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 2o5j_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 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.044 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.036 0.000 1.302 2 E N 3.055 123.193 120.200 -0.103 0.000 2.222 2 E HA 0.824 5.174 4.350 -0.001 0.000 0.267 2 E C -1.013 175.473 176.600 -0.190 0.000 0.963 2 E CA -1.051 55.282 56.400 -0.113 0.000 0.837 2 E CB 2.149 31.792 29.700 -0.095 0.000 1.183 2 E HN 0.421 nan 8.360 nan 0.000 0.403 3 I N 1.474 121.959 120.570 -0.143 0.000 2.439 3 I HA 0.289 4.459 4.170 -0.001 0.000 0.285 3 I C -0.471 175.567 176.117 -0.132 0.000 1.021 3 I CA -0.659 60.548 61.300 -0.155 0.000 1.091 3 I CB 1.126 39.078 38.000 -0.080 0.000 1.242 3 I HN 0.546 nan 8.210 nan 0.000 0.439 4 K N 7.606 127.914 120.400 -0.154 0.000 2.425 4 K HA 0.525 4.845 4.320 -0.001 0.000 0.259 4 K C -0.431 175.917 176.600 -0.421 0.000 0.978 4 K CA -0.655 55.485 56.287 -0.244 0.000 0.883 4 K CB 1.314 33.668 32.500 -0.244 0.000 1.110 4 K HN 0.705 nan 8.250 nan 0.000 0.436 5 R N 3.967 124.294 120.500 -0.289 0.000 2.207 5 R HA 0.268 4.608 4.340 -0.001 0.000 0.334 5 R C -0.266 175.944 176.300 -0.150 0.000 1.013 5 R CA -0.582 55.434 56.100 -0.141 0.000 0.858 5 R CB 0.303 30.597 30.300 -0.010 0.000 1.094 5 R HN 0.368 nan 8.270 nan 0.000 0.457 6 F N 1.891 121.886 119.950 0.074 0.000 2.104 6 F HA 0.161 4.687 4.527 -0.000 0.000 0.288 6 F C 1.850 177.689 175.800 0.065 0.000 1.107 6 F CA 0.609 58.655 58.000 0.076 0.000 1.208 6 F CB -0.768 38.286 39.000 0.089 0.000 1.033 6 F HN 0.714 nan 8.300 nan 0.000 0.478 7 G N 1.562 110.536 108.800 0.290 0.000 2.254 7 G HA2 0.256 4.216 3.960 -0.001 0.000 0.253 7 G HA3 0.256 4.216 3.960 -0.001 0.000 0.253 7 G C -0.317 174.658 174.900 0.125 0.000 1.246 7 G CA -0.345 44.862 45.100 0.178 0.000 0.946 7 G HN -0.014 nan 8.290 nan 0.000 0.474 8 R N 1.975 122.537 120.500 0.104 0.000 2.363 8 R HA 0.360 4.700 4.340 -0.001 0.000 0.297 8 R C -0.737 175.601 176.300 0.063 0.000 1.208 8 R CA -1.231 54.913 56.100 0.075 0.000 1.121 8 R CB 0.631 30.969 30.300 0.064 0.000 1.124 8 R HN 0.494 nan 8.270 nan 0.000 0.561 9 I N 0.029 120.635 120.570 0.060 0.000 2.447 9 I HA 0.454 4.623 4.170 -0.001 0.000 0.287 9 I C 0.275 176.412 176.117 0.035 0.000 1.023 9 I CA -1.091 60.237 61.300 0.047 0.000 1.083 9 I CB 1.334 39.367 38.000 0.055 0.000 1.245 9 I HN -0.073 nan 8.210 nan 0.000 0.434 10 R N 4.062 124.574 120.500 0.020 0.000 2.413 10 R HA 0.118 4.457 4.340 -0.001 0.000 0.333 10 R C -0.363 175.937 176.300 0.000 0.000 1.074 10 R CA -0.050 56.058 56.100 0.013 0.000 0.982 10 R CB -0.304 29.999 30.300 0.006 0.000 0.981 10 R HN 0.634 nan 8.270 nan 0.000 0.452 11 E N 2.228 122.437 120.200 0.014 0.000 2.168 11 E HA -0.086 4.264 4.350 -0.001 0.000 0.254 11 E C 1.200 177.793 176.600 -0.012 0.000 1.228 11 E CA -0.088 56.316 56.400 0.005 0.000 0.956 11 E CB 0.541 30.280 29.700 0.065 0.000 1.031 11 E HN 0.283 nan 8.360 nan 0.000 0.441 12 V N 5.101 124.979 119.914 -0.060 0.000 2.427 12 V HA -0.096 4.024 4.120 -0.001 0.000 0.248 12 V C 0.645 176.719 176.094 -0.033 0.000 1.051 12 V CA 1.533 63.801 62.300 -0.052 0.000 1.048 12 V CB 0.004 31.780 31.823 -0.079 0.000 0.666 12 V HN 0.465 nan 8.190 nan 0.000 0.456 13 I N -1.625 118.917 120.570 -0.048 0.000 2.865 13 I HA 0.542 4.711 4.170 -0.001 0.000 0.302 13 I C -2.788 173.450 176.117 0.203 0.000 1.140 13 I CA -2.475 58.853 61.300 0.048 0.000 1.021 13 I CB 1.519 39.546 38.000 0.045 0.000 1.233 13 I HN -0.103 nan 8.210 nan 0.000 0.427 14 P HA 0.309 nan 4.420 nan 0.000 0.274 14 P C -0.890 176.601 177.300 0.319 0.000 1.237 14 P CA -0.497 62.749 63.100 0.243 0.000 0.793 14 P CB 0.499 32.264 31.700 0.108 0.000 0.977 15 L N 3.292 124.546 121.223 0.052 0.000 2.462 15 L HA 0.220 4.559 4.340 -0.001 0.000 0.272 15 L C -1.860 174.958 176.870 -0.086 0.000 1.166 15 L CA -0.865 53.804 54.840 -0.286 0.000 0.880 15 L CB -1.003 40.773 42.059 -0.472 0.000 1.142 15 L HN 0.324 nan 8.230 nan 0.000 0.473 16 P HA 0.037 nan 4.420 nan 0.000 0.270 16 P C -2.474 174.783 177.300 -0.071 0.000 1.221 16 P CA -0.831 62.250 63.100 -0.032 0.000 0.788 16 P CB -0.153 31.519 31.700 -0.046 0.000 0.904 17 P HA 0.003 nan 4.420 nan 0.000 0.260 17 P C 0.491 177.743 177.300 -0.081 0.000 1.207 17 P CA 0.298 63.353 63.100 -0.075 0.000 0.780 17 P CB -0.019 31.641 31.700 -0.067 0.000 0.789 18 L N 3.212 124.383 121.223 -0.087 0.000 2.137 18 L HA -0.245 4.095 4.340 -0.001 0.000 0.213 18 L C 2.261 179.086 176.870 -0.075 0.000 1.085 18 L CA 2.562 57.353 54.840 -0.082 0.000 0.760 18 L CB -1.734 40.278 42.059 -0.078 0.000 0.893 18 L HN 0.401 nan 8.230 nan 0.000 0.434 19 T N -4.266 110.242 114.554 -0.077 0.000 3.081 19 T HA -0.070 4.280 4.350 -0.001 0.000 0.255 19 T C 1.612 176.270 174.700 -0.071 0.000 1.113 19 T CA 0.519 62.573 62.100 -0.077 0.000 1.082 19 T CB -0.233 68.586 68.868 -0.082 0.000 0.939 19 T HN 0.471 nan 8.240 nan 0.000 0.506 20 E N 1.024 121.183 120.200 -0.069 0.000 2.136 20 E HA -0.229 4.121 4.350 -0.001 0.000 0.202 20 E C 1.694 178.259 176.600 -0.057 0.000 1.019 20 E CA 1.607 57.969 56.400 -0.063 0.000 0.819 20 E CB -0.347 29.310 29.700 -0.072 0.000 0.739 20 E HN 0.536 nan 8.360 nan 0.000 0.458 21 I N 1.378 121.910 120.570 -0.064 0.000 2.286 21 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 21 I C 2.540 178.631 176.117 -0.043 0.000 1.115 21 I CA 1.420 62.685 61.300 -0.057 0.000 1.392 21 I CB -0.383 37.578 38.000 -0.065 0.000 1.065 21 I HN 0.182 nan 8.210 nan 0.000 0.418 22 Q N -0.482 119.286 119.800 -0.055 0.000 2.123 22 Q HA -0.054 4.286 4.340 -0.001 0.000 0.196 22 Q C 2.391 178.382 176.000 -0.015 0.000 0.958 22 Q CA 1.299 57.067 55.803 -0.058 0.000 0.841 22 Q CB -0.322 28.349 28.738 -0.111 0.000 0.915 22 Q HN 0.362 nan 8.270 nan 0.000 0.455 23 V N 2.160 122.060 119.914 -0.024 0.000 2.223 23 V HA -0.255 3.865 4.120 -0.001 0.000 0.244 23 V C 2.245 178.362 176.094 0.039 0.000 1.045 23 V CA 1.984 64.287 62.300 0.005 0.000 1.000 23 V CB -0.709 31.099 31.823 -0.025 0.000 0.635 23 V HN 0.310 nan 8.190 nan 0.000 0.445 24 E N 1.268 121.475 120.200 0.011 0.000 2.085 24 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 24 E C 2.497 179.122 176.600 0.042 0.000 0.994 24 E CA 1.827 58.234 56.400 0.013 0.000 0.801 24 E CB -0.755 28.938 29.700 -0.012 0.000 0.743 24 E HN 0.774 nan 8.360 nan 0.000 0.453 25 S N 0.849 116.579 115.700 0.050 0.000 2.365 25 S HA -0.230 4.240 4.470 -0.001 0.000 0.225 25 S C 2.116 176.820 174.600 0.174 0.000 1.039 25 S CA 1.209 59.455 58.200 0.077 0.000 1.033 25 S CB -0.750 62.482 63.200 0.053 0.000 0.887 25 S HN 0.226 nan 8.310 nan 0.000 0.447 26 Y N 3.081 123.391 120.300 0.017 0.000 2.421 26 Y HA 0.138 4.687 4.550 -0.000 0.000 0.292 26 Y C 2.592 178.511 175.900 0.032 0.000 1.136 26 Y CA 0.453 58.581 58.100 0.046 0.000 1.255 26 Y CB -0.675 37.821 38.460 0.059 0.000 0.991 26 Y HN 0.384 nan 8.280 nan 0.000 0.552 27 R N 0.386 120.931 120.500 0.075 0.000 2.064 27 R HA -0.126 4.213 4.340 -0.001 0.000 0.228 27 R C 2.335 178.634 176.300 -0.003 0.000 1.144 27 R CA 1.867 57.961 56.100 -0.010 0.000 0.932 27 R CB -0.317 29.983 30.300 0.002 0.000 0.833 27 R HN 0.156 nan 8.270 nan 0.000 0.429 28 R N 0.415 120.929 120.500 0.023 0.000 2.127 28 R HA -0.095 4.245 4.340 -0.001 0.000 0.238 28 R C 2.374 178.683 176.300 0.015 0.000 1.134 28 R CA 1.138 57.250 56.100 0.020 0.000 0.975 28 R CB -0.529 29.784 30.300 0.021 0.000 0.865 28 R HN 0.373 nan 8.270 nan 0.000 0.447 29 A N 2.235 125.085 122.820 0.049 0.000 1.851 29 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 29 A C 1.067 178.625 177.584 -0.043 0.000 1.195 29 A CA 1.204 53.275 52.037 0.056 0.000 0.622 29 A CB -0.498 18.654 19.000 0.253 0.000 0.831 29 A HN 0.247 nan 8.150 nan 0.000 0.444 30 L N -2.517 118.657 121.223 -0.081 0.000 2.313 30 L HA 0.462 4.802 4.340 -0.001 0.000 0.273 30 L C 0.464 177.320 176.870 -0.023 0.000 1.028 30 L CA -0.189 54.583 54.840 -0.113 0.000 0.871 30 L CB 0.867 42.796 42.059 -0.217 0.000 1.242 30 L HN 0.421 nan 8.230 nan 0.000 0.434 31 Q N 2.385 122.234 119.800 0.082 0.000 2.515 31 Q HA -0.020 4.320 4.340 -0.001 0.000 0.214 31 Q C 1.670 177.761 176.000 0.152 0.000 0.971 31 Q CA 0.695 56.580 55.803 0.137 0.000 0.952 31 Q CB 0.324 29.184 28.738 0.203 0.000 0.999 31 Q HN 0.963 nan 8.270 nan 0.000 0.524 32 A N 1.140 124.063 122.820 0.171 0.000 1.997 32 A HA -0.241 4.079 4.320 -0.001 0.000 0.221 32 A C 1.554 179.115 177.584 -0.039 0.000 1.172 32 A CA 1.862 53.932 52.037 0.056 0.000 0.645 32 A CB -0.393 18.638 19.000 0.052 0.000 0.813 32 A HN 0.508 nan 8.150 nan 0.000 0.454 33 D N -0.493 119.891 120.400 -0.027 0.000 2.218 33 D HA -0.030 4.610 4.640 -0.001 0.000 0.204 33 D C 0.834 177.106 176.300 -0.046 0.000 0.976 33 D CA 1.441 55.418 54.000 -0.038 0.000 0.853 33 D CB -0.223 40.559 40.800 -0.029 0.000 0.939 33 D HN 0.414 nan 8.370 nan 0.000 0.481 34 V N -0.963 118.926 119.914 -0.041 0.000 2.667 34 V HA 0.432 4.552 4.120 -0.001 0.000 0.308 34 V C -2.481 173.561 176.094 -0.087 0.000 1.048 34 V CA -2.442 59.829 62.300 -0.049 0.000 0.928 34 V CB 1.276 33.085 31.823 -0.023 0.000 1.004 34 V HN -0.261 nan 8.190 nan 0.000 0.444 35 P HA 0.137 nan 4.420 nan 0.000 0.269 35 P C -2.191 175.027 177.300 -0.136 0.000 1.205 35 P CA -0.708 62.310 63.100 -0.135 0.000 0.780 35 P CB -0.143 31.497 31.700 -0.101 0.000 0.858 36 P HA -0.143 nan 4.420 nan 0.000 0.228 36 P C 0.975 178.260 177.300 -0.025 0.000 1.151 36 P CA 1.272 64.302 63.100 -0.117 0.000 0.770 36 P CB -0.067 31.530 31.700 -0.171 0.000 0.786 37 E N -0.068 120.102 120.200 -0.051 0.000 2.051 37 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 37 E C 0.469 177.068 176.600 -0.003 0.000 0.991 37 E CA 0.772 57.155 56.400 -0.028 0.000 0.799 37 E CB -0.278 29.398 29.700 -0.041 0.000 0.748 37 E HN 0.267 nan 8.360 nan 0.000 0.449 38 K N 1.746 122.144 120.400 -0.004 0.000 2.491 38 K HA -0.036 4.284 4.320 -0.001 0.000 0.279 38 K C 0.906 177.529 176.600 0.038 0.000 1.026 38 K CA 0.227 56.522 56.287 0.012 0.000 1.070 38 K CB 0.549 33.053 32.500 0.007 0.000 0.887 38 K HN 0.044 nan 8.250 nan 0.000 0.481 39 R N 1.414 121.934 120.500 0.033 0.000 2.091 39 R HA -0.112 4.228 4.340 -0.001 0.000 0.238 39 R C 0.575 176.904 176.300 0.049 0.000 1.136 39 R CA 0.983 57.107 56.100 0.040 0.000 0.959 39 R CB -0.203 30.114 30.300 0.028 0.000 0.856 39 R HN 0.546 nan 8.270 nan 0.000 0.437 40 E N 2.087 122.313 120.200 0.045 0.000 2.481 40 E HA -0.116 4.234 4.350 -0.001 0.000 0.240 40 E C -0.220 176.415 176.600 0.059 0.000 1.193 40 E CA 0.317 56.743 56.400 0.043 0.000 0.955 40 E CB -0.491 29.230 29.700 0.035 0.000 1.006 40 E HN 0.518 nan 8.360 nan 0.000 0.483 41 N N 1.161 119.891 118.700 0.050 0.000 2.273 41 N HA 0.019 4.759 4.740 -0.001 0.000 0.231 41 N C 0.398 175.907 175.510 -0.001 0.000 1.134 41 N CA -0.344 52.734 53.050 0.047 0.000 0.856 41 N CB 0.451 38.975 38.487 0.063 0.000 1.068 41 N HN 0.052 nan 8.380 nan 0.000 0.510 42 V N -2.894 117.017 119.914 -0.005 0.000 3.489 42 V HA 0.714 4.834 4.120 -0.001 0.000 0.297 42 V C 1.588 177.640 176.094 -0.070 0.000 1.071 42 V CA -0.108 62.178 62.300 -0.023 0.000 1.074 42 V CB 0.196 32.017 31.823 -0.002 0.000 1.188 42 V HN 0.361 nan 8.190 nan 0.000 0.458 43 G N -0.381 108.374 108.800 -0.076 0.000 2.611 43 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.301 43 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.301 43 G C 0.648 175.392 174.900 -0.261 0.000 1.233 43 G CA 0.668 45.691 45.100 -0.128 0.000 0.993 43 G HN 0.998 nan 8.290 nan 0.000 0.553 44 I N 0.358 120.689 120.570 -0.398 0.000 2.195 44 I HA -0.393 3.776 4.170 -0.001 0.000 0.232 44 I C 2.930 178.714 176.117 -0.555 0.000 0.986 44 I CA 2.994 63.894 61.300 -0.666 0.000 1.283 44 I CB -0.635 36.944 38.000 -0.702 0.000 0.990 44 I HN 0.763 nan 8.210 nan 0.000 0.390 45 Q N 0.243 119.674 119.800 -0.614 0.000 2.112 45 Q HA -0.269 4.071 4.340 -0.001 0.000 0.206 45 Q C 2.174 178.040 176.000 -0.224 0.000 0.987 45 Q CA 2.332 57.855 55.803 -0.467 0.000 0.858 45 Q CB -0.136 28.449 28.738 -0.255 0.000 0.905 45 Q HN 0.612 nan 8.270 nan 0.000 0.420 46 A N 0.601 123.324 122.820 -0.162 0.000 1.858 46 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 46 A C 2.305 179.848 177.584 -0.069 0.000 1.190 46 A CA 1.805 53.792 52.037 -0.082 0.000 0.617 46 A CB -1.201 17.763 19.000 -0.060 0.000 0.827 46 A HN 0.569 nan 8.150 nan 0.000 0.443 47 A N -1.675 121.080 122.820 -0.109 0.000 1.978 47 A HA -0.019 4.300 4.320 -0.001 0.000 0.220 47 A C 1.943 179.512 177.584 -0.025 0.000 1.170 47 A CA 1.582 53.579 52.037 -0.067 0.000 0.636 47 A CB -0.663 18.299 19.000 -0.062 0.000 0.810 47 A HN 0.446 nan 8.150 nan 0.000 0.448 48 F N 0.815 120.691 119.950 -0.125 0.000 2.060 48 F HA -0.139 4.388 4.527 -0.000 0.000 0.295 48 F C 2.694 178.468 175.800 -0.044 0.000 1.120 48 F CA 1.737 59.665 58.000 -0.121 0.000 1.205 48 F CB -0.399 38.263 39.000 -0.564 0.000 0.986 48 F HN 0.336 nan 8.300 nan 0.000 0.470 49 R N 0.524 121.070 120.500 0.077 0.000 2.148 49 R HA -0.161 4.178 4.340 -0.001 0.000 0.227 49 R C 1.885 178.254 176.300 0.114 0.000 1.103 49 R CA 1.513 57.675 56.100 0.102 0.000 0.983 49 R CB -1.229 29.098 30.300 0.044 0.000 0.874 49 R HN 0.385 nan 8.270 nan 0.000 0.451 50 E N 1.843 122.085 120.200 0.070 0.000 2.118 50 E HA -0.184 4.165 4.350 -0.001 0.000 0.195 50 E C 0.995 177.625 176.600 0.050 0.000 0.992 50 E CA 2.041 58.464 56.400 0.037 0.000 0.804 50 E CB 0.117 29.820 29.700 0.004 0.000 0.741 50 E HN 0.478 nan 8.360 nan 0.000 0.458 51 T N -2.508 112.097 114.554 0.085 0.000 3.170 51 T HA 0.113 4.463 4.350 -0.001 0.000 0.288 51 T C 0.934 175.704 174.700 0.118 0.000 0.992 51 T CA -0.536 61.598 62.100 0.057 0.000 0.909 51 T CB -0.312 68.546 68.868 -0.017 0.000 1.133 51 T HN 0.038 nan 8.240 nan 0.000 0.530 52 F N 3.053 123.063 119.950 0.100 0.000 2.147 52 F HA 0.367 4.894 4.527 -0.001 0.000 0.291 52 F C -1.820 174.039 175.800 0.098 0.000 1.093 52 F CA -0.401 57.686 58.000 0.145 0.000 1.263 52 F CB -0.463 38.659 39.000 0.203 0.000 1.036 52 F HN 0.093 nan 8.300 nan 0.000 0.481 53 P HA 0.001 nan 4.420 nan 0.000 0.262 53 P C -0.288 177.092 177.300 0.134 0.000 1.455 53 P CA 0.544 63.785 63.100 0.235 0.000 1.217 53 P CB -0.401 31.390 31.700 0.152 0.000 1.625 54 I N 2.139 122.776 120.570 0.111 0.000 2.363 54 I HA 0.132 4.301 4.170 -0.001 0.000 0.292 54 I C 0.266 176.403 176.117 0.032 0.000 1.075 54 I CA -0.556 60.768 61.300 0.040 0.000 1.333 54 I CB 0.365 38.363 38.000 -0.003 0.000 1.415 54 I HN 0.088 nan 8.210 nan 0.000 0.502 55 E N 6.578 126.792 120.200 0.024 0.000 2.081 55 E HA 0.250 4.599 4.350 -0.001 0.000 0.276 55 E C -1.075 175.530 176.600 0.009 0.000 0.950 55 E CA -0.449 55.962 56.400 0.019 0.000 0.776 55 E CB 0.811 30.525 29.700 0.024 0.000 1.094 55 E HN 0.457 nan 8.360 nan 0.000 0.402 56 E N 3.692 123.894 120.200 0.004 0.000 2.235 56 E HA 0.190 4.540 4.350 -0.001 0.000 0.252 56 E C -0.478 176.123 176.600 0.003 0.000 0.886 56 E CA -0.351 56.049 56.400 -0.000 0.000 0.767 56 E CB 1.165 30.860 29.700 -0.008 0.000 1.205 56 E HN 0.621 nan 8.360 nan 0.000 0.421 57 E N 3.121 123.327 120.200 0.009 0.000 2.118 57 E HA 0.205 4.555 4.350 -0.001 0.000 0.203 57 E C -0.513 176.093 176.600 0.011 0.000 0.958 57 E CA 0.427 56.834 56.400 0.012 0.000 0.957 57 E CB 0.376 30.087 29.700 0.019 0.000 1.205 57 E HN 0.383 nan 8.360 nan 0.000 0.494 58 D N 0.106 120.514 120.400 0.013 0.000 2.757 58 D HA 0.406 5.046 4.640 -0.001 0.000 0.249 58 D C -1.153 175.152 176.300 0.008 0.000 1.168 58 D CA -0.284 53.723 54.000 0.011 0.000 0.870 58 D CB 1.738 42.546 40.800 0.013 0.000 1.411 58 D HN 0.072 nan 8.370 nan 0.000 0.525 59 K N 1.287 121.691 120.400 0.006 0.000 2.429 59 K HA 0.388 4.708 4.320 -0.001 0.000 0.286 59 K C 0.102 176.705 176.600 0.005 0.000 1.592 59 K CA -0.151 56.139 56.287 0.004 0.000 0.894 59 K CB 0.785 33.286 32.500 0.001 0.000 1.417 59 K HN 0.725 nan 8.250 nan 0.000 0.457 60 G N 2.290 111.094 108.800 0.006 0.000 2.947 60 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.251 60 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.251 60 G C -0.918 173.988 174.900 0.010 0.000 1.481 60 G CA 0.103 45.207 45.100 0.008 0.000 1.006 60 G HN 0.332 nan 8.290 nan 0.000 0.561 61 K N 1.145 121.552 120.400 0.011 0.000 2.345 61 K HA 0.644 4.963 4.320 -0.001 0.000 0.255 61 K C 0.317 176.924 176.600 0.013 0.000 0.934 61 K CA 0.197 56.493 56.287 0.015 0.000 0.801 61 K CB 1.357 33.869 32.500 0.021 0.000 1.137 61 K HN 1.259 nan 8.250 nan 0.000 0.424 62 G N 0.611 109.418 108.800 0.012 0.000 3.100 62 G HA2 0.506 4.466 3.960 -0.001 0.000 0.174 62 G HA3 0.506 4.466 3.960 -0.001 0.000 0.174 62 G C 0.237 175.139 174.900 0.004 0.000 1.136 62 G CA -0.111 44.992 45.100 0.005 0.000 0.881 62 G HN 1.001 nan 8.290 nan 0.000 0.616 63 G N -0.968 107.832 108.800 0.000 0.000 2.142 63 G HA2 0.110 4.070 3.960 -0.001 0.000 0.225 63 G HA3 0.110 4.070 3.960 -0.001 0.000 0.225 63 G C 0.204 175.092 174.900 -0.019 0.000 1.015 63 G CA 0.374 45.475 45.100 0.001 0.000 0.716 63 G HN 1.584 nan 8.290 nan 0.000 0.508 64 L N 0.696 121.902 121.223 -0.029 0.000 2.455 64 L HA 0.629 4.968 4.340 -0.001 0.000 0.272 64 L C 0.172 177.026 176.870 -0.027 0.000 1.174 64 L CA -0.302 54.505 54.840 -0.054 0.000 0.869 64 L CB 1.427 43.459 42.059 -0.044 0.000 1.130 64 L HN 0.556 nan 8.230 nan 0.000 0.474 65 V N 5.542 125.434 119.914 -0.037 0.000 2.501 65 V HA 0.342 4.462 4.120 -0.001 0.000 0.277 65 V C -0.561 175.557 176.094 0.039 0.000 1.004 65 V CA -0.617 61.691 62.300 0.013 0.000 0.862 65 V CB 0.781 32.614 31.823 0.016 0.000 1.035 65 V HN 0.813 nan 8.190 nan 0.000 0.448 66 L N 2.769 124.049 121.223 0.096 0.000 2.272 66 L HA 0.939 5.279 4.340 -0.001 0.000 0.289 66 L C -0.888 176.209 176.870 0.379 0.000 1.032 66 L CA 0.796 55.754 54.840 0.196 0.000 0.810 66 L CB 1.200 43.351 42.059 0.152 0.000 1.205 66 L HN 0.555 nan 8.230 nan 0.000 0.422 67 D N 3.574 124.159 120.400 0.309 0.000 2.601 67 D HA 0.308 4.947 4.640 -0.001 0.000 0.230 67 D C -1.319 174.713 176.300 -0.447 0.000 1.106 67 D CA -0.044 54.028 54.000 0.120 0.000 0.873 67 D CB 1.858 42.676 40.800 0.030 0.000 1.515 67 D HN 0.394 nan 8.370 nan 0.000 0.468 68 F N 1.836 120.997 119.950 -1.314 0.000 2.427 68 F HA 0.255 4.782 4.527 -0.000 0.000 0.352 68 F C -0.044 175.364 175.800 -0.654 0.000 1.100 68 F CA -0.120 56.922 58.000 -1.597 0.000 1.191 68 F CB 0.427 38.522 39.000 -1.509 0.000 1.128 68 F HN 0.251 nan 8.300 nan 0.000 0.533 69 L N 3.028 123.414 121.223 -1.395 0.000 2.546 69 L HA 0.333 4.673 4.340 -0.001 0.000 0.185 69 L C -0.127 175.873 176.870 -1.449 0.000 1.247 69 L CA 0.476 54.694 54.840 -1.037 0.000 0.848 69 L CB -0.342 41.363 42.059 -0.589 0.000 1.133 69 L HN 0.462 nan 8.230 nan 0.000 0.504 70 E N -0.554 118.862 120.200 -1.306 0.000 2.308 70 E HA 0.297 4.647 4.350 -0.001 0.000 0.275 70 E C -1.803 174.547 176.600 -0.416 0.000 0.890 70 E CA -0.627 55.283 56.400 -0.817 0.000 0.754 70 E CB 2.178 31.615 29.700 -0.440 0.000 1.207 70 E HN 0.157 nan 8.360 nan 0.000 0.426 71 Y N 0.225 120.586 120.300 0.102 0.000 2.326 71 Y HA 0.646 5.195 4.550 -0.000 0.000 0.337 71 Y C -0.356 175.561 175.900 0.029 0.000 1.023 71 Y CA -1.012 57.196 58.100 0.181 0.000 1.143 71 Y CB 0.844 39.504 38.460 0.334 0.000 1.183 71 Y HN 0.399 nan 8.280 nan 0.000 0.485 72 R N 5.589 126.013 120.500 -0.127 0.000 2.533 72 R HA 0.753 5.093 4.340 -0.001 0.000 0.288 72 R C -1.969 174.165 176.300 -0.276 0.000 1.039 72 R CA -0.996 54.948 56.100 -0.261 0.000 0.909 72 R CB 1.538 31.652 30.300 -0.311 0.000 1.195 72 R HN 0.878 nan 8.270 nan 0.000 0.438 73 L N -0.615 120.498 121.223 -0.183 0.000 2.386 73 L HA 0.989 5.328 4.340 -0.001 0.000 0.271 73 L C -0.011 176.780 176.870 -0.132 0.000 0.993 73 L CA -0.670 54.077 54.840 -0.155 0.000 0.819 73 L CB 2.471 44.530 42.059 0.000 0.000 1.294 73 L HN 0.877 nan 8.230 nan 0.000 0.414 74 G N 0.587 109.320 108.800 -0.111 0.000 3.069 74 G HA2 0.081 4.041 3.960 -0.001 0.000 0.170 74 G HA3 0.081 4.041 3.960 -0.001 0.000 0.170 74 G C -0.189 174.687 174.900 -0.039 0.000 1.494 74 G CA -0.112 44.944 45.100 -0.073 0.000 0.737 74 G HN 0.440 nan 8.290 nan 0.000 0.992 75 E N 2.312 122.506 120.200 -0.010 0.000 2.073 75 E HA 0.436 4.786 4.350 -0.001 0.000 0.269 75 E C -2.569 174.001 176.600 -0.050 0.000 0.917 75 E CA -2.197 54.192 56.400 -0.018 0.000 0.757 75 E CB 1.735 31.438 29.700 0.006 0.000 1.111 75 E HN 0.149 nan 8.360 nan 0.000 0.410 76 P HA 0.019 nan 4.420 nan 0.000 0.264 76 P C -1.844 175.361 177.300 -0.158 0.000 1.183 76 P CA -0.829 62.182 63.100 -0.148 0.000 0.763 76 P CB 0.277 31.854 31.700 -0.204 0.000 0.807 77 P HA -0.092 nan 4.420 nan 0.000 0.213 77 P C -0.195 176.694 177.300 -0.685 0.000 1.170 77 P CA 1.541 64.421 63.100 -0.367 0.000 0.898 77 P CB 0.047 31.700 31.700 -0.079 0.000 0.787 78 F N -2.345 117.614 119.950 0.016 0.000 2.764 78 F HA 0.574 5.101 4.527 -0.001 0.000 0.347 78 F C -2.355 173.524 175.800 0.131 0.000 1.151 78 F CA -2.281 55.764 58.000 0.074 0.000 1.021 78 F CB 0.348 39.410 39.000 0.103 0.000 1.438 78 F HN -0.267 nan 8.300 nan 0.000 0.516 79 P HA 0.277 nan 4.420 nan 0.000 0.287 79 P C -0.638 176.949 177.300 0.478 0.000 1.290 79 P CA -0.492 62.885 63.100 0.462 0.000 0.889 79 P CB 1.873 33.744 31.700 0.286 0.000 1.190 80 Q N 0.449 120.458 119.800 0.349 0.000 1.914 80 Q HA -0.233 4.107 4.340 -0.001 0.000 0.222 80 Q C 1.390 177.432 176.000 0.069 0.000 1.031 80 Q CA 2.162 57.915 55.803 -0.083 0.000 0.886 80 Q CB -1.024 27.558 28.738 -0.260 0.000 0.982 80 Q HN 0.518 nan 8.270 nan 0.000 0.417 81 D N 0.490 120.944 120.400 0.090 0.000 2.158 81 D HA -0.174 4.466 4.640 -0.001 0.000 0.197 81 D C 1.782 178.168 176.300 0.143 0.000 0.995 81 D CA 0.934 55.019 54.000 0.142 0.000 0.846 81 D CB -0.325 40.582 40.800 0.180 0.000 0.941 81 D HN 0.342 nan 8.370 nan 0.000 0.456 82 E N -0.121 120.174 120.200 0.160 0.000 2.160 82 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 82 E C 1.668 178.326 176.600 0.096 0.000 0.991 82 E CA 0.574 57.056 56.400 0.138 0.000 0.810 82 E CB 0.070 29.892 29.700 0.204 0.000 0.742 82 E HN 0.256 nan 8.360 nan 0.000 0.466 83 C N 0.125 119.516 119.300 0.151 0.000 2.539 83 C HA 0.121 4.580 4.460 -0.001 0.000 0.268 83 C C 2.256 177.309 174.990 0.105 0.000 1.395 83 C CA -0.059 59.038 59.018 0.131 0.000 1.757 83 C CB -0.792 27.106 27.740 0.263 0.000 1.851 83 C HN 0.341 nan 8.230 nan 0.000 0.545 84 R N 0.314 120.878 120.500 0.107 0.000 2.195 84 R HA 0.049 4.388 4.340 -0.001 0.000 0.197 84 R C 1.953 178.317 176.300 0.107 0.000 0.990 84 R CA 0.331 56.497 56.100 0.111 0.000 1.048 84 R CB -0.150 30.228 30.300 0.130 0.000 0.997 84 R HN 0.531 nan 8.270 nan 0.000 0.502 85 E N 2.025 122.282 120.200 0.094 0.000 2.017 85 E HA -0.083 4.267 4.350 -0.001 0.000 0.193 85 E C -0.167 176.470 176.600 0.063 0.000 0.997 85 E CA 1.127 57.575 56.400 0.081 0.000 0.804 85 E CB 0.287 30.021 29.700 0.058 0.000 0.757 85 E HN 0.107 nan 8.360 nan 0.000 0.448 86 K N 1.691 122.108 120.400 0.027 0.000 2.205 86 K HA 0.128 4.447 4.320 -0.001 0.000 0.279 86 K C -0.873 175.724 176.600 -0.006 0.000 1.027 86 K CA -0.546 55.734 56.287 -0.012 0.000 0.932 86 K CB 0.957 33.405 32.500 -0.087 0.000 1.032 86 K HN 0.017 nan 8.250 nan 0.000 0.466 87 D N 3.400 123.799 120.400 -0.002 0.000 2.357 87 D HA 0.062 4.701 4.640 -0.001 0.000 0.265 87 D C -0.277 176.020 176.300 -0.004 0.000 1.334 87 D CA 0.452 54.461 54.000 0.015 0.000 0.984 87 D CB 0.211 41.022 40.800 0.019 0.000 1.077 87 D HN 0.117 nan 8.370 nan 0.000 0.514 88 L N 1.009 122.242 121.223 0.016 0.000 2.327 88 L HA 0.427 4.767 4.340 -0.001 0.000 0.258 88 L C 0.247 177.181 176.870 0.108 0.000 1.024 88 L CA -0.566 54.285 54.840 0.017 0.000 0.825 88 L CB 2.228 44.255 42.059 -0.055 0.000 1.386 88 L HN 0.103 nan 8.230 nan 0.000 0.417 89 T N 0.887 115.522 114.554 0.136 0.000 2.842 89 T HA 0.266 4.615 4.350 -0.001 0.000 0.308 89 T C -0.704 174.161 174.700 0.275 0.000 1.041 89 T CA -0.273 61.946 62.100 0.199 0.000 0.964 89 T CB -0.239 68.719 68.868 0.150 0.000 0.972 89 T HN 0.347 nan 8.240 nan 0.000 0.460 90 Y N 5.677 126.089 120.300 0.187 0.000 2.730 90 Y HA 0.273 4.823 4.550 -0.001 0.000 0.357 90 Y C 0.266 176.299 175.900 0.221 0.000 1.167 90 Y CA 0.264 58.490 58.100 0.210 0.000 1.579 90 Y CB -0.037 38.545 38.460 0.204 0.000 1.262 90 Y HN 0.639 nan 8.280 nan 0.000 0.510 91 Q N 4.198 124.029 119.800 0.052 0.000 2.331 91 Q HA 0.727 5.066 4.340 -0.001 0.000 0.272 91 Q C -1.041 174.939 176.000 -0.032 0.000 1.062 91 Q CA -0.940 54.905 55.803 0.070 0.000 0.806 91 Q CB 1.863 30.697 28.738 0.160 0.000 1.312 91 Q HN 0.641 nan 8.270 nan 0.000 0.431 92 A N 2.542 125.344 122.820 -0.029 0.000 2.304 92 A HA 0.767 5.087 4.320 -0.001 0.000 0.271 92 A C -2.363 175.204 177.584 -0.028 0.000 1.091 92 A CA -1.541 50.464 52.037 -0.053 0.000 0.812 92 A CB 0.044 19.020 19.000 -0.039 0.000 1.056 92 A HN 0.489 nan 8.150 nan 0.000 0.489 93 P HA 0.502 nan 4.420 nan 0.000 0.292 93 P C -1.120 176.276 177.300 0.161 0.000 1.287 93 P CA -0.295 62.813 63.100 0.013 0.000 0.800 93 P CB 1.129 32.881 31.700 0.087 0.000 0.945 94 L N 5.365 126.740 121.223 0.255 0.000 2.362 94 L HA 0.671 5.010 4.340 -0.001 0.000 0.275 94 L C -1.644 175.522 176.870 0.494 0.000 0.998 94 L CA -0.708 54.297 54.840 0.274 0.000 0.820 94 L CB 0.959 43.194 42.059 0.292 0.000 1.270 94 L HN 0.421 nan 8.230 nan 0.000 0.415 95 Y N 3.164 123.591 120.300 0.212 0.000 2.287 95 Y HA 0.855 5.405 4.550 -0.001 0.000 0.325 95 Y C -0.409 175.580 175.900 0.149 0.000 1.139 95 Y CA -0.970 57.239 58.100 0.182 0.000 1.167 95 Y CB 0.216 38.723 38.460 0.078 0.000 1.158 95 Y HN 0.784 nan 8.280 nan 0.000 0.434 96 A N 3.849 126.835 122.820 0.277 0.000 2.252 96 A HA 0.750 5.070 4.320 -0.001 0.000 0.305 96 A C -0.048 177.575 177.584 0.065 0.000 1.097 96 A CA -1.199 50.918 52.037 0.133 0.000 0.849 96 A CB 0.754 19.867 19.000 0.189 0.000 1.142 96 A HN 0.852 nan 8.150 nan 0.000 0.499 97 R N -0.737 119.691 120.500 -0.120 0.000 2.490 97 R HA 0.483 4.823 4.340 -0.001 0.000 0.280 97 R C -1.534 174.710 176.300 -0.093 0.000 1.077 97 R CA -0.233 55.793 56.100 -0.123 0.000 1.065 97 R CB 0.297 30.461 30.300 -0.227 0.000 1.003 97 R HN 0.460 nan 8.270 nan 0.000 0.470 98 L N 1.133 122.371 121.223 0.024 0.000 2.455 98 L HA 0.359 4.698 4.340 -0.001 0.000 0.264 98 L C -0.805 176.117 176.870 0.086 0.000 0.968 98 L CA -0.806 54.123 54.840 0.148 0.000 0.827 98 L CB 1.726 43.991 42.059 0.344 0.000 1.317 98 L HN 0.630 nan 8.230 nan 0.000 0.407 99 Q N 2.255 122.106 119.800 0.085 0.000 2.274 99 Q HA 0.737 5.077 4.340 -0.001 0.000 0.268 99 Q C -1.631 174.420 176.000 0.085 0.000 1.015 99 Q CA -0.871 54.969 55.803 0.062 0.000 0.775 99 Q CB 2.765 31.509 28.738 0.011 0.000 1.256 99 Q HN 0.571 nan 8.270 nan 0.000 0.442 100 L N 4.314 125.583 121.223 0.076 0.000 2.289 100 L HA 0.492 4.832 4.340 -0.001 0.000 0.285 100 L C -1.012 175.850 176.870 -0.013 0.000 1.049 100 L CA -0.623 54.231 54.840 0.023 0.000 0.804 100 L CB 0.938 42.994 42.059 -0.005 0.000 1.195 100 L HN 0.731 nan 8.230 nan 0.000 0.428 101 I N 4.137 124.666 120.570 -0.068 0.000 2.797 101 I HA 0.376 4.546 4.170 -0.001 0.000 0.310 101 I C 0.274 176.234 176.117 -0.261 0.000 0.990 101 I CA -0.405 60.871 61.300 -0.041 0.000 1.228 101 I CB 0.947 38.947 38.000 -0.001 0.000 1.406 101 I HN 0.596 nan 8.210 nan 0.000 0.534 102 H N 2.013 121.095 119.070 0.020 0.000 2.821 102 H HA 0.298 4.854 4.556 -0.000 0.000 0.373 102 H C 0.011 175.348 175.328 0.014 0.000 1.165 102 H CA -0.656 55.402 56.048 0.016 0.000 1.154 102 H CB 2.629 32.399 29.762 0.013 0.000 1.765 102 H HN 0.429 nan 8.280 nan 0.000 0.549 103 K N 0.473 120.944 120.400 0.118 0.000 2.432 103 K HA -0.039 4.281 4.320 -0.001 0.000 0.196 103 K C -0.349 176.296 176.600 0.074 0.000 1.038 103 K CA 0.599 56.930 56.287 0.074 0.000 0.986 103 K CB 0.220 32.750 32.500 0.050 0.000 0.782 103 K HN 0.555 nan 8.250 nan 0.000 0.485 104 D N -1.304 119.157 120.400 0.102 0.000 2.326 104 D HA -0.021 4.619 4.640 -0.001 0.000 0.248 104 D C -0.352 175.976 176.300 0.045 0.000 1.001 104 D CA -0.669 53.364 54.000 0.056 0.000 0.961 104 D CB 1.030 41.850 40.800 0.033 0.000 1.183 104 D HN -0.233 nan 8.370 nan 0.000 0.502 105 T N -0.286 114.275 114.554 0.012 0.000 2.734 105 T HA 0.429 4.779 4.350 -0.001 0.000 0.269 105 T C 0.206 174.887 174.700 -0.031 0.000 0.964 105 T CA 0.516 62.616 62.100 0.001 0.000 1.226 105 T CB -1.472 67.391 68.868 -0.007 0.000 0.910 105 T HN 0.894 nan 8.240 nan 0.000 0.534 106 G N 4.296 113.090 108.800 -0.010 0.000 2.238 106 G HA2 0.390 4.350 3.960 -0.001 0.000 0.276 106 G HA3 0.390 4.350 3.960 -0.001 0.000 0.276 106 G C -1.498 173.443 174.900 0.069 0.000 1.744 106 G CA -1.011 44.056 45.100 -0.056 0.000 0.912 106 G HN 0.872 nan 8.290 nan 0.000 0.744 107 L N 2.986 124.264 121.223 0.092 0.000 2.529 107 L HA 0.497 4.837 4.340 -0.001 0.000 0.260 107 L C -0.083 176.855 176.870 0.113 0.000 0.997 107 L CA -0.698 54.247 54.840 0.176 0.000 0.885 107 L CB 1.658 43.776 42.059 0.099 0.000 1.185 107 L HN 0.409 nan 8.230 nan 0.000 0.442 108 I N 2.848 123.512 120.570 0.156 0.000 2.342 108 I HA 0.217 4.387 4.170 -0.001 0.000 0.291 108 I C 0.206 176.368 176.117 0.074 0.000 1.010 108 I CA -0.289 61.065 61.300 0.089 0.000 1.308 108 I CB 1.652 39.708 38.000 0.092 0.000 1.400 108 I HN 0.494 nan 8.210 nan 0.000 0.488 109 K N 6.332 126.755 120.400 0.038 0.000 2.404 109 K HA 0.171 4.491 4.320 -0.001 0.000 0.257 109 K C -0.329 176.280 176.600 0.015 0.000 1.026 109 K CA -0.344 55.958 56.287 0.024 0.000 0.951 109 K CB 0.651 33.151 32.500 -0.000 0.000 1.203 109 K HN 0.285 nan 8.250 nan 0.000 0.446 110 E N 4.503 124.718 120.200 0.026 0.000 1.936 110 E HA 0.038 4.387 4.350 -0.001 0.000 0.267 110 E C -0.274 176.331 176.600 0.009 0.000 1.076 110 E CA -0.023 56.384 56.400 0.011 0.000 0.870 110 E CB 0.419 30.128 29.700 0.015 0.000 1.093 110 E HN 0.682 nan 8.360 nan 0.000 0.411 111 D N 2.354 122.750 120.400 -0.008 0.000 2.269 111 D HA -0.205 4.434 4.640 -0.001 0.000 0.191 111 D C 0.102 176.412 176.300 0.016 0.000 1.007 111 D CA 1.616 55.610 54.000 -0.010 0.000 0.855 111 D CB 0.373 41.160 40.800 -0.021 0.000 0.979 111 D HN 0.459 nan 8.370 nan 0.000 0.452 112 E N -0.484 119.710 120.200 -0.011 0.000 2.256 112 E HA 0.528 4.878 4.350 -0.001 0.000 0.267 112 E C -0.724 175.799 176.600 -0.128 0.000 0.892 112 E CA -0.723 55.685 56.400 0.014 0.000 0.775 112 E CB 3.084 32.815 29.700 0.053 0.000 1.207 112 E HN -0.176 nan 8.360 nan 0.000 0.420 113 V N 2.653 122.542 119.914 -0.041 0.000 2.555 113 V HA 0.237 4.357 4.120 -0.001 0.000 0.283 113 V C -0.478 175.681 176.094 0.109 0.000 1.020 113 V CA -0.901 61.361 62.300 -0.064 0.000 0.883 113 V CB 0.144 32.009 31.823 0.070 0.000 1.030 113 V HN 0.577 nan 8.190 nan 0.000 0.448 114 F N 4.811 124.771 119.950 0.017 0.000 2.541 114 F HA 0.660 5.186 4.527 -0.001 0.000 0.347 114 F C -0.034 175.850 175.800 0.140 0.000 1.242 114 F CA -0.948 57.096 58.000 0.074 0.000 1.123 114 F CB -0.272 38.662 39.000 -0.109 0.000 1.354 114 F HN 0.358 nan 8.300 nan 0.000 0.621 115 L N 2.003 123.467 121.223 0.402 0.000 2.298 115 L HA 0.974 5.314 4.340 -0.001 0.000 0.284 115 L C 0.101 177.142 176.870 0.285 0.000 1.013 115 L CA -0.866 54.148 54.840 0.290 0.000 0.824 115 L CB 1.033 43.217 42.059 0.209 0.000 1.221 115 L HN 0.850 nan 8.230 nan 0.000 0.418 116 G N 1.398 110.371 108.800 0.288 0.000 3.153 116 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.686 116 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.686 116 G C -0.984 174.162 174.900 0.411 0.000 0.995 116 G CA -0.769 44.499 45.100 0.280 0.000 0.783 116 G HN 0.925 nan 8.290 nan 0.000 0.551 117 H N 1.008 120.117 119.070 0.066 0.000 2.661 117 H HA 0.515 5.071 4.556 -0.001 0.000 0.290 117 H C 1.117 176.466 175.328 0.034 0.000 1.082 117 H CA -0.351 55.736 56.048 0.064 0.000 1.234 117 H CB 0.572 30.357 29.762 0.039 0.000 1.387 117 H HN 0.853 nan 8.280 nan 0.000 0.476 118 I N 0.583 121.239 120.570 0.143 0.000 2.385 118 I HA 0.567 4.737 4.170 -0.001 0.000 0.294 118 I C -2.689 173.493 176.117 0.109 0.000 0.988 118 I CA -2.513 58.828 61.300 0.068 0.000 1.265 118 I CB 1.831 39.888 38.000 0.094 0.000 1.388 118 I HN 0.176 nan 8.210 nan 0.000 0.480 119 P HA 0.224 nan 4.420 nan 0.000 0.269 119 P C -0.899 176.711 177.300 0.516 0.000 1.217 119 P CA 0.002 63.292 63.100 0.316 0.000 0.783 119 P CB 0.594 32.506 31.700 0.353 0.000 0.898 120 L N 0.918 122.495 121.223 0.589 0.000 2.303 120 L HA 0.606 4.946 4.340 -0.001 0.000 0.266 120 L C 0.205 177.476 176.870 0.668 0.000 1.011 120 L CA -1.014 54.167 54.840 0.568 0.000 0.818 120 L CB 1.531 43.838 42.059 0.413 0.000 1.326 120 L HN 0.313 nan 8.230 nan 0.000 0.435 121 M N 0.308 120.195 119.600 0.478 0.000 2.363 121 M HA 0.372 4.852 4.480 -0.001 0.000 0.343 121 M C -0.327 176.033 176.300 0.101 0.000 1.165 121 M CA -0.048 55.381 55.300 0.215 0.000 1.046 121 M CB 1.623 34.361 32.600 0.231 0.000 1.648 121 M HN 0.547 nan 8.290 nan 0.000 0.452 122 T N 2.662 117.197 114.554 -0.032 0.000 2.828 122 T HA 0.111 4.460 4.350 -0.001 0.000 0.290 122 T C 1.077 175.739 174.700 -0.062 0.000 1.019 122 T CA -0.518 61.543 62.100 -0.065 0.000 1.031 122 T CB 0.598 69.392 68.868 -0.123 0.000 1.001 122 T HN 0.758 nan 8.240 nan 0.000 0.531 123 E N 1.094 121.259 120.200 -0.058 0.000 2.209 123 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 123 E C 0.715 177.270 176.600 -0.075 0.000 0.993 123 E CA 1.515 57.882 56.400 -0.055 0.000 0.819 123 E CB -0.272 29.395 29.700 -0.056 0.000 0.745 123 E HN 0.640 nan 8.360 nan 0.000 0.477 124 D N -0.078 120.266 120.400 -0.093 0.000 2.162 124 D HA 0.059 4.699 4.640 -0.001 0.000 0.205 124 D C 1.467 177.701 176.300 -0.111 0.000 0.964 124 D CA 1.411 55.351 54.000 -0.099 0.000 0.847 124 D CB 0.168 40.907 40.800 -0.103 0.000 0.988 124 D HN 0.363 nan 8.370 nan 0.000 0.480 125 G N -0.540 108.174 108.800 -0.143 0.000 2.870 125 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.216 125 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.216 125 G C 0.238 174.949 174.900 -0.315 0.000 0.973 125 G CA 0.187 45.174 45.100 -0.190 0.000 0.807 125 G HN 0.479 nan 8.290 nan 0.000 0.573 126 S N -0.121 115.408 115.700 -0.284 0.000 2.718 126 S HA 0.910 5.380 4.470 -0.001 0.000 0.300 126 S C -0.173 174.215 174.600 -0.352 0.000 1.117 126 S CA -0.808 57.204 58.200 -0.314 0.000 1.002 126 S CB 1.855 64.982 63.200 -0.122 0.000 1.092 126 S HN 0.340 nan 8.310 nan 0.000 0.542 127 F N -0.535 119.419 119.950 0.007 0.000 2.611 127 F HA 0.673 5.200 4.527 -0.001 0.000 0.374 127 F C 0.100 175.932 175.800 0.053 0.000 1.110 127 F CA -1.469 56.578 58.000 0.077 0.000 1.090 127 F CB 0.778 39.863 39.000 0.142 0.000 1.388 127 F HN 0.416 nan 8.300 nan 0.000 0.501 128 I N 1.385 122.187 120.570 0.387 0.000 2.542 128 I HA 0.169 4.338 4.170 -0.001 0.000 0.278 128 I C -0.395 175.895 176.117 0.289 0.000 1.069 128 I CA -0.142 61.306 61.300 0.247 0.000 1.100 128 I CB 1.221 39.308 38.000 0.146 0.000 1.204 128 I HN 0.504 nan 8.210 nan 0.000 0.470 129 I N 4.049 124.759 120.570 0.234 0.000 2.315 129 I HA 0.024 4.194 4.170 -0.001 0.000 0.233 129 I C 0.604 176.825 176.117 0.173 0.000 1.067 129 I CA 1.133 62.558 61.300 0.209 0.000 1.376 129 I CB -0.078 38.018 38.000 0.160 0.000 1.143 129 I HN 0.448 nan 8.210 nan 0.000 0.421 130 N N -0.442 118.346 118.700 0.147 0.000 2.609 130 N HA 0.408 5.147 4.740 -0.001 0.000 0.268 130 N C 0.360 175.943 175.510 0.122 0.000 1.106 130 N CA 0.423 53.545 53.050 0.121 0.000 0.823 130 N CB 1.619 40.162 38.487 0.095 0.000 1.263 130 N HN 0.419 nan 8.380 nan 0.000 0.533 131 G N 1.632 110.502 108.800 0.117 0.000 2.562 131 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.241 131 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.241 131 G C 0.213 175.188 174.900 0.126 0.000 1.120 131 G CA 0.527 45.696 45.100 0.115 0.000 0.673 131 G HN 0.777 nan 8.290 nan 0.000 0.519 132 A N 0.402 123.311 122.820 0.149 0.000 2.350 132 A HA 0.635 4.954 4.320 -0.001 0.000 0.324 132 A C -0.486 177.146 177.584 0.080 0.000 1.118 132 A CA -0.114 51.994 52.037 0.118 0.000 0.783 132 A CB 0.936 20.122 19.000 0.311 0.000 1.236 132 A HN 0.242 nan 8.150 nan 0.000 0.457 133 D N 1.498 121.884 120.400 -0.023 0.000 2.425 133 D HA 0.347 4.986 4.640 -0.001 0.000 0.247 133 D C 0.211 176.534 176.300 0.040 0.000 1.147 133 D CA 0.655 54.660 54.000 0.008 0.000 0.879 133 D CB 0.718 41.480 40.800 -0.062 0.000 1.179 133 D HN 0.461 nan 8.370 nan 0.000 0.456 134 R N 0.227 120.826 120.500 0.166 0.000 2.919 134 R HA 0.710 5.049 4.340 -0.001 0.000 0.260 134 R C -0.864 175.614 176.300 0.297 0.000 1.067 134 R CA -1.179 55.028 56.100 0.178 0.000 1.003 134 R CB 2.109 32.468 30.300 0.098 0.000 1.192 134 R HN 0.344 nan 8.270 nan 0.000 0.488 135 V N -0.655 119.357 119.914 0.163 0.000 2.638 135 V HA 0.542 4.662 4.120 -0.001 0.000 0.306 135 V C -0.694 175.433 176.094 0.056 0.000 1.052 135 V CA -0.885 61.490 62.300 0.126 0.000 0.885 135 V CB 1.977 33.761 31.823 -0.065 0.000 0.999 135 V HN 0.521 nan 8.190 nan 0.000 0.424 136 I N 6.238 126.912 120.570 0.173 0.000 2.287 136 I HA 0.315 4.485 4.170 -0.001 0.000 0.290 136 I C 0.405 176.473 176.117 -0.081 0.000 1.069 136 I CA -0.220 61.057 61.300 -0.038 0.000 1.237 136 I CB 1.401 39.382 38.000 -0.031 0.000 1.418 136 I HN 0.799 nan 8.210 nan 0.000 0.481 137 V N 3.957 123.795 119.914 -0.128 0.000 2.583 137 V HA 0.424 4.543 4.120 -0.001 0.000 0.287 137 V C 0.769 176.806 176.094 -0.096 0.000 1.051 137 V CA -0.374 61.850 62.300 -0.126 0.000 1.010 137 V CB 1.318 33.050 31.823 -0.152 0.000 0.988 137 V HN 0.726 nan 8.190 nan 0.000 0.478 138 S N 2.825 118.474 115.700 -0.085 0.000 2.617 138 S HA 0.393 4.863 4.470 -0.001 0.000 0.255 138 S C -0.108 174.446 174.600 -0.077 0.000 1.318 138 S CA 0.347 58.501 58.200 -0.077 0.000 0.978 138 S CB 0.613 63.766 63.200 -0.079 0.000 0.961 138 S HN 1.257 nan 8.310 nan 0.000 0.582 139 Q N -0.431 119.317 119.800 -0.086 0.000 2.590 139 Q HA 0.656 4.996 4.340 -0.001 0.000 0.295 139 Q C -1.573 174.341 176.000 -0.143 0.000 0.973 139 Q CA -0.941 54.813 55.803 -0.082 0.000 0.768 139 Q CB 0.999 29.710 28.738 -0.045 0.000 1.479 139 Q HN 0.631 nan 8.270 nan 0.000 0.419 140 I N -1.756 118.746 120.570 -0.114 0.000 3.002 140 I HA 0.778 4.948 4.170 -0.001 0.000 0.310 140 I C -0.616 175.462 176.117 -0.065 0.000 1.087 140 I CA -0.416 60.788 61.300 -0.161 0.000 1.017 140 I CB 2.184 40.159 38.000 -0.042 0.000 1.226 140 I HN 0.916 nan 8.210 nan 0.000 0.443 141 H N -0.316 118.788 119.070 0.057 0.000 2.894 141 H HA 0.477 5.032 4.556 -0.001 0.000 0.282 141 H C -1.247 174.137 175.328 0.093 0.000 1.448 141 H CA -1.344 54.751 56.048 0.077 0.000 1.158 141 H CB 0.718 30.526 29.762 0.077 0.000 1.818 141 H HN 0.549 nan 8.280 nan 0.000 0.493 142 R N 1.621 122.336 120.500 0.358 0.000 2.442 142 R HA 0.206 4.546 4.340 -0.001 0.000 0.291 142 R C 0.346 176.831 176.300 0.308 0.000 1.069 142 R CA 0.116 56.383 56.100 0.277 0.000 1.022 142 R CB 0.823 31.260 30.300 0.229 0.000 0.976 142 R HN 0.702 nan 8.270 nan 0.000 0.443 143 S N 2.729 118.629 115.700 0.333 0.000 2.641 143 S HA 0.441 4.910 4.470 -0.001 0.000 0.261 143 S C -2.334 172.445 174.600 0.298 0.000 1.257 143 S CA -1.345 57.045 58.200 0.317 0.000 0.983 143 S CB 0.652 64.089 63.200 0.395 0.000 0.990 143 S HN 0.311 nan 8.310 nan 0.000 0.572 144 P HA 0.550 nan 4.420 nan 0.000 0.291 144 P C 0.003 177.451 177.300 0.247 0.000 1.340 144 P CA -0.001 63.230 63.100 0.218 0.000 0.799 144 P CB 0.880 32.703 31.700 0.206 0.000 0.917 145 G N 1.395 110.239 108.800 0.074 0.000 2.677 145 G HA2 0.528 4.488 3.960 -0.001 0.000 0.283 145 G HA3 0.528 4.488 3.960 -0.001 0.000 0.283 145 G C -1.773 172.772 174.900 -0.592 0.000 1.221 145 G CA -0.468 44.571 45.100 -0.102 0.000 0.851 145 G HN 0.235 nan 8.290 nan 0.000 0.504 146 V N 0.706 120.189 119.914 -0.718 0.000 2.623 146 V HA 0.697 4.817 4.120 -0.001 0.000 0.304 146 V C -1.342 174.174 176.094 -0.964 0.000 1.054 146 V CA -0.659 61.173 62.300 -0.780 0.000 0.882 146 V CB 0.794 32.487 31.823 -0.216 0.000 1.002 146 V HN 0.730 nan 8.190 nan 0.000 0.424 147 Y N 2.991 122.929 120.300 -0.603 0.000 2.638 147 Y HA 0.850 5.399 4.550 -0.001 0.000 0.339 147 Y C -0.862 174.292 175.900 -1.244 0.000 1.084 147 Y CA -1.570 55.653 58.100 -1.462 0.000 1.068 147 Y CB 1.748 39.795 38.460 -0.689 0.000 1.294 147 Y HN 0.508 nan 8.280 nan 0.000 0.480 148 F N -0.141 119.963 119.950 0.256 0.000 2.513 148 F HA 0.597 5.124 4.527 -0.001 0.000 0.358 148 F C -0.187 175.679 175.800 0.110 0.000 1.118 148 F CA -0.951 57.147 58.000 0.162 0.000 1.037 148 F CB 1.275 40.362 39.000 0.145 0.000 1.276 148 F HN 0.407 nan 8.300 nan 0.000 0.446 149 T N 2.508 117.167 114.554 0.175 0.000 2.918 149 T HA 0.597 4.947 4.350 -0.001 0.000 0.286 149 T C -2.785 172.075 174.700 0.267 0.000 1.026 149 T CA -2.514 59.684 62.100 0.163 0.000 1.031 149 T CB 1.444 70.381 68.868 0.116 0.000 1.046 149 T HN 0.203 nan 8.240 nan 0.000 0.479 150 P HA 0.090 nan 4.420 nan 0.000 0.267 150 P C -0.378 177.047 177.300 0.209 0.000 1.200 150 P CA -0.155 63.220 63.100 0.459 0.000 0.772 150 P CB 0.339 32.271 31.700 0.387 0.000 0.855 151 D N 3.139 123.608 120.400 0.115 0.000 2.443 151 D HA -0.013 4.626 4.640 -0.001 0.000 0.239 151 D C -1.211 175.112 176.300 0.039 0.000 1.136 151 D CA -0.928 53.105 54.000 0.055 0.000 0.879 151 D CB 0.482 41.278 40.800 -0.007 0.000 1.195 151 D HN 0.210 nan 8.370 nan 0.000 0.443 152 P HA -0.174 nan 4.420 nan 0.000 0.201 152 P C 0.600 177.910 177.300 0.016 0.000 1.046 152 P CA 1.659 64.775 63.100 0.028 0.000 0.942 152 P CB 0.194 31.907 31.700 0.022 0.000 0.733 153 A N -0.558 122.266 122.820 0.007 0.000 1.862 153 A HA -0.006 4.313 4.320 -0.001 0.000 0.211 153 A C 0.900 178.478 177.584 -0.010 0.000 1.220 153 A CA 0.229 52.266 52.037 0.001 0.000 0.616 153 A CB -1.116 17.885 19.000 0.001 0.000 0.878 153 A HN 0.293 nan 8.150 nan 0.000 0.453 154 R N 0.639 121.129 120.500 -0.017 0.000 2.504 154 R HA 0.132 4.472 4.340 -0.001 0.000 0.291 154 R C -2.283 173.986 176.300 -0.052 0.000 0.974 154 R CA -0.295 55.785 56.100 -0.032 0.000 1.077 154 R CB -0.388 29.891 30.300 -0.035 0.000 0.926 154 R HN 0.110 nan 8.270 nan 0.000 0.407 155 P HA -0.044 nan 4.420 nan 0.000 0.226 155 P C 1.151 178.371 177.300 -0.134 0.000 1.153 155 P CA 1.157 64.211 63.100 -0.077 0.000 0.777 155 P CB 0.144 31.811 31.700 -0.055 0.000 0.794 156 G N 0.684 109.409 108.800 -0.125 0.000 2.833 156 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.186 156 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.186 156 G C 0.461 175.199 174.900 -0.269 0.000 1.437 156 G CA 0.375 45.383 45.100 -0.154 0.000 0.813 156 G HN 0.314 nan 8.290 nan 0.000 0.663 157 R N -1.236 119.120 120.500 -0.241 0.000 2.778 157 R HA 0.520 4.859 4.340 -0.001 0.000 0.277 157 R C -0.977 175.195 176.300 -0.213 0.000 0.977 157 R CA -0.850 55.070 56.100 -0.299 0.000 0.950 157 R CB 0.992 31.218 30.300 -0.124 0.000 1.165 157 R HN 0.420 nan 8.270 nan 0.000 0.474 158 Y N 2.817 123.143 120.300 0.044 0.000 2.326 158 Y HA 0.375 4.924 4.550 -0.000 0.000 0.324 158 Y C 0.657 176.614 175.900 0.094 0.000 1.291 158 Y CA -0.997 57.148 58.100 0.075 0.000 1.348 158 Y CB 0.398 38.921 38.460 0.105 0.000 1.294 158 Y HN 0.452 nan 8.280 nan 0.000 0.525 159 I N -0.641 120.097 120.570 0.281 0.000 2.740 159 I HA 0.970 5.140 4.170 -0.001 0.000 0.303 159 I C -0.602 175.651 176.117 0.228 0.000 1.044 159 I CA -1.438 59.986 61.300 0.208 0.000 1.064 159 I CB 2.064 40.145 38.000 0.136 0.000 1.249 159 I HN 0.652 nan 8.210 nan 0.000 0.433 160 A N 3.102 126.046 122.820 0.207 0.000 2.279 160 A HA 0.759 5.078 4.320 -0.001 0.000 0.303 160 A C -0.192 177.471 177.584 0.133 0.000 1.108 160 A CA -0.497 51.668 52.037 0.214 0.000 0.830 160 A CB 1.141 20.270 19.000 0.215 0.000 1.106 160 A HN 0.721 nan 8.150 nan 0.000 0.493 161 S N 0.325 116.071 115.700 0.076 0.000 2.736 161 S HA 0.510 4.980 4.470 -0.001 0.000 0.285 161 S C -0.999 173.575 174.600 -0.043 0.000 1.163 161 S CA -0.416 57.829 58.200 0.075 0.000 1.025 161 S CB 0.283 63.559 63.200 0.128 0.000 1.030 161 S HN 0.505 nan 8.310 nan 0.000 0.486 162 I N 5.340 125.925 120.570 0.025 0.000 2.312 162 I HA 0.429 4.599 4.170 -0.001 0.000 0.290 162 I C -0.202 175.830 176.117 -0.141 0.000 1.008 162 I CA -0.729 60.528 61.300 -0.072 0.000 1.226 162 I CB 0.974 38.996 38.000 0.037 0.000 1.371 162 I HN 0.561 nan 8.210 nan 0.000 0.468 163 I N 6.908 127.309 120.570 -0.282 0.000 2.359 163 I HA 0.609 4.779 4.170 -0.001 0.000 0.284 163 I C -2.842 173.008 176.117 -0.445 0.000 1.018 163 I CA -1.931 59.095 61.300 -0.456 0.000 1.173 163 I CB 1.229 39.159 38.000 -0.116 0.000 1.326 163 I HN 0.217 nan 8.210 nan 0.000 0.462 164 P HA 0.480 nan 4.420 nan 0.000 0.301 164 P C -1.266 175.740 177.300 -0.492 0.000 1.399 164 P CA -0.445 62.411 63.100 -0.407 0.000 0.950 164 P CB 1.624 33.150 31.700 -0.291 0.000 0.972 165 L N 6.532 127.524 121.223 -0.386 0.000 2.331 165 L HA 0.684 5.024 4.340 -0.001 0.000 0.275 165 L C -2.409 174.293 176.870 -0.281 0.000 1.022 165 L CA -2.561 52.078 54.840 -0.334 0.000 0.812 165 L CB 1.034 42.922 42.059 -0.285 0.000 1.257 165 L HN 0.223 nan 8.230 nan 0.000 0.435 166 P HA -0.101 nan 4.420 nan 0.000 0.272 166 P C 0.023 177.245 177.300 -0.130 0.000 1.210 166 P CA 0.269 63.290 63.100 -0.132 0.000 0.789 166 P CB 0.411 32.056 31.700 -0.092 0.000 0.849 167 K N 1.936 122.303 120.400 -0.053 0.000 1.987 167 K HA -0.180 4.140 4.320 -0.001 0.000 0.216 167 K C 0.431 177.037 176.600 0.010 0.000 1.051 167 K CA 1.363 57.659 56.287 0.016 0.000 0.942 167 K CB -0.104 32.434 32.500 0.064 0.000 0.722 167 K HN 0.274 nan 8.250 nan 0.000 0.444 168 R N 0.967 121.472 120.500 0.009 0.000 2.458 168 R HA 0.102 4.441 4.340 -0.001 0.000 0.303 168 R C -0.188 176.104 176.300 -0.013 0.000 1.013 168 R CA 1.040 57.150 56.100 0.017 0.000 1.026 168 R CB 0.123 30.442 30.300 0.032 0.000 0.948 168 R HN 0.660 nan 8.270 nan 0.000 0.417 169 G N 4.866 113.637 108.800 -0.049 0.000 2.693 169 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.290 169 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.290 169 G C -2.806 171.941 174.900 -0.255 0.000 1.378 169 G CA -1.219 43.793 45.100 -0.148 0.000 1.120 169 G HN 0.293 nan 8.290 nan 0.000 0.609 170 P HA 0.005 nan 4.420 nan 0.000 0.274 170 P C -0.283 176.955 177.300 -0.104 0.000 1.209 170 P CA 0.282 63.222 63.100 -0.266 0.000 0.790 170 P CB 0.447 31.870 31.700 -0.462 0.000 0.834 171 W N 3.086 124.330 121.300 -0.094 0.000 2.563 171 W HA 0.330 4.989 4.660 -0.001 0.000 0.301 171 W C -1.280 175.236 176.519 -0.004 0.000 1.006 171 W CA -0.433 56.888 57.345 -0.040 0.000 1.382 171 W CB 0.383 29.827 29.460 -0.026 0.000 1.262 171 W HN 0.158 nan 8.180 nan 0.000 0.403 172 I N 4.246 124.965 120.570 0.248 0.000 2.581 172 I HA 0.240 4.410 4.170 -0.001 0.000 0.288 172 I C 0.384 176.626 176.117 0.208 0.000 1.047 172 I CA 0.425 61.853 61.300 0.213 0.000 1.374 172 I CB 0.790 38.926 38.000 0.226 0.000 1.423 172 I HN 0.123 nan 8.210 nan 0.000 0.549 173 D N 5.854 126.347 120.400 0.154 0.000 2.964 173 D HA 0.457 5.096 4.640 -0.001 0.000 0.234 173 D C -1.205 175.143 176.300 0.080 0.000 1.223 173 D CA -0.341 53.728 54.000 0.115 0.000 0.889 173 D CB 2.454 43.308 40.800 0.089 0.000 1.609 173 D HN 0.135 nan 8.370 nan 0.000 0.523 174 L N 1.869 123.138 121.223 0.078 0.000 2.318 174 L HA 0.345 4.685 4.340 -0.001 0.000 0.277 174 L C -0.032 176.888 176.870 0.083 0.000 1.008 174 L CA -0.330 54.542 54.840 0.054 0.000 0.846 174 L CB 1.589 43.657 42.059 0.015 0.000 1.220 174 L HN 0.363 nan 8.230 nan 0.000 0.423 175 E N 3.140 123.376 120.200 0.060 0.000 2.234 175 E HA 0.656 5.005 4.350 -0.001 0.000 0.266 175 E C -1.332 175.292 176.600 0.041 0.000 0.877 175 E CA -0.943 55.493 56.400 0.060 0.000 0.758 175 E CB 2.297 32.025 29.700 0.046 0.000 1.170 175 E HN 0.332 nan 8.360 nan 0.000 0.415 176 V N 1.743 121.676 119.914 0.033 0.000 2.347 176 V HA 0.543 4.663 4.120 -0.001 0.000 0.280 176 V C -0.247 175.839 176.094 -0.013 0.000 1.021 176 V CA -0.645 61.658 62.300 0.005 0.000 0.847 176 V CB 1.452 33.257 31.823 -0.030 0.000 0.990 176 V HN 0.729 nan 8.190 nan 0.000 0.444 177 E N 5.176 125.371 120.200 -0.008 0.000 3.406 177 E HA 0.356 4.705 4.350 -0.001 0.000 0.210 177 E C -1.954 174.639 176.600 -0.013 0.000 1.167 177 E CA -1.961 54.432 56.400 -0.012 0.000 1.132 177 E CB 1.578 31.276 29.700 -0.004 0.000 1.309 177 E HN 0.605 nan 8.360 nan 0.000 0.424 178 P HA -0.253 nan 4.420 nan 0.000 0.221 178 P C 1.142 178.434 177.300 -0.014 0.000 1.149 178 P CA 0.959 64.043 63.100 -0.026 0.000 0.824 178 P CB 0.225 31.898 31.700 -0.044 0.000 0.763 179 N N -1.184 117.511 118.700 -0.008 0.000 2.443 179 N HA -0.102 4.637 4.740 -0.001 0.000 0.184 179 N C 1.224 176.738 175.510 0.006 0.000 1.037 179 N CA 1.658 54.707 53.050 -0.002 0.000 0.896 179 N CB -0.104 38.383 38.487 -0.001 0.000 0.959 179 N HN 0.250 nan 8.380 nan 0.000 0.442 180 G N -1.058 107.748 108.800 0.010 0.000 4.511 180 G HA2 0.116 4.076 3.960 -0.001 0.000 0.220 180 G HA3 0.116 4.076 3.960 -0.001 0.000 0.220 180 G C -0.719 174.198 174.900 0.028 0.000 0.733 180 G CA -0.042 45.071 45.100 0.021 0.000 0.897 180 G HN 0.128 nan 8.290 nan 0.000 0.691 181 V N 0.150 120.076 119.914 0.020 0.000 3.114 181 V HA 0.836 4.956 4.120 -0.001 0.000 0.308 181 V C -0.440 175.663 176.094 0.015 0.000 1.168 181 V CA -0.957 61.357 62.300 0.022 0.000 1.015 181 V CB 2.117 33.953 31.823 0.021 0.000 1.050 181 V HN 0.184 nan 8.190 nan 0.000 0.433 182 V N 0.884 120.807 119.914 0.016 0.000 2.914 182 V HA 0.849 4.969 4.120 -0.001 0.000 0.314 182 V C -0.282 175.806 176.094 -0.009 0.000 1.084 182 V CA -0.543 61.764 62.300 0.012 0.000 0.963 182 V CB 2.052 33.893 31.823 0.030 0.000 1.025 182 V HN 1.001 nan 8.190 nan 0.000 0.432 183 S N 4.164 119.855 115.700 -0.015 0.000 2.733 183 S HA 0.669 5.138 4.470 -0.001 0.000 0.294 183 S C -0.991 173.562 174.600 -0.077 0.000 1.149 183 S CA -0.555 57.619 58.200 -0.044 0.000 1.034 183 S CB 1.148 64.344 63.200 -0.007 0.000 1.015 183 S HN 0.783 nan 8.310 nan 0.000 0.486 184 M N 5.455 124.925 119.600 -0.216 0.000 2.085 184 M HA 0.439 4.919 4.480 -0.001 0.000 0.309 184 M C -1.505 174.600 176.300 -0.326 0.000 0.947 184 M CA -0.337 54.798 55.300 -0.275 0.000 0.918 184 M CB 1.140 33.501 32.600 -0.397 0.000 1.504 184 M HN 0.684 nan 8.290 nan 0.000 0.420 185 K N 4.573 124.953 120.400 -0.033 0.000 2.293 185 K HA 0.369 4.688 4.320 -0.001 0.000 0.267 185 K C 0.746 177.461 176.600 0.191 0.000 1.010 185 K CA -0.579 55.778 56.287 0.117 0.000 0.875 185 K CB 1.977 34.532 32.500 0.091 0.000 1.106 185 K HN 0.575 nan 8.250 nan 0.000 0.450 186 V N 0.399 120.500 119.914 0.312 0.000 2.300 186 V HA -0.164 3.956 4.120 -0.001 0.000 0.233 186 V C 1.767 177.941 176.094 0.134 0.000 1.052 186 V CA 1.377 63.800 62.300 0.205 0.000 1.026 186 V CB -0.643 31.290 31.823 0.184 0.000 0.661 186 V HN 0.940 nan 8.190 nan 0.000 0.470 187 N N -0.618 118.145 118.700 0.106 0.000 2.336 187 N HA -0.019 4.721 4.740 -0.001 0.000 0.177 187 N C 1.572 177.124 175.510 0.070 0.000 1.018 187 N CA 1.429 54.523 53.050 0.074 0.000 0.878 187 N CB 0.660 39.174 38.487 0.046 0.000 0.997 187 N HN 0.592 nan 8.380 nan 0.000 0.433 188 K N -0.984 119.469 120.400 0.088 0.000 3.061 188 K HA 0.102 4.422 4.320 -0.001 0.000 0.274 188 K C -0.631 176.029 176.600 0.099 0.000 2.613 188 K CA -0.585 55.744 56.287 0.071 0.000 1.510 188 K CB 0.276 32.802 32.500 0.043 0.000 2.856 188 K HN -0.142 nan 8.250 nan 0.000 0.406 189 R N 3.536 124.097 120.500 0.102 0.000 2.522 189 R HA 0.059 4.399 4.340 -0.001 0.000 0.284 189 R C -1.125 175.310 176.300 0.226 0.000 1.032 189 R CA 0.637 56.809 56.100 0.120 0.000 1.049 189 R CB 0.141 30.493 30.300 0.087 0.000 0.956 189 R HN 0.036 nan 8.270 nan 0.000 0.422 190 K N 4.814 125.318 120.400 0.173 0.000 2.326 190 K HA 0.257 4.576 4.320 -0.001 0.000 0.275 190 K C -0.206 176.549 176.600 0.258 0.000 1.018 190 K CA 0.042 56.424 56.287 0.157 0.000 0.962 190 K CB 0.336 32.862 32.500 0.043 0.000 0.953 190 K HN 0.530 nan 8.250 nan 0.000 0.475 191 F N -0.300 119.646 119.950 -0.007 0.000 3.231 191 F HA 0.739 5.265 4.527 -0.000 0.000 0.338 191 F C -2.878 172.910 175.800 -0.020 0.000 1.331 191 F CA -2.964 55.006 58.000 -0.049 0.000 1.035 191 F CB -0.067 38.891 39.000 -0.070 0.000 1.578 191 F HN 0.253 nan 8.300 nan 0.000 0.500 192 P HA 0.398 nan 4.420 nan 0.000 0.286 192 P C -0.125 177.019 177.300 -0.260 0.000 1.292 192 P CA -0.388 62.631 63.100 -0.136 0.000 0.842 192 P CB 1.203 32.904 31.700 0.001 0.000 1.207 193 L N 0.017 121.196 121.223 -0.073 0.000 2.446 193 L HA -0.011 4.329 4.340 -0.001 0.000 0.219 193 L C 1.671 178.696 176.870 0.258 0.000 1.116 193 L CA 1.164 56.058 54.840 0.090 0.000 0.844 193 L CB -1.268 40.804 42.059 0.022 0.000 0.970 193 L HN 0.139 nan 8.230 nan 0.000 0.457 194 V N -2.436 117.573 119.914 0.158 0.000 2.825 194 V HA -0.002 4.117 4.120 -0.001 0.000 0.246 194 V C 2.195 178.404 176.094 0.192 0.000 1.068 194 V CA 0.282 62.697 62.300 0.191 0.000 1.088 194 V CB -0.487 31.421 31.823 0.141 0.000 0.733 194 V HN 0.268 nan 8.190 nan 0.000 0.468 195 L N -0.114 121.208 121.223 0.165 0.000 2.187 195 L HA -0.094 4.246 4.340 -0.001 0.000 0.213 195 L C 2.079 179.048 176.870 0.165 0.000 1.100 195 L CA 1.817 56.761 54.840 0.173 0.000 0.765 195 L CB -0.389 41.810 42.059 0.232 0.000 0.904 195 L HN 0.261 nan 8.230 nan 0.000 0.437 196 L N -2.067 119.267 121.223 0.186 0.000 2.102 196 L HA -0.089 4.251 4.340 -0.001 0.000 0.202 196 L C 2.279 179.195 176.870 0.078 0.000 1.076 196 L CA 0.720 55.585 54.840 0.041 0.000 0.761 196 L CB -0.128 41.783 42.059 -0.247 0.000 0.921 196 L HN 0.199 nan 8.230 nan 0.000 0.444 197 L N -0.679 120.736 121.223 0.320 0.000 2.042 197 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 197 L C 2.746 179.709 176.870 0.155 0.000 1.076 197 L CA 1.222 56.324 54.840 0.437 0.000 0.749 197 L CB -0.637 41.740 42.059 0.531 0.000 0.893 197 L HN 0.214 nan 8.230 nan 0.000 0.432 198 R N -0.446 120.133 120.500 0.133 0.000 2.115 198 R HA -0.090 4.250 4.340 -0.001 0.000 0.230 198 R C 2.233 178.529 176.300 -0.007 0.000 1.111 198 R CA 1.104 57.244 56.100 0.065 0.000 0.976 198 R CB -0.606 29.751 30.300 0.095 0.000 0.870 198 R HN 0.269 nan 8.270 nan 0.000 0.445 199 V N 1.658 121.565 119.914 -0.012 0.000 2.358 199 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 199 V C 2.333 178.404 176.094 -0.038 0.000 1.047 199 V CA 1.563 63.843 62.300 -0.033 0.000 1.035 199 V CB -0.366 31.422 31.823 -0.057 0.000 0.658 199 V HN 0.205 nan 8.190 nan 0.000 0.452 200 L N 0.011 121.171 121.223 -0.104 0.000 2.217 200 L HA 0.204 4.544 4.340 -0.001 0.000 0.211 200 L C 1.802 178.468 176.870 -0.340 0.000 1.107 200 L CA 1.420 56.158 54.840 -0.170 0.000 0.783 200 L CB -0.402 41.513 42.059 -0.239 0.000 0.919 200 L HN 0.520 nan 8.230 nan 0.000 0.442 201 G N -2.684 105.868 108.800 -0.414 0.000 2.559 201 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.202 201 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.202 201 G C -0.428 174.326 174.900 -0.243 0.000 0.992 201 G CA -0.772 44.143 45.100 -0.309 0.000 0.764 201 G HN 0.060 nan 8.290 nan 0.000 0.525 202 Y N 2.855 123.203 120.300 0.079 0.000 2.477 202 Y HA 0.552 5.102 4.550 -0.000 0.000 0.349 202 Y C 0.270 176.209 175.900 0.065 0.000 0.977 202 Y CA -1.875 56.266 58.100 0.069 0.000 1.214 202 Y CB 0.297 38.804 38.460 0.078 0.000 1.124 202 Y HN -0.012 nan 8.280 nan 0.000 0.521 203 D N 1.875 122.388 120.400 0.187 0.000 2.344 203 D HA 0.057 4.696 4.640 -0.001 0.000 0.244 203 D C 1.061 177.433 176.300 0.120 0.000 1.134 203 D CA -0.240 53.834 54.000 0.124 0.000 0.930 203 D CB 0.921 41.774 40.800 0.089 0.000 1.175 203 D HN 0.427 nan 8.370 nan 0.000 0.437 204 Q N 1.073 120.932 119.800 0.098 0.000 2.084 204 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 204 Q C 1.700 177.742 176.000 0.070 0.000 0.978 204 Q CA 1.495 57.350 55.803 0.087 0.000 0.844 204 Q CB -0.281 28.505 28.738 0.080 0.000 0.898 204 Q HN 0.629 nan 8.270 nan 0.000 0.426 205 E N 0.090 120.327 120.200 0.062 0.000 1.998 205 E HA -0.150 4.199 4.350 -0.001 0.000 0.196 205 E C 2.042 178.671 176.600 0.049 0.000 1.003 205 E CA 1.806 58.236 56.400 0.050 0.000 0.829 205 E CB -1.155 28.572 29.700 0.044 0.000 0.777 205 E HN 0.150 nan 8.360 nan 0.000 0.460 206 T N -0.024 114.564 114.554 0.056 0.000 2.665 206 T HA -0.170 4.180 4.350 -0.001 0.000 0.268 206 T C 1.753 176.475 174.700 0.036 0.000 1.035 206 T CA 1.596 63.726 62.100 0.051 0.000 1.151 206 T CB -0.454 68.455 68.868 0.069 0.000 0.862 206 T HN 0.254 nan 8.240 nan 0.000 0.438 207 L N 0.339 121.591 121.223 0.047 0.000 1.971 207 L HA -0.109 4.230 4.340 -0.001 0.000 0.215 207 L C 2.857 179.720 176.870 -0.012 0.000 1.072 207 L CA 1.958 56.801 54.840 0.004 0.000 0.758 207 L CB -0.742 41.349 42.059 0.052 0.000 0.889 207 L HN 0.385 nan 8.230 nan 0.000 0.433 208 A N -0.232 122.603 122.820 0.026 0.000 1.883 208 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 208 A C 2.226 179.826 177.584 0.027 0.000 1.186 208 A CA 2.089 54.150 52.037 0.040 0.000 0.624 208 A CB -0.573 18.458 19.000 0.052 0.000 0.822 208 A HN 0.453 nan 8.150 nan 0.000 0.444 209 R N -0.445 120.069 120.500 0.023 0.000 2.115 209 R HA -0.010 4.330 4.340 -0.001 0.000 0.226 209 R C 2.102 178.415 176.300 0.022 0.000 1.100 209 R CA 1.417 57.531 56.100 0.022 0.000 0.980 209 R CB -0.109 30.206 30.300 0.025 0.000 0.875 209 R HN 0.664 nan 8.270 nan 0.000 0.445 210 E N -0.295 119.912 120.200 0.012 0.000 2.102 210 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 210 E C 1.616 178.230 176.600 0.023 0.000 0.971 210 E CA 0.611 57.020 56.400 0.016 0.000 0.821 210 E CB 0.068 29.765 29.700 -0.005 0.000 0.777 210 E HN 0.119 nan 8.360 nan 0.000 0.460 211 L N -0.199 121.005 121.223 -0.031 0.000 2.341 211 L HA 0.143 4.483 4.340 -0.001 0.000 0.214 211 L C 1.623 178.443 176.870 -0.085 0.000 1.115 211 L CA 1.613 56.410 54.840 -0.071 0.000 0.820 211 L CB 0.145 42.051 42.059 -0.256 0.000 0.944 211 L HN 0.032 nan 8.230 nan 0.000 0.452 212 G N -1.900 106.879 108.800 -0.035 0.000 3.453 212 G HA2 0.293 4.253 3.960 -0.001 0.000 0.263 212 G HA3 0.293 4.253 3.960 -0.001 0.000 0.263 212 G C 1.315 176.172 174.900 -0.071 0.000 1.060 212 G CA 0.354 45.411 45.100 -0.070 0.000 0.793 212 G HN 0.472 nan 8.290 nan 0.000 0.532 213 A N 0.904 123.728 122.820 0.007 0.000 1.940 213 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 213 A C 2.060 179.691 177.584 0.079 0.000 1.176 213 A CA 1.810 53.877 52.037 0.050 0.000 0.631 213 A CB -0.554 18.497 19.000 0.084 0.000 0.814 213 A HN 0.781 nan 8.150 nan 0.000 0.446 214 Y N -1.450 118.869 120.300 0.032 0.000 2.448 214 Y HA 0.474 5.024 4.550 -0.001 0.000 0.289 214 Y C 0.991 176.902 175.900 0.018 0.000 1.114 214 Y CA -0.209 57.902 58.100 0.019 0.000 1.235 214 Y CB -0.657 37.810 38.460 0.013 0.000 1.045 214 Y HN 0.210 nan 8.280 nan 0.000 0.554 215 G N 0.005 108.551 108.800 -0.423 0.000 2.788 215 G HA2 0.338 4.297 3.960 -0.001 0.000 0.293 215 G HA3 0.338 4.297 3.960 -0.001 0.000 0.293 215 G C -0.460 174.296 174.900 -0.241 0.000 1.305 215 G CA -0.258 44.629 45.100 -0.355 0.000 1.005 215 G HN 0.170 nan 8.290 nan 0.000 0.496 216 E N -0.357 119.688 120.200 -0.259 0.000 2.490 216 E HA 0.040 4.389 4.350 -0.001 0.000 0.209 216 E C 1.961 178.383 176.600 -0.297 0.000 0.971 216 E CA -0.095 56.182 56.400 -0.206 0.000 0.988 216 E CB 0.170 29.783 29.700 -0.144 0.000 1.029 216 E HN 0.472 nan 8.360 nan 0.000 0.496 217 L N 0.792 121.670 121.223 -0.575 0.000 2.349 217 L HA -0.077 4.263 4.340 -0.001 0.000 0.220 217 L C 2.357 178.926 176.870 -0.502 0.000 1.130 217 L CA 0.430 54.802 54.840 -0.780 0.000 0.791 217 L CB -0.782 40.328 42.059 -1.581 0.000 0.918 217 L HN -0.020 nan 8.230 nan 0.000 0.444 218 V N 0.270 120.062 119.914 -0.202 0.000 2.828 218 V HA -0.285 3.835 4.120 -0.001 0.000 0.260 218 V C 2.384 178.522 176.094 0.073 0.000 1.101 218 V CA 1.605 64.012 62.300 0.179 0.000 1.123 218 V CB -0.362 31.556 31.823 0.159 0.000 0.704 218 V HN 0.556 nan 8.190 nan 0.000 0.493 219 Q N -0.723 119.070 119.800 -0.013 0.000 2.378 219 Q HA 0.009 4.349 4.340 -0.001 0.000 0.205 219 Q C 2.192 178.201 176.000 0.015 0.000 0.954 219 Q CA 1.102 56.904 55.803 -0.001 0.000 0.901 219 Q CB -0.174 28.546 28.738 -0.030 0.000 0.981 219 Q HN 0.676 nan 8.270 nan 0.000 0.483 220 G N 0.329 109.138 108.800 0.015 0.000 2.603 220 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.214 220 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.214 220 G C 1.369 176.314 174.900 0.075 0.000 1.140 220 G CA 0.459 45.580 45.100 0.034 0.000 0.800 220 G HN 0.360 nan 8.290 nan 0.000 0.533 221 L N -1.232 120.060 121.223 0.115 0.000 2.095 221 L HA 0.322 4.662 4.340 -0.001 0.000 0.204 221 L C 2.387 179.320 176.870 0.104 0.000 1.080 221 L CA 1.499 56.414 54.840 0.124 0.000 0.759 221 L CB -0.494 41.659 42.059 0.157 0.000 0.914 221 L HN 0.081 nan 8.230 nan 0.000 0.439 222 M N -0.013 119.642 119.600 0.091 0.000 2.618 222 M HA 0.002 4.481 4.480 -0.001 0.000 0.240 222 M C 1.391 177.741 176.300 0.083 0.000 1.123 222 M CA 0.558 55.909 55.300 0.084 0.000 1.060 222 M CB -0.595 32.045 32.600 0.067 0.000 1.535 222 M HN 0.365 nan 8.290 nan 0.000 0.507 223 D N 2.193 122.641 120.400 0.081 0.000 2.286 223 D HA -0.187 4.453 4.640 -0.001 0.000 0.197 223 D C 0.599 176.965 176.300 0.110 0.000 1.015 223 D CA 1.391 55.440 54.000 0.081 0.000 0.871 223 D CB 0.064 40.908 40.800 0.073 0.000 1.044 223 D HN 0.248 nan 8.370 nan 0.000 0.459 224 E N 0.772 121.063 120.200 0.153 0.000 2.053 224 E HA 0.020 4.370 4.350 -0.001 0.000 0.297 224 E C 0.812 177.561 176.600 0.248 0.000 1.173 224 E CA -0.050 56.502 56.400 0.253 0.000 1.219 224 E CB 0.315 30.232 29.700 0.361 0.000 1.103 224 E HN 0.139 nan 8.360 nan 0.000 0.476 225 S N 1.012 116.796 115.700 0.140 0.000 2.382 225 S HA -0.149 4.321 4.470 -0.001 0.000 0.228 225 S C 1.903 176.537 174.600 0.057 0.000 1.027 225 S CA 0.893 59.149 58.200 0.093 0.000 0.991 225 S CB 0.020 63.252 63.200 0.053 0.000 0.823 225 S HN 0.495 nan 8.310 nan 0.000 0.469 226 V N 0.691 120.596 119.914 -0.016 0.000 2.324 226 V HA -0.199 3.921 4.120 -0.001 0.000 0.250 226 V C 1.612 177.544 176.094 -0.270 0.000 1.060 226 V CA 2.132 64.307 62.300 -0.209 0.000 1.042 226 V CB -0.599 30.986 31.823 -0.398 0.000 0.650 226 V HN 0.618 nan 8.190 nan 0.000 0.450 227 F N 0.651 120.623 119.950 0.037 0.000 2.473 227 F HA 0.373 4.899 4.527 -0.001 0.000 0.294 227 F C 2.372 178.195 175.800 0.037 0.000 1.103 227 F CA 0.871 58.894 58.000 0.037 0.000 1.442 227 F CB -0.854 38.177 39.000 0.051 0.000 1.097 227 F HN 0.208 nan 8.300 nan 0.000 0.547 228 A N -0.104 122.852 122.820 0.226 0.000 2.209 228 A HA -0.023 4.296 4.320 -0.001 0.000 0.212 228 A C 1.967 179.605 177.584 0.091 0.000 1.158 228 A CA 0.819 52.946 52.037 0.151 0.000 0.742 228 A CB -0.602 18.483 19.000 0.142 0.000 0.790 228 A HN 0.237 nan 8.150 nan 0.000 0.472 229 M N -0.394 119.243 119.600 0.061 0.000 2.561 229 M HA 0.122 4.602 4.480 -0.001 0.000 0.238 229 M C -0.052 176.265 176.300 0.027 0.000 1.131 229 M CA 0.629 55.949 55.300 0.033 0.000 1.046 229 M CB -0.197 32.408 32.600 0.008 0.000 1.532 229 M HN 0.209 nan 8.290 nan 0.000 0.497 230 R N 0.221 120.745 120.500 0.039 0.000 2.435 230 R HA 0.321 4.660 4.340 -0.001 0.000 0.308 230 R C -2.254 174.065 176.300 0.032 0.000 0.975 230 R CA -1.466 54.651 56.100 0.028 0.000 0.867 230 R CB 1.457 31.771 30.300 0.023 0.000 1.171 230 R HN -0.083 nan 8.270 nan 0.000 0.470 231 P HA -0.137 nan 4.420 nan 0.000 0.202 231 P C 0.583 177.876 177.300 -0.012 0.000 1.027 231 P CA 0.629 63.731 63.100 0.003 0.000 0.791 231 P CB 0.236 31.932 31.700 -0.006 0.000 0.612 232 E N -0.332 119.854 120.200 -0.022 0.000 2.284 232 E HA -0.254 4.096 4.350 -0.001 0.000 0.200 232 E C 1.947 178.519 176.600 -0.047 0.000 1.008 232 E CA 0.835 57.213 56.400 -0.036 0.000 0.829 232 E CB -0.299 29.382 29.700 -0.032 0.000 0.744 232 E HN 0.344 nan 8.360 nan 0.000 0.491 233 E N 0.265 120.449 120.200 -0.026 0.000 2.152 233 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 233 E C 1.924 178.503 176.600 -0.034 0.000 0.983 233 E CA 0.695 57.082 56.400 -0.021 0.000 0.818 233 E CB 0.041 29.744 29.700 0.005 0.000 0.758 233 E HN 0.217 nan 8.360 nan 0.000 0.467 234 A N 1.212 124.019 122.820 -0.022 0.000 2.121 234 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 234 A C 2.183 179.684 177.584 -0.138 0.000 1.154 234 A CA 0.638 52.662 52.037 -0.022 0.000 0.679 234 A CB -0.501 18.515 19.000 0.026 0.000 0.795 234 A HN 0.339 nan 8.150 nan 0.000 0.458 235 L N -1.161 119.938 121.223 -0.206 0.000 2.072 235 L HA -0.079 4.261 4.340 -0.001 0.000 0.205 235 L C 2.019 178.427 176.870 -0.770 0.000 1.079 235 L CA 1.577 56.159 54.840 -0.430 0.000 0.752 235 L CB -0.201 41.677 42.059 -0.301 0.000 0.906 235 L HN 0.293 nan 8.230 nan 0.000 0.436 236 I N -0.128 120.191 120.570 -0.417 0.000 2.500 236 I HA -0.114 4.056 4.170 -0.001 0.000 0.252 236 I C 2.648 178.701 176.117 -0.107 0.000 1.142 236 I CA 0.855 62.010 61.300 -0.242 0.000 1.451 236 I CB -0.368 37.612 38.000 -0.032 0.000 1.093 236 I HN 0.161 nan 8.210 nan 0.000 0.430 237 R N 0.427 120.867 120.500 -0.100 0.000 2.092 237 R HA -0.068 4.272 4.340 -0.001 0.000 0.231 237 R C 2.154 178.406 176.300 -0.081 0.000 1.119 237 R CA 1.214 57.298 56.100 -0.027 0.000 0.970 237 R CB -0.193 30.130 30.300 0.039 0.000 0.864 237 R HN 0.214 nan 8.270 nan 0.000 0.440 238 L N -0.594 120.523 121.223 -0.176 0.000 2.027 238 L HA -0.112 4.227 4.340 -0.001 0.000 0.206 238 L C 1.792 178.598 176.870 -0.106 0.000 1.074 238 L CA 1.177 55.873 54.840 -0.242 0.000 0.745 238 L CB -0.367 41.516 42.059 -0.295 0.000 0.898 238 L HN 0.147 nan 8.230 nan 0.000 0.433 239 F N -0.184 119.691 119.950 -0.125 0.000 2.154 239 F HA -0.262 4.264 4.527 -0.000 0.000 0.301 239 F C 2.626 178.374 175.800 -0.087 0.000 1.087 239 F CA 1.571 59.512 58.000 -0.098 0.000 1.274 239 F CB -1.728 37.231 39.000 -0.068 0.000 1.009 239 F HN 0.084 nan 8.300 nan 0.000 0.485 240 T N 0.389 115.018 114.554 0.125 0.000 2.821 240 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 240 T C 2.362 177.061 174.700 -0.000 0.000 1.046 240 T CA 0.834 62.967 62.100 0.054 0.000 1.139 240 T CB -0.537 68.357 68.868 0.044 0.000 0.871 240 T HN 0.163 nan 8.240 nan 0.000 0.454 241 L N 0.256 121.443 121.223 -0.061 0.000 2.083 241 L HA 0.039 4.379 4.340 -0.001 0.000 0.209 241 L C 0.891 177.701 176.870 -0.100 0.000 1.083 241 L CA 0.702 55.469 54.840 -0.121 0.000 0.752 241 L CB -0.336 41.552 42.059 -0.286 0.000 0.899 241 L HN 0.231 nan 8.230 nan 0.000 0.433 242 L N 0.004 121.180 121.223 -0.080 0.000 2.472 242 L HA 0.001 4.341 4.340 -0.001 0.000 0.273 242 L C 0.238 177.096 176.870 -0.021 0.000 1.254 242 L CA 0.398 55.213 54.840 -0.043 0.000 0.823 242 L CB 0.137 42.190 42.059 -0.010 0.000 1.096 242 L HN 0.243 nan 8.230 nan 0.000 0.521 243 R N 0.735 121.228 120.500 -0.012 0.000 2.569 243 R HA 0.496 4.836 4.340 -0.001 0.000 0.293 243 R C -2.610 173.686 176.300 -0.006 0.000 1.186 243 R CA -1.051 55.045 56.100 -0.007 0.000 0.956 243 R CB 0.889 31.187 30.300 -0.003 0.000 1.196 243 R HN 0.415 nan 8.270 nan 0.000 0.444 244 P HA 0.268 nan 4.420 nan 0.000 0.530 244 P C -0.237 177.057 177.300 -0.010 0.000 0.951 244 P CA 0.475 63.568 63.100 -0.012 0.000 2.461 244 P CB 1.278 32.965 31.700 -0.021 0.000 1.152 245 G N 0.978 109.772 108.800 -0.010 0.000 2.919 245 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.225 245 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.225 245 G C -0.961 173.930 174.900 -0.014 0.000 1.117 245 G CA -0.470 44.627 45.100 -0.006 0.000 1.033 245 G HN 0.209 nan 8.290 nan 0.000 0.532 246 D N 0.229 120.616 120.400 -0.022 0.000 2.326 246 D HA 0.538 5.177 4.640 -0.001 0.000 0.251 246 D C -1.907 174.377 176.300 -0.027 0.000 1.023 246 D CA -1.141 52.834 54.000 -0.040 0.000 0.966 246 D CB 1.296 42.047 40.800 -0.081 0.000 1.156 246 D HN 0.100 nan 8.370 nan 0.000 0.494 247 P HA 0.122 nan 4.420 nan 0.000 0.263 247 P C -1.957 175.348 177.300 0.009 0.000 1.195 247 P CA -0.680 62.411 63.100 -0.014 0.000 0.762 247 P CB 0.236 31.921 31.700 -0.025 0.000 0.799 248 P HA -0.098 nan 4.420 nan 0.000 0.218 248 P C -0.235 177.147 177.300 0.136 0.000 1.149 248 P CA 1.318 64.477 63.100 0.099 0.000 0.817 248 P CB 0.262 32.006 31.700 0.073 0.000 0.785 249 K N 0.429 120.875 120.400 0.078 0.000 2.262 249 K HA 0.386 4.706 4.320 -0.001 0.000 0.282 249 K C 0.128 176.757 176.600 0.047 0.000 1.066 249 K CA -0.206 56.128 56.287 0.078 0.000 0.901 249 K CB 1.011 33.539 32.500 0.046 0.000 1.089 249 K HN -0.149 nan 8.250 nan 0.000 0.476 250 R N 3.309 123.863 120.500 0.090 0.000 3.124 250 R HA -0.009 4.330 4.340 -0.001 0.000 0.212 250 R C -0.348 176.032 176.300 0.134 0.000 1.677 250 R CA -0.140 55.977 56.100 0.029 0.000 1.186 250 R CB 0.150 30.341 30.300 -0.181 0.000 1.571 250 R HN 0.740 nan 8.270 nan 0.000 0.583 251 D N 1.881 122.337 120.400 0.094 0.000 2.984 251 D HA -0.253 4.386 4.640 -0.001 0.000 0.266 251 D C 0.180 176.538 176.300 0.096 0.000 1.083 251 D CA 2.021 56.070 54.000 0.081 0.000 0.985 251 D CB 0.305 41.136 40.800 0.050 0.000 1.137 251 D HN 0.377 nan 8.370 nan 0.000 0.495 252 K N -1.251 119.134 120.400 -0.025 0.000 2.761 252 K HA 0.542 4.862 4.320 -0.001 0.000 0.196 252 K C 0.516 176.705 176.600 -0.686 0.000 1.134 252 K CA 0.342 56.538 56.287 -0.153 0.000 1.082 252 K CB 0.964 33.340 32.500 -0.207 0.000 0.768 252 K HN 0.101 nan 8.250 nan 0.000 0.475 253 A N 0.735 123.380 122.820 -0.291 0.000 1.824 253 A HA -0.101 4.219 4.320 -0.001 0.000 0.215 253 A C 1.888 179.349 177.584 -0.205 0.000 1.209 253 A CA 2.002 53.936 52.037 -0.172 0.000 0.614 253 A CB -0.777 18.155 19.000 -0.113 0.000 0.852 253 A HN 0.063 nan 8.150 nan 0.000 0.447 254 V N -0.506 119.231 119.914 -0.296 0.000 2.809 254 V HA -0.031 4.089 4.120 -0.001 0.000 0.256 254 V C 2.686 178.532 176.094 -0.413 0.000 1.080 254 V CA 1.385 63.460 62.300 -0.376 0.000 1.102 254 V CB -1.511 30.064 31.823 -0.415 0.000 0.705 254 V HN 0.579 nan 8.190 nan 0.000 0.475 255 A N -0.985 121.655 122.820 -0.301 0.000 2.121 255 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 255 A C 2.002 179.264 177.584 -0.537 0.000 1.154 255 A CA 1.144 52.832 52.037 -0.582 0.000 0.679 255 A CB -0.564 17.784 19.000 -1.087 0.000 0.795 255 A HN 0.522 nan 8.150 nan 0.000 0.458 256 Y N -0.236 119.905 120.300 -0.266 0.000 2.184 256 Y HA -0.108 4.441 4.550 -0.001 0.000 0.290 256 Y C 2.613 178.385 175.900 -0.214 0.000 1.129 256 Y CA 0.861 58.889 58.100 -0.121 0.000 1.144 256 Y CB -0.980 37.469 38.460 -0.018 0.000 0.995 256 Y HN 0.092 nan 8.280 nan 0.000 0.513 257 V N -1.065 118.731 119.914 -0.198 0.000 2.392 257 V HA -0.314 3.805 4.120 -0.001 0.000 0.249 257 V C 1.186 177.192 176.094 -0.148 0.000 1.059 257 V CA 1.797 63.916 62.300 -0.302 0.000 1.051 257 V CB -1.073 30.392 31.823 -0.597 0.000 0.658 257 V HN 0.477 nan 8.190 nan 0.000 0.455 258 Y N -0.187 120.088 120.300 -0.041 0.000 2.625 258 Y HA 0.494 5.044 4.550 -0.000 0.000 0.285 258 Y C 1.715 177.582 175.900 -0.055 0.000 1.168 258 Y CA -0.212 57.853 58.100 -0.058 0.000 1.250 258 Y CB 0.144 38.559 38.460 -0.074 0.000 1.130 258 Y HN 0.236 nan 8.280 nan 0.000 0.526 259 G N 0.416 109.248 108.800 0.052 0.000 2.495 259 G HA2 0.067 4.027 3.960 -0.001 0.000 0.219 259 G HA3 0.067 4.027 3.960 -0.001 0.000 0.219 259 G C 0.833 175.780 174.900 0.079 0.000 1.875 259 G CA 0.390 45.533 45.100 0.071 0.000 0.757 259 G HN 0.218 nan 8.290 nan 0.000 0.682 260 L N -0.787 120.458 121.223 0.037 0.000 2.526 260 L HA 0.513 4.852 4.340 -0.001 0.000 0.210 260 L C 2.094 178.921 176.870 -0.071 0.000 1.048 260 L CA 1.005 55.831 54.840 -0.022 0.000 0.852 260 L CB -0.380 41.614 42.059 -0.109 0.000 1.128 260 L HN 0.233 nan 8.230 nan 0.000 0.482 261 I N 0.716 121.219 120.570 -0.112 0.000 2.834 261 I HA 0.362 4.532 4.170 -0.001 0.000 0.239 261 I C 2.425 178.500 176.117 -0.070 0.000 1.073 261 I CA 1.158 62.391 61.300 -0.112 0.000 1.459 261 I CB -1.298 36.606 38.000 -0.159 0.000 1.288 261 I HN 0.223 nan 8.210 nan 0.000 0.455 262 A N 0.957 123.743 122.820 -0.057 0.000 1.935 262 A HA -0.102 4.217 4.320 -0.001 0.000 0.211 262 A C 1.930 179.488 177.584 -0.044 0.000 1.388 262 A CA 1.646 53.656 52.037 -0.045 0.000 0.600 262 A CB -1.121 17.861 19.000 -0.030 0.000 1.011 262 A HN 0.390 nan 8.150 nan 0.000 0.481 263 D N 0.579 120.979 120.400 -0.000 0.000 2.160 263 D HA -0.089 4.551 4.640 -0.001 0.000 0.189 263 D C -1.086 175.163 176.300 -0.085 0.000 1.003 263 D CA 1.575 55.566 54.000 -0.015 0.000 0.846 263 D CB -2.266 38.588 40.800 0.090 0.000 0.949 263 D HN 0.289 nan 8.370 nan 0.000 0.446 264 P HA 0.067 nan 4.420 nan 0.000 0.291 264 P C 0.138 177.313 177.300 -0.208 0.000 1.287 264 P CA 0.034 63.077 63.100 -0.094 0.000 0.767 264 P CB 0.531 32.233 31.700 0.002 0.000 1.290 265 R N 0.416 120.716 120.500 -0.333 0.000 2.750 265 R HA 0.323 4.663 4.340 -0.001 0.000 0.281 265 R C 0.591 176.765 176.300 -0.210 0.000 0.972 265 R CA -0.726 55.015 56.100 -0.598 0.000 0.912 265 R CB 1.202 30.574 30.300 -1.547 0.000 1.187 265 R HN 0.286 nan 8.270 nan 0.000 0.464 266 R N 2.637 123.065 120.500 -0.120 0.000 2.346 266 R HA 0.054 4.394 4.340 -0.001 0.000 0.225 266 R C -0.412 175.989 176.300 0.169 0.000 0.987 266 R CA -0.011 56.118 56.100 0.049 0.000 1.106 266 R CB -0.249 30.050 30.300 -0.000 0.000 1.090 266 R HN 0.500 nan 8.270 nan 0.000 0.502 267 Y N -0.021 120.287 120.300 0.012 0.000 2.632 267 Y HA 0.041 4.591 4.550 -0.001 0.000 0.329 267 Y C 0.171 176.088 175.900 0.029 0.000 1.174 267 Y CA -1.429 56.684 58.100 0.021 0.000 1.469 267 Y CB 0.152 38.632 38.460 0.033 0.000 1.242 267 Y HN -0.126 nan 8.280 nan 0.000 0.540 268 D N 3.561 124.069 120.400 0.179 0.000 3.587 268 D HA -0.203 4.437 4.640 -0.001 0.000 0.190 268 D C -0.149 176.177 176.300 0.043 0.000 1.039 268 D CA 0.847 54.899 54.000 0.087 0.000 0.710 268 D CB 0.601 41.433 40.800 0.052 0.000 1.146 268 D HN 0.681 nan 8.370 nan 0.000 0.552 269 L N 3.033 124.287 121.223 0.051 0.000 2.530 269 L HA 0.283 4.623 4.340 -0.001 0.000 0.273 269 L C 1.395 178.270 176.870 0.009 0.000 1.141 269 L CA 0.855 55.714 54.840 0.032 0.000 0.905 269 L CB -0.214 41.874 42.059 0.049 0.000 1.202 269 L HN 0.717 nan 8.230 nan 0.000 0.473 270 G N 3.410 112.200 108.800 -0.018 0.000 3.426 270 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.196 270 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.196 270 G C 0.738 175.633 174.900 -0.009 0.000 1.763 270 G CA 0.092 45.189 45.100 -0.005 0.000 1.210 270 G HN 0.519 nan 8.290 nan 0.000 0.472 271 E N 0.780 120.969 120.200 -0.019 0.000 2.490 271 E HA 0.424 4.774 4.350 -0.001 0.000 0.209 271 E C 2.445 179.028 176.600 -0.029 0.000 0.971 271 E CA 0.696 57.093 56.400 -0.005 0.000 0.988 271 E CB 0.942 30.627 29.700 -0.025 0.000 1.029 271 E HN 0.519 nan 8.360 nan 0.000 0.496 272 A N 1.263 124.020 122.820 -0.105 0.000 1.829 272 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 272 A C 2.221 179.683 177.584 -0.202 0.000 1.207 272 A CA 2.245 54.186 52.037 -0.161 0.000 0.622 272 A CB -0.975 17.841 19.000 -0.307 0.000 0.846 272 A HN 0.301 nan 8.150 nan 0.000 0.447 273 G N -2.076 106.365 108.800 -0.599 0.000 2.651 273 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.207 273 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.207 273 G C 1.568 176.426 174.900 -0.071 0.000 1.131 273 G CA 0.642 45.534 45.100 -0.347 0.000 0.816 273 G HN 0.394 nan 8.290 nan 0.000 0.534 274 R N 0.305 120.750 120.500 -0.091 0.000 2.261 274 R HA -0.177 4.163 4.340 -0.001 0.000 0.236 274 R C 1.909 178.247 176.300 0.062 0.000 1.141 274 R CA 1.501 57.597 56.100 -0.006 0.000 1.001 274 R CB -0.628 29.667 30.300 -0.007 0.000 0.866 274 R HN 0.529 nan 8.270 nan 0.000 0.468 275 Y N 0.820 121.094 120.300 -0.043 0.000 2.133 275 Y HA -0.092 4.458 4.550 -0.000 0.000 0.287 275 Y C 1.828 177.726 175.900 -0.004 0.000 1.134 275 Y CA 1.614 59.702 58.100 -0.020 0.000 1.133 275 Y CB -0.272 38.181 38.460 -0.012 0.000 0.987 275 Y HN -0.099 nan 8.280 nan 0.000 0.502 276 K N 0.495 120.765 120.400 -0.217 0.000 2.442 276 K HA -0.073 4.247 4.320 -0.001 0.000 0.198 276 K C 1.892 178.425 176.600 -0.111 0.000 1.044 276 K CA 0.593 56.727 56.287 -0.255 0.000 0.948 276 K CB -0.164 32.367 32.500 0.052 0.000 0.762 276 K HN 0.521 nan 8.250 nan 0.000 0.472 277 A N 1.115 123.892 122.820 -0.071 0.000 1.974 277 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 277 A C 1.801 179.331 177.584 -0.090 0.000 1.479 277 A CA 0.708 52.713 52.037 -0.055 0.000 0.615 277 A CB -0.709 18.276 19.000 -0.025 0.000 1.130 277 A HN 0.120 nan 8.150 nan 0.000 0.497 278 E N -0.110 120.051 120.200 -0.067 0.000 2.172 278 E HA -0.333 4.017 4.350 -0.001 0.000 0.213 278 E C 1.913 178.455 176.600 -0.096 0.000 1.051 278 E CA 2.498 58.858 56.400 -0.066 0.000 0.860 278 E CB -0.169 29.515 29.700 -0.026 0.000 0.755 278 E HN 0.756 nan 8.360 nan 0.000 0.462 279 E N 0.325 120.456 120.200 -0.115 0.000 2.033 279 E HA -0.136 4.214 4.350 -0.001 0.000 0.189 279 E C 1.723 178.243 176.600 -0.134 0.000 0.979 279 E CA 1.612 57.940 56.400 -0.120 0.000 0.802 279 E CB -0.181 29.428 29.700 -0.152 0.000 0.763 279 E HN 0.159 nan 8.360 nan 0.000 0.449 280 K N 0.130 120.447 120.400 -0.139 0.000 2.007 280 K HA 0.144 4.463 4.320 -0.001 0.000 0.206 280 K C 0.723 177.143 176.600 -0.300 0.000 1.047 280 K CA 1.408 57.651 56.287 -0.074 0.000 0.937 280 K CB -0.243 32.285 32.500 0.047 0.000 0.718 280 K HN 0.328 nan 8.250 nan 0.000 0.438 281 L N -4.328 116.715 121.223 -0.301 0.000 2.518 281 L HA 0.658 4.998 4.340 -0.001 0.000 0.257 281 L C -0.547 176.146 176.870 -0.296 0.000 0.980 281 L CA -0.873 53.608 54.840 -0.597 0.000 0.837 281 L CB 2.000 43.816 42.059 -0.404 0.000 1.410 281 L HN 0.299 nan 8.230 nan 0.000 0.410 282 G N 0.898 109.526 108.800 -0.287 0.000 2.870 282 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.685 282 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.685 282 G C -0.012 174.826 174.900 -0.105 0.000 1.556 282 G CA 0.189 45.204 45.100 -0.142 0.000 1.042 282 G HN 0.965 nan 8.290 nan 0.000 0.592 283 I N 0.159 120.690 120.570 -0.065 0.000 2.947 283 I HA 0.277 4.446 4.170 -0.001 0.000 0.263 283 I C 1.411 177.516 176.117 -0.019 0.000 1.130 283 I CA 0.577 61.851 61.300 -0.044 0.000 1.448 283 I CB 0.074 38.055 38.000 -0.032 0.000 1.222 283 I HN 0.500 nan 8.210 nan 0.000 0.453 284 R N 1.713 122.211 120.500 -0.004 0.000 2.892 284 R HA 0.712 5.051 4.340 -0.001 0.000 0.265 284 R C -1.411 174.907 176.300 0.030 0.000 1.025 284 R CA -0.701 55.408 56.100 0.015 0.000 0.982 284 R CB 1.983 32.298 30.300 0.024 0.000 1.185 284 R HN 0.170 nan 8.270 nan 0.000 0.484 285 L N 0.168 121.415 121.223 0.039 0.000 2.446 285 L HA 0.604 4.944 4.340 -0.001 0.000 0.268 285 L C -1.289 175.620 176.870 0.064 0.000 0.975 285 L CA -0.463 54.410 54.840 0.055 0.000 0.848 285 L CB 2.371 44.456 42.059 0.044 0.000 1.225 285 L HN 0.476 nan 8.230 nan 0.000 0.410 286 S N 3.178 118.926 115.700 0.081 0.000 2.404 286 S HA 0.779 5.249 4.470 -0.001 0.000 0.309 286 S C 0.309 174.968 174.600 0.097 0.000 1.076 286 S CA 0.502 58.753 58.200 0.085 0.000 1.095 286 S CB 0.443 63.699 63.200 0.092 0.000 0.972 286 S HN 1.417 nan 8.310 nan 0.000 0.484 287 G N 4.533 113.385 108.800 0.087 0.000 3.172 287 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.686 287 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.686 287 G C 0.341 175.297 174.900 0.094 0.000 1.009 287 G CA -0.244 44.911 45.100 0.091 0.000 0.787 287 G HN 0.749 nan 8.290 nan 0.000 0.559 288 R N 0.096 120.652 120.500 0.094 0.000 2.386 288 R HA -0.307 4.033 4.340 -0.001 0.000 0.194 288 R C 2.095 178.487 176.300 0.153 0.000 1.052 288 R CA 2.903 59.079 56.100 0.127 0.000 0.564 288 R CB -1.321 29.085 30.300 0.176 0.000 0.826 288 R HN 1.133 nan 8.270 nan 0.000 0.304 289 T N -0.289 114.377 114.554 0.186 0.000 2.897 289 T HA 0.446 4.796 4.350 -0.001 0.000 0.278 289 T C 0.612 175.390 174.700 0.129 0.000 0.981 289 T CA -0.740 61.464 62.100 0.174 0.000 0.973 289 T CB 0.648 69.620 68.868 0.174 0.000 1.092 289 T HN 0.404 nan 8.240 nan 0.000 0.543 290 L N 0.006 121.303 121.223 0.123 0.000 3.036 290 L HA 0.431 4.771 4.340 -0.001 0.000 0.304 290 L C 0.128 177.080 176.870 0.135 0.000 1.203 290 L CA -0.480 54.440 54.840 0.132 0.000 1.194 290 L CB -1.861 40.279 42.059 0.134 0.000 1.517 290 L HN 0.752 nan 8.230 nan 0.000 0.423 291 A N 4.494 127.400 122.820 0.144 0.000 2.386 291 A HA 0.957 5.277 4.320 -0.001 0.000 0.311 291 A C -0.209 177.499 177.584 0.207 0.000 1.068 291 A CA -0.847 51.280 52.037 0.150 0.000 0.743 291 A CB 1.785 20.846 19.000 0.101 0.000 1.258 291 A HN 0.794 nan 8.150 nan 0.000 0.429 292 R N 0.904 121.577 120.500 0.288 0.000 3.329 292 R HA 0.379 4.719 4.340 -0.001 0.000 0.251 292 R C -1.882 174.769 176.300 0.585 0.000 1.023 292 R CA -0.314 56.012 56.100 0.377 0.000 1.009 292 R CB 0.680 31.161 30.300 0.301 0.000 1.250 292 R HN 1.502 nan 8.270 nan 0.000 0.518 293 F N 2.571 122.637 119.950 0.194 0.000 2.617 293 F HA 0.407 4.933 4.527 -0.001 0.000 0.357 293 F C 0.041 175.899 175.800 0.097 0.000 1.315 293 F CA -0.684 57.453 58.000 0.228 0.000 1.055 293 F CB -0.045 38.982 39.000 0.044 0.000 1.308 293 F HN 0.636 nan 8.300 nan 0.000 0.506 294 E N 0.797 120.953 120.200 -0.073 0.000 2.166 294 E HA -0.027 4.322 4.350 -0.001 0.000 0.192 294 E C 0.297 176.798 176.600 -0.164 0.000 0.967 294 E CA 1.242 57.511 56.400 -0.218 0.000 0.840 294 E CB 0.273 29.922 29.700 -0.084 0.000 0.795 294 E HN 0.442 nan 8.360 nan 0.000 0.470 295 D N -1.775 118.552 120.400 -0.122 0.000 2.474 295 D HA 0.197 4.836 4.640 -0.001 0.000 0.213 295 D C 0.881 177.072 176.300 -0.182 0.000 1.120 295 D CA 0.836 54.756 54.000 -0.133 0.000 0.836 295 D CB 1.225 41.957 40.800 -0.113 0.000 1.019 295 D HN 0.332 nan 8.370 nan 0.000 0.507 296 G N 0.636 109.290 108.800 -0.245 0.000 2.299 296 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.237 296 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.237 296 G C 0.362 174.714 174.900 -0.914 0.000 1.027 296 G CA -0.167 44.690 45.100 -0.405 0.000 0.619 296 G HN 0.246 nan 8.290 nan 0.000 0.513 297 E N 0.958 120.787 120.200 -0.618 0.000 2.130 297 E HA 0.518 4.868 4.350 -0.001 0.000 0.284 297 E C -0.125 176.178 176.600 -0.496 0.000 1.018 297 E CA -0.393 55.670 56.400 -0.562 0.000 0.817 297 E CB 0.255 29.806 29.700 -0.247 0.000 1.078 297 E HN 0.309 nan 8.360 nan 0.000 0.396 298 F N 2.319 122.274 119.950 0.009 0.000 2.370 298 F HA 0.293 4.820 4.527 -0.001 0.000 0.324 298 F C 1.085 176.900 175.800 0.024 0.000 1.116 298 F CA -0.771 57.254 58.000 0.042 0.000 1.123 298 F CB 0.620 39.643 39.000 0.038 0.000 1.238 298 F HN 0.139 nan 8.300 nan 0.000 0.536 299 K N 0.807 121.360 120.400 0.255 0.000 2.376 299 K HA 0.426 4.746 4.320 -0.001 0.000 0.257 299 K C -1.862 174.873 176.600 0.225 0.000 0.939 299 K CA -0.831 55.575 56.287 0.197 0.000 0.809 299 K CB 1.868 34.465 32.500 0.163 0.000 1.121 299 K HN 0.678 nan 8.250 nan 0.000 0.425 300 D N 3.699 124.257 120.400 0.263 0.000 2.408 300 D HA 0.063 4.703 4.640 -0.001 0.000 0.261 300 D C -0.294 176.179 176.300 0.288 0.000 1.190 300 D CA -0.555 53.612 54.000 0.279 0.000 0.910 300 D CB 1.193 42.184 40.800 0.318 0.000 1.097 300 D HN 0.717 nan 8.370 nan 0.000 0.522 301 E N 0.700 121.018 120.200 0.196 0.000 2.476 301 E HA 0.002 4.352 4.350 -0.001 0.000 0.191 301 E C 1.201 177.861 176.600 0.099 0.000 1.064 301 E CA -0.031 56.449 56.400 0.133 0.000 0.866 301 E CB 1.188 30.947 29.700 0.098 0.000 0.952 301 E HN 0.311 nan 8.360 nan 0.000 0.492 302 V N -0.268 119.731 119.914 0.141 0.000 3.212 302 V HA -0.021 4.098 4.120 -0.001 0.000 0.244 302 V C 1.457 177.642 176.094 0.151 0.000 1.151 302 V CA 0.219 62.588 62.300 0.116 0.000 1.119 302 V CB -0.048 31.846 31.823 0.118 0.000 0.838 302 V HN 0.163 nan 8.190 nan 0.000 0.470 303 F N 0.475 120.466 119.950 0.069 0.000 2.234 303 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 303 F C 1.808 177.619 175.800 0.018 0.000 1.087 303 F CA 2.167 60.206 58.000 0.065 0.000 1.340 303 F CB 0.086 39.157 39.000 0.119 0.000 1.031 303 F HN 0.197 nan 8.300 nan 0.000 0.500 304 L N 0.139 121.316 121.223 -0.077 0.000 2.162 304 L HA 0.074 4.414 4.340 -0.001 0.000 0.205 304 L C -0.931 175.786 176.870 -0.255 0.000 1.086 304 L CA 0.775 55.438 54.840 -0.294 0.000 0.778 304 L CB -1.294 40.536 42.059 -0.381 0.000 0.928 304 L HN -0.072 nan 8.230 nan 0.000 0.446 305 P HA -0.148 nan 4.420 nan 0.000 0.220 305 P C 1.631 178.886 177.300 -0.074 0.000 1.148 305 P CA 1.481 64.516 63.100 -0.108 0.000 0.803 305 P CB -0.039 31.616 31.700 -0.074 0.000 0.782 306 T N -1.147 113.375 114.554 -0.053 0.000 2.777 306 T HA -0.139 4.211 4.350 -0.001 0.000 0.266 306 T C 1.605 176.325 174.700 0.034 0.000 1.040 306 T CA 0.984 63.127 62.100 0.072 0.000 1.141 306 T CB -0.693 68.195 68.868 0.034 0.000 0.868 306 T HN -0.105 nan 8.240 nan 0.000 0.444 307 L N 1.098 122.212 121.223 -0.183 0.000 2.313 307 L HA 0.334 4.673 4.340 -0.001 0.000 0.214 307 L C 2.500 179.195 176.870 -0.292 0.000 1.119 307 L CA 1.531 56.234 54.840 -0.229 0.000 0.809 307 L CB -0.649 41.135 42.059 -0.458 0.000 0.933 307 L HN 0.300 nan 8.230 nan 0.000 0.449 308 R N -2.055 118.290 120.500 -0.258 0.000 2.115 308 R HA -0.218 4.121 4.340 -0.001 0.000 0.230 308 R C 1.745 178.101 176.300 0.094 0.000 1.111 308 R CA 1.662 57.679 56.100 -0.139 0.000 0.976 308 R CB -0.522 29.720 30.300 -0.097 0.000 0.870 308 R HN 0.363 nan 8.270 nan 0.000 0.445 309 Y N -0.080 120.106 120.300 -0.189 0.000 2.500 309 Y HA 0.101 4.651 4.550 -0.000 0.000 0.270 309 Y C 1.535 177.298 175.900 -0.228 0.000 1.134 309 Y CA 0.051 57.931 58.100 -0.367 0.000 1.293 309 Y CB 0.318 38.205 38.460 -0.955 0.000 1.063 309 Y HN 0.132 nan 8.280 nan 0.000 0.534 310 L N -1.245 120.047 121.223 0.115 0.000 2.095 310 L HA -0.083 4.256 4.340 -0.001 0.000 0.204 310 L C 1.908 178.963 176.870 0.309 0.000 1.080 310 L CA 1.783 56.765 54.840 0.236 0.000 0.759 310 L CB -0.818 41.417 42.059 0.293 0.000 0.914 310 L HN 0.151 nan 8.230 nan 0.000 0.439 311 F N -0.674 119.292 119.950 0.025 0.000 2.234 311 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 311 F C 2.373 178.259 175.800 0.144 0.000 1.087 311 F CA 0.515 58.521 58.000 0.009 0.000 1.340 311 F CB -0.248 38.679 39.000 -0.122 0.000 1.031 311 F HN 0.251 nan 8.300 nan 0.000 0.500 312 A N -0.309 122.717 122.820 0.344 0.000 1.935 312 A HA -0.082 4.237 4.320 -0.001 0.000 0.214 312 A C 1.880 179.360 177.584 -0.173 0.000 1.178 312 A CA 0.793 52.884 52.037 0.090 0.000 0.640 312 A CB -0.681 18.155 19.000 -0.273 0.000 0.825 312 A HN 0.326 nan 8.150 nan 0.000 0.447 313 L N 0.672 121.745 121.223 -0.250 0.000 2.156 313 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 313 L C 2.347 179.191 176.870 -0.043 0.000 1.095 313 L CA 2.836 57.489 54.840 -0.311 0.000 0.770 313 L CB -0.927 40.914 42.059 -0.363 0.000 0.914 313 L HN 0.475 nan 8.230 nan 0.000 0.439 314 T N -4.068 110.608 114.554 0.204 0.000 3.088 314 T HA 0.250 4.600 4.350 -0.001 0.000 0.259 314 T C 1.518 176.338 174.700 0.201 0.000 1.122 314 T CA 0.573 62.911 62.100 0.397 0.000 1.095 314 T CB -0.153 68.868 68.868 0.256 0.000 0.930 314 T HN 0.321 nan 8.240 nan 0.000 0.508 315 A N 0.678 123.583 122.820 0.141 0.000 1.984 315 A HA 0.808 5.127 4.320 -0.001 0.000 0.203 315 A C 1.457 179.092 177.584 0.085 0.000 1.292 315 A CA 0.626 52.728 52.037 0.107 0.000 0.782 315 A CB -0.120 18.980 19.000 0.166 0.000 0.924 315 A HN 0.722 nan 8.150 nan 0.000 0.475 316 G N -1.595 107.234 108.800 0.048 0.000 2.791 316 G HA2 0.415 4.374 3.960 -0.001 0.000 0.158 316 G HA3 0.415 4.374 3.960 -0.001 0.000 0.158 316 G C -1.315 173.551 174.900 -0.056 0.000 1.193 316 G CA 0.471 45.578 45.100 0.012 0.000 1.032 316 G HN 0.379 nan 8.290 nan 0.000 0.557 317 V N 2.600 122.447 119.914 -0.111 0.000 2.412 317 V HA 0.281 4.401 4.120 -0.001 0.000 0.270 317 V C -1.523 174.399 176.094 -0.288 0.000 1.169 317 V CA -0.664 61.490 62.300 -0.243 0.000 1.319 317 V CB 0.651 32.326 31.823 -0.246 0.000 1.467 317 V HN 0.451 nan 8.190 nan 0.000 0.535 318 P HA 0.108 nan 4.420 nan 0.000 0.220 318 P C 0.853 178.006 177.300 -0.245 0.000 1.148 318 P CA 1.139 64.062 63.100 -0.295 0.000 0.803 318 P CB 0.344 31.818 31.700 -0.377 0.000 0.782 319 G N -2.588 106.023 108.800 -0.316 0.000 2.451 319 G HA2 0.202 4.162 3.960 -0.001 0.000 0.292 319 G HA3 0.202 4.162 3.960 -0.001 0.000 0.292 319 G C -1.880 172.787 174.900 -0.389 0.000 1.427 319 G CA -0.609 44.311 45.100 -0.300 0.000 0.792 319 G HN -0.128 nan 8.290 nan 0.000 0.498 320 H N 1.858 120.887 119.070 -0.067 0.000 2.741 320 H HA 0.223 4.779 4.556 -0.001 0.000 0.282 320 H C -0.027 175.267 175.328 -0.057 0.000 1.122 320 H CA -0.194 55.808 56.048 -0.076 0.000 1.293 320 H CB 1.125 30.862 29.762 -0.042 0.000 1.415 320 H HN 0.560 nan 8.280 nan 0.000 0.472 321 E N 2.670 122.857 120.200 -0.022 0.000 2.110 321 E HA 0.164 4.513 4.350 -0.001 0.000 0.300 321 E C -0.087 176.545 176.600 0.054 0.000 1.278 321 E CA -0.566 55.861 56.400 0.045 0.000 1.365 321 E CB -0.171 29.438 29.700 -0.151 0.000 1.283 321 E HN 0.218 nan 8.360 nan 0.000 0.490 322 V N -1.307 118.645 119.914 0.063 0.000 2.376 322 V HA 0.440 4.560 4.120 -0.001 0.000 0.287 322 V C -0.927 175.192 176.094 0.041 0.000 1.015 322 V CA -1.124 61.199 62.300 0.038 0.000 0.834 322 V CB 1.215 33.050 31.823 0.020 0.000 1.001 322 V HN -0.003 nan 8.190 nan 0.000 0.428 323 D N 3.877 124.295 120.400 0.029 0.000 2.280 323 D HA 0.337 4.977 4.640 -0.001 0.000 0.243 323 D C -0.467 175.804 176.300 -0.049 0.000 1.129 323 D CA -0.132 53.849 54.000 -0.033 0.000 0.848 323 D CB 1.111 41.854 40.800 -0.094 0.000 1.107 323 D HN 0.615 nan 8.370 nan 0.000 0.471 324 D N 4.168 124.543 120.400 -0.042 0.000 2.416 324 D HA 0.053 4.693 4.640 -0.001 0.000 0.240 324 D C 1.621 177.856 176.300 -0.107 0.000 1.250 324 D CA 0.003 53.997 54.000 -0.009 0.000 0.967 324 D CB 0.656 41.559 40.800 0.172 0.000 1.059 324 D HN 0.463 nan 8.370 nan 0.000 0.512 325 I N 1.386 121.881 120.570 -0.125 0.000 2.151 325 I HA -0.417 3.753 4.170 -0.001 0.000 0.236 325 I C 1.753 177.752 176.117 -0.197 0.000 1.000 325 I CA 1.534 62.747 61.300 -0.145 0.000 1.285 325 I CB -0.172 37.776 38.000 -0.088 0.000 0.994 325 I HN 0.290 nan 8.210 nan 0.000 0.396 326 D N -0.631 119.573 120.400 -0.326 0.000 2.271 326 D HA -0.175 4.464 4.640 -0.001 0.000 0.207 326 D C 0.962 176.724 176.300 -0.897 0.000 0.983 326 D CA 0.880 54.568 54.000 -0.520 0.000 0.878 326 D CB -0.652 39.886 40.800 -0.437 0.000 0.920 326 D HN 0.491 nan 8.370 nan 0.000 0.479 327 H N 0.681 119.167 119.070 -0.974 0.000 3.157 327 H HA -0.059 4.497 4.556 -0.001 0.000 0.299 327 H C 1.186 176.489 175.328 -0.041 0.000 0.961 327 H CA -0.094 55.756 56.048 -0.330 0.000 1.428 327 H CB 1.085 30.801 29.762 -0.078 0.000 1.459 327 H HN 0.011 nan 8.280 nan 0.000 0.566 328 L N 4.265 125.592 121.223 0.173 0.000 2.642 328 L HA -0.029 4.310 4.340 -0.001 0.000 0.236 328 L C 2.204 179.231 176.870 0.262 0.000 1.169 328 L CA 1.102 56.087 54.840 0.241 0.000 0.851 328 L CB -0.168 42.058 42.059 0.279 0.000 0.968 328 L HN 0.752 nan 8.230 nan 0.000 0.453 329 G N -1.691 107.223 108.800 0.190 0.000 3.026 329 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.208 329 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.208 329 G C 1.152 176.110 174.900 0.096 0.000 1.169 329 G CA 0.481 45.614 45.100 0.054 0.000 0.788 329 G HN 0.509 nan 8.290 nan 0.000 0.533 330 N N -1.201 117.620 118.700 0.202 0.000 2.804 330 N HA 0.137 4.876 4.740 -0.001 0.000 0.250 330 N C 0.631 176.307 175.510 0.276 0.000 1.024 330 N CA -0.552 52.600 53.050 0.170 0.000 0.995 330 N CB 0.633 39.094 38.487 -0.043 0.000 1.690 330 N HN -0.057 nan 8.380 nan 0.000 0.515 331 R N 1.930 122.556 120.500 0.210 0.000 2.316 331 R HA 0.182 4.522 4.340 -0.001 0.000 0.314 331 R C -0.387 176.025 176.300 0.186 0.000 1.069 331 R CA -0.102 56.116 56.100 0.197 0.000 0.959 331 R CB 0.828 31.212 30.300 0.139 0.000 0.987 331 R HN 0.202 nan 8.270 nan 0.000 0.446 332 R N 3.285 123.837 120.500 0.087 0.000 2.500 332 R HA 0.296 4.635 4.340 -0.001 0.000 0.277 332 R C -0.729 175.342 176.300 -0.381 0.000 1.026 332 R CA -0.693 55.289 56.100 -0.196 0.000 1.058 332 R CB 0.754 30.943 30.300 -0.186 0.000 1.078 332 R HN 0.372 nan 8.270 nan 0.000 0.509 333 I N 3.227 123.599 120.570 -0.330 0.000 2.355 333 I HA 0.329 4.499 4.170 -0.001 0.000 0.288 333 I C 0.158 176.123 176.117 -0.253 0.000 0.999 333 I CA -0.223 60.913 61.300 -0.273 0.000 1.163 333 I CB 1.584 39.491 38.000 -0.154 0.000 1.316 333 I HN 0.386 nan 8.210 nan 0.000 0.454 334 R N 4.528 124.881 120.500 -0.245 0.000 2.272 334 R HA 0.279 4.618 4.340 -0.001 0.000 0.334 334 R C 0.181 176.441 176.300 -0.066 0.000 1.117 334 R CA -0.304 55.727 56.100 -0.116 0.000 0.966 334 R CB 0.298 30.573 30.300 -0.042 0.000 1.049 334 R HN 0.735 nan 8.270 nan 0.000 0.477 335 T N -1.150 113.374 114.554 -0.051 0.000 2.856 335 T HA 0.012 4.362 4.350 -0.001 0.000 0.306 335 T C 1.823 176.521 174.700 -0.004 0.000 1.062 335 T CA -0.960 61.120 62.100 -0.032 0.000 1.083 335 T CB 0.936 69.790 68.868 -0.023 0.000 0.984 335 T HN 0.157 nan 8.240 nan 0.000 0.542 336 V N 2.975 122.884 119.914 -0.008 0.000 2.222 336 V HA -0.230 3.890 4.120 -0.001 0.000 0.252 336 V C 2.951 179.074 176.094 0.048 0.000 1.060 336 V CA 2.644 64.944 62.300 0.001 0.000 1.027 336 V CB -1.895 29.911 31.823 -0.027 0.000 0.644 336 V HN 1.186 nan 8.190 nan 0.000 0.448 337 G N -0.838 108.007 108.800 0.076 0.000 2.766 337 G HA2 -0.442 3.518 3.960 -0.001 0.000 0.222 337 G HA3 -0.442 3.518 3.960 -0.001 0.000 0.222 337 G C 1.488 176.452 174.900 0.107 0.000 1.225 337 G CA 1.467 46.648 45.100 0.136 0.000 0.784 337 G HN 0.627 nan 8.290 nan 0.000 0.631 338 E N -0.055 120.190 120.200 0.075 0.000 2.108 338 E HA -0.183 4.167 4.350 -0.001 0.000 0.203 338 E C 2.599 179.264 176.600 0.108 0.000 1.022 338 E CA 1.246 57.689 56.400 0.071 0.000 0.823 338 E CB -0.276 29.458 29.700 0.057 0.000 0.744 338 E HN 0.489 nan 8.360 nan 0.000 0.456 339 L N 0.259 121.558 121.223 0.127 0.000 2.201 339 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 339 L C 2.649 179.697 176.870 0.296 0.000 1.105 339 L CA 0.755 55.719 54.840 0.207 0.000 0.775 339 L CB -0.169 41.978 42.059 0.147 0.000 0.913 339 L HN 0.388 nan 8.230 nan 0.000 0.440 340 M N -1.451 118.292 119.600 0.240 0.000 2.357 340 M HA -0.127 4.353 4.480 -0.001 0.000 0.266 340 M C 2.274 178.659 176.300 0.141 0.000 1.095 340 M CA 1.597 57.063 55.300 0.277 0.000 1.156 340 M CB -0.305 32.501 32.600 0.343 0.000 1.365 340 M HN 0.109 nan 8.290 nan 0.000 0.447 341 T N 0.750 115.364 114.554 0.100 0.000 2.788 341 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 341 T C 1.530 176.259 174.700 0.048 0.000 1.044 341 T CA 1.889 64.014 62.100 0.041 0.000 1.139 341 T CB -0.331 68.532 68.868 -0.008 0.000 0.867 341 T HN 0.428 nan 8.240 nan 0.000 0.454 342 D N 0.172 120.595 120.400 0.039 0.000 2.084 342 D HA -0.116 4.524 4.640 -0.001 0.000 0.194 342 D C 2.167 178.392 176.300 -0.126 0.000 0.990 342 D CA 1.331 55.332 54.000 0.002 0.000 0.826 342 D CB -0.239 40.606 40.800 0.075 0.000 0.971 342 D HN 0.378 nan 8.370 nan 0.000 0.453 343 Q N -0.405 119.193 119.800 -0.337 0.000 2.170 343 Q HA -0.114 4.226 4.340 -0.001 0.000 0.203 343 Q C 2.001 177.767 176.000 -0.391 0.000 0.976 343 Q CA 1.019 56.369 55.803 -0.756 0.000 0.858 343 Q CB -0.802 26.860 28.738 -1.794 0.000 0.907 343 Q HN 0.339 nan 8.270 nan 0.000 0.433 344 F N 1.371 121.124 119.950 -0.329 0.000 2.171 344 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 344 F C 2.201 177.843 175.800 -0.263 0.000 1.090 344 F CA 1.909 59.745 58.000 -0.273 0.000 1.293 344 F CB -0.169 38.691 39.000 -0.233 0.000 1.013 344 F HN 0.188 nan 8.300 nan 0.000 0.486 345 R N -0.097 120.382 120.500 -0.035 0.000 2.153 345 R HA -0.029 4.311 4.340 -0.001 0.000 0.218 345 R C 1.700 177.898 176.300 -0.170 0.000 1.072 345 R CA 1.542 57.585 56.100 -0.095 0.000 0.990 345 R CB -1.191 29.090 30.300 -0.031 0.000 0.889 345 R HN 0.311 nan 8.270 nan 0.000 0.452 346 V N 1.488 121.288 119.914 -0.190 0.000 2.515 346 V HA -0.077 4.043 4.120 -0.001 0.000 0.250 346 V C 2.533 178.497 176.094 -0.216 0.000 1.058 346 V CA 1.956 64.149 62.300 -0.177 0.000 1.064 346 V CB -0.584 31.131 31.823 -0.179 0.000 0.675 346 V HN 0.628 nan 8.190 nan 0.000 0.461 347 G N -0.520 108.092 108.800 -0.313 0.000 2.408 347 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.215 347 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.215 347 G C 1.504 176.192 174.900 -0.354 0.000 1.156 347 G CA 0.507 45.403 45.100 -0.340 0.000 0.793 347 G HN 0.391 nan 8.290 nan 0.000 0.535 348 L N 1.366 122.334 121.223 -0.425 0.000 2.083 348 L HA 0.154 4.494 4.340 -0.001 0.000 0.209 348 L C 3.085 179.825 176.870 -0.217 0.000 1.083 348 L CA 1.786 56.412 54.840 -0.357 0.000 0.752 348 L CB -0.646 41.209 42.059 -0.341 0.000 0.899 348 L HN 0.248 nan 8.230 nan 0.000 0.433 349 A N -1.002 121.712 122.820 -0.176 0.000 1.898 349 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 349 A C 2.292 179.809 177.584 -0.111 0.000 1.181 349 A CA 1.160 53.125 52.037 -0.121 0.000 0.620 349 A CB -0.416 18.526 19.000 -0.096 0.000 0.819 349 A HN 0.324 nan 8.150 nan 0.000 0.442 350 R N -0.949 119.476 120.500 -0.125 0.000 2.120 350 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 350 R C 1.894 178.132 176.300 -0.103 0.000 1.123 350 R CA 0.931 56.968 56.100 -0.105 0.000 0.975 350 R CB -1.021 29.211 30.300 -0.112 0.000 0.866 350 R HN 0.495 nan 8.270 nan 0.000 0.446 351 L N 0.461 121.605 121.223 -0.131 0.000 2.068 351 L HA 0.117 4.457 4.340 -0.001 0.000 0.204 351 L C 2.103 178.911 176.870 -0.103 0.000 1.076 351 L CA 1.723 56.492 54.840 -0.119 0.000 0.753 351 L CB -1.142 40.825 42.059 -0.152 0.000 0.910 351 L HN 0.093 nan 8.230 nan 0.000 0.439 352 A N -0.485 122.267 122.820 -0.114 0.000 2.070 352 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 352 A C 2.474 180.015 177.584 -0.071 0.000 1.159 352 A CA 1.465 53.444 52.037 -0.097 0.000 0.656 352 A CB -0.602 18.340 19.000 -0.098 0.000 0.800 352 A HN 0.467 nan 8.150 nan 0.000 0.453 353 R N -0.407 120.052 120.500 -0.068 0.000 2.061 353 R HA -0.106 4.234 4.340 -0.001 0.000 0.230 353 R C 2.251 178.525 176.300 -0.045 0.000 1.140 353 R CA 1.729 57.797 56.100 -0.052 0.000 0.940 353 R CB -0.741 29.528 30.300 -0.052 0.000 0.839 353 R HN 0.418 nan 8.270 nan 0.000 0.429 354 G N 0.196 108.968 108.800 -0.047 0.000 2.421 354 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.217 354 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.217 354 G C 1.375 176.253 174.900 -0.036 0.000 1.143 354 G CA 0.543 45.620 45.100 -0.038 0.000 0.784 354 G HN 0.297 nan 8.290 nan 0.000 0.541 355 V N 0.493 120.380 119.914 -0.045 0.000 2.427 355 V HA -0.056 4.064 4.120 -0.001 0.000 0.248 355 V C 2.695 178.769 176.094 -0.034 0.000 1.051 355 V CA 2.260 64.535 62.300 -0.042 0.000 1.048 355 V CB -0.357 31.430 31.823 -0.059 0.000 0.666 355 V HN 0.396 nan 8.190 nan 0.000 0.456 356 R N -0.328 120.151 120.500 -0.035 0.000 2.127 356 R HA -0.168 4.172 4.340 -0.001 0.000 0.238 356 R C 2.189 178.477 176.300 -0.021 0.000 1.134 356 R CA 2.012 58.096 56.100 -0.028 0.000 0.975 356 R CB -0.182 30.101 30.300 -0.028 0.000 0.865 356 R HN 0.691 nan 8.270 nan 0.000 0.447 357 E N -0.363 119.824 120.200 -0.021 0.000 2.204 357 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 357 E C 1.766 178.359 176.600 -0.011 0.000 0.989 357 E CA 0.862 57.253 56.400 -0.015 0.000 0.824 357 E CB 0.077 29.767 29.700 -0.016 0.000 0.756 357 E HN 0.352 nan 8.360 nan 0.000 0.477 358 R N 0.155 120.648 120.500 -0.012 0.000 2.297 358 R HA 0.157 4.496 4.340 -0.001 0.000 0.197 358 R C 2.151 178.449 176.300 -0.004 0.000 0.943 358 R CA 0.092 56.188 56.100 -0.007 0.000 1.038 358 R CB -0.003 30.293 30.300 -0.008 0.000 0.957 358 R HN 0.092 nan 8.270 nan 0.000 0.484 359 M N 1.066 120.660 119.600 -0.009 0.000 2.374 359 M HA -0.037 4.442 4.480 -0.001 0.000 0.264 359 M C 1.255 177.556 176.300 0.001 0.000 1.067 359 M CA 1.791 57.086 55.300 -0.008 0.000 1.103 359 M CB 0.058 32.649 32.600 -0.015 0.000 1.402 359 M HN 0.194 nan 8.290 nan 0.000 0.444 360 L N -1.454 119.769 121.223 0.000 0.000 2.463 360 L HA 0.064 4.403 4.340 -0.001 0.000 0.219 360 L C 2.478 179.352 176.870 0.005 0.000 1.088 360 L CA 0.266 55.108 54.840 0.003 0.000 0.849 360 L CB -1.020 41.039 42.059 -0.000 0.000 1.012 360 L HN 0.259 nan 8.230 nan 0.000 0.468 361 M N 1.323 120.925 119.600 0.004 0.000 2.160 361 M HA 0.207 4.687 4.480 -0.001 0.000 0.264 361 M C 1.279 177.585 176.300 0.010 0.000 1.073 361 M CA 1.269 56.572 55.300 0.005 0.000 1.142 361 M CB -0.941 31.661 32.600 0.003 0.000 1.358 361 M HN 0.061 nan 8.290 nan 0.000 0.422 362 G N 1.814 110.623 108.800 0.014 0.000 2.254 362 G HA2 0.235 4.194 3.960 -0.001 0.000 0.253 362 G HA3 0.235 4.194 3.960 -0.001 0.000 0.253 362 G C 0.724 175.638 174.900 0.024 0.000 1.246 362 G CA 0.142 45.255 45.100 0.021 0.000 0.946 362 G HN 0.670 nan 8.290 nan 0.000 0.474 363 S N 2.659 118.371 115.700 0.020 0.000 2.482 363 S HA -0.111 4.358 4.470 -0.001 0.000 0.226 363 S C 0.974 175.589 174.600 0.026 0.000 1.048 363 S CA 1.032 59.243 58.200 0.019 0.000 1.158 363 S CB -0.202 63.006 63.200 0.014 0.000 1.130 363 S HN 0.605 nan 8.310 nan 0.000 0.413 364 E N 0.367 120.583 120.200 0.026 0.000 2.754 364 E HA 0.231 4.581 4.350 -0.001 0.000 0.224 364 E C 1.346 177.980 176.600 0.056 0.000 0.851 364 E CA -0.469 55.949 56.400 0.031 0.000 1.047 364 E CB -0.196 29.510 29.700 0.010 0.000 1.584 364 E HN 0.415 nan 8.360 nan 0.000 0.429 365 D N 0.362 120.784 120.400 0.036 0.000 2.133 365 D HA -0.137 4.503 4.640 -0.001 0.000 0.195 365 D C -0.066 176.282 176.300 0.078 0.000 0.997 365 D CA 0.889 54.909 54.000 0.033 0.000 0.840 365 D CB 0.077 40.735 40.800 -0.237 0.000 0.947 365 D HN 0.018 nan 8.370 nan 0.000 0.452 366 S N -0.137 115.578 115.700 0.026 0.000 3.024 366 S HA 0.171 4.641 4.470 -0.001 0.000 0.316 366 S C 0.387 175.021 174.600 0.056 0.000 1.197 366 S CA -0.311 57.911 58.200 0.036 0.000 1.097 366 S CB -0.251 62.955 63.200 0.011 0.000 1.471 366 S HN 0.357 nan 8.310 nan 0.000 0.543 367 L N 1.073 122.348 121.223 0.088 0.000 3.519 367 L HA 0.363 4.703 4.340 -0.001 0.000 0.323 367 L C 1.095 178.000 176.870 0.060 0.000 1.289 367 L CA -0.264 54.615 54.840 0.066 0.000 1.039 367 L CB -1.152 40.947 42.059 0.068 0.000 1.438 367 L HN 0.195 nan 8.230 nan 0.000 0.619 368 T N 0.332 114.929 114.554 0.072 0.000 2.668 368 T HA 0.033 4.382 4.350 -0.001 0.000 0.258 368 T C -0.516 174.209 174.700 0.042 0.000 1.051 368 T CA 1.726 63.863 62.100 0.063 0.000 1.155 368 T CB -1.099 67.815 68.868 0.076 0.000 0.864 368 T HN 0.359 nan 8.240 nan 0.000 0.413 369 P HA -0.058 nan 4.420 nan 0.000 0.209 369 P C 1.408 178.722 177.300 0.023 0.000 1.053 369 P CA 1.439 64.553 63.100 0.022 0.000 0.855 369 P CB -0.309 31.398 31.700 0.012 0.000 0.566 370 A N -0.758 122.075 122.820 0.021 0.000 2.067 370 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 370 A C 2.298 179.892 177.584 0.018 0.000 1.158 370 A CA 2.061 54.111 52.037 0.023 0.000 0.661 370 A CB -1.118 17.896 19.000 0.023 0.000 0.801 370 A HN 0.267 nan 8.150 nan 0.000 0.452 371 K N -1.007 119.404 120.400 0.019 0.000 2.211 371 K HA 0.036 4.356 4.320 -0.001 0.000 0.203 371 K C 1.315 177.919 176.600 0.008 0.000 1.050 371 K CA 1.084 57.380 56.287 0.015 0.000 0.945 371 K CB -0.195 32.319 32.500 0.022 0.000 0.732 371 K HN 0.364 nan 8.250 nan 0.000 0.451 372 L N -0.899 120.328 121.223 0.007 0.000 2.470 372 L HA 0.221 4.561 4.340 -0.001 0.000 0.219 372 L C -0.425 176.437 176.870 -0.013 0.000 1.071 372 L CA 0.170 55.006 54.840 -0.007 0.000 0.850 372 L CB 0.925 42.979 42.059 -0.009 0.000 1.040 372 L HN -0.213 nan 8.230 nan 0.000 0.475 373 V N 1.489 121.404 119.914 0.002 0.000 2.513 373 V HA 0.450 4.570 4.120 -0.001 0.000 0.299 373 V C -0.746 175.357 176.094 0.014 0.000 1.035 373 V CA -0.785 61.518 62.300 0.005 0.000 0.889 373 V CB 1.689 33.529 31.823 0.027 0.000 0.988 373 V HN 0.420 nan 8.190 nan 0.000 0.440 374 N N 1.918 120.620 118.700 0.004 0.000 2.519 374 N HA 0.175 4.915 4.740 -0.001 0.000 0.286 374 N C 0.028 175.540 175.510 0.002 0.000 1.079 374 N CA -0.542 52.512 53.050 0.006 0.000 0.878 374 N CB 1.970 40.452 38.487 -0.008 0.000 1.375 374 N HN 0.393 nan 8.380 nan 0.000 0.514 375 S N 1.573 117.289 115.700 0.026 0.000 2.555 375 S HA -0.074 4.395 4.470 -0.001 0.000 0.230 375 S C 1.667 176.259 174.600 -0.014 0.000 0.978 375 S CA 0.201 58.417 58.200 0.026 0.000 0.934 375 S CB -0.120 63.123 63.200 0.072 0.000 0.766 375 S HN 0.549 nan 8.310 nan 0.000 0.533 376 R N 2.567 123.054 120.500 -0.021 0.000 2.097 376 R HA -0.084 4.256 4.340 -0.001 0.000 0.236 376 R C -1.024 175.245 176.300 -0.053 0.000 1.135 376 R CA 1.944 58.024 56.100 -0.034 0.000 0.934 376 R CB -1.623 28.660 30.300 -0.028 0.000 0.846 376 R HN 0.293 nan 8.270 nan 0.000 0.431 377 P HA -0.159 nan 4.420 nan 0.000 0.213 377 P C 1.305 178.531 177.300 -0.124 0.000 1.170 377 P CA 0.914 63.959 63.100 -0.091 0.000 0.898 377 P CB -0.165 31.473 31.700 -0.103 0.000 0.787 378 L N 0.199 121.333 121.223 -0.149 0.000 1.990 378 L HA -0.232 4.107 4.340 -0.001 0.000 0.213 378 L C 2.425 179.209 176.870 -0.144 0.000 1.072 378 L CA 2.159 56.876 54.840 -0.204 0.000 0.755 378 L CB -1.530 40.410 42.059 -0.198 0.000 0.889 378 L HN -0.080 nan 8.230 nan 0.000 0.432 379 E N -0.375 119.771 120.200 -0.089 0.000 2.021 379 E HA -0.269 4.080 4.350 -0.001 0.000 0.200 379 E C 2.082 178.638 176.600 -0.073 0.000 1.015 379 E CA 2.022 58.377 56.400 -0.076 0.000 0.824 379 E CB -0.583 29.070 29.700 -0.078 0.000 0.762 379 E HN 0.533 nan 8.360 nan 0.000 0.454 380 A N 0.805 123.587 122.820 -0.063 0.000 1.940 380 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 380 A C 2.431 179.995 177.584 -0.034 0.000 1.176 380 A CA 2.411 54.424 52.037 -0.040 0.000 0.631 380 A CB -1.210 17.769 19.000 -0.035 0.000 0.814 380 A HN 0.466 nan 8.150 nan 0.000 0.446 381 A N 0.178 122.952 122.820 -0.077 0.000 1.834 381 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 381 A C 2.149 179.670 177.584 -0.104 0.000 1.203 381 A CA 1.655 53.626 52.037 -0.109 0.000 0.621 381 A CB -0.799 18.080 19.000 -0.201 0.000 0.841 381 A HN 0.482 nan 8.150 nan 0.000 0.446 382 I N -1.048 119.433 120.570 -0.147 0.000 2.127 382 I HA -0.299 3.870 4.170 -0.001 0.000 0.241 382 I C 2.724 178.819 176.117 -0.037 0.000 1.075 382 I CA 2.016 63.233 61.300 -0.140 0.000 1.334 382 I CB -0.392 37.505 38.000 -0.173 0.000 1.040 382 I HN 0.390 nan 8.210 nan 0.000 0.405 383 R N 1.491 121.969 120.500 -0.036 0.000 2.113 383 R HA -0.289 4.051 4.340 -0.001 0.000 0.244 383 R C 2.090 178.457 176.300 0.112 0.000 1.142 383 R CA 2.299 58.410 56.100 0.018 0.000 0.953 383 R CB -0.506 29.792 30.300 -0.003 0.000 0.860 383 R HN 0.377 nan 8.270 nan 0.000 0.438 384 E N -0.924 119.351 120.200 0.124 0.000 2.153 384 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 384 E C 1.562 178.333 176.600 0.284 0.000 0.988 384 E CA 1.423 57.925 56.400 0.170 0.000 0.811 384 E CB -0.335 29.462 29.700 0.161 0.000 0.746 384 E HN 0.408 nan 8.360 nan 0.000 0.466 385 F N -0.722 119.289 119.950 0.101 0.000 2.163 385 F HA -0.001 4.526 4.527 -0.001 0.000 0.297 385 F C 1.655 177.592 175.800 0.228 0.000 1.094 385 F CA 0.842 58.939 58.000 0.162 0.000 1.290 385 F CB -0.318 38.821 39.000 0.231 0.000 1.017 385 F HN 0.097 nan 8.300 nan 0.000 0.483 386 F N -0.500 119.504 119.950 0.090 0.000 2.615 386 F HA -0.035 4.491 4.527 -0.000 0.000 0.297 386 F C 2.348 178.115 175.800 -0.054 0.000 1.124 386 F CA 0.789 58.754 58.000 -0.060 0.000 1.451 386 F CB -0.892 38.040 39.000 -0.113 0.000 1.103 386 F HN -0.120 nan 8.300 nan 0.000 0.569 387 S N -1.289 114.509 115.700 0.163 0.000 2.514 387 S HA 0.146 4.616 4.470 -0.001 0.000 0.223 387 S C 1.571 176.192 174.600 0.035 0.000 1.046 387 S CA -0.077 58.173 58.200 0.083 0.000 0.914 387 S CB 0.361 63.610 63.200 0.081 0.000 0.807 387 S HN 0.160 nan 8.310 nan 0.000 0.497 388 R N 1.210 121.728 120.500 0.031 0.000 2.487 388 R HA 0.400 4.740 4.340 -0.001 0.000 0.272 388 R C -0.133 176.130 176.300 -0.063 0.000 0.928 388 R CA 0.016 56.111 56.100 -0.008 0.000 1.077 388 R CB 0.479 30.785 30.300 0.010 0.000 1.265 388 R HN 0.087 nan 8.270 nan 0.000 0.537 389 S N 2.020 117.650 115.700 -0.117 0.000 2.552 389 S HA -0.048 4.422 4.470 -0.001 0.000 0.289 389 S C 0.858 175.348 174.600 -0.185 0.000 1.304 389 S CA 0.041 58.086 58.200 -0.258 0.000 1.063 389 S CB 0.765 63.676 63.200 -0.481 0.000 0.848 389 S HN 0.279 nan 8.310 nan 0.000 0.499 390 Q N 1.596 121.295 119.800 -0.170 0.000 2.561 390 Q HA -0.048 4.292 4.340 -0.001 0.000 0.217 390 Q C 1.510 177.445 176.000 -0.109 0.000 0.980 390 Q CA 0.511 56.247 55.803 -0.111 0.000 0.927 390 Q CB -0.297 28.387 28.738 -0.090 0.000 0.980 390 Q HN 0.687 nan 8.270 nan 0.000 0.525 391 L N -0.634 120.498 121.223 -0.152 0.000 2.470 391 L HA 0.172 4.512 4.340 -0.001 0.000 0.219 391 L C 0.230 177.015 176.870 -0.141 0.000 1.071 391 L CA 0.126 54.880 54.840 -0.144 0.000 0.850 391 L CB 0.718 42.670 42.059 -0.178 0.000 1.040 391 L HN -0.110 nan 8.230 nan 0.000 0.475 392 S N 0.782 116.390 115.700 -0.153 0.000 2.489 392 S HA 0.465 4.935 4.470 -0.001 0.000 0.277 392 S C -0.579 174.003 174.600 -0.031 0.000 1.230 392 S CA -0.453 57.668 58.200 -0.131 0.000 1.053 392 S CB 1.522 64.601 63.200 -0.201 0.000 0.955 392 S HN 0.322 nan 8.310 nan 0.000 0.488 393 Q N 0.574 120.392 119.800 0.029 0.000 2.892 393 Q HA 0.493 4.833 4.340 -0.001 0.000 0.307 393 Q C -1.040 175.145 176.000 0.308 0.000 1.039 393 Q CA -0.789 55.105 55.803 0.153 0.000 0.792 393 Q CB 1.300 30.144 28.738 0.177 0.000 1.504 393 Q HN 0.657 nan 8.270 nan 0.000 0.487 394 F N 1.734 121.754 119.950 0.117 0.000 2.543 394 F HA 0.077 4.604 4.527 -0.001 0.000 0.375 394 F C 0.683 176.595 175.800 0.187 0.000 1.075 394 F CA -0.065 58.002 58.000 0.111 0.000 1.225 394 F CB 0.519 39.557 39.000 0.063 0.000 1.099 394 F HN 0.236 nan 8.300 nan 0.000 0.561 395 K N 4.429 124.852 120.400 0.037 0.000 2.453 395 K HA -0.108 4.211 4.320 -0.001 0.000 0.280 395 K C -0.256 176.344 176.600 -0.000 0.000 1.045 395 K CA -0.251 56.094 56.287 0.096 0.000 1.059 395 K CB 0.226 32.700 32.500 -0.043 0.000 0.901 395 K HN 0.482 nan 8.250 nan 0.000 0.475 396 D N 5.058 125.447 120.400 -0.019 0.000 2.455 396 D HA 0.002 4.641 4.640 -0.001 0.000 0.234 396 D C -0.789 175.444 176.300 -0.111 0.000 1.224 396 D CA -0.023 53.863 54.000 -0.191 0.000 0.999 396 D CB 0.286 40.812 40.800 -0.457 0.000 1.072 396 D HN 0.433 nan 8.370 nan 0.000 0.514 397 E N 0.906 121.034 120.200 -0.120 0.000 2.698 397 E HA 0.141 4.491 4.350 -0.001 0.000 0.242 397 E C 1.253 177.775 176.600 -0.131 0.000 1.243 397 E CA -0.344 55.993 56.400 -0.105 0.000 1.483 397 E CB 0.432 30.073 29.700 -0.099 0.000 1.495 397 E HN 0.128 nan 8.360 nan 0.000 0.440 398 T N -0.300 114.165 114.554 -0.149 0.000 2.720 398 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 398 T C 0.542 175.187 174.700 -0.093 0.000 1.037 398 T CA 1.549 63.544 62.100 -0.176 0.000 1.144 398 T CB -0.712 68.076 68.868 -0.132 0.000 0.864 398 T HN 0.598 nan 8.240 nan 0.000 0.444 399 N N -0.319 118.345 118.700 -0.059 0.000 2.371 399 N HA 0.379 5.118 4.740 -0.001 0.000 0.280 399 N C -3.024 172.467 175.510 -0.031 0.000 1.084 399 N CA -1.952 51.080 53.050 -0.031 0.000 0.892 399 N CB 1.896 40.380 38.487 -0.005 0.000 1.653 399 N HN -0.306 nan 8.380 nan 0.000 0.480 400 P HA -0.299 nan 4.420 nan 0.000 0.222 400 P C 1.517 178.803 177.300 -0.024 0.000 1.155 400 P CA 1.024 64.105 63.100 -0.032 0.000 0.890 400 P CB 0.140 31.822 31.700 -0.030 0.000 0.790 401 L N -0.683 120.531 121.223 -0.015 0.000 2.021 401 L HA -0.234 4.106 4.340 -0.001 0.000 0.215 401 L C 2.065 178.932 176.870 -0.006 0.000 1.074 401 L CA 2.323 57.157 54.840 -0.009 0.000 0.760 401 L CB -1.620 40.440 42.059 0.001 0.000 0.889 401 L HN -0.117 nan 8.230 nan 0.000 0.433 402 S N 0.116 115.810 115.700 -0.010 0.000 2.368 402 S HA -0.279 4.191 4.470 -0.001 0.000 0.226 402 S C 2.067 176.668 174.600 0.002 0.000 1.044 402 S CA 2.103 60.294 58.200 -0.016 0.000 1.062 402 S CB -0.932 62.241 63.200 -0.045 0.000 0.931 402 S HN 0.872 nan 8.310 nan 0.000 0.440 403 S N 1.885 117.584 115.700 -0.003 0.000 2.356 403 S HA -0.080 4.389 4.470 -0.001 0.000 0.223 403 S C 1.826 176.450 174.600 0.040 0.000 1.032 403 S CA 1.086 59.305 58.200 0.032 0.000 1.005 403 S CB -0.781 62.414 63.200 -0.009 0.000 0.867 403 S HN 0.243 nan 8.310 nan 0.000 0.449 404 L N 2.947 124.172 121.223 0.002 0.000 2.043 404 L HA -0.097 4.243 4.340 -0.001 0.000 0.212 404 L C 2.915 179.788 176.870 0.005 0.000 1.075 404 L CA 2.077 56.910 54.840 -0.012 0.000 0.752 404 L CB -1.140 40.903 42.059 -0.028 0.000 0.891 404 L HN 0.507 nan 8.230 nan 0.000 0.432 405 R N -1.062 119.454 120.500 0.026 0.000 2.066 405 R HA -0.228 4.111 4.340 -0.001 0.000 0.232 405 R C 2.305 178.654 176.300 0.081 0.000 1.131 405 R CA 1.979 58.102 56.100 0.039 0.000 0.955 405 R CB -1.212 29.110 30.300 0.037 0.000 0.851 405 R HN 0.607 nan 8.270 nan 0.000 0.432 406 H N 0.347 119.406 119.070 -0.020 0.000 2.460 406 H HA -0.092 4.464 4.556 -0.001 0.000 0.297 406 H C 1.407 176.721 175.328 -0.023 0.000 1.103 406 H CA 1.634 57.673 56.048 -0.015 0.000 1.292 406 H CB 0.333 30.089 29.762 -0.010 0.000 1.376 406 H HN 0.238 nan 8.280 nan 0.000 0.531 407 K N 0.005 120.400 120.400 -0.008 0.000 2.243 407 K HA -0.027 4.292 4.320 -0.001 0.000 0.201 407 K C 2.149 178.704 176.600 -0.074 0.000 1.051 407 K CA 0.658 56.896 56.287 -0.083 0.000 0.970 407 K CB 0.265 32.725 32.500 -0.067 0.000 0.755 407 K HN 0.244 nan 8.250 nan 0.000 0.465 408 R N 1.610 122.084 120.500 -0.044 0.000 2.393 408 R HA 0.073 4.413 4.340 -0.001 0.000 0.244 408 R C -0.602 175.674 176.300 -0.040 0.000 0.920 408 R CA -0.218 55.854 56.100 -0.046 0.000 1.076 408 R CB 0.212 30.489 30.300 -0.038 0.000 1.119 408 R HN 0.011 nan 8.270 nan 0.000 0.524 409 R N 1.160 121.641 120.500 -0.031 0.000 2.347 409 R HA 0.308 4.648 4.340 -0.001 0.000 0.304 409 R C -0.353 175.920 176.300 -0.046 0.000 1.072 409 R CA -0.412 55.673 56.100 -0.025 0.000 0.980 409 R CB 0.757 31.065 30.300 0.013 0.000 0.986 409 R HN 0.020 nan 8.270 nan 0.000 0.448 410 I N 2.537 123.074 120.570 -0.055 0.000 2.416 410 I HA 0.065 4.234 4.170 -0.001 0.000 0.288 410 I C 0.374 176.462 176.117 -0.048 0.000 1.051 410 I CA -0.007 61.252 61.300 -0.067 0.000 1.375 410 I CB 1.521 39.462 38.000 -0.099 0.000 1.407 410 I HN 0.763 nan 8.210 nan 0.000 0.516 411 S N 4.591 120.265 115.700 -0.044 0.000 2.566 411 S HA 0.736 5.205 4.470 -0.001 0.000 0.298 411 S C 0.288 174.881 174.600 -0.013 0.000 1.083 411 S CA -0.038 58.148 58.200 -0.024 0.000 0.978 411 S CB 2.022 65.204 63.200 -0.031 0.000 1.073 411 S HN 0.685 nan 8.310 nan 0.000 0.491 412 A N 2.512 125.339 122.820 0.011 0.000 1.963 412 A HA 0.427 4.747 4.320 -0.001 0.000 0.211 412 A C 0.471 178.073 177.584 0.030 0.000 1.380 412 A CA 0.415 52.471 52.037 0.032 0.000 0.690 412 A CB -1.290 17.741 19.000 0.052 0.000 1.060 412 A HN 0.972 nan 8.150 nan 0.000 0.498 413 L N -1.462 119.774 121.223 0.021 0.000 2.536 413 L HA 0.489 4.829 4.340 -0.001 0.000 0.294 413 L C 0.690 177.557 176.870 -0.004 0.000 1.257 413 L CA 0.652 55.498 54.840 0.011 0.000 0.850 413 L CB -1.176 40.885 42.059 0.003 0.000 1.105 413 L HN 0.668 nan 8.230 nan 0.000 0.517 414 G N 0.467 109.260 108.800 -0.012 0.000 2.600 414 G HA2 0.228 4.188 3.960 -0.001 0.000 0.072 414 G HA3 0.228 4.188 3.960 -0.001 0.000 0.072 414 G C -2.058 172.811 174.900 -0.052 0.000 1.051 414 G CA 0.213 45.290 45.100 -0.039 0.000 1.230 414 G HN 0.425 nan 8.290 nan 0.000 0.547 415 P HA -0.003 nan 4.420 nan 0.000 0.218 415 P C 1.516 178.811 177.300 -0.008 0.000 1.150 415 P CA 3.357 66.438 63.100 -0.031 0.000 0.841 415 P CB -0.079 31.650 31.700 0.048 0.000 0.784 416 G N -3.045 105.759 108.800 0.007 0.000 2.279 416 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.223 416 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.223 416 G C 1.327 176.247 174.900 0.033 0.000 1.015 416 G CA 0.238 45.346 45.100 0.013 0.000 0.621 416 G HN 0.544 nan 8.290 nan 0.000 0.506 417 G N 0.483 109.314 108.800 0.051 0.000 2.402 417 G HA2 0.252 4.212 3.960 -0.001 0.000 0.216 417 G HA3 0.252 4.212 3.960 -0.001 0.000 0.216 417 G C 1.623 176.573 174.900 0.083 0.000 1.162 417 G CA 1.601 46.743 45.100 0.071 0.000 0.777 417 G HN 0.540 nan 8.290 nan 0.000 0.539 418 L N 0.094 121.370 121.223 0.089 0.000 1.913 418 L HA 0.253 4.593 4.340 -0.001 0.000 0.215 418 L C 1.520 178.442 176.870 0.086 0.000 1.117 418 L CA 1.565 56.471 54.840 0.110 0.000 0.798 418 L CB -0.783 41.363 42.059 0.144 0.000 0.893 418 L HN 0.154 nan 8.230 nan 0.000 0.440 419 T N -0.234 114.366 114.554 0.076 0.000 2.863 419 T HA 0.527 4.877 4.350 -0.001 0.000 0.285 419 T C -0.132 174.591 174.700 0.039 0.000 1.009 419 T CA -0.736 61.400 62.100 0.058 0.000 0.989 419 T CB 1.049 69.959 68.868 0.070 0.000 1.004 419 T HN 0.121 nan 8.240 nan 0.000 0.455 420 R N 1.891 122.408 120.500 0.030 0.000 2.527 420 R HA 0.403 4.743 4.340 -0.001 0.000 0.243 420 R C 0.860 177.173 176.300 0.022 0.000 1.206 420 R CA -0.647 55.465 56.100 0.020 0.000 1.134 420 R CB 0.535 30.842 30.300 0.012 0.000 1.347 420 R HN 0.738 nan 8.270 nan 0.000 0.580 421 E N 0.285 120.494 120.200 0.015 0.000 2.140 421 E HA -0.017 4.333 4.350 -0.001 0.000 0.191 421 E C 0.801 177.410 176.600 0.016 0.000 0.973 421 E CA 0.856 57.266 56.400 0.016 0.000 0.829 421 E CB 0.343 30.049 29.700 0.009 0.000 0.781 421 E HN 0.160 nan 8.360 nan 0.000 0.466 422 R N -0.113 120.393 120.500 0.010 0.000 2.752 422 R HA 0.408 4.748 4.340 -0.001 0.000 0.279 422 R C -1.208 175.100 176.300 0.014 0.000 1.212 422 R CA 0.324 56.428 56.100 0.007 0.000 1.169 422 R CB 0.763 31.062 30.300 -0.001 0.000 1.286 422 R HN 0.038 nan 8.270 nan 0.000 0.564 423 A N -0.656 122.180 122.820 0.027 0.000 2.457 423 A HA 0.629 4.949 4.320 -0.001 0.000 0.283 423 A C 0.238 177.860 177.584 0.062 0.000 1.166 423 A CA -0.316 51.744 52.037 0.038 0.000 0.740 423 A CB 1.143 20.160 19.000 0.028 0.000 1.181 423 A HN 0.251 nan 8.150 nan 0.000 0.446 424 G N 0.629 109.486 108.800 0.094 0.000 4.495 424 G HA2 0.006 3.966 3.960 -0.001 0.000 0.223 424 G HA3 0.006 3.966 3.960 -0.001 0.000 0.223 424 G C 0.549 175.574 174.900 0.208 0.000 0.843 424 G CA 0.218 45.392 45.100 0.124 0.000 1.235 424 G HN 0.674 nan 8.290 nan 0.000 0.745 425 F N 1.364 121.330 119.950 0.027 0.000 2.250 425 F HA -0.113 4.414 4.527 -0.001 0.000 0.301 425 F C 2.423 178.243 175.800 0.033 0.000 1.077 425 F CA 1.699 59.716 58.000 0.028 0.000 1.348 425 F CB 0.410 39.424 39.000 0.024 0.000 1.040 425 F HN 0.370 nan 8.300 nan 0.000 0.509 426 D N -0.383 120.068 120.400 0.085 0.000 2.249 426 D HA -0.109 4.531 4.640 -0.001 0.000 0.205 426 D C 1.911 178.217 176.300 0.009 0.000 0.962 426 D CA 1.054 55.035 54.000 -0.032 0.000 0.860 426 D CB -0.472 40.324 40.800 -0.007 0.000 0.955 426 D HN 0.264 nan 8.370 nan 0.000 0.505 427 V N 1.038 120.992 119.914 0.068 0.000 2.407 427 V HA -0.093 4.026 4.120 -0.001 0.000 0.245 427 V C 2.751 178.913 176.094 0.114 0.000 1.041 427 V CA 1.238 63.590 62.300 0.086 0.000 1.040 427 V CB -0.558 31.323 31.823 0.097 0.000 0.671 427 V HN 0.074 nan 8.190 nan 0.000 0.455 428 R N 0.397 120.976 120.500 0.131 0.000 2.091 428 R HA -0.088 4.252 4.340 -0.001 0.000 0.238 428 R C 0.573 176.951 176.300 0.130 0.000 1.136 428 R CA 1.018 57.207 56.100 0.149 0.000 0.959 428 R CB -0.446 29.976 30.300 0.203 0.000 0.856 428 R HN 0.507 nan 8.270 nan 0.000 0.437 429 D N 0.381 120.822 120.400 0.069 0.000 2.390 429 D HA -0.034 4.606 4.640 -0.001 0.000 0.236 429 D C -0.350 175.970 176.300 0.033 0.000 1.189 429 D CA 0.103 54.109 54.000 0.011 0.000 0.887 429 D CB 0.842 41.576 40.800 -0.110 0.000 1.198 429 D HN -0.157 nan 8.370 nan 0.000 0.444 430 V N 2.767 122.694 119.914 0.022 0.000 2.356 430 V HA 0.041 4.161 4.120 -0.001 0.000 0.258 430 V C -0.098 175.887 176.094 -0.181 0.000 1.065 430 V CA -0.260 62.063 62.300 0.039 0.000 0.935 430 V CB -0.224 31.659 31.823 0.100 0.000 1.061 430 V HN 0.480 nan 8.190 nan 0.000 0.484 431 H N 6.229 124.925 119.070 -0.623 0.000 2.679 431 H HA 0.336 4.892 4.556 -0.001 0.000 0.369 431 H C 1.479 176.615 175.328 -0.320 0.000 1.178 431 H CA 0.154 55.918 56.048 -0.474 0.000 1.419 431 H CB 0.828 30.278 29.762 -0.520 0.000 1.458 431 H HN 0.632 nan 8.280 nan 0.000 0.605 432 R N 1.226 120.914 120.500 -1.353 0.000 2.136 432 R HA -0.147 4.193 4.340 -0.001 0.000 0.242 432 R C 1.825 177.970 176.300 -0.257 0.000 1.131 432 R CA 2.302 57.933 56.100 -0.782 0.000 0.937 432 R CB -1.280 28.449 30.300 -0.953 0.000 0.863 432 R HN 0.773 nan 8.270 nan 0.000 0.435 433 T N -0.331 114.187 114.554 -0.060 0.000 3.098 433 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 433 T C 1.314 176.192 174.700 0.296 0.000 1.145 433 T CA 0.624 62.822 62.100 0.163 0.000 1.092 433 T CB -0.397 68.581 68.868 0.183 0.000 0.908 433 T HN 0.501 nan 8.240 nan 0.000 0.526 434 H N -0.254 118.910 119.070 0.158 0.000 2.568 434 H HA -0.003 4.552 4.556 -0.000 0.000 0.281 434 H C 0.314 175.772 175.328 0.217 0.000 1.028 434 H CA -0.361 55.779 56.048 0.153 0.000 1.199 434 H CB -0.090 29.735 29.762 0.105 0.000 1.352 434 H HN 0.236 nan 8.280 nan 0.000 0.605 435 Y N 1.537 121.949 120.300 0.187 0.000 2.650 435 Y HA 0.044 4.593 4.550 -0.000 0.000 0.331 435 Y C 1.373 177.353 175.900 0.134 0.000 1.165 435 Y CA 0.279 58.477 58.100 0.163 0.000 1.473 435 Y CB -0.289 38.268 38.460 0.160 0.000 1.224 435 Y HN 0.421 nan 8.280 nan 0.000 0.533 436 G N 5.645 114.736 108.800 0.486 0.000 2.244 436 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.274 436 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.274 436 G C 1.093 176.068 174.900 0.125 0.000 1.002 436 G CA 1.062 46.281 45.100 0.199 0.000 0.740 436 G HN 0.724 nan 8.290 nan 0.000 0.516 437 R N -1.460 119.128 120.500 0.146 0.000 2.492 437 R HA 0.541 4.880 4.340 -0.001 0.000 0.219 437 R C 0.582 176.899 176.300 0.028 0.000 0.886 437 R CA 0.271 56.423 56.100 0.086 0.000 1.003 437 R CB 1.017 31.389 30.300 0.119 0.000 1.345 437 R HN 0.412 nan 8.270 nan 0.000 0.631 438 I N 0.254 120.841 120.570 0.028 0.000 2.649 438 I HA 0.147 4.316 4.170 -0.001 0.000 0.289 438 I C -0.771 175.347 176.117 0.001 0.000 1.222 438 I CA -0.982 60.270 61.300 -0.081 0.000 1.046 438 I CB 2.424 40.172 38.000 -0.420 0.000 1.272 438 I HN 0.084 nan 8.210 nan 0.000 0.425 439 C N 8.571 127.867 119.300 -0.007 0.000 2.657 439 C HA 0.236 4.695 4.460 -0.001 0.000 0.420 439 C C -1.025 173.944 174.990 -0.036 0.000 1.323 439 C CA -0.727 58.288 59.018 -0.006 0.000 1.894 439 C CB 0.391 28.120 27.740 -0.018 0.000 2.681 439 C HN 0.633 nan 8.230 nan 0.000 0.613 440 P HA 0.071 nan 4.420 nan 0.000 0.267 440 P C 0.874 178.113 177.300 -0.102 0.000 1.289 440 P CA 0.699 63.763 63.100 -0.060 0.000 0.866 440 P CB 0.353 32.010 31.700 -0.072 0.000 1.309 441 V N 0.021 119.839 119.914 -0.159 0.000 3.048 441 V HA 0.043 4.162 4.120 -0.001 0.000 0.241 441 V C 2.428 178.486 176.094 -0.061 0.000 1.129 441 V CA 0.905 63.127 62.300 -0.129 0.000 1.128 441 V CB -0.429 31.269 31.823 -0.208 0.000 0.849 441 V HN -0.008 nan 8.190 nan 0.000 0.475 442 E N 1.178 121.347 120.200 -0.051 0.000 2.393 442 E HA -0.166 4.184 4.350 -0.001 0.000 0.201 442 E C 0.969 177.568 176.600 -0.002 0.000 1.025 442 E CA 0.984 57.375 56.400 -0.016 0.000 0.856 442 E CB -0.318 29.376 29.700 -0.009 0.000 0.771 442 E HN 0.743 nan 8.360 nan 0.000 0.526 443 T N 0.388 114.940 114.554 -0.003 0.000 2.758 443 T HA 0.091 4.441 4.350 -0.001 0.000 0.281 443 T C -2.404 172.307 174.700 0.018 0.000 0.963 443 T CA -1.546 60.562 62.100 0.013 0.000 1.201 443 T CB 0.613 69.495 68.868 0.023 0.000 0.906 443 T HN -0.129 nan 8.240 nan 0.000 0.528 444 P HA 0.163 nan 4.420 nan 0.000 0.265 444 P C 0.059 177.374 177.300 0.026 0.000 1.193 444 P CA -0.202 62.914 63.100 0.027 0.000 0.765 444 P CB 0.423 32.142 31.700 0.032 0.000 0.823 445 E N 1.963 122.177 120.200 0.024 0.000 2.366 445 E HA 0.491 4.840 4.350 -0.001 0.000 0.266 445 E C 0.396 177.010 176.600 0.022 0.000 1.051 445 E CA 0.334 56.749 56.400 0.024 0.000 0.884 445 E CB 0.125 29.839 29.700 0.023 0.000 1.006 445 E HN 0.669 nan 8.360 nan 0.000 0.417 446 G N 1.462 110.275 108.800 0.020 0.000 2.353 446 G HA2 0.170 4.130 3.960 -0.001 0.000 0.424 446 G HA3 0.170 4.130 3.960 -0.001 0.000 0.424 446 G C 0.395 175.304 174.900 0.015 0.000 1.320 446 G CA -0.110 44.999 45.100 0.016 0.000 0.995 446 G HN 0.721 nan 8.290 nan 0.000 0.580 447 A N 0.059 122.885 122.820 0.010 0.000 1.869 447 A HA -0.062 4.258 4.320 -0.001 0.000 0.218 447 A C 1.355 178.948 177.584 0.015 0.000 1.203 447 A CA 2.295 54.337 52.037 0.008 0.000 0.638 447 A CB -0.819 18.183 19.000 0.004 0.000 0.831 447 A HN 1.122 nan 8.150 nan 0.000 0.450 448 N N -0.168 118.542 118.700 0.017 0.000 2.406 448 N HA 0.479 5.219 4.740 -0.001 0.000 0.269 448 N C -0.671 174.856 175.510 0.029 0.000 1.210 448 N CA 0.420 53.483 53.050 0.022 0.000 0.966 448 N CB 0.488 38.988 38.487 0.021 0.000 1.293 448 N HN 0.556 nan 8.380 nan 0.000 0.491 449 I N -0.653 119.938 120.570 0.035 0.000 2.994 449 I HA 0.547 4.717 4.170 -0.001 0.000 0.306 449 I C 1.094 177.244 176.117 0.056 0.000 1.195 449 I CA -0.363 60.963 61.300 0.042 0.000 1.001 449 I CB 1.610 39.635 38.000 0.041 0.000 1.244 449 I HN 0.552 nan 8.210 nan 0.000 0.437 450 G N 4.429 113.265 108.800 0.059 0.000 2.530 450 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.247 450 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.247 450 G C 0.745 175.690 174.900 0.075 0.000 1.067 450 G CA 1.015 46.162 45.100 0.078 0.000 0.650 450 G HN 0.566 nan 8.290 nan 0.000 0.531 451 L N -0.389 120.870 121.223 0.061 0.000 2.291 451 L HA 0.342 4.682 4.340 -0.001 0.000 0.214 451 L C 0.788 177.675 176.870 0.028 0.000 1.120 451 L CA 0.565 55.435 54.840 0.050 0.000 0.799 451 L CB -0.001 42.084 42.059 0.043 0.000 0.925 451 L HN 0.238 nan 8.230 nan 0.000 0.446 452 I N -0.808 119.776 120.570 0.024 0.000 2.418 452 I HA 0.378 4.548 4.170 -0.001 0.000 0.287 452 I C -0.138 175.982 176.117 0.004 0.000 1.008 452 I CA -0.049 61.257 61.300 0.011 0.000 1.104 452 I CB 2.036 40.049 38.000 0.022 0.000 1.264 452 I HN -0.216 nan 8.210 nan 0.000 0.438 453 T N 4.106 118.649 114.554 -0.018 0.000 3.705 453 T HA 0.383 4.733 4.350 -0.001 0.000 0.342 453 T C -0.423 174.252 174.700 -0.042 0.000 1.043 453 T CA -0.459 61.624 62.100 -0.029 0.000 1.071 453 T CB 0.506 69.346 68.868 -0.048 0.000 1.124 453 T HN 0.421 nan 8.240 nan 0.000 0.467 454 S N 3.643 119.331 115.700 -0.020 0.000 2.569 454 S HA 0.382 4.851 4.470 -0.001 0.000 0.274 454 S C 0.874 175.460 174.600 -0.023 0.000 1.353 454 S CA -0.441 57.749 58.200 -0.018 0.000 1.023 454 S CB -0.143 63.058 63.200 0.001 0.000 0.876 454 S HN 0.733 nan 8.310 nan 0.000 0.540 455 L N 0.966 122.176 121.223 -0.022 0.000 2.490 455 L HA 0.784 5.124 4.340 -0.001 0.000 0.245 455 L C 0.609 177.495 176.870 0.028 0.000 1.185 455 L CA -0.942 53.892 54.840 -0.009 0.000 0.813 455 L CB -0.159 41.888 42.059 -0.020 0.000 1.233 455 L HN 0.596 nan 8.230 nan 0.000 0.489 456 A N -0.283 122.575 122.820 0.063 0.000 2.249 456 A HA 0.700 5.020 4.320 -0.001 0.000 0.281 456 A C 1.323 178.946 177.584 0.065 0.000 1.127 456 A CA 0.072 52.178 52.037 0.115 0.000 0.833 456 A CB -0.012 19.101 19.000 0.188 0.000 1.140 456 A HN 1.031 nan 8.150 nan 0.000 0.502 457 A N -0.779 122.086 122.820 0.075 0.000 1.849 457 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 457 A C 1.651 179.125 177.584 -0.183 0.000 1.225 457 A CA 2.215 54.202 52.037 -0.083 0.000 0.653 457 A CB -1.332 17.630 19.000 -0.063 0.000 0.844 457 A HN 0.870 nan 8.150 nan 0.000 0.453 458 Y N 0.211 120.550 120.300 0.064 0.000 2.529 458 Y HA 0.451 5.000 4.550 -0.001 0.000 0.290 458 Y C 1.559 177.514 175.900 0.091 0.000 1.177 458 Y CA -0.343 57.812 58.100 0.092 0.000 1.305 458 Y CB -0.700 37.835 38.460 0.124 0.000 1.047 458 Y HN 0.375 nan 8.280 nan 0.000 0.522 459 A N 2.378 125.289 122.820 0.152 0.000 2.584 459 A HA 0.238 4.558 4.320 -0.001 0.000 0.239 459 A C 0.385 177.941 177.584 -0.046 0.000 1.043 459 A CA 0.139 52.217 52.037 0.067 0.000 0.756 459 A CB -0.209 18.816 19.000 0.042 0.000 0.963 459 A HN 0.547 nan 8.150 nan 0.000 0.511 460 R N 1.548 121.959 120.500 -0.148 0.000 2.535 460 R HA 0.482 4.822 4.340 -0.001 0.000 0.274 460 R C -1.706 174.472 176.300 -0.203 0.000 1.090 460 R CA -0.970 54.988 56.100 -0.238 0.000 0.930 460 R CB 0.847 30.891 30.300 -0.426 0.000 1.223 460 R HN 0.252 nan 8.270 nan 0.000 0.441 461 V N 4.391 124.226 119.914 -0.132 0.000 2.450 461 V HA -0.070 4.049 4.120 -0.001 0.000 0.281 461 V C 1.007 177.041 176.094 -0.101 0.000 1.019 461 V CA 0.183 62.428 62.300 -0.091 0.000 1.062 461 V CB -0.054 31.723 31.823 -0.078 0.000 0.979 461 V HN 0.905 nan 8.190 nan 0.000 0.477 462 D N 4.893 125.251 120.400 -0.069 0.000 1.711 462 D HA -0.100 4.540 4.640 -0.001 0.000 0.300 462 D C 1.181 177.460 176.300 -0.035 0.000 1.097 462 D CA 0.760 54.728 54.000 -0.053 0.000 0.964 462 D CB 0.312 41.114 40.800 0.004 0.000 1.518 462 D HN 0.445 nan 8.370 nan 0.000 0.541 463 E N -1.060 119.135 120.200 -0.008 0.000 2.206 463 E HA 0.226 4.576 4.350 -0.001 0.000 0.195 463 E C 0.134 176.724 176.600 -0.016 0.000 0.935 463 E CA -0.131 56.264 56.400 -0.008 0.000 0.875 463 E CB 0.461 30.163 29.700 0.003 0.000 0.841 463 E HN 0.171 nan 8.360 nan 0.000 0.477 464 L N 0.338 121.550 121.223 -0.018 0.000 2.372 464 L HA 0.424 4.764 4.340 -0.001 0.000 0.273 464 L C 0.524 177.240 176.870 -0.257 0.000 0.989 464 L CA -0.316 54.467 54.840 -0.096 0.000 0.841 464 L CB 1.658 43.683 42.059 -0.056 0.000 1.225 464 L HN 0.171 nan 8.230 nan 0.000 0.414 465 G N 3.751 112.390 108.800 -0.268 0.000 2.228 465 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.291 465 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.291 465 G C -0.079 174.585 174.900 -0.394 0.000 0.727 465 G CA 0.579 45.494 45.100 -0.309 0.000 0.835 465 G HN 0.310 nan 8.290 nan 0.000 0.470 466 F N -0.104 119.837 119.950 -0.016 0.000 2.325 466 F HA 0.405 4.932 4.527 -0.000 0.000 0.369 466 F C 0.903 176.699 175.800 -0.007 0.000 1.095 466 F CA -2.015 55.986 58.000 0.002 0.000 1.082 466 F CB 0.885 39.881 39.000 -0.007 0.000 1.289 466 F HN 0.013 nan 8.300 nan 0.000 0.462 467 I N 4.744 125.420 120.570 0.177 0.000 2.691 467 I HA 0.012 4.182 4.170 -0.001 0.000 0.288 467 I C 0.663 176.846 176.117 0.109 0.000 1.143 467 I CA 0.349 61.706 61.300 0.094 0.000 1.364 467 I CB -0.269 37.770 38.000 0.066 0.000 1.435 467 I HN 0.411 nan 8.210 nan 0.000 0.551 468 R N 3.998 124.548 120.500 0.082 0.000 2.441 468 R HA 0.408 4.748 4.340 -0.001 0.000 0.284 468 R C 0.086 176.473 176.300 0.145 0.000 1.070 468 R CA -0.342 55.822 56.100 0.106 0.000 1.047 468 R CB 1.330 31.720 30.300 0.150 0.000 1.016 468 R HN 0.483 nan 8.270 nan 0.000 0.477 469 T N 3.522 118.064 114.554 -0.021 0.000 2.888 469 T HA 0.410 4.760 4.350 -0.001 0.000 0.284 469 T C -2.467 171.944 174.700 -0.482 0.000 1.017 469 T CA -2.240 59.739 62.100 -0.203 0.000 1.022 469 T CB 1.509 70.060 68.868 -0.528 0.000 1.013 469 T HN 0.374 nan 8.240 nan 0.000 0.465 470 P HA 0.269 nan 4.420 nan 0.000 0.276 470 P C -1.550 175.400 177.300 -0.583 0.000 1.230 470 P CA -0.120 62.458 63.100 -0.870 0.000 0.776 470 P CB 0.330 31.529 31.700 -0.836 0.000 0.888 471 Y N 1.556 121.647 120.300 -0.348 0.000 2.396 471 Y HA 0.357 4.907 4.550 -0.000 0.000 0.332 471 Y C 0.788 176.665 175.900 -0.038 0.000 1.034 471 Y CA -1.232 56.760 58.100 -0.180 0.000 1.057 471 Y CB 2.615 40.954 38.460 -0.202 0.000 1.220 471 Y HN 0.182 nan 8.280 nan 0.000 0.440 472 R N 1.634 122.247 120.500 0.189 0.000 2.459 472 R HA 0.463 4.803 4.340 -0.001 0.000 0.281 472 R C -0.389 176.009 176.300 0.163 0.000 1.050 472 R CA -1.004 55.172 56.100 0.126 0.000 1.055 472 R CB 0.914 31.221 30.300 0.011 0.000 1.045 472 R HN 0.447 nan 8.270 nan 0.000 0.495 473 R N 1.436 121.923 120.500 -0.021 0.000 2.490 473 R HA 0.269 4.609 4.340 -0.001 0.000 0.280 473 R C -1.073 174.961 176.300 -0.443 0.000 1.077 473 R CA -0.240 55.503 56.100 -0.594 0.000 1.065 473 R CB 1.081 31.160 30.300 -0.368 0.000 1.003 473 R HN 0.447 nan 8.270 nan 0.000 0.470 474 V N 6.000 125.557 119.914 -0.595 0.000 2.501 474 V HA 0.353 4.472 4.120 -0.001 0.000 0.277 474 V C -1.340 174.588 176.094 -0.277 0.000 1.004 474 V CA -0.735 61.377 62.300 -0.314 0.000 0.862 474 V CB 1.815 33.517 31.823 -0.203 0.000 1.035 474 V HN 0.578 nan 8.190 nan 0.000 0.448 475 V N 8.637 128.432 119.914 -0.198 0.000 2.387 475 V HA 0.694 4.814 4.120 -0.001 0.000 0.260 475 V C 1.363 177.408 176.094 -0.080 0.000 1.054 475 V CA 1.331 63.555 62.300 -0.126 0.000 0.967 475 V CB 0.008 31.774 31.823 -0.094 0.000 1.036 475 V HN 1.541 nan 8.190 nan 0.000 0.481 476 G N 5.344 114.107 108.800 -0.062 0.000 2.539 476 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.256 476 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.256 476 G C 0.785 175.658 174.900 -0.046 0.000 1.233 476 G CA -0.080 44.995 45.100 -0.043 0.000 0.936 476 G HN 1.353 nan 8.290 nan 0.000 0.571 477 G N -0.757 108.022 108.800 -0.035 0.000 3.279 477 G HA2 0.474 4.434 3.960 -0.001 0.000 0.230 477 G HA3 0.474 4.434 3.960 -0.001 0.000 0.230 477 G C 0.076 174.953 174.900 -0.038 0.000 1.230 477 G CA 0.990 46.070 45.100 -0.033 0.000 0.891 477 G HN 1.193 nan 8.290 nan 0.000 0.518 478 V N 1.375 121.259 119.914 -0.050 0.000 2.409 478 V HA 0.366 4.486 4.120 -0.001 0.000 0.291 478 V C 0.215 176.265 176.094 -0.074 0.000 1.020 478 V CA -0.988 61.281 62.300 -0.052 0.000 0.848 478 V CB 1.671 33.466 31.823 -0.047 0.000 0.990 478 V HN 0.200 nan 8.190 nan 0.000 0.430 479 V N 2.701 122.577 119.914 -0.064 0.000 2.567 479 V HA 0.746 4.866 4.120 -0.001 0.000 0.289 479 V C 0.160 176.212 176.094 -0.069 0.000 1.049 479 V CA -0.013 62.241 62.300 -0.077 0.000 0.969 479 V CB 1.342 33.131 31.823 -0.055 0.000 0.995 479 V HN 0.798 nan 8.190 nan 0.000 0.471 480 T N 3.016 117.519 114.554 -0.085 0.000 2.945 480 T HA 0.418 4.768 4.350 -0.001 0.000 0.286 480 T C -0.069 174.602 174.700 -0.048 0.000 1.025 480 T CA -0.194 61.867 62.100 -0.065 0.000 1.039 480 T CB 1.524 70.345 68.868 -0.078 0.000 1.068 480 T HN 0.821 nan 8.240 nan 0.000 0.497 481 D N 0.379 120.758 120.400 -0.036 0.000 2.325 481 D HA 0.091 4.731 4.640 -0.001 0.000 0.225 481 D C 0.468 176.751 176.300 -0.028 0.000 1.096 481 D CA 0.072 54.054 54.000 -0.030 0.000 0.844 481 D CB 0.384 41.171 40.800 -0.021 0.000 0.925 481 D HN 0.501 nan 8.370 nan 0.000 0.513 482 E N 0.702 120.886 120.200 -0.027 0.000 2.301 482 E HA 0.359 4.709 4.350 -0.001 0.000 0.275 482 E C -0.961 175.631 176.600 -0.014 0.000 1.030 482 E CA -0.434 55.957 56.400 -0.016 0.000 0.852 482 E CB 1.056 30.751 29.700 -0.009 0.000 1.060 482 E HN -0.187 nan 8.360 nan 0.000 0.401 483 V N 3.462 123.361 119.914 -0.026 0.000 2.962 483 V HA 0.375 4.495 4.120 -0.001 0.000 0.313 483 V C -0.795 175.254 176.094 -0.075 0.000 1.099 483 V CA -0.899 61.359 62.300 -0.069 0.000 0.971 483 V CB 2.154 33.858 31.823 -0.198 0.000 1.028 483 V HN 0.537 nan 8.190 nan 0.000 0.430 484 V N 2.243 122.096 119.914 -0.102 0.000 2.380 484 V HA 0.398 4.518 4.120 -0.001 0.000 0.286 484 V C -0.966 174.994 176.094 -0.224 0.000 1.015 484 V CA -0.804 61.433 62.300 -0.105 0.000 0.834 484 V CB 0.933 32.718 31.823 -0.063 0.000 1.009 484 V HN 0.744 nan 8.190 nan 0.000 0.428 485 Y N 5.168 125.427 120.300 -0.067 0.000 2.650 485 Y HA 0.325 4.875 4.550 -0.001 0.000 0.342 485 Y C 0.744 176.580 175.900 -0.107 0.000 1.110 485 Y CA 0.520 58.559 58.100 -0.102 0.000 1.438 485 Y CB 0.413 38.834 38.460 -0.064 0.000 1.181 485 Y HN 0.539 nan 8.280 nan 0.000 0.526 486 M N 2.461 122.043 119.600 -0.030 0.000 2.472 486 M HA 0.322 4.801 4.480 -0.001 0.000 0.331 486 M C 0.091 176.391 176.300 0.000 0.000 1.170 486 M CA -0.812 54.465 55.300 -0.039 0.000 1.009 486 M CB 1.607 34.160 32.600 -0.078 0.000 1.672 486 M HN 0.445 nan 8.290 nan 0.000 0.453 487 T N 1.279 115.824 114.554 -0.014 0.000 2.900 487 T HA 0.145 4.495 4.350 -0.001 0.000 0.307 487 T C 1.230 175.943 174.700 0.022 0.000 1.065 487 T CA -0.052 62.025 62.100 -0.038 0.000 1.105 487 T CB 1.056 69.830 68.868 -0.158 0.000 0.979 487 T HN 0.793 nan 8.240 nan 0.000 0.544 488 A N 2.017 124.862 122.820 0.040 0.000 1.969 488 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 488 A C 2.471 180.151 177.584 0.160 0.000 1.169 488 A CA 1.809 53.929 52.037 0.137 0.000 0.635 488 A CB -1.263 17.845 19.000 0.180 0.000 0.810 488 A HN 0.949 nan 8.150 nan 0.000 0.445 489 T N -1.368 113.234 114.554 0.080 0.000 2.737 489 T HA -0.150 4.200 4.350 -0.001 0.000 0.265 489 T C 1.582 176.334 174.700 0.086 0.000 1.038 489 T CA 1.383 63.524 62.100 0.068 0.000 1.144 489 T CB -0.550 68.321 68.868 0.006 0.000 0.866 489 T HN 0.630 nan 8.240 nan 0.000 0.434 490 E N 1.193 121.451 120.200 0.097 0.000 2.160 490 E HA -0.162 4.188 4.350 -0.001 0.000 0.195 490 E C 2.333 179.004 176.600 0.118 0.000 0.991 490 E CA 0.989 57.451 56.400 0.102 0.000 0.810 490 E CB -0.196 29.537 29.700 0.056 0.000 0.742 490 E HN 0.588 nan 8.360 nan 0.000 0.466 491 E N 1.434 121.706 120.200 0.120 0.000 2.160 491 E HA -0.235 4.115 4.350 -0.001 0.000 0.195 491 E C 1.093 177.795 176.600 0.170 0.000 0.991 491 E CA 1.185 57.672 56.400 0.145 0.000 0.810 491 E CB 0.036 29.883 29.700 0.246 0.000 0.742 491 E HN 0.148 nan 8.360 nan 0.000 0.466 492 D N -0.205 120.299 120.400 0.173 0.000 2.269 492 D HA -0.038 4.602 4.640 -0.001 0.000 0.208 492 D C 1.869 178.237 176.300 0.112 0.000 0.963 492 D CA 0.519 54.606 54.000 0.145 0.000 0.864 492 D CB 0.047 40.898 40.800 0.084 0.000 0.936 492 D HN 0.156 nan 8.370 nan 0.000 0.505 493 R N -1.054 119.527 120.500 0.136 0.000 2.189 493 R HA -0.022 4.317 4.340 -0.001 0.000 0.223 493 R C 0.123 176.435 176.300 0.020 0.000 1.092 493 R CA 0.618 56.766 56.100 0.078 0.000 0.989 493 R CB 0.015 30.382 30.300 0.112 0.000 0.876 493 R HN 0.210 nan 8.270 nan 0.000 0.457 494 Y N -0.616 119.694 120.300 0.017 0.000 2.567 494 Y HA 0.258 4.807 4.550 -0.000 0.000 0.333 494 Y C 0.262 176.180 175.900 0.029 0.000 1.106 494 Y CA -1.060 57.065 58.100 0.041 0.000 1.157 494 Y CB 1.763 40.257 38.460 0.055 0.000 1.277 494 Y HN -0.292 nan 8.280 nan 0.000 0.490 495 T N 3.775 118.467 114.554 0.230 0.000 2.811 495 T HA 0.475 4.825 4.350 -0.001 0.000 0.309 495 T C -0.513 174.263 174.700 0.127 0.000 1.005 495 T CA -0.254 61.923 62.100 0.128 0.000 0.955 495 T CB -0.694 68.222 68.868 0.080 0.000 0.970 495 T HN 0.183 nan 8.240 nan 0.000 0.496 496 I N 2.692 123.288 120.570 0.044 0.000 2.577 496 I HA 0.720 4.889 4.170 -0.001 0.000 0.305 496 I C 0.420 176.523 176.117 -0.025 0.000 0.986 496 I CA -0.674 60.604 61.300 -0.036 0.000 1.189 496 I CB 1.451 39.277 38.000 -0.290 0.000 1.355 496 I HN 0.630 nan 8.210 nan 0.000 0.476 497 A N 3.336 126.141 122.820 -0.024 0.000 2.386 497 A HA 0.706 5.026 4.320 -0.001 0.000 0.308 497 A C -0.519 177.073 177.584 0.013 0.000 1.128 497 A CA -0.605 51.431 52.037 -0.001 0.000 0.789 497 A CB 1.316 20.316 19.000 0.001 0.000 1.325 497 A HN 0.556 nan 8.150 nan 0.000 0.437 498 Q N -0.383 119.433 119.800 0.027 0.000 2.396 498 Q HA 0.457 4.797 4.340 -0.001 0.000 0.221 498 Q C 1.164 177.186 176.000 0.037 0.000 1.025 498 Q CA 0.537 56.369 55.803 0.048 0.000 0.946 498 Q CB 1.364 30.114 28.738 0.021 0.000 1.224 498 Q HN 0.828 nan 8.270 nan 0.000 0.539 499 A N 1.967 124.817 122.820 0.050 0.000 2.072 499 A HA -0.042 4.278 4.320 -0.001 0.000 0.216 499 A C 1.405 179.007 177.584 0.031 0.000 1.156 499 A CA 0.874 52.936 52.037 0.041 0.000 0.701 499 A CB -0.307 18.727 19.000 0.057 0.000 0.816 499 A HN 0.858 nan 8.150 nan 0.000 0.458 500 N N 0.529 119.241 118.700 0.021 0.000 2.573 500 N HA -0.070 4.669 4.740 -0.001 0.000 0.187 500 N C 0.175 175.691 175.510 0.011 0.000 1.107 500 N CA 0.702 53.761 53.050 0.014 0.000 0.918 500 N CB -0.192 38.286 38.487 -0.014 0.000 0.966 500 N HN 0.593 nan 8.380 nan 0.000 0.448 501 T N 0.724 115.283 114.554 0.009 0.000 2.831 501 T HA 0.113 4.463 4.350 -0.001 0.000 0.291 501 T C -2.536 172.169 174.700 0.008 0.000 0.981 501 T CA -1.430 60.673 62.100 0.005 0.000 1.174 501 T CB 0.772 69.641 68.868 0.002 0.000 0.929 501 T HN -0.086 nan 8.240 nan 0.000 0.532 502 P HA 0.321 nan 4.420 nan 0.000 0.263 502 P C -0.742 176.561 177.300 0.006 0.000 1.195 502 P CA -0.158 62.948 63.100 0.010 0.000 0.762 502 P CB 0.316 32.021 31.700 0.009 0.000 0.799 503 L N 3.181 124.409 121.223 0.008 0.000 2.408 503 L HA 0.265 4.605 4.340 -0.001 0.000 0.268 503 L C 1.002 177.875 176.870 0.005 0.000 0.986 503 L CA -0.439 54.403 54.840 0.003 0.000 0.820 503 L CB 2.350 44.409 42.059 0.000 0.000 1.303 503 L HN 0.280 nan 8.230 nan 0.000 0.411 504 E N 2.193 122.393 120.200 0.001 0.000 2.474 504 E HA 0.263 4.613 4.350 -0.001 0.000 0.195 504 E C 0.829 177.429 176.600 0.000 0.000 1.039 504 E CA 0.723 57.124 56.400 0.002 0.000 0.881 504 E CB 1.555 31.255 29.700 0.001 0.000 0.970 504 E HN 0.953 nan 8.360 nan 0.000 0.486 505 G N 1.722 110.521 108.800 -0.003 0.000 3.154 505 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.114 505 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.114 505 G C 0.648 175.541 174.900 -0.012 0.000 2.421 505 G CA -0.094 45.003 45.100 -0.006 0.000 1.271 505 G HN 0.181 nan 8.290 nan 0.000 0.371 506 N N -0.023 118.668 118.700 -0.015 0.000 2.197 506 N HA 0.313 5.053 4.740 -0.001 0.000 0.201 506 N C 0.626 176.121 175.510 -0.024 0.000 1.148 506 N CA -0.062 52.974 53.050 -0.023 0.000 0.883 506 N CB 1.025 39.497 38.487 -0.025 0.000 1.012 506 N HN 0.303 nan 8.380 nan 0.000 0.507 507 R N 1.941 122.431 120.500 -0.017 0.000 2.229 507 R HA 0.282 4.622 4.340 -0.001 0.000 0.328 507 R C -0.110 176.181 176.300 -0.014 0.000 1.009 507 R CA -0.492 55.599 56.100 -0.016 0.000 0.864 507 R CB 0.337 30.630 30.300 -0.011 0.000 1.085 507 R HN -0.024 nan 8.270 nan 0.000 0.453 508 I N 2.962 123.522 120.570 -0.016 0.000 2.948 508 I HA -0.019 4.150 4.170 -0.001 0.000 0.290 508 I C 0.906 177.019 176.117 -0.008 0.000 1.226 508 I CA 0.470 61.762 61.300 -0.013 0.000 1.413 508 I CB 0.593 38.584 38.000 -0.015 0.000 1.352 508 I HN 0.811 nan 8.210 nan 0.000 0.597 509 A N 3.580 126.397 122.820 -0.004 0.000 2.358 509 A HA 0.635 4.954 4.320 -0.001 0.000 0.223 509 A C 0.794 178.377 177.584 -0.001 0.000 1.218 509 A CA 0.417 52.453 52.037 -0.002 0.000 0.942 509 A CB 0.259 19.260 19.000 0.002 0.000 1.005 509 A HN 0.835 nan 8.150 nan 0.000 0.514 510 A N -0.336 122.483 122.820 -0.002 0.000 2.374 510 A HA 0.613 4.933 4.320 -0.001 0.000 0.305 510 A C 0.393 177.975 177.584 -0.003 0.000 1.053 510 A CA -0.270 51.766 52.037 -0.002 0.000 0.726 510 A CB 0.837 19.836 19.000 -0.001 0.000 1.229 510 A HN 0.208 nan 8.150 nan 0.000 0.431 511 E N 1.237 121.435 120.200 -0.003 0.000 2.033 511 E HA -0.161 4.189 4.350 -0.001 0.000 0.199 511 E C 0.214 176.812 176.600 -0.004 0.000 1.011 511 E CA 1.108 57.506 56.400 -0.004 0.000 0.815 511 E CB -0.008 29.690 29.700 -0.003 0.000 0.755 511 E HN 0.603 nan 8.360 nan 0.000 0.451 512 R N 1.145 121.643 120.500 -0.003 0.000 2.593 512 R HA 0.233 4.573 4.340 -0.001 0.000 0.282 512 R C -0.821 175.477 176.300 -0.004 0.000 1.300 512 R CA -0.208 55.890 56.100 -0.003 0.000 1.221 512 R CB 0.930 31.228 30.300 -0.003 0.000 1.157 512 R HN -0.040 nan 8.270 nan 0.000 0.555 513 V N 3.390 123.302 119.914 -0.003 0.000 2.628 513 V HA 0.291 4.411 4.120 -0.001 0.000 0.306 513 V C 0.145 176.237 176.094 -0.003 0.000 1.045 513 V CA -0.943 61.355 62.300 -0.004 0.000 0.905 513 V CB 2.336 34.157 31.823 -0.004 0.000 0.997 513 V HN 0.457 nan 8.190 nan 0.000 0.436 514 V N 3.948 123.859 119.914 -0.005 0.000 2.673 514 V HA 0.815 4.935 4.120 -0.001 0.000 0.303 514 V C 0.195 176.290 176.094 0.001 0.000 1.046 514 V CA 0.409 62.706 62.300 -0.005 0.000 1.126 514 V CB 0.259 32.074 31.823 -0.012 0.000 0.934 514 V HN 1.523 nan 8.190 nan 0.000 0.487 515 A N 4.459 127.282 122.820 0.005 0.000 2.612 515 A HA 0.905 5.225 4.320 -0.001 0.000 0.293 515 A C -0.796 176.798 177.584 0.017 0.000 1.075 515 A CA -1.116 50.928 52.037 0.012 0.000 0.680 515 A CB 1.924 20.933 19.000 0.014 0.000 1.279 515 A HN 0.789 nan 8.150 nan 0.000 0.411 516 R N 1.294 121.809 120.500 0.025 0.000 2.412 516 R HA 0.385 4.725 4.340 -0.001 0.000 0.304 516 R C 0.581 176.910 176.300 0.048 0.000 1.066 516 R CA -0.690 55.431 56.100 0.035 0.000 0.923 516 R CB 1.056 31.384 30.300 0.047 0.000 1.156 516 R HN 0.942 nan 8.270 nan 0.000 0.513 517 R N 2.597 123.125 120.500 0.047 0.000 2.147 517 R HA -0.139 4.201 4.340 -0.001 0.000 0.225 517 R C -0.306 176.045 176.300 0.084 0.000 1.120 517 R CA 1.914 58.049 56.100 0.058 0.000 0.891 517 R CB 0.244 30.570 30.300 0.044 0.000 0.822 517 R HN 0.452 nan 8.270 nan 0.000 0.433 518 K N -1.591 118.863 120.400 0.091 0.000 2.705 518 K HA 0.312 4.632 4.320 -0.001 0.000 0.238 518 K C -0.343 176.343 176.600 0.144 0.000 0.996 518 K CA 0.094 56.466 56.287 0.142 0.000 1.007 518 K CB 1.711 34.284 32.500 0.122 0.000 1.206 518 K HN 0.501 nan 8.250 nan 0.000 0.488 519 G N 1.870 110.748 108.800 0.130 0.000 2.244 519 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.274 519 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.274 519 G C -0.313 174.607 174.900 0.033 0.000 1.002 519 G CA 0.539 45.675 45.100 0.059 0.000 0.740 519 G HN 0.542 nan 8.290 nan 0.000 0.516 520 E N 0.092 120.317 120.200 0.042 0.000 2.218 520 E HA 0.373 4.723 4.350 -0.001 0.000 0.263 520 E C -2.730 173.880 176.600 0.017 0.000 0.879 520 E CA -2.228 54.186 56.400 0.024 0.000 0.762 520 E CB 1.980 31.697 29.700 0.029 0.000 1.166 520 E HN 0.057 nan 8.360 nan 0.000 0.415 521 P HA 0.061 nan 4.420 nan 0.000 0.267 521 P C -0.666 176.636 177.300 0.004 0.000 1.209 521 P CA 0.000 63.100 63.100 -0.000 0.000 0.763 521 P CB 0.534 32.228 31.700 -0.010 0.000 0.816 522 V N 5.401 125.319 119.914 0.006 0.000 2.733 522 V HA 0.289 4.408 4.120 -0.001 0.000 0.306 522 V C 0.059 176.155 176.094 0.004 0.000 1.084 522 V CA -0.743 61.561 62.300 0.006 0.000 0.905 522 V CB 2.390 34.220 31.823 0.012 0.000 1.010 522 V HN 0.480 nan 8.190 nan 0.000 0.424 523 I N 5.760 126.331 120.570 0.001 0.000 2.278 523 I HA 0.381 4.551 4.170 -0.001 0.000 0.296 523 I C -0.391 175.726 176.117 0.001 0.000 1.121 523 I CA 0.258 61.557 61.300 -0.000 0.000 1.267 523 I CB 0.318 38.316 38.000 -0.003 0.000 1.447 523 I HN 0.401 nan 8.210 nan 0.000 0.509 524 V N 5.746 125.661 119.914 0.002 0.000 3.109 524 V HA 0.446 4.566 4.120 -0.001 0.000 0.317 524 V C 0.361 176.455 176.094 0.000 0.000 1.074 524 V CA -0.528 61.774 62.300 0.003 0.000 1.033 524 V CB 1.987 33.815 31.823 0.008 0.000 1.111 524 V HN 0.804 nan 8.190 nan 0.000 0.458 525 S N 2.333 118.032 115.700 -0.001 0.000 2.617 525 S HA 0.362 4.832 4.470 -0.001 0.000 0.283 525 S C -2.107 172.490 174.600 -0.004 0.000 1.189 525 S CA -1.307 56.892 58.200 -0.003 0.000 1.036 525 S CB 1.281 64.479 63.200 -0.004 0.000 1.014 525 S HN 0.570 nan 8.310 nan 0.000 0.522 526 P HA -0.188 nan 4.420 nan 0.000 0.218 526 P C 0.922 178.214 177.300 -0.014 0.000 1.146 526 P CA 1.206 64.299 63.100 -0.011 0.000 0.813 526 P CB -0.074 31.619 31.700 -0.011 0.000 0.778 527 E N -0.132 120.062 120.200 -0.011 0.000 2.208 527 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 527 E C 1.525 178.120 176.600 -0.009 0.000 0.988 527 E CA 1.055 57.448 56.400 -0.012 0.000 0.828 527 E CB -0.878 28.816 29.700 -0.010 0.000 0.763 527 E HN 0.305 nan 8.360 nan 0.000 0.478 528 E N 0.654 120.852 120.200 -0.004 0.000 2.400 528 E HA 0.065 4.414 4.350 -0.001 0.000 0.195 528 E C -0.201 176.409 176.600 0.017 0.000 1.012 528 E CA 0.011 56.413 56.400 0.004 0.000 0.875 528 E CB 0.632 30.334 29.700 0.003 0.000 0.859 528 E HN 0.010 nan 8.360 nan 0.000 0.498 529 V N 2.983 122.901 119.914 0.007 0.000 2.456 529 V HA -0.099 4.021 4.120 -0.001 0.000 0.247 529 V C 0.922 177.015 176.094 -0.001 0.000 1.056 529 V CA 0.874 63.179 62.300 0.008 0.000 1.203 529 V CB -0.452 31.363 31.823 -0.013 0.000 1.185 529 V HN 0.215 nan 8.190 nan 0.000 0.477 530 E N 2.415 122.660 120.200 0.075 0.000 2.112 530 E HA 0.121 4.471 4.350 -0.001 0.000 0.190 530 E C -0.068 176.448 176.600 -0.140 0.000 0.979 530 E CA 1.014 57.475 56.400 0.102 0.000 0.814 530 E CB 0.254 30.235 29.700 0.469 0.000 0.762 530 E HN 0.632 nan 8.360 nan 0.000 0.460 531 F N -0.859 119.086 119.950 -0.008 0.000 2.613 531 F HA 0.436 4.963 4.527 -0.001 0.000 0.310 531 F C -0.497 175.221 175.800 -0.137 0.000 1.085 531 F CA -0.957 56.978 58.000 -0.109 0.000 0.945 531 F CB 1.855 40.722 39.000 -0.222 0.000 1.298 531 F HN -0.209 nan 8.300 nan 0.000 0.455 532 M N 1.533 121.173 119.600 0.066 0.000 2.591 532 M HA 0.463 4.943 4.480 -0.001 0.000 0.306 532 M C -1.439 174.886 176.300 0.042 0.000 1.190 532 M CA -0.580 54.726 55.300 0.011 0.000 0.889 532 M CB 1.879 34.480 32.600 0.000 0.000 1.728 532 M HN 0.617 nan 8.290 nan 0.000 0.458 533 D N 1.259 121.691 120.400 0.054 0.000 2.378 533 D HA 0.080 4.720 4.640 -0.001 0.000 0.238 533 D C 0.840 177.201 176.300 0.103 0.000 1.180 533 D CA -0.057 54.055 54.000 0.186 0.000 0.895 533 D CB 1.142 42.064 40.800 0.204 0.000 1.192 533 D HN 0.337 nan 8.370 nan 0.000 0.438 534 V N 0.093 120.030 119.914 0.038 0.000 2.379 534 V HA 0.032 4.151 4.120 -0.001 0.000 0.243 534 V C 0.610 176.640 176.094 -0.107 0.000 1.035 534 V CA 1.598 63.834 62.300 -0.106 0.000 1.035 534 V CB -0.260 31.386 31.823 -0.295 0.000 0.673 534 V HN 0.784 nan 8.190 nan 0.000 0.457 535 S N -2.982 112.680 115.700 -0.064 0.000 2.578 535 S HA 0.385 4.855 4.470 -0.001 0.000 0.272 535 S C -2.716 171.954 174.600 0.115 0.000 1.145 535 S CA -0.739 57.468 58.200 0.012 0.000 0.835 535 S CB 1.227 64.406 63.200 -0.035 0.000 1.104 535 S HN -0.043 nan 8.310 nan 0.000 0.458 536 P HA 0.010 nan 4.420 nan 0.000 0.218 536 P C 0.798 178.161 177.300 0.104 0.000 1.149 536 P CA 1.170 64.378 63.100 0.180 0.000 0.817 536 P CB -0.023 31.827 31.700 0.249 0.000 0.785 537 K N 0.247 120.732 120.400 0.142 0.000 2.026 537 K HA -0.221 4.098 4.320 -0.001 0.000 0.208 537 K C 2.209 178.949 176.600 0.233 0.000 1.048 537 K CA 1.738 58.112 56.287 0.145 0.000 0.929 537 K CB -1.065 31.575 32.500 0.234 0.000 0.713 537 K HN 0.267 nan 8.250 nan 0.000 0.439 538 Q N 0.978 121.001 119.800 0.372 0.000 2.173 538 Q HA -0.193 4.147 4.340 -0.001 0.000 0.208 538 Q C 1.669 177.886 176.000 0.363 0.000 0.989 538 Q CA 2.162 58.193 55.803 0.379 0.000 0.872 538 Q CB -0.842 28.043 28.738 0.245 0.000 0.909 538 Q HN 0.095 nan 8.270 nan 0.000 0.420 539 V N -0.033 120.162 119.914 0.469 0.000 2.324 539 V HA -0.165 3.954 4.120 -0.001 0.000 0.250 539 V C 1.428 177.984 176.094 0.770 0.000 1.060 539 V CA 1.651 64.381 62.300 0.718 0.000 1.042 539 V CB -0.850 31.283 31.823 0.517 0.000 0.650 539 V HN 0.349 nan 8.190 nan 0.000 0.450 540 F N -1.359 118.722 119.950 0.218 0.000 2.585 540 F HA 0.527 5.054 4.527 -0.001 0.000 0.350 540 F C 0.832 176.685 175.800 0.089 0.000 1.074 540 F CA -0.753 57.328 58.000 0.134 0.000 1.032 540 F CB 1.463 40.522 39.000 0.099 0.000 1.330 540 F HN -0.096 nan 8.300 nan 0.000 0.495 541 S N -0.334 115.526 115.700 0.266 0.000 2.681 541 S HA 0.244 4.714 4.470 -0.001 0.000 0.270 541 S C 0.851 175.509 174.600 0.096 0.000 1.209 541 S CA -0.684 57.592 58.200 0.126 0.000 0.988 541 S CB 1.403 64.642 63.200 0.065 0.000 1.006 541 S HN 0.387 nan 8.310 nan 0.000 0.558 542 V N 2.929 122.863 119.914 0.033 0.000 2.237 542 V HA -0.179 3.941 4.120 -0.001 0.000 0.245 542 V C 2.540 178.644 176.094 0.018 0.000 1.046 542 V CA 2.437 64.738 62.300 0.002 0.000 1.007 542 V CB -1.289 30.520 31.823 -0.024 0.000 0.638 542 V HN 0.975 nan 8.190 nan 0.000 0.445 543 N N 0.200 118.914 118.700 0.022 0.000 2.205 543 N HA -0.213 4.526 4.740 -0.001 0.000 0.186 543 N C 1.756 177.290 175.510 0.040 0.000 1.015 543 N CA 2.006 55.070 53.050 0.024 0.000 0.862 543 N CB 0.036 38.537 38.487 0.023 0.000 0.986 543 N HN 0.718 nan 8.380 nan 0.000 0.429 544 T N -1.651 112.945 114.554 0.071 0.000 2.937 544 T HA -0.030 4.320 4.350 -0.001 0.000 0.260 544 T C 1.647 176.424 174.700 0.128 0.000 1.051 544 T CA 0.472 62.640 62.100 0.114 0.000 1.141 544 T CB -0.476 68.496 68.868 0.173 0.000 0.879 544 T HN 0.185 nan 8.240 nan 0.000 0.459 545 N N 1.276 120.040 118.700 0.108 0.000 2.585 545 N HA -0.020 4.720 4.740 -0.001 0.000 0.188 545 N C 1.184 176.688 175.510 -0.009 0.000 1.102 545 N CA 0.462 53.540 53.050 0.047 0.000 0.920 545 N CB -0.248 38.252 38.487 0.021 0.000 0.963 545 N HN 0.479 nan 8.380 nan 0.000 0.447 546 L N 0.519 121.736 121.223 -0.009 0.000 2.591 546 L HA 0.223 4.563 4.340 -0.001 0.000 0.228 546 L C 0.323 177.149 176.870 -0.074 0.000 1.133 546 L CA 0.069 54.880 54.840 -0.048 0.000 0.880 546 L CB 0.016 42.057 42.059 -0.031 0.000 1.033 546 L HN 0.021 nan 8.230 nan 0.000 0.450 547 I N 0.566 121.100 120.570 -0.058 0.000 2.352 547 I HA 0.131 4.301 4.170 -0.001 0.000 0.290 547 I C -1.297 174.736 176.117 -0.140 0.000 1.036 547 I CA -1.839 59.399 61.300 -0.103 0.000 1.336 547 I CB 0.863 38.850 38.000 -0.022 0.000 1.407 547 I HN -0.138 nan 8.210 nan 0.000 0.497 548 P HA -0.196 nan 4.420 nan 0.000 0.212 548 P C 0.127 177.248 177.300 -0.298 0.000 0.907 548 P CA 1.461 64.365 63.100 -0.326 0.000 0.993 548 P CB 0.078 31.588 31.700 -0.317 0.000 0.646 549 F N -0.880 119.127 119.950 0.095 0.000 2.560 549 F HA 0.168 4.695 4.527 -0.000 0.000 0.338 549 F C 1.403 177.210 175.800 0.012 0.000 1.201 549 F CA -0.332 57.633 58.000 -0.058 0.000 1.291 549 F CB -0.959 37.922 39.000 -0.198 0.000 1.627 549 F HN -0.116 nan 8.300 nan 0.000 0.588 550 L N 1.528 122.807 121.223 0.093 0.000 2.265 550 L HA -0.180 4.160 4.340 -0.001 0.000 0.215 550 L C 2.195 179.095 176.870 0.049 0.000 1.117 550 L CA 1.679 56.573 54.840 0.089 0.000 0.782 550 L CB -0.685 41.382 42.059 0.013 0.000 0.914 550 L HN 0.531 nan 8.230 nan 0.000 0.441 551 E N -2.430 117.722 120.200 -0.079 0.000 2.204 551 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 551 E C 1.324 178.127 176.600 0.338 0.000 0.989 551 E CA 1.636 58.084 56.400 0.079 0.000 0.824 551 E CB -0.515 29.235 29.700 0.083 0.000 0.756 551 E HN 0.676 nan 8.360 nan 0.000 0.477 552 H N 0.045 119.161 119.070 0.077 0.000 2.586 552 H HA 0.182 4.737 4.556 -0.000 0.000 0.273 552 H C -0.418 174.914 175.328 0.007 0.000 0.997 552 H CA -0.600 55.455 56.048 0.011 0.000 1.177 552 H CB 0.487 30.193 29.762 -0.093 0.000 1.471 552 H HN 0.110 nan 8.280 nan 0.000 0.538 553 D N 0.747 121.251 120.400 0.174 0.000 2.185 553 D HA 0.035 4.675 4.640 -0.001 0.000 0.247 553 D C -0.486 175.891 176.300 0.129 0.000 1.027 553 D CA -0.602 53.474 54.000 0.128 0.000 0.861 553 D CB 1.570 42.485 40.800 0.192 0.000 1.202 553 D HN 0.117 nan 8.370 nan 0.000 0.453 554 D N 1.256 121.710 120.400 0.090 0.000 2.401 554 D HA 0.159 4.799 4.640 -0.001 0.000 0.254 554 D C 1.083 177.431 176.300 0.081 0.000 1.192 554 D CA -0.199 53.848 54.000 0.078 0.000 0.885 554 D CB 1.036 41.867 40.800 0.051 0.000 1.147 554 D HN 0.380 nan 8.370 nan 0.000 0.478 555 A N 4.749 127.618 122.820 0.082 0.000 1.944 555 A HA -0.381 3.939 4.320 -0.001 0.000 0.222 555 A C 2.059 179.659 177.584 0.027 0.000 1.237 555 A CA 2.243 54.310 52.037 0.051 0.000 0.668 555 A CB -0.841 18.179 19.000 0.033 0.000 0.830 555 A HN 0.726 nan 8.150 nan 0.000 0.471 556 N N -1.152 117.567 118.700 0.032 0.000 2.120 556 N HA -0.092 4.648 4.740 -0.001 0.000 0.188 556 N C 1.808 177.339 175.510 0.035 0.000 1.024 556 N CA 1.126 54.192 53.050 0.027 0.000 0.852 556 N CB -0.215 38.290 38.487 0.029 0.000 1.003 556 N HN 0.317 nan 8.380 nan 0.000 0.424 557 R N 0.041 120.570 120.500 0.048 0.000 2.235 557 R HA 0.153 4.493 4.340 -0.001 0.000 0.213 557 R C 1.631 177.974 176.300 0.072 0.000 1.059 557 R CA 0.630 56.765 56.100 0.058 0.000 0.997 557 R CB -0.460 29.878 30.300 0.064 0.000 0.884 557 R HN 0.240 nan 8.270 nan 0.000 0.462 558 A N 0.973 123.837 122.820 0.073 0.000 1.970 558 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 558 A C 2.189 179.800 177.584 0.045 0.000 1.170 558 A CA 0.456 52.542 52.037 0.082 0.000 0.645 558 A CB -0.372 18.685 19.000 0.095 0.000 0.816 558 A HN 0.263 nan 8.150 nan 0.000 0.447 559 L N -0.330 120.907 121.223 0.023 0.000 1.971 559 L HA -0.281 4.059 4.340 -0.001 0.000 0.215 559 L C 2.670 179.554 176.870 0.023 0.000 1.072 559 L CA 2.266 57.110 54.840 0.008 0.000 0.758 559 L CB -0.317 41.744 42.059 0.004 0.000 0.889 559 L HN 0.439 nan 8.230 nan 0.000 0.433 560 M N -0.801 118.819 119.600 0.033 0.000 2.144 560 M HA -0.199 4.281 4.480 -0.001 0.000 0.260 560 M C 2.183 178.507 176.300 0.040 0.000 1.067 560 M CA 1.803 57.125 55.300 0.037 0.000 1.095 560 M CB -1.366 31.259 32.600 0.043 0.000 1.365 560 M HN 0.506 nan 8.290 nan 0.000 0.406 561 G N -0.322 108.505 108.800 0.045 0.000 2.453 561 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.215 561 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.215 561 G C 1.668 176.587 174.900 0.033 0.000 1.201 561 G CA 1.158 46.282 45.100 0.040 0.000 0.784 561 G HN 0.425 nan 8.290 nan 0.000 0.545 562 S N 0.848 116.566 115.700 0.030 0.000 2.370 562 S HA -0.156 4.314 4.470 -0.001 0.000 0.226 562 S C 2.414 177.030 174.600 0.027 0.000 1.033 562 S CA 1.719 59.935 58.200 0.027 0.000 1.011 562 S CB -0.341 62.871 63.200 0.020 0.000 0.852 562 S HN 0.464 nan 8.310 nan 0.000 0.457 563 N N 1.559 120.276 118.700 0.027 0.000 2.084 563 N HA -0.133 4.607 4.740 -0.001 0.000 0.190 563 N C 1.766 177.297 175.510 0.035 0.000 1.030 563 N CA 1.763 54.830 53.050 0.028 0.000 0.849 563 N CB -0.535 37.969 38.487 0.029 0.000 1.012 563 N HN 0.618 nan 8.380 nan 0.000 0.423 564 M N 0.682 120.306 119.600 0.039 0.000 2.106 564 M HA -0.206 4.273 4.480 -0.001 0.000 0.259 564 M C 1.611 177.940 176.300 0.049 0.000 1.068 564 M CA 1.672 57.000 55.300 0.046 0.000 1.100 564 M CB -0.555 32.070 32.600 0.042 0.000 1.351 564 M HN 0.084 nan 8.290 nan 0.000 0.404 565 Q N 0.183 120.010 119.800 0.046 0.000 2.096 565 Q HA -0.138 4.201 4.340 -0.001 0.000 0.204 565 Q C 2.021 178.044 176.000 0.038 0.000 0.982 565 Q CA 2.141 57.975 55.803 0.051 0.000 0.850 565 Q CB -0.811 27.957 28.738 0.049 0.000 0.901 565 Q HN 0.687 nan 8.270 nan 0.000 0.422 566 T N 1.668 116.238 114.554 0.027 0.000 2.996 566 T HA -0.098 4.252 4.350 -0.001 0.000 0.271 566 T C 1.118 175.824 174.700 0.010 0.000 1.126 566 T CA 0.894 62.999 62.100 0.008 0.000 1.103 566 T CB -0.029 68.839 68.868 -0.001 0.000 0.870 566 T HN 0.299 nan 8.240 nan 0.000 0.528 567 Q N 0.030 119.857 119.800 0.045 0.000 2.155 567 Q HA 0.463 4.802 4.340 -0.001 0.000 0.220 567 Q C 0.230 176.296 176.000 0.109 0.000 0.819 567 Q CA -0.232 55.626 55.803 0.092 0.000 1.032 567 Q CB 0.417 29.232 28.738 0.129 0.000 1.151 567 Q HN 0.424 nan 8.270 nan 0.000 0.487 568 A N 1.405 124.262 122.820 0.062 0.000 2.454 568 A HA 0.361 4.681 4.320 -0.001 0.000 0.260 568 A C 0.173 177.784 177.584 0.044 0.000 1.106 568 A CA -0.307 51.768 52.037 0.063 0.000 0.780 568 A CB 0.554 19.588 19.000 0.057 0.000 1.044 568 A HN 0.171 nan 8.150 nan 0.000 0.498 569 V N 4.379 124.338 119.914 0.075 0.000 2.509 569 V HA 0.516 4.636 4.120 -0.001 0.000 0.284 569 V C -2.511 173.586 176.094 0.006 0.000 1.047 569 V CA -2.260 60.076 62.300 0.060 0.000 0.952 569 V CB 1.287 33.212 31.823 0.170 0.000 0.988 569 V HN 0.742 nan 8.190 nan 0.000 0.469 570 P HA 0.222 nan 4.420 nan 0.000 0.265 570 P C -0.997 176.271 177.300 -0.053 0.000 1.222 570 P CA -0.074 63.011 63.100 -0.025 0.000 0.767 570 P CB 0.274 31.970 31.700 -0.007 0.000 0.801 571 L N 4.533 125.706 121.223 -0.084 0.000 2.350 571 L HA 0.244 4.583 4.340 -0.001 0.000 0.275 571 L C 1.892 178.704 176.870 -0.097 0.000 1.099 571 L CA -0.045 54.719 54.840 -0.127 0.000 0.808 571 L CB 0.242 42.157 42.059 -0.240 0.000 1.149 571 L HN 0.372 nan 8.230 nan 0.000 0.442 572 I N -0.221 120.306 120.570 -0.072 0.000 2.248 572 I HA -0.194 3.975 4.170 -0.001 0.000 0.248 572 I C 1.297 177.376 176.117 -0.062 0.000 1.107 572 I CA 1.194 62.474 61.300 -0.033 0.000 1.373 572 I CB -0.427 37.569 38.000 -0.006 0.000 1.055 572 I HN 0.564 nan 8.210 nan 0.000 0.418 573 R N 2.367 122.796 120.500 -0.118 0.000 2.287 573 R HA 0.568 4.908 4.340 -0.001 0.000 0.327 573 R C -0.767 175.403 176.300 -0.215 0.000 1.109 573 R CA -0.232 55.773 56.100 -0.159 0.000 1.013 573 R CB 0.587 30.766 30.300 -0.202 0.000 1.126 573 R HN 0.357 nan 8.270 nan 0.000 0.503 574 A N 4.310 127.046 122.820 -0.140 0.000 2.274 574 A HA 0.251 4.571 4.320 -0.001 0.000 0.309 574 A C -0.707 176.819 177.584 -0.096 0.000 1.226 574 A CA -0.485 51.483 52.037 -0.115 0.000 0.853 574 A CB 1.046 20.012 19.000 -0.058 0.000 1.146 574 A HN 0.795 nan 8.150 nan 0.000 0.518 575 Q N 2.033 121.781 119.800 -0.086 0.000 2.310 575 Q HA 0.603 4.942 4.340 -0.001 0.000 0.270 575 Q C -0.275 175.744 176.000 0.031 0.000 1.025 575 Q CA -0.635 55.148 55.803 -0.033 0.000 0.772 575 Q CB 1.784 30.454 28.738 -0.114 0.000 1.253 575 Q HN 1.009 nan 8.270 nan 0.000 0.450 576 A N 4.931 127.748 122.820 -0.006 0.000 2.406 576 A HA 0.450 4.770 4.320 -0.001 0.000 0.243 576 A C -2.338 175.005 177.584 -0.401 0.000 1.082 576 A CA -0.998 50.928 52.037 -0.185 0.000 0.786 576 A CB -0.207 18.713 19.000 -0.133 0.000 1.029 576 A HN 0.574 nan 8.150 nan 0.000 0.495 577 P HA 0.084 nan 4.420 nan 0.000 0.267 577 P C 1.136 178.245 177.300 -0.318 0.000 1.200 577 P CA 0.127 62.632 63.100 -0.992 0.000 0.772 577 P CB 0.405 31.372 31.700 -1.221 0.000 0.855 578 V N 1.503 121.393 119.914 -0.040 0.000 2.759 578 V HA -0.067 4.052 4.120 -0.001 0.000 0.256 578 V C 0.903 177.027 176.094 0.051 0.000 1.080 578 V CA 1.137 63.473 62.300 0.060 0.000 1.101 578 V CB -0.726 31.206 31.823 0.182 0.000 0.698 578 V HN 0.385 nan 8.190 nan 0.000 0.477 579 V N 1.951 121.850 119.914 -0.026 0.000 2.488 579 V HA 0.603 4.722 4.120 -0.001 0.000 0.293 579 V C -0.606 175.376 176.094 -0.186 0.000 1.027 579 V CA -0.618 61.654 62.300 -0.046 0.000 0.862 579 V CB 1.663 33.466 31.823 -0.033 0.000 1.008 579 V HN 0.360 nan 8.190 nan 0.000 0.428 580 M N 4.114 123.594 119.600 -0.199 0.000 2.811 580 M HA 0.457 4.936 4.480 -0.001 0.000 0.303 580 M C 1.228 177.410 176.300 -0.196 0.000 1.227 580 M CA -0.232 54.918 55.300 -0.250 0.000 0.874 580 M CB 2.196 34.603 32.600 -0.321 0.000 1.681 580 M HN 0.719 nan 8.290 nan 0.000 0.500 581 T N -3.447 111.000 114.554 -0.178 0.000 3.021 581 T HA 0.334 4.684 4.350 -0.001 0.000 0.245 581 T C 1.163 175.813 174.700 -0.084 0.000 1.028 581 T CA 0.798 62.817 62.100 -0.135 0.000 1.139 581 T CB 0.280 69.075 68.868 -0.121 0.000 0.884 581 T HN 0.995 nan 8.240 nan 0.000 0.457 582 G N 0.388 109.137 108.800 -0.085 0.000 2.559 582 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.202 582 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.202 582 G C 0.387 175.268 174.900 -0.032 0.000 0.992 582 G CA -0.029 45.044 45.100 -0.046 0.000 0.764 582 G HN 0.357 nan 8.290 nan 0.000 0.525 583 L N 1.932 123.126 121.223 -0.047 0.000 2.766 583 L HA 0.328 4.667 4.340 -0.001 0.000 0.242 583 L C 2.316 179.172 176.870 -0.024 0.000 1.136 583 L CA 0.839 55.658 54.840 -0.036 0.000 0.933 583 L CB 0.404 42.434 42.059 -0.049 0.000 1.241 583 L HN 0.304 nan 8.230 nan 0.000 0.522 584 E N 0.206 120.386 120.200 -0.032 0.000 2.097 584 E HA -0.259 4.091 4.350 -0.001 0.000 0.196 584 E C 1.354 178.003 176.600 0.083 0.000 1.000 584 E CA 1.412 57.811 56.400 -0.002 0.000 0.804 584 E CB -0.207 29.460 29.700 -0.055 0.000 0.740 584 E HN 0.544 nan 8.360 nan 0.000 0.454 585 E N 0.545 120.826 120.200 0.135 0.000 2.017 585 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 585 E C 2.242 178.878 176.600 0.059 0.000 0.997 585 E CA 0.727 57.223 56.400 0.160 0.000 0.804 585 E CB -0.093 29.711 29.700 0.174 0.000 0.757 585 E HN 0.067 nan 8.360 nan 0.000 0.448 586 R N 0.739 121.248 120.500 0.015 0.000 2.117 586 R HA -0.124 4.216 4.340 -0.001 0.000 0.243 586 R C 2.370 178.640 176.300 -0.049 0.000 1.143 586 R CA 0.577 56.655 56.100 -0.037 0.000 0.968 586 R CB -1.149 29.122 30.300 -0.048 0.000 0.863 586 R HN 0.117 nan 8.270 nan 0.000 0.444 587 V N 0.907 120.805 119.914 -0.027 0.000 2.214 587 V HA -0.262 3.858 4.120 -0.001 0.000 0.245 587 V C 2.583 178.661 176.094 -0.027 0.000 1.047 587 V CA 2.204 64.487 62.300 -0.029 0.000 0.998 587 V CB -0.944 30.871 31.823 -0.014 0.000 0.633 587 V HN 0.254 nan 8.190 nan 0.000 0.446 588 V N -0.799 119.117 119.914 0.004 0.000 2.453 588 V HA -0.300 3.820 4.120 -0.001 0.000 0.252 588 V C 2.377 178.465 176.094 -0.010 0.000 1.068 588 V CA 2.565 64.876 62.300 0.018 0.000 1.070 588 V CB -0.972 30.891 31.823 0.067 0.000 0.664 588 V HN 0.473 nan 8.190 nan 0.000 0.461 589 R N 0.378 120.834 120.500 -0.073 0.000 2.062 589 R HA -0.096 4.244 4.340 -0.001 0.000 0.226 589 R C 2.094 178.260 176.300 -0.222 0.000 1.125 589 R CA 1.923 57.863 56.100 -0.267 0.000 0.966 589 R CB -0.328 29.710 30.300 -0.436 0.000 0.861 589 R HN 0.590 nan 8.270 nan 0.000 0.433 590 D N 0.329 120.637 120.400 -0.154 0.000 2.224 590 D HA -0.074 4.565 4.640 -0.001 0.000 0.205 590 D C 0.536 176.772 176.300 -0.106 0.000 0.965 590 D CA 0.976 54.898 54.000 -0.131 0.000 0.852 590 D CB 0.159 40.893 40.800 -0.110 0.000 0.947 590 D HN 0.227 nan 8.370 nan 0.000 0.494 591 S N -0.293 115.355 115.700 -0.086 0.000 2.624 591 S HA 0.207 4.677 4.470 -0.001 0.000 0.263 591 S C 0.380 174.935 174.600 -0.074 0.000 1.287 591 S CA -0.682 57.475 58.200 -0.071 0.000 0.990 591 S CB 0.874 64.044 63.200 -0.051 0.000 0.950 591 S HN 0.106 nan 8.310 nan 0.000 0.561 592 L N 1.603 122.784 121.223 -0.071 0.000 3.048 592 L HA 0.308 4.648 4.340 -0.001 0.000 0.234 592 L C 1.485 178.322 176.870 -0.054 0.000 1.318 592 L CA -0.387 54.412 54.840 -0.069 0.000 1.109 592 L CB -0.651 41.356 42.059 -0.086 0.000 1.480 592 L HN 0.981 nan 8.230 nan 0.000 0.495 593 A N 0.837 123.639 122.820 -0.029 0.000 1.826 593 A HA 0.224 4.544 4.320 -0.001 0.000 0.214 593 A C 1.350 178.926 177.584 -0.012 0.000 1.212 593 A CA 1.102 53.126 52.037 -0.023 0.000 0.605 593 A CB -0.113 18.884 19.000 -0.006 0.000 0.861 593 A HN 0.470 nan 8.150 nan 0.000 0.447 594 A N -1.163 121.687 122.820 0.049 0.000 2.286 594 A HA 0.575 4.895 4.320 -0.001 0.000 0.286 594 A C -0.636 177.004 177.584 0.093 0.000 1.097 594 A CA -0.352 51.713 52.037 0.047 0.000 0.821 594 A CB 0.210 19.251 19.000 0.069 0.000 1.076 594 A HN 0.387 nan 8.150 nan 0.000 0.490 595 L N 1.840 123.046 121.223 -0.030 0.000 2.262 595 L HA 0.387 4.727 4.340 -0.001 0.000 0.288 595 L C -0.998 175.836 176.870 -0.061 0.000 1.035 595 L CA 0.233 55.043 54.840 -0.051 0.000 0.820 595 L CB 0.092 42.070 42.059 -0.135 0.000 1.204 595 L HN 0.599 nan 8.230 nan 0.000 0.424 596 Y N 1.853 122.100 120.300 -0.088 0.000 2.335 596 Y HA 0.619 5.169 4.550 -0.000 0.000 0.323 596 Y C 0.711 176.644 175.900 0.056 0.000 1.224 596 Y CA -0.755 57.330 58.100 -0.025 0.000 1.241 596 Y CB 1.243 39.681 38.460 -0.036 0.000 1.235 596 Y HN 0.619 nan 8.280 nan 0.000 0.492 597 A N 2.649 125.590 122.820 0.202 0.000 2.409 597 A HA 0.186 4.506 4.320 -0.001 0.000 0.262 597 A C 0.939 178.670 177.584 0.245 0.000 1.113 597 A CA -0.355 51.857 52.037 0.292 0.000 0.790 597 A CB 0.124 19.255 19.000 0.217 0.000 1.046 597 A HN 0.980 nan 8.150 nan 0.000 0.496 598 E N 1.598 121.961 120.200 0.272 0.000 2.001 598 E HA -0.089 4.261 4.350 -0.001 0.000 0.193 598 E C 0.486 176.973 176.600 -0.189 0.000 0.994 598 E CA 1.016 57.427 56.400 0.018 0.000 0.815 598 E CB 0.121 29.809 29.700 -0.020 0.000 0.770 598 E HN 0.850 nan 8.360 nan 0.000 0.453 599 E N 0.370 120.211 120.200 -0.598 0.000 2.299 599 E HA 0.108 4.457 4.350 -0.001 0.000 0.260 599 E C -1.141 175.354 176.600 -0.175 0.000 0.944 599 E CA -0.806 55.307 56.400 -0.478 0.000 0.815 599 E CB 1.262 30.559 29.700 -0.672 0.000 1.252 599 E HN -0.019 nan 8.360 nan 0.000 0.418 600 D N 0.095 120.468 120.400 -0.044 0.000 2.399 600 D HA 0.404 5.044 4.640 -0.001 0.000 0.241 600 D C 0.145 176.564 176.300 0.199 0.000 1.133 600 D CA 0.406 54.452 54.000 0.078 0.000 0.890 600 D CB 1.408 42.228 40.800 0.032 0.000 1.201 600 D HN 0.594 nan 8.370 nan 0.000 0.432 601 G N 0.285 109.197 108.800 0.187 0.000 2.348 601 G HA2 0.343 4.303 3.960 -0.001 0.000 0.296 601 G HA3 0.343 4.303 3.960 -0.001 0.000 0.296 601 G C -1.427 173.505 174.900 0.052 0.000 1.258 601 G CA -0.635 44.558 45.100 0.155 0.000 0.868 601 G HN 0.378 nan 8.290 nan 0.000 0.488 602 E N -1.488 118.705 120.200 -0.011 0.000 2.320 602 E HA 0.659 5.008 4.350 -0.001 0.000 0.264 602 E C -0.711 175.837 176.600 -0.086 0.000 0.923 602 E CA -0.620 55.756 56.400 -0.039 0.000 0.796 602 E CB 2.635 32.315 29.700 -0.034 0.000 1.262 602 E HN 0.353 nan 8.360 nan 0.000 0.428 603 V N 2.433 122.301 119.914 -0.076 0.000 2.465 603 V HA 0.419 4.539 4.120 -0.001 0.000 0.279 603 V C 0.544 176.583 176.094 -0.092 0.000 1.045 603 V CA 0.287 62.530 62.300 -0.096 0.000 0.938 603 V CB 1.043 32.822 31.823 -0.073 0.000 0.986 603 V HN 0.914 nan 8.190 nan 0.000 0.467 604 A N 4.973 127.725 122.820 -0.113 0.000 1.941 604 A HA 0.347 4.667 4.320 -0.001 0.000 0.214 604 A C 0.699 178.238 177.584 -0.075 0.000 1.368 604 A CA 0.500 52.481 52.037 -0.093 0.000 0.651 604 A CB 0.080 19.014 19.000 -0.110 0.000 1.064 604 A HN 0.686 nan 8.150 nan 0.000 0.492 605 K N -0.475 119.877 120.400 -0.081 0.000 2.324 605 K HA 0.613 4.933 4.320 -0.001 0.000 0.253 605 K C -1.436 175.130 176.600 -0.057 0.000 0.932 605 K CA -0.304 55.946 56.287 -0.061 0.000 0.799 605 K CB 2.670 35.136 32.500 -0.056 0.000 1.154 605 K HN -0.006 nan 8.250 nan 0.000 0.425 606 V N 1.925 121.812 119.914 -0.045 0.000 2.276 606 V HA 0.211 4.330 4.120 -0.001 0.000 0.268 606 V C -0.559 175.516 176.094 -0.033 0.000 1.032 606 V CA -0.823 61.453 62.300 -0.040 0.000 0.810 606 V CB 0.580 32.379 31.823 -0.040 0.000 1.060 606 V HN 0.739 nan 8.190 nan 0.000 0.446 607 D N 3.194 123.576 120.400 -0.030 0.000 2.451 607 D HA 0.523 5.163 4.640 -0.001 0.000 0.259 607 D C 1.446 177.729 176.300 -0.027 0.000 1.201 607 D CA 0.482 54.468 54.000 -0.024 0.000 1.028 607 D CB 1.843 42.631 40.800 -0.019 0.000 1.095 607 D HN 0.380 nan 8.370 nan 0.000 0.539 608 G N -0.509 108.277 108.800 -0.024 0.000 2.880 608 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.209 608 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.209 608 G C 0.711 175.584 174.900 -0.045 0.000 1.157 608 G CA 0.075 45.154 45.100 -0.035 0.000 0.779 608 G HN 0.554 nan 8.290 nan 0.000 0.539 609 N N -0.767 117.916 118.700 -0.028 0.000 2.257 609 N HA 0.140 4.880 4.740 -0.001 0.000 0.200 609 N C 0.420 175.923 175.510 -0.011 0.000 1.163 609 N CA -0.213 52.825 53.050 -0.020 0.000 0.891 609 N CB 0.979 39.465 38.487 -0.002 0.000 1.067 609 N HN 0.196 nan 8.380 nan 0.000 0.497 610 R N 1.246 121.739 120.500 -0.010 0.000 2.664 610 R HA 0.292 4.632 4.340 -0.001 0.000 0.260 610 R C -2.256 174.040 176.300 -0.006 0.000 1.062 610 R CA -0.449 55.654 56.100 0.005 0.000 0.902 610 R CB 0.823 31.128 30.300 0.009 0.000 1.258 610 R HN -0.091 nan 8.270 nan 0.000 0.465 611 I N 3.412 123.989 120.570 0.010 0.000 2.464 611 I HA 0.269 4.439 4.170 -0.001 0.000 0.277 611 I C -0.193 175.876 176.117 -0.081 0.000 1.040 611 I CA -1.174 60.113 61.300 -0.022 0.000 1.153 611 I CB 1.893 39.893 38.000 0.000 0.000 1.274 611 I HN 0.194 nan 8.210 nan 0.000 0.469 612 V N 6.839 126.682 119.914 -0.118 0.000 2.370 612 V HA 0.097 4.217 4.120 -0.001 0.000 0.257 612 V C 0.666 176.605 176.094 -0.257 0.000 1.064 612 V CA -0.454 61.728 62.300 -0.197 0.000 0.975 612 V CB 0.708 32.445 31.823 -0.144 0.000 1.067 612 V HN 0.578 nan 8.190 nan 0.000 0.485 613 V N 3.509 123.179 119.914 -0.408 0.000 3.036 613 V HA 0.632 4.752 4.120 -0.001 0.000 0.308 613 V C 0.091 175.875 176.094 -0.516 0.000 1.070 613 V CA -0.954 61.083 62.300 -0.438 0.000 1.056 613 V CB 1.397 32.898 31.823 -0.535 0.000 1.084 613 V HN 0.828 nan 8.190 nan 0.000 0.471 614 R N 2.160 122.419 120.500 -0.402 0.000 2.371 614 R HA 0.437 4.777 4.340 -0.001 0.000 0.312 614 R C -1.224 174.937 176.300 -0.232 0.000 0.980 614 R CA -0.546 55.368 56.100 -0.309 0.000 0.867 614 R CB 0.750 30.955 30.300 -0.158 0.000 1.163 614 R HN 0.889 nan 8.270 nan 0.000 0.492 615 Y N 1.548 121.808 120.300 -0.067 0.000 2.357 615 Y HA 0.002 4.552 4.550 -0.000 0.000 0.340 615 Y C 1.455 177.335 175.900 -0.034 0.000 1.260 615 Y CA -0.571 57.502 58.100 -0.045 0.000 1.425 615 Y CB 0.911 39.347 38.460 -0.040 0.000 1.326 615 Y HN 0.502 nan 8.280 nan 0.000 0.580 616 E N 1.060 121.361 120.200 0.169 0.000 2.516 616 E HA -0.105 4.245 4.350 -0.001 0.000 0.199 616 E C 0.296 176.933 176.600 0.061 0.000 1.069 616 E CA 0.659 57.105 56.400 0.078 0.000 0.876 616 E CB -0.196 29.535 29.700 0.052 0.000 0.843 616 E HN 0.733 nan 8.360 nan 0.000 0.530 617 D N -0.432 120.017 120.400 0.082 0.000 2.349 617 D HA 0.079 4.719 4.640 -0.001 0.000 0.224 617 D C 1.129 177.456 176.300 0.044 0.000 1.029 617 D CA 0.760 54.789 54.000 0.049 0.000 0.879 617 D CB 0.307 41.131 40.800 0.039 0.000 0.906 617 D HN 0.231 nan 8.370 nan 0.000 0.528 618 G N 0.458 109.287 108.800 0.049 0.000 2.131 618 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.223 618 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.223 618 G C 0.081 174.996 174.900 0.024 0.000 0.990 618 G CA -0.524 44.592 45.100 0.026 0.000 0.671 618 G HN 0.335 nan 8.290 nan 0.000 0.521 619 R N -0.607 119.925 120.500 0.053 0.000 2.778 619 R HA 0.843 5.183 4.340 -0.001 0.000 0.277 619 R C -0.168 176.114 176.300 -0.030 0.000 0.977 619 R CA -0.905 55.220 56.100 0.042 0.000 0.950 619 R CB 1.527 31.891 30.300 0.107 0.000 1.165 619 R HN 0.308 nan 8.270 nan 0.000 0.474 620 L N -0.325 120.840 121.223 -0.097 0.000 2.436 620 L HA 0.749 5.089 4.340 -0.001 0.000 0.268 620 L C -0.851 175.877 176.870 -0.237 0.000 0.974 620 L CA -1.241 53.459 54.840 -0.233 0.000 0.826 620 L CB 1.932 43.883 42.059 -0.181 0.000 1.291 620 L HN 0.248 nan 8.230 nan 0.000 0.406 621 V N 0.397 120.069 119.914 -0.403 0.000 2.680 621 V HA 0.421 4.541 4.120 -0.001 0.000 0.309 621 V C -0.249 175.592 176.094 -0.421 0.000 1.052 621 V CA -0.587 61.502 62.300 -0.351 0.000 0.908 621 V CB 2.029 33.627 31.823 -0.375 0.000 1.001 621 V HN 0.895 nan 8.190 nan 0.000 0.431 622 E N 3.054 123.131 120.200 -0.205 0.000 2.152 622 E HA 0.254 4.603 4.350 -0.001 0.000 0.285 622 E C -1.411 175.217 176.600 0.047 0.000 1.043 622 E CA -0.366 55.969 56.400 -0.109 0.000 0.839 622 E CB 0.568 30.246 29.700 -0.036 0.000 1.069 622 E HN 0.743 nan 8.360 nan 0.000 0.399 623 Y N 5.928 126.201 120.300 -0.046 0.000 2.700 623 Y HA 0.261 4.811 4.550 -0.000 0.000 0.333 623 Y C -1.962 173.914 175.900 -0.041 0.000 1.036 623 Y CA -2.877 55.202 58.100 -0.036 0.000 1.287 623 Y CB 1.095 39.532 38.460 -0.037 0.000 1.132 623 Y HN 0.480 nan 8.280 nan 0.000 0.510 624 P HA 0.043 nan 4.420 nan 0.000 0.269 624 P C -0.936 176.359 177.300 -0.007 0.000 1.215 624 P CA 0.139 63.264 63.100 0.042 0.000 0.780 624 P CB 0.823 32.542 31.700 0.032 0.000 0.898 625 L N 2.780 123.986 121.223 -0.029 0.000 2.325 625 L HA 0.417 4.757 4.340 -0.001 0.000 0.281 625 L C 0.730 177.546 176.870 -0.089 0.000 1.004 625 L CA -0.851 53.945 54.840 -0.074 0.000 0.823 625 L CB 1.221 43.234 42.059 -0.078 0.000 1.236 625 L HN 0.153 nan 8.230 nan 0.000 0.415 626 R N 3.838 124.249 120.500 -0.149 0.000 2.637 626 R HA -0.051 4.289 4.340 -0.001 0.000 0.331 626 R C 1.090 177.353 176.300 -0.062 0.000 1.166 626 R CA 0.034 56.030 56.100 -0.173 0.000 0.993 626 R CB -0.167 29.894 30.300 -0.398 0.000 1.012 626 R HN 0.711 nan 8.270 nan 0.000 0.461 627 R N 1.701 122.207 120.500 0.009 0.000 2.292 627 R HA -0.167 4.173 4.340 -0.001 0.000 0.216 627 R C 0.025 176.126 176.300 -0.332 0.000 1.071 627 R CA 1.385 57.398 56.100 -0.145 0.000 0.838 627 R CB -0.267 30.044 30.300 0.017 0.000 0.800 627 R HN 0.225 nan 8.270 nan 0.000 0.434 628 F N -0.197 119.854 119.950 0.169 0.000 2.716 628 F HA 0.414 4.941 4.527 -0.001 0.000 0.354 628 F C -1.119 174.771 175.800 0.151 0.000 1.168 628 F CA -0.962 57.116 58.000 0.130 0.000 1.045 628 F CB 1.515 40.541 39.000 0.044 0.000 1.311 628 F HN 0.040 nan 8.300 nan 0.000 0.477 629 Y N 0.846 121.245 120.300 0.165 0.000 2.528 629 Y HA 0.610 5.160 4.550 -0.001 0.000 0.335 629 Y C 0.181 176.166 175.900 0.141 0.000 1.093 629 Y CA -1.337 56.830 58.100 0.112 0.000 1.134 629 Y CB 1.539 40.029 38.460 0.049 0.000 1.253 629 Y HN 0.393 nan 8.280 nan 0.000 0.478 630 R N 1.573 122.234 120.500 0.269 0.000 2.196 630 R HA 0.383 4.723 4.340 -0.001 0.000 0.340 630 R C -0.421 175.988 176.300 0.182 0.000 1.043 630 R CA -0.233 56.008 56.100 0.236 0.000 0.883 630 R CB 0.248 30.717 30.300 0.282 0.000 1.078 630 R HN 0.686 nan 8.270 nan 0.000 0.462 631 S N 3.296 119.073 115.700 0.129 0.000 2.585 631 S HA 0.087 4.556 4.470 -0.001 0.000 0.273 631 S C 0.744 175.342 174.600 -0.004 0.000 1.339 631 S CA -0.599 57.624 58.200 0.040 0.000 1.028 631 S CB 1.062 64.266 63.200 0.007 0.000 0.906 631 S HN 0.733 nan 8.310 nan 0.000 0.528 632 N N 1.493 120.098 118.700 -0.158 0.000 2.091 632 N HA -0.122 4.618 4.740 -0.001 0.000 0.193 632 N C 1.391 176.926 175.510 0.041 0.000 1.021 632 N CA 1.490 54.334 53.050 -0.343 0.000 0.862 632 N CB -0.422 37.324 38.487 -1.236 0.000 1.018 632 N HN 0.646 nan 8.380 nan 0.000 0.429 633 Q N -0.630 119.172 119.800 0.004 0.000 2.444 633 Q HA 0.240 4.580 4.340 -0.001 0.000 0.206 633 Q C 0.767 176.828 176.000 0.101 0.000 0.948 633 Q CA 0.401 56.277 55.803 0.121 0.000 0.946 633 Q CB -0.258 28.435 28.738 -0.075 0.000 1.027 633 Q HN 0.403 nan 8.270 nan 0.000 0.513 634 G N 1.618 110.475 108.800 0.094 0.000 2.182 634 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.248 634 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.248 634 G C 0.191 175.186 174.900 0.158 0.000 1.042 634 G CA 0.530 45.697 45.100 0.111 0.000 0.775 634 G HN 0.431 nan 8.290 nan 0.000 0.501 635 T N -2.129 112.500 114.554 0.125 0.000 2.943 635 T HA 0.850 5.199 4.350 -0.001 0.000 0.284 635 T C 0.423 175.224 174.700 0.168 0.000 1.015 635 T CA 0.108 62.318 62.100 0.183 0.000 1.042 635 T CB 2.345 71.243 68.868 0.049 0.000 1.055 635 T HN 1.682 nan 8.240 nan 0.000 0.500 636 A N 1.622 124.548 122.820 0.176 0.000 2.327 636 A HA 0.655 4.975 4.320 -0.001 0.000 0.283 636 A C -0.502 177.178 177.584 0.160 0.000 1.127 636 A CA -0.793 51.373 52.037 0.215 0.000 0.810 636 A CB -0.273 18.889 19.000 0.270 0.000 1.066 636 A HN 0.754 nan 8.150 nan 0.000 0.492 637 L N 3.768 125.094 121.223 0.171 0.000 2.401 637 L HA 0.369 4.709 4.340 -0.001 0.000 0.263 637 L C -0.317 176.565 176.870 0.021 0.000 1.004 637 L CA -0.128 54.755 54.840 0.073 0.000 0.881 637 L CB 1.301 43.387 42.059 0.046 0.000 1.219 637 L HN 0.797 nan 8.230 nan 0.000 0.441 638 D N 2.736 123.102 120.400 -0.058 0.000 2.498 638 D HA 0.287 4.927 4.640 -0.001 0.000 0.247 638 D C -1.139 175.061 176.300 -0.167 0.000 1.070 638 D CA -0.587 53.286 54.000 -0.211 0.000 0.842 638 D CB 1.926 42.453 40.800 -0.454 0.000 1.361 638 D HN 0.466 nan 8.370 nan 0.000 0.484 639 Q N 2.829 122.521 119.800 -0.179 0.000 2.398 639 Q HA 0.356 4.696 4.340 -0.001 0.000 0.251 639 Q C -0.452 175.463 176.000 -0.141 0.000 0.999 639 Q CA -0.570 55.149 55.803 -0.140 0.000 0.874 639 Q CB 1.302 29.963 28.738 -0.127 0.000 1.215 639 Q HN 0.201 nan 8.270 nan 0.000 0.470 640 R N 3.045 123.471 120.500 -0.123 0.000 2.220 640 R HA 0.272 4.612 4.340 -0.001 0.000 0.340 640 R C -2.444 173.801 176.300 -0.092 0.000 1.076 640 R CA -1.850 54.185 56.100 -0.107 0.000 0.920 640 R CB -0.199 30.047 30.300 -0.089 0.000 1.062 640 R HN 0.337 nan 8.270 nan 0.000 0.469 641 P HA -0.037 nan 4.420 nan 0.000 0.264 641 P C -0.049 177.207 177.300 -0.074 0.000 1.183 641 P CA 0.058 63.115 63.100 -0.072 0.000 0.763 641 P CB 0.708 32.373 31.700 -0.057 0.000 0.807 642 R N 1.293 121.743 120.500 -0.084 0.000 2.549 642 R HA 0.239 4.578 4.340 -0.001 0.000 0.344 642 R C -0.545 175.707 176.300 -0.080 0.000 0.979 642 R CA -0.060 55.988 56.100 -0.086 0.000 1.140 642 R CB 0.060 30.293 30.300 -0.111 0.000 1.377 642 R HN 0.251 nan 8.270 nan 0.000 0.541 643 V N 2.235 122.107 119.914 -0.071 0.000 2.459 643 V HA 0.350 4.470 4.120 -0.001 0.000 0.295 643 V C 0.778 176.842 176.094 -0.051 0.000 1.029 643 V CA -1.155 61.108 62.300 -0.062 0.000 0.874 643 V CB 2.075 33.861 31.823 -0.061 0.000 0.985 643 V HN -0.069 nan 8.190 nan 0.000 0.438 644 V N 2.977 122.863 119.914 -0.046 0.000 3.264 644 V HA 0.553 4.673 4.120 -0.001 0.000 0.304 644 V C 0.613 176.683 176.094 -0.040 0.000 1.086 644 V CA -0.739 61.537 62.300 -0.040 0.000 1.090 644 V CB 1.159 32.962 31.823 -0.035 0.000 1.112 644 V HN 0.821 nan 8.190 nan 0.000 0.472 645 V N -0.410 119.482 119.914 -0.037 0.000 2.673 645 V HA 0.569 4.689 4.120 -0.001 0.000 0.303 645 V C 0.998 177.069 176.094 -0.038 0.000 1.046 645 V CA 0.039 62.316 62.300 -0.039 0.000 1.126 645 V CB -0.480 31.322 31.823 -0.035 0.000 0.934 645 V HN 2.477 nan 8.190 nan 0.000 0.487 646 G N 2.563 111.337 108.800 -0.044 0.000 2.392 646 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.256 646 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.256 646 G C -0.394 174.485 174.900 -0.035 0.000 0.920 646 G CA 0.343 45.419 45.100 -0.040 0.000 1.316 646 G HN 1.231 nan 8.290 nan 0.000 0.416 647 Q N 0.362 120.139 119.800 -0.037 0.000 2.268 647 Q HA 0.306 4.645 4.340 -0.001 0.000 0.266 647 Q C 0.400 176.386 176.000 -0.023 0.000 1.006 647 Q CA -0.717 55.068 55.803 -0.030 0.000 0.824 647 Q CB 1.198 29.916 28.738 -0.034 0.000 1.306 647 Q HN 0.710 nan 8.270 nan 0.000 0.424 648 R N 1.351 121.843 120.500 -0.015 0.000 2.404 648 R HA 0.263 4.602 4.340 -0.001 0.000 0.315 648 R C 0.327 176.629 176.300 0.003 0.000 1.032 648 R CA -0.179 55.920 56.100 -0.002 0.000 0.992 648 R CB -0.276 30.024 30.300 -0.000 0.000 0.959 648 R HN 0.298 nan 8.270 nan 0.000 0.428 649 V N 0.968 120.895 119.914 0.021 0.000 2.483 649 V HA 0.461 4.581 4.120 -0.001 0.000 0.295 649 V C 0.448 176.568 176.094 0.044 0.000 1.035 649 V CA -1.386 60.930 62.300 0.027 0.000 0.896 649 V CB 1.482 33.330 31.823 0.041 0.000 0.986 649 V HN 0.762 nan 8.190 nan 0.000 0.447 650 R N 2.358 122.874 120.500 0.026 0.000 2.539 650 R HA 0.399 4.739 4.340 -0.001 0.000 0.275 650 R C -0.085 176.242 176.300 0.045 0.000 1.077 650 R CA -0.753 55.364 56.100 0.028 0.000 1.097 650 R CB 0.859 31.168 30.300 0.014 0.000 1.018 650 R HN 0.767 nan 8.270 nan 0.000 0.483 651 K N 1.484 121.907 120.400 0.037 0.000 2.419 651 K HA 0.025 4.345 4.320 -0.001 0.000 0.282 651 K C 0.241 176.885 176.600 0.073 0.000 1.056 651 K CA 1.270 57.580 56.287 0.038 0.000 1.035 651 K CB 0.024 32.526 32.500 0.003 0.000 0.921 651 K HN 0.947 nan 8.250 nan 0.000 0.472 652 G N 3.282 112.158 108.800 0.127 0.000 2.203 652 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.231 652 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.231 652 G C -0.621 174.452 174.900 0.288 0.000 1.058 652 G CA -0.075 45.176 45.100 0.252 0.000 0.781 652 G HN 0.691 nan 8.290 nan 0.000 0.496 653 D N 0.079 120.523 120.400 0.074 0.000 2.248 653 D HA 0.538 5.178 4.640 -0.001 0.000 0.246 653 D C 1.181 177.239 176.300 -0.404 0.000 1.027 653 D CA -0.733 53.187 54.000 -0.132 0.000 0.853 653 D CB 1.303 42.059 40.800 -0.074 0.000 1.243 653 D HN 0.666 nan 8.370 nan 0.000 0.462 654 L N 1.427 122.256 121.223 -0.656 0.000 2.477 654 L HA 0.262 4.601 4.340 -0.001 0.000 0.272 654 L C 0.371 177.045 176.870 -0.327 0.000 1.157 654 L CA -0.264 54.162 54.840 -0.689 0.000 0.889 654 L CB 0.371 42.044 42.059 -0.644 0.000 1.158 654 L HN 0.370 nan 8.230 nan 0.000 0.473 655 L N 3.916 124.996 121.223 -0.238 0.000 2.253 655 L HA 0.471 4.811 4.340 -0.001 0.000 0.205 655 L C 1.096 177.900 176.870 -0.111 0.000 1.078 655 L CA 0.648 55.421 54.840 -0.113 0.000 0.805 655 L CB -0.240 41.814 42.059 -0.008 0.000 0.963 655 L HN 0.870 nan 8.230 nan 0.000 0.459 656 A N -0.980 121.758 122.820 -0.136 0.000 2.449 656 A HA 0.528 4.848 4.320 -0.001 0.000 0.302 656 A C -1.503 175.997 177.584 -0.139 0.000 1.048 656 A CA -0.616 51.349 52.037 -0.120 0.000 0.708 656 A CB 1.352 20.295 19.000 -0.094 0.000 1.274 656 A HN -0.077 nan 8.150 nan 0.000 0.410 657 D N 0.956 121.283 120.400 -0.122 0.000 2.225 657 D HA 0.494 5.134 4.640 -0.001 0.000 0.249 657 D C 0.939 177.188 176.300 -0.085 0.000 1.052 657 D CA 0.633 54.567 54.000 -0.110 0.000 0.909 657 D CB 1.813 42.552 40.800 -0.102 0.000 1.186 657 D HN 0.737 nan 8.370 nan 0.000 0.431 658 G N 1.737 110.501 108.800 -0.060 0.000 2.647 658 G HA2 0.083 4.042 3.960 -0.001 0.000 0.271 658 G HA3 0.083 4.042 3.960 -0.001 0.000 0.271 658 G C -1.555 173.316 174.900 -0.048 0.000 1.300 658 G CA -0.673 44.398 45.100 -0.049 0.000 0.997 658 G HN 0.297 nan 8.290 nan 0.000 0.533 659 P HA -0.090 nan 4.420 nan 0.000 0.216 659 P C 1.049 178.337 177.300 -0.021 0.000 1.154 659 P CA 2.513 65.598 63.100 -0.026 0.000 0.865 659 P CB 0.232 31.922 31.700 -0.016 0.000 0.789 660 A N -1.739 121.069 122.820 -0.018 0.000 2.616 660 A HA 0.350 4.670 4.320 -0.001 0.000 0.294 660 A C 0.267 177.847 177.584 -0.007 0.000 1.091 660 A CA -0.124 51.905 52.037 -0.014 0.000 0.971 660 A CB -0.248 18.749 19.000 -0.004 0.000 1.222 660 A HN 0.159 nan 8.150 nan 0.000 0.521 661 S N -0.854 114.837 115.700 -0.016 0.000 2.489 661 S HA 0.445 4.915 4.470 -0.001 0.000 0.291 661 S C 0.582 175.164 174.600 -0.030 0.000 1.151 661 S CA -0.097 58.099 58.200 -0.008 0.000 1.082 661 S CB 1.946 65.136 63.200 -0.015 0.000 1.019 661 S HN 0.445 nan 8.310 nan 0.000 0.492 662 E N 2.474 122.671 120.200 -0.005 0.000 2.021 662 E HA -0.054 4.296 4.350 -0.001 0.000 0.189 662 E C -0.361 176.188 176.600 -0.086 0.000 0.980 662 E CA 0.800 57.190 56.400 -0.018 0.000 0.803 662 E CB 0.117 29.853 29.700 0.060 0.000 0.766 662 E HN 0.706 nan 8.360 nan 0.000 0.449 663 N N -1.290 117.307 118.700 -0.171 0.000 2.751 663 N HA 0.233 4.973 4.740 -0.001 0.000 0.234 663 N C -0.569 174.598 175.510 -0.571 0.000 1.403 663 N CA 0.592 53.429 53.050 -0.354 0.000 0.747 663 N CB 1.441 39.688 38.487 -0.399 0.000 1.326 663 N HN 0.339 nan 8.380 nan 0.000 0.532 664 G N 0.310 108.912 108.800 -0.331 0.000 2.228 664 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.270 664 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.270 664 G C 0.019 174.836 174.900 -0.138 0.000 0.976 664 G CA 0.388 45.340 45.100 -0.247 0.000 0.636 664 G HN 0.451 nan 8.290 nan 0.000 0.542 665 F N -0.286 119.650 119.950 -0.024 0.000 2.399 665 F HA 0.610 5.137 4.527 -0.000 0.000 0.334 665 F C 0.682 176.452 175.800 -0.051 0.000 1.097 665 F CA -1.502 56.472 58.000 -0.043 0.000 1.076 665 F CB 1.292 40.248 39.000 -0.075 0.000 1.162 665 F HN 0.042 nan 8.300 nan 0.000 0.495 666 L N 3.440 124.765 121.223 0.170 0.000 2.455 666 L HA 0.443 4.782 4.340 -0.001 0.000 0.272 666 L C -0.278 176.611 176.870 0.033 0.000 1.174 666 L CA 0.087 54.966 54.840 0.066 0.000 0.869 666 L CB 0.093 42.165 42.059 0.022 0.000 1.130 666 L HN 0.655 nan 8.230 nan 0.000 0.474 667 A N 6.177 129.022 122.820 0.043 0.000 2.414 667 A HA 0.685 5.004 4.320 -0.001 0.000 0.286 667 A C -1.709 175.934 177.584 0.097 0.000 1.073 667 A CA -0.532 51.539 52.037 0.057 0.000 0.727 667 A CB 0.852 19.876 19.000 0.041 0.000 1.215 667 A HN 0.638 nan 8.150 nan 0.000 0.430 668 L N 0.694 122.055 121.223 0.230 0.000 2.490 668 L HA 0.863 5.203 4.340 -0.001 0.000 0.256 668 L C 0.286 177.272 176.870 0.194 0.000 1.089 668 L CA -0.050 54.895 54.840 0.174 0.000 0.916 668 L CB 0.439 42.586 42.059 0.146 0.000 1.188 668 L HN 1.947 nan 8.230 nan 0.000 0.476 669 G N 1.243 110.048 108.800 0.008 0.000 2.541 669 G HA2 0.126 4.085 3.960 -0.001 0.000 0.686 669 G HA3 0.126 4.085 3.960 -0.001 0.000 0.686 669 G C -1.494 173.364 174.900 -0.071 0.000 1.286 669 G CA -0.822 44.170 45.100 -0.181 0.000 0.894 669 G HN 0.656 nan 8.290 nan 0.000 0.575 670 Q N -0.757 118.962 119.800 -0.136 0.000 2.451 670 Q HA 0.449 4.789 4.340 -0.001 0.000 0.281 670 Q C -0.500 175.712 176.000 0.353 0.000 1.099 670 Q CA -1.071 54.740 55.803 0.014 0.000 0.806 670 Q CB 1.949 30.247 28.738 -0.733 0.000 1.419 670 Q HN 0.680 nan 8.270 nan 0.000 0.427 671 N N 0.698 119.658 118.700 0.434 0.000 2.405 671 N HA 0.296 5.036 4.740 -0.001 0.000 0.260 671 N C -0.536 175.251 175.510 0.461 0.000 1.152 671 N CA -0.321 52.996 53.050 0.445 0.000 0.948 671 N CB 0.863 39.559 38.487 0.349 0.000 1.111 671 N HN 0.342 nan 8.380 nan 0.000 0.485 672 V N 0.479 120.592 119.914 0.333 0.000 2.876 672 V HA 0.458 4.578 4.120 -0.001 0.000 0.312 672 V C -0.059 176.069 176.094 0.057 0.000 1.085 672 V CA -1.323 61.110 62.300 0.221 0.000 0.945 672 V CB 1.647 33.591 31.823 0.201 0.000 1.017 672 V HN 0.608 nan 8.190 nan 0.000 0.428 673 L N 3.888 125.072 121.223 -0.066 0.000 2.499 673 L HA 0.556 4.896 4.340 -0.001 0.000 0.273 673 L C -0.334 176.481 176.870 -0.091 0.000 1.195 673 L CA 0.299 55.036 54.840 -0.172 0.000 0.882 673 L CB 1.150 43.003 42.059 -0.342 0.000 1.133 673 L HN 0.852 nan 8.230 nan 0.000 0.483 674 V N 5.514 125.392 119.914 -0.061 0.000 2.733 674 V HA 0.745 4.865 4.120 -0.001 0.000 0.306 674 V C -0.398 175.689 176.094 -0.011 0.000 1.084 674 V CA -0.183 62.099 62.300 -0.029 0.000 0.905 674 V CB 1.948 33.768 31.823 -0.005 0.000 1.010 674 V HN 0.934 nan 8.190 nan 0.000 0.424 675 A N 7.036 129.855 122.820 -0.000 0.000 2.274 675 A HA 0.658 4.978 4.320 -0.001 0.000 0.309 675 A C -0.022 177.586 177.584 0.041 0.000 1.226 675 A CA -0.444 51.609 52.037 0.027 0.000 0.853 675 A CB 0.688 19.715 19.000 0.044 0.000 1.146 675 A HN 1.101 nan 8.150 nan 0.000 0.518 676 I N 5.835 126.433 120.570 0.046 0.000 2.234 676 I HA 0.306 4.475 4.170 -0.001 0.000 0.287 676 I C -0.439 175.710 176.117 0.053 0.000 1.131 676 I CA 0.004 61.331 61.300 0.045 0.000 1.335 676 I CB -0.840 37.184 38.000 0.040 0.000 1.511 676 I HN 0.750 nan 8.210 nan 0.000 0.588 677 M N 6.028 125.672 119.600 0.073 0.000 2.667 677 M HA 0.698 5.178 4.480 -0.001 0.000 0.286 677 M C -3.093 173.271 176.300 0.106 0.000 1.270 677 M CA -1.871 53.479 55.300 0.084 0.000 0.826 677 M CB 1.947 34.611 32.600 0.106 0.000 1.743 677 M HN -0.051 nan 8.290 nan 0.000 0.460 678 P HA 0.413 nan 4.420 nan 0.000 0.296 678 P C -1.608 175.779 177.300 0.146 0.000 1.306 678 P CA -0.081 63.069 63.100 0.084 0.000 0.818 678 P CB 1.348 33.049 31.700 0.001 0.000 0.969 679 F N 1.887 121.859 119.950 0.037 0.000 2.450 679 F HA 0.216 4.743 4.527 -0.001 0.000 0.361 679 F C 1.790 177.584 175.800 -0.009 0.000 1.092 679 F CA 0.002 58.047 58.000 0.075 0.000 1.105 679 F CB 0.299 39.415 39.000 0.195 0.000 1.458 679 F HN 0.245 nan 8.300 nan 0.000 0.496 680 D N 0.297 120.630 120.400 -0.112 0.000 2.327 680 D HA -0.084 4.555 4.640 -0.001 0.000 0.205 680 D C 1.453 177.580 176.300 -0.288 0.000 1.036 680 D CA 2.648 56.476 54.000 -0.287 0.000 0.897 680 D CB -0.549 39.990 40.800 -0.435 0.000 1.117 680 D HN 0.608 nan 8.370 nan 0.000 0.471 681 G N -2.725 105.749 108.800 -0.544 0.000 3.738 681 G HA2 0.023 3.983 3.960 -0.001 0.000 0.241 681 G HA3 0.023 3.983 3.960 -0.001 0.000 0.241 681 G C 0.450 175.354 174.900 0.007 0.000 1.068 681 G CA -0.252 44.763 45.100 -0.143 0.000 0.899 681 G HN 0.106 nan 8.290 nan 0.000 0.519 682 Y N 2.678 123.122 120.300 0.241 0.000 2.070 682 Y HA -0.094 4.456 4.550 -0.000 0.000 0.280 682 Y C 1.453 177.460 175.900 0.179 0.000 1.148 682 Y CA 0.888 59.099 58.100 0.184 0.000 1.125 682 Y CB -0.569 37.987 38.460 0.160 0.000 0.975 682 Y HN 0.308 nan 8.280 nan 0.000 0.492 683 N N 0.610 119.490 118.700 0.300 0.000 2.663 683 N HA 0.058 4.798 4.740 -0.001 0.000 0.250 683 N C -0.742 174.876 175.510 0.178 0.000 1.129 683 N CA -0.186 52.985 53.050 0.201 0.000 0.995 683 N CB -0.651 37.922 38.487 0.144 0.000 1.324 683 N HN 0.006 nan 8.380 nan 0.000 0.512 684 F N 1.512 121.494 119.950 0.053 0.000 2.299 684 F HA 0.123 4.649 4.527 -0.001 0.000 0.293 684 F C 2.041 177.857 175.800 0.027 0.000 1.252 684 F CA -0.651 57.367 58.000 0.029 0.000 1.160 684 F CB 0.675 39.688 39.000 0.021 0.000 1.405 684 F HN 0.537 nan 8.300 nan 0.000 0.517 685 E N -0.391 119.758 120.200 -0.084 0.000 2.113 685 E HA -0.298 4.052 4.350 -0.001 0.000 0.210 685 E C 0.788 177.424 176.600 0.060 0.000 1.040 685 E CA 2.359 58.738 56.400 -0.036 0.000 0.847 685 E CB -0.343 29.368 29.700 0.018 0.000 0.755 685 E HN 0.541 nan 8.360 nan 0.000 0.459 686 D N 0.313 120.793 120.400 0.133 0.000 2.423 686 D HA 0.244 4.884 4.640 -0.001 0.000 0.208 686 D C 0.183 176.544 176.300 0.102 0.000 1.068 686 D CA 0.572 54.631 54.000 0.098 0.000 0.860 686 D CB 0.250 41.104 40.800 0.091 0.000 0.992 686 D HN 0.306 nan 8.370 nan 0.000 0.504 687 A N 0.845 123.757 122.820 0.153 0.000 2.425 687 A HA 0.546 4.866 4.320 -0.001 0.000 0.249 687 A C 0.113 177.769 177.584 0.119 0.000 1.084 687 A CA 0.065 52.187 52.037 0.142 0.000 0.781 687 A CB 0.213 19.334 19.000 0.201 0.000 1.019 687 A HN 0.103 nan 8.150 nan 0.000 0.490 688 I N 1.106 121.726 120.570 0.084 0.000 2.934 688 I HA 0.427 4.597 4.170 -0.001 0.000 0.306 688 I C -0.259 175.881 176.117 0.038 0.000 1.110 688 I CA -0.978 60.356 61.300 0.057 0.000 1.019 688 I CB 2.137 40.149 38.000 0.019 0.000 1.227 688 I HN 0.395 nan 8.210 nan 0.000 0.434 689 V N 3.611 123.533 119.914 0.012 0.000 3.336 689 V HA 0.556 4.675 4.120 -0.001 0.000 0.314 689 V C -0.268 175.770 176.094 -0.093 0.000 1.088 689 V CA -0.688 61.587 62.300 -0.041 0.000 1.033 689 V CB 2.236 34.010 31.823 -0.082 0.000 1.181 689 V HN 0.588 nan 8.190 nan 0.000 0.449 690 I N 0.145 120.637 120.570 -0.131 0.000 2.785 690 I HA 0.380 4.550 4.170 -0.001 0.000 0.293 690 I C -0.784 175.247 176.117 -0.143 0.000 1.446 690 I CA -0.147 61.071 61.300 -0.136 0.000 1.028 690 I CB 2.270 40.195 38.000 -0.124 0.000 1.349 690 I HN 0.657 nan 8.210 nan 0.000 0.438 691 S N 4.771 120.393 115.700 -0.130 0.000 2.475 691 S HA 0.191 4.661 4.470 -0.001 0.000 0.281 691 S C 0.976 175.523 174.600 -0.089 0.000 1.198 691 S CA -0.127 58.003 58.200 -0.117 0.000 1.063 691 S CB 1.225 64.360 63.200 -0.110 0.000 0.972 691 S HN 0.848 nan 8.310 nan 0.000 0.486 692 E N 2.942 123.093 120.200 -0.081 0.000 2.171 692 E HA -0.260 4.090 4.350 -0.001 0.000 0.197 692 E C 1.414 177.988 176.600 -0.042 0.000 0.997 692 E CA 1.663 58.030 56.400 -0.055 0.000 0.810 692 E CB -0.069 29.599 29.700 -0.052 0.000 0.738 692 E HN 0.857 nan 8.360 nan 0.000 0.467 693 E N 0.396 120.562 120.200 -0.057 0.000 2.209 693 E HA -0.161 4.188 4.350 -0.001 0.000 0.196 693 E C 1.944 178.505 176.600 -0.066 0.000 0.993 693 E CA 0.955 57.318 56.400 -0.061 0.000 0.819 693 E CB -0.144 29.509 29.700 -0.079 0.000 0.745 693 E HN 0.398 nan 8.360 nan 0.000 0.477 694 L N -0.133 121.055 121.223 -0.058 0.000 2.291 694 L HA -0.077 4.263 4.340 -0.001 0.000 0.214 694 L C 2.282 179.217 176.870 0.108 0.000 1.120 694 L CA 0.445 55.283 54.840 -0.003 0.000 0.799 694 L CB -0.353 41.722 42.059 0.027 0.000 0.925 694 L HN 0.258 nan 8.230 nan 0.000 0.446 695 L N -0.381 120.878 121.223 0.059 0.000 2.162 695 L HA -0.053 4.287 4.340 -0.001 0.000 0.205 695 L C 2.483 179.388 176.870 0.058 0.000 1.086 695 L CA 1.307 56.190 54.840 0.072 0.000 0.778 695 L CB -0.280 41.800 42.059 0.036 0.000 0.928 695 L HN 0.023 nan 8.230 nan 0.000 0.446 696 K N 0.830 121.248 120.400 0.029 0.000 1.988 696 K HA -0.207 4.112 4.320 -0.001 0.000 0.221 696 K C 0.546 177.172 176.600 0.043 0.000 1.053 696 K CA 1.884 58.184 56.287 0.022 0.000 0.959 696 K CB -0.648 31.852 32.500 -0.001 0.000 0.728 696 K HN 0.426 nan 8.250 nan 0.000 0.447 697 R N 2.478 123.008 120.500 0.050 0.000 2.347 697 R HA 0.102 4.442 4.340 -0.001 0.000 0.304 697 R C -1.058 175.345 176.300 0.170 0.000 1.072 697 R CA -0.359 55.800 56.100 0.099 0.000 0.980 697 R CB 0.239 30.602 30.300 0.104 0.000 0.986 697 R HN -0.028 nan 8.270 nan 0.000 0.448 698 D N 3.713 124.196 120.400 0.138 0.000 2.483 698 D HA -0.055 4.585 4.640 -0.001 0.000 0.261 698 D C -0.230 176.176 176.300 0.178 0.000 1.318 698 D CA 0.446 54.523 54.000 0.130 0.000 1.201 698 D CB -0.260 40.578 40.800 0.064 0.000 1.127 698 D HN 0.585 nan 8.370 nan 0.000 0.519 699 F N 0.251 120.222 119.950 0.035 0.000 2.374 699 F HA 0.057 4.584 4.527 -0.001 0.000 0.291 699 F C 0.393 176.062 175.800 -0.219 0.000 1.084 699 F CA 0.290 58.292 58.000 0.005 0.000 1.413 699 F CB 0.486 39.604 39.000 0.196 0.000 1.099 699 F HN 0.135 nan 8.300 nan 0.000 0.534 700 Y N 0.569 120.944 120.300 0.126 0.000 2.787 700 Y HA 0.300 4.850 4.550 -0.001 0.000 0.352 700 Y C -0.503 175.392 175.900 -0.008 0.000 1.027 700 Y CA -1.025 57.087 58.100 0.020 0.000 1.219 700 Y CB 0.656 39.134 38.460 0.030 0.000 1.110 700 Y HN -0.203 nan 8.280 nan 0.000 0.614 701 T N -1.315 113.227 114.554 -0.020 0.000 2.916 701 T HA 0.777 5.127 4.350 -0.001 0.000 0.298 701 T C -0.370 174.283 174.700 -0.078 0.000 1.031 701 T CA -0.967 61.117 62.100 -0.027 0.000 0.993 701 T CB 1.922 70.783 68.868 -0.011 0.000 1.045 701 T HN 0.327 nan 8.240 nan 0.000 0.454 702 S N 1.323 116.965 115.700 -0.096 0.000 2.588 702 S HA 0.805 5.275 4.470 -0.001 0.000 0.275 702 S C -1.140 173.358 174.600 -0.169 0.000 1.130 702 S CA -1.104 57.013 58.200 -0.138 0.000 0.855 702 S CB 0.905 63.994 63.200 -0.186 0.000 1.116 702 S HN 0.847 nan 8.310 nan 0.000 0.472 703 I N 0.762 121.250 120.570 -0.138 0.000 2.412 703 I HA 0.674 4.844 4.170 -0.001 0.000 0.296 703 I C -0.594 175.490 176.117 -0.055 0.000 0.987 703 I CA -0.694 60.560 61.300 -0.078 0.000 1.180 703 I CB 0.854 38.862 38.000 0.015 0.000 1.340 703 I HN 0.631 nan 8.210 nan 0.000 0.455 704 H N 5.577 124.689 119.070 0.070 0.000 2.744 704 H HA 0.664 5.220 4.556 -0.001 0.000 0.339 704 H C -0.995 174.383 175.328 0.085 0.000 1.004 704 H CA -0.936 55.173 56.048 0.102 0.000 1.257 704 H CB 1.869 31.708 29.762 0.128 0.000 1.552 704 H HN 0.590 nan 8.280 nan 0.000 0.522 705 I N 0.680 121.390 120.570 0.233 0.000 2.441 705 I HA 0.513 4.683 4.170 -0.001 0.000 0.295 705 I C 0.236 176.457 176.117 0.173 0.000 0.994 705 I CA -0.895 60.511 61.300 0.178 0.000 1.144 705 I CB 1.637 39.750 38.000 0.188 0.000 1.314 705 I HN 0.238 nan 8.210 nan 0.000 0.445 706 E N 3.173 123.476 120.200 0.172 0.000 2.256 706 E HA 0.505 4.854 4.350 -0.001 0.000 0.267 706 E C -0.893 175.750 176.600 0.071 0.000 0.892 706 E CA -0.829 55.660 56.400 0.148 0.000 0.775 706 E CB 1.905 31.764 29.700 0.265 0.000 1.207 706 E HN 0.548 nan 8.360 nan 0.000 0.420 707 R N 4.093 124.528 120.500 -0.108 0.000 2.790 707 R HA 0.214 4.554 4.340 -0.001 0.000 0.274 707 R C -0.863 175.311 176.300 -0.211 0.000 1.334 707 R CA -0.444 55.381 56.100 -0.458 0.000 1.543 707 R CB -0.198 29.764 30.300 -0.563 0.000 1.154 707 R HN 0.426 nan 8.270 nan 0.000 0.601 708 Y N 1.203 121.342 120.300 -0.268 0.000 2.511 708 Y HA 0.104 4.654 4.550 -0.000 0.000 0.332 708 Y C 0.542 176.348 175.900 -0.156 0.000 1.177 708 Y CA 0.170 58.172 58.100 -0.162 0.000 1.422 708 Y CB 0.649 39.046 38.460 -0.105 0.000 1.271 708 Y HN 0.444 nan 8.280 nan 0.000 0.550 709 E N 3.224 123.434 120.200 0.016 0.000 2.314 709 E HA 0.656 5.005 4.350 -0.001 0.000 0.272 709 E C -1.779 174.828 176.600 0.011 0.000 0.884 709 E CA -0.752 55.647 56.400 -0.002 0.000 0.753 709 E CB 2.099 31.777 29.700 -0.036 0.000 1.213 709 E HN 0.685 nan 8.360 nan 0.000 0.432 710 I N 2.075 122.655 120.570 0.018 0.000 2.769 710 I HA 0.399 4.569 4.170 -0.001 0.000 0.298 710 I C -1.423 174.702 176.117 0.014 0.000 1.128 710 I CA -0.517 60.792 61.300 0.015 0.000 1.031 710 I CB 1.910 39.923 38.000 0.022 0.000 1.235 710 I HN 0.587 nan 8.210 nan 0.000 0.423 711 E N 4.811 125.017 120.200 0.011 0.000 2.238 711 E HA 0.536 4.886 4.350 -0.001 0.000 0.267 711 E C -0.999 175.611 176.600 0.017 0.000 0.887 711 E CA -1.016 55.392 56.400 0.013 0.000 0.769 711 E CB 2.140 31.845 29.700 0.008 0.000 1.187 711 E HN 0.616 nan 8.360 nan 0.000 0.416 712 A N 3.541 126.373 122.820 0.021 0.000 2.807 712 A HA 0.178 4.498 4.320 -0.001 0.000 0.307 712 A C 0.300 177.901 177.584 0.028 0.000 1.532 712 A CA -0.129 51.925 52.037 0.027 0.000 1.215 712 A CB -0.285 18.732 19.000 0.029 0.000 1.127 712 A HN 0.550 nan 8.150 nan 0.000 0.543 713 R N 1.292 121.809 120.500 0.030 0.000 2.679 713 R HA 0.162 4.502 4.340 -0.001 0.000 0.269 713 R C -1.011 175.309 176.300 0.034 0.000 1.076 713 R CA -0.362 55.754 56.100 0.026 0.000 1.160 713 R CB 0.509 30.823 30.300 0.023 0.000 1.054 713 R HN 0.529 nan 8.270 nan 0.000 0.507 714 D N 1.735 122.148 120.400 0.022 0.000 2.443 714 D HA 0.179 4.819 4.640 -0.001 0.000 0.221 714 D C -0.981 175.322 176.300 0.004 0.000 1.097 714 D CA -0.052 53.957 54.000 0.015 0.000 0.865 714 D CB 1.255 42.059 40.800 0.005 0.000 1.034 714 D HN 0.469 nan 8.370 nan 0.000 0.511 715 T N 2.085 116.642 114.554 0.005 0.000 2.907 715 T HA 0.224 4.574 4.350 -0.001 0.000 0.284 715 T C 1.465 176.124 174.700 -0.069 0.000 1.004 715 T CA -0.754 61.337 62.100 -0.015 0.000 1.063 715 T CB 2.024 70.902 68.868 0.017 0.000 0.992 715 T HN 0.121 nan 8.240 nan 0.000 0.483 716 K N 1.136 121.493 120.400 -0.071 0.000 2.555 716 K HA 0.092 4.411 4.320 -0.001 0.000 0.193 716 K C 1.278 177.779 176.600 -0.166 0.000 1.032 716 K CA 0.459 56.688 56.287 -0.097 0.000 1.004 716 K CB -0.234 32.227 32.500 -0.065 0.000 0.804 716 K HN 0.553 nan 8.250 nan 0.000 0.496 717 L N -0.731 120.364 121.223 -0.213 0.000 2.477 717 L HA 0.156 4.495 4.340 -0.001 0.000 0.220 717 L C 0.831 177.106 176.870 -0.992 0.000 1.106 717 L CA -0.072 54.539 54.840 -0.381 0.000 0.851 717 L CB 0.038 41.999 42.059 -0.162 0.000 0.994 717 L HN 0.103 nan 8.230 nan 0.000 0.462 718 G N 0.099 108.479 108.800 -0.699 0.000 2.397 718 G HA2 0.056 4.016 3.960 -0.001 0.000 0.453 718 G HA3 0.056 4.016 3.960 -0.001 0.000 0.453 718 G C -3.148 171.713 174.900 -0.065 0.000 1.579 718 G CA -1.170 43.496 45.100 -0.724 0.000 0.906 718 G HN -0.279 nan 8.290 nan 0.000 0.675 719 P HA 0.165 nan 4.420 nan 0.000 0.264 719 P C 0.032 177.453 177.300 0.202 0.000 1.183 719 P CA 0.431 63.594 63.100 0.106 0.000 0.763 719 P CB 0.490 32.233 31.700 0.072 0.000 0.807 720 E N 3.004 123.290 120.200 0.144 0.000 2.104 720 E HA 0.071 4.421 4.350 -0.001 0.000 0.278 720 E C 0.258 176.905 176.600 0.079 0.000 1.127 720 E CA -0.089 56.384 56.400 0.122 0.000 0.897 720 E CB 0.283 30.033 29.700 0.083 0.000 1.043 720 E HN 0.242 nan 8.360 nan 0.000 0.410 721 R N 2.848 123.389 120.500 0.068 0.000 2.459 721 R HA 0.368 4.708 4.340 -0.001 0.000 0.281 721 R C -0.111 176.203 176.300 0.023 0.000 1.050 721 R CA -0.582 55.545 56.100 0.044 0.000 1.055 721 R CB 0.934 31.258 30.300 0.040 0.000 1.045 721 R HN 0.530 nan 8.270 nan 0.000 0.495 722 I N 2.473 123.056 120.570 0.022 0.000 2.306 722 I HA 0.214 4.384 4.170 -0.001 0.000 0.288 722 I C -0.967 175.156 176.117 0.010 0.000 1.036 722 I CA 0.329 61.637 61.300 0.015 0.000 1.221 722 I CB 1.075 39.086 38.000 0.018 0.000 1.385 722 I HN 0.511 nan 8.210 nan 0.000 0.472 723 T N 5.026 119.583 114.554 0.004 0.000 2.853 723 T HA 0.253 4.603 4.350 -0.001 0.000 0.311 723 T C 0.627 175.325 174.700 -0.003 0.000 1.307 723 T CA -0.694 61.407 62.100 0.001 0.000 1.019 723 T CB 1.844 70.711 68.868 -0.001 0.000 1.264 723 T HN 0.754 nan 8.240 nan 0.000 0.497 724 R N 0.993 121.491 120.500 -0.003 0.000 2.293 724 R HA -0.015 4.325 4.340 -0.001 0.000 0.219 724 R C -0.245 176.050 176.300 -0.008 0.000 1.091 724 R CA 1.044 57.141 56.100 -0.005 0.000 1.004 724 R CB -0.071 30.227 30.300 -0.004 0.000 0.865 724 R HN 0.535 nan 8.270 nan 0.000 0.469 725 D N 1.174 121.567 120.400 -0.011 0.000 2.344 725 D HA 0.041 4.681 4.640 -0.001 0.000 0.253 725 D C -0.578 175.713 176.300 -0.015 0.000 1.255 725 D CA 0.196 54.186 54.000 -0.017 0.000 0.894 725 D CB 0.943 41.729 40.800 -0.024 0.000 1.067 725 D HN 0.096 nan 8.370 nan 0.000 0.492 726 I N 4.683 125.247 120.570 -0.009 0.000 2.523 726 I HA 0.132 4.302 4.170 -0.001 0.000 0.281 726 I C -1.459 174.668 176.117 0.016 0.000 1.126 726 I CA -1.881 59.421 61.300 0.003 0.000 1.187 726 I CB 1.187 39.190 38.000 0.004 0.000 1.478 726 I HN 0.066 nan 8.210 nan 0.000 0.522 727 P HA -0.291 nan 4.420 nan 0.000 0.236 727 P C 1.171 178.427 177.300 -0.073 0.000 1.136 727 P CA 1.956 65.036 63.100 -0.034 0.000 0.948 727 P CB -0.007 31.714 31.700 0.035 0.000 0.766 728 H N -4.537 114.506 119.070 -0.045 0.000 2.788 728 H HA 0.279 4.835 4.556 -0.000 0.000 0.262 728 H C 1.605 176.908 175.328 -0.043 0.000 0.968 728 H CA 0.416 56.436 56.048 -0.047 0.000 1.218 728 H CB 0.494 30.224 29.762 -0.052 0.000 1.443 728 H HN 0.088 nan 8.280 nan 0.000 0.478 729 L N -0.570 120.695 121.223 0.069 0.000 2.753 729 L HA 0.121 4.461 4.340 -0.001 0.000 0.238 729 L C 0.282 177.157 176.870 0.009 0.000 1.028 729 L CA 0.317 55.175 54.840 0.031 0.000 0.966 729 L CB 0.991 43.066 42.059 0.026 0.000 1.681 729 L HN 0.075 nan 8.230 nan 0.000 0.511 730 S N -2.231 113.472 115.700 0.006 0.000 2.607 730 S HA 0.382 4.851 4.470 -0.001 0.000 0.273 730 S C 0.269 174.868 174.600 -0.003 0.000 1.148 730 S CA -0.277 57.923 58.200 -0.000 0.000 0.833 730 S CB 1.679 64.878 63.200 -0.001 0.000 1.130 730 S HN 0.058 nan 8.310 nan 0.000 0.470 731 E N 1.154 121.351 120.200 -0.004 0.000 2.250 731 E HA 0.302 4.652 4.350 -0.001 0.000 0.192 731 E C 1.960 178.557 176.600 -0.005 0.000 0.986 731 E CA 1.304 57.701 56.400 -0.005 0.000 0.849 731 E CB -0.510 29.187 29.700 -0.005 0.000 0.797 731 E HN 0.786 nan 8.360 nan 0.000 0.482 732 A N 0.657 123.474 122.820 -0.005 0.000 2.024 732 A HA -0.064 4.256 4.320 -0.001 0.000 0.220 732 A C 2.221 179.800 177.584 -0.007 0.000 1.164 732 A CA 1.786 53.820 52.037 -0.005 0.000 0.643 732 A CB -0.654 18.343 19.000 -0.004 0.000 0.806 732 A HN 0.332 nan 8.150 nan 0.000 0.451 733 A N -1.992 120.824 122.820 -0.007 0.000 2.275 733 A HA 0.478 4.798 4.320 -0.001 0.000 0.212 733 A C 1.346 178.924 177.584 -0.010 0.000 1.201 733 A CA 0.338 52.370 52.037 -0.009 0.000 0.843 733 A CB -0.092 18.903 19.000 -0.008 0.000 0.873 733 A HN 0.335 nan 8.150 nan 0.000 0.492 734 L N -0.802 120.416 121.223 -0.009 0.000 2.693 734 L HA 0.233 4.573 4.340 -0.001 0.000 0.235 734 L C 2.077 178.942 176.870 -0.009 0.000 1.127 734 L CA 0.407 55.242 54.840 -0.009 0.000 0.914 734 L CB -0.136 41.919 42.059 -0.007 0.000 1.193 734 L HN 0.280 nan 8.230 nan 0.000 0.502 735 R N -0.007 120.488 120.500 -0.009 0.000 2.082 735 R HA -0.142 4.198 4.340 -0.001 0.000 0.228 735 R C 1.430 177.724 176.300 -0.010 0.000 1.140 735 R CA 1.782 57.877 56.100 -0.009 0.000 0.920 735 R CB -0.692 29.603 30.300 -0.009 0.000 0.828 735 R HN 0.267 nan 8.270 nan 0.000 0.430 736 D N 1.107 121.499 120.400 -0.013 0.000 2.203 736 D HA -0.176 4.464 4.640 -0.001 0.000 0.199 736 D C 1.054 177.345 176.300 -0.015 0.000 0.997 736 D CA 0.915 54.906 54.000 -0.016 0.000 0.863 736 D CB -0.228 40.559 40.800 -0.022 0.000 0.928 736 D HN 0.148 nan 8.370 nan 0.000 0.458 737 L N 1.577 122.792 121.223 -0.014 0.000 2.391 737 L HA 0.007 4.347 4.340 -0.001 0.000 0.249 737 L C 0.941 177.806 176.870 -0.007 0.000 1.308 737 L CA -0.204 54.629 54.840 -0.011 0.000 1.209 737 L CB 0.090 42.143 42.059 -0.010 0.000 1.401 737 L HN -0.194 nan 8.230 nan 0.000 0.416 738 D N 1.008 121.404 120.400 -0.007 0.000 2.087 738 D HA -0.129 4.511 4.640 -0.001 0.000 0.201 738 D C 0.371 176.669 176.300 -0.002 0.000 0.980 738 D CA 0.689 54.686 54.000 -0.005 0.000 0.849 738 D CB 0.227 41.024 40.800 -0.005 0.000 1.001 738 D HN 0.473 nan 8.370 nan 0.000 0.452 739 E N 1.405 121.604 120.200 -0.001 0.000 2.452 739 E HA -0.063 4.287 4.350 -0.001 0.000 0.261 739 E C -0.250 176.350 176.600 0.002 0.000 0.987 739 E CA 0.075 56.476 56.400 0.001 0.000 0.926 739 E CB 0.331 30.033 29.700 0.003 0.000 0.934 739 E HN 0.338 nan 8.360 nan 0.000 0.452 740 E N 0.952 121.154 120.200 0.002 0.000 2.734 740 E HA -0.031 4.319 4.350 -0.001 0.000 0.235 740 E C 0.978 177.581 176.600 0.004 0.000 1.107 740 E CA 1.369 57.770 56.400 0.002 0.000 0.951 740 E CB -0.658 29.044 29.700 0.004 0.000 0.955 740 E HN 0.785 nan 8.360 nan 0.000 0.515 741 G N 2.135 110.936 108.800 0.002 0.000 2.956 741 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.210 741 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.210 741 G C 0.261 175.163 174.900 0.003 0.000 1.316 741 G CA -0.137 44.965 45.100 0.003 0.000 0.819 741 G HN 0.522 nan 8.290 nan 0.000 0.544 742 V N 1.915 121.832 119.914 0.006 0.000 2.953 742 V HA 0.633 4.753 4.120 -0.001 0.000 0.304 742 V C 1.194 177.288 176.094 0.000 0.000 1.073 742 V CA -0.073 62.231 62.300 0.006 0.000 1.064 742 V CB 1.701 33.531 31.823 0.011 0.000 1.047 742 V HN 0.838 nan 8.190 nan 0.000 0.478 743 V N 4.052 123.965 119.914 -0.002 0.000 2.546 743 V HA 0.420 4.540 4.120 -0.001 0.000 0.284 743 V C 0.608 176.698 176.094 -0.006 0.000 1.050 743 V CA -0.721 61.573 62.300 -0.010 0.000 0.981 743 V CB 1.284 33.094 31.823 -0.021 0.000 0.990 743 V HN 1.018 nan 8.190 nan 0.000 0.474 744 R N 4.979 125.474 120.500 -0.009 0.000 2.543 744 R HA 0.401 4.740 4.340 -0.001 0.000 0.277 744 R C -0.610 175.684 176.300 -0.010 0.000 1.074 744 R CA -0.614 55.482 56.100 -0.007 0.000 1.076 744 R CB 0.307 30.603 30.300 -0.007 0.000 0.993 744 R HN 0.503 nan 8.270 nan 0.000 0.459 745 I N 2.332 122.897 120.570 -0.008 0.000 2.648 745 I HA 0.135 4.305 4.170 -0.001 0.000 0.284 745 I C 1.429 177.538 176.117 -0.013 0.000 1.153 745 I CA 1.289 62.583 61.300 -0.010 0.000 1.426 745 I CB 0.983 38.977 38.000 -0.010 0.000 1.381 745 I HN 0.987 nan 8.210 nan 0.000 0.571 746 G N 4.184 112.973 108.800 -0.019 0.000 2.137 746 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.237 746 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.237 746 G C 0.168 175.055 174.900 -0.021 0.000 1.002 746 G CA -0.095 44.992 45.100 -0.021 0.000 0.702 746 G HN 1.051 nan 8.290 nan 0.000 0.515 747 A N 0.294 123.099 122.820 -0.024 0.000 2.276 747 A HA 0.669 4.989 4.320 -0.001 0.000 0.316 747 A C 0.535 178.099 177.584 -0.034 0.000 1.229 747 A CA 0.067 52.089 52.037 -0.026 0.000 0.851 747 A CB 0.724 19.709 19.000 -0.025 0.000 1.165 747 A HN 0.679 nan 8.150 nan 0.000 0.513 748 E N 2.997 123.178 120.200 -0.031 0.000 2.159 748 E HA 0.262 4.611 4.350 -0.001 0.000 0.272 748 E C -0.728 175.848 176.600 -0.040 0.000 1.138 748 E CA -0.223 56.157 56.400 -0.034 0.000 0.915 748 E CB 0.297 29.982 29.700 -0.025 0.000 1.028 748 E HN 0.498 nan 8.360 nan 0.000 0.423 749 V N 2.300 122.181 119.914 -0.055 0.000 2.350 749 V HA 0.488 4.608 4.120 -0.001 0.000 0.276 749 V C 0.022 176.078 176.094 -0.064 0.000 1.028 749 V CA -0.995 61.265 62.300 -0.068 0.000 0.860 749 V CB 0.888 32.649 31.823 -0.103 0.000 0.990 749 V HN 0.466 nan 8.190 nan 0.000 0.453 750 K N 4.831 125.203 120.400 -0.047 0.000 2.090 750 K HA 0.582 4.902 4.320 -0.001 0.000 0.249 750 K C -2.666 173.913 176.600 -0.036 0.000 0.995 750 K CA -2.202 54.066 56.287 -0.033 0.000 0.914 750 K CB 1.213 33.702 32.500 -0.019 0.000 1.057 750 K HN 0.487 nan 8.250 nan 0.000 0.462 751 P HA 0.034 nan 4.420 nan 0.000 0.263 751 P C -0.042 177.250 177.300 -0.012 0.000 1.195 751 P CA 0.708 63.800 63.100 -0.013 0.000 0.762 751 P CB 0.557 32.262 31.700 0.007 0.000 0.799 752 G N 1.503 110.292 108.800 -0.018 0.000 2.163 752 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.213 752 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.213 752 G C -0.049 174.837 174.900 -0.022 0.000 0.991 752 G CA -0.407 44.684 45.100 -0.015 0.000 0.653 752 G HN 0.495 nan 8.290 nan 0.000 0.518 753 D N 0.034 120.412 120.400 -0.036 0.000 2.332 753 D HA 0.544 5.184 4.640 -0.001 0.000 0.252 753 D C 0.649 176.924 176.300 -0.043 0.000 1.050 753 D CA -0.584 53.393 54.000 -0.037 0.000 0.970 753 D CB 0.780 41.553 40.800 -0.044 0.000 1.141 753 D HN -0.025 nan 8.370 nan 0.000 0.485 754 I N 3.107 123.656 120.570 -0.035 0.000 2.379 754 I HA 0.028 4.198 4.170 -0.001 0.000 0.290 754 I C 1.372 177.464 176.117 -0.042 0.000 1.063 754 I CA 0.228 61.509 61.300 -0.032 0.000 1.351 754 I CB 0.617 38.604 38.000 -0.021 0.000 1.410 754 I HN 0.352 nan 8.210 nan 0.000 0.505 755 L N 6.816 128.008 121.223 -0.051 0.000 2.202 755 L HA 0.135 4.475 4.340 -0.001 0.000 0.205 755 L C 0.213 177.066 176.870 -0.028 0.000 1.083 755 L CA 0.752 55.556 54.840 -0.061 0.000 0.790 755 L CB -0.164 41.836 42.059 -0.098 0.000 0.942 755 L HN 0.315 nan 8.230 nan 0.000 0.452 756 V N -0.734 119.171 119.914 -0.015 0.000 2.851 756 V HA 0.600 4.720 4.120 -0.001 0.000 0.307 756 V C -0.192 175.900 176.094 -0.002 0.000 1.129 756 V CA -0.769 61.530 62.300 -0.002 0.000 0.932 756 V CB 1.541 33.369 31.823 0.009 0.000 1.024 756 V HN 0.100 nan 8.190 nan 0.000 0.426 757 G N 2.394 111.194 108.800 -0.001 0.000 2.356 757 G HA2 0.754 4.714 3.960 -0.001 0.000 0.322 757 G HA3 0.754 4.714 3.960 -0.001 0.000 0.322 757 G C -0.815 174.086 174.900 0.000 0.000 1.125 757 G CA -0.573 44.526 45.100 -0.002 0.000 0.885 757 G HN 0.749 nan 8.290 nan 0.000 0.467 758 R N 0.219 120.718 120.500 -0.002 0.000 2.740 758 R HA 0.680 5.019 4.340 -0.001 0.000 0.273 758 R C -1.115 175.178 176.300 -0.011 0.000 0.998 758 R CA -0.607 55.493 56.100 0.001 0.000 0.900 758 R CB 2.171 32.476 30.300 0.008 0.000 1.223 758 R HN 0.656 nan 8.270 nan 0.000 0.466 759 T N 0.101 114.645 114.554 -0.015 0.000 2.906 759 T HA 0.456 4.805 4.350 -0.001 0.000 0.302 759 T C -0.341 174.324 174.700 -0.059 0.000 1.002 759 T CA -0.581 61.485 62.100 -0.057 0.000 0.988 759 T CB 1.241 70.056 68.868 -0.088 0.000 0.972 759 T HN 0.567 nan 8.240 nan 0.000 0.447 760 S N 2.869 118.534 115.700 -0.059 0.000 2.748 760 S HA 0.858 5.328 4.470 -0.001 0.000 0.299 760 S C -0.698 173.828 174.600 -0.124 0.000 1.119 760 S CA -0.922 57.298 58.200 0.032 0.000 0.997 760 S CB 0.470 63.719 63.200 0.081 0.000 1.223 760 S HN 0.537 nan 8.310 nan 0.000 0.541 761 F N 0.901 120.858 119.950 0.011 0.000 2.422 761 F HA 0.576 5.102 4.527 -0.001 0.000 0.333 761 F C 1.456 177.263 175.800 0.012 0.000 1.095 761 F CA -1.030 56.978 58.000 0.013 0.000 1.038 761 F CB 1.381 40.388 39.000 0.010 0.000 1.156 761 F HN 0.550 nan 8.300 nan 0.000 0.483 762 K N 1.702 122.164 120.400 0.103 0.000 1.987 762 K HA -0.017 4.303 4.320 -0.001 0.000 0.216 762 K C 1.068 177.713 176.600 0.075 0.000 1.051 762 K CA 1.541 57.865 56.287 0.063 0.000 0.942 762 K CB -0.575 31.957 32.500 0.053 0.000 0.722 762 K HN 0.831 nan 8.250 nan 0.000 0.444 763 G N -1.263 107.595 108.800 0.096 0.000 2.753 763 G HA2 0.155 4.114 3.960 -0.001 0.000 0.285 763 G HA3 0.155 4.114 3.960 -0.001 0.000 0.285 763 G C 0.091 175.030 174.900 0.065 0.000 1.344 763 G CA -0.416 44.725 45.100 0.068 0.000 1.050 763 G HN 0.076 nan 8.290 nan 0.000 0.532 764 E N -0.689 119.537 120.200 0.042 0.000 2.072 764 E HA -0.001 4.349 4.350 -0.001 0.000 0.190 764 E C 1.521 178.135 176.600 0.023 0.000 0.982 764 E CA 1.552 57.970 56.400 0.030 0.000 0.803 764 E CB 0.321 30.032 29.700 0.020 0.000 0.755 764 E HN 0.320 nan 8.360 nan 0.000 0.453 765 S N -0.572 115.142 115.700 0.023 0.000 2.348 765 S HA 0.025 4.495 4.470 -0.001 0.000 0.276 765 S C -0.437 174.175 174.600 0.020 0.000 1.027 765 S CA -0.270 57.938 58.200 0.012 0.000 1.386 765 S CB 0.833 64.035 63.200 0.003 0.000 1.122 765 S HN 0.111 nan 8.310 nan 0.000 0.573 766 E N 1.868 122.085 120.200 0.028 0.000 2.244 766 E HA 0.727 5.076 4.350 -0.001 0.000 0.266 766 E C -2.788 173.837 176.600 0.042 0.000 0.914 766 E CA -1.920 54.498 56.400 0.031 0.000 0.794 766 E CB -0.146 29.568 29.700 0.023 0.000 1.210 766 E HN -0.090 nan 8.360 nan 0.000 0.414 767 P HA 0.304 nan 4.420 nan 0.000 0.333 767 P C -0.694 176.631 177.300 0.041 0.000 1.343 767 P CA -0.476 62.654 63.100 0.050 0.000 0.761 767 P CB 0.374 32.103 31.700 0.049 0.000 1.701 768 T N -0.267 114.311 114.554 0.040 0.000 2.949 768 T HA 0.273 4.623 4.350 -0.001 0.000 0.300 768 T C -2.264 172.457 174.700 0.034 0.000 0.988 768 T CA -0.838 61.283 62.100 0.035 0.000 0.993 768 T CB 1.455 70.344 68.868 0.035 0.000 0.984 768 T HN 0.110 nan 8.240 nan 0.000 0.442 769 P HA -0.119 nan 4.420 nan 0.000 0.216 769 P C 1.513 178.833 177.300 0.032 0.000 1.150 769 P CA 0.917 64.034 63.100 0.029 0.000 0.837 769 P CB 0.351 32.066 31.700 0.024 0.000 0.786 770 E N -0.079 120.141 120.200 0.033 0.000 2.076 770 E HA -0.158 4.192 4.350 -0.001 0.000 0.190 770 E C 1.897 178.524 176.600 0.045 0.000 0.979 770 E CA 0.843 57.266 56.400 0.037 0.000 0.807 770 E CB -0.893 28.827 29.700 0.033 0.000 0.761 770 E HN 0.419 nan 8.360 nan 0.000 0.454 771 E N 1.035 121.261 120.200 0.043 0.000 2.418 771 E HA -0.136 4.214 4.350 -0.001 0.000 0.197 771 E C 2.047 178.681 176.600 0.056 0.000 1.026 771 E CA 0.230 56.660 56.400 0.049 0.000 0.862 771 E CB 0.162 29.888 29.700 0.043 0.000 0.799 771 E HN -0.074 nan 8.360 nan 0.000 0.518 772 R N 0.384 120.914 120.500 0.050 0.000 2.093 772 R HA 0.015 4.355 4.340 -0.001 0.000 0.224 772 R C 2.002 178.335 176.300 0.056 0.000 1.101 772 R CA 0.982 57.112 56.100 0.049 0.000 0.979 772 R CB -0.426 29.898 30.300 0.040 0.000 0.877 772 R HN 0.232 nan 8.270 nan 0.000 0.441 773 L N 0.281 121.539 121.223 0.058 0.000 2.109 773 L HA -0.023 4.317 4.340 -0.001 0.000 0.207 773 L C 2.294 179.225 176.870 0.102 0.000 1.086 773 L CA 0.975 55.852 54.840 0.063 0.000 0.760 773 L CB -0.366 41.724 42.059 0.052 0.000 0.910 773 L HN 0.285 nan 8.230 nan 0.000 0.437 774 L N -0.905 120.392 121.223 0.124 0.000 2.027 774 L HA -0.177 4.163 4.340 -0.001 0.000 0.206 774 L C 2.916 179.927 176.870 0.236 0.000 1.074 774 L CA 1.291 56.252 54.840 0.201 0.000 0.745 774 L CB -0.335 41.799 42.059 0.125 0.000 0.898 774 L HN 0.117 nan 8.230 nan 0.000 0.433 775 R N 0.207 120.789 120.500 0.138 0.000 2.080 775 R HA -0.129 4.211 4.340 -0.001 0.000 0.236 775 R C 2.425 178.805 176.300 0.132 0.000 1.137 775 R CA 1.759 57.928 56.100 0.115 0.000 0.943 775 R CB -1.223 29.117 30.300 0.067 0.000 0.846 775 R HN 0.457 nan 8.270 nan 0.000 0.431 776 S N 1.099 116.858 115.700 0.098 0.000 2.370 776 S HA -0.078 4.392 4.470 -0.001 0.000 0.226 776 S C 2.101 176.734 174.600 0.055 0.000 1.033 776 S CA 0.987 59.226 58.200 0.064 0.000 1.011 776 S CB -0.220 63.004 63.200 0.040 0.000 0.852 776 S HN 0.219 nan 8.310 nan 0.000 0.457 777 I N 0.237 120.844 120.570 0.063 0.000 2.118 777 I HA -0.234 3.936 4.170 -0.001 0.000 0.241 777 I C 1.749 177.754 176.117 -0.187 0.000 1.070 777 I CA 1.672 62.912 61.300 -0.100 0.000 1.327 777 I CB -0.341 37.545 38.000 -0.189 0.000 1.034 777 I HN 0.271 nan 8.210 nan 0.000 0.405 778 F N 0.107 120.058 119.950 0.002 0.000 2.473 778 F HA 0.279 4.806 4.527 -0.000 0.000 0.294 778 F C 1.180 176.976 175.800 -0.007 0.000 1.103 778 F CA 0.445 58.444 58.000 -0.001 0.000 1.442 778 F CB -0.061 38.940 39.000 0.001 0.000 1.097 778 F HN 0.021 nan 8.300 nan 0.000 0.547 779 G N 0.302 109.206 108.800 0.173 0.000 3.021 779 G HA2 0.195 4.155 3.960 -0.001 0.000 0.243 779 G HA3 0.195 4.155 3.960 -0.001 0.000 0.243 779 G C 0.105 175.042 174.900 0.062 0.000 3.652 779 G CA -0.587 44.564 45.100 0.086 0.000 0.499 779 G HN 0.179 nan 8.290 nan 0.000 0.342 780 E N 1.310 121.540 120.200 0.050 0.000 2.108 780 E HA -0.265 4.085 4.350 -0.001 0.000 0.203 780 E C 1.384 177.997 176.600 0.022 0.000 1.022 780 E CA 1.518 57.941 56.400 0.039 0.000 0.823 780 E CB -0.300 29.418 29.700 0.029 0.000 0.744 780 E HN 0.688 nan 8.360 nan 0.000 0.456 781 K N 1.368 121.776 120.400 0.013 0.000 2.034 781 K HA 0.403 4.722 4.320 -0.001 0.000 0.225 781 K C -0.653 175.938 176.600 -0.016 0.000 1.190 781 K CA 0.222 56.510 56.287 0.001 0.000 1.152 781 K CB 0.215 32.716 32.500 0.001 0.000 1.300 781 K HN 0.141 nan 8.250 nan 0.000 0.268 782 A N 2.943 125.748 122.820 -0.026 0.000 2.330 782 A HA 0.301 4.621 4.320 -0.001 0.000 0.313 782 A C -0.332 177.208 177.584 -0.074 0.000 1.124 782 A CA -1.055 50.942 52.037 -0.068 0.000 0.774 782 A CB 0.837 19.790 19.000 -0.079 0.000 1.198 782 A HN 0.758 nan 8.150 nan 0.000 0.465 783 R N 2.075 122.514 120.500 -0.102 0.000 3.110 783 R HA -0.098 4.242 4.340 -0.001 0.000 0.347 783 R C 0.795 177.034 176.300 -0.100 0.000 0.931 783 R CA 0.919 56.960 56.100 -0.099 0.000 1.003 783 R CB -0.365 29.868 30.300 -0.112 0.000 0.955 783 R HN 0.915 nan 8.270 nan 0.000 0.405 784 D N 2.348 122.706 120.400 -0.069 0.000 2.276 784 D HA -0.183 4.457 4.640 -0.001 0.000 0.200 784 D C 0.230 176.469 176.300 -0.103 0.000 1.004 784 D CA 0.951 54.924 54.000 -0.044 0.000 0.898 784 D CB 0.233 41.036 40.800 0.004 0.000 0.906 784 D HN 0.241 nan 8.370 nan 0.000 0.457 785 V N 0.423 120.202 119.914 -0.225 0.000 2.872 785 V HA -0.022 4.097 4.120 -0.001 0.000 0.307 785 V C 0.669 176.692 176.094 -0.118 0.000 1.072 785 V CA 0.180 62.281 62.300 -0.333 0.000 1.148 785 V CB 1.121 32.696 31.823 -0.413 0.000 0.954 785 V HN 0.190 nan 8.190 nan 0.000 0.490 786 K N 2.482 122.814 120.400 -0.114 0.000 2.095 786 K HA 0.283 4.603 4.320 -0.001 0.000 0.252 786 K C -0.510 176.071 176.600 -0.032 0.000 0.977 786 K CA -0.749 55.518 56.287 -0.034 0.000 0.900 786 K CB 0.945 33.422 32.500 -0.038 0.000 1.060 786 K HN 0.712 nan 8.250 nan 0.000 0.449 787 D N 1.735 122.122 120.400 -0.022 0.000 2.365 787 D HA 0.059 4.699 4.640 -0.001 0.000 0.237 787 D C -1.054 175.226 176.300 -0.034 0.000 1.190 787 D CA -0.079 53.910 54.000 -0.019 0.000 0.867 787 D CB 0.416 41.207 40.800 -0.015 0.000 1.050 787 D HN 0.483 nan 8.370 nan 0.000 0.491 788 T N 0.466 115.005 114.554 -0.025 0.000 3.331 788 T HA 0.480 4.829 4.350 -0.001 0.000 0.381 788 T C -0.217 174.476 174.700 -0.012 0.000 1.656 788 T CA -0.817 61.272 62.100 -0.018 0.000 1.453 788 T CB 0.077 68.939 68.868 -0.010 0.000 1.066 788 T HN 0.046 nan 8.240 nan 0.000 0.655 789 S N 2.186 117.878 115.700 -0.013 0.000 2.501 789 S HA 0.564 5.034 4.470 -0.001 0.000 0.301 789 S C -0.181 174.416 174.600 -0.005 0.000 1.096 789 S CA -0.837 57.359 58.200 -0.008 0.000 1.063 789 S CB 1.273 64.468 63.200 -0.009 0.000 1.042 789 S HN 0.642 nan 8.310 nan 0.000 0.494 790 L N 3.987 125.212 121.223 0.003 0.000 2.562 790 L HA 0.190 4.530 4.340 -0.001 0.000 0.271 790 L C 0.380 177.253 176.870 0.005 0.000 1.167 790 L CA 1.022 55.870 54.840 0.014 0.000 0.917 790 L CB -0.281 41.794 42.059 0.028 0.000 1.187 790 L HN 0.560 nan 8.230 nan 0.000 0.482 791 R N 2.679 123.184 120.500 0.008 0.000 2.787 791 R HA 0.573 4.913 4.340 -0.001 0.000 0.271 791 R C -1.020 175.282 176.300 0.004 0.000 0.993 791 R CA -1.216 54.880 56.100 -0.006 0.000 0.993 791 R CB 1.607 31.900 30.300 -0.011 0.000 1.155 791 R HN 0.307 nan 8.270 nan 0.000 0.486 792 V N 3.547 123.444 119.914 -0.027 0.000 2.425 792 V HA 0.087 4.207 4.120 -0.001 0.000 0.276 792 V C -2.030 174.077 176.094 0.021 0.000 1.017 792 V CA -1.224 61.060 62.300 -0.027 0.000 1.062 792 V CB 0.124 31.902 31.823 -0.076 0.000 0.997 792 V HN 0.578 nan 8.190 nan 0.000 0.476 793 P HA 0.180 nan 4.420 nan 0.000 0.269 793 P C -2.420 174.872 177.300 -0.013 0.000 1.209 793 P CA -0.870 62.240 63.100 0.017 0.000 0.776 793 P CB -0.066 31.648 31.700 0.022 0.000 0.876 794 P HA 0.149 nan 4.420 nan 0.000 0.269 794 P C 0.757 178.025 177.300 -0.054 0.000 1.211 794 P CA 1.158 64.231 63.100 -0.045 0.000 0.781 794 P CB 0.179 31.847 31.700 -0.052 0.000 0.877 795 G N 0.654 109.461 108.800 0.011 0.000 2.713 795 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.215 795 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.215 795 G C -0.873 174.046 174.900 0.032 0.000 1.265 795 G CA -0.315 44.795 45.100 0.017 0.000 1.204 795 G HN 0.559 nan 8.290 nan 0.000 0.545 796 E N -0.916 119.309 120.200 0.042 0.000 2.437 796 E HA 0.558 4.908 4.350 -0.001 0.000 0.280 796 E C -0.423 176.199 176.600 0.036 0.000 1.044 796 E CA -0.320 56.102 56.400 0.036 0.000 0.826 796 E CB 2.052 31.776 29.700 0.040 0.000 1.358 796 E HN 1.115 nan 8.360 nan 0.000 0.459 797 G N -1.008 107.789 108.800 -0.004 0.000 2.733 797 G HA2 0.690 4.649 3.960 -0.001 0.000 0.288 797 G HA3 0.690 4.649 3.960 -0.001 0.000 0.288 797 G C -0.612 174.266 174.900 -0.036 0.000 1.373 797 G CA 0.054 45.120 45.100 -0.057 0.000 0.895 797 G HN 0.535 nan 8.290 nan 0.000 0.479 798 G N -1.176 107.592 108.800 -0.053 0.000 3.377 798 G HA2 0.528 4.487 3.960 -0.001 0.000 0.182 798 G HA3 0.528 4.487 3.960 -0.001 0.000 0.182 798 G C -0.883 173.986 174.900 -0.050 0.000 1.166 798 G CA -0.459 44.620 45.100 -0.035 0.000 0.771 798 G HN 0.572 nan 8.290 nan 0.000 0.701 799 I N 1.393 121.934 120.570 -0.049 0.000 2.460 799 I HA 0.415 4.584 4.170 -0.001 0.000 0.298 799 I C 0.159 176.246 176.117 -0.051 0.000 0.989 799 I CA -1.262 60.008 61.300 -0.050 0.000 1.173 799 I CB 1.338 39.309 38.000 -0.047 0.000 1.338 799 I HN -0.003 nan 8.210 nan 0.000 0.456 800 V N 6.186 126.072 119.914 -0.047 0.000 2.479 800 V HA 0.051 4.170 4.120 -0.001 0.000 0.281 800 V C 1.228 177.310 176.094 -0.020 0.000 1.031 800 V CA 0.036 62.317 62.300 -0.032 0.000 1.038 800 V CB 1.116 32.921 31.823 -0.030 0.000 0.981 800 V HN 0.742 nan 8.190 nan 0.000 0.478 801 V N 2.779 122.691 119.914 -0.004 0.000 2.788 801 V HA 0.403 4.522 4.120 -0.001 0.000 0.241 801 V C 0.777 176.855 176.094 -0.026 0.000 1.083 801 V CA 0.385 62.670 62.300 -0.025 0.000 1.103 801 V CB 0.065 31.856 31.823 -0.053 0.000 0.800 801 V HN 0.752 nan 8.190 nan 0.000 0.476 802 R N 0.709 121.210 120.500 0.000 0.000 2.771 802 R HA 0.640 4.980 4.340 -0.001 0.000 0.274 802 R C -1.405 174.937 176.300 0.069 0.000 0.987 802 R CA 0.342 56.412 56.100 -0.051 0.000 0.908 802 R CB 2.316 32.442 30.300 -0.289 0.000 1.213 802 R HN 0.518 nan 8.270 nan 0.000 0.468 803 T N -0.497 114.082 114.554 0.041 0.000 2.916 803 T HA 0.579 4.928 4.350 -0.001 0.000 0.298 803 T C -0.977 173.768 174.700 0.074 0.000 1.031 803 T CA -0.708 61.449 62.100 0.094 0.000 0.993 803 T CB 1.778 70.677 68.868 0.052 0.000 1.045 803 T HN 0.214 nan 8.240 nan 0.000 0.454 804 V N 2.710 122.694 119.914 0.116 0.000 2.588 804 V HA 0.775 4.895 4.120 -0.001 0.000 0.304 804 V C -0.212 175.923 176.094 0.068 0.000 1.042 804 V CA -0.889 61.464 62.300 0.087 0.000 0.877 804 V CB 1.770 33.669 31.823 0.125 0.000 0.996 804 V HN 1.004 nan 8.190 nan 0.000 0.425 805 R N 4.486 125.014 120.500 0.047 0.000 2.538 805 R HA 0.614 4.954 4.340 -0.001 0.000 0.292 805 R C -2.044 174.275 176.300 0.032 0.000 1.008 805 R CA -0.645 55.477 56.100 0.038 0.000 0.896 805 R CB 1.878 32.197 30.300 0.031 0.000 1.187 805 R HN 0.761 nan 8.270 nan 0.000 0.440 806 L N 5.946 127.187 121.223 0.030 0.000 2.324 806 L HA 0.491 4.831 4.340 -0.001 0.000 0.274 806 L C 0.063 176.947 176.870 0.023 0.000 1.012 806 L CA -0.874 53.981 54.840 0.025 0.000 0.859 806 L CB 1.381 43.453 42.059 0.023 0.000 1.224 806 L HN 0.497 nan 8.230 nan 0.000 0.429 807 R N 1.309 121.822 120.500 0.022 0.000 2.523 807 R HA 0.475 4.815 4.340 -0.001 0.000 0.229 807 R C 1.128 177.440 176.300 0.020 0.000 1.265 807 R CA -0.846 55.266 56.100 0.021 0.000 1.081 807 R CB 0.178 30.491 30.300 0.021 0.000 1.540 807 R HN 0.236 nan 8.270 nan 0.000 0.560 808 R N 0.567 121.079 120.500 0.020 0.000 2.223 808 R HA -0.146 4.193 4.340 -0.001 0.000 0.229 808 R C 1.135 177.447 176.300 0.019 0.000 1.105 808 R CA 2.054 58.165 56.100 0.019 0.000 0.880 808 R CB -1.782 28.530 30.300 0.018 0.000 0.853 808 R HN 0.827 nan 8.270 nan 0.000 0.429 809 G N 4.132 112.944 108.800 0.021 0.000 2.852 809 G HA2 0.039 3.999 3.960 -0.001 0.000 0.280 809 G HA3 0.039 3.999 3.960 -0.001 0.000 0.280 809 G C -0.720 174.195 174.900 0.026 0.000 0.731 809 G CA -0.345 44.768 45.100 0.023 0.000 2.037 809 G HN 0.152 nan 8.290 nan 0.000 0.560 810 D N 2.475 122.890 120.400 0.025 0.000 2.450 810 D HA 0.058 4.698 4.640 -0.001 0.000 0.247 810 D C -0.756 175.566 176.300 0.037 0.000 1.162 810 D CA -0.771 53.245 54.000 0.027 0.000 0.879 810 D CB 1.758 42.570 40.800 0.021 0.000 1.163 810 D HN 0.181 nan 8.370 nan 0.000 0.472 811 P HA -0.007 nan 4.420 nan 0.000 0.211 811 P C 0.774 178.127 177.300 0.088 0.000 1.179 811 P CA 0.983 64.120 63.100 0.061 0.000 0.910 811 P CB 0.392 32.128 31.700 0.060 0.000 0.785 812 G N -1.726 107.123 108.800 0.082 0.000 5.580 812 G HA2 0.276 4.236 3.960 -0.001 0.000 0.197 812 G HA3 0.276 4.236 3.960 -0.001 0.000 0.197 812 G C -0.862 174.019 174.900 -0.032 0.000 0.741 812 G CA -0.111 45.060 45.100 0.120 0.000 0.692 812 G HN 0.333 nan 8.290 nan 0.000 0.300 813 V N 0.671 120.568 119.914 -0.029 0.000 2.973 813 V HA 0.672 4.792 4.120 -0.001 0.000 0.314 813 V C -0.804 175.262 176.094 -0.047 0.000 1.066 813 V CA -0.815 61.444 62.300 -0.069 0.000 1.021 813 V CB 1.823 33.627 31.823 -0.032 0.000 1.076 813 V HN 0.288 nan 8.190 nan 0.000 0.462 814 E N 5.098 125.263 120.200 -0.057 0.000 2.173 814 E HA 0.246 4.596 4.350 -0.001 0.000 0.249 814 E C -0.778 175.811 176.600 -0.018 0.000 0.923 814 E CA -0.583 55.797 56.400 -0.033 0.000 0.754 814 E CB 1.376 31.051 29.700 -0.042 0.000 1.177 814 E HN 0.486 nan 8.360 nan 0.000 0.430 815 L N 2.361 123.579 121.223 -0.008 0.000 2.313 815 L HA 0.182 4.521 4.340 -0.001 0.000 0.282 815 L C -0.070 176.799 176.870 -0.001 0.000 1.092 815 L CA -0.200 54.639 54.840 -0.001 0.000 0.831 815 L CB 0.313 42.374 42.059 0.004 0.000 1.159 815 L HN 0.124 nan 8.230 nan 0.000 0.442 816 K N 5.500 125.899 120.400 -0.001 0.000 2.286 816 K HA 0.232 4.552 4.320 -0.001 0.000 0.256 816 K C -2.255 174.345 176.600 -0.001 0.000 0.999 816 K CA -0.869 55.417 56.287 -0.002 0.000 0.908 816 K CB -0.288 32.210 32.500 -0.003 0.000 0.981 816 K HN 0.474 nan 8.250 nan 0.000 0.500 817 P HA 0.032 nan 4.420 nan 0.000 0.272 817 P C 0.599 177.899 177.300 -0.000 0.000 1.223 817 P CA 0.519 63.618 63.100 -0.001 0.000 0.784 817 P CB 0.823 32.521 31.700 -0.003 0.000 0.923 818 G N 0.851 109.651 108.800 0.000 0.000 2.507 818 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.240 818 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.240 818 G C 0.155 175.058 174.900 0.006 0.000 1.119 818 G CA 0.202 45.303 45.100 0.002 0.000 0.664 818 G HN 0.549 nan 8.290 nan 0.000 0.516 819 V N 2.865 122.783 119.914 0.006 0.000 2.409 819 V HA 0.238 4.358 4.120 -0.001 0.000 0.270 819 V C 1.806 177.907 176.094 0.012 0.000 1.019 819 V CA 1.174 63.480 62.300 0.009 0.000 1.066 819 V CB 0.901 32.727 31.823 0.006 0.000 1.021 819 V HN 0.565 nan 8.190 nan 0.000 0.476 820 R N 4.016 124.525 120.500 0.016 0.000 2.062 820 R HA -0.011 4.328 4.340 -0.001 0.000 0.229 820 R C 0.757 177.068 176.300 0.018 0.000 1.128 820 R CA 1.542 57.653 56.100 0.018 0.000 0.960 820 R CB 0.373 30.688 30.300 0.025 0.000 0.855 820 R HN 0.881 nan 8.270 nan 0.000 0.432 821 E N -0.340 119.872 120.200 0.020 0.000 2.388 821 E HA 0.248 4.598 4.350 -0.001 0.000 0.280 821 E C -1.386 175.226 176.600 0.020 0.000 1.019 821 E CA -0.870 55.542 56.400 0.020 0.000 0.806 821 E CB 1.900 31.614 29.700 0.022 0.000 1.246 821 E HN 0.032 nan 8.360 nan 0.000 0.443 822 V N -0.222 119.705 119.914 0.021 0.000 2.994 822 V HA 0.880 5.000 4.120 -0.001 0.000 0.318 822 V C -0.952 175.159 176.094 0.029 0.000 1.085 822 V CA -0.526 61.787 62.300 0.022 0.000 0.998 822 V CB 1.777 33.613 31.823 0.021 0.000 1.063 822 V HN 0.520 nan 8.190 nan 0.000 0.447 823 V N 3.020 122.953 119.914 0.031 0.000 2.559 823 V HA 0.501 4.620 4.120 -0.001 0.000 0.289 823 V C -0.116 176.006 176.094 0.046 0.000 1.036 823 V CA -0.526 61.798 62.300 0.040 0.000 0.887 823 V CB 1.428 33.270 31.823 0.032 0.000 1.022 823 V HN 1.001 nan 8.190 nan 0.000 0.442 824 R N 2.730 123.272 120.500 0.070 0.000 2.404 824 R HA 0.754 5.093 4.340 -0.001 0.000 0.291 824 R C -0.662 175.702 176.300 0.107 0.000 1.025 824 R CA -0.574 55.568 56.100 0.070 0.000 0.991 824 R CB 1.973 32.351 30.300 0.130 0.000 1.053 824 R HN 0.578 nan 8.270 nan 0.000 0.479 825 V N 0.361 120.307 119.914 0.053 0.000 2.443 825 V HA 0.301 4.420 4.120 -0.001 0.000 0.272 825 V C -1.127 174.997 176.094 0.050 0.000 1.002 825 V CA -1.211 61.137 62.300 0.079 0.000 0.840 825 V CB 0.278 32.102 31.823 0.003 0.000 1.042 825 V HN 0.553 nan 8.190 nan 0.000 0.446 826 Y N 2.708 123.018 120.300 0.017 0.000 2.402 826 Y HA 0.593 5.142 4.550 -0.001 0.000 0.333 826 Y C 0.496 176.382 175.900 -0.024 0.000 1.076 826 Y CA -0.329 57.787 58.100 0.026 0.000 1.299 826 Y CB 1.359 39.822 38.460 0.006 0.000 1.197 826 Y HN 0.516 nan 8.280 nan 0.000 0.517 827 V N 3.326 123.291 119.914 0.086 0.000 2.540 827 V HA 0.838 4.958 4.120 -0.001 0.000 0.302 827 V C -0.150 175.967 176.094 0.039 0.000 1.035 827 V CA -1.060 61.237 62.300 -0.005 0.000 0.873 827 V CB 1.492 33.217 31.823 -0.163 0.000 0.992 827 V HN 0.868 nan 8.190 nan 0.000 0.428 828 A N 4.516 127.338 122.820 0.003 0.000 2.354 828 A HA 1.004 5.324 4.320 -0.001 0.000 0.321 828 A C -0.822 176.754 177.584 -0.013 0.000 1.125 828 A CA -0.603 51.432 52.037 -0.003 0.000 0.799 828 A CB 1.917 20.869 19.000 -0.080 0.000 1.293 828 A HN 0.831 nan 8.150 nan 0.000 0.452 829 Q N 0.907 120.713 119.800 0.009 0.000 2.353 829 Q HA 0.378 4.718 4.340 -0.001 0.000 0.275 829 Q C -1.629 174.375 176.000 0.007 0.000 1.029 829 Q CA -0.734 55.074 55.803 0.010 0.000 0.848 829 Q CB 1.547 30.309 28.738 0.040 0.000 1.390 829 Q HN 0.695 nan 8.270 nan 0.000 0.401 830 K N 2.300 122.695 120.400 -0.008 0.000 2.276 830 K HA 0.297 4.617 4.320 -0.001 0.000 0.285 830 K C -0.668 175.931 176.600 -0.001 0.000 1.062 830 K CA -0.441 55.838 56.287 -0.014 0.000 0.918 830 K CB 0.686 33.176 32.500 -0.016 0.000 1.055 830 K HN 0.475 nan 8.250 nan 0.000 0.477 831 R N 4.417 124.907 120.500 -0.016 0.000 2.229 831 R HA 0.232 4.572 4.340 -0.001 0.000 0.332 831 R C -0.582 175.710 176.300 -0.012 0.000 0.989 831 R CA -0.574 55.523 56.100 -0.005 0.000 0.842 831 R CB 1.222 31.513 30.300 -0.016 0.000 1.119 831 R HN 0.540 nan 8.270 nan 0.000 0.456 832 K N 2.597 123.002 120.400 0.008 0.000 2.183 832 K HA 0.228 4.548 4.320 -0.001 0.000 0.274 832 K C 0.118 176.730 176.600 0.019 0.000 1.009 832 K CA -1.125 55.173 56.287 0.019 0.000 0.888 832 K CB 1.527 34.041 32.500 0.024 0.000 1.078 832 K HN 0.189 nan 8.250 nan 0.000 0.459 833 L N 3.986 125.233 121.223 0.040 0.000 2.700 833 L HA -0.166 4.173 4.340 -0.001 0.000 0.276 833 L C -0.017 176.859 176.870 0.011 0.000 1.200 833 L CA 1.172 56.029 54.840 0.027 0.000 0.951 833 L CB -0.289 41.815 42.059 0.075 0.000 1.226 833 L HN 0.653 nan 8.230 nan 0.000 0.489 834 Q N 2.574 122.376 119.800 0.003 0.000 2.633 834 Q HA 0.437 4.776 4.340 -0.001 0.000 0.292 834 Q C 0.573 176.584 176.000 0.018 0.000 1.089 834 Q CA -0.571 55.240 55.803 0.014 0.000 0.811 834 Q CB 1.014 29.772 28.738 0.034 0.000 1.472 834 Q HN 0.206 nan 8.270 nan 0.000 0.464 835 V N 1.125 121.049 119.914 0.017 0.000 2.282 835 V HA -0.215 3.905 4.120 -0.001 0.000 0.249 835 V C 1.734 177.853 176.094 0.043 0.000 1.057 835 V CA 2.960 65.270 62.300 0.017 0.000 1.032 835 V CB -1.069 30.760 31.823 0.010 0.000 0.645 835 V HN 0.977 nan 8.190 nan 0.000 0.447 836 G N -0.624 108.217 108.800 0.069 0.000 2.450 836 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.220 836 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.220 836 G C 0.493 175.491 174.900 0.165 0.000 1.130 836 G CA 0.741 45.895 45.100 0.091 0.000 0.760 836 G HN 0.622 nan 8.290 nan 0.000 0.557 837 D N 0.292 120.818 120.400 0.210 0.000 2.362 837 D HA 0.371 5.011 4.640 -0.001 0.000 0.238 837 D C 0.620 177.000 176.300 0.132 0.000 1.212 837 D CA 0.371 54.510 54.000 0.232 0.000 0.902 837 D CB 0.613 41.370 40.800 -0.073 0.000 1.180 837 D HN 0.512 nan 8.370 nan 0.000 0.445 838 K N 0.041 120.518 120.400 0.128 0.000 2.378 838 K HA 0.691 5.011 4.320 -0.001 0.000 0.252 838 K C -1.109 175.509 176.600 0.030 0.000 0.931 838 K CA -0.845 55.484 56.287 0.070 0.000 0.794 838 K CB 1.571 34.125 32.500 0.090 0.000 1.181 838 K HN 0.287 nan 8.250 nan 0.000 0.425 839 L N 0.982 122.202 121.223 -0.005 0.000 2.309 839 L HA 0.920 5.259 4.340 -0.001 0.000 0.261 839 L C -0.860 175.993 176.870 -0.027 0.000 1.021 839 L CA -1.314 53.505 54.840 -0.034 0.000 0.823 839 L CB 2.231 44.222 42.059 -0.112 0.000 1.366 839 L HN 1.004 nan 8.230 nan 0.000 0.423 840 A N 0.834 123.629 122.820 -0.041 0.000 2.594 840 A HA 0.456 4.776 4.320 -0.001 0.000 0.296 840 A C -1.436 176.118 177.584 -0.050 0.000 1.061 840 A CA -0.782 51.240 52.037 -0.024 0.000 0.689 840 A CB 1.436 20.441 19.000 0.009 0.000 1.280 840 A HN 0.892 nan 8.150 nan 0.000 0.406 841 N N 0.568 119.258 118.700 -0.018 0.000 2.463 841 N HA 0.413 5.152 4.740 -0.001 0.000 0.270 841 N C 0.514 176.028 175.510 0.007 0.000 1.205 841 N CA -0.840 52.206 53.050 -0.008 0.000 0.974 841 N CB 1.051 39.574 38.487 0.060 0.000 1.197 841 N HN 0.623 nan 8.380 nan 0.000 0.504 842 R N -0.497 119.990 120.500 -0.022 0.000 2.249 842 R HA -0.138 4.202 4.340 -0.001 0.000 0.230 842 R C 1.301 177.518 176.300 -0.139 0.000 1.121 842 R CA 1.203 57.252 56.100 -0.085 0.000 0.997 842 R CB -0.333 29.878 30.300 -0.148 0.000 0.867 842 R HN 0.631 nan 8.270 nan 0.000 0.465 843 H N -2.087 117.026 119.070 0.071 0.000 2.343 843 H HA 0.094 4.650 4.556 -0.000 0.000 0.303 843 H C 1.691 177.053 175.328 0.055 0.000 1.068 843 H CA 1.740 57.828 56.048 0.067 0.000 1.359 843 H CB 0.520 30.324 29.762 0.071 0.000 1.402 843 H HN 0.462 nan 8.280 nan 0.000 0.515 844 G N -0.403 108.495 108.800 0.163 0.000 3.942 844 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 844 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 844 G C 0.088 175.036 174.900 0.080 0.000 0.869 844 G CA -0.363 44.800 45.100 0.104 0.000 0.851 844 G HN 0.187 nan 8.290 nan 0.000 0.560 845 N N 1.413 120.166 118.700 0.087 0.000 2.429 845 N HA 0.282 5.022 4.740 -0.001 0.000 0.271 845 N C -0.192 175.345 175.510 0.045 0.000 1.272 845 N CA 0.588 53.674 53.050 0.060 0.000 0.921 845 N CB 0.740 39.261 38.487 0.056 0.000 1.128 845 N HN 0.317 nan 8.380 nan 0.000 0.481 846 K N 1.025 121.450 120.400 0.042 0.000 2.166 846 K HA 0.810 5.130 4.320 -0.001 0.000 0.245 846 K C -0.288 176.333 176.600 0.035 0.000 0.967 846 K CA -0.654 55.654 56.287 0.035 0.000 0.863 846 K CB 1.620 34.143 32.500 0.039 0.000 1.107 846 K HN 0.603 nan 8.250 nan 0.000 0.436 847 G N 0.019 108.838 108.800 0.030 0.000 2.411 847 G HA2 0.366 4.326 3.960 -0.001 0.000 0.295 847 G HA3 0.366 4.326 3.960 -0.001 0.000 0.295 847 G C -1.805 173.113 174.900 0.030 0.000 1.542 847 G CA -0.703 44.419 45.100 0.036 0.000 0.814 847 G HN 0.414 nan 8.290 nan 0.000 0.557 848 V N 0.090 120.028 119.914 0.039 0.000 2.834 848 V HA 0.568 4.687 4.120 -0.001 0.000 0.313 848 V C 0.539 176.651 176.094 0.029 0.000 1.060 848 V CA -0.808 61.515 62.300 0.037 0.000 0.989 848 V CB 1.902 33.751 31.823 0.044 0.000 1.041 848 V HN 0.654 nan 8.190 nan 0.000 0.459 849 V N 2.934 122.859 119.914 0.017 0.000 2.470 849 V HA 0.288 4.407 4.120 -0.001 0.000 0.276 849 V C 1.012 177.119 176.094 0.022 0.000 1.040 849 V CA 0.875 63.177 62.300 0.002 0.000 1.008 849 V CB 0.689 32.499 31.823 -0.021 0.000 0.990 849 V HN 1.094 nan 8.190 nan 0.000 0.477 850 A N 5.322 128.164 122.820 0.037 0.000 1.973 850 A HA 0.317 4.637 4.320 -0.001 0.000 0.210 850 A C 0.908 178.506 177.584 0.023 0.000 1.200 850 A CA 0.474 52.553 52.037 0.070 0.000 0.707 850 A CB 0.286 19.381 19.000 0.159 0.000 0.862 850 A HN 0.646 nan 8.150 nan 0.000 0.461 851 K N 0.154 120.526 120.400 -0.046 0.000 2.561 851 K HA 0.430 4.750 4.320 -0.001 0.000 0.254 851 K C -1.452 175.046 176.600 -0.170 0.000 0.942 851 K CA -0.488 55.709 56.287 -0.151 0.000 0.818 851 K CB 1.459 33.739 32.500 -0.367 0.000 1.306 851 K HN 0.331 nan 8.250 nan 0.000 0.435 852 I N 2.863 123.349 120.570 -0.141 0.000 2.256 852 I HA 0.263 4.433 4.170 -0.001 0.000 0.294 852 I C -0.679 175.347 176.117 -0.151 0.000 1.127 852 I CA -0.833 60.391 61.300 -0.126 0.000 1.247 852 I CB -0.073 37.879 38.000 -0.080 0.000 1.460 852 I HN 0.162 nan 8.210 nan 0.000 0.511 853 L N 8.123 129.231 121.223 -0.191 0.000 2.397 853 L HA 0.467 4.806 4.340 -0.001 0.000 0.271 853 L C -2.104 174.690 176.870 -0.128 0.000 1.148 853 L CA -1.343 53.381 54.840 -0.193 0.000 0.825 853 L CB -0.057 41.833 42.059 -0.281 0.000 1.117 853 L HN 0.389 nan 8.230 nan 0.000 0.456 854 P HA 0.060 nan 4.420 nan 0.000 0.279 854 P C 0.841 178.104 177.300 -0.060 0.000 1.239 854 P CA -0.353 62.709 63.100 -0.065 0.000 0.789 854 P CB 1.061 32.734 31.700 -0.044 0.000 0.933 855 V N 2.891 122.773 119.914 -0.053 0.000 2.527 855 V HA -0.328 3.791 4.120 -0.001 0.000 0.255 855 V C 1.637 177.710 176.094 -0.036 0.000 1.081 855 V CA 2.231 64.504 62.300 -0.045 0.000 1.092 855 V CB -0.938 30.862 31.823 -0.038 0.000 0.673 855 V HN 0.465 nan 8.190 nan 0.000 0.470 856 E N 0.945 121.125 120.200 -0.033 0.000 2.086 856 E HA -0.215 4.134 4.350 -0.001 0.000 0.205 856 E C 1.578 178.164 176.600 -0.023 0.000 1.027 856 E CA 2.183 58.566 56.400 -0.029 0.000 0.830 856 E CB -0.304 29.385 29.700 -0.018 0.000 0.751 856 E HN 0.812 nan 8.360 nan 0.000 0.456 857 D N -1.301 119.100 120.400 0.002 0.000 2.513 857 D HA 0.118 4.758 4.640 -0.001 0.000 0.222 857 D C 0.233 176.590 176.300 0.094 0.000 1.210 857 D CA -0.042 53.988 54.000 0.050 0.000 0.825 857 D CB 0.043 40.890 40.800 0.078 0.000 1.037 857 D HN 0.218 nan 8.370 nan 0.000 0.506 858 M N 0.452 120.069 119.600 0.028 0.000 2.163 858 M HA 0.334 4.814 4.480 -0.001 0.000 0.305 858 M C -2.355 174.020 176.300 0.125 0.000 1.166 858 M CA -1.570 53.737 55.300 0.013 0.000 1.132 858 M CB -0.534 32.009 32.600 -0.094 0.000 1.413 858 M HN -0.410 nan 8.290 nan 0.000 0.478 859 P HA -0.061 nan 4.420 nan 0.000 0.261 859 P C -1.152 176.270 177.300 0.204 0.000 1.183 859 P CA 0.700 63.934 63.100 0.223 0.000 0.761 859 P CB 0.074 31.894 31.700 0.199 0.000 0.785 860 H N 3.708 122.822 119.070 0.074 0.000 2.690 860 H HA 0.426 4.982 4.556 -0.001 0.000 0.368 860 H C -0.898 174.409 175.328 -0.034 0.000 1.150 860 H CA -1.063 54.999 56.048 0.024 0.000 1.174 860 H CB 0.582 30.358 29.762 0.025 0.000 1.684 860 H HN 0.163 nan 8.280 nan 0.000 0.538 861 L N 3.387 124.452 121.223 -0.264 0.000 2.472 861 L HA 0.118 4.458 4.340 -0.001 0.000 0.260 861 L C -1.151 175.366 176.870 -0.588 0.000 1.209 861 L CA -1.835 52.833 54.840 -0.287 0.000 0.817 861 L CB 0.517 42.584 42.059 0.013 0.000 1.106 861 L HN 0.484 nan 8.230 nan 0.000 0.479 862 P HA -0.179 nan 4.420 nan 0.000 0.217 862 P C -0.659 176.505 177.300 -0.227 0.000 1.158 862 P CA 1.267 64.065 63.100 -0.504 0.000 0.887 862 P CB -0.136 31.456 31.700 -0.180 0.000 0.792 863 D N -1.605 118.797 120.400 0.004 0.000 2.345 863 D HA 0.130 4.770 4.640 -0.001 0.000 0.247 863 D C 1.604 177.953 176.300 0.083 0.000 1.108 863 D CA -0.237 53.809 54.000 0.077 0.000 0.894 863 D CB -0.309 40.615 40.800 0.207 0.000 1.203 863 D HN 0.010 nan 8.370 nan 0.000 0.430 864 G N 1.284 110.157 108.800 0.122 0.000 2.631 864 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.221 864 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.221 864 G C 0.880 175.883 174.900 0.172 0.000 1.095 864 G CA 1.122 46.337 45.100 0.191 0.000 0.727 864 G HN 0.728 nan 8.290 nan 0.000 0.587 865 T N 2.250 116.886 114.554 0.138 0.000 2.765 865 T HA 0.378 4.728 4.350 -0.001 0.000 0.284 865 T C -2.271 172.489 174.700 0.099 0.000 0.946 865 T CA -1.384 60.786 62.100 0.116 0.000 1.185 865 T CB 0.959 69.918 68.868 0.152 0.000 0.887 865 T HN 0.016 nan 8.240 nan 0.000 0.532 866 P HA 0.343 nan 4.420 nan 0.000 0.282 866 P C -0.372 176.928 177.300 0.001 0.000 1.259 866 P CA -0.823 62.321 63.100 0.073 0.000 0.826 866 P CB 0.692 32.426 31.700 0.057 0.000 1.064 867 V N -1.192 118.719 119.914 -0.005 0.000 2.881 867 V HA 0.191 4.311 4.120 -0.001 0.000 0.303 867 V C 0.369 176.418 176.094 -0.074 0.000 1.070 867 V CA 0.230 62.500 62.300 -0.049 0.000 1.074 867 V CB 0.375 32.182 31.823 -0.026 0.000 1.012 867 V HN 0.344 nan 8.190 nan 0.000 0.482 868 D N 2.086 122.429 120.400 -0.095 0.000 2.144 868 D HA 0.156 4.796 4.640 -0.001 0.000 0.207 868 D C 0.485 176.721 176.300 -0.106 0.000 0.970 868 D CA 1.301 55.237 54.000 -0.108 0.000 0.853 868 D CB 0.212 40.947 40.800 -0.108 0.000 1.007 868 D HN 0.544 nan 8.370 nan 0.000 0.469 869 V N 0.619 120.479 119.914 -0.089 0.000 2.876 869 V HA 0.461 4.581 4.120 -0.001 0.000 0.312 869 V C -1.641 174.417 176.094 -0.061 0.000 1.085 869 V CA -1.030 61.216 62.300 -0.090 0.000 0.945 869 V CB 1.982 33.748 31.823 -0.094 0.000 1.017 869 V HN 0.084 nan 8.190 nan 0.000 0.428 870 I N 5.819 126.354 120.570 -0.059 0.000 2.354 870 I HA 0.499 4.668 4.170 -0.001 0.000 0.286 870 I C -0.604 175.525 176.117 0.019 0.000 1.007 870 I CA -0.481 60.813 61.300 -0.009 0.000 1.167 870 I CB 1.188 39.184 38.000 -0.007 0.000 1.320 870 I HN 0.328 nan 8.210 nan 0.000 0.458 871 L N 5.099 126.338 121.223 0.026 0.000 2.312 871 L HA 0.360 4.700 4.340 -0.001 0.000 0.281 871 L C 0.413 177.308 176.870 0.041 0.000 1.070 871 L CA -0.301 54.557 54.840 0.030 0.000 0.805 871 L CB 1.145 43.217 42.059 0.021 0.000 1.174 871 L HN 0.644 nan 8.230 nan 0.000 0.434 872 N N 2.880 121.602 118.700 0.037 0.000 2.475 872 N HA 0.109 4.849 4.740 -0.001 0.000 0.267 872 N C -1.826 173.686 175.510 0.004 0.000 1.169 872 N CA -1.121 51.941 53.050 0.020 0.000 0.947 872 N CB 1.268 39.754 38.487 -0.001 0.000 1.061 872 N HN 0.321 nan 8.380 nan 0.000 0.466 873 P HA -0.122 nan 4.420 nan 0.000 0.215 873 P C 1.168 178.455 177.300 -0.021 0.000 1.157 873 P CA 0.803 63.899 63.100 -0.008 0.000 0.863 873 P CB 0.199 31.895 31.700 -0.006 0.000 0.787 874 L N -0.495 120.704 121.223 -0.040 0.000 2.151 874 L HA -0.166 4.174 4.340 -0.001 0.000 0.215 874 L C 2.364 179.214 176.870 -0.034 0.000 1.084 874 L CA 2.186 56.996 54.840 -0.050 0.000 0.764 874 L CB -1.934 40.071 42.059 -0.089 0.000 0.891 874 L HN 0.056 nan 8.230 nan 0.000 0.435 875 G N -1.816 106.970 108.800 -0.023 0.000 2.776 875 G HA2 0.071 4.031 3.960 -0.001 0.000 0.209 875 G HA3 0.071 4.031 3.960 -0.001 0.000 0.209 875 G C 1.210 176.110 174.900 -0.000 0.000 1.145 875 G CA 0.714 45.811 45.100 -0.005 0.000 0.791 875 G HN 0.328 nan 8.290 nan 0.000 0.530 876 V N -0.248 119.660 119.914 -0.009 0.000 3.612 876 V HA 0.097 4.217 4.120 -0.001 0.000 0.268 876 V C -0.559 175.525 176.094 -0.017 0.000 1.365 876 V CA 0.226 62.519 62.300 -0.011 0.000 1.044 876 V CB 0.711 32.523 31.823 -0.018 0.000 0.820 876 V HN 0.089 nan 8.190 nan 0.000 0.444 877 P HA -0.043 nan 4.420 nan 0.000 0.210 877 P C 2.006 179.297 177.300 -0.016 0.000 1.192 877 P CA 1.546 64.633 63.100 -0.021 0.000 0.913 877 P CB 0.026 31.712 31.700 -0.023 0.000 0.774 878 S N -0.582 115.111 115.700 -0.012 0.000 2.374 878 S HA -0.134 4.335 4.470 -0.001 0.000 0.227 878 S C 0.948 175.547 174.600 -0.000 0.000 1.037 878 S CA 1.205 59.402 58.200 -0.006 0.000 1.024 878 S CB -0.744 62.454 63.200 -0.003 0.000 0.861 878 S HN 0.126 nan 8.310 nan 0.000 0.456 879 R N 0.858 121.359 120.500 0.002 0.000 2.438 879 R HA 0.309 4.649 4.340 -0.001 0.000 0.287 879 R C -0.431 175.871 176.300 0.003 0.000 1.077 879 R CA 0.289 56.394 56.100 0.009 0.000 1.034 879 R CB 0.390 30.700 30.300 0.016 0.000 0.993 879 R HN 0.307 nan 8.270 nan 0.000 0.459 880 M N 3.944 123.549 119.600 0.009 0.000 2.103 880 M HA 0.221 4.701 4.480 -0.001 0.000 0.350 880 M C -0.464 175.841 176.300 0.007 0.000 1.100 880 M CA 0.032 55.333 55.300 0.000 0.000 1.042 880 M CB 0.297 32.899 32.600 0.003 0.000 1.368 880 M HN 0.692 nan 8.290 nan 0.000 0.404 881 N N 2.493 121.184 118.700 -0.014 0.000 2.732 881 N HA 0.193 4.932 4.740 -0.001 0.000 0.230 881 N C -0.232 175.217 175.510 -0.102 0.000 1.487 881 N CA -0.405 52.627 53.050 -0.031 0.000 0.765 881 N CB 0.496 38.989 38.487 0.010 0.000 1.384 881 N HN 0.541 nan 8.380 nan 0.000 0.530 882 L N 0.457 121.623 121.223 -0.096 0.000 2.549 882 L HA 0.068 4.407 4.340 -0.001 0.000 0.229 882 L C 2.389 179.166 176.870 -0.155 0.000 1.158 882 L CA 1.011 55.776 54.840 -0.123 0.000 0.842 882 L CB -0.084 41.896 42.059 -0.132 0.000 0.952 882 L HN 0.721 nan 8.230 nan 0.000 0.452 883 G N -0.404 108.274 108.800 -0.204 0.000 2.442 883 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.219 883 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.219 883 G C 1.377 176.013 174.900 -0.441 0.000 1.141 883 G CA 0.607 45.523 45.100 -0.307 0.000 0.763 883 G HN 0.492 nan 8.290 nan 0.000 0.554 884 Q N -0.010 119.439 119.800 -0.584 0.000 2.050 884 Q HA -0.027 4.313 4.340 -0.001 0.000 0.202 884 Q C 2.448 178.405 176.000 -0.071 0.000 0.980 884 Q CA 0.964 56.691 55.803 -0.127 0.000 0.840 884 Q CB -0.297 28.441 28.738 0.001 0.000 0.898 884 Q HN 0.369 nan 8.270 nan 0.000 0.424 885 I N 0.638 121.111 120.570 -0.162 0.000 2.567 885 I HA -0.180 3.990 4.170 -0.001 0.000 0.257 885 I C 2.029 177.840 176.117 -0.510 0.000 1.184 885 I CA 0.933 62.064 61.300 -0.282 0.000 1.451 885 I CB -0.701 37.148 38.000 -0.252 0.000 1.089 885 I HN 0.222 nan 8.210 nan 0.000 0.441 886 L N 0.528 121.578 121.223 -0.289 0.000 2.209 886 L HA -0.059 4.280 4.340 -0.001 0.000 0.207 886 L C 2.470 179.402 176.870 0.104 0.000 1.094 886 L CA 1.341 56.025 54.840 -0.260 0.000 0.790 886 L CB -0.509 41.261 42.059 -0.482 0.000 0.932 886 L HN 0.241 nan 8.230 nan 0.000 0.447 887 E N -1.491 118.855 120.200 0.244 0.000 2.107 887 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 887 E C 1.618 178.321 176.600 0.171 0.000 0.982 887 E CA 1.454 58.026 56.400 0.285 0.000 0.809 887 E CB 0.098 29.974 29.700 0.294 0.000 0.756 887 E HN 0.383 nan 8.360 nan 0.000 0.459 888 T N -0.277 114.334 114.554 0.095 0.000 2.904 888 T HA -0.074 4.276 4.350 -0.001 0.000 0.267 888 T C 1.286 176.097 174.700 0.186 0.000 1.059 888 T CA 1.146 63.314 62.100 0.113 0.000 1.137 888 T CB -0.282 68.632 68.868 0.077 0.000 0.879 888 T HN 0.396 nan 8.240 nan 0.000 0.467 889 H N 0.463 119.546 119.070 0.022 0.000 2.307 889 H HA 0.092 4.647 4.556 -0.001 0.000 0.303 889 H C 2.423 177.746 175.328 -0.008 0.000 1.073 889 H CA 1.157 57.186 56.048 -0.032 0.000 1.338 889 H CB -0.086 29.638 29.762 -0.063 0.000 1.389 889 H HN 0.211 nan 8.280 nan 0.000 0.503 890 L N 0.628 121.940 121.223 0.148 0.000 2.141 890 L HA 0.002 4.342 4.340 -0.001 0.000 0.209 890 L C 2.410 179.336 176.870 0.094 0.000 1.094 890 L CA 1.520 56.374 54.840 0.023 0.000 0.763 890 L CB -0.457 41.573 42.059 -0.047 0.000 0.908 890 L HN 0.195 nan 8.230 nan 0.000 0.437 891 G N 0.702 109.607 108.800 0.175 0.000 2.418 891 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.217 891 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.217 891 G C 1.505 176.569 174.900 0.274 0.000 1.158 891 G CA 0.908 46.152 45.100 0.241 0.000 0.771 891 G HN 0.436 nan 8.290 nan 0.000 0.545 892 L N 1.577 122.928 121.223 0.213 0.000 2.013 892 L HA -0.002 4.338 4.340 -0.001 0.000 0.212 892 L C 2.930 180.056 176.870 0.427 0.000 1.073 892 L CA 2.456 57.445 54.840 0.248 0.000 0.753 892 L CB -0.900 41.188 42.059 0.049 0.000 0.890 892 L HN 0.235 nan 8.230 nan 0.000 0.432 893 A N -0.187 122.839 122.820 0.343 0.000 1.858 893 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 893 A C 2.405 180.295 177.584 0.511 0.000 1.190 893 A CA 1.687 53.976 52.037 0.420 0.000 0.617 893 A CB -1.765 17.397 19.000 0.269 0.000 0.827 893 A HN 0.565 nan 8.150 nan 0.000 0.443 894 G N -2.016 107.126 108.800 0.570 0.000 2.475 894 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.220 894 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.220 894 G C 1.509 176.630 174.900 0.367 0.000 1.125 894 G CA 1.370 46.819 45.100 0.582 0.000 0.755 894 G HN 0.555 nan 8.290 nan 0.000 0.565 895 Y N 0.438 120.879 120.300 0.235 0.000 2.163 895 Y HA 0.020 4.569 4.550 -0.000 0.000 0.288 895 Y C 2.121 177.969 175.900 -0.086 0.000 1.136 895 Y CA 1.303 59.424 58.100 0.035 0.000 1.147 895 Y CB -0.210 38.233 38.460 -0.028 0.000 0.987 895 Y HN 0.186 nan 8.280 nan 0.000 0.509 896 F N -1.217 118.851 119.950 0.196 0.000 2.698 896 F HA 0.095 4.622 4.527 -0.001 0.000 0.295 896 F C 1.589 177.442 175.800 0.089 0.000 1.124 896 F CA 0.471 58.521 58.000 0.084 0.000 1.426 896 F CB -0.033 39.062 39.000 0.157 0.000 1.120 896 F HN -0.054 nan 8.300 nan 0.000 0.583 897 L N -0.471 120.932 121.223 0.300 0.000 2.607 897 L HA 0.297 4.637 4.340 -0.001 0.000 0.228 897 L C 1.192 178.129 176.870 0.111 0.000 1.123 897 L CA 0.126 55.098 54.840 0.221 0.000 0.890 897 L CB -0.784 41.453 42.059 0.298 0.000 1.103 897 L HN 0.213 nan 8.230 nan 0.000 0.468 898 G N 2.234 111.065 108.800 0.052 0.000 2.369 898 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.286 898 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.286 898 G C -0.061 174.816 174.900 -0.039 0.000 0.938 898 G CA 0.647 45.734 45.100 -0.022 0.000 1.271 898 G HN 0.645 nan 8.290 nan 0.000 0.488 899 Q N -2.072 117.684 119.800 -0.074 0.000 2.479 899 Q HA 0.734 5.074 4.340 -0.001 0.000 0.276 899 Q C -0.595 175.094 176.000 -0.518 0.000 0.989 899 Q CA -1.368 54.279 55.803 -0.260 0.000 0.864 899 Q CB 1.308 29.868 28.738 -0.297 0.000 1.444 899 Q HN 0.188 nan 8.270 nan 0.000 0.388 900 R N 0.601 120.793 120.500 -0.512 0.000 2.573 900 R HA 0.697 5.037 4.340 -0.001 0.000 0.272 900 R C -1.363 174.526 176.300 -0.685 0.000 1.009 900 R CA -0.064 55.761 56.100 -0.457 0.000 1.059 900 R CB 0.909 31.078 30.300 -0.219 0.000 1.112 900 R HN 0.675 nan 8.270 nan 0.000 0.517 901 Y N 0.663 120.988 120.300 0.042 0.000 2.669 901 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 901 Y C -0.431 175.514 175.900 0.075 0.000 1.116 901 Y CA -1.111 57.052 58.100 0.105 0.000 1.081 901 Y CB 1.358 40.035 38.460 0.362 0.000 1.297 901 Y HN 0.246 nan 8.280 nan 0.000 0.484 902 I N 1.028 121.801 120.570 0.338 0.000 2.517 902 I HA 0.315 4.485 4.170 -0.001 0.000 0.280 902 I C -1.020 175.300 176.117 0.339 0.000 1.061 902 I CA -0.482 60.930 61.300 0.186 0.000 1.091 902 I CB 1.551 39.587 38.000 0.059 0.000 1.205 902 I HN 0.384 nan 8.210 nan 0.000 0.459 903 S N 6.960 122.740 115.700 0.134 0.000 2.404 903 S HA 0.408 4.877 4.470 -0.001 0.000 0.309 903 S C -2.207 172.360 174.600 -0.054 0.000 1.076 903 S CA -1.110 57.101 58.200 0.018 0.000 1.095 903 S CB 0.746 63.690 63.200 -0.426 0.000 0.972 903 S HN 0.307 nan 8.310 nan 0.000 0.484 904 P HA 0.096 nan 4.420 nan 0.000 0.272 904 P C 1.097 178.366 177.300 -0.050 0.000 1.248 904 P CA -0.367 62.740 63.100 0.012 0.000 0.799 904 P CB 0.421 32.166 31.700 0.075 0.000 0.997 905 I N -0.315 120.194 120.570 -0.101 0.000 2.044 905 I HA -0.255 3.915 4.170 -0.001 0.000 0.234 905 I C 1.930 177.833 176.117 -0.356 0.000 1.031 905 I CA 2.155 63.289 61.300 -0.276 0.000 1.305 905 I CB -0.933 36.881 38.000 -0.310 0.000 1.026 905 I HN 0.388 nan 8.210 nan 0.000 0.392 906 F N -1.702 118.253 119.950 0.008 0.000 2.727 906 F HA 0.091 4.617 4.527 -0.000 0.000 0.302 906 F C 1.844 177.668 175.800 0.040 0.000 1.107 906 F CA 0.079 58.094 58.000 0.025 0.000 1.277 906 F CB 0.128 39.134 39.000 0.011 0.000 1.079 906 F HN 0.027 nan 8.300 nan 0.000 0.594 907 D N -0.156 120.366 120.400 0.204 0.000 2.346 907 D HA 0.114 4.754 4.640 -0.001 0.000 0.206 907 D C 1.956 178.344 176.300 0.147 0.000 1.001 907 D CA 0.561 54.658 54.000 0.161 0.000 0.871 907 D CB -0.093 40.793 40.800 0.142 0.000 0.943 907 D HN 0.130 nan 8.370 nan 0.000 0.518 908 G N 0.575 109.453 108.800 0.131 0.000 1.905 908 G HA2 0.085 4.045 3.960 -0.001 0.000 0.841 908 G HA3 0.085 4.045 3.960 -0.001 0.000 0.841 908 G C 0.433 175.386 174.900 0.089 0.000 1.285 908 G CA 0.341 45.523 45.100 0.137 0.000 1.148 908 G HN 0.366 nan 8.290 nan 0.000 0.549 909 A N -1.298 121.381 122.820 -0.234 0.000 2.332 909 A HA 0.627 4.946 4.320 -0.001 0.000 0.258 909 A C 0.284 177.741 177.584 -0.210 0.000 1.087 909 A CA 0.299 51.992 52.037 -0.573 0.000 0.802 909 A CB 0.880 19.009 19.000 -1.453 0.000 1.042 909 A HN 0.632 nan 8.150 nan 0.000 0.489 910 K N -0.285 120.033 120.400 -0.136 0.000 2.435 910 K HA 0.359 4.679 4.320 -0.001 0.000 0.251 910 K C 0.702 177.250 176.600 -0.086 0.000 0.954 910 K CA -0.324 55.907 56.287 -0.092 0.000 0.820 910 K CB 1.529 34.026 32.500 -0.006 0.000 1.292 910 K HN 0.734 nan 8.250 nan 0.000 0.436 911 E N 2.146 122.295 120.200 -0.085 0.000 2.136 911 E HA -0.231 4.118 4.350 -0.001 0.000 0.208 911 E C -1.193 175.394 176.600 -0.022 0.000 1.035 911 E CA 2.440 58.806 56.400 -0.058 0.000 0.838 911 E CB -0.368 29.310 29.700 -0.036 0.000 0.748 911 E HN 0.505 nan 8.360 nan 0.000 0.459 912 P HA -0.167 nan 4.420 nan 0.000 0.214 912 P C 0.551 177.875 177.300 0.041 0.000 1.162 912 P CA 1.792 64.904 63.100 0.020 0.000 0.879 912 P CB -0.050 31.667 31.700 0.027 0.000 0.786 913 E N -0.823 119.412 120.200 0.058 0.000 2.130 913 E HA -0.189 4.161 4.350 -0.001 0.000 0.196 913 E C 1.815 178.478 176.600 0.105 0.000 0.998 913 E CA 1.073 57.542 56.400 0.114 0.000 0.806 913 E CB -0.739 29.070 29.700 0.182 0.000 0.738 913 E HN 0.222 nan 8.360 nan 0.000 0.459 914 I N 1.413 122.003 120.570 0.033 0.000 2.202 914 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 914 I C 2.090 178.232 176.117 0.042 0.000 1.091 914 I CA 1.217 62.525 61.300 0.014 0.000 1.368 914 I CB -0.265 37.712 38.000 -0.039 0.000 1.058 914 I HN -0.111 nan 8.210 nan 0.000 0.410 915 K N 0.296 120.714 120.400 0.029 0.000 2.160 915 K HA -0.231 4.089 4.320 -0.001 0.000 0.206 915 K C 2.048 178.693 176.600 0.076 0.000 1.047 915 K CA 1.204 57.511 56.287 0.033 0.000 0.930 915 K CB -0.380 32.128 32.500 0.013 0.000 0.720 915 K HN 0.288 nan 8.250 nan 0.000 0.450 916 E N 1.169 121.420 120.200 0.085 0.000 2.017 916 E HA -0.086 4.264 4.350 -0.001 0.000 0.193 916 E C 2.040 178.726 176.600 0.143 0.000 0.997 916 E CA 1.112 57.576 56.400 0.107 0.000 0.804 916 E CB -0.331 29.434 29.700 0.108 0.000 0.757 916 E HN 0.240 nan 8.360 nan 0.000 0.448 917 L N -0.049 121.268 121.223 0.157 0.000 2.079 917 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 917 L C 2.435 179.452 176.870 0.245 0.000 1.081 917 L CA 0.562 55.520 54.840 0.197 0.000 0.752 917 L CB -0.577 41.585 42.059 0.171 0.000 0.896 917 L HN 0.175 nan 8.230 nan 0.000 0.433 918 L N 0.289 121.654 121.223 0.236 0.000 2.046 918 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 918 L C 2.767 179.899 176.870 0.437 0.000 1.077 918 L CA 1.941 57.012 54.840 0.386 0.000 0.747 918 L CB -0.958 41.229 42.059 0.213 0.000 0.896 918 L HN 0.198 nan 8.230 nan 0.000 0.432 919 A N -1.706 121.268 122.820 0.256 0.000 1.978 919 A HA -0.249 4.070 4.320 -0.001 0.000 0.220 919 A C 2.237 179.939 177.584 0.198 0.000 1.170 919 A CA 1.605 53.757 52.037 0.192 0.000 0.636 919 A CB -0.436 18.638 19.000 0.123 0.000 0.810 919 A HN 0.547 nan 8.150 nan 0.000 0.448 920 Q N -1.176 118.745 119.800 0.202 0.000 2.172 920 Q HA -0.025 4.315 4.340 -0.001 0.000 0.200 920 Q C 2.359 178.474 176.000 0.192 0.000 0.964 920 Q CA 1.073 56.984 55.803 0.181 0.000 0.855 920 Q CB -0.202 28.646 28.738 0.184 0.000 0.918 920 Q HN 0.689 nan 8.270 nan 0.000 0.444 921 A N 0.044 123.018 122.820 0.256 0.000 1.968 921 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 921 A C 1.727 179.286 177.584 -0.042 0.000 1.169 921 A CA 0.552 52.737 52.037 0.247 0.000 0.638 921 A CB -0.576 18.722 19.000 0.496 0.000 0.812 921 A HN 0.359 nan 8.150 nan 0.000 0.446 922 F N 0.951 120.673 119.950 -0.380 0.000 2.126 922 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 922 F C 2.146 177.831 175.800 -0.191 0.000 1.096 922 F CA 2.079 59.722 58.000 -0.596 0.000 1.255 922 F CB -0.287 38.430 39.000 -0.473 0.000 0.997 922 F HN 0.260 nan 8.300 nan 0.000 0.479 923 E N -0.229 119.954 120.200 -0.028 0.000 2.110 923 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 923 E C 2.219 178.789 176.600 -0.050 0.000 0.988 923 E CA 1.426 57.805 56.400 -0.035 0.000 0.804 923 E CB -0.372 29.360 29.700 0.052 0.000 0.745 923 E HN 0.276 nan 8.360 nan 0.000 0.458 924 V N 0.056 119.980 119.914 0.016 0.000 2.548 924 V HA -0.210 3.909 4.120 -0.001 0.000 0.249 924 V C 2.021 178.182 176.094 0.112 0.000 1.055 924 V CA 1.772 64.127 62.300 0.092 0.000 1.065 924 V CB -0.720 31.223 31.823 0.200 0.000 0.681 924 V HN 0.360 nan 8.190 nan 0.000 0.462 925 Y N -0.373 119.772 120.300 -0.258 0.000 2.138 925 Y HA -0.206 4.344 4.550 -0.001 0.000 0.286 925 Y C 2.333 178.012 175.900 -0.368 0.000 1.115 925 Y CA 1.846 59.685 58.100 -0.435 0.000 1.105 925 Y CB -0.070 37.855 38.460 -0.893 0.000 1.004 925 Y HN 0.248 nan 8.280 nan 0.000 0.494 926 F N 0.616 120.068 119.950 -0.829 0.000 2.569 926 F HA 0.176 4.703 4.527 -0.000 0.000 0.295 926 F C 2.100 177.614 175.800 -0.477 0.000 1.115 926 F CA 1.013 58.479 58.000 -0.891 0.000 1.450 926 F CB -0.384 37.708 39.000 -1.513 0.000 1.107 926 F HN 0.061 nan 8.300 nan 0.000 0.563 927 G N 0.137 108.764 108.800 -0.288 0.000 2.402 927 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.216 927 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.216 927 G C 1.700 176.478 174.900 -0.204 0.000 1.162 927 G CA 0.770 45.757 45.100 -0.188 0.000 0.777 927 G HN 0.335 nan 8.290 nan 0.000 0.539 928 K N 0.110 120.418 120.400 -0.153 0.000 2.097 928 K HA -0.013 4.307 4.320 -0.001 0.000 0.206 928 K C 2.654 179.161 176.600 -0.155 0.000 1.049 928 K CA 0.593 56.820 56.287 -0.100 0.000 0.933 928 K CB -0.090 32.400 32.500 -0.016 0.000 0.717 928 K HN 0.070 nan 8.250 nan 0.000 0.442 929 R N 0.732 121.062 120.500 -0.284 0.000 2.081 929 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 929 R C 2.160 178.238 176.300 -0.371 0.000 1.131 929 R CA 1.476 57.369 56.100 -0.345 0.000 0.960 929 R CB -0.167 29.780 30.300 -0.589 0.000 0.856 929 R HN 0.230 nan 8.270 nan 0.000 0.436 930 K N -0.701 119.377 120.400 -0.536 0.000 2.026 930 K HA -0.097 4.222 4.320 -0.001 0.000 0.208 930 K C 2.137 178.618 176.600 -0.197 0.000 1.048 930 K CA 1.498 57.554 56.287 -0.384 0.000 0.929 930 K CB -0.298 32.000 32.500 -0.337 0.000 0.713 930 K HN 0.264 nan 8.250 nan 0.000 0.439 931 G N 0.911 109.617 108.800 -0.157 0.000 2.403 931 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.216 931 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.216 931 G C 1.114 175.972 174.900 -0.071 0.000 1.154 931 G CA 0.320 45.362 45.100 -0.096 0.000 0.784 931 G HN 0.281 nan 8.290 nan 0.000 0.538 932 E N -0.305 119.864 120.200 -0.052 0.000 2.267 932 E HA 0.056 4.405 4.350 -0.001 0.000 0.197 932 E C 1.932 178.553 176.600 0.035 0.000 0.998 932 E CA 0.606 57.015 56.400 0.015 0.000 0.830 932 E CB -0.062 29.669 29.700 0.051 0.000 0.751 932 E HN 0.504 nan 8.360 nan 0.000 0.491 933 G N -0.771 107.998 108.800 -0.051 0.000 2.367 933 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.181 933 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.181 933 G C -0.127 174.474 174.900 -0.499 0.000 1.000 933 G CA -0.456 44.479 45.100 -0.274 0.000 0.693 933 G HN 0.104 nan 8.290 nan 0.000 0.480 934 F N 0.128 120.014 119.950 -0.107 0.000 2.611 934 F HA 0.792 5.318 4.527 -0.001 0.000 0.324 934 F C 1.090 176.807 175.800 -0.138 0.000 1.061 934 F CA -0.077 57.870 58.000 -0.088 0.000 0.954 934 F CB 1.516 40.483 39.000 -0.055 0.000 1.301 934 F HN 0.173 nan 8.300 nan 0.000 0.482 935 G N 0.029 108.910 108.800 0.134 0.000 3.392 935 G HA2 0.537 4.497 3.960 -0.001 0.000 0.188 935 G HA3 0.537 4.497 3.960 -0.001 0.000 0.188 935 G C -0.689 174.313 174.900 0.170 0.000 1.485 935 G CA -0.046 45.113 45.100 0.098 0.000 0.943 935 G HN 0.706 nan 8.290 nan 0.000 0.627 936 V N -0.976 119.054 119.914 0.193 0.000 2.612 936 V HA 0.626 4.745 4.120 -0.001 0.000 0.301 936 V C -0.865 175.316 176.094 0.145 0.000 1.046 936 V CA -0.901 61.511 62.300 0.186 0.000 0.946 936 V CB 1.535 33.457 31.823 0.165 0.000 1.003 936 V HN 0.372 nan 8.190 nan 0.000 0.459 937 D N 1.636 122.125 120.400 0.147 0.000 2.354 937 D HA 0.285 4.924 4.640 -0.001 0.000 0.247 937 D C 1.016 177.359 176.300 0.072 0.000 1.138 937 D CA -0.103 53.969 54.000 0.121 0.000 0.958 937 D CB 1.637 42.541 40.800 0.174 0.000 1.144 937 D HN 0.857 nan 8.370 nan 0.000 0.458 938 K N 0.752 121.172 120.400 0.033 0.000 2.148 938 K HA -0.110 4.209 4.320 -0.001 0.000 0.204 938 K C 1.573 178.165 176.600 -0.015 0.000 1.050 938 K CA 1.078 57.371 56.287 0.009 0.000 0.942 938 K CB 0.267 32.763 32.500 -0.006 0.000 0.724 938 K HN 0.218 nan 8.250 nan 0.000 0.446 939 R N 1.078 121.543 120.500 -0.058 0.000 2.061 939 R HA -0.113 4.227 4.340 -0.001 0.000 0.230 939 R C 2.136 178.437 176.300 0.001 0.000 1.140 939 R CA 1.886 57.912 56.100 -0.122 0.000 0.940 939 R CB -0.956 29.086 30.300 -0.431 0.000 0.839 939 R HN 0.417 nan 8.270 nan 0.000 0.429 940 E N 0.780 121.036 120.200 0.094 0.000 2.171 940 E HA -0.141 4.209 4.350 -0.001 0.000 0.197 940 E C 2.034 178.687 176.600 0.088 0.000 0.997 940 E CA 1.444 57.933 56.400 0.148 0.000 0.810 940 E CB -0.025 29.783 29.700 0.180 0.000 0.738 940 E HN 0.084 nan 8.360 nan 0.000 0.467 941 V N 0.583 120.534 119.914 0.061 0.000 2.535 941 V HA -0.144 3.976 4.120 -0.001 0.000 0.246 941 V C 2.092 178.202 176.094 0.026 0.000 1.045 941 V CA 1.339 63.664 62.300 0.041 0.000 1.058 941 V CB -0.219 31.626 31.823 0.036 0.000 0.689 941 V HN 0.107 nan 8.190 nan 0.000 0.461 942 E N 0.370 120.580 120.200 0.017 0.000 2.058 942 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 942 E C 2.171 178.779 176.600 0.013 0.000 0.997 942 E CA 1.571 57.975 56.400 0.006 0.000 0.801 942 E CB -0.593 29.100 29.700 -0.010 0.000 0.746 942 E HN 0.328 nan 8.360 nan 0.000 0.450 943 V N 0.007 119.937 119.914 0.026 0.000 2.594 943 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 943 V C 2.032 178.145 176.094 0.030 0.000 1.069 943 V CA 1.377 63.699 62.300 0.036 0.000 1.082 943 V CB -0.220 31.644 31.823 0.068 0.000 0.680 943 V HN 0.297 nan 8.190 nan 0.000 0.469 944 L N 0.096 121.336 121.223 0.029 0.000 2.056 944 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 944 L C 2.797 179.672 176.870 0.008 0.000 1.078 944 L CA 2.051 56.901 54.840 0.017 0.000 0.749 944 L CB -0.706 41.362 42.059 0.015 0.000 0.901 944 L HN 0.380 nan 8.230 nan 0.000 0.433 945 R N 0.997 121.502 120.500 0.008 0.000 2.103 945 R HA -0.232 4.107 4.340 -0.001 0.000 0.234 945 R C 2.299 178.600 176.300 0.001 0.000 1.132 945 R CA 2.009 58.111 56.100 0.003 0.000 0.925 945 R CB -0.421 29.881 30.300 0.003 0.000 0.842 945 R HN 0.267 nan 8.270 nan 0.000 0.430 946 R N -0.036 120.466 120.500 0.003 0.000 2.159 946 R HA -0.113 4.226 4.340 -0.001 0.000 0.237 946 R C 2.283 178.584 176.300 0.001 0.000 1.131 946 R CA 1.310 57.411 56.100 0.002 0.000 0.982 946 R CB -0.306 29.996 30.300 0.004 0.000 0.868 946 R HN 0.428 nan 8.270 nan 0.000 0.453 947 A N 1.068 123.890 122.820 0.003 0.000 1.930 947 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 947 A C 1.791 179.370 177.584 -0.008 0.000 1.176 947 A CA 0.918 52.954 52.037 -0.001 0.000 0.632 947 A CB -0.066 18.935 19.000 0.002 0.000 0.819 947 A HN 0.271 nan 8.150 nan 0.000 0.445 948 E N -0.100 120.096 120.200 -0.008 0.000 2.107 948 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 948 E C 1.744 178.338 176.600 -0.010 0.000 0.982 948 E CA 0.924 57.317 56.400 -0.011 0.000 0.809 948 E CB -0.094 29.600 29.700 -0.010 0.000 0.756 948 E HN 0.492 nan 8.360 nan 0.000 0.459 949 K N 0.384 120.779 120.400 -0.007 0.000 2.442 949 K HA -0.049 4.271 4.320 -0.001 0.000 0.198 949 K C 1.723 178.318 176.600 -0.008 0.000 1.042 949 K CA 0.240 56.522 56.287 -0.007 0.000 0.958 949 K CB 0.221 32.717 32.500 -0.005 0.000 0.766 949 K HN 0.074 nan 8.250 nan 0.000 0.474 950 L N -0.748 120.470 121.223 -0.009 0.000 2.200 950 L HA 0.080 4.420 4.340 -0.001 0.000 0.200 950 L C 1.081 177.944 176.870 -0.012 0.000 1.072 950 L CA 1.956 56.791 54.840 -0.010 0.000 0.787 950 L CB -0.176 41.878 42.059 -0.008 0.000 0.957 950 L HN 0.409 nan 8.230 nan 0.000 0.459 951 G N -1.123 107.669 108.800 -0.014 0.000 2.188 951 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.112 951 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.112 951 G C 0.497 175.384 174.900 -0.021 0.000 1.048 951 G CA 0.080 45.170 45.100 -0.017 0.000 0.720 951 G HN 0.158 nan 8.290 nan 0.000 0.487 952 L N -0.251 120.959 121.223 -0.023 0.000 2.537 952 L HA 0.328 4.668 4.340 -0.001 0.000 0.224 952 L C 1.022 177.870 176.870 -0.037 0.000 1.065 952 L CA 1.063 55.885 54.840 -0.030 0.000 0.860 952 L CB 0.109 42.151 42.059 -0.027 0.000 1.086 952 L HN 0.393 nan 8.230 nan 0.000 0.482 953 V N -1.798 118.096 119.914 -0.033 0.000 2.588 953 V HA 0.422 4.542 4.120 -0.001 0.000 0.304 953 V C 0.301 176.375 176.094 -0.033 0.000 1.042 953 V CA -0.985 61.291 62.300 -0.040 0.000 0.877 953 V CB 0.891 32.690 31.823 -0.041 0.000 0.996 953 V HN 0.326 nan 8.190 nan 0.000 0.425 954 T N 2.574 117.107 114.554 -0.035 0.000 2.758 954 T HA 0.256 4.606 4.350 -0.001 0.000 0.281 954 T C -2.279 172.406 174.700 -0.025 0.000 0.963 954 T CA -0.766 61.317 62.100 -0.028 0.000 1.201 954 T CB 0.010 68.861 68.868 -0.029 0.000 0.906 954 T HN 0.627 nan 8.240 nan 0.000 0.528 955 P HA 0.328 nan 4.420 nan 0.000 0.265 955 P C 1.175 178.467 177.300 -0.014 0.000 1.193 955 P CA 0.747 63.838 63.100 -0.015 0.000 0.765 955 P CB 0.351 32.044 31.700 -0.012 0.000 0.823 956 G N 1.152 109.945 108.800 -0.013 0.000 2.179 956 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.220 956 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.220 956 G C 0.128 175.020 174.900 -0.012 0.000 0.990 956 G CA -0.202 44.892 45.100 -0.010 0.000 0.646 956 G HN 0.638 nan 8.290 nan 0.000 0.517 957 K N 0.775 121.164 120.400 -0.018 0.000 2.123 957 K HA 0.626 4.945 4.320 -0.001 0.000 0.248 957 K C 0.727 177.314 176.600 -0.022 0.000 0.969 957 K CA 0.132 56.405 56.287 -0.022 0.000 0.882 957 K CB 1.120 33.600 32.500 -0.033 0.000 1.080 957 K HN 0.097 nan 8.250 nan 0.000 0.441 958 T N 2.098 116.640 114.554 -0.020 0.000 2.932 958 T HA 0.105 4.455 4.350 -0.001 0.000 0.312 958 T C -1.870 172.811 174.700 -0.032 0.000 1.071 958 T CA -1.241 60.850 62.100 -0.015 0.000 1.128 958 T CB 0.614 69.479 68.868 -0.005 0.000 0.984 958 T HN 0.370 nan 8.240 nan 0.000 0.549 959 P HA -0.105 nan 4.420 nan 0.000 0.217 959 P C 1.265 178.506 177.300 -0.098 0.000 1.148 959 P CA 1.123 64.203 63.100 -0.033 0.000 0.828 959 P CB 0.131 31.836 31.700 0.009 0.000 0.783 960 E N 0.421 120.555 120.200 -0.109 0.000 2.051 960 E HA -0.220 4.129 4.350 -0.001 0.000 0.192 960 E C 1.958 178.437 176.600 -0.201 0.000 0.991 960 E CA 1.555 57.804 56.400 -0.251 0.000 0.799 960 E CB -0.937 28.713 29.700 -0.083 0.000 0.748 960 E HN 0.158 nan 8.360 nan 0.000 0.449 961 E N -0.433 119.696 120.200 -0.119 0.000 2.107 961 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 961 E C 2.098 178.597 176.600 -0.168 0.000 0.982 961 E CA 0.826 57.153 56.400 -0.121 0.000 0.809 961 E CB 0.044 29.703 29.700 -0.068 0.000 0.756 961 E HN 0.396 nan 8.360 nan 0.000 0.459 962 Q N 0.399 120.118 119.800 -0.137 0.000 2.046 962 Q HA -0.101 4.239 4.340 -0.001 0.000 0.200 962 Q C 2.496 178.393 176.000 -0.172 0.000 0.975 962 Q CA 0.733 56.462 55.803 -0.124 0.000 0.836 962 Q CB -0.425 28.268 28.738 -0.074 0.000 0.896 962 Q HN 0.277 nan 8.270 nan 0.000 0.428 963 L N 1.177 122.287 121.223 -0.190 0.000 2.079 963 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 963 L C 2.630 179.168 176.870 -0.552 0.000 1.081 963 L CA 1.460 56.185 54.840 -0.191 0.000 0.752 963 L CB -0.344 41.691 42.059 -0.040 0.000 0.896 963 L HN 0.202 nan 8.230 nan 0.000 0.433 964 K N -0.022 119.811 120.400 -0.945 0.000 2.009 964 K HA -0.289 4.030 4.320 -0.001 0.000 0.210 964 K C 2.096 178.358 176.600 -0.562 0.000 1.049 964 K CA 1.919 57.391 56.287 -1.358 0.000 0.929 964 K CB -0.099 31.894 32.500 -0.845 0.000 0.714 964 K HN 0.090 nan 8.250 nan 0.000 0.440 965 E N 0.475 120.475 120.200 -0.333 0.000 2.097 965 E HA -0.197 4.152 4.350 -0.001 0.000 0.196 965 E C 1.850 178.363 176.600 -0.144 0.000 1.000 965 E CA 1.227 57.518 56.400 -0.183 0.000 0.804 965 E CB -0.189 29.431 29.700 -0.133 0.000 0.740 965 E HN 0.253 nan 8.360 nan 0.000 0.454 966 L N -0.471 120.666 121.223 -0.143 0.000 2.156 966 L HA 0.011 4.351 4.340 -0.001 0.000 0.208 966 L C 2.045 178.878 176.870 -0.061 0.000 1.095 966 L CA 1.375 56.165 54.840 -0.084 0.000 0.770 966 L CB -0.860 41.171 42.059 -0.047 0.000 0.914 966 L HN 0.253 nan 8.230 nan 0.000 0.439 967 F N -0.382 119.423 119.950 -0.241 0.000 2.146 967 F HA -0.175 4.351 4.527 -0.000 0.000 0.298 967 F C 2.140 177.844 175.800 -0.160 0.000 1.096 967 F CA 1.244 59.148 58.000 -0.161 0.000 1.275 967 F CB -0.048 38.838 39.000 -0.189 0.000 1.008 967 F HN -0.032 nan 8.300 nan 0.000 0.480 968 L N -0.028 121.190 121.223 -0.008 0.000 2.127 968 L HA -0.237 4.103 4.340 -0.001 0.000 0.211 968 L C 2.195 178.958 176.870 -0.178 0.000 1.089 968 L CA 0.896 55.701 54.840 -0.058 0.000 0.757 968 L CB -1.010 41.023 42.059 -0.044 0.000 0.899 968 L HN 0.208 nan 8.230 nan 0.000 0.434 969 Q N 0.292 119.977 119.800 -0.192 0.000 2.500 969 Q HA -0.038 4.302 4.340 -0.001 0.000 0.213 969 Q C 1.718 177.475 176.000 -0.406 0.000 0.974 969 Q CA 1.041 56.716 55.803 -0.214 0.000 0.918 969 Q CB -0.031 28.623 28.738 -0.140 0.000 0.980 969 Q HN 0.673 nan 8.270 nan 0.000 0.505 970 G N 1.035 109.506 108.800 -0.549 0.000 2.175 970 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.244 970 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.244 970 G C -0.124 174.466 174.900 -0.518 0.000 0.982 970 G CA 0.273 44.875 45.100 -0.830 0.000 0.641 970 G HN 0.383 nan 8.290 nan 0.000 0.527 971 K N -0.020 120.183 120.400 -0.328 0.000 2.318 971 K HA 0.817 5.136 4.320 -0.001 0.000 0.249 971 K C -0.127 176.440 176.600 -0.056 0.000 0.942 971 K CA -0.647 55.548 56.287 -0.152 0.000 0.808 971 K CB 3.293 35.751 32.500 -0.070 0.000 1.189 971 K HN 0.781 nan 8.250 nan 0.000 0.428 972 V N -1.732 118.205 119.914 0.038 0.000 3.102 972 V HA 0.536 4.656 4.120 -0.001 0.000 0.312 972 V C -0.340 175.846 176.094 0.153 0.000 1.135 972 V CA -1.089 61.321 62.300 0.183 0.000 1.022 972 V CB 1.797 33.810 31.823 0.316 0.000 1.056 972 V HN 0.512 nan 8.190 nan 0.000 0.436 973 V N 2.825 122.852 119.914 0.187 0.000 2.686 973 V HA 0.473 4.593 4.120 -0.001 0.000 0.295 973 V C -0.048 176.133 176.094 0.145 0.000 1.055 973 V CA 0.005 62.411 62.300 0.177 0.000 1.050 973 V CB 1.015 32.969 31.823 0.220 0.000 0.984 973 V HN 0.763 nan 8.190 nan 0.000 0.482 974 L N 4.584 125.913 121.223 0.177 0.000 2.401 974 L HA 0.607 4.947 4.340 -0.001 0.000 0.266 974 L C -1.003 176.092 176.870 0.374 0.000 0.991 974 L CA -0.366 54.552 54.840 0.130 0.000 0.818 974 L CB 2.027 44.151 42.059 0.108 0.000 1.321 974 L HN 0.457 nan 8.230 nan 0.000 0.413 975 Y N 1.487 121.817 120.300 0.051 0.000 2.376 975 Y HA 0.213 4.762 4.550 -0.001 0.000 0.325 975 Y C 1.232 177.268 175.900 0.226 0.000 1.199 975 Y CA -1.163 57.024 58.100 0.146 0.000 1.206 975 Y CB 0.591 39.184 38.460 0.221 0.000 1.229 975 Y HN 0.675 nan 8.280 nan 0.000 0.480 976 D N 1.161 121.767 120.400 0.342 0.000 2.123 976 D HA -0.147 4.492 4.640 -0.001 0.000 0.196 976 D C 1.745 178.218 176.300 0.289 0.000 0.992 976 D CA 2.129 56.285 54.000 0.260 0.000 0.833 976 D CB 0.131 41.024 40.800 0.155 0.000 0.954 976 D HN 0.977 nan 8.370 nan 0.000 0.455 977 G N 0.348 109.312 108.800 0.272 0.000 2.299 977 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.237 977 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.237 977 G C 1.492 176.445 174.900 0.087 0.000 1.027 977 G CA 0.513 45.694 45.100 0.135 0.000 0.619 977 G HN 0.439 nan 8.290 nan 0.000 0.513 978 R N -0.531 120.048 120.500 0.130 0.000 2.189 978 R HA 0.290 4.630 4.340 -0.001 0.000 0.203 978 R C 2.261 178.603 176.300 0.070 0.000 1.012 978 R CA 1.372 57.533 56.100 0.101 0.000 1.015 978 R CB 0.011 30.390 30.300 0.133 0.000 0.938 978 R HN 0.348 nan 8.270 nan 0.000 0.472 979 T N -1.733 112.866 114.554 0.074 0.000 2.986 979 T HA 0.200 4.550 4.350 -0.001 0.000 0.264 979 T C 1.120 175.851 174.700 0.052 0.000 0.964 979 T CA 0.725 62.855 62.100 0.049 0.000 0.895 979 T CB 0.549 69.438 68.868 0.034 0.000 1.163 979 T HN 0.417 nan 8.240 nan 0.000 0.517 980 G N 1.480 110.337 108.800 0.096 0.000 2.184 980 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.264 980 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.264 980 G C -0.022 174.897 174.900 0.032 0.000 0.975 980 G CA 0.635 45.810 45.100 0.126 0.000 0.642 980 G HN 0.629 nan 8.290 nan 0.000 0.536 981 E N 1.565 121.772 120.200 0.011 0.000 2.373 981 E HA 0.520 4.869 4.350 -0.001 0.000 0.263 981 E C -1.541 175.030 176.600 -0.047 0.000 1.073 981 E CA -1.416 54.945 56.400 -0.064 0.000 0.894 981 E CB 1.302 30.986 29.700 -0.027 0.000 1.008 981 E HN 0.273 nan 8.360 nan 0.000 0.420 982 P HA 0.173 nan 4.420 nan 0.000 0.282 982 P C -0.589 176.753 177.300 0.071 0.000 1.287 982 P CA -0.095 63.013 63.100 0.013 0.000 0.792 982 P CB 0.591 32.262 31.700 -0.049 0.000 1.163 983 I N 0.601 121.245 120.570 0.125 0.000 2.310 983 I HA 0.140 4.310 4.170 -0.001 0.000 0.287 983 I C 0.543 176.699 176.117 0.065 0.000 1.073 983 I CA -0.465 60.887 61.300 0.087 0.000 1.216 983 I CB -0.150 37.914 38.000 0.108 0.000 1.415 983 I HN 0.263 nan 8.210 nan 0.000 0.480 984 E N 6.187 126.408 120.200 0.036 0.000 2.918 984 E HA 0.160 4.509 4.350 -0.001 0.000 0.232 984 E C 0.566 177.182 176.600 0.027 0.000 1.073 984 E CA 0.264 56.678 56.400 0.024 0.000 0.949 984 E CB -0.086 29.620 29.700 0.009 0.000 0.937 984 E HN 0.881 nan 8.360 nan 0.000 0.536 985 G N 4.195 113.015 108.800 0.033 0.000 3.069 985 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.686 985 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.686 985 G C -2.866 172.059 174.900 0.042 0.000 1.161 985 G CA -1.155 43.962 45.100 0.029 0.000 0.804 985 G HN 0.334 nan 8.290 nan 0.000 0.608 986 P HA 0.484 nan 4.420 nan 0.000 0.271 986 P C -0.100 177.220 177.300 0.034 0.000 1.216 986 P CA -0.079 63.047 63.100 0.043 0.000 0.776 986 P CB 1.016 32.731 31.700 0.025 0.000 0.881 987 I N 3.090 123.688 120.570 0.045 0.000 2.436 987 I HA 0.200 4.369 4.170 -0.001 0.000 0.289 987 I C 0.825 176.956 176.117 0.025 0.000 1.010 987 I CA -1.360 59.965 61.300 0.041 0.000 1.098 987 I CB 2.244 40.281 38.000 0.061 0.000 1.266 987 I HN 0.165 nan 8.210 nan 0.000 0.434 988 V N 8.347 128.272 119.914 0.018 0.000 2.963 988 V HA 0.472 4.592 4.120 -0.001 0.000 0.306 988 V C -0.269 175.841 176.094 0.026 0.000 1.077 988 V CA 0.367 62.670 62.300 0.005 0.000 1.124 988 V CB 1.492 33.366 31.823 0.085 0.000 0.987 988 V HN 0.538 nan 8.190 nan 0.000 0.487 989 V N 3.837 123.756 119.914 0.008 0.000 3.178 989 V HA 1.058 5.177 4.120 -0.001 0.000 0.302 989 V C 0.216 176.320 176.094 0.017 0.000 1.262 989 V CA -0.016 62.291 62.300 0.012 0.000 1.030 989 V CB 1.060 32.882 31.823 -0.001 0.000 1.074 989 V HN 1.539 nan 8.190 nan 0.000 0.438 990 G N 0.366 109.171 108.800 0.009 0.000 2.342 990 G HA2 0.429 4.388 3.960 -0.001 0.000 0.297 990 G HA3 0.429 4.388 3.960 -0.001 0.000 0.297 990 G C -1.980 172.930 174.900 0.016 0.000 1.313 990 G CA -0.756 44.363 45.100 0.032 0.000 0.830 990 G HN 0.548 nan 8.290 nan 0.000 0.506 991 Q N 0.499 120.346 119.800 0.077 0.000 2.389 991 Q HA 0.340 4.680 4.340 -0.001 0.000 0.244 991 Q C -0.264 175.828 176.000 0.154 0.000 1.056 991 Q CA 0.029 55.899 55.803 0.112 0.000 0.908 991 Q CB 1.407 30.258 28.738 0.190 0.000 1.273 991 Q HN 0.534 nan 8.270 nan 0.000 0.471 992 M N 2.960 122.643 119.600 0.139 0.000 2.268 992 M HA 0.387 4.866 4.480 -0.001 0.000 0.344 992 M C -1.343 175.085 176.300 0.213 0.000 1.106 992 M CA -0.689 54.708 55.300 0.162 0.000 1.010 992 M CB 1.027 33.692 32.600 0.109 0.000 1.649 992 M HN 0.484 nan 8.290 nan 0.000 0.443 993 F N 6.741 126.738 119.950 0.080 0.000 2.421 993 F HA 0.561 5.088 4.527 -0.001 0.000 0.358 993 F C -1.296 174.549 175.800 0.075 0.000 1.115 993 F CA -0.390 57.656 58.000 0.077 0.000 1.160 993 F CB 0.374 39.391 39.000 0.029 0.000 1.123 993 F HN 0.458 nan 8.300 nan 0.000 0.508 994 I N 7.565 127.823 120.570 -0.521 0.000 2.509 994 I HA 0.361 4.531 4.170 -0.001 0.000 0.293 994 I C -0.460 175.323 176.117 -0.558 0.000 1.020 994 I CA -0.902 60.130 61.300 -0.446 0.000 1.088 994 I CB 2.065 39.948 38.000 -0.195 0.000 1.267 994 I HN 0.534 nan 8.210 nan 0.000 0.430 995 M N 4.311 123.664 119.600 -0.412 0.000 2.644 995 M HA 0.535 5.015 4.480 -0.001 0.000 0.316 995 M C -0.684 175.611 176.300 -0.009 0.000 1.200 995 M CA -0.905 54.271 55.300 -0.208 0.000 0.944 995 M CB 1.992 34.487 32.600 -0.174 0.000 1.691 995 M HN 0.387 nan 8.290 nan 0.000 0.471 996 K N 1.928 122.377 120.400 0.082 0.000 2.213 996 K HA 0.486 4.805 4.320 -0.001 0.000 0.270 996 K C -1.379 175.267 176.600 0.078 0.000 1.002 996 K CA -0.618 55.724 56.287 0.090 0.000 0.868 996 K CB 0.992 33.589 32.500 0.161 0.000 1.093 996 K HN 0.569 nan 8.250 nan 0.000 0.454 997 L N 4.305 125.578 121.223 0.084 0.000 2.375 997 L HA 0.192 4.532 4.340 -0.001 0.000 0.271 997 L C 0.094 177.100 176.870 0.226 0.000 1.107 997 L CA -0.514 54.411 54.840 0.142 0.000 0.806 997 L CB 0.008 42.141 42.059 0.124 0.000 1.146 997 L HN 0.652 nan 8.230 nan 0.000 0.447 998 Y N 2.632 123.001 120.300 0.115 0.000 2.802 998 Y HA -0.111 4.439 4.550 -0.001 0.000 0.333 998 Y C 0.342 176.396 175.900 0.256 0.000 1.244 998 Y CA -0.050 58.150 58.100 0.166 0.000 1.558 998 Y CB -0.253 38.280 38.460 0.123 0.000 1.233 998 Y HN 0.356 nan 8.280 nan 0.000 0.547 999 H N 7.257 126.228 119.070 -0.165 0.000 2.969 999 H HA 0.252 4.808 4.556 -0.001 0.000 0.269 999 H C 0.014 174.923 175.328 -0.698 0.000 1.223 999 H CA -0.150 55.728 56.048 -0.283 0.000 1.400 999 H CB -0.274 29.476 29.762 -0.021 0.000 1.500 999 H HN 0.730 nan 8.280 nan 0.000 0.486 1000 M N 1.426 120.657 119.600 -0.615 0.000 2.103 1000 M HA 0.009 4.489 4.480 -0.001 0.000 0.291 1000 M C 1.373 177.476 176.300 -0.329 0.000 1.216 1000 M CA -0.276 54.695 55.300 -0.549 0.000 1.132 1000 M CB 0.663 33.074 32.600 -0.316 0.000 1.396 1000 M HN 0.191 nan 8.290 nan 0.000 0.479 1001 V N 0.582 120.365 119.914 -0.217 0.000 3.510 1001 V HA -0.140 3.979 4.120 -0.001 0.000 0.270 1001 V C 1.863 177.865 176.094 -0.154 0.000 1.201 1001 V CA 1.611 63.814 62.300 -0.162 0.000 1.166 1001 V CB -1.681 30.089 31.823 -0.089 0.000 0.825 1001 V HN 0.919 nan 8.190 nan 0.000 0.484 1002 E N 0.246 120.357 120.200 -0.150 0.000 2.371 1002 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 1002 E C 1.784 178.280 176.600 -0.173 0.000 1.012 1002 E CA 1.168 57.500 56.400 -0.114 0.000 0.860 1002 E CB -0.205 29.446 29.700 -0.081 0.000 0.811 1002 E HN 0.636 nan 8.360 nan 0.000 0.502 1003 D N 1.233 121.473 120.400 -0.266 0.000 2.106 1003 D HA -0.105 4.535 4.640 -0.001 0.000 0.203 1003 D C 0.146 176.273 176.300 -0.289 0.000 0.977 1003 D CA 0.585 54.371 54.000 -0.357 0.000 0.844 1003 D CB 0.102 40.455 40.800 -0.744 0.000 1.002 1003 D HN -0.079 nan 8.370 nan 0.000 0.461 1004 K N 3.394 123.628 120.400 -0.276 0.000 2.253 1004 K HA 0.000 4.320 4.320 -0.001 0.000 0.273 1004 K C 0.903 177.324 176.600 -0.298 0.000 1.118 1004 K CA 0.059 56.219 56.287 -0.212 0.000 1.100 1004 K CB -0.612 31.788 32.500 -0.167 0.000 0.932 1004 K HN 0.450 nan 8.250 nan 0.000 0.433 1005 M N 1.747 121.226 119.600 -0.202 0.000 2.224 1005 M HA 0.001 4.481 4.480 -0.001 0.000 0.297 1005 M C -0.422 175.783 176.300 -0.159 0.000 1.047 1005 M CA 1.119 56.324 55.300 -0.158 0.000 1.125 1005 M CB 0.123 32.683 32.600 -0.066 0.000 1.413 1005 M HN 0.331 nan 8.290 nan 0.000 0.431 1006 H N 0.814 119.958 119.070 0.124 0.000 2.744 1006 H HA 0.707 5.263 4.556 -0.001 0.000 0.339 1006 H C -1.234 173.974 175.328 -0.201 0.000 1.004 1006 H CA -0.630 55.572 56.048 0.256 0.000 1.257 1006 H CB 1.750 31.693 29.762 0.302 0.000 1.552 1006 H HN 0.840 nan 8.280 nan 0.000 0.522 1007 A N 4.090 126.420 122.820 -0.815 0.000 2.375 1007 A HA 0.485 4.805 4.320 -0.001 0.000 0.291 1007 A C -0.317 176.700 177.584 -0.946 0.000 1.160 1007 A CA -0.738 50.871 52.037 -0.713 0.000 0.747 1007 A CB 1.123 19.800 19.000 -0.538 0.000 1.170 1007 A HN 0.636 nan 8.150 nan 0.000 0.458 1008 R N 2.417 122.694 120.500 -0.371 0.000 2.387 1008 R HA 0.532 4.872 4.340 -0.001 0.000 0.314 1008 R C 0.479 176.728 176.300 -0.085 0.000 0.958 1008 R CA 0.168 56.175 56.100 -0.155 0.000 0.846 1008 R CB 1.778 32.085 30.300 0.012 0.000 1.147 1008 R HN 0.741 nan 8.270 nan 0.000 0.447 1009 S N 2.169 117.841 115.700 -0.048 0.000 2.357 1009 S HA 0.169 4.638 4.470 -0.001 0.000 0.209 1009 S C -0.002 174.592 174.600 -0.010 0.000 1.023 1009 S CA 0.790 58.983 58.200 -0.012 0.000 0.933 1009 S CB 0.336 63.546 63.200 0.016 0.000 0.897 1009 S HN 0.700 nan 8.310 nan 0.000 0.529 1010 T N 0.083 114.609 114.554 -0.046 0.000 2.923 1010 T HA 0.712 5.061 4.350 -0.001 0.000 0.311 1010 T C -0.240 174.357 174.700 -0.171 0.000 1.183 1010 T CA -0.286 61.741 62.100 -0.120 0.000 1.020 1010 T CB 1.571 70.286 68.868 -0.254 0.000 1.165 1010 T HN 0.663 nan 8.240 nan 0.000 0.482 1011 G N 1.471 110.082 108.800 -0.315 0.000 2.529 1011 G HA2 0.653 4.613 3.960 -0.001 0.000 0.238 1011 G HA3 0.653 4.613 3.960 -0.001 0.000 0.238 1011 G C -3.130 171.356 174.900 -0.690 0.000 1.207 1011 G CA -0.700 44.181 45.100 -0.364 0.000 0.928 1011 G HN 0.625 nan 8.290 nan 0.000 0.495 1012 P HA 0.515 nan 4.420 nan 0.000 0.271 1012 P C -1.415 175.488 177.300 -0.661 0.000 1.244 1012 P CA 0.097 62.910 63.100 -0.479 0.000 0.793 1012 P CB 0.281 31.849 31.700 -0.220 0.000 0.984 1013 Y N -2.154 118.127 120.300 -0.031 0.000 2.588 1013 Y HA 0.362 4.911 4.550 -0.001 0.000 0.343 1013 Y C 0.419 176.306 175.900 -0.021 0.000 1.065 1013 Y CA -0.916 57.169 58.100 -0.025 0.000 1.038 1013 Y CB 0.993 39.438 38.460 -0.024 0.000 1.297 1013 Y HN 0.138 nan 8.280 nan 0.000 0.467 1014 S N 1.623 117.423 115.700 0.166 0.000 2.580 1014 S HA 0.143 4.613 4.470 -0.001 0.000 0.274 1014 S C 1.007 175.648 174.600 0.069 0.000 1.329 1014 S CA -0.549 57.699 58.200 0.080 0.000 1.036 1014 S CB 0.821 64.053 63.200 0.054 0.000 0.919 1014 S HN 0.686 nan 8.310 nan 0.000 0.515 1015 L N 4.030 125.279 121.223 0.043 0.000 1.976 1015 L HA -0.081 4.259 4.340 -0.001 0.000 0.209 1015 L C 2.030 178.918 176.870 0.030 0.000 1.071 1015 L CA 1.687 56.548 54.840 0.035 0.000 0.746 1015 L CB -0.473 41.598 42.059 0.021 0.000 0.890 1015 L HN 0.832 nan 8.230 nan 0.000 0.432 1016 I N -2.988 117.596 120.570 0.023 0.000 2.206 1016 I HA -0.035 4.134 4.170 -0.001 0.000 0.239 1016 I C 1.427 177.557 176.117 0.022 0.000 1.078 1016 I CA 1.173 62.485 61.300 0.021 0.000 1.367 1016 I CB -2.085 35.923 38.000 0.015 0.000 1.078 1016 I HN 0.305 nan 8.210 nan 0.000 0.413 1017 T N 1.740 116.306 114.554 0.020 0.000 2.904 1017 T HA 0.135 4.485 4.350 -0.001 0.000 0.290 1017 T C 0.516 175.226 174.700 0.016 0.000 1.018 1017 T CA -0.254 61.856 62.100 0.017 0.000 1.075 1017 T CB 0.762 69.639 68.868 0.016 0.000 0.986 1017 T HN 0.308 nan 8.240 nan 0.000 0.523 1018 Q N 2.658 122.453 119.800 -0.009 0.000 2.237 1018 Q HA 0.208 4.547 4.340 -0.001 0.000 0.252 1018 Q C -0.126 175.829 176.000 -0.076 0.000 0.877 1018 Q CA -0.119 55.656 55.803 -0.046 0.000 1.011 1018 Q CB 0.373 29.052 28.738 -0.100 0.000 1.118 1018 Q HN 0.614 nan 8.270 nan 0.000 0.458 1019 Q N 0.495 120.298 119.800 0.003 0.000 2.299 1019 Q HA 0.376 4.716 4.340 -0.001 0.000 0.246 1019 Q C -2.233 173.867 176.000 0.165 0.000 0.935 1019 Q CA -2.365 53.459 55.803 0.034 0.000 0.887 1019 Q CB 0.049 28.803 28.738 0.027 0.000 1.223 1019 Q HN 0.025 nan 8.270 nan 0.000 0.439 1020 P HA 0.171 nan 4.420 nan 0.000 0.268 1020 P C -0.842 176.525 177.300 0.113 0.000 1.204 1020 P CA 0.076 63.360 63.100 0.307 0.000 0.768 1020 P CB 0.499 32.351 31.700 0.253 0.000 0.842 1021 L N 2.229 123.477 121.223 0.041 0.000 2.466 1021 L HA 0.669 5.008 4.340 -0.001 0.000 0.258 1021 L C 0.644 177.474 176.870 -0.067 0.000 0.973 1021 L CA 0.010 54.842 54.840 -0.013 0.000 0.826 1021 L CB 2.133 44.190 42.059 -0.003 0.000 1.372 1021 L HN 0.506 nan 8.230 nan 0.000 0.409 1022 G N -0.384 108.368 108.800 -0.080 0.000 3.414 1022 G HA2 0.742 4.702 3.960 -0.001 0.000 0.196 1022 G HA3 0.742 4.702 3.960 -0.001 0.000 0.196 1022 G C 0.252 175.081 174.900 -0.118 0.000 1.486 1022 G CA 0.174 45.209 45.100 -0.108 0.000 0.811 1022 G HN 1.168 nan 8.290 nan 0.000 0.704 1023 G N -0.470 108.240 108.800 -0.151 0.000 1.674 1023 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.192 1023 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.192 1023 G C 1.166 175.975 174.900 -0.152 0.000 1.551 1023 G CA 0.738 45.755 45.100 -0.139 0.000 1.320 1023 G HN 0.612 nan 8.290 nan 0.000 0.432 1024 K N 0.749 121.068 120.400 -0.135 0.000 1.969 1024 K HA 0.293 4.613 4.320 -0.001 0.000 0.220 1024 K C 2.620 179.123 176.600 -0.160 0.000 1.040 1024 K CA 1.749 57.956 56.287 -0.134 0.000 0.981 1024 K CB -0.303 32.133 32.500 -0.106 0.000 0.746 1024 K HN 0.610 nan 8.250 nan 0.000 0.444 1025 A N 0.567 123.292 122.820 -0.159 0.000 2.055 1025 A HA 0.052 4.371 4.320 -0.001 0.000 0.205 1025 A C 0.497 177.917 177.584 -0.273 0.000 1.235 1025 A CA 0.034 51.953 52.037 -0.196 0.000 0.822 1025 A CB 0.299 19.228 19.000 -0.118 0.000 0.903 1025 A HN 0.193 nan 8.150 nan 0.000 0.473 1026 Q N 0.016 119.703 119.800 -0.187 0.000 2.377 1026 Q HA 0.529 4.869 4.340 -0.001 0.000 0.249 1026 Q C 0.082 176.014 176.000 -0.114 0.000 1.005 1026 Q CA -0.434 55.301 55.803 -0.112 0.000 0.912 1026 Q CB 0.146 28.836 28.738 -0.080 0.000 1.223 1026 Q HN 0.479 nan 8.270 nan 0.000 0.459 1027 F N 1.612 121.504 119.950 -0.097 0.000 2.064 1027 F HA -0.290 4.237 4.527 -0.001 0.000 0.292 1027 F C 1.462 177.091 175.800 -0.285 0.000 1.107 1027 F CA 1.989 59.877 58.000 -0.188 0.000 1.243 1027 F CB -0.553 38.417 39.000 -0.050 0.000 0.949 1027 F HN 0.717 nan 8.300 nan 0.000 0.506 1028 G N -1.227 107.598 108.800 0.041 0.000 2.911 1028 G HA2 0.308 4.268 3.960 -0.001 0.000 0.686 1028 G HA3 0.308 4.268 3.960 -0.001 0.000 0.686 1028 G C -0.204 174.695 174.900 -0.001 0.000 1.136 1028 G CA -0.906 44.175 45.100 -0.033 0.000 0.764 1028 G HN 0.674 nan 8.290 nan 0.000 0.626 1029 G N 0.414 109.221 108.800 0.012 0.000 2.539 1029 G HA2 0.564 4.523 3.960 -0.001 0.000 0.258 1029 G HA3 0.564 4.523 3.960 -0.001 0.000 0.258 1029 G C 0.122 175.036 174.900 0.024 0.000 1.202 1029 G CA -0.193 44.923 45.100 0.028 0.000 0.851 1029 G HN 0.724 nan 8.290 nan 0.000 0.556 1030 Q N -0.543 119.279 119.800 0.036 0.000 2.306 1030 Q HA 0.344 4.684 4.340 -0.001 0.000 0.241 1030 Q C 0.528 176.560 176.000 0.053 0.000 0.948 1030 Q CA -0.237 55.588 55.803 0.036 0.000 0.886 1030 Q CB 0.963 29.725 28.738 0.040 0.000 1.227 1030 Q HN 0.588 nan 8.270 nan 0.000 0.457 1031 R N 0.877 121.393 120.500 0.028 0.000 2.410 1031 R HA 0.202 4.541 4.340 -0.001 0.000 0.288 1031 R C -0.052 176.280 176.300 0.053 0.000 1.051 1031 R CA -0.003 56.118 56.100 0.035 0.000 1.021 1031 R CB 0.303 30.598 30.300 -0.009 0.000 1.032 1031 R HN 0.665 nan 8.270 nan 0.000 0.481 1032 F N 2.237 122.150 119.950 -0.062 0.000 2.721 1032 F HA 0.319 4.845 4.527 -0.001 0.000 0.301 1032 F C 0.810 176.538 175.800 -0.119 0.000 1.096 1032 F CA 0.736 58.691 58.000 -0.076 0.000 1.308 1032 F CB 0.424 39.384 39.000 -0.067 0.000 1.086 1032 F HN 0.865 nan 8.300 nan 0.000 0.587 1033 G N 1.869 110.628 108.800 -0.069 0.000 3.644 1033 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.429 1033 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.429 1033 G C 0.964 175.683 174.900 -0.301 0.000 1.588 1033 G CA 0.352 45.339 45.100 -0.187 0.000 1.288 1033 G HN 0.625 nan 8.290 nan 0.000 0.581 1034 E N 1.367 121.301 120.200 -0.444 0.000 2.110 1034 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 1034 E C 2.470 178.183 176.600 -1.477 0.000 0.988 1034 E CA 1.671 57.584 56.400 -0.811 0.000 0.804 1034 E CB -0.200 29.016 29.700 -0.807 0.000 0.745 1034 E HN 0.668 nan 8.360 nan 0.000 0.458 1035 M N 1.075 119.910 119.600 -1.276 0.000 2.144 1035 M HA -0.188 4.291 4.480 -0.001 0.000 0.260 1035 M C 1.851 177.944 176.300 -0.344 0.000 1.067 1035 M CA 1.998 56.795 55.300 -0.838 0.000 1.095 1035 M CB -0.146 32.252 32.600 -0.336 0.000 1.365 1035 M HN 0.017 nan 8.290 nan 0.000 0.406 1036 E N -0.331 119.626 120.200 -0.405 0.000 2.112 1036 E HA -0.051 4.298 4.350 -0.001 0.000 0.190 1036 E C 2.150 178.725 176.600 -0.042 0.000 0.979 1036 E CA 0.841 57.004 56.400 -0.395 0.000 0.814 1036 E CB -0.516 28.573 29.700 -1.018 0.000 0.762 1036 E HN 0.255 nan 8.360 nan 0.000 0.460 1037 V N 0.540 120.475 119.914 0.035 0.000 2.231 1037 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 1037 V C 1.874 178.126 176.094 0.263 0.000 1.054 1037 V CA 1.901 64.351 62.300 0.249 0.000 1.015 1037 V CB -0.760 31.080 31.823 0.028 0.000 0.638 1037 V HN 0.372 nan 8.190 nan 0.000 0.444 1038 W N 0.230 121.596 121.300 0.111 0.000 2.308 1038 W HA -0.250 4.410 4.660 -0.000 0.000 0.301 1038 W C 2.757 179.322 176.519 0.077 0.000 1.220 1038 W CA 1.760 59.144 57.345 0.065 0.000 1.240 1038 W CB -1.692 27.785 29.460 0.028 0.000 1.142 1038 W HN 0.359 nan 8.180 nan 0.000 0.521 1039 A N -0.014 122.994 122.820 0.313 0.000 1.865 1039 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 1039 A C 2.096 179.906 177.584 0.376 0.000 1.191 1039 A CA 1.975 54.175 52.037 0.271 0.000 0.623 1039 A CB -1.041 18.082 19.000 0.205 0.000 0.826 1039 A HN 0.147 nan 8.150 nan 0.000 0.444 1040 L N 0.021 121.469 121.223 0.374 0.000 2.093 1040 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 1040 L C 2.403 179.443 176.870 0.282 0.000 1.085 1040 L CA 2.017 57.072 54.840 0.359 0.000 0.755 1040 L CB -0.902 41.320 42.059 0.272 0.000 0.904 1040 L HN 0.516 nan 8.230 nan 0.000 0.435 1041 E N -0.705 119.634 120.200 0.232 0.000 2.097 1041 E HA -0.281 4.069 4.350 -0.001 0.000 0.196 1041 E C 2.249 178.918 176.600 0.116 0.000 1.000 1041 E CA 1.261 57.759 56.400 0.164 0.000 0.804 1041 E CB -0.324 29.491 29.700 0.192 0.000 0.740 1041 E HN 0.533 nan 8.360 nan 0.000 0.454 1042 A N 1.078 123.952 122.820 0.090 0.000 1.873 1042 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 1042 A C 0.873 178.411 177.584 -0.078 0.000 1.193 1042 A CA 1.224 53.230 52.037 -0.051 0.000 0.629 1042 A CB -0.829 18.070 19.000 -0.168 0.000 0.826 1042 A HN 0.187 nan 8.150 nan 0.000 0.447 1043 Y N -1.248 119.087 120.300 0.057 0.000 2.296 1043 Y HA 0.345 4.895 4.550 -0.000 0.000 0.343 1043 Y C 1.816 177.739 175.900 0.039 0.000 1.292 1043 Y CA 0.243 58.370 58.100 0.046 0.000 1.490 1043 Y CB 0.395 38.886 38.460 0.052 0.000 1.359 1043 Y HN 0.105 nan 8.280 nan 0.000 0.599 1044 G N 0.095 109.027 108.800 0.221 0.000 3.327 1044 G HA2 0.216 4.176 3.960 -0.001 0.000 0.240 1044 G HA3 0.216 4.176 3.960 -0.001 0.000 0.240 1044 G C 0.361 175.331 174.900 0.117 0.000 1.222 1044 G CA 0.127 45.303 45.100 0.127 0.000 0.871 1044 G HN 0.737 nan 8.290 nan 0.000 0.525 1045 A N 0.677 123.587 122.820 0.149 0.000 3.092 1045 A HA 0.585 4.905 4.320 -0.001 0.000 0.278 1045 A C 1.746 179.365 177.584 0.058 0.000 1.956 1045 A CA 0.661 52.756 52.037 0.096 0.000 1.501 1045 A CB -0.475 18.583 19.000 0.095 0.000 0.977 1045 A HN 0.543 nan 8.150 nan 0.000 0.607 1046 A N 1.607 124.451 122.820 0.039 0.000 1.819 1046 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 1046 A C 1.959 179.471 177.584 -0.121 0.000 1.226 1046 A CA 1.428 53.427 52.037 -0.064 0.000 0.608 1046 A CB -0.952 17.975 19.000 -0.121 0.000 0.877 1046 A HN 0.798 nan 8.150 nan 0.000 0.452 1047 H N -0.146 118.906 119.070 -0.029 0.000 2.353 1047 H HA -0.124 4.432 4.556 -0.000 0.000 0.298 1047 H C 2.304 177.594 175.328 -0.063 0.000 1.103 1047 H CA 2.008 58.029 56.048 -0.045 0.000 1.293 1047 H CB -0.778 28.963 29.762 -0.036 0.000 1.372 1047 H HN 0.486 nan 8.280 nan 0.000 0.501 1048 T N 1.642 116.226 114.554 0.051 0.000 2.759 1048 T HA -0.141 4.209 4.350 -0.001 0.000 0.269 1048 T C 2.179 176.815 174.700 -0.108 0.000 1.042 1048 T CA 1.167 63.253 62.100 -0.023 0.000 1.140 1048 T CB -0.359 68.502 68.868 -0.012 0.000 0.864 1048 T HN 0.122 nan 8.240 nan 0.000 0.455 1049 L N 0.892 122.056 121.223 -0.098 0.000 2.109 1049 L HA 0.090 4.430 4.340 -0.001 0.000 0.207 1049 L C 2.491 179.252 176.870 -0.181 0.000 1.086 1049 L CA 1.696 56.442 54.840 -0.157 0.000 0.760 1049 L CB -0.862 41.151 42.059 -0.077 0.000 0.910 1049 L HN 0.182 nan 8.230 nan 0.000 0.437 1050 Q N -0.148 119.564 119.800 -0.147 0.000 2.002 1050 Q HA -0.285 4.054 4.340 -0.001 0.000 0.204 1050 Q C 2.162 178.084 176.000 -0.130 0.000 0.988 1050 Q CA 2.351 58.068 55.803 -0.144 0.000 0.843 1050 Q CB -0.228 28.422 28.738 -0.147 0.000 0.908 1050 Q HN 0.611 nan 8.270 nan 0.000 0.420 1051 E N -0.452 119.688 120.200 -0.100 0.000 2.086 1051 E HA -0.288 4.061 4.350 -0.001 0.000 0.205 1051 E C 1.910 178.425 176.600 -0.141 0.000 1.027 1051 E CA 2.022 58.367 56.400 -0.091 0.000 0.830 1051 E CB -0.108 29.550 29.700 -0.071 0.000 0.751 1051 E HN 0.321 nan 8.360 nan 0.000 0.456 1052 M N -0.390 119.074 119.600 -0.227 0.000 2.108 1052 M HA -0.137 4.343 4.480 -0.001 0.000 0.261 1052 M C 1.820 177.978 176.300 -0.236 0.000 1.066 1052 M CA 1.460 56.568 55.300 -0.320 0.000 1.107 1052 M CB -0.004 32.193 32.600 -0.671 0.000 1.356 1052 M HN 0.094 nan 8.290 nan 0.000 0.406 1053 L N -1.857 119.242 121.223 -0.207 0.000 2.418 1053 L HA -0.005 4.334 4.340 -0.001 0.000 0.218 1053 L C 1.850 178.643 176.870 -0.128 0.000 1.125 1053 L CA 0.977 55.723 54.840 -0.157 0.000 0.835 1053 L CB -0.916 41.051 42.059 -0.155 0.000 0.953 1053 L HN 0.420 nan 8.230 nan 0.000 0.454 1054 T N -3.698 110.783 114.554 -0.122 0.000 3.556 1054 T HA 0.129 4.479 4.350 -0.001 0.000 0.204 1054 T C 1.617 176.264 174.700 -0.087 0.000 0.896 1054 T CA -0.274 61.766 62.100 -0.101 0.000 1.380 1054 T CB -0.563 68.251 68.868 -0.090 0.000 1.584 1054 T HN -0.051 nan 8.240 nan 0.000 0.411 1055 L N 1.238 122.420 121.223 -0.068 0.000 2.137 1055 L HA -0.129 4.211 4.340 -0.001 0.000 0.213 1055 L C 2.630 179.475 176.870 -0.042 0.000 1.085 1055 L CA 1.700 56.514 54.840 -0.044 0.000 0.760 1055 L CB -0.487 41.557 42.059 -0.025 0.000 0.893 1055 L HN 0.397 nan 8.230 nan 0.000 0.434 1056 K N -1.592 118.775 120.400 -0.057 0.000 2.356 1056 K HA 0.015 4.334 4.320 -0.001 0.000 0.195 1056 K C 1.828 178.406 176.600 -0.037 0.000 1.037 1056 K CA 0.941 57.206 56.287 -0.036 0.000 1.014 1056 K CB 0.429 32.900 32.500 -0.049 0.000 0.815 1056 K HN 0.367 nan 8.250 nan 0.000 0.507 1057 S N -0.954 114.700 115.700 -0.076 0.000 3.171 1057 S HA 0.035 4.504 4.470 -0.001 0.000 0.258 1057 S C 1.233 175.744 174.600 -0.148 0.000 1.083 1057 S CA 0.075 58.229 58.200 -0.077 0.000 0.801 1057 S CB 0.150 63.318 63.200 -0.052 0.000 0.831 1057 S HN 0.075 nan 8.310 nan 0.000 0.462 1058 D N 1.283 121.603 120.400 -0.133 0.000 2.470 1058 D HA 0.197 4.837 4.640 -0.001 0.000 0.238 1058 D C -0.144 176.070 176.300 -0.143 0.000 1.054 1058 D CA 0.106 54.023 54.000 -0.137 0.000 0.896 1058 D CB 0.085 40.835 40.800 -0.084 0.000 1.118 1058 D HN 0.257 nan 8.370 nan 0.000 0.497 1059 D N 1.284 121.611 120.400 -0.122 0.000 2.426 1059 D HA -0.074 4.566 4.640 -0.001 0.000 0.271 1059 D C 1.625 177.856 176.300 -0.115 0.000 1.376 1059 D CA 0.058 53.998 54.000 -0.099 0.000 1.149 1059 D CB -0.419 40.334 40.800 -0.079 0.000 1.118 1059 D HN 0.359 nan 8.370 nan 0.000 0.529 1060 I N 2.825 123.325 120.570 -0.116 0.000 2.053 1060 I HA -0.363 3.806 4.170 -0.001 0.000 0.236 1060 I C 1.793 177.869 176.117 -0.069 0.000 1.038 1060 I CA 1.617 62.844 61.300 -0.121 0.000 1.304 1060 I CB 0.179 38.135 38.000 -0.074 0.000 1.023 1060 I HN 0.309 nan 8.210 nan 0.000 0.395 1061 E N 0.432 120.611 120.200 -0.034 0.000 2.160 1061 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 1061 E C 1.984 178.578 176.600 -0.011 0.000 0.991 1061 E CA 1.354 57.748 56.400 -0.011 0.000 0.810 1061 E CB -0.467 29.233 29.700 0.000 0.000 0.742 1061 E HN 0.751 nan 8.360 nan 0.000 0.466 1062 G N 1.489 110.273 108.800 -0.027 0.000 2.480 1062 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.216 1062 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.216 1062 G C 1.461 176.358 174.900 -0.005 0.000 1.200 1062 G CA 1.289 46.377 45.100 -0.020 0.000 0.782 1062 G HN 0.323 nan 8.290 nan 0.000 0.554 1063 R N 0.141 120.626 120.500 -0.026 0.000 2.103 1063 R HA -0.121 4.219 4.340 -0.001 0.000 0.242 1063 R C 2.159 178.494 176.300 0.059 0.000 1.142 1063 R CA 1.641 57.743 56.100 0.003 0.000 0.960 1063 R CB -0.907 29.363 30.300 -0.050 0.000 0.858 1063 R HN 0.275 nan 8.270 nan 0.000 0.439 1064 N N 1.101 119.828 118.700 0.045 0.000 2.025 1064 N HA -0.135 4.604 4.740 -0.001 0.000 0.194 1064 N C 1.906 177.483 175.510 0.111 0.000 1.044 1064 N CA 1.985 55.087 53.050 0.086 0.000 0.851 1064 N CB -0.287 38.234 38.487 0.058 0.000 1.036 1064 N HN 0.414 nan 8.380 nan 0.000 0.422 1065 A N 0.926 123.785 122.820 0.066 0.000 1.933 1065 A HA -0.012 4.308 4.320 -0.001 0.000 0.218 1065 A C 2.391 180.012 177.584 0.063 0.000 1.175 1065 A CA 1.947 54.017 52.037 0.055 0.000 0.628 1065 A CB -0.826 18.192 19.000 0.029 0.000 0.814 1065 A HN 0.420 nan 8.150 nan 0.000 0.444 1066 A N -0.901 121.960 122.820 0.070 0.000 1.859 1066 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 1066 A C 2.131 179.784 177.584 0.114 0.000 1.198 1066 A CA 1.931 54.011 52.037 0.073 0.000 0.629 1066 A CB -1.087 17.955 19.000 0.069 0.000 0.830 1066 A HN 0.714 nan 8.150 nan 0.000 0.446 1067 Y N 0.500 120.807 120.300 0.012 0.000 2.030 1067 Y HA -0.281 4.269 4.550 -0.001 0.000 0.274 1067 Y C 2.478 178.383 175.900 0.009 0.000 1.153 1067 Y CA 2.408 60.517 58.100 0.015 0.000 1.115 1067 Y CB -0.766 37.711 38.460 0.028 0.000 0.969 1067 Y HN 0.568 nan 8.280 nan 0.000 0.488 1068 E N -0.012 120.208 120.200 0.034 0.000 2.108 1068 E HA -0.339 4.011 4.350 -0.001 0.000 0.203 1068 E C 2.240 178.781 176.600 -0.099 0.000 1.022 1068 E CA 1.551 57.906 56.400 -0.076 0.000 0.823 1068 E CB -0.436 29.274 29.700 0.017 0.000 0.744 1068 E HN 0.564 nan 8.360 nan 0.000 0.456 1069 A N 1.037 123.831 122.820 -0.042 0.000 1.873 1069 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 1069 A C 2.223 179.766 177.584 -0.067 0.000 1.193 1069 A CA 2.015 54.028 52.037 -0.040 0.000 0.629 1069 A CB -0.810 18.182 19.000 -0.014 0.000 0.826 1069 A HN 0.374 nan 8.150 nan 0.000 0.447 1070 I N 0.104 120.627 120.570 -0.079 0.000 2.286 1070 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 1070 I C 2.065 178.096 176.117 -0.143 0.000 1.115 1070 I CA 0.719 61.965 61.300 -0.090 0.000 1.392 1070 I CB -0.352 37.611 38.000 -0.061 0.000 1.065 1070 I HN 0.251 nan 8.210 nan 0.000 0.418 1071 I N 0.971 121.392 120.570 -0.247 0.000 2.208 1071 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 1071 I C 2.398 178.429 176.117 -0.143 0.000 1.097 1071 I CA 1.737 62.882 61.300 -0.258 0.000 1.363 1071 I CB -1.322 36.465 38.000 -0.356 0.000 1.051 1071 I HN 0.286 nan 8.210 nan 0.000 0.413 1072 K N 0.206 120.538 120.400 -0.113 0.000 2.288 1072 K HA 0.015 4.334 4.320 -0.001 0.000 0.201 1072 K C 1.135 177.701 176.600 -0.057 0.000 1.048 1072 K CA 0.802 57.047 56.287 -0.071 0.000 0.956 1072 K CB -0.021 32.445 32.500 -0.056 0.000 0.746 1072 K HN 0.508 nan 8.250 nan 0.000 0.461 1073 G N 1.879 110.642 108.800 -0.061 0.000 2.182 1073 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.248 1073 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.248 1073 G C -0.233 174.645 174.900 -0.038 0.000 1.042 1073 G CA 0.478 45.550 45.100 -0.047 0.000 0.775 1073 G HN 0.376 nan 8.290 nan 0.000 0.501 1074 E N -0.283 119.893 120.200 -0.039 0.000 2.267 1074 E HA 0.552 4.902 4.350 -0.001 0.000 0.258 1074 E C -0.348 176.235 176.600 -0.028 0.000 1.074 1074 E CA -0.776 55.605 56.400 -0.031 0.000 0.915 1074 E CB 0.603 30.285 29.700 -0.029 0.000 1.186 1074 E HN 0.040 nan 8.360 nan 0.000 0.439 1075 D N 1.145 121.530 120.400 -0.025 0.000 2.339 1075 D HA 0.135 4.775 4.640 -0.001 0.000 0.241 1075 D C -0.597 175.691 176.300 -0.021 0.000 1.183 1075 D CA -0.260 53.724 54.000 -0.026 0.000 0.859 1075 D CB 0.628 41.410 40.800 -0.029 0.000 1.067 1075 D HN 0.339 nan 8.370 nan 0.000 0.484 1076 V N 2.643 122.546 119.914 -0.018 0.000 2.780 1076 V HA 0.012 4.132 4.120 -0.001 0.000 0.301 1076 V C -1.987 174.103 176.094 -0.007 0.000 1.168 1076 V CA -1.086 61.209 62.300 -0.009 0.000 1.305 1076 V CB -0.577 31.243 31.823 -0.006 0.000 0.858 1076 V HN 0.400 nan 8.190 nan 0.000 0.502 1077 P HA 0.226 nan 4.420 nan 0.000 0.275 1077 P C -0.231 177.070 177.300 0.002 0.000 1.270 1077 P CA -0.307 62.792 63.100 -0.000 0.000 0.791 1077 P CB 0.343 32.045 31.700 0.003 0.000 1.089 1078 E N 1.106 121.308 120.200 0.003 0.000 2.194 1078 E HA 0.207 4.556 4.350 -0.001 0.000 0.284 1078 E C -1.958 174.640 176.600 -0.003 0.000 1.035 1078 E CA -1.564 54.840 56.400 0.007 0.000 0.836 1078 E CB -0.278 29.428 29.700 0.009 0.000 1.070 1078 E HN 0.304 nan 8.360 nan 0.000 0.401 1079 P HA -0.118 nan 4.420 nan 0.000 0.264 1079 P C -0.359 176.922 177.300 -0.031 0.000 1.156 1079 P CA 0.751 63.835 63.100 -0.027 0.000 0.756 1079 P CB 0.509 32.185 31.700 -0.040 0.000 0.764 1080 S N 0.801 116.480 115.700 -0.034 0.000 2.738 1080 S HA 0.374 4.844 4.470 -0.001 0.000 0.284 1080 S C -0.090 174.479 174.600 -0.052 0.000 1.146 1080 S CA -0.849 57.331 58.200 -0.034 0.000 0.997 1080 S CB 0.705 63.892 63.200 -0.022 0.000 1.081 1080 S HN 0.183 nan 8.310 nan 0.000 0.553 1081 V N 3.358 123.240 119.914 -0.052 0.000 2.763 1081 V HA 0.158 4.278 4.120 -0.001 0.000 0.306 1081 V C -2.281 173.773 176.094 -0.066 0.000 1.059 1081 V CA -1.014 61.246 62.300 -0.067 0.000 1.138 1081 V CB -0.030 31.752 31.823 -0.068 0.000 0.940 1081 V HN 0.651 nan 8.190 nan 0.000 0.489 1082 P HA 0.192 nan 4.420 nan 0.000 0.282 1082 P C 0.708 177.996 177.300 -0.020 0.000 1.262 1082 P CA -0.292 62.773 63.100 -0.058 0.000 0.773 1082 P CB 0.670 32.321 31.700 -0.081 0.000 0.879 1083 E N 1.703 121.882 120.200 -0.035 0.000 2.187 1083 E HA -0.207 4.142 4.350 -0.001 0.000 0.199 1083 E C 1.723 178.328 176.600 0.009 0.000 1.004 1083 E CA 1.954 58.343 56.400 -0.018 0.000 0.813 1083 E CB -0.447 29.237 29.700 -0.027 0.000 0.736 1083 E HN 0.546 nan 8.360 nan 0.000 0.468 1084 S N 0.130 115.845 115.700 0.025 0.000 2.370 1084 S HA -0.153 4.317 4.470 -0.001 0.000 0.226 1084 S C 2.061 176.735 174.600 0.125 0.000 1.033 1084 S CA 0.890 59.126 58.200 0.060 0.000 1.011 1084 S CB -0.819 62.416 63.200 0.059 0.000 0.852 1084 S HN 0.269 nan 8.310 nan 0.000 0.457 1085 F N 2.189 122.084 119.950 -0.090 0.000 2.113 1085 F HA 0.008 4.535 4.527 -0.001 0.000 0.297 1085 F C 2.958 178.674 175.800 -0.140 0.000 1.103 1085 F CA 1.029 58.967 58.000 -0.104 0.000 1.248 1085 F CB -0.028 38.901 39.000 -0.118 0.000 0.999 1085 F HN 0.088 nan 8.300 nan 0.000 0.475 1086 R N -0.469 119.989 120.500 -0.070 0.000 2.094 1086 R HA -0.220 4.120 4.340 -0.001 0.000 0.239 1086 R C 2.131 178.379 176.300 -0.086 0.000 1.137 1086 R CA 1.757 57.685 56.100 -0.286 0.000 0.943 1086 R CB -1.072 29.025 30.300 -0.338 0.000 0.850 1086 R HN 0.253 nan 8.270 nan 0.000 0.433 1087 V N 1.665 121.576 119.914 -0.005 0.000 2.490 1087 V HA -0.188 3.932 4.120 -0.001 0.000 0.250 1087 V C 2.042 178.124 176.094 -0.019 0.000 1.061 1087 V CA 1.587 63.905 62.300 0.029 0.000 1.064 1087 V CB -0.263 31.578 31.823 0.030 0.000 0.670 1087 V HN 0.356 nan 8.190 nan 0.000 0.461 1088 L N -0.627 120.547 121.223 -0.082 0.000 1.988 1088 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 1088 L C 2.432 179.195 176.870 -0.178 0.000 1.071 1088 L CA 2.432 57.186 54.840 -0.144 0.000 0.744 1088 L CB -0.449 41.464 42.059 -0.242 0.000 0.893 1088 L HN 0.200 nan 8.230 nan 0.000 0.433 1089 V N 0.468 120.220 119.914 -0.269 0.000 2.233 1089 V HA -0.368 3.751 4.120 -0.001 0.000 0.252 1089 V C 2.801 178.860 176.094 -0.058 0.000 1.063 1089 V CA 2.235 64.408 62.300 -0.212 0.000 1.032 1089 V CB -0.977 30.713 31.823 -0.222 0.000 0.645 1089 V HN 0.450 nan 8.190 nan 0.000 0.446 1090 K N -0.048 120.372 120.400 0.032 0.000 2.057 1090 K HA -0.141 4.179 4.320 -0.001 0.000 0.207 1090 K C 2.111 178.722 176.600 0.018 0.000 1.049 1090 K CA 1.411 57.743 56.287 0.076 0.000 0.931 1090 K CB -0.589 32.001 32.500 0.149 0.000 0.714 1090 K HN 0.611 nan 8.250 nan 0.000 0.440 1091 E N 0.486 120.685 120.200 -0.001 0.000 2.130 1091 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 1091 E C 2.037 178.623 176.600 -0.023 0.000 0.998 1091 E CA 0.982 57.375 56.400 -0.012 0.000 0.806 1091 E CB -0.122 29.566 29.700 -0.019 0.000 0.738 1091 E HN 0.196 nan 8.360 nan 0.000 0.459 1092 L N 0.634 121.832 121.223 -0.042 0.000 2.156 1092 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 1092 L C 2.509 179.362 176.870 -0.028 0.000 1.095 1092 L CA 0.801 55.614 54.840 -0.044 0.000 0.770 1092 L CB -0.291 41.722 42.059 -0.076 0.000 0.914 1092 L HN 0.103 nan 8.230 nan 0.000 0.439 1093 Q N -0.035 119.755 119.800 -0.017 0.000 2.224 1093 Q HA -0.154 4.186 4.340 -0.001 0.000 0.203 1093 Q C 2.450 178.447 176.000 -0.005 0.000 0.970 1093 Q CA 1.347 57.148 55.803 -0.005 0.000 0.865 1093 Q CB -0.184 28.563 28.738 0.015 0.000 0.922 1093 Q HN 0.558 nan 8.270 nan 0.000 0.445 1094 A N 1.164 123.981 122.820 -0.005 0.000 1.917 1094 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 1094 A C 1.397 178.976 177.584 -0.008 0.000 1.182 1094 A CA 0.842 52.876 52.037 -0.006 0.000 0.633 1094 A CB -0.476 18.521 19.000 -0.006 0.000 0.819 1094 A HN 0.252 nan 8.150 nan 0.000 0.448 1095 L N -1.752 119.465 121.223 -0.010 0.000 2.418 1095 L HA 0.329 4.669 4.340 -0.001 0.000 0.265 1095 L C 1.914 178.778 176.870 -0.010 0.000 1.143 1095 L CA -0.173 54.661 54.840 -0.010 0.000 0.809 1095 L CB 0.995 43.046 42.059 -0.012 0.000 1.124 1095 L HN 0.378 nan 8.230 nan 0.000 0.456 1096 A N 3.122 125.937 122.820 -0.008 0.000 1.923 1096 A HA -0.200 4.119 4.320 -0.001 0.000 0.222 1096 A C 0.901 178.479 177.584 -0.009 0.000 1.258 1096 A CA 1.266 53.299 52.037 -0.007 0.000 0.670 1096 A CB -0.875 18.121 19.000 -0.006 0.000 0.834 1096 A HN 0.460 nan 8.150 nan 0.000 0.470 1097 L N 0.122 121.339 121.223 -0.011 0.000 2.605 1097 L HA 0.081 4.421 4.340 -0.001 0.000 0.296 1097 L C 0.157 177.018 176.870 -0.014 0.000 1.255 1097 L CA 0.728 55.559 54.840 -0.014 0.000 0.879 1097 L CB -0.857 41.191 42.059 -0.020 0.000 1.124 1097 L HN 0.585 nan 8.230 nan 0.000 0.507 1098 D N 2.208 122.601 120.400 -0.013 0.000 2.481 1098 D HA 0.448 5.087 4.640 -0.001 0.000 0.246 1098 D C -1.069 175.222 176.300 -0.016 0.000 1.109 1098 D CA -0.417 53.577 54.000 -0.010 0.000 0.845 1098 D CB 1.260 42.059 40.800 -0.003 0.000 1.160 1098 D HN 0.154 nan 8.370 nan 0.000 0.534 1099 V N 3.854 123.752 119.914 -0.026 0.000 2.357 1099 V HA 0.479 4.599 4.120 -0.001 0.000 0.284 1099 V C -0.280 175.799 176.094 -0.025 0.000 1.018 1099 V CA -0.633 61.643 62.300 -0.039 0.000 0.841 1099 V CB 1.051 32.822 31.823 -0.087 0.000 0.991 1099 V HN 0.582 nan 8.190 nan 0.000 0.437 1100 Q N 3.096 122.890 119.800 -0.009 0.000 2.353 1100 Q HA 0.501 4.841 4.340 -0.001 0.000 0.268 1100 Q C -0.204 175.804 176.000 0.013 0.000 1.045 1100 Q CA -0.276 55.531 55.803 0.006 0.000 0.811 1100 Q CB 2.022 30.768 28.738 0.014 0.000 1.305 1100 Q HN 0.849 nan 8.270 nan 0.000 0.447 1101 T N 2.569 117.136 114.554 0.022 0.000 2.913 1101 T HA 0.592 4.941 4.350 -0.001 0.000 0.297 1101 T C -0.554 174.162 174.700 0.026 0.000 1.029 1101 T CA -0.118 62.002 62.100 0.034 0.000 1.104 1101 T CB 0.191 69.082 68.868 0.039 0.000 0.964 1101 T HN 0.473 nan 8.240 nan 0.000 0.532 1102 L N 3.009 124.247 121.223 0.025 0.000 2.327 1102 L HA 0.572 4.912 4.340 -0.001 0.000 0.258 1102 L C 0.290 177.169 176.870 0.015 0.000 1.024 1102 L CA -0.917 53.934 54.840 0.018 0.000 0.825 1102 L CB 2.148 44.217 42.059 0.016 0.000 1.386 1102 L HN 0.663 nan 8.230 nan 0.000 0.417 1103 D N -0.279 120.128 120.400 0.012 0.000 2.469 1103 D HA 0.116 4.755 4.640 -0.001 0.000 0.278 1103 D C 0.890 177.195 176.300 0.007 0.000 1.231 1103 D CA -0.278 53.727 54.000 0.009 0.000 1.075 1103 D CB 0.676 41.481 40.800 0.009 0.000 1.121 1103 D HN 0.473 nan 8.370 nan 0.000 0.571 1104 E N 0.609 120.812 120.200 0.005 0.000 2.013 1104 E HA -0.180 4.170 4.350 -0.001 0.000 0.202 1104 E C 0.273 176.876 176.600 0.004 0.000 1.018 1104 E CA 1.368 57.771 56.400 0.004 0.000 0.834 1104 E CB -0.591 29.111 29.700 0.003 0.000 0.770 1104 E HN 0.379 nan 8.360 nan 0.000 0.459 1105 K N 2.770 123.173 120.400 0.005 0.000 2.249 1105 K HA 0.144 4.463 4.320 -0.001 0.000 0.280 1105 K C -0.243 176.361 176.600 0.006 0.000 1.033 1105 K CA -0.263 56.026 56.287 0.005 0.000 0.946 1105 K CB 0.461 32.964 32.500 0.005 0.000 1.005 1105 K HN -0.107 nan 8.250 nan 0.000 0.469 1106 D N 3.669 124.073 120.400 0.006 0.000 2.512 1106 D HA -0.075 4.565 4.640 -0.001 0.000 0.283 1106 D C -0.486 175.818 176.300 0.008 0.000 1.456 1106 D CA 0.827 54.832 54.000 0.008 0.000 1.224 1106 D CB -0.369 40.435 40.800 0.007 0.000 1.140 1106 D HN 0.413 nan 8.370 nan 0.000 0.553 1107 N N 1.803 120.509 118.700 0.009 0.000 2.396 1107 N HA 0.325 5.064 4.740 -0.001 0.000 0.275 1107 N C -2.705 172.813 175.510 0.013 0.000 1.218 1107 N CA -1.406 51.650 53.050 0.010 0.000 0.812 1107 N CB 2.326 40.819 38.487 0.009 0.000 1.592 1107 N HN -0.114 nan 8.380 nan 0.000 0.480 1108 P HA 0.109 nan 4.420 nan 0.000 0.270 1108 P C -0.692 176.620 177.300 0.019 0.000 1.221 1108 P CA 0.028 63.139 63.100 0.019 0.000 0.788 1108 P CB 0.697 32.409 31.700 0.021 0.000 0.904 1109 V N 0.836 120.764 119.914 0.022 0.000 3.048 1109 V HA 0.332 4.452 4.120 -0.001 0.000 0.303 1109 V C -1.042 175.070 176.094 0.029 0.000 1.214 1109 V CA -0.421 61.892 62.300 0.022 0.000 0.984 1109 V CB 2.545 34.379 31.823 0.018 0.000 1.054 1109 V HN 0.373 nan 8.190 nan 0.000 0.430 1110 D N 1.052 121.471 120.400 0.031 0.000 2.492 1110 D HA 0.600 5.240 4.640 -0.001 0.000 0.248 1110 D C 0.759 177.077 176.300 0.029 0.000 1.101 1110 D CA -0.465 53.562 54.000 0.045 0.000 0.840 1110 D CB 1.775 42.614 40.800 0.065 0.000 1.209 1110 D HN 0.476 nan 8.370 nan 0.000 0.524 1111 I N -0.048 120.524 120.570 0.003 0.000 2.141 1111 I HA 0.100 4.270 4.170 -0.001 0.000 0.236 1111 I C 0.854 176.923 176.117 -0.080 0.000 1.071 1111 I CA 0.679 61.932 61.300 -0.077 0.000 1.345 1111 I CB -0.512 37.383 38.000 -0.174 0.000 1.066 1111 I HN 0.195 nan 8.210 nan 0.000 0.406 1112 F N 2.710 122.672 119.950 0.020 0.000 2.516 1112 F HA 0.028 4.554 4.527 -0.000 0.000 0.351 1112 F C 1.743 177.549 175.800 0.009 0.000 1.208 1112 F CA -0.038 57.969 58.000 0.011 0.000 1.073 1112 F CB -0.068 38.935 39.000 0.004 0.000 1.203 1112 F HN 0.153 nan 8.300 nan 0.000 0.602 1113 E N 2.821 123.135 120.200 0.190 0.000 2.149 1113 E HA -0.253 4.097 4.350 -0.001 0.000 0.215 1113 E C 1.879 178.539 176.600 0.100 0.000 1.055 1113 E CA 1.890 58.356 56.400 0.110 0.000 0.870 1113 E CB -0.097 29.653 29.700 0.083 0.000 0.764 1113 E HN 0.850 nan 8.360 nan 0.000 0.463 1114 G N -1.719 107.143 108.800 0.104 0.000 4.417 1114 G HA2 0.080 4.039 3.960 -0.001 0.000 0.221 1114 G HA3 0.080 4.039 3.960 -0.001 0.000 0.221 1114 G C 0.484 175.397 174.900 0.021 0.000 1.003 1114 G CA -0.331 44.804 45.100 0.058 0.000 0.832 1114 G HN 0.051 nan 8.290 nan 0.000 0.356 1115 L N 1.252 122.476 121.223 0.000 0.000 2.592 1115 L HA 0.490 4.830 4.340 -0.001 0.000 0.227 1115 L C 2.464 179.240 176.870 -0.157 0.000 1.127 1115 L CA 1.219 56.008 54.840 -0.085 0.000 0.884 1115 L CB 0.340 42.325 42.059 -0.124 0.000 1.065 1115 L HN 0.259 nan 8.230 nan 0.000 0.457 1116 A N -1.263 121.487 122.820 -0.116 0.000 1.935 1116 A HA 0.030 4.350 4.320 -0.001 0.000 0.214 1116 A C 1.474 179.024 177.584 -0.056 0.000 1.178 1116 A CA 0.680 52.644 52.037 -0.122 0.000 0.640 1116 A CB -0.485 18.509 19.000 -0.010 0.000 0.825 1116 A HN 0.402 nan 8.150 nan 0.000 0.447 1117 S N 0.692 116.379 115.700 -0.021 0.000 2.558 1117 S HA 0.179 4.649 4.470 -0.001 0.000 0.287 1117 S C 0.042 174.626 174.600 -0.027 0.000 1.321 1117 S CA 0.224 58.416 58.200 -0.013 0.000 1.048 1117 S CB 0.090 63.289 63.200 -0.002 0.000 0.844 1117 S HN 0.622 nan 8.310 nan 0.000 0.512 1118 K N 2.553 122.940 120.400 -0.022 0.000 2.156 1118 K HA 0.696 5.015 4.320 -0.001 0.000 0.271 1118 K C -0.111 176.477 176.600 -0.020 0.000 0.995 1118 K CA -0.821 55.450 56.287 -0.026 0.000 0.890 1118 K CB 0.823 33.309 32.500 -0.024 0.000 1.073 1118 K HN 0.872 nan 8.250 nan 0.000 0.454 1119 R N 0.000 120.486 120.500 -0.024 0.000 2.786 1119 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 1119 R CA 0.000 56.089 56.100 -0.019 0.000 0.921 1119 R CB 0.000 30.292 30.300 -0.014 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535