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 2o5i_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 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.609 32.600 0.016 0.000 1.302 2 E N 2.769 122.940 120.200 -0.047 0.000 2.221 2 E HA 0.725 5.075 4.350 -0.001 0.000 0.268 2 E C -1.233 175.289 176.600 -0.130 0.000 0.933 2 E CA -0.971 55.386 56.400 -0.071 0.000 0.809 2 E CB 2.397 32.048 29.700 -0.081 0.000 1.190 2 E HN 0.340 nan 8.360 nan 0.000 0.406 3 I N 2.108 122.608 120.570 -0.117 0.000 2.466 3 I HA 0.288 4.457 4.170 -0.001 0.000 0.289 3 I C -0.354 175.657 176.117 -0.176 0.000 1.026 3 I CA -0.614 60.593 61.300 -0.156 0.000 1.078 3 I CB 1.418 39.376 38.000 -0.070 0.000 1.249 3 I HN 0.404 nan 8.210 nan 0.000 0.429 4 K N 7.297 127.538 120.400 -0.264 0.000 2.450 4 K HA 0.538 4.858 4.320 -0.001 0.000 0.257 4 K C -0.505 175.891 176.600 -0.340 0.000 0.953 4 K CA -0.678 55.432 56.287 -0.294 0.000 0.844 4 K CB 1.664 33.946 32.500 -0.363 0.000 1.103 4 K HN 0.732 nan 8.250 nan 0.000 0.429 5 R N 3.801 124.162 120.500 -0.233 0.000 2.294 5 R HA 0.274 4.614 4.340 -0.001 0.000 0.319 5 R C -0.268 175.956 176.300 -0.125 0.000 0.984 5 R CA -0.581 55.452 56.100 -0.112 0.000 0.861 5 R CB 0.485 30.776 30.300 -0.014 0.000 1.104 5 R HN 0.354 nan 8.270 nan 0.000 0.451 6 F N 2.039 122.032 119.950 0.072 0.000 2.049 6 F HA 0.134 4.661 4.527 -0.000 0.000 0.288 6 F C 1.905 177.743 175.800 0.063 0.000 1.141 6 F CA 1.099 59.149 58.000 0.083 0.000 1.165 6 F CB -0.783 38.283 39.000 0.109 0.000 1.012 6 F HN 0.776 nan 8.300 nan 0.000 0.475 7 G N 1.526 110.504 108.800 0.296 0.000 2.224 7 G HA2 0.171 4.131 3.960 -0.001 0.000 0.239 7 G HA3 0.171 4.131 3.960 -0.001 0.000 0.239 7 G C -0.287 174.682 174.900 0.115 0.000 1.240 7 G CA -0.399 44.805 45.100 0.173 0.000 0.896 7 G HN 0.071 nan 8.290 nan 0.000 0.496 8 R N 2.288 122.846 120.500 0.097 0.000 2.415 8 R HA 0.280 4.620 4.340 -0.001 0.000 0.292 8 R C -0.875 175.457 176.300 0.053 0.000 1.295 8 R CA -0.929 55.211 56.100 0.067 0.000 1.137 8 R CB 0.575 30.912 30.300 0.061 0.000 1.135 8 R HN 0.521 nan 8.270 nan 0.000 0.560 9 I N -0.620 119.978 120.570 0.046 0.000 2.476 9 I HA 0.406 4.576 4.170 -0.001 0.000 0.281 9 I C 0.246 176.377 176.117 0.023 0.000 1.040 9 I CA -1.061 60.258 61.300 0.032 0.000 1.094 9 I CB 1.251 39.270 38.000 0.033 0.000 1.219 9 I HN -0.082 nan 8.210 nan 0.000 0.450 10 R N 4.440 124.949 120.500 0.014 0.000 2.543 10 R HA 0.058 4.397 4.340 -0.001 0.000 0.348 10 R C -0.190 176.112 176.300 0.003 0.000 0.981 10 R CA 0.250 56.357 56.100 0.010 0.000 1.019 10 R CB -0.161 30.143 30.300 0.006 0.000 0.944 10 R HN 0.644 nan 8.270 nan 0.000 0.425 11 E N 2.463 122.671 120.200 0.014 0.000 2.271 11 E HA -0.075 4.275 4.350 -0.001 0.000 0.255 11 E C 1.066 177.674 176.600 0.013 0.000 1.177 11 E CA -0.095 56.316 56.400 0.017 0.000 0.946 11 E CB 0.796 30.524 29.700 0.046 0.000 1.009 11 E HN 0.270 nan 8.360 nan 0.000 0.451 12 V N 5.364 125.269 119.914 -0.015 0.000 2.427 12 V HA -0.082 4.037 4.120 -0.001 0.000 0.248 12 V C 0.782 176.879 176.094 0.006 0.000 1.051 12 V CA 1.441 63.731 62.300 -0.016 0.000 1.048 12 V CB 0.002 31.797 31.823 -0.047 0.000 0.666 12 V HN 0.541 nan 8.190 nan 0.000 0.456 13 I N -2.627 117.960 120.570 0.029 0.000 2.686 13 I HA 0.627 4.797 4.170 -0.001 0.000 0.295 13 I C -2.878 173.360 176.117 0.202 0.000 1.114 13 I CA -2.456 58.900 61.300 0.093 0.000 1.038 13 I CB 1.612 39.661 38.000 0.081 0.000 1.238 13 I HN -0.092 nan 8.210 nan 0.000 0.420 14 P HA 0.281 nan 4.420 nan 0.000 0.272 14 P C -0.689 176.654 177.300 0.071 0.000 1.240 14 P CA -0.317 62.843 63.100 0.099 0.000 0.791 14 P CB 0.570 32.289 31.700 0.032 0.000 0.978 15 L N 3.056 124.194 121.223 -0.142 0.000 2.456 15 L HA 0.212 4.551 4.340 -0.001 0.000 0.272 15 L C -1.792 174.921 176.870 -0.262 0.000 1.189 15 L CA -1.016 53.531 54.840 -0.489 0.000 0.846 15 L CB -0.597 41.194 42.059 -0.447 0.000 1.111 15 L HN 0.365 nan 8.230 nan 0.000 0.475 16 P HA 0.106 nan 4.420 nan 0.000 0.272 16 P C -2.585 174.646 177.300 -0.115 0.000 1.254 16 P CA -1.016 62.016 63.100 -0.113 0.000 0.795 16 P CB -0.297 31.356 31.700 -0.079 0.000 1.022 17 P HA 0.128 nan 4.420 nan 0.000 0.275 17 P C 0.490 177.742 177.300 -0.081 0.000 1.276 17 P CA 0.034 63.085 63.100 -0.082 0.000 0.782 17 P CB 0.062 31.721 31.700 -0.069 0.000 0.851 18 L N 2.739 123.912 121.223 -0.084 0.000 2.021 18 L HA -0.224 4.115 4.340 -0.001 0.000 0.215 18 L C 1.859 178.695 176.870 -0.057 0.000 1.074 18 L CA 2.256 57.052 54.840 -0.073 0.000 0.760 18 L CB -1.433 40.587 42.059 -0.066 0.000 0.889 18 L HN 0.331 nan 8.230 nan 0.000 0.433 19 T N -1.091 113.432 114.554 -0.052 0.000 3.317 19 T HA -0.042 4.308 4.350 -0.001 0.000 0.250 19 T C 1.462 176.138 174.700 -0.040 0.000 1.106 19 T CA 0.526 62.600 62.100 -0.042 0.000 0.986 19 T CB -0.377 68.464 68.868 -0.046 0.000 1.010 19 T HN 0.546 nan 8.240 nan 0.000 0.560 20 E N 1.699 121.871 120.200 -0.047 0.000 2.086 20 E HA -0.240 4.110 4.350 -0.001 0.000 0.200 20 E C 1.572 178.154 176.600 -0.030 0.000 1.012 20 E CA 1.504 57.877 56.400 -0.045 0.000 0.812 20 E CB -0.624 29.039 29.700 -0.062 0.000 0.743 20 E HN 0.438 nan 8.360 nan 0.000 0.453 21 I N 1.463 122.016 120.570 -0.028 0.000 2.151 21 I HA -0.311 3.859 4.170 -0.001 0.000 0.243 21 I C 2.802 178.926 176.117 0.012 0.000 1.080 21 I CA 1.789 63.080 61.300 -0.014 0.000 1.339 21 I CB -0.542 37.448 38.000 -0.017 0.000 1.039 21 I HN 0.198 nan 8.210 nan 0.000 0.409 22 Q N -0.245 119.563 119.800 0.013 0.000 2.163 22 Q HA -0.035 4.304 4.340 -0.001 0.000 0.198 22 Q C 2.472 178.497 176.000 0.041 0.000 0.954 22 Q CA 1.162 56.987 55.803 0.038 0.000 0.851 22 Q CB 0.093 28.846 28.738 0.026 0.000 0.928 22 Q HN 0.421 nan 8.270 nan 0.000 0.459 23 V N 1.186 121.105 119.914 0.009 0.000 2.255 23 V HA -0.186 3.933 4.120 -0.001 0.000 0.243 23 V C 2.107 178.228 176.094 0.045 0.000 1.038 23 V CA 1.568 63.874 62.300 0.009 0.000 1.008 23 V CB -0.384 31.426 31.823 -0.022 0.000 0.645 23 V HN 0.240 nan 8.190 nan 0.000 0.449 24 E N -0.091 120.124 120.200 0.025 0.000 2.208 24 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 24 E C 2.466 179.099 176.600 0.054 0.000 0.988 24 E CA 1.226 57.641 56.400 0.024 0.000 0.828 24 E CB -0.245 29.453 29.700 -0.004 0.000 0.763 24 E HN 0.505 nan 8.360 nan 0.000 0.478 25 S N -0.136 115.612 115.700 0.081 0.000 2.356 25 S HA -0.182 4.288 4.470 -0.001 0.000 0.223 25 S C 1.817 176.532 174.600 0.192 0.000 1.032 25 S CA 0.820 59.088 58.200 0.114 0.000 1.005 25 S CB -0.228 63.046 63.200 0.123 0.000 0.867 25 S HN 0.283 nan 8.310 nan 0.000 0.449 26 Y N 2.535 122.869 120.300 0.056 0.000 2.571 26 Y HA 0.182 4.731 4.550 -0.001 0.000 0.294 26 Y C 2.321 178.244 175.900 0.038 0.000 1.141 26 Y CA 0.691 58.836 58.100 0.075 0.000 1.308 26 Y CB -0.322 38.196 38.460 0.096 0.000 1.002 26 Y HN 0.252 nan 8.280 nan 0.000 0.551 27 R N 0.157 120.695 120.500 0.064 0.000 2.056 27 R HA -0.131 4.208 4.340 -0.001 0.000 0.227 27 R C 2.270 178.552 176.300 -0.029 0.000 1.149 27 R CA 1.391 57.486 56.100 -0.008 0.000 0.937 27 R CB -0.365 29.939 30.300 0.007 0.000 0.835 27 R HN 0.149 nan 8.270 nan 0.000 0.430 28 R N 0.052 120.553 120.500 0.001 0.000 2.193 28 R HA -0.072 4.267 4.340 -0.001 0.000 0.229 28 R C 2.141 178.433 176.300 -0.014 0.000 1.110 28 R CA 1.055 57.157 56.100 0.003 0.000 0.988 28 R CB -0.161 30.147 30.300 0.014 0.000 0.871 28 R HN 0.385 nan 8.270 nan 0.000 0.458 29 A N 1.302 124.102 122.820 -0.033 0.000 1.835 29 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 29 A C 0.966 178.447 177.584 -0.172 0.000 1.199 29 A CA 1.088 53.081 52.037 -0.073 0.000 0.615 29 A CB -0.378 18.602 19.000 -0.034 0.000 0.838 29 A HN 0.286 nan 8.150 nan 0.000 0.444 30 L N -2.929 118.120 121.223 -0.291 0.000 2.321 30 L HA 0.464 4.804 4.340 -0.001 0.000 0.272 30 L C 0.441 177.265 176.870 -0.077 0.000 1.050 30 L CA -0.200 54.501 54.840 -0.232 0.000 0.893 30 L CB 1.029 42.844 42.059 -0.407 0.000 1.272 30 L HN 0.350 nan 8.230 nan 0.000 0.435 31 Q N 2.451 122.297 119.800 0.076 0.000 2.557 31 Q HA -0.018 4.322 4.340 -0.001 0.000 0.217 31 Q C 1.647 177.697 176.000 0.084 0.000 0.978 31 Q CA 0.719 56.589 55.803 0.112 0.000 0.950 31 Q CB 0.325 29.185 28.738 0.204 0.000 0.991 31 Q HN 0.997 nan 8.270 nan 0.000 0.533 32 A N 0.776 123.633 122.820 0.062 0.000 2.042 32 A HA -0.219 4.101 4.320 -0.001 0.000 0.222 32 A C 1.724 179.272 177.584 -0.060 0.000 1.167 32 A CA 1.709 53.724 52.037 -0.037 0.000 0.649 32 A CB -0.344 18.640 19.000 -0.026 0.000 0.809 32 A HN 0.402 nan 8.150 nan 0.000 0.457 33 D N -0.468 119.909 120.400 -0.038 0.000 2.219 33 D HA -0.030 4.609 4.640 -0.001 0.000 0.205 33 D C 0.667 176.942 176.300 -0.041 0.000 0.970 33 D CA 1.375 55.353 54.000 -0.036 0.000 0.851 33 D CB -0.022 40.763 40.800 -0.025 0.000 0.943 33 D HN 0.353 nan 8.370 nan 0.000 0.488 34 V N -0.692 119.197 119.914 -0.041 0.000 2.547 34 V HA 0.454 4.574 4.120 -0.001 0.000 0.299 34 V C -2.463 173.583 176.094 -0.080 0.000 1.040 34 V CA -2.323 59.952 62.300 -0.043 0.000 0.913 34 V CB 1.196 33.008 31.823 -0.018 0.000 0.992 34 V HN -0.220 nan 8.190 nan 0.000 0.449 35 P HA 0.150 nan 4.420 nan 0.000 0.269 35 P C -2.231 174.997 177.300 -0.120 0.000 1.211 35 P CA -0.883 62.152 63.100 -0.109 0.000 0.781 35 P CB -0.225 31.431 31.700 -0.074 0.000 0.877 36 P HA -0.163 nan 4.420 nan 0.000 0.223 36 P C 1.094 178.378 177.300 -0.025 0.000 1.144 36 P CA 1.315 64.350 63.100 -0.107 0.000 0.783 36 P CB -0.112 31.499 31.700 -0.149 0.000 0.771 37 E N -0.067 120.105 120.200 -0.047 0.000 2.017 37 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 37 E C 0.515 177.113 176.600 -0.004 0.000 0.997 37 E CA 0.783 57.166 56.400 -0.029 0.000 0.804 37 E CB -0.295 29.383 29.700 -0.036 0.000 0.757 37 E HN 0.214 nan 8.360 nan 0.000 0.448 38 K N 1.710 122.109 120.400 -0.002 0.000 2.530 38 K HA -0.081 4.239 4.320 -0.001 0.000 0.280 38 K C 1.059 177.683 176.600 0.040 0.000 1.004 38 K CA 0.408 56.704 56.287 0.014 0.000 1.071 38 K CB 0.428 32.934 32.500 0.011 0.000 0.876 38 K HN 0.040 nan 8.250 nan 0.000 0.487 39 R N 2.012 122.532 120.500 0.033 0.000 2.094 39 R HA -0.147 4.193 4.340 -0.001 0.000 0.239 39 R C 0.216 176.548 176.300 0.054 0.000 1.137 39 R CA 1.255 57.378 56.100 0.038 0.000 0.943 39 R CB -0.290 30.025 30.300 0.026 0.000 0.850 39 R HN 0.653 nan 8.270 nan 0.000 0.433 40 E N 1.785 122.015 120.200 0.050 0.000 2.786 40 E HA -0.130 4.220 4.350 -0.001 0.000 0.229 40 E C -0.311 176.338 176.600 0.082 0.000 1.181 40 E CA 0.449 56.882 56.400 0.055 0.000 0.945 40 E CB -0.465 29.262 29.700 0.045 0.000 1.004 40 E HN 0.438 nan 8.360 nan 0.000 0.515 41 N N 0.700 119.444 118.700 0.074 0.000 2.321 41 N HA 0.034 4.774 4.740 -0.001 0.000 0.242 41 N C 0.010 175.551 175.510 0.053 0.000 1.141 41 N CA -0.434 52.667 53.050 0.084 0.000 0.864 41 N CB 0.491 39.032 38.487 0.090 0.000 1.100 41 N HN 0.155 nan 8.380 nan 0.000 0.510 42 V N -3.469 116.470 119.914 0.040 0.000 3.441 42 V HA 0.834 4.954 4.120 -0.001 0.000 0.300 42 V C 1.437 177.533 176.094 0.004 0.000 1.062 42 V CA -0.091 62.226 62.300 0.029 0.000 1.064 42 V CB 0.270 32.110 31.823 0.028 0.000 1.197 42 V HN 0.423 nan 8.190 nan 0.000 0.451 43 G N 0.089 108.893 108.800 0.007 0.000 2.596 43 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.295 43 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.295 43 G C 0.576 175.440 174.900 -0.060 0.000 1.240 43 G CA 0.414 45.503 45.100 -0.019 0.000 0.985 43 G HN 1.007 nan 8.290 nan 0.000 0.555 44 I N 0.946 121.411 120.570 -0.175 0.000 2.345 44 I HA -0.364 3.806 4.170 -0.001 0.000 0.228 44 I C 2.871 178.843 176.117 -0.241 0.000 0.960 44 I CA 3.132 64.229 61.300 -0.338 0.000 1.262 44 I CB -1.518 36.187 38.000 -0.492 0.000 0.969 44 I HN 0.857 nan 8.210 nan 0.000 0.385 45 Q N 0.238 119.784 119.800 -0.424 0.000 2.152 45 Q HA -0.224 4.116 4.340 -0.001 0.000 0.206 45 Q C 2.180 178.220 176.000 0.066 0.000 0.985 45 Q CA 2.512 58.128 55.803 -0.311 0.000 0.863 45 Q CB -0.087 28.360 28.738 -0.485 0.000 0.904 45 Q HN 0.563 nan 8.270 nan 0.000 0.422 46 A N 0.773 123.614 122.820 0.035 0.000 1.855 46 A HA -0.072 4.248 4.320 -0.001 0.000 0.215 46 A C 2.356 180.012 177.584 0.120 0.000 1.191 46 A CA 1.701 53.790 52.037 0.087 0.000 0.613 46 A CB -1.244 17.791 19.000 0.058 0.000 0.829 46 A HN 0.592 nan 8.150 nan 0.000 0.442 47 A N -1.646 121.237 122.820 0.105 0.000 2.024 47 A HA -0.044 4.275 4.320 -0.001 0.000 0.220 47 A C 1.960 179.644 177.584 0.168 0.000 1.164 47 A CA 1.581 53.684 52.037 0.109 0.000 0.643 47 A CB -0.656 18.417 19.000 0.121 0.000 0.806 47 A HN 0.465 nan 8.150 nan 0.000 0.451 48 F N 0.052 120.022 119.950 0.033 0.000 2.113 48 F HA -0.030 4.496 4.527 -0.001 0.000 0.297 48 F C 2.337 178.193 175.800 0.093 0.000 1.103 48 F CA 1.455 59.436 58.000 -0.032 0.000 1.248 48 F CB -0.574 38.222 39.000 -0.340 0.000 0.999 48 F HN 0.141 nan 8.300 nan 0.000 0.475 49 R N 0.417 121.128 120.500 0.352 0.000 2.189 49 R HA -0.112 4.228 4.340 -0.001 0.000 0.218 49 R C 2.241 178.664 176.300 0.205 0.000 1.074 49 R CA 0.922 57.193 56.100 0.284 0.000 0.991 49 R CB -0.415 30.025 30.300 0.234 0.000 0.883 49 R HN 0.377 nan 8.270 nan 0.000 0.457 50 E N -0.122 120.181 120.200 0.171 0.000 2.118 50 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 50 E C 0.360 177.016 176.600 0.093 0.000 0.992 50 E CA 1.837 58.300 56.400 0.106 0.000 0.804 50 E CB 0.167 29.912 29.700 0.075 0.000 0.741 50 E HN 0.386 nan 8.360 nan 0.000 0.458 51 T N -2.790 111.836 114.554 0.121 0.000 3.170 51 T HA 0.161 4.511 4.350 -0.001 0.000 0.288 51 T C 0.845 175.604 174.700 0.100 0.000 0.992 51 T CA -0.563 61.580 62.100 0.071 0.000 0.909 51 T CB -0.254 68.614 68.868 -0.000 0.000 1.133 51 T HN 0.038 nan 8.240 nan 0.000 0.530 52 F N 3.061 123.041 119.950 0.051 0.000 2.147 52 F HA 0.335 4.861 4.527 -0.001 0.000 0.291 52 F C -1.876 173.934 175.800 0.016 0.000 1.093 52 F CA -0.454 57.554 58.000 0.012 0.000 1.263 52 F CB -0.589 38.375 39.000 -0.060 0.000 1.036 52 F HN 0.003 nan 8.300 nan 0.000 0.481 53 P HA -0.008 nan 4.420 nan 0.000 0.257 53 P C -0.252 177.123 177.300 0.126 0.000 1.359 53 P CA 0.551 63.780 63.100 0.214 0.000 1.239 53 P CB -0.389 31.396 31.700 0.142 0.000 1.549 54 I N 2.182 122.813 120.570 0.101 0.000 2.294 54 I HA 0.156 4.326 4.170 -0.001 0.000 0.295 54 I C 0.085 176.222 176.117 0.033 0.000 1.098 54 I CA -0.498 60.824 61.300 0.036 0.000 1.277 54 I CB 0.312 38.306 38.000 -0.010 0.000 1.434 54 I HN 0.021 nan 8.210 nan 0.000 0.498 55 E N 7.284 127.501 120.200 0.029 0.000 2.081 55 E HA 0.258 4.608 4.350 -0.001 0.000 0.276 55 E C -1.021 175.588 176.600 0.015 0.000 0.950 55 E CA -0.226 56.187 56.400 0.022 0.000 0.776 55 E CB 0.652 30.364 29.700 0.020 0.000 1.094 55 E HN 0.473 nan 8.360 nan 0.000 0.402 56 E N 3.951 124.160 120.200 0.015 0.000 2.220 56 E HA 0.150 4.500 4.350 -0.001 0.000 0.256 56 E C -0.501 176.110 176.600 0.018 0.000 0.881 56 E CA -0.169 56.240 56.400 0.015 0.000 0.766 56 E CB 1.489 31.196 29.700 0.011 0.000 1.187 56 E HN 0.621 nan 8.360 nan 0.000 0.419 57 E N 2.828 123.039 120.200 0.020 0.000 2.357 57 E HA 0.135 4.484 4.350 -0.001 0.000 0.190 57 E C -0.650 175.963 176.600 0.021 0.000 1.022 57 E CA 0.326 56.738 56.400 0.020 0.000 1.068 57 E CB 0.411 30.122 29.700 0.018 0.000 1.465 57 E HN 0.248 nan 8.360 nan 0.000 0.503 58 D N 0.386 120.799 120.400 0.022 0.000 2.492 58 D HA 0.427 5.067 4.640 -0.001 0.000 0.248 58 D C -1.208 175.104 176.300 0.019 0.000 1.101 58 D CA -0.210 53.802 54.000 0.020 0.000 0.840 58 D CB 1.517 42.328 40.800 0.019 0.000 1.209 58 D HN 0.074 nan 8.370 nan 0.000 0.524 59 K N 1.530 121.940 120.400 0.017 0.000 2.429 59 K HA 0.402 4.721 4.320 -0.001 0.000 0.286 59 K C 0.166 176.774 176.600 0.014 0.000 1.592 59 K CA -0.248 56.047 56.287 0.014 0.000 0.894 59 K CB 0.853 33.361 32.500 0.014 0.000 1.417 59 K HN 0.688 nan 8.250 nan 0.000 0.457 60 G N 2.369 111.176 108.800 0.012 0.000 2.742 60 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.255 60 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.255 60 G C -0.843 174.066 174.900 0.015 0.000 1.322 60 G CA 0.082 45.190 45.100 0.012 0.000 0.967 60 G HN 0.333 nan 8.290 nan 0.000 0.556 61 K N 1.299 121.709 120.400 0.018 0.000 2.345 61 K HA 0.635 4.955 4.320 -0.001 0.000 0.255 61 K C 0.317 176.934 176.600 0.028 0.000 0.934 61 K CA 0.230 56.530 56.287 0.022 0.000 0.801 61 K CB 1.314 33.828 32.500 0.023 0.000 1.137 61 K HN 1.242 nan 8.250 nan 0.000 0.424 62 G N 0.461 109.279 108.800 0.030 0.000 3.137 62 G HA2 0.513 4.473 3.960 -0.001 0.000 0.196 62 G HA3 0.513 4.473 3.960 -0.001 0.000 0.196 62 G C 0.236 175.159 174.900 0.038 0.000 1.135 62 G CA -0.050 45.070 45.100 0.033 0.000 0.803 62 G HN 0.916 nan 8.290 nan 0.000 0.619 63 G N -1.140 107.678 108.800 0.030 0.000 2.131 63 G HA2 0.038 3.997 3.960 -0.001 0.000 0.201 63 G HA3 0.038 3.997 3.960 -0.001 0.000 0.201 63 G C 0.226 175.140 174.900 0.023 0.000 1.000 63 G CA 0.316 45.432 45.100 0.027 0.000 0.680 63 G HN 1.398 nan 8.290 nan 0.000 0.514 64 L N 1.047 122.282 121.223 0.019 0.000 2.534 64 L HA 0.560 4.900 4.340 -0.001 0.000 0.271 64 L C 0.086 176.956 176.870 0.000 0.000 1.178 64 L CA 0.151 54.994 54.840 0.004 0.000 0.907 64 L CB 1.122 43.187 42.059 0.010 0.000 1.164 64 L HN 0.236 nan 8.230 nan 0.000 0.482 65 V N 7.050 126.952 119.914 -0.019 0.000 2.445 65 V HA 0.307 4.427 4.120 -0.001 0.000 0.283 65 V C -0.639 175.466 176.094 0.018 0.000 1.014 65 V CA -0.522 61.782 62.300 0.006 0.000 0.852 65 V CB 1.282 33.105 31.823 0.001 0.000 1.021 65 V HN 0.650 nan 8.190 nan 0.000 0.435 66 L N 4.260 125.532 121.223 0.081 0.000 2.272 66 L HA 0.793 5.133 4.340 -0.001 0.000 0.289 66 L C -0.623 176.462 176.870 0.359 0.000 1.032 66 L CA 0.680 55.629 54.840 0.181 0.000 0.810 66 L CB 1.253 43.400 42.059 0.146 0.000 1.205 66 L HN 0.528 nan 8.230 nan 0.000 0.422 67 D N 3.199 123.747 120.400 0.247 0.000 2.601 67 D HA 0.288 4.928 4.640 -0.001 0.000 0.230 67 D C -1.376 174.543 176.300 -0.634 0.000 1.106 67 D CA -0.183 53.792 54.000 -0.041 0.000 0.873 67 D CB 2.150 42.914 40.800 -0.061 0.000 1.515 67 D HN 0.274 nan 8.370 nan 0.000 0.468 68 F N 2.071 121.131 119.950 -1.484 0.000 2.396 68 F HA 0.302 4.828 4.527 -0.001 0.000 0.343 68 F C 0.276 175.675 175.800 -0.668 0.000 1.104 68 F CA -0.340 56.685 58.000 -1.624 0.000 1.161 68 F CB 0.481 38.428 39.000 -1.756 0.000 1.146 68 F HN 0.284 nan 8.300 nan 0.000 0.522 69 L N 2.114 122.873 121.223 -0.773 0.000 2.630 69 L HA 0.388 4.728 4.340 -0.001 0.000 0.180 69 L C -0.515 175.794 176.870 -0.935 0.000 1.221 69 L CA -0.071 54.371 54.840 -0.662 0.000 0.853 69 L CB -0.294 41.583 42.059 -0.303 0.000 1.172 69 L HN 0.376 nan 8.230 nan 0.000 0.508 70 E N -0.521 119.305 120.200 -0.622 0.000 2.321 70 E HA 0.306 4.655 4.350 -0.001 0.000 0.278 70 E C -1.672 175.123 176.600 0.326 0.000 0.902 70 E CA -0.487 55.729 56.400 -0.305 0.000 0.758 70 E CB 1.784 31.375 29.700 -0.180 0.000 1.213 70 E HN 0.162 nan 8.360 nan 0.000 0.426 71 Y N 0.433 121.016 120.300 0.472 0.000 2.341 71 Y HA 0.767 5.317 4.550 -0.000 0.000 0.340 71 Y C -0.183 175.911 175.900 0.323 0.000 0.997 71 Y CA -1.191 57.273 58.100 0.605 0.000 1.149 71 Y CB 0.813 39.725 38.460 0.754 0.000 1.171 71 Y HN 0.430 nan 8.280 nan 0.000 0.494 72 R N 4.471 125.136 120.500 0.274 0.000 2.574 72 R HA 0.764 5.104 4.340 -0.001 0.000 0.288 72 R C -2.321 174.108 176.300 0.215 0.000 1.004 72 R CA -0.958 55.217 56.100 0.124 0.000 0.895 72 R CB 1.422 31.770 30.300 0.080 0.000 1.191 72 R HN 0.837 nan 8.270 nan 0.000 0.444 73 L N -0.086 121.192 121.223 0.092 0.000 2.422 73 L HA 1.028 5.368 4.340 -0.001 0.000 0.264 73 L C 0.245 177.106 176.870 -0.015 0.000 0.984 73 L CA -0.153 54.694 54.840 0.012 0.000 0.819 73 L CB 2.510 44.551 42.059 -0.031 0.000 1.330 73 L HN 0.825 nan 8.230 nan 0.000 0.410 74 G N 0.524 109.298 108.800 -0.044 0.000 3.765 74 G HA2 0.077 4.036 3.960 -0.001 0.000 0.153 74 G HA3 0.077 4.036 3.960 -0.001 0.000 0.153 74 G C -0.326 174.539 174.900 -0.058 0.000 1.286 74 G CA -0.177 44.902 45.100 -0.035 0.000 0.814 74 G HN 0.474 nan 8.290 nan 0.000 0.772 75 E N 2.323 122.480 120.200 -0.071 0.000 2.070 75 E HA 0.513 4.863 4.350 -0.001 0.000 0.261 75 E C -2.516 173.997 176.600 -0.145 0.000 0.926 75 E CA -2.205 54.143 56.400 -0.087 0.000 0.760 75 E CB 1.589 31.254 29.700 -0.059 0.000 1.133 75 E HN 0.085 nan 8.360 nan 0.000 0.420 76 P HA -0.032 nan 4.420 nan 0.000 0.262 76 P C -1.940 175.227 177.300 -0.222 0.000 1.182 76 P CA -0.729 62.218 63.100 -0.254 0.000 0.761 76 P CB 0.522 32.024 31.700 -0.331 0.000 0.795 77 P HA -0.120 nan 4.420 nan 0.000 0.215 77 P C -0.208 176.802 177.300 -0.484 0.000 1.157 77 P CA 1.631 64.634 63.100 -0.161 0.000 0.874 77 P CB 0.089 31.929 31.700 0.234 0.000 0.790 78 F N -3.012 116.865 119.950 -0.122 0.000 2.824 78 F HA 0.526 5.053 4.527 -0.001 0.000 0.330 78 F C -2.380 173.354 175.800 -0.111 0.000 1.175 78 F CA -2.132 55.823 58.000 -0.075 0.000 0.974 78 F CB 0.412 39.399 39.000 -0.021 0.000 1.430 78 F HN -0.314 nan 8.300 nan 0.000 0.507 79 P HA 0.283 nan 4.420 nan 0.000 0.287 79 P C -0.591 176.933 177.300 0.373 0.000 1.290 79 P CA -0.490 62.758 63.100 0.246 0.000 0.889 79 P CB 1.850 33.659 31.700 0.183 0.000 1.190 80 Q N 0.957 121.091 119.800 0.557 0.000 1.928 80 Q HA -0.273 4.067 4.340 -0.001 0.000 0.223 80 Q C 1.343 177.452 176.000 0.182 0.000 1.042 80 Q CA 2.584 58.562 55.803 0.292 0.000 0.892 80 Q CB -1.362 27.377 28.738 0.001 0.000 1.001 80 Q HN 0.546 nan 8.270 nan 0.000 0.419 81 D N 0.441 120.920 120.400 0.131 0.000 2.158 81 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 81 D C 1.852 178.225 176.300 0.121 0.000 0.995 81 D CA 1.011 55.083 54.000 0.121 0.000 0.846 81 D CB -0.088 40.790 40.800 0.130 0.000 0.941 81 D HN 0.232 nan 8.370 nan 0.000 0.456 82 E N -0.348 119.936 120.200 0.139 0.000 2.268 82 E HA -0.102 4.247 4.350 -0.001 0.000 0.195 82 E C 1.817 178.462 176.600 0.075 0.000 0.995 82 E CA 0.379 56.847 56.400 0.113 0.000 0.836 82 E CB -0.049 29.750 29.700 0.165 0.000 0.763 82 E HN 0.418 nan 8.360 nan 0.000 0.491 83 C N -0.348 119.026 119.300 0.124 0.000 2.495 83 C HA 0.127 4.587 4.460 -0.001 0.000 0.275 83 C C 2.488 177.522 174.990 0.073 0.000 1.392 83 C CA -0.095 58.985 59.018 0.103 0.000 1.766 83 C CB -0.638 27.231 27.740 0.215 0.000 1.933 83 C HN 0.313 nan 8.230 nan 0.000 0.519 84 R N 0.596 121.143 120.500 0.080 0.000 2.146 84 R HA 0.004 4.343 4.340 -0.001 0.000 0.206 84 R C 2.177 178.524 176.300 0.078 0.000 1.049 84 R CA 0.525 56.667 56.100 0.071 0.000 1.029 84 R CB -0.113 30.233 30.300 0.077 0.000 0.949 84 R HN 0.597 nan 8.270 nan 0.000 0.471 85 E N 1.284 121.526 120.200 0.071 0.000 2.031 85 E HA -0.107 4.242 4.350 -0.001 0.000 0.193 85 E C -0.288 176.337 176.600 0.041 0.000 0.994 85 E CA 1.153 57.587 56.400 0.057 0.000 0.800 85 E CB 0.279 29.999 29.700 0.035 0.000 0.752 85 E HN 0.047 nan 8.360 nan 0.000 0.447 86 K N 1.326 121.734 120.400 0.013 0.000 2.143 86 K HA 0.155 4.475 4.320 -0.001 0.000 0.272 86 K C -1.084 175.508 176.600 -0.014 0.000 1.001 86 K CA -0.435 55.841 56.287 -0.019 0.000 0.915 86 K CB 1.195 33.646 32.500 -0.082 0.000 1.047 86 K HN 0.005 nan 8.250 nan 0.000 0.458 87 D N 2.674 123.068 120.400 -0.011 0.000 2.429 87 D HA 0.038 4.678 4.640 -0.001 0.000 0.253 87 D C -0.562 175.727 176.300 -0.018 0.000 1.294 87 D CA 0.235 54.236 54.000 0.001 0.000 1.063 87 D CB 0.060 40.865 40.800 0.010 0.000 1.096 87 D HN -0.039 nan 8.370 nan 0.000 0.516 88 L N 1.292 122.510 121.223 -0.008 0.000 2.333 88 L HA 0.565 4.905 4.340 -0.001 0.000 0.263 88 L C -0.315 176.582 176.870 0.046 0.000 1.014 88 L CA -0.675 54.157 54.840 -0.014 0.000 0.820 88 L CB 2.266 44.285 42.059 -0.068 0.000 1.352 88 L HN 0.143 nan 8.230 nan 0.000 0.421 89 T N 1.915 116.505 114.554 0.060 0.000 2.821 89 T HA 0.233 4.583 4.350 -0.001 0.000 0.307 89 T C -0.694 174.084 174.700 0.130 0.000 1.034 89 T CA -0.269 61.891 62.100 0.099 0.000 0.953 89 T CB -0.369 68.548 68.868 0.082 0.000 0.968 89 T HN 0.339 nan 8.240 nan 0.000 0.462 90 Y N 5.736 126.062 120.300 0.043 0.000 2.828 90 Y HA 0.192 4.741 4.550 -0.001 0.000 0.364 90 Y C 0.448 176.356 175.900 0.013 0.000 1.277 90 Y CA 0.551 58.677 58.100 0.042 0.000 1.713 90 Y CB -0.138 38.343 38.460 0.035 0.000 1.278 90 Y HN 0.611 nan 8.280 nan 0.000 0.502 91 Q N 4.348 124.083 119.800 -0.109 0.000 2.331 91 Q HA 0.722 5.062 4.340 -0.001 0.000 0.272 91 Q C -0.993 174.822 176.000 -0.310 0.000 1.062 91 Q CA -1.128 54.599 55.803 -0.127 0.000 0.806 91 Q CB 1.951 30.652 28.738 -0.062 0.000 1.312 91 Q HN 0.679 nan 8.270 nan 0.000 0.431 92 A N 2.851 125.515 122.820 -0.260 0.000 2.322 92 A HA 0.717 5.037 4.320 -0.001 0.000 0.269 92 A C -2.346 174.966 177.584 -0.454 0.000 1.094 92 A CA -1.407 50.447 52.037 -0.304 0.000 0.807 92 A CB 0.049 18.952 19.000 -0.162 0.000 1.047 92 A HN 0.411 nan 8.150 nan 0.000 0.487 93 P HA 0.477 nan 4.420 nan 0.000 0.296 93 P C -1.228 175.869 177.300 -0.339 0.000 1.306 93 P CA -0.384 62.472 63.100 -0.407 0.000 0.818 93 P CB 1.229 32.758 31.700 -0.284 0.000 0.969 94 L N 4.875 125.989 121.223 -0.181 0.000 2.381 94 L HA 0.703 5.042 4.340 -0.001 0.000 0.274 94 L C -1.854 175.052 176.870 0.060 0.000 0.988 94 L CA -1.032 53.760 54.840 -0.080 0.000 0.824 94 L CB 1.079 43.170 42.059 0.055 0.000 1.263 94 L HN 0.264 nan 8.230 nan 0.000 0.410 95 Y N 2.530 123.003 120.300 0.289 0.000 2.332 95 Y HA 0.909 5.459 4.550 -0.000 0.000 0.325 95 Y C -0.379 175.721 175.900 0.333 0.000 1.054 95 Y CA -1.810 56.480 58.100 0.317 0.000 1.119 95 Y CB 0.305 38.922 38.460 0.262 0.000 1.168 95 Y HN 0.905 nan 8.280 nan 0.000 0.439 96 A N 3.626 126.824 122.820 0.629 0.000 2.306 96 A HA 0.778 5.097 4.320 -0.001 0.000 0.330 96 A C -0.041 177.800 177.584 0.429 0.000 1.146 96 A CA -1.213 51.184 52.037 0.601 0.000 0.827 96 A CB 0.826 20.314 19.000 0.812 0.000 1.178 96 A HN 0.815 nan 8.150 nan 0.000 0.490 97 R N -0.204 120.482 120.500 0.310 0.000 2.442 97 R HA 0.405 4.744 4.340 -0.001 0.000 0.291 97 R C -1.401 175.007 176.300 0.181 0.000 1.069 97 R CA 0.057 56.261 56.100 0.173 0.000 1.022 97 R CB 0.171 30.503 30.300 0.053 0.000 0.976 97 R HN 0.504 nan 8.270 nan 0.000 0.443 98 L N 2.282 123.619 121.223 0.189 0.000 2.431 98 L HA 0.378 4.718 4.340 -0.001 0.000 0.266 98 L C -0.761 176.200 176.870 0.151 0.000 0.978 98 L CA -0.751 54.244 54.840 0.258 0.000 0.822 98 L CB 1.730 44.070 42.059 0.469 0.000 1.310 98 L HN 0.572 nan 8.230 nan 0.000 0.409 99 Q N 2.487 122.354 119.800 0.112 0.000 2.285 99 Q HA 0.731 5.070 4.340 -0.001 0.000 0.269 99 Q C -1.420 174.608 176.000 0.047 0.000 1.030 99 Q CA -0.942 54.896 55.803 0.058 0.000 0.788 99 Q CB 2.884 31.628 28.738 0.010 0.000 1.266 99 Q HN 0.626 nan 8.270 nan 0.000 0.438 100 L N 3.832 125.056 121.223 0.001 0.000 2.275 100 L HA 0.488 4.828 4.340 -0.001 0.000 0.288 100 L C -1.092 175.633 176.870 -0.242 0.000 1.046 100 L CA -0.467 54.323 54.840 -0.083 0.000 0.805 100 L CB 0.803 42.812 42.059 -0.084 0.000 1.193 100 L HN 0.662 nan 8.230 nan 0.000 0.426 101 I N 4.067 124.506 120.570 -0.220 0.000 2.834 101 I HA 0.392 4.562 4.170 -0.001 0.000 0.305 101 I C 0.278 176.168 176.117 -0.379 0.000 1.008 101 I CA -0.270 60.898 61.300 -0.221 0.000 1.273 101 I CB 0.787 38.743 38.000 -0.073 0.000 1.432 101 I HN 0.636 nan 8.210 nan 0.000 0.557 102 H N 2.654 121.736 119.070 0.021 0.000 2.821 102 H HA 0.343 4.898 4.556 -0.000 0.000 0.373 102 H C 0.154 175.490 175.328 0.013 0.000 1.165 102 H CA -0.650 55.408 56.048 0.017 0.000 1.154 102 H CB 2.275 32.046 29.762 0.015 0.000 1.765 102 H HN 0.410 nan 8.280 nan 0.000 0.549 103 K N 0.392 120.881 120.400 0.150 0.000 2.366 103 K HA -0.006 4.313 4.320 -0.001 0.000 0.198 103 K C -0.254 176.387 176.600 0.068 0.000 1.044 103 K CA 0.585 56.921 56.287 0.082 0.000 0.973 103 K CB 0.332 32.866 32.500 0.057 0.000 0.767 103 K HN 0.527 nan 8.250 nan 0.000 0.475 104 D N -0.016 120.431 120.400 0.078 0.000 2.326 104 D HA -0.006 4.633 4.640 -0.001 0.000 0.251 104 D C -0.148 176.180 176.300 0.047 0.000 1.023 104 D CA -0.399 53.621 54.000 0.034 0.000 0.966 104 D CB 0.890 41.683 40.800 -0.012 0.000 1.156 104 D HN -0.274 nan 8.370 nan 0.000 0.494 105 T N -0.459 114.109 114.554 0.023 0.000 2.765 105 T HA 0.431 4.780 4.350 -0.001 0.000 0.284 105 T C 0.108 174.828 174.700 0.034 0.000 0.946 105 T CA 0.434 62.553 62.100 0.031 0.000 1.185 105 T CB -0.911 67.966 68.868 0.015 0.000 0.887 105 T HN 0.668 nan 8.240 nan 0.000 0.532 106 G N 4.435 113.287 108.800 0.085 0.000 2.249 106 G HA2 0.308 4.268 3.960 -0.001 0.000 0.252 106 G HA3 0.308 4.268 3.960 -0.001 0.000 0.252 106 G C -1.584 173.485 174.900 0.282 0.000 1.697 106 G CA -1.014 44.164 45.100 0.130 0.000 0.916 106 G HN 0.827 nan 8.290 nan 0.000 0.725 107 L N 3.237 124.570 121.223 0.184 0.000 2.471 107 L HA 0.497 4.837 4.340 -0.001 0.000 0.263 107 L C 0.027 176.948 176.870 0.085 0.000 0.985 107 L CA -0.723 54.181 54.840 0.108 0.000 0.868 107 L CB 1.612 43.693 42.059 0.037 0.000 1.203 107 L HN 0.423 nan 8.230 nan 0.000 0.429 108 I N 3.029 123.659 120.570 0.100 0.000 2.342 108 I HA 0.255 4.425 4.170 -0.001 0.000 0.291 108 I C 0.272 176.419 176.117 0.049 0.000 1.010 108 I CA -0.291 61.062 61.300 0.087 0.000 1.308 108 I CB 1.644 39.723 38.000 0.131 0.000 1.400 108 I HN 0.548 nan 8.210 nan 0.000 0.488 109 K N 6.678 127.104 120.400 0.043 0.000 2.347 109 K HA 0.170 4.490 4.320 -0.001 0.000 0.262 109 K C -0.313 176.314 176.600 0.045 0.000 1.052 109 K CA -0.446 55.864 56.287 0.039 0.000 0.946 109 K CB 0.805 33.317 32.500 0.021 0.000 1.220 109 K HN 0.448 nan 8.250 nan 0.000 0.450 110 E N 4.292 124.529 120.200 0.062 0.000 1.936 110 E HA 0.018 4.368 4.350 -0.001 0.000 0.267 110 E C -0.368 176.275 176.600 0.073 0.000 1.076 110 E CA 0.019 56.457 56.400 0.063 0.000 0.870 110 E CB 0.622 30.367 29.700 0.074 0.000 1.093 110 E HN 0.652 nan 8.360 nan 0.000 0.411 111 D N 2.185 122.611 120.400 0.043 0.000 2.355 111 D HA -0.222 4.418 4.640 -0.001 0.000 0.192 111 D C 0.065 176.392 176.300 0.045 0.000 1.014 111 D CA 1.720 55.736 54.000 0.026 0.000 0.862 111 D CB 0.274 41.063 40.800 -0.019 0.000 0.986 111 D HN 0.450 nan 8.370 nan 0.000 0.456 112 E N -0.559 119.650 120.200 0.015 0.000 2.227 112 E HA 0.530 4.880 4.350 -0.001 0.000 0.268 112 E C -0.860 175.841 176.600 0.168 0.000 0.907 112 E CA -0.735 55.681 56.400 0.027 0.000 0.786 112 E CB 2.764 32.295 29.700 -0.281 0.000 1.191 112 E HN -0.083 nan 8.360 nan 0.000 0.411 113 V N 1.415 121.529 119.914 0.332 0.000 2.568 113 V HA 0.206 4.326 4.120 -0.001 0.000 0.276 113 V C -0.667 175.757 176.094 0.551 0.000 1.002 113 V CA -1.094 61.437 62.300 0.386 0.000 0.879 113 V CB 0.047 32.028 31.823 0.264 0.000 1.040 113 V HN 0.578 nan 8.190 nan 0.000 0.457 114 F N 5.327 125.490 119.950 0.354 0.000 2.464 114 F HA 0.784 5.311 4.527 -0.001 0.000 0.353 114 F C -0.417 175.462 175.800 0.132 0.000 1.191 114 F CA -2.095 56.055 58.000 0.250 0.000 1.147 114 F CB 0.125 39.224 39.000 0.166 0.000 1.294 114 F HN 0.384 nan 8.300 nan 0.000 0.583 115 L N 2.489 123.823 121.223 0.185 0.000 2.276 115 L HA 0.991 5.331 4.340 -0.001 0.000 0.286 115 L C 0.143 177.070 176.870 0.096 0.000 1.024 115 L CA -0.743 54.129 54.840 0.054 0.000 0.826 115 L CB 1.052 43.159 42.059 0.080 0.000 1.211 115 L HN 1.077 nan 8.230 nan 0.000 0.422 116 G N 1.357 110.181 108.800 0.041 0.000 3.172 116 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.686 116 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.686 116 G C -1.108 173.954 174.900 0.269 0.000 1.009 116 G CA -0.779 44.398 45.100 0.129 0.000 0.787 116 G HN 0.948 nan 8.290 nan 0.000 0.559 117 H N 1.078 120.157 119.070 0.015 0.000 2.718 117 H HA 0.540 5.096 4.556 -0.001 0.000 0.295 117 H C 0.934 176.255 175.328 -0.010 0.000 1.051 117 H CA -0.342 55.708 56.048 0.004 0.000 1.260 117 H CB 0.793 30.558 29.762 0.005 0.000 1.403 117 H HN 0.850 nan 8.280 nan 0.000 0.488 118 I N 1.625 122.192 120.570 -0.006 0.000 2.353 118 I HA 0.574 4.744 4.170 -0.001 0.000 0.293 118 I C -2.697 173.354 176.117 -0.111 0.000 0.992 118 I CA -2.444 58.818 61.300 -0.064 0.000 1.268 118 I CB 1.976 39.944 38.000 -0.053 0.000 1.387 118 I HN 0.218 nan 8.210 nan 0.000 0.478 119 P HA 0.190 nan 4.420 nan 0.000 0.268 119 P C -0.867 176.513 177.300 0.133 0.000 1.208 119 P CA 0.113 63.125 63.100 -0.146 0.000 0.777 119 P CB 0.607 31.962 31.700 -0.576 0.000 0.875 120 L N 1.416 122.797 121.223 0.264 0.000 2.313 120 L HA 0.599 4.938 4.340 -0.001 0.000 0.268 120 L C 0.272 177.180 176.870 0.062 0.000 1.010 120 L CA -1.071 53.943 54.840 0.290 0.000 0.814 120 L CB 1.404 43.680 42.059 0.362 0.000 1.304 120 L HN 0.296 nan 8.230 nan 0.000 0.441 121 M N 0.371 119.933 119.600 -0.063 0.000 2.238 121 M HA 0.322 4.801 4.480 -0.001 0.000 0.350 121 M C -0.259 175.837 176.300 -0.341 0.000 1.138 121 M CA -0.040 54.984 55.300 -0.459 0.000 1.040 121 M CB 1.519 33.927 32.600 -0.320 0.000 1.639 121 M HN 0.525 nan 8.290 nan 0.000 0.451 122 T N 2.813 117.114 114.554 -0.420 0.000 2.856 122 T HA 0.045 4.394 4.350 -0.001 0.000 0.306 122 T C 1.059 175.625 174.700 -0.223 0.000 1.062 122 T CA -0.363 61.547 62.100 -0.316 0.000 1.083 122 T CB 0.583 69.276 68.868 -0.291 0.000 0.984 122 T HN 0.730 nan 8.240 nan 0.000 0.542 123 E N 0.638 120.736 120.200 -0.169 0.000 2.267 123 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 123 E C 1.506 178.036 176.600 -0.117 0.000 0.998 123 E CA 1.447 57.774 56.400 -0.123 0.000 0.830 123 E CB 0.012 29.651 29.700 -0.102 0.000 0.751 123 E HN 0.707 nan 8.360 nan 0.000 0.491 124 D N -1.737 118.584 120.400 -0.132 0.000 2.183 124 D HA -0.013 4.626 4.640 -0.001 0.000 0.205 124 D C 1.422 177.656 176.300 -0.109 0.000 0.962 124 D CA 1.122 55.058 54.000 -0.107 0.000 0.849 124 D CB 0.033 40.772 40.800 -0.100 0.000 0.978 124 D HN 0.194 nan 8.370 nan 0.000 0.488 125 G N -0.702 108.004 108.800 -0.158 0.000 2.672 125 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.197 125 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.197 125 G C 0.259 175.032 174.900 -0.212 0.000 0.995 125 G CA 0.174 45.175 45.100 -0.164 0.000 0.754 125 G HN 0.696 nan 8.290 nan 0.000 0.505 126 S N -0.195 115.391 115.700 -0.190 0.000 2.687 126 S HA 0.882 5.352 4.470 -0.001 0.000 0.283 126 S C 0.098 174.543 174.600 -0.258 0.000 1.170 126 S CA -0.514 57.634 58.200 -0.087 0.000 1.008 126 S CB 1.464 64.651 63.200 -0.022 0.000 1.026 126 S HN 0.301 nan 8.310 nan 0.000 0.541 127 F N 0.258 120.158 119.950 -0.084 0.000 2.561 127 F HA 0.668 5.195 4.527 -0.001 0.000 0.384 127 F C 0.191 175.932 175.800 -0.099 0.000 1.131 127 F CA -1.323 56.634 58.000 -0.072 0.000 1.133 127 F CB 0.668 39.684 39.000 0.026 0.000 1.506 127 F HN 0.433 nan 8.300 nan 0.000 0.499 128 I N 1.234 121.916 120.570 0.188 0.000 2.649 128 I HA 0.147 4.316 4.170 -0.001 0.000 0.275 128 I C -0.552 175.645 176.117 0.133 0.000 1.180 128 I CA -0.034 61.318 61.300 0.086 0.000 1.049 128 I CB 1.086 39.107 38.000 0.035 0.000 1.234 128 I HN 0.431 nan 8.210 nan 0.000 0.506 129 I N 3.353 123.982 120.570 0.098 0.000 2.558 129 I HA 0.033 4.202 4.170 -0.001 0.000 0.229 129 I C 0.738 176.897 176.117 0.070 0.000 1.060 129 I CA 1.075 62.433 61.300 0.097 0.000 1.396 129 I CB -0.026 38.028 38.000 0.090 0.000 1.207 129 I HN 0.425 nan 8.210 nan 0.000 0.423 130 N N -0.004 118.722 118.700 0.042 0.000 2.626 130 N HA 0.457 5.196 4.740 -0.001 0.000 0.249 130 N C 0.404 175.929 175.510 0.024 0.000 1.021 130 N CA 0.623 53.697 53.050 0.040 0.000 0.886 130 N CB 1.432 39.947 38.487 0.046 0.000 1.149 130 N HN 0.515 nan 8.380 nan 0.000 0.517 131 G N 1.675 110.489 108.800 0.023 0.000 2.855 131 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.231 131 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.231 131 G C 0.331 175.206 174.900 -0.041 0.000 1.242 131 G CA 0.464 45.573 45.100 0.015 0.000 0.789 131 G HN 0.851 nan 8.290 nan 0.000 0.517 132 A N 0.720 123.470 122.820 -0.117 0.000 2.312 132 A HA 0.618 4.937 4.320 -0.001 0.000 0.326 132 A C -0.351 177.028 177.584 -0.342 0.000 1.172 132 A CA 0.034 51.855 52.037 -0.359 0.000 0.821 132 A CB 0.697 19.235 19.000 -0.770 0.000 1.166 132 A HN 0.315 nan 8.150 nan 0.000 0.493 133 D N 1.856 122.040 120.400 -0.361 0.000 2.425 133 D HA 0.313 4.953 4.640 -0.001 0.000 0.247 133 D C 0.362 176.511 176.300 -0.252 0.000 1.147 133 D CA 0.690 54.556 54.000 -0.223 0.000 0.879 133 D CB 0.514 41.203 40.800 -0.187 0.000 1.179 133 D HN 0.463 nan 8.370 nan 0.000 0.456 134 R N 0.758 121.224 120.500 -0.058 0.000 2.919 134 R HA 0.788 5.128 4.340 -0.001 0.000 0.260 134 R C -0.907 175.456 176.300 0.105 0.000 1.067 134 R CA -1.199 54.877 56.100 -0.040 0.000 1.003 134 R CB 1.815 32.070 30.300 -0.074 0.000 1.192 134 R HN 0.168 nan 8.270 nan 0.000 0.488 135 V N 1.974 121.929 119.914 0.068 0.000 2.841 135 V HA 0.415 4.534 4.120 -0.001 0.000 0.310 135 V C -0.353 175.676 176.094 -0.108 0.000 1.090 135 V CA -0.826 61.554 62.300 0.133 0.000 0.930 135 V CB 2.379 34.377 31.823 0.292 0.000 1.014 135 V HN 0.555 nan 8.190 nan 0.000 0.425 136 I N 4.762 125.229 120.570 -0.171 0.000 2.297 136 I HA 0.297 4.467 4.170 -0.001 0.000 0.291 136 I C 0.067 176.082 176.117 -0.170 0.000 1.033 136 I CA -0.412 60.698 61.300 -0.317 0.000 1.253 136 I CB 1.609 39.349 38.000 -0.433 0.000 1.396 136 I HN 0.513 nan 8.210 nan 0.000 0.476 137 V N 3.581 123.374 119.914 -0.200 0.000 2.498 137 V HA 0.422 4.542 4.120 -0.001 0.000 0.279 137 V C 0.752 176.772 176.094 -0.124 0.000 1.048 137 V CA -0.504 61.694 62.300 -0.170 0.000 0.967 137 V CB 0.977 32.671 31.823 -0.215 0.000 0.988 137 V HN 0.742 nan 8.190 nan 0.000 0.473 138 S N 3.482 119.128 115.700 -0.090 0.000 2.611 138 S HA 0.263 4.733 4.470 -0.001 0.000 0.252 138 S C -0.051 174.502 174.600 -0.079 0.000 1.369 138 S CA -0.062 58.097 58.200 -0.068 0.000 0.975 138 S CB 0.254 63.424 63.200 -0.050 0.000 0.937 138 S HN 1.065 nan 8.310 nan 0.000 0.584 139 Q N -0.556 119.193 119.800 -0.084 0.000 2.522 139 Q HA 0.569 4.908 4.340 -0.001 0.000 0.285 139 Q C -2.044 173.885 176.000 -0.118 0.000 0.982 139 Q CA -0.807 54.934 55.803 -0.103 0.000 0.805 139 Q CB 1.020 29.679 28.738 -0.131 0.000 1.457 139 Q HN 0.621 nan 8.270 nan 0.000 0.394 140 I N -1.018 119.508 120.570 -0.073 0.000 2.846 140 I HA 0.749 4.918 4.170 -0.001 0.000 0.307 140 I C -0.730 175.449 176.117 0.103 0.000 1.053 140 I CA -0.301 61.017 61.300 0.030 0.000 1.050 140 I CB 1.943 39.998 38.000 0.091 0.000 1.239 140 I HN 0.832 nan 8.210 nan 0.000 0.439 141 H N -0.113 119.000 119.070 0.071 0.000 2.904 141 H HA 0.524 5.080 4.556 -0.001 0.000 0.290 141 H C -1.040 174.336 175.328 0.080 0.000 1.437 141 H CA -1.395 54.700 56.048 0.078 0.000 1.147 141 H CB 0.827 30.641 29.762 0.087 0.000 1.824 141 H HN 0.482 nan 8.280 nan 0.000 0.505 142 R N 2.033 122.608 120.500 0.125 0.000 2.446 142 R HA 0.045 4.385 4.340 -0.001 0.000 0.314 142 R C -0.141 176.067 176.300 -0.153 0.000 1.003 142 R CA 0.383 56.462 56.100 -0.034 0.000 1.018 142 R CB 0.511 30.788 30.300 -0.039 0.000 0.945 142 R HN 0.709 nan 8.270 nan 0.000 0.419 143 S N 4.303 119.984 115.700 -0.031 0.000 2.546 143 S HA 0.083 4.553 4.470 -0.001 0.000 0.290 143 S C -2.267 172.359 174.600 0.044 0.000 1.262 143 S CA -1.228 56.944 58.200 -0.048 0.000 1.083 143 S CB 0.501 63.874 63.200 0.289 0.000 0.859 143 S HN 0.296 nan 8.310 nan 0.000 0.495 144 P HA 0.154 nan 4.420 nan 0.000 0.250 144 P C 0.619 177.962 177.300 0.072 0.000 1.161 144 P CA 0.843 63.937 63.100 -0.010 0.000 0.863 144 P CB -0.233 31.455 31.700 -0.021 0.000 0.827 145 G N 1.496 110.286 108.800 -0.017 0.000 2.976 145 G HA2 0.591 4.550 3.960 -0.001 0.000 0.276 145 G HA3 0.591 4.550 3.960 -0.001 0.000 0.276 145 G C -1.552 173.011 174.900 -0.561 0.000 1.207 145 G CA -0.406 44.519 45.100 -0.291 0.000 0.803 145 G HN 0.201 nan 8.290 nan 0.000 0.572 146 V N 0.395 119.676 119.914 -1.055 0.000 2.623 146 V HA 0.662 4.782 4.120 -0.001 0.000 0.304 146 V C -1.635 173.686 176.094 -1.288 0.000 1.054 146 V CA -0.607 61.172 62.300 -0.868 0.000 0.882 146 V CB 1.182 32.700 31.823 -0.508 0.000 1.002 146 V HN 0.646 nan 8.190 nan 0.000 0.424 147 Y N 2.977 123.041 120.300 -0.392 0.000 2.562 147 Y HA 0.694 5.244 4.550 -0.001 0.000 0.345 147 Y C -0.664 175.083 175.900 -0.256 0.000 1.045 147 Y CA -1.435 56.366 58.100 -0.499 0.000 1.028 147 Y CB 1.759 40.071 38.460 -0.247 0.000 1.297 147 Y HN 0.507 nan 8.280 nan 0.000 0.463 148 F N 1.065 121.079 119.950 0.108 0.000 2.361 148 F HA 0.550 5.076 4.527 -0.000 0.000 0.364 148 F C 0.352 176.191 175.800 0.065 0.000 1.117 148 F CA -0.828 57.216 58.000 0.072 0.000 1.071 148 F CB 1.778 40.794 39.000 0.027 0.000 1.188 148 F HN 0.375 nan 8.300 nan 0.000 0.464 149 T N 3.919 118.643 114.554 0.282 0.000 2.912 149 T HA 0.452 4.802 4.350 -0.001 0.000 0.288 149 T C -2.696 172.168 174.700 0.273 0.000 1.030 149 T CA -2.483 59.743 62.100 0.210 0.000 1.020 149 T CB 1.549 70.511 68.868 0.157 0.000 1.056 149 T HN 0.158 nan 8.240 nan 0.000 0.480 150 P HA 0.058 nan 4.420 nan 0.000 0.265 150 P C -0.488 176.921 177.300 0.183 0.000 1.187 150 P CA -0.139 63.156 63.100 0.325 0.000 0.766 150 P CB 0.344 32.200 31.700 0.261 0.000 0.820 151 D N 4.256 124.726 120.400 0.118 0.000 2.488 151 D HA -0.018 4.621 4.640 -0.001 0.000 0.238 151 D C -1.327 175.002 176.300 0.048 0.000 1.138 151 D CA -1.131 52.906 54.000 0.062 0.000 0.873 151 D CB 0.467 41.266 40.800 -0.001 0.000 1.183 151 D HN 0.159 nan 8.370 nan 0.000 0.458 152 P HA -0.181 nan 4.420 nan 0.000 0.207 152 P C 0.675 177.990 177.300 0.025 0.000 0.926 152 P CA 1.903 65.027 63.100 0.039 0.000 0.982 152 P CB 0.018 31.739 31.700 0.035 0.000 0.686 153 A N -0.815 122.014 122.820 0.016 0.000 1.835 153 A HA -0.066 4.254 4.320 -0.001 0.000 0.213 153 A C 1.379 178.961 177.584 -0.003 0.000 1.210 153 A CA 0.364 52.406 52.037 0.008 0.000 0.605 153 A CB -1.148 17.855 19.000 0.006 0.000 0.860 153 A HN 0.138 nan 8.150 nan 0.000 0.447 154 R N 0.995 121.489 120.500 -0.010 0.000 2.526 154 R HA -0.017 4.322 4.340 -0.001 0.000 0.319 154 R C -2.070 174.205 176.300 -0.041 0.000 0.888 154 R CA -0.420 55.664 56.100 -0.026 0.000 1.127 154 R CB 0.180 30.462 30.300 -0.031 0.000 0.888 154 R HN 0.165 nan 8.270 nan 0.000 0.410 155 P HA -0.036 nan 4.420 nan 0.000 0.230 155 P C 0.848 178.084 177.300 -0.106 0.000 1.158 155 P CA 1.061 64.128 63.100 -0.056 0.000 0.769 155 P CB 0.214 31.892 31.700 -0.038 0.000 0.807 156 G N 0.590 109.324 108.800 -0.111 0.000 2.833 156 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.186 156 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.186 156 G C 0.498 175.226 174.900 -0.287 0.000 1.437 156 G CA 0.419 45.427 45.100 -0.153 0.000 0.813 156 G HN 0.295 nan 8.290 nan 0.000 0.663 157 R N -1.241 119.079 120.500 -0.301 0.000 2.832 157 R HA 0.517 4.856 4.340 -0.001 0.000 0.271 157 R C -0.875 175.205 176.300 -0.366 0.000 0.996 157 R CA -0.917 54.881 56.100 -0.504 0.000 0.977 157 R CB 1.016 31.163 30.300 -0.256 0.000 1.168 157 R HN 0.441 nan 8.270 nan 0.000 0.482 158 Y N 2.378 122.692 120.300 0.023 0.000 2.298 158 Y HA 0.387 4.937 4.550 -0.000 0.000 0.329 158 Y C 0.581 176.505 175.900 0.039 0.000 1.293 158 Y CA -1.151 56.978 58.100 0.048 0.000 1.388 158 Y CB 0.223 38.731 38.460 0.080 0.000 1.309 158 Y HN 0.445 nan 8.280 nan 0.000 0.544 159 I N -0.639 120.082 120.570 0.252 0.000 2.740 159 I HA 0.962 5.132 4.170 -0.001 0.000 0.303 159 I C -0.542 175.704 176.117 0.215 0.000 1.044 159 I CA -1.488 59.914 61.300 0.170 0.000 1.064 159 I CB 2.076 40.154 38.000 0.130 0.000 1.249 159 I HN 0.696 nan 8.210 nan 0.000 0.433 160 A N 3.193 126.120 122.820 0.178 0.000 2.279 160 A HA 0.746 5.066 4.320 -0.001 0.000 0.303 160 A C -0.168 177.565 177.584 0.248 0.000 1.108 160 A CA -0.462 51.764 52.037 0.316 0.000 0.830 160 A CB 1.125 20.244 19.000 0.199 0.000 1.106 160 A HN 0.830 nan 8.150 nan 0.000 0.493 161 S N 0.679 116.533 115.700 0.256 0.000 2.614 161 S HA 0.572 5.042 4.470 -0.001 0.000 0.275 161 S C -1.189 173.415 174.600 0.006 0.000 1.161 161 S CA -0.495 57.794 58.200 0.150 0.000 0.969 161 S CB 0.335 63.666 63.200 0.217 0.000 1.059 161 S HN 0.531 nan 8.310 nan 0.000 0.482 162 I N 5.554 126.062 120.570 -0.105 0.000 2.330 162 I HA 0.449 4.618 4.170 -0.001 0.000 0.286 162 I C -0.279 175.582 176.117 -0.426 0.000 1.025 162 I CA -0.649 60.513 61.300 -0.230 0.000 1.197 162 I CB 1.297 39.174 38.000 -0.206 0.000 1.358 162 I HN 0.660 nan 8.210 nan 0.000 0.467 163 I N 9.212 129.505 120.570 -0.462 0.000 2.307 163 I HA 0.543 4.713 4.170 -0.001 0.000 0.289 163 I C -2.711 173.090 176.117 -0.527 0.000 1.021 163 I CA -1.736 59.081 61.300 -0.805 0.000 1.224 163 I CB 1.296 38.910 38.000 -0.643 0.000 1.376 163 I HN 0.244 nan 8.210 nan 0.000 0.470 164 P HA 0.387 nan 4.420 nan 0.000 0.301 164 P C -1.409 175.773 177.300 -0.197 0.000 1.420 164 P CA -0.537 62.384 63.100 -0.298 0.000 1.006 164 P CB 1.673 33.245 31.700 -0.213 0.000 0.982 165 L N 6.339 127.474 121.223 -0.146 0.000 2.325 165 L HA 0.709 5.049 4.340 -0.001 0.000 0.278 165 L C -2.433 174.406 176.870 -0.052 0.000 1.023 165 L CA -2.611 52.220 54.840 -0.014 0.000 0.811 165 L CB 0.792 42.887 42.059 0.059 0.000 1.249 165 L HN 0.196 nan 8.230 nan 0.000 0.431 166 P HA -0.097 nan 4.420 nan 0.000 0.272 166 P C 0.113 177.465 177.300 0.085 0.000 1.210 166 P CA 0.336 63.455 63.100 0.033 0.000 0.789 166 P CB 0.433 32.133 31.700 0.000 0.000 0.849 167 K N 1.816 122.278 120.400 0.104 0.000 1.978 167 K HA -0.151 4.169 4.320 -0.001 0.000 0.214 167 K C 0.502 177.179 176.600 0.129 0.000 1.049 167 K CA 1.319 57.690 56.287 0.139 0.000 0.939 167 K CB -0.115 32.438 32.500 0.088 0.000 0.721 167 K HN 0.305 nan 8.250 nan 0.000 0.441 168 R N 0.401 120.949 120.500 0.079 0.000 2.480 168 R HA 0.065 4.404 4.340 -0.001 0.000 0.303 168 R C -0.462 175.889 176.300 0.084 0.000 0.985 168 R CA 0.832 56.978 56.100 0.077 0.000 1.051 168 R CB 0.333 30.660 30.300 0.045 0.000 0.935 168 R HN 0.612 nan 8.270 nan 0.000 0.410 169 G N 4.803 113.677 108.800 0.124 0.000 2.661 169 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.262 169 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.262 169 G C -2.741 172.261 174.900 0.170 0.000 1.310 169 G CA -1.267 43.909 45.100 0.127 0.000 1.160 169 G HN 0.344 nan 8.290 nan 0.000 0.598 170 P HA 0.012 nan 4.420 nan 0.000 0.274 170 P C -0.235 177.191 177.300 0.210 0.000 1.209 170 P CA 0.286 63.480 63.100 0.157 0.000 0.790 170 P CB 0.455 32.173 31.700 0.030 0.000 0.834 171 W N 2.893 124.187 121.300 -0.010 0.000 2.604 171 W HA 0.335 4.995 4.660 -0.001 0.000 0.302 171 W C -1.583 174.931 176.519 -0.008 0.000 1.013 171 W CA -0.412 56.933 57.345 -0.000 0.000 1.338 171 W CB 0.546 30.015 29.460 0.015 0.000 1.233 171 W HN 0.144 nan 8.180 nan 0.000 0.390 172 I N 4.080 124.702 120.570 0.087 0.000 2.677 172 I HA 0.307 4.476 4.170 -0.001 0.000 0.305 172 I C -0.407 175.773 176.117 0.104 0.000 0.988 172 I CA 0.182 61.518 61.300 0.060 0.000 1.260 172 I CB 1.193 39.152 38.000 -0.067 0.000 1.410 172 I HN 0.210 nan 8.210 nan 0.000 0.523 173 D N 4.457 124.914 120.400 0.094 0.000 2.966 173 D HA 0.549 5.189 4.640 -0.001 0.000 0.222 173 D C -1.171 175.167 176.300 0.064 0.000 1.292 173 D CA -0.404 53.661 54.000 0.107 0.000 0.907 173 D CB 1.212 42.095 40.800 0.138 0.000 1.621 173 D HN 0.217 nan 8.370 nan 0.000 0.557 174 L N 1.788 123.045 121.223 0.056 0.000 2.316 174 L HA 0.498 4.838 4.340 -0.001 0.000 0.280 174 L C -0.400 176.492 176.870 0.036 0.000 1.006 174 L CA -0.498 54.357 54.840 0.024 0.000 0.836 174 L CB 1.518 43.573 42.059 -0.006 0.000 1.221 174 L HN 0.493 nan 8.230 nan 0.000 0.418 175 E N 3.793 124.010 120.200 0.029 0.000 2.256 175 E HA 0.534 4.884 4.350 -0.001 0.000 0.268 175 E C -1.418 175.190 176.600 0.013 0.000 0.877 175 E CA -0.824 55.593 56.400 0.030 0.000 0.757 175 E CB 2.520 32.242 29.700 0.037 0.000 1.183 175 E HN 0.341 nan 8.360 nan 0.000 0.418 176 V N 1.728 121.647 119.914 0.009 0.000 2.370 176 V HA 0.539 4.659 4.120 -0.001 0.000 0.283 176 V C -0.166 175.919 176.094 -0.015 0.000 1.023 176 V CA -0.606 61.692 62.300 -0.003 0.000 0.857 176 V CB 1.446 33.265 31.823 -0.006 0.000 0.985 176 V HN 0.751 nan 8.190 nan 0.000 0.443 177 E N 5.273 125.465 120.200 -0.013 0.000 3.406 177 E HA 0.358 4.707 4.350 -0.001 0.000 0.210 177 E C -2.037 174.553 176.600 -0.017 0.000 1.167 177 E CA -1.797 54.593 56.400 -0.016 0.000 1.132 177 E CB 1.675 31.371 29.700 -0.008 0.000 1.309 177 E HN 0.635 nan 8.360 nan 0.000 0.424 178 P HA -0.206 nan 4.420 nan 0.000 0.221 178 P C 1.054 178.343 177.300 -0.019 0.000 1.142 178 P CA 0.804 63.887 63.100 -0.028 0.000 0.804 178 P CB 0.245 31.919 31.700 -0.044 0.000 0.756 179 N N -1.362 117.329 118.700 -0.014 0.000 2.520 179 N HA -0.064 4.676 4.740 -0.001 0.000 0.185 179 N C 1.368 176.877 175.510 -0.002 0.000 1.068 179 N CA 1.637 54.682 53.050 -0.009 0.000 0.911 179 N CB -0.068 38.415 38.487 -0.006 0.000 0.961 179 N HN 0.271 nan 8.380 nan 0.000 0.446 180 G N -1.562 107.238 108.800 0.000 0.000 4.589 180 G HA2 0.110 4.070 3.960 -0.001 0.000 0.218 180 G HA3 0.110 4.070 3.960 -0.001 0.000 0.218 180 G C -0.595 174.311 174.900 0.010 0.000 0.678 180 G CA -0.132 44.974 45.100 0.009 0.000 0.859 180 G HN 0.082 nan 8.290 nan 0.000 0.650 181 V N 0.177 120.093 119.914 0.003 0.000 3.159 181 V HA 0.836 4.956 4.120 -0.001 0.000 0.308 181 V C -0.434 175.655 176.094 -0.009 0.000 1.190 181 V CA -0.949 61.350 62.300 -0.001 0.000 1.037 181 V CB 2.104 33.929 31.823 0.002 0.000 1.060 181 V HN 0.211 nan 8.190 nan 0.000 0.437 182 V N 0.520 120.422 119.914 -0.020 0.000 2.914 182 V HA 0.841 4.961 4.120 -0.001 0.000 0.314 182 V C -0.293 175.775 176.094 -0.043 0.000 1.084 182 V CA -0.589 61.694 62.300 -0.028 0.000 0.963 182 V CB 1.962 33.764 31.823 -0.035 0.000 1.025 182 V HN 0.971 nan 8.190 nan 0.000 0.432 183 S N 4.015 119.696 115.700 -0.032 0.000 2.756 183 S HA 0.638 5.108 4.470 -0.001 0.000 0.303 183 S C -0.926 173.662 174.600 -0.019 0.000 1.135 183 S CA -0.541 57.646 58.200 -0.021 0.000 1.066 183 S CB 0.945 64.150 63.200 0.009 0.000 1.008 183 S HN 0.816 nan 8.310 nan 0.000 0.482 184 M N 5.084 124.659 119.600 -0.041 0.000 2.078 184 M HA 0.482 4.962 4.480 -0.001 0.000 0.320 184 M C -1.566 174.794 176.300 0.100 0.000 0.969 184 M CA -0.367 54.935 55.300 0.004 0.000 0.929 184 M CB 0.791 33.358 32.600 -0.055 0.000 1.504 184 M HN 0.617 nan 8.290 nan 0.000 0.419 185 K N 4.063 124.519 120.400 0.093 0.000 2.307 185 K HA 0.376 4.696 4.320 -0.001 0.000 0.263 185 K C 0.683 177.342 176.600 0.097 0.000 0.973 185 K CA -0.698 55.651 56.287 0.103 0.000 0.846 185 K CB 1.989 34.539 32.500 0.084 0.000 1.100 185 K HN 0.577 nan 8.250 nan 0.000 0.438 186 V N 0.234 120.192 119.914 0.074 0.000 2.365 186 V HA -0.052 4.067 4.120 -0.001 0.000 0.232 186 V C 1.459 177.583 176.094 0.050 0.000 1.065 186 V CA 0.825 63.139 62.300 0.023 0.000 1.054 186 V CB -0.417 31.349 31.823 -0.095 0.000 0.685 186 V HN 0.812 nan 8.190 nan 0.000 0.480 187 N N -0.826 117.889 118.700 0.025 0.000 2.409 187 N HA 0.067 4.807 4.740 -0.001 0.000 0.174 187 N C 1.314 176.842 175.510 0.030 0.000 1.037 187 N CA 1.266 54.338 53.050 0.037 0.000 0.898 187 N CB 0.977 39.481 38.487 0.028 0.000 1.010 187 N HN 0.619 nan 8.380 nan 0.000 0.445 188 K N -1.002 119.418 120.400 0.033 0.000 3.061 188 K HA 0.151 4.471 4.320 -0.001 0.000 0.274 188 K C -0.635 175.991 176.600 0.044 0.000 2.613 188 K CA -0.491 55.814 56.287 0.031 0.000 1.510 188 K CB 0.148 32.660 32.500 0.019 0.000 2.856 188 K HN -0.199 nan 8.250 nan 0.000 0.406 189 R N 2.964 123.489 120.500 0.042 0.000 2.449 189 R HA 0.106 4.446 4.340 -0.001 0.000 0.296 189 R C -1.059 175.295 176.300 0.091 0.000 1.047 189 R CA 0.360 56.492 56.100 0.053 0.000 1.018 189 R CB 0.277 30.602 30.300 0.042 0.000 0.962 189 R HN 0.042 nan 8.270 nan 0.000 0.428 190 K N 4.100 124.557 120.400 0.095 0.000 2.180 190 K HA 0.346 4.666 4.320 -0.001 0.000 0.251 190 K C -0.290 176.433 176.600 0.205 0.000 1.014 190 K CA 0.020 56.381 56.287 0.125 0.000 0.913 190 K CB 0.292 32.828 32.500 0.060 0.000 1.008 190 K HN 0.558 nan 8.250 nan 0.000 0.490 191 F N -2.148 117.798 119.950 -0.007 0.000 2.668 191 F HA 0.570 5.097 4.527 -0.000 0.000 0.309 191 F C -3.028 172.762 175.800 -0.017 0.000 1.117 191 F CA -2.895 55.089 58.000 -0.027 0.000 0.951 191 F CB 0.955 39.929 39.000 -0.043 0.000 1.323 191 F HN 0.311 nan 8.300 nan 0.000 0.451 192 P HA 0.049 nan 4.420 nan 0.000 0.267 192 P C 0.180 177.054 177.300 -0.710 0.000 1.195 192 P CA 0.040 62.935 63.100 -0.341 0.000 0.773 192 P CB 0.562 32.187 31.700 -0.126 0.000 0.837 193 L N 2.181 123.173 121.223 -0.385 0.000 2.477 193 L HA -0.037 4.302 4.340 -0.001 0.000 0.220 193 L C 1.888 178.646 176.870 -0.187 0.000 1.106 193 L CA 1.061 55.706 54.840 -0.326 0.000 0.851 193 L CB -0.548 41.421 42.059 -0.150 0.000 0.994 193 L HN 0.196 nan 8.230 nan 0.000 0.462 194 V N -1.715 118.130 119.914 -0.116 0.000 2.500 194 V HA -0.116 4.004 4.120 -0.001 0.000 0.243 194 V C 2.325 178.429 176.094 0.017 0.000 1.039 194 V CA 0.792 63.073 62.300 -0.032 0.000 1.053 194 V CB -0.811 31.018 31.823 0.010 0.000 0.695 194 V HN 0.364 nan 8.190 nan 0.000 0.463 195 L N 0.397 121.641 121.223 0.036 0.000 2.137 195 L HA -0.192 4.147 4.340 -0.001 0.000 0.213 195 L C 2.114 179.093 176.870 0.182 0.000 1.085 195 L CA 2.070 56.991 54.840 0.135 0.000 0.760 195 L CB -0.649 41.535 42.059 0.208 0.000 0.893 195 L HN 0.319 nan 8.230 nan 0.000 0.434 196 L N -1.654 119.678 121.223 0.181 0.000 2.127 196 L HA -0.014 4.326 4.340 -0.001 0.000 0.203 196 L C 2.329 179.182 176.870 -0.029 0.000 1.080 196 L CA 0.984 55.876 54.840 0.087 0.000 0.768 196 L CB -0.177 41.903 42.059 0.036 0.000 0.924 196 L HN 0.265 nan 8.230 nan 0.000 0.444 197 L N -0.562 120.650 121.223 -0.018 0.000 2.079 197 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 197 L C 2.758 179.739 176.870 0.186 0.000 1.081 197 L CA 1.015 55.915 54.840 0.101 0.000 0.752 197 L CB -0.630 41.452 42.059 0.039 0.000 0.896 197 L HN 0.229 nan 8.230 nan 0.000 0.433 198 R N -0.418 120.151 120.500 0.116 0.000 2.096 198 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 198 R C 2.231 178.576 176.300 0.074 0.000 1.127 198 R CA 1.119 57.279 56.100 0.100 0.000 0.968 198 R CB -0.643 29.714 30.300 0.095 0.000 0.861 198 R HN 0.263 nan 8.270 nan 0.000 0.440 199 V N 1.530 121.491 119.914 0.079 0.000 2.343 199 V HA -0.218 3.902 4.120 -0.001 0.000 0.247 199 V C 2.314 178.451 176.094 0.071 0.000 1.051 199 V CA 1.604 63.952 62.300 0.080 0.000 1.036 199 V CB -0.342 31.538 31.823 0.095 0.000 0.654 199 V HN 0.196 nan 8.190 nan 0.000 0.451 200 L N -0.208 121.070 121.223 0.092 0.000 2.240 200 L HA 0.240 4.580 4.340 -0.001 0.000 0.211 200 L C 1.808 178.636 176.870 -0.069 0.000 1.106 200 L CA 1.439 56.326 54.840 0.078 0.000 0.793 200 L CB -0.272 41.884 42.059 0.163 0.000 0.927 200 L HN 0.510 nan 8.230 nan 0.000 0.446 201 G N -2.836 105.919 108.800 -0.076 0.000 2.613 201 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.199 201 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.199 201 G C -0.287 174.489 174.900 -0.206 0.000 0.991 201 G CA -0.758 44.236 45.100 -0.176 0.000 0.756 201 G HN 0.065 nan 8.290 nan 0.000 0.515 202 Y N 2.936 123.234 120.300 -0.003 0.000 2.436 202 Y HA 0.462 5.011 4.550 -0.000 0.000 0.343 202 Y C 0.358 176.257 175.900 -0.002 0.000 1.008 202 Y CA -0.442 57.655 58.100 -0.005 0.000 1.241 202 Y CB 0.445 38.899 38.460 -0.010 0.000 1.153 202 Y HN 0.161 nan 8.280 nan 0.000 0.521 203 D N 1.771 122.243 120.400 0.121 0.000 2.253 203 D HA 0.116 4.756 4.640 -0.001 0.000 0.249 203 D C 0.781 177.130 176.300 0.081 0.000 1.049 203 D CA -0.601 53.447 54.000 0.080 0.000 0.929 203 D CB 0.915 41.740 40.800 0.042 0.000 1.176 203 D HN 0.381 nan 8.370 nan 0.000 0.437 204 Q N 1.578 121.415 119.800 0.062 0.000 2.062 204 Q HA -0.256 4.083 4.340 -0.001 0.000 0.209 204 Q C 1.688 177.711 176.000 0.039 0.000 0.996 204 Q CA 1.913 57.746 55.803 0.049 0.000 0.859 204 Q CB -0.573 28.192 28.738 0.046 0.000 0.920 204 Q HN 0.706 nan 8.270 nan 0.000 0.415 205 E N 0.596 120.817 120.200 0.034 0.000 2.005 205 E HA -0.165 4.185 4.350 -0.001 0.000 0.198 205 E C 2.067 178.683 176.600 0.027 0.000 1.010 205 E CA 1.830 58.245 56.400 0.025 0.000 0.825 205 E CB -1.154 28.559 29.700 0.021 0.000 0.769 205 E HN 0.284 nan 8.360 nan 0.000 0.456 206 T N 0.210 114.786 114.554 0.037 0.000 2.635 206 T HA -0.201 4.149 4.350 -0.001 0.000 0.267 206 T C 1.782 176.512 174.700 0.051 0.000 1.040 206 T CA 1.692 63.820 62.100 0.045 0.000 1.156 206 T CB -0.473 68.430 68.868 0.058 0.000 0.863 206 T HN 0.277 nan 8.240 nan 0.000 0.430 207 L N 0.398 121.664 121.223 0.072 0.000 1.978 207 L HA -0.150 4.189 4.340 -0.001 0.000 0.218 207 L C 2.855 179.702 176.870 -0.037 0.000 1.075 207 L CA 2.152 57.013 54.840 0.035 0.000 0.767 207 L CB -0.901 41.186 42.059 0.046 0.000 0.890 207 L HN 0.443 nan 8.230 nan 0.000 0.434 208 A N -0.216 122.595 122.820 -0.016 0.000 1.858 208 A HA -0.270 4.049 4.320 -0.001 0.000 0.216 208 A C 2.233 179.794 177.584 -0.039 0.000 1.190 208 A CA 2.005 54.031 52.037 -0.018 0.000 0.617 208 A CB -0.598 18.407 19.000 0.010 0.000 0.827 208 A HN 0.470 nan 8.150 nan 0.000 0.443 209 R N -0.664 119.822 120.500 -0.024 0.000 2.115 209 R HA -0.062 4.278 4.340 -0.001 0.000 0.230 209 R C 2.095 178.367 176.300 -0.045 0.000 1.111 209 R CA 1.676 57.760 56.100 -0.028 0.000 0.976 209 R CB -0.163 30.133 30.300 -0.006 0.000 0.870 209 R HN 0.715 nan 8.270 nan 0.000 0.445 210 E N -0.466 119.708 120.200 -0.043 0.000 2.102 210 E HA -0.072 4.277 4.350 -0.001 0.000 0.190 210 E C 1.614 178.152 176.600 -0.102 0.000 0.971 210 E CA 0.601 56.979 56.400 -0.037 0.000 0.821 210 E CB 0.098 29.802 29.700 0.006 0.000 0.777 210 E HN 0.156 nan 8.360 nan 0.000 0.460 211 L N -1.170 119.951 121.223 -0.169 0.000 2.313 211 L HA 0.187 4.526 4.340 -0.001 0.000 0.214 211 L C 1.493 178.028 176.870 -0.558 0.000 1.119 211 L CA 1.679 56.336 54.840 -0.303 0.000 0.809 211 L CB 0.310 42.153 42.059 -0.360 0.000 0.933 211 L HN 0.061 nan 8.230 nan 0.000 0.449 212 G N -1.692 106.889 108.800 -0.364 0.000 3.651 212 G HA2 0.349 4.309 3.960 -0.001 0.000 0.279 212 G HA3 0.349 4.309 3.960 -0.001 0.000 0.279 212 G C 1.220 175.956 174.900 -0.275 0.000 1.024 212 G CA 0.307 45.207 45.100 -0.333 0.000 0.813 212 G HN 0.468 nan 8.290 nan 0.000 0.518 213 A N 0.884 123.558 122.820 -0.243 0.000 1.933 213 A HA -0.030 4.290 4.320 -0.001 0.000 0.218 213 A C 2.089 179.662 177.584 -0.019 0.000 1.175 213 A CA 1.867 53.854 52.037 -0.084 0.000 0.628 213 A CB -0.530 18.459 19.000 -0.019 0.000 0.814 213 A HN 0.719 nan 8.150 nan 0.000 0.444 214 Y N -1.284 119.039 120.300 0.038 0.000 2.365 214 Y HA 0.447 4.997 4.550 -0.001 0.000 0.293 214 Y C 1.077 176.990 175.900 0.021 0.000 1.119 214 Y CA -0.339 57.775 58.100 0.023 0.000 1.203 214 Y CB -1.079 37.392 38.460 0.018 0.000 1.026 214 Y HN 0.199 nan 8.280 nan 0.000 0.549 215 G N -0.135 108.715 108.800 0.084 0.000 2.788 215 G HA2 0.387 4.347 3.960 -0.001 0.000 0.293 215 G HA3 0.387 4.347 3.960 -0.001 0.000 0.293 215 G C -0.360 174.513 174.900 -0.045 0.000 1.305 215 G CA -0.124 45.042 45.100 0.110 0.000 1.005 215 G HN 0.114 nan 8.290 nan 0.000 0.496 216 E N -0.446 119.692 120.200 -0.103 0.000 2.465 216 E HA 0.053 4.402 4.350 -0.001 0.000 0.209 216 E C 2.052 178.528 176.600 -0.207 0.000 0.951 216 E CA -0.012 56.318 56.400 -0.116 0.000 0.997 216 E CB 0.063 29.710 29.700 -0.088 0.000 1.025 216 E HN 0.452 nan 8.360 nan 0.000 0.500 217 L N 0.915 121.854 121.223 -0.474 0.000 2.349 217 L HA -0.102 4.238 4.340 -0.001 0.000 0.220 217 L C 2.384 179.063 176.870 -0.318 0.000 1.130 217 L CA 0.454 54.886 54.840 -0.681 0.000 0.791 217 L CB -0.562 40.573 42.059 -1.541 0.000 0.918 217 L HN -0.022 nan 8.230 nan 0.000 0.444 218 V N -0.033 119.888 119.914 0.012 0.000 2.794 218 V HA -0.305 3.815 4.120 -0.001 0.000 0.260 218 V C 2.318 178.477 176.094 0.108 0.000 1.103 218 V CA 1.601 64.070 62.300 0.281 0.000 1.125 218 V CB -0.389 31.551 31.823 0.196 0.000 0.702 218 V HN 0.559 nan 8.190 nan 0.000 0.494 219 Q N -0.473 119.341 119.800 0.023 0.000 2.369 219 Q HA -0.009 4.331 4.340 -0.001 0.000 0.206 219 Q C 2.215 178.228 176.000 0.022 0.000 0.963 219 Q CA 1.190 57.000 55.803 0.012 0.000 0.894 219 Q CB -0.276 28.452 28.738 -0.016 0.000 0.965 219 Q HN 0.667 nan 8.270 nan 0.000 0.475 220 G N 0.251 109.068 108.800 0.028 0.000 2.712 220 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.212 220 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.212 220 G C 1.313 176.248 174.900 0.057 0.000 1.142 220 G CA 0.392 45.512 45.100 0.033 0.000 0.789 220 G HN 0.347 nan 8.290 nan 0.000 0.535 221 L N -0.868 120.407 121.223 0.087 0.000 2.102 221 L HA 0.304 4.643 4.340 -0.001 0.000 0.202 221 L C 2.410 179.314 176.870 0.057 0.000 1.076 221 L CA 1.496 56.380 54.840 0.074 0.000 0.761 221 L CB -0.570 41.541 42.059 0.087 0.000 0.921 221 L HN 0.142 nan 8.230 nan 0.000 0.444 222 M N -0.407 119.226 119.600 0.055 0.000 2.595 222 M HA 0.053 4.532 4.480 -0.001 0.000 0.248 222 M C 1.426 177.757 176.300 0.052 0.000 1.119 222 M CA 0.834 56.163 55.300 0.049 0.000 1.079 222 M CB -0.913 31.710 32.600 0.039 0.000 1.472 222 M HN 0.391 nan 8.290 nan 0.000 0.501 223 D N 2.557 122.988 120.400 0.053 0.000 2.327 223 D HA -0.199 4.441 4.640 -0.001 0.000 0.205 223 D C 0.577 176.922 176.300 0.075 0.000 1.036 223 D CA 1.501 55.533 54.000 0.054 0.000 0.897 223 D CB 0.007 40.838 40.800 0.051 0.000 1.117 223 D HN 0.351 nan 8.370 nan 0.000 0.471 224 E N 0.524 120.791 120.200 0.112 0.000 2.053 224 E HA 0.049 4.399 4.350 -0.001 0.000 0.297 224 E C 0.881 177.583 176.600 0.171 0.000 1.173 224 E CA -0.087 56.421 56.400 0.181 0.000 1.219 224 E CB 0.245 30.134 29.700 0.314 0.000 1.103 224 E HN 0.223 nan 8.360 nan 0.000 0.476 225 S N 0.811 116.563 115.700 0.087 0.000 2.419 225 S HA -0.158 4.312 4.470 -0.001 0.000 0.233 225 S C 2.048 176.662 174.600 0.024 0.000 1.016 225 S CA 0.837 59.071 58.200 0.056 0.000 0.974 225 S CB -0.065 63.151 63.200 0.027 0.000 0.786 225 S HN 0.509 nan 8.310 nan 0.000 0.492 226 V N 1.196 121.080 119.914 -0.049 0.000 2.324 226 V HA -0.212 3.908 4.120 -0.001 0.000 0.250 226 V C 1.535 177.491 176.094 -0.230 0.000 1.060 226 V CA 1.930 64.102 62.300 -0.214 0.000 1.042 226 V CB -0.609 30.954 31.823 -0.433 0.000 0.650 226 V HN 0.551 nan 8.190 nan 0.000 0.450 227 F N 0.435 120.405 119.950 0.034 0.000 2.743 227 F HA 0.435 4.962 4.527 -0.001 0.000 0.297 227 F C 2.254 178.078 175.800 0.041 0.000 1.131 227 F CA 0.742 58.767 58.000 0.041 0.000 1.426 227 F CB -0.487 38.545 39.000 0.053 0.000 1.116 227 F HN 0.247 nan 8.300 nan 0.000 0.583 228 A N -0.612 122.329 122.820 0.202 0.000 2.218 228 A HA 0.069 4.388 4.320 -0.001 0.000 0.209 228 A C 1.949 179.582 177.584 0.083 0.000 1.168 228 A CA 0.562 52.678 52.037 0.133 0.000 0.804 228 A CB -0.320 18.746 19.000 0.110 0.000 0.834 228 A HN 0.193 nan 8.150 nan 0.000 0.482 229 M N 0.350 119.986 119.600 0.060 0.000 2.495 229 M HA 0.137 4.616 4.480 -0.001 0.000 0.237 229 M C -0.252 176.068 176.300 0.034 0.000 1.131 229 M CA 0.565 55.885 55.300 0.033 0.000 1.032 229 M CB -0.345 32.260 32.600 0.010 0.000 1.513 229 M HN 0.280 nan 8.290 nan 0.000 0.488 230 R N -0.490 120.044 120.500 0.057 0.000 2.521 230 R HA 0.345 4.685 4.340 -0.001 0.000 0.295 230 R C -2.519 173.821 176.300 0.067 0.000 1.183 230 R CA -1.412 54.721 56.100 0.055 0.000 0.957 230 R CB 0.782 31.118 30.300 0.059 0.000 1.171 230 R HN -0.058 nan 8.270 nan 0.000 0.494 231 P HA -0.199 nan 4.420 nan 0.000 0.204 231 P C 1.024 178.347 177.300 0.038 0.000 1.012 231 P CA 0.593 63.713 63.100 0.033 0.000 0.835 231 P CB 0.232 31.936 31.700 0.005 0.000 0.603 232 E N -0.568 119.642 120.200 0.017 0.000 2.284 232 E HA -0.271 4.079 4.350 -0.001 0.000 0.200 232 E C 1.955 178.590 176.600 0.058 0.000 1.008 232 E CA 0.898 57.311 56.400 0.021 0.000 0.829 232 E CB -0.201 29.497 29.700 -0.002 0.000 0.744 232 E HN 0.184 nan 8.360 nan 0.000 0.491 233 E N -0.395 119.842 120.200 0.063 0.000 2.208 233 E HA -0.102 4.247 4.350 -0.001 0.000 0.193 233 E C 1.743 178.408 176.600 0.108 0.000 0.988 233 E CA 0.777 57.226 56.400 0.082 0.000 0.828 233 E CB 0.042 29.788 29.700 0.076 0.000 0.763 233 E HN 0.330 nan 8.360 nan 0.000 0.478 234 A N 0.842 123.726 122.820 0.107 0.000 2.121 234 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 234 A C 2.162 179.800 177.584 0.089 0.000 1.154 234 A CA 0.486 52.590 52.037 0.111 0.000 0.679 234 A CB -0.349 18.718 19.000 0.111 0.000 0.795 234 A HN 0.270 nan 8.150 nan 0.000 0.458 235 L N -1.170 120.117 121.223 0.107 0.000 2.209 235 L HA -0.032 4.308 4.340 -0.001 0.000 0.207 235 L C 2.086 179.086 176.870 0.218 0.000 1.094 235 L CA 0.867 55.785 54.840 0.130 0.000 0.790 235 L CB -0.119 42.053 42.059 0.189 0.000 0.932 235 L HN 0.350 nan 8.230 nan 0.000 0.447 236 I N -0.607 120.094 120.570 0.218 0.000 2.406 236 I HA -0.192 3.978 4.170 -0.001 0.000 0.249 236 I C 2.557 178.791 176.117 0.195 0.000 1.122 236 I CA 0.866 62.314 61.300 0.246 0.000 1.431 236 I CB -0.273 37.806 38.000 0.132 0.000 1.087 236 I HN 0.074 nan 8.210 nan 0.000 0.424 237 R N 0.423 121.003 120.500 0.133 0.000 2.091 237 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 237 R C 2.266 178.583 176.300 0.028 0.000 1.136 237 R CA 1.545 57.702 56.100 0.095 0.000 0.959 237 R CB -0.391 29.975 30.300 0.110 0.000 0.856 237 R HN 0.262 nan 8.270 nan 0.000 0.437 238 L N -0.865 120.344 121.223 -0.024 0.000 2.056 238 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 238 L C 1.863 178.647 176.870 -0.144 0.000 1.078 238 L CA 0.977 55.706 54.840 -0.184 0.000 0.749 238 L CB -0.257 41.614 42.059 -0.314 0.000 0.901 238 L HN 0.184 nan 8.230 nan 0.000 0.433 239 F N 0.149 120.039 119.950 -0.099 0.000 2.120 239 F HA -0.297 4.230 4.527 -0.000 0.000 0.300 239 F C 2.568 178.335 175.800 -0.055 0.000 1.095 239 F CA 1.991 59.951 58.000 -0.067 0.000 1.249 239 F CB -0.854 38.127 39.000 -0.032 0.000 0.995 239 F HN 0.054 nan 8.300 nan 0.000 0.480 240 T N 0.460 115.115 114.554 0.168 0.000 2.777 240 T HA -0.193 4.157 4.350 -0.001 0.000 0.266 240 T C 2.262 176.985 174.700 0.038 0.000 1.040 240 T CA 1.169 63.321 62.100 0.087 0.000 1.141 240 T CB -0.589 68.323 68.868 0.073 0.000 0.868 240 T HN 0.254 nan 8.240 nan 0.000 0.444 241 L N 0.425 121.642 121.223 -0.010 0.000 2.042 241 L HA 0.026 4.366 4.340 -0.001 0.000 0.210 241 L C 0.743 177.588 176.870 -0.041 0.000 1.076 241 L CA 1.017 55.828 54.840 -0.048 0.000 0.749 241 L CB -0.348 41.636 42.059 -0.124 0.000 0.893 241 L HN 0.230 nan 8.230 nan 0.000 0.432 242 L N 0.329 121.522 121.223 -0.051 0.000 2.479 242 L HA 0.017 4.357 4.340 -0.001 0.000 0.270 242 L C 0.204 177.086 176.870 0.021 0.000 1.236 242 L CA 0.268 55.095 54.840 -0.021 0.000 0.823 242 L CB 0.129 42.186 42.059 -0.004 0.000 1.098 242 L HN 0.299 nan 8.230 nan 0.000 0.500 243 R N 0.800 121.316 120.500 0.026 0.000 2.510 243 R HA 0.573 4.912 4.340 -0.001 0.000 0.294 243 R C -2.655 173.665 176.300 0.033 0.000 1.056 243 R CA -1.031 55.087 56.100 0.031 0.000 0.918 243 R CB 1.090 31.403 30.300 0.023 0.000 1.187 243 R HN 0.426 nan 8.270 nan 0.000 0.437 244 P HA 0.268 nan 4.420 nan 0.000 0.534 244 P C -0.281 177.033 177.300 0.024 0.000 0.922 244 P CA 0.550 63.669 63.100 0.031 0.000 2.497 244 P CB 1.276 33.000 31.700 0.040 0.000 1.145 245 G N 0.970 109.785 108.800 0.025 0.000 2.842 245 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.242 245 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.242 245 G C -0.971 173.932 174.900 0.006 0.000 1.135 245 G CA -0.355 44.754 45.100 0.016 0.000 1.048 245 G HN 0.264 nan 8.290 nan 0.000 0.530 246 D N 0.195 120.597 120.400 0.003 0.000 2.384 246 D HA 0.580 5.220 4.640 -0.001 0.000 0.250 246 D C -1.918 174.344 176.300 -0.064 0.000 1.029 246 D CA -1.201 52.785 54.000 -0.024 0.000 0.990 246 D CB 1.264 42.056 40.800 -0.013 0.000 1.175 246 D HN 0.119 nan 8.370 nan 0.000 0.532 247 P HA 0.141 nan 4.420 nan 0.000 0.264 247 P C -1.990 175.194 177.300 -0.194 0.000 1.193 247 P CA -0.726 62.301 63.100 -0.121 0.000 0.763 247 P CB 0.167 31.795 31.700 -0.119 0.000 0.810 248 P HA -0.113 nan 4.420 nan 0.000 0.218 248 P C 0.194 177.358 177.300 -0.226 0.000 1.149 248 P CA 1.220 64.231 63.100 -0.148 0.000 0.817 248 P CB 0.262 31.925 31.700 -0.062 0.000 0.785 249 K N 0.751 121.038 120.400 -0.188 0.000 2.262 249 K HA 0.303 4.623 4.320 -0.001 0.000 0.282 249 K C -0.305 176.152 176.600 -0.238 0.000 1.066 249 K CA -0.380 55.803 56.287 -0.174 0.000 0.901 249 K CB 0.355 32.799 32.500 -0.093 0.000 1.089 249 K HN -0.182 nan 8.250 nan 0.000 0.476 250 R N 4.302 124.637 120.500 -0.274 0.000 3.124 250 R HA -0.002 4.338 4.340 -0.001 0.000 0.212 250 R C -0.285 175.969 176.300 -0.076 0.000 1.677 250 R CA -0.418 55.539 56.100 -0.238 0.000 1.186 250 R CB 0.366 30.387 30.300 -0.465 0.000 1.571 250 R HN 0.878 nan 8.270 nan 0.000 0.583 251 D N 2.047 122.434 120.400 -0.022 0.000 2.549 251 D HA -0.244 4.395 4.640 -0.001 0.000 0.199 251 D C 0.202 176.547 176.300 0.076 0.000 1.034 251 D CA 1.988 56.004 54.000 0.026 0.000 0.880 251 D CB 0.346 41.155 40.800 0.016 0.000 1.044 251 D HN 0.437 nan 8.370 nan 0.000 0.469 252 K N -1.207 119.172 120.400 -0.035 0.000 2.895 252 K HA 0.527 4.847 4.320 -0.001 0.000 0.200 252 K C 0.617 176.811 176.600 -0.676 0.000 1.133 252 K CA 0.025 56.205 56.287 -0.178 0.000 1.060 252 K CB 1.397 33.788 32.500 -0.183 0.000 0.735 252 K HN 0.026 nan 8.250 nan 0.000 0.451 253 A N 0.899 123.598 122.820 -0.201 0.000 1.823 253 A HA -0.048 4.272 4.320 -0.001 0.000 0.214 253 A C 1.989 179.604 177.584 0.051 0.000 1.225 253 A CA 1.343 53.365 52.037 -0.024 0.000 0.604 253 A CB -0.584 18.492 19.000 0.127 0.000 0.878 253 A HN 0.073 nan 8.150 nan 0.000 0.450 254 V N 0.165 120.196 119.914 0.195 0.000 2.667 254 V HA -0.106 4.013 4.120 -0.001 0.000 0.252 254 V C 2.867 178.846 176.094 -0.193 0.000 1.065 254 V CA 1.458 63.768 62.300 0.017 0.000 1.083 254 V CB -1.141 30.726 31.823 0.074 0.000 0.692 254 V HN 0.609 nan 8.190 nan 0.000 0.468 255 A N -1.047 121.585 122.820 -0.314 0.000 2.125 255 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 255 A C 1.992 179.293 177.584 -0.472 0.000 1.156 255 A CA 1.339 53.051 52.037 -0.543 0.000 0.671 255 A CB -0.584 17.827 19.000 -0.982 0.000 0.794 255 A HN 0.539 nan 8.150 nan 0.000 0.459 256 Y N -0.038 120.099 120.300 -0.272 0.000 2.163 256 Y HA -0.145 4.405 4.550 -0.001 0.000 0.288 256 Y C 2.637 178.384 175.900 -0.255 0.000 1.136 256 Y CA 1.000 58.994 58.100 -0.175 0.000 1.147 256 Y CB -0.965 37.475 38.460 -0.033 0.000 0.987 256 Y HN 0.120 nan 8.280 nan 0.000 0.509 257 V N -1.416 118.386 119.914 -0.186 0.000 2.332 257 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 257 V C 1.230 176.891 176.094 -0.722 0.000 1.055 257 V CA 1.828 63.821 62.300 -0.512 0.000 1.038 257 V CB -1.135 30.228 31.823 -0.767 0.000 0.651 257 V HN 0.413 nan 8.190 nan 0.000 0.450 258 Y N 0.406 120.679 120.300 -0.045 0.000 2.583 258 Y HA 0.500 5.050 4.550 -0.000 0.000 0.294 258 Y C 1.710 177.599 175.900 -0.019 0.000 1.170 258 Y CA 0.044 58.131 58.100 -0.023 0.000 1.265 258 Y CB 0.045 38.501 38.460 -0.006 0.000 1.119 258 Y HN 0.219 nan 8.280 nan 0.000 0.522 259 G N 0.308 109.088 108.800 -0.032 0.000 2.601 259 G HA2 0.117 4.077 3.960 -0.001 0.000 0.214 259 G HA3 0.117 4.077 3.960 -0.001 0.000 0.214 259 G C 0.903 175.777 174.900 -0.043 0.000 2.067 259 G CA 0.442 45.528 45.100 -0.024 0.000 0.774 259 G HN 0.228 nan 8.290 nan 0.000 0.729 260 L N -0.921 120.229 121.223 -0.122 0.000 2.547 260 L HA 0.437 4.776 4.340 -0.001 0.000 0.218 260 L C 2.103 178.859 176.870 -0.190 0.000 1.048 260 L CA 0.693 55.417 54.840 -0.194 0.000 0.859 260 L CB -0.573 41.234 42.059 -0.420 0.000 1.128 260 L HN 0.295 nan 8.230 nan 0.000 0.483 261 I N 0.736 121.189 120.570 -0.196 0.000 2.731 261 I HA 0.454 4.623 4.170 -0.001 0.000 0.235 261 I C 2.437 178.489 176.117 -0.108 0.000 1.064 261 I CA 1.170 62.377 61.300 -0.155 0.000 1.439 261 I CB -1.687 36.223 38.000 -0.149 0.000 1.255 261 I HN 0.139 nan 8.210 nan 0.000 0.446 262 A N 1.010 123.766 122.820 -0.107 0.000 1.903 262 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 262 A C 1.895 179.430 177.584 -0.081 0.000 1.387 262 A CA 1.402 53.388 52.037 -0.086 0.000 0.604 262 A CB -1.228 17.724 19.000 -0.080 0.000 1.043 262 A HN 0.416 nan 8.150 nan 0.000 0.481 263 D N 0.643 121.002 120.400 -0.069 0.000 2.160 263 D HA -0.070 4.570 4.640 -0.001 0.000 0.189 263 D C -1.042 175.233 176.300 -0.041 0.000 1.003 263 D CA 1.545 55.542 54.000 -0.005 0.000 0.846 263 D CB -2.029 38.841 40.800 0.116 0.000 0.949 263 D HN 0.309 nan 8.370 nan 0.000 0.446 264 P HA 0.102 nan 4.420 nan 0.000 0.300 264 P C -0.119 177.043 177.300 -0.229 0.000 1.294 264 P CA -0.049 62.993 63.100 -0.097 0.000 0.757 264 P CB 0.485 32.172 31.700 -0.022 0.000 1.377 265 R N 0.129 120.398 120.500 -0.386 0.000 2.750 265 R HA 0.336 4.675 4.340 -0.001 0.000 0.281 265 R C 0.470 176.658 176.300 -0.186 0.000 0.972 265 R CA -0.694 55.070 56.100 -0.561 0.000 0.912 265 R CB 1.062 30.521 30.300 -1.400 0.000 1.187 265 R HN 0.200 nan 8.270 nan 0.000 0.464 266 R N 3.109 123.559 120.500 -0.083 0.000 2.346 266 R HA 0.050 4.389 4.340 -0.001 0.000 0.225 266 R C -0.495 175.905 176.300 0.168 0.000 0.987 266 R CA -0.017 56.117 56.100 0.058 0.000 1.106 266 R CB -0.323 29.990 30.300 0.021 0.000 1.090 266 R HN 0.521 nan 8.270 nan 0.000 0.502 267 Y N -0.597 119.701 120.300 -0.002 0.000 2.526 267 Y HA 0.065 4.614 4.550 -0.001 0.000 0.330 267 Y C 0.271 176.174 175.900 0.005 0.000 1.156 267 Y CA -1.323 56.778 58.100 0.000 0.000 1.419 267 Y CB 0.270 38.727 38.460 -0.005 0.000 1.250 267 Y HN -0.093 nan 8.280 nan 0.000 0.540 268 D N 3.853 124.333 120.400 0.132 0.000 4.262 268 D HA -0.207 4.433 4.640 -0.001 0.000 0.186 268 D C -0.191 176.108 176.300 -0.001 0.000 1.090 268 D CA 0.799 54.827 54.000 0.047 0.000 0.711 268 D CB 0.459 41.267 40.800 0.014 0.000 1.194 268 D HN 0.702 nan 8.370 nan 0.000 0.627 269 L N 3.993 125.231 121.223 0.024 0.000 2.638 269 L HA 0.255 4.594 4.340 -0.001 0.000 0.273 269 L C 1.315 178.175 176.870 -0.017 0.000 1.147 269 L CA 0.900 55.744 54.840 0.006 0.000 0.941 269 L CB -0.308 41.768 42.059 0.028 0.000 1.251 269 L HN 0.709 nan 8.230 nan 0.000 0.479 270 G N 3.359 112.128 108.800 -0.052 0.000 3.532 270 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.196 270 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.196 270 G C 0.686 175.561 174.900 -0.041 0.000 2.074 270 G CA 0.099 45.179 45.100 -0.033 0.000 1.323 270 G HN 0.502 nan 8.290 nan 0.000 0.439 271 E N 0.966 121.141 120.200 -0.043 0.000 2.473 271 E HA 0.422 4.772 4.350 -0.001 0.000 0.204 271 E C 2.392 178.974 176.600 -0.031 0.000 0.994 271 E CA 0.602 56.999 56.400 -0.005 0.000 0.945 271 E CB 1.017 30.720 29.700 0.005 0.000 0.990 271 E HN 0.494 nan 8.360 nan 0.000 0.493 272 A N 1.425 124.140 122.820 -0.175 0.000 1.829 272 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 272 A C 2.252 179.602 177.584 -0.390 0.000 1.207 272 A CA 2.096 53.949 52.037 -0.307 0.000 0.622 272 A CB -1.003 17.674 19.000 -0.538 0.000 0.846 272 A HN 0.306 nan 8.150 nan 0.000 0.447 273 G N -2.350 105.956 108.800 -0.823 0.000 2.608 273 G HA2 0.005 3.965 3.960 -0.001 0.000 0.210 273 G HA3 0.005 3.965 3.960 -0.001 0.000 0.210 273 G C 1.528 176.284 174.900 -0.239 0.000 1.139 273 G CA 0.454 45.245 45.100 -0.514 0.000 0.812 273 G HN 0.341 nan 8.290 nan 0.000 0.529 274 R N 0.039 120.412 120.500 -0.211 0.000 2.341 274 R HA -0.094 4.245 4.340 -0.001 0.000 0.213 274 R C 1.833 178.101 176.300 -0.052 0.000 1.082 274 R CA 0.805 56.838 56.100 -0.111 0.000 1.017 274 R CB -0.365 29.890 30.300 -0.075 0.000 0.860 274 R HN 0.565 nan 8.270 nan 0.000 0.473 275 Y N 0.701 120.928 120.300 -0.123 0.000 2.206 275 Y HA -0.078 4.471 4.550 -0.000 0.000 0.292 275 Y C 1.437 177.267 175.900 -0.117 0.000 1.123 275 Y CA 1.390 59.440 58.100 -0.083 0.000 1.142 275 Y CB -0.148 38.301 38.460 -0.017 0.000 1.006 275 Y HN -0.151 nan 8.280 nan 0.000 0.518 276 K N 0.708 120.746 120.400 -0.603 0.000 2.362 276 K HA 0.022 4.341 4.320 -0.001 0.000 0.200 276 K C 1.993 178.283 176.600 -0.517 0.000 1.046 276 K CA 0.791 56.636 56.287 -0.737 0.000 0.952 276 K CB -0.142 32.042 32.500 -0.526 0.000 0.753 276 K HN 0.457 nan 8.250 nan 0.000 0.466 277 A N 1.227 123.839 122.820 -0.346 0.000 1.974 277 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 277 A C 1.960 179.400 177.584 -0.240 0.000 1.479 277 A CA 0.808 52.683 52.037 -0.270 0.000 0.615 277 A CB -0.754 18.143 19.000 -0.171 0.000 1.130 277 A HN 0.176 nan 8.150 nan 0.000 0.497 278 E N -0.223 119.882 120.200 -0.158 0.000 2.095 278 E HA -0.343 4.007 4.350 -0.001 0.000 0.212 278 E C 1.955 178.476 176.600 -0.132 0.000 1.044 278 E CA 2.501 58.836 56.400 -0.108 0.000 0.857 278 E CB -0.170 29.497 29.700 -0.055 0.000 0.764 278 E HN 0.698 nan 8.360 nan 0.000 0.462 279 E N 0.378 120.479 120.200 -0.165 0.000 2.028 279 E HA -0.178 4.172 4.350 -0.001 0.000 0.190 279 E C 1.772 178.235 176.600 -0.228 0.000 0.984 279 E CA 1.873 58.178 56.400 -0.159 0.000 0.800 279 E CB -0.109 29.501 29.700 -0.150 0.000 0.758 279 E HN 0.198 nan 8.360 nan 0.000 0.448 280 K N -0.136 120.051 120.400 -0.355 0.000 2.031 280 K HA 0.166 4.485 4.320 -0.001 0.000 0.205 280 K C 0.664 176.868 176.600 -0.660 0.000 1.049 280 K CA 1.216 57.229 56.287 -0.457 0.000 0.939 280 K CB -0.003 32.167 32.500 -0.550 0.000 0.717 280 K HN 0.296 nan 8.250 nan 0.000 0.438 281 L N -2.588 118.297 121.223 -0.564 0.000 2.556 281 L HA 0.526 4.866 4.340 -0.001 0.000 0.257 281 L C -0.940 175.778 176.870 -0.253 0.000 0.955 281 L CA -0.530 53.949 54.840 -0.602 0.000 0.850 281 L CB 1.953 43.619 42.059 -0.656 0.000 1.398 281 L HN 0.340 nan 8.230 nan 0.000 0.412 282 G N 2.093 110.831 108.800 -0.103 0.000 2.881 282 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.681 282 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.681 282 G C 0.015 174.892 174.900 -0.039 0.000 1.567 282 G CA 0.217 45.298 45.100 -0.030 0.000 1.013 282 G HN 0.940 nan 8.290 nan 0.000 0.580 283 I N 0.296 120.864 120.570 -0.003 0.000 2.899 283 I HA 0.269 4.439 4.170 -0.001 0.000 0.257 283 I C 1.576 177.692 176.117 -0.002 0.000 1.115 283 I CA 0.512 61.810 61.300 -0.003 0.000 1.451 283 I CB 0.063 38.074 38.000 0.017 0.000 1.251 283 I HN 0.529 nan 8.210 nan 0.000 0.456 284 R N 1.673 122.182 120.500 0.015 0.000 2.873 284 R HA 0.686 5.026 4.340 -0.001 0.000 0.264 284 R C -1.404 174.910 176.300 0.025 0.000 1.026 284 R CA -0.727 55.384 56.100 0.019 0.000 1.002 284 R CB 2.410 32.730 30.300 0.033 0.000 1.174 284 R HN 0.144 nan 8.270 nan 0.000 0.488 285 L N 1.602 122.839 121.223 0.023 0.000 2.415 285 L HA 0.445 4.785 4.340 -0.001 0.000 0.268 285 L C -1.343 175.552 176.870 0.040 0.000 0.984 285 L CA -0.337 54.521 54.840 0.030 0.000 0.853 285 L CB 1.970 44.033 42.059 0.008 0.000 1.215 285 L HN 0.540 nan 8.230 nan 0.000 0.419 286 S N 4.130 119.864 115.700 0.058 0.000 2.410 286 S HA 0.768 5.238 4.470 -0.001 0.000 0.304 286 S C 0.229 174.864 174.600 0.057 0.000 1.095 286 S CA 0.579 58.813 58.200 0.057 0.000 1.089 286 S CB 0.270 63.510 63.200 0.068 0.000 0.968 286 S HN 1.530 nan 8.310 nan 0.000 0.480 287 G N 5.013 113.840 108.800 0.045 0.000 3.019 287 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.686 287 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.686 287 G C 0.292 175.218 174.900 0.043 0.000 1.056 287 G CA -0.135 44.986 45.100 0.035 0.000 0.774 287 G HN 0.841 nan 8.290 nan 0.000 0.583 288 R N 0.166 120.695 120.500 0.048 0.000 2.496 288 R HA -0.263 4.077 4.340 -0.001 0.000 0.197 288 R C 2.146 178.520 176.300 0.123 0.000 0.997 288 R CA 2.849 59.004 56.100 0.092 0.000 0.715 288 R CB -1.142 29.237 30.300 0.132 0.000 0.845 288 R HN 1.050 nan 8.270 nan 0.000 0.387 289 T N -0.042 114.598 114.554 0.143 0.000 2.862 289 T HA 0.413 4.763 4.350 -0.001 0.000 0.276 289 T C 0.483 175.234 174.700 0.084 0.000 0.974 289 T CA -0.727 61.452 62.100 0.130 0.000 0.966 289 T CB 0.533 69.469 68.868 0.113 0.000 1.072 289 T HN 0.402 nan 8.240 nan 0.000 0.538 290 L N -0.100 121.179 121.223 0.094 0.000 2.937 290 L HA 0.420 4.760 4.340 -0.001 0.000 0.294 290 L C 0.052 176.981 176.870 0.099 0.000 1.059 290 L CA -0.431 54.482 54.840 0.123 0.000 1.117 290 L CB -1.737 40.436 42.059 0.190 0.000 1.526 290 L HN 0.767 nan 8.230 nan 0.000 0.437 291 A N 5.086 127.951 122.820 0.074 0.000 2.393 291 A HA 0.926 5.246 4.320 -0.001 0.000 0.306 291 A C -0.254 177.362 177.584 0.054 0.000 1.050 291 A CA -0.814 51.235 52.037 0.020 0.000 0.724 291 A CB 1.692 20.666 19.000 -0.043 0.000 1.248 291 A HN 0.844 nan 8.150 nan 0.000 0.424 292 R N 1.721 122.267 120.500 0.077 0.000 2.979 292 R HA 0.375 4.715 4.340 -0.001 0.000 0.245 292 R C -2.011 174.533 176.300 0.406 0.000 1.104 292 R CA -0.396 55.828 56.100 0.207 0.000 1.056 292 R CB 0.644 31.094 30.300 0.250 0.000 1.265 292 R HN 1.321 nan 8.270 nan 0.000 0.470 293 F N 3.568 123.648 119.950 0.217 0.000 2.608 293 F HA 0.365 4.892 4.527 -0.000 0.000 0.383 293 F C 0.219 176.136 175.800 0.195 0.000 1.371 293 F CA -0.966 57.208 58.000 0.291 0.000 1.123 293 F CB -0.378 38.752 39.000 0.216 0.000 1.207 293 F HN 0.728 nan 8.300 nan 0.000 0.512 294 E N 0.870 121.291 120.200 0.369 0.000 2.166 294 E HA -0.051 4.299 4.350 -0.001 0.000 0.192 294 E C 0.108 176.766 176.600 0.096 0.000 0.967 294 E CA 1.127 57.623 56.400 0.161 0.000 0.840 294 E CB 0.288 30.085 29.700 0.160 0.000 0.795 294 E HN 0.329 nan 8.360 nan 0.000 0.470 295 D N -1.748 118.715 120.400 0.106 0.000 2.500 295 D HA 0.210 4.849 4.640 -0.001 0.000 0.218 295 D C 0.804 177.117 176.300 0.021 0.000 1.140 295 D CA 0.885 54.910 54.000 0.042 0.000 0.830 295 D CB 1.320 42.126 40.800 0.010 0.000 1.055 295 D HN 0.357 nan 8.370 nan 0.000 0.512 296 G N 1.092 109.933 108.800 0.068 0.000 2.258 296 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.233 296 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.233 296 G C 0.261 174.954 174.900 -0.346 0.000 1.006 296 G CA 0.214 45.314 45.100 -0.000 0.000 0.620 296 G HN 0.326 nan 8.290 nan 0.000 0.511 297 E N 1.623 121.630 120.200 -0.323 0.000 2.200 297 E HA 0.543 4.893 4.350 -0.001 0.000 0.283 297 E C -0.387 175.991 176.600 -0.370 0.000 1.015 297 E CA -0.782 55.303 56.400 -0.525 0.000 0.819 297 E CB 0.285 29.832 29.700 -0.255 0.000 1.081 297 E HN 0.313 nan 8.360 nan 0.000 0.397 298 F N 2.945 122.919 119.950 0.041 0.000 2.378 298 F HA 0.374 4.901 4.527 -0.001 0.000 0.325 298 F C 0.809 176.638 175.800 0.048 0.000 1.097 298 F CA -1.012 57.025 58.000 0.063 0.000 1.079 298 F CB 0.923 39.959 39.000 0.059 0.000 1.240 298 F HN 0.300 nan 8.300 nan 0.000 0.519 299 K N 0.935 121.498 120.400 0.271 0.000 2.376 299 K HA 0.376 4.696 4.320 -0.001 0.000 0.257 299 K C -1.836 174.897 176.600 0.221 0.000 0.939 299 K CA -0.810 55.586 56.287 0.183 0.000 0.809 299 K CB 1.990 34.570 32.500 0.133 0.000 1.121 299 K HN 0.722 nan 8.250 nan 0.000 0.425 300 D N 3.261 123.812 120.400 0.252 0.000 2.378 300 D HA 0.082 4.722 4.640 -0.001 0.000 0.265 300 D C -0.454 176.019 176.300 0.288 0.000 1.229 300 D CA -0.491 53.687 54.000 0.296 0.000 0.914 300 D CB 1.175 42.193 40.800 0.363 0.000 1.140 300 D HN 0.664 nan 8.370 nan 0.000 0.516 301 E N 0.791 121.114 120.200 0.205 0.000 2.403 301 E HA 0.018 4.367 4.350 -0.001 0.000 0.187 301 E C 1.131 177.801 176.600 0.116 0.000 1.073 301 E CA -0.055 56.443 56.400 0.164 0.000 0.888 301 E CB 1.182 30.953 29.700 0.118 0.000 1.035 301 E HN 0.354 nan 8.360 nan 0.000 0.471 302 V N -1.049 118.948 119.914 0.138 0.000 3.013 302 V HA 0.011 4.131 4.120 -0.001 0.000 0.238 302 V C 1.415 177.536 176.094 0.045 0.000 1.161 302 V CA 0.397 62.734 62.300 0.061 0.000 1.170 302 V CB -0.068 31.773 31.823 0.031 0.000 0.917 302 V HN 0.176 nan 8.190 nan 0.000 0.478 303 F N 1.268 121.226 119.950 0.013 0.000 2.134 303 F HA -0.124 4.403 4.527 -0.001 0.000 0.299 303 F C 2.137 177.879 175.800 -0.097 0.000 1.097 303 F CA 2.732 60.722 58.000 -0.017 0.000 1.264 303 F CB 0.015 39.028 39.000 0.021 0.000 1.001 303 F HN 0.316 nan 8.300 nan 0.000 0.479 304 L N -1.910 119.339 121.223 0.044 0.000 2.131 304 L HA 0.100 4.440 4.340 -0.001 0.000 0.206 304 L C -1.020 175.785 176.870 -0.109 0.000 1.087 304 L CA 0.603 55.343 54.840 -0.167 0.000 0.767 304 L CB -2.456 39.331 42.059 -0.453 0.000 0.917 304 L HN -0.104 nan 8.230 nan 0.000 0.441 305 P HA -0.101 nan 4.420 nan 0.000 0.218 305 P C 1.601 178.926 177.300 0.042 0.000 1.149 305 P CA 2.113 65.220 63.100 0.013 0.000 0.817 305 P CB -0.210 31.501 31.700 0.019 0.000 0.785 306 T N -1.492 113.066 114.554 0.007 0.000 2.684 306 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 306 T C 1.699 176.380 174.700 -0.032 0.000 1.036 306 T CA 0.991 63.111 62.100 0.033 0.000 1.148 306 T CB -1.192 67.659 68.868 -0.029 0.000 0.863 306 T HN -0.056 nan 8.240 nan 0.000 0.436 307 L N 0.687 121.865 121.223 -0.076 0.000 2.156 307 L HA 0.304 4.644 4.340 -0.001 0.000 0.208 307 L C 2.717 179.492 176.870 -0.159 0.000 1.095 307 L CA 1.238 56.005 54.840 -0.122 0.000 0.770 307 L CB -0.800 41.145 42.059 -0.190 0.000 0.914 307 L HN 0.068 nan 8.230 nan 0.000 0.439 308 R N -2.188 118.232 120.500 -0.133 0.000 2.120 308 R HA -0.204 4.136 4.340 -0.001 0.000 0.234 308 R C 1.929 178.299 176.300 0.117 0.000 1.123 308 R CA 1.444 57.522 56.100 -0.037 0.000 0.975 308 R CB -0.404 29.911 30.300 0.024 0.000 0.866 308 R HN 0.349 nan 8.270 nan 0.000 0.446 309 Y N -0.937 119.335 120.300 -0.045 0.000 2.519 309 Y HA -0.000 4.549 4.550 -0.000 0.000 0.287 309 Y C 1.506 177.286 175.900 -0.199 0.000 1.128 309 Y CA 0.445 58.501 58.100 -0.073 0.000 1.282 309 Y CB 0.213 38.691 38.460 0.028 0.000 1.027 309 Y HN 0.062 nan 8.280 nan 0.000 0.551 310 L N -1.108 120.062 121.223 -0.088 0.000 2.068 310 L HA -0.095 4.245 4.340 -0.001 0.000 0.204 310 L C 1.949 178.903 176.870 0.140 0.000 1.076 310 L CA 1.733 56.526 54.840 -0.078 0.000 0.753 310 L CB -1.145 40.904 42.059 -0.017 0.000 0.910 310 L HN 0.193 nan 8.230 nan 0.000 0.439 311 F N -0.410 119.524 119.950 -0.027 0.000 2.161 311 F HA -0.275 4.252 4.527 -0.000 0.000 0.300 311 F C 2.411 178.236 175.800 0.042 0.000 1.089 311 F CA 0.795 58.843 58.000 0.080 0.000 1.282 311 F CB -0.323 38.811 39.000 0.223 0.000 1.010 311 F HN 0.253 nan 8.300 nan 0.000 0.485 312 A N -0.023 122.841 122.820 0.074 0.000 1.872 312 A HA -0.154 4.166 4.320 -0.001 0.000 0.214 312 A C 1.942 179.348 177.584 -0.296 0.000 1.187 312 A CA 1.307 53.157 52.037 -0.312 0.000 0.614 312 A CB -0.938 17.712 19.000 -0.584 0.000 0.826 312 A HN 0.373 nan 8.150 nan 0.000 0.442 313 L N 0.664 121.730 121.223 -0.262 0.000 2.131 313 L HA -0.091 4.249 4.340 -0.001 0.000 0.210 313 L C 2.269 179.136 176.870 -0.005 0.000 1.092 313 L CA 2.937 57.676 54.840 -0.167 0.000 0.759 313 L CB -0.937 41.032 42.059 -0.151 0.000 0.903 313 L HN 0.475 nan 8.230 nan 0.000 0.435 314 T N -4.209 110.359 114.554 0.024 0.000 3.081 314 T HA 0.309 4.659 4.350 -0.001 0.000 0.255 314 T C 1.539 176.246 174.700 0.013 0.000 1.113 314 T CA 0.483 62.624 62.100 0.069 0.000 1.082 314 T CB -0.140 68.743 68.868 0.026 0.000 0.939 314 T HN 0.351 nan 8.240 nan 0.000 0.506 315 A N 0.679 123.485 122.820 -0.023 0.000 1.984 315 A HA 0.806 5.125 4.320 -0.001 0.000 0.203 315 A C 1.412 178.968 177.584 -0.047 0.000 1.292 315 A CA 0.627 52.648 52.037 -0.027 0.000 0.782 315 A CB -0.076 18.925 19.000 0.001 0.000 0.924 315 A HN 0.741 nan 8.150 nan 0.000 0.475 316 G N -1.590 107.152 108.800 -0.097 0.000 2.635 316 G HA2 0.411 4.371 3.960 -0.001 0.000 0.194 316 G HA3 0.411 4.371 3.960 -0.001 0.000 0.194 316 G C -1.378 173.411 174.900 -0.185 0.000 1.198 316 G CA 0.402 45.438 45.100 -0.107 0.000 0.972 316 G HN 0.367 nan 8.290 nan 0.000 0.520 317 V N 2.566 122.342 119.914 -0.231 0.000 2.180 317 V HA 0.281 4.401 4.120 -0.001 0.000 0.265 317 V C -1.493 174.420 176.094 -0.302 0.000 1.214 317 V CA -0.685 61.396 62.300 -0.364 0.000 1.130 317 V CB 0.642 32.219 31.823 -0.409 0.000 1.266 317 V HN 0.449 nan 8.190 nan 0.000 0.473 318 P HA 0.099 nan 4.420 nan 0.000 0.220 318 P C 0.871 178.057 177.300 -0.191 0.000 1.148 318 P CA 1.135 64.070 63.100 -0.274 0.000 0.803 318 P CB 0.345 31.815 31.700 -0.383 0.000 0.782 319 G N -2.814 105.853 108.800 -0.222 0.000 2.441 319 G HA2 0.185 4.145 3.960 -0.001 0.000 0.294 319 G HA3 0.185 4.145 3.960 -0.001 0.000 0.294 319 G C -1.845 172.924 174.900 -0.217 0.000 1.393 319 G CA -0.543 44.464 45.100 -0.154 0.000 0.796 319 G HN -0.139 nan 8.290 nan 0.000 0.494 320 H N 1.942 121.002 119.070 -0.018 0.000 2.741 320 H HA 0.225 4.780 4.556 -0.001 0.000 0.282 320 H C -0.166 175.164 175.328 0.004 0.000 1.122 320 H CA -0.143 55.891 56.048 -0.023 0.000 1.293 320 H CB 1.161 30.912 29.762 -0.018 0.000 1.415 320 H HN 0.479 nan 8.280 nan 0.000 0.472 321 E N 3.219 123.482 120.200 0.105 0.000 1.856 321 E HA 0.194 4.544 4.350 -0.001 0.000 0.263 321 E C -0.028 176.612 176.600 0.067 0.000 1.137 321 E CA -0.694 55.818 56.400 0.188 0.000 1.007 321 E CB 0.273 30.199 29.700 0.376 0.000 1.117 321 E HN 0.245 nan 8.360 nan 0.000 0.438 322 V N -1.077 118.854 119.914 0.029 0.000 2.488 322 V HA 0.390 4.510 4.120 -0.001 0.000 0.293 322 V C -0.720 175.371 176.094 -0.005 0.000 1.027 322 V CA -0.991 61.286 62.300 -0.039 0.000 0.862 322 V CB 2.032 33.809 31.823 -0.077 0.000 1.008 322 V HN 0.172 nan 8.190 nan 0.000 0.428 323 D N 3.534 123.936 120.400 0.003 0.000 2.347 323 D HA 0.228 4.868 4.640 -0.001 0.000 0.235 323 D C -0.526 175.771 176.300 -0.005 0.000 1.149 323 D CA 0.276 54.270 54.000 -0.010 0.000 0.850 323 D CB 1.884 42.684 40.800 0.000 0.000 1.061 323 D HN 0.915 nan 8.370 nan 0.000 0.487 324 D N 3.506 123.905 120.400 -0.002 0.000 2.348 324 D HA 0.037 4.676 4.640 -0.001 0.000 0.259 324 D C 1.739 178.010 176.300 -0.049 0.000 1.296 324 D CA -0.230 53.771 54.000 0.002 0.000 0.931 324 D CB 0.308 41.154 40.800 0.077 0.000 1.067 324 D HN 0.354 nan 8.370 nan 0.000 0.503 325 I N 2.570 123.082 120.570 -0.097 0.000 2.091 325 I HA -0.349 3.821 4.170 -0.001 0.000 0.240 325 I C 1.512 177.512 176.117 -0.195 0.000 1.046 325 I CA 1.226 62.419 61.300 -0.179 0.000 1.306 325 I CB -0.192 37.721 38.000 -0.146 0.000 1.018 325 I HN 0.494 nan 8.210 nan 0.000 0.404 326 D N -0.402 119.853 120.400 -0.242 0.000 2.411 326 D HA -0.136 4.504 4.640 -0.001 0.000 0.226 326 D C 0.911 176.825 176.300 -0.644 0.000 0.988 326 D CA 0.639 54.403 54.000 -0.395 0.000 0.938 326 D CB -0.522 39.991 40.800 -0.477 0.000 0.883 326 D HN 0.360 nan 8.370 nan 0.000 0.525 327 H N 0.849 119.642 119.070 -0.461 0.000 2.964 327 H HA -0.059 4.497 4.556 -0.001 0.000 0.328 327 H C 1.181 176.502 175.328 -0.012 0.000 1.030 327 H CA -0.247 55.697 56.048 -0.174 0.000 1.445 327 H CB 1.060 30.824 29.762 0.005 0.000 1.449 327 H HN -0.072 nan 8.280 nan 0.000 0.581 328 L N 4.576 125.886 121.223 0.145 0.000 2.450 328 L HA -0.074 4.266 4.340 -0.001 0.000 0.224 328 L C 2.538 179.538 176.870 0.217 0.000 1.149 328 L CA 1.533 56.499 54.840 0.211 0.000 0.816 328 L CB -0.639 41.565 42.059 0.242 0.000 0.932 328 L HN 0.814 nan 8.230 nan 0.000 0.449 329 G N -1.152 107.808 108.800 0.267 0.000 2.708 329 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.210 329 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.210 329 G C 1.062 176.074 174.900 0.186 0.000 1.141 329 G CA 0.293 45.475 45.100 0.136 0.000 0.788 329 G HN 0.401 nan 8.290 nan 0.000 0.531 330 N N -0.114 118.709 118.700 0.205 0.000 2.241 330 N HA 0.184 4.924 4.740 -0.001 0.000 0.238 330 N C -0.150 175.447 175.510 0.144 0.000 1.244 330 N CA -0.102 53.058 53.050 0.184 0.000 0.880 330 N CB 1.053 39.507 38.487 -0.054 0.000 1.179 330 N HN 0.219 nan 8.380 nan 0.000 0.513 331 R N 0.543 121.207 120.500 0.274 0.000 2.515 331 R HA 0.358 4.698 4.340 -0.001 0.000 0.291 331 R C -0.568 175.972 176.300 0.401 0.000 1.046 331 R CA -0.626 55.636 56.100 0.269 0.000 0.914 331 R CB 2.610 33.027 30.300 0.195 0.000 1.191 331 R HN -0.004 nan 8.270 nan 0.000 0.435 332 R N 3.207 123.907 120.500 0.333 0.000 2.668 332 R HA 0.460 4.799 4.340 -0.001 0.000 0.279 332 R C -0.956 175.472 176.300 0.212 0.000 0.976 332 R CA -0.688 55.517 56.100 0.174 0.000 0.978 332 R CB 1.019 31.273 30.300 -0.078 0.000 1.133 332 R HN 0.385 nan 8.270 nan 0.000 0.484 333 I N 3.525 124.133 120.570 0.064 0.000 2.330 333 I HA 0.344 4.513 4.170 -0.001 0.000 0.289 333 I C 0.025 176.131 176.117 -0.017 0.000 1.001 333 I CA -0.475 60.838 61.300 0.022 0.000 1.193 333 I CB 1.563 39.573 38.000 0.016 0.000 1.345 333 I HN 0.455 nan 8.210 nan 0.000 0.461 334 R N 4.599 125.067 120.500 -0.052 0.000 2.242 334 R HA 0.401 4.741 4.340 -0.001 0.000 0.334 334 R C 0.078 176.366 176.300 -0.020 0.000 1.071 334 R CA -0.470 55.606 56.100 -0.041 0.000 0.922 334 R CB -0.024 30.221 30.300 -0.091 0.000 1.023 334 R HN 0.629 nan 8.270 nan 0.000 0.458 335 T N -0.530 114.025 114.554 0.003 0.000 2.766 335 T HA 0.024 4.374 4.350 -0.001 0.000 0.295 335 T C 1.839 176.575 174.700 0.060 0.000 1.024 335 T CA -0.967 61.148 62.100 0.024 0.000 1.018 335 T CB 0.929 69.816 68.868 0.031 0.000 1.002 335 T HN 0.196 nan 8.240 nan 0.000 0.532 336 V N 2.081 122.046 119.914 0.086 0.000 2.233 336 V HA -0.242 3.877 4.120 -0.001 0.000 0.252 336 V C 2.905 179.131 176.094 0.221 0.000 1.063 336 V CA 2.638 65.017 62.300 0.132 0.000 1.032 336 V CB -1.816 30.111 31.823 0.174 0.000 0.645 336 V HN 1.182 nan 8.190 nan 0.000 0.446 337 G N -0.792 108.180 108.800 0.285 0.000 2.732 337 G HA2 -0.436 3.524 3.960 -0.001 0.000 0.222 337 G HA3 -0.436 3.524 3.960 -0.001 0.000 0.222 337 G C 1.515 176.529 174.900 0.190 0.000 1.203 337 G CA 1.405 46.682 45.100 0.295 0.000 0.780 337 G HN 0.620 nan 8.290 nan 0.000 0.621 338 E N 0.027 120.296 120.200 0.115 0.000 2.130 338 E HA -0.133 4.217 4.350 -0.001 0.000 0.196 338 E C 2.622 179.259 176.600 0.061 0.000 0.998 338 E CA 0.983 57.427 56.400 0.073 0.000 0.806 338 E CB -0.221 29.509 29.700 0.050 0.000 0.738 338 E HN 0.509 nan 8.360 nan 0.000 0.459 339 L N 0.368 121.643 121.223 0.086 0.000 2.141 339 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 339 L C 2.720 179.584 176.870 -0.010 0.000 1.094 339 L CA 0.859 55.742 54.840 0.072 0.000 0.763 339 L CB -0.263 41.912 42.059 0.193 0.000 0.908 339 L HN 0.351 nan 8.230 nan 0.000 0.437 340 M N -1.116 118.591 119.600 0.178 0.000 2.248 340 M HA -0.147 4.333 4.480 -0.001 0.000 0.265 340 M C 2.345 178.736 176.300 0.153 0.000 1.079 340 M CA 1.872 57.330 55.300 0.262 0.000 1.150 340 M CB -0.490 32.511 32.600 0.669 0.000 1.366 340 M HN 0.163 nan 8.290 nan 0.000 0.433 341 T N 0.791 115.423 114.554 0.130 0.000 2.759 341 T HA -0.193 4.156 4.350 -0.001 0.000 0.269 341 T C 1.600 176.342 174.700 0.068 0.000 1.042 341 T CA 2.037 64.200 62.100 0.105 0.000 1.140 341 T CB -0.451 68.455 68.868 0.063 0.000 0.864 341 T HN 0.499 nan 8.240 nan 0.000 0.455 342 D N -0.312 120.071 120.400 -0.027 0.000 2.084 342 D HA -0.134 4.505 4.640 -0.001 0.000 0.194 342 D C 2.164 178.377 176.300 -0.145 0.000 0.990 342 D CA 1.372 55.319 54.000 -0.089 0.000 0.826 342 D CB -0.123 40.598 40.800 -0.131 0.000 0.971 342 D HN 0.312 nan 8.370 nan 0.000 0.453 343 Q N -0.221 119.410 119.800 -0.282 0.000 2.124 343 Q HA -0.089 4.251 4.340 -0.001 0.000 0.202 343 Q C 2.020 177.969 176.000 -0.085 0.000 0.977 343 Q CA 0.909 56.542 55.803 -0.285 0.000 0.850 343 Q CB -0.764 27.637 28.738 -0.562 0.000 0.901 343 Q HN 0.403 nan 8.270 nan 0.000 0.429 344 F N 1.157 121.028 119.950 -0.132 0.000 2.171 344 F HA -0.196 4.331 4.527 -0.001 0.000 0.300 344 F C 1.988 177.704 175.800 -0.140 0.000 1.090 344 F CA 1.450 59.383 58.000 -0.112 0.000 1.293 344 F CB 0.094 39.029 39.000 -0.108 0.000 1.013 344 F HN 0.119 nan 8.300 nan 0.000 0.486 345 R N -0.582 119.849 120.500 -0.114 0.000 2.200 345 R HA 0.024 4.364 4.340 -0.001 0.000 0.208 345 R C 1.728 177.918 176.300 -0.184 0.000 1.033 345 R CA 1.222 57.212 56.100 -0.183 0.000 1.000 345 R CB -1.152 29.110 30.300 -0.062 0.000 0.906 345 R HN 0.283 nan 8.270 nan 0.000 0.462 346 V N 1.635 121.454 119.914 -0.157 0.000 2.515 346 V HA -0.095 4.024 4.120 -0.001 0.000 0.250 346 V C 2.516 178.515 176.094 -0.158 0.000 1.058 346 V CA 2.046 64.266 62.300 -0.134 0.000 1.064 346 V CB -0.695 31.059 31.823 -0.116 0.000 0.675 346 V HN 0.570 nan 8.190 nan 0.000 0.461 347 G N -0.218 108.453 108.800 -0.216 0.000 2.394 347 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.215 347 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.215 347 G C 1.453 176.169 174.900 -0.306 0.000 1.165 347 G CA 0.485 45.439 45.100 -0.242 0.000 0.784 347 G HN 0.357 nan 8.290 nan 0.000 0.535 348 L N 1.535 122.499 121.223 -0.432 0.000 2.042 348 L HA 0.009 4.349 4.340 -0.001 0.000 0.210 348 L C 3.240 179.977 176.870 -0.222 0.000 1.076 348 L CA 1.662 56.271 54.840 -0.385 0.000 0.749 348 L CB -1.016 40.794 42.059 -0.416 0.000 0.893 348 L HN 0.292 nan 8.230 nan 0.000 0.432 349 A N -0.766 121.949 122.820 -0.176 0.000 1.902 349 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 349 A C 2.446 179.966 177.584 -0.106 0.000 1.181 349 A CA 1.502 53.468 52.037 -0.118 0.000 0.623 349 A CB -0.438 18.507 19.000 -0.092 0.000 0.818 349 A HN 0.366 nan 8.150 nan 0.000 0.443 350 R N -1.063 119.369 120.500 -0.113 0.000 2.091 350 R HA -0.141 4.198 4.340 -0.001 0.000 0.238 350 R C 2.151 178.395 176.300 -0.094 0.000 1.136 350 R CA 1.549 57.594 56.100 -0.092 0.000 0.959 350 R CB -0.579 29.668 30.300 -0.090 0.000 0.856 350 R HN 0.540 nan 8.270 nan 0.000 0.437 351 L N 0.493 121.642 121.223 -0.124 0.000 2.044 351 L HA 0.019 4.359 4.340 -0.001 0.000 0.205 351 L C 2.241 179.046 176.870 -0.109 0.000 1.075 351 L CA 1.904 56.674 54.840 -0.117 0.000 0.747 351 L CB -0.569 41.402 42.059 -0.146 0.000 0.903 351 L HN 0.083 nan 8.230 nan 0.000 0.435 352 A N -0.082 122.664 122.820 -0.125 0.000 2.019 352 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 352 A C 2.508 180.045 177.584 -0.078 0.000 1.164 352 A CA 1.630 53.599 52.037 -0.113 0.000 0.644 352 A CB -0.753 18.178 19.000 -0.116 0.000 0.805 352 A HN 0.590 nan 8.150 nan 0.000 0.449 353 R N -0.433 120.025 120.500 -0.070 0.000 2.070 353 R HA -0.113 4.227 4.340 -0.001 0.000 0.233 353 R C 2.211 178.487 176.300 -0.041 0.000 1.137 353 R CA 1.841 57.912 56.100 -0.049 0.000 0.945 353 R CB -0.754 29.517 30.300 -0.047 0.000 0.845 353 R HN 0.398 nan 8.270 nan 0.000 0.430 354 G N 0.113 108.885 108.800 -0.045 0.000 2.464 354 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.217 354 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.217 354 G C 1.372 176.251 174.900 -0.035 0.000 1.138 354 G CA 0.485 45.563 45.100 -0.036 0.000 0.793 354 G HN 0.289 nan 8.290 nan 0.000 0.539 355 V N 0.705 120.591 119.914 -0.047 0.000 2.490 355 V HA -0.081 4.039 4.120 -0.001 0.000 0.250 355 V C 2.718 178.793 176.094 -0.032 0.000 1.061 355 V CA 2.434 64.707 62.300 -0.044 0.000 1.064 355 V CB -0.322 31.458 31.823 -0.072 0.000 0.670 355 V HN 0.443 nan 8.190 nan 0.000 0.461 356 R N -0.332 120.149 120.500 -0.032 0.000 2.148 356 R HA -0.140 4.200 4.340 -0.001 0.000 0.227 356 R C 2.176 178.470 176.300 -0.010 0.000 1.103 356 R CA 1.857 57.945 56.100 -0.019 0.000 0.983 356 R CB -0.234 30.055 30.300 -0.018 0.000 0.874 356 R HN 0.653 nan 8.270 nan 0.000 0.451 357 E N -0.254 119.939 120.200 -0.012 0.000 2.150 357 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 357 E C 1.798 178.397 176.600 -0.002 0.000 0.985 357 E CA 0.905 57.301 56.400 -0.006 0.000 0.814 357 E CB 0.147 29.841 29.700 -0.009 0.000 0.752 357 E HN 0.235 nan 8.360 nan 0.000 0.466 358 R N 0.024 120.523 120.500 -0.003 0.000 2.297 358 R HA 0.132 4.471 4.340 -0.001 0.000 0.197 358 R C 2.040 178.347 176.300 0.012 0.000 0.943 358 R CA 0.125 56.228 56.100 0.004 0.000 1.038 358 R CB 0.046 30.347 30.300 0.002 0.000 0.957 358 R HN 0.134 nan 8.270 nan 0.000 0.484 359 M N 0.485 120.091 119.600 0.010 0.000 2.296 359 M HA -0.082 4.397 4.480 -0.001 0.000 0.265 359 M C 0.926 177.241 176.300 0.025 0.000 1.064 359 M CA 1.774 57.086 55.300 0.020 0.000 1.109 359 M CB 0.149 32.758 32.600 0.015 0.000 1.396 359 M HN 0.177 nan 8.290 nan 0.000 0.430 360 L N -2.352 118.881 121.223 0.017 0.000 2.463 360 L HA 0.077 4.417 4.340 -0.001 0.000 0.219 360 L C 2.395 179.274 176.870 0.015 0.000 1.088 360 L CA 0.071 54.920 54.840 0.016 0.000 0.849 360 L CB -0.723 41.343 42.059 0.011 0.000 1.012 360 L HN 0.220 nan 8.230 nan 0.000 0.468 361 M N 1.273 120.881 119.600 0.013 0.000 2.160 361 M HA 0.130 4.610 4.480 -0.001 0.000 0.264 361 M C 1.178 177.487 176.300 0.015 0.000 1.073 361 M CA 0.986 56.293 55.300 0.012 0.000 1.142 361 M CB -0.041 32.564 32.600 0.009 0.000 1.358 361 M HN 0.312 nan 8.290 nan 0.000 0.422 362 G N 0.609 109.422 108.800 0.021 0.000 2.299 362 G HA2 0.139 4.099 3.960 -0.001 0.000 0.256 362 G HA3 0.139 4.099 3.960 -0.001 0.000 0.256 362 G C 0.497 175.410 174.900 0.022 0.000 1.259 362 G CA -0.130 44.984 45.100 0.024 0.000 0.943 362 G HN 0.458 nan 8.290 nan 0.000 0.479 363 S N 1.742 117.451 115.700 0.016 0.000 2.462 363 S HA -0.081 4.389 4.470 -0.001 0.000 0.219 363 S C 1.351 175.955 174.600 0.007 0.000 1.048 363 S CA 0.991 59.197 58.200 0.010 0.000 1.119 363 S CB -0.139 63.065 63.200 0.006 0.000 1.100 363 S HN 0.706 nan 8.310 nan 0.000 0.411 364 E N 0.260 120.460 120.200 0.001 0.000 2.819 364 E HA 0.193 4.543 4.350 -0.001 0.000 0.241 364 E C 1.163 177.754 176.600 -0.015 0.000 0.987 364 E CA -0.533 55.858 56.400 -0.016 0.000 1.024 364 E CB -0.360 29.323 29.700 -0.028 0.000 1.448 364 E HN 0.316 nan 8.360 nan 0.000 0.484 365 D N 0.298 120.656 120.400 -0.071 0.000 2.158 365 D HA -0.130 4.509 4.640 -0.001 0.000 0.197 365 D C -0.285 176.034 176.300 0.032 0.000 0.995 365 D CA 0.797 54.730 54.000 -0.113 0.000 0.846 365 D CB 0.113 40.742 40.800 -0.286 0.000 0.941 365 D HN 0.065 nan 8.370 nan 0.000 0.456 366 S N 0.105 115.818 115.700 0.021 0.000 3.355 366 S HA 0.149 4.619 4.470 -0.001 0.000 0.293 366 S C 0.422 175.057 174.600 0.059 0.000 1.197 366 S CA -0.128 58.099 58.200 0.046 0.000 1.117 366 S CB -0.197 63.019 63.200 0.027 0.000 1.587 366 S HN 0.313 nan 8.310 nan 0.000 0.536 367 L N 0.370 121.646 121.223 0.088 0.000 3.521 367 L HA 0.247 4.586 4.340 -0.001 0.000 0.323 367 L C 1.486 178.400 176.870 0.074 0.000 1.268 367 L CA -0.156 54.729 54.840 0.076 0.000 1.064 367 L CB -0.766 41.342 42.059 0.082 0.000 1.455 367 L HN 0.203 nan 8.230 nan 0.000 0.622 368 T N 0.346 114.949 114.554 0.081 0.000 2.668 368 T HA -0.000 4.349 4.350 -0.001 0.000 0.262 368 T C -0.658 174.082 174.700 0.066 0.000 1.045 368 T CA 1.672 63.814 62.100 0.070 0.000 1.152 368 T CB -0.771 68.142 68.868 0.075 0.000 0.864 368 T HN 0.226 nan 8.240 nan 0.000 0.419 369 P HA -0.001 nan 4.420 nan 0.000 0.207 369 P C 1.400 178.737 177.300 0.063 0.000 0.993 369 P CA 1.180 64.323 63.100 0.071 0.000 0.885 369 P CB -0.341 31.398 31.700 0.066 0.000 0.600 370 A N -1.236 121.617 122.820 0.055 0.000 2.014 370 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 370 A C 2.206 179.808 177.584 0.031 0.000 1.163 370 A CA 1.746 53.809 52.037 0.043 0.000 0.652 370 A CB -1.214 17.811 19.000 0.041 0.000 0.808 370 A HN 0.161 nan 8.150 nan 0.000 0.449 371 K N -1.103 119.317 120.400 0.033 0.000 2.147 371 K HA -0.042 4.278 4.320 -0.001 0.000 0.205 371 K C 1.259 177.870 176.600 0.018 0.000 1.049 371 K CA 1.118 57.421 56.287 0.026 0.000 0.936 371 K CB -0.119 32.401 32.500 0.035 0.000 0.722 371 K HN 0.357 nan 8.250 nan 0.000 0.446 372 L N -0.892 120.343 121.223 0.019 0.000 2.470 372 L HA 0.186 4.525 4.340 -0.001 0.000 0.219 372 L C -0.149 176.715 176.870 -0.011 0.000 1.071 372 L CA 0.390 55.230 54.840 0.000 0.000 0.850 372 L CB 0.631 42.690 42.059 -0.001 0.000 1.040 372 L HN -0.199 nan 8.230 nan 0.000 0.475 373 V N 1.834 121.752 119.914 0.007 0.000 2.547 373 V HA 0.440 4.559 4.120 -0.001 0.000 0.299 373 V C -0.528 175.565 176.094 -0.001 0.000 1.040 373 V CA -0.726 61.576 62.300 0.002 0.000 0.913 373 V CB 1.722 33.568 31.823 0.038 0.000 0.992 373 V HN 0.503 nan 8.190 nan 0.000 0.449 374 N N 1.922 120.609 118.700 -0.021 0.000 2.558 374 N HA 0.139 4.879 4.740 -0.001 0.000 0.285 374 N C -0.106 175.374 175.510 -0.051 0.000 1.112 374 N CA -0.503 52.528 53.050 -0.033 0.000 0.857 374 N CB 1.873 40.341 38.487 -0.033 0.000 1.376 374 N HN 0.377 nan 8.380 nan 0.000 0.526 375 S N 1.664 117.324 115.700 -0.067 0.000 2.603 375 S HA -0.034 4.436 4.470 -0.001 0.000 0.229 375 S C 1.652 176.198 174.600 -0.089 0.000 0.972 375 S CA 0.189 58.335 58.200 -0.089 0.000 0.935 375 S CB -0.099 63.007 63.200 -0.157 0.000 0.769 375 S HN 0.502 nan 8.310 nan 0.000 0.536 376 R N 2.176 122.632 120.500 -0.074 0.000 2.080 376 R HA -0.036 4.304 4.340 -0.001 0.000 0.236 376 R C -0.822 175.446 176.300 -0.054 0.000 1.137 376 R CA 1.654 57.717 56.100 -0.062 0.000 0.943 376 R CB -1.483 28.788 30.300 -0.049 0.000 0.846 376 R HN 0.291 nan 8.270 nan 0.000 0.431 377 P HA -0.162 nan 4.420 nan 0.000 0.213 377 P C 1.119 178.380 177.300 -0.064 0.000 1.170 377 P CA 0.897 63.960 63.100 -0.061 0.000 0.898 377 P CB -0.036 31.618 31.700 -0.076 0.000 0.787 378 L N -0.448 120.724 121.223 -0.085 0.000 2.081 378 L HA -0.210 4.130 4.340 -0.001 0.000 0.212 378 L C 2.292 179.155 176.870 -0.012 0.000 1.080 378 L CA 1.978 56.768 54.840 -0.084 0.000 0.754 378 L CB -1.227 40.772 42.059 -0.101 0.000 0.893 378 L HN -0.124 nan 8.230 nan 0.000 0.433 379 E N -0.543 119.647 120.200 -0.017 0.000 2.017 379 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 379 E C 2.215 178.833 176.600 0.029 0.000 0.997 379 E CA 1.554 57.959 56.400 0.007 0.000 0.804 379 E CB -0.549 29.129 29.700 -0.038 0.000 0.757 379 E HN 0.468 nan 8.360 nan 0.000 0.448 380 A N 0.805 123.631 122.820 0.010 0.000 1.917 380 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 380 A C 2.378 179.993 177.584 0.051 0.000 1.182 380 A CA 2.558 54.610 52.037 0.025 0.000 0.633 380 A CB -1.051 17.952 19.000 0.006 0.000 0.819 380 A HN 0.351 nan 8.150 nan 0.000 0.448 381 A N 0.013 122.855 122.820 0.037 0.000 1.835 381 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 381 A C 2.139 179.803 177.584 0.134 0.000 1.199 381 A CA 1.524 53.592 52.037 0.050 0.000 0.615 381 A CB -0.763 18.230 19.000 -0.012 0.000 0.838 381 A HN 0.475 nan 8.150 nan 0.000 0.444 382 I N -0.722 119.944 120.570 0.160 0.000 2.118 382 I HA -0.337 3.833 4.170 -0.001 0.000 0.241 382 I C 2.737 179.069 176.117 0.359 0.000 1.070 382 I CA 2.122 63.599 61.300 0.294 0.000 1.327 382 I CB -0.401 37.746 38.000 0.245 0.000 1.034 382 I HN 0.454 nan 8.210 nan 0.000 0.405 383 R N 1.297 121.928 120.500 0.217 0.000 2.112 383 R HA -0.291 4.049 4.340 -0.001 0.000 0.242 383 R C 2.195 178.623 176.300 0.213 0.000 1.137 383 R CA 2.348 58.561 56.100 0.189 0.000 0.944 383 R CB -0.424 29.941 30.300 0.108 0.000 0.857 383 R HN 0.346 nan 8.270 nan 0.000 0.435 384 E N -1.010 119.299 120.200 0.181 0.000 2.130 384 E HA -0.239 4.111 4.350 -0.001 0.000 0.196 384 E C 1.595 178.316 176.600 0.201 0.000 0.998 384 E CA 1.604 58.097 56.400 0.155 0.000 0.806 384 E CB -0.218 29.560 29.700 0.129 0.000 0.738 384 E HN 0.418 nan 8.360 nan 0.000 0.459 385 F N -0.575 119.425 119.950 0.083 0.000 2.163 385 F HA -0.047 4.479 4.527 -0.001 0.000 0.297 385 F C 1.472 177.197 175.800 -0.125 0.000 1.094 385 F CA 1.049 59.036 58.000 -0.021 0.000 1.290 385 F CB -0.215 38.777 39.000 -0.012 0.000 1.017 385 F HN 0.026 nan 8.300 nan 0.000 0.483 386 F N -0.329 119.588 119.950 -0.055 0.000 2.710 386 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 386 F C 2.359 178.047 175.800 -0.186 0.000 1.137 386 F CA 0.944 58.809 58.000 -0.226 0.000 1.444 386 F CB -0.502 38.420 39.000 -0.131 0.000 1.111 386 F HN 0.055 nan 8.300 nan 0.000 0.580 387 S N -1.730 113.989 115.700 0.031 0.000 2.593 387 S HA 0.208 4.678 4.470 -0.001 0.000 0.235 387 S C 1.534 176.119 174.600 -0.025 0.000 1.059 387 S CA -0.331 57.876 58.200 0.012 0.000 0.953 387 S CB 0.291 63.526 63.200 0.058 0.000 0.897 387 S HN 0.147 nan 8.310 nan 0.000 0.507 388 R N 1.559 122.036 120.500 -0.038 0.000 2.369 388 R HA 0.413 4.753 4.340 -0.001 0.000 0.210 388 R C 0.651 176.900 176.300 -0.086 0.000 0.881 388 R CA 0.324 56.403 56.100 -0.035 0.000 1.031 388 R CB -0.076 30.230 30.300 0.010 0.000 1.184 388 R HN 0.323 nan 8.270 nan 0.000 0.581 389 S N 1.439 117.029 115.700 -0.184 0.000 2.546 389 S HA -0.083 4.387 4.470 -0.001 0.000 0.290 389 S C 1.029 175.489 174.600 -0.233 0.000 1.290 389 S CA -0.120 57.928 58.200 -0.252 0.000 1.069 389 S CB 0.546 63.314 63.200 -0.720 0.000 0.846 389 S HN 0.294 nan 8.310 nan 0.000 0.495 390 Q N 3.405 123.125 119.800 -0.134 0.000 2.308 390 Q HA -0.176 4.163 4.340 -0.001 0.000 0.209 390 Q C 1.817 177.731 176.000 -0.143 0.000 0.985 390 Q CA 1.326 57.067 55.803 -0.103 0.000 0.881 390 Q CB -0.241 28.462 28.738 -0.058 0.000 0.917 390 Q HN 0.780 nan 8.270 nan 0.000 0.443 391 L N -0.149 120.938 121.223 -0.227 0.000 2.162 391 L HA 0.039 4.378 4.340 -0.001 0.000 0.205 391 L C 0.653 177.335 176.870 -0.314 0.000 1.086 391 L CA 0.410 55.095 54.840 -0.257 0.000 0.778 391 L CB 0.434 42.322 42.059 -0.286 0.000 0.928 391 L HN -0.071 nan 8.230 nan 0.000 0.446 392 S N -0.334 115.105 115.700 -0.435 0.000 2.499 392 S HA 0.440 4.910 4.470 -0.001 0.000 0.279 392 S C -0.654 173.837 174.600 -0.180 0.000 1.219 392 S CA -0.540 57.429 58.200 -0.385 0.000 1.062 392 S CB 1.100 63.936 63.200 -0.606 0.000 0.978 392 S HN 0.245 nan 8.310 nan 0.000 0.489 393 Q N 1.080 120.860 119.800 -0.033 0.000 2.605 393 Q HA 0.496 4.836 4.340 -0.001 0.000 0.296 393 Q C -1.040 175.034 176.000 0.123 0.000 1.056 393 Q CA -0.842 55.013 55.803 0.087 0.000 0.778 393 Q CB 0.797 29.637 28.738 0.170 0.000 1.497 393 Q HN 0.600 nan 8.270 nan 0.000 0.443 394 F N 1.785 121.691 119.950 -0.073 0.000 2.623 394 F HA -0.021 4.505 4.527 -0.001 0.000 0.383 394 F C 0.707 176.323 175.800 -0.306 0.000 1.077 394 F CA 0.621 58.540 58.000 -0.135 0.000 1.268 394 F CB 0.518 39.439 39.000 -0.131 0.000 1.053 394 F HN 0.227 nan 8.300 nan 0.000 0.571 395 K N 4.459 124.705 120.400 -0.258 0.000 2.349 395 K HA -0.022 4.298 4.320 -0.001 0.000 0.288 395 K C -0.527 175.909 176.600 -0.273 0.000 1.058 395 K CA -0.541 55.544 56.287 -0.336 0.000 0.953 395 K CB 0.327 32.724 32.500 -0.173 0.000 0.997 395 K HN 0.506 nan 8.250 nan 0.000 0.477 396 D N 5.034 125.166 120.400 -0.446 0.000 2.416 396 D HA -0.018 4.622 4.640 -0.001 0.000 0.240 396 D C -0.659 175.572 176.300 -0.114 0.000 1.250 396 D CA 0.167 54.042 54.000 -0.209 0.000 0.967 396 D CB 0.321 41.022 40.800 -0.166 0.000 1.059 396 D HN 0.474 nan 8.370 nan 0.000 0.512 397 E N 2.506 122.654 120.200 -0.087 0.000 2.663 397 E HA 0.086 4.436 4.350 -0.001 0.000 0.240 397 E C 0.938 177.506 176.600 -0.053 0.000 1.227 397 E CA -0.195 56.172 56.400 -0.055 0.000 1.528 397 E CB 0.392 30.064 29.700 -0.046 0.000 1.472 397 E HN 0.355 nan 8.360 nan 0.000 0.433 398 T N 1.199 115.705 114.554 -0.079 0.000 2.652 398 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 398 T C 0.744 175.453 174.700 0.014 0.000 1.039 398 T CA 1.662 63.719 62.100 -0.072 0.000 1.153 398 T CB -0.269 68.551 68.868 -0.080 0.000 0.863 398 T HN 0.489 nan 8.240 nan 0.000 0.428 399 N N -0.043 118.667 118.700 0.016 0.000 2.336 399 N HA 0.373 5.113 4.740 -0.001 0.000 0.290 399 N C -2.853 172.672 175.510 0.025 0.000 1.058 399 N CA -1.883 51.189 53.050 0.036 0.000 0.865 399 N CB 2.102 40.623 38.487 0.056 0.000 1.581 399 N HN -0.281 nan 8.380 nan 0.000 0.480 400 P HA -0.313 nan 4.420 nan 0.000 0.229 400 P C 1.387 178.700 177.300 0.021 0.000 1.147 400 P CA 1.210 64.321 63.100 0.017 0.000 0.949 400 P CB 0.139 31.852 31.700 0.022 0.000 0.786 401 L N -0.960 120.282 121.223 0.031 0.000 2.129 401 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 401 L C 2.419 179.306 176.870 0.029 0.000 1.087 401 L CA 2.229 57.087 54.840 0.030 0.000 0.757 401 L CB -1.522 40.561 42.059 0.040 0.000 0.896 401 L HN -0.048 nan 8.230 nan 0.000 0.434 402 S N -1.157 114.559 115.700 0.028 0.000 2.343 402 S HA -0.211 4.259 4.470 -0.001 0.000 0.219 402 S C 2.288 176.912 174.600 0.040 0.000 1.033 402 S CA 1.850 60.067 58.200 0.028 0.000 1.014 402 S CB -0.636 62.568 63.200 0.007 0.000 0.915 402 S HN 0.815 nan 8.310 nan 0.000 0.435 403 S N 1.674 117.385 115.700 0.018 0.000 2.365 403 S HA -0.144 4.326 4.470 -0.001 0.000 0.225 403 S C 1.894 176.525 174.600 0.051 0.000 1.039 403 S CA 1.516 59.729 58.200 0.020 0.000 1.033 403 S CB -1.123 62.071 63.200 -0.011 0.000 0.887 403 S HN 0.415 nan 8.310 nan 0.000 0.447 404 L N 1.862 123.102 121.223 0.029 0.000 2.079 404 L HA -0.011 4.329 4.340 -0.001 0.000 0.210 404 L C 2.868 179.756 176.870 0.030 0.000 1.081 404 L CA 1.826 56.678 54.840 0.020 0.000 0.752 404 L CB -0.660 41.404 42.059 0.007 0.000 0.896 404 L HN 0.351 nan 8.230 nan 0.000 0.433 405 R N -1.840 118.685 120.500 0.043 0.000 2.073 405 R HA -0.178 4.162 4.340 -0.001 0.000 0.229 405 R C 2.358 178.690 176.300 0.054 0.000 1.120 405 R CA 1.135 57.258 56.100 0.038 0.000 0.967 405 R CB -0.439 29.884 30.300 0.039 0.000 0.862 405 R HN 0.522 nan 8.270 nan 0.000 0.436 406 H N 0.936 120.000 119.070 -0.009 0.000 2.545 406 H HA -0.024 4.532 4.556 -0.000 0.000 0.282 406 H C 0.974 176.296 175.328 -0.009 0.000 1.020 406 H CA 1.128 57.171 56.048 -0.009 0.000 1.243 406 H CB 0.419 30.177 29.762 -0.005 0.000 1.377 406 H HN 0.184 nan 8.280 nan 0.000 0.581 407 K N 0.210 120.662 120.400 0.087 0.000 2.186 407 K HA -0.015 4.305 4.320 -0.001 0.000 0.202 407 K C 2.079 178.672 176.600 -0.012 0.000 1.052 407 K CA 0.926 57.244 56.287 0.051 0.000 0.965 407 K CB 0.287 32.813 32.500 0.044 0.000 0.746 407 K HN 0.272 nan 8.250 nan 0.000 0.457 408 R N 1.649 122.133 120.500 -0.027 0.000 2.432 408 R HA 0.113 4.453 4.340 -0.001 0.000 0.260 408 R C -0.085 176.182 176.300 -0.056 0.000 0.935 408 R CA -0.328 55.750 56.100 -0.036 0.000 1.080 408 R CB 0.089 30.373 30.300 -0.026 0.000 1.155 408 R HN 0.011 nan 8.270 nan 0.000 0.531 409 R N 0.835 121.283 120.500 -0.088 0.000 2.410 409 R HA 0.346 4.686 4.340 -0.001 0.000 0.288 409 R C -0.660 175.581 176.300 -0.099 0.000 1.051 409 R CA -0.530 55.516 56.100 -0.089 0.000 1.021 409 R CB 0.888 31.129 30.300 -0.099 0.000 1.032 409 R HN 0.038 nan 8.270 nan 0.000 0.481 410 I N 2.406 122.932 120.570 -0.074 0.000 2.315 410 I HA 0.114 4.284 4.170 -0.001 0.000 0.291 410 I C -0.019 176.063 176.117 -0.059 0.000 1.006 410 I CA -0.114 61.147 61.300 -0.064 0.000 1.265 410 I CB 1.760 39.730 38.000 -0.049 0.000 1.387 410 I HN 0.783 nan 8.210 nan 0.000 0.475 411 S N 4.402 120.065 115.700 -0.063 0.000 2.638 411 S HA 0.699 5.169 4.470 -0.001 0.000 0.298 411 S C 0.595 175.177 174.600 -0.029 0.000 1.111 411 S CA -0.008 58.163 58.200 -0.049 0.000 1.027 411 S CB 1.867 65.026 63.200 -0.068 0.000 1.064 411 S HN 0.692 nan 8.310 nan 0.000 0.525 412 A N 2.403 125.218 122.820 -0.009 0.000 1.909 412 A HA 0.354 4.674 4.320 -0.001 0.000 0.210 412 A C 0.614 178.201 177.584 0.005 0.000 1.273 412 A CA 0.465 52.508 52.037 0.011 0.000 0.654 412 A CB -1.283 17.737 19.000 0.033 0.000 0.945 412 A HN 0.971 nan 8.150 nan 0.000 0.471 413 L N -1.730 119.494 121.223 0.003 0.000 2.529 413 L HA 0.539 4.879 4.340 -0.001 0.000 0.287 413 L C 0.493 177.357 176.870 -0.010 0.000 1.241 413 L CA 0.753 55.594 54.840 0.001 0.000 0.857 413 L CB -0.710 41.347 42.059 -0.003 0.000 1.113 413 L HN 0.615 nan 8.230 nan 0.000 0.504 414 G N 1.024 109.823 108.800 -0.000 0.000 2.593 414 G HA2 0.225 4.185 3.960 -0.001 0.000 0.103 414 G HA3 0.225 4.185 3.960 -0.001 0.000 0.103 414 G C -2.130 172.785 174.900 0.024 0.000 1.103 414 G CA 0.148 45.248 45.100 -0.000 0.000 1.109 414 G HN 0.398 nan 8.290 nan 0.000 0.516 415 P HA -0.009 nan 4.420 nan 0.000 0.219 415 P C 1.506 178.834 177.300 0.047 0.000 1.145 415 P CA 3.284 66.417 63.100 0.055 0.000 0.813 415 P CB -0.063 31.670 31.700 0.055 0.000 0.771 416 G N -2.976 105.850 108.800 0.043 0.000 2.258 416 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.233 416 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.233 416 G C 1.332 176.262 174.900 0.050 0.000 1.006 416 G CA 0.242 45.362 45.100 0.034 0.000 0.620 416 G HN 0.522 nan 8.290 nan 0.000 0.511 417 G N 0.591 109.444 108.800 0.088 0.000 2.402 417 G HA2 0.235 4.195 3.960 -0.001 0.000 0.216 417 G HA3 0.235 4.195 3.960 -0.001 0.000 0.216 417 G C 1.615 176.643 174.900 0.214 0.000 1.162 417 G CA 1.622 46.814 45.100 0.153 0.000 0.777 417 G HN 0.593 nan 8.290 nan 0.000 0.539 418 L N 0.246 121.583 121.223 0.189 0.000 1.893 418 L HA 0.248 4.587 4.340 -0.001 0.000 0.218 418 L C 1.529 178.490 176.870 0.153 0.000 1.124 418 L CA 1.587 56.556 54.840 0.215 0.000 0.850 418 L CB -0.979 41.172 42.059 0.152 0.000 0.904 418 L HN 0.137 nan 8.230 nan 0.000 0.462 419 T N 0.036 114.649 114.554 0.099 0.000 2.824 419 T HA 0.508 4.858 4.350 -0.001 0.000 0.282 419 T C -0.165 174.562 174.700 0.046 0.000 0.993 419 T CA -0.743 61.402 62.100 0.073 0.000 0.967 419 T CB 1.052 69.962 68.868 0.071 0.000 0.960 419 T HN 0.157 nan 8.240 nan 0.000 0.441 420 R N 2.073 122.593 120.500 0.034 0.000 2.541 420 R HA 0.367 4.707 4.340 -0.001 0.000 0.254 420 R C 1.090 177.403 176.300 0.021 0.000 1.130 420 R CA -0.533 55.579 56.100 0.019 0.000 1.152 420 R CB 0.678 30.981 30.300 0.006 0.000 1.222 420 R HN 0.850 nan 8.270 nan 0.000 0.579 421 E N 0.066 120.274 120.200 0.014 0.000 2.190 421 E HA -0.043 4.307 4.350 -0.001 0.000 0.191 421 E C 1.158 177.768 176.600 0.016 0.000 0.978 421 E CA 0.691 57.100 56.400 0.015 0.000 0.839 421 E CB 0.353 30.058 29.700 0.008 0.000 0.787 421 E HN 0.214 nan 8.360 nan 0.000 0.473 422 R N -0.101 120.406 120.500 0.011 0.000 2.320 422 R HA 0.318 4.658 4.340 -0.001 0.000 0.211 422 R C -0.798 175.515 176.300 0.021 0.000 0.931 422 R CA 0.460 56.566 56.100 0.010 0.000 1.071 422 R CB 0.822 31.123 30.300 0.002 0.000 1.025 422 R HN 0.036 nan 8.270 nan 0.000 0.495 423 A N -0.767 122.072 122.820 0.031 0.000 2.277 423 A HA 0.627 4.946 4.320 -0.001 0.000 0.318 423 A C 0.590 178.214 177.584 0.066 0.000 1.339 423 A CA -0.218 51.848 52.037 0.048 0.000 0.875 423 A CB 0.984 20.009 19.000 0.040 0.000 1.158 423 A HN 0.323 nan 8.150 nan 0.000 0.514 424 G N 0.289 109.147 108.800 0.097 0.000 2.540 424 G HA2 0.053 4.012 3.960 -0.001 0.000 0.163 424 G HA3 0.053 4.012 3.960 -0.001 0.000 0.163 424 G C 1.041 176.061 174.900 0.198 0.000 1.501 424 G CA 0.439 45.611 45.100 0.119 0.000 0.715 424 G HN 0.569 nan 8.290 nan 0.000 1.086 425 F N 2.799 122.761 119.950 0.021 0.000 2.141 425 F HA -0.278 4.248 4.527 -0.001 0.000 0.300 425 F C 2.691 178.504 175.800 0.022 0.000 1.079 425 F CA 2.072 60.085 58.000 0.021 0.000 1.264 425 F CB 0.351 39.361 39.000 0.018 0.000 1.011 425 F HN 0.324 nan 8.300 nan 0.000 0.487 426 D N -0.291 120.164 120.400 0.092 0.000 2.123 426 D HA -0.141 4.498 4.640 -0.001 0.000 0.200 426 D C 1.978 178.264 176.300 -0.023 0.000 0.976 426 D CA 1.665 55.641 54.000 -0.041 0.000 0.831 426 D CB -0.935 39.857 40.800 -0.013 0.000 0.974 426 D HN 0.296 nan 8.370 nan 0.000 0.469 427 V N 1.104 121.041 119.914 0.039 0.000 2.379 427 V HA -0.133 3.986 4.120 -0.001 0.000 0.245 427 V C 2.750 178.901 176.094 0.095 0.000 1.044 427 V CA 1.376 63.711 62.300 0.059 0.000 1.036 427 V CB -0.773 31.095 31.823 0.075 0.000 0.664 427 V HN 0.057 nan 8.190 nan 0.000 0.453 428 R N 0.748 121.315 120.500 0.112 0.000 2.127 428 R HA -0.087 4.253 4.340 -0.001 0.000 0.238 428 R C 0.551 176.923 176.300 0.120 0.000 1.134 428 R CA 1.046 57.226 56.100 0.133 0.000 0.975 428 R CB -0.499 29.908 30.300 0.179 0.000 0.865 428 R HN 0.596 nan 8.270 nan 0.000 0.447 429 D N 0.626 121.061 120.400 0.058 0.000 2.368 429 D HA -0.026 4.613 4.640 -0.001 0.000 0.240 429 D C -0.176 176.153 176.300 0.048 0.000 1.169 429 D CA -0.001 54.010 54.000 0.017 0.000 0.906 429 D CB 1.169 41.917 40.800 -0.085 0.000 1.187 429 D HN -0.156 nan 8.370 nan 0.000 0.435 430 V N 2.769 122.714 119.914 0.052 0.000 2.326 430 V HA -0.010 4.110 4.120 -0.001 0.000 0.249 430 V C 0.072 176.073 176.094 -0.154 0.000 1.114 430 V CA -0.197 62.150 62.300 0.078 0.000 1.028 430 V CB -0.691 31.226 31.823 0.156 0.000 1.170 430 V HN 0.465 nan 8.190 nan 0.000 0.494 431 H N 6.290 124.977 119.070 -0.638 0.000 2.895 431 H HA 0.221 4.776 4.556 -0.001 0.000 0.371 431 H C 1.485 176.600 175.328 -0.355 0.000 1.219 431 H CA 0.425 56.164 56.048 -0.517 0.000 1.431 431 H CB 0.850 30.259 29.762 -0.590 0.000 1.414 431 H HN 0.626 nan 8.280 nan 0.000 0.617 432 R N 1.509 121.301 120.500 -1.180 0.000 2.097 432 R HA -0.120 4.219 4.340 -0.001 0.000 0.236 432 R C 1.914 177.943 176.300 -0.453 0.000 1.135 432 R CA 2.061 57.713 56.100 -0.746 0.000 0.934 432 R CB -1.366 28.461 30.300 -0.788 0.000 0.846 432 R HN 0.704 nan 8.270 nan 0.000 0.431 433 T N 0.692 114.939 114.554 -0.511 0.000 3.025 433 T HA -0.092 4.258 4.350 -0.001 0.000 0.270 433 T C 1.376 176.173 174.700 0.162 0.000 1.126 433 T CA 0.860 62.913 62.100 -0.077 0.000 1.105 433 T CB -0.414 68.451 68.868 -0.004 0.000 0.884 433 T HN 0.504 nan 8.240 nan 0.000 0.522 434 H N -0.605 118.489 119.070 0.040 0.000 2.568 434 H HA 0.009 4.565 4.556 -0.000 0.000 0.281 434 H C 0.295 175.727 175.328 0.173 0.000 1.028 434 H CA -0.392 55.720 56.048 0.108 0.000 1.199 434 H CB -0.064 29.758 29.762 0.100 0.000 1.352 434 H HN 0.242 nan 8.280 nan 0.000 0.605 435 Y N 1.502 121.870 120.300 0.113 0.000 2.729 435 Y HA 0.006 4.556 4.550 -0.000 0.000 0.331 435 Y C 1.484 177.402 175.900 0.031 0.000 1.208 435 Y CA 0.516 58.657 58.100 0.068 0.000 1.521 435 Y CB -0.202 38.290 38.460 0.053 0.000 1.233 435 Y HN 0.424 nan 8.280 nan 0.000 0.539 436 G N 5.102 113.888 108.800 -0.024 0.000 2.238 436 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.270 436 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.270 436 G C 1.411 176.287 174.900 -0.040 0.000 0.977 436 G CA 1.142 46.146 45.100 -0.160 0.000 0.639 436 G HN 0.639 nan 8.290 nan 0.000 0.544 437 R N -1.001 119.517 120.500 0.030 0.000 2.221 437 R HA 0.546 4.885 4.340 -0.001 0.000 0.195 437 R C 0.328 176.637 176.300 0.016 0.000 0.956 437 R CA 0.704 56.827 56.100 0.038 0.000 1.064 437 R CB 0.528 30.874 30.300 0.076 0.000 1.049 437 R HN 0.434 nan 8.270 nan 0.000 0.534 438 I N -0.960 119.621 120.570 0.018 0.000 2.644 438 I HA 0.166 4.336 4.170 -0.001 0.000 0.291 438 I C -0.816 175.335 176.117 0.056 0.000 1.180 438 I CA -0.730 60.540 61.300 -0.049 0.000 1.040 438 I CB 1.953 39.756 38.000 -0.328 0.000 1.255 438 I HN -0.043 nan 8.210 nan 0.000 0.422 439 C N 7.532 126.874 119.300 0.071 0.000 2.662 439 C HA 0.239 4.699 4.460 -0.001 0.000 0.420 439 C C -0.720 174.351 174.990 0.135 0.000 1.314 439 C CA -0.479 58.627 59.018 0.146 0.000 1.963 439 C CB 0.518 28.321 27.740 0.105 0.000 2.686 439 C HN 0.694 nan 8.230 nan 0.000 0.609 440 P HA 0.035 nan 4.420 nan 0.000 0.252 440 P C 0.881 178.229 177.300 0.081 0.000 1.218 440 P CA 0.873 64.067 63.100 0.157 0.000 0.807 440 P CB 0.227 32.048 31.700 0.203 0.000 1.072 441 V N 0.237 120.170 119.914 0.031 0.000 2.672 441 V HA 0.005 4.125 4.120 -0.001 0.000 0.242 441 V C 2.575 178.660 176.094 -0.015 0.000 1.059 441 V CA 1.168 63.447 62.300 -0.035 0.000 1.081 441 V CB -1.186 30.542 31.823 -0.158 0.000 0.752 441 V HN 0.054 nan 8.190 nan 0.000 0.472 442 E N 0.826 121.025 120.200 -0.001 0.000 2.331 442 E HA -0.144 4.206 4.350 -0.001 0.000 0.199 442 E C 1.281 177.886 176.600 0.008 0.000 1.008 442 E CA 0.738 57.138 56.400 0.001 0.000 0.843 442 E CB -0.237 29.467 29.700 0.007 0.000 0.761 442 E HN 0.553 nan 8.360 nan 0.000 0.507 443 T N 1.010 115.576 114.554 0.020 0.000 2.940 443 T HA 0.088 4.438 4.350 -0.001 0.000 0.309 443 T C -2.462 172.252 174.700 0.023 0.000 1.056 443 T CA -1.671 60.444 62.100 0.026 0.000 1.137 443 T CB 0.663 69.558 68.868 0.046 0.000 0.976 443 T HN -0.099 nan 8.240 nan 0.000 0.547 444 P HA 0.200 nan 4.420 nan 0.000 0.275 444 P C -0.399 176.916 177.300 0.025 0.000 1.228 444 P CA -0.275 62.837 63.100 0.021 0.000 0.786 444 P CB 0.437 32.148 31.700 0.018 0.000 0.927 445 E N 1.780 121.993 120.200 0.022 0.000 2.289 445 E HA 0.496 4.846 4.350 -0.001 0.000 0.278 445 E C 0.540 177.152 176.600 0.020 0.000 1.032 445 E CA 0.349 56.763 56.400 0.023 0.000 0.854 445 E CB 0.821 30.533 29.700 0.020 0.000 1.046 445 E HN 0.699 nan 8.360 nan 0.000 0.409 446 G N 1.103 109.915 108.800 0.020 0.000 2.353 446 G HA2 0.039 3.999 3.960 -0.001 0.000 0.424 446 G HA3 0.039 3.999 3.960 -0.001 0.000 0.424 446 G C 0.478 175.387 174.900 0.015 0.000 1.320 446 G CA -0.226 44.883 45.100 0.015 0.000 0.995 446 G HN 0.458 nan 8.290 nan 0.000 0.580 447 A N -0.205 122.621 122.820 0.009 0.000 1.903 447 A HA -0.082 4.237 4.320 -0.001 0.000 0.219 447 A C 1.475 179.068 177.584 0.016 0.000 1.191 447 A CA 2.364 54.405 52.037 0.007 0.000 0.638 447 A CB -0.583 18.418 19.000 0.001 0.000 0.823 447 A HN 0.944 nan 8.150 nan 0.000 0.451 448 N N 0.025 118.735 118.700 0.017 0.000 3.178 448 N HA 0.360 5.100 4.740 -0.001 0.000 0.300 448 N C -0.654 174.874 175.510 0.030 0.000 1.242 448 N CA 0.177 53.240 53.050 0.022 0.000 1.192 448 N CB -0.008 38.487 38.487 0.014 0.000 1.463 448 N HN 0.612 nan 8.380 nan 0.000 0.539 449 I N -1.330 119.266 120.570 0.043 0.000 2.525 449 I HA 0.450 4.620 4.170 -0.001 0.000 0.301 449 I C 1.246 177.408 176.117 0.075 0.000 0.992 449 I CA -0.109 61.224 61.300 0.055 0.000 1.162 449 I CB 1.083 39.119 38.000 0.060 0.000 1.332 449 I HN 0.506 nan 8.210 nan 0.000 0.458 450 G N 5.471 114.317 108.800 0.077 0.000 2.343 450 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.264 450 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.264 450 G C 0.782 175.738 174.900 0.092 0.000 0.989 450 G CA 1.042 46.201 45.100 0.098 0.000 0.627 450 G HN 0.571 nan 8.290 nan 0.000 0.549 451 L N -0.803 120.462 121.223 0.070 0.000 2.168 451 L HA 0.333 4.672 4.340 -0.001 0.000 0.203 451 L C 0.941 177.829 176.870 0.030 0.000 1.078 451 L CA 0.439 55.313 54.840 0.057 0.000 0.780 451 L CB -0.017 42.071 42.059 0.050 0.000 0.939 451 L HN 0.165 nan 8.230 nan 0.000 0.451 452 I N 0.168 120.748 120.570 0.017 0.000 2.312 452 I HA 0.254 4.424 4.170 -0.001 0.000 0.290 452 I C 0.143 176.254 176.117 -0.011 0.000 1.008 452 I CA 0.182 61.477 61.300 -0.008 0.000 1.226 452 I CB 1.449 39.438 38.000 -0.018 0.000 1.371 452 I HN -0.091 nan 8.210 nan 0.000 0.468 453 T N 3.323 117.862 114.554 -0.026 0.000 2.982 453 T HA 0.542 4.891 4.350 -0.001 0.000 0.321 453 T C -0.513 174.162 174.700 -0.041 0.000 1.229 453 T CA -0.636 61.447 62.100 -0.027 0.000 1.044 453 T CB 0.928 69.781 68.868 -0.025 0.000 1.184 453 T HN 0.360 nan 8.240 nan 0.000 0.477 454 S N 3.179 118.860 115.700 -0.031 0.000 2.580 454 S HA 0.537 5.006 4.470 -0.001 0.000 0.274 454 S C 0.519 175.106 174.600 -0.022 0.000 1.329 454 S CA -0.824 57.358 58.200 -0.030 0.000 1.036 454 S CB 0.189 63.378 63.200 -0.017 0.000 0.919 454 S HN 0.893 nan 8.310 nan 0.000 0.515 455 L N 0.866 122.076 121.223 -0.022 0.000 2.468 455 L HA 0.840 5.180 4.340 -0.001 0.000 0.254 455 L C 0.484 177.361 176.870 0.011 0.000 1.171 455 L CA -0.706 54.126 54.840 -0.013 0.000 0.809 455 L CB -0.471 41.579 42.059 -0.015 0.000 1.155 455 L HN 0.634 nan 8.230 nan 0.000 0.473 456 A N 0.454 123.291 122.820 0.027 0.000 2.267 456 A HA 0.663 4.983 4.320 -0.001 0.000 0.271 456 A C 1.499 179.109 177.584 0.043 0.000 1.131 456 A CA 0.122 52.192 52.037 0.056 0.000 0.818 456 A CB -0.453 18.584 19.000 0.061 0.000 1.118 456 A HN 1.298 nan 8.150 nan 0.000 0.501 457 A N -0.603 122.258 122.820 0.068 0.000 1.862 457 A HA -0.133 4.187 4.320 -0.001 0.000 0.214 457 A C 1.595 179.156 177.584 -0.040 0.000 1.228 457 A CA 2.253 54.305 52.037 0.025 0.000 0.665 457 A CB -1.260 17.836 19.000 0.160 0.000 0.845 457 A HN 0.885 nan 8.150 nan 0.000 0.459 458 Y N 0.087 120.381 120.300 -0.010 0.000 2.490 458 Y HA 0.489 5.039 4.550 -0.000 0.000 0.281 458 Y C 1.519 177.484 175.900 0.107 0.000 1.174 458 Y CA -0.493 57.639 58.100 0.054 0.000 1.295 458 Y CB -0.851 37.625 38.460 0.027 0.000 1.062 458 Y HN 0.374 nan 8.280 nan 0.000 0.522 459 A N 2.164 125.082 122.820 0.163 0.000 2.584 459 A HA 0.257 4.577 4.320 -0.001 0.000 0.239 459 A C 0.586 178.193 177.584 0.039 0.000 1.043 459 A CA 0.064 52.158 52.037 0.095 0.000 0.756 459 A CB -0.295 18.731 19.000 0.043 0.000 0.963 459 A HN 0.556 nan 8.150 nan 0.000 0.511 460 R N 1.239 121.734 120.500 -0.008 0.000 2.564 460 R HA 0.548 4.888 4.340 -0.001 0.000 0.284 460 R C -1.706 174.539 176.300 -0.092 0.000 1.031 460 R CA -0.778 55.257 56.100 -0.109 0.000 0.904 460 R CB 1.009 31.134 30.300 -0.292 0.000 1.199 460 R HN 0.343 nan 8.270 nan 0.000 0.443 461 V N 4.437 124.311 119.914 -0.067 0.000 2.479 461 V HA 0.003 4.123 4.120 -0.001 0.000 0.281 461 V C 0.706 176.758 176.094 -0.070 0.000 1.031 461 V CA -0.027 62.246 62.300 -0.044 0.000 1.038 461 V CB 0.283 32.084 31.823 -0.035 0.000 0.981 461 V HN 1.011 nan 8.190 nan 0.000 0.478 462 D N 4.293 124.664 120.400 -0.049 0.000 2.041 462 D HA -0.049 4.590 4.640 -0.001 0.000 0.263 462 D C 1.240 177.511 176.300 -0.048 0.000 1.038 462 D CA 0.731 54.696 54.000 -0.058 0.000 0.903 462 D CB 0.216 41.006 40.800 -0.018 0.000 1.013 462 D HN 0.443 nan 8.370 nan 0.000 0.408 463 E N -1.199 118.979 120.200 -0.036 0.000 2.306 463 E HA 0.206 4.555 4.350 -0.001 0.000 0.201 463 E C -0.074 176.485 176.600 -0.068 0.000 0.874 463 E CA -0.129 56.247 56.400 -0.039 0.000 0.972 463 E CB 0.780 30.466 29.700 -0.024 0.000 0.957 463 E HN 0.146 nan 8.360 nan 0.000 0.492 464 L N 0.495 121.648 121.223 -0.117 0.000 2.415 464 L HA 0.435 4.775 4.340 -0.001 0.000 0.268 464 L C 0.490 177.075 176.870 -0.475 0.000 0.984 464 L CA -0.202 54.489 54.840 -0.247 0.000 0.853 464 L CB 1.184 43.080 42.059 -0.271 0.000 1.215 464 L HN 0.217 nan 8.230 nan 0.000 0.419 465 G N 3.803 112.415 108.800 -0.315 0.000 2.426 465 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.327 465 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.327 465 G C -0.013 174.737 174.900 -0.250 0.000 0.809 465 G CA 0.771 45.717 45.100 -0.257 0.000 0.830 465 G HN 0.353 nan 8.290 nan 0.000 0.500 466 F N -0.046 119.906 119.950 0.004 0.000 2.332 466 F HA 0.439 4.966 4.527 -0.000 0.000 0.368 466 F C 0.977 176.779 175.800 0.003 0.000 1.110 466 F CA -2.275 55.728 58.000 0.006 0.000 1.087 466 F CB 0.799 39.774 39.000 -0.041 0.000 1.235 466 F HN -0.023 nan 8.300 nan 0.000 0.470 467 I N 4.888 125.581 120.570 0.205 0.000 2.769 467 I HA 0.001 4.171 4.170 -0.001 0.000 0.285 467 I C 0.762 176.944 176.117 0.109 0.000 1.173 467 I CA 0.491 61.860 61.300 0.115 0.000 1.389 467 I CB 0.017 38.071 38.000 0.089 0.000 1.404 467 I HN 0.551 nan 8.210 nan 0.000 0.544 468 R N 3.765 124.313 120.500 0.081 0.000 2.606 468 R HA 0.723 5.062 4.340 -0.001 0.000 0.249 468 R C -0.235 176.106 176.300 0.069 0.000 1.127 468 R CA -0.635 55.510 56.100 0.073 0.000 1.133 468 R CB 1.657 32.014 30.300 0.094 0.000 1.243 468 R HN 0.511 nan 8.270 nan 0.000 0.558 469 T N 1.311 115.854 114.554 -0.018 0.000 2.889 469 T HA 0.366 4.716 4.350 -0.001 0.000 0.315 469 T C -2.802 171.589 174.700 -0.515 0.000 1.291 469 T CA -1.453 60.538 62.100 -0.182 0.000 1.028 469 T CB 1.841 70.465 68.868 -0.406 0.000 1.235 469 T HN 0.371 nan 8.240 nan 0.000 0.491 470 P HA 0.349 nan 4.420 nan 0.000 0.275 470 P C -1.529 175.302 177.300 -0.782 0.000 1.228 470 P CA -0.151 62.382 63.100 -0.945 0.000 0.786 470 P CB 0.562 31.635 31.700 -1.046 0.000 0.927 471 Y N 0.754 120.793 120.300 -0.434 0.000 2.358 471 Y HA 0.270 4.820 4.550 -0.000 0.000 0.324 471 Y C 0.730 176.543 175.900 -0.145 0.000 1.123 471 Y CA -1.148 56.764 58.100 -0.314 0.000 1.067 471 Y CB 2.297 40.488 38.460 -0.448 0.000 1.230 471 Y HN 0.184 nan 8.280 nan 0.000 0.429 472 R N 1.795 122.372 120.500 0.128 0.000 2.490 472 R HA 0.477 4.816 4.340 -0.001 0.000 0.278 472 R C -0.306 176.166 176.300 0.288 0.000 1.069 472 R CA -1.032 55.148 56.100 0.133 0.000 1.080 472 R CB 1.114 31.430 30.300 0.027 0.000 1.030 472 R HN 0.510 nan 8.270 nan 0.000 0.491 473 R N 1.061 121.666 120.500 0.175 0.000 2.539 473 R HA 0.219 4.558 4.340 -0.001 0.000 0.275 473 R C -0.908 175.276 176.300 -0.195 0.000 1.077 473 R CA -0.201 55.804 56.100 -0.158 0.000 1.097 473 R CB 0.994 31.213 30.300 -0.135 0.000 1.018 473 R HN 0.475 nan 8.270 nan 0.000 0.483 474 V N 5.751 125.459 119.914 -0.344 0.000 2.637 474 V HA 0.323 4.443 4.120 -0.001 0.000 0.274 474 V C -1.479 174.482 176.094 -0.221 0.000 1.004 474 V CA -0.691 61.485 62.300 -0.207 0.000 0.894 474 V CB 1.738 33.483 31.823 -0.130 0.000 1.046 474 V HN 0.567 nan 8.190 nan 0.000 0.467 475 V N 7.943 127.754 119.914 -0.170 0.000 2.408 475 V HA 0.777 4.897 4.120 -0.001 0.000 0.267 475 V C 1.384 177.426 176.094 -0.087 0.000 1.047 475 V CA 1.146 63.367 62.300 -0.132 0.000 0.937 475 V CB 0.218 31.980 31.823 -0.103 0.000 0.999 475 V HN 1.631 nan 8.190 nan 0.000 0.472 476 G N 4.997 113.752 108.800 -0.075 0.000 2.601 476 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.252 476 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.252 476 G C 0.728 175.598 174.900 -0.051 0.000 1.294 476 G CA -0.164 44.905 45.100 -0.052 0.000 0.912 476 G HN 1.472 nan 8.290 nan 0.000 0.574 477 G N -0.899 107.878 108.800 -0.038 0.000 3.340 477 G HA2 0.477 4.436 3.960 -0.001 0.000 0.240 477 G HA3 0.477 4.436 3.960 -0.001 0.000 0.240 477 G C 0.037 174.916 174.900 -0.035 0.000 1.327 477 G CA 0.945 46.025 45.100 -0.033 0.000 1.170 477 G HN 1.222 nan 8.290 nan 0.000 0.520 478 V N 1.108 120.995 119.914 -0.045 0.000 2.444 478 V HA 0.342 4.462 4.120 -0.001 0.000 0.294 478 V C 0.138 176.199 176.094 -0.054 0.000 1.022 478 V CA -0.953 61.322 62.300 -0.043 0.000 0.850 478 V CB 1.869 33.669 31.823 -0.039 0.000 0.992 478 V HN 0.213 nan 8.190 nan 0.000 0.426 479 V N 2.425 122.314 119.914 -0.043 0.000 2.509 479 V HA 0.720 4.840 4.120 -0.001 0.000 0.284 479 V C 0.250 176.321 176.094 -0.037 0.000 1.047 479 V CA -0.111 62.163 62.300 -0.044 0.000 0.952 479 V CB 1.080 32.886 31.823 -0.029 0.000 0.988 479 V HN 0.802 nan 8.190 nan 0.000 0.469 480 T N 2.725 117.255 114.554 -0.040 0.000 2.936 480 T HA 0.420 4.770 4.350 -0.001 0.000 0.282 480 T C -0.072 174.617 174.700 -0.019 0.000 1.003 480 T CA -0.264 61.819 62.100 -0.029 0.000 1.005 480 T CB 1.456 70.304 68.868 -0.033 0.000 1.097 480 T HN 0.797 nan 8.240 nan 0.000 0.532 481 D N 0.142 120.533 120.400 -0.014 0.000 2.368 481 D HA 0.138 4.778 4.640 -0.001 0.000 0.218 481 D C 0.307 176.602 176.300 -0.009 0.000 1.112 481 D CA 0.017 54.010 54.000 -0.012 0.000 0.834 481 D CB 0.364 41.159 40.800 -0.008 0.000 0.953 481 D HN 0.427 nan 8.370 nan 0.000 0.505 482 E N 0.578 120.776 120.200 -0.004 0.000 2.266 482 E HA 0.399 4.749 4.350 -0.001 0.000 0.277 482 E C -0.915 175.693 176.600 0.013 0.000 1.018 482 E CA -0.421 55.983 56.400 0.008 0.000 0.840 482 E CB 1.493 31.201 29.700 0.014 0.000 1.082 482 E HN -0.163 nan 8.360 nan 0.000 0.395 483 V N 3.296 123.210 119.914 -0.000 0.000 2.876 483 V HA 0.379 4.499 4.120 -0.001 0.000 0.312 483 V C -0.704 175.365 176.094 -0.043 0.000 1.085 483 V CA -0.857 61.413 62.300 -0.050 0.000 0.945 483 V CB 2.184 33.910 31.823 -0.161 0.000 1.017 483 V HN 0.424 nan 8.190 nan 0.000 0.428 484 V N 3.356 123.218 119.914 -0.087 0.000 2.409 484 V HA 0.377 4.496 4.120 -0.001 0.000 0.290 484 V C -1.089 174.907 176.094 -0.163 0.000 1.017 484 V CA -0.755 61.502 62.300 -0.072 0.000 0.841 484 V CB 1.401 33.185 31.823 -0.065 0.000 1.003 484 V HN 0.763 nan 8.190 nan 0.000 0.426 485 Y N 4.936 125.180 120.300 -0.093 0.000 2.637 485 Y HA 0.312 4.862 4.550 -0.001 0.000 0.350 485 Y C 0.542 176.370 175.900 -0.121 0.000 1.069 485 Y CA 0.392 58.418 58.100 -0.123 0.000 1.397 485 Y CB 0.586 39.000 38.460 -0.076 0.000 1.163 485 Y HN 0.564 nan 8.280 nan 0.000 0.527 486 M N 2.034 121.608 119.600 -0.044 0.000 2.318 486 M HA 0.256 4.736 4.480 -0.001 0.000 0.347 486 M C 0.312 176.613 176.300 0.001 0.000 1.175 486 M CA -0.077 55.196 55.300 -0.045 0.000 1.075 486 M CB 1.115 33.669 32.600 -0.077 0.000 1.614 486 M HN 0.484 nan 8.290 nan 0.000 0.456 487 T N 2.088 116.645 114.554 0.006 0.000 2.860 487 T HA 0.201 4.551 4.350 -0.001 0.000 0.299 487 T C 1.180 175.892 174.700 0.020 0.000 1.045 487 T CA 0.222 62.320 62.100 -0.004 0.000 1.071 487 T CB 1.130 69.948 68.868 -0.083 0.000 0.985 487 T HN 0.804 nan 8.240 nan 0.000 0.537 488 A N 2.038 124.870 122.820 0.020 0.000 1.948 488 A HA -0.149 4.171 4.320 -0.001 0.000 0.220 488 A C 2.486 180.139 177.584 0.115 0.000 1.177 488 A CA 2.400 54.487 52.037 0.083 0.000 0.636 488 A CB -1.356 17.702 19.000 0.097 0.000 0.815 488 A HN 0.948 nan 8.150 nan 0.000 0.449 489 T N -1.793 112.792 114.554 0.051 0.000 2.812 489 T HA -0.113 4.237 4.350 -0.001 0.000 0.264 489 T C 1.586 176.350 174.700 0.106 0.000 1.042 489 T CA 1.304 63.459 62.100 0.091 0.000 1.140 489 T CB -0.500 68.408 68.868 0.067 0.000 0.870 489 T HN 0.636 nan 8.240 nan 0.000 0.445 490 E N 1.437 121.692 120.200 0.092 0.000 2.153 490 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 490 E C 2.235 178.969 176.600 0.224 0.000 0.988 490 E CA 1.352 57.844 56.400 0.153 0.000 0.811 490 E CB -0.270 29.496 29.700 0.111 0.000 0.746 490 E HN 0.810 nan 8.360 nan 0.000 0.466 491 E N 1.685 121.985 120.200 0.167 0.000 2.171 491 E HA -0.248 4.101 4.350 -0.001 0.000 0.197 491 E C 1.048 177.762 176.600 0.189 0.000 0.997 491 E CA 1.744 58.248 56.400 0.174 0.000 0.810 491 E CB 0.009 29.851 29.700 0.236 0.000 0.738 491 E HN 0.202 nan 8.360 nan 0.000 0.467 492 D N -0.081 120.424 120.400 0.176 0.000 2.144 492 D HA -0.133 4.507 4.640 -0.001 0.000 0.199 492 D C 1.864 178.219 176.300 0.093 0.000 0.984 492 D CA 1.303 55.383 54.000 0.134 0.000 0.834 492 D CB -0.010 40.867 40.800 0.128 0.000 0.955 492 D HN 0.221 nan 8.370 nan 0.000 0.465 493 R N -0.694 119.860 120.500 0.090 0.000 2.241 493 R HA -0.043 4.297 4.340 -0.001 0.000 0.224 493 R C 0.047 176.193 176.300 -0.258 0.000 1.101 493 R CA 0.695 56.731 56.100 -0.106 0.000 0.995 493 R CB -0.201 29.970 30.300 -0.216 0.000 0.870 493 R HN 0.272 nan 8.270 nan 0.000 0.463 494 Y N -0.726 119.595 120.300 0.036 0.000 2.621 494 Y HA 0.304 4.853 4.550 -0.000 0.000 0.334 494 Y C 0.372 176.281 175.900 0.015 0.000 1.074 494 Y CA -1.415 56.721 58.100 0.060 0.000 1.149 494 Y CB 1.355 39.916 38.460 0.167 0.000 1.302 494 Y HN -0.303 nan 8.280 nan 0.000 0.501 495 T N 3.122 117.798 114.554 0.202 0.000 3.016 495 T HA 0.449 4.798 4.350 -0.001 0.000 0.335 495 T C -0.455 174.290 174.700 0.075 0.000 1.176 495 T CA -0.274 61.880 62.100 0.091 0.000 0.987 495 T CB -0.918 67.981 68.868 0.052 0.000 1.073 495 T HN 0.178 nan 8.240 nan 0.000 0.547 496 I N 2.823 123.395 120.570 0.003 0.000 2.440 496 I HA 0.625 4.795 4.170 -0.001 0.000 0.294 496 I C 0.570 176.665 176.117 -0.037 0.000 0.995 496 I CA -0.417 60.834 61.300 -0.082 0.000 1.306 496 I CB 1.156 38.945 38.000 -0.352 0.000 1.407 496 I HN 0.600 nan 8.210 nan 0.000 0.501 497 A N 4.782 127.587 122.820 -0.024 0.000 2.322 497 A HA 0.699 5.019 4.320 -0.001 0.000 0.327 497 A C -0.428 177.163 177.584 0.013 0.000 1.134 497 A CA -0.668 51.367 52.037 -0.003 0.000 0.831 497 A CB 1.021 20.017 19.000 -0.006 0.000 1.288 497 A HN 0.575 nan 8.150 nan 0.000 0.472 498 Q N -0.396 119.411 119.800 0.011 0.000 2.317 498 Q HA 0.413 4.753 4.340 -0.001 0.000 0.229 498 Q C 1.224 177.222 176.000 -0.003 0.000 0.984 498 Q CA 0.449 56.258 55.803 0.011 0.000 0.911 498 Q CB 1.467 30.196 28.738 -0.015 0.000 1.217 498 Q HN 0.826 nan 8.270 nan 0.000 0.501 499 A N 2.462 125.277 122.820 -0.009 0.000 2.016 499 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 499 A C 1.274 178.854 177.584 -0.007 0.000 1.162 499 A CA 1.352 53.382 52.037 -0.011 0.000 0.662 499 A CB -0.510 18.479 19.000 -0.018 0.000 0.812 499 A HN 0.888 nan 8.150 nan 0.000 0.450 500 N N 0.914 119.607 118.700 -0.013 0.000 2.588 500 N HA -0.071 4.669 4.740 -0.001 0.000 0.190 500 N C 0.292 175.800 175.510 -0.004 0.000 1.094 500 N CA 0.792 53.838 53.050 -0.008 0.000 0.921 500 N CB -0.584 37.885 38.487 -0.029 0.000 0.959 500 N HN 0.561 nan 8.380 nan 0.000 0.448 501 T N 0.309 114.859 114.554 -0.007 0.000 2.829 501 T HA 0.123 4.473 4.350 -0.001 0.000 0.293 501 T C -2.459 172.241 174.700 0.000 0.000 0.970 501 T CA -1.590 60.507 62.100 -0.005 0.000 1.168 501 T CB 0.589 69.452 68.868 -0.008 0.000 0.911 501 T HN -0.096 nan 8.240 nan 0.000 0.535 502 P HA 0.303 nan 4.420 nan 0.000 0.262 502 P C -0.749 176.553 177.300 0.003 0.000 1.182 502 P CA -0.070 63.034 63.100 0.006 0.000 0.761 502 P CB 0.310 32.015 31.700 0.008 0.000 0.795 503 L N 3.031 124.257 121.223 0.005 0.000 2.431 503 L HA 0.265 4.604 4.340 -0.001 0.000 0.266 503 L C 0.938 177.810 176.870 0.004 0.000 0.978 503 L CA -0.200 54.641 54.840 0.001 0.000 0.822 503 L CB 2.343 44.401 42.059 -0.002 0.000 1.310 503 L HN 0.316 nan 8.230 nan 0.000 0.409 504 E N 1.590 121.791 120.200 0.001 0.000 2.474 504 E HA 0.263 4.613 4.350 -0.001 0.000 0.195 504 E C 0.851 177.452 176.600 0.001 0.000 1.039 504 E CA 0.589 56.991 56.400 0.002 0.000 0.881 504 E CB 0.871 30.572 29.700 0.001 0.000 0.970 504 E HN 0.922 nan 8.360 nan 0.000 0.486 505 G N 1.357 110.155 108.800 -0.002 0.000 3.154 505 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.114 505 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.114 505 G C 0.478 175.373 174.900 -0.008 0.000 2.421 505 G CA -0.333 44.765 45.100 -0.003 0.000 1.271 505 G HN 0.090 nan 8.290 nan 0.000 0.371 506 N N 0.056 118.749 118.700 -0.011 0.000 2.159 506 N HA 0.326 5.065 4.740 -0.001 0.000 0.217 506 N C 0.291 175.790 175.510 -0.018 0.000 1.223 506 N CA -0.099 52.942 53.050 -0.016 0.000 0.896 506 N CB 1.171 39.647 38.487 -0.018 0.000 1.064 506 N HN 0.341 nan 8.380 nan 0.000 0.518 507 R N 1.296 121.788 120.500 -0.014 0.000 2.338 507 R HA 0.351 4.691 4.340 -0.001 0.000 0.317 507 R C -0.180 176.112 176.300 -0.012 0.000 0.968 507 R CA -0.522 55.570 56.100 -0.014 0.000 0.849 507 R CB 0.488 30.782 30.300 -0.010 0.000 1.128 507 R HN -0.084 nan 8.270 nan 0.000 0.448 508 I N 3.085 123.646 120.570 -0.015 0.000 2.948 508 I HA -0.009 4.160 4.170 -0.001 0.000 0.290 508 I C 1.000 177.112 176.117 -0.008 0.000 1.226 508 I CA 0.573 61.866 61.300 -0.013 0.000 1.413 508 I CB 0.806 38.797 38.000 -0.016 0.000 1.352 508 I HN 0.869 nan 8.210 nan 0.000 0.597 509 A N 3.683 126.499 122.820 -0.005 0.000 2.419 509 A HA 0.631 4.951 4.320 -0.001 0.000 0.233 509 A C 0.671 178.254 177.584 -0.002 0.000 1.217 509 A CA 0.298 52.333 52.037 -0.003 0.000 0.944 509 A CB 0.267 19.267 19.000 0.001 0.000 1.025 509 A HN 0.770 nan 8.150 nan 0.000 0.524 510 A N -0.295 122.523 122.820 -0.004 0.000 2.374 510 A HA 0.595 4.915 4.320 -0.001 0.000 0.305 510 A C 0.505 178.086 177.584 -0.006 0.000 1.053 510 A CA 0.098 52.133 52.037 -0.004 0.000 0.726 510 A CB 0.932 19.931 19.000 -0.002 0.000 1.229 510 A HN 0.267 nan 8.150 nan 0.000 0.431 511 E N 1.878 122.075 120.200 -0.005 0.000 2.035 511 E HA -0.179 4.171 4.350 -0.001 0.000 0.204 511 E C 0.512 177.108 176.600 -0.008 0.000 1.025 511 E CA 1.227 57.623 56.400 -0.007 0.000 0.835 511 E CB -0.004 29.693 29.700 -0.006 0.000 0.764 511 E HN 0.615 nan 8.360 nan 0.000 0.457 512 R N 0.903 121.399 120.500 -0.007 0.000 2.593 512 R HA 0.222 4.561 4.340 -0.001 0.000 0.282 512 R C -1.281 175.014 176.300 -0.009 0.000 1.300 512 R CA -0.334 55.761 56.100 -0.008 0.000 1.221 512 R CB 0.879 31.175 30.300 -0.007 0.000 1.157 512 R HN 0.018 nan 8.270 nan 0.000 0.555 513 V N 3.781 123.689 119.914 -0.010 0.000 2.628 513 V HA 0.221 4.341 4.120 -0.001 0.000 0.306 513 V C 0.358 176.444 176.094 -0.013 0.000 1.045 513 V CA -0.948 61.346 62.300 -0.011 0.000 0.905 513 V CB 2.226 34.043 31.823 -0.010 0.000 0.997 513 V HN 0.435 nan 8.190 nan 0.000 0.436 514 V N 2.252 122.157 119.914 -0.016 0.000 2.872 514 V HA 0.824 4.944 4.120 -0.001 0.000 0.307 514 V C 0.199 176.284 176.094 -0.015 0.000 1.072 514 V CA 0.269 62.558 62.300 -0.019 0.000 1.148 514 V CB 0.506 32.312 31.823 -0.027 0.000 0.954 514 V HN 1.442 nan 8.190 nan 0.000 0.490 515 A N 4.108 126.919 122.820 -0.015 0.000 2.608 515 A HA 0.866 5.186 4.320 -0.001 0.000 0.292 515 A C -0.866 176.710 177.584 -0.013 0.000 1.066 515 A CA -1.114 50.917 52.037 -0.010 0.000 0.676 515 A CB 1.769 20.765 19.000 -0.007 0.000 1.277 515 A HN 0.837 nan 8.150 nan 0.000 0.413 516 R N 1.248 121.743 120.500 -0.007 0.000 2.468 516 R HA 0.393 4.733 4.340 -0.001 0.000 0.302 516 R C 0.531 176.830 176.300 -0.002 0.000 1.041 516 R CA -0.671 55.420 56.100 -0.015 0.000 0.899 516 R CB 1.347 31.629 30.300 -0.031 0.000 1.167 516 R HN 0.925 nan 8.270 nan 0.000 0.483 517 R N 2.303 122.803 120.500 -0.001 0.000 2.177 517 R HA -0.080 4.259 4.340 -0.001 0.000 0.221 517 R C -0.177 176.138 176.300 0.024 0.000 1.110 517 R CA 1.751 57.858 56.100 0.012 0.000 0.875 517 R CB 0.271 30.573 30.300 0.003 0.000 0.810 517 R HN 0.332 nan 8.270 nan 0.000 0.437 518 K N -0.981 119.430 120.400 0.018 0.000 2.664 518 K HA 0.216 4.536 4.320 -0.001 0.000 0.234 518 K C -0.499 176.102 176.600 0.001 0.000 0.980 518 K CA 0.259 56.566 56.287 0.033 0.000 0.996 518 K CB 1.859 34.391 32.500 0.054 0.000 1.190 518 K HN 0.642 nan 8.250 nan 0.000 0.479 519 G N 2.237 111.018 108.800 -0.032 0.000 2.256 519 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.279 519 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.279 519 G C -0.118 174.731 174.900 -0.085 0.000 0.998 519 G CA 0.691 45.734 45.100 -0.096 0.000 0.720 519 G HN 0.554 nan 8.290 nan 0.000 0.521 520 E N 0.340 120.506 120.200 -0.056 0.000 2.185 520 E HA 0.334 4.683 4.350 -0.001 0.000 0.261 520 E C -2.669 173.902 176.600 -0.048 0.000 0.879 520 E CA -2.041 54.330 56.400 -0.048 0.000 0.756 520 E CB 2.085 31.768 29.700 -0.028 0.000 1.152 520 E HN 0.083 nan 8.360 nan 0.000 0.416 521 P HA 0.042 nan 4.420 nan 0.000 0.264 521 P C -0.670 176.610 177.300 -0.034 0.000 1.193 521 P CA -0.029 63.041 63.100 -0.050 0.000 0.763 521 P CB 0.560 32.228 31.700 -0.054 0.000 0.810 522 V N 4.822 124.719 119.914 -0.028 0.000 2.808 522 V HA 0.298 4.418 4.120 -0.001 0.000 0.308 522 V C -0.045 176.038 176.094 -0.018 0.000 1.099 522 V CA -0.703 61.585 62.300 -0.021 0.000 0.920 522 V CB 2.408 34.221 31.823 -0.016 0.000 1.014 522 V HN 0.459 nan 8.190 nan 0.000 0.425 523 I N 5.057 125.617 120.570 -0.016 0.000 2.294 523 I HA 0.427 4.596 4.170 -0.001 0.000 0.295 523 I C -0.336 175.774 176.117 -0.012 0.000 1.098 523 I CA 0.245 61.537 61.300 -0.014 0.000 1.277 523 I CB 0.366 38.358 38.000 -0.013 0.000 1.434 523 I HN 0.434 nan 8.210 nan 0.000 0.498 524 V N 5.815 125.723 119.914 -0.011 0.000 3.096 524 V HA 0.469 4.588 4.120 -0.001 0.000 0.319 524 V C 0.364 176.452 176.094 -0.010 0.000 1.082 524 V CA -0.518 61.776 62.300 -0.010 0.000 1.022 524 V CB 1.916 33.734 31.823 -0.008 0.000 1.103 524 V HN 0.793 nan 8.190 nan 0.000 0.455 525 S N 1.818 117.511 115.700 -0.011 0.000 2.616 525 S HA 0.393 4.863 4.470 -0.001 0.000 0.277 525 S C -1.955 172.637 174.600 -0.014 0.000 1.234 525 S CA -1.232 56.961 58.200 -0.011 0.000 1.028 525 S CB 1.413 64.606 63.200 -0.011 0.000 0.988 525 S HN 0.511 nan 8.310 nan 0.000 0.522 526 P HA -0.079 nan 4.420 nan 0.000 0.220 526 P C 0.621 177.907 177.300 -0.022 0.000 1.144 526 P CA 1.191 64.281 63.100 -0.018 0.000 0.800 526 P CB -0.012 31.679 31.700 -0.016 0.000 0.772 527 E N -0.605 119.583 120.200 -0.020 0.000 2.299 527 E HA -0.083 4.267 4.350 -0.001 0.000 0.193 527 E C 1.521 178.107 176.600 -0.023 0.000 0.998 527 E CA 0.658 57.045 56.400 -0.022 0.000 0.851 527 E CB -0.206 29.484 29.700 -0.018 0.000 0.795 527 E HN 0.431 nan 8.360 nan 0.000 0.492 528 E N 0.418 120.607 120.200 -0.018 0.000 2.452 528 E HA 0.036 4.386 4.350 -0.001 0.000 0.197 528 E C -0.139 176.454 176.600 -0.011 0.000 1.022 528 E CA -0.085 56.306 56.400 -0.014 0.000 0.890 528 E CB 0.782 30.476 29.700 -0.010 0.000 0.918 528 E HN -0.028 nan 8.360 nan 0.000 0.496 529 V N 3.139 123.042 119.914 -0.019 0.000 2.399 529 V HA -0.087 4.032 4.120 -0.001 0.000 0.245 529 V C 0.895 176.961 176.094 -0.045 0.000 1.089 529 V CA 0.910 63.198 62.300 -0.021 0.000 1.196 529 V CB -0.412 31.395 31.823 -0.027 0.000 1.221 529 V HN 0.224 nan 8.190 nan 0.000 0.482 530 E N 2.671 122.859 120.200 -0.019 0.000 2.122 530 E HA 0.122 4.472 4.350 -0.001 0.000 0.190 530 E C -0.124 176.281 176.600 -0.325 0.000 0.977 530 E CA 0.924 57.266 56.400 -0.096 0.000 0.820 530 E CB 0.259 30.030 29.700 0.118 0.000 0.770 530 E HN 0.585 nan 8.360 nan 0.000 0.462 531 F N -0.498 119.407 119.950 -0.075 0.000 2.599 531 F HA 0.465 4.991 4.527 -0.001 0.000 0.311 531 F C -0.473 175.226 175.800 -0.168 0.000 1.076 531 F CA -0.923 56.979 58.000 -0.163 0.000 0.937 531 F CB 1.930 40.744 39.000 -0.311 0.000 1.282 531 F HN -0.200 nan 8.300 nan 0.000 0.460 532 M N 1.701 121.374 119.600 0.123 0.000 2.530 532 M HA 0.438 4.918 4.480 -0.001 0.000 0.307 532 M C -1.496 174.854 176.300 0.083 0.000 1.161 532 M CA -0.672 54.655 55.300 0.045 0.000 0.903 532 M CB 1.930 34.543 32.600 0.021 0.000 1.711 532 M HN 0.583 nan 8.290 nan 0.000 0.451 533 D N 1.558 121.999 120.400 0.069 0.000 2.399 533 D HA 0.114 4.754 4.640 -0.001 0.000 0.241 533 D C 0.926 177.205 176.300 -0.034 0.000 1.133 533 D CA 0.035 54.085 54.000 0.083 0.000 0.890 533 D CB 1.420 42.239 40.800 0.032 0.000 1.201 533 D HN 0.351 nan 8.370 nan 0.000 0.432 534 V N 1.085 120.907 119.914 -0.154 0.000 2.239 534 V HA -0.040 4.079 4.120 -0.001 0.000 0.242 534 V C 0.917 176.882 176.094 -0.215 0.000 1.038 534 V CA 1.501 63.649 62.300 -0.253 0.000 1.002 534 V CB -0.219 31.293 31.823 -0.517 0.000 0.641 534 V HN 0.630 nan 8.190 nan 0.000 0.449 535 S N -2.024 113.523 115.700 -0.255 0.000 2.537 535 S HA 0.423 4.892 4.470 -0.001 0.000 0.270 535 S C -2.574 171.961 174.600 -0.108 0.000 1.142 535 S CA -0.908 57.208 58.200 -0.140 0.000 0.870 535 S CB 1.878 65.015 63.200 -0.105 0.000 1.112 535 S HN 0.043 nan 8.310 nan 0.000 0.466 536 P HA -0.042 nan 4.420 nan 0.000 0.220 536 P C 0.935 178.193 177.300 -0.071 0.000 1.144 536 P CA 0.980 64.095 63.100 0.023 0.000 0.800 536 P CB 0.121 31.960 31.700 0.231 0.000 0.772 537 K N 0.491 120.883 120.400 -0.012 0.000 2.001 537 K HA -0.237 4.082 4.320 -0.001 0.000 0.214 537 K C 2.256 178.849 176.600 -0.012 0.000 1.050 537 K CA 1.913 58.219 56.287 0.031 0.000 0.934 537 K CB -0.935 31.668 32.500 0.172 0.000 0.718 537 K HN 0.288 nan 8.250 nan 0.000 0.443 538 Q N 0.429 120.230 119.800 0.000 0.000 2.290 538 Q HA -0.212 4.128 4.340 -0.001 0.000 0.211 538 Q C 1.621 177.538 176.000 -0.138 0.000 0.991 538 Q CA 1.967 57.757 55.803 -0.020 0.000 0.893 538 Q CB -0.562 28.012 28.738 -0.274 0.000 0.913 538 Q HN 0.142 nan 8.270 nan 0.000 0.428 539 V N 0.082 119.826 119.914 -0.283 0.000 2.594 539 V HA -0.083 4.037 4.120 -0.001 0.000 0.253 539 V C 1.144 177.174 176.094 -0.106 0.000 1.069 539 V CA 1.416 63.546 62.300 -0.283 0.000 1.082 539 V CB -0.702 30.846 31.823 -0.459 0.000 0.680 539 V HN 0.278 nan 8.190 nan 0.000 0.469 540 F N -1.598 118.418 119.950 0.111 0.000 2.661 540 F HA 0.569 5.096 4.527 -0.001 0.000 0.347 540 F C 0.705 176.531 175.800 0.043 0.000 1.086 540 F CA -0.802 57.241 58.000 0.072 0.000 1.016 540 F CB 1.256 40.279 39.000 0.038 0.000 1.368 540 F HN -0.203 nan 8.300 nan 0.000 0.505 541 S N -0.391 115.463 115.700 0.256 0.000 2.681 541 S HA 0.268 4.737 4.470 -0.001 0.000 0.270 541 S C 0.867 175.519 174.600 0.087 0.000 1.209 541 S CA -0.648 57.623 58.200 0.118 0.000 0.988 541 S CB 1.260 64.502 63.200 0.070 0.000 1.006 541 S HN 0.414 nan 8.310 nan 0.000 0.558 542 V N 2.721 122.655 119.914 0.032 0.000 2.261 542 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 542 V C 2.544 178.644 176.094 0.009 0.000 1.047 542 V CA 2.444 64.749 62.300 0.007 0.000 1.015 542 V CB -1.577 30.236 31.823 -0.017 0.000 0.642 542 V HN 0.970 nan 8.190 nan 0.000 0.446 543 N N -0.289 118.416 118.700 0.008 0.000 2.060 543 N HA -0.234 4.505 4.740 -0.001 0.000 0.195 543 N C 1.766 177.267 175.510 -0.016 0.000 1.028 543 N CA 2.050 55.100 53.050 0.000 0.000 0.861 543 N CB -0.038 38.451 38.487 0.003 0.000 1.029 543 N HN 0.514 nan 8.380 nan 0.000 0.428 544 T N 0.350 114.894 114.554 -0.017 0.000 2.896 544 T HA -0.005 4.345 4.350 -0.001 0.000 0.263 544 T C 1.532 176.199 174.700 -0.054 0.000 1.050 544 T CA 0.249 62.304 62.100 -0.075 0.000 1.140 544 T CB -0.272 68.505 68.868 -0.153 0.000 0.877 544 T HN 0.256 nan 8.240 nan 0.000 0.457 545 N N 1.306 120.026 118.700 0.033 0.000 2.417 545 N HA -0.035 4.704 4.740 -0.001 0.000 0.187 545 N C 1.346 176.839 175.510 -0.028 0.000 1.027 545 N CA 0.680 53.760 53.050 0.050 0.000 0.891 545 N CB -0.276 38.248 38.487 0.061 0.000 0.956 545 N HN 0.404 nan 8.380 nan 0.000 0.442 546 L N 0.241 121.434 121.223 -0.050 0.000 2.610 546 L HA 0.132 4.471 4.340 -0.001 0.000 0.232 546 L C 0.458 177.257 176.870 -0.118 0.000 1.149 546 L CA 0.179 54.974 54.840 -0.075 0.000 0.872 546 L CB 0.066 42.096 42.059 -0.048 0.000 0.992 546 L HN 0.013 nan 8.230 nan 0.000 0.447 547 I N 0.450 120.933 120.570 -0.144 0.000 2.337 547 I HA 0.096 4.266 4.170 -0.001 0.000 0.291 547 I C -1.301 174.698 176.117 -0.197 0.000 1.046 547 I CA -1.781 59.395 61.300 -0.206 0.000 1.324 547 I CB 0.915 38.777 38.000 -0.229 0.000 1.409 547 I HN -0.149 nan 8.210 nan 0.000 0.494 548 P HA -0.215 nan 4.420 nan 0.000 0.207 548 P C 0.240 177.327 177.300 -0.355 0.000 1.115 548 P CA 1.820 64.759 63.100 -0.269 0.000 0.956 548 P CB 0.109 31.742 31.700 -0.111 0.000 0.774 549 F N -1.750 118.238 119.950 0.063 0.000 2.578 549 F HA 0.207 4.734 4.527 -0.001 0.000 0.314 549 F C 1.344 177.118 175.800 -0.043 0.000 1.225 549 F CA -0.420 57.585 58.000 0.009 0.000 1.215 549 F CB -0.503 38.589 39.000 0.153 0.000 1.448 549 F HN -0.165 nan 8.300 nan 0.000 0.548 550 L N 1.509 122.707 121.223 -0.042 0.000 2.263 550 L HA -0.216 4.123 4.340 -0.001 0.000 0.216 550 L C 2.569 179.364 176.870 -0.125 0.000 1.111 550 L CA 1.817 56.579 54.840 -0.131 0.000 0.773 550 L CB -0.530 41.336 42.059 -0.321 0.000 0.906 550 L HN 0.524 nan 8.230 nan 0.000 0.439 551 E N -1.923 118.180 120.200 -0.161 0.000 2.204 551 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 551 E C 0.793 177.397 176.600 0.006 0.000 0.990 551 E CA 1.406 57.810 56.400 0.007 0.000 0.821 551 E CB -0.557 29.183 29.700 0.066 0.000 0.750 551 E HN 0.628 nan 8.360 nan 0.000 0.477 552 H N 0.474 119.638 119.070 0.157 0.000 2.519 552 H HA 0.322 4.878 4.556 -0.001 0.000 0.289 552 H C -0.598 174.766 175.328 0.060 0.000 1.040 552 H CA -0.109 55.991 56.048 0.087 0.000 1.165 552 H CB 0.223 29.998 29.762 0.021 0.000 1.462 552 H HN 0.115 nan 8.280 nan 0.000 0.555 553 D N 1.024 121.516 120.400 0.153 0.000 2.505 553 D HA 0.035 4.675 4.640 -0.001 0.000 0.249 553 D C -0.072 176.268 176.300 0.068 0.000 1.082 553 D CA -0.566 53.499 54.000 0.108 0.000 0.839 553 D CB 1.824 42.704 40.800 0.134 0.000 1.317 553 D HN 0.154 nan 8.370 nan 0.000 0.497 554 D N 1.758 122.191 120.400 0.055 0.000 2.493 554 D HA -0.045 4.595 4.640 -0.001 0.000 0.240 554 D C 0.936 177.249 176.300 0.022 0.000 1.142 554 D CA -0.206 53.819 54.000 0.042 0.000 0.872 554 D CB 1.299 42.118 40.800 0.032 0.000 1.173 554 D HN 0.384 nan 8.370 nan 0.000 0.467 555 A N 4.629 127.461 122.820 0.020 0.000 1.948 555 A HA -0.313 4.007 4.320 -0.001 0.000 0.220 555 A C 2.001 179.580 177.584 -0.008 0.000 1.177 555 A CA 2.075 54.108 52.037 -0.008 0.000 0.636 555 A CB -0.747 18.263 19.000 0.016 0.000 0.815 555 A HN 0.819 nan 8.150 nan 0.000 0.449 556 N N -0.944 117.763 118.700 0.011 0.000 2.166 556 N HA -0.185 4.555 4.740 -0.001 0.000 0.186 556 N C 1.734 177.248 175.510 0.007 0.000 1.019 556 N CA 1.788 54.846 53.050 0.012 0.000 0.856 556 N CB -0.195 38.303 38.487 0.019 0.000 0.993 556 N HN 0.347 nan 8.380 nan 0.000 0.426 557 R N -0.231 120.274 120.500 0.009 0.000 2.140 557 R HA 0.344 4.684 4.340 -0.001 0.000 0.213 557 R C 2.007 178.310 176.300 0.004 0.000 1.059 557 R CA 0.925 57.032 56.100 0.013 0.000 1.000 557 R CB -0.646 29.669 30.300 0.025 0.000 0.910 557 R HN 0.302 nan 8.270 nan 0.000 0.455 558 A N 0.964 123.775 122.820 -0.014 0.000 1.948 558 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 558 A C 2.059 179.602 177.584 -0.067 0.000 1.177 558 A CA 1.529 53.532 52.037 -0.056 0.000 0.636 558 A CB -0.738 18.191 19.000 -0.119 0.000 0.815 558 A HN 0.411 nan 8.150 nan 0.000 0.449 559 L N -0.793 120.400 121.223 -0.049 0.000 1.971 559 L HA -0.243 4.097 4.340 -0.001 0.000 0.215 559 L C 2.631 179.489 176.870 -0.020 0.000 1.072 559 L CA 2.174 56.993 54.840 -0.035 0.000 0.758 559 L CB -0.310 41.741 42.059 -0.013 0.000 0.889 559 L HN 0.401 nan 8.230 nan 0.000 0.433 560 M N -0.592 119.004 119.600 -0.006 0.000 2.260 560 M HA -0.164 4.316 4.480 -0.001 0.000 0.261 560 M C 2.132 178.434 176.300 0.003 0.000 1.066 560 M CA 1.614 56.917 55.300 0.005 0.000 1.082 560 M CB -1.317 31.290 32.600 0.012 0.000 1.388 560 M HN 0.510 nan 8.290 nan 0.000 0.419 561 G N -0.077 108.718 108.800 -0.009 0.000 2.394 561 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.215 561 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.215 561 G C 1.630 176.513 174.900 -0.028 0.000 1.165 561 G CA 0.889 45.977 45.100 -0.019 0.000 0.784 561 G HN 0.481 nan 8.290 nan 0.000 0.535 562 S N 1.802 117.477 115.700 -0.041 0.000 2.343 562 S HA -0.158 4.311 4.470 -0.001 0.000 0.219 562 S C 2.209 176.805 174.600 -0.007 0.000 1.033 562 S CA 1.468 59.648 58.200 -0.034 0.000 1.014 562 S CB -0.499 62.672 63.200 -0.048 0.000 0.915 562 S HN 0.406 nan 8.310 nan 0.000 0.435 563 N N 2.039 120.738 118.700 -0.002 0.000 2.149 563 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 563 N C 1.778 177.300 175.510 0.020 0.000 1.019 563 N CA 1.558 54.615 53.050 0.012 0.000 0.857 563 N CB -0.599 37.896 38.487 0.013 0.000 0.997 563 N HN 0.673 nan 8.380 nan 0.000 0.426 564 M N 0.200 119.811 119.600 0.020 0.000 2.213 564 M HA -0.140 4.340 4.480 -0.001 0.000 0.263 564 M C 1.571 177.893 176.300 0.036 0.000 1.062 564 M CA 1.525 56.842 55.300 0.029 0.000 1.105 564 M CB -0.181 32.434 32.600 0.026 0.000 1.385 564 M HN 0.052 nan 8.290 nan 0.000 0.417 565 Q N 0.217 120.038 119.800 0.035 0.000 2.170 565 Q HA -0.109 4.231 4.340 -0.001 0.000 0.203 565 Q C 1.729 177.758 176.000 0.047 0.000 0.976 565 Q CA 1.976 57.809 55.803 0.050 0.000 0.858 565 Q CB -0.370 28.397 28.738 0.048 0.000 0.907 565 Q HN 0.654 nan 8.270 nan 0.000 0.433 566 T N 0.926 115.502 114.554 0.036 0.000 3.113 566 T HA -0.084 4.266 4.350 -0.001 0.000 0.263 566 T C 1.028 175.745 174.700 0.028 0.000 1.143 566 T CA 0.862 62.981 62.100 0.032 0.000 1.090 566 T CB -0.000 68.886 68.868 0.030 0.000 0.922 566 T HN 0.331 nan 8.240 nan 0.000 0.521 567 Q N 0.221 120.045 119.800 0.041 0.000 2.194 567 Q HA 0.478 4.818 4.340 -0.001 0.000 0.214 567 Q C 0.508 176.558 176.000 0.084 0.000 0.838 567 Q CA -0.420 55.416 55.803 0.055 0.000 0.972 567 Q CB 0.674 29.453 28.738 0.069 0.000 1.131 567 Q HN 0.384 nan 8.270 nan 0.000 0.498 568 A N 1.017 123.878 122.820 0.069 0.000 2.477 568 A HA 0.308 4.628 4.320 -0.001 0.000 0.246 568 A C -0.229 177.410 177.584 0.092 0.000 1.078 568 A CA -0.121 51.958 52.037 0.071 0.000 0.770 568 A CB 0.568 19.607 19.000 0.065 0.000 1.011 568 A HN 0.182 nan 8.150 nan 0.000 0.494 569 V N 4.734 124.709 119.914 0.101 0.000 2.483 569 V HA 0.519 4.638 4.120 -0.001 0.000 0.295 569 V C -2.350 173.795 176.094 0.085 0.000 1.035 569 V CA -2.300 60.081 62.300 0.134 0.000 0.896 569 V CB 1.669 33.605 31.823 0.190 0.000 0.986 569 V HN 0.804 nan 8.190 nan 0.000 0.447 570 P HA 0.168 nan 4.420 nan 0.000 0.264 570 P C -0.827 176.510 177.300 0.062 0.000 1.229 570 P CA -0.118 63.027 63.100 0.075 0.000 0.780 570 P CB 0.244 31.995 31.700 0.085 0.000 0.808 571 L N 4.925 126.161 121.223 0.023 0.000 2.326 571 L HA 0.220 4.560 4.340 -0.001 0.000 0.278 571 L C 1.745 178.635 176.870 0.033 0.000 1.092 571 L CA -0.251 54.586 54.840 -0.005 0.000 0.810 571 L CB 0.353 42.347 42.059 -0.108 0.000 1.153 571 L HN 0.343 nan 8.230 nan 0.000 0.439 572 I N 0.683 121.282 120.570 0.048 0.000 2.143 572 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 572 I C 0.744 176.893 176.117 0.052 0.000 1.068 572 I CA 1.360 62.700 61.300 0.068 0.000 1.326 572 I CB -0.522 37.518 38.000 0.065 0.000 1.028 572 I HN 0.513 nan 8.210 nan 0.000 0.412 573 R N 2.266 122.789 120.500 0.039 0.000 2.230 573 R HA 0.615 4.954 4.340 -0.001 0.000 0.337 573 R C -0.659 175.678 176.300 0.062 0.000 1.063 573 R CA -0.207 55.921 56.100 0.047 0.000 0.935 573 R CB 1.223 31.549 30.300 0.044 0.000 1.121 573 R HN 0.411 nan 8.270 nan 0.000 0.486 574 A N 3.813 126.677 122.820 0.073 0.000 2.260 574 A HA 0.322 4.642 4.320 -0.001 0.000 0.314 574 A C -0.411 177.259 177.584 0.142 0.000 1.257 574 A CA -0.517 51.581 52.037 0.103 0.000 0.871 574 A CB 0.856 19.911 19.000 0.092 0.000 1.166 574 A HN 0.655 nan 8.150 nan 0.000 0.522 575 Q N 1.012 120.937 119.800 0.208 0.000 2.353 575 Q HA 0.614 4.954 4.340 -0.001 0.000 0.268 575 Q C -0.219 175.941 176.000 0.267 0.000 1.045 575 Q CA -0.761 55.184 55.803 0.236 0.000 0.811 575 Q CB 2.392 31.297 28.738 0.277 0.000 1.305 575 Q HN 0.914 nan 8.270 nan 0.000 0.447 576 A N 3.244 126.173 122.820 0.182 0.000 2.351 576 A HA 0.495 4.815 4.320 -0.001 0.000 0.257 576 A C -2.313 175.195 177.584 -0.126 0.000 1.087 576 A CA -1.223 50.838 52.037 0.040 0.000 0.798 576 A CB -0.199 18.870 19.000 0.114 0.000 1.033 576 A HN 0.396 nan 8.150 nan 0.000 0.488 577 P HA 0.045 nan 4.420 nan 0.000 0.265 577 P C 1.200 178.412 177.300 -0.147 0.000 1.187 577 P CA 0.215 62.910 63.100 -0.674 0.000 0.766 577 P CB 0.380 31.449 31.700 -1.052 0.000 0.820 578 V N 1.826 121.771 119.914 0.052 0.000 2.867 578 V HA -0.080 4.040 4.120 -0.001 0.000 0.260 578 V C 0.843 177.040 176.094 0.172 0.000 1.099 578 V CA 1.183 63.577 62.300 0.158 0.000 1.122 578 V CB -0.724 31.239 31.823 0.233 0.000 0.708 578 V HN 0.372 nan 8.190 nan 0.000 0.490 579 V N 2.700 122.656 119.914 0.070 0.000 2.524 579 V HA 0.629 4.749 4.120 -0.001 0.000 0.297 579 V C -0.592 175.454 176.094 -0.079 0.000 1.035 579 V CA -0.758 61.580 62.300 0.063 0.000 0.867 579 V CB 1.702 33.584 31.823 0.098 0.000 1.004 579 V HN 0.446 nan 8.190 nan 0.000 0.426 580 M N 4.375 123.915 119.600 -0.101 0.000 2.705 580 M HA 0.503 4.983 4.480 -0.001 0.000 0.311 580 M C 1.072 177.276 176.300 -0.161 0.000 1.214 580 M CA -0.546 54.645 55.300 -0.182 0.000 0.920 580 M CB 1.771 34.221 32.600 -0.250 0.000 1.687 580 M HN 0.595 nan 8.290 nan 0.000 0.481 581 T N -2.691 111.764 114.554 -0.166 0.000 2.939 581 T HA 0.322 4.672 4.350 -0.001 0.000 0.254 581 T C 1.282 175.921 174.700 -0.101 0.000 1.041 581 T CA 0.863 62.878 62.100 -0.141 0.000 1.142 581 T CB 0.049 68.843 68.868 -0.124 0.000 0.874 581 T HN 1.061 nan 8.240 nan 0.000 0.452 582 G N 0.349 109.083 108.800 -0.109 0.000 2.613 582 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.199 582 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.199 582 G C 0.446 175.307 174.900 -0.066 0.000 0.991 582 G CA -0.093 44.956 45.100 -0.086 0.000 0.756 582 G HN 0.348 nan 8.290 nan 0.000 0.515 583 L N 2.022 123.206 121.223 -0.065 0.000 2.693 583 L HA 0.322 4.661 4.340 -0.001 0.000 0.235 583 L C 2.329 179.183 176.870 -0.027 0.000 1.127 583 L CA 0.908 55.724 54.840 -0.040 0.000 0.914 583 L CB 0.318 42.356 42.059 -0.035 0.000 1.193 583 L HN 0.327 nan 8.230 nan 0.000 0.502 584 E N 0.469 120.638 120.200 -0.052 0.000 2.118 584 E HA -0.264 4.086 4.350 -0.001 0.000 0.195 584 E C 1.342 177.997 176.600 0.092 0.000 0.992 584 E CA 1.512 57.906 56.400 -0.011 0.000 0.804 584 E CB -0.213 29.438 29.700 -0.083 0.000 0.741 584 E HN 0.588 nan 8.360 nan 0.000 0.458 585 E N 0.760 121.035 120.200 0.125 0.000 2.017 585 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 585 E C 2.339 179.016 176.600 0.128 0.000 0.997 585 E CA 0.681 57.226 56.400 0.242 0.000 0.804 585 E CB -0.114 29.737 29.700 0.250 0.000 0.757 585 E HN 0.086 nan 8.360 nan 0.000 0.448 586 R N 0.732 121.264 120.500 0.054 0.000 2.083 586 R HA -0.135 4.204 4.340 -0.001 0.000 0.237 586 R C 2.477 178.777 176.300 0.001 0.000 1.137 586 R CA 0.967 57.067 56.100 -0.001 0.000 0.951 586 R CB -0.991 29.291 30.300 -0.029 0.000 0.851 586 R HN 0.144 nan 8.270 nan 0.000 0.434 587 V N 1.331 121.254 119.914 0.017 0.000 2.287 587 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 587 V C 2.613 178.733 176.094 0.043 0.000 1.053 587 V CA 2.027 64.338 62.300 0.018 0.000 1.027 587 V CB -0.913 30.924 31.823 0.023 0.000 0.646 587 V HN 0.267 nan 8.190 nan 0.000 0.447 588 V N -0.943 119.021 119.914 0.084 0.000 2.626 588 V HA -0.207 3.912 4.120 -0.001 0.000 0.252 588 V C 2.375 178.561 176.094 0.153 0.000 1.067 588 V CA 2.272 64.642 62.300 0.117 0.000 1.081 588 V CB -0.816 31.097 31.823 0.150 0.000 0.686 588 V HN 0.437 nan 8.190 nan 0.000 0.468 589 R N -0.021 120.541 120.500 0.104 0.000 2.055 589 R HA -0.061 4.279 4.340 -0.001 0.000 0.226 589 R C 2.301 178.552 176.300 -0.082 0.000 1.135 589 R CA 1.675 57.747 56.100 -0.047 0.000 0.959 589 R CB -0.384 29.769 30.300 -0.245 0.000 0.854 589 R HN 0.540 nan 8.270 nan 0.000 0.431 590 D N 0.544 120.902 120.400 -0.070 0.000 2.178 590 D HA -0.091 4.549 4.640 -0.001 0.000 0.202 590 D C 0.678 176.955 176.300 -0.039 0.000 0.974 590 D CA 0.928 54.886 54.000 -0.069 0.000 0.841 590 D CB -0.004 40.752 40.800 -0.072 0.000 0.953 590 D HN 0.240 nan 8.370 nan 0.000 0.478 591 S N -0.123 115.570 115.700 -0.011 0.000 2.614 591 S HA 0.169 4.639 4.470 -0.001 0.000 0.265 591 S C 0.423 175.031 174.600 0.014 0.000 1.303 591 S CA -0.572 57.627 58.200 -0.002 0.000 1.000 591 S CB 1.188 64.395 63.200 0.012 0.000 0.935 591 S HN 0.121 nan 8.310 nan 0.000 0.551 592 L N 2.088 123.311 121.223 0.001 0.000 3.029 592 L HA 0.331 4.670 4.340 -0.001 0.000 0.231 592 L C 1.489 178.365 176.870 0.010 0.000 1.327 592 L CA -0.330 54.516 54.840 0.010 0.000 1.166 592 L CB -0.701 41.339 42.059 -0.032 0.000 1.532 592 L HN 0.976 nan 8.230 nan 0.000 0.473 593 A N 0.663 123.505 122.820 0.037 0.000 1.824 593 A HA 0.235 4.555 4.320 -0.001 0.000 0.215 593 A C 1.377 178.946 177.584 -0.026 0.000 1.244 593 A CA 0.953 52.996 52.037 0.010 0.000 0.604 593 A CB -0.329 18.689 19.000 0.031 0.000 0.900 593 A HN 0.437 nan 8.150 nan 0.000 0.455 594 A N -1.149 121.652 122.820 -0.032 0.000 2.366 594 A HA 0.512 4.832 4.320 -0.001 0.000 0.249 594 A C -0.321 177.079 177.584 -0.306 0.000 1.084 594 A CA -0.210 51.693 52.037 -0.223 0.000 0.794 594 A CB 0.002 18.767 19.000 -0.391 0.000 1.034 594 A HN 0.657 nan 8.150 nan 0.000 0.491 595 L N 1.571 122.567 121.223 -0.378 0.000 2.264 595 L HA 0.510 4.849 4.340 -0.001 0.000 0.289 595 L C -1.131 175.491 176.870 -0.412 0.000 1.044 595 L CA 0.127 54.799 54.840 -0.280 0.000 0.807 595 L CB 0.399 42.353 42.059 -0.174 0.000 1.192 595 L HN 0.636 nan 8.230 nan 0.000 0.425 596 Y N 2.788 123.067 120.300 -0.034 0.000 2.453 596 Y HA 0.668 5.218 4.550 -0.000 0.000 0.326 596 Y C 0.566 176.521 175.900 0.092 0.000 1.186 596 Y CA -0.808 57.301 58.100 0.014 0.000 1.200 596 Y CB 1.280 39.732 38.460 -0.013 0.000 1.247 596 Y HN 0.621 nan 8.280 nan 0.000 0.482 597 A N 1.833 124.821 122.820 0.280 0.000 2.354 597 A HA 0.220 4.539 4.320 -0.001 0.000 0.281 597 A C 0.805 178.495 177.584 0.176 0.000 1.174 597 A CA -0.449 51.782 52.037 0.325 0.000 0.828 597 A CB 0.011 19.171 19.000 0.266 0.000 1.099 597 A HN 1.003 nan 8.150 nan 0.000 0.516 598 E N 1.588 121.885 120.200 0.162 0.000 1.997 598 E HA -0.147 4.203 4.350 -0.001 0.000 0.201 598 E C 0.523 176.929 176.600 -0.322 0.000 1.011 598 E CA 1.525 57.873 56.400 -0.088 0.000 0.847 598 E CB 0.050 29.734 29.700 -0.026 0.000 0.787 598 E HN 0.840 nan 8.360 nan 0.000 0.472 599 E N 0.163 119.871 120.200 -0.820 0.000 2.334 599 E HA 0.121 4.471 4.350 -0.001 0.000 0.256 599 E C -1.092 175.200 176.600 -0.514 0.000 0.958 599 E CA -0.621 55.426 56.400 -0.588 0.000 0.821 599 E CB 1.117 30.511 29.700 -0.510 0.000 1.269 599 E HN -0.063 nan 8.360 nan 0.000 0.413 600 D N -0.424 119.855 120.400 -0.201 0.000 2.382 600 D HA 0.443 5.083 4.640 -0.001 0.000 0.240 600 D C 0.095 176.479 176.300 0.140 0.000 1.146 600 D CA 0.754 54.743 54.000 -0.018 0.000 0.897 600 D CB 1.311 42.109 40.800 -0.004 0.000 1.197 600 D HN 0.545 nan 8.370 nan 0.000 0.432 601 G N 0.407 109.335 108.800 0.212 0.000 2.356 601 G HA2 0.306 4.266 3.960 -0.001 0.000 0.281 601 G HA3 0.306 4.266 3.960 -0.001 0.000 0.281 601 G C -1.407 173.558 174.900 0.108 0.000 1.246 601 G CA -0.523 44.714 45.100 0.228 0.000 0.889 601 G HN 0.420 nan 8.290 nan 0.000 0.486 602 E N -1.559 118.662 120.200 0.036 0.000 2.410 602 E HA 0.670 5.019 4.350 -0.001 0.000 0.269 602 E C -0.851 175.706 176.600 -0.072 0.000 0.937 602 E CA -0.652 55.741 56.400 -0.013 0.000 0.793 602 E CB 2.599 32.288 29.700 -0.019 0.000 1.314 602 E HN 0.421 nan 8.360 nan 0.000 0.447 603 V N 2.090 121.963 119.914 -0.069 0.000 2.481 603 V HA 0.534 4.653 4.120 -0.001 0.000 0.286 603 V C 0.535 176.570 176.094 -0.098 0.000 1.042 603 V CA 0.193 62.432 62.300 -0.102 0.000 0.928 603 V CB 1.036 32.813 31.823 -0.076 0.000 0.986 603 V HN 0.911 nan 8.190 nan 0.000 0.462 604 A N 4.437 127.181 122.820 -0.125 0.000 1.941 604 A HA 0.355 4.674 4.320 -0.001 0.000 0.214 604 A C 0.769 178.302 177.584 -0.085 0.000 1.368 604 A CA 0.447 52.422 52.037 -0.103 0.000 0.651 604 A CB 0.183 19.110 19.000 -0.121 0.000 1.064 604 A HN 0.732 nan 8.150 nan 0.000 0.492 605 K N 0.074 120.417 120.400 -0.095 0.000 2.316 605 K HA 0.577 4.896 4.320 -0.001 0.000 0.251 605 K C -1.624 174.933 176.600 -0.071 0.000 0.934 605 K CA -0.670 55.573 56.287 -0.073 0.000 0.802 605 K CB 2.695 35.154 32.500 -0.067 0.000 1.171 605 K HN 0.075 nan 8.250 nan 0.000 0.426 606 V N 0.023 119.905 119.914 -0.054 0.000 2.276 606 V HA 0.211 4.331 4.120 -0.001 0.000 0.268 606 V C -0.285 175.787 176.094 -0.037 0.000 1.032 606 V CA -0.908 61.364 62.300 -0.047 0.000 0.810 606 V CB 0.574 32.372 31.823 -0.042 0.000 1.060 606 V HN 0.766 nan 8.190 nan 0.000 0.446 607 D N 3.414 123.793 120.400 -0.035 0.000 2.387 607 D HA 0.336 4.975 4.640 -0.001 0.000 0.251 607 D C 1.235 177.519 176.300 -0.026 0.000 1.141 607 D CA 0.356 54.340 54.000 -0.026 0.000 0.987 607 D CB 2.618 43.404 40.800 -0.023 0.000 1.116 607 D HN 0.482 nan 8.370 nan 0.000 0.491 608 G N 0.602 109.389 108.800 -0.021 0.000 2.920 608 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.208 608 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.208 608 G C 1.137 176.015 174.900 -0.037 0.000 1.159 608 G CA 0.014 45.097 45.100 -0.028 0.000 0.784 608 G HN 0.564 nan 8.290 nan 0.000 0.535 609 N N -0.531 118.155 118.700 -0.023 0.000 2.317 609 N HA 0.122 4.862 4.740 -0.001 0.000 0.199 609 N C 0.080 175.586 175.510 -0.008 0.000 1.145 609 N CA -0.161 52.881 53.050 -0.014 0.000 0.882 609 N CB 0.767 39.255 38.487 0.002 0.000 1.113 609 N HN 0.313 nan 8.380 nan 0.000 0.486 610 R N 0.378 120.871 120.500 -0.012 0.000 2.629 610 R HA 0.437 4.777 4.340 -0.001 0.000 0.266 610 R C -1.551 174.735 176.300 -0.024 0.000 1.051 610 R CA -0.692 55.405 56.100 -0.004 0.000 0.895 610 R CB 0.785 31.084 30.300 -0.002 0.000 1.246 610 R HN -0.079 nan 8.270 nan 0.000 0.459 611 I N 1.139 121.697 120.570 -0.021 0.000 2.466 611 I HA 0.333 4.503 4.170 -0.001 0.000 0.279 611 I C -0.547 175.463 176.117 -0.179 0.000 1.033 611 I CA -1.323 59.934 61.300 -0.071 0.000 1.123 611 I CB 1.930 39.908 38.000 -0.037 0.000 1.237 611 I HN 0.269 nan 8.210 nan 0.000 0.460 612 V N 6.584 126.380 119.914 -0.197 0.000 2.353 612 V HA 0.236 4.356 4.120 -0.001 0.000 0.264 612 V C 0.637 176.526 176.094 -0.342 0.000 1.049 612 V CA -0.572 61.553 62.300 -0.291 0.000 0.896 612 V CB 0.865 32.571 31.823 -0.195 0.000 1.025 612 V HN 0.550 nan 8.190 nan 0.000 0.475 613 V N 3.087 122.682 119.914 -0.533 0.000 2.997 613 V HA 0.589 4.708 4.120 -0.001 0.000 0.311 613 V C 0.266 176.021 176.094 -0.565 0.000 1.066 613 V CA -1.070 60.917 62.300 -0.522 0.000 1.039 613 V CB 1.312 32.748 31.823 -0.646 0.000 1.081 613 V HN 0.875 nan 8.190 nan 0.000 0.467 614 R N 1.181 121.434 120.500 -0.412 0.000 2.320 614 R HA 0.401 4.741 4.340 -0.001 0.000 0.319 614 R C -1.291 174.899 176.300 -0.183 0.000 0.969 614 R CA -0.477 55.449 56.100 -0.291 0.000 0.857 614 R CB 0.590 30.802 30.300 -0.148 0.000 1.160 614 R HN 0.858 nan 8.270 nan 0.000 0.491 615 Y N 1.503 121.771 120.300 -0.053 0.000 2.299 615 Y HA 0.023 4.572 4.550 -0.000 0.000 0.335 615 Y C 1.477 177.363 175.900 -0.022 0.000 1.287 615 Y CA -0.742 57.340 58.100 -0.031 0.000 1.424 615 Y CB 0.947 39.395 38.460 -0.020 0.000 1.326 615 Y HN 0.511 nan 8.280 nan 0.000 0.567 616 E N 0.909 121.210 120.200 0.169 0.000 2.511 616 E HA -0.096 4.254 4.350 -0.001 0.000 0.196 616 E C 0.495 177.133 176.600 0.062 0.000 1.066 616 E CA 0.559 57.007 56.400 0.080 0.000 0.871 616 E CB -0.253 29.479 29.700 0.052 0.000 0.863 616 E HN 0.684 nan 8.360 nan 0.000 0.520 617 D N -0.783 119.666 120.400 0.081 0.000 2.328 617 D HA 0.102 4.742 4.640 -0.001 0.000 0.226 617 D C 1.187 177.515 176.300 0.047 0.000 1.066 617 D CA 0.576 54.608 54.000 0.052 0.000 0.861 617 D CB 0.093 40.922 40.800 0.048 0.000 0.912 617 D HN 0.100 nan 8.370 nan 0.000 0.521 618 G N 0.245 109.074 108.800 0.049 0.000 2.141 618 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.231 618 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.231 618 G C 0.058 174.971 174.900 0.021 0.000 0.984 618 G CA -0.236 44.879 45.100 0.026 0.000 0.660 618 G HN 0.502 nan 8.290 nan 0.000 0.525 619 R N -0.648 119.878 120.500 0.043 0.000 2.828 619 R HA 0.863 5.203 4.340 -0.001 0.000 0.264 619 R C -0.333 175.940 176.300 -0.045 0.000 1.022 619 R CA -0.955 55.160 56.100 0.024 0.000 1.021 619 R CB 1.368 31.714 30.300 0.077 0.000 1.163 619 R HN 0.563 nan 8.270 nan 0.000 0.494 620 L N -1.820 119.347 121.223 -0.093 0.000 2.470 620 L HA 0.683 5.023 4.340 -0.001 0.000 0.268 620 L C -0.951 175.797 176.870 -0.203 0.000 0.964 620 L CA -1.017 53.698 54.840 -0.209 0.000 0.839 620 L CB 2.037 43.995 42.059 -0.169 0.000 1.276 620 L HN 0.339 nan 8.230 nan 0.000 0.403 621 V N 0.072 119.781 119.914 -0.342 0.000 2.628 621 V HA 0.560 4.679 4.120 -0.001 0.000 0.306 621 V C -0.174 175.693 176.094 -0.378 0.000 1.045 621 V CA -0.593 61.546 62.300 -0.268 0.000 0.905 621 V CB 1.695 33.408 31.823 -0.183 0.000 0.997 621 V HN 0.914 nan 8.190 nan 0.000 0.436 622 E N 2.643 122.743 120.200 -0.167 0.000 2.152 622 E HA 0.292 4.641 4.350 -0.001 0.000 0.285 622 E C -1.434 175.202 176.600 0.060 0.000 1.043 622 E CA -0.425 55.908 56.400 -0.111 0.000 0.839 622 E CB 0.641 30.316 29.700 -0.042 0.000 1.069 622 E HN 0.759 nan 8.360 nan 0.000 0.399 623 Y N 5.792 126.060 120.300 -0.055 0.000 2.593 623 Y HA 0.258 4.807 4.550 -0.000 0.000 0.331 623 Y C -1.970 173.902 175.900 -0.047 0.000 0.986 623 Y CA -2.805 55.269 58.100 -0.044 0.000 1.262 623 Y CB 1.046 39.480 38.460 -0.043 0.000 1.098 623 Y HN 0.455 nan 8.280 nan 0.000 0.506 624 P HA 0.023 nan 4.420 nan 0.000 0.270 624 P C -0.882 176.424 177.300 0.011 0.000 1.227 624 P CA 0.292 63.420 63.100 0.048 0.000 0.788 624 P CB 0.718 32.438 31.700 0.033 0.000 0.926 625 L N 1.538 122.754 121.223 -0.011 0.000 2.372 625 L HA 0.440 4.779 4.340 -0.001 0.000 0.274 625 L C 0.484 177.317 176.870 -0.061 0.000 0.988 625 L CA -0.843 53.964 54.840 -0.054 0.000 0.833 625 L CB 1.586 43.610 42.059 -0.059 0.000 1.236 625 L HN 0.211 nan 8.230 nan 0.000 0.410 626 R N 3.478 123.889 120.500 -0.148 0.000 2.936 626 R HA -0.084 4.256 4.340 -0.001 0.000 0.361 626 R C 1.101 177.434 176.300 0.054 0.000 0.873 626 R CA 0.049 56.036 56.100 -0.188 0.000 1.041 626 R CB 0.039 30.022 30.300 -0.528 0.000 0.924 626 R HN 0.688 nan 8.270 nan 0.000 0.401 627 R N 2.094 122.705 120.500 0.184 0.000 2.205 627 R HA -0.146 4.194 4.340 -0.001 0.000 0.221 627 R C 0.014 176.116 176.300 -0.330 0.000 1.101 627 R CA 1.211 57.255 56.100 -0.093 0.000 0.869 627 R CB -0.214 30.097 30.300 0.018 0.000 0.815 627 R HN 0.238 nan 8.270 nan 0.000 0.434 628 F N 0.012 120.070 119.950 0.180 0.000 2.659 628 F HA 0.410 4.937 4.527 -0.001 0.000 0.342 628 F C -1.219 174.605 175.800 0.039 0.000 1.168 628 F CA -0.979 57.092 58.000 0.119 0.000 1.003 628 F CB 1.624 40.643 39.000 0.032 0.000 1.267 628 F HN 0.026 nan 8.300 nan 0.000 0.463 629 Y N 0.816 121.231 120.300 0.192 0.000 2.468 629 Y HA 0.595 5.144 4.550 -0.001 0.000 0.342 629 Y C 0.177 176.160 175.900 0.137 0.000 1.021 629 Y CA -1.362 56.819 58.100 0.135 0.000 1.079 629 Y CB 1.535 40.035 38.460 0.066 0.000 1.226 629 Y HN 0.353 nan 8.280 nan 0.000 0.460 630 R N 1.905 122.568 120.500 0.272 0.000 2.288 630 R HA 0.280 4.620 4.340 -0.001 0.000 0.330 630 R C -0.159 176.224 176.300 0.138 0.000 1.069 630 R CA -0.183 56.029 56.100 0.188 0.000 0.941 630 R CB -0.041 30.396 30.300 0.228 0.000 0.998 630 R HN 0.680 nan 8.270 nan 0.000 0.452 631 S N 3.237 118.986 115.700 0.082 0.000 2.593 631 S HA 0.066 4.536 4.470 -0.001 0.000 0.269 631 S C 0.937 175.559 174.600 0.037 0.000 1.334 631 S CA -0.460 57.768 58.200 0.048 0.000 1.015 631 S CB 0.973 64.188 63.200 0.025 0.000 0.912 631 S HN 0.725 nan 8.310 nan 0.000 0.541 632 N N 1.294 120.011 118.700 0.030 0.000 2.091 632 N HA -0.115 4.625 4.740 -0.001 0.000 0.193 632 N C 1.260 176.878 175.510 0.179 0.000 1.021 632 N CA 1.531 54.645 53.050 0.106 0.000 0.862 632 N CB -0.351 38.153 38.487 0.028 0.000 1.018 632 N HN 0.622 nan 8.380 nan 0.000 0.429 633 Q N -0.568 119.271 119.800 0.064 0.000 2.280 633 Q HA 0.266 4.605 4.340 -0.001 0.000 0.202 633 Q C 0.550 176.569 176.000 0.031 0.000 0.903 633 Q CA 0.284 56.078 55.803 -0.015 0.000 0.948 633 Q CB -0.185 28.433 28.738 -0.201 0.000 1.058 633 Q HN 0.397 nan 8.270 nan 0.000 0.493 634 G N 1.606 110.391 108.800 -0.025 0.000 2.225 634 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.264 634 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.264 634 G C 0.087 174.788 174.900 -0.332 0.000 1.060 634 G CA 0.624 45.630 45.100 -0.157 0.000 0.833 634 G HN 0.357 nan 8.290 nan 0.000 0.498 635 T N -1.314 113.162 114.554 -0.129 0.000 2.952 635 T HA 0.828 5.178 4.350 -0.001 0.000 0.286 635 T C 0.445 175.158 174.700 0.021 0.000 1.024 635 T CA -0.068 61.986 62.100 -0.077 0.000 1.029 635 T CB 2.260 71.152 68.868 0.041 0.000 1.094 635 T HN 1.545 nan 8.240 nan 0.000 0.515 636 A N 1.670 124.539 122.820 0.081 0.000 2.331 636 A HA 0.670 4.989 4.320 -0.001 0.000 0.283 636 A C -0.280 177.405 177.584 0.169 0.000 1.142 636 A CA -0.782 51.359 52.037 0.174 0.000 0.812 636 A CB -0.261 18.882 19.000 0.238 0.000 1.074 636 A HN 0.815 nan 8.150 nan 0.000 0.497 637 L N 4.176 125.516 121.223 0.194 0.000 2.417 637 L HA 0.371 4.710 4.340 -0.001 0.000 0.259 637 L C -1.009 175.902 176.870 0.069 0.000 1.023 637 L CA -0.567 54.339 54.840 0.110 0.000 0.901 637 L CB 0.809 42.917 42.059 0.082 0.000 1.227 637 L HN 0.764 nan 8.230 nan 0.000 0.454 638 D N 1.703 122.100 120.400 -0.005 0.000 2.481 638 D HA 0.309 4.949 4.640 -0.001 0.000 0.244 638 D C -0.855 175.361 176.300 -0.140 0.000 1.057 638 D CA -0.742 53.152 54.000 -0.177 0.000 0.848 638 D CB 2.136 42.664 40.800 -0.454 0.000 1.388 638 D HN 0.352 nan 8.370 nan 0.000 0.475 639 Q N 1.291 120.992 119.800 -0.166 0.000 2.372 639 Q HA 0.368 4.708 4.340 -0.001 0.000 0.259 639 Q C -0.636 175.286 176.000 -0.129 0.000 0.993 639 Q CA -0.546 55.180 55.803 -0.130 0.000 0.854 639 Q CB 1.764 30.429 28.738 -0.121 0.000 1.231 639 Q HN 0.147 nan 8.270 nan 0.000 0.462 640 R N 3.165 123.602 120.500 -0.104 0.000 2.204 640 R HA 0.306 4.645 4.340 -0.001 0.000 0.341 640 R C -2.487 173.768 176.300 -0.074 0.000 1.035 640 R CA -1.950 54.099 56.100 -0.085 0.000 0.887 640 R CB 0.170 30.434 30.300 -0.060 0.000 1.114 640 R HN 0.315 nan 8.270 nan 0.000 0.473 641 P HA -0.061 nan 4.420 nan 0.000 0.262 641 P C 0.127 177.393 177.300 -0.057 0.000 1.182 641 P CA 0.135 63.200 63.100 -0.058 0.000 0.761 641 P CB 0.699 32.371 31.700 -0.047 0.000 0.795 642 R N 1.845 122.307 120.500 -0.064 0.000 2.437 642 R HA 0.187 4.527 4.340 -0.001 0.000 0.257 642 R C -0.290 175.978 176.300 -0.052 0.000 0.927 642 R CA 0.055 56.118 56.100 -0.062 0.000 1.078 642 R CB 0.404 30.655 30.300 -0.082 0.000 1.161 642 R HN 0.283 nan 8.270 nan 0.000 0.529 643 V N 2.312 122.198 119.914 -0.047 0.000 2.472 643 V HA 0.255 4.375 4.120 -0.001 0.000 0.290 643 V C 0.803 176.875 176.094 -0.036 0.000 1.037 643 V CA -1.040 61.237 62.300 -0.039 0.000 0.908 643 V CB 1.768 33.571 31.823 -0.033 0.000 0.985 643 V HN -0.059 nan 8.190 nan 0.000 0.454 644 V N 3.469 123.363 119.914 -0.032 0.000 3.214 644 V HA 0.567 4.687 4.120 -0.001 0.000 0.306 644 V C 0.328 176.402 176.094 -0.034 0.000 1.078 644 V CA -0.625 61.656 62.300 -0.031 0.000 1.077 644 V CB 1.304 33.111 31.823 -0.026 0.000 1.121 644 V HN 0.622 nan 8.190 nan 0.000 0.468 645 V N 0.951 120.845 119.914 -0.033 0.000 2.585 645 V HA 0.564 4.684 4.120 -0.001 0.000 0.296 645 V C 1.247 177.320 176.094 -0.035 0.000 1.035 645 V CA 0.216 62.494 62.300 -0.038 0.000 1.084 645 V CB -0.568 31.234 31.823 -0.035 0.000 0.953 645 V HN 2.167 nan 8.190 nan 0.000 0.483 646 G N 3.013 111.789 108.800 -0.041 0.000 2.462 646 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.283 646 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.283 646 G C -0.370 174.514 174.900 -0.026 0.000 1.043 646 G CA 0.451 45.530 45.100 -0.035 0.000 1.300 646 G HN 1.136 nan 8.290 nan 0.000 0.518 647 Q N 0.508 120.293 119.800 -0.025 0.000 2.275 647 Q HA 0.391 4.731 4.340 -0.001 0.000 0.266 647 Q C 0.583 176.582 176.000 -0.003 0.000 1.002 647 Q CA -1.061 54.733 55.803 -0.015 0.000 0.761 647 Q CB 1.147 29.875 28.738 -0.017 0.000 1.255 647 Q HN 0.623 nan 8.270 nan 0.000 0.446 648 R N 2.127 122.630 120.500 0.005 0.000 2.399 648 R HA 0.162 4.502 4.340 -0.001 0.000 0.324 648 R C 0.136 176.454 176.300 0.029 0.000 1.030 648 R CA -0.169 55.943 56.100 0.020 0.000 0.984 648 R CB -0.464 29.846 30.300 0.016 0.000 0.961 648 R HN 0.331 nan 8.270 nan 0.000 0.433 649 V N 0.816 120.763 119.914 0.054 0.000 2.472 649 V HA 0.459 4.579 4.120 -0.001 0.000 0.290 649 V C 0.462 176.596 176.094 0.067 0.000 1.037 649 V CA -1.342 60.997 62.300 0.064 0.000 0.908 649 V CB 1.431 33.312 31.823 0.097 0.000 0.985 649 V HN 0.836 nan 8.190 nan 0.000 0.454 650 R N 2.850 123.379 120.500 0.048 0.000 2.490 650 R HA 0.395 4.735 4.340 -0.001 0.000 0.278 650 R C 0.055 176.377 176.300 0.036 0.000 1.069 650 R CA -0.714 55.407 56.100 0.034 0.000 1.080 650 R CB 0.869 31.184 30.300 0.025 0.000 1.030 650 R HN 0.870 nan 8.270 nan 0.000 0.491 651 K N 1.866 122.269 120.400 0.004 0.000 2.453 651 K HA 0.027 4.347 4.320 -0.001 0.000 0.280 651 K C 0.216 176.828 176.600 0.020 0.000 1.045 651 K CA 1.167 57.444 56.287 -0.017 0.000 1.059 651 K CB -0.081 32.386 32.500 -0.054 0.000 0.901 651 K HN 0.946 nan 8.250 nan 0.000 0.475 652 G N 3.240 112.078 108.800 0.063 0.000 2.204 652 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.244 652 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.244 652 G C -0.561 174.470 174.900 0.219 0.000 1.062 652 G CA 0.112 45.279 45.100 0.112 0.000 0.798 652 G HN 0.771 nan 8.290 nan 0.000 0.496 653 D N 0.272 120.792 120.400 0.199 0.000 2.185 653 D HA 0.510 5.149 4.640 -0.001 0.000 0.247 653 D C 1.346 177.690 176.300 0.073 0.000 1.027 653 D CA -0.722 53.365 54.000 0.145 0.000 0.861 653 D CB 1.183 42.027 40.800 0.072 0.000 1.202 653 D HN 0.593 nan 8.370 nan 0.000 0.453 654 L N 1.379 122.565 121.223 -0.061 0.000 2.513 654 L HA 0.223 4.562 4.340 -0.001 0.000 0.272 654 L C 0.654 177.433 176.870 -0.153 0.000 1.187 654 L CA -0.303 54.367 54.840 -0.284 0.000 0.895 654 L CB 0.348 42.221 42.059 -0.310 0.000 1.147 654 L HN 0.348 nan 8.230 nan 0.000 0.483 655 L N 3.367 124.503 121.223 -0.145 0.000 2.316 655 L HA 0.473 4.812 4.340 -0.001 0.000 0.207 655 L C 1.076 177.897 176.870 -0.083 0.000 1.070 655 L CA 0.625 55.431 54.840 -0.057 0.000 0.820 655 L CB -0.103 41.980 42.059 0.040 0.000 0.992 655 L HN 0.879 nan 8.230 nan 0.000 0.466 656 A N -0.641 122.099 122.820 -0.133 0.000 2.475 656 A HA 0.552 4.871 4.320 -0.001 0.000 0.301 656 A C -1.672 175.809 177.584 -0.172 0.000 1.059 656 A CA -0.503 51.458 52.037 -0.127 0.000 0.710 656 A CB 1.231 20.172 19.000 -0.099 0.000 1.288 656 A HN 0.036 nan 8.150 nan 0.000 0.408 657 D N 0.436 120.757 120.400 -0.132 0.000 2.210 657 D HA 0.501 5.141 4.640 -0.001 0.000 0.249 657 D C 0.948 177.190 176.300 -0.096 0.000 1.062 657 D CA 0.796 54.723 54.000 -0.122 0.000 0.891 657 D CB 1.401 42.151 40.800 -0.083 0.000 1.186 657 D HN 0.764 nan 8.370 nan 0.000 0.432 658 G N 1.746 110.498 108.800 -0.079 0.000 2.631 658 G HA2 0.084 4.044 3.960 -0.001 0.000 0.271 658 G HA3 0.084 4.044 3.960 -0.001 0.000 0.271 658 G C -1.462 173.426 174.900 -0.021 0.000 1.302 658 G CA -0.750 44.320 45.100 -0.050 0.000 1.002 658 G HN 0.350 nan 8.290 nan 0.000 0.519 659 P HA -0.108 nan 4.420 nan 0.000 0.216 659 P C 0.998 178.323 177.300 0.042 0.000 1.154 659 P CA 2.532 65.648 63.100 0.026 0.000 0.865 659 P CB 0.220 31.942 31.700 0.036 0.000 0.789 660 A N -1.671 121.176 122.820 0.044 0.000 2.705 660 A HA 0.391 4.711 4.320 -0.001 0.000 0.294 660 A C 0.234 177.860 177.584 0.070 0.000 1.039 660 A CA -0.131 51.944 52.037 0.063 0.000 1.005 660 A CB -0.242 18.804 19.000 0.077 0.000 1.192 660 A HN 0.161 nan 8.150 nan 0.000 0.513 661 S N -1.408 114.319 115.700 0.045 0.000 2.501 661 S HA 0.526 4.995 4.470 -0.001 0.000 0.301 661 S C 0.498 175.117 174.600 0.031 0.000 1.096 661 S CA -0.332 57.897 58.200 0.049 0.000 1.063 661 S CB 2.063 65.276 63.200 0.021 0.000 1.042 661 S HN 0.388 nan 8.310 nan 0.000 0.494 662 E N 1.757 121.988 120.200 0.053 0.000 2.022 662 E HA 0.013 4.362 4.350 -0.001 0.000 0.190 662 E C -0.335 176.240 176.600 -0.043 0.000 0.973 662 E CA 0.598 57.020 56.400 0.037 0.000 0.816 662 E CB 0.106 29.868 29.700 0.104 0.000 0.781 662 E HN 0.740 nan 8.360 nan 0.000 0.456 663 N N -0.724 117.903 118.700 -0.120 0.000 2.725 663 N HA 0.171 4.911 4.740 -0.001 0.000 0.248 663 N C -0.273 174.943 175.510 -0.491 0.000 1.402 663 N CA 0.554 53.432 53.050 -0.287 0.000 0.766 663 N CB 1.335 39.617 38.487 -0.341 0.000 1.223 663 N HN 0.402 nan 8.380 nan 0.000 0.515 664 G N 0.591 109.233 108.800 -0.264 0.000 2.205 664 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.269 664 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.269 664 G C 0.000 174.894 174.900 -0.011 0.000 0.977 664 G CA 0.509 45.505 45.100 -0.173 0.000 0.652 664 G HN 0.491 nan 8.290 nan 0.000 0.539 665 F N -0.690 119.278 119.950 0.029 0.000 2.399 665 F HA 0.618 5.145 4.527 -0.000 0.000 0.328 665 F C 0.663 176.475 175.800 0.021 0.000 1.084 665 F CA -1.579 56.434 58.000 0.020 0.000 1.053 665 F CB 1.187 40.188 39.000 0.002 0.000 1.209 665 F HN 0.027 nan 8.300 nan 0.000 0.502 666 L N 2.891 124.248 121.223 0.223 0.000 2.410 666 L HA 0.492 4.831 4.340 -0.001 0.000 0.273 666 L C -0.361 176.588 176.870 0.131 0.000 1.152 666 L CA -0.010 54.912 54.840 0.136 0.000 0.855 666 L CB 0.083 42.194 42.059 0.087 0.000 1.129 666 L HN 0.629 nan 8.230 nan 0.000 0.463 667 A N 6.200 129.117 122.820 0.161 0.000 2.429 667 A HA 0.737 5.057 4.320 -0.001 0.000 0.289 667 A C -1.835 175.895 177.584 0.243 0.000 1.043 667 A CA -0.523 51.652 52.037 0.230 0.000 0.722 667 A CB 0.893 20.014 19.000 0.202 0.000 1.243 667 A HN 0.564 nan 8.150 nan 0.000 0.415 668 L N 1.585 123.030 121.223 0.370 0.000 2.439 668 L HA 0.879 5.218 4.340 -0.001 0.000 0.270 668 L C 0.579 177.416 176.870 -0.056 0.000 0.972 668 L CA 0.408 55.346 54.840 0.163 0.000 0.836 668 L CB 1.187 43.336 42.059 0.149 0.000 1.255 668 L HN 1.949 nan 8.230 nan 0.000 0.404 669 G N 2.061 110.752 108.800 -0.182 0.000 2.828 669 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.463 669 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.463 669 G C -1.197 173.491 174.900 -0.354 0.000 1.394 669 G CA -0.601 44.244 45.100 -0.424 0.000 0.862 669 G HN 0.715 nan 8.290 nan 0.000 0.540 670 Q N -0.761 118.827 119.800 -0.352 0.000 2.456 670 Q HA 0.392 4.732 4.340 -0.001 0.000 0.283 670 Q C -0.437 175.602 176.000 0.065 0.000 1.084 670 Q CA -1.018 54.769 55.803 -0.026 0.000 0.801 670 Q CB 1.780 30.519 28.738 0.002 0.000 1.434 670 Q HN 0.681 nan 8.270 nan 0.000 0.419 671 N N 0.900 119.766 118.700 0.278 0.000 2.427 671 N HA 0.200 4.940 4.740 -0.001 0.000 0.269 671 N C -0.442 175.138 175.510 0.116 0.000 1.235 671 N CA -0.156 53.059 53.050 0.276 0.000 0.934 671 N CB 0.572 39.260 38.487 0.335 0.000 1.121 671 N HN 0.306 nan 8.380 nan 0.000 0.480 672 V N 0.883 120.808 119.914 0.019 0.000 2.823 672 V HA 0.475 4.595 4.120 -0.001 0.000 0.312 672 V C -0.081 176.007 176.094 -0.010 0.000 1.072 672 V CA -1.210 61.043 62.300 -0.078 0.000 0.937 672 V CB 1.738 33.410 31.823 -0.252 0.000 1.013 672 V HN 0.477 nan 8.190 nan 0.000 0.430 673 L N 3.735 124.944 121.223 -0.025 0.000 2.410 673 L HA 0.646 4.986 4.340 -0.001 0.000 0.273 673 L C -0.275 176.547 176.870 -0.080 0.000 1.152 673 L CA 0.021 54.803 54.840 -0.095 0.000 0.855 673 L CB 1.338 43.263 42.059 -0.224 0.000 1.129 673 L HN 0.819 nan 8.230 nan 0.000 0.463 674 V N 5.193 125.070 119.914 -0.063 0.000 2.808 674 V HA 0.773 4.893 4.120 -0.001 0.000 0.308 674 V C -0.530 175.542 176.094 -0.038 0.000 1.099 674 V CA -0.308 61.958 62.300 -0.057 0.000 0.920 674 V CB 1.999 33.790 31.823 -0.053 0.000 1.014 674 V HN 0.867 nan 8.190 nan 0.000 0.425 675 A N 6.580 129.379 122.820 -0.035 0.000 2.274 675 A HA 0.669 4.989 4.320 -0.001 0.000 0.309 675 A C 0.016 177.594 177.584 -0.010 0.000 1.226 675 A CA -0.471 51.560 52.037 -0.010 0.000 0.853 675 A CB 0.755 19.759 19.000 0.007 0.000 1.146 675 A HN 1.229 nan 8.150 nan 0.000 0.518 676 I N 4.970 125.538 120.570 -0.004 0.000 2.410 676 I HA 0.334 4.504 4.170 -0.001 0.000 0.288 676 I C -0.287 175.837 176.117 0.011 0.000 1.106 676 I CA -0.121 61.173 61.300 -0.010 0.000 1.389 676 I CB -0.831 37.152 38.000 -0.029 0.000 1.561 676 I HN 0.780 nan 8.210 nan 0.000 0.605 677 M N 4.127 123.749 119.600 0.036 0.000 2.691 677 M HA 0.756 5.236 4.480 -0.001 0.000 0.293 677 M C -2.998 173.365 176.300 0.106 0.000 1.259 677 M CA -2.010 53.330 55.300 0.067 0.000 0.827 677 M CB 1.508 34.163 32.600 0.091 0.000 1.753 677 M HN -0.150 nan 8.290 nan 0.000 0.465 678 P HA 0.430 nan 4.420 nan 0.000 0.282 678 P C -1.579 175.882 177.300 0.268 0.000 1.249 678 P CA -0.153 63.035 63.100 0.147 0.000 0.806 678 P CB 0.685 32.436 31.700 0.084 0.000 0.984 679 F N 0.920 120.914 119.950 0.074 0.000 2.656 679 F HA 0.264 4.791 4.527 -0.001 0.000 0.394 679 F C 1.707 177.558 175.800 0.085 0.000 1.168 679 F CA -0.456 57.614 58.000 0.116 0.000 1.135 679 F CB 0.286 39.406 39.000 0.199 0.000 1.480 679 F HN 0.305 nan 8.300 nan 0.000 0.500 680 D N 0.062 120.455 120.400 -0.011 0.000 2.349 680 D HA -0.044 4.596 4.640 -0.001 0.000 0.215 680 D C 1.294 177.491 176.300 -0.172 0.000 1.075 680 D CA 2.923 56.825 54.000 -0.163 0.000 0.934 680 D CB -0.373 40.255 40.800 -0.287 0.000 1.234 680 D HN 0.596 nan 8.370 nan 0.000 0.492 681 G N -2.580 105.965 108.800 -0.425 0.000 4.008 681 G HA2 0.010 3.970 3.960 -0.001 0.000 0.278 681 G HA3 0.010 3.970 3.960 -0.001 0.000 0.278 681 G C 0.174 174.984 174.900 -0.150 0.000 1.021 681 G CA -0.276 44.690 45.100 -0.223 0.000 0.833 681 G HN 0.160 nan 8.290 nan 0.000 0.454 682 Y N 1.972 122.380 120.300 0.180 0.000 2.333 682 Y HA -0.038 4.512 4.550 -0.000 0.000 0.290 682 Y C 1.127 177.107 175.900 0.133 0.000 1.144 682 Y CA 0.997 59.190 58.100 0.155 0.000 1.228 682 Y CB -0.087 38.491 38.460 0.196 0.000 0.985 682 Y HN 0.399 nan 8.280 nan 0.000 0.542 683 N N -1.379 117.475 118.700 0.256 0.000 2.844 683 N HA 0.148 4.888 4.740 -0.001 0.000 0.268 683 N C 0.006 175.612 175.510 0.160 0.000 1.574 683 N CA -0.441 52.711 53.050 0.171 0.000 0.838 683 N CB -0.428 38.130 38.487 0.118 0.000 1.177 683 N HN 0.066 nan 8.380 nan 0.000 0.495 684 F N 1.125 121.089 119.950 0.024 0.000 2.084 684 F HA 0.309 4.836 4.527 -0.001 0.000 0.283 684 F C 1.811 177.613 175.800 0.004 0.000 1.141 684 F CA 1.240 59.241 58.000 0.001 0.000 1.146 684 F CB 0.116 39.106 39.000 -0.017 0.000 1.035 684 F HN 0.299 nan 8.300 nan 0.000 0.485 685 E N -1.108 118.757 120.200 -0.558 0.000 2.099 685 E HA 0.029 4.378 4.350 -0.001 0.000 0.191 685 E C -0.493 175.975 176.600 -0.219 0.000 0.962 685 E CA 0.844 56.877 56.400 -0.611 0.000 0.826 685 E CB 0.490 29.899 29.700 -0.485 0.000 0.788 685 E HN 0.311 nan 8.360 nan 0.000 0.461 686 D N -0.344 120.014 120.400 -0.071 0.000 3.449 686 D HA 0.262 4.901 4.640 -0.001 0.000 0.262 686 D C -1.565 174.750 176.300 0.025 0.000 1.343 686 D CA 0.028 54.014 54.000 -0.024 0.000 0.787 686 D CB 0.827 41.611 40.800 -0.026 0.000 1.412 686 D HN 0.142 nan 8.370 nan 0.000 0.652 687 A N 0.525 123.375 122.820 0.050 0.000 2.356 687 A HA 0.841 5.160 4.320 -0.001 0.000 0.323 687 A C -0.692 176.921 177.584 0.048 0.000 1.119 687 A CA -0.465 51.616 52.037 0.073 0.000 0.790 687 A CB 1.332 20.414 19.000 0.137 0.000 1.273 687 A HN 0.164 nan 8.150 nan 0.000 0.452 688 I N 0.841 121.426 120.570 0.024 0.000 2.545 688 I HA 0.395 4.565 4.170 -0.001 0.000 0.292 688 I C -0.461 175.633 176.117 -0.038 0.000 1.040 688 I CA -0.388 60.901 61.300 -0.019 0.000 1.068 688 I CB 2.227 40.190 38.000 -0.061 0.000 1.251 688 I HN 0.329 nan 8.210 nan 0.000 0.424 689 V N 6.759 126.626 119.914 -0.078 0.000 2.383 689 V HA 0.423 4.542 4.120 -0.001 0.000 0.275 689 V C 0.015 175.989 176.094 -0.199 0.000 1.036 689 V CA -0.570 61.637 62.300 -0.155 0.000 0.889 689 V CB 1.195 32.856 31.823 -0.270 0.000 0.985 689 V HN 0.543 nan 8.190 nan 0.000 0.459 690 I N 4.285 124.742 120.570 -0.188 0.000 2.441 690 I HA 0.520 4.690 4.170 -0.001 0.000 0.295 690 I C 0.481 176.500 176.117 -0.164 0.000 0.994 690 I CA -0.196 60.992 61.300 -0.186 0.000 1.144 690 I CB 1.949 39.840 38.000 -0.181 0.000 1.314 690 I HN 0.691 nan 8.210 nan 0.000 0.445 691 S N 5.288 120.905 115.700 -0.138 0.000 2.474 691 S HA 0.099 4.568 4.470 -0.001 0.000 0.276 691 S C 1.079 175.649 174.600 -0.050 0.000 1.227 691 S CA -0.156 57.989 58.200 -0.091 0.000 1.050 691 S CB 0.952 64.115 63.200 -0.062 0.000 0.939 691 S HN 0.894 nan 8.310 nan 0.000 0.490 692 E N 2.786 122.960 120.200 -0.042 0.000 2.208 692 E HA -0.289 4.061 4.350 -0.001 0.000 0.202 692 E C 1.479 178.088 176.600 0.016 0.000 1.014 692 E CA 1.784 58.174 56.400 -0.017 0.000 0.819 692 E CB -0.095 29.595 29.700 -0.017 0.000 0.735 692 E HN 0.911 nan 8.360 nan 0.000 0.469 693 E N 0.194 120.409 120.200 0.024 0.000 2.219 693 E HA -0.174 4.176 4.350 -0.001 0.000 0.198 693 E C 1.857 178.527 176.600 0.117 0.000 0.998 693 E CA 0.939 57.374 56.400 0.059 0.000 0.818 693 E CB -0.103 29.633 29.700 0.060 0.000 0.741 693 E HN 0.361 nan 8.360 nan 0.000 0.477 694 L N -0.123 121.173 121.223 0.122 0.000 2.291 694 L HA -0.071 4.269 4.340 -0.001 0.000 0.214 694 L C 2.243 179.245 176.870 0.220 0.000 1.120 694 L CA 0.490 55.470 54.840 0.234 0.000 0.799 694 L CB -0.165 41.944 42.059 0.084 0.000 0.925 694 L HN 0.280 nan 8.230 nan 0.000 0.446 695 L N -0.611 120.681 121.223 0.115 0.000 2.307 695 L HA -0.081 4.259 4.340 -0.001 0.000 0.211 695 L C 2.413 179.329 176.870 0.075 0.000 1.099 695 L CA 0.558 55.454 54.840 0.093 0.000 0.816 695 L CB -0.009 42.078 42.059 0.047 0.000 0.952 695 L HN 0.231 nan 8.230 nan 0.000 0.455 696 K N 0.811 121.250 120.400 0.065 0.000 1.969 696 K HA -0.173 4.146 4.320 -0.001 0.000 0.216 696 K C 0.744 177.361 176.600 0.029 0.000 1.048 696 K CA 1.127 57.438 56.287 0.039 0.000 0.948 696 K CB -0.349 32.171 32.500 0.034 0.000 0.726 696 K HN 0.335 nan 8.250 nan 0.000 0.442 697 R N 2.600 123.116 120.500 0.026 0.000 2.296 697 R HA 0.091 4.431 4.340 -0.001 0.000 0.323 697 R C -1.353 174.954 176.300 0.012 0.000 1.067 697 R CA -0.199 55.881 56.100 -0.034 0.000 0.946 697 R CB 0.028 30.238 30.300 -0.150 0.000 0.991 697 R HN 0.004 nan 8.270 nan 0.000 0.448 698 D N 4.061 124.468 120.400 0.012 0.000 2.449 698 D HA -0.069 4.570 4.640 -0.001 0.000 0.278 698 D C -0.105 176.261 176.300 0.110 0.000 1.417 698 D CA 0.549 54.588 54.000 0.065 0.000 1.192 698 D CB -0.152 40.670 40.800 0.036 0.000 1.129 698 D HN 0.570 nan 8.370 nan 0.000 0.539 699 F N 0.393 120.396 119.950 0.088 0.000 2.274 699 F HA 0.061 4.587 4.527 -0.000 0.000 0.288 699 F C 0.405 176.246 175.800 0.069 0.000 1.069 699 F CA 0.081 58.152 58.000 0.119 0.000 1.343 699 F CB 0.514 39.653 39.000 0.232 0.000 1.089 699 F HN 0.171 nan 8.300 nan 0.000 0.517 700 Y N 0.899 121.315 120.300 0.193 0.000 2.863 700 Y HA 0.291 4.840 4.550 -0.001 0.000 0.348 700 Y C -0.639 175.281 175.900 0.033 0.000 1.028 700 Y CA -0.931 57.207 58.100 0.063 0.000 1.213 700 Y CB 0.636 39.085 38.460 -0.018 0.000 1.120 700 Y HN -0.225 nan 8.280 nan 0.000 0.598 701 T N -0.337 114.270 114.554 0.088 0.000 2.886 701 T HA 0.606 4.955 4.350 -0.001 0.000 0.292 701 T C -0.535 174.183 174.700 0.031 0.000 1.012 701 T CA -1.081 61.054 62.100 0.058 0.000 0.982 701 T CB 1.881 70.785 68.868 0.060 0.000 1.018 701 T HN 0.298 nan 8.240 nan 0.000 0.451 702 S N 1.989 117.706 115.700 0.028 0.000 2.538 702 S HA 0.695 5.165 4.470 -0.001 0.000 0.288 702 S C -0.999 173.654 174.600 0.089 0.000 1.108 702 S CA -0.832 57.403 58.200 0.058 0.000 0.971 702 S CB 0.495 63.726 63.200 0.051 0.000 1.041 702 S HN 0.489 nan 8.310 nan 0.000 0.483 703 I N 4.190 124.826 120.570 0.109 0.000 2.371 703 I HA 0.437 4.606 4.170 -0.001 0.000 0.290 703 I C 0.085 176.305 176.117 0.173 0.000 1.028 703 I CA 0.136 61.491 61.300 0.093 0.000 1.345 703 I CB 0.760 38.768 38.000 0.015 0.000 1.407 703 I HN 0.707 nan 8.210 nan 0.000 0.501 704 H N 5.691 124.763 119.070 0.004 0.000 2.572 704 H HA 0.692 5.248 4.556 -0.001 0.000 0.359 704 H C -0.946 174.389 175.328 0.012 0.000 1.134 704 H CA -0.482 55.576 56.048 0.017 0.000 1.187 704 H CB 1.591 31.352 29.762 -0.001 0.000 1.597 704 H HN 0.398 nan 8.280 nan 0.000 0.524 705 I N 2.661 123.180 120.570 -0.086 0.000 2.418 705 I HA 0.244 4.414 4.170 -0.001 0.000 0.287 705 I C -0.547 175.495 176.117 -0.125 0.000 1.008 705 I CA -0.761 60.505 61.300 -0.056 0.000 1.104 705 I CB 1.787 39.765 38.000 -0.036 0.000 1.264 705 I HN 0.442 nan 8.210 nan 0.000 0.438 706 E N 6.030 126.144 120.200 -0.142 0.000 2.171 706 E HA 0.324 4.674 4.350 -0.001 0.000 0.271 706 E C -0.691 175.584 176.600 -0.542 0.000 0.916 706 E CA -0.690 55.489 56.400 -0.369 0.000 0.774 706 E CB 1.444 30.838 29.700 -0.510 0.000 1.128 706 E HN 0.406 nan 8.360 nan 0.000 0.403 707 R N 5.415 125.560 120.500 -0.591 0.000 2.471 707 R HA 0.189 4.529 4.340 -0.001 0.000 0.292 707 R C -0.894 175.159 176.300 -0.412 0.000 1.192 707 R CA -0.461 55.286 56.100 -0.588 0.000 1.257 707 R CB -0.175 29.675 30.300 -0.751 0.000 1.130 707 R HN 0.519 nan 8.270 nan 0.000 0.558 708 Y N 1.311 121.538 120.300 -0.121 0.000 2.397 708 Y HA 0.140 4.690 4.550 -0.000 0.000 0.335 708 Y C 0.624 176.503 175.900 -0.035 0.000 1.213 708 Y CA 0.069 58.132 58.100 -0.062 0.000 1.391 708 Y CB 0.564 39.001 38.460 -0.039 0.000 1.293 708 Y HN 0.457 nan 8.280 nan 0.000 0.557 709 E N 3.111 123.387 120.200 0.125 0.000 2.343 709 E HA 0.639 4.989 4.350 -0.001 0.000 0.278 709 E C -1.977 174.666 176.600 0.072 0.000 0.910 709 E CA -0.787 55.665 56.400 0.087 0.000 0.757 709 E CB 2.235 31.965 29.700 0.051 0.000 1.218 709 E HN 0.733 nan 8.360 nan 0.000 0.435 710 I N 2.103 122.710 120.570 0.062 0.000 2.769 710 I HA 0.434 4.604 4.170 -0.001 0.000 0.298 710 I C -1.541 174.599 176.117 0.038 0.000 1.128 710 I CA -0.545 60.781 61.300 0.044 0.000 1.031 710 I CB 1.985 40.006 38.000 0.036 0.000 1.235 710 I HN 0.617 nan 8.210 nan 0.000 0.423 711 E N 5.119 125.338 120.200 0.031 0.000 2.248 711 E HA 0.520 4.870 4.350 -0.001 0.000 0.267 711 E C -0.969 175.647 176.600 0.027 0.000 0.877 711 E CA -0.991 55.427 56.400 0.029 0.000 0.759 711 E CB 2.126 31.842 29.700 0.026 0.000 1.182 711 E HN 0.636 nan 8.360 nan 0.000 0.418 712 A N 3.934 126.770 122.820 0.027 0.000 2.671 712 A HA 0.150 4.469 4.320 -0.001 0.000 0.306 712 A C 0.269 177.871 177.584 0.030 0.000 1.473 712 A CA -0.075 51.980 52.037 0.030 0.000 1.155 712 A CB -0.198 18.820 19.000 0.029 0.000 1.123 712 A HN 0.519 nan 8.150 nan 0.000 0.545 713 R N 1.361 121.880 120.500 0.031 0.000 2.615 713 R HA 0.163 4.502 4.340 -0.001 0.000 0.270 713 R C -1.106 175.212 176.300 0.030 0.000 1.081 713 R CA -0.432 55.684 56.100 0.027 0.000 1.154 713 R CB 0.547 30.863 30.300 0.026 0.000 1.063 713 R HN 0.598 nan 8.270 nan 0.000 0.519 714 D N 1.906 122.317 120.400 0.018 0.000 2.454 714 D HA 0.115 4.755 4.640 -0.001 0.000 0.225 714 D C -0.553 175.745 176.300 -0.002 0.000 1.081 714 D CA 0.005 54.010 54.000 0.009 0.000 0.864 714 D CB 1.468 42.269 40.800 0.001 0.000 1.040 714 D HN 0.542 nan 8.370 nan 0.000 0.517 715 T N -0.597 113.953 114.554 -0.006 0.000 2.907 715 T HA 0.288 4.637 4.350 -0.001 0.000 0.284 715 T C 1.120 175.776 174.700 -0.074 0.000 1.004 715 T CA -0.787 61.300 62.100 -0.023 0.000 1.063 715 T CB 1.797 70.668 68.868 0.005 0.000 0.992 715 T HN 0.126 nan 8.240 nan 0.000 0.483 716 K N 1.471 121.829 120.400 -0.069 0.000 2.574 716 K HA 0.105 4.424 4.320 -0.001 0.000 0.193 716 K C 1.241 177.749 176.600 -0.154 0.000 1.035 716 K CA 0.504 56.736 56.287 -0.092 0.000 0.982 716 K CB -0.344 32.120 32.500 -0.060 0.000 0.795 716 K HN 0.580 nan 8.250 nan 0.000 0.491 717 L N -0.327 120.776 121.223 -0.200 0.000 2.554 717 L HA 0.171 4.510 4.340 -0.001 0.000 0.225 717 L C 0.658 176.989 176.870 -0.899 0.000 1.104 717 L CA -0.208 54.422 54.840 -0.349 0.000 0.866 717 L CB 0.460 42.432 42.059 -0.145 0.000 1.047 717 L HN 0.206 nan 8.230 nan 0.000 0.468 718 G N 0.117 108.517 108.800 -0.667 0.000 2.326 718 G HA2 0.038 3.998 3.960 -0.001 0.000 0.299 718 G HA3 0.038 3.998 3.960 -0.001 0.000 0.299 718 G C -3.158 171.648 174.900 -0.156 0.000 1.643 718 G CA -1.149 43.490 45.100 -0.768 0.000 0.916 718 G HN -0.308 nan 8.290 nan 0.000 0.700 719 P HA 0.199 nan 4.420 nan 0.000 0.265 719 P C -0.009 177.392 177.300 0.169 0.000 1.193 719 P CA 0.379 63.520 63.100 0.068 0.000 0.765 719 P CB 0.495 32.222 31.700 0.045 0.000 0.823 720 E N 3.190 123.465 120.200 0.125 0.000 2.029 720 E HA 0.071 4.421 4.350 -0.001 0.000 0.276 720 E C 0.195 176.839 176.600 0.073 0.000 1.163 720 E CA -0.111 56.356 56.400 0.111 0.000 0.909 720 E CB 0.166 29.912 29.700 0.075 0.000 1.046 720 E HN 0.230 nan 8.360 nan 0.000 0.406 721 R N 2.393 122.934 120.500 0.069 0.000 2.531 721 R HA 0.354 4.694 4.340 -0.001 0.000 0.273 721 R C 0.204 176.517 176.300 0.021 0.000 1.070 721 R CA -0.475 55.650 56.100 0.042 0.000 1.112 721 R CB 0.909 31.231 30.300 0.038 0.000 1.049 721 R HN 0.525 nan 8.270 nan 0.000 0.508 722 I N 1.586 122.167 120.570 0.018 0.000 2.412 722 I HA 0.190 4.359 4.170 -0.001 0.000 0.279 722 I C -0.885 175.235 176.117 0.006 0.000 1.063 722 I CA 0.204 61.511 61.300 0.011 0.000 1.193 722 I CB 0.955 38.964 38.000 0.015 0.000 1.370 722 I HN 0.524 nan 8.210 nan 0.000 0.479 723 T N 4.282 118.835 114.554 -0.002 0.000 2.812 723 T HA 0.307 4.657 4.350 -0.001 0.000 0.294 723 T C 0.780 175.475 174.700 -0.009 0.000 1.159 723 T CA -0.669 61.429 62.100 -0.004 0.000 1.008 723 T CB 1.993 70.858 68.868 -0.005 0.000 1.289 723 T HN 0.699 nan 8.240 nan 0.000 0.514 724 R N 0.608 121.104 120.500 -0.007 0.000 2.285 724 R HA 0.011 4.351 4.340 -0.001 0.000 0.213 724 R C 0.194 176.487 176.300 -0.012 0.000 1.068 724 R CA 0.700 56.795 56.100 -0.008 0.000 1.004 724 R CB -0.042 30.255 30.300 -0.005 0.000 0.873 724 R HN 0.520 nan 8.270 nan 0.000 0.467 725 D N 0.841 121.231 120.400 -0.016 0.000 2.344 725 D HA 0.017 4.657 4.640 -0.001 0.000 0.253 725 D C -0.789 175.492 176.300 -0.032 0.000 1.255 725 D CA 0.116 54.102 54.000 -0.023 0.000 0.894 725 D CB 0.537 41.320 40.800 -0.029 0.000 1.067 725 D HN 0.110 nan 8.370 nan 0.000 0.492 726 I N 6.540 127.095 120.570 -0.025 0.000 2.417 726 I HA 0.151 4.321 4.170 -0.001 0.000 0.283 726 I C -1.456 174.648 176.117 -0.022 0.000 1.121 726 I CA -1.662 59.622 61.300 -0.027 0.000 1.211 726 I CB 1.240 39.231 38.000 -0.014 0.000 1.492 726 I HN 0.188 nan 8.210 nan 0.000 0.522 727 P HA -0.308 nan 4.420 nan 0.000 0.236 727 P C 1.193 178.491 177.300 -0.004 0.000 1.128 727 P CA 2.068 65.113 63.100 -0.092 0.000 0.971 727 P CB 0.015 31.590 31.700 -0.208 0.000 0.766 728 H N -4.029 115.021 119.070 -0.034 0.000 2.615 728 H HA 0.310 4.866 4.556 -0.001 0.000 0.275 728 H C 1.783 177.098 175.328 -0.021 0.000 0.981 728 H CA 0.259 56.289 56.048 -0.031 0.000 1.252 728 H CB 0.433 30.172 29.762 -0.038 0.000 1.447 728 H HN 0.024 nan 8.280 nan 0.000 0.498 729 L N -0.923 120.355 121.223 0.092 0.000 2.860 729 L HA 0.190 4.530 4.340 -0.001 0.000 0.251 729 L C -0.250 176.633 176.870 0.022 0.000 1.041 729 L CA 0.007 54.868 54.840 0.035 0.000 0.985 729 L CB 1.158 43.221 42.059 0.008 0.000 1.656 729 L HN 0.054 nan 8.230 nan 0.000 0.526 730 S N -2.119 113.592 115.700 0.018 0.000 2.579 730 S HA 0.321 4.791 4.470 -0.001 0.000 0.272 730 S C 0.017 174.622 174.600 0.007 0.000 1.141 730 S CA -0.614 57.593 58.200 0.010 0.000 0.843 730 S CB 2.249 65.452 63.200 0.005 0.000 1.122 730 S HN 0.020 nan 8.310 nan 0.000 0.468 731 E N 1.331 121.534 120.200 0.005 0.000 2.230 731 E HA 0.223 4.572 4.350 -0.001 0.000 0.192 731 E C 1.909 178.509 176.600 -0.000 0.000 0.987 731 E CA 1.286 57.687 56.400 0.003 0.000 0.841 731 E CB -0.525 29.177 29.700 0.003 0.000 0.783 731 E HN 0.780 nan 8.360 nan 0.000 0.481 732 A N 0.518 123.337 122.820 -0.000 0.000 2.019 732 A HA -0.020 4.300 4.320 -0.001 0.000 0.219 732 A C 2.208 179.789 177.584 -0.005 0.000 1.164 732 A CA 1.677 53.712 52.037 -0.003 0.000 0.644 732 A CB -0.582 18.416 19.000 -0.002 0.000 0.805 732 A HN 0.317 nan 8.150 nan 0.000 0.449 733 A N -1.843 120.973 122.820 -0.005 0.000 2.275 733 A HA 0.465 4.784 4.320 -0.001 0.000 0.212 733 A C 1.177 178.755 177.584 -0.011 0.000 1.201 733 A CA 0.348 52.379 52.037 -0.009 0.000 0.843 733 A CB -0.065 18.930 19.000 -0.009 0.000 0.873 733 A HN 0.323 nan 8.150 nan 0.000 0.492 734 L N -0.637 120.582 121.223 -0.008 0.000 2.808 734 L HA 0.256 4.595 4.340 -0.001 0.000 0.246 734 L C 1.933 178.799 176.870 -0.007 0.000 1.153 734 L CA 0.367 55.202 54.840 -0.008 0.000 0.956 734 L CB -0.172 41.884 42.059 -0.005 0.000 1.270 734 L HN 0.286 nan 8.230 nan 0.000 0.528 735 R N -0.141 120.355 120.500 -0.008 0.000 2.070 735 R HA -0.096 4.243 4.340 -0.001 0.000 0.227 735 R C 1.369 177.664 176.300 -0.008 0.000 1.147 735 R CA 1.662 57.758 56.100 -0.007 0.000 0.924 735 R CB -0.583 29.713 30.300 -0.007 0.000 0.827 735 R HN 0.225 nan 8.270 nan 0.000 0.431 736 D N 1.339 121.733 120.400 -0.011 0.000 2.149 736 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 736 D C 1.109 177.402 176.300 -0.012 0.000 1.001 736 D CA 0.924 54.916 54.000 -0.013 0.000 0.849 736 D CB -0.325 40.464 40.800 -0.018 0.000 0.939 736 D HN 0.123 nan 8.370 nan 0.000 0.449 737 L N 1.602 122.817 121.223 -0.013 0.000 2.388 737 L HA -0.040 4.300 4.340 -0.001 0.000 0.252 737 L C 0.692 177.558 176.870 -0.007 0.000 1.357 737 L CA -0.086 54.747 54.840 -0.011 0.000 1.214 737 L CB 0.040 42.091 42.059 -0.013 0.000 1.392 737 L HN -0.208 nan 8.230 nan 0.000 0.432 738 D N 0.587 120.984 120.400 -0.005 0.000 2.146 738 D HA -0.077 4.563 4.640 -0.001 0.000 0.209 738 D C 0.390 176.689 176.300 -0.002 0.000 0.973 738 D CA 0.667 54.665 54.000 -0.004 0.000 0.860 738 D CB 0.347 41.145 40.800 -0.003 0.000 1.015 738 D HN 0.447 nan 8.370 nan 0.000 0.465 739 E N 1.673 121.872 120.200 -0.002 0.000 2.417 739 E HA -0.002 4.348 4.350 -0.001 0.000 0.261 739 E C -0.257 176.343 176.600 0.000 0.000 1.000 739 E CA 0.109 56.509 56.400 -0.000 0.000 0.919 739 E CB 0.345 30.045 29.700 0.001 0.000 0.955 739 E HN 0.194 nan 8.360 nan 0.000 0.455 740 E N 1.306 121.506 120.200 0.001 0.000 2.918 740 E HA 0.028 4.377 4.350 -0.001 0.000 0.232 740 E C 1.019 177.620 176.600 0.001 0.000 1.073 740 E CA 1.599 57.999 56.400 0.001 0.000 0.949 740 E CB -0.445 29.256 29.700 0.002 0.000 0.937 740 E HN 0.823 nan 8.360 nan 0.000 0.536 741 G N 1.621 110.421 108.800 -0.001 0.000 3.400 741 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.209 741 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.209 741 G C 0.287 175.187 174.900 0.000 0.000 1.411 741 G CA -0.236 44.864 45.100 -0.000 0.000 0.917 741 G HN 0.491 nan 8.290 nan 0.000 0.570 742 V N 2.192 122.108 119.914 0.004 0.000 2.924 742 V HA 0.541 4.661 4.120 -0.001 0.000 0.305 742 V C 1.288 177.383 176.094 0.001 0.000 1.073 742 V CA 0.143 62.447 62.300 0.006 0.000 1.098 742 V CB 1.643 33.472 31.823 0.010 0.000 1.000 742 V HN 0.949 nan 8.190 nan 0.000 0.484 743 V N 5.280 125.195 119.914 0.001 0.000 2.607 743 V HA 0.414 4.533 4.120 -0.001 0.000 0.289 743 V C 0.645 176.739 176.094 -0.000 0.000 1.053 743 V CA -0.664 61.633 62.300 -0.004 0.000 0.996 743 V CB 1.246 33.062 31.823 -0.012 0.000 0.995 743 V HN 1.022 nan 8.190 nan 0.000 0.476 744 R N 4.801 125.299 120.500 -0.003 0.000 2.539 744 R HA 0.427 4.767 4.340 -0.001 0.000 0.275 744 R C -0.674 175.626 176.300 -0.001 0.000 1.077 744 R CA -0.673 55.426 56.100 -0.002 0.000 1.097 744 R CB 0.518 30.816 30.300 -0.004 0.000 1.018 744 R HN 0.533 nan 8.270 nan 0.000 0.483 745 I N 1.988 122.557 120.570 -0.000 0.000 2.588 745 I HA 0.150 4.320 4.170 -0.001 0.000 0.283 745 I C 1.336 177.451 176.117 -0.003 0.000 1.119 745 I CA 1.401 62.701 61.300 -0.000 0.000 1.419 745 I CB 1.145 39.143 38.000 -0.004 0.000 1.394 745 I HN 0.998 nan 8.210 nan 0.000 0.562 746 G N 4.333 113.131 108.800 -0.004 0.000 2.132 746 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.228 746 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.228 746 G C 0.155 175.050 174.900 -0.008 0.000 1.000 746 G CA -0.114 44.981 45.100 -0.008 0.000 0.693 746 G HN 1.043 nan 8.290 nan 0.000 0.515 747 A N 0.363 123.179 122.820 -0.007 0.000 2.271 747 A HA 0.675 4.995 4.320 -0.001 0.000 0.317 747 A C 0.505 178.081 177.584 -0.012 0.000 1.245 747 A CA 0.148 52.179 52.037 -0.010 0.000 0.857 747 A CB 0.652 19.646 19.000 -0.011 0.000 1.175 747 A HN 0.701 nan 8.150 nan 0.000 0.512 748 E N 2.861 123.054 120.200 -0.013 0.000 2.341 748 E HA 0.200 4.550 4.350 -0.001 0.000 0.256 748 E C -0.527 176.060 176.600 -0.022 0.000 1.125 748 E CA -0.101 56.291 56.400 -0.014 0.000 0.939 748 E CB 0.172 29.866 29.700 -0.011 0.000 0.991 748 E HN 0.526 nan 8.360 nan 0.000 0.458 749 V N 2.620 122.516 119.914 -0.030 0.000 2.350 749 V HA 0.452 4.572 4.120 -0.001 0.000 0.276 749 V C -0.162 175.900 176.094 -0.053 0.000 1.028 749 V CA -1.043 61.226 62.300 -0.052 0.000 0.860 749 V CB 0.973 32.744 31.823 -0.088 0.000 0.990 749 V HN 0.385 nan 8.190 nan 0.000 0.453 750 K N 5.542 125.914 120.400 -0.046 0.000 2.090 750 K HA 0.618 4.937 4.320 -0.001 0.000 0.249 750 K C -2.739 173.831 176.600 -0.051 0.000 0.995 750 K CA -2.391 53.874 56.287 -0.037 0.000 0.914 750 K CB 0.779 33.266 32.500 -0.022 0.000 1.057 750 K HN 0.456 nan 8.250 nan 0.000 0.462 751 P HA 0.059 nan 4.420 nan 0.000 0.263 751 P C 0.083 177.359 177.300 -0.039 0.000 1.195 751 P CA 0.822 63.896 63.100 -0.044 0.000 0.762 751 P CB 0.451 32.142 31.700 -0.015 0.000 0.799 752 G N 1.670 110.435 108.800 -0.059 0.000 2.159 752 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.227 752 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.227 752 G C -0.031 174.840 174.900 -0.048 0.000 0.986 752 G CA -0.401 44.672 45.100 -0.044 0.000 0.651 752 G HN 0.476 nan 8.290 nan 0.000 0.523 753 D N 0.149 120.510 120.400 -0.065 0.000 2.294 753 D HA 0.482 5.122 4.640 -0.001 0.000 0.250 753 D C 1.146 177.403 176.300 -0.072 0.000 1.058 753 D CA -0.363 53.601 54.000 -0.059 0.000 0.950 753 D CB 0.826 41.590 40.800 -0.059 0.000 1.158 753 D HN 0.187 nan 8.370 nan 0.000 0.453 754 I N 2.678 123.215 120.570 -0.056 0.000 2.379 754 I HA 0.017 4.187 4.170 -0.001 0.000 0.290 754 I C 1.510 177.588 176.117 -0.066 0.000 1.063 754 I CA -0.087 61.179 61.300 -0.057 0.000 1.351 754 I CB 0.988 38.966 38.000 -0.037 0.000 1.410 754 I HN 0.267 nan 8.210 nan 0.000 0.505 755 L N 6.773 127.944 121.223 -0.087 0.000 2.127 755 L HA 0.121 4.461 4.340 -0.001 0.000 0.203 755 L C 0.187 177.034 176.870 -0.040 0.000 1.080 755 L CA 0.952 55.741 54.840 -0.085 0.000 0.768 755 L CB 0.350 42.322 42.059 -0.145 0.000 0.924 755 L HN 0.384 nan 8.230 nan 0.000 0.444 756 V N -0.970 118.925 119.914 -0.031 0.000 2.851 756 V HA 0.498 4.618 4.120 -0.001 0.000 0.307 756 V C -0.042 176.044 176.094 -0.014 0.000 1.129 756 V CA -0.792 61.501 62.300 -0.012 0.000 0.932 756 V CB 1.589 33.415 31.823 0.006 0.000 1.024 756 V HN 0.123 nan 8.190 nan 0.000 0.426 757 G N 2.639 111.432 108.800 -0.011 0.000 2.451 757 G HA2 0.786 4.745 3.960 -0.001 0.000 0.303 757 G HA3 0.786 4.745 3.960 -0.001 0.000 0.303 757 G C -0.708 174.186 174.900 -0.010 0.000 1.166 757 G CA -0.471 44.621 45.100 -0.015 0.000 0.884 757 G HN 0.809 nan 8.290 nan 0.000 0.514 758 R N -0.675 119.815 120.500 -0.016 0.000 2.664 758 R HA 0.513 4.853 4.340 -0.001 0.000 0.260 758 R C -1.561 174.722 176.300 -0.028 0.000 1.062 758 R CA -0.556 55.537 56.100 -0.012 0.000 0.902 758 R CB 1.647 31.948 30.300 0.000 0.000 1.258 758 R HN 0.750 nan 8.270 nan 0.000 0.465 759 T N 0.261 114.796 114.554 -0.031 0.000 2.937 759 T HA 0.484 4.834 4.350 -0.001 0.000 0.297 759 T C -0.183 174.481 174.700 -0.059 0.000 0.991 759 T CA -0.604 61.451 62.100 -0.076 0.000 0.990 759 T CB 1.467 70.264 68.868 -0.119 0.000 0.991 759 T HN 0.619 nan 8.240 nan 0.000 0.440 760 S N 2.206 117.868 115.700 -0.063 0.000 2.753 760 S HA 0.875 5.344 4.470 -0.001 0.000 0.302 760 S C -0.799 173.743 174.600 -0.098 0.000 1.104 760 S CA -0.935 57.297 58.200 0.055 0.000 0.968 760 S CB 0.530 63.787 63.200 0.095 0.000 1.278 760 S HN 0.483 nan 8.310 nan 0.000 0.549 761 F N 0.986 120.926 119.950 -0.018 0.000 2.425 761 F HA 0.611 5.138 4.527 -0.001 0.000 0.331 761 F C 1.415 177.204 175.800 -0.019 0.000 1.085 761 F CA -1.019 56.970 58.000 -0.019 0.000 1.028 761 F CB 1.410 40.402 39.000 -0.014 0.000 1.177 761 F HN 0.556 nan 8.300 nan 0.000 0.487 762 K N 1.747 122.173 120.400 0.043 0.000 1.978 762 K HA 0.028 4.348 4.320 -0.001 0.000 0.214 762 K C 1.138 177.768 176.600 0.049 0.000 1.049 762 K CA 1.374 57.669 56.287 0.014 0.000 0.939 762 K CB -0.647 31.843 32.500 -0.016 0.000 0.721 762 K HN 0.811 nan 8.250 nan 0.000 0.441 763 G N -0.766 108.077 108.800 0.072 0.000 2.532 763 G HA2 0.122 4.082 3.960 -0.001 0.000 0.291 763 G HA3 0.122 4.082 3.960 -0.001 0.000 0.291 763 G C 0.231 175.165 174.900 0.057 0.000 1.349 763 G CA -0.373 44.759 45.100 0.054 0.000 1.038 763 G HN 0.117 nan 8.290 nan 0.000 0.518 764 E N -0.771 119.452 120.200 0.038 0.000 2.086 764 E HA -0.027 4.323 4.350 -0.001 0.000 0.190 764 E C 2.121 178.734 176.600 0.022 0.000 0.975 764 E CA 1.727 58.144 56.400 0.028 0.000 0.813 764 E CB 0.231 29.942 29.700 0.018 0.000 0.768 764 E HN 0.454 nan 8.360 nan 0.000 0.457 765 S N -0.616 115.097 115.700 0.021 0.000 2.699 765 S HA 0.043 4.513 4.470 -0.001 0.000 0.277 765 S C 0.268 174.880 174.600 0.019 0.000 1.062 765 S CA -0.377 57.830 58.200 0.012 0.000 1.116 765 S CB 0.518 63.720 63.200 0.004 0.000 0.977 765 S HN 0.114 nan 8.310 nan 0.000 0.498 766 E N 2.280 122.495 120.200 0.024 0.000 2.263 766 E HA 0.823 5.173 4.350 -0.001 0.000 0.264 766 E C -2.991 173.629 176.600 0.033 0.000 0.923 766 E CA -1.948 54.467 56.400 0.025 0.000 0.802 766 E CB -0.270 29.440 29.700 0.018 0.000 1.228 766 E HN 0.006 nan 8.360 nan 0.000 0.417 767 P HA 0.328 nan 4.420 nan 0.000 0.318 767 P C -0.759 176.555 177.300 0.024 0.000 1.309 767 P CA -0.586 62.534 63.100 0.033 0.000 0.736 767 P CB 0.428 32.148 31.700 0.033 0.000 1.440 768 T N -0.076 114.490 114.554 0.020 0.000 2.841 768 T HA 0.299 4.649 4.350 -0.001 0.000 0.285 768 T C -2.161 172.548 174.700 0.016 0.000 0.991 768 T CA -0.973 61.137 62.100 0.017 0.000 0.966 768 T CB 1.446 70.323 68.868 0.014 0.000 0.962 768 T HN 0.141 nan 8.240 nan 0.000 0.438 769 P HA -0.043 nan 4.420 nan 0.000 0.217 769 P C 1.323 178.631 177.300 0.014 0.000 1.150 769 P CA 0.847 63.956 63.100 0.014 0.000 0.832 769 P CB 0.365 32.072 31.700 0.013 0.000 0.787 770 E N -0.513 119.694 120.200 0.012 0.000 2.250 770 E HA -0.098 4.252 4.350 -0.001 0.000 0.192 770 E C 1.806 178.411 176.600 0.007 0.000 0.986 770 E CA 0.541 56.947 56.400 0.010 0.000 0.849 770 E CB -0.288 29.417 29.700 0.008 0.000 0.797 770 E HN 0.459 nan 8.360 nan 0.000 0.482 771 E N 1.361 121.566 120.200 0.008 0.000 2.371 771 E HA -0.113 4.237 4.350 -0.001 0.000 0.194 771 E C 2.044 178.651 176.600 0.011 0.000 1.012 771 E CA 0.168 56.572 56.400 0.006 0.000 0.860 771 E CB 0.224 29.929 29.700 0.009 0.000 0.811 771 E HN -0.085 nan 8.360 nan 0.000 0.502 772 R N 0.429 120.938 120.500 0.015 0.000 2.090 772 R HA 0.003 4.343 4.340 -0.001 0.000 0.228 772 R C 2.102 178.417 176.300 0.026 0.000 1.110 772 R CA 1.045 57.157 56.100 0.020 0.000 0.973 772 R CB -0.303 30.010 30.300 0.020 0.000 0.869 772 R HN 0.216 nan 8.270 nan 0.000 0.440 773 L N -0.076 121.162 121.223 0.024 0.000 2.044 773 L HA -0.072 4.268 4.340 -0.001 0.000 0.205 773 L C 2.171 179.066 176.870 0.041 0.000 1.075 773 L CA 0.732 55.592 54.840 0.033 0.000 0.747 773 L CB -0.602 41.475 42.059 0.029 0.000 0.903 773 L HN 0.233 nan 8.230 nan 0.000 0.435 774 L N -0.223 121.009 121.223 0.016 0.000 2.012 774 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 774 L C 2.817 179.687 176.870 -0.000 0.000 1.073 774 L CA 1.695 56.524 54.840 -0.019 0.000 0.748 774 L CB -0.591 41.422 42.059 -0.076 0.000 0.891 774 L HN 0.085 nan 8.230 nan 0.000 0.431 775 R N -0.167 120.343 120.500 0.016 0.000 2.094 775 R HA -0.119 4.220 4.340 -0.001 0.000 0.239 775 R C 2.366 178.715 176.300 0.082 0.000 1.137 775 R CA 1.708 57.834 56.100 0.043 0.000 0.943 775 R CB -1.416 28.906 30.300 0.038 0.000 0.850 775 R HN 0.461 nan 8.270 nan 0.000 0.433 776 S N 1.068 116.812 115.700 0.073 0.000 2.383 776 S HA -0.083 4.386 4.470 -0.001 0.000 0.229 776 S C 2.092 176.760 174.600 0.113 0.000 1.030 776 S CA 1.064 59.311 58.200 0.078 0.000 1.002 776 S CB -0.239 62.994 63.200 0.056 0.000 0.829 776 S HN 0.233 nan 8.310 nan 0.000 0.467 777 I N 0.077 120.744 120.570 0.163 0.000 2.127 777 I HA -0.199 3.971 4.170 -0.001 0.000 0.241 777 I C 1.812 178.099 176.117 0.284 0.000 1.075 777 I CA 1.534 62.972 61.300 0.231 0.000 1.334 777 I CB -0.317 37.891 38.000 0.347 0.000 1.040 777 I HN 0.245 nan 8.210 nan 0.000 0.405 778 F N 0.198 120.151 119.950 0.006 0.000 2.446 778 F HA 0.291 4.817 4.527 -0.000 0.000 0.292 778 F C 1.205 177.010 175.800 0.008 0.000 1.096 778 F CA 0.222 58.224 58.000 0.003 0.000 1.438 778 F CB -0.111 38.888 39.000 -0.002 0.000 1.107 778 F HN 0.007 nan 8.300 nan 0.000 0.546 779 G N 0.214 109.142 108.800 0.214 0.000 3.288 779 G HA2 0.229 4.189 3.960 -0.001 0.000 0.285 779 G HA3 0.229 4.189 3.960 -0.001 0.000 0.285 779 G C 0.351 175.306 174.900 0.092 0.000 3.680 779 G CA -0.266 44.908 45.100 0.123 0.000 0.508 779 G HN 0.212 nan 8.290 nan 0.000 0.300 780 E N 1.410 121.654 120.200 0.073 0.000 2.086 780 E HA -0.257 4.092 4.350 -0.001 0.000 0.200 780 E C 1.303 177.928 176.600 0.041 0.000 1.012 780 E CA 1.496 57.928 56.400 0.053 0.000 0.812 780 E CB -0.347 29.378 29.700 0.043 0.000 0.743 780 E HN 0.600 nan 8.360 nan 0.000 0.453 781 K N 1.342 121.765 120.400 0.038 0.000 2.081 781 K HA 0.415 4.735 4.320 -0.001 0.000 0.230 781 K C -0.702 175.914 176.600 0.026 0.000 1.199 781 K CA 0.176 56.480 56.287 0.027 0.000 1.130 781 K CB 0.477 32.992 32.500 0.025 0.000 1.386 781 K HN 0.206 nan 8.250 nan 0.000 0.280 782 A N 2.851 125.682 122.820 0.019 0.000 2.318 782 A HA 0.335 4.654 4.320 -0.001 0.000 0.324 782 A C -0.403 177.158 177.584 -0.038 0.000 1.170 782 A CA -1.010 51.031 52.037 0.007 0.000 0.810 782 A CB 0.694 19.713 19.000 0.032 0.000 1.198 782 A HN 0.710 nan 8.150 nan 0.000 0.484 783 R N 1.811 122.272 120.500 -0.065 0.000 2.488 783 R HA -0.046 4.294 4.340 -0.001 0.000 0.317 783 R C 0.126 176.328 176.300 -0.163 0.000 0.941 783 R CA 0.086 56.123 56.100 -0.105 0.000 1.076 783 R CB 0.181 30.412 30.300 -0.115 0.000 0.917 783 R HN 0.838 nan 8.270 nan 0.000 0.407 784 D N 2.005 122.314 120.400 -0.151 0.000 2.309 784 D HA -0.100 4.539 4.640 -0.001 0.000 0.212 784 D C 0.320 176.415 176.300 -0.342 0.000 0.968 784 D CA 0.713 54.607 54.000 -0.176 0.000 0.882 784 D CB 0.359 41.108 40.800 -0.084 0.000 0.918 784 D HN 0.181 nan 8.370 nan 0.000 0.503 785 V N 1.183 120.827 119.914 -0.449 0.000 2.740 785 V HA -0.025 4.095 4.120 -0.001 0.000 0.303 785 V C 0.312 176.183 176.094 -0.373 0.000 1.054 785 V CA 0.087 62.025 62.300 -0.603 0.000 1.106 785 V CB 1.304 32.819 31.823 -0.515 0.000 0.957 785 V HN -0.072 nan 8.190 nan 0.000 0.486 786 K N 4.871 125.078 120.400 -0.322 0.000 2.123 786 K HA 0.253 4.572 4.320 -0.001 0.000 0.259 786 K C -0.165 176.347 176.600 -0.146 0.000 0.960 786 K CA -0.708 55.460 56.287 -0.198 0.000 0.872 786 K CB 0.971 33.394 32.500 -0.129 0.000 1.079 786 K HN 0.830 nan 8.250 nan 0.000 0.440 787 D N 3.150 123.481 120.400 -0.116 0.000 2.338 787 D HA 0.007 4.647 4.640 -0.001 0.000 0.255 787 D C -0.964 175.307 176.300 -0.049 0.000 1.237 787 D CA 0.119 54.074 54.000 -0.076 0.000 0.883 787 D CB 0.624 41.390 40.800 -0.058 0.000 1.087 787 D HN 0.609 nan 8.370 nan 0.000 0.485 788 T N 0.483 115.014 114.554 -0.040 0.000 3.327 788 T HA 0.378 4.728 4.350 -0.001 0.000 0.373 788 T C -0.446 174.243 174.700 -0.018 0.000 1.589 788 T CA -0.821 61.266 62.100 -0.023 0.000 1.497 788 T CB 0.270 69.131 68.868 -0.012 0.000 1.032 788 T HN 0.072 nan 8.240 nan 0.000 0.640 789 S N 2.528 118.215 115.700 -0.022 0.000 2.472 789 S HA 0.549 5.019 4.470 -0.001 0.000 0.303 789 S C -0.042 174.544 174.600 -0.023 0.000 1.099 789 S CA -0.934 57.254 58.200 -0.020 0.000 1.077 789 S CB 1.338 64.523 63.200 -0.025 0.000 1.031 789 S HN 0.780 nan 8.310 nan 0.000 0.487 790 L N 4.434 125.646 121.223 -0.018 0.000 2.654 790 L HA 0.161 4.500 4.340 -0.001 0.000 0.271 790 L C 0.219 177.055 176.870 -0.056 0.000 1.169 790 L CA 0.963 55.789 54.840 -0.023 0.000 0.947 790 L CB -0.314 41.742 42.059 -0.005 0.000 1.232 790 L HN 0.570 nan 8.230 nan 0.000 0.486 791 R N 2.988 123.446 120.500 -0.070 0.000 2.782 791 R HA 0.607 4.947 4.340 -0.001 0.000 0.258 791 R C -0.934 175.265 176.300 -0.168 0.000 1.055 791 R CA -1.213 54.827 56.100 -0.100 0.000 1.065 791 R CB 1.453 31.709 30.300 -0.073 0.000 1.172 791 R HN 0.437 nan 8.270 nan 0.000 0.510 792 V N 3.440 123.237 119.914 -0.196 0.000 2.415 792 V HA 0.118 4.238 4.120 -0.001 0.000 0.267 792 V C -2.059 173.927 176.094 -0.179 0.000 1.042 792 V CA -1.384 60.747 62.300 -0.282 0.000 1.000 792 V CB 0.353 32.035 31.823 -0.235 0.000 1.015 792 V HN 0.585 nan 8.190 nan 0.000 0.478 793 P HA 0.208 nan 4.420 nan 0.000 0.269 793 P C -2.494 174.729 177.300 -0.129 0.000 1.209 793 P CA -1.135 61.902 63.100 -0.105 0.000 0.776 793 P CB -0.140 31.544 31.700 -0.028 0.000 0.876 794 P HA 0.095 nan 4.420 nan 0.000 0.264 794 P C 0.839 178.041 177.300 -0.164 0.000 1.179 794 P CA 1.382 64.368 63.100 -0.190 0.000 0.763 794 P CB 0.121 31.585 31.700 -0.394 0.000 0.806 795 G N 1.404 110.174 108.800 -0.050 0.000 2.344 795 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.215 795 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.215 795 G C -0.971 173.923 174.900 -0.009 0.000 1.293 795 G CA -0.353 44.725 45.100 -0.036 0.000 1.305 795 G HN 0.548 nan 8.290 nan 0.000 0.484 796 E N -0.286 119.920 120.200 0.010 0.000 2.407 796 E HA 0.551 4.900 4.350 -0.001 0.000 0.279 796 E C -0.473 176.168 176.600 0.068 0.000 1.012 796 E CA -0.025 56.388 56.400 0.023 0.000 0.800 796 E CB 1.922 31.634 29.700 0.021 0.000 1.276 796 E HN 1.062 nan 8.360 nan 0.000 0.452 797 G N -0.594 108.224 108.800 0.029 0.000 2.730 797 G HA2 0.745 4.704 3.960 -0.001 0.000 0.289 797 G HA3 0.745 4.704 3.960 -0.001 0.000 0.289 797 G C -0.385 174.537 174.900 0.036 0.000 1.341 797 G CA 0.100 45.220 45.100 0.033 0.000 0.932 797 G HN 0.501 nan 8.290 nan 0.000 0.481 798 G N -1.308 107.518 108.800 0.045 0.000 3.382 798 G HA2 0.499 4.459 3.960 -0.001 0.000 0.183 798 G HA3 0.499 4.459 3.960 -0.001 0.000 0.183 798 G C -0.641 174.267 174.900 0.013 0.000 1.246 798 G CA -0.518 44.599 45.100 0.029 0.000 0.828 798 G HN 0.580 nan 8.290 nan 0.000 0.728 799 I N 1.723 122.300 120.570 0.012 0.000 2.437 799 I HA 0.395 4.565 4.170 -0.001 0.000 0.298 799 I C -0.044 176.083 176.117 0.018 0.000 0.984 799 I CA -0.675 60.627 61.300 0.003 0.000 1.214 799 I CB 1.500 39.493 38.000 -0.013 0.000 1.365 799 I HN -0.013 nan 8.210 nan 0.000 0.469 800 V N 6.130 126.054 119.914 0.016 0.000 2.455 800 V HA 0.106 4.225 4.120 -0.001 0.000 0.273 800 V C 1.098 177.208 176.094 0.026 0.000 1.045 800 V CA -0.337 61.985 62.300 0.037 0.000 0.976 800 V CB 1.036 32.877 31.823 0.029 0.000 0.993 800 V HN 0.727 nan 8.190 nan 0.000 0.475 801 V N 1.781 121.719 119.914 0.039 0.000 3.212 801 V HA 0.400 4.519 4.120 -0.001 0.000 0.244 801 V C 0.748 176.840 176.094 -0.003 0.000 1.151 801 V CA 0.332 62.636 62.300 0.007 0.000 1.119 801 V CB -0.149 31.666 31.823 -0.013 0.000 0.838 801 V HN 0.797 nan 8.190 nan 0.000 0.470 802 R N 0.726 121.237 120.500 0.017 0.000 2.740 802 R HA 0.646 4.986 4.340 -0.001 0.000 0.273 802 R C -1.548 174.729 176.300 -0.037 0.000 0.998 802 R CA 0.310 56.369 56.100 -0.069 0.000 0.900 802 R CB 2.420 32.588 30.300 -0.220 0.000 1.223 802 R HN 0.433 nan 8.270 nan 0.000 0.466 803 T N -0.281 114.227 114.554 -0.077 0.000 2.916 803 T HA 0.576 4.926 4.350 -0.001 0.000 0.305 803 T C -1.028 173.635 174.700 -0.061 0.000 1.119 803 T CA -0.749 61.338 62.100 -0.021 0.000 1.008 803 T CB 1.908 70.783 68.868 0.012 0.000 1.129 803 T HN 0.236 nan 8.240 nan 0.000 0.480 804 V N 1.873 121.776 119.914 -0.017 0.000 2.577 804 V HA 0.736 4.855 4.120 -0.001 0.000 0.303 804 V C -0.369 175.736 176.094 0.018 0.000 1.042 804 V CA -0.842 61.446 62.300 -0.021 0.000 0.872 804 V CB 1.856 33.658 31.823 -0.036 0.000 0.998 804 V HN 0.944 nan 8.190 nan 0.000 0.423 805 R N 4.485 124.991 120.500 0.009 0.000 2.514 805 R HA 0.594 4.934 4.340 -0.001 0.000 0.296 805 R C -1.828 174.481 176.300 0.014 0.000 1.012 805 R CA -0.624 55.487 56.100 0.018 0.000 0.897 805 R CB 1.767 32.077 30.300 0.016 0.000 1.184 805 R HN 0.753 nan 8.270 nan 0.000 0.440 806 L N 6.252 127.486 121.223 0.018 0.000 2.277 806 L HA 0.503 4.843 4.340 -0.001 0.000 0.284 806 L C 0.789 177.669 176.870 0.016 0.000 1.028 806 L CA -0.724 54.125 54.840 0.015 0.000 0.835 806 L CB 1.013 43.080 42.059 0.014 0.000 1.215 806 L HN 0.464 nan 8.230 nan 0.000 0.425 807 R N 2.005 122.514 120.500 0.015 0.000 2.523 807 R HA 0.470 4.810 4.340 -0.001 0.000 0.223 807 R C 0.944 177.253 176.300 0.016 0.000 1.280 807 R CA -0.884 55.226 56.100 0.016 0.000 1.047 807 R CB 0.484 30.794 30.300 0.015 0.000 1.650 807 R HN 0.395 nan 8.270 nan 0.000 0.545 808 R N 0.328 120.837 120.500 0.016 0.000 2.132 808 R HA -0.125 4.215 4.340 -0.001 0.000 0.233 808 R C 1.379 177.690 176.300 0.018 0.000 1.125 808 R CA 1.862 57.971 56.100 0.016 0.000 0.914 808 R CB -1.029 29.280 30.300 0.016 0.000 0.845 808 R HN 0.754 nan 8.270 nan 0.000 0.431 809 G N 2.819 111.630 108.800 0.019 0.000 3.008 809 G HA2 0.001 3.961 3.960 -0.001 0.000 0.272 809 G HA3 0.001 3.961 3.960 -0.001 0.000 0.272 809 G C -0.713 174.202 174.900 0.026 0.000 0.764 809 G CA -0.370 44.744 45.100 0.022 0.000 2.029 809 G HN 0.215 nan 8.290 nan 0.000 0.587 810 D N 2.271 122.686 120.400 0.025 0.000 2.520 810 D HA -0.005 4.635 4.640 -0.001 0.000 0.243 810 D C -0.867 175.458 176.300 0.042 0.000 1.160 810 D CA -0.452 53.564 54.000 0.026 0.000 0.877 810 D CB 1.740 42.552 40.800 0.018 0.000 1.150 810 D HN 0.191 nan 8.370 nan 0.000 0.494 811 P HA -0.020 nan 4.420 nan 0.000 0.213 811 P C 0.823 178.196 177.300 0.121 0.000 1.170 811 P CA 0.928 64.071 63.100 0.072 0.000 0.893 811 P CB 0.399 32.138 31.700 0.065 0.000 0.784 812 G N -1.707 107.165 108.800 0.120 0.000 5.580 812 G HA2 0.268 4.228 3.960 -0.001 0.000 0.197 812 G HA3 0.268 4.228 3.960 -0.001 0.000 0.197 812 G C -1.010 173.815 174.900 -0.126 0.000 0.741 812 G CA -0.117 45.107 45.100 0.207 0.000 0.692 812 G HN 0.315 nan 8.290 nan 0.000 0.300 813 V N 0.834 120.693 119.914 -0.091 0.000 2.834 813 V HA 0.723 4.842 4.120 -0.001 0.000 0.313 813 V C -0.620 175.402 176.094 -0.120 0.000 1.060 813 V CA -0.937 61.276 62.300 -0.144 0.000 0.989 813 V CB 1.768 33.554 31.823 -0.062 0.000 1.041 813 V HN 0.417 nan 8.190 nan 0.000 0.459 814 E N 5.349 125.473 120.200 -0.127 0.000 2.070 814 E HA 0.363 4.712 4.350 -0.001 0.000 0.261 814 E C -1.192 175.384 176.600 -0.040 0.000 0.926 814 E CA -0.705 55.648 56.400 -0.079 0.000 0.760 814 E CB 1.477 31.123 29.700 -0.090 0.000 1.133 814 E HN 0.378 nan 8.360 nan 0.000 0.420 815 L N 3.432 124.642 121.223 -0.022 0.000 2.290 815 L HA 0.189 4.528 4.340 -0.001 0.000 0.284 815 L C 0.175 177.043 176.870 -0.002 0.000 1.078 815 L CA 0.011 54.847 54.840 -0.007 0.000 0.815 815 L CB 0.657 42.716 42.059 0.000 0.000 1.162 815 L HN 0.366 nan 8.230 nan 0.000 0.435 816 K N 4.771 125.172 120.400 0.002 0.000 2.230 816 K HA 0.237 4.557 4.320 -0.001 0.000 0.253 816 K C -2.241 174.362 176.600 0.005 0.000 1.008 816 K CA -1.380 54.909 56.287 0.003 0.000 0.910 816 K CB -0.294 32.210 32.500 0.007 0.000 0.994 816 K HN 0.384 nan 8.250 nan 0.000 0.495 817 P HA -0.009 nan 4.420 nan 0.000 0.271 817 P C 0.620 177.923 177.300 0.005 0.000 1.218 817 P CA 0.688 63.790 63.100 0.004 0.000 0.780 817 P CB 0.803 32.505 31.700 0.003 0.000 0.901 818 G N 1.026 109.829 108.800 0.005 0.000 2.458 818 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.237 818 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.237 818 G C 0.168 175.074 174.900 0.009 0.000 1.113 818 G CA 0.143 45.247 45.100 0.005 0.000 0.655 818 G HN 0.534 nan 8.290 nan 0.000 0.513 819 V N 3.395 123.315 119.914 0.010 0.000 2.416 819 V HA 0.153 4.272 4.120 -0.001 0.000 0.267 819 V C 1.905 178.007 176.094 0.014 0.000 1.007 819 V CA 1.281 63.589 62.300 0.013 0.000 1.102 819 V CB 0.710 32.541 31.823 0.013 0.000 1.035 819 V HN 0.560 nan 8.190 nan 0.000 0.473 820 R N 4.039 124.548 120.500 0.016 0.000 2.061 820 R HA -0.051 4.288 4.340 -0.001 0.000 0.230 820 R C 0.680 176.990 176.300 0.017 0.000 1.140 820 R CA 1.693 57.803 56.100 0.016 0.000 0.940 820 R CB 0.402 30.714 30.300 0.020 0.000 0.839 820 R HN 0.928 nan 8.270 nan 0.000 0.429 821 E N -0.774 119.438 120.200 0.020 0.000 2.407 821 E HA 0.354 4.704 4.350 -0.001 0.000 0.279 821 E C -1.121 175.494 176.600 0.024 0.000 1.012 821 E CA -1.009 55.403 56.400 0.020 0.000 0.800 821 E CB 1.884 31.596 29.700 0.021 0.000 1.276 821 E HN 0.023 nan 8.360 nan 0.000 0.452 822 V N -1.413 118.516 119.914 0.026 0.000 3.019 822 V HA 0.865 4.985 4.120 -0.001 0.000 0.317 822 V C -0.813 175.305 176.094 0.040 0.000 1.094 822 V CA -0.750 61.570 62.300 0.034 0.000 1.000 822 V CB 1.800 33.644 31.823 0.036 0.000 1.060 822 V HN 0.557 nan 8.190 nan 0.000 0.443 823 V N 2.657 122.602 119.914 0.052 0.000 2.559 823 V HA 0.510 4.630 4.120 -0.001 0.000 0.289 823 V C -0.128 176.022 176.094 0.094 0.000 1.036 823 V CA -0.421 61.916 62.300 0.062 0.000 0.887 823 V CB 1.501 33.353 31.823 0.049 0.000 1.022 823 V HN 0.981 nan 8.190 nan 0.000 0.442 824 R N 2.781 123.358 120.500 0.129 0.000 2.368 824 R HA 0.806 5.146 4.340 -0.001 0.000 0.302 824 R C -1.174 175.285 176.300 0.266 0.000 1.002 824 R CA -0.462 55.772 56.100 0.222 0.000 0.929 824 R CB 2.026 32.546 30.300 0.366 0.000 1.073 824 R HN 0.494 nan 8.270 nan 0.000 0.464 825 V N 4.638 124.730 119.914 0.296 0.000 2.419 825 V HA 0.235 4.355 4.120 -0.001 0.000 0.287 825 V C -1.229 175.084 176.094 0.365 0.000 1.017 825 V CA -0.947 61.532 62.300 0.297 0.000 0.844 825 V CB 1.019 32.950 31.823 0.179 0.000 1.011 825 V HN 0.615 nan 8.190 nan 0.000 0.429 826 Y N 3.459 123.803 120.300 0.074 0.000 2.404 826 Y HA 0.529 5.079 4.550 -0.000 0.000 0.344 826 Y C 0.296 176.244 175.900 0.080 0.000 0.995 826 Y CA -0.730 57.408 58.100 0.063 0.000 1.201 826 Y CB 1.480 39.947 38.460 0.012 0.000 1.151 826 Y HN 0.376 nan 8.280 nan 0.000 0.517 827 V N 3.639 123.679 119.914 0.210 0.000 2.513 827 V HA 0.851 4.971 4.120 -0.001 0.000 0.299 827 V C -0.138 176.029 176.094 0.121 0.000 1.035 827 V CA -0.859 61.553 62.300 0.187 0.000 0.889 827 V CB 1.510 33.522 31.823 0.315 0.000 0.988 827 V HN 0.853 nan 8.190 nan 0.000 0.440 828 A N 5.031 127.895 122.820 0.073 0.000 2.380 828 A HA 0.957 5.276 4.320 -0.001 0.000 0.315 828 A C -0.836 176.769 177.584 0.035 0.000 1.101 828 A CA -0.643 51.416 52.037 0.037 0.000 0.771 828 A CB 1.808 20.791 19.000 -0.030 0.000 1.287 828 A HN 0.883 nan 8.150 nan 0.000 0.436 829 Q N 1.215 121.043 119.800 0.048 0.000 2.327 829 Q HA 0.399 4.739 4.340 -0.001 0.000 0.265 829 Q C -1.525 174.496 176.000 0.034 0.000 0.993 829 Q CA -0.848 54.976 55.803 0.036 0.000 0.885 829 Q CB 1.463 30.229 28.738 0.047 0.000 1.379 829 Q HN 0.549 nan 8.270 nan 0.000 0.408 830 K N 2.313 122.720 120.400 0.012 0.000 2.416 830 K HA 0.176 4.496 4.320 -0.001 0.000 0.283 830 K C -0.409 176.193 176.600 0.004 0.000 1.037 830 K CA -0.111 56.183 56.287 0.012 0.000 0.995 830 K CB 0.644 33.147 32.500 0.006 0.000 0.938 830 K HN 0.476 nan 8.250 nan 0.000 0.475 831 R N 4.302 124.798 120.500 -0.007 0.000 2.522 831 R HA 0.124 4.464 4.340 -0.001 0.000 0.290 831 R C -0.255 176.028 176.300 -0.029 0.000 1.216 831 R CA -0.369 55.703 56.100 -0.047 0.000 1.250 831 R CB 0.524 30.742 30.300 -0.136 0.000 1.143 831 R HN 0.375 nan 8.270 nan 0.000 0.553 832 K N 1.342 121.739 120.400 -0.005 0.000 2.355 832 K HA 0.033 4.352 4.320 -0.001 0.000 0.270 832 K C 0.253 176.854 176.600 0.001 0.000 1.003 832 K CA -0.499 55.799 56.287 0.018 0.000 0.957 832 K CB 0.586 33.099 32.500 0.023 0.000 0.939 832 K HN 0.099 nan 8.250 nan 0.000 0.482 833 L N 3.753 124.993 121.223 0.029 0.000 2.477 833 L HA -0.052 4.287 4.340 -0.001 0.000 0.272 833 L C 0.030 176.886 176.870 -0.023 0.000 1.157 833 L CA 0.887 55.722 54.840 -0.008 0.000 0.889 833 L CB -0.108 41.947 42.059 -0.006 0.000 1.158 833 L HN 0.625 nan 8.230 nan 0.000 0.473 834 Q N 2.879 122.665 119.800 -0.023 0.000 2.572 834 Q HA 0.390 4.730 4.340 -0.001 0.000 0.284 834 Q C 0.458 176.457 176.000 -0.001 0.000 1.091 834 Q CA -0.833 54.966 55.803 -0.006 0.000 0.840 834 Q CB 1.066 29.813 28.738 0.014 0.000 1.433 834 Q HN 0.257 nan 8.270 nan 0.000 0.471 835 V N 1.088 121.003 119.914 0.002 0.000 2.392 835 V HA -0.171 3.948 4.120 -0.001 0.000 0.249 835 V C 1.740 177.851 176.094 0.027 0.000 1.059 835 V CA 2.790 65.094 62.300 0.006 0.000 1.051 835 V CB -0.882 30.945 31.823 0.007 0.000 0.658 835 V HN 0.941 nan 8.190 nan 0.000 0.455 836 G N -0.759 108.069 108.800 0.047 0.000 2.402 836 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.216 836 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.216 836 G C 0.435 175.405 174.900 0.117 0.000 1.162 836 G CA 0.548 45.680 45.100 0.054 0.000 0.777 836 G HN 0.583 nan 8.290 nan 0.000 0.539 837 D N 0.428 120.953 120.400 0.209 0.000 2.443 837 D HA 0.328 4.968 4.640 -0.001 0.000 0.234 837 D C 0.610 176.978 176.300 0.114 0.000 1.172 837 D CA 0.591 54.738 54.000 0.245 0.000 0.878 837 D CB 0.611 41.372 40.800 -0.064 0.000 1.204 837 D HN 0.549 nan 8.370 nan 0.000 0.453 838 K N 0.728 121.195 120.400 0.112 0.000 2.324 838 K HA 0.668 4.988 4.320 -0.001 0.000 0.253 838 K C -1.228 175.381 176.600 0.016 0.000 0.932 838 K CA -0.899 55.417 56.287 0.049 0.000 0.799 838 K CB 1.194 33.734 32.500 0.067 0.000 1.154 838 K HN 0.390 nan 8.250 nan 0.000 0.425 839 L N 0.596 121.808 121.223 -0.018 0.000 2.333 839 L HA 0.963 5.303 4.340 -0.001 0.000 0.263 839 L C -0.785 176.071 176.870 -0.025 0.000 1.014 839 L CA -1.271 53.552 54.840 -0.028 0.000 0.820 839 L CB 2.160 44.158 42.059 -0.102 0.000 1.352 839 L HN 0.912 nan 8.230 nan 0.000 0.421 840 A N 0.957 123.765 122.820 -0.021 0.000 2.589 840 A HA 0.511 4.830 4.320 -0.001 0.000 0.296 840 A C -1.314 176.261 177.584 -0.016 0.000 1.062 840 A CA -0.809 51.221 52.037 -0.012 0.000 0.686 840 A CB 1.431 20.435 19.000 0.008 0.000 1.282 840 A HN 0.935 nan 8.150 nan 0.000 0.404 841 N N 0.528 119.237 118.700 0.015 0.000 2.463 841 N HA 0.341 5.081 4.740 -0.001 0.000 0.270 841 N C 0.385 175.941 175.510 0.077 0.000 1.205 841 N CA -0.800 52.283 53.050 0.056 0.000 0.974 841 N CB 1.021 39.584 38.487 0.127 0.000 1.197 841 N HN 0.621 nan 8.380 nan 0.000 0.504 842 R N -0.488 120.068 120.500 0.093 0.000 2.293 842 R HA -0.097 4.243 4.340 -0.001 0.000 0.219 842 R C 1.375 177.616 176.300 -0.098 0.000 1.091 842 R CA 1.067 57.167 56.100 0.000 0.000 1.004 842 R CB -0.335 29.958 30.300 -0.013 0.000 0.865 842 R HN 0.631 nan 8.270 nan 0.000 0.469 843 H N -1.937 117.161 119.070 0.047 0.000 2.384 843 H HA 0.097 4.653 4.556 -0.001 0.000 0.300 843 H C 1.614 176.947 175.328 0.008 0.000 1.057 843 H CA 1.643 57.706 56.048 0.024 0.000 1.370 843 H CB 0.667 30.446 29.762 0.027 0.000 1.417 843 H HN 0.475 nan 8.280 nan 0.000 0.527 844 G N 0.010 108.882 108.800 0.120 0.000 3.859 844 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.220 844 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.220 844 G C 0.020 174.946 174.900 0.043 0.000 0.892 844 G CA -0.423 44.713 45.100 0.061 0.000 0.858 844 G HN 0.166 nan 8.290 nan 0.000 0.625 845 N N 1.450 120.180 118.700 0.050 0.000 2.423 845 N HA 0.202 4.942 4.740 -0.001 0.000 0.275 845 N C -0.146 175.372 175.510 0.013 0.000 1.283 845 N CA 0.605 53.667 53.050 0.020 0.000 0.932 845 N CB 0.571 39.065 38.487 0.012 0.000 1.185 845 N HN 0.473 nan 8.380 nan 0.000 0.483 846 K N 1.671 122.075 120.400 0.007 0.000 2.208 846 K HA 0.757 5.077 4.320 -0.001 0.000 0.247 846 K C -0.413 176.188 176.600 0.002 0.000 0.953 846 K CA -0.754 55.537 56.287 0.007 0.000 0.837 846 K CB 1.298 33.806 32.500 0.015 0.000 1.131 846 K HN 0.591 nan 8.250 nan 0.000 0.431 847 G N 0.489 109.291 108.800 0.003 0.000 2.355 847 G HA2 0.348 4.307 3.960 -0.001 0.000 0.296 847 G HA3 0.348 4.307 3.960 -0.001 0.000 0.296 847 G C -1.835 173.069 174.900 0.005 0.000 1.507 847 G CA -0.756 44.346 45.100 0.004 0.000 0.823 847 G HN 0.429 nan 8.290 nan 0.000 0.569 848 V N -0.180 119.743 119.914 0.016 0.000 2.850 848 V HA 0.629 4.749 4.120 -0.001 0.000 0.315 848 V C 0.477 176.576 176.094 0.008 0.000 1.064 848 V CA -0.955 61.356 62.300 0.017 0.000 0.979 848 V CB 1.881 33.724 31.823 0.032 0.000 1.039 848 V HN 0.671 nan 8.190 nan 0.000 0.452 849 V N 2.811 122.720 119.914 -0.007 0.000 2.439 849 V HA 0.289 4.409 4.120 -0.001 0.000 0.271 849 V C 1.111 177.211 176.094 0.010 0.000 1.040 849 V CA 0.896 63.182 62.300 -0.023 0.000 1.002 849 V CB 0.725 32.512 31.823 -0.059 0.000 1.000 849 V HN 1.115 nan 8.190 nan 0.000 0.477 850 A N 5.568 128.410 122.820 0.036 0.000 1.997 850 A HA 0.276 4.596 4.320 -0.001 0.000 0.212 850 A C 0.942 178.564 177.584 0.064 0.000 1.178 850 A CA 0.528 52.619 52.037 0.091 0.000 0.698 850 A CB 0.217 19.328 19.000 0.184 0.000 0.842 850 A HN 0.657 nan 8.150 nan 0.000 0.458 851 K N -0.536 119.854 120.400 -0.018 0.000 2.557 851 K HA 0.528 4.847 4.320 -0.001 0.000 0.257 851 K C -1.976 174.533 176.600 -0.153 0.000 0.933 851 K CA -0.497 55.718 56.287 -0.121 0.000 0.820 851 K CB 1.214 33.511 32.500 -0.337 0.000 1.330 851 K HN 0.123 nan 8.250 nan 0.000 0.432 852 I N 5.150 125.643 120.570 -0.128 0.000 2.282 852 I HA 0.208 4.378 4.170 -0.001 0.000 0.290 852 I C -0.522 175.521 176.117 -0.123 0.000 1.090 852 I CA -0.783 60.447 61.300 -0.117 0.000 1.231 852 I CB 0.349 38.304 38.000 -0.075 0.000 1.434 852 I HN 0.296 nan 8.210 nan 0.000 0.487 853 L N 8.878 130.009 121.223 -0.153 0.000 2.417 853 L HA 0.381 4.721 4.340 -0.001 0.000 0.268 853 L C -1.994 174.834 176.870 -0.070 0.000 1.158 853 L CA -1.624 53.140 54.840 -0.127 0.000 0.819 853 L CB -0.309 41.649 42.059 -0.168 0.000 1.112 853 L HN 0.331 nan 8.230 nan 0.000 0.458 854 P HA 0.043 nan 4.420 nan 0.000 0.280 854 P C 0.844 178.142 177.300 -0.003 0.000 1.244 854 P CA -0.304 62.787 63.100 -0.015 0.000 0.784 854 P CB 1.150 32.848 31.700 -0.004 0.000 0.913 855 V N 3.371 123.284 119.914 -0.001 0.000 2.660 855 V HA -0.303 3.817 4.120 -0.001 0.000 0.257 855 V C 1.830 177.934 176.094 0.018 0.000 1.088 855 V CA 2.110 64.415 62.300 0.009 0.000 1.106 855 V CB -1.100 30.730 31.823 0.011 0.000 0.686 855 V HN 0.567 nan 8.190 nan 0.000 0.481 856 E N 1.397 121.606 120.200 0.015 0.000 2.048 856 E HA -0.256 4.093 4.350 -0.001 0.000 0.202 856 E C 1.272 177.898 176.600 0.044 0.000 1.021 856 E CA 1.752 58.163 56.400 0.017 0.000 0.825 856 E CB -0.359 29.352 29.700 0.018 0.000 0.756 856 E HN 0.913 nan 8.360 nan 0.000 0.454 857 D N -0.122 120.325 120.400 0.077 0.000 2.535 857 D HA 0.092 4.732 4.640 -0.001 0.000 0.229 857 D C 0.454 176.876 176.300 0.203 0.000 1.238 857 D CA -0.296 53.785 54.000 0.134 0.000 0.824 857 D CB -0.431 40.446 40.800 0.127 0.000 1.045 857 D HN 0.242 nan 8.370 nan 0.000 0.500 858 M N -1.102 118.589 119.600 0.151 0.000 2.291 858 M HA 0.587 5.067 4.480 -0.001 0.000 0.324 858 M C -2.421 173.995 176.300 0.194 0.000 1.148 858 M CA -1.712 53.678 55.300 0.150 0.000 1.104 858 M CB 0.607 33.186 32.600 -0.035 0.000 1.483 858 M HN -0.422 nan 8.290 nan 0.000 0.467 859 P HA -0.136 nan 4.420 nan 0.000 0.255 859 P C -1.363 176.037 177.300 0.168 0.000 1.141 859 P CA 0.984 64.189 63.100 0.174 0.000 0.767 859 P CB -0.225 31.556 31.700 0.137 0.000 0.726 860 H N 2.950 122.102 119.070 0.137 0.000 2.679 860 H HA 0.515 5.070 4.556 -0.000 0.000 0.367 860 H C -0.814 174.605 175.328 0.151 0.000 1.162 860 H CA -1.290 54.820 56.048 0.103 0.000 1.181 860 H CB 1.111 30.907 29.762 0.056 0.000 1.693 860 H HN 0.248 nan 8.280 nan 0.000 0.538 861 L N 2.458 123.816 121.223 0.225 0.000 2.456 861 L HA 0.216 4.556 4.340 -0.001 0.000 0.257 861 L C -1.489 175.540 176.870 0.265 0.000 1.162 861 L CA -1.936 53.041 54.840 0.229 0.000 0.808 861 L CB 1.062 43.248 42.059 0.210 0.000 1.136 861 L HN 0.408 nan 8.230 nan 0.000 0.466 862 P HA -0.188 nan 4.420 nan 0.000 0.216 862 P C -0.853 176.527 177.300 0.133 0.000 1.157 862 P CA 1.366 64.609 63.100 0.239 0.000 0.880 862 P CB -0.077 31.872 31.700 0.416 0.000 0.791 863 D N -1.950 118.608 120.400 0.263 0.000 2.304 863 D HA 0.155 4.795 4.640 -0.001 0.000 0.247 863 D C 1.598 177.989 176.300 0.152 0.000 1.089 863 D CA -0.196 53.919 54.000 0.191 0.000 0.910 863 D CB 0.311 41.289 40.800 0.297 0.000 1.199 863 D HN -0.029 nan 8.370 nan 0.000 0.426 864 G N 1.744 110.582 108.800 0.065 0.000 2.631 864 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.221 864 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.221 864 G C 0.919 175.861 174.900 0.069 0.000 1.095 864 G CA 1.147 46.259 45.100 0.021 0.000 0.727 864 G HN 0.660 nan 8.290 nan 0.000 0.587 865 T N 2.410 117.038 114.554 0.122 0.000 2.765 865 T HA 0.384 4.733 4.350 -0.001 0.000 0.284 865 T C -2.321 172.446 174.700 0.112 0.000 0.946 865 T CA -1.369 60.799 62.100 0.114 0.000 1.185 865 T CB 0.958 69.905 68.868 0.132 0.000 0.887 865 T HN 0.015 nan 8.240 nan 0.000 0.532 866 P HA 0.363 nan 4.420 nan 0.000 0.284 866 P C -0.286 177.039 177.300 0.042 0.000 1.258 866 P CA -0.814 62.343 63.100 0.095 0.000 0.824 866 P CB 0.793 32.541 31.700 0.080 0.000 1.038 867 V N -0.771 119.158 119.914 0.026 0.000 3.133 867 V HA 0.211 4.330 4.120 -0.001 0.000 0.305 867 V C 0.404 176.477 176.094 -0.035 0.000 1.084 867 V CA 0.348 62.634 62.300 -0.023 0.000 1.089 867 V CB 0.313 32.117 31.823 -0.031 0.000 1.073 867 V HN 0.397 nan 8.190 nan 0.000 0.477 868 D N 1.081 121.446 120.400 -0.058 0.000 2.290 868 D HA 0.220 4.860 4.640 -0.001 0.000 0.224 868 D C 0.365 176.587 176.300 -0.130 0.000 0.967 868 D CA 1.034 54.989 54.000 -0.075 0.000 0.893 868 D CB 0.473 41.222 40.800 -0.085 0.000 1.037 868 D HN 0.517 nan 8.370 nan 0.000 0.477 869 V N 0.919 120.750 119.914 -0.139 0.000 2.823 869 V HA 0.478 4.598 4.120 -0.001 0.000 0.312 869 V C -1.689 174.325 176.094 -0.134 0.000 1.072 869 V CA -0.910 61.294 62.300 -0.160 0.000 0.937 869 V CB 1.876 33.591 31.823 -0.179 0.000 1.013 869 V HN 0.074 nan 8.190 nan 0.000 0.430 870 I N 6.234 126.713 120.570 -0.152 0.000 2.390 870 I HA 0.465 4.634 4.170 -0.001 0.000 0.283 870 I C -0.566 175.510 176.117 -0.068 0.000 1.016 870 I CA -0.489 60.743 61.300 -0.114 0.000 1.151 870 I CB 1.298 39.187 38.000 -0.184 0.000 1.293 870 I HN 0.322 nan 8.210 nan 0.000 0.458 871 L N 4.489 125.686 121.223 -0.043 0.000 2.334 871 L HA 0.351 4.691 4.340 -0.001 0.000 0.277 871 L C 0.277 177.143 176.870 -0.006 0.000 1.075 871 L CA -0.496 54.327 54.840 -0.030 0.000 0.804 871 L CB 1.284 43.319 42.059 -0.039 0.000 1.174 871 L HN 0.584 nan 8.230 nan 0.000 0.438 872 N N 3.087 121.786 118.700 -0.002 0.000 2.420 872 N HA 0.146 4.886 4.740 -0.001 0.000 0.262 872 N C -1.868 173.629 175.510 -0.021 0.000 1.144 872 N CA -1.224 51.828 53.050 0.003 0.000 0.952 872 N CB 1.232 39.717 38.487 -0.002 0.000 1.081 872 N HN 0.238 nan 8.380 nan 0.000 0.480 873 P HA -0.172 nan 4.420 nan 0.000 0.215 873 P C 1.260 178.533 177.300 -0.044 0.000 1.157 873 P CA 1.167 64.249 63.100 -0.031 0.000 0.874 873 P CB 0.162 31.850 31.700 -0.020 0.000 0.790 874 L N -1.320 119.874 121.223 -0.047 0.000 2.197 874 L HA -0.177 4.163 4.340 -0.001 0.000 0.215 874 L C 2.322 179.148 176.870 -0.075 0.000 1.095 874 L CA 1.697 56.498 54.840 -0.065 0.000 0.764 874 L CB -1.416 40.592 42.059 -0.085 0.000 0.897 874 L HN 0.100 nan 8.230 nan 0.000 0.436 875 G N -1.497 107.259 108.800 -0.073 0.000 2.848 875 G HA2 0.074 4.034 3.960 -0.001 0.000 0.208 875 G HA3 0.074 4.034 3.960 -0.001 0.000 0.208 875 G C 1.304 176.171 174.900 -0.056 0.000 1.152 875 G CA 0.378 45.437 45.100 -0.069 0.000 0.789 875 G HN 0.233 nan 8.290 nan 0.000 0.531 876 V N 1.098 120.978 119.914 -0.057 0.000 2.690 876 V HA 0.044 4.164 4.120 -0.001 0.000 0.240 876 V C 0.192 176.254 176.094 -0.053 0.000 1.078 876 V CA 0.906 63.171 62.300 -0.059 0.000 1.102 876 V CB -0.116 31.663 31.823 -0.073 0.000 0.800 876 V HN 0.139 nan 8.190 nan 0.000 0.479 877 P HA -0.175 nan 4.420 nan 0.000 0.212 877 P C 1.946 179.225 177.300 -0.036 0.000 1.178 877 P CA 2.590 65.664 63.100 -0.043 0.000 0.915 877 P CB -0.318 31.357 31.700 -0.041 0.000 0.788 878 S N 1.137 116.815 115.700 -0.037 0.000 2.392 878 S HA -0.210 4.259 4.470 -0.001 0.000 0.225 878 S C 1.294 175.880 174.600 -0.024 0.000 1.041 878 S CA 0.900 59.082 58.200 -0.031 0.000 1.100 878 S CB -1.641 61.536 63.200 -0.039 0.000 1.029 878 S HN 0.178 nan 8.310 nan 0.000 0.424 879 R N 0.905 121.390 120.500 -0.025 0.000 2.784 879 R HA 0.344 4.684 4.340 -0.001 0.000 0.266 879 R C -0.243 176.048 176.300 -0.014 0.000 1.044 879 R CA 0.368 56.459 56.100 -0.015 0.000 1.151 879 R CB 0.010 30.302 30.300 -0.015 0.000 1.037 879 R HN 0.376 nan 8.270 nan 0.000 0.478 880 M N 2.987 122.585 119.600 -0.003 0.000 2.065 880 M HA 0.183 4.663 4.480 -0.001 0.000 0.332 880 M C -1.023 175.280 176.300 0.006 0.000 0.988 880 M CA -0.252 55.047 55.300 -0.002 0.000 0.944 880 M CB 0.607 33.212 32.600 0.008 0.000 1.357 880 M HN 0.661 nan 8.290 nan 0.000 0.388 881 N N 2.290 120.980 118.700 -0.017 0.000 2.726 881 N HA 0.248 4.988 4.740 -0.001 0.000 0.253 881 N C 0.016 175.463 175.510 -0.104 0.000 1.530 881 N CA -0.502 52.536 53.050 -0.021 0.000 0.772 881 N CB 0.490 38.983 38.487 0.011 0.000 1.220 881 N HN 0.475 nan 8.380 nan 0.000 0.508 882 L N -0.070 121.097 121.223 -0.093 0.000 2.362 882 L HA 0.033 4.372 4.340 -0.001 0.000 0.219 882 L C 2.452 179.169 176.870 -0.255 0.000 1.134 882 L CA 1.178 55.916 54.840 -0.170 0.000 0.807 882 L CB -0.361 41.598 42.059 -0.166 0.000 0.927 882 L HN 0.728 nan 8.230 nan 0.000 0.447 883 G N 0.653 109.334 108.800 -0.199 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 1.478 175.933 174.900 -0.742 0.000 1.131 883 G CA 0.942 45.883 45.100 -0.264 0.000 0.756 883 G HN 0.557 nan 8.290 nan 0.000 0.572 884 Q N -0.043 119.175 119.800 -0.970 0.000 2.119 884 Q HA 0.051 4.390 4.340 -0.001 0.000 0.201 884 Q C 2.367 178.156 176.000 -0.352 0.000 0.972 884 Q CA 0.932 56.354 55.803 -0.636 0.000 0.847 884 Q CB -0.255 28.281 28.738 -0.336 0.000 0.903 884 Q HN 0.419 nan 8.270 nan 0.000 0.433 885 I N 0.336 120.681 120.570 -0.374 0.000 2.830 885 I HA -0.129 4.041 4.170 -0.001 0.000 0.263 885 I C 1.877 177.604 176.117 -0.650 0.000 1.230 885 I CA 0.804 61.838 61.300 -0.444 0.000 1.480 885 I CB -0.486 37.285 38.000 -0.383 0.000 1.095 885 I HN 0.241 nan 8.210 nan 0.000 0.455 886 L N 0.699 121.621 121.223 -0.502 0.000 2.202 886 L HA -0.041 4.299 4.340 -0.001 0.000 0.205 886 L C 2.499 179.197 176.870 -0.287 0.000 1.083 886 L CA 1.336 55.858 54.840 -0.529 0.000 0.790 886 L CB -0.395 41.210 42.059 -0.757 0.000 0.942 886 L HN 0.173 nan 8.230 nan 0.000 0.452 887 E N -1.267 118.885 120.200 -0.081 0.000 2.077 887 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 887 E C 1.742 178.369 176.600 0.045 0.000 0.989 887 E CA 1.707 58.186 56.400 0.131 0.000 0.800 887 E CB 0.015 29.864 29.700 0.248 0.000 0.746 887 E HN 0.416 nan 8.360 nan 0.000 0.452 888 T N -0.240 114.281 114.554 -0.055 0.000 2.788 888 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 888 T C 1.343 176.060 174.700 0.028 0.000 1.044 888 T CA 1.562 63.644 62.100 -0.031 0.000 1.139 888 T CB -0.406 68.402 68.868 -0.101 0.000 0.867 888 T HN 0.408 nan 8.240 nan 0.000 0.454 889 H N 0.189 119.204 119.070 -0.092 0.000 2.276 889 H HA 0.079 4.634 4.556 -0.001 0.000 0.301 889 H C 2.389 177.656 175.328 -0.103 0.000 1.073 889 H CA 1.042 57.010 56.048 -0.134 0.000 1.311 889 H CB -0.183 29.467 29.762 -0.187 0.000 1.379 889 H HN 0.125 nan 8.280 nan 0.000 0.494 890 L N 0.609 121.858 121.223 0.044 0.000 2.079 890 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 890 L C 2.520 179.369 176.870 -0.035 0.000 1.081 890 L CA 1.424 56.222 54.840 -0.071 0.000 0.752 890 L CB -0.442 41.572 42.059 -0.076 0.000 0.896 890 L HN 0.338 nan 8.230 nan 0.000 0.433 891 G N -0.352 108.489 108.800 0.069 0.000 2.432 891 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 891 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 891 G C 1.478 176.511 174.900 0.222 0.000 1.135 891 G CA 0.797 45.990 45.100 0.154 0.000 0.767 891 G HN 0.364 nan 8.290 nan 0.000 0.550 892 L N 1.386 122.716 121.223 0.178 0.000 2.017 892 L HA 0.133 4.472 4.340 -0.001 0.000 0.208 892 L C 3.029 180.138 176.870 0.399 0.000 1.073 892 L CA 2.225 57.213 54.840 0.246 0.000 0.745 892 L CB -0.748 41.356 42.059 0.076 0.000 0.894 892 L HN 0.215 nan 8.230 nan 0.000 0.432 893 A N -0.438 122.555 122.820 0.288 0.000 1.877 893 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 893 A C 2.355 180.221 177.584 0.470 0.000 1.186 893 A CA 1.590 53.857 52.037 0.384 0.000 0.620 893 A CB -1.689 17.467 19.000 0.260 0.000 0.822 893 A HN 0.538 nan 8.150 nan 0.000 0.443 894 G N -2.143 106.927 108.800 0.450 0.000 2.462 894 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 894 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 894 G C 1.490 176.610 174.900 0.367 0.000 1.121 894 G CA 1.259 46.674 45.100 0.525 0.000 0.758 894 G HN 0.563 nan 8.290 nan 0.000 0.559 895 Y N 0.266 120.732 120.300 0.276 0.000 2.163 895 Y HA 0.024 4.574 4.550 -0.000 0.000 0.288 895 Y C 2.040 177.943 175.900 0.005 0.000 1.136 895 Y CA 1.428 59.602 58.100 0.124 0.000 1.147 895 Y CB -0.088 38.436 38.460 0.108 0.000 0.987 895 Y HN 0.179 nan 8.280 nan 0.000 0.509 896 F N -1.286 118.826 119.950 0.270 0.000 2.754 896 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 896 F C 1.549 177.439 175.800 0.151 0.000 1.122 896 F CA 0.445 58.556 58.000 0.185 0.000 1.400 896 F CB 0.007 39.157 39.000 0.250 0.000 1.117 896 F HN -0.034 nan 8.300 nan 0.000 0.587 897 L N -0.830 120.598 121.223 0.342 0.000 2.554 897 L HA 0.315 4.654 4.340 -0.001 0.000 0.225 897 L C 1.322 178.279 176.870 0.144 0.000 1.104 897 L CA 0.389 55.382 54.840 0.256 0.000 0.866 897 L CB -0.624 41.628 42.059 0.322 0.000 1.047 897 L HN 0.205 nan 8.230 nan 0.000 0.468 898 G N 2.149 111.008 108.800 0.098 0.000 2.359 898 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.298 898 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.298 898 G C -0.076 174.842 174.900 0.031 0.000 1.030 898 G CA 0.502 45.614 45.100 0.020 0.000 1.149 898 G HN 0.601 nan 8.290 nan 0.000 0.512 899 Q N -1.495 118.347 119.800 0.070 0.000 2.353 899 Q HA 0.679 5.018 4.340 -0.001 0.000 0.275 899 Q C -0.504 175.493 176.000 -0.004 0.000 1.029 899 Q CA -1.250 54.520 55.803 -0.054 0.000 0.848 899 Q CB 1.844 30.439 28.738 -0.238 0.000 1.390 899 Q HN 0.291 nan 8.270 nan 0.000 0.401 900 R N 1.168 121.636 120.500 -0.053 0.000 2.536 900 R HA 0.577 4.917 4.340 -0.001 0.000 0.279 900 R C -1.233 175.060 176.300 -0.012 0.000 1.001 900 R CA -0.223 55.938 56.100 0.103 0.000 1.027 900 R CB 0.901 31.247 30.300 0.077 0.000 1.096 900 R HN 0.683 nan 8.270 nan 0.000 0.502 901 Y N 1.417 121.762 120.300 0.075 0.000 2.662 901 Y HA 0.528 5.077 4.550 -0.000 0.000 0.335 901 Y C -0.085 175.839 175.900 0.040 0.000 1.066 901 Y CA -0.979 57.188 58.100 0.113 0.000 1.116 901 Y CB 1.509 40.146 38.460 0.296 0.000 1.308 901 Y HN 0.318 nan 8.280 nan 0.000 0.502 902 I N 1.234 121.962 120.570 0.263 0.000 2.542 902 I HA 0.199 4.369 4.170 -0.001 0.000 0.278 902 I C -0.779 175.437 176.117 0.164 0.000 1.069 902 I CA -0.359 60.998 61.300 0.095 0.000 1.100 902 I CB 1.521 39.516 38.000 -0.008 0.000 1.204 902 I HN 0.423 nan 8.210 nan 0.000 0.470 903 S N 7.410 123.107 115.700 -0.004 0.000 2.423 903 S HA 0.494 4.963 4.470 -0.001 0.000 0.317 903 S C -2.277 172.183 174.600 -0.233 0.000 1.065 903 S CA -1.379 56.717 58.200 -0.173 0.000 1.111 903 S CB 0.731 63.516 63.200 -0.691 0.000 0.968 903 S HN 0.193 nan 8.310 nan 0.000 0.474 904 P HA 0.044 nan 4.420 nan 0.000 0.273 904 P C 0.877 178.095 177.300 -0.137 0.000 1.252 904 P CA -0.279 62.776 63.100 -0.075 0.000 0.809 904 P CB 0.407 32.113 31.700 0.010 0.000 1.017 905 I N -0.883 119.635 120.570 -0.087 0.000 2.060 905 I HA -0.182 3.988 4.170 -0.001 0.000 0.233 905 I C 1.991 177.997 176.117 -0.184 0.000 1.054 905 I CA 2.030 63.236 61.300 -0.155 0.000 1.318 905 I CB -0.935 37.014 38.000 -0.085 0.000 1.054 905 I HN 0.335 nan 8.210 nan 0.000 0.395 906 F N -0.897 119.081 119.950 0.047 0.000 2.731 906 F HA 0.062 4.589 4.527 -0.000 0.000 0.298 906 F C 1.604 177.419 175.800 0.024 0.000 1.106 906 F CA 0.262 58.285 58.000 0.038 0.000 1.329 906 F CB 0.190 39.219 39.000 0.049 0.000 1.100 906 F HN 0.141 nan 8.300 nan 0.000 0.592 907 D N -0.449 120.067 120.400 0.194 0.000 2.433 907 D HA 0.150 4.790 4.640 -0.001 0.000 0.211 907 D C 1.732 178.099 176.300 0.112 0.000 1.114 907 D CA 0.340 54.427 54.000 0.145 0.000 0.837 907 D CB 0.056 40.933 40.800 0.128 0.000 0.984 907 D HN 0.098 nan 8.370 nan 0.000 0.505 908 G N 0.637 109.464 108.800 0.046 0.000 2.199 908 G HA2 0.244 4.203 3.960 -0.001 0.000 0.207 908 G HA3 0.244 4.203 3.960 -0.001 0.000 0.207 908 G C 0.456 175.366 174.900 0.016 0.000 1.564 908 G CA 0.235 45.326 45.100 -0.015 0.000 1.023 908 G HN 0.396 nan 8.290 nan 0.000 0.445 909 A N -1.274 121.423 122.820 -0.205 0.000 2.322 909 A HA 0.653 4.973 4.320 -0.001 0.000 0.269 909 A C 0.130 177.760 177.584 0.077 0.000 1.094 909 A CA 0.027 51.786 52.037 -0.462 0.000 0.807 909 A CB 0.983 19.384 19.000 -0.998 0.000 1.047 909 A HN 0.474 nan 8.150 nan 0.000 0.487 910 K N -0.255 120.136 120.400 -0.014 0.000 2.328 910 K HA 0.335 4.655 4.320 -0.001 0.000 0.246 910 K C 0.820 177.417 176.600 -0.006 0.000 0.955 910 K CA -0.406 55.919 56.287 0.063 0.000 0.817 910 K CB 1.511 34.066 32.500 0.092 0.000 1.208 910 K HN 0.752 nan 8.250 nan 0.000 0.432 911 E N 1.902 122.085 120.200 -0.029 0.000 2.147 911 E HA -0.184 4.166 4.350 -0.001 0.000 0.199 911 E C -1.146 175.434 176.600 -0.033 0.000 1.005 911 E CA 1.719 58.075 56.400 -0.073 0.000 0.810 911 E CB -0.165 29.483 29.700 -0.085 0.000 0.736 911 E HN 0.410 nan 8.360 nan 0.000 0.460 912 P HA -0.101 nan 4.420 nan 0.000 0.218 912 P C 0.467 177.803 177.300 0.060 0.000 1.152 912 P CA 1.208 64.324 63.100 0.027 0.000 0.826 912 P CB 0.069 31.795 31.700 0.043 0.000 0.790 913 E N -0.485 119.771 120.200 0.092 0.000 2.150 913 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 913 E C 1.885 178.586 176.600 0.169 0.000 0.985 913 E CA 0.886 57.396 56.400 0.183 0.000 0.814 913 E CB -0.560 29.312 29.700 0.287 0.000 0.752 913 E HN 0.281 nan 8.360 nan 0.000 0.466 914 I N 1.156 121.757 120.570 0.051 0.000 2.286 914 I HA -0.218 3.952 4.170 -0.001 0.000 0.245 914 I C 2.164 178.293 176.117 0.020 0.000 1.104 914 I CA 0.792 62.102 61.300 0.018 0.000 1.397 914 I CB -0.222 37.734 38.000 -0.074 0.000 1.072 914 I HN -0.070 nan 8.210 nan 0.000 0.417 915 K N 0.794 121.190 120.400 -0.007 0.000 2.152 915 K HA -0.229 4.091 4.320 -0.001 0.000 0.206 915 K C 1.967 178.598 176.600 0.051 0.000 1.048 915 K CA 1.413 57.689 56.287 -0.019 0.000 0.933 915 K CB -0.268 32.212 32.500 -0.034 0.000 0.721 915 K HN 0.332 nan 8.250 nan 0.000 0.447 916 E N 0.915 121.170 120.200 0.091 0.000 2.047 916 E HA -0.075 4.275 4.350 -0.001 0.000 0.191 916 E C 2.036 178.742 176.600 0.176 0.000 0.987 916 E CA 0.791 57.269 56.400 0.129 0.000 0.799 916 E CB -0.076 29.712 29.700 0.146 0.000 0.752 916 E HN 0.165 nan 8.360 nan 0.000 0.449 917 L N -0.122 121.226 121.223 0.208 0.000 2.093 917 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 917 L C 2.262 179.297 176.870 0.275 0.000 1.085 917 L CA 0.409 55.408 54.840 0.266 0.000 0.755 917 L CB -0.378 41.873 42.059 0.321 0.000 0.904 917 L HN 0.201 nan 8.230 nan 0.000 0.435 918 L N 0.049 121.401 121.223 0.215 0.000 2.131 918 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 918 L C 2.723 179.879 176.870 0.478 0.000 1.092 918 L CA 1.843 56.861 54.840 0.297 0.000 0.759 918 L CB -0.971 41.080 42.059 -0.013 0.000 0.903 918 L HN 0.187 nan 8.230 nan 0.000 0.435 919 A N -1.595 121.402 122.820 0.295 0.000 1.933 919 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 919 A C 2.284 180.044 177.584 0.293 0.000 1.175 919 A CA 1.599 53.796 52.037 0.267 0.000 0.628 919 A CB -0.482 18.612 19.000 0.156 0.000 0.814 919 A HN 0.487 nan 8.150 nan 0.000 0.444 920 Q N -0.612 119.352 119.800 0.274 0.000 2.123 920 Q HA -0.086 4.253 4.340 -0.001 0.000 0.199 920 Q C 2.268 178.436 176.000 0.279 0.000 0.966 920 Q CA 1.354 57.305 55.803 0.248 0.000 0.845 920 Q CB -0.282 28.594 28.738 0.230 0.000 0.907 920 Q HN 0.611 nan 8.270 nan 0.000 0.439 921 A N -0.028 123.014 122.820 0.371 0.000 1.972 921 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 921 A C 1.788 179.458 177.584 0.143 0.000 1.169 921 A CA 0.900 53.168 52.037 0.386 0.000 0.635 921 A CB -0.807 18.572 19.000 0.633 0.000 0.810 921 A HN 0.445 nan 8.150 nan 0.000 0.446 922 F N 0.485 120.415 119.950 -0.034 0.000 2.216 922 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 922 F C 2.116 177.870 175.800 -0.076 0.000 1.085 922 F CA 1.846 59.661 58.000 -0.310 0.000 1.326 922 F CB -0.022 38.864 39.000 -0.190 0.000 1.027 922 F HN 0.246 nan 8.300 nan 0.000 0.497 923 E N -0.473 119.796 120.200 0.114 0.000 2.152 923 E HA -0.099 4.251 4.350 -0.001 0.000 0.192 923 E C 2.277 178.895 176.600 0.030 0.000 0.983 923 E CA 0.907 57.352 56.400 0.075 0.000 0.818 923 E CB -0.292 29.484 29.700 0.126 0.000 0.758 923 E HN 0.229 nan 8.360 nan 0.000 0.467 924 V N 0.113 120.078 119.914 0.084 0.000 2.270 924 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 924 V C 2.018 178.221 176.094 0.181 0.000 1.043 924 V CA 2.043 64.445 62.300 0.170 0.000 1.014 924 V CB -0.660 31.355 31.823 0.321 0.000 0.645 924 V HN 0.391 nan 8.190 nan 0.000 0.447 925 Y N -0.700 119.478 120.300 -0.202 0.000 2.092 925 Y HA -0.272 4.278 4.550 -0.001 0.000 0.282 925 Y C 2.334 178.045 175.900 -0.314 0.000 1.126 925 Y CA 2.104 59.946 58.100 -0.430 0.000 1.111 925 Y CB -0.159 37.619 38.460 -1.137 0.000 0.987 925 Y HN 0.229 nan 8.280 nan 0.000 0.489 926 F N 0.711 120.096 119.950 -0.942 0.000 2.569 926 F HA 0.170 4.697 4.527 -0.000 0.000 0.295 926 F C 2.195 177.737 175.800 -0.430 0.000 1.115 926 F CA 0.964 58.413 58.000 -0.918 0.000 1.450 926 F CB -0.550 37.599 39.000 -1.418 0.000 1.107 926 F HN 0.104 nan 8.300 nan 0.000 0.563 927 G N -0.162 108.505 108.800 -0.221 0.000 2.421 927 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.216 927 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.216 927 G C 1.682 176.497 174.900 -0.142 0.000 1.171 927 G CA 0.835 45.859 45.100 -0.127 0.000 0.775 927 G HN 0.176 nan 8.290 nan 0.000 0.543 928 K N 0.457 120.800 120.400 -0.095 0.000 2.211 928 K HA 0.084 4.404 4.320 -0.001 0.000 0.203 928 K C 2.494 179.028 176.600 -0.109 0.000 1.050 928 K CA 0.486 56.739 56.287 -0.056 0.000 0.945 928 K CB -0.217 32.297 32.500 0.022 0.000 0.732 928 K HN 0.043 nan 8.250 nan 0.000 0.451 929 R N 0.660 121.025 120.500 -0.225 0.000 2.081 929 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 929 R C 1.951 178.064 176.300 -0.311 0.000 1.131 929 R CA 1.630 57.554 56.100 -0.293 0.000 0.960 929 R CB -0.163 29.805 30.300 -0.555 0.000 0.856 929 R HN 0.221 nan 8.270 nan 0.000 0.436 930 K N -1.174 118.975 120.400 -0.418 0.000 2.025 930 K HA -0.057 4.263 4.320 -0.001 0.000 0.207 930 K C 2.126 178.619 176.600 -0.179 0.000 1.049 930 K CA 1.448 57.546 56.287 -0.316 0.000 0.933 930 K CB -0.365 31.965 32.500 -0.284 0.000 0.714 930 K HN 0.251 nan 8.250 nan 0.000 0.438 931 G N 0.978 109.698 108.800 -0.133 0.000 2.394 931 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.215 931 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.215 931 G C 1.162 176.019 174.900 -0.072 0.000 1.165 931 G CA 0.346 45.394 45.100 -0.087 0.000 0.784 931 G HN 0.255 nan 8.290 nan 0.000 0.535 932 E N -0.420 119.756 120.200 -0.040 0.000 2.273 932 E HA 0.080 4.429 4.350 -0.001 0.000 0.198 932 E C 1.887 178.498 176.600 0.018 0.000 1.002 932 E CA 0.697 57.113 56.400 0.027 0.000 0.828 932 E CB -0.072 29.678 29.700 0.083 0.000 0.747 932 E HN 0.501 nan 8.360 nan 0.000 0.491 933 G N -1.138 107.592 108.800 -0.118 0.000 2.273 933 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.162 933 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.162 933 G C -0.214 174.156 174.900 -0.884 0.000 1.006 933 G CA -0.462 44.343 45.100 -0.491 0.000 0.704 933 G HN 0.111 nan 8.290 nan 0.000 0.487 934 F N -0.129 119.759 119.950 -0.103 0.000 2.613 934 F HA 0.774 5.301 4.527 -0.001 0.000 0.314 934 F C 1.028 176.742 175.800 -0.143 0.000 1.075 934 F CA -0.186 57.760 58.000 -0.090 0.000 0.945 934 F CB 1.336 40.301 39.000 -0.059 0.000 1.310 934 F HN 0.175 nan 8.300 nan 0.000 0.467 935 G N 0.185 109.039 108.800 0.091 0.000 3.365 935 G HA2 0.553 4.513 3.960 -0.001 0.000 0.185 935 G HA3 0.553 4.513 3.960 -0.001 0.000 0.185 935 G C -0.601 174.376 174.900 0.128 0.000 1.565 935 G CA -0.108 45.014 45.100 0.037 0.000 0.984 935 G HN 0.678 nan 8.290 nan 0.000 0.604 936 V N -1.298 118.725 119.914 0.182 0.000 2.612 936 V HA 0.525 4.644 4.120 -0.001 0.000 0.301 936 V C -0.510 175.684 176.094 0.166 0.000 1.046 936 V CA -1.065 61.361 62.300 0.210 0.000 0.946 936 V CB 1.712 33.656 31.823 0.201 0.000 1.003 936 V HN 0.474 nan 8.190 nan 0.000 0.459 937 D N 1.433 121.940 120.400 0.178 0.000 2.354 937 D HA 0.242 4.882 4.640 -0.001 0.000 0.247 937 D C 0.673 177.041 176.300 0.114 0.000 1.138 937 D CA -0.397 53.706 54.000 0.171 0.000 0.958 937 D CB 2.016 42.980 40.800 0.273 0.000 1.144 937 D HN 0.702 nan 8.370 nan 0.000 0.458 938 K N 0.722 121.181 120.400 0.099 0.000 2.211 938 K HA -0.046 4.273 4.320 -0.001 0.000 0.203 938 K C 1.928 178.544 176.600 0.027 0.000 1.050 938 K CA 0.964 57.288 56.287 0.061 0.000 0.945 938 K CB 0.225 32.761 32.500 0.059 0.000 0.732 938 K HN 0.224 nan 8.250 nan 0.000 0.451 939 R N 0.669 121.182 120.500 0.022 0.000 2.062 939 R HA -0.078 4.262 4.340 -0.001 0.000 0.231 939 R C 2.007 178.231 176.300 -0.127 0.000 1.136 939 R CA 1.526 57.564 56.100 -0.103 0.000 0.948 939 R CB -0.707 29.445 30.300 -0.246 0.000 0.845 939 R HN 0.402 nan 8.270 nan 0.000 0.430 940 E N 0.640 120.813 120.200 -0.046 0.000 2.160 940 E HA -0.124 4.226 4.350 -0.001 0.000 0.195 940 E C 2.003 178.605 176.600 0.004 0.000 0.991 940 E CA 1.349 57.748 56.400 -0.001 0.000 0.810 940 E CB 0.031 29.797 29.700 0.111 0.000 0.742 940 E HN 0.080 nan 8.360 nan 0.000 0.466 941 V N 0.784 120.707 119.914 0.016 0.000 2.407 941 V HA -0.192 3.928 4.120 -0.001 0.000 0.245 941 V C 2.274 178.364 176.094 -0.007 0.000 1.041 941 V CA 1.757 64.065 62.300 0.013 0.000 1.040 941 V CB -0.382 31.457 31.823 0.027 0.000 0.671 941 V HN 0.178 nan 8.190 nan 0.000 0.455 942 E N 0.589 120.778 120.200 -0.018 0.000 2.038 942 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 942 E C 2.200 178.779 176.600 -0.035 0.000 1.000 942 E CA 1.837 58.222 56.400 -0.026 0.000 0.803 942 E CB -0.494 29.186 29.700 -0.034 0.000 0.750 942 E HN 0.258 nan 8.360 nan 0.000 0.448 943 V N 0.405 120.287 119.914 -0.055 0.000 2.469 943 V HA -0.241 3.879 4.120 -0.001 0.000 0.251 943 V C 2.195 178.270 176.094 -0.033 0.000 1.064 943 V CA 1.797 64.065 62.300 -0.053 0.000 1.066 943 V CB -0.321 31.457 31.823 -0.075 0.000 0.667 943 V HN 0.392 nan 8.190 nan 0.000 0.461 944 L N -0.266 120.941 121.223 -0.026 0.000 2.046 944 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 944 L C 2.792 179.651 176.870 -0.019 0.000 1.077 944 L CA 2.208 57.035 54.840 -0.020 0.000 0.747 944 L CB -0.592 41.459 42.059 -0.014 0.000 0.896 944 L HN 0.367 nan 8.230 nan 0.000 0.432 945 R N 0.466 120.956 120.500 -0.017 0.000 2.088 945 R HA -0.216 4.124 4.340 -0.001 0.000 0.232 945 R C 2.374 178.664 176.300 -0.017 0.000 1.136 945 R CA 1.815 57.906 56.100 -0.015 0.000 0.926 945 R CB -0.284 30.009 30.300 -0.012 0.000 0.837 945 R HN 0.262 nan 8.270 nan 0.000 0.429 946 R N -0.110 120.378 120.500 -0.019 0.000 2.154 946 R HA -0.174 4.166 4.340 -0.001 0.000 0.248 946 R C 2.273 178.561 176.300 -0.020 0.000 1.155 946 R CA 1.487 57.576 56.100 -0.020 0.000 0.979 946 R CB -0.366 29.920 30.300 -0.023 0.000 0.869 946 R HN 0.383 nan 8.270 nan 0.000 0.452 947 A N 1.142 123.949 122.820 -0.022 0.000 1.872 947 A HA -0.152 4.168 4.320 -0.001 0.000 0.214 947 A C 1.879 179.449 177.584 -0.024 0.000 1.187 947 A CA 1.114 53.138 52.037 -0.023 0.000 0.614 947 A CB -0.242 18.743 19.000 -0.024 0.000 0.826 947 A HN 0.280 nan 8.150 nan 0.000 0.442 948 E N -0.214 119.972 120.200 -0.023 0.000 2.150 948 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 948 E C 1.839 178.427 176.600 -0.020 0.000 0.985 948 E CA 1.036 57.422 56.400 -0.023 0.000 0.814 948 E CB -0.101 29.586 29.700 -0.021 0.000 0.752 948 E HN 0.530 nan 8.360 nan 0.000 0.466 949 K N 0.355 120.744 120.400 -0.018 0.000 2.362 949 K HA -0.065 4.255 4.320 -0.001 0.000 0.200 949 K C 1.839 178.429 176.600 -0.017 0.000 1.046 949 K CA 0.284 56.562 56.287 -0.016 0.000 0.952 949 K CB 0.176 32.667 32.500 -0.014 0.000 0.753 949 K HN 0.079 nan 8.250 nan 0.000 0.466 950 L N -0.541 120.671 121.223 -0.019 0.000 2.145 950 L HA 0.065 4.404 4.340 -0.001 0.000 0.201 950 L C 0.991 177.849 176.870 -0.021 0.000 1.075 950 L CA 2.092 56.920 54.840 -0.019 0.000 0.773 950 L CB -0.321 41.725 42.059 -0.021 0.000 0.936 950 L HN 0.417 nan 8.230 nan 0.000 0.451 951 G N -0.867 107.918 108.800 -0.024 0.000 2.189 951 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.113 951 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.113 951 G C 0.488 175.369 174.900 -0.031 0.000 1.038 951 G CA 0.105 45.190 45.100 -0.026 0.000 0.704 951 G HN 0.195 nan 8.290 nan 0.000 0.490 952 L N -0.494 120.709 121.223 -0.034 0.000 2.575 952 L HA 0.340 4.679 4.340 -0.001 0.000 0.228 952 L C 0.717 177.558 176.870 -0.048 0.000 1.075 952 L CA 0.859 55.674 54.840 -0.041 0.000 0.867 952 L CB 0.417 42.453 42.059 -0.039 0.000 1.097 952 L HN 0.179 nan 8.230 nan 0.000 0.485 953 V N -0.420 119.468 119.914 -0.043 0.000 2.709 953 V HA 0.266 4.385 4.120 -0.001 0.000 0.308 953 V C 0.227 176.297 176.094 -0.041 0.000 1.062 953 V CA -0.972 61.299 62.300 -0.049 0.000 0.901 953 V CB 1.598 33.391 31.823 -0.051 0.000 1.003 953 V HN 0.305 nan 8.190 nan 0.000 0.425 954 T N 2.556 117.085 114.554 -0.042 0.000 2.751 954 T HA 0.236 4.586 4.350 -0.001 0.000 0.279 954 T C -2.312 172.370 174.700 -0.029 0.000 0.941 954 T CA -0.983 61.096 62.100 -0.034 0.000 1.192 954 T CB 0.009 68.856 68.868 -0.034 0.000 0.883 954 T HN 0.457 nan 8.240 nan 0.000 0.534 955 P HA 0.267 nan 4.420 nan 0.000 0.265 955 P C 1.231 178.521 177.300 -0.017 0.000 1.187 955 P CA 1.026 64.115 63.100 -0.019 0.000 0.766 955 P CB 0.194 31.884 31.700 -0.016 0.000 0.820 956 G N 1.018 109.809 108.800 -0.014 0.000 2.195 956 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.224 956 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.224 956 G C 0.222 175.115 174.900 -0.011 0.000 0.990 956 G CA -0.255 44.839 45.100 -0.011 0.000 0.639 956 G HN 0.599 nan 8.290 nan 0.000 0.514 957 K N 1.004 121.394 120.400 -0.018 0.000 2.095 957 K HA 0.581 4.901 4.320 -0.001 0.000 0.252 957 K C 0.710 177.301 176.600 -0.016 0.000 0.977 957 K CA 0.220 56.495 56.287 -0.020 0.000 0.900 957 K CB 0.935 33.415 32.500 -0.034 0.000 1.060 957 K HN 0.181 nan 8.250 nan 0.000 0.449 958 T N 1.133 115.681 114.554 -0.009 0.000 2.901 958 T HA 0.156 4.506 4.350 -0.001 0.000 0.301 958 T C -1.911 172.785 174.700 -0.008 0.000 1.012 958 T CA -1.456 60.647 62.100 0.004 0.000 1.135 958 T CB 0.902 69.784 68.868 0.022 0.000 0.936 958 T HN 0.311 nan 8.240 nan 0.000 0.539 959 P HA -0.192 nan 4.420 nan 0.000 0.218 959 P C 1.300 178.565 177.300 -0.057 0.000 1.152 959 P CA 1.537 64.630 63.100 -0.012 0.000 0.857 959 P CB 0.120 31.838 31.700 0.031 0.000 0.787 960 E N 0.107 120.308 120.200 0.001 0.000 2.038 960 E HA -0.239 4.111 4.350 -0.001 0.000 0.195 960 E C 1.885 178.415 176.600 -0.116 0.000 1.000 960 E CA 1.591 57.980 56.400 -0.018 0.000 0.803 960 E CB -0.739 29.078 29.700 0.195 0.000 0.750 960 E HN 0.184 nan 8.360 nan 0.000 0.448 961 E N 0.234 120.392 120.200 -0.071 0.000 2.150 961 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 961 E C 2.179 178.671 176.600 -0.180 0.000 0.985 961 E CA 1.060 57.391 56.400 -0.115 0.000 0.814 961 E CB -0.152 29.514 29.700 -0.058 0.000 0.752 961 E HN 0.540 nan 8.360 nan 0.000 0.466 962 Q N 0.474 120.188 119.800 -0.143 0.000 2.049 962 Q HA -0.030 4.309 4.340 -0.001 0.000 0.198 962 Q C 2.513 178.400 176.000 -0.188 0.000 0.971 962 Q CA 0.598 56.320 55.803 -0.134 0.000 0.833 962 Q CB -0.254 28.436 28.738 -0.081 0.000 0.896 962 Q HN 0.285 nan 8.270 nan 0.000 0.434 963 L N 1.007 122.096 121.223 -0.224 0.000 2.131 963 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 963 L C 2.598 179.172 176.870 -0.493 0.000 1.092 963 L CA 1.165 55.879 54.840 -0.211 0.000 0.759 963 L CB -0.151 41.809 42.059 -0.165 0.000 0.903 963 L HN 0.198 nan 8.230 nan 0.000 0.435 964 K N 0.092 119.900 120.400 -0.988 0.000 2.001 964 K HA -0.281 4.039 4.320 -0.001 0.000 0.208 964 K C 1.990 178.259 176.600 -0.551 0.000 1.048 964 K CA 1.858 57.284 56.287 -1.435 0.000 0.932 964 K CB -0.041 31.814 32.500 -1.075 0.000 0.715 964 K HN 0.221 nan 8.250 nan 0.000 0.437 965 E N 0.087 120.081 120.200 -0.343 0.000 2.118 965 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 965 E C 1.842 178.356 176.600 -0.144 0.000 0.992 965 E CA 1.047 57.332 56.400 -0.192 0.000 0.804 965 E CB 0.009 29.622 29.700 -0.146 0.000 0.741 965 E HN 0.161 nan 8.360 nan 0.000 0.458 966 L N -0.214 120.933 121.223 -0.126 0.000 2.131 966 L HA 0.003 4.343 4.340 -0.001 0.000 0.206 966 L C 1.914 178.779 176.870 -0.009 0.000 1.087 966 L CA 1.354 56.158 54.840 -0.060 0.000 0.767 966 L CB -0.761 41.282 42.059 -0.027 0.000 0.917 966 L HN 0.252 nan 8.230 nan 0.000 0.441 967 F N -0.264 119.603 119.950 -0.138 0.000 2.146 967 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 967 F C 2.130 177.872 175.800 -0.097 0.000 1.096 967 F CA 1.454 59.434 58.000 -0.034 0.000 1.275 967 F CB -0.261 38.816 39.000 0.128 0.000 1.008 967 F HN 0.003 nan 8.300 nan 0.000 0.480 968 L N 0.029 121.195 121.223 -0.095 0.000 2.127 968 L HA -0.261 4.079 4.340 -0.001 0.000 0.211 968 L C 2.374 179.060 176.870 -0.306 0.000 1.089 968 L CA 1.221 55.947 54.840 -0.190 0.000 0.757 968 L CB -0.901 41.093 42.059 -0.109 0.000 0.899 968 L HN 0.228 nan 8.230 nan 0.000 0.434 969 Q N 0.041 119.683 119.800 -0.264 0.000 2.439 969 Q HA -0.109 4.231 4.340 -0.001 0.000 0.211 969 Q C 1.586 177.302 176.000 -0.473 0.000 0.978 969 Q CA 0.943 56.579 55.803 -0.279 0.000 0.897 969 Q CB 0.070 28.710 28.738 -0.164 0.000 0.956 969 Q HN 0.712 nan 8.270 nan 0.000 0.483 970 G N 1.048 109.489 108.800 -0.599 0.000 2.157 970 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.239 970 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.239 970 G C -0.133 174.578 174.900 -0.315 0.000 0.982 970 G CA 0.097 44.742 45.100 -0.758 0.000 0.650 970 G HN 0.239 nan 8.290 nan 0.000 0.527 971 K N 0.000 120.276 120.400 -0.208 0.000 2.316 971 K HA 0.748 5.068 4.320 -0.001 0.000 0.251 971 K C 0.029 176.666 176.600 0.062 0.000 0.934 971 K CA -0.490 55.769 56.287 -0.046 0.000 0.802 971 K CB 3.180 35.667 32.500 -0.021 0.000 1.171 971 K HN 0.698 nan 8.250 nan 0.000 0.426 972 V N -1.036 118.956 119.914 0.130 0.000 3.126 972 V HA 0.557 4.676 4.120 -0.001 0.000 0.314 972 V C -0.560 175.636 176.094 0.170 0.000 1.138 972 V CA -0.911 61.538 62.300 0.248 0.000 1.034 972 V CB 1.916 33.936 31.823 0.328 0.000 1.075 972 V HN 0.432 nan 8.190 nan 0.000 0.442 973 V N 2.714 122.747 119.914 0.198 0.000 2.530 973 V HA 0.493 4.612 4.120 -0.001 0.000 0.282 973 V C -0.105 176.076 176.094 0.145 0.000 1.048 973 V CA -0.073 62.295 62.300 0.113 0.000 0.997 973 V CB 0.855 32.722 31.823 0.074 0.000 0.987 973 V HN 0.746 nan 8.190 nan 0.000 0.477 974 L N 5.143 126.400 121.223 0.057 0.000 2.408 974 L HA 0.592 4.932 4.340 -0.001 0.000 0.268 974 L C -0.974 175.896 176.870 0.001 0.000 0.986 974 L CA -0.286 54.612 54.840 0.096 0.000 0.820 974 L CB 1.950 44.054 42.059 0.074 0.000 1.303 974 L HN 0.503 nan 8.230 nan 0.000 0.411 975 Y N 1.964 122.094 120.300 -0.283 0.000 2.320 975 Y HA 0.193 4.742 4.550 -0.000 0.000 0.324 975 Y C 1.264 177.026 175.900 -0.230 0.000 1.190 975 Y CA -0.548 57.366 58.100 -0.309 0.000 1.215 975 Y CB 0.596 38.764 38.460 -0.488 0.000 1.221 975 Y HN 0.643 nan 8.280 nan 0.000 0.486 976 D N 1.564 122.028 120.400 0.106 0.000 2.182 976 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 976 D C 1.905 178.348 176.300 0.238 0.000 0.986 976 D CA 2.019 56.106 54.000 0.145 0.000 0.847 976 D CB 0.014 40.877 40.800 0.105 0.000 0.942 976 D HN 0.980 nan 8.370 nan 0.000 0.467 977 G N 0.277 109.284 108.800 0.345 0.000 2.363 977 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.238 977 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.238 977 G C 1.564 176.598 174.900 0.223 0.000 1.062 977 G CA 0.549 45.893 45.100 0.406 0.000 0.629 977 G HN 0.427 nan 8.290 nan 0.000 0.514 978 R N -0.742 119.867 120.500 0.182 0.000 2.105 978 R HA 0.220 4.559 4.340 -0.001 0.000 0.214 978 R C 2.563 178.922 176.300 0.098 0.000 1.091 978 R CA 1.483 57.655 56.100 0.120 0.000 1.007 978 R CB -0.246 30.109 30.300 0.092 0.000 0.912 978 R HN 0.351 nan 8.270 nan 0.000 0.450 979 T N -1.795 112.824 114.554 0.107 0.000 2.990 979 T HA 0.166 4.515 4.350 -0.001 0.000 0.249 979 T C 1.147 175.924 174.700 0.129 0.000 1.039 979 T CA 0.909 63.064 62.100 0.091 0.000 1.036 979 T CB 0.365 69.270 68.868 0.062 0.000 0.994 979 T HN 0.484 nan 8.240 nan 0.000 0.489 980 G N 1.330 110.249 108.800 0.198 0.000 2.179 980 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.260 980 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.260 980 G C -0.022 175.061 174.900 0.305 0.000 0.977 980 G CA 0.502 45.777 45.100 0.292 0.000 0.641 980 G HN 0.601 nan 8.290 nan 0.000 0.533 981 E N 1.650 121.950 120.200 0.168 0.000 2.343 981 E HA 0.516 4.866 4.350 -0.001 0.000 0.269 981 E C -1.659 174.936 176.600 -0.008 0.000 1.047 981 E CA -1.711 54.735 56.400 0.076 0.000 0.874 981 E CB 1.457 31.179 29.700 0.038 0.000 1.033 981 E HN 0.239 nan 8.360 nan 0.000 0.409 982 P HA 0.065 nan 4.420 nan 0.000 0.274 982 P C -0.487 176.740 177.300 -0.123 0.000 1.256 982 P CA 0.102 63.033 63.100 -0.282 0.000 0.795 982 P CB 0.579 32.010 31.700 -0.449 0.000 1.038 983 I N 1.116 121.627 120.570 -0.099 0.000 2.287 983 I HA 0.071 4.241 4.170 -0.001 0.000 0.290 983 I C 1.127 177.214 176.117 -0.049 0.000 1.069 983 I CA -0.578 60.695 61.300 -0.045 0.000 1.237 983 I CB -0.166 37.831 38.000 -0.006 0.000 1.418 983 I HN 0.457 nan 8.210 nan 0.000 0.481 984 E N 6.421 126.594 120.200 -0.046 0.000 3.102 984 E HA 0.133 4.483 4.350 -0.001 0.000 0.235 984 E C 0.282 176.865 176.600 -0.028 0.000 0.995 984 E CA 0.102 56.478 56.400 -0.040 0.000 0.950 984 E CB -0.161 29.521 29.700 -0.031 0.000 0.905 984 E HN 0.858 nan 8.360 nan 0.000 0.553 985 G N 3.111 111.893 108.800 -0.029 0.000 3.233 985 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.686 985 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.686 985 G C -2.824 172.070 174.900 -0.011 0.000 1.153 985 G CA -0.871 44.218 45.100 -0.019 0.000 0.853 985 G HN 0.451 nan 8.290 nan 0.000 0.582 986 P HA 0.427 nan 4.420 nan 0.000 0.266 986 P C 0.204 177.512 177.300 0.013 0.000 1.195 986 P CA -0.001 63.105 63.100 0.010 0.000 0.768 986 P CB 0.565 32.271 31.700 0.010 0.000 0.838 987 I N 2.089 122.675 120.570 0.027 0.000 2.498 987 I HA 0.252 4.421 4.170 -0.001 0.000 0.290 987 I C 0.272 176.409 176.117 0.033 0.000 1.032 987 I CA -1.291 60.026 61.300 0.028 0.000 1.073 987 I CB 2.090 40.111 38.000 0.036 0.000 1.251 987 I HN 0.130 nan 8.210 nan 0.000 0.426 988 V N 8.027 127.958 119.914 0.027 0.000 2.924 988 V HA 0.616 4.736 4.120 -0.001 0.000 0.305 988 V C -0.353 175.758 176.094 0.028 0.000 1.073 988 V CA 0.150 62.471 62.300 0.035 0.000 1.098 988 V CB 1.613 33.482 31.823 0.077 0.000 1.000 988 V HN 0.563 nan 8.190 nan 0.000 0.484 989 V N 2.480 122.412 119.914 0.031 0.000 3.087 989 V HA 1.108 5.227 4.120 -0.001 0.000 0.306 989 V C 0.016 176.127 176.094 0.028 0.000 1.187 989 V CA 0.101 62.412 62.300 0.020 0.000 0.999 989 V CB 0.957 32.794 31.823 0.022 0.000 1.049 989 V HN 1.758 nan 8.190 nan 0.000 0.431 990 G N 1.078 109.886 108.800 0.013 0.000 2.342 990 G HA2 0.452 4.412 3.960 -0.001 0.000 0.297 990 G HA3 0.452 4.412 3.960 -0.001 0.000 0.297 990 G C -1.816 173.109 174.900 0.042 0.000 1.313 990 G CA -0.827 44.300 45.100 0.045 0.000 0.830 990 G HN 0.758 nan 8.290 nan 0.000 0.506 991 Q N 0.583 120.450 119.800 0.112 0.000 2.490 991 Q HA 0.372 4.712 4.340 -0.001 0.000 0.226 991 Q C 0.032 176.124 176.000 0.154 0.000 1.132 991 Q CA -0.016 55.879 55.803 0.154 0.000 0.928 991 Q CB 1.036 29.926 28.738 0.253 0.000 1.299 991 Q HN 0.489 nan 8.270 nan 0.000 0.528 992 M N 3.128 122.799 119.600 0.117 0.000 2.129 992 M HA 0.324 4.804 4.480 -0.001 0.000 0.348 992 M C -1.127 175.289 176.300 0.194 0.000 1.116 992 M CA -0.761 54.625 55.300 0.144 0.000 1.022 992 M CB 0.654 33.300 32.600 0.077 0.000 1.599 992 M HN 0.498 nan 8.290 nan 0.000 0.449 993 F N 7.103 127.101 119.950 0.081 0.000 2.533 993 F HA 0.406 4.933 4.527 -0.001 0.000 0.378 993 F C -1.140 174.705 175.800 0.075 0.000 1.070 993 F CA 0.058 58.105 58.000 0.078 0.000 1.172 993 F CB 0.263 39.310 39.000 0.078 0.000 1.085 993 F HN 0.455 nan 8.300 nan 0.000 0.552 994 I N 7.700 128.089 120.570 -0.302 0.000 2.582 994 I HA 0.341 4.511 4.170 -0.001 0.000 0.292 994 I C -0.661 175.279 176.117 -0.295 0.000 1.066 994 I CA -0.956 60.195 61.300 -0.248 0.000 1.053 994 I CB 2.204 40.142 38.000 -0.104 0.000 1.241 994 I HN 0.539 nan 8.210 nan 0.000 0.421 995 M N 4.804 124.263 119.600 -0.235 0.000 2.578 995 M HA 0.502 4.982 4.480 -0.001 0.000 0.321 995 M C -0.470 175.860 176.300 0.050 0.000 1.182 995 M CA -0.804 54.409 55.300 -0.145 0.000 0.965 995 M CB 2.048 34.542 32.600 -0.178 0.000 1.694 995 M HN 0.394 nan 8.290 nan 0.000 0.461 996 K N 2.127 122.593 120.400 0.110 0.000 2.172 996 K HA 0.457 4.777 4.320 -0.001 0.000 0.276 996 K C -1.432 175.199 176.600 0.053 0.000 1.013 996 K CA -0.527 55.828 56.287 0.113 0.000 0.913 996 K CB 0.933 33.540 32.500 0.178 0.000 1.055 996 K HN 0.608 nan 8.250 nan 0.000 0.461 997 L N 3.986 125.239 121.223 0.049 0.000 2.360 997 L HA 0.225 4.565 4.340 -0.001 0.000 0.271 997 L C -0.031 176.910 176.870 0.119 0.000 1.057 997 L CA -0.687 54.212 54.840 0.098 0.000 0.803 997 L CB 0.384 42.508 42.059 0.108 0.000 1.207 997 L HN 0.674 nan 8.230 nan 0.000 0.445 998 Y N 2.033 122.371 120.300 0.063 0.000 2.729 998 Y HA -0.083 4.467 4.550 -0.001 0.000 0.331 998 Y C 0.244 176.232 175.900 0.148 0.000 1.208 998 Y CA 0.196 58.350 58.100 0.090 0.000 1.521 998 Y CB -0.079 38.443 38.460 0.102 0.000 1.233 998 Y HN 0.370 nan 8.280 nan 0.000 0.539 999 H N 7.749 126.430 119.070 -0.648 0.000 3.004 999 H HA 0.196 4.751 4.556 -0.001 0.000 0.267 999 H C 0.224 175.088 175.328 -0.773 0.000 1.165 999 H CA -0.102 55.614 56.048 -0.554 0.000 1.450 999 H CB 0.053 29.538 29.762 -0.461 0.000 1.488 999 H HN 0.851 nan 8.280 nan 0.000 0.478 1000 M N 2.110 121.509 119.600 -0.335 0.000 1.921 1000 M HA 0.027 4.507 4.480 -0.001 0.000 0.243 1000 M C 0.869 177.087 176.300 -0.136 0.000 1.280 1000 M CA -0.256 54.971 55.300 -0.123 0.000 0.988 1000 M CB 0.771 33.462 32.600 0.152 0.000 1.336 1000 M HN 0.311 nan 8.290 nan 0.000 0.496 1001 V N 0.875 120.761 119.914 -0.047 0.000 3.510 1001 V HA -0.125 3.995 4.120 -0.001 0.000 0.270 1001 V C 1.616 177.651 176.094 -0.098 0.000 1.201 1001 V CA 1.482 63.732 62.300 -0.084 0.000 1.166 1001 V CB -1.811 29.989 31.823 -0.037 0.000 0.825 1001 V HN 0.899 nan 8.190 nan 0.000 0.484 1002 E N 0.845 121.007 120.200 -0.063 0.000 2.230 1002 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 1002 E C 1.844 178.382 176.600 -0.103 0.000 0.987 1002 E CA 1.298 57.675 56.400 -0.039 0.000 0.841 1002 E CB -0.315 29.382 29.700 -0.004 0.000 0.783 1002 E HN 0.625 nan 8.360 nan 0.000 0.481 1003 D N 1.096 121.378 120.400 -0.196 0.000 2.084 1003 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 1003 D C 0.327 176.461 176.300 -0.276 0.000 0.981 1003 D CA 0.693 54.499 54.000 -0.324 0.000 0.841 1003 D CB -0.019 40.370 40.800 -0.685 0.000 0.997 1003 D HN -0.103 nan 8.370 nan 0.000 0.454 1004 K N 3.068 123.305 120.400 -0.271 0.000 2.160 1004 K HA 0.013 4.333 4.320 -0.001 0.000 0.263 1004 K C 0.517 176.988 176.600 -0.214 0.000 1.120 1004 K CA 0.004 56.169 56.287 -0.203 0.000 1.115 1004 K CB -0.612 31.783 32.500 -0.175 0.000 0.971 1004 K HN 0.461 nan 8.250 nan 0.000 0.400 1005 M N 1.243 120.766 119.600 -0.128 0.000 2.165 1005 M HA -0.109 4.371 4.480 -0.001 0.000 0.338 1005 M C -0.261 176.044 176.300 0.008 0.000 1.023 1005 M CA 1.257 56.528 55.300 -0.049 0.000 0.920 1005 M CB -0.057 32.534 32.600 -0.015 0.000 1.634 1005 M HN 0.252 nan 8.290 nan 0.000 0.461 1006 H N 1.881 121.035 119.070 0.140 0.000 2.708 1006 H HA 0.704 5.259 4.556 -0.001 0.000 0.320 1006 H C -1.068 174.258 175.328 -0.004 0.000 0.991 1006 H CA -0.537 55.675 56.048 0.273 0.000 1.243 1006 H CB 1.561 31.457 29.762 0.224 0.000 1.446 1006 H HN 0.818 nan 8.280 nan 0.000 0.502 1007 A N 4.561 127.229 122.820 -0.253 0.000 2.319 1007 A HA 0.574 4.894 4.320 -0.001 0.000 0.310 1007 A C -0.301 176.766 177.584 -0.863 0.000 1.152 1007 A CA -0.788 50.956 52.037 -0.489 0.000 0.783 1007 A CB 1.139 19.872 19.000 -0.444 0.000 1.184 1007 A HN 0.657 nan 8.150 nan 0.000 0.474 1008 R N 2.410 122.684 120.500 -0.377 0.000 2.513 1008 R HA 0.463 4.802 4.340 -0.001 0.000 0.301 1008 R C 0.498 176.713 176.300 -0.143 0.000 0.968 1008 R CA 0.315 56.267 56.100 -0.246 0.000 0.872 1008 R CB 1.766 32.041 30.300 -0.042 0.000 1.177 1008 R HN 0.859 nan 8.270 nan 0.000 0.444 1009 S N 2.668 118.299 115.700 -0.115 0.000 2.303 1009 S HA 0.122 4.592 4.470 -0.001 0.000 0.207 1009 S C 0.360 174.926 174.600 -0.056 0.000 1.025 1009 S CA 0.695 58.859 58.200 -0.060 0.000 0.953 1009 S CB 0.005 63.188 63.200 -0.028 0.000 0.932 1009 S HN 0.636 nan 8.310 nan 0.000 0.472 1010 T N -0.199 114.300 114.554 -0.091 0.000 2.896 1010 T HA 0.772 5.122 4.350 -0.001 0.000 0.297 1010 T C -0.001 174.571 174.700 -0.213 0.000 1.108 1010 T CA -0.358 61.636 62.100 -0.176 0.000 1.004 1010 T CB 1.689 70.380 68.868 -0.295 0.000 1.159 1010 T HN 0.827 nan 8.240 nan 0.000 0.499 1011 G N 0.889 109.468 108.800 -0.369 0.000 2.539 1011 G HA2 0.579 4.538 3.960 -0.001 0.000 0.138 1011 G HA3 0.579 4.538 3.960 -0.001 0.000 0.138 1011 G C -3.103 171.462 174.900 -0.559 0.000 1.148 1011 G CA -0.642 44.252 45.100 -0.344 0.000 1.057 1011 G HN 0.687 nan 8.290 nan 0.000 0.511 1012 P HA 0.620 nan 4.420 nan 0.000 0.274 1012 P C -1.544 175.481 177.300 -0.458 0.000 1.256 1012 P CA -0.088 62.809 63.100 -0.337 0.000 0.795 1012 P CB 0.417 32.031 31.700 -0.145 0.000 1.038 1013 Y N -2.212 118.076 120.300 -0.020 0.000 2.571 1013 Y HA 0.387 4.937 4.550 -0.001 0.000 0.341 1013 Y C 0.506 176.399 175.900 -0.011 0.000 1.076 1013 Y CA -1.054 57.037 58.100 -0.016 0.000 1.029 1013 Y CB 1.355 39.805 38.460 -0.017 0.000 1.308 1013 Y HN 0.231 nan 8.280 nan 0.000 0.461 1014 S N 1.173 116.978 115.700 0.176 0.000 2.579 1014 S HA 0.136 4.606 4.470 -0.001 0.000 0.275 1014 S C 0.882 175.523 174.600 0.069 0.000 1.345 1014 S CA -0.366 57.887 58.200 0.087 0.000 1.031 1014 S CB 0.513 63.750 63.200 0.061 0.000 0.892 1014 S HN 0.695 nan 8.310 nan 0.000 0.529 1015 L N 4.724 125.974 121.223 0.045 0.000 2.044 1015 L HA 0.056 4.396 4.340 -0.001 0.000 0.205 1015 L C 2.011 178.894 176.870 0.022 0.000 1.075 1015 L CA 1.611 56.471 54.840 0.033 0.000 0.747 1015 L CB -0.523 41.551 42.059 0.024 0.000 0.903 1015 L HN 0.890 nan 8.230 nan 0.000 0.435 1016 I N -3.234 117.348 120.570 0.020 0.000 2.556 1016 I HA 0.081 4.250 4.170 -0.001 0.000 0.251 1016 I C 0.948 177.074 176.117 0.015 0.000 1.105 1016 I CA 0.859 62.168 61.300 0.015 0.000 1.436 1016 I CB -2.112 35.896 38.000 0.013 0.000 1.139 1016 I HN 0.314 nan 8.210 nan 0.000 0.438 1017 T N 0.774 115.338 114.554 0.017 0.000 2.856 1017 T HA 0.281 4.631 4.350 -0.001 0.000 0.292 1017 T C 0.469 175.173 174.700 0.006 0.000 0.980 1017 T CA -0.475 61.634 62.100 0.014 0.000 1.091 1017 T CB 1.801 70.679 68.868 0.017 0.000 0.936 1017 T HN 0.208 nan 8.240 nan 0.000 0.503 1018 Q N 1.849 121.636 119.800 -0.021 0.000 2.244 1018 Q HA 0.126 4.466 4.340 -0.001 0.000 0.239 1018 Q C 0.217 176.155 176.000 -0.104 0.000 0.890 1018 Q CA 0.060 55.817 55.803 -0.077 0.000 0.964 1018 Q CB 0.218 28.877 28.738 -0.133 0.000 1.076 1018 Q HN 0.716 nan 8.270 nan 0.000 0.447 1019 Q N 0.681 120.480 119.800 -0.001 0.000 2.259 1019 Q HA 0.337 4.676 4.340 -0.001 0.000 0.246 1019 Q C -2.285 173.827 176.000 0.187 0.000 0.920 1019 Q CA -2.028 53.804 55.803 0.048 0.000 0.895 1019 Q CB 0.463 29.226 28.738 0.042 0.000 1.220 1019 Q HN 0.021 nan 8.270 nan 0.000 0.439 1020 P HA 0.074 nan 4.420 nan 0.000 0.265 1020 P C -0.953 176.411 177.300 0.107 0.000 1.193 1020 P CA 0.510 63.788 63.100 0.297 0.000 0.765 1020 P CB 0.420 32.252 31.700 0.218 0.000 0.823 1021 L N 2.085 123.331 121.223 0.039 0.000 2.518 1021 L HA 0.641 4.981 4.340 -0.001 0.000 0.257 1021 L C 0.811 177.651 176.870 -0.050 0.000 0.980 1021 L CA -0.141 54.696 54.840 -0.005 0.000 0.837 1021 L CB 2.102 44.171 42.059 0.015 0.000 1.410 1021 L HN 0.452 nan 8.230 nan 0.000 0.410 1022 G N -0.781 107.981 108.800 -0.063 0.000 3.110 1022 G HA2 0.740 4.699 3.960 -0.001 0.000 0.207 1022 G HA3 0.740 4.699 3.960 -0.001 0.000 0.207 1022 G C 0.329 175.192 174.900 -0.062 0.000 1.841 1022 G CA 0.280 45.336 45.100 -0.074 0.000 0.751 1022 G HN 1.139 nan 8.290 nan 0.000 0.771 1023 G N -0.291 108.468 108.800 -0.069 0.000 1.920 1023 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.210 1023 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.210 1023 G C 1.064 175.947 174.900 -0.028 0.000 1.302 1023 G CA 0.773 45.849 45.100 -0.039 0.000 1.333 1023 G HN 0.575 nan 8.290 nan 0.000 0.452 1024 K N 0.305 120.687 120.400 -0.030 0.000 1.965 1024 K HA 0.308 4.627 4.320 -0.001 0.000 0.214 1024 K C 2.715 179.281 176.600 -0.056 0.000 1.042 1024 K CA 2.074 58.347 56.287 -0.023 0.000 0.950 1024 K CB -0.256 32.236 32.500 -0.015 0.000 0.733 1024 K HN 0.556 nan 8.250 nan 0.000 0.441 1025 A N -0.304 122.465 122.820 -0.085 0.000 2.127 1025 A HA 0.112 4.432 4.320 -0.001 0.000 0.204 1025 A C 0.372 177.822 177.584 -0.224 0.000 1.243 1025 A CA -0.017 51.929 52.037 -0.152 0.000 0.887 1025 A CB 0.431 19.368 19.000 -0.105 0.000 0.933 1025 A HN 0.232 nan 8.150 nan 0.000 0.479 1026 Q N 0.086 119.816 119.800 -0.117 0.000 2.389 1026 Q HA 0.500 4.840 4.340 -0.001 0.000 0.244 1026 Q C 0.036 176.030 176.000 -0.010 0.000 1.056 1026 Q CA -0.377 55.410 55.803 -0.027 0.000 0.908 1026 Q CB -0.070 28.655 28.738 -0.022 0.000 1.273 1026 Q HN 0.524 nan 8.270 nan 0.000 0.471 1027 F N 1.791 121.724 119.950 -0.028 0.000 2.065 1027 F HA -0.336 4.191 4.527 -0.001 0.000 0.290 1027 F C 1.450 176.954 175.800 -0.494 0.000 1.079 1027 F CA 1.637 59.532 58.000 -0.176 0.000 1.261 1027 F CB -0.571 38.476 39.000 0.079 0.000 0.968 1027 F HN 0.710 nan 8.300 nan 0.000 0.496 1028 G N -0.889 107.881 108.800 -0.051 0.000 3.067 1028 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 1028 G HA3 0.278 4.238 3.960 -0.001 0.000 0.686 1028 G C -0.160 174.698 174.900 -0.070 0.000 1.119 1028 G CA -0.914 44.123 45.100 -0.105 0.000 0.790 1028 G HN 0.690 nan 8.290 nan 0.000 0.605 1029 G N 0.513 109.297 108.800 -0.026 0.000 2.483 1029 G HA2 0.544 4.504 3.960 -0.001 0.000 0.248 1029 G HA3 0.544 4.504 3.960 -0.001 0.000 0.248 1029 G C 0.255 175.160 174.900 0.009 0.000 1.248 1029 G CA 0.041 45.142 45.100 0.002 0.000 0.838 1029 G HN 0.829 nan 8.290 nan 0.000 0.566 1030 Q N -0.501 119.316 119.800 0.028 0.000 2.368 1030 Q HA 0.326 4.666 4.340 -0.001 0.000 0.237 1030 Q C 0.659 176.699 176.000 0.066 0.000 0.987 1030 Q CA -0.177 55.651 55.803 0.042 0.000 0.896 1030 Q CB 0.738 29.509 28.738 0.055 0.000 1.241 1030 Q HN 0.585 nan 8.270 nan 0.000 0.485 1031 R N 1.535 122.066 120.500 0.053 0.000 2.410 1031 R HA 0.155 4.495 4.340 -0.001 0.000 0.288 1031 R C -0.084 176.276 176.300 0.100 0.000 1.051 1031 R CA -0.050 56.087 56.100 0.061 0.000 1.021 1031 R CB 0.315 30.622 30.300 0.012 0.000 1.032 1031 R HN 0.708 nan 8.270 nan 0.000 0.481 1032 F N 2.541 122.464 119.950 -0.045 0.000 2.746 1032 F HA 0.303 4.829 4.527 -0.000 0.000 0.297 1032 F C 0.866 176.604 175.800 -0.103 0.000 1.113 1032 F CA 0.755 58.720 58.000 -0.058 0.000 1.367 1032 F CB 0.142 39.116 39.000 -0.043 0.000 1.111 1032 F HN 0.864 nan 8.300 nan 0.000 0.590 1033 G N 1.694 110.415 108.800 -0.132 0.000 3.644 1033 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.429 1033 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.429 1033 G C 0.951 175.602 174.900 -0.415 0.000 1.588 1033 G CA 0.337 45.283 45.100 -0.256 0.000 1.288 1033 G HN 0.617 nan 8.290 nan 0.000 0.581 1034 E N 1.464 121.384 120.200 -0.468 0.000 2.110 1034 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 1034 E C 2.486 178.118 176.600 -1.613 0.000 0.988 1034 E CA 1.450 57.377 56.400 -0.789 0.000 0.804 1034 E CB -0.105 29.267 29.700 -0.547 0.000 0.745 1034 E HN 0.565 nan 8.360 nan 0.000 0.458 1035 M N 0.991 119.753 119.600 -1.397 0.000 2.143 1035 M HA -0.221 4.258 4.480 -0.001 0.000 0.258 1035 M C 1.593 177.502 176.300 -0.652 0.000 1.071 1035 M CA 2.042 56.653 55.300 -1.148 0.000 1.088 1035 M CB 0.037 32.313 32.600 -0.539 0.000 1.360 1035 M HN 0.079 nan 8.290 nan 0.000 0.404 1036 E N -1.493 118.311 120.200 -0.661 0.000 2.122 1036 E HA -0.052 4.298 4.350 -0.001 0.000 0.190 1036 E C 1.928 178.216 176.600 -0.521 0.000 0.977 1036 E CA 0.925 56.937 56.400 -0.647 0.000 0.820 1036 E CB -0.304 28.755 29.700 -1.068 0.000 0.770 1036 E HN 0.261 nan 8.360 nan 0.000 0.462 1037 V N 0.744 120.395 119.914 -0.438 0.000 2.287 1037 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 1037 V C 1.824 178.035 176.094 0.196 0.000 1.053 1037 V CA 1.750 64.087 62.300 0.062 0.000 1.027 1037 V CB -0.700 31.161 31.823 0.064 0.000 0.646 1037 V HN 0.369 nan 8.190 nan 0.000 0.447 1038 W N 0.373 121.692 121.300 0.032 0.000 2.335 1038 W HA -0.164 4.495 4.660 -0.000 0.000 0.311 1038 W C 2.831 179.365 176.519 0.026 0.000 1.213 1038 W CA 1.375 58.733 57.345 0.020 0.000 1.274 1038 W CB -1.836 27.616 29.460 -0.014 0.000 1.148 1038 W HN 0.325 nan 8.180 nan 0.000 0.498 1039 A N 0.256 123.211 122.820 0.225 0.000 1.903 1039 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 1039 A C 2.146 179.905 177.584 0.292 0.000 1.191 1039 A CA 2.278 54.418 52.037 0.171 0.000 0.638 1039 A CB -1.030 18.043 19.000 0.122 0.000 0.823 1039 A HN 0.222 nan 8.150 nan 0.000 0.451 1040 L N -0.789 120.633 121.223 0.331 0.000 2.179 1040 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 1040 L C 2.357 179.409 176.870 0.304 0.000 1.096 1040 L CA 1.704 56.781 54.840 0.395 0.000 0.779 1040 L CB -0.449 41.833 42.059 0.373 0.000 0.922 1040 L HN 0.476 nan 8.230 nan 0.000 0.443 1041 E N -0.709 119.645 120.200 0.255 0.000 2.058 1041 E HA -0.299 4.050 4.350 -0.001 0.000 0.194 1041 E C 2.217 178.897 176.600 0.133 0.000 0.997 1041 E CA 1.225 57.741 56.400 0.192 0.000 0.801 1041 E CB -0.195 29.631 29.700 0.210 0.000 0.746 1041 E HN 0.553 nan 8.360 nan 0.000 0.450 1042 A N 0.906 123.779 122.820 0.088 0.000 1.859 1042 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 1042 A C 0.837 178.400 177.584 -0.035 0.000 1.209 1042 A CA 1.329 53.342 52.037 -0.041 0.000 0.639 1042 A CB -1.101 17.791 19.000 -0.180 0.000 0.835 1042 A HN 0.241 nan 8.150 nan 0.000 0.450 1043 Y N -1.150 119.193 120.300 0.072 0.000 2.469 1043 Y HA 0.262 4.812 4.550 -0.000 0.000 0.353 1043 Y C 1.858 177.796 175.900 0.062 0.000 1.269 1043 Y CA 0.284 58.421 58.100 0.062 0.000 1.504 1043 Y CB 0.322 38.822 38.460 0.067 0.000 1.369 1043 Y HN 0.169 nan 8.280 nan 0.000 0.654 1044 G N 0.226 109.173 108.800 0.245 0.000 3.210 1044 G HA2 0.205 4.164 3.960 -0.001 0.000 0.220 1044 G HA3 0.205 4.164 3.960 -0.001 0.000 0.220 1044 G C 0.347 175.337 174.900 0.150 0.000 1.200 1044 G CA 0.146 45.339 45.100 0.155 0.000 0.834 1044 G HN 0.760 nan 8.290 nan 0.000 0.524 1045 A N 0.627 123.556 122.820 0.182 0.000 2.898 1045 A HA 0.571 4.890 4.320 -0.001 0.000 0.288 1045 A C 1.685 179.349 177.584 0.132 0.000 1.771 1045 A CA 0.652 52.772 52.037 0.138 0.000 1.383 1045 A CB -0.243 18.836 19.000 0.132 0.000 1.028 1045 A HN 0.530 nan 8.150 nan 0.000 0.595 1046 A N 1.503 124.404 122.820 0.135 0.000 1.850 1046 A HA -0.016 4.304 4.320 -0.001 0.000 0.212 1046 A C 1.915 179.521 177.584 0.038 0.000 1.208 1046 A CA 1.215 53.304 52.037 0.087 0.000 0.609 1046 A CB -0.718 18.337 19.000 0.092 0.000 0.860 1046 A HN 0.848 nan 8.150 nan 0.000 0.448 1047 H N -0.254 118.822 119.070 0.011 0.000 2.389 1047 H HA -0.082 4.473 4.556 -0.001 0.000 0.299 1047 H C 2.207 177.521 175.328 -0.023 0.000 1.081 1047 H CA 1.742 57.786 56.048 -0.006 0.000 1.345 1047 H CB -0.264 29.493 29.762 -0.009 0.000 1.393 1047 H HN 0.451 nan 8.280 nan 0.000 0.520 1048 T N 1.592 116.208 114.554 0.103 0.000 2.803 1048 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 1048 T C 2.124 176.798 174.700 -0.043 0.000 1.052 1048 T CA 0.950 63.062 62.100 0.020 0.000 1.136 1048 T CB -0.293 68.589 68.868 0.023 0.000 0.864 1048 T HN 0.089 nan 8.240 nan 0.000 0.467 1049 L N 0.914 122.134 121.223 -0.004 0.000 2.095 1049 L HA 0.104 4.444 4.340 -0.001 0.000 0.204 1049 L C 2.545 179.370 176.870 -0.076 0.000 1.080 1049 L CA 1.634 56.453 54.840 -0.035 0.000 0.759 1049 L CB -0.821 41.278 42.059 0.066 0.000 0.914 1049 L HN 0.110 nan 8.230 nan 0.000 0.439 1050 Q N 0.113 119.877 119.800 -0.060 0.000 2.077 1050 Q HA -0.303 4.037 4.340 -0.001 0.000 0.206 1050 Q C 2.198 178.151 176.000 -0.078 0.000 0.989 1050 Q CA 2.435 58.191 55.803 -0.078 0.000 0.853 1050 Q CB -0.350 28.309 28.738 -0.131 0.000 0.907 1050 Q HN 0.634 nan 8.270 nan 0.000 0.418 1051 E N -0.954 119.204 120.200 -0.070 0.000 2.049 1051 E HA -0.271 4.079 4.350 -0.001 0.000 0.198 1051 E C 1.822 178.346 176.600 -0.127 0.000 1.007 1051 E CA 1.674 58.031 56.400 -0.071 0.000 0.809 1051 E CB -0.139 29.530 29.700 -0.052 0.000 0.749 1051 E HN 0.365 nan 8.360 nan 0.000 0.450 1052 M N 0.233 119.697 119.600 -0.227 0.000 2.117 1052 M HA -0.102 4.378 4.480 -0.001 0.000 0.262 1052 M C 1.917 178.087 176.300 -0.216 0.000 1.065 1052 M CA 1.444 56.530 55.300 -0.357 0.000 1.114 1052 M CB -0.154 31.966 32.600 -0.800 0.000 1.361 1052 M HN 0.187 nan 8.290 nan 0.000 0.408 1053 L N -1.639 119.497 121.223 -0.146 0.000 2.418 1053 L HA -0.012 4.328 4.340 -0.001 0.000 0.218 1053 L C 1.706 178.547 176.870 -0.049 0.000 1.125 1053 L CA 1.210 56.010 54.840 -0.067 0.000 0.835 1053 L CB -1.104 40.939 42.059 -0.026 0.000 0.953 1053 L HN 0.454 nan 8.230 nan 0.000 0.454 1054 T N -4.219 110.299 114.554 -0.059 0.000 3.463 1054 T HA 0.124 4.474 4.350 -0.001 0.000 0.203 1054 T C 1.644 176.317 174.700 -0.046 0.000 0.955 1054 T CA -0.303 61.770 62.100 -0.046 0.000 1.230 1054 T CB -0.328 68.516 68.868 -0.040 0.000 1.392 1054 T HN -0.059 nan 8.240 nan 0.000 0.361 1055 L N 1.314 122.516 121.223 -0.035 0.000 2.129 1055 L HA -0.061 4.279 4.340 -0.001 0.000 0.212 1055 L C 2.556 179.420 176.870 -0.010 0.000 1.087 1055 L CA 1.716 56.547 54.840 -0.016 0.000 0.757 1055 L CB -0.496 41.562 42.059 -0.002 0.000 0.896 1055 L HN 0.424 nan 8.230 nan 0.000 0.434 1056 K N -2.014 118.369 120.400 -0.028 0.000 2.356 1056 K HA 0.012 4.332 4.320 -0.001 0.000 0.195 1056 K C 1.869 178.475 176.600 0.009 0.000 1.037 1056 K CA 0.695 56.977 56.287 -0.008 0.000 1.014 1056 K CB 0.522 32.994 32.500 -0.047 0.000 0.815 1056 K HN 0.076 nan 8.250 nan 0.000 0.507 1057 S N -0.268 115.415 115.700 -0.029 0.000 3.171 1057 S HA -0.010 4.460 4.470 -0.001 0.000 0.258 1057 S C 0.929 175.462 174.600 -0.111 0.000 1.083 1057 S CA 0.116 58.303 58.200 -0.023 0.000 0.801 1057 S CB 0.220 63.413 63.200 -0.013 0.000 0.831 1057 S HN 0.170 nan 8.310 nan 0.000 0.462 1058 D N 0.996 121.336 120.400 -0.100 0.000 2.514 1058 D HA 0.145 4.785 4.640 -0.001 0.000 0.249 1058 D C -0.013 176.212 176.300 -0.124 0.000 1.036 1058 D CA 0.150 54.080 54.000 -0.116 0.000 0.911 1058 D CB -0.175 40.597 40.800 -0.047 0.000 1.145 1058 D HN 0.263 nan 8.370 nan 0.000 0.495 1059 D N 1.557 121.904 120.400 -0.088 0.000 2.422 1059 D HA -0.112 4.528 4.640 -0.001 0.000 0.283 1059 D C 1.673 177.914 176.300 -0.097 0.000 1.428 1059 D CA -0.094 53.864 54.000 -0.070 0.000 1.117 1059 D CB 0.025 40.797 40.800 -0.046 0.000 1.120 1059 D HN 0.160 nan 8.370 nan 0.000 0.543 1060 I N 3.902 124.409 120.570 -0.106 0.000 2.099 1060 I HA -0.246 3.924 4.170 -0.001 0.000 0.239 1060 I C 1.757 177.839 176.117 -0.058 0.000 1.066 1060 I CA 1.758 62.986 61.300 -0.120 0.000 1.324 1060 I CB -0.163 37.783 38.000 -0.091 0.000 1.037 1060 I HN 0.372 nan 8.210 nan 0.000 0.401 1061 E N -0.017 120.165 120.200 -0.030 0.000 2.204 1061 E HA -0.098 4.252 4.350 -0.001 0.000 0.194 1061 E C 2.148 178.749 176.600 0.002 0.000 0.989 1061 E CA 0.855 57.251 56.400 -0.006 0.000 0.824 1061 E CB -0.449 29.249 29.700 -0.003 0.000 0.756 1061 E HN 0.729 nan 8.360 nan 0.000 0.477 1062 G N 1.980 110.774 108.800 -0.010 0.000 2.404 1062 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.214 1062 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.214 1062 G C 1.525 176.437 174.900 0.020 0.000 1.189 1062 G CA 0.811 45.911 45.100 0.001 0.000 0.789 1062 G HN 0.215 nan 8.290 nan 0.000 0.533 1063 R N 0.340 120.846 120.500 0.009 0.000 2.117 1063 R HA -0.102 4.238 4.340 -0.001 0.000 0.243 1063 R C 2.081 178.440 176.300 0.097 0.000 1.143 1063 R CA 1.553 57.682 56.100 0.050 0.000 0.968 1063 R CB -0.904 29.419 30.300 0.038 0.000 0.863 1063 R HN 0.307 nan 8.270 nan 0.000 0.444 1064 N N 1.305 120.053 118.700 0.080 0.000 2.028 1064 N HA -0.131 4.609 4.740 -0.001 0.000 0.194 1064 N C 1.915 177.502 175.510 0.129 0.000 1.050 1064 N CA 1.924 55.042 53.050 0.113 0.000 0.848 1064 N CB -0.260 38.272 38.487 0.075 0.000 1.038 1064 N HN 0.361 nan 8.380 nan 0.000 0.423 1065 A N 0.935 123.801 122.820 0.078 0.000 1.986 1065 A HA -0.072 4.248 4.320 -0.001 0.000 0.220 1065 A C 2.374 179.997 177.584 0.065 0.000 1.171 1065 A CA 2.078 54.151 52.037 0.060 0.000 0.640 1065 A CB -0.823 18.197 19.000 0.034 0.000 0.811 1065 A HN 0.496 nan 8.150 nan 0.000 0.451 1066 A N -1.012 121.857 122.820 0.082 0.000 1.845 1066 A HA -0.106 4.214 4.320 -0.001 0.000 0.215 1066 A C 2.110 179.766 177.584 0.119 0.000 1.195 1066 A CA 1.745 53.832 52.037 0.084 0.000 0.616 1066 A CB -1.051 17.999 19.000 0.084 0.000 0.832 1066 A HN 0.702 nan 8.150 nan 0.000 0.443 1067 Y N 0.643 120.954 120.300 0.018 0.000 1.993 1067 Y HA -0.308 4.242 4.550 -0.001 0.000 0.267 1067 Y C 2.448 178.354 175.900 0.009 0.000 1.155 1067 Y CA 2.492 60.602 58.100 0.016 0.000 1.105 1067 Y CB -0.855 37.622 38.460 0.027 0.000 0.960 1067 Y HN 0.570 nan 8.280 nan 0.000 0.486 1068 E N -0.044 120.149 120.200 -0.012 0.000 2.108 1068 E HA -0.336 4.013 4.350 -0.001 0.000 0.203 1068 E C 2.212 178.749 176.600 -0.105 0.000 1.022 1068 E CA 1.612 57.947 56.400 -0.109 0.000 0.823 1068 E CB -0.462 29.240 29.700 0.003 0.000 0.744 1068 E HN 0.577 nan 8.360 nan 0.000 0.456 1069 A N 0.845 123.639 122.820 -0.043 0.000 1.883 1069 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 1069 A C 2.201 179.748 177.584 -0.061 0.000 1.186 1069 A CA 1.732 53.747 52.037 -0.038 0.000 0.624 1069 A CB -0.655 18.339 19.000 -0.009 0.000 0.822 1069 A HN 0.367 nan 8.150 nan 0.000 0.444 1070 I N 0.042 120.572 120.570 -0.068 0.000 2.394 1070 I HA -0.194 3.976 4.170 -0.001 0.000 0.251 1070 I C 1.928 177.970 176.117 -0.126 0.000 1.136 1070 I CA 0.547 61.803 61.300 -0.074 0.000 1.425 1070 I CB -0.209 37.767 38.000 -0.040 0.000 1.079 1070 I HN 0.234 nan 8.210 nan 0.000 0.425 1071 I N 0.863 121.300 120.570 -0.222 0.000 2.361 1071 I HA -0.262 3.908 4.170 -0.001 0.000 0.251 1071 I C 2.407 178.441 176.117 -0.138 0.000 1.133 1071 I CA 1.621 62.778 61.300 -0.238 0.000 1.413 1071 I CB -1.095 36.685 38.000 -0.367 0.000 1.073 1071 I HN 0.258 nan 8.210 nan 0.000 0.424 1072 K N 0.298 120.630 120.400 -0.113 0.000 2.167 1072 K HA 0.035 4.354 4.320 -0.001 0.000 0.203 1072 K C 1.067 177.633 176.600 -0.056 0.000 1.052 1072 K CA 0.894 57.137 56.287 -0.073 0.000 0.956 1072 K CB 0.059 32.522 32.500 -0.061 0.000 0.735 1072 K HN 0.426 nan 8.250 nan 0.000 0.451 1073 G N 1.590 110.356 108.800 -0.056 0.000 2.204 1073 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.244 1073 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.244 1073 G C -0.235 174.645 174.900 -0.033 0.000 1.062 1073 G CA 0.281 45.356 45.100 -0.042 0.000 0.798 1073 G HN 0.384 nan 8.290 nan 0.000 0.496 1074 E N -0.712 119.468 120.200 -0.034 0.000 2.518 1074 E HA 0.445 4.794 4.350 -0.001 0.000 0.248 1074 E C -1.087 175.502 176.600 -0.020 0.000 1.028 1074 E CA -0.854 55.531 56.400 -0.025 0.000 0.922 1074 E CB 0.987 30.672 29.700 -0.024 0.000 1.299 1074 E HN 0.025 nan 8.360 nan 0.000 0.457 1075 D N 1.560 121.952 120.400 -0.014 0.000 2.427 1075 D HA 0.161 4.800 4.640 -0.001 0.000 0.226 1075 D C -0.301 175.998 176.300 -0.001 0.000 1.076 1075 D CA -0.322 53.672 54.000 -0.009 0.000 0.849 1075 D CB 1.155 41.949 40.800 -0.010 0.000 1.052 1075 D HN 0.341 nan 8.370 nan 0.000 0.515 1076 V N 3.058 122.974 119.914 0.004 0.000 2.902 1076 V HA 0.021 4.141 4.120 -0.001 0.000 0.297 1076 V C -2.250 173.853 176.094 0.015 0.000 1.230 1076 V CA -0.681 61.627 62.300 0.013 0.000 1.344 1076 V CB -0.202 31.633 31.823 0.020 0.000 0.889 1076 V HN 0.374 nan 8.190 nan 0.000 0.515 1077 P HA 0.296 nan 4.420 nan 0.000 0.277 1077 P C -0.780 176.530 177.300 0.015 0.000 1.276 1077 P CA -0.326 62.781 63.100 0.013 0.000 0.788 1077 P CB 0.334 32.041 31.700 0.011 0.000 1.114 1078 E N 0.714 120.921 120.200 0.011 0.000 2.167 1078 E HA 0.276 4.625 4.350 -0.001 0.000 0.284 1078 E C -2.061 174.535 176.600 -0.007 0.000 1.016 1078 E CA -1.965 54.439 56.400 0.008 0.000 0.817 1078 E CB -0.751 28.954 29.700 0.008 0.000 1.080 1078 E HN 0.287 nan 8.360 nan 0.000 0.397 1079 P HA -0.134 nan 4.420 nan 0.000 0.262 1079 P C -0.234 177.046 177.300 -0.033 0.000 1.151 1079 P CA 0.611 63.696 63.100 -0.025 0.000 0.757 1079 P CB 0.365 32.044 31.700 -0.035 0.000 0.754 1080 S N 1.648 117.328 115.700 -0.032 0.000 2.687 1080 S HA 0.405 4.875 4.470 -0.001 0.000 0.283 1080 S C 0.029 174.597 174.600 -0.053 0.000 1.170 1080 S CA -0.965 57.211 58.200 -0.039 0.000 1.008 1080 S CB 0.730 63.915 63.200 -0.024 0.000 1.026 1080 S HN 0.162 nan 8.310 nan 0.000 0.541 1081 V N 3.011 122.880 119.914 -0.075 0.000 2.694 1081 V HA 0.165 4.285 4.120 -0.001 0.000 0.306 1081 V C -2.034 174.036 176.094 -0.039 0.000 1.054 1081 V CA -0.741 61.496 62.300 -0.106 0.000 1.161 1081 V CB -0.315 31.398 31.823 -0.184 0.000 0.916 1081 V HN 0.775 nan 8.190 nan 0.000 0.490 1082 P HA 0.180 nan 4.420 nan 0.000 0.275 1082 P C 0.551 177.899 177.300 0.081 0.000 1.227 1082 P CA -0.309 62.810 63.100 0.032 0.000 0.781 1082 P CB 0.698 32.431 31.700 0.055 0.000 0.906 1083 E N 1.258 121.490 120.200 0.053 0.000 2.153 1083 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 1083 E C 1.776 178.443 176.600 0.112 0.000 0.988 1083 E CA 1.555 58.005 56.400 0.082 0.000 0.811 1083 E CB -0.651 29.065 29.700 0.027 0.000 0.746 1083 E HN 0.505 nan 8.360 nan 0.000 0.466 1084 S N 0.234 115.987 115.700 0.088 0.000 2.383 1084 S HA -0.178 4.292 4.470 -0.001 0.000 0.229 1084 S C 2.013 176.685 174.600 0.121 0.000 1.030 1084 S CA 0.969 59.217 58.200 0.080 0.000 1.002 1084 S CB -0.633 62.596 63.200 0.048 0.000 0.829 1084 S HN 0.222 nan 8.310 nan 0.000 0.467 1085 F N 3.115 123.069 119.950 0.007 0.000 2.113 1085 F HA 0.082 4.608 4.527 -0.000 0.000 0.297 1085 F C 2.601 178.404 175.800 0.005 0.000 1.103 1085 F CA 1.074 59.069 58.000 -0.008 0.000 1.248 1085 F CB -0.393 38.587 39.000 -0.034 0.000 0.999 1085 F HN 0.050 nan 8.300 nan 0.000 0.475 1086 R N -0.532 120.201 120.500 0.387 0.000 2.083 1086 R HA -0.163 4.177 4.340 -0.001 0.000 0.237 1086 R C 2.259 178.793 176.300 0.390 0.000 1.137 1086 R CA 1.599 57.947 56.100 0.413 0.000 0.951 1086 R CB -1.249 29.360 30.300 0.515 0.000 0.851 1086 R HN 0.292 nan 8.270 nan 0.000 0.434 1087 V N 1.430 121.486 119.914 0.238 0.000 2.490 1087 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 1087 V C 2.094 178.256 176.094 0.113 0.000 1.061 1087 V CA 1.402 63.793 62.300 0.152 0.000 1.064 1087 V CB -0.190 31.684 31.823 0.087 0.000 0.670 1087 V HN 0.280 nan 8.190 nan 0.000 0.461 1088 L N -0.997 120.272 121.223 0.077 0.000 2.044 1088 L HA -0.085 4.255 4.340 -0.001 0.000 0.205 1088 L C 2.407 179.281 176.870 0.006 0.000 1.075 1088 L CA 1.671 56.503 54.840 -0.014 0.000 0.747 1088 L CB -0.156 41.811 42.059 -0.154 0.000 0.903 1088 L HN 0.222 nan 8.230 nan 0.000 0.435 1089 V N -0.173 119.774 119.914 0.056 0.000 2.282 1089 V HA -0.336 3.783 4.120 -0.001 0.000 0.249 1089 V C 2.616 178.786 176.094 0.127 0.000 1.057 1089 V CA 1.719 64.066 62.300 0.080 0.000 1.032 1089 V CB -0.791 31.084 31.823 0.086 0.000 0.645 1089 V HN 0.380 nan 8.190 nan 0.000 0.447 1090 K N 0.001 120.533 120.400 0.220 0.000 2.097 1090 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 1090 K C 2.139 178.799 176.600 0.099 0.000 1.050 1090 K CA 1.244 57.647 56.287 0.192 0.000 0.938 1090 K CB -0.347 32.282 32.500 0.214 0.000 0.718 1090 K HN 0.616 nan 8.250 nan 0.000 0.442 1091 E N 0.582 120.827 120.200 0.074 0.000 2.085 1091 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 1091 E C 2.081 178.697 176.600 0.026 0.000 0.994 1091 E CA 0.903 57.325 56.400 0.038 0.000 0.801 1091 E CB -0.096 29.616 29.700 0.020 0.000 0.743 1091 E HN 0.132 nan 8.360 nan 0.000 0.453 1092 L N 0.795 122.032 121.223 0.022 0.000 2.156 1092 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 1092 L C 2.453 179.338 176.870 0.026 0.000 1.095 1092 L CA 0.835 55.681 54.840 0.011 0.000 0.770 1092 L CB -0.027 42.026 42.059 -0.009 0.000 0.914 1092 L HN 0.140 nan 8.230 nan 0.000 0.439 1093 Q N -0.737 119.092 119.800 0.049 0.000 2.230 1093 Q HA -0.133 4.207 4.340 -0.001 0.000 0.202 1093 Q C 2.363 178.388 176.000 0.041 0.000 0.963 1093 Q CA 1.275 57.111 55.803 0.054 0.000 0.866 1093 Q CB -0.147 28.644 28.738 0.089 0.000 0.931 1093 Q HN 0.561 nan 8.270 nan 0.000 0.452 1094 A N 0.934 123.776 122.820 0.037 0.000 1.986 1094 A HA -0.110 4.210 4.320 -0.001 0.000 0.220 1094 A C 1.266 178.861 177.584 0.019 0.000 1.171 1094 A CA 0.826 52.879 52.037 0.026 0.000 0.640 1094 A CB -0.398 18.616 19.000 0.023 0.000 0.811 1094 A HN 0.229 nan 8.150 nan 0.000 0.451 1095 L N -1.711 119.522 121.223 0.017 0.000 2.375 1095 L HA 0.411 4.750 4.340 -0.001 0.000 0.271 1095 L C 1.787 178.665 176.870 0.014 0.000 1.107 1095 L CA -0.162 54.685 54.840 0.012 0.000 0.806 1095 L CB 1.108 43.172 42.059 0.007 0.000 1.146 1095 L HN 0.283 nan 8.230 nan 0.000 0.447 1096 A N 3.582 126.409 122.820 0.011 0.000 1.944 1096 A HA -0.169 4.150 4.320 -0.001 0.000 0.222 1096 A C 1.013 178.605 177.584 0.014 0.000 1.237 1096 A CA 1.233 53.277 52.037 0.012 0.000 0.668 1096 A CB -0.839 18.166 19.000 0.009 0.000 0.830 1096 A HN 0.485 nan 8.150 nan 0.000 0.471 1097 L N -0.113 121.117 121.223 0.011 0.000 2.605 1097 L HA 0.045 4.385 4.340 -0.001 0.000 0.296 1097 L C 0.085 176.965 176.870 0.017 0.000 1.255 1097 L CA 0.867 55.713 54.840 0.010 0.000 0.879 1097 L CB -0.848 41.214 42.059 0.004 0.000 1.124 1097 L HN 0.517 nan 8.230 nan 0.000 0.507 1098 D N 1.761 122.171 120.400 0.017 0.000 2.462 1098 D HA 0.384 5.024 4.640 -0.001 0.000 0.245 1098 D C -0.936 175.376 176.300 0.020 0.000 1.122 1098 D CA -0.353 53.661 54.000 0.023 0.000 0.864 1098 D CB 1.156 41.969 40.800 0.021 0.000 1.098 1098 D HN 0.174 nan 8.370 nan 0.000 0.541 1099 V N 4.344 124.272 119.914 0.024 0.000 2.318 1099 V HA 0.353 4.473 4.120 -0.001 0.000 0.271 1099 V C -0.093 176.016 176.094 0.025 0.000 1.030 1099 V CA -0.530 61.786 62.300 0.025 0.000 0.844 1099 V CB 0.866 32.705 31.823 0.027 0.000 1.015 1099 V HN 0.550 nan 8.190 nan 0.000 0.460 1100 Q N 3.980 123.791 119.800 0.018 0.000 2.316 1100 Q HA 0.544 4.884 4.340 -0.001 0.000 0.264 1100 Q C 0.058 176.058 176.000 0.000 0.000 0.987 1100 Q CA -0.370 55.433 55.803 0.001 0.000 0.852 1100 Q CB 1.877 30.615 28.738 0.001 0.000 1.287 1100 Q HN 0.856 nan 8.270 nan 0.000 0.448 1101 T N 1.300 115.836 114.554 -0.031 0.000 2.904 1101 T HA 0.628 4.978 4.350 -0.001 0.000 0.290 1101 T C -0.367 174.312 174.700 -0.034 0.000 1.018 1101 T CA -0.463 61.613 62.100 -0.039 0.000 1.075 1101 T CB 0.548 69.348 68.868 -0.113 0.000 0.986 1101 T HN 0.431 nan 8.240 nan 0.000 0.523 1102 L N 1.397 122.604 121.223 -0.027 0.000 2.327 1102 L HA 0.621 4.960 4.340 -0.001 0.000 0.258 1102 L C 0.035 176.890 176.870 -0.025 0.000 1.024 1102 L CA -0.693 54.134 54.840 -0.022 0.000 0.825 1102 L CB 2.243 44.296 42.059 -0.010 0.000 1.386 1102 L HN 0.833 nan 8.230 nan 0.000 0.417 1103 D N -0.905 119.482 120.400 -0.021 0.000 2.496 1103 D HA 0.195 4.835 4.640 -0.001 0.000 0.283 1103 D C 0.915 177.206 176.300 -0.014 0.000 1.214 1103 D CA -0.185 53.803 54.000 -0.020 0.000 1.089 1103 D CB 0.859 41.648 40.800 -0.018 0.000 1.141 1103 D HN 0.457 nan 8.370 nan 0.000 0.580 1104 E N -0.022 120.170 120.200 -0.013 0.000 2.007 1104 E HA -0.150 4.200 4.350 -0.001 0.000 0.203 1104 E C 0.219 176.814 176.600 -0.007 0.000 1.020 1104 E CA 1.381 57.775 56.400 -0.009 0.000 0.845 1104 E CB -0.644 29.051 29.700 -0.008 0.000 0.779 1104 E HN 0.401 nan 8.360 nan 0.000 0.466 1105 K N 2.502 122.898 120.400 -0.007 0.000 2.298 1105 K HA 0.145 4.465 4.320 -0.001 0.000 0.280 1105 K C -0.239 176.358 176.600 -0.006 0.000 1.032 1105 K CA -0.218 56.066 56.287 -0.005 0.000 0.958 1105 K CB 0.421 32.919 32.500 -0.004 0.000 0.978 1105 K HN -0.163 nan 8.250 nan 0.000 0.472 1106 D N 3.330 123.727 120.400 -0.004 0.000 2.419 1106 D HA -0.035 4.605 4.640 -0.001 0.000 0.281 1106 D C -0.428 175.870 176.300 -0.005 0.000 1.398 1106 D CA 0.737 54.735 54.000 -0.004 0.000 1.047 1106 D CB -0.233 40.566 40.800 -0.002 0.000 1.115 1106 D HN 0.453 nan 8.370 nan 0.000 0.540 1107 N N 1.708 120.404 118.700 -0.007 0.000 2.853 1107 N HA 0.352 5.092 4.740 -0.001 0.000 0.258 1107 N C -2.771 172.733 175.510 -0.012 0.000 1.444 1107 N CA -1.348 51.697 53.050 -0.007 0.000 0.837 1107 N CB 2.632 41.115 38.487 -0.007 0.000 1.489 1107 N HN -0.076 nan 8.380 nan 0.000 0.529 1108 P HA 0.277 nan 4.420 nan 0.000 0.272 1108 P C -0.791 176.494 177.300 -0.025 0.000 1.240 1108 P CA -0.170 62.919 63.100 -0.017 0.000 0.791 1108 P CB 0.851 32.545 31.700 -0.010 0.000 0.978 1109 V N 0.275 120.167 119.914 -0.037 0.000 3.178 1109 V HA 0.355 4.474 4.120 -0.001 0.000 0.302 1109 V C -1.244 174.811 176.094 -0.065 0.000 1.262 1109 V CA -0.444 61.826 62.300 -0.050 0.000 1.030 1109 V CB 2.668 34.453 31.823 -0.064 0.000 1.074 1109 V HN 0.450 nan 8.190 nan 0.000 0.438 1110 D N 1.617 121.978 120.400 -0.066 0.000 2.481 1110 D HA 0.487 5.126 4.640 -0.001 0.000 0.246 1110 D C 0.795 177.031 176.300 -0.106 0.000 1.109 1110 D CA -0.360 53.599 54.000 -0.069 0.000 0.845 1110 D CB 1.792 42.583 40.800 -0.015 0.000 1.160 1110 D HN 0.486 nan 8.370 nan 0.000 0.534 1111 I N 0.277 120.727 120.570 -0.201 0.000 2.162 1111 I HA 0.088 4.258 4.170 -0.001 0.000 0.238 1111 I C 1.030 177.080 176.117 -0.112 0.000 1.076 1111 I CA 0.459 61.590 61.300 -0.282 0.000 1.353 1111 I CB -0.443 37.235 38.000 -0.537 0.000 1.063 1111 I HN 0.142 nan 8.210 nan 0.000 0.408 1112 F N 2.874 122.795 119.950 -0.048 0.000 2.490 1112 F HA 0.066 4.593 4.527 -0.000 0.000 0.357 1112 F C 1.633 177.416 175.800 -0.028 0.000 1.166 1112 F CA -0.610 57.374 58.000 -0.028 0.000 1.116 1112 F CB 0.207 39.202 39.000 -0.009 0.000 1.171 1112 F HN 0.084 nan 8.300 nan 0.000 0.576 1113 E N 2.790 123.083 120.200 0.154 0.000 2.136 1113 E HA -0.199 4.151 4.350 -0.001 0.000 0.202 1113 E C 1.885 178.524 176.600 0.065 0.000 1.019 1113 E CA 1.589 58.032 56.400 0.072 0.000 0.819 1113 E CB -0.068 29.658 29.700 0.044 0.000 0.739 1113 E HN 0.877 nan 8.360 nan 0.000 0.458 1114 G N -1.862 106.981 108.800 0.071 0.000 4.260 1114 G HA2 0.040 3.999 3.960 -0.001 0.000 0.204 1114 G HA3 0.040 3.999 3.960 -0.001 0.000 0.204 1114 G C 0.602 175.520 174.900 0.031 0.000 0.952 1114 G CA -0.254 44.874 45.100 0.047 0.000 0.815 1114 G HN 0.061 nan 8.290 nan 0.000 0.465 1115 L N 1.171 122.406 121.223 0.019 0.000 2.558 1115 L HA 0.430 4.770 4.340 -0.001 0.000 0.225 1115 L C 2.613 179.460 176.870 -0.039 0.000 1.128 1115 L CA 1.527 56.345 54.840 -0.037 0.000 0.868 1115 L CB 0.051 42.046 42.059 -0.106 0.000 1.006 1115 L HN 0.258 nan 8.230 nan 0.000 0.454 1116 A N -1.006 121.835 122.820 0.035 0.000 1.943 1116 A HA 0.055 4.375 4.320 -0.001 0.000 0.213 1116 A C 1.501 179.117 177.584 0.054 0.000 1.181 1116 A CA 0.609 52.688 52.037 0.071 0.000 0.653 1116 A CB -0.500 18.642 19.000 0.237 0.000 0.833 1116 A HN 0.383 nan 8.150 nan 0.000 0.451 1117 S N 0.892 116.622 115.700 0.050 0.000 2.559 1117 S HA 0.187 4.657 4.470 -0.001 0.000 0.282 1117 S C 0.043 174.654 174.600 0.019 0.000 1.336 1117 S CA 0.159 58.379 58.200 0.033 0.000 1.037 1117 S CB 0.053 63.269 63.200 0.027 0.000 0.853 1117 S HN 0.584 nan 8.310 nan 0.000 0.523 1118 K N 2.094 122.503 120.400 0.016 0.000 2.130 1118 K HA 0.667 4.987 4.320 -0.001 0.000 0.268 1118 K C -0.025 176.578 176.600 0.005 0.000 0.983 1118 K CA -0.997 55.295 56.287 0.009 0.000 0.893 1118 K CB 0.900 33.406 32.500 0.010 0.000 1.066 1118 K HN 0.817 nan 8.250 nan 0.000 0.450 1119 R N 0.000 120.501 120.500 0.001 0.000 2.786 1119 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 1119 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 1119 R CB 0.000 30.301 30.300 0.001 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535