0.000 0.205 915 K C 1.991 178.619 176.600 0.046 0.000 1.049 915 K CA 1.109 57.402 56.287 0.010 0.000 0.936 915 K CB -0.388 32.102 32.500 -0.017 0.000 0.722 915 K HN 0.364 nan 8.250 nan 0.000 0.446 916 E N 1.060 121.302 120.200 0.070 0.000 2.006 916 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 916 E C 1.982 178.654 176.600 0.120 0.000 0.993 916 E CA 1.170 57.623 56.400 0.088 0.000 0.808 916 E CB -0.341 29.422 29.700 0.105 0.000 0.764 916 E HN 0.158 nan 8.360 nan 0.000 0.449 917 L N 0.073 121.394 121.223 0.162 0.000 2.043 917 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 917 L C 2.545 179.539 176.870 0.207 0.000 1.075 917 L CA 0.879 55.845 54.840 0.210 0.000 0.752 917 L CB -0.649 41.571 42.059 0.268 0.000 0.891 917 L HN 0.225 nan 8.230 nan 0.000 0.432 918 L N -0.054 121.283 121.223 0.190 0.000 2.079 918 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 918 L C 2.685 179.647 176.870 0.154 0.000 1.081 918 L CA 1.997 56.982 54.840 0.242 0.000 0.752 918 L CB -0.920 41.269 42.059 0.217 0.000 0.896 918 L HN 0.229 nan 8.230 nan 0.000 0.433 919 A N -1.649 121.227 122.820 0.093 0.000 1.940 919 A HA -0.289 4.030 4.320 -0.001 0.000 0.219 919 A C 2.261 179.891 177.584 0.077 0.000 1.176 919 A CA 1.847 53.912 52.037 0.046 0.000 0.631 919 A CB -0.516 18.506 19.000 0.037 0.000 0.814 919 A HN 0.558 nan 8.150 nan 0.000 0.446 920 Q N -1.049 118.817 119.800 0.109 0.000 2.167 920 Q HA 0.013 4.352 4.340 -0.001 0.000 0.202 920 Q C 2.253 178.332 176.000 0.131 0.000 0.970 920 Q CA 1.142 57.018 55.803 0.122 0.000 0.855 920 Q CB -0.282 28.544 28.738 0.145 0.000 0.911 920 Q HN 0.700 nan 8.270 nan 0.000 0.438 921 A N -0.285 122.620 122.820 0.142 0.000 1.929 921 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 921 A C 1.715 179.219 177.584 -0.133 0.000 1.176 921 A CA 0.695 52.823 52.037 0.150 0.000 0.628 921 A CB -0.628 18.556 19.000 0.307 0.000 0.816 921 A HN 0.472 nan 8.150 nan 0.000 0.444 922 F N 0.739 120.358 119.950 -0.552 0.000 2.216 922 F HA -0.118 4.408 4.527 -0.001 0.000 0.300 922 F C 2.114 177.797 175.800 -0.196 0.000 1.085 922 F CA 1.901 59.457 58.000 -0.741 0.000 1.326 922 F CB -0.022 38.603 39.000 -0.625 0.000 1.027 922 F HN 0.250 nan 8.300 nan 0.000 0.497 923 E N -0.274 119.916 120.200 -0.016 0.000 2.158 923 E HA -0.074 4.276 4.350 -0.001 0.000 0.191 923 E C 2.243 178.853 176.600 0.018 0.000 0.982 923 E CA 1.074 57.473 56.400 -0.001 0.000 0.823 923 E CB -0.327 29.407 29.700 0.057 0.000 0.766 923 E HN 0.235 nan 8.360 nan 0.000 0.468 924 V N 0.471 120.446 119.914 0.101 0.000 2.427 924 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 924 V C 2.103 178.380 176.094 0.306 0.000 1.051 924 V CA 1.881 64.315 62.300 0.223 0.000 1.048 924 V CB -0.761 31.283 31.823 0.370 0.000 0.666 924 V HN 0.279 nan 8.190 nan 0.000 0.456 925 Y N 0.122 120.419 120.300 -0.005 0.000 2.114 925 Y HA -0.146 4.404 4.550 -0.001 0.000 0.284 925 Y C 2.233 178.041 175.900 -0.155 0.000 1.119 925 Y CA 1.801 59.759 58.100 -0.237 0.000 1.108 925 Y CB -0.384 37.572 38.460 -0.839 0.000 0.995 925 Y HN 0.197 nan 8.280 nan 0.000 0.491 926 F N 0.493 120.289 119.950 -0.256 0.000 2.619 926 F HA 0.223 4.749 4.527 -0.001 0.000 0.293 926 F C 2.169 177.830 175.800 -0.232 0.000 1.119 926 F CA 0.808 58.601 58.000 -0.344 0.000 1.445 926 F CB -0.611 37.856 39.000 -0.888 0.000 1.119 926 F HN 0.101 nan 8.300 nan 0.000 0.573 927 G N 0.264 108.939 108.800 -0.207 0.000 2.453 927 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.215 927 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.215 927 G C 1.790 176.565 174.900 -0.208 0.000 1.201 927 G CA 0.846 45.831 45.100 -0.193 0.000 0.784 927 G HN 0.316 nan 8.290 nan 0.000 0.545 928 K N 0.000 120.328 120.400 -0.120 0.000 2.152 928 K HA -0.071 4.249 4.320 -0.001 0.000 0.206 928 K C 2.699 179.201 176.600 -0.163 0.000 1.048 928 K CA 0.673 56.901 56.287 -0.099 0.000 0.933 928 K CB -0.087 32.402 32.500 -0.018 0.000 0.721 928 K HN 0.068 nan 8.250 nan 0.000 0.447 929 R N 0.861 121.226 120.500 -0.225 0.000 2.096 929 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 929 R C 2.067 178.143 176.300 -0.374 0.000 1.127 929 R CA 1.533 57.481 56.100 -0.254 0.000 0.968 929 R CB -0.156 29.982 30.300 -0.270 0.000 0.861 929 R HN 0.249 nan 8.270 nan 0.000 0.440 930 K N -0.880 119.197 120.400 -0.538 0.000 2.026 930 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 930 K C 2.175 178.592 176.600 -0.306 0.000 1.048 930 K CA 1.513 57.525 56.287 -0.458 0.000 0.929 930 K CB -0.369 31.874 32.500 -0.428 0.000 0.713 930 K HN 0.241 nan 8.250 nan 0.000 0.439 931 G N 1.073 109.720 108.800 -0.255 0.000 2.408 931 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.215 931 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.215 931 G C 1.112 175.865 174.900 -0.244 0.000 1.156 931 G CA 0.274 45.251 45.100 -0.206 0.000 0.793 931 G HN 0.263 nan 8.290 nan 0.000 0.535 932 E N -0.277 119.774 120.200 -0.247 0.000 2.331 932 E HA 0.099 4.449 4.350 -0.001 0.000 0.199 932 E C 1.866 178.110 176.600 -0.594 0.000 1.008 932 E CA 0.505 56.746 56.400 -0.264 0.000 0.843 932 E CB -0.065 29.560 29.700 -0.125 0.000 0.761 932 E HN 0.500 nan 8.360 nan 0.000 0.507 933 G N -0.598 107.754 108.800 -0.748 0.000 2.260 933 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.179 933 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.179 933 G C -0.154 173.986 174.900 -1.267 0.000 1.002 933 G CA -0.391 44.028 45.100 -1.135 0.000 0.677 933 G HN 0.152 nan 8.290 nan 0.000 0.486 934 F N -0.200 119.711 119.950 -0.065 0.000 2.599 934 F HA 0.753 5.280 4.527 -0.001 0.000 0.311 934 F C 1.042 176.824 175.800 -0.031 0.000 1.076 934 F CA -0.502 57.479 58.000 -0.032 0.000 0.937 934 F CB 1.136 40.129 39.000 -0.012 0.000 1.282 934 F HN 0.183 nan 8.300 nan 0.000 0.460 935 G N 0.325 109.250 108.800 0.207 0.000 3.411 935 G HA2 0.540 4.499 3.960 -0.001 0.000 0.186 935 G HA3 0.540 4.499 3.960 -0.001 0.000 0.186 935 G C -0.440 174.650 174.900 0.318 0.000 1.766 935 G CA -0.098 45.133 45.100 0.218 0.000 0.971 935 G HN 0.676 nan 8.290 nan 0.000 0.590 936 V N -1.034 119.046 119.914 0.277 0.000 2.713 936 V HA 0.581 4.700 4.120 -0.001 0.000 0.307 936 V C -0.829 175.368 176.094 0.171 0.000 1.052 936 V CA -1.027 61.414 62.300 0.236 0.000 0.967 936 V CB 1.521 33.449 31.823 0.175 0.000 1.019 936 V HN 0.451 nan 8.190 nan 0.000 0.459 937 D N 1.250 121.749 120.400 0.165 0.000 2.348 937 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 937 D C 0.765 177.124 176.300 0.097 0.000 1.110 937 D CA -0.479 53.606 54.000 0.142 0.000 0.967 937 D CB 1.315 42.242 40.800 0.212 0.000 1.139 937 D HN 0.676 nan 8.370 nan 0.000 0.466 938 K N 0.208 120.658 120.400 0.083 0.000 2.211 938 K HA -0.058 4.261 4.320 -0.001 0.000 0.203 938 K C 1.786 178.408 176.600 0.036 0.000 1.050 938 K CA 0.937 57.256 56.287 0.055 0.000 0.945 938 K CB 0.246 32.776 32.500 0.050 0.000 0.732 938 K HN 0.220 nan 8.250 nan 0.000 0.451 939 R N 0.758 121.288 120.500 0.049 0.000 2.061 939 R HA -0.072 4.268 4.340 -0.001 0.000 0.230 939 R C 1.896 178.148 176.300 -0.080 0.000 1.140 939 R CA 1.406 57.495 56.100 -0.017 0.000 0.940 939 R CB -0.856 29.455 30.300 0.018 0.000 0.839 939 R HN 0.347 nan 8.270 nan 0.000 0.429 940 E N 0.790 120.966 120.200 -0.040 0.000 2.209 940 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 940 E C 1.981 178.569 176.600 -0.019 0.000 0.993 940 E CA 1.109 57.488 56.400 -0.035 0.000 0.819 940 E CB 0.057 29.791 29.700 0.058 0.000 0.745 940 E HN 0.074 nan 8.360 nan 0.000 0.477 941 V N 0.936 120.851 119.914 0.003 0.000 2.535 941 V HA -0.154 3.965 4.120 -0.001 0.000 0.246 941 V C 2.212 178.298 176.094 -0.013 0.000 1.045 941 V CA 1.275 63.577 62.300 0.003 0.000 1.058 941 V CB -0.218 31.617 31.823 0.021 0.000 0.689 941 V HN 0.184 nan 8.190 nan 0.000 0.461 942 E N -0.103 120.086 120.200 -0.018 0.000 2.072 942 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 942 E C 2.299 178.877 176.600 -0.037 0.000 0.985 942 E CA 1.379 57.765 56.400 -0.023 0.000 0.801 942 E CB -0.058 29.630 29.700 -0.021 0.000 0.750 942 E HN 0.373 nan 8.360 nan 0.000 0.452 943 V N 1.122 121.002 119.914 -0.057 0.000 2.469 943 V HA -0.237 3.883 4.120 -0.001 0.000 0.251 943 V C 2.078 178.139 176.094 -0.054 0.000 1.064 943 V CA 1.382 63.642 62.300 -0.066 0.000 1.066 943 V CB -0.226 31.538 31.823 -0.099 0.000 0.667 943 V HN 0.266 nan 8.190 nan 0.000 0.461 944 L N -0.259 120.936 121.223 -0.047 0.000 2.056 944 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 944 L C 2.727 179.575 176.870 -0.036 0.000 1.078 944 L CA 2.196 57.011 54.840 -0.043 0.000 0.749 944 L CB -0.642 41.397 42.059 -0.034 0.000 0.901 944 L HN 0.327 nan 8.230 nan 0.000 0.433 945 R N 0.235 120.718 120.500 -0.029 0.000 2.082 945 R HA -0.156 4.183 4.340 -0.001 0.000 0.234 945 R C 2.468 178.752 176.300 -0.027 0.000 1.136 945 R CA 1.456 57.541 56.100 -0.024 0.000 0.935 945 R CB -0.137 30.152 30.300 -0.017 0.000 0.842 945 R HN 0.182 nan 8.270 nan 0.000 0.430 946 R N -0.045 120.438 120.500 -0.029 0.000 2.193 946 R HA -0.096 4.244 4.340 -0.001 0.000 0.229 946 R C 2.080 178.359 176.300 -0.035 0.000 1.110 946 R CA 1.144 57.226 56.100 -0.030 0.000 0.988 946 R CB -0.253 30.029 30.300 -0.031 0.000 0.871 946 R HN 0.369 nan 8.270 nan 0.000 0.458 947 A N 1.673 124.469 122.820 -0.041 0.000 1.898 947 A HA -0.164 4.156 4.320 -0.001 0.000 0.214 947 A C 2.016 179.573 177.584 -0.045 0.000 1.183 947 A CA 1.314 53.322 52.037 -0.047 0.000 0.622 947 A CB -0.122 18.844 19.000 -0.057 0.000 0.824 947 A HN 0.378 nan 8.150 nan 0.000 0.444 948 E N 0.662 120.838 120.200 -0.040 0.000 2.152 948 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 948 E C 1.623 178.204 176.600 -0.031 0.000 0.983 948 E CA 1.314 57.692 56.400 -0.037 0.000 0.818 948 E CB -0.378 29.303 29.700 -0.033 0.000 0.758 948 E HN 0.525 nan 8.360 nan 0.000 0.467 949 K N 0.063 120.446 120.400 -0.028 0.000 2.280 949 K HA -0.052 4.267 4.320 -0.001 0.000 0.202 949 K C 1.664 178.248 176.600 -0.026 0.000 1.047 949 K CA 0.629 56.901 56.287 -0.024 0.000 0.942 949 K CB -0.073 32.414 32.500 -0.021 0.000 0.739 949 K HN 0.160 nan 8.250 nan 0.000 0.457 950 L N -0.179 121.026 121.223 -0.030 0.000 2.034 950 L HA 0.004 4.344 4.340 -0.001 0.000 0.203 950 L C 1.275 178.124 176.870 -0.034 0.000 1.074 950 L CA 2.283 57.104 54.840 -0.032 0.000 0.748 950 L CB -0.758 41.279 42.059 -0.037 0.000 0.905 950 L HN 0.466 nan 8.230 nan 0.000 0.439 951 G N -1.853 106.924 108.800 -0.039 0.000 2.188 951 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.112 951 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.112 951 G C 0.297 175.167 174.900 -0.050 0.000 1.048 951 G CA 0.141 45.217 45.100 -0.040 0.000 0.720 951 G HN 0.159 nan 8.290 nan 0.000 0.487 952 L N -0.046 121.143 121.223 -0.056 0.000 2.463 952 L HA 0.407 4.746 4.340 -0.001 0.000 0.219 952 L C 1.143 177.967 176.870 -0.077 0.000 1.088 952 L CA 0.567 55.365 54.840 -0.070 0.000 0.849 952 L CB -0.261 41.752 42.059 -0.076 0.000 1.012 952 L HN 0.518 nan 8.230 nan 0.000 0.468 953 V N -2.802 117.071 119.914 -0.068 0.000 2.760 953 V HA 0.549 4.669 4.120 -0.001 0.000 0.309 953 V C 0.107 176.168 176.094 -0.056 0.000 1.077 953 V CA -1.073 61.185 62.300 -0.071 0.000 0.910 953 V CB 0.899 32.677 31.823 -0.075 0.000 1.008 953 V HN 0.236 nan 8.190 nan 0.000 0.424 954 T N 2.397 116.918 114.554 -0.055 0.000 2.829 954 T HA 0.314 4.664 4.350 -0.001 0.000 0.293 954 T C -2.334 172.344 174.700 -0.037 0.000 0.970 954 T CA -0.689 61.385 62.100 -0.043 0.000 1.168 954 T CB 0.113 68.956 68.868 -0.041 0.000 0.911 954 T HN 0.646 nan 8.240 nan 0.000 0.535 955 P HA 0.385 nan 4.420 nan 0.000 0.271 955 P C 1.151 178.440 177.300 -0.020 0.000 1.216 955 P CA 0.545 63.631 63.100 -0.024 0.000 0.771 955 P CB 0.524 32.212 31.700 -0.021 0.000 0.864 956 G N 1.530 110.320 108.800 -0.016 0.000 2.231 956 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.206 956 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.206 956 G C 0.102 174.996 174.900 -0.010 0.000 0.996 956 G CA -0.409 44.684 45.100 -0.011 0.000 0.645 956 G HN 0.506 nan 8.290 nan 0.000 0.498 957 K N 1.050 121.441 120.400 -0.016 0.000 2.098 957 K HA 0.546 4.865 4.320 -0.001 0.000 0.258 957 K C 0.536 177.131 176.600 -0.009 0.000 0.973 957 K CA 0.062 56.340 56.287 -0.014 0.000 0.898 957 K CB 1.505 33.989 32.500 -0.026 0.000 1.057 957 K HN 0.174 nan 8.250 nan 0.000 0.447 958 T N 1.196 115.751 114.554 0.003 0.000 2.937 958 T HA 0.051 4.400 4.350 -0.001 0.000 0.316 958 T C -1.780 172.923 174.700 0.006 0.000 1.079 958 T CA -1.055 61.055 62.100 0.016 0.000 1.131 958 T CB 0.493 69.384 68.868 0.038 0.000 1.000 958 T HN 0.229 nan 8.240 nan 0.000 0.549 959 P HA -0.100 nan 4.420 nan 0.000 0.216 959 P C 1.281 178.560 177.300 -0.035 0.000 1.150 959 P CA 1.263 64.358 63.100 -0.008 0.000 0.843 959 P CB 0.105 31.816 31.700 0.018 0.000 0.787 960 E N -0.336 119.873 120.200 0.015 0.000 2.077 960 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 960 E C 1.909 178.531 176.600 0.036 0.000 0.989 960 E CA 1.088 57.504 56.400 0.027 0.000 0.800 960 E CB -0.256 29.580 29.700 0.226 0.000 0.746 960 E HN 0.120 nan 8.360 nan 0.000 0.452 961 E N 0.236 120.445 120.200 0.015 0.000 2.152 961 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 961 E C 2.055 178.582 176.600 -0.121 0.000 0.983 961 E CA 0.704 57.081 56.400 -0.037 0.000 0.818 961 E CB -0.007 29.683 29.700 -0.017 0.000 0.758 961 E HN 0.427 nan 8.360 nan 0.000 0.467 962 Q N 0.321 120.060 119.800 -0.102 0.000 2.049 962 Q HA -0.025 4.314 4.340 -0.001 0.000 0.198 962 Q C 2.406 178.297 176.000 -0.182 0.000 0.971 962 Q CA 0.488 56.218 55.803 -0.122 0.000 0.833 962 Q CB -0.029 28.662 28.738 -0.079 0.000 0.896 962 Q HN 0.249 nan 8.270 nan 0.000 0.434 963 L N 0.981 122.102 121.223 -0.171 0.000 2.079 963 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 963 L C 2.433 178.978 176.870 -0.543 0.000 1.081 963 L CA 1.388 56.128 54.840 -0.166 0.000 0.752 963 L CB -0.175 41.900 42.059 0.026 0.000 0.896 963 L HN 0.154 nan 8.230 nan 0.000 0.433 964 K N 0.382 120.164 120.400 -1.030 0.000 2.002 964 K HA -0.299 4.021 4.320 -0.001 0.000 0.209 964 K C 1.970 178.155 176.600 -0.691 0.000 1.048 964 K CA 1.974 57.287 56.287 -1.622 0.000 0.930 964 K CB -0.147 31.719 32.500 -1.056 0.000 0.714 964 K HN 0.277 nan 8.250 nan 0.000 0.438 965 E N 0.110 120.066 120.200 -0.406 0.000 2.097 965 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 965 E C 1.886 178.357 176.600 -0.214 0.000 1.000 965 E CA 1.497 57.750 56.400 -0.245 0.000 0.804 965 E CB -0.266 29.330 29.700 -0.175 0.000 0.740 965 E HN 0.294 nan 8.360 nan 0.000 0.454 966 L N -0.253 120.841 121.223 -0.216 0.000 2.093 966 L HA -0.007 4.333 4.340 -0.001 0.000 0.208 966 L C 2.070 178.833 176.870 -0.178 0.000 1.085 966 L CA 1.633 56.369 54.840 -0.174 0.000 0.755 966 L CB -0.697 41.275 42.059 -0.145 0.000 0.904 966 L HN 0.307 nan 8.230 nan 0.000 0.435 967 F N -0.645 119.082 119.950 -0.372 0.000 2.186 967 F HA -0.202 4.324 4.527 -0.001 0.000 0.299 967 F C 2.085 177.714 175.800 -0.284 0.000 1.090 967 F CA 1.330 59.129 58.000 -0.335 0.000 1.307 967 F CB -0.008 38.743 39.000 -0.416 0.000 1.019 967 F HN 0.014 nan 8.300 nan 0.000 0.489 968 L N -0.263 120.950 121.223 -0.016 0.000 2.265 968 L HA -0.219 4.120 4.340 -0.001 0.000 0.215 968 L C 2.102 178.872 176.870 -0.166 0.000 1.117 968 L CA 0.979 55.785 54.840 -0.057 0.000 0.782 968 L CB -0.778 41.217 42.059 -0.106 0.000 0.914 968 L HN 0.214 nan 8.230 nan 0.000 0.441 969 Q N 0.066 119.740 119.800 -0.210 0.000 2.515 969 Q HA -0.031 4.309 4.340 -0.001 0.000 0.212 969 Q C 1.579 177.324 176.000 -0.425 0.000 0.970 969 Q CA 0.719 56.363 55.803 -0.265 0.000 0.941 969 Q CB 0.256 28.872 28.738 -0.203 0.000 0.998 969 Q HN 0.679 nan 8.270 nan 0.000 0.518 970 G N 1.777 110.299 108.800 -0.465 0.000 2.195 970 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.246 970 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.246 970 G C -0.017 174.678 174.900 -0.342 0.000 0.984 970 G CA 0.484 45.228 45.100 -0.593 0.000 0.633 970 G HN 0.382 nan 8.290 nan 0.000 0.525 971 K N -0.274 119.925 120.400 -0.335 0.000 2.318 971 K HA 0.850 5.169 4.320 -0.001 0.000 0.249 971 K C -0.015 176.386 176.600 -0.332 0.000 0.942 971 K CA -0.551 55.580 56.287 -0.259 0.000 0.808 971 K CB 3.299 35.711 32.500 -0.147 0.000 1.189 971 K HN 0.863 nan 8.250 nan 0.000 0.428 972 V N -1.524 118.223 119.914 -0.280 0.000 3.164 972 V HA 0.577 4.696 4.120 -0.001 0.000 0.313 972 V C -0.410 175.632 176.094 -0.086 0.000 1.188 972 V CA -1.076 61.093 62.300 -0.218 0.000 1.058 972 V CB 1.684 33.340 31.823 -0.278 0.000 1.110 972 V HN 0.556 nan 8.190 nan 0.000 0.453 973 V N 1.664 121.563 119.914 -0.025 0.000 2.607 973 V HA 0.539 4.659 4.120 -0.001 0.000 0.289 973 V C -0.194 175.887 176.094 -0.023 0.000 1.053 973 V CA -0.160 62.102 62.300 -0.063 0.000 0.996 973 V CB 0.955 32.705 31.823 -0.121 0.000 0.995 973 V HN 0.724 nan 8.190 nan 0.000 0.476 974 L N 4.509 125.689 121.223 -0.072 0.000 2.408 974 L HA 0.600 4.940 4.340 -0.001 0.000 0.268 974 L C -1.017 175.857 176.870 0.007 0.000 0.986 974 L CA -0.335 54.541 54.840 0.061 0.000 0.820 974 L CB 1.962 44.089 42.059 0.113 0.000 1.303 974 L HN 0.520 nan 8.230 nan 0.000 0.411 975 Y N 1.938 122.289 120.300 0.084 0.000 2.352 975 Y HA 0.290 4.839 4.550 -0.001 0.000 0.326 975 Y C 1.183 177.274 175.900 0.318 0.000 1.166 975 Y CA -0.663 57.516 58.100 0.132 0.000 1.182 975 Y CB 0.610 39.040 38.460 -0.051 0.000 1.216 975 Y HN 0.589 nan 8.280 nan 0.000 0.474 976 D N 1.530 122.150 120.400 0.366 0.000 2.149 976 D HA -0.086 4.553 4.640 -0.001 0.000 0.198 976 D C 2.001 178.405 176.300 0.174 0.000 0.990 976 D CA 2.121 56.261 54.000 0.234 0.000 0.839 976 D CB -0.160 40.717 40.800 0.128 0.000 0.948 976 D HN 0.975 nan 8.370 nan 0.000 0.460 977 G N 0.310 109.171 108.800 0.103 0.000 2.417 977 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.233 977 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.233 977 G C 1.354 176.162 174.900 -0.152 0.000 1.103 977 G CA 0.621 45.438 45.100 -0.470 0.000 0.647 977 G HN 0.472 nan 8.290 nan 0.000 0.512 978 R N -0.527 119.964 120.500 -0.016 0.000 2.140 978 R HA 0.371 4.711 4.340 -0.001 0.000 0.213 978 R C 2.381 178.695 176.300 0.024 0.000 1.059 978 R CA 1.656 57.758 56.100 0.003 0.000 1.000 978 R CB -0.467 29.843 30.300 0.017 0.000 0.910 978 R HN 0.371 nan 8.270 nan 0.000 0.455 979 T N -1.590 112.997 114.554 0.055 0.000 2.978 979 T HA 0.263 4.613 4.350 -0.001 0.000 0.248 979 T C 1.303 176.067 174.700 0.105 0.000 1.018 979 T CA 0.791 62.930 62.100 0.065 0.000 1.026 979 T CB 0.252 69.154 68.868 0.056 0.000 1.032 979 T HN 0.498 nan 8.240 nan 0.000 0.485 980 G N 1.160 110.068 108.800 0.181 0.000 2.217 980 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.246 980 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.246 980 G C -0.110 174.964 174.900 0.291 0.000 0.990 980 G CA 0.215 45.470 45.100 0.258 0.000 0.627 980 G HN 0.538 nan 8.290 nan 0.000 0.522 981 E N 1.720 122.038 120.200 0.198 0.000 2.374 981 E HA 0.523 4.872 4.350 -0.001 0.000 0.260 981 E C -1.871 174.801 176.600 0.120 0.000 1.101 981 E CA -2.014 54.472 56.400 0.143 0.000 0.907 981 E CB 0.717 30.462 29.700 0.075 0.000 1.014 981 E HN 0.297 nan 8.360 nan 0.000 0.427 982 P HA 0.244 nan 4.420 nan 0.000 0.276 982 P C -0.258 177.007 177.300 -0.058 0.000 1.261 982 P CA -0.224 62.791 63.100 -0.140 0.000 0.800 982 P CB 0.552 32.077 31.700 -0.291 0.000 1.066 983 I N 0.922 121.454 120.570 -0.064 0.000 2.269 983 I HA 0.108 4.278 4.170 -0.001 0.000 0.293 983 I C 0.495 176.584 176.117 -0.046 0.000 1.106 983 I CA -0.430 60.854 61.300 -0.027 0.000 1.248 983 I CB -0.476 37.529 38.000 0.008 0.000 1.444 983 I HN 0.290 nan 8.210 nan 0.000 0.497 984 E N 6.201 126.377 120.200 -0.039 0.000 3.102 984 E HA 0.153 4.502 4.350 -0.001 0.000 0.235 984 E C 0.653 177.229 176.600 -0.039 0.000 0.995 984 E CA 0.377 56.753 56.400 -0.040 0.000 0.950 984 E CB -0.178 29.505 29.700 -0.028 0.000 0.905 984 E HN 0.897 nan 8.360 nan 0.000 0.553 985 G N 3.459 112.229 108.800 -0.049 0.000 3.067 985 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.686 985 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.686 985 G C -2.903 171.965 174.900 -0.054 0.000 1.119 985 G CA -1.358 43.713 45.100 -0.048 0.000 0.790 985 G HN 0.318 nan 8.290 nan 0.000 0.605 986 P HA 0.445 nan 4.420 nan 0.000 0.268 986 P C 0.102 177.366 177.300 -0.060 0.000 1.204 986 P CA -0.038 63.017 63.100 -0.074 0.000 0.768 986 P CB 0.580 32.223 31.700 -0.094 0.000 0.842 987 I N 3.154 123.693 120.570 -0.052 0.000 2.406 987 I HA 0.213 4.383 4.170 -0.001 0.000 0.290 987 I C 0.612 176.705 176.117 -0.040 0.000 0.999 987 I CA -1.337 59.947 61.300 -0.027 0.000 1.124 987 I CB 1.863 39.868 38.000 0.008 0.000 1.289 987 I HN 0.173 nan 8.210 nan 0.000 0.441 988 V N 6.434 126.335 119.914 -0.022 0.000 2.963 988 V HA 0.593 4.713 4.120 -0.001 0.000 0.306 988 V C -0.067 176.025 176.094 -0.003 0.000 1.077 988 V CA -0.097 62.198 62.300 -0.009 0.000 1.124 988 V CB 1.377 33.273 31.823 0.121 0.000 0.987 988 V HN 0.596 nan 8.190 nan 0.000 0.487 989 V N 0.686 120.593 119.914 -0.012 0.000 3.147 989 V HA 1.112 5.232 4.120 -0.001 0.000 0.306 989 V C -0.010 176.109 176.094 0.041 0.000 1.209 989 V CA 0.144 62.451 62.300 0.012 0.000 1.023 989 V CB 1.061 32.888 31.823 0.007 0.000 1.059 989 V HN 2.028 nan 8.190 nan 0.000 0.435 990 G N 1.187 110.035 108.800 0.080 0.000 2.322 990 G HA2 0.431 4.391 3.960 -0.001 0.000 0.295 990 G HA3 0.431 4.391 3.960 -0.001 0.000 0.295 990 G C -1.822 173.192 174.900 0.190 0.000 1.369 990 G CA -0.893 44.293 45.100 0.144 0.000 0.821 990 G HN 0.862 nan 8.290 nan 0.000 0.536 991 Q N 0.330 120.289 119.800 0.264 0.000 2.344 991 Q HA 0.427 4.767 4.340 -0.001 0.000 0.253 991 Q C -0.121 176.031 176.000 0.252 0.000 1.050 991 Q CA 0.286 56.265 55.803 0.294 0.000 0.912 991 Q CB 1.311 30.258 28.738 0.348 0.000 1.258 991 Q HN 0.478 nan 8.270 nan 0.000 0.443 992 M N 3.204 122.946 119.600 0.237 0.000 2.294 992 M HA 0.356 4.836 4.480 -0.001 0.000 0.335 992 M C -1.267 175.216 176.300 0.304 0.000 1.079 992 M CA -0.822 54.623 55.300 0.242 0.000 0.982 992 M CB 1.088 33.793 32.600 0.175 0.000 1.651 992 M HN 0.593 nan 8.290 nan 0.000 0.437 993 F N 6.397 126.430 119.950 0.138 0.000 2.494 993 F HA 0.426 4.952 4.527 -0.001 0.000 0.369 993 F C -1.153 174.714 175.800 0.112 0.000 1.098 993 F CA -0.116 57.959 58.000 0.124 0.000 1.154 993 F CB 0.262 39.310 39.000 0.080 0.000 1.103 993 F HN 0.435 nan 8.300 nan 0.000 0.549 994 I N 7.897 128.380 120.570 -0.144 0.000 2.499 994 I HA 0.283 4.452 4.170 -0.001 0.000 0.288 994 I C -0.435 175.475 176.117 -0.345 0.000 1.048 994 I CA -0.750 60.437 61.300 -0.188 0.000 1.062 994 I CB 1.830 39.828 38.000 -0.004 0.000 1.238 994 I HN 0.499 nan 8.210 nan 0.000 0.426 995 M N 4.496 123.859 119.600 -0.395 0.000 2.598 995 M HA 0.567 5.046 4.480 -0.001 0.000 0.317 995 M C -0.617 175.483 176.300 -0.332 0.000 1.201 995 M CA -0.873 54.206 55.300 -0.368 0.000 0.971 995 M CB 1.697 34.104 32.600 -0.321 0.000 1.657 995 M HN 0.342 nan 8.290 nan 0.000 0.470 996 K N 2.347 122.552 120.400 -0.326 0.000 2.183 996 K HA 0.559 4.879 4.320 -0.001 0.000 0.274 996 K C -1.343 175.151 176.600 -0.177 0.000 1.009 996 K CA -0.362 55.740 56.287 -0.309 0.000 0.888 996 K CB 0.948 33.239 32.500 -0.347 0.000 1.078 996 K HN 0.779 nan 8.250 nan 0.000 0.459 997 L N 3.892 125.024 121.223 -0.151 0.000 2.375 997 L HA 0.203 4.543 4.340 -0.001 0.000 0.271 997 L C 0.205 177.067 176.870 -0.014 0.000 1.107 997 L CA -1.061 53.746 54.840 -0.055 0.000 0.806 997 L CB 0.350 42.387 42.059 -0.037 0.000 1.146 997 L HN 0.519 nan 8.230 nan 0.000 0.447 998 Y N 1.974 122.236 120.300 -0.064 0.000 2.717 998 Y HA -0.050 4.499 4.550 -0.001 0.000 0.330 998 Y C 0.078 176.004 175.900 0.043 0.000 1.217 998 Y CA -0.290 57.795 58.100 -0.025 0.000 1.506 998 Y CB -0.130 38.339 38.460 0.014 0.000 1.268 998 Y HN 0.327 nan 8.280 nan 0.000 0.561 999 H N 7.511 126.387 119.070 -0.324 0.000 2.911 999 H HA 0.231 4.786 4.556 -0.001 0.000 0.273 999 H C -0.069 174.811 175.328 -0.747 0.000 1.157 999 H CA -0.147 55.637 56.048 -0.440 0.000 1.402 999 H CB 0.036 29.628 29.762 -0.283 0.000 1.463 999 H HN 0.848 nan 8.280 nan 0.000 0.475 1000 M N 1.912 121.119 119.600 -0.656 0.000 2.159 1000 M HA 0.058 4.537 4.480 -0.001 0.000 0.293 1000 M C 1.039 177.169 176.300 -0.283 0.000 1.186 1000 M CA -0.249 54.706 55.300 -0.574 0.000 1.073 1000 M CB 0.902 33.252 32.600 -0.417 0.000 1.419 1000 M HN 0.303 nan 8.290 nan 0.000 0.490 1001 V N 1.054 120.876 119.914 -0.153 0.000 3.383 1001 V HA -0.152 3.967 4.120 -0.001 0.000 0.272 1001 V C 1.710 177.690 176.094 -0.191 0.000 1.181 1001 V CA 1.689 63.931 62.300 -0.097 0.000 1.171 1001 V CB -2.054 29.772 31.823 0.004 0.000 0.800 1001 V HN 0.949 nan 8.190 nan 0.000 0.515 1002 E N 1.317 121.383 120.200 -0.223 0.000 2.230 1002 E HA -0.197 4.153 4.350 -0.001 0.000 0.192 1002 E C 1.817 178.275 176.600 -0.238 0.000 0.987 1002 E CA 1.146 57.405 56.400 -0.235 0.000 0.841 1002 E CB -0.319 29.270 29.700 -0.185 0.000 0.783 1002 E HN 0.744 nan 8.360 nan 0.000 0.481 1003 D N 1.145 121.374 120.400 -0.285 0.000 2.110 1003 D HA -0.142 4.498 4.640 -0.001 0.000 0.202 1003 D C 0.606 176.707 176.300 -0.333 0.000 0.975 1003 D CA 0.572 54.356 54.000 -0.360 0.000 0.839 1003 D CB -0.155 40.230 40.800 -0.690 0.000 0.996 1003 D HN -0.110 nan 8.370 nan 0.000 0.464 1004 K N 2.961 123.176 120.400 -0.308 0.000 2.021 1004 K HA 0.053 4.372 4.320 -0.001 0.000 0.238 1004 K C 0.706 177.208 176.600 -0.164 0.000 1.149 1004 K CA -0.107 56.065 56.287 -0.191 0.000 1.105 1004 K CB -0.452 31.991 32.500 -0.096 0.000 1.246 1004 K HN 0.473 nan 8.250 nan 0.000 0.307 1005 M N 0.459 119.949 119.600 -0.183 0.000 2.034 1005 M HA -0.199 4.281 4.480 -0.001 0.000 0.344 1005 M C -0.639 175.417 176.300 -0.408 0.000 0.865 1005 M CA 1.311 56.486 55.300 -0.208 0.000 0.794 1005 M CB -0.410 32.107 32.600 -0.139 0.000 1.507 1005 M HN 0.305 nan 8.290 nan 0.000 0.459 1006 H N 1.549 120.227 119.070 -0.653 0.000 2.991 1006 H HA 0.728 5.283 4.556 -0.001 0.000 0.304 1006 H C -0.934 174.140 175.328 -0.424 0.000 1.040 1006 H CA -0.036 55.364 56.048 -1.079 0.000 1.410 1006 H CB 1.333 30.704 29.762 -0.653 0.000 1.529 1006 H HN 0.840 nan 8.280 nan 0.000 0.509 1007 A N 4.240 127.009 122.820 -0.085 0.000 2.318 1007 A HA 0.680 4.999 4.320 -0.001 0.000 0.317 1007 A C -0.505 177.260 177.584 0.301 0.000 1.159 1007 A CA -0.787 51.341 52.037 0.152 0.000 0.799 1007 A CB 0.926 19.998 19.000 0.120 0.000 1.194 1007 A HN 0.548 nan 8.150 nan 0.000 0.479 1008 R N 2.393 122.992 120.500 0.166 0.000 2.534 1008 R HA 0.508 4.847 4.340 -0.001 0.000 0.301 1008 R C 0.296 176.629 176.300 0.054 0.000 0.961 1008 R CA 0.061 56.227 56.100 0.110 0.000 0.871 1008 R CB 2.113 32.465 30.300 0.088 0.000 1.170 1008 R HN 0.793 nan 8.270 nan 0.000 0.446 1009 S N 1.993 117.712 115.700 0.031 0.000 2.297 1009 S HA 0.179 4.648 4.470 -0.001 0.000 0.200 1009 S C 0.123 174.740 174.600 0.029 0.000 1.011 1009 S CA 0.938 59.158 58.200 0.034 0.000 0.938 1009 S CB 0.173 63.392 63.200 0.032 0.000 0.924 1009 S HN 0.735 nan 8.310 nan 0.000 0.504 1010 T N -0.262 114.295 114.554 0.004 0.000 2.901 1010 T HA 0.779 5.129 4.350 -0.001 0.000 0.293 1010 T C -0.083 174.589 174.700 -0.046 0.000 1.084 1010 T CA -0.275 61.824 62.100 -0.003 0.000 1.008 1010 T CB 1.470 70.326 68.868 -0.021 0.000 1.170 1010 T HN 0.746 nan 8.240 nan 0.000 0.509 1011 G N 0.325 109.099 108.800 -0.043 0.000 2.348 1011 G HA2 0.589 4.548 3.960 -0.001 0.000 0.296 1011 G HA3 0.589 4.548 3.960 -0.001 0.000 0.296 1011 G C -3.202 171.658 174.900 -0.066 0.000 1.258 1011 G CA -0.800 44.251 45.100 -0.082 0.000 0.868 1011 G HN 0.659 nan 8.290 nan 0.000 0.488 1012 P HA 0.506 nan 4.420 nan 0.000 0.274 1012 P C -1.364 175.825 177.300 -0.185 0.000 1.264 1012 P CA 0.071 63.157 63.100 -0.024 0.000 0.795 1012 P CB 0.257 31.936 31.700 -0.036 0.000 1.064 1013 Y N -2.181 118.116 120.300 -0.006 0.000 2.544 1013 Y HA 0.313 4.862 4.550 -0.001 0.000 0.342 1013 Y C 0.485 176.390 175.900 0.008 0.000 1.062 1013 Y CA -0.803 57.299 58.100 0.004 0.000 1.023 1013 Y CB 1.760 40.220 38.460 0.001 0.000 1.308 1013 Y HN 0.222 nan 8.280 nan 0.000 0.457 1014 S N 1.771 117.562 115.700 0.152 0.000 2.563 1014 S HA 0.009 4.479 4.470 -0.001 0.000 0.284 1014 S C 0.807 175.470 174.600 0.104 0.000 1.331 1014 S CA -0.391 57.868 58.200 0.099 0.000 1.047 1014 S CB 0.558 63.806 63.200 0.080 0.000 0.859 1014 S HN 0.709 nan 8.310 nan 0.000 0.514 1015 L N 5.029 126.293 121.223 0.068 0.000 2.072 1015 L HA 0.083 4.423 4.340 -0.001 0.000 0.205 1015 L C 1.922 178.821 176.870 0.048 0.000 1.079 1015 L CA 1.633 56.505 54.840 0.054 0.000 0.752 1015 L CB -0.793 41.288 42.059 0.036 0.000 0.906 1015 L HN 0.896 nan 8.230 nan 0.000 0.436 1016 I N -3.404 117.194 120.570 0.048 0.000 2.685 1016 I HA 0.077 4.246 4.170 -0.001 0.000 0.251 1016 I C 1.198 177.349 176.117 0.058 0.000 1.102 1016 I CA 0.894 62.220 61.300 0.044 0.000 1.442 1016 I CB -1.765 36.257 38.000 0.035 0.000 1.194 1016 I HN 0.262 nan 8.210 nan 0.000 0.448 1017 T N 1.870 116.463 114.554 0.066 0.000 2.909 1017 T HA 0.183 4.532 4.350 -0.001 0.000 0.289 1017 T C 0.450 175.214 174.700 0.106 0.000 1.005 1017 T CA -0.236 61.912 62.100 0.080 0.000 1.084 1017 T CB 0.925 69.839 68.868 0.076 0.000 0.975 1017 T HN 0.271 nan 8.240 nan 0.000 0.509 1018 Q N 2.798 122.670 119.800 0.119 0.000 2.242 1018 Q HA 0.220 4.559 4.340 -0.001 0.000 0.246 1018 Q C 0.132 176.308 176.000 0.294 0.000 0.883 1018 Q CA 0.130 56.031 55.803 0.164 0.000 0.984 1018 Q CB 0.175 28.958 28.738 0.076 0.000 1.096 1018 Q HN 0.706 nan 8.270 nan 0.000 0.452 1019 Q N 0.675 120.607 119.800 0.219 0.000 2.259 1019 Q HA 0.344 4.684 4.340 -0.001 0.000 0.249 1019 Q C -2.262 173.784 176.000 0.076 0.000 0.914 1019 Q CA -2.028 53.887 55.803 0.187 0.000 0.904 1019 Q CB 0.588 29.386 28.738 0.100 0.000 1.213 1019 Q HN 0.029 nan 8.270 nan 0.000 0.428 1020 P HA 0.026 nan 4.420 nan 0.000 0.264 1020 P C -0.830 176.322 177.300 -0.246 0.000 1.183 1020 P CA 0.745 63.514 63.100 -0.553 0.000 0.763 1020 P CB 0.415 31.841 31.700 -0.456 0.000 0.807 1021 L N 1.742 122.819 121.223 -0.244 0.000 2.506 1021 L HA 0.591 4.931 4.340 -0.001 0.000 0.257 1021 L C 0.761 177.584 176.870 -0.079 0.000 0.964 1021 L CA -0.541 54.240 54.840 -0.098 0.000 0.836 1021 L CB 2.405 44.440 42.059 -0.041 0.000 1.384 1021 L HN 0.463 nan 8.230 nan 0.000 0.410 1022 G N -0.338 108.455 108.800 -0.012 0.000 3.434 1022 G HA2 0.779 4.739 3.960 -0.001 0.000 0.197 1022 G HA3 0.779 4.739 3.960 -0.001 0.000 0.197 1022 G C 0.316 175.237 174.900 0.035 0.000 1.559 1022 G CA 0.246 45.351 45.100 0.009 0.000 0.852 1022 G HN 1.023 nan 8.290 nan 0.000 0.682 1023 G N -0.555 108.296 108.800 0.085 0.000 1.742 1023 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.185 1023 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.185 1023 G C 1.105 176.058 174.900 0.088 0.000 1.174 1023 G CA 0.707 45.858 45.100 0.084 0.000 1.276 1023 G HN 0.554 nan 8.290 nan 0.000 0.424 1024 K N 0.522 120.944 120.400 0.036 0.000 1.964 1024 K HA 0.235 4.554 4.320 -0.001 0.000 0.218 1024 K C 2.653 179.240 176.600 -0.021 0.000 1.043 1024 K CA 1.921 58.219 56.287 0.018 0.000 0.966 1024 K CB -0.272 32.222 32.500 -0.009 0.000 0.739 1024 K HN 0.556 nan 8.250 nan 0.000 0.443 1025 A N 0.224 122.988 122.820 -0.093 0.000 2.127 1025 A HA 0.070 4.389 4.320 -0.001 0.000 0.204 1025 A C 0.268 177.646 177.584 -0.342 0.000 1.243 1025 A CA -0.020 51.894 52.037 -0.205 0.000 0.887 1025 A CB 0.422 19.309 19.000 -0.188 0.000 0.933 1025 A HN 0.158 nan 8.150 nan 0.000 0.479 1026 Q N 0.064 119.726 119.800 -0.230 0.000 2.349 1026 Q HA 0.480 4.819 4.340 -0.001 0.000 0.254 1026 Q C 0.097 176.013 176.000 -0.140 0.000 0.980 1026 Q CA -0.728 54.923 55.803 -0.253 0.000 0.924 1026 Q CB 0.338 28.984 28.738 -0.155 0.000 1.209 1026 Q HN 0.375 nan 8.270 nan 0.000 0.445 1027 F N 1.290 121.102 119.950 -0.230 0.000 2.141 1027 F HA -0.121 4.405 4.527 -0.001 0.000 0.300 1027 F C 1.411 177.201 175.800 -0.018 0.000 1.079 1027 F CA 1.802 59.579 58.000 -0.371 0.000 1.264 1027 F CB -0.747 37.943 39.000 -0.517 0.000 1.011 1027 F HN 0.714 nan 8.300 nan 0.000 0.487 1028 G N -1.006 107.881 108.800 0.144 0.000 3.039 1028 G HA2 0.226 4.185 3.960 -0.001 0.000 0.686 1028 G HA3 0.226 4.185 3.960 -0.001 0.000 0.686 1028 G C 0.144 175.098 174.900 0.090 0.000 1.066 1028 G CA -0.715 44.437 45.100 0.087 0.000 0.774 1028 G HN 0.639 nan 8.290 nan 0.000 0.591 1029 G N 0.319 109.126 108.800 0.011 0.000 2.569 1029 G HA2 0.554 4.513 3.960 -0.001 0.000 0.249 1029 G HA3 0.554 4.513 3.960 -0.001 0.000 0.249 1029 G C 0.255 175.179 174.900 0.040 0.000 1.216 1029 G CA 0.257 45.369 45.100 0.020 0.000 0.845 1029 G HN 0.937 nan 8.290 nan 0.000 0.568 1030 Q N -0.539 119.291 119.800 0.051 0.000 2.306 1030 Q HA 0.342 4.682 4.340 -0.001 0.000 0.241 1030 Q C 0.593 176.641 176.000 0.080 0.000 0.948 1030 Q CA -0.166 55.672 55.803 0.058 0.000 0.886 1030 Q CB 0.698 29.478 28.738 0.070 0.000 1.227 1030 Q HN 0.501 nan 8.270 nan 0.000 0.457 1031 R N 1.801 122.341 120.500 0.066 0.000 2.441 1031 R HA 0.151 4.491 4.340 -0.001 0.000 0.284 1031 R C -0.126 176.257 176.300 0.138 0.000 1.070 1031 R CA -0.062 56.085 56.100 0.078 0.000 1.047 1031 R CB 0.455 30.768 30.300 0.021 0.000 1.016 1031 R HN 0.658 nan 8.270 nan 0.000 0.477 1032 F N 1.069 120.996 119.950 -0.037 0.000 2.678 1032 F HA 0.247 4.773 4.527 -0.001 0.000 0.305 1032 F C 0.984 176.729 175.800 -0.091 0.000 1.090 1032 F CA 0.122 58.093 58.000 -0.048 0.000 1.272 1032 F CB 0.211 39.194 39.000 -0.029 0.000 1.060 1032 F HN 0.835 nan 8.300 nan 0.000 0.576 1033 G N 1.783 110.513 108.800 -0.116 0.000 3.796 1033 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.331 1033 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.331 1033 G C 1.048 175.719 174.900 -0.382 0.000 1.112 1033 G CA 0.421 45.386 45.100 -0.226 0.000 1.292 1033 G HN 0.636 nan 8.290 nan 0.000 0.539 1034 E N 1.190 121.139 120.200 -0.417 0.000 2.085 1034 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 1034 E C 2.450 178.182 176.600 -1.446 0.000 0.994 1034 E CA 1.677 57.661 56.400 -0.694 0.000 0.801 1034 E CB -0.169 29.244 29.700 -0.478 0.000 0.743 1034 E HN 0.486 nan 8.360 nan 0.000 0.453 1035 M N 1.081 119.894 119.600 -1.311 0.000 2.108 1035 M HA -0.216 4.264 4.480 -0.001 0.000 0.257 1035 M C 1.848 177.726 176.300 -0.704 0.000 1.071 1035 M CA 1.984 56.580 55.300 -1.172 0.000 1.093 1035 M CB -0.137 32.113 32.600 -0.584 0.000 1.345 1035 M HN 0.061 nan 8.290 nan 0.000 0.403 1036 E N -1.332 118.478 120.200 -0.650 0.000 2.158 1036 E HA -0.065 4.285 4.350 -0.001 0.000 0.191 1036 E C 1.997 178.298 176.600 -0.498 0.000 0.982 1036 E CA 0.885 56.899 56.400 -0.644 0.000 0.823 1036 E CB -0.236 28.781 29.700 -1.138 0.000 0.766 1036 E HN 0.270 nan 8.360 nan 0.000 0.468 1037 V N 0.453 120.113 119.914 -0.425 0.000 2.255 1037 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 1037 V C 1.826 177.998 176.094 0.130 0.000 1.051 1037 V CA 1.775 64.060 62.300 -0.024 0.000 1.018 1037 V CB -0.706 31.128 31.823 0.020 0.000 0.641 1037 V HN 0.395 nan 8.190 nan 0.000 0.445 1038 W N 0.377 121.673 121.300 -0.007 0.000 2.321 1038 W HA -0.205 4.455 4.660 -0.001 0.000 0.306 1038 W C 2.796 179.309 176.519 -0.011 0.000 1.217 1038 W CA 1.477 58.815 57.345 -0.011 0.000 1.257 1038 W CB -1.820 27.621 29.460 -0.032 0.000 1.145 1038 W HN 0.335 nan 8.180 nan 0.000 0.509 1039 A N 0.186 123.112 122.820 0.178 0.000 1.892 1039 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 1039 A C 2.133 179.849 177.584 0.219 0.000 1.188 1039 A CA 2.111 54.223 52.037 0.125 0.000 0.631 1039 A CB -1.036 18.016 19.000 0.086 0.000 0.822 1039 A HN 0.191 nan 8.150 nan 0.000 0.447 1040 L N -0.134 121.249 121.223 0.266 0.000 2.093 1040 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 1040 L C 2.430 179.451 176.870 0.251 0.000 1.085 1040 L CA 1.849 56.890 54.840 0.335 0.000 0.755 1040 L CB -0.588 41.670 42.059 0.331 0.000 0.904 1040 L HN 0.483 nan 8.230 nan 0.000 0.435 1041 E N -0.652 119.669 120.200 0.203 0.000 2.070 1041 E HA -0.304 4.046 4.350 -0.001 0.000 0.197 1041 E C 2.199 178.851 176.600 0.087 0.000 1.004 1041 E CA 1.287 57.776 56.400 0.147 0.000 0.805 1041 E CB -0.327 29.475 29.700 0.170 0.000 0.744 1041 E HN 0.556 nan 8.360 nan 0.000 0.451 1042 A N 1.398 124.241 122.820 0.037 0.000 1.859 1042 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 1042 A C 1.012 178.542 177.584 -0.090 0.000 1.209 1042 A CA 1.274 53.258 52.037 -0.089 0.000 0.639 1042 A CB -1.130 17.733 19.000 -0.228 0.000 0.835 1042 A HN 0.211 nan 8.150 nan 0.000 0.450 1043 Y N -1.165 119.170 120.300 0.058 0.000 2.469 1043 Y HA 0.236 4.786 4.550 -0.001 0.000 0.353 1043 Y C 1.847 177.773 175.900 0.044 0.000 1.269 1043 Y CA 0.244 58.373 58.100 0.049 0.000 1.504 1043 Y CB 0.364 38.858 38.460 0.057 0.000 1.369 1043 Y HN 0.180 nan 8.280 nan 0.000 0.654 1044 G N 0.210 109.154 108.800 0.240 0.000 3.262 1044 G HA2 0.236 4.196 3.960 -0.001 0.000 0.228 1044 G HA3 0.236 4.196 3.960 -0.001 0.000 0.228 1044 G C 0.227 175.199 174.900 0.120 0.000 1.197 1044 G CA 0.134 45.315 45.100 0.134 0.000 0.819 1044 G HN 0.730 nan 8.290 nan 0.000 0.531 1045 A N 0.666 123.581 122.820 0.159 0.000 2.899 1045 A HA 0.624 4.944 4.320 -0.001 0.000 0.287 1045 A C 1.651 179.287 177.584 0.086 0.000 1.715 1045 A CA 0.549 52.655 52.037 0.116 0.000 1.393 1045 A CB -0.153 18.923 19.000 0.126 0.000 1.070 1045 A HN 0.491 nan 8.150 nan 0.000 0.587 1046 A N 1.318 124.162 122.820 0.041 0.000 1.861 1046 A HA -0.021 4.299 4.320 -0.001 0.000 0.212 1046 A C 1.969 179.498 177.584 -0.091 0.000 1.199 1046 A CA 1.162 53.172 52.037 -0.045 0.000 0.613 1046 A CB -0.675 18.252 19.000 -0.120 0.000 0.846 1046 A HN 0.804 nan 8.150 nan 0.000 0.446 1047 H N 0.009 119.086 119.070 0.012 0.000 2.357 1047 H HA -0.074 4.482 4.556 -0.001 0.000 0.301 1047 H C 2.280 177.600 175.328 -0.013 0.000 1.082 1047 H CA 1.911 57.957 56.048 -0.003 0.000 1.342 1047 H CB -0.493 29.265 29.762 -0.007 0.000 1.389 1047 H HN 0.440 nan 8.280 nan 0.000 0.511 1048 T N 1.714 116.332 114.554 0.107 0.000 2.759 1048 T HA -0.148 4.202 4.350 -0.001 0.000 0.269 1048 T C 2.179 176.877 174.700 -0.005 0.000 1.042 1048 T CA 1.145 63.268 62.100 0.039 0.000 1.140 1048 T CB -0.383 68.508 68.868 0.039 0.000 0.864 1048 T HN 0.098 nan 8.240 nan 0.000 0.455 1049 L N 0.970 122.209 121.223 0.027 0.000 2.072 1049 L HA 0.039 4.379 4.340 -0.001 0.000 0.205 1049 L C 2.568 179.424 176.870 -0.022 0.000 1.079 1049 L CA 1.777 56.629 54.840 0.021 0.000 0.752 1049 L CB -0.842 41.264 42.059 0.078 0.000 0.906 1049 L HN 0.145 nan 8.230 nan 0.000 0.436 1050 Q N -0.137 119.649 119.800 -0.023 0.000 2.077 1050 Q HA -0.311 4.029 4.340 -0.001 0.000 0.206 1050 Q C 2.209 178.198 176.000 -0.018 0.000 0.989 1050 Q CA 2.369 58.154 55.803 -0.030 0.000 0.853 1050 Q CB -0.252 28.460 28.738 -0.044 0.000 0.907 1050 Q HN 0.645 nan 8.270 nan 0.000 0.418 1051 E N -0.852 119.344 120.200 -0.006 0.000 2.070 1051 E HA -0.255 4.095 4.350 -0.001 0.000 0.197 1051 E C 1.765 178.318 176.600 -0.079 0.000 1.004 1051 E CA 1.694 58.080 56.400 -0.024 0.000 0.805 1051 E CB -0.087 29.599 29.700 -0.024 0.000 0.744 1051 E HN 0.331 nan 8.360 nan 0.000 0.451 1052 M N -0.041 119.463 119.600 -0.159 0.000 2.159 1052 M HA -0.095 4.385 4.480 -0.001 0.000 0.263 1052 M C 1.767 177.983 176.300 -0.141 0.000 1.063 1052 M CA 1.386 56.520 55.300 -0.276 0.000 1.110 1052 M CB -0.077 32.171 32.600 -0.587 0.000 1.374 1052 M HN 0.196 nan 8.290 nan 0.000 0.411 1053 L N -2.404 118.775 121.223 -0.073 0.000 2.509 1053 L HA 0.029 4.368 4.340 -0.001 0.000 0.222 1053 L C 1.258 178.122 176.870 -0.010 0.000 1.123 1053 L CA 0.582 55.409 54.840 -0.022 0.000 0.856 1053 L CB -0.956 41.095 42.059 -0.013 0.000 0.985 1053 L HN 0.285 nan 8.230 nan 0.000 0.456 1054 T N -0.869 113.676 114.554 -0.015 0.000 3.479 1054 T HA 0.166 4.516 4.350 -0.001 0.000 0.197 1054 T C 1.681 176.389 174.700 0.012 0.000 0.912 1054 T CA -0.208 61.892 62.100 0.000 0.000 1.281 1054 T CB -0.286 68.580 68.868 -0.005 0.000 1.588 1054 T HN -0.043 nan 8.240 nan 0.000 0.389 1055 L N 1.097 122.327 121.223 0.010 0.000 2.089 1055 L HA -0.134 4.205 4.340 -0.001 0.000 0.213 1055 L C 2.475 179.367 176.870 0.036 0.000 1.079 1055 L CA 1.526 56.379 54.840 0.021 0.000 0.758 1055 L CB -0.619 41.450 42.059 0.018 0.000 0.891 1055 L HN 0.251 nan 8.230 nan 0.000 0.433 1056 K N -1.752 118.660 120.400 0.020 0.000 2.262 1056 K HA 0.016 4.335 4.320 -0.001 0.000 0.200 1056 K C 2.067 178.722 176.600 0.092 0.000 1.049 1056 K CA 1.002 57.311 56.287 0.036 0.000 0.979 1056 K CB 0.382 32.863 32.500 -0.032 0.000 0.773 1056 K HN 0.130 nan 8.250 nan 0.000 0.474 1057 S N -0.349 115.406 115.700 0.093 0.000 3.171 1057 S HA 0.037 4.506 4.470 -0.001 0.000 0.258 1057 S C 0.763 175.479 174.600 0.192 0.000 1.083 1057 S CA -0.014 58.283 58.200 0.162 0.000 0.801 1057 S CB 0.356 63.609 63.200 0.090 0.000 0.831 1057 S HN 0.058 nan 8.310 nan 0.000 0.462 1058 D N 1.095 121.556 120.400 0.102 0.000 2.431 1058 D HA 0.190 4.830 4.640 -0.001 0.000 0.227 1058 D C -0.155 176.164 176.300 0.032 0.000 1.030 1058 D CA 0.210 54.259 54.000 0.082 0.000 0.897 1058 D CB -0.148 40.700 40.800 0.081 0.000 1.058 1058 D HN 0.291 nan 8.370 nan 0.000 0.500 1059 D N 1.434 121.846 120.400 0.020 0.000 2.359 1059 D HA -0.065 4.574 4.640 -0.001 0.000 0.273 1059 D C 1.391 177.670 176.300 -0.036 0.000 1.362 1059 D CA -0.070 53.931 54.000 0.002 0.000 1.010 1059 D CB 0.226 41.029 40.800 0.005 0.000 1.090 1059 D HN -0.057 nan 8.370 nan 0.000 0.521 1060 I N 3.598 124.137 120.570 -0.052 0.000 2.127 1060 I HA -0.259 3.911 4.170 -0.001 0.000 0.241 1060 I C 2.026 178.096 176.117 -0.078 0.000 1.075 1060 I CA 1.603 62.838 61.300 -0.108 0.000 1.334 1060 I CB 0.037 37.990 38.000 -0.079 0.000 1.040 1060 I HN 0.466 nan 8.210 nan 0.000 0.405 1061 E N -0.576 119.604 120.200 -0.033 0.000 2.208 1061 E HA -0.088 4.261 4.350 -0.001 0.000 0.193 1061 E C 2.216 178.813 176.600 -0.006 0.000 0.988 1061 E CA 0.812 57.203 56.400 -0.015 0.000 0.828 1061 E CB -0.397 29.304 29.700 0.002 0.000 0.763 1061 E HN 0.637 nan 8.360 nan 0.000 0.478 1062 G N 2.368 111.166 108.800 -0.005 0.000 2.433 1062 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.216 1062 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.216 1062 G C 1.588 176.498 174.900 0.016 0.000 1.186 1062 G CA 0.863 45.967 45.100 0.007 0.000 0.779 1062 G HN 0.170 nan 8.290 nan 0.000 0.543 1063 R N 0.565 121.066 120.500 0.003 0.000 2.127 1063 R HA -0.055 4.284 4.340 -0.001 0.000 0.238 1063 R C 1.905 178.234 176.300 0.050 0.000 1.134 1063 R CA 1.563 57.678 56.100 0.025 0.000 0.975 1063 R CB -0.909 29.387 30.300 -0.008 0.000 0.865 1063 R HN 0.244 nan 8.270 nan 0.000 0.447 1064 N N 1.375 120.085 118.700 0.016 0.000 2.062 1064 N HA -0.089 4.650 4.740 -0.001 0.000 0.191 1064 N C 1.897 177.479 175.510 0.120 0.000 1.042 1064 N CA 1.934 55.017 53.050 0.056 0.000 0.845 1064 N CB -0.365 38.128 38.487 0.010 0.000 1.024 1064 N HN 0.395 nan 8.380 nan 0.000 0.424 1065 A N 1.058 123.917 122.820 0.066 0.000 1.972 1065 A HA 0.005 4.325 4.320 -0.001 0.000 0.219 1065 A C 2.354 179.968 177.584 0.050 0.000 1.169 1065 A CA 1.841 53.909 52.037 0.052 0.000 0.635 1065 A CB -0.675 18.341 19.000 0.026 0.000 0.810 1065 A HN 0.364 nan 8.150 nan 0.000 0.446 1066 A N -0.719 122.139 122.820 0.063 0.000 1.851 1066 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 1066 A C 2.125 179.753 177.584 0.073 0.000 1.195 1066 A CA 1.795 53.865 52.037 0.056 0.000 0.622 1066 A CB -1.069 17.968 19.000 0.063 0.000 0.831 1066 A HN 0.860 nan 8.150 nan 0.000 0.444 1067 Y N 0.649 120.951 120.300 0.002 0.000 2.030 1067 Y HA -0.306 4.243 4.550 -0.001 0.000 0.274 1067 Y C 2.318 178.219 175.900 0.001 0.000 1.153 1067 Y CA 2.610 60.714 58.100 0.006 0.000 1.115 1067 Y CB -0.821 37.646 38.460 0.012 0.000 0.969 1067 Y HN 0.516 nan 8.280 nan 0.000 0.488 1068 E N 0.240 120.306 120.200 -0.224 0.000 2.086 1068 E HA -0.322 4.027 4.350 -0.001 0.000 0.200 1068 E C 2.270 178.733 176.600 -0.227 0.000 1.012 1068 E CA 1.621 57.838 56.400 -0.305 0.000 0.812 1068 E CB -0.517 29.168 29.700 -0.025 0.000 0.743 1068 E HN 0.627 nan 8.360 nan 0.000 0.453 1069 A N 0.886 123.636 122.820 -0.117 0.000 1.883 1069 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 1069 A C 2.198 179.718 177.584 -0.108 0.000 1.186 1069 A CA 1.725 53.710 52.037 -0.086 0.000 0.624 1069 A CB -0.700 18.272 19.000 -0.046 0.000 0.822 1069 A HN 0.384 nan 8.150 nan 0.000 0.444 1070 I N -0.065 120.432 120.570 -0.122 0.000 2.286 1070 I HA -0.222 3.948 4.170 -0.001 0.000 0.248 1070 I C 2.102 178.127 176.117 -0.153 0.000 1.115 1070 I CA 0.721 61.955 61.300 -0.110 0.000 1.392 1070 I CB -0.373 37.581 38.000 -0.076 0.000 1.065 1070 I HN 0.234 nan 8.210 nan 0.000 0.418 1071 I N 1.325 121.732 120.570 -0.272 0.000 2.248 1071 I HA -0.280 3.889 4.170 -0.001 0.000 0.248 1071 I C 2.251 178.273 176.117 -0.159 0.000 1.107 1071 I CA 1.899 63.034 61.300 -0.275 0.000 1.373 1071 I CB -0.941 36.792 38.000 -0.445 0.000 1.055 1071 I HN 0.306 nan 8.210 nan 0.000 0.418 1072 K N -0.009 120.309 120.400 -0.138 0.000 2.361 1072 K HA 0.167 4.486 4.320 -0.001 0.000 0.196 1072 K C 1.122 177.682 176.600 -0.068 0.000 1.039 1072 K CA 0.690 56.924 56.287 -0.088 0.000 1.001 1072 K CB 0.076 32.530 32.500 -0.077 0.000 0.795 1072 K HN 0.417 nan 8.250 nan 0.000 0.495 1073 G N 1.738 110.495 108.800 -0.071 0.000 2.165 1073 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.226 1073 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.226 1073 G C -0.346 174.525 174.900 -0.047 0.000 1.035 1073 G CA -0.258 44.810 45.100 -0.053 0.000 0.744 1073 G HN 0.221 nan 8.290 nan 0.000 0.501 1074 E N -0.481 119.687 120.200 -0.053 0.000 2.267 1074 E HA 0.382 4.731 4.350 -0.001 0.000 0.258 1074 E C -0.860 175.714 176.600 -0.043 0.000 1.074 1074 E CA -0.782 55.591 56.400 -0.045 0.000 0.915 1074 E CB 0.763 30.436 29.700 -0.046 0.000 1.186 1074 E HN 0.119 nan 8.360 nan 0.000 0.439 1075 D N 1.479 121.855 120.400 -0.040 0.000 2.359 1075 D HA 0.134 4.774 4.640 -0.001 0.000 0.230 1075 D C -0.288 175.988 176.300 -0.040 0.000 1.118 1075 D CA -0.318 53.656 54.000 -0.043 0.000 0.844 1075 D CB 1.025 41.797 40.800 -0.047 0.000 1.059 1075 D HN 0.232 nan 8.370 nan 0.000 0.493 1076 V N 2.179 122.071 119.914 -0.037 0.000 2.931 1076 V HA -0.020 4.100 4.120 -0.001 0.000 0.290 1076 V C -2.183 173.897 176.094 -0.023 0.000 1.315 1076 V CA -0.898 61.387 62.300 -0.025 0.000 1.393 1076 V CB -0.534 31.276 31.823 -0.020 0.000 0.887 1076 V HN 0.354 nan 8.190 nan 0.000 0.520 1077 P HA 0.315 nan 4.420 nan 0.000 0.276 1077 P C -0.477 176.826 177.300 0.004 0.000 1.261 1077 P CA -0.414 62.683 63.100 -0.004 0.000 0.800 1077 P CB 0.396 32.097 31.700 0.002 0.000 1.066 1078 E N 1.182 121.389 120.200 0.012 0.000 2.313 1078 E HA 0.199 4.549 4.350 -0.001 0.000 0.276 1078 E C -2.010 174.606 176.600 0.026 0.000 1.031 1078 E CA -1.801 54.618 56.400 0.031 0.000 0.857 1078 E CB -0.764 28.959 29.700 0.038 0.000 1.040 1078 E HN 0.291 nan 8.360 nan 0.000 0.408 1079 P HA -0.104 nan 4.420 nan 0.000 0.259 1079 P C -0.228 177.075 177.300 0.004 0.000 1.155 1079 P CA 0.663 63.772 63.100 0.015 0.000 0.759 1079 P CB 0.464 32.171 31.700 0.012 0.000 0.753 1080 S N 2.350 118.052 115.700 0.004 0.000 2.693 1080 S HA 0.350 4.819 4.470 -0.001 0.000 0.276 1080 S C 0.008 174.607 174.600 -0.002 0.000 1.192 1080 S CA -0.851 57.352 58.200 0.005 0.000 0.994 1080 S CB 0.534 63.741 63.200 0.013 0.000 1.012 1080 S HN 0.127 nan 8.310 nan 0.000 0.550 1081 V N 4.061 123.978 119.914 0.004 0.000 2.740 1081 V HA 0.247 4.366 4.120 -0.001 0.000 0.303 1081 V C -2.076 174.040 176.094 0.036 0.000 1.054 1081 V CA -1.206 61.097 62.300 0.004 0.000 1.106 1081 V CB 0.479 32.321 31.823 0.031 0.000 0.957 1081 V HN 0.753 nan 8.190 nan 0.000 0.486 1082 P HA 0.163 nan 4.420 nan 0.000 0.275 1082 P C 0.659 178.035 177.300 0.126 0.000 1.227 1082 P CA -0.286 62.856 63.100 0.070 0.000 0.781 1082 P CB 0.660 32.391 31.700 0.052 0.000 0.906 1083 E N 1.169 121.433 120.200 0.107 0.000 2.110 1083 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 1083 E C 1.871 178.555 176.600 0.140 0.000 0.988 1083 E CA 1.663 58.135 56.400 0.121 0.000 0.804 1083 E CB -0.580 29.176 29.700 0.093 0.000 0.745 1083 E HN 0.536 nan 8.360 nan 0.000 0.458 1084 S N 0.027 115.811 115.700 0.141 0.000 2.383 1084 S HA -0.178 4.291 4.470 -0.001 0.000 0.229 1084 S C 2.030 176.744 174.600 0.190 0.000 1.030 1084 S CA 0.892 59.179 58.200 0.145 0.000 1.002 1084 S CB -0.590 62.692 63.200 0.137 0.000 0.829 1084 S HN 0.310 nan 8.310 nan 0.000 0.467 1085 F N 2.035 121.996 119.950 0.018 0.000 2.084 1085 F HA 0.030 4.556 4.527 -0.001 0.000 0.296 1085 F C 2.846 178.636 175.800 -0.016 0.000 1.111 1085 F CA 1.338 59.333 58.000 -0.010 0.000 1.224 1085 F CB -0.091 38.884 39.000 -0.043 0.000 0.991 1085 F HN 0.118 nan 8.300 nan 0.000 0.471 1086 R N -0.329 120.212 120.500 0.068 0.000 2.094 1086 R HA -0.212 4.127 4.340 -0.001 0.000 0.239 1086 R C 2.140 178.526 176.300 0.144 0.000 1.137 1086 R CA 1.729 57.851 56.100 0.036 0.000 0.943 1086 R CB -1.174 29.267 30.300 0.236 0.000 0.850 1086 R HN 0.290 nan 8.270 nan 0.000 0.433 1087 V N 2.168 122.158 119.914 0.127 0.000 2.469 1087 V HA -0.218 3.901 4.120 -0.001 0.000 0.251 1087 V C 2.201 178.321 176.094 0.042 0.000 1.064 1087 V CA 1.787 64.144 62.300 0.096 0.000 1.066 1087 V CB -0.351 31.521 31.823 0.082 0.000 0.667 1087 V HN 0.378 nan 8.190 nan 0.000 0.461 1088 L N -0.645 120.572 121.223 -0.010 0.000 1.994 1088 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 1088 L C 2.386 179.192 176.870 -0.107 0.000 1.071 1088 L CA 2.486 57.288 54.840 -0.063 0.000 0.745 1088 L CB -0.501 41.495 42.059 -0.106 0.000 0.892 1088 L HN 0.196 nan 8.230 nan 0.000 0.431 1089 V N 0.472 120.265 119.914 -0.201 0.000 2.231 1089 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 1089 V C 2.818 178.921 176.094 0.015 0.000 1.054 1089 V CA 2.149 64.355 62.300 -0.157 0.000 1.015 1089 V CB -0.965 30.725 31.823 -0.223 0.000 0.638 1089 V HN 0.444 nan 8.190 nan 0.000 0.444 1090 K N 0.001 120.473 120.400 0.121 0.000 2.097 1090 K HA -0.187 4.133 4.320 -0.001 0.000 0.206 1090 K C 2.128 178.745 176.600 0.029 0.000 1.049 1090 K CA 1.547 57.886 56.287 0.088 0.000 0.933 1090 K CB -0.391 32.153 32.500 0.073 0.000 0.717 1090 K HN 0.620 nan 8.250 nan 0.000 0.442 1091 E N 0.601 120.813 120.200 0.020 0.000 2.077 1091 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 1091 E C 2.099 178.700 176.600 0.001 0.000 0.989 1091 E CA 0.880 57.286 56.400 0.009 0.000 0.800 1091 E CB -0.133 29.572 29.700 0.009 0.000 0.746 1091 E HN 0.153 nan 8.360 nan 0.000 0.452 1092 L N 0.907 122.124 121.223 -0.009 0.000 2.191 1092 L HA -0.214 4.126 4.340 -0.001 0.000 0.212 1092 L C 2.483 179.350 176.870 -0.005 0.000 1.103 1092 L CA 0.860 55.692 54.840 -0.013 0.000 0.769 1092 L CB -0.197 41.841 42.059 -0.035 0.000 0.908 1092 L HN 0.141 nan 8.230 nan 0.000 0.438 1093 Q N -0.533 119.269 119.800 0.004 0.000 2.187 1093 Q HA -0.040 4.299 4.340 -0.001 0.000 0.199 1093 Q C 2.510 178.512 176.000 0.003 0.000 0.957 1093 Q CA 1.244 57.053 55.803 0.009 0.000 0.857 1093 Q CB -0.185 28.567 28.738 0.024 0.000 0.929 1093 Q HN 0.524 nan 8.270 nan 0.000 0.453 1094 A N 1.048 123.869 122.820 0.001 0.000 1.948 1094 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 1094 A C 1.196 178.779 177.584 -0.001 0.000 1.177 1094 A CA 0.958 52.994 52.037 -0.002 0.000 0.636 1094 A CB -0.546 18.453 19.000 -0.001 0.000 0.815 1094 A HN 0.230 nan 8.150 nan 0.000 0.449 1095 L N -2.331 118.893 121.223 0.000 0.000 2.399 1095 L HA 0.493 4.832 4.340 -0.001 0.000 0.266 1095 L C 1.794 178.665 176.870 0.001 0.000 1.114 1095 L CA 0.065 54.905 54.840 0.001 0.000 0.804 1095 L CB 0.544 42.604 42.059 0.001 0.000 1.146 1095 L HN 0.249 nan 8.230 nan 0.000 0.451 1096 A N 2.742 125.563 122.820 0.001 0.000 1.893 1096 A HA -0.158 4.161 4.320 -0.001 0.000 0.222 1096 A C 0.964 178.549 177.584 0.002 0.000 1.309 1096 A CA 1.277 53.316 52.037 0.002 0.000 0.681 1096 A CB -1.026 17.976 19.000 0.002 0.000 0.842 1096 A HN 0.543 nan 8.150 nan 0.000 0.468 1097 L N 0.207 121.431 121.223 0.002 0.000 2.781 1097 L HA -0.068 4.272 4.340 -0.001 0.000 0.308 1097 L C 0.049 176.920 176.870 0.002 0.000 1.240 1097 L CA 1.058 55.899 54.840 0.002 0.000 0.873 1097 L CB -1.165 40.894 42.059 -0.001 0.000 1.144 1097 L HN 0.658 nan 8.230 nan 0.000 0.505 1098 D N 2.693 123.095 120.400 0.003 0.000 2.414 1098 D HA 0.428 5.068 4.640 -0.001 0.000 0.232 1098 D C -0.789 175.511 176.300 0.001 0.000 1.070 1098 D CA -0.450 53.554 54.000 0.006 0.000 0.839 1098 D CB 1.239 42.045 40.800 0.010 0.000 1.079 1098 D HN 0.174 nan 8.370 nan 0.000 0.521 1099 V N 4.030 123.939 119.914 -0.008 0.000 2.328 1099 V HA 0.427 4.547 4.120 -0.001 0.000 0.278 1099 V C -0.166 175.914 176.094 -0.024 0.000 1.021 1099 V CA -0.718 61.567 62.300 -0.026 0.000 0.838 1099 V CB 0.734 32.516 31.823 -0.068 0.000 0.999 1099 V HN 0.574 nan 8.190 nan 0.000 0.447 1100 Q N 3.540 123.336 119.800 -0.007 0.000 2.340 1100 Q HA 0.524 4.864 4.340 -0.001 0.000 0.268 1100 Q C -0.067 175.939 176.000 0.010 0.000 1.031 1100 Q CA -0.238 55.566 55.803 0.002 0.000 0.804 1100 Q CB 1.981 30.728 28.738 0.016 0.000 1.286 1100 Q HN 0.865 nan 8.270 nan 0.000 0.448 1101 T N 2.373 116.934 114.554 0.011 0.000 2.860 1101 T HA 0.559 4.908 4.350 -0.001 0.000 0.299 1101 T C -0.331 174.385 174.700 0.027 0.000 1.045 1101 T CA -0.102 62.019 62.100 0.035 0.000 1.071 1101 T CB 0.295 69.190 68.868 0.045 0.000 0.985 1101 T HN 0.490 nan 8.240 nan 0.000 0.537 1102 L N 1.821 123.061 121.223 0.028 0.000 2.250 1102 L HA 0.650 4.990 4.340 -0.001 0.000 0.252 1102 L C -0.058 176.822 176.870 0.017 0.000 1.054 1102 L CA -0.938 53.915 54.840 0.020 0.000 0.856 1102 L CB 1.900 43.971 42.059 0.019 0.000 1.443 1102 L HN 0.714 nan 8.230 nan 0.000 0.427 1103 D N -1.201 119.207 120.400 0.014 0.000 2.567 1103 D HA 0.272 4.912 4.640 -0.001 0.000 0.275 1103 D C 0.727 177.032 176.300 0.008 0.000 1.195 1103 D CA -0.227 53.780 54.000 0.011 0.000 1.087 1103 D CB 0.954 41.761 40.800 0.011 0.000 1.165 1103 D HN 0.547 nan 8.370 nan 0.000 0.609 1104 E N -0.249 119.955 120.200 0.007 0.000 2.033 1104 E HA -0.135 4.214 4.350 -0.001 0.000 0.199 1104 E C 0.118 176.722 176.600 0.006 0.000 1.011 1104 E CA 1.368 57.771 56.400 0.005 0.000 0.815 1104 E CB -0.240 29.463 29.700 0.004 0.000 0.755 1104 E HN 0.357 nan 8.360 nan 0.000 0.451 1105 K N 1.476 121.880 120.400 0.007 0.000 2.174 1105 K HA 0.158 4.478 4.320 -0.001 0.000 0.275 1105 K C -0.654 175.951 176.600 0.008 0.000 1.015 1105 K CA -0.456 55.835 56.287 0.007 0.000 0.933 1105 K CB 0.896 33.400 32.500 0.007 0.000 1.025 1105 K HN -0.191 nan 8.250 nan 0.000 0.463 1106 D N 3.150 123.555 120.400 0.009 0.000 2.426 1106 D HA 0.021 4.661 4.640 -0.001 0.000 0.271 1106 D C -0.664 175.643 176.300 0.011 0.000 1.376 1106 D CA 0.707 54.713 54.000 0.010 0.000 1.149 1106 D CB -0.076 40.730 40.800 0.010 0.000 1.118 1106 D HN 0.430 nan 8.370 nan 0.000 0.529 1107 N N 1.810 120.517 118.700 0.012 0.000 2.610 1107 N HA 0.348 5.087 4.740 -0.001 0.000 0.264 1107 N C -2.716 172.803 175.510 0.015 0.000 1.348 1107 N CA -1.355 51.703 53.050 0.013 0.000 0.819 1107 N CB 2.563 41.057 38.487 0.012 0.000 1.521 1107 N HN -0.094 nan 8.380 nan 0.000 0.497 1108 P HA 0.190 nan 4.420 nan 0.000 0.271 1108 P C -0.747 176.565 177.300 0.019 0.000 1.233 1108 P CA -0.066 63.046 63.100 0.020 0.000 0.789 1108 P CB 0.769 32.483 31.700 0.023 0.000 0.951 1109 V N 0.704 120.631 119.914 0.020 0.000 3.048 1109 V HA 0.354 4.474 4.120 -0.001 0.000 0.303 1109 V C -1.012 175.094 176.094 0.020 0.000 1.214 1109 V CA -0.469 61.842 62.300 0.019 0.000 0.984 1109 V CB 2.542 34.374 31.823 0.016 0.000 1.054 1109 V HN 0.418 nan 8.190 nan 0.000 0.430 1110 D N 1.913 122.326 120.400 0.022 0.000 2.408 1110 D HA 0.503 5.143 4.640 -0.001 0.000 0.243 1110 D C 0.795 177.097 176.300 0.005 0.000 1.075 1110 D CA -0.419 53.597 54.000 0.026 0.000 0.832 1110 D CB 1.813 42.647 40.800 0.055 0.000 1.162 1110 D HN 0.517 nan 8.370 nan 0.000 0.515 1111 I N 0.128 120.661 120.570 -0.061 0.000 2.260 1111 I HA 0.143 4.313 4.170 -0.001 0.000 0.237 1111 I C 0.837 176.885 176.117 -0.116 0.000 1.075 1111 I CA 0.283 61.501 61.300 -0.137 0.000 1.376 1111 I CB -0.501 37.329 38.000 -0.283 0.000 1.107 1111 I HN 0.093 nan 8.210 nan 0.000 0.420 1112 F N 2.765 122.741 119.950 0.044 0.000 2.506 1112 F HA 0.065 4.591 4.527 -0.001 0.000 0.369 1112 F C 1.653 177.467 175.800 0.024 0.000 1.114 1112 F CA -0.026 57.991 58.000 0.028 0.000 1.121 1112 F CB 0.092 39.100 39.000 0.014 0.000 1.104 1112 F HN 0.129 nan 8.300 nan 0.000 0.564 1113 E N 2.558 122.866 120.200 0.180 0.000 2.147 1113 E HA -0.170 4.179 4.350 -0.001 0.000 0.199 1113 E C 1.870 178.528 176.600 0.097 0.000 1.005 1113 E CA 1.813 58.276 56.400 0.106 0.000 0.810 1113 E CB -0.017 29.729 29.700 0.076 0.000 0.736 1113 E HN 0.875 nan 8.360 nan 0.000 0.460 1114 G N -2.082 106.778 108.800 0.100 0.000 4.731 1114 G HA2 0.057 4.016 3.960 -0.001 0.000 0.224 1114 G HA3 0.057 4.016 3.960 -0.001 0.000 0.224 1114 G C 0.272 175.198 174.900 0.044 0.000 0.955 1114 G CA -0.284 44.856 45.100 0.066 0.000 0.809 1114 G HN 0.015 nan 8.290 nan 0.000 0.307 1115 L N 0.858 122.106 121.223 0.043 0.000 2.585 1115 L HA 0.461 4.801 4.340 -0.001 0.000 0.226 1115 L C 2.510 179.342 176.870 -0.064 0.000 1.113 1115 L CA 1.357 56.186 54.840 -0.018 0.000 0.876 1115 L CB 0.299 42.335 42.059 -0.038 0.000 1.072 1115 L HN 0.217 nan 8.230 nan 0.000 0.468 1116 A N -1.296 121.509 122.820 -0.025 0.000 2.030 1116 A HA 0.125 4.444 4.320 -0.001 0.000 0.215 1116 A C 1.373 178.952 177.584 -0.007 0.000 1.164 1116 A CA 0.123 52.131 52.037 -0.049 0.000 0.697 1116 A CB -0.326 18.706 19.000 0.054 0.000 0.827 1116 A HN 0.308 nan 8.150 nan 0.000 0.457 1117 S N 1.374 117.084 115.700 0.018 0.000 2.563 1117 S HA 0.213 4.682 4.470 -0.001 0.000 0.284 1117 S C -0.073 174.525 174.600 -0.003 0.000 1.331 1117 S CA 0.003 58.212 58.200 0.014 0.000 1.047 1117 S CB 0.399 63.612 63.200 0.020 0.000 0.859 1117 S HN 0.452 nan 8.310 nan 0.000 0.514 1118 K N 2.468 122.866 120.400 -0.003 0.000 2.143 1118 K HA 0.505 4.824 4.320 -0.001 0.000 0.272 1118 K C -0.002 176.594 176.600 -0.008 0.000 1.001 1118 K CA -0.768 55.513 56.287 -0.010 0.000 0.915 1118 K CB 0.604 33.098 32.500 -0.010 0.000 1.047 1118 K HN 0.528 nan 8.250 nan 0.000 0.458 1119 R N 0.000 120.493 120.500 -0.011 0.000 2.786 1119 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 1119 R CA 0.000 56.094 56.100 -0.009 0.000 0.921 1119 R CB 0.000 30.296 30.300 -0.006 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535