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 1ynn_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEIKRFGRIR EVIPLPPLTE IQVESYKKAL QADVPPEKRE NVGIQAAFKE DATA SEQUENCE TFPIEEGDKG KGGLVLDFLE YRIGDPPFSQ DECREKDLTY QAPLYARLQL DATA SEQUENCE IHKDTGLIKE DEVFLGHLPL MTEDGSFIIN GADRVIVSQI HRSPGVYFTP DATA SEQUENCE DPARPGRYIA SIIPLPKRGP WIDLEVEASG VVTMKVNKRK FPLVLLLRVL DATA SEQUENCE GYDQETLVRE LSAYGDLVQG LLDEAVLAMR PEEAMVRLFT LLRPGDPPKK DATA SEQUENCE DKALAYLFGL LADPKRYDLG EAGRYKAEEK LGVGLSGRTL VRFEDGEFKD DATA SEQUENCE EVFLPTLRYL FALTAGVPGH EVDDIDHLGN RRIRTVGELM ADQFRVGLAR DATA SEQUENCE LARGVRERMV MGSPDTLTPA KLVNSRPLEA ALREFFSRSQ LSQFKDETNP DATA SEQUENCE LSSLRHKRRI SALGPGGLTR ERAGFDVRDV HRTHYGRICP VETPEGANIG DATA SEQUENCE LITSLAAYAR VDALGFIRTP YRRVKNGVVT EEVVYMTASE EDRYTIAQAN DATA SEQUENCE TPLEGDRIAT DRVVARRRGE PVIVAPEEVE FMDVSPKQVF SLNTNLIPFL DATA SEQUENCE EHDDANRALM GSNMQTQAVP LIRAQAPVVM TGLEERVVRD SLAALYAEED DATA SEQUENCE GEVVKVDGTR IAVRYEDGRL VEHPLRRYAR SNQGTAFDQR PRVRVGQRVK DATA SEQUENCE KGDLLADGPA SEEGFLALGQ NVLVAIMPFD GYNFEDAIVI SEELLKRDFY DATA SEQUENCE TSIHIERYEI EARDTKLGPE RITRDIPHLS EAALRDLDEE GIVRIGAEVK DATA SEQUENCE PGDILVGRTS FKGEQEPSPE ERLLRSIFGE KARDVKDTSL RVPPGEGGIV DATA SEQUENCE VGRLRLRRGD PGVELKPGVR EVVRVFVAQK RKLQVGDKLA NRHGNKGVVA DATA SEQUENCE KILPVEDMPH LPDGTPVDVI LNPLGVPSRM NLGQILETHL GLAGYFLGQR DATA SEQUENCE YISPVFDGAT EPEIKELLAE AFNLYFGKRQ GEGFGVDKRE KEVLARAEKL DATA SEQUENCE GLVSPGKSPE EQLKELFDLG KVVLYDGRTG EPFEGPIVVG QMFIMKLYHM DATA SEQUENCE VEDKMHARST GPYSLITQQP LGGKAQFGGQ RFGEMEVWAL EAYGAAHTLQ DATA SEQUENCE EMLTIKSDDI EGRNAAYQAI IKGEDVPEPS VPESFRVLVK ELQALALDVQ DATA SEQUENCE TLDEKDNPVD IFEG 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 0.000 176.248 176.300 -0.087 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1 M CB 0.000 32.557 32.600 -0.071 0.000 1.302 2 E N 2.736 122.877 120.200 -0.100 0.000 2.391 2 E HA 0.701 5.051 4.350 -0.000 0.000 0.255 2 E C -0.849 175.640 176.600 -0.187 0.000 1.187 2 E CA -0.665 55.665 56.400 -0.117 0.000 0.941 2 E CB 1.418 31.056 29.700 -0.103 0.000 1.010 2 E HN 0.513 nan 8.360 nan 0.000 0.458 3 I N 0.788 121.248 120.570 -0.184 0.000 2.498 3 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 3 I C -0.351 175.616 176.117 -0.250 0.000 1.032 3 I CA -0.778 60.385 61.300 -0.229 0.000 1.073 3 I CB 1.751 39.652 38.000 -0.166 0.000 1.251 3 I HN 0.526 nan 8.210 nan 0.000 0.426 4 K N 6.035 126.225 120.400 -0.350 0.000 2.425 4 K HA 0.432 4.752 4.320 -0.000 0.000 0.259 4 K C -0.369 175.980 176.600 -0.418 0.000 0.978 4 K CA -0.700 55.355 56.287 -0.387 0.000 0.883 4 K CB 2.268 34.468 32.500 -0.499 0.000 1.110 4 K HN 0.545 nan 8.250 nan 0.000 0.436 5 R N 2.136 122.450 120.500 -0.311 0.000 2.577 5 R HA 0.422 4.762 4.340 -0.000 0.000 0.269 5 R C -0.815 175.313 176.300 -0.286 0.000 1.084 5 R CA 0.158 56.134 56.100 -0.206 0.000 1.163 5 R CB 0.613 30.872 30.300 -0.068 0.000 1.100 5 R HN 0.419 nan 8.270 nan 0.000 0.547 6 F N -0.247 119.749 119.950 0.077 0.000 2.613 6 F HA 0.481 5.008 4.527 -0.000 0.000 0.314 6 F C 0.377 176.226 175.800 0.083 0.000 1.075 6 F CA -0.140 57.917 58.000 0.094 0.000 0.945 6 F CB 2.457 41.526 39.000 0.116 0.000 1.310 6 F HN 0.788 nan 8.300 nan 0.000 0.467 7 G N 2.260 111.274 108.800 0.356 0.000 2.757 7 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 7 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 7 G C -0.645 174.350 174.900 0.158 0.000 1.452 7 G CA -0.717 44.509 45.100 0.210 0.000 0.922 7 G HN 0.708 nan 8.290 nan 0.000 0.588 8 R N 0.536 121.112 120.500 0.126 0.000 0.725 8 R HA 0.616 4.956 4.340 -0.000 0.000 0.054 8 R C 1.483 177.838 176.300 0.092 0.000 0.611 8 R CA -0.056 56.104 56.100 0.100 0.000 2.152 8 R CB -1.004 29.347 30.300 0.084 0.000 0.594 8 R HN 1.554 nan 8.270 nan 0.000 0.790 9 I N 1.069 121.686 120.570 0.078 0.000 3.563 9 I HA -0.310 3.860 4.170 -0.000 0.000 0.126 9 I C -0.224 175.932 176.117 0.066 0.000 0.984 9 I CA 0.193 61.534 61.300 0.068 0.000 2.746 9 I CB -0.737 37.307 38.000 0.074 0.000 1.175 9 I HN 0.222 nan 8.210 nan 0.000 0.343 10 R N 6.333 126.866 120.500 0.054 0.000 2.410 10 R HA 0.315 4.655 4.340 -0.000 0.000 0.288 10 R C -0.009 176.315 176.300 0.040 0.000 1.051 10 R CA -0.447 55.684 56.100 0.052 0.000 1.021 10 R CB 0.735 31.062 30.300 0.046 0.000 1.032 10 R HN 0.435 nan 8.270 nan 0.000 0.481 11 E N 4.650 124.881 120.200 0.052 0.000 2.217 11 E HA 0.029 4.379 4.350 -0.000 0.000 0.279 11 E C 0.780 177.398 176.600 0.029 0.000 1.068 11 E CA -0.106 56.318 56.400 0.041 0.000 0.882 11 E CB 0.661 30.433 29.700 0.119 0.000 1.039 11 E HN 0.448 nan 8.360 nan 0.000 0.418 12 V N 2.721 122.627 119.914 -0.013 0.000 2.490 12 V HA -0.163 3.957 4.120 -0.000 0.000 0.250 12 V C 1.348 177.452 176.094 0.016 0.000 1.061 12 V CA 1.457 63.752 62.300 -0.007 0.000 1.064 12 V CB -1.250 30.552 31.823 -0.035 0.000 0.670 12 V HN 0.626 nan 8.190 nan 0.000 0.461 13 I N -3.171 117.415 120.570 0.028 0.000 2.647 13 I HA 0.657 4.827 4.170 -0.000 0.000 0.295 13 I C -3.032 173.232 176.117 0.246 0.000 1.078 13 I CA -2.715 58.653 61.300 0.112 0.000 1.048 13 I CB 1.856 39.926 38.000 0.116 0.000 1.239 13 I HN -0.169 nan 8.210 nan 0.000 0.421 14 P HA 0.248 nan 4.420 nan 0.000 0.272 14 P C -0.675 176.712 177.300 0.144 0.000 1.240 14 P CA -0.331 62.862 63.100 0.155 0.000 0.791 14 P CB 0.491 32.228 31.700 0.061 0.000 0.978 15 L N 2.902 124.048 121.223 -0.128 0.000 2.490 15 L HA 0.171 4.511 4.340 -0.000 0.000 0.274 15 L C -1.631 175.152 176.870 -0.145 0.000 1.201 15 L CA -1.037 53.564 54.840 -0.398 0.000 0.869 15 L CB -1.001 40.788 42.059 -0.451 0.000 1.123 15 L HN 0.363 nan 8.230 nan 0.000 0.484 16 P HA -0.027 nan 4.420 nan 0.000 0.271 16 P C -2.128 175.124 177.300 -0.080 0.000 1.228 16 P CA -0.925 62.147 63.100 -0.047 0.000 0.797 16 P CB -0.250 31.428 31.700 -0.036 0.000 0.914 17 P HA -0.007 nan 4.420 nan 0.000 0.239 17 P C 0.813 178.067 177.300 -0.077 0.000 1.184 17 P CA 0.687 63.742 63.100 -0.074 0.000 0.760 17 P CB -0.110 31.552 31.700 -0.064 0.000 0.884 18 L N -3.194 117.984 121.223 -0.075 0.000 2.560 18 L HA -0.285 4.055 4.340 -0.000 0.000 0.431 18 L C 1.426 178.263 176.870 -0.055 0.000 1.606 18 L CA 2.187 56.986 54.840 -0.069 0.000 3.191 18 L CB -2.672 39.341 42.059 -0.076 0.000 1.253 18 L HN 0.116 nan 8.230 nan 0.000 0.811 19 T N -2.333 112.186 114.554 -0.058 0.000 3.252 19 T HA 0.086 4.436 4.350 -0.000 0.000 0.250 19 T C 1.129 175.802 174.700 -0.045 0.000 1.123 19 T CA 0.614 62.682 62.100 -0.053 0.000 1.006 19 T CB 0.302 69.131 68.868 -0.066 0.000 0.992 19 T HN 0.357 nan 8.240 nan 0.000 0.547 20 E N 1.659 121.833 120.200 -0.043 0.000 2.045 20 E HA -0.217 4.132 4.350 -0.000 0.000 0.212 20 E C 1.979 178.567 176.600 -0.020 0.000 1.039 20 E CA 2.126 58.505 56.400 -0.036 0.000 0.860 20 E CB -0.456 29.216 29.700 -0.046 0.000 0.776 20 E HN 0.676 nan 8.360 nan 0.000 0.467 21 I N 0.903 121.462 120.570 -0.017 0.000 2.121 21 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 21 I C 2.664 178.789 176.117 0.014 0.000 1.047 21 I CA 1.877 63.177 61.300 -0.001 0.000 1.308 21 I CB -0.992 37.009 38.000 0.002 0.000 1.015 21 I HN 0.047 nan 8.210 nan 0.000 0.410 22 Q N 0.803 120.605 119.800 0.003 0.000 1.942 22 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 22 Q C 2.345 178.355 176.000 0.016 0.000 0.987 22 Q CA 2.329 58.133 55.803 0.002 0.000 0.844 22 Q CB -0.561 28.152 28.738 -0.042 0.000 0.911 22 Q HN 0.418 nan 8.270 nan 0.000 0.423 23 V N 0.864 120.772 119.914 -0.009 0.000 2.261 23 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 23 V C 2.099 178.224 176.094 0.052 0.000 1.047 23 V CA 1.978 64.281 62.300 0.006 0.000 1.015 23 V CB -0.549 31.259 31.823 -0.024 0.000 0.642 23 V HN 0.392 nan 8.190 nan 0.000 0.446 24 E N -0.400 119.817 120.200 0.029 0.000 2.478 24 E HA -0.082 4.268 4.350 -0.000 0.000 0.198 24 E C 2.274 178.903 176.600 0.047 0.000 1.046 24 E CA 0.912 57.328 56.400 0.028 0.000 0.870 24 E CB 0.110 29.810 29.700 -0.000 0.000 0.818 24 E HN 0.553 nan 8.360 nan 0.000 0.527 25 S N -0.491 115.256 115.700 0.078 0.000 2.315 25 S HA -0.111 4.359 4.470 -0.000 0.000 0.211 25 S C 1.861 176.556 174.600 0.159 0.000 1.029 25 S CA 0.266 58.525 58.200 0.097 0.000 0.956 25 S CB -0.432 62.829 63.200 0.101 0.000 0.918 25 S HN 0.234 nan 8.310 nan 0.000 0.470 26 Y N 2.842 123.176 120.300 0.056 0.000 2.029 26 Y HA -0.257 4.293 4.550 -0.000 0.000 0.269 26 Y C 2.513 178.447 175.900 0.056 0.000 1.201 26 Y CA 2.363 60.514 58.100 0.086 0.000 1.115 26 Y CB -0.797 37.753 38.460 0.149 0.000 0.945 26 Y HN 0.264 nan 8.280 nan 0.000 0.497 27 K N 0.606 121.080 120.400 0.124 0.000 2.090 27 K HA -0.312 4.008 4.320 -0.000 0.000 0.218 27 K C 1.986 178.579 176.600 -0.012 0.000 1.055 27 K CA 2.758 59.064 56.287 0.031 0.000 0.941 27 K CB -0.449 32.078 32.500 0.046 0.000 0.722 27 K HN 0.550 nan 8.250 nan 0.000 0.458 28 K N -0.895 119.508 120.400 0.006 0.000 2.487 28 K HA 0.075 4.395 4.320 -0.000 0.000 0.192 28 K C 1.355 177.940 176.600 -0.025 0.000 1.027 28 K CA 0.831 57.115 56.287 -0.004 0.000 1.054 28 K CB 0.331 32.835 32.500 0.007 0.000 0.824 28 K HN 0.115 nan 8.250 nan 0.000 0.510 29 A N 0.616 123.401 122.820 -0.059 0.000 2.220 29 A HA 0.192 4.512 4.320 -0.000 0.000 0.211 29 A C 1.589 179.051 177.584 -0.203 0.000 1.176 29 A CA -0.028 51.940 52.037 -0.115 0.000 0.834 29 A CB 0.065 19.009 19.000 -0.093 0.000 0.868 29 A HN 0.306 nan 8.150 nan 0.000 0.488 30 L N -1.655 119.448 121.223 -0.199 0.000 2.609 30 L HA 0.232 4.572 4.340 -0.000 0.000 0.230 30 L C 0.617 177.489 176.870 0.004 0.000 1.087 30 L CA 0.387 55.109 54.840 -0.197 0.000 0.874 30 L CB 0.055 41.911 42.059 -0.338 0.000 1.114 30 L HN 0.431 nan 8.230 nan 0.000 0.488 31 Q N -0.086 119.721 119.800 0.012 0.000 2.368 31 Q HA -0.310 4.030 4.340 -0.000 0.000 0.352 31 Q C 1.390 177.409 176.000 0.031 0.000 1.301 31 Q CA 0.369 56.195 55.803 0.037 0.000 1.059 31 Q CB -0.739 28.040 28.738 0.068 0.000 1.281 31 Q HN 0.617 nan 8.270 nan 0.000 0.406 32 A N 0.602 123.435 122.820 0.022 0.000 1.929 32 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 32 A C 0.412 177.996 177.584 0.000 0.000 1.176 32 A CA 1.592 53.645 52.037 0.025 0.000 0.628 32 A CB 0.272 19.288 19.000 0.027 0.000 0.816 32 A HN 0.598 nan 8.150 nan 0.000 0.444 33 D N -1.059 119.338 120.400 -0.006 0.000 2.441 33 D HA 0.443 5.083 4.640 -0.000 0.000 0.287 33 D C -0.823 175.464 176.300 -0.022 0.000 1.198 33 D CA -0.172 53.820 54.000 -0.013 0.000 0.894 33 D CB 1.333 42.132 40.800 -0.002 0.000 1.070 33 D HN 0.218 nan 8.370 nan 0.000 0.499 34 V N 0.269 120.159 119.914 -0.040 0.000 2.789 34 V HA 0.460 4.580 4.120 -0.000 0.000 0.300 34 V C -2.855 173.199 176.094 -0.067 0.000 1.184 34 V CA -2.162 60.113 62.300 -0.042 0.000 0.930 34 V CB 2.302 34.107 31.823 -0.031 0.000 1.041 34 V HN 0.054 nan 8.190 nan 0.000 0.430 35 P HA 0.101 nan 4.420 nan 0.000 0.259 35 P C -2.151 175.093 177.300 -0.093 0.000 1.155 35 P CA -0.474 62.584 63.100 -0.070 0.000 0.759 35 P CB 0.207 31.877 31.700 -0.051 0.000 0.753 36 P HA -0.134 nan 4.420 nan 0.000 0.236 36 P C 0.427 177.657 177.300 -0.117 0.000 1.172 36 P CA 1.139 64.138 63.100 -0.169 0.000 0.759 36 P CB 0.240 31.812 31.700 -0.214 0.000 0.843 37 E N -0.034 120.116 120.200 -0.083 0.000 2.166 37 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 37 E C 1.964 178.545 176.600 -0.033 0.000 0.967 37 E CA 0.778 57.144 56.400 -0.057 0.000 0.840 37 E CB -0.246 29.423 29.700 -0.051 0.000 0.795 37 E HN 0.232 nan 8.360 nan 0.000 0.470 38 K N 0.569 120.950 120.400 -0.032 0.000 2.098 38 K HA 0.135 4.455 4.320 -0.000 0.000 0.203 38 K C 0.278 176.876 176.600 -0.003 0.000 1.051 38 K CA -0.040 56.238 56.287 -0.016 0.000 0.957 38 K CB 0.143 32.633 32.500 -0.018 0.000 0.738 38 K HN -0.066 nan 8.250 nan 0.000 0.447 39 R N 1.549 122.042 120.500 -0.012 0.000 2.870 39 R HA -0.144 4.196 4.340 -0.000 0.000 0.283 39 R C 0.010 176.338 176.300 0.047 0.000 0.805 39 R CA 0.956 57.064 56.100 0.014 0.000 1.110 39 R CB -0.250 30.050 30.300 -0.001 0.000 0.900 39 R HN 0.324 nan 8.270 nan 0.000 0.406 40 E N 5.227 125.455 120.200 0.047 0.000 3.037 40 E HA 0.165 4.515 4.350 -0.000 0.000 0.220 40 E C -0.210 176.418 176.600 0.048 0.000 1.142 40 E CA -0.757 55.671 56.400 0.047 0.000 0.888 40 E CB 0.091 29.810 29.700 0.032 0.000 1.329 40 E HN 0.775 nan 8.360 nan 0.000 0.409 41 N N -0.459 118.278 118.700 0.061 0.000 5.739 41 N HA -0.196 4.544 4.740 -0.000 0.000 0.380 41 N C 0.383 175.906 175.510 0.021 0.000 1.066 41 N CA 1.101 54.178 53.050 0.045 0.000 2.435 41 N CB -0.667 37.845 38.487 0.041 0.000 0.610 41 N HN 1.339 nan 8.380 nan 0.000 0.684 42 V N -1.968 117.947 119.914 0.002 0.000 3.725 42 V HA 0.018 4.138 4.120 -0.000 0.000 0.530 42 V C 1.247 177.310 176.094 -0.052 0.000 0.682 42 V CA 2.022 64.308 62.300 -0.024 0.000 2.090 42 V CB -1.600 30.215 31.823 -0.014 0.000 2.494 42 V HN 2.037 nan 8.190 nan 0.000 0.517 43 G N 2.620 111.360 108.800 -0.101 0.000 2.481 43 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.230 43 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.230 43 G C 0.244 174.948 174.900 -0.326 0.000 1.210 43 G CA 0.428 45.420 45.100 -0.179 0.000 0.936 43 G HN 1.450 nan 8.290 nan 0.000 0.583 44 I N 0.793 121.073 120.570 -0.482 0.000 2.252 44 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 44 I C 3.039 178.870 176.117 -0.477 0.000 1.102 44 I CA 1.884 62.637 61.300 -0.911 0.000 1.385 44 I CB -0.268 36.981 38.000 -1.253 0.000 1.064 44 I HN 0.479 nan 8.210 nan 0.000 0.414 45 Q N 0.594 120.349 119.800 -0.074 0.000 2.112 45 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 45 Q C 2.381 178.401 176.000 0.033 0.000 0.987 45 Q CA 2.101 58.007 55.803 0.172 0.000 0.858 45 Q CB -0.460 28.428 28.738 0.251 0.000 0.905 45 Q HN 0.600 nan 8.270 nan 0.000 0.420 46 A N 1.038 123.839 122.820 -0.033 0.000 1.829 46 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 46 A C 2.345 179.902 177.584 -0.045 0.000 1.207 46 A CA 2.624 54.645 52.037 -0.028 0.000 0.622 46 A CB -1.261 17.711 19.000 -0.046 0.000 0.846 46 A HN 0.432 nan 8.150 nan 0.000 0.447 47 A N -1.352 121.399 122.820 -0.115 0.000 1.940 47 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 47 A C 2.072 179.606 177.584 -0.084 0.000 1.190 47 A CA 1.978 53.952 52.037 -0.105 0.000 0.647 47 A CB -0.954 17.988 19.000 -0.096 0.000 0.821 47 A HN 0.573 nan 8.150 nan 0.000 0.457 48 F N -0.474 119.386 119.950 -0.150 0.000 2.014 48 F HA -0.179 4.347 4.527 -0.000 0.000 0.295 48 F C 2.461 178.184 175.800 -0.128 0.000 1.145 48 F CA 1.897 59.733 58.000 -0.273 0.000 1.178 48 F CB -0.194 38.178 39.000 -1.048 0.000 0.972 48 F HN 0.077 nan 8.300 nan 0.000 0.476 49 K N -0.081 120.356 120.400 0.062 0.000 2.281 49 K HA -0.222 4.098 4.320 -0.000 0.000 0.203 49 K C 1.722 178.399 176.600 0.129 0.000 1.046 49 K CA 1.360 57.728 56.287 0.134 0.000 0.938 49 K CB -0.184 32.388 32.500 0.119 0.000 0.737 49 K HN 0.217 nan 8.250 nan 0.000 0.458 50 E N -0.488 119.762 120.200 0.084 0.000 2.106 50 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 50 E C 1.487 178.122 176.600 0.058 0.000 0.984 50 E CA 1.726 58.159 56.400 0.056 0.000 0.806 50 E CB 0.271 29.982 29.700 0.018 0.000 0.750 50 E HN 0.406 nan 8.360 nan 0.000 0.458 51 T N -2.916 111.676 114.554 0.063 0.000 2.971 51 T HA 0.143 4.493 4.350 -0.000 0.000 0.252 51 T C 1.494 176.191 174.700 -0.005 0.000 1.022 51 T CA -0.299 61.792 62.100 -0.015 0.000 0.980 51 T CB -0.205 68.587 68.868 -0.126 0.000 1.044 51 T HN 0.024 nan 8.240 nan 0.000 0.501 52 F N 2.444 122.449 119.950 0.092 0.000 2.187 52 F HA 0.229 4.756 4.527 -0.000 0.000 0.295 52 F C -1.580 174.290 175.800 0.116 0.000 1.091 52 F CA -0.786 57.294 58.000 0.134 0.000 1.308 52 F CB -0.487 38.645 39.000 0.221 0.000 1.030 52 F HN 0.017 nan 8.300 nan 0.000 0.487 53 P HA -0.076 nan 4.420 nan 0.000 0.254 53 P C -0.343 177.036 177.300 0.132 0.000 1.467 53 P CA 0.822 64.046 63.100 0.207 0.000 1.281 53 P CB -0.390 31.398 31.700 0.147 0.000 1.754 54 I N 2.503 123.153 120.570 0.133 0.000 2.257 54 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 54 I C 0.174 176.317 176.117 0.044 0.000 1.137 54 I CA -0.786 60.542 61.300 0.047 0.000 1.255 54 I CB 0.146 38.133 38.000 -0.021 0.000 1.485 54 I HN 0.154 nan 8.210 nan 0.000 0.534 55 E N 4.572 124.792 120.200 0.033 0.000 2.438 55 E HA -0.013 4.337 4.350 -0.000 0.000 0.261 55 E C -0.002 176.606 176.600 0.013 0.000 1.103 55 E CA -0.044 56.370 56.400 0.023 0.000 0.959 55 E CB 0.429 30.136 29.700 0.011 0.000 0.958 55 E HN 0.673 nan 8.360 nan 0.000 0.447 56 E N 0.187 120.396 120.200 0.015 0.000 2.280 56 E HA 0.367 4.717 4.350 -0.000 0.000 0.261 56 E C -0.021 176.581 176.600 0.003 0.000 1.088 56 E CA -0.941 55.467 56.400 0.013 0.000 0.915 56 E CB 0.708 30.422 29.700 0.023 0.000 1.141 56 E HN 0.482 nan 8.360 nan 0.000 0.433 57 G N 1.509 110.311 108.800 0.003 0.000 2.255 57 G HA2 0.193 4.153 3.960 -0.000 0.000 0.267 57 G HA3 0.193 4.153 3.960 -0.000 0.000 0.267 57 G C -0.788 174.111 174.900 -0.002 0.000 1.177 57 G CA 0.491 45.590 45.100 -0.002 0.000 1.027 57 G HN 0.768 nan 8.290 nan 0.000 0.437 58 D N -0.556 119.838 120.400 -0.010 0.000 4.288 58 D HA -0.023 4.617 4.640 -0.000 0.000 0.248 58 D C 0.714 177.010 176.300 -0.007 0.000 1.054 58 D CA 1.229 55.223 54.000 -0.011 0.000 1.179 58 D CB -0.862 39.936 40.800 -0.004 0.000 0.859 58 D HN 0.931 nan 8.370 nan 0.000 0.402 59 K N 1.500 121.891 120.400 -0.015 0.000 2.436 59 K HA 0.548 4.868 4.320 -0.000 0.000 0.282 59 K C 1.510 178.112 176.600 0.004 0.000 1.044 59 K CA 0.255 56.537 56.287 -0.008 0.000 1.028 59 K CB 0.255 32.741 32.500 -0.023 0.000 0.919 59 K HN 1.468 nan 8.250 nan 0.000 0.474 60 G N 1.340 110.149 108.800 0.014 0.000 2.221 60 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.265 60 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.265 60 G C 0.904 175.817 174.900 0.022 0.000 1.041 60 G CA 0.729 45.842 45.100 0.022 0.000 0.807 60 G HN 0.689 nan 8.290 nan 0.000 0.502 61 K N -1.219 119.193 120.400 0.019 0.000 2.353 61 K HA 0.154 4.474 4.320 -0.000 0.000 0.206 61 K C 2.260 178.873 176.600 0.022 0.000 1.191 61 K CA 0.610 56.908 56.287 0.018 0.000 0.897 61 K CB 0.166 32.672 32.500 0.010 0.000 1.283 61 K HN 0.307 nan 8.250 nan 0.000 0.477 62 G N 1.309 110.124 108.800 0.025 0.000 3.262 62 G HA2 0.337 4.297 3.960 -0.000 0.000 0.228 62 G HA3 0.337 4.297 3.960 -0.000 0.000 0.228 62 G C 0.565 175.494 174.900 0.048 0.000 1.197 62 G CA 0.490 45.608 45.100 0.029 0.000 0.819 62 G HN 0.460 nan 8.290 nan 0.000 0.531 63 G N 0.103 108.937 108.800 0.057 0.000 2.693 63 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.226 63 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.226 63 G C 0.061 175.010 174.900 0.082 0.000 1.354 63 G CA -0.592 44.563 45.100 0.091 0.000 0.873 63 G HN 1.331 nan 8.290 nan 0.000 0.562 64 L N -2.443 118.839 121.223 0.098 0.000 2.975 64 L HA -0.193 4.147 4.340 -0.000 0.000 0.550 64 L C 1.443 178.332 176.870 0.031 0.000 1.001 64 L CA 0.683 55.551 54.840 0.047 0.000 1.291 64 L CB -1.395 40.703 42.059 0.065 0.000 1.434 64 L HN 1.186 nan 8.230 nan 0.000 0.696 65 V N 2.047 121.969 119.914 0.013 0.000 3.097 65 V HA 0.423 4.543 4.120 -0.000 0.000 0.223 65 V C 0.469 176.605 176.094 0.069 0.000 1.199 65 V CA 0.448 62.771 62.300 0.038 0.000 1.260 65 V CB 0.102 31.944 31.823 0.033 0.000 1.155 65 V HN 0.826 nan 8.190 nan 0.000 0.509 66 L N 1.824 123.085 121.223 0.062 0.000 2.041 66 L HA -0.074 4.266 4.340 -0.000 0.000 0.469 66 L C -1.295 175.711 176.870 0.226 0.000 1.003 66 L CA 0.860 55.776 54.840 0.125 0.000 1.241 66 L CB -0.973 41.184 42.059 0.163 0.000 1.215 66 L HN 0.746 nan 8.230 nan 0.000 0.624 67 D N 3.715 124.216 120.400 0.169 0.000 2.602 67 D HA 0.479 5.119 4.640 -0.000 0.000 0.236 67 D C -1.071 175.147 176.300 -0.137 0.000 1.209 67 D CA -0.299 53.814 54.000 0.188 0.000 0.831 67 D CB 1.153 42.025 40.800 0.121 0.000 1.478 67 D HN 0.457 nan 8.370 nan 0.000 0.438 68 F N 2.001 121.647 119.950 -0.507 0.000 2.471 68 F HA 0.323 4.850 4.527 -0.000 0.000 0.353 68 F C 0.245 175.823 175.800 -0.370 0.000 1.113 68 F CA 0.328 57.862 58.000 -0.776 0.000 1.262 68 F CB 0.494 39.065 39.000 -0.715 0.000 1.146 68 F HN 0.392 nan 8.300 nan 0.000 0.578 69 L N 2.301 122.744 121.223 -1.300 0.000 2.664 69 L HA 0.294 4.634 4.340 -0.000 0.000 0.198 69 L C -0.531 175.670 176.870 -1.115 0.000 1.057 69 L CA 0.017 54.319 54.840 -0.898 0.000 0.871 69 L CB 0.201 41.950 42.059 -0.516 0.000 1.364 69 L HN 0.688 nan 8.230 nan 0.000 0.483 70 E N -0.483 118.921 120.200 -1.328 0.000 2.409 70 E HA 0.295 4.645 4.350 -0.000 0.000 0.280 70 E C -1.800 174.515 176.600 -0.475 0.000 1.079 70 E CA -0.830 55.059 56.400 -0.852 0.000 0.840 70 E CB 1.636 31.075 29.700 -0.435 0.000 1.309 70 E HN 0.043 nan 8.360 nan 0.000 0.447 71 Y N -0.280 119.943 120.300 -0.128 0.000 2.485 71 Y HA 0.760 5.310 4.550 -0.000 0.000 0.345 71 Y C -0.778 175.165 175.900 0.071 0.000 0.998 71 Y CA -1.219 56.900 58.100 0.033 0.000 1.059 71 Y CB 1.937 40.526 38.460 0.215 0.000 1.234 71 Y HN 0.625 nan 8.280 nan 0.000 0.461 72 R N 3.663 124.330 120.500 0.278 0.000 2.480 72 R HA 0.592 4.932 4.340 -0.000 0.000 0.306 72 R C -1.711 174.724 176.300 0.226 0.000 0.958 72 R CA -0.847 55.375 56.100 0.203 0.000 0.861 72 R CB 1.241 31.674 30.300 0.221 0.000 1.171 72 R HN 0.916 nan 8.270 nan 0.000 0.445 73 I N 2.940 123.621 120.570 0.186 0.000 2.474 73 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 73 I C 1.176 177.330 176.117 0.061 0.000 1.048 73 I CA 0.483 61.849 61.300 0.110 0.000 1.383 73 I CB 1.732 39.805 38.000 0.122 0.000 1.412 73 I HN 0.758 nan 8.210 nan 0.000 0.531 74 G N 3.580 112.377 108.800 -0.006 0.000 2.504 74 G HA2 0.262 4.222 3.960 -0.000 0.000 0.257 74 G HA3 0.262 4.222 3.960 -0.000 0.000 0.257 74 G C -1.096 173.837 174.900 0.055 0.000 1.451 74 G CA -0.353 44.774 45.100 0.045 0.000 1.059 74 G HN 0.532 nan 8.290 nan 0.000 0.550 75 D N 0.456 120.894 120.400 0.063 0.000 2.391 75 D HA 0.469 5.109 4.640 -0.000 0.000 0.245 75 D C -2.404 173.898 176.300 0.005 0.000 1.069 75 D CA -0.939 53.080 54.000 0.033 0.000 0.831 75 D CB 1.571 42.395 40.800 0.041 0.000 1.204 75 D HN -0.017 nan 8.370 nan 0.000 0.503 76 P HA 0.116 nan 4.420 nan 0.000 0.267 76 P C -1.776 175.494 177.300 -0.048 0.000 1.209 76 P CA -0.879 62.157 63.100 -0.105 0.000 0.763 76 P CB 0.381 31.917 31.700 -0.272 0.000 0.816 77 P HA -0.079 nan 4.420 nan 0.000 0.219 77 P C -0.342 176.708 177.300 -0.416 0.000 1.146 77 P CA 1.382 64.384 63.100 -0.163 0.000 0.808 77 P CB 0.098 31.800 31.700 0.004 0.000 0.779 78 F N -2.083 117.885 119.950 0.031 0.000 2.599 78 F HA 0.333 4.860 4.527 -0.000 0.000 0.311 78 F C 0.689 176.581 175.800 0.153 0.000 1.076 78 F CA -1.157 56.888 58.000 0.076 0.000 0.937 78 F CB 1.149 40.190 39.000 0.068 0.000 1.282 78 F HN -0.424 nan 8.300 nan 0.000 0.460 79 S N 1.239 117.127 115.700 0.313 0.000 2.573 79 S HA 0.019 4.489 4.470 -0.000 0.000 0.277 79 S C 0.935 175.671 174.600 0.226 0.000 1.346 79 S CA -0.293 58.049 58.200 0.237 0.000 1.034 79 S CB 1.014 64.302 63.200 0.147 0.000 0.879 79 S HN 0.806 nan 8.310 nan 0.000 0.528 80 Q N 1.226 121.076 119.800 0.084 0.000 2.197 80 Q HA -0.202 4.138 4.340 -0.000 0.000 0.207 80 Q C 1.201 177.153 176.000 -0.080 0.000 0.984 80 Q CA 2.529 58.222 55.803 -0.182 0.000 0.869 80 Q CB -0.265 28.286 28.738 -0.311 0.000 0.906 80 Q HN 0.843 nan 8.270 nan 0.000 0.426 81 D N -0.335 120.061 120.400 -0.006 0.000 2.201 81 D HA -0.073 4.567 4.640 -0.000 0.000 0.209 81 D C 1.519 177.844 176.300 0.042 0.000 0.961 81 D CA 0.497 54.502 54.000 0.008 0.000 0.861 81 D CB 0.091 40.901 40.800 0.016 0.000 0.997 81 D HN 0.184 nan 8.370 nan 0.000 0.486 82 E N 0.050 120.304 120.200 0.090 0.000 2.130 82 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 82 E C 1.819 178.447 176.600 0.047 0.000 0.998 82 E CA 0.740 57.209 56.400 0.115 0.000 0.806 82 E CB -0.111 29.744 29.700 0.258 0.000 0.738 82 E HN 0.329 nan 8.360 nan 0.000 0.459 83 C N 0.039 119.382 119.300 0.072 0.000 2.446 83 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 83 C C 2.624 177.613 174.990 -0.002 0.000 1.275 83 C CA 0.421 59.456 59.018 0.028 0.000 1.727 83 C CB -0.737 27.083 27.740 0.134 0.000 2.010 83 C HN 0.378 nan 8.230 nan 0.000 0.486 84 R N 0.334 120.837 120.500 0.005 0.000 2.090 84 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 84 R C 2.183 178.495 176.300 0.021 0.000 1.110 84 R CA 1.416 57.518 56.100 0.003 0.000 0.973 84 R CB -0.323 29.970 30.300 -0.013 0.000 0.869 84 R HN 0.651 nan 8.270 nan 0.000 0.440 85 E N 1.093 121.308 120.200 0.025 0.000 2.072 85 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 85 E C 0.682 177.294 176.600 0.019 0.000 0.985 85 E CA 1.324 57.748 56.400 0.042 0.000 0.801 85 E CB 0.255 29.982 29.700 0.046 0.000 0.750 85 E HN 0.112 nan 8.360 nan 0.000 0.452 86 K N 0.797 121.183 120.400 -0.024 0.000 2.493 86 K HA 0.065 4.385 4.320 -0.000 0.000 0.207 86 K C -0.848 175.710 176.600 -0.071 0.000 1.033 86 K CA 0.143 56.392 56.287 -0.064 0.000 1.161 86 K CB 0.559 32.969 32.500 -0.149 0.000 0.873 86 K HN 0.053 nan 8.250 nan 0.000 0.491 87 D N 1.616 121.998 120.400 -0.031 0.000 3.142 87 D HA -0.206 4.434 4.640 -0.000 0.000 0.221 87 D C -0.832 175.442 176.300 -0.045 0.000 1.193 87 D CA 1.098 55.087 54.000 -0.018 0.000 0.900 87 D CB -0.642 40.157 40.800 -0.002 0.000 0.886 87 D HN 0.220 nan 8.370 nan 0.000 0.399 88 L N 0.348 121.543 121.223 -0.048 0.000 2.371 88 L HA 0.365 4.705 4.340 -0.000 0.000 0.262 88 L C 0.493 177.361 176.870 -0.003 0.000 1.006 88 L CA -0.621 54.182 54.840 -0.061 0.000 0.818 88 L CB 2.146 44.115 42.059 -0.150 0.000 1.354 88 L HN -0.102 nan 8.230 nan 0.000 0.415 89 T N 1.031 115.582 114.554 -0.005 0.000 2.761 89 T HA 0.109 4.459 4.350 -0.000 0.000 0.296 89 T C -0.527 174.203 174.700 0.051 0.000 0.934 89 T CA 0.117 62.229 62.100 0.019 0.000 1.091 89 T CB -0.132 68.727 68.868 -0.014 0.000 0.896 89 T HN 0.274 nan 8.240 nan 0.000 0.515 90 Y N 4.786 125.072 120.300 -0.023 0.000 2.683 90 Y HA 0.140 4.690 4.550 -0.000 0.000 0.355 90 Y C 0.582 176.486 175.900 0.006 0.000 1.199 90 Y CA 0.169 58.275 58.100 0.009 0.000 1.654 90 Y CB -0.409 38.065 38.460 0.023 0.000 1.361 90 Y HN 0.627 nan 8.280 nan 0.000 0.493 91 Q N 3.278 122.914 119.800 -0.273 0.000 2.572 91 Q HA 0.924 5.264 4.340 -0.000 0.000 0.284 91 Q C -1.404 174.460 176.000 -0.226 0.000 1.091 91 Q CA -1.282 54.384 55.803 -0.230 0.000 0.840 91 Q CB 2.166 30.770 28.738 -0.223 0.000 1.433 91 Q HN 0.654 nan 8.270 nan 0.000 0.471 92 A N 1.191 123.982 122.820 -0.048 0.000 2.547 92 A HA 0.612 4.932 4.320 -0.000 0.000 0.297 92 A C -2.722 174.991 177.584 0.216 0.000 1.056 92 A CA -1.426 50.635 52.037 0.040 0.000 0.688 92 A CB 1.455 20.441 19.000 -0.024 0.000 1.282 92 A HN 0.403 nan 8.150 nan 0.000 0.400 93 P HA 0.272 nan 4.420 nan 0.000 0.276 93 P C -0.675 176.401 177.300 -0.373 0.000 1.264 93 P CA 0.100 63.230 63.100 0.050 0.000 0.769 93 P CB 0.808 32.545 31.700 0.062 0.000 0.840 94 L N 6.495 127.532 121.223 -0.311 0.000 2.270 94 L HA 0.324 4.664 4.340 -0.000 0.000 0.286 94 L C -0.667 176.082 176.870 -0.202 0.000 1.059 94 L CA -0.727 53.994 54.840 -0.197 0.000 0.839 94 L CB -0.368 41.703 42.059 0.021 0.000 1.221 94 L HN 0.201 nan 8.230 nan 0.000 0.431 95 Y N 3.485 123.895 120.300 0.184 0.000 2.320 95 Y HA 0.713 5.263 4.550 -0.000 0.000 0.324 95 Y C 0.506 176.524 175.900 0.198 0.000 1.190 95 Y CA -0.825 57.381 58.100 0.177 0.000 1.215 95 Y CB 0.894 39.459 38.460 0.174 0.000 1.221 95 Y HN 0.602 nan 8.280 nan 0.000 0.486 96 A N 3.324 126.336 122.820 0.320 0.000 2.331 96 A HA 0.661 4.981 4.320 -0.000 0.000 0.320 96 A C -0.584 177.018 177.584 0.030 0.000 1.138 96 A CA -1.237 50.906 52.037 0.176 0.000 0.790 96 A CB 0.772 19.900 19.000 0.212 0.000 1.206 96 A HN 0.834 nan 8.150 nan 0.000 0.470 97 R N 2.225 122.643 120.500 -0.135 0.000 2.216 97 R HA 0.558 4.898 4.340 -0.000 0.000 0.332 97 R C -1.243 174.880 176.300 -0.295 0.000 1.056 97 R CA -0.098 55.892 56.100 -0.183 0.000 0.901 97 R CB 0.267 30.439 30.300 -0.212 0.000 1.039 97 R HN 0.616 nan 8.270 nan 0.000 0.456 98 L N 2.123 123.237 121.223 -0.183 0.000 2.388 98 L HA 0.424 4.764 4.340 -0.000 0.000 0.264 98 L C -0.230 176.572 176.870 -0.113 0.000 0.998 98 L CA -1.207 53.517 54.840 -0.193 0.000 0.817 98 L CB 2.072 44.058 42.059 -0.122 0.000 1.338 98 L HN 0.538 nan 8.230 nan 0.000 0.414 99 Q N 2.124 121.859 119.800 -0.108 0.000 2.316 99 Q HA 0.691 5.031 4.340 -0.000 0.000 0.264 99 Q C -1.348 174.623 176.000 -0.049 0.000 0.987 99 Q CA -0.752 55.006 55.803 -0.075 0.000 0.852 99 Q CB 2.989 31.677 28.738 -0.083 0.000 1.287 99 Q HN 0.632 nan 8.270 nan 0.000 0.448 100 L N 3.868 125.053 121.223 -0.064 0.000 2.307 100 L HA 0.530 4.870 4.340 -0.000 0.000 0.282 100 L C -1.082 175.680 176.870 -0.180 0.000 1.051 100 L CA -0.866 53.916 54.840 -0.096 0.000 0.804 100 L CB 0.955 42.949 42.059 -0.109 0.000 1.197 100 L HN 0.669 nan 8.230 nan 0.000 0.431 101 I N 2.962 123.424 120.570 -0.180 0.000 2.646 101 I HA 0.467 4.637 4.170 -0.000 0.000 0.299 101 I C -0.144 175.831 176.117 -0.237 0.000 1.036 101 I CA -0.687 60.502 61.300 -0.186 0.000 1.074 101 I CB 1.453 39.417 38.000 -0.059 0.000 1.258 101 I HN 0.571 nan 8.210 nan 0.000 0.430 102 H N 2.940 122.021 119.070 0.018 0.000 2.669 102 H HA 0.301 4.857 4.556 -0.000 0.000 0.318 102 H C 0.614 175.951 175.328 0.015 0.000 1.429 102 H CA -0.572 55.486 56.048 0.016 0.000 1.460 102 H CB 1.800 31.570 29.762 0.013 0.000 1.784 102 H HN 0.572 nan 8.280 nan 0.000 0.750 103 K N 0.213 120.715 120.400 0.169 0.000 2.228 103 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 103 K C -0.098 176.545 176.600 0.072 0.000 1.051 103 K CA 1.704 58.043 56.287 0.087 0.000 0.960 103 K CB 0.053 32.587 32.500 0.058 0.000 0.743 103 K HN 0.504 nan 8.250 nan 0.000 0.458 104 D N -0.094 120.356 120.400 0.083 0.000 2.340 104 D HA 0.056 4.696 4.640 -0.000 0.000 0.217 104 D C -0.823 175.525 176.300 0.079 0.000 1.081 104 D CA -0.156 53.875 54.000 0.051 0.000 0.842 104 D CB 0.671 41.473 40.800 0.003 0.000 0.934 104 D HN -0.005 nan 8.370 nan 0.000 0.511 105 T N -0.376 114.254 114.554 0.128 0.000 0.609 105 T HA 0.123 4.473 4.350 -0.000 0.000 0.766 105 T C -0.051 174.748 174.700 0.165 0.000 0.991 105 T CA 0.400 62.566 62.100 0.111 0.000 4.041 105 T CB -0.612 68.289 68.868 0.056 0.000 2.283 105 T HN 0.573 nan 8.240 nan 0.000 0.395 106 G N 2.372 111.247 108.800 0.124 0.000 2.495 106 G HA2 0.649 4.609 3.960 -0.000 0.000 0.318 106 G HA3 0.649 4.609 3.960 -0.000 0.000 0.318 106 G C 0.131 175.021 174.900 -0.017 0.000 1.257 106 G CA -0.792 44.365 45.100 0.094 0.000 0.962 106 G HN 0.779 nan 8.290 nan 0.000 0.483 107 L N 2.659 123.881 121.223 -0.002 0.000 2.984 107 L HA 0.335 4.675 4.340 -0.000 0.000 0.246 107 L C 0.224 177.076 176.870 -0.031 0.000 1.268 107 L CA -0.380 54.446 54.840 -0.023 0.000 1.054 107 L CB -0.112 41.938 42.059 -0.014 0.000 1.393 107 L HN 0.455 nan 8.230 nan 0.000 0.532 108 I N 0.616 121.162 120.570 -0.040 0.000 2.577 108 I HA -0.070 4.100 4.170 -0.000 0.000 0.299 108 I C 0.944 177.034 176.117 -0.045 0.000 1.157 108 I CA 0.635 61.916 61.300 -0.033 0.000 1.418 108 I CB -0.316 37.669 38.000 -0.024 0.000 1.467 108 I HN 0.132 nan 8.210 nan 0.000 0.624 109 K N 5.502 125.875 120.400 -0.044 0.000 2.535 109 K HA 0.091 4.411 4.320 -0.000 0.000 0.242 109 K C 0.261 176.829 176.600 -0.052 0.000 1.210 109 K CA -0.443 55.808 56.287 -0.059 0.000 1.178 109 K CB 0.152 32.612 32.500 -0.066 0.000 1.778 109 K HN 0.426 nan 8.250 nan 0.000 0.372 110 E N 1.824 122.001 120.200 -0.037 0.000 2.765 110 E HA -0.155 4.195 4.350 -0.000 0.000 0.256 110 E C -0.485 176.094 176.600 -0.035 0.000 0.935 110 E CA 0.604 56.990 56.400 -0.024 0.000 0.954 110 E CB 0.277 29.976 29.700 -0.002 0.000 0.908 110 E HN 0.384 nan 8.360 nan 0.000 0.500 111 D N 5.216 125.594 120.400 -0.037 0.000 2.551 111 D HA -0.053 4.587 4.640 -0.000 0.000 0.248 111 D C -0.039 176.228 176.300 -0.055 0.000 1.238 111 D CA 0.760 54.729 54.000 -0.053 0.000 1.236 111 D CB -0.266 40.500 40.800 -0.056 0.000 1.133 111 D HN 0.454 nan 8.370 nan 0.000 0.504 112 E N -1.151 119.025 120.200 -0.041 0.000 8.683 112 E HA -0.213 4.137 4.350 -0.000 0.000 0.467 112 E C -1.008 175.627 176.600 0.058 0.000 1.143 112 E CA 0.457 56.860 56.400 0.004 0.000 1.985 112 E CB 0.097 29.782 29.700 -0.024 0.000 1.008 112 E HN 0.130 nan 8.360 nan 0.000 0.308 113 V N 1.311 121.318 119.914 0.154 0.000 2.760 113 V HA 0.441 4.561 4.120 -0.000 0.000 0.309 113 V C -0.441 175.862 176.094 0.349 0.000 1.077 113 V CA -0.837 61.588 62.300 0.208 0.000 0.910 113 V CB 1.494 33.423 31.823 0.177 0.000 1.008 113 V HN 0.579 nan 8.190 nan 0.000 0.424 114 F N 3.738 123.820 119.950 0.221 0.000 2.571 114 F HA 0.271 4.798 4.527 -0.000 0.000 0.384 114 F C 0.941 176.822 175.800 0.134 0.000 1.058 114 F CA -0.037 58.100 58.000 0.229 0.000 1.200 114 F CB 0.463 39.553 39.000 0.151 0.000 1.077 114 F HN 0.404 nan 8.300 nan 0.000 0.558 115 L N 4.966 125.968 121.223 -0.369 0.000 2.731 115 L HA 0.373 4.713 4.340 -0.000 0.000 0.240 115 L C 0.806 177.338 176.870 -0.563 0.000 1.120 115 L CA 0.622 55.294 54.840 -0.281 0.000 0.913 115 L CB -0.396 41.658 42.059 -0.007 0.000 1.213 115 L HN 0.885 nan 8.230 nan 0.000 0.515 116 G N -1.024 107.052 108.800 -1.206 0.000 2.347 116 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.477 116 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.477 116 G C -1.401 173.057 174.900 -0.736 0.000 1.349 116 G CA -0.885 43.674 45.100 -0.902 0.000 1.000 116 G HN -0.003 nan 8.290 nan 0.000 0.605 117 H N -0.738 118.210 119.070 -0.203 0.000 2.473 117 H HA 0.648 5.204 4.556 -0.000 0.000 0.327 117 H C -0.223 175.084 175.328 -0.035 0.000 1.105 117 H CA -0.230 55.796 56.048 -0.036 0.000 1.280 117 H CB 1.714 31.534 29.762 0.096 0.000 1.450 117 H HN 0.623 nan 8.280 nan 0.000 0.492 118 L N 6.255 127.566 121.223 0.146 0.000 2.325 118 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 118 L C -2.733 174.162 176.870 0.042 0.000 1.004 118 L CA -1.690 53.213 54.840 0.105 0.000 0.823 118 L CB 1.781 43.922 42.059 0.136 0.000 1.236 118 L HN 0.333 nan 8.230 nan 0.000 0.415 119 P HA 0.364 nan 4.420 nan 0.000 0.275 119 P C -1.352 175.993 177.300 0.076 0.000 1.228 119 P CA -0.201 62.794 63.100 -0.176 0.000 0.786 119 P CB 0.935 32.192 31.700 -0.739 0.000 0.927 120 L N -0.897 120.482 121.223 0.260 0.000 2.403 120 L HA 0.680 5.020 4.340 -0.000 0.000 0.253 120 L C -0.497 176.649 176.870 0.459 0.000 1.045 120 L CA -1.276 53.879 54.840 0.524 0.000 0.845 120 L CB 1.636 43.882 42.059 0.311 0.000 1.447 120 L HN 0.160 nan 8.230 nan 0.000 0.411 121 M N 0.799 120.538 119.600 0.231 0.000 2.288 121 M HA 0.405 4.885 4.480 -0.000 0.000 0.334 121 M C 0.002 176.224 176.300 -0.130 0.000 1.150 121 M CA -0.268 54.833 55.300 -0.331 0.000 1.118 121 M CB 1.681 34.048 32.600 -0.388 0.000 1.501 121 M HN 0.926 nan 8.290 nan 0.000 0.462 122 T N 0.850 115.237 114.554 -0.278 0.000 2.667 122 T HA -0.020 4.330 4.350 -0.000 0.000 0.305 122 T C 0.948 175.564 174.700 -0.139 0.000 1.022 122 T CA -0.422 61.553 62.100 -0.208 0.000 0.995 122 T CB 0.485 69.206 68.868 -0.245 0.000 1.026 122 T HN 0.776 nan 8.240 nan 0.000 0.527 123 E N 0.129 120.266 120.200 -0.104 0.000 2.208 123 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 123 E C 1.834 178.376 176.600 -0.097 0.000 0.988 123 E CA 0.815 57.171 56.400 -0.073 0.000 0.828 123 E CB 0.011 29.682 29.700 -0.047 0.000 0.763 123 E HN 0.711 nan 8.360 nan 0.000 0.478 124 D N -0.962 119.362 120.400 -0.128 0.000 2.117 124 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 124 D C 1.359 177.567 176.300 -0.153 0.000 0.987 124 D CA 1.868 55.786 54.000 -0.137 0.000 0.829 124 D CB 0.239 40.943 40.800 -0.160 0.000 0.961 124 D HN 0.360 nan 8.370 nan 0.000 0.460 125 G N -0.168 108.508 108.800 -0.206 0.000 2.485 125 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.181 125 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.181 125 G C 0.299 174.991 174.900 -0.347 0.000 0.999 125 G CA 0.434 45.398 45.100 -0.227 0.000 0.721 125 G HN 0.627 nan 8.290 nan 0.000 0.486 126 S N -0.126 115.356 115.700 -0.362 0.000 2.722 126 S HA 0.878 5.348 4.470 -0.000 0.000 0.292 126 S C -0.457 173.827 174.600 -0.525 0.000 1.135 126 S CA -0.794 57.190 58.200 -0.360 0.000 1.003 126 S CB 1.925 64.982 63.200 -0.238 0.000 1.067 126 S HN 0.270 nan 8.310 nan 0.000 0.546 127 F N -0.474 119.416 119.950 -0.099 0.000 2.541 127 F HA 0.640 5.167 4.527 -0.000 0.000 0.331 127 F C -0.193 175.551 175.800 -0.093 0.000 1.057 127 F CA -1.113 56.838 58.000 -0.082 0.000 0.975 127 F CB 1.414 40.386 39.000 -0.047 0.000 1.246 127 F HN 0.385 nan 8.300 nan 0.000 0.484 128 I N 3.733 124.394 120.570 0.151 0.000 2.382 128 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 128 I C -1.132 175.033 176.117 0.080 0.000 1.002 128 I CA -0.296 61.042 61.300 0.063 0.000 1.135 128 I CB 1.258 39.263 38.000 0.008 0.000 1.288 128 I HN 0.223 nan 8.210 nan 0.000 0.448 129 I N 6.456 127.060 120.570 0.056 0.000 2.466 129 I HA 0.271 4.441 4.170 -0.000 0.000 0.279 129 I C -0.343 175.803 176.117 0.048 0.000 1.033 129 I CA -0.596 60.734 61.300 0.049 0.000 1.123 129 I CB 0.808 38.850 38.000 0.070 0.000 1.237 129 I HN 0.680 nan 8.210 nan 0.000 0.460 130 N N 4.576 123.296 118.700 0.034 0.000 2.681 130 N HA -0.182 4.558 4.740 -0.000 0.000 0.259 130 N C 0.708 176.238 175.510 0.034 0.000 1.066 130 N CA 1.138 54.205 53.050 0.028 0.000 0.717 130 N CB -0.852 37.656 38.487 0.035 0.000 0.885 130 N HN 1.145 nan 8.380 nan 0.000 0.547 131 G N -0.141 108.672 108.800 0.022 0.000 2.645 131 G HA2 0.197 4.157 3.960 -0.000 0.000 0.239 131 G HA3 0.197 4.157 3.960 -0.000 0.000 0.239 131 G C -0.009 174.899 174.900 0.013 0.000 1.331 131 G CA 1.110 46.223 45.100 0.022 0.000 0.890 131 G HN 1.886 nan 8.290 nan 0.000 0.572 132 A N -1.346 121.470 122.820 -0.005 0.000 2.327 132 A HA 0.174 4.494 4.320 -0.000 0.000 0.646 132 A C 0.169 177.663 177.584 -0.149 0.000 0.208 132 A CA 1.872 53.862 52.037 -0.078 0.000 0.217 132 A CB -1.086 17.943 19.000 0.048 0.000 3.743 132 A HN 1.953 nan 8.150 nan 0.000 0.516 133 D N 1.811 122.046 120.400 -0.274 0.000 2.372 133 D HA 0.602 5.242 4.640 -0.000 0.000 0.243 133 D C 0.797 176.942 176.300 -0.259 0.000 1.121 133 D CA 0.318 54.172 54.000 -0.242 0.000 0.898 133 D CB 0.498 41.134 40.800 -0.274 0.000 1.202 133 D HN 0.615 nan 8.370 nan 0.000 0.428 134 R N 0.602 121.038 120.500 -0.107 0.000 2.808 134 R HA 0.667 5.007 4.340 -0.000 0.000 0.272 134 R C -1.559 174.731 176.300 -0.018 0.000 0.995 134 R CA -1.065 55.013 56.100 -0.038 0.000 0.917 134 R CB 2.132 32.481 30.300 0.082 0.000 1.217 134 R HN 0.203 nan 8.270 nan 0.000 0.471 135 V N 3.419 123.275 119.914 -0.096 0.000 2.483 135 V HA 0.335 4.455 4.120 -0.000 0.000 0.297 135 V C -0.242 175.836 176.094 -0.028 0.000 1.027 135 V CA -0.833 61.369 62.300 -0.164 0.000 0.855 135 V CB 1.929 33.333 31.823 -0.698 0.000 0.995 135 V HN 0.536 nan 8.190 nan 0.000 0.424 136 I N 5.621 126.262 120.570 0.118 0.000 2.308 136 I HA 0.220 4.390 4.170 -0.000 0.000 0.293 136 I C 0.297 176.452 176.117 0.064 0.000 1.078 136 I CA -0.006 61.344 61.300 0.084 0.000 1.292 136 I CB 1.094 39.186 38.000 0.153 0.000 1.423 136 I HN 0.238 nan 8.210 nan 0.000 0.493 137 V N 6.809 126.752 119.914 0.049 0.000 2.583 137 V HA 0.173 4.293 4.120 -0.000 0.000 0.287 137 V C 0.597 176.730 176.094 0.064 0.000 1.051 137 V CA -0.345 62.000 62.300 0.075 0.000 1.010 137 V CB 1.661 33.557 31.823 0.121 0.000 0.988 137 V HN 0.868 nan 8.190 nan 0.000 0.478 138 S N 5.429 121.166 115.700 0.061 0.000 2.523 138 S HA 0.474 4.944 4.470 -0.000 0.000 0.275 138 S C -0.377 174.252 174.600 0.049 0.000 1.281 138 S CA -0.724 57.506 58.200 0.051 0.000 1.050 138 S CB 1.024 64.249 63.200 0.042 0.000 0.937 138 S HN 0.814 nan 8.310 nan 0.000 0.492 139 Q N 2.360 122.191 119.800 0.050 0.000 2.266 139 Q HA 0.685 5.025 4.340 -0.000 0.000 0.261 139 Q C -0.828 175.230 176.000 0.098 0.000 0.985 139 Q CA -1.067 54.771 55.803 0.059 0.000 0.873 139 Q CB 0.986 29.748 28.738 0.040 0.000 1.306 139 Q HN 0.836 nan 8.270 nan 0.000 0.447 140 I N 0.437 121.069 120.570 0.102 0.000 2.441 140 I HA 0.615 4.785 4.170 -0.000 0.000 0.295 140 I C -0.639 175.594 176.117 0.194 0.000 0.994 140 I CA -0.783 60.591 61.300 0.123 0.000 1.144 140 I CB 1.669 39.694 38.000 0.041 0.000 1.314 140 I HN 0.798 nan 8.210 nan 0.000 0.445 141 H N 2.911 121.986 119.070 0.008 0.000 2.990 141 H HA 0.536 5.092 4.556 -0.000 0.000 0.343 141 H C -1.122 174.237 175.328 0.052 0.000 1.270 141 H CA -1.405 54.665 56.048 0.037 0.000 1.118 141 H CB 1.009 30.799 29.762 0.047 0.000 1.861 141 H HN 0.702 nan 8.280 nan 0.000 0.544 142 R N 0.757 121.256 120.500 -0.002 0.000 2.583 142 R HA 0.084 4.424 4.340 -0.000 0.000 0.274 142 R C 0.154 176.371 176.300 -0.137 0.000 0.998 142 R CA 0.415 56.507 56.100 -0.013 0.000 1.081 142 R CB 0.299 30.694 30.300 0.158 0.000 0.940 142 R HN 0.639 nan 8.270 nan 0.000 0.413 143 S N 5.890 121.569 115.700 -0.036 0.000 2.523 143 S HA 0.299 4.769 4.470 -0.000 0.000 0.275 143 S C -2.130 172.508 174.600 0.065 0.000 1.281 143 S CA -1.599 56.579 58.200 -0.035 0.000 1.050 143 S CB 0.708 63.970 63.200 0.102 0.000 0.937 143 S HN 0.415 nan 8.310 nan 0.000 0.492 144 P HA 0.282 nan 4.420 nan 0.000 0.263 144 P C 0.420 177.597 177.300 -0.205 0.000 1.168 144 P CA 0.597 63.641 63.100 -0.092 0.000 0.759 144 P CB 0.028 31.699 31.700 -0.049 0.000 0.782 145 G N 0.765 109.325 108.800 -0.401 0.000 2.351 145 G HA2 0.308 4.268 3.960 -0.000 0.000 0.279 145 G HA3 0.308 4.268 3.960 -0.000 0.000 0.279 145 G C -1.742 172.689 174.900 -0.781 0.000 1.297 145 G CA -0.588 44.185 45.100 -0.546 0.000 0.886 145 G HN 0.401 nan 8.290 nan 0.000 0.493 146 V N 0.119 119.540 119.914 -0.821 0.000 2.715 146 V HA 0.694 4.814 4.120 -0.000 0.000 0.310 146 V C -0.038 175.472 176.094 -0.973 0.000 1.054 146 V CA -0.300 61.490 62.300 -0.849 0.000 0.928 146 V CB 1.645 33.060 31.823 -0.679 0.000 1.007 146 V HN 0.855 nan 8.190 nan 0.000 0.437 147 Y N 1.095 120.941 120.300 -0.756 0.000 3.012 147 Y HA 0.338 4.888 4.550 -0.000 0.000 0.236 147 Y C 1.052 176.643 175.900 -0.515 0.000 1.017 147 Y CA 0.085 57.859 58.100 -0.544 0.000 1.364 147 Y CB 0.651 38.936 38.460 -0.292 0.000 1.491 147 Y HN 0.629 nan 8.280 nan 0.000 0.435 148 F N -1.549 118.413 119.950 0.020 0.000 2.486 148 F HA -0.330 4.197 4.527 -0.000 0.000 0.750 148 F C 0.258 176.106 175.800 0.079 0.000 0.485 148 F CA 0.638 58.635 58.000 -0.005 0.000 0.796 148 F CB -1.744 37.192 39.000 -0.107 0.000 1.935 148 F HN 0.012 nan 8.300 nan 0.000 0.275 149 T N -0.239 114.499 114.554 0.306 0.000 0.541 149 T HA 0.004 4.354 4.350 -0.000 0.000 0.774 149 T C -2.861 171.999 174.700 0.267 0.000 0.992 149 T CA -0.272 61.960 62.100 0.219 0.000 4.077 149 T CB -0.962 67.990 68.868 0.139 0.000 2.303 149 T HN 0.479 nan 8.240 nan 0.000 0.398 150 P HA 0.360 nan 4.420 nan 0.000 0.282 150 P C -0.677 176.616 177.300 -0.011 0.000 1.249 150 P CA -0.275 62.853 63.100 0.047 0.000 0.806 150 P CB 0.711 32.402 31.700 -0.015 0.000 0.984 151 D N 3.419 123.766 120.400 -0.089 0.000 2.346 151 D HA 0.053 4.693 4.640 -0.000 0.000 0.260 151 D C -1.172 175.099 176.300 -0.049 0.000 1.252 151 D CA -1.642 52.334 54.000 -0.041 0.000 0.895 151 D CB 0.772 41.545 40.800 -0.044 0.000 1.097 151 D HN 0.217 nan 8.370 nan 0.000 0.489 152 P HA -0.029 nan 4.420 nan 0.000 0.221 152 P C 0.939 178.228 177.300 -0.018 0.000 1.155 152 P CA 0.480 63.569 63.100 -0.017 0.000 0.812 152 P CB 0.309 32.008 31.700 -0.002 0.000 0.801 153 A N 0.182 122.996 122.820 -0.010 0.000 1.968 153 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 153 A C 1.478 179.053 177.584 -0.014 0.000 1.169 153 A CA 0.717 52.749 52.037 -0.008 0.000 0.638 153 A CB -0.587 18.414 19.000 0.002 0.000 0.812 153 A HN 0.120 nan 8.150 nan 0.000 0.446 154 R N 0.283 120.769 120.500 -0.024 0.000 2.312 154 R HA 0.332 4.672 4.340 -0.000 0.000 0.310 154 R C -2.994 173.267 176.300 -0.066 0.000 1.064 154 R CA -2.071 54.010 56.100 -0.033 0.000 0.983 154 R CB 1.034 31.322 30.300 -0.020 0.000 1.139 154 R HN 0.096 nan 8.270 nan 0.000 0.536 155 P HA -0.031 nan 4.420 nan 0.000 0.261 155 P C 0.526 177.765 177.300 -0.101 0.000 1.183 155 P CA 0.806 63.862 63.100 -0.074 0.000 0.761 155 P CB 0.703 32.376 31.700 -0.046 0.000 0.785 156 G N 1.951 110.656 108.800 -0.159 0.000 2.225 156 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 156 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 156 G C 0.086 174.810 174.900 -0.293 0.000 1.060 156 G CA -0.340 44.642 45.100 -0.196 0.000 0.833 156 G HN 0.549 nan 8.290 nan 0.000 0.498 157 R N -1.716 118.501 120.500 -0.471 0.000 2.831 157 R HA 0.732 5.072 4.340 -0.000 0.000 0.266 157 R C -1.242 174.635 176.300 -0.704 0.000 1.051 157 R CA -0.744 55.102 56.100 -0.424 0.000 0.943 157 R CB 1.267 31.498 30.300 -0.115 0.000 1.228 157 R HN 0.227 nan 8.270 nan 0.000 0.467 158 Y N 0.218 120.560 120.300 0.071 0.000 2.433 158 Y HA 0.426 4.976 4.550 -0.000 0.000 0.337 158 Y C 0.373 176.341 175.900 0.113 0.000 1.026 158 Y CA -1.080 57.071 58.100 0.086 0.000 1.037 158 Y CB 1.273 39.772 38.460 0.065 0.000 1.245 158 Y HN 0.460 nan 8.280 nan 0.000 0.443 159 I N 0.406 121.128 120.570 0.254 0.000 2.918 159 I HA 1.003 5.173 4.170 -0.000 0.000 0.316 159 I C -0.251 176.024 176.117 0.263 0.000 1.001 159 I CA -1.042 60.384 61.300 0.210 0.000 1.142 159 I CB 1.665 39.760 38.000 0.159 0.000 1.356 159 I HN 0.613 nan 8.210 nan 0.000 0.524 160 A N 2.291 125.225 122.820 0.190 0.000 2.375 160 A HA 0.700 5.020 4.320 -0.000 0.000 0.291 160 A C -0.608 176.943 177.584 -0.054 0.000 1.160 160 A CA -0.540 51.581 52.037 0.141 0.000 0.747 160 A CB 0.575 19.689 19.000 0.189 0.000 1.170 160 A HN 0.724 nan 8.150 nan 0.000 0.458 161 S N 2.315 117.925 115.700 -0.151 0.000 2.457 161 S HA 0.666 5.136 4.470 -0.000 0.000 0.289 161 S C -0.298 174.033 174.600 -0.447 0.000 1.163 161 S CA -0.322 57.737 58.200 -0.235 0.000 1.078 161 S CB 0.838 63.989 63.200 -0.081 0.000 0.987 161 S HN 0.543 nan 8.310 nan 0.000 0.482 162 I N 3.352 123.603 120.570 -0.531 0.000 2.355 162 I HA 0.413 4.583 4.170 -0.000 0.000 0.288 162 I C -1.010 174.721 176.117 -0.643 0.000 0.999 162 I CA -0.526 60.446 61.300 -0.547 0.000 1.163 162 I CB 1.020 38.746 38.000 -0.456 0.000 1.316 162 I HN 0.548 nan 8.210 nan 0.000 0.454 163 I N 9.557 129.772 120.570 -0.592 0.000 2.410 163 I HA 0.400 4.570 4.170 -0.000 0.000 0.286 163 I C -2.298 173.651 176.117 -0.280 0.000 1.009 163 I CA -1.603 59.378 61.300 -0.532 0.000 1.111 163 I CB 1.887 39.560 38.000 -0.545 0.000 1.262 163 I HN 0.307 nan 8.210 nan 0.000 0.443 164 P HA 0.313 nan 4.420 nan 0.000 0.283 164 P C -0.512 176.787 177.300 -0.002 0.000 1.278 164 P CA -0.742 62.314 63.100 -0.073 0.000 0.834 164 P CB 1.148 32.826 31.700 -0.037 0.000 1.150 165 L N 2.180 123.412 121.223 0.014 0.000 2.525 165 L HA 0.096 4.436 4.340 -0.000 0.000 0.278 165 L C -1.608 175.293 176.870 0.052 0.000 1.218 165 L CA -1.111 53.758 54.840 0.049 0.000 0.878 165 L CB -0.394 41.682 42.059 0.028 0.000 1.127 165 L HN 0.306 nan 8.230 nan 0.000 0.492 166 P HA -0.019 nan 4.420 nan 0.000 0.268 166 P C -0.549 176.751 177.300 0.000 0.000 1.205 166 P CA -0.315 62.801 63.100 0.028 0.000 0.771 166 P CB 0.669 32.326 31.700 -0.072 0.000 0.858 167 K N 1.103 121.511 120.400 0.013 0.000 3.096 167 K HA -0.191 4.129 4.320 -0.000 0.000 0.266 167 K C -0.227 176.378 176.600 0.009 0.000 1.043 167 K CA 0.900 57.189 56.287 0.004 0.000 0.758 167 K CB -1.817 30.671 32.500 -0.021 0.000 1.260 167 K HN 0.609 nan 8.250 nan 0.000 0.481 168 R N -0.421 120.095 120.500 0.026 0.000 2.857 168 R HA 0.378 4.718 4.340 -0.000 0.000 0.216 168 R C -0.107 176.219 176.300 0.044 0.000 1.555 168 R CA 0.017 56.136 56.100 0.032 0.000 1.408 168 R CB 0.853 31.166 30.300 0.022 0.000 1.553 168 R HN 0.480 nan 8.270 nan 0.000 0.708 169 G N 2.048 110.879 108.800 0.052 0.000 2.515 169 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.686 169 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.686 169 G C -3.207 171.719 174.900 0.044 0.000 1.274 169 G CA -1.134 43.998 45.100 0.053 0.000 0.874 169 G HN 0.151 nan 8.290 nan 0.000 0.631 170 P HA 0.460 nan 4.420 nan 0.000 0.285 170 P C -0.498 176.880 177.300 0.129 0.000 1.285 170 P CA -0.846 62.291 63.100 0.062 0.000 0.854 170 P CB 0.865 32.543 31.700 -0.038 0.000 1.180 171 W N 1.788 123.074 121.300 -0.024 0.000 2.368 171 W HA 0.286 4.946 4.660 -0.000 0.000 0.316 171 W C -0.974 175.540 176.519 -0.008 0.000 1.375 171 W CA 0.238 57.575 57.345 -0.012 0.000 1.261 171 W CB 0.294 29.751 29.460 -0.005 0.000 1.298 171 W HN 0.178 nan 8.180 nan 0.000 0.539 172 I N 5.674 126.215 120.570 -0.048 0.000 2.378 172 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 172 I C -0.526 175.564 176.117 -0.044 0.000 0.992 172 I CA -0.232 61.074 61.300 0.010 0.000 1.154 172 I CB 1.641 39.653 38.000 0.019 0.000 1.315 172 I HN 0.128 nan 8.210 nan 0.000 0.448 173 D N 6.668 127.103 120.400 0.059 0.000 2.502 173 D HA 0.522 5.162 4.640 -0.000 0.000 0.249 173 D C -0.751 175.568 176.300 0.031 0.000 1.092 173 D CA -0.242 53.794 54.000 0.059 0.000 0.839 173 D CB 1.919 42.814 40.800 0.158 0.000 1.264 173 D HN 0.226 nan 8.370 nan 0.000 0.511 174 L N 2.206 123.447 121.223 0.029 0.000 2.307 174 L HA 0.545 4.885 4.340 -0.000 0.000 0.282 174 L C 0.170 177.087 176.870 0.078 0.000 1.051 174 L CA -0.638 54.226 54.840 0.039 0.000 0.804 174 L CB 0.883 42.963 42.059 0.036 0.000 1.197 174 L HN 0.403 nan 8.230 nan 0.000 0.431 175 E N 2.119 122.365 120.200 0.077 0.000 2.404 175 E HA 0.238 4.588 4.350 -0.000 0.000 0.298 175 E C -1.157 175.514 176.600 0.118 0.000 0.908 175 E CA -0.757 55.707 56.400 0.108 0.000 0.808 175 E CB 1.616 31.371 29.700 0.090 0.000 1.380 175 E HN 0.250 nan 8.360 nan 0.000 0.392 176 V N 4.319 124.338 119.914 0.175 0.000 2.434 176 V HA 0.030 4.150 4.120 -0.000 0.000 0.281 176 V C -0.009 176.164 176.094 0.132 0.000 1.005 176 V CA 0.343 62.764 62.300 0.202 0.000 1.089 176 V CB 0.058 32.075 31.823 0.324 0.000 0.978 176 V HN 0.706 nan 8.190 nan 0.000 0.474 177 E N 5.526 125.788 120.200 0.103 0.000 2.349 177 E HA 0.339 4.689 4.350 -0.000 0.000 0.262 177 E C 0.780 177.416 176.600 0.059 0.000 1.088 177 E CA -0.037 56.405 56.400 0.070 0.000 0.899 177 E CB 1.110 30.845 29.700 0.059 0.000 1.044 177 E HN 0.740 nan 8.360 nan 0.000 0.420 178 A N 1.213 124.058 122.820 0.041 0.000 2.215 178 A HA -0.030 4.290 4.320 -0.000 0.000 0.208 178 A C 0.751 178.352 177.584 0.029 0.000 1.296 178 A CA 0.360 52.415 52.037 0.030 0.000 0.918 178 A CB -0.622 18.390 19.000 0.019 0.000 0.806 178 A HN 0.426 nan 8.150 nan 0.000 0.490 179 S N -2.934 112.788 115.700 0.038 0.000 3.021 179 S HA 0.470 4.940 4.470 -0.000 0.000 0.252 179 S C 1.199 175.825 174.600 0.043 0.000 0.996 179 S CA 0.424 58.646 58.200 0.036 0.000 1.084 179 S CB 0.008 63.229 63.200 0.035 0.000 1.021 179 S HN 1.656 nan 8.310 nan 0.000 0.566 180 G N 2.058 110.887 108.800 0.048 0.000 2.990 180 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.225 180 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.225 180 G C 0.320 175.273 174.900 0.089 0.000 1.304 180 G CA 0.014 45.148 45.100 0.057 0.000 0.816 180 G HN 1.386 nan 8.290 nan 0.000 0.528 181 V N 0.569 120.533 119.914 0.083 0.000 2.953 181 V HA 0.324 4.444 4.120 -0.000 0.000 0.304 181 V C 1.775 177.939 176.094 0.117 0.000 1.138 181 V CA 0.770 63.126 62.300 0.094 0.000 1.266 181 V CB 1.068 32.935 31.823 0.074 0.000 0.923 181 V HN 0.660 nan 8.190 nan 0.000 0.505 182 V N 1.221 121.207 119.914 0.121 0.000 2.908 182 V HA 0.115 4.235 4.120 -0.000 0.000 0.240 182 V C 1.019 177.150 176.094 0.062 0.000 1.117 182 V CA 1.199 63.575 62.300 0.127 0.000 1.133 182 V CB -0.169 31.741 31.823 0.146 0.000 0.857 182 V HN 1.557 nan 8.190 nan 0.000 0.478 183 T N -0.147 114.424 114.554 0.029 0.000 0.582 183 T HA -0.295 4.055 4.350 -0.000 0.000 0.769 183 T C -0.662 173.952 174.700 -0.144 0.000 0.992 183 T CA 0.248 62.316 62.100 -0.055 0.000 4.053 183 T CB -1.105 67.746 68.868 -0.029 0.000 2.289 183 T HN 0.277 nan 8.240 nan 0.000 0.395 184 M N 3.134 122.510 119.600 -0.372 0.000 2.146 184 M HA 0.367 4.846 4.480 -0.000 0.000 0.357 184 M C 0.375 176.304 176.300 -0.619 0.000 1.261 184 M CA -0.417 54.589 55.300 -0.490 0.000 1.106 184 M CB 1.106 33.306 32.600 -0.667 0.000 1.612 184 M HN 0.786 nan 8.290 nan 0.000 0.470 185 K N 2.884 123.138 120.400 -0.244 0.000 2.123 185 K HA 0.736 5.056 4.320 -0.000 0.000 0.259 185 K C -1.652 174.948 176.600 0.000 0.000 0.960 185 K CA -0.666 55.554 56.287 -0.111 0.000 0.872 185 K CB 1.854 34.354 32.500 -0.000 0.000 1.079 185 K HN 0.568 nan 8.250 nan 0.000 0.440 186 V N 3.365 123.322 119.914 0.073 0.000 2.946 186 V HA 0.120 4.240 4.120 -0.000 0.000 0.258 186 V C -1.352 174.800 176.094 0.097 0.000 1.726 186 V CA -0.501 61.870 62.300 0.118 0.000 0.940 186 V CB 1.743 33.669 31.823 0.172 0.000 1.309 186 V HN 1.038 nan 8.190 nan 0.000 0.458 187 N N 2.741 121.468 118.700 0.046 0.000 2.714 187 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 187 N C 0.748 176.283 175.510 0.042 0.000 1.117 187 N CA 2.568 55.630 53.050 0.020 0.000 0.719 187 N CB -1.129 37.357 38.487 -0.002 0.000 1.081 187 N HN 2.066 nan 8.380 nan 0.000 0.557 188 K N -5.197 115.231 120.400 0.047 0.000 3.274 188 K HA -0.234 4.086 4.320 -0.000 0.000 0.305 188 K C 0.448 177.081 176.600 0.055 0.000 1.225 188 K CA 2.921 59.230 56.287 0.037 0.000 0.904 188 K CB -2.869 29.639 32.500 0.013 0.000 1.227 188 K HN 1.289 nan 8.250 nan 0.000 0.453 189 R N -0.434 120.119 120.500 0.089 0.000 2.474 189 R HA 0.850 5.190 4.340 -0.000 0.000 0.295 189 R C 0.307 176.686 176.300 0.133 0.000 0.980 189 R CA 0.263 56.438 56.100 0.125 0.000 0.934 189 R CB 0.640 31.044 30.300 0.173 0.000 1.101 189 R HN 1.736 nan 8.270 nan 0.000 0.469 190 K N 1.912 122.381 120.400 0.115 0.000 2.413 190 K HA 0.766 5.086 4.320 -0.000 0.000 0.257 190 K C -0.810 175.859 176.600 0.114 0.000 0.946 190 K CA -0.499 55.808 56.287 0.033 0.000 0.823 190 K CB 0.904 33.411 32.500 0.011 0.000 1.109 190 K HN 1.199 nan 8.250 nan 0.000 0.427 191 F N 0.040 120.036 119.950 0.076 0.000 2.576 191 F HA 0.759 5.286 4.527 -0.000 0.000 0.313 191 F C -2.855 172.989 175.800 0.073 0.000 1.078 191 F CA -3.690 54.352 58.000 0.071 0.000 0.921 191 F CB 1.550 40.595 39.000 0.074 0.000 1.232 191 F HN 0.234 nan 8.300 nan 0.000 0.459 192 P HA -0.045 nan 4.420 nan 0.000 0.260 192 P C 1.103 178.570 177.300 0.279 0.000 1.172 192 P CA 0.258 63.475 63.100 0.194 0.000 0.760 192 P CB 0.636 32.448 31.700 0.186 0.000 0.773 193 L N 4.989 126.294 121.223 0.137 0.000 2.012 193 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 193 L C 1.972 178.967 176.870 0.208 0.000 1.073 193 L CA 1.975 56.912 54.840 0.162 0.000 0.748 193 L CB -0.618 41.488 42.059 0.078 0.000 0.891 193 L HN 0.170 nan 8.230 nan 0.000 0.431 194 V N -1.528 118.479 119.914 0.155 0.000 2.257 194 V HA -0.402 3.718 4.120 -0.000 0.000 0.257 194 V C 2.552 178.726 176.094 0.134 0.000 1.077 194 V CA 1.993 64.373 62.300 0.132 0.000 1.063 194 V CB -1.452 30.440 31.823 0.115 0.000 0.664 194 V HN 0.369 nan 8.190 nan 0.000 0.450 195 L N -0.252 121.060 121.223 0.148 0.000 1.976 195 L HA -0.227 4.113 4.340 -0.000 0.000 0.223 195 L C 2.478 179.382 176.870 0.056 0.000 1.081 195 L CA 2.571 57.462 54.840 0.085 0.000 0.784 195 L CB -1.310 40.782 42.059 0.055 0.000 0.896 195 L HN 0.490 nan 8.230 nan 0.000 0.438 196 L N -1.431 119.860 121.223 0.112 0.000 2.131 196 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 196 L C 2.349 179.238 176.870 0.032 0.000 1.092 196 L CA 1.228 56.088 54.840 0.033 0.000 0.759 196 L CB -0.143 41.948 42.059 0.053 0.000 0.903 196 L HN 0.258 nan 8.230 nan 0.000 0.435 197 L N -1.312 119.974 121.223 0.105 0.000 2.056 197 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 197 L C 2.684 179.673 176.870 0.197 0.000 1.078 197 L CA 0.687 55.655 54.840 0.214 0.000 0.749 197 L CB -0.589 41.593 42.059 0.204 0.000 0.901 197 L HN 0.157 nan 8.230 nan 0.000 0.433 198 R N 0.375 120.946 120.500 0.117 0.000 2.127 198 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 198 R C 2.041 178.350 176.300 0.014 0.000 1.134 198 R CA 1.254 57.396 56.100 0.069 0.000 0.975 198 R CB -0.902 29.425 30.300 0.045 0.000 0.865 198 R HN 0.141 nan 8.270 nan 0.000 0.447 199 V N 0.442 120.352 119.914 -0.007 0.000 2.626 199 V HA -0.139 3.981 4.120 -0.000 0.000 0.252 199 V C 1.459 177.535 176.094 -0.031 0.000 1.067 199 V CA 1.369 63.630 62.300 -0.065 0.000 1.081 199 V CB -0.322 31.439 31.823 -0.103 0.000 0.686 199 V HN 0.250 nan 8.190 nan 0.000 0.468 200 L N 0.296 121.527 121.223 0.012 0.000 2.728 200 L HA 0.466 4.806 4.340 -0.000 0.000 0.235 200 L C 1.472 178.193 176.870 -0.247 0.000 1.197 200 L CA 0.539 55.360 54.840 -0.033 0.000 0.992 200 L CB -0.549 41.548 42.059 0.064 0.000 1.263 200 L HN 0.363 nan 8.230 nan 0.000 0.484 201 G N -0.467 108.241 108.800 -0.154 0.000 2.221 201 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.265 201 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.265 201 G C -0.153 174.614 174.900 -0.220 0.000 1.041 201 G CA -0.190 44.806 45.100 -0.173 0.000 0.807 201 G HN 0.434 nan 8.290 nan 0.000 0.502 202 Y N 1.534 121.853 120.300 0.032 0.000 2.425 202 Y HA 0.391 4.941 4.550 -0.000 0.000 0.347 202 Y C 0.999 176.920 175.900 0.035 0.000 0.976 202 Y CA -0.468 57.655 58.100 0.038 0.000 1.190 202 Y CB 0.633 39.122 38.460 0.048 0.000 1.136 202 Y HN 0.461 nan 8.280 nan 0.000 0.517 203 D N 0.295 120.805 120.400 0.182 0.000 2.329 203 D HA 0.025 4.665 4.640 -0.000 0.000 0.246 203 D C 0.928 177.298 176.300 0.117 0.000 1.111 203 D CA -0.731 53.337 54.000 0.115 0.000 0.941 203 D CB 0.858 41.704 40.800 0.077 0.000 1.169 203 D HN 0.613 nan 8.370 nan 0.000 0.441 204 Q N -0.253 119.597 119.800 0.085 0.000 2.515 204 Q HA -0.198 4.142 4.340 -0.000 0.000 0.215 204 Q C 0.768 176.807 176.000 0.066 0.000 0.983 204 Q CA 1.526 57.373 55.803 0.074 0.000 0.905 204 Q CB -0.088 28.685 28.738 0.059 0.000 0.961 204 Q HN 0.689 nan 8.270 nan 0.000 0.503 205 E N -0.305 119.936 120.200 0.068 0.000 2.110 205 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 205 E C 1.747 178.387 176.600 0.067 0.000 0.950 205 E CA 1.036 57.471 56.400 0.057 0.000 0.840 205 E CB -0.010 29.719 29.700 0.048 0.000 0.809 205 E HN 0.338 nan 8.360 nan 0.000 0.465 206 T N 0.646 115.257 114.554 0.096 0.000 3.025 206 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 206 T C 1.531 176.284 174.700 0.088 0.000 1.126 206 T CA 0.582 62.752 62.100 0.116 0.000 1.105 206 T CB -0.059 68.927 68.868 0.197 0.000 0.884 206 T HN -0.093 nan 8.240 nan 0.000 0.522 207 L N 0.599 121.866 121.223 0.073 0.000 2.068 207 L HA 0.177 4.517 4.340 -0.000 0.000 0.204 207 L C 2.667 179.565 176.870 0.046 0.000 1.076 207 L CA 1.091 55.956 54.840 0.040 0.000 0.753 207 L CB -1.004 41.087 42.059 0.054 0.000 0.910 207 L HN 0.143 nan 8.230 nan 0.000 0.439 208 V N -0.761 119.179 119.914 0.044 0.000 2.867 208 V HA -0.226 3.894 4.120 -0.000 0.000 0.260 208 V C 2.571 178.668 176.094 0.005 0.000 1.099 208 V CA 1.246 63.561 62.300 0.025 0.000 1.122 208 V CB -0.641 31.195 31.823 0.022 0.000 0.708 208 V HN 0.375 nan 8.190 nan 0.000 0.490 209 R N -0.246 120.264 120.500 0.016 0.000 2.064 209 R HA 0.006 4.346 4.340 -0.000 0.000 0.221 209 R C 2.218 178.515 176.300 -0.004 0.000 1.136 209 R CA 0.917 57.021 56.100 0.006 0.000 0.980 209 R CB -0.042 30.274 30.300 0.026 0.000 0.876 209 R HN 0.361 nan 8.270 nan 0.000 0.437 210 E N -0.581 119.629 120.200 0.016 0.000 2.442 210 E HA 0.038 4.388 4.350 -0.000 0.000 0.195 210 E C -0.073 176.553 176.600 0.044 0.000 1.030 210 E CA 0.462 56.877 56.400 0.026 0.000 0.869 210 E CB 0.596 30.316 29.700 0.033 0.000 0.857 210 E HN -0.013 nan 8.360 nan 0.000 0.505 211 L N -0.607 120.640 121.223 0.040 0.000 3.483 211 L HA 0.279 4.619 4.340 -0.000 0.000 0.327 211 L C 0.671 177.606 176.870 0.108 0.000 1.318 211 L CA 0.248 55.177 54.840 0.149 0.000 0.979 211 L CB 0.064 42.247 42.059 0.207 0.000 1.404 211 L HN -0.037 nan 8.230 nan 0.000 0.615 212 S N -0.100 115.559 115.700 -0.068 0.000 2.500 212 S HA 0.380 4.850 4.470 -0.000 0.000 0.174 212 S C 1.950 176.377 174.600 -0.288 0.000 0.857 212 S CA 1.326 59.459 58.200 -0.111 0.000 0.905 212 S CB 0.138 63.288 63.200 -0.084 0.000 0.819 212 S HN 0.438 nan 8.310 nan 0.000 0.557 213 A N 0.705 123.321 122.820 -0.340 0.000 2.640 213 A HA -0.288 4.032 4.320 -0.000 0.000 0.338 213 A C 0.546 177.922 177.584 -0.346 0.000 4.514 213 A CA 2.527 54.300 52.037 -0.441 0.000 0.984 213 A CB -2.730 15.837 19.000 -0.721 0.000 0.893 213 A HN 1.057 nan 8.150 nan 0.000 0.482 214 Y N 0.282 120.561 120.300 -0.034 0.000 2.674 214 Y HA 0.448 4.998 4.550 -0.000 0.000 0.354 214 Y C 1.434 177.268 175.900 -0.110 0.000 1.089 214 Y CA -0.118 57.945 58.100 -0.063 0.000 1.444 214 Y CB -0.944 37.487 38.460 -0.048 0.000 1.187 214 Y HN 1.791 nan 8.280 nan 0.000 0.523 215 G N 2.909 111.707 108.800 -0.004 0.000 2.894 215 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.247 215 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.247 215 G C -0.508 174.331 174.900 -0.102 0.000 1.442 215 G CA -0.124 44.940 45.100 -0.060 0.000 0.897 215 G HN 0.694 nan 8.290 nan 0.000 0.550 216 D N 0.518 120.857 120.400 -0.102 0.000 2.561 216 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 216 D C 2.201 178.422 176.300 -0.131 0.000 1.198 216 D CA -0.155 53.790 54.000 -0.092 0.000 0.826 216 D CB 0.137 40.904 40.800 -0.055 0.000 0.992 216 D HN 0.415 nan 8.370 nan 0.000 0.490 217 L N -0.077 120.984 121.223 -0.270 0.000 2.131 217 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 217 L C 2.070 178.812 176.870 -0.215 0.000 1.092 217 L CA 0.774 55.351 54.840 -0.439 0.000 0.759 217 L CB -0.547 40.776 42.059 -1.226 0.000 0.903 217 L HN 0.134 nan 8.230 nan 0.000 0.435 218 V N -2.425 117.439 119.914 -0.082 0.000 3.186 218 V HA -0.267 3.853 4.120 -0.000 0.000 0.270 218 V C 2.267 178.410 176.094 0.081 0.000 1.149 218 V CA 1.195 63.572 62.300 0.128 0.000 1.160 218 V CB -1.089 30.811 31.823 0.128 0.000 0.758 218 V HN 0.508 nan 8.190 nan 0.000 0.516 219 Q N 1.254 121.070 119.800 0.027 0.000 2.112 219 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 219 Q C 2.234 178.265 176.000 0.052 0.000 0.987 219 Q CA 2.028 57.848 55.803 0.028 0.000 0.858 219 Q CB -0.382 28.360 28.738 0.005 0.000 0.905 219 Q HN 0.758 nan 8.270 nan 0.000 0.420 220 G N -0.674 108.169 108.800 0.071 0.000 2.880 220 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.209 220 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.209 220 G C 1.073 176.037 174.900 0.108 0.000 1.157 220 G CA -0.076 45.075 45.100 0.085 0.000 0.779 220 G HN 0.199 nan 8.290 nan 0.000 0.539 221 L N -0.474 120.829 121.223 0.133 0.000 2.307 221 L HA 0.420 4.760 4.340 -0.000 0.000 0.211 221 L C 2.273 179.204 176.870 0.101 0.000 1.099 221 L CA 0.858 55.778 54.840 0.133 0.000 0.816 221 L CB 0.038 42.201 42.059 0.174 0.000 0.952 221 L HN 0.129 nan 8.230 nan 0.000 0.455 222 L N -1.295 119.980 121.223 0.087 0.000 2.253 222 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 222 L C 1.829 178.733 176.870 0.056 0.000 1.078 222 L CA 0.929 55.810 54.840 0.068 0.000 0.805 222 L CB -0.333 41.761 42.059 0.059 0.000 0.963 222 L HN 0.123 nan 8.230 nan 0.000 0.459 223 D N -0.008 120.424 120.400 0.053 0.000 2.351 223 D HA -0.189 4.451 4.640 -0.000 0.000 0.216 223 D C 0.799 177.127 176.300 0.046 0.000 0.968 223 D CA 0.493 54.519 54.000 0.044 0.000 0.899 223 D CB 0.115 40.939 40.800 0.040 0.000 0.907 223 D HN 0.115 nan 8.370 nan 0.000 0.514 224 E N -0.691 119.543 120.200 0.056 0.000 2.261 224 E HA 0.290 4.640 4.350 -0.000 0.000 0.308 224 E C 0.636 177.268 176.600 0.053 0.000 1.400 224 E CA -0.183 56.251 56.400 0.056 0.000 1.542 224 E CB -0.203 29.537 29.700 0.068 0.000 1.369 224 E HN 0.152 nan 8.360 nan 0.000 0.493 225 A N 1.597 124.443 122.820 0.044 0.000 2.239 225 A HA -0.038 4.282 4.320 -0.000 0.000 0.209 225 A C 1.881 179.487 177.584 0.036 0.000 1.171 225 A CA 0.351 52.412 52.037 0.040 0.000 0.768 225 A CB -0.039 18.981 19.000 0.034 0.000 0.790 225 A HN 0.396 nan 8.150 nan 0.000 0.478 226 V N -0.882 119.054 119.914 0.037 0.000 2.287 226 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 226 V C 0.961 177.074 176.094 0.033 0.000 1.053 226 V CA 1.385 63.705 62.300 0.033 0.000 1.027 226 V CB -0.429 31.416 31.823 0.036 0.000 0.646 226 V HN 0.483 nan 8.190 nan 0.000 0.447 227 L N 0.347 121.594 121.223 0.040 0.000 2.470 227 L HA 0.655 4.995 4.340 -0.000 0.000 0.253 227 L C 0.106 177.003 176.870 0.044 0.000 1.163 227 L CA -0.001 54.861 54.840 0.036 0.000 0.932 227 L CB 0.537 42.616 42.059 0.034 0.000 1.213 227 L HN 0.116 nan 8.230 nan 0.000 0.485 228 A N 2.785 125.630 122.820 0.041 0.000 2.812 228 A HA 0.513 4.833 4.320 -0.000 0.000 0.294 228 A C 0.356 177.961 177.584 0.035 0.000 1.014 228 A CA -0.132 51.933 52.037 0.047 0.000 1.024 228 A CB 0.153 19.186 19.000 0.054 0.000 1.162 228 A HN 0.510 nan 8.150 nan 0.000 0.511 229 M N -0.637 118.977 119.600 0.024 0.000 3.178 229 M HA 0.427 4.907 4.480 -0.000 0.000 0.175 229 M C 0.841 177.143 176.300 0.004 0.000 1.704 229 M CA 0.780 56.089 55.300 0.015 0.000 1.550 229 M CB 0.034 32.641 32.600 0.012 0.000 0.891 229 M HN 0.261 nan 8.290 nan 0.000 0.568 230 R N 0.336 120.834 120.500 -0.004 0.000 2.338 230 R HA 0.305 4.645 4.340 -0.000 0.000 0.317 230 R C -2.073 174.208 176.300 -0.031 0.000 0.968 230 R CA -1.720 54.370 56.100 -0.017 0.000 0.849 230 R CB 1.232 31.520 30.300 -0.019 0.000 1.128 230 R HN 0.012 nan 8.270 nan 0.000 0.448 231 P HA -0.170 nan 4.420 nan 0.000 0.215 231 P C 0.227 177.467 177.300 -0.100 0.000 1.157 231 P CA 1.364 64.421 63.100 -0.072 0.000 0.874 231 P CB 0.354 32.006 31.700 -0.080 0.000 0.790 232 E N -0.700 119.443 120.200 -0.094 0.000 2.110 232 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 232 E C 2.078 178.632 176.600 -0.077 0.000 0.988 232 E CA 0.863 57.201 56.400 -0.104 0.000 0.804 232 E CB -0.491 29.159 29.700 -0.083 0.000 0.745 232 E HN 0.205 nan 8.360 nan 0.000 0.458 233 E N 0.008 120.177 120.200 -0.052 0.000 2.274 233 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 233 E C 1.849 178.429 176.600 -0.032 0.000 0.996 233 E CA 0.745 57.125 56.400 -0.033 0.000 0.840 233 E CB 0.037 29.725 29.700 -0.020 0.000 0.772 233 E HN 0.250 nan 8.360 nan 0.000 0.491 234 A N 0.909 123.703 122.820 -0.044 0.000 1.855 234 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 234 A C 2.295 179.839 177.584 -0.068 0.000 1.191 234 A CA 1.342 53.352 52.037 -0.046 0.000 0.613 234 A CB -0.567 18.406 19.000 -0.045 0.000 0.829 234 A HN 0.200 nan 8.150 nan 0.000 0.442 235 M N -0.459 119.078 119.600 -0.105 0.000 2.116 235 M HA -0.222 4.258 4.480 -0.000 0.000 0.255 235 M C 2.106 178.376 176.300 -0.049 0.000 1.075 235 M CA 1.833 57.052 55.300 -0.135 0.000 1.087 235 M CB -0.459 32.015 32.600 -0.210 0.000 1.340 235 M HN 0.326 nan 8.290 nan 0.000 0.402 236 V N -0.140 119.768 119.914 -0.011 0.000 2.244 236 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 236 V C 2.277 178.410 176.094 0.064 0.000 1.042 236 V CA 1.695 64.035 62.300 0.067 0.000 1.006 236 V CB -0.745 31.100 31.823 0.037 0.000 0.641 236 V HN 0.433 nan 8.190 nan 0.000 0.446 237 R N -0.437 120.070 120.500 0.011 0.000 2.159 237 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 237 R C 2.137 178.426 176.300 -0.020 0.000 1.131 237 R CA 1.231 57.329 56.100 -0.003 0.000 0.982 237 R CB -0.744 29.552 30.300 -0.006 0.000 0.868 237 R HN 0.360 nan 8.270 nan 0.000 0.453 238 L N 0.299 121.496 121.223 -0.044 0.000 1.988 238 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 238 L C 2.157 179.033 176.870 0.009 0.000 1.071 238 L CA 1.529 56.297 54.840 -0.120 0.000 0.744 238 L CB -0.882 41.048 42.059 -0.214 0.000 0.893 238 L HN -0.022 nan 8.230 nan 0.000 0.433 239 F N 0.591 120.476 119.950 -0.108 0.000 2.085 239 F HA -0.333 4.194 4.527 -0.000 0.000 0.299 239 F C 2.439 178.219 175.800 -0.034 0.000 1.096 239 F CA 2.234 60.199 58.000 -0.058 0.000 1.227 239 F CB -1.251 37.714 39.000 -0.059 0.000 0.983 239 F HN 0.212 nan 8.300 nan 0.000 0.482 240 T N 1.010 115.526 114.554 -0.064 0.000 2.665 240 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 240 T C 2.202 176.846 174.700 -0.093 0.000 1.035 240 T CA 1.822 63.832 62.100 -0.151 0.000 1.151 240 T CB -0.783 68.040 68.868 -0.077 0.000 0.862 240 T HN 0.310 nan 8.240 nan 0.000 0.438 241 L N -0.283 120.920 121.223 -0.034 0.000 2.044 241 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 241 L C 2.155 179.044 176.870 0.032 0.000 1.075 241 L CA 0.759 55.602 54.840 0.004 0.000 0.747 241 L CB -0.309 41.763 42.059 0.021 0.000 0.903 241 L HN 0.148 nan 8.230 nan 0.000 0.435 242 L N 0.019 121.268 121.223 0.044 0.000 1.913 242 L HA -0.135 4.205 4.340 -0.000 0.000 0.217 242 L C 0.959 177.880 176.870 0.085 0.000 1.086 242 L CA 1.679 56.583 54.840 0.107 0.000 0.772 242 L CB -0.823 41.337 42.059 0.168 0.000 0.887 242 L HN 0.208 nan 8.230 nan 0.000 0.432 243 R N 0.307 120.859 120.500 0.087 0.000 2.278 243 R HA 0.342 4.682 4.340 -0.000 0.000 0.322 243 R C -2.259 173.968 176.300 -0.123 0.000 1.058 243 R CA -1.665 54.460 56.100 0.041 0.000 0.991 243 R CB 0.636 31.027 30.300 0.152 0.000 1.140 243 R HN 0.234 nan 8.270 nan 0.000 0.518 244 P HA 0.323 nan 4.420 nan 0.000 0.278 244 P C 0.733 177.934 177.300 -0.164 0.000 1.266 244 P CA -0.111 62.893 63.100 -0.161 0.000 0.807 244 P CB 1.100 32.751 31.700 -0.083 0.000 1.094 245 G N -0.521 108.179 108.800 -0.166 0.000 2.391 245 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.204 245 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.204 245 G C -0.753 174.067 174.900 -0.134 0.000 1.012 245 G CA -0.037 44.992 45.100 -0.119 0.000 0.651 245 G HN 0.654 nan 8.290 nan 0.000 0.494 246 D N 1.214 121.481 120.400 -0.222 0.000 2.375 246 D HA 0.472 5.112 4.640 -0.000 0.000 0.259 246 D C -2.895 173.252 176.300 -0.255 0.000 1.235 246 D CA -1.286 52.610 54.000 -0.174 0.000 0.924 246 D CB 2.251 42.998 40.800 -0.089 0.000 1.143 246 D HN 0.279 nan 8.370 nan 0.000 0.529 247 P HA 0.322 nan 4.420 nan 0.000 0.206 247 P C -2.430 174.886 177.300 0.027 0.000 1.867 247 P CA -0.762 62.281 63.100 -0.095 0.000 0.991 247 P CB 0.826 32.471 31.700 -0.092 0.000 1.822 248 P HA 0.427 nan 4.420 nan 0.000 0.328 248 P C 0.963 178.334 177.300 0.119 0.000 1.288 248 P CA -0.401 62.753 63.100 0.089 0.000 0.786 248 P CB 0.802 32.544 31.700 0.069 0.000 1.388 249 K N -0.630 119.797 120.400 0.045 0.000 2.400 249 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 249 K C 1.121 177.686 176.600 -0.059 0.000 1.033 249 K CA 0.795 57.080 56.287 -0.004 0.000 1.021 249 K CB -0.761 31.723 32.500 -0.027 0.000 0.808 249 K HN 0.404 nan 8.250 nan 0.000 0.505 250 K N 1.249 121.620 120.400 -0.048 0.000 3.322 250 K HA 0.079 4.399 4.320 -0.000 0.000 0.291 250 K C 0.957 177.387 176.600 -0.283 0.000 1.131 250 K CA 0.626 56.840 56.287 -0.122 0.000 1.185 250 K CB -0.809 31.646 32.500 -0.073 0.000 1.338 250 K HN 0.567 nan 8.250 nan 0.000 0.380 251 D N 1.805 121.985 120.400 -0.366 0.000 2.162 251 D HA -0.165 4.475 4.640 -0.000 0.000 0.203 251 D C 1.869 177.846 176.300 -0.538 0.000 0.967 251 D CA 0.980 54.535 54.000 -0.743 0.000 0.840 251 D CB -0.159 40.379 40.800 -0.436 0.000 0.972 251 D HN 0.322 nan 8.370 nan 0.000 0.482 252 K N 0.310 120.502 120.400 -0.348 0.000 2.259 252 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 252 K C 2.216 178.736 176.600 -0.134 0.000 1.044 252 K CA 1.733 57.885 56.287 -0.226 0.000 0.931 252 K CB -0.392 31.994 32.500 -0.191 0.000 0.726 252 K HN 0.333 nan 8.250 nan 0.000 0.467 253 A N 0.736 123.414 122.820 -0.237 0.000 1.859 253 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 253 A C 2.110 179.584 177.584 -0.184 0.000 1.198 253 A CA 1.854 53.770 52.037 -0.202 0.000 0.629 253 A CB -0.796 18.073 19.000 -0.218 0.000 0.830 253 A HN 0.410 nan 8.150 nan 0.000 0.446 254 L N -0.679 120.349 121.223 -0.325 0.000 2.049 254 L HA 0.149 4.489 4.340 -0.000 0.000 0.203 254 L C 2.639 179.258 176.870 -0.418 0.000 1.074 254 L CA 2.159 56.839 54.840 -0.267 0.000 0.749 254 L CB -0.836 41.084 42.059 -0.232 0.000 0.907 254 L HN 0.319 nan 8.230 nan 0.000 0.439 255 A N -1.644 120.949 122.820 -0.379 0.000 2.131 255 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 255 A C 2.226 179.748 177.584 -0.105 0.000 1.158 255 A CA 1.627 53.470 52.037 -0.322 0.000 0.665 255 A CB -1.185 17.732 19.000 -0.137 0.000 0.795 255 A HN 0.661 nan 8.150 nan 0.000 0.460 256 Y N -0.197 120.039 120.300 -0.108 0.000 2.293 256 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 256 Y C 1.807 177.592 175.900 -0.191 0.000 1.137 256 Y CA 1.399 59.441 58.100 -0.096 0.000 1.202 256 Y CB -0.156 38.272 38.460 -0.053 0.000 0.990 256 Y HN 0.273 nan 8.280 nan 0.000 0.537 257 L N -0.563 120.623 121.223 -0.062 0.000 1.915 257 L HA -0.259 4.081 4.340 -0.000 0.000 0.225 257 L C 1.318 178.223 176.870 0.058 0.000 1.084 257 L CA 1.724 56.579 54.840 0.025 0.000 0.788 257 L CB -1.249 40.889 42.059 0.132 0.000 0.892 257 L HN 0.173 nan 8.230 nan 0.000 0.434 258 F N -0.021 119.967 119.950 0.064 0.000 2.660 258 F HA 0.365 4.892 4.527 -0.000 0.000 0.342 258 F C 0.995 176.812 175.800 0.027 0.000 1.222 258 F CA -0.180 57.863 58.000 0.070 0.000 1.396 258 F CB -2.072 37.003 39.000 0.125 0.000 1.466 258 F HN 0.072 nan 8.300 nan 0.000 0.588 259 G N -0.488 108.268 108.800 -0.073 0.000 3.481 259 G HA2 0.558 4.518 3.960 -0.000 0.000 0.180 259 G HA3 0.558 4.518 3.960 -0.000 0.000 0.180 259 G C -0.073 174.644 174.900 -0.305 0.000 1.345 259 G CA 0.108 45.042 45.100 -0.276 0.000 1.104 259 G HN 0.433 nan 8.290 nan 0.000 0.749 260 L N 0.664 121.536 121.223 -0.585 0.000 2.469 260 L HA 0.917 5.257 4.340 -0.000 0.000 0.253 260 L C 0.939 177.703 176.870 -0.176 0.000 1.143 260 L CA -0.391 54.191 54.840 -0.429 0.000 0.804 260 L CB -0.193 41.509 42.059 -0.595 0.000 1.214 260 L HN 2.156 nan 8.230 nan 0.000 0.476 261 L N -0.971 120.253 121.223 0.001 0.000 0.616 261 L HA 0.031 4.371 4.340 -0.000 0.000 0.357 261 L C 0.553 177.477 176.870 0.089 0.000 1.004 261 L CA 0.374 55.291 54.840 0.128 0.000 1.223 261 L CB -1.025 41.226 42.059 0.321 0.000 0.132 261 L HN 2.426 nan 8.230 nan 0.000 0.117 262 A N 2.390 125.257 122.820 0.080 0.000 2.223 262 A HA -0.002 4.318 4.320 -0.000 0.000 0.222 262 A C 1.369 178.995 177.584 0.070 0.000 1.317 262 A CA 0.795 52.870 52.037 0.064 0.000 0.985 262 A CB -0.623 18.408 19.000 0.053 0.000 0.858 262 A HN 0.968 nan 8.150 nan 0.000 0.496 263 D N 1.600 122.056 120.400 0.093 0.000 2.119 263 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 263 D C -0.478 175.875 176.300 0.088 0.000 0.987 263 D CA 2.198 56.254 54.000 0.093 0.000 0.858 263 D CB -0.445 40.431 40.800 0.126 0.000 1.008 263 D HN 0.374 nan 8.370 nan 0.000 0.450 264 P HA 0.128 nan 4.420 nan 0.000 0.197 264 P C -0.094 177.258 177.300 0.086 0.000 1.115 264 P CA 0.240 63.406 63.100 0.109 0.000 0.896 264 P CB 0.029 31.835 31.700 0.176 0.000 0.737 265 K N 1.075 121.536 120.400 0.102 0.000 2.165 265 K HA 0.377 4.697 4.320 -0.000 0.000 0.270 265 K C 0.231 176.853 176.600 0.037 0.000 1.091 265 K CA 0.309 56.636 56.287 0.067 0.000 1.019 265 K CB -1.196 31.356 32.500 0.087 0.000 1.101 265 K HN 0.040 nan 8.250 nan 0.000 0.397 266 R N 2.611 123.127 120.500 0.026 0.000 2.651 266 R HA 0.243 4.583 4.340 -0.000 0.000 0.282 266 R C 0.919 177.222 176.300 0.004 0.000 1.565 266 R CA 0.234 56.343 56.100 0.015 0.000 1.661 266 R CB -1.241 29.073 30.300 0.022 0.000 1.189 266 R HN 0.713 nan 8.270 nan 0.000 0.621 267 Y N -1.233 119.060 120.300 -0.013 0.000 2.365 267 Y HA 0.186 4.736 4.550 -0.000 0.000 0.287 267 Y C 0.972 176.863 175.900 -0.015 0.000 1.162 267 Y CA 1.894 59.976 58.100 -0.031 0.000 1.260 267 Y CB -0.465 37.952 38.460 -0.072 0.000 0.976 267 Y HN 1.094 nan 8.280 nan 0.000 0.548 268 D N -4.201 116.198 120.400 -0.002 0.000 2.722 268 D HA 0.675 5.315 4.640 -0.000 0.000 0.231 268 D C 0.525 176.836 176.300 0.020 0.000 1.218 268 D CA -0.030 53.980 54.000 0.016 0.000 0.753 268 D CB 0.377 41.193 40.800 0.027 0.000 1.471 268 D HN 1.170 nan 8.370 nan 0.000 0.455 269 L N -0.425 120.815 121.223 0.028 0.000 2.185 269 L HA 0.806 5.146 4.340 -0.000 0.000 0.198 269 L C 2.179 179.071 176.870 0.035 0.000 1.079 269 L CA 1.958 56.815 54.840 0.029 0.000 0.780 269 L CB -0.552 41.525 42.059 0.030 0.000 0.955 269 L HN 1.413 nan 8.230 nan 0.000 0.462 270 G N -0.370 108.458 108.800 0.048 0.000 4.238 270 G HA2 0.434 4.394 3.960 -0.000 0.000 0.292 270 G HA3 0.434 4.394 3.960 -0.000 0.000 0.292 270 G C 0.296 175.257 174.900 0.101 0.000 1.036 270 G CA 0.062 45.201 45.100 0.064 0.000 0.812 270 G HN 0.500 nan 8.290 nan 0.000 0.489 271 E N 0.310 120.566 120.200 0.093 0.000 3.597 271 E HA 0.500 4.850 4.350 -0.000 0.000 0.372 271 E C 1.788 178.469 176.600 0.136 0.000 0.630 271 E CA -0.047 56.418 56.400 0.107 0.000 2.363 271 E CB -0.002 29.741 29.700 0.070 0.000 2.062 271 E HN 0.001 nan 8.360 nan 0.000 0.569 272 A N 0.572 123.451 122.820 0.098 0.000 1.903 272 A HA 0.050 4.370 4.320 -0.000 0.000 0.213 272 A C 2.178 179.791 177.584 0.048 0.000 1.185 272 A CA 1.688 53.773 52.037 0.080 0.000 0.628 272 A CB -1.427 17.629 19.000 0.093 0.000 0.830 272 A HN 0.556 nan 8.150 nan 0.000 0.446 273 G N -0.301 108.499 108.800 0.001 0.000 2.740 273 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.224 273 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.224 273 G C 1.754 176.627 174.900 -0.045 0.000 1.156 273 G CA 3.384 48.452 45.100 -0.053 0.000 0.766 273 G HN 0.860 nan 8.290 nan 0.000 0.623 274 R N -0.642 119.862 120.500 0.007 0.000 2.052 274 R HA 0.116 4.456 4.340 -0.000 0.000 0.224 274 R C 2.306 178.640 176.300 0.056 0.000 1.165 274 R CA 1.525 57.631 56.100 0.009 0.000 0.939 274 R CB -1.590 28.716 30.300 0.011 0.000 0.834 274 R HN 0.529 nan 8.270 nan 0.000 0.435 275 Y N 1.629 121.907 120.300 -0.038 0.000 2.038 275 Y HA -0.433 4.117 4.550 -0.000 0.000 0.266 275 Y C 3.059 178.927 175.900 -0.054 0.000 1.220 275 Y CA 3.928 62.007 58.100 -0.034 0.000 1.107 275 Y CB -0.392 38.057 38.460 -0.018 0.000 0.932 275 Y HN 0.481 nan 8.280 nan 0.000 0.500 276 K N -0.070 120.448 120.400 0.196 0.000 1.991 276 K HA -0.119 4.201 4.320 -0.000 0.000 0.212 276 K C 2.136 178.723 176.600 -0.022 0.000 1.049 276 K CA 1.797 58.108 56.287 0.040 0.000 0.932 276 K CB -1.809 30.642 32.500 -0.082 0.000 0.717 276 K HN 0.621 nan 8.250 nan 0.000 0.441 277 A N 0.523 123.296 122.820 -0.077 0.000 2.121 277 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 277 A C 2.019 179.579 177.584 -0.041 0.000 1.154 277 A CA 1.566 53.540 52.037 -0.106 0.000 0.679 277 A CB -0.187 18.723 19.000 -0.150 0.000 0.795 277 A HN 0.696 nan 8.150 nan 0.000 0.458 278 E N -1.401 118.790 120.200 -0.015 0.000 2.481 278 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 278 E C 1.492 178.086 176.600 -0.009 0.000 1.047 278 E CA 0.699 57.085 56.400 -0.022 0.000 0.867 278 E CB 0.193 29.858 29.700 -0.058 0.000 0.858 278 E HN 0.699 nan 8.360 nan 0.000 0.513 279 E N -0.700 119.517 120.200 0.028 0.000 2.421 279 E HA 0.051 4.401 4.350 -0.000 0.000 0.209 279 E C 1.601 178.230 176.600 0.049 0.000 0.871 279 E CA 0.839 57.267 56.400 0.046 0.000 1.064 279 E CB 0.428 30.195 29.700 0.111 0.000 1.075 279 E HN 0.033 nan 8.360 nan 0.000 0.513 280 K N -0.182 120.239 120.400 0.035 0.000 2.354 280 K HA 0.309 4.629 4.320 -0.000 0.000 0.194 280 K C 1.189 177.869 176.600 0.134 0.000 1.045 280 K CA 0.575 56.894 56.287 0.054 0.000 1.026 280 K CB 0.025 32.507 32.500 -0.030 0.000 0.866 280 K HN 0.090 nan 8.250 nan 0.000 0.530 281 L N -1.425 119.853 121.223 0.092 0.000 2.615 281 L HA 0.680 5.020 4.340 -0.000 0.000 0.206 281 L C 1.226 178.198 176.870 0.170 0.000 1.581 281 L CA 0.938 55.886 54.840 0.179 0.000 3.015 281 L CB 0.711 42.784 42.059 0.024 0.000 2.814 281 L HN 0.156 nan 8.230 nan 0.000 0.914 282 G N -0.489 108.366 108.800 0.092 0.000 4.951 282 G HA2 0.545 4.505 3.960 -0.000 0.000 0.282 282 G HA3 0.545 4.505 3.960 -0.000 0.000 0.282 282 G C -0.700 174.219 174.900 0.031 0.000 1.301 282 G CA 0.237 45.372 45.100 0.058 0.000 0.975 282 G HN 0.521 nan 8.290 nan 0.000 0.589 283 V N -1.306 118.618 119.914 0.016 0.000 3.886 283 V HA 0.088 4.208 4.120 -0.000 0.000 0.551 283 V C 1.305 177.397 176.094 -0.004 0.000 0.715 283 V CA 0.176 62.475 62.300 -0.002 0.000 2.122 283 V CB -0.988 30.833 31.823 -0.005 0.000 2.499 283 V HN 2.393 nan 8.190 nan 0.000 0.524 284 G N 0.532 109.322 108.800 -0.016 0.000 2.675 284 G HA2 0.080 4.040 3.960 -0.000 0.000 0.196 284 G HA3 0.080 4.040 3.960 -0.000 0.000 0.196 284 G C -1.037 173.856 174.900 -0.010 0.000 0.679 284 G CA 0.314 45.406 45.100 -0.012 0.000 0.886 284 G HN 1.667 nan 8.290 nan 0.000 0.320 285 L N 1.407 122.619 121.223 -0.019 0.000 2.622 285 L HA 0.638 4.978 4.340 -0.000 0.000 0.258 285 L C 0.746 177.606 176.870 -0.017 0.000 0.996 285 L CA -0.613 54.217 54.840 -0.017 0.000 0.858 285 L CB 1.986 44.031 42.059 -0.025 0.000 1.449 285 L HN 0.562 nan 8.230 nan 0.000 0.411 286 S N -0.249 115.442 115.700 -0.014 0.000 3.096 286 S HA 0.401 4.871 4.470 -0.000 0.000 0.169 286 S C 0.741 175.335 174.600 -0.010 0.000 0.736 286 S CA 0.376 58.569 58.200 -0.012 0.000 0.976 286 S CB 0.503 63.696 63.200 -0.012 0.000 0.705 286 S HN 0.851 nan 8.310 nan 0.000 0.666 287 G N 0.174 108.967 108.800 -0.013 0.000 2.831 287 G HA2 0.482 4.442 3.960 -0.000 0.000 0.200 287 G HA3 0.482 4.442 3.960 -0.000 0.000 0.200 287 G C 0.229 175.120 174.900 -0.015 0.000 1.130 287 G CA 0.477 45.571 45.100 -0.009 0.000 0.678 287 G HN 0.716 nan 8.290 nan 0.000 0.795 288 R N 0.478 120.965 120.500 -0.022 0.000 2.803 288 R HA 0.705 5.045 4.340 -0.000 0.000 0.276 288 R C -0.278 176.014 176.300 -0.014 0.000 0.978 288 R CA -0.293 55.794 56.100 -0.020 0.000 0.939 288 R CB -0.228 30.053 30.300 -0.032 0.000 1.179 288 R HN 0.104 nan 8.270 nan 0.000 0.472 289 T N 3.892 118.452 114.554 0.011 0.000 2.751 289 T HA 0.384 4.734 4.350 -0.000 0.000 0.279 289 T C 0.347 175.136 174.700 0.148 0.000 0.941 289 T CA 1.052 63.190 62.100 0.063 0.000 1.192 289 T CB -1.196 67.707 68.868 0.059 0.000 0.883 289 T HN 1.878 nan 8.240 nan 0.000 0.534 290 L N 2.535 123.836 121.223 0.130 0.000 1.216 290 L HA -0.133 4.207 4.340 -0.000 0.000 0.393 290 L C -1.007 175.792 176.870 -0.117 0.000 1.003 290 L CA -0.100 54.773 54.840 0.055 0.000 1.226 290 L CB -1.395 40.723 42.059 0.098 0.000 0.676 290 L HN 0.348 nan 8.230 nan 0.000 0.362 291 V N 5.275 125.114 119.914 -0.125 0.000 2.385 291 V HA 0.764 4.884 4.120 -0.000 0.000 0.269 291 V C 1.635 177.537 176.094 -0.320 0.000 1.043 291 V CA 0.606 62.790 62.300 -0.193 0.000 0.906 291 V CB 0.404 32.169 31.823 -0.096 0.000 0.995 291 V HN 1.235 nan 8.190 nan 0.000 0.467 292 R N 4.762 124.908 120.500 -0.591 0.000 2.027 292 R HA 0.175 4.515 4.340 -0.000 0.000 0.191 292 R C 0.982 177.177 176.300 -0.175 0.000 1.221 292 R CA 0.536 56.057 56.100 -0.965 0.000 1.133 292 R CB -0.639 28.642 30.300 -1.698 0.000 0.770 292 R HN 0.544 nan 8.270 nan 0.000 0.515 293 F N 2.258 122.105 119.950 -0.173 0.000 2.440 293 F HA 0.232 4.758 4.527 -0.000 0.000 0.379 293 F C 1.257 177.073 175.800 0.027 0.000 1.061 293 F CA 0.339 58.400 58.000 0.101 0.000 1.026 293 F CB -0.469 38.691 39.000 0.266 0.000 0.967 293 F HN 0.700 nan 8.300 nan 0.000 0.547 294 E N 3.474 123.846 120.200 0.286 0.000 2.329 294 E HA 0.099 4.449 4.350 -0.000 0.000 0.189 294 E C 0.501 177.134 176.600 0.055 0.000 0.997 294 E CA 0.643 57.085 56.400 0.070 0.000 1.062 294 E CB -0.210 29.527 29.700 0.063 0.000 1.260 294 E HN 0.504 nan 8.360 nan 0.000 0.490 295 D N -2.129 118.370 120.400 0.166 0.000 2.908 295 D HA 0.392 5.032 4.640 -0.000 0.000 0.361 295 D C 0.935 177.386 176.300 0.251 0.000 1.416 295 D CA 0.371 54.482 54.000 0.184 0.000 0.796 295 D CB 0.485 41.334 40.800 0.082 0.000 1.185 295 D HN 0.964 nan 8.370 nan 0.000 0.451 296 G N 1.528 110.556 108.800 0.380 0.000 2.313 296 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.215 296 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.215 296 G C 0.280 175.281 174.900 0.168 0.000 1.023 296 G CA 0.141 45.372 45.100 0.218 0.000 0.626 296 G HN 0.556 nan 8.290 nan 0.000 0.503 297 E N 0.231 120.536 120.200 0.175 0.000 2.385 297 E HA 0.618 4.968 4.350 -0.000 0.000 0.254 297 E C -1.032 175.797 176.600 0.383 0.000 1.228 297 E CA -0.725 55.765 56.400 0.149 0.000 0.956 297 E CB 0.843 30.586 29.700 0.072 0.000 1.116 297 E HN 0.061 nan 8.360 nan 0.000 0.507 298 F N 1.093 121.017 119.950 -0.043 0.000 2.375 298 F HA 0.269 4.796 4.527 -0.000 0.000 0.361 298 F C -0.047 175.715 175.800 -0.063 0.000 1.117 298 F CA -1.424 56.540 58.000 -0.060 0.000 1.037 298 F CB 1.377 40.322 39.000 -0.091 0.000 1.192 298 F HN 0.388 nan 8.300 nan 0.000 0.452 299 K N 1.473 121.910 120.400 0.062 0.000 2.156 299 K HA 0.407 4.727 4.320 -0.000 0.000 0.271 299 K C -0.506 176.107 176.600 0.022 0.000 0.995 299 K CA -0.658 55.638 56.287 0.013 0.000 0.890 299 K CB 1.223 33.724 32.500 0.002 0.000 1.073 299 K HN 0.283 nan 8.250 nan 0.000 0.454 300 D N 1.600 122.034 120.400 0.057 0.000 2.339 300 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 300 D C -0.057 176.324 176.300 0.134 0.000 1.115 300 D CA 0.002 54.098 54.000 0.160 0.000 0.917 300 D CB 1.092 42.089 40.800 0.327 0.000 1.192 300 D HN 0.735 nan 8.370 nan 0.000 0.428 301 E N 1.021 121.314 120.200 0.156 0.000 2.783 301 E HA 0.057 4.407 4.350 -0.000 0.000 0.205 301 E C 1.095 177.741 176.600 0.077 0.000 0.955 301 E CA 0.242 56.698 56.400 0.094 0.000 1.594 301 E CB 0.896 30.624 29.700 0.046 0.000 1.686 301 E HN 0.297 nan 8.360 nan 0.000 0.902 302 V N 0.076 120.045 119.914 0.092 0.000 3.250 302 V HA 0.080 4.200 4.120 -0.000 0.000 0.240 302 V C 1.701 177.770 176.094 -0.042 0.000 1.275 302 V CA 0.230 62.509 62.300 -0.036 0.000 1.206 302 V CB -0.157 31.553 31.823 -0.190 0.000 0.976 302 V HN 0.030 nan 8.190 nan 0.000 0.467 303 F N 0.873 120.839 119.950 0.027 0.000 2.095 303 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 303 F C 2.199 177.992 175.800 -0.012 0.000 1.104 303 F CA 2.469 60.481 58.000 0.021 0.000 1.232 303 F CB -0.327 38.714 39.000 0.067 0.000 0.987 303 F HN 0.143 nan 8.300 nan 0.000 0.475 304 L N 1.393 122.714 121.223 0.163 0.000 2.005 304 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 304 L C -0.680 176.195 176.870 0.008 0.000 1.072 304 L CA 1.593 56.431 54.840 -0.004 0.000 0.744 304 L CB -1.868 40.107 42.059 -0.140 0.000 0.895 304 L HN -0.121 nan 8.230 nan 0.000 0.433 305 P HA -0.095 nan 4.420 nan 0.000 0.222 305 P C 1.328 178.693 177.300 0.109 0.000 1.147 305 P CA 1.486 64.629 63.100 0.073 0.000 0.790 305 P CB -0.218 31.525 31.700 0.071 0.000 0.780 306 T N 0.958 115.548 114.554 0.060 0.000 2.639 306 T HA -0.127 4.223 4.350 -0.000 0.000 0.261 306 T C 1.819 176.582 174.700 0.105 0.000 1.053 306 T CA 0.995 63.151 62.100 0.093 0.000 1.158 306 T CB -1.089 67.734 68.868 -0.074 0.000 0.863 306 T HN 0.010 nan 8.240 nan 0.000 0.413 307 L N 0.988 122.202 121.223 -0.014 0.000 2.137 307 L HA -0.113 4.227 4.340 -0.000 0.000 0.213 307 L C 2.520 179.251 176.870 -0.232 0.000 1.085 307 L CA 1.697 56.425 54.840 -0.187 0.000 0.760 307 L CB -0.394 41.521 42.059 -0.240 0.000 0.893 307 L HN 0.103 nan 8.230 nan 0.000 0.434 308 R N -2.213 118.271 120.500 -0.028 0.000 2.070 308 R HA -0.236 4.104 4.340 -0.000 0.000 0.232 308 R C 2.318 178.669 176.300 0.085 0.000 1.138 308 R CA 1.905 58.068 56.100 0.105 0.000 0.936 308 R CB -0.688 29.693 30.300 0.136 0.000 0.839 308 R HN 0.388 nan 8.270 nan 0.000 0.429 309 Y N 1.072 121.335 120.300 -0.062 0.000 2.128 309 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 309 Y C 1.962 177.628 175.900 -0.390 0.000 1.154 309 Y CA 1.732 59.708 58.100 -0.207 0.000 1.149 309 Y CB -0.668 37.730 38.460 -0.103 0.000 0.976 309 Y HN 0.166 nan 8.280 nan 0.000 0.505 310 L N -0.801 120.400 121.223 -0.038 0.000 2.013 310 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 310 L C 2.434 179.349 176.870 0.075 0.000 1.073 310 L CA 1.969 56.744 54.840 -0.108 0.000 0.753 310 L CB -0.782 41.310 42.059 0.055 0.000 0.890 310 L HN 0.264 nan 8.230 nan 0.000 0.432 311 F N -0.489 119.422 119.950 -0.065 0.000 2.134 311 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 311 F C 2.167 177.770 175.800 -0.328 0.000 1.097 311 F CA 0.225 58.199 58.000 -0.043 0.000 1.264 311 F CB -0.305 38.799 39.000 0.172 0.000 1.001 311 F HN 0.213 nan 8.300 nan 0.000 0.479 312 A N -0.242 122.220 122.820 -0.598 0.000 2.223 312 A HA 0.083 4.403 4.320 -0.000 0.000 0.222 312 A C 0.831 178.161 177.584 -0.424 0.000 1.317 312 A CA 0.647 52.068 52.037 -1.028 0.000 0.985 312 A CB -0.704 17.599 19.000 -1.161 0.000 0.858 312 A HN 0.408 nan 8.150 nan 0.000 0.496 313 L N -1.900 119.149 121.223 -0.290 0.000 3.521 313 L HA 0.249 4.589 4.340 -0.000 0.000 0.323 313 L C 0.099 176.749 176.870 -0.368 0.000 1.268 313 L CA 0.655 55.287 54.840 -0.348 0.000 1.064 313 L CB 0.808 42.587 42.059 -0.467 0.000 1.455 313 L HN 0.082 nan 8.230 nan 0.000 0.622 314 T N -0.388 114.096 114.554 -0.117 0.000 3.444 314 T HA 0.790 5.140 4.350 -0.000 0.000 0.265 314 T C 0.543 175.257 174.700 0.024 0.000 1.537 314 T CA 0.316 62.454 62.100 0.063 0.000 1.530 314 T CB 0.908 69.885 68.868 0.181 0.000 0.958 314 T HN 0.299 nan 8.240 nan 0.000 0.684 315 A N 0.794 123.605 122.820 -0.015 0.000 3.570 315 A HA 0.438 4.758 4.320 -0.000 0.000 0.195 315 A C 1.062 178.603 177.584 -0.072 0.000 1.297 315 A CA 0.282 52.308 52.037 -0.019 0.000 1.172 315 A CB -1.312 17.690 19.000 0.004 0.000 0.811 315 A HN 1.947 nan 8.150 nan 0.000 0.390 316 G N -0.979 107.751 108.800 -0.117 0.000 3.032 316 G HA2 0.169 4.128 3.960 -0.000 0.000 0.348 316 G HA3 0.169 4.128 3.960 -0.000 0.000 0.348 316 G C 0.092 174.819 174.900 -0.288 0.000 1.541 316 G CA 0.212 45.157 45.100 -0.257 0.000 1.020 316 G HN 1.907 nan 8.290 nan 0.000 0.562 317 V N 2.337 121.921 119.914 -0.549 0.000 2.585 317 V HA 0.296 4.416 4.120 -0.000 0.000 0.296 317 V C -1.402 174.490 176.094 -0.336 0.000 1.035 317 V CA -0.630 61.348 62.300 -0.537 0.000 1.084 317 V CB 1.054 32.317 31.823 -0.933 0.000 0.953 317 V HN 0.677 nan 8.190 nan 0.000 0.483 318 P HA 0.317 nan 4.420 nan 0.000 0.267 318 P C 0.931 178.203 177.300 -0.046 0.000 1.209 318 P CA 1.201 64.250 63.100 -0.086 0.000 0.763 318 P CB 0.713 32.376 31.700 -0.060 0.000 0.816 319 G N 2.105 110.909 108.800 0.006 0.000 2.259 319 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 319 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 319 G C 0.020 174.995 174.900 0.125 0.000 1.001 319 G CA -0.461 44.672 45.100 0.055 0.000 0.627 319 G HN 0.658 nan 8.290 nan 0.000 0.501 320 H N 2.223 121.208 119.070 -0.141 0.000 2.878 320 H HA 0.450 5.006 4.556 -0.000 0.000 0.290 320 H C -0.208 175.090 175.328 -0.051 0.000 1.065 320 H CA 0.496 56.437 56.048 -0.179 0.000 1.477 320 H CB 0.472 29.995 29.762 -0.399 0.000 1.484 320 H HN 0.607 nan 8.280 nan 0.000 0.504 321 E N 1.572 121.865 120.200 0.154 0.000 2.356 321 E HA 0.283 4.633 4.350 -0.000 0.000 0.275 321 E C -0.535 176.127 176.600 0.103 0.000 0.904 321 E CA -1.019 55.437 56.400 0.094 0.000 0.757 321 E CB 1.565 31.315 29.700 0.082 0.000 1.232 321 E HN 0.237 nan 8.360 nan 0.000 0.442 322 V N -0.287 119.678 119.914 0.084 0.000 3.178 322 V HA 0.069 4.189 4.120 -0.000 0.000 0.306 322 V C 0.225 176.398 176.094 0.132 0.000 1.107 322 V CA -0.139 62.241 62.300 0.133 0.000 1.195 322 V CB 0.256 32.185 31.823 0.176 0.000 0.993 322 V HN 0.691 nan 8.190 nan 0.000 0.493 323 D N 0.649 121.136 120.400 0.144 0.000 2.193 323 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 323 D C -0.763 175.558 176.300 0.035 0.000 1.034 323 D CA -0.259 53.797 54.000 0.093 0.000 0.902 323 D CB 1.775 42.645 40.800 0.116 0.000 1.182 323 D HN 0.767 nan 8.370 nan 0.000 0.436 324 D N 1.997 122.408 120.400 0.018 0.000 2.494 324 D HA 0.169 4.809 4.640 -0.000 0.000 0.217 324 D C 1.138 177.406 176.300 -0.053 0.000 1.153 324 D CA -0.373 53.639 54.000 0.020 0.000 0.954 324 D CB -0.274 40.598 40.800 0.121 0.000 1.034 324 D HN 0.371 nan 8.370 nan 0.000 0.518 325 I N 1.502 121.996 120.570 -0.128 0.000 3.233 325 I HA -0.111 4.059 4.170 -0.000 0.000 0.287 325 I C 1.277 177.322 176.117 -0.120 0.000 1.329 325 I CA 1.251 62.431 61.300 -0.200 0.000 1.385 325 I CB -0.502 37.403 38.000 -0.157 0.000 1.053 325 I HN 0.264 nan 8.210 nan 0.000 0.525 326 D N -2.424 117.912 120.400 -0.106 0.000 2.479 326 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 326 D C 0.665 176.883 176.300 -0.137 0.000 1.104 326 D CA -0.025 53.868 54.000 -0.178 0.000 0.849 326 D CB -0.017 40.568 40.800 -0.357 0.000 1.072 326 D HN 0.790 nan 8.370 nan 0.000 0.502 327 H N 0.752 119.791 119.070 -0.052 0.000 3.001 327 H HA -0.019 4.537 4.556 -0.000 0.000 0.334 327 H C 1.033 176.457 175.328 0.159 0.000 1.034 327 H CA 0.013 56.179 56.048 0.197 0.000 1.420 327 H CB 0.695 30.559 29.762 0.170 0.000 1.405 327 H HN -0.173 nan 8.280 nan 0.000 0.593 328 L N 4.464 125.720 121.223 0.056 0.000 2.675 328 L HA 0.077 4.417 4.340 -0.000 0.000 0.238 328 L C 2.107 179.118 176.870 0.233 0.000 1.155 328 L CA 1.404 56.304 54.840 0.099 0.000 0.881 328 L CB -0.431 41.629 42.059 0.002 0.000 1.008 328 L HN 0.893 nan 8.230 nan 0.000 0.443 329 G N -1.425 107.629 108.800 0.422 0.000 3.042 329 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.212 329 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.212 329 G C 1.009 176.053 174.900 0.240 0.000 1.166 329 G CA -0.030 45.240 45.100 0.282 0.000 0.767 329 G HN 0.377 nan 8.290 nan 0.000 0.546 330 N N 0.241 119.115 118.700 0.290 0.000 2.184 330 N HA 0.129 4.869 4.740 -0.000 0.000 0.234 330 N C -0.302 175.304 175.510 0.160 0.000 1.282 330 N CA -0.139 53.065 53.050 0.256 0.000 0.877 330 N CB 1.240 39.794 38.487 0.111 0.000 1.184 330 N HN 0.089 nan 8.380 nan 0.000 0.510 331 R N 1.557 122.156 120.500 0.166 0.000 2.409 331 R HA 0.347 4.687 4.340 -0.000 0.000 0.313 331 R C 0.171 176.443 176.300 -0.047 0.000 0.953 331 R CA -0.425 55.688 56.100 0.021 0.000 0.849 331 R CB 2.282 32.596 30.300 0.022 0.000 1.171 331 R HN 0.239 nan 8.270 nan 0.000 0.458 332 R N 2.326 122.666 120.500 -0.266 0.000 2.787 332 R HA 0.555 4.895 4.340 -0.000 0.000 0.271 332 R C -0.311 175.865 176.300 -0.208 0.000 0.993 332 R CA -0.785 55.068 56.100 -0.412 0.000 0.993 332 R CB 1.093 30.985 30.300 -0.681 0.000 1.155 332 R HN 0.250 nan 8.270 nan 0.000 0.486 333 I N 1.749 122.224 120.570 -0.159 0.000 2.392 333 I HA 0.374 4.544 4.170 -0.000 0.000 0.295 333 I C 0.204 176.319 176.117 -0.004 0.000 0.985 333 I CA -0.862 60.415 61.300 -0.038 0.000 1.221 333 I CB 1.328 39.309 38.000 -0.031 0.000 1.366 333 I HN 0.596 nan 8.210 nan 0.000 0.467 334 R N 4.218 124.756 120.500 0.063 0.000 2.215 334 R HA 0.384 4.724 4.340 -0.000 0.000 0.337 334 R C -0.178 176.137 176.300 0.024 0.000 1.010 334 R CA -0.437 55.689 56.100 0.043 0.000 0.871 334 R CB 1.273 31.590 30.300 0.027 0.000 1.134 334 R HN 0.655 nan 8.270 nan 0.000 0.477 335 T N -0.308 114.256 114.554 0.018 0.000 2.788 335 T HA 0.053 4.403 4.350 -0.000 0.000 0.287 335 T C 2.035 176.762 174.700 0.046 0.000 1.007 335 T CA -0.922 61.198 62.100 0.034 0.000 1.005 335 T CB 1.015 69.905 68.868 0.037 0.000 1.012 335 T HN 0.172 nan 8.240 nan 0.000 0.530 336 V N 1.797 121.757 119.914 0.076 0.000 2.220 336 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 336 V C 2.942 179.102 176.094 0.111 0.000 1.053 336 V CA 2.429 64.785 62.300 0.093 0.000 1.019 336 V CB -1.942 29.963 31.823 0.138 0.000 0.646 336 V HN 1.154 nan 8.190 nan 0.000 0.455 337 G N -0.925 108.028 108.800 0.256 0.000 2.597 337 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.222 337 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.222 337 G C 1.556 176.498 174.900 0.070 0.000 1.135 337 G CA 1.467 46.739 45.100 0.286 0.000 0.759 337 G HN 0.667 nan 8.290 nan 0.000 0.595 338 E N -0.179 120.031 120.200 0.017 0.000 2.072 338 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 338 E C 2.593 179.129 176.600 -0.107 0.000 0.985 338 E CA 0.628 57.003 56.400 -0.041 0.000 0.801 338 E CB -0.133 29.550 29.700 -0.028 0.000 0.750 338 E HN 0.530 nan 8.360 nan 0.000 0.452 339 L N 0.434 121.569 121.223 -0.146 0.000 2.109 339 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 339 L C 2.736 179.251 176.870 -0.592 0.000 1.086 339 L CA 0.607 55.263 54.840 -0.308 0.000 0.760 339 L CB -0.450 41.463 42.059 -0.243 0.000 0.910 339 L HN 0.277 nan 8.230 nan 0.000 0.437 340 M N 0.586 119.887 119.600 -0.498 0.000 2.086 340 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 340 M C 2.414 178.609 176.300 -0.175 0.000 1.067 340 M CA 2.321 57.375 55.300 -0.410 0.000 1.116 340 M CB -0.496 32.150 32.600 0.075 0.000 1.348 340 M HN 0.276 nan 8.290 nan 0.000 0.407 341 A N 0.105 122.850 122.820 -0.125 0.000 1.972 341 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 341 A C 1.704 179.229 177.584 -0.097 0.000 1.169 341 A CA 2.016 53.974 52.037 -0.131 0.000 0.635 341 A CB -0.854 18.045 19.000 -0.167 0.000 0.810 341 A HN 0.549 nan 8.150 nan 0.000 0.446 342 D N -1.184 119.129 120.400 -0.144 0.000 2.178 342 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 342 D C 2.053 178.272 176.300 -0.135 0.000 0.974 342 D CA 1.304 55.225 54.000 -0.131 0.000 0.841 342 D CB -0.105 40.608 40.800 -0.146 0.000 0.953 342 D HN 0.464 nan 8.370 nan 0.000 0.478 343 Q N -0.914 118.765 119.800 -0.203 0.000 2.212 343 Q HA 0.050 4.390 4.340 -0.000 0.000 0.199 343 Q C 1.643 177.582 176.000 -0.102 0.000 0.950 343 Q CA 0.375 56.070 55.803 -0.180 0.000 0.863 343 Q CB -0.302 28.244 28.738 -0.319 0.000 0.944 343 Q HN 0.213 nan 8.270 nan 0.000 0.465 344 F N 0.335 120.151 119.950 -0.224 0.000 2.171 344 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 344 F C 2.156 177.802 175.800 -0.256 0.000 1.090 344 F CA 1.286 59.141 58.000 -0.241 0.000 1.293 344 F CB 0.110 38.943 39.000 -0.279 0.000 1.013 344 F HN -0.010 nan 8.300 nan 0.000 0.486 345 R N -0.393 120.117 120.500 0.016 0.000 2.115 345 R HA -0.102 4.237 4.340 -0.000 0.000 0.230 345 R C 1.993 178.237 176.300 -0.094 0.000 1.111 345 R CA 1.409 57.480 56.100 -0.049 0.000 0.976 345 R CB -0.233 30.039 30.300 -0.048 0.000 0.870 345 R HN 0.243 nan 8.270 nan 0.000 0.445 346 V N -0.526 119.327 119.914 -0.101 0.000 2.379 346 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 346 V C 2.359 178.374 176.094 -0.131 0.000 1.044 346 V CA 1.821 64.063 62.300 -0.097 0.000 1.036 346 V CB -0.956 30.820 31.823 -0.077 0.000 0.664 346 V HN 0.501 nan 8.190 nan 0.000 0.453 347 G N 0.871 109.555 108.800 -0.194 0.000 2.545 347 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 347 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 347 G C 1.456 176.218 174.900 -0.230 0.000 1.218 347 G CA 1.255 46.208 45.100 -0.246 0.000 0.787 347 G HN 0.318 nan 8.290 nan 0.000 0.571 348 L N 1.636 122.697 121.223 -0.270 0.000 1.971 348 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 348 L C 3.356 180.118 176.870 -0.179 0.000 1.072 348 L CA 1.828 56.531 54.840 -0.229 0.000 0.758 348 L CB -1.516 40.410 42.059 -0.223 0.000 0.889 348 L HN 0.336 nan 8.230 nan 0.000 0.433 349 A N -1.375 121.359 122.820 -0.142 0.000 2.186 349 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 349 A C 2.449 179.980 177.584 -0.089 0.000 1.159 349 A CA 1.622 53.596 52.037 -0.105 0.000 0.680 349 A CB -0.463 18.494 19.000 -0.072 0.000 0.787 349 A HN 0.339 nan 8.150 nan 0.000 0.467 350 R N -1.383 119.058 120.500 -0.097 0.000 2.105 350 R HA 0.183 4.523 4.340 -0.000 0.000 0.214 350 R C 2.063 178.317 176.300 -0.077 0.000 1.091 350 R CA 0.892 56.947 56.100 -0.076 0.000 1.007 350 R CB -0.516 29.741 30.300 -0.072 0.000 0.912 350 R HN 0.523 nan 8.270 nan 0.000 0.450 351 L N 0.357 121.521 121.223 -0.099 0.000 2.042 351 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 351 L C 2.062 178.879 176.870 -0.089 0.000 1.076 351 L CA 2.185 56.975 54.840 -0.083 0.000 0.749 351 L CB -0.588 41.418 42.059 -0.089 0.000 0.893 351 L HN 0.160 nan 8.230 nan 0.000 0.432 352 A N -0.009 122.730 122.820 -0.134 0.000 1.865 352 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 352 A C 2.565 180.101 177.584 -0.079 0.000 1.191 352 A CA 1.993 53.945 52.037 -0.142 0.000 0.623 352 A CB -0.843 18.049 19.000 -0.179 0.000 0.826 352 A HN 0.552 nan 8.150 nan 0.000 0.444 353 R N -0.734 119.729 120.500 -0.063 0.000 2.103 353 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 353 R C 2.285 178.570 176.300 -0.025 0.000 1.142 353 R CA 1.687 57.766 56.100 -0.036 0.000 0.960 353 R CB -0.713 29.570 30.300 -0.029 0.000 0.858 353 R HN 0.530 nan 8.270 nan 0.000 0.439 354 G N -0.181 108.603 108.800 -0.027 0.000 2.404 354 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 354 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 354 G C 1.447 176.344 174.900 -0.005 0.000 1.174 354 G CA 0.722 45.815 45.100 -0.013 0.000 0.780 354 G HN 0.218 nan 8.290 nan 0.000 0.537 355 V N 0.660 120.567 119.914 -0.012 0.000 2.332 355 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 355 V C 2.944 179.040 176.094 0.003 0.000 1.055 355 V CA 2.178 64.479 62.300 0.002 0.000 1.038 355 V CB -0.482 31.338 31.823 -0.005 0.000 0.651 355 V HN 0.302 nan 8.190 nan 0.000 0.450 356 R N -0.334 120.160 120.500 -0.010 0.000 2.105 356 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 356 R C 2.370 178.672 176.300 0.003 0.000 1.135 356 R CA 1.917 58.014 56.100 -0.005 0.000 0.967 356 R CB -0.251 30.040 30.300 -0.014 0.000 0.861 356 R HN 0.705 nan 8.270 nan 0.000 0.442 357 E N 0.328 120.530 120.200 0.003 0.000 2.158 357 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 357 E C 1.760 178.368 176.600 0.013 0.000 0.982 357 E CA 0.737 57.141 56.400 0.008 0.000 0.823 357 E CB 0.240 29.943 29.700 0.006 0.000 0.766 357 E HN 0.259 nan 8.360 nan 0.000 0.468 358 R N -0.274 120.236 120.500 0.016 0.000 2.112 358 R HA 0.100 4.440 4.340 -0.000 0.000 0.216 358 R C 2.526 178.842 176.300 0.028 0.000 1.080 358 R CA 0.985 57.098 56.100 0.022 0.000 0.996 358 R CB -0.176 30.139 30.300 0.026 0.000 0.902 358 R HN 0.270 nan 8.270 nan 0.000 0.449 359 M N 0.532 120.149 119.600 0.030 0.000 2.106 359 M HA -0.199 4.281 4.480 -0.000 0.000 0.259 359 M C 2.309 178.628 176.300 0.033 0.000 1.068 359 M CA 1.630 56.952 55.300 0.036 0.000 1.100 359 M CB -0.474 32.148 32.600 0.036 0.000 1.351 359 M HN -0.027 nan 8.290 nan 0.000 0.404 360 V N 0.311 120.239 119.914 0.025 0.000 2.343 360 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 360 V C 2.384 178.490 176.094 0.020 0.000 1.051 360 V CA 1.729 64.042 62.300 0.021 0.000 1.036 360 V CB -0.465 31.367 31.823 0.015 0.000 0.654 360 V HN 0.475 nan 8.190 nan 0.000 0.451 361 M N -0.190 119.422 119.600 0.020 0.000 2.091 361 M HA 0.021 4.501 4.480 -0.000 0.000 0.259 361 M C 1.443 177.756 176.300 0.021 0.000 1.076 361 M CA 1.760 57.071 55.300 0.019 0.000 1.111 361 M CB -0.930 31.680 32.600 0.018 0.000 1.291 361 M HN 0.479 nan 8.290 nan 0.000 0.417 362 G N 0.033 108.848 108.800 0.025 0.000 2.690 362 G HA2 0.038 3.998 3.960 -0.000 0.000 0.239 362 G HA3 0.038 3.998 3.960 -0.000 0.000 0.239 362 G C -0.406 174.510 174.900 0.028 0.000 1.233 362 G CA -0.423 44.694 45.100 0.028 0.000 0.847 362 G HN 0.340 nan 8.290 nan 0.000 0.588 363 S N 0.867 116.582 115.700 0.024 0.000 2.510 363 S HA 0.275 4.745 4.470 -0.000 0.000 0.279 363 S C -1.027 173.591 174.600 0.029 0.000 1.284 363 S CA -1.121 57.090 58.200 0.019 0.000 1.059 363 S CB 1.015 64.220 63.200 0.009 0.000 0.901 363 S HN 0.349 nan 8.310 nan 0.000 0.491 364 P HA 0.006 nan 4.420 nan 0.000 0.231 364 P C 0.037 177.355 177.300 0.029 0.000 1.158 364 P CA 0.771 63.907 63.100 0.060 0.000 0.763 364 P CB 0.132 31.860 31.700 0.046 0.000 0.805 365 D N -2.864 117.507 120.400 -0.049 0.000 2.398 365 D HA 0.064 4.704 4.640 -0.000 0.000 0.210 365 D C 1.249 177.535 176.300 -0.024 0.000 1.094 365 D CA 0.650 54.556 54.000 -0.156 0.000 0.839 365 D CB 0.063 40.758 40.800 -0.175 0.000 0.963 365 D HN 0.090 nan 8.370 nan 0.000 0.506 366 T N 0.266 114.838 114.554 0.031 0.000 3.039 366 T HA 0.192 4.542 4.350 -0.000 0.000 0.250 366 T C 1.138 175.885 174.700 0.078 0.000 1.052 366 T CA -0.100 62.027 62.100 0.045 0.000 1.125 366 T CB 0.692 69.578 68.868 0.029 0.000 0.908 366 T HN 0.003 nan 8.240 nan 0.000 0.473 367 L N 3.677 124.962 121.223 0.103 0.000 2.477 367 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 367 L C 1.050 177.980 176.870 0.099 0.000 1.157 367 L CA -0.303 54.594 54.840 0.096 0.000 0.889 367 L CB 0.201 42.315 42.059 0.091 0.000 1.158 367 L HN 0.315 nan 8.230 nan 0.000 0.473 368 T N 1.393 115.986 114.554 0.066 0.000 2.889 368 T HA 0.671 5.021 4.350 -0.000 0.000 0.278 368 T C -2.579 172.146 174.700 0.041 0.000 0.995 368 T CA -2.073 60.054 62.100 0.044 0.000 0.966 368 T CB 1.721 70.613 68.868 0.040 0.000 1.237 368 T HN 0.189 nan 8.240 nan 0.000 0.591 369 P HA 0.580 nan 4.420 nan 0.000 0.277 369 P C 0.665 177.999 177.300 0.057 0.000 1.271 369 P CA 0.535 63.668 63.100 0.054 0.000 0.795 369 P CB 0.200 31.928 31.700 0.047 0.000 1.101 370 A N -1.023 121.842 122.820 0.076 0.000 3.275 370 A HA -0.353 3.967 4.320 -0.000 0.000 0.241 370 A C 1.650 179.276 177.584 0.069 0.000 0.607 370 A CA 2.168 54.251 52.037 0.078 0.000 1.181 370 A CB -2.856 16.180 19.000 0.059 0.000 1.304 370 A HN 0.552 nan 8.150 nan 0.000 0.682 371 K N -0.850 119.585 120.400 0.059 0.000 2.418 371 K HA 0.440 4.760 4.320 -0.000 0.000 0.195 371 K C 1.543 178.176 176.600 0.055 0.000 1.035 371 K CA 0.981 57.300 56.287 0.053 0.000 1.003 371 K CB -0.089 32.439 32.500 0.047 0.000 0.793 371 K HN 0.659 nan 8.250 nan 0.000 0.494 372 L N -0.211 121.050 121.223 0.064 0.000 2.575 372 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 372 L C 0.059 176.970 176.870 0.068 0.000 1.075 372 L CA -0.113 54.765 54.840 0.063 0.000 0.867 372 L CB 0.998 43.098 42.059 0.068 0.000 1.097 372 L HN -0.152 nan 8.230 nan 0.000 0.485 373 V N 0.857 120.822 119.914 0.086 0.000 2.546 373 V HA 0.086 4.206 4.120 -0.000 0.000 0.284 373 V C 0.869 177.010 176.094 0.079 0.000 1.050 373 V CA -0.088 62.269 62.300 0.095 0.000 0.981 373 V CB 1.550 33.453 31.823 0.134 0.000 0.990 373 V HN 0.216 nan 8.190 nan 0.000 0.474 374 N N 2.033 120.768 118.700 0.058 0.000 2.251 374 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 374 N C 1.557 177.102 175.510 0.058 0.000 1.019 374 N CA 1.380 54.457 53.050 0.045 0.000 0.862 374 N CB 0.056 38.553 38.487 0.017 0.000 0.992 374 N HN 0.920 nan 8.380 nan 0.000 0.429 375 S N -0.972 114.754 115.700 0.043 0.000 3.358 375 S HA -0.260 4.210 4.470 -0.000 0.000 0.309 375 S C 1.057 175.673 174.600 0.027 0.000 1.247 375 S CA 1.636 59.856 58.200 0.033 0.000 0.961 375 S CB -0.978 62.337 63.200 0.193 0.000 1.074 375 S HN 0.438 nan 8.310 nan 0.000 0.625 376 R N 0.412 120.917 120.500 0.008 0.000 2.320 376 R HA 0.349 4.689 4.340 -0.000 0.000 0.193 376 R C -1.007 175.278 176.300 -0.024 0.000 0.885 376 R CA 0.511 56.618 56.100 0.011 0.000 1.085 376 R CB -0.750 29.569 30.300 0.031 0.000 1.253 376 R HN 0.383 nan 8.270 nan 0.000 0.636 377 P HA -0.236 nan 4.420 nan 0.000 0.212 377 P C 1.250 178.480 177.300 -0.118 0.000 1.174 377 P CA 1.326 64.382 63.100 -0.072 0.000 0.934 377 P CB -0.005 31.647 31.700 -0.080 0.000 0.791 378 L N -0.408 120.705 121.223 -0.183 0.000 2.012 378 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 378 L C 2.474 179.218 176.870 -0.210 0.000 1.073 378 L CA 1.990 56.656 54.840 -0.290 0.000 0.748 378 L CB -0.926 40.865 42.059 -0.448 0.000 0.891 378 L HN -0.114 nan 8.230 nan 0.000 0.431 379 E N 0.025 120.132 120.200 -0.155 0.000 2.114 379 E HA -0.285 4.065 4.350 -0.000 0.000 0.199 379 E C 1.913 178.509 176.600 -0.006 0.000 1.008 379 E CA 1.959 58.322 56.400 -0.061 0.000 0.810 379 E CB -0.308 29.388 29.700 -0.007 0.000 0.739 379 E HN 0.590 nan 8.360 nan 0.000 0.456 380 A N 0.468 123.278 122.820 -0.017 0.000 1.898 380 A HA 0.185 4.505 4.320 -0.000 0.000 0.214 380 A C 2.438 180.026 177.584 0.006 0.000 1.183 380 A CA 1.572 53.613 52.037 0.007 0.000 0.622 380 A CB -0.894 18.107 19.000 0.002 0.000 0.824 380 A HN 0.409 nan 8.150 nan 0.000 0.444 381 A N -0.740 122.061 122.820 -0.032 0.000 1.933 381 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 381 A C 2.016 179.614 177.584 0.022 0.000 1.175 381 A CA 1.650 53.671 52.037 -0.027 0.000 0.628 381 A CB -0.460 18.487 19.000 -0.089 0.000 0.814 381 A HN 0.396 nan 8.150 nan 0.000 0.444 382 L N -0.767 120.468 121.223 0.020 0.000 2.156 382 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 382 L C 2.461 179.482 176.870 0.252 0.000 1.095 382 L CA 1.459 56.382 54.840 0.139 0.000 0.770 382 L CB -0.636 41.488 42.059 0.108 0.000 0.914 382 L HN 0.368 nan 8.230 nan 0.000 0.439 383 R N -0.495 120.096 120.500 0.151 0.000 2.070 383 R HA -0.231 4.109 4.340 -0.000 0.000 0.233 383 R C 2.196 178.579 176.300 0.138 0.000 1.137 383 R CA 1.695 57.882 56.100 0.144 0.000 0.945 383 R CB -0.119 30.235 30.300 0.089 0.000 0.845 383 R HN 0.311 nan 8.270 nan 0.000 0.430 384 E N -0.008 120.251 120.200 0.099 0.000 2.097 384 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 384 E C 1.604 178.241 176.600 0.060 0.000 1.000 384 E CA 1.715 58.154 56.400 0.065 0.000 0.804 384 E CB -0.392 29.337 29.700 0.048 0.000 0.740 384 E HN 0.334 nan 8.360 nan 0.000 0.454 385 F N -0.209 119.715 119.950 -0.044 0.000 2.014 385 F HA -0.114 4.413 4.527 -0.000 0.000 0.295 385 F C 1.867 177.559 175.800 -0.180 0.000 1.145 385 F CA 1.808 59.717 58.000 -0.153 0.000 1.178 385 F CB -0.722 38.118 39.000 -0.266 0.000 0.972 385 F HN 0.065 nan 8.300 nan 0.000 0.476 386 F N -0.227 119.694 119.950 -0.049 0.000 2.250 386 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 386 F C 2.857 178.532 175.800 -0.208 0.000 1.077 386 F CA 1.618 59.495 58.000 -0.205 0.000 1.348 386 F CB -0.784 38.160 39.000 -0.094 0.000 1.040 386 F HN 0.085 nan 8.300 nan 0.000 0.509 387 S N -0.963 114.754 115.700 0.028 0.000 2.404 387 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 387 S C 1.886 176.449 174.600 -0.061 0.000 1.040 387 S CA 0.697 58.901 58.200 0.006 0.000 0.957 387 S CB 0.108 63.330 63.200 0.037 0.000 0.826 387 S HN 0.169 nan 8.310 nan 0.000 0.491 388 R N 0.900 121.332 120.500 -0.114 0.000 2.394 388 R HA 0.329 4.669 4.340 -0.000 0.000 0.220 388 R C 0.437 176.641 176.300 -0.159 0.000 0.887 388 R CA 0.138 56.175 56.100 -0.105 0.000 1.034 388 R CB 0.548 30.815 30.300 -0.055 0.000 1.179 388 R HN 0.307 nan 8.270 nan 0.000 0.561 389 S N 0.242 115.763 115.700 -0.298 0.000 2.548 389 S HA 0.009 4.479 4.470 -0.000 0.000 0.277 389 S C 0.906 175.353 174.600 -0.254 0.000 1.315 389 S CA -0.368 57.650 58.200 -0.304 0.000 1.050 389 S CB 1.227 64.124 63.200 -0.506 0.000 0.918 389 S HN 0.278 nan 8.310 nan 0.000 0.497 390 Q N 1.817 121.530 119.800 -0.147 0.000 2.248 390 Q HA -0.122 4.218 4.340 -0.000 0.000 0.208 390 Q C 1.164 177.108 176.000 -0.093 0.000 0.984 390 Q CA 1.155 56.902 55.803 -0.094 0.000 0.875 390 Q CB -0.333 28.372 28.738 -0.057 0.000 0.910 390 Q HN 0.678 nan 8.270 nan 0.000 0.433 391 L N -0.178 120.963 121.223 -0.136 0.000 2.599 391 L HA 0.053 4.393 4.340 -0.000 0.000 0.230 391 L C 0.605 177.378 176.870 -0.162 0.000 1.141 391 L CA 0.728 55.507 54.840 -0.102 0.000 0.877 391 L CB 0.351 42.379 42.059 -0.051 0.000 1.009 391 L HN -0.124 nan 8.230 nan 0.000 0.447 392 S N 0.538 116.087 115.700 -0.252 0.000 2.488 392 S HA 0.308 4.778 4.470 -0.000 0.000 0.310 392 S C 0.081 174.644 174.600 -0.061 0.000 1.093 392 S CA -0.814 57.252 58.200 -0.223 0.000 1.129 392 S CB -0.015 62.951 63.200 -0.390 0.000 0.989 392 S HN 0.219 nan 8.310 nan 0.000 0.479 393 Q N 2.994 122.804 119.800 0.017 0.000 2.317 393 Q HA 0.231 4.571 4.340 -0.000 0.000 0.229 393 Q C 0.538 176.637 176.000 0.164 0.000 0.984 393 Q CA -0.515 55.365 55.803 0.129 0.000 0.911 393 Q CB 0.333 29.241 28.738 0.284 0.000 1.217 393 Q HN 0.613 nan 8.270 nan 0.000 0.501 394 F N 1.036 121.019 119.950 0.055 0.000 1.987 394 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 394 F C 0.610 176.423 175.800 0.021 0.000 1.410 394 F CA 1.293 59.315 58.000 0.037 0.000 1.170 394 F CB 0.258 39.283 39.000 0.042 0.000 0.926 394 F HN 0.398 nan 8.300 nan 0.000 0.514 395 K N 0.902 121.309 120.400 0.011 0.000 2.579 395 K HA 0.019 4.339 4.320 -0.000 0.000 0.283 395 K C -1.901 174.758 176.600 0.098 0.000 1.069 395 K CA -0.494 55.769 56.287 -0.041 0.000 0.977 395 K CB 0.714 33.048 32.500 -0.276 0.000 1.334 395 K HN 0.328 nan 8.250 nan 0.000 0.462 396 D N 3.483 124.091 120.400 0.346 0.000 2.356 396 D HA -0.011 4.629 4.640 -0.000 0.000 0.272 396 D C 0.257 176.557 176.300 0.000 0.000 1.337 396 D CA 0.716 54.778 54.000 0.104 0.000 0.970 396 D CB 0.717 41.518 40.800 0.002 0.000 1.092 396 D HN 0.560 nan 8.370 nan 0.000 0.516 397 E N 1.274 121.437 120.200 -0.061 0.000 2.526 397 E HA 0.016 4.366 4.350 -0.000 0.000 0.208 397 E C 1.324 177.862 176.600 -0.103 0.000 0.997 397 E CA -0.024 56.306 56.400 -0.116 0.000 0.961 397 E CB 0.570 30.178 29.700 -0.153 0.000 1.030 397 E HN 0.373 nan 8.360 nan 0.000 0.483 398 T N 1.446 115.937 114.554 -0.104 0.000 2.597 398 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 398 T C 0.910 175.586 174.700 -0.041 0.000 1.053 398 T CA 1.793 63.835 62.100 -0.096 0.000 1.165 398 T CB -0.273 68.495 68.868 -0.166 0.000 0.863 398 T HN 0.386 nan 8.240 nan 0.000 0.427 399 N N 0.102 118.775 118.700 -0.044 0.000 2.509 399 N HA 0.221 4.961 4.740 -0.000 0.000 0.280 399 N C -2.861 172.621 175.510 -0.047 0.000 1.306 399 N CA -1.953 51.085 53.050 -0.020 0.000 0.782 399 N CB 2.198 40.691 38.487 0.010 0.000 1.493 399 N HN -0.125 nan 8.380 nan 0.000 0.498 400 P HA -0.123 nan 4.420 nan 0.000 0.219 400 P C 1.655 178.928 177.300 -0.045 0.000 1.146 400 P CA 0.655 63.718 63.100 -0.061 0.000 0.808 400 P CB 0.181 31.866 31.700 -0.025 0.000 0.779 401 L N 0.016 121.225 121.223 -0.023 0.000 2.109 401 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 401 L C 2.139 178.995 176.870 -0.024 0.000 1.086 401 L CA 1.963 56.792 54.840 -0.018 0.000 0.760 401 L CB -1.436 40.620 42.059 -0.004 0.000 0.910 401 L HN -0.131 nan 8.230 nan 0.000 0.437 402 S N -0.128 115.553 115.700 -0.031 0.000 2.359 402 S HA -0.295 4.175 4.470 -0.000 0.000 0.222 402 S C 2.108 176.704 174.600 -0.006 0.000 1.038 402 S CA 1.828 60.008 58.200 -0.033 0.000 1.051 402 S CB -1.353 61.814 63.200 -0.054 0.000 0.944 402 S HN 0.774 nan 8.310 nan 0.000 0.433 403 S N 2.451 118.135 115.700 -0.026 0.000 2.368 403 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 403 S C 1.872 176.470 174.600 -0.003 0.000 1.044 403 S CA 1.453 59.639 58.200 -0.023 0.000 1.062 403 S CB -0.838 62.297 63.200 -0.109 0.000 0.931 403 S HN 0.235 nan 8.310 nan 0.000 0.440 404 L N 2.226 123.432 121.223 -0.028 0.000 1.978 404 L HA -0.082 4.258 4.340 -0.000 0.000 0.218 404 L C 2.817 179.690 176.870 0.005 0.000 1.075 404 L CA 2.385 57.211 54.840 -0.024 0.000 0.767 404 L CB -1.514 40.526 42.059 -0.033 0.000 0.890 404 L HN 0.469 nan 8.230 nan 0.000 0.434 405 R N -1.743 118.763 120.500 0.010 0.000 2.113 405 R HA -0.278 4.062 4.340 -0.000 0.000 0.244 405 R C 2.447 178.785 176.300 0.064 0.000 1.142 405 R CA 1.836 57.947 56.100 0.019 0.000 0.953 405 R CB -0.495 29.803 30.300 -0.004 0.000 0.860 405 R HN 0.513 nan 8.270 nan 0.000 0.438 406 H N 0.509 119.559 119.070 -0.034 0.000 2.457 406 H HA -0.089 4.467 4.556 -0.000 0.000 0.297 406 H C 1.554 176.870 175.328 -0.021 0.000 1.092 406 H CA 1.724 57.755 56.048 -0.027 0.000 1.309 406 H CB 0.230 29.970 29.762 -0.038 0.000 1.382 406 H HN 0.132 nan 8.280 nan 0.000 0.535 407 K N 0.059 120.520 120.400 0.101 0.000 2.076 407 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 407 K C 1.691 178.315 176.600 0.040 0.000 1.051 407 K CA 0.919 57.221 56.287 0.025 0.000 0.949 407 K CB 0.174 32.658 32.500 -0.026 0.000 0.726 407 K HN 0.280 nan 8.250 nan 0.000 0.443 408 R N 1.161 121.682 120.500 0.035 0.000 2.788 408 R HA 0.161 4.501 4.340 -0.000 0.000 0.264 408 R C -0.055 176.269 176.300 0.039 0.000 1.267 408 R CA -0.241 55.875 56.100 0.026 0.000 1.213 408 R CB -0.191 30.114 30.300 0.009 0.000 1.256 408 R HN -0.118 nan 8.270 nan 0.000 0.556 409 R N 1.541 122.081 120.500 0.067 0.000 2.308 409 R HA 0.301 4.641 4.340 -0.000 0.000 0.305 409 R C -0.792 175.541 176.300 0.055 0.000 1.053 409 R CA -0.131 56.007 56.100 0.064 0.000 0.957 409 R CB 0.513 30.873 30.300 0.099 0.000 1.022 409 R HN 0.144 nan 8.270 nan 0.000 0.461 410 I N 2.763 123.358 120.570 0.041 0.000 2.382 410 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 410 I C -0.199 175.940 176.117 0.037 0.000 1.002 410 I CA -0.211 61.111 61.300 0.037 0.000 1.135 410 I CB 1.935 39.951 38.000 0.026 0.000 1.288 410 I HN 0.564 nan 8.210 nan 0.000 0.448 411 S N 3.701 119.425 115.700 0.040 0.000 2.690 411 S HA 0.769 5.239 4.470 -0.000 0.000 0.291 411 S C 0.681 175.304 174.600 0.038 0.000 1.138 411 S CA 0.009 58.230 58.200 0.035 0.000 1.013 411 S CB 1.754 64.973 63.200 0.031 0.000 1.053 411 S HN 0.681 nan 8.310 nan 0.000 0.539 412 A N 2.110 124.949 122.820 0.033 0.000 2.259 412 A HA 0.452 4.772 4.320 -0.000 0.000 0.213 412 A C 0.234 177.835 177.584 0.028 0.000 1.209 412 A CA -0.051 52.009 52.037 0.038 0.000 0.910 412 A CB -0.262 18.759 19.000 0.035 0.000 0.946 412 A HN 0.626 nan 8.150 nan 0.000 0.497 413 L N -2.227 119.005 121.223 0.015 0.000 2.635 413 L HA 0.868 5.208 4.340 -0.000 0.000 0.250 413 L C 1.180 178.050 176.870 -0.001 0.000 1.117 413 L CA 0.075 54.917 54.840 0.004 0.000 0.834 413 L CB -0.162 41.895 42.059 -0.003 0.000 1.544 413 L HN 0.520 nan 8.230 nan 0.000 0.511 414 G N -0.877 107.916 108.800 -0.011 0.000 2.418 414 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.206 414 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.206 414 G C -3.024 171.862 174.900 -0.022 0.000 1.202 414 G CA -0.427 44.662 45.100 -0.018 0.000 1.061 414 G HN 0.599 nan 8.290 nan 0.000 0.563 415 P HA 0.525 nan 4.420 nan 0.000 0.287 415 P C 1.125 178.407 177.300 -0.030 0.000 1.270 415 P CA 1.483 64.571 63.100 -0.020 0.000 0.844 415 P CB 1.187 32.885 31.700 -0.004 0.000 1.068 416 G N 2.346 111.125 108.800 -0.036 0.000 4.430 416 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.332 416 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.332 416 G C 0.648 175.518 174.900 -0.051 0.000 1.338 416 G CA 0.203 45.274 45.100 -0.050 0.000 1.024 416 G HN 0.892 nan 8.290 nan 0.000 0.750 417 G N 0.533 109.289 108.800 -0.073 0.000 2.272 417 G HA2 0.577 4.537 3.960 -0.000 0.000 0.274 417 G HA3 0.577 4.537 3.960 -0.000 0.000 0.274 417 G C -0.014 174.878 174.900 -0.014 0.000 1.136 417 G CA 1.074 46.160 45.100 -0.023 0.000 1.098 417 G HN 2.038 nan 8.290 nan 0.000 0.425 418 L N 2.749 123.961 121.223 -0.018 0.000 2.470 418 L HA 0.710 5.050 4.340 -0.000 0.000 0.253 418 L C 0.549 177.402 176.870 -0.028 0.000 1.163 418 L CA -0.921 53.902 54.840 -0.029 0.000 0.932 418 L CB 0.314 42.345 42.059 -0.046 0.000 1.213 418 L HN 0.486 nan 8.230 nan 0.000 0.485 419 T N 2.025 116.572 114.554 -0.012 0.000 2.728 419 T HA 0.654 5.004 4.350 -0.000 0.000 0.296 419 T C 0.821 175.512 174.700 -0.015 0.000 0.940 419 T CA 0.265 62.358 62.100 -0.012 0.000 1.013 419 T CB 0.721 69.590 68.868 0.003 0.000 0.912 419 T HN 1.170 nan 8.240 nan 0.000 0.484 420 R N 1.510 121.998 120.500 -0.020 0.000 2.539 420 R HA 0.619 4.959 4.340 -0.000 0.000 0.275 420 R C 0.561 176.852 176.300 -0.016 0.000 1.077 420 R CA -0.170 55.918 56.100 -0.020 0.000 1.097 420 R CB -0.908 29.379 30.300 -0.022 0.000 1.018 420 R HN 0.910 nan 8.270 nan 0.000 0.483 421 E N 0.330 120.520 120.200 -0.016 0.000 2.053 421 E HA 0.452 4.802 4.350 -0.000 0.000 0.297 421 E C 0.860 177.450 176.600 -0.016 0.000 1.173 421 E CA 0.297 56.686 56.400 -0.018 0.000 1.219 421 E CB -0.857 28.832 29.700 -0.018 0.000 1.103 421 E HN 1.714 nan 8.360 nan 0.000 0.476 422 R N -1.561 118.930 120.500 -0.014 0.000 2.618 422 R HA 0.596 4.936 4.340 -0.000 0.000 0.057 422 R C -0.014 176.285 176.300 -0.003 0.000 0.513 422 R CA 0.611 56.706 56.100 -0.008 0.000 0.756 422 R CB -1.304 28.991 30.300 -0.008 0.000 0.845 422 R HN 1.913 nan 8.270 nan 0.000 0.605 423 A N -0.700 122.119 122.820 -0.003 0.000 2.602 423 A HA 1.007 5.327 4.320 -0.000 0.000 0.290 423 A C 0.753 178.347 177.584 0.016 0.000 1.114 423 A CA -0.230 51.812 52.037 0.009 0.000 0.683 423 A CB 0.635 19.635 19.000 -0.000 0.000 1.281 423 A HN 2.161 nan 8.150 nan 0.000 0.416 424 G N -1.684 107.141 108.800 0.042 0.000 2.797 424 G HA2 0.102 4.062 3.960 -0.000 0.000 0.686 424 G HA3 0.102 4.062 3.960 -0.000 0.000 0.686 424 G C -0.147 174.821 174.900 0.114 0.000 1.452 424 G CA 0.631 45.770 45.100 0.066 0.000 0.986 424 G HN 2.012 nan 8.290 nan 0.000 0.595 425 F N 0.051 120.001 119.950 -0.000 0.000 2.300 425 F HA 0.272 4.799 4.527 0.000 0.000 0.307 425 F C 2.354 178.154 175.800 0.000 0.000 0.847 425 F CA 1.459 59.460 58.000 0.001 0.000 1.076 425 F CB -0.296 38.705 39.000 0.001 0.000 1.075 425 F HN 0.684 nan 8.300 nan 0.000 0.702 426 D N 0.040 120.624 120.400 0.306 0.000 2.277 426 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 426 D C 1.737 178.091 176.300 0.091 0.000 0.962 426 D CA 1.395 55.492 54.000 0.163 0.000 0.865 426 D CB -0.556 40.287 40.800 0.071 0.000 0.939 426 D HN 0.141 nan 8.370 nan 0.000 0.510 427 V N 0.062 120.027 119.914 0.085 0.000 2.970 427 V HA -0.059 4.061 4.120 -0.000 0.000 0.260 427 V C 2.414 178.542 176.094 0.056 0.000 1.100 427 V CA 1.247 63.580 62.300 0.054 0.000 1.122 427 V CB -0.406 31.443 31.823 0.043 0.000 0.721 427 V HN 0.427 nan 8.190 nan 0.000 0.483 428 R N -0.533 119.997 120.500 0.050 0.000 2.128 428 R HA 0.084 4.424 4.340 -0.000 0.000 0.211 428 R C 0.506 176.823 176.300 0.028 0.000 1.067 428 R CA 0.070 56.177 56.100 0.011 0.000 1.010 428 R CB -0.023 30.223 30.300 -0.090 0.000 0.922 428 R HN 0.416 nan 8.270 nan 0.000 0.457 429 D N 0.711 121.149 120.400 0.063 0.000 2.478 429 D HA -0.051 4.589 4.640 -0.000 0.000 0.234 429 D C -0.678 175.586 176.300 -0.060 0.000 1.154 429 D CA 0.352 54.381 54.000 0.048 0.000 0.874 429 D CB 1.042 41.903 40.800 0.103 0.000 1.198 429 D HN -0.208 nan 8.370 nan 0.000 0.455 430 V N 3.939 123.778 119.914 -0.125 0.000 2.439 430 V HA 0.040 4.160 4.120 -0.000 0.000 0.271 430 V C -0.519 175.375 176.094 -0.332 0.000 1.040 430 V CA -0.155 61.910 62.300 -0.392 0.000 1.002 430 V CB 0.290 31.983 31.823 -0.217 0.000 1.000 430 V HN 0.500 nan 8.190 nan 0.000 0.477 431 H N 7.031 125.654 119.070 -0.745 0.000 2.646 431 H HA 0.324 4.880 4.556 -0.000 0.000 0.325 431 H C 0.613 175.925 175.328 -0.027 0.000 1.075 431 H CA -0.285 55.656 56.048 -0.177 0.000 1.421 431 H CB 0.532 30.364 29.762 0.118 0.000 1.461 431 H HN 0.817 nan 8.280 nan 0.000 0.525 432 R N 3.915 124.260 120.500 -0.258 0.000 2.486 432 R HA -0.047 4.293 4.340 -0.000 0.000 0.303 432 R C -0.203 175.862 176.300 -0.391 0.000 0.958 432 R CA 1.531 57.478 56.100 -0.255 0.000 1.077 432 R CB -0.291 29.857 30.300 -0.253 0.000 0.921 432 R HN 1.003 nan 8.270 nan 0.000 0.406 433 T N 2.135 116.637 114.554 -0.086 0.000 5.303 433 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 433 T C 0.518 175.290 174.700 0.121 0.000 2.219 433 T CA 0.687 62.754 62.100 -0.054 0.000 3.807 433 T CB -1.200 67.493 68.868 -0.291 0.000 0.204 433 T HN 0.880 nan 8.240 nan 0.000 0.663 434 H N -0.125 118.960 119.070 0.025 0.000 2.462 434 H HA 0.286 4.842 4.556 -0.000 0.000 0.292 434 H C 0.625 175.981 175.328 0.048 0.000 1.049 434 H CA 1.019 57.096 56.048 0.049 0.000 1.334 434 H CB -0.215 29.579 29.762 0.053 0.000 1.404 434 H HN 0.596 nan 8.280 nan 0.000 0.544 435 Y N 1.458 121.801 120.300 0.071 0.000 2.831 435 Y HA -0.026 4.524 4.550 0.000 0.000 0.378 435 Y C 1.555 177.452 175.900 -0.005 0.000 1.332 435 Y CA 0.970 59.071 58.100 0.001 0.000 1.693 435 Y CB -0.430 38.033 38.460 0.005 0.000 1.191 435 Y HN 0.496 nan 8.280 nan 0.000 0.516 436 G N 4.368 112.987 108.800 -0.302 0.000 2.284 436 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.247 436 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.247 436 G C 1.327 176.185 174.900 -0.070 0.000 1.012 436 G CA 0.695 45.668 45.100 -0.211 0.000 0.618 436 G HN 0.620 nan 8.290 nan 0.000 0.521 437 R N -0.571 119.918 120.500 -0.018 0.000 2.123 437 R HA 0.563 4.903 4.340 -0.000 0.000 0.209 437 R C 0.844 177.130 176.300 -0.024 0.000 1.078 437 R CA 0.832 56.926 56.100 -0.009 0.000 1.028 437 R CB 0.485 30.779 30.300 -0.009 0.000 0.939 437 R HN 0.438 nan 8.270 nan 0.000 0.463 438 I N -0.453 120.104 120.570 -0.023 0.000 2.686 438 I HA 0.165 4.335 4.170 -0.000 0.000 0.295 438 I C -0.722 175.438 176.117 0.073 0.000 1.114 438 I CA -0.997 60.311 61.300 0.013 0.000 1.038 438 I CB 2.613 40.588 38.000 -0.041 0.000 1.238 438 I HN 0.068 nan 8.210 nan 0.000 0.420 439 C N 7.726 127.077 119.300 0.084 0.000 2.648 439 C HA 0.244 4.704 4.460 -0.000 0.000 0.419 439 C C -0.928 174.146 174.990 0.141 0.000 1.352 439 C CA -0.972 58.110 59.018 0.107 0.000 1.816 439 C CB 0.154 27.978 27.740 0.139 0.000 2.598 439 C HN 0.587 nan 8.230 nan 0.000 0.598 440 P HA 0.075 nan 4.420 nan 0.000 0.249 440 P C 0.181 177.577 177.300 0.160 0.000 1.229 440 P CA 0.712 63.885 63.100 0.121 0.000 0.788 440 P CB 0.063 31.813 31.700 0.083 0.000 1.072 441 V N -0.581 119.459 119.914 0.209 0.000 3.221 441 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 441 V C 0.880 177.044 176.094 0.117 0.000 1.263 441 V CA -0.677 61.720 62.300 0.162 0.000 1.048 441 V CB 0.670 32.599 31.823 0.177 0.000 1.203 441 V HN 0.101 nan 8.190 nan 0.000 0.476 442 E N -0.309 119.937 120.200 0.078 0.000 2.868 442 E HA -0.217 4.133 4.350 -0.000 0.000 0.278 442 E C -0.011 176.617 176.600 0.046 0.000 1.009 442 E CA 0.986 57.418 56.400 0.054 0.000 0.856 442 E CB -1.510 28.226 29.700 0.060 0.000 1.428 442 E HN 0.955 nan 8.360 nan 0.000 0.423 443 T N -0.117 114.464 114.554 0.045 0.000 2.902 443 T HA 0.610 4.960 4.350 -0.000 0.000 0.280 443 T C -2.347 172.363 174.700 0.017 0.000 0.992 443 T CA -1.369 60.750 62.100 0.032 0.000 1.015 443 T CB 1.091 69.979 68.868 0.035 0.000 1.044 443 T HN 0.172 nan 8.240 nan 0.000 0.520 444 P HA 0.239 nan 4.420 nan 0.000 0.272 444 P C 0.296 177.594 177.300 -0.003 0.000 1.230 444 P CA -0.123 62.977 63.100 0.000 0.000 0.788 444 P CB 0.964 32.659 31.700 -0.007 0.000 0.949 445 E N 1.656 121.854 120.200 -0.002 0.000 2.004 445 E HA 0.055 4.404 4.350 -0.000 0.000 0.192 445 E C 1.082 177.671 176.600 -0.018 0.000 0.987 445 E CA 1.230 57.627 56.400 -0.006 0.000 0.822 445 E CB -0.781 28.919 29.700 -0.001 0.000 0.779 445 E HN 0.669 nan 8.360 nan 0.000 0.458 446 G N -2.268 106.521 108.800 -0.019 0.000 2.410 446 G HA2 0.461 4.421 3.960 -0.000 0.000 0.330 446 G HA3 0.461 4.421 3.960 -0.000 0.000 0.330 446 G C 0.366 175.247 174.900 -0.032 0.000 1.142 446 G CA -0.041 45.043 45.100 -0.027 0.000 0.902 446 G HN 0.549 nan 8.290 nan 0.000 0.491 447 A N 1.420 124.215 122.820 -0.043 0.000 2.068 447 A HA -0.288 4.032 4.320 -0.000 0.000 0.231 447 A C 1.961 179.517 177.584 -0.046 0.000 0.430 447 A CA 2.154 54.165 52.037 -0.043 0.000 1.105 447 A CB -1.576 17.405 19.000 -0.030 0.000 1.437 447 A HN 0.623 nan 8.150 nan 0.000 0.706 448 N N -0.708 117.971 118.700 -0.036 0.000 2.409 448 N HA 0.112 4.852 4.740 -0.000 0.000 0.174 448 N C 0.781 176.271 175.510 -0.033 0.000 1.037 448 N CA 0.638 53.670 53.050 -0.030 0.000 0.898 448 N CB -0.093 38.382 38.487 -0.020 0.000 1.010 448 N HN 0.974 nan 8.380 nan 0.000 0.445 449 I N 1.580 122.127 120.570 -0.039 0.000 3.513 449 I HA -0.261 3.909 4.170 -0.000 0.000 0.343 449 I C 1.215 177.303 176.117 -0.049 0.000 1.230 449 I CA 1.178 62.452 61.300 -0.042 0.000 1.530 449 I CB -0.436 37.526 38.000 -0.063 0.000 1.323 449 I HN 0.491 nan 8.210 nan 0.000 0.460 450 G N 4.453 113.244 108.800 -0.016 0.000 2.279 450 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.223 450 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.223 450 G C 0.641 175.554 174.900 0.022 0.000 1.015 450 G CA 0.287 45.388 45.100 0.002 0.000 0.621 450 G HN 0.626 nan 8.290 nan 0.000 0.506 451 L N 0.837 122.063 121.223 0.006 0.000 2.354 451 L HA 0.426 4.766 4.340 -0.000 0.000 0.212 451 L C 0.914 177.796 176.870 0.020 0.000 1.091 451 L CA 0.209 55.057 54.840 0.015 0.000 0.828 451 L CB 0.024 42.083 42.059 0.000 0.000 0.973 451 L HN 0.125 nan 8.230 nan 0.000 0.461 452 I N -0.023 120.555 120.570 0.014 0.000 2.392 452 I HA 0.382 4.552 4.170 -0.000 0.000 0.295 452 I C 0.153 176.285 176.117 0.026 0.000 0.985 452 I CA 0.257 61.566 61.300 0.015 0.000 1.221 452 I CB 1.380 39.380 38.000 -0.000 0.000 1.366 452 I HN -0.044 nan 8.210 nan 0.000 0.467 453 T N 3.522 118.096 114.554 0.032 0.000 2.802 453 T HA 0.445 4.795 4.350 -0.000 0.000 0.311 453 T C -1.085 173.638 174.700 0.038 0.000 1.405 453 T CA -0.344 61.783 62.100 0.044 0.000 1.016 453 T CB 1.803 70.713 68.868 0.070 0.000 1.352 453 T HN 0.520 nan 8.240 nan 0.000 0.498 454 S N 1.095 116.821 115.700 0.043 0.000 2.593 454 S HA 0.718 5.188 4.470 -0.000 0.000 0.297 454 S C -0.681 173.940 174.600 0.036 0.000 1.112 454 S CA -0.701 57.521 58.200 0.036 0.000 1.043 454 S CB 0.955 64.176 63.200 0.035 0.000 1.054 454 S HN 0.761 nan 8.310 nan 0.000 0.516 455 L N 4.032 125.270 121.223 0.026 0.000 2.410 455 L HA 0.557 4.897 4.340 -0.000 0.000 0.273 455 L C 0.516 177.400 176.870 0.022 0.000 1.152 455 L CA 0.183 55.034 54.840 0.018 0.000 0.855 455 L CB 0.296 42.361 42.059 0.010 0.000 1.129 455 L HN 0.756 nan 8.230 nan 0.000 0.463 456 A N 4.358 127.190 122.820 0.019 0.000 2.507 456 A HA 0.429 4.749 4.320 -0.000 0.000 0.235 456 A C 1.361 178.959 177.584 0.025 0.000 1.070 456 A CA 0.483 52.532 52.037 0.020 0.000 0.768 456 A CB -0.102 18.890 19.000 -0.013 0.000 1.011 456 A HN 1.186 nan 8.150 nan 0.000 0.502 457 A N 0.676 123.518 122.820 0.035 0.000 1.845 457 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 457 A C 1.781 179.338 177.584 -0.046 0.000 1.195 457 A CA 1.937 53.968 52.037 -0.010 0.000 0.616 457 A CB -0.878 18.118 19.000 -0.006 0.000 0.832 457 A HN 0.903 nan 8.150 nan 0.000 0.443 458 Y N -0.182 120.120 120.300 0.002 0.000 2.546 458 Y HA 0.399 4.949 4.550 -0.000 0.000 0.287 458 Y C 1.631 177.585 175.900 0.089 0.000 1.158 458 Y CA -0.125 57.995 58.100 0.033 0.000 1.307 458 Y CB -0.138 38.315 38.460 -0.011 0.000 1.036 458 Y HN 0.381 nan 8.280 nan 0.000 0.532 459 A N 1.015 123.935 122.820 0.167 0.000 2.386 459 A HA 0.500 4.820 4.320 -0.000 0.000 0.246 459 A C 0.179 177.811 177.584 0.079 0.000 1.089 459 A CA -0.086 52.027 52.037 0.128 0.000 0.790 459 A CB 0.399 19.434 19.000 0.058 0.000 1.042 459 A HN 0.362 nan 8.150 nan 0.000 0.497 460 R N -0.097 120.431 120.500 0.046 0.000 2.594 460 R HA 0.453 4.793 4.340 -0.000 0.000 0.265 460 R C -1.918 174.368 176.300 -0.024 0.000 1.070 460 R CA -0.579 55.498 56.100 -0.037 0.000 0.909 460 R CB 2.087 32.283 30.300 -0.174 0.000 1.243 460 R HN 0.566 nan 8.270 nan 0.000 0.455 461 V N 3.451 123.348 119.914 -0.028 0.000 2.509 461 V HA 0.186 4.306 4.120 -0.000 0.000 0.284 461 V C 0.342 176.427 176.094 -0.014 0.000 1.047 461 V CA -0.447 61.848 62.300 -0.008 0.000 0.952 461 V CB 1.315 33.130 31.823 -0.013 0.000 0.988 461 V HN 0.751 nan 8.190 nan 0.000 0.469 462 D N 3.837 124.250 120.400 0.022 0.000 2.326 462 D HA 0.457 5.097 4.640 -0.000 0.000 0.251 462 D C 1.116 177.436 176.300 0.033 0.000 1.023 462 D CA 0.088 54.107 54.000 0.033 0.000 0.966 462 D CB 2.129 42.980 40.800 0.084 0.000 1.156 462 D HN 0.507 nan 8.370 nan 0.000 0.494 463 A N 1.316 124.156 122.820 0.033 0.000 1.886 463 A HA -0.296 4.024 4.320 -0.000 0.000 0.240 463 A C 1.844 179.442 177.584 0.022 0.000 1.875 463 A CA 2.546 54.601 52.037 0.031 0.000 0.760 463 A CB -1.069 17.958 19.000 0.045 0.000 0.849 463 A HN 0.528 nan 8.150 nan 0.000 0.505 464 L N -0.851 120.406 121.223 0.057 0.000 2.629 464 L HA 0.423 4.763 4.340 -0.000 0.000 0.230 464 L C 1.282 177.997 176.870 -0.258 0.000 1.151 464 L CA 1.296 56.128 54.840 -0.013 0.000 0.924 464 L CB -0.510 41.620 42.059 0.120 0.000 1.137 464 L HN 1.106 nan 8.230 nan 0.000 0.457 465 G N -0.799 107.897 108.800 -0.173 0.000 2.212 465 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.255 465 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.255 465 G C -0.034 174.614 174.900 -0.419 0.000 1.062 465 G CA 0.138 45.084 45.100 -0.256 0.000 0.815 465 G HN 0.241 nan 8.290 nan 0.000 0.497 466 F N -0.359 119.578 119.950 -0.021 0.000 2.422 466 F HA 0.685 5.212 4.527 -0.000 0.000 0.333 466 F C 1.110 176.904 175.800 -0.011 0.000 1.095 466 F CA -1.383 56.606 58.000 -0.019 0.000 1.038 466 F CB 1.016 40.005 39.000 -0.018 0.000 1.156 466 F HN 0.009 nan 8.300 nan 0.000 0.483 467 I N 3.123 123.784 120.570 0.152 0.000 2.529 467 I HA 0.317 4.487 4.170 -0.000 0.000 0.284 467 I C -0.023 176.163 176.117 0.114 0.000 1.082 467 I CA -0.160 61.195 61.300 0.091 0.000 1.406 467 I CB 0.498 38.522 38.000 0.040 0.000 1.405 467 I HN 0.514 nan 8.210 nan 0.000 0.548 468 R N 3.846 124.411 120.500 0.109 0.000 2.637 468 R HA 0.634 4.974 4.340 -0.000 0.000 0.291 468 R C -0.870 175.538 176.300 0.181 0.000 0.963 468 R CA -0.785 55.402 56.100 0.145 0.000 0.901 468 R CB 2.152 32.551 30.300 0.166 0.000 1.160 468 R HN 0.563 nan 8.270 nan 0.000 0.457 469 T N 2.669 117.284 114.554 0.102 0.000 2.918 469 T HA 0.421 4.771 4.350 -0.000 0.000 0.286 469 T C -2.524 171.969 174.700 -0.345 0.000 1.026 469 T CA -1.931 60.118 62.100 -0.086 0.000 1.031 469 T CB 1.825 70.524 68.868 -0.281 0.000 1.046 469 T HN 0.353 nan 8.240 nan 0.000 0.479 470 P HA 0.382 nan 4.420 nan 0.000 0.286 470 P C -1.596 175.214 177.300 -0.818 0.000 1.269 470 P CA -0.496 62.035 63.100 -0.949 0.000 0.787 470 P CB 0.288 31.343 31.700 -1.075 0.000 0.920 471 Y N 0.965 121.033 120.300 -0.387 0.000 2.373 471 Y HA 0.427 4.977 4.550 -0.000 0.000 0.336 471 Y C 1.122 176.948 175.900 -0.122 0.000 0.979 471 Y CA -1.073 56.871 58.100 -0.259 0.000 1.080 471 Y CB 2.253 40.484 38.460 -0.383 0.000 1.190 471 Y HN 0.242 nan 8.280 nan 0.000 0.446 472 R N 2.210 122.790 120.500 0.133 0.000 2.623 472 R HA 0.210 4.550 4.340 -0.000 0.000 0.271 472 R C -0.167 176.343 176.300 0.351 0.000 1.043 472 R CA -0.313 55.879 56.100 0.154 0.000 1.083 472 R CB 0.528 30.871 30.300 0.073 0.000 0.974 472 R HN 0.720 nan 8.270 nan 0.000 0.436 473 R N 2.763 123.407 120.500 0.241 0.000 2.357 473 R HA 0.279 4.619 4.340 -0.000 0.000 0.296 473 R C -1.187 175.045 176.300 -0.115 0.000 1.052 473 R CA -0.547 55.547 56.100 -0.010 0.000 0.988 473 R CB 1.047 31.346 30.300 -0.003 0.000 1.025 473 R HN 0.427 nan 8.270 nan 0.000 0.469 474 V N 1.672 121.435 119.914 -0.252 0.000 2.326 474 V HA 0.417 4.537 4.120 -0.000 0.000 0.281 474 V C -0.250 175.750 176.094 -0.157 0.000 1.015 474 V CA -0.911 61.300 62.300 -0.148 0.000 0.823 474 V CB 1.277 33.038 31.823 -0.103 0.000 1.009 474 V HN 0.740 nan 8.190 nan 0.000 0.436 475 K N 4.605 124.943 120.400 -0.102 0.000 2.228 475 K HA 0.172 4.492 4.320 -0.000 0.000 0.284 475 K C 0.090 176.654 176.600 -0.059 0.000 1.088 475 K CA -0.160 56.080 56.287 -0.078 0.000 0.941 475 K CB 0.013 32.483 32.500 -0.051 0.000 1.158 475 K HN 0.890 nan 8.250 nan 0.000 0.438 476 N N 3.207 121.869 118.700 -0.063 0.000 2.998 476 N HA -0.264 4.476 4.740 -0.000 0.000 0.310 476 N C 0.794 176.284 175.510 -0.033 0.000 1.111 476 N CA 1.327 54.350 53.050 -0.046 0.000 0.815 476 N CB -0.587 37.878 38.487 -0.037 0.000 0.986 476 N HN 1.006 nan 8.380 nan 0.000 0.616 477 G N -1.134 107.647 108.800 -0.030 0.000 3.349 477 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.202 477 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.202 477 G C -0.166 174.723 174.900 -0.018 0.000 1.588 477 G CA -0.112 44.976 45.100 -0.020 0.000 1.198 477 G HN 0.582 nan 8.290 nan 0.000 0.588 478 V N 1.989 121.891 119.914 -0.020 0.000 2.811 478 V HA 0.496 4.616 4.120 -0.000 0.000 0.302 478 V C 0.924 177.007 176.094 -0.019 0.000 1.063 478 V CA -0.284 62.007 62.300 -0.015 0.000 1.088 478 V CB 1.607 33.422 31.823 -0.014 0.000 0.982 478 V HN 0.717 nan 8.190 nan 0.000 0.485 479 V N 3.704 123.613 119.914 -0.009 0.000 2.294 479 V HA 0.254 4.374 4.120 -0.000 0.000 0.272 479 V C 0.595 176.688 176.094 -0.001 0.000 1.027 479 V CA -0.453 61.844 62.300 -0.005 0.000 0.823 479 V CB 0.573 32.400 31.823 0.006 0.000 1.030 479 V HN 1.077 nan 8.190 nan 0.000 0.457 480 T N 2.426 116.977 114.554 -0.005 0.000 2.734 480 T HA 0.071 4.421 4.350 -0.000 0.000 0.314 480 T C 1.047 175.754 174.700 0.011 0.000 1.057 480 T CA -0.348 61.753 62.100 0.002 0.000 1.047 480 T CB 1.193 70.062 68.868 0.001 0.000 0.991 480 T HN 0.663 nan 8.240 nan 0.000 0.540 481 E N 0.454 120.662 120.200 0.013 0.000 2.478 481 E HA -0.007 4.342 4.350 -0.000 0.000 0.194 481 E C 0.513 177.125 176.600 0.019 0.000 1.045 481 E CA 0.098 56.506 56.400 0.015 0.000 0.868 481 E CB 0.243 29.952 29.700 0.015 0.000 0.885 481 E HN 0.779 nan 8.360 nan 0.000 0.505 482 E N 0.451 120.667 120.200 0.026 0.000 2.229 482 E HA 0.330 4.680 4.350 -0.000 0.000 0.283 482 E C -0.398 176.228 176.600 0.044 0.000 1.030 482 E CA -0.467 55.955 56.400 0.038 0.000 0.836 482 E CB 1.585 31.313 29.700 0.047 0.000 1.068 482 E HN -0.281 nan 8.360 nan 0.000 0.401 483 V N 3.103 123.029 119.914 0.019 0.000 2.732 483 V HA 0.464 4.584 4.120 -0.000 0.000 0.310 483 V C -0.332 175.740 176.094 -0.037 0.000 1.053 483 V CA -1.018 61.260 62.300 -0.037 0.000 0.957 483 V CB 1.799 33.541 31.823 -0.135 0.000 1.018 483 V HN 0.644 nan 8.190 nan 0.000 0.452 484 V N 2.909 122.757 119.914 -0.110 0.000 2.524 484 V HA 0.379 4.499 4.120 -0.000 0.000 0.297 484 V C -1.247 174.735 176.094 -0.188 0.000 1.035 484 V CA -0.700 61.547 62.300 -0.088 0.000 0.867 484 V CB 1.463 33.241 31.823 -0.075 0.000 1.004 484 V HN 0.741 nan 8.190 nan 0.000 0.426 485 Y N 6.035 126.301 120.300 -0.056 0.000 2.393 485 Y HA 0.592 5.142 4.550 -0.000 0.000 0.338 485 Y C 0.630 176.503 175.900 -0.045 0.000 1.029 485 Y CA -0.145 57.922 58.100 -0.055 0.000 1.239 485 Y CB 0.942 39.387 38.460 -0.026 0.000 1.170 485 Y HN 0.668 nan 8.280 nan 0.000 0.515 486 M N 0.488 120.143 119.600 0.092 0.000 2.658 486 M HA 0.646 5.126 4.480 -0.000 0.000 0.295 486 M C -0.733 175.612 176.300 0.074 0.000 1.248 486 M CA -0.971 54.354 55.300 0.043 0.000 0.843 486 M CB 1.795 34.348 32.600 -0.079 0.000 1.749 486 M HN 0.370 nan 8.290 nan 0.000 0.464 487 T N 1.084 115.659 114.554 0.034 0.000 2.802 487 T HA 0.304 4.654 4.350 -0.000 0.000 0.305 487 T C 1.382 176.117 174.700 0.058 0.000 1.053 487 T CA 0.137 62.245 62.100 0.014 0.000 1.058 487 T CB 0.748 69.555 68.868 -0.102 0.000 0.988 487 T HN 0.759 nan 8.240 nan 0.000 0.539 488 A N 0.709 123.571 122.820 0.069 0.000 2.067 488 A HA 0.158 4.478 4.320 -0.000 0.000 0.219 488 A C 2.586 180.277 177.584 0.178 0.000 1.158 488 A CA 1.634 53.731 52.037 0.100 0.000 0.661 488 A CB -1.388 17.645 19.000 0.056 0.000 0.801 488 A HN 0.968 nan 8.150 nan 0.000 0.452 489 S N 0.166 115.926 115.700 0.100 0.000 2.356 489 S HA -0.019 4.451 4.470 -0.000 0.000 0.219 489 S C 1.587 176.218 174.600 0.052 0.000 1.036 489 S CA 1.065 59.303 58.200 0.063 0.000 0.965 489 S CB -0.258 62.888 63.200 -0.090 0.000 0.864 489 S HN 0.555 nan 8.310 nan 0.000 0.471 490 E N 0.554 120.776 120.200 0.037 0.000 2.461 490 E HA 0.006 4.356 4.350 -0.000 0.000 0.196 490 E C 1.262 177.970 176.600 0.180 0.000 1.129 490 E CA 0.009 56.470 56.400 0.102 0.000 0.902 490 E CB 0.149 29.890 29.700 0.069 0.000 0.963 490 E HN 0.741 nan 8.360 nan 0.000 0.503 491 E N 0.120 120.399 120.200 0.133 0.000 2.421 491 E HA -0.048 4.302 4.350 -0.000 0.000 0.209 491 E C 0.291 176.965 176.600 0.123 0.000 0.871 491 E CA 0.062 56.520 56.400 0.096 0.000 1.064 491 E CB 0.522 30.238 29.700 0.028 0.000 1.075 491 E HN 0.168 nan 8.360 nan 0.000 0.513 492 D N 1.524 121.984 120.400 0.100 0.000 2.395 492 D HA -0.000 4.640 4.640 -0.000 0.000 0.250 492 D C 0.785 177.083 176.300 -0.003 0.000 1.203 492 D CA 0.298 54.331 54.000 0.054 0.000 0.872 492 D CB 0.148 40.988 40.800 0.067 0.000 0.941 492 D HN 0.219 nan 8.370 nan 0.000 0.504 493 R N -0.375 120.113 120.500 -0.021 0.000 2.476 493 R HA 0.137 4.477 4.340 -0.000 0.000 0.276 493 R C -0.144 175.852 176.300 -0.507 0.000 0.941 493 R CA -0.095 55.816 56.100 -0.315 0.000 1.088 493 R CB 0.669 30.654 30.300 -0.525 0.000 1.216 493 R HN 0.097 nan 8.270 nan 0.000 0.533 494 Y N -0.011 120.289 120.300 -0.001 0.000 2.605 494 Y HA 0.305 4.855 4.550 -0.000 0.000 0.343 494 Y C 0.267 176.153 175.900 -0.023 0.000 1.036 494 Y CA -1.204 56.910 58.100 0.023 0.000 1.065 494 Y CB 1.545 40.099 38.460 0.156 0.000 1.288 494 Y HN -0.258 nan 8.280 nan 0.000 0.481 495 T N 2.931 117.571 114.554 0.144 0.000 3.477 495 T HA 0.422 4.772 4.350 -0.000 0.000 0.347 495 T C 0.039 174.761 174.700 0.038 0.000 1.567 495 T CA -0.271 61.858 62.100 0.048 0.000 1.169 495 T CB -1.075 67.803 68.868 0.018 0.000 1.196 495 T HN 0.302 nan 8.240 nan 0.000 0.768 496 I N 2.433 123.004 120.570 0.000 0.000 2.496 496 I HA 0.395 4.565 4.170 -0.000 0.000 0.285 496 I C 0.829 176.939 176.117 -0.012 0.000 1.080 496 I CA -0.609 60.675 61.300 -0.028 0.000 1.404 496 I CB 0.678 38.554 38.000 -0.206 0.000 1.403 496 I HN 0.457 nan 8.210 nan 0.000 0.539 497 A N 5.927 128.767 122.820 0.033 0.000 2.301 497 A HA 0.448 4.768 4.320 -0.000 0.000 0.312 497 A C -0.232 177.392 177.584 0.066 0.000 1.182 497 A CA -0.502 51.556 52.037 0.036 0.000 0.826 497 A CB 0.940 19.961 19.000 0.035 0.000 1.134 497 A HN 0.686 nan 8.150 nan 0.000 0.501 498 Q N 0.729 120.562 119.800 0.054 0.000 2.432 498 Q HA 0.412 4.752 4.340 -0.000 0.000 0.264 498 Q C 1.147 177.193 176.000 0.077 0.000 1.035 498 Q CA 0.943 56.794 55.803 0.081 0.000 0.908 498 Q CB 0.898 29.670 28.738 0.057 0.000 1.280 498 Q HN 0.871 nan 8.270 nan 0.000 0.455 499 A N 2.703 125.576 122.820 0.088 0.000 2.119 499 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 499 A C 1.545 179.168 177.584 0.065 0.000 1.152 499 A CA 1.235 53.314 52.037 0.070 0.000 0.708 499 A CB -0.385 18.654 19.000 0.066 0.000 0.805 499 A HN 0.920 nan 8.150 nan 0.000 0.460 500 N N -0.093 118.646 118.700 0.065 0.000 2.094 500 N HA -0.090 4.650 4.740 -0.000 0.000 0.191 500 N C 0.434 175.971 175.510 0.045 0.000 1.023 500 N CA 1.349 54.432 53.050 0.055 0.000 0.857 500 N CB -0.438 38.072 38.487 0.038 0.000 1.013 500 N HN 0.313 nan 8.380 nan 0.000 0.426 501 T N 2.408 116.985 114.554 0.038 0.000 2.867 501 T HA -0.010 4.340 4.350 -0.000 0.000 0.290 501 T C -2.353 172.366 174.700 0.033 0.000 1.025 501 T CA -0.530 61.588 62.100 0.031 0.000 1.146 501 T CB 0.527 69.412 68.868 0.028 0.000 1.024 501 T HN 0.138 nan 8.240 nan 0.000 0.519 502 P HA 0.602 nan 4.420 nan 0.000 0.276 502 P C -0.983 176.332 177.300 0.026 0.000 1.244 502 P CA -0.466 62.652 63.100 0.030 0.000 0.801 502 P CB 0.527 32.244 31.700 0.028 0.000 1.006 503 L N 0.378 121.616 121.223 0.026 0.000 2.528 503 L HA 0.464 4.804 4.340 -0.000 0.000 0.267 503 L C 0.152 177.036 176.870 0.022 0.000 0.961 503 L CA -1.234 53.619 54.840 0.022 0.000 0.866 503 L CB 0.805 42.877 42.059 0.022 0.000 1.248 503 L HN 0.598 nan 8.230 nan 0.000 0.404 504 E N 3.143 123.354 120.200 0.018 0.000 2.081 504 E HA 0.530 4.880 4.350 -0.000 0.000 0.270 504 E C 0.983 177.593 176.600 0.016 0.000 1.180 504 E CA 0.397 56.808 56.400 0.018 0.000 0.926 504 E CB 0.481 30.190 29.700 0.015 0.000 1.035 504 E HN 2.180 nan 8.360 nan 0.000 0.418 505 G N 4.697 113.508 108.800 0.019 0.000 2.846 505 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.317 505 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.317 505 G C 0.226 175.136 174.900 0.017 0.000 1.210 505 G CA 0.457 45.567 45.100 0.017 0.000 0.972 505 G HN 0.674 nan 8.290 nan 0.000 0.567 506 D N 1.299 121.707 120.400 0.013 0.000 2.650 506 D HA 0.315 4.955 4.640 -0.000 0.000 0.265 506 D C 0.893 177.198 176.300 0.008 0.000 1.339 506 D CA 0.401 54.408 54.000 0.011 0.000 0.816 506 D CB 0.648 41.453 40.800 0.010 0.000 1.091 506 D HN 0.873 nan 8.370 nan 0.000 0.483 507 R N -0.125 120.379 120.500 0.008 0.000 2.771 507 R HA 0.542 4.882 4.340 -0.000 0.000 0.274 507 R C -0.555 175.750 176.300 0.007 0.000 0.987 507 R CA -0.726 55.377 56.100 0.005 0.000 0.908 507 R CB 1.042 31.343 30.300 0.002 0.000 1.213 507 R HN -0.268 nan 8.270 nan 0.000 0.468 508 I N 1.493 122.066 120.570 0.004 0.000 3.094 508 I HA 0.086 4.256 4.170 -0.000 0.000 0.291 508 I C 1.020 177.142 176.117 0.008 0.000 1.250 508 I CA 0.707 62.011 61.300 0.007 0.000 1.401 508 I CB 0.666 38.667 38.000 0.003 0.000 1.343 508 I HN 0.920 nan 8.210 nan 0.000 0.599 509 A N 2.393 125.220 122.820 0.010 0.000 2.456 509 A HA 0.374 4.694 4.320 -0.000 0.000 0.237 509 A C 0.669 178.259 177.584 0.010 0.000 1.217 509 A CA 0.220 52.264 52.037 0.012 0.000 0.962 509 A CB 0.419 19.429 19.000 0.016 0.000 1.079 509 A HN 0.717 nan 8.150 nan 0.000 0.536 510 T N -1.496 113.063 114.554 0.008 0.000 2.894 510 T HA 0.333 4.683 4.350 -0.000 0.000 0.309 510 T C -0.649 174.053 174.700 0.004 0.000 1.208 510 T CA -0.383 61.721 62.100 0.007 0.000 1.016 510 T CB 1.487 70.360 68.868 0.008 0.000 1.192 510 T HN 0.046 nan 8.240 nan 0.000 0.491 511 D N 1.487 121.889 120.400 0.002 0.000 2.224 511 D HA 0.059 4.699 4.640 -0.000 0.000 0.205 511 D C 1.215 177.514 176.300 -0.001 0.000 0.965 511 D CA 0.688 54.688 54.000 -0.000 0.000 0.852 511 D CB 0.256 41.056 40.800 -0.001 0.000 0.947 511 D HN 0.616 nan 8.370 nan 0.000 0.494 512 R N 0.947 121.446 120.500 -0.000 0.000 2.230 512 R HA 0.475 4.815 4.340 -0.000 0.000 0.337 512 R C -0.619 175.681 176.300 -0.000 0.000 1.063 512 R CA -0.320 55.779 56.100 -0.001 0.000 0.935 512 R CB 0.216 30.515 30.300 -0.001 0.000 1.121 512 R HN -0.045 nan 8.270 nan 0.000 0.486 513 V N 4.107 124.020 119.914 -0.002 0.000 2.370 513 V HA 0.405 4.525 4.120 -0.000 0.000 0.283 513 V C 0.132 176.224 176.094 -0.003 0.000 1.023 513 V CA -0.707 61.593 62.300 -0.000 0.000 0.857 513 V CB 1.986 33.809 31.823 0.000 0.000 0.985 513 V HN 0.702 nan 8.190 nan 0.000 0.443 514 V N 4.489 124.402 119.914 -0.001 0.000 2.555 514 V HA 0.854 4.974 4.120 -0.000 0.000 0.286 514 V C 0.368 176.457 176.094 -0.008 0.000 1.044 514 V CA 0.053 62.349 62.300 -0.006 0.000 1.026 514 V CB 0.517 32.337 31.823 -0.005 0.000 0.981 514 V HN 1.105 nan 8.190 nan 0.000 0.480 515 A N 4.650 127.457 122.820 -0.021 0.000 2.597 515 A HA 0.791 5.111 4.320 -0.000 0.000 0.292 515 A C -0.673 176.876 177.584 -0.058 0.000 1.057 515 A CA -1.194 50.824 52.037 -0.032 0.000 0.674 515 A CB 1.564 20.551 19.000 -0.021 0.000 1.278 515 A HN 0.930 nan 8.150 nan 0.000 0.416 516 R N 0.225 120.668 120.500 -0.096 0.000 2.604 516 R HA 0.847 5.187 4.340 -0.000 0.000 0.287 516 R C -0.520 175.718 176.300 -0.103 0.000 0.970 516 R CA -0.911 55.115 56.100 -0.124 0.000 0.946 516 R CB 1.461 31.629 30.300 -0.221 0.000 1.127 516 R HN 0.813 nan 8.270 nan 0.000 0.473 517 R N 0.579 121.031 120.500 -0.080 0.000 2.510 517 R HA 0.370 4.710 4.340 -0.000 0.000 0.287 517 R C -0.250 176.021 176.300 -0.049 0.000 1.084 517 R CA -1.125 54.941 56.100 -0.057 0.000 0.934 517 R CB 1.612 31.893 30.300 -0.032 0.000 1.201 517 R HN 0.760 nan 8.270 nan 0.000 0.431 518 R N 1.391 121.867 120.500 -0.040 0.000 3.758 518 R HA -0.278 4.062 4.340 -0.000 0.000 0.299 518 R C 0.519 176.796 176.300 -0.038 0.000 1.182 518 R CA 1.625 57.713 56.100 -0.020 0.000 0.809 518 R CB -1.487 28.809 30.300 -0.007 0.000 1.249 518 R HN 1.387 nan 8.270 nan 0.000 0.497 519 G N -0.471 108.281 108.800 -0.080 0.000 3.211 519 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.206 519 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.206 519 G C -0.106 174.737 174.900 -0.095 0.000 1.418 519 G CA 0.270 45.309 45.100 -0.102 0.000 0.958 519 G HN 0.438 nan 8.290 nan 0.000 0.567 520 E N 3.842 124.005 120.200 -0.061 0.000 2.415 520 E HA 0.406 4.756 4.350 -0.000 0.000 0.263 520 E C -1.936 174.632 176.600 -0.054 0.000 0.995 520 E CA -1.089 55.282 56.400 -0.048 0.000 0.915 520 E CB 0.798 30.481 29.700 -0.029 0.000 0.951 520 E HN 0.294 nan 8.360 nan 0.000 0.449 521 P HA -0.035 nan 4.420 nan 0.000 0.263 521 P C -1.076 176.202 177.300 -0.036 0.000 1.195 521 P CA 0.182 63.254 63.100 -0.048 0.000 0.762 521 P CB 0.577 32.256 31.700 -0.036 0.000 0.799 522 V N 4.295 124.187 119.914 -0.036 0.000 2.760 522 V HA 0.355 4.475 4.120 -0.000 0.000 0.309 522 V C 0.255 176.336 176.094 -0.022 0.000 1.077 522 V CA -0.995 61.289 62.300 -0.027 0.000 0.910 522 V CB 1.724 33.530 31.823 -0.027 0.000 1.008 522 V HN 0.320 nan 8.190 nan 0.000 0.424 523 I N 3.045 123.605 120.570 -0.017 0.000 2.353 523 I HA 0.816 4.986 4.170 -0.000 0.000 0.293 523 I C -0.157 175.953 176.117 -0.012 0.000 0.992 523 I CA -0.405 60.888 61.300 -0.013 0.000 1.268 523 I CB 1.288 39.282 38.000 -0.010 0.000 1.387 523 I HN 0.325 nan 8.210 nan 0.000 0.478 524 V N 3.943 123.851 119.914 -0.010 0.000 3.114 524 V HA 0.805 4.925 4.120 -0.000 0.000 0.308 524 V C -0.030 176.059 176.094 -0.009 0.000 1.168 524 V CA -0.905 61.388 62.300 -0.011 0.000 1.015 524 V CB 2.271 34.086 31.823 -0.012 0.000 1.050 524 V HN 1.074 nan 8.190 nan 0.000 0.433 525 A N 4.444 127.259 122.820 -0.010 0.000 2.477 525 A HA 0.488 4.808 4.320 -0.000 0.000 0.246 525 A C -1.701 175.877 177.584 -0.010 0.000 1.078 525 A CA -0.810 51.221 52.037 -0.009 0.000 0.770 525 A CB 0.003 18.996 19.000 -0.011 0.000 1.011 525 A HN 0.716 nan 8.150 nan 0.000 0.494 526 P HA -0.095 nan 4.420 nan 0.000 0.222 526 P C 1.463 178.754 177.300 -0.016 0.000 1.142 526 P CA 2.059 65.153 63.100 -0.010 0.000 0.788 526 P CB 0.229 31.925 31.700 -0.007 0.000 0.767 527 E N 0.129 120.319 120.200 -0.017 0.000 2.102 527 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 527 E C 1.861 178.446 176.600 -0.025 0.000 0.971 527 E CA 0.809 57.196 56.400 -0.021 0.000 0.821 527 E CB -1.370 28.320 29.700 -0.018 0.000 0.777 527 E HN 0.349 nan 8.360 nan 0.000 0.460 528 E N -0.307 119.881 120.200 -0.020 0.000 2.171 528 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 528 E C 0.705 177.294 176.600 -0.019 0.000 0.997 528 E CA 0.571 56.960 56.400 -0.019 0.000 0.810 528 E CB -0.128 29.563 29.700 -0.016 0.000 0.738 528 E HN 0.348 nan 8.360 nan 0.000 0.467 529 V N 1.267 121.168 119.914 -0.022 0.000 2.763 529 V HA -0.117 4.003 4.120 -0.000 0.000 0.306 529 V C 0.941 177.004 176.094 -0.053 0.000 1.059 529 V CA 1.088 63.374 62.300 -0.023 0.000 1.138 529 V CB 1.121 32.932 31.823 -0.020 0.000 0.940 529 V HN 0.222 nan 8.190 nan 0.000 0.489 530 E N 2.945 123.114 120.200 -0.051 0.000 2.441 530 E HA 0.285 4.635 4.350 -0.000 0.000 0.212 530 E C -0.722 175.550 176.600 -0.547 0.000 0.840 530 E CA 0.215 56.511 56.400 -0.172 0.000 1.143 530 E CB 0.978 30.738 29.700 0.100 0.000 1.153 530 E HN 0.590 nan 8.360 nan 0.000 0.539 531 F N -0.356 119.555 119.950 -0.064 0.000 2.745 531 F HA 0.498 5.025 4.527 -0.000 0.000 0.316 531 F C -0.536 175.240 175.800 -0.040 0.000 1.155 531 F CA -0.991 56.953 58.000 -0.094 0.000 0.937 531 F CB 1.875 40.743 39.000 -0.220 0.000 1.361 531 F HN -0.229 nan 8.300 nan 0.000 0.472 532 M N 0.384 120.141 119.600 0.262 0.000 2.691 532 M HA 0.430 4.910 4.480 -0.000 0.000 0.293 532 M C -1.815 174.641 176.300 0.261 0.000 1.259 532 M CA -0.798 54.612 55.300 0.184 0.000 0.827 532 M CB 2.074 34.738 32.600 0.106 0.000 1.753 532 M HN 0.465 nan 8.290 nan 0.000 0.465 533 D N 0.928 121.444 120.400 0.194 0.000 2.264 533 D HA 0.220 4.860 4.640 -0.000 0.000 0.249 533 D C 0.759 177.058 176.300 -0.001 0.000 1.070 533 D CA -0.180 53.902 54.000 0.137 0.000 0.912 533 D CB 1.869 42.766 40.800 0.162 0.000 1.193 533 D HN 0.310 nan 8.370 nan 0.000 0.427 534 V N 0.503 120.329 119.914 -0.146 0.000 2.407 534 V HA -0.004 4.116 4.120 -0.000 0.000 0.245 534 V C 1.008 176.994 176.094 -0.179 0.000 1.041 534 V CA 1.167 63.328 62.300 -0.231 0.000 1.040 534 V CB -0.037 31.495 31.823 -0.485 0.000 0.671 534 V HN 0.652 nan 8.190 nan 0.000 0.455 535 S N -1.578 114.030 115.700 -0.153 0.000 2.558 535 S HA 0.336 4.806 4.470 -0.000 0.000 0.277 535 S C -2.507 172.116 174.600 0.039 0.000 1.143 535 S CA -0.518 57.669 58.200 -0.023 0.000 0.865 535 S CB 1.826 65.034 63.200 0.013 0.000 1.102 535 S HN -0.013 nan 8.310 nan 0.000 0.454 536 P HA -0.123 nan 4.420 nan 0.000 0.218 536 P C 1.064 178.506 177.300 0.237 0.000 1.148 536 P CA 1.195 64.422 63.100 0.212 0.000 0.822 536 P CB -0.052 31.865 31.700 0.362 0.000 0.784 537 K N 0.177 120.720 120.400 0.239 0.000 2.107 537 K HA -0.240 4.080 4.320 -0.000 0.000 0.211 537 K C 2.401 179.132 176.600 0.218 0.000 1.049 537 K CA 1.606 58.053 56.287 0.267 0.000 0.927 537 K CB -0.563 32.096 32.500 0.266 0.000 0.714 537 K HN 0.181 nan 8.250 nan 0.000 0.452 538 Q N 0.423 120.318 119.800 0.158 0.000 2.294 538 Q HA -0.245 4.095 4.340 -0.000 0.000 0.215 538 Q C 1.905 177.813 176.000 -0.153 0.000 1.000 538 Q CA 1.631 57.453 55.803 0.031 0.000 0.916 538 Q CB -0.056 28.592 28.738 -0.151 0.000 0.932 538 Q HN 0.189 nan 8.270 nan 0.000 0.420 539 V N -0.571 119.152 119.914 -0.318 0.000 2.788 539 V HA -0.035 4.085 4.120 -0.000 0.000 0.251 539 V C 0.429 176.153 176.094 -0.617 0.000 1.068 539 V CA 0.845 62.725 62.300 -0.701 0.000 1.090 539 V CB -0.032 31.138 31.823 -1.088 0.000 0.710 539 V HN 0.119 nan 8.190 nan 0.000 0.467 540 F N -0.755 119.177 119.950 -0.030 0.000 2.557 540 F HA 0.533 5.060 4.527 -0.000 0.000 0.336 540 F C 0.841 176.638 175.800 -0.006 0.000 1.058 540 F CA -0.594 57.403 58.000 -0.005 0.000 0.988 540 F CB 1.120 40.121 39.000 0.001 0.000 1.275 540 F HN -0.140 nan 8.300 nan 0.000 0.488 541 S N 0.830 116.661 115.700 0.218 0.000 2.617 541 S HA 0.100 4.570 4.470 -0.000 0.000 0.259 541 S C 1.040 175.686 174.600 0.077 0.000 1.301 541 S CA -0.566 57.699 58.200 0.108 0.000 0.984 541 S CB 0.560 63.809 63.200 0.082 0.000 0.954 541 S HN 0.613 nan 8.310 nan 0.000 0.572 542 L N 2.020 123.261 121.223 0.030 0.000 2.017 542 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 542 L C 2.106 178.969 176.870 -0.011 0.000 1.073 542 L CA 2.005 56.845 54.840 0.000 0.000 0.745 542 L CB -2.273 39.778 42.059 -0.014 0.000 0.894 542 L HN 0.778 nan 8.230 nan 0.000 0.432 543 N N -1.250 117.446 118.700 -0.007 0.000 2.142 543 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 543 N C 1.641 177.124 175.510 -0.046 0.000 1.023 543 N CA 1.784 54.822 53.050 -0.020 0.000 0.852 543 N CB -0.603 37.878 38.487 -0.010 0.000 0.998 543 N HN 0.329 nan 8.380 nan 0.000 0.424 544 T N 0.594 115.126 114.554 -0.037 0.000 2.665 544 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 544 T C 1.468 176.060 174.700 -0.181 0.000 1.035 544 T CA 1.183 63.217 62.100 -0.110 0.000 1.151 544 T CB -0.407 68.430 68.868 -0.052 0.000 0.862 544 T HN 0.283 nan 8.240 nan 0.000 0.438 545 N N 0.859 119.501 118.700 -0.096 0.000 2.609 545 N HA 0.064 4.804 4.740 -0.000 0.000 0.190 545 N C 1.060 176.501 175.510 -0.115 0.000 1.157 545 N CA 0.279 53.269 53.050 -0.101 0.000 0.918 545 N CB -0.125 38.355 38.487 -0.012 0.000 0.978 545 N HN 0.384 nan 8.380 nan 0.000 0.448 546 L N 0.559 121.714 121.223 -0.113 0.000 2.592 546 L HA 0.233 4.573 4.340 -0.000 0.000 0.227 546 L C -0.040 176.741 176.870 -0.148 0.000 1.127 546 L CA 0.165 54.941 54.840 -0.105 0.000 0.884 546 L CB 0.213 42.234 42.059 -0.063 0.000 1.065 546 L HN -0.021 nan 8.230 nan 0.000 0.457 547 I N 0.697 121.149 120.570 -0.197 0.000 2.291 547 I HA 0.146 4.315 4.170 -0.000 0.000 0.290 547 I C -1.360 174.612 176.117 -0.242 0.000 1.050 547 I CA -1.679 59.479 61.300 -0.238 0.000 1.245 547 I CB 1.251 39.113 38.000 -0.231 0.000 1.405 547 I HN -0.145 nan 8.210 nan 0.000 0.478 548 P HA -0.207 nan 4.420 nan 0.000 0.212 548 P C 0.568 177.646 177.300 -0.370 0.000 1.174 548 P CA 1.834 64.715 63.100 -0.365 0.000 0.934 548 P CB 0.090 31.557 31.700 -0.387 0.000 0.791 549 F N -1.694 118.361 119.950 0.175 0.000 2.986 549 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 549 F C 1.634 177.484 175.800 0.084 0.000 1.210 549 F CA -0.620 57.483 58.000 0.170 0.000 1.346 549 F CB -0.418 38.735 39.000 0.255 0.000 1.007 549 F HN -0.176 nan 8.300 nan 0.000 0.512 550 L N 0.852 122.057 121.223 -0.028 0.000 2.103 550 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 550 L C 1.958 178.757 176.870 -0.118 0.000 1.080 550 L CA 1.832 56.553 54.840 -0.198 0.000 0.764 550 L CB -0.763 40.933 42.059 -0.604 0.000 0.890 550 L HN 0.236 nan 8.230 nan 0.000 0.435 551 E N -0.484 119.631 120.200 -0.141 0.000 2.181 551 E HA -0.269 4.081 4.350 -0.000 0.000 0.225 551 E C 1.711 178.262 176.600 -0.082 0.000 1.073 551 E CA 2.357 58.807 56.400 0.084 0.000 0.916 551 E CB -0.610 28.866 29.700 -0.373 0.000 0.793 551 E HN 0.679 nan 8.360 nan 0.000 0.472 552 H N -0.345 118.824 119.070 0.165 0.000 2.507 552 H HA 0.269 4.825 4.556 -0.000 0.000 0.294 552 H C -0.415 174.944 175.328 0.051 0.000 1.064 552 H CA -0.147 55.950 56.048 0.081 0.000 1.138 552 H CB 0.075 29.841 29.762 0.007 0.000 1.515 552 H HN 0.030 nan 8.280 nan 0.000 0.547 553 D N 1.516 122.008 120.400 0.153 0.000 2.192 553 D HA 0.077 4.717 4.640 -0.000 0.000 0.246 553 D C -0.125 176.235 176.300 0.100 0.000 1.042 553 D CA -0.485 53.586 54.000 0.118 0.000 0.847 553 D CB 1.846 42.734 40.800 0.147 0.000 1.186 553 D HN 0.220 nan 8.370 nan 0.000 0.461 554 D N 0.799 121.246 120.400 0.079 0.000 2.389 554 D HA 0.250 4.890 4.640 -0.000 0.000 0.247 554 D C 1.042 177.387 176.300 0.075 0.000 1.128 554 D CA -0.366 53.677 54.000 0.072 0.000 0.884 554 D CB 1.237 42.069 40.800 0.053 0.000 1.194 554 D HN 0.301 nan 8.370 nan 0.000 0.441 555 A N 4.480 127.351 122.820 0.085 0.000 1.927 555 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 555 A C 2.070 179.695 177.584 0.068 0.000 1.185 555 A CA 1.582 53.673 52.037 0.090 0.000 0.639 555 A CB -0.681 18.384 19.000 0.107 0.000 0.820 555 A HN 0.788 nan 8.150 nan 0.000 0.451 556 N N -0.949 117.786 118.700 0.057 0.000 2.084 556 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 556 N C 1.941 177.475 175.510 0.039 0.000 1.030 556 N CA 1.392 54.469 53.050 0.045 0.000 0.849 556 N CB -0.210 38.299 38.487 0.037 0.000 1.012 556 N HN 0.272 nan 8.380 nan 0.000 0.423 557 R N 1.061 121.585 120.500 0.040 0.000 2.152 557 R HA 0.087 4.427 4.340 -0.000 0.000 0.232 557 R C 1.922 178.250 176.300 0.047 0.000 1.117 557 R CA 0.967 57.092 56.100 0.041 0.000 0.981 557 R CB -0.772 29.555 30.300 0.044 0.000 0.870 557 R HN 0.245 nan 8.270 nan 0.000 0.451 558 A N 0.450 123.299 122.820 0.048 0.000 1.969 558 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 558 A C 1.893 179.485 177.584 0.014 0.000 1.169 558 A CA 1.395 53.451 52.037 0.031 0.000 0.635 558 A CB -0.527 18.484 19.000 0.019 0.000 0.810 558 A HN 0.335 nan 8.150 nan 0.000 0.445 559 L N -1.644 119.596 121.223 0.027 0.000 2.056 559 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 559 L C 2.232 179.113 176.870 0.019 0.000 1.078 559 L CA 2.247 57.103 54.840 0.026 0.000 0.749 559 L CB -1.023 41.057 42.059 0.036 0.000 0.901 559 L HN 0.307 nan 8.230 nan 0.000 0.433 560 M N 0.505 120.118 119.600 0.021 0.000 2.080 560 M HA -0.124 4.356 4.480 -0.000 0.000 0.260 560 M C 2.212 178.521 176.300 0.015 0.000 1.068 560 M CA 2.105 57.417 55.300 0.020 0.000 1.109 560 M CB -1.090 31.524 32.600 0.023 0.000 1.342 560 M HN 0.571 nan 8.290 nan 0.000 0.405 561 G N -1.411 107.396 108.800 0.011 0.000 2.408 561 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 561 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 561 G C 1.594 176.482 174.900 -0.019 0.000 1.150 561 G CA 1.099 46.195 45.100 -0.007 0.000 0.776 561 G HN 0.435 nan 8.290 nan 0.000 0.542 562 S N 0.438 116.127 115.700 -0.018 0.000 2.368 562 S HA -0.065 4.405 4.470 -0.000 0.000 0.225 562 S C 1.830 176.425 174.600 -0.007 0.000 1.030 562 S CA 1.086 59.273 58.200 -0.021 0.000 0.999 562 S CB -0.268 62.923 63.200 -0.014 0.000 0.844 562 S HN 0.465 nan 8.310 nan 0.000 0.459 563 N N 0.258 118.959 118.700 0.002 0.000 2.235 563 N HA 0.213 4.953 4.740 -0.000 0.000 0.267 563 N C 1.382 176.896 175.510 0.006 0.000 1.298 563 N CA 0.618 53.671 53.050 0.005 0.000 0.936 563 N CB -0.311 38.183 38.487 0.013 0.000 1.035 563 N HN 0.126 nan 8.380 nan 0.000 0.451 564 M N -1.270 118.340 119.600 0.016 0.000 2.467 564 M HA -0.507 3.973 4.480 -0.000 0.000 0.155 564 M C 1.609 177.913 176.300 0.006 0.000 0.683 564 M CA 2.006 57.316 55.300 0.018 0.000 0.485 564 M CB -1.253 31.357 32.600 0.018 0.000 1.642 564 M HN 0.496 nan 8.290 nan 0.000 0.262 565 Q N -0.544 119.260 119.800 0.007 0.000 2.173 565 Q HA -0.195 4.145 4.340 -0.000 0.000 0.208 565 Q C 1.700 177.705 176.000 0.008 0.000 0.989 565 Q CA 2.569 58.382 55.803 0.017 0.000 0.872 565 Q CB -0.213 28.539 28.738 0.022 0.000 0.909 565 Q HN 0.710 nan 8.270 nan 0.000 0.420 566 T N 0.651 115.201 114.554 -0.007 0.000 2.720 566 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 566 T C 1.422 176.097 174.700 -0.041 0.000 1.037 566 T CA 1.363 63.447 62.100 -0.027 0.000 1.144 566 T CB -0.140 68.706 68.868 -0.037 0.000 0.864 566 T HN 0.355 nan 8.240 nan 0.000 0.444 567 Q N 0.473 120.255 119.800 -0.030 0.000 2.482 567 Q HA 0.309 4.649 4.340 -0.000 0.000 0.209 567 Q C 0.748 176.745 176.000 -0.006 0.000 0.961 567 Q CA -0.237 55.543 55.803 -0.038 0.000 0.945 567 Q CB 0.021 28.743 28.738 -0.027 0.000 1.012 567 Q HN 0.442 nan 8.270 nan 0.000 0.515 568 A N 1.148 123.971 122.820 0.004 0.000 2.438 568 A HA 0.206 4.526 4.320 -0.000 0.000 0.280 568 A C -0.086 177.523 177.584 0.041 0.000 1.160 568 A CA -0.174 51.878 52.037 0.025 0.000 0.821 568 A CB 0.198 19.220 19.000 0.036 0.000 1.101 568 A HN 0.183 nan 8.150 nan 0.000 0.515 569 V N 6.197 126.149 119.914 0.063 0.000 2.508 569 V HA 0.317 4.437 4.120 -0.000 0.000 0.281 569 V C -1.979 174.160 176.094 0.076 0.000 1.041 569 V CA -2.021 60.330 62.300 0.086 0.000 1.016 569 V CB 0.866 32.760 31.823 0.118 0.000 0.984 569 V HN 0.808 nan 8.190 nan 0.000 0.478 570 P HA 0.096 nan 4.420 nan 0.000 0.262 570 P C -0.857 176.476 177.300 0.055 0.000 1.182 570 P CA 0.110 63.248 63.100 0.063 0.000 0.761 570 P CB 0.691 32.435 31.700 0.075 0.000 0.795 571 L N 3.499 124.734 121.223 0.021 0.000 2.334 571 L HA 0.338 4.678 4.340 -0.000 0.000 0.270 571 L C 2.126 178.985 176.870 -0.019 0.000 1.018 571 L CA -0.573 54.262 54.840 -0.009 0.000 0.811 571 L CB 0.569 42.577 42.059 -0.084 0.000 1.271 571 L HN 0.305 nan 8.230 nan 0.000 0.443 572 I N 0.258 120.818 120.570 -0.016 0.000 2.099 572 I HA -0.210 3.960 4.170 -0.000 0.000 0.239 572 I C 0.898 176.984 176.117 -0.051 0.000 1.066 572 I CA 1.450 62.748 61.300 -0.003 0.000 1.324 572 I CB -0.028 37.979 38.000 0.011 0.000 1.037 572 I HN 0.578 nan 8.210 nan 0.000 0.401 573 R N 1.162 121.587 120.500 -0.126 0.000 4.231 573 R HA 0.365 4.705 4.340 -0.000 0.000 0.250 573 R C -0.092 176.067 176.300 -0.236 0.000 1.600 573 R CA -0.331 55.661 56.100 -0.181 0.000 1.523 573 R CB 0.361 30.520 30.300 -0.236 0.000 1.422 573 R HN 0.206 nan 8.270 nan 0.000 0.759 574 A N 1.987 124.726 122.820 -0.135 0.000 2.586 574 A HA 0.031 4.351 4.320 -0.000 0.000 0.231 574 A C 0.052 177.582 177.584 -0.089 0.000 1.055 574 A CA 0.379 52.361 52.037 -0.092 0.000 0.756 574 A CB 0.121 19.102 19.000 -0.031 0.000 0.988 574 A HN 0.629 nan 8.150 nan 0.000 0.509 575 Q N 0.510 120.284 119.800 -0.043 0.000 2.313 575 Q HA 0.636 4.976 4.340 -0.000 0.000 0.260 575 Q C -0.683 175.328 176.000 0.017 0.000 0.972 575 Q CA -0.431 55.359 55.803 -0.022 0.000 0.886 575 Q CB 1.377 30.080 28.738 -0.057 0.000 1.373 575 Q HN 1.244 nan 8.270 nan 0.000 0.416 576 A N 3.557 126.355 122.820 -0.037 0.000 2.425 576 A HA 0.577 4.897 4.320 -0.000 0.000 0.242 576 A C -2.117 175.302 177.584 -0.274 0.000 1.077 576 A CA -0.924 51.023 52.037 -0.150 0.000 0.781 576 A CB -0.384 18.551 19.000 -0.109 0.000 1.020 576 A HN 0.634 nan 8.150 nan 0.000 0.494 577 P HA 0.157 nan 4.420 nan 0.000 0.274 577 P C 1.123 178.271 177.300 -0.254 0.000 1.237 577 P CA -0.030 62.680 63.100 -0.650 0.000 0.793 577 P CB 0.515 31.486 31.700 -1.216 0.000 0.977 578 V N 0.026 119.902 119.914 -0.064 0.000 2.759 578 V HA -0.065 4.055 4.120 -0.000 0.000 0.256 578 V C 0.779 176.923 176.094 0.083 0.000 1.080 578 V CA 1.173 63.499 62.300 0.043 0.000 1.101 578 V CB -1.084 30.828 31.823 0.149 0.000 0.698 578 V HN 0.282 nan 8.190 nan 0.000 0.477 579 V N 0.416 120.338 119.914 0.013 0.000 2.483 579 V HA 0.674 4.794 4.120 -0.000 0.000 0.297 579 V C -0.462 175.561 176.094 -0.120 0.000 1.027 579 V CA -0.556 61.755 62.300 0.018 0.000 0.855 579 V CB 1.286 33.131 31.823 0.036 0.000 0.995 579 V HN 0.313 nan 8.190 nan 0.000 0.424 580 M N 2.441 121.968 119.600 -0.121 0.000 2.819 580 M HA 0.530 5.010 4.480 -0.000 0.000 0.300 580 M C 0.722 176.943 176.300 -0.132 0.000 1.237 580 M CA -0.568 54.634 55.300 -0.163 0.000 0.813 580 M CB 2.506 34.996 32.600 -0.183 0.000 1.755 580 M HN 0.696 nan 8.290 nan 0.000 0.484 581 T N -3.116 111.367 114.554 -0.117 0.000 3.174 581 T HA 0.464 4.814 4.350 -0.000 0.000 0.269 581 T C 1.048 175.729 174.700 -0.033 0.000 1.017 581 T CA 0.228 62.275 62.100 -0.087 0.000 0.899 581 T CB 0.013 68.813 68.868 -0.113 0.000 1.077 581 T HN 1.070 nan 8.240 nan 0.000 0.552 582 G N 2.279 111.065 108.800 -0.022 0.000 3.444 582 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.222 582 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.222 582 G C 0.875 175.808 174.900 0.056 0.000 1.358 582 G CA 0.273 45.390 45.100 0.029 0.000 0.880 582 G HN 0.511 nan 8.290 nan 0.000 0.555 583 L N 2.310 123.543 121.223 0.018 0.000 2.386 583 L HA -0.180 4.160 4.340 -0.000 0.000 0.220 583 L C 2.896 179.784 176.870 0.029 0.000 1.115 583 L CA 2.130 56.975 54.840 0.008 0.000 0.780 583 L CB -0.376 41.671 42.059 -0.021 0.000 0.902 583 L HN 0.704 nan 8.230 nan 0.000 0.442 584 E N -0.579 119.665 120.200 0.073 0.000 2.274 584 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 584 E C 1.696 178.391 176.600 0.158 0.000 0.996 584 E CA 0.500 56.966 56.400 0.109 0.000 0.840 584 E CB -0.264 29.497 29.700 0.101 0.000 0.772 584 E HN 0.505 nan 8.360 nan 0.000 0.491 585 E N 1.943 122.246 120.200 0.171 0.000 2.031 585 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 585 E C 2.112 178.667 176.600 -0.074 0.000 0.994 585 E CA 1.256 57.599 56.400 -0.095 0.000 0.800 585 E CB -0.028 29.590 29.700 -0.137 0.000 0.752 585 E HN 0.128 nan 8.360 nan 0.000 0.447 586 R N -0.044 120.429 120.500 -0.044 0.000 2.119 586 R HA -0.003 4.337 4.340 -0.000 0.000 0.222 586 R C 2.375 178.640 176.300 -0.058 0.000 1.088 586 R CA 0.868 56.925 56.100 -0.071 0.000 0.984 586 R CB -0.322 29.934 30.300 -0.073 0.000 0.884 586 R HN 0.046 nan 8.270 nan 0.000 0.447 587 V N -0.398 119.497 119.914 -0.032 0.000 2.427 587 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 587 V C 2.172 178.258 176.094 -0.015 0.000 1.051 587 V CA 1.588 63.871 62.300 -0.028 0.000 1.048 587 V CB -0.326 31.487 31.823 -0.017 0.000 0.666 587 V HN 0.135 nan 8.190 nan 0.000 0.456 588 V N 0.693 120.609 119.914 0.005 0.000 2.295 588 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 588 V C 2.646 178.778 176.094 0.065 0.000 1.049 588 V CA 2.616 64.935 62.300 0.033 0.000 1.024 588 V CB -0.787 31.060 31.823 0.039 0.000 0.648 588 V HN 0.635 nan 8.190 nan 0.000 0.447 589 R N 0.591 121.116 120.500 0.042 0.000 2.073 589 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 589 R C 1.826 178.065 176.300 -0.101 0.000 1.134 589 R CA 2.326 58.401 56.100 -0.042 0.000 0.952 589 R CB -0.592 29.547 30.300 -0.269 0.000 0.850 589 R HN 0.425 nan 8.270 nan 0.000 0.433 590 D N -0.141 120.201 120.400 -0.097 0.000 2.269 590 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 590 D C 1.772 178.033 176.300 -0.065 0.000 0.963 590 D CA 1.430 55.374 54.000 -0.094 0.000 0.864 590 D CB 0.018 40.763 40.800 -0.092 0.000 0.936 590 D HN 0.422 nan 8.370 nan 0.000 0.505 591 S N 0.184 115.859 115.700 -0.042 0.000 2.481 591 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 591 S C 1.445 176.020 174.600 -0.042 0.000 0.996 591 S CA 0.178 58.349 58.200 -0.047 0.000 0.942 591 S CB -0.353 62.824 63.200 -0.038 0.000 0.768 591 S HN 0.378 nan 8.310 nan 0.000 0.520 592 L N -0.944 120.279 121.223 -0.000 0.000 4.137 592 L HA -0.299 4.041 4.340 -0.000 0.000 0.421 592 L C 1.653 178.549 176.870 0.042 0.000 1.162 592 L CA 0.325 55.184 54.840 0.032 0.000 0.978 592 L CB -2.348 39.703 42.059 -0.012 0.000 1.957 592 L HN 0.484 nan 8.230 nan 0.000 0.978 593 A N -0.854 121.991 122.820 0.041 0.000 2.167 593 A HA 0.511 4.831 4.320 -0.000 0.000 0.214 593 A C 1.205 178.872 177.584 0.138 0.000 1.151 593 A CA 1.231 53.322 52.037 0.091 0.000 0.735 593 A CB -0.066 18.960 19.000 0.044 0.000 0.802 593 A HN 0.648 nan 8.150 nan 0.000 0.467 594 A N -0.876 121.992 122.820 0.080 0.000 2.374 594 A HA 0.667 4.987 4.320 -0.000 0.000 0.317 594 A C -0.618 176.907 177.584 -0.098 0.000 1.094 594 A CA -0.566 51.435 52.037 -0.060 0.000 0.765 594 A CB 0.715 19.605 19.000 -0.182 0.000 1.268 594 A HN 0.308 nan 8.150 nan 0.000 0.438 595 L N 1.290 122.370 121.223 -0.238 0.000 2.417 595 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 595 L C -1.194 175.427 176.870 -0.416 0.000 1.158 595 L CA 0.501 55.215 54.840 -0.210 0.000 0.819 595 L CB 0.481 42.417 42.059 -0.206 0.000 1.112 595 L HN 0.674 nan 8.230 nan 0.000 0.458 596 Y N 1.863 122.078 120.300 -0.142 0.000 2.544 596 Y HA 0.586 5.136 4.550 0.000 0.000 0.342 596 Y C 0.216 176.040 175.900 -0.128 0.000 1.062 596 Y CA -0.926 57.103 58.100 -0.120 0.000 1.023 596 Y CB 1.477 39.879 38.460 -0.097 0.000 1.308 596 Y HN 0.664 nan 8.280 nan 0.000 0.457 597 A N 1.377 124.247 122.820 0.084 0.000 2.466 597 A HA 0.185 4.505 4.320 -0.000 0.000 0.238 597 A C 0.738 178.344 177.584 0.036 0.000 1.074 597 A CA 0.157 52.251 52.037 0.096 0.000 0.774 597 A CB 0.367 19.446 19.000 0.132 0.000 1.015 597 A HN 1.005 nan 8.150 nan 0.000 0.498 598 E N -0.197 119.977 120.200 -0.043 0.000 2.079 598 E HA 0.112 4.462 4.350 -0.000 0.000 0.191 598 E C -0.102 176.289 176.600 -0.348 0.000 0.961 598 E CA 0.860 57.107 56.400 -0.255 0.000 0.823 598 E CB 0.301 29.770 29.700 -0.386 0.000 0.789 598 E HN 0.739 nan 8.360 nan 0.000 0.459 599 E N 1.196 121.067 120.200 -0.548 0.000 2.334 599 E HA 0.027 4.377 4.350 -0.000 0.000 0.280 599 E C -1.840 174.685 176.600 -0.124 0.000 0.899 599 E CA -0.461 55.752 56.400 -0.312 0.000 0.813 599 E CB 0.796 30.293 29.700 -0.338 0.000 1.318 599 E HN 0.168 nan 8.360 nan 0.000 0.399 600 D N 2.962 123.351 120.400 -0.018 0.000 3.434 600 D HA -0.083 4.557 4.640 -0.000 0.000 0.215 600 D C 0.214 176.589 176.300 0.126 0.000 1.157 600 D CA 0.869 54.904 54.000 0.060 0.000 0.785 600 D CB 0.559 41.377 40.800 0.031 0.000 1.164 600 D HN 0.446 nan 8.370 nan 0.000 0.580 601 G N 1.968 110.888 108.800 0.200 0.000 3.039 601 G HA2 0.451 4.411 3.960 -0.000 0.000 0.202 601 G HA3 0.451 4.411 3.960 -0.000 0.000 0.202 601 G C -1.290 173.671 174.900 0.103 0.000 1.151 601 G CA -0.652 44.564 45.100 0.194 0.000 0.836 601 G HN 0.528 nan 8.290 nan 0.000 0.598 602 E N -0.666 119.565 120.200 0.052 0.000 2.292 602 E HA 0.528 4.878 4.350 -0.000 0.000 0.272 602 E C -0.690 175.890 176.600 -0.034 0.000 0.881 602 E CA -0.698 55.707 56.400 0.009 0.000 0.754 602 E CB 2.495 32.198 29.700 0.004 0.000 1.201 602 E HN 0.413 nan 8.360 nan 0.000 0.425 603 V N 2.226 122.123 119.914 -0.028 0.000 2.785 603 V HA 0.309 4.429 4.120 -0.000 0.000 0.300 603 V C 0.515 176.582 176.094 -0.045 0.000 1.062 603 V CA -0.376 61.897 62.300 -0.045 0.000 1.029 603 V CB 1.230 33.035 31.823 -0.030 0.000 1.024 603 V HN 0.701 nan 8.190 nan 0.000 0.477 604 V N 1.213 121.094 119.914 -0.055 0.000 3.177 604 V HA 0.243 4.363 4.120 -0.000 0.000 0.220 604 V C 0.386 176.455 176.094 -0.042 0.000 1.395 604 V CA 0.222 62.492 62.300 -0.050 0.000 1.317 604 V CB 0.317 32.101 31.823 -0.064 0.000 1.148 604 V HN 0.856 nan 8.190 nan 0.000 0.499 605 K N 1.055 121.428 120.400 -0.046 0.000 2.483 605 K HA 0.694 5.014 4.320 -0.000 0.000 0.256 605 K C -1.525 175.056 176.600 -0.032 0.000 0.961 605 K CA -0.164 56.101 56.287 -0.038 0.000 0.873 605 K CB 2.613 35.088 32.500 -0.042 0.000 1.107 605 K HN 0.021 nan 8.250 nan 0.000 0.432 606 V N 4.227 124.124 119.914 -0.028 0.000 2.385 606 V HA 0.195 4.315 4.120 -0.000 0.000 0.277 606 V C -0.630 175.448 176.094 -0.026 0.000 1.012 606 V CA -0.669 61.614 62.300 -0.028 0.000 0.832 606 V CB 1.007 32.813 31.823 -0.028 0.000 1.028 606 V HN 0.869 nan 8.190 nan 0.000 0.436 607 D N 3.296 123.680 120.400 -0.027 0.000 2.781 607 D HA 0.367 5.007 4.640 -0.000 0.000 0.295 607 D C 1.308 177.589 176.300 -0.031 0.000 1.143 607 D CA 0.175 54.160 54.000 -0.025 0.000 1.076 607 D CB 1.894 42.681 40.800 -0.020 0.000 1.444 607 D HN 0.322 nan 8.370 nan 0.000 0.567 608 G N -0.771 108.013 108.800 -0.027 0.000 2.469 608 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 608 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 608 G C 1.201 176.072 174.900 -0.047 0.000 1.150 608 G CA 2.100 47.180 45.100 -0.034 0.000 0.763 608 G HN 0.642 nan 8.290 nan 0.000 0.561 609 T N -1.722 112.810 114.554 -0.037 0.000 3.014 609 T HA 0.262 4.612 4.350 -0.000 0.000 0.250 609 T C 0.845 175.523 174.700 -0.036 0.000 1.060 609 T CA 0.029 62.104 62.100 -0.040 0.000 1.040 609 T CB 0.231 69.083 68.868 -0.027 0.000 0.971 609 T HN 0.581 nan 8.240 nan 0.000 0.497 610 R N 0.364 120.846 120.500 -0.030 0.000 2.725 610 R HA 0.740 5.080 4.340 -0.000 0.000 0.277 610 R C -1.936 174.356 176.300 -0.013 0.000 0.987 610 R CA -1.018 55.071 56.100 -0.018 0.000 0.901 610 R CB 1.348 31.634 30.300 -0.022 0.000 1.207 610 R HN 0.123 nan 8.270 nan 0.000 0.463 611 I N 2.227 122.807 120.570 0.017 0.000 2.447 611 I HA 0.540 4.710 4.170 -0.000 0.000 0.287 611 I C -0.586 175.569 176.117 0.062 0.000 1.023 611 I CA -0.832 60.485 61.300 0.028 0.000 1.083 611 I CB 2.092 40.106 38.000 0.025 0.000 1.245 611 I HN 0.883 nan 8.210 nan 0.000 0.434 612 A N 5.779 128.594 122.820 -0.008 0.000 2.355 612 A HA 0.867 5.187 4.320 -0.000 0.000 0.324 612 A C -1.232 176.286 177.584 -0.110 0.000 1.117 612 A CA -0.666 51.329 52.037 -0.071 0.000 0.785 612 A CB 2.125 21.066 19.000 -0.099 0.000 1.254 612 A HN 0.523 nan 8.150 nan 0.000 0.453 613 V N 2.489 122.262 119.914 -0.235 0.000 2.612 613 V HA 0.579 4.699 4.120 -0.000 0.000 0.301 613 V C -0.325 175.476 176.094 -0.487 0.000 1.059 613 V CA -0.730 61.367 62.300 -0.337 0.000 0.886 613 V CB 1.531 33.144 31.823 -0.351 0.000 1.007 613 V HN 0.989 nan 8.190 nan 0.000 0.426 614 R N 5.451 125.794 120.500 -0.262 0.000 2.399 614 R HA 0.318 4.658 4.340 -0.000 0.000 0.324 614 R C -0.832 175.394 176.300 -0.124 0.000 1.030 614 R CA 0.232 56.230 56.100 -0.169 0.000 0.984 614 R CB 0.123 30.380 30.300 -0.072 0.000 0.961 614 R HN 0.792 nan 8.270 nan 0.000 0.433 615 Y N 1.381 121.692 120.300 0.018 0.000 2.340 615 Y HA 0.221 4.771 4.550 0.000 0.000 0.327 615 Y C 1.154 177.061 175.900 0.012 0.000 1.321 615 Y CA -0.471 57.642 58.100 0.021 0.000 1.433 615 Y CB 0.585 39.061 38.460 0.027 0.000 1.373 615 Y HN 0.564 nan 8.280 nan 0.000 0.538 616 E N 1.089 121.412 120.200 0.205 0.000 2.238 616 E HA 0.346 4.696 4.350 -0.000 0.000 0.264 616 E C 0.584 177.237 176.600 0.089 0.000 1.136 616 E CA 0.559 57.020 56.400 0.102 0.000 0.929 616 E CB -1.381 28.356 29.700 0.062 0.000 1.010 616 E HN 0.857 nan 8.360 nan 0.000 0.440 617 D N 1.850 122.292 120.400 0.070 0.000 4.317 617 D HA -0.231 4.409 4.640 -0.000 0.000 0.206 617 D C 2.417 178.769 176.300 0.086 0.000 0.647 617 D CA 3.919 57.954 54.000 0.059 0.000 1.051 617 D CB -1.757 39.066 40.800 0.038 0.000 0.501 617 D HN 2.224 nan 8.370 nan 0.000 0.419 618 G N -1.839 107.006 108.800 0.076 0.000 2.271 618 G HA2 0.222 4.182 3.960 -0.000 0.000 0.277 618 G HA3 0.222 4.182 3.960 -0.000 0.000 0.277 618 G C 1.798 176.768 174.900 0.116 0.000 1.004 618 G CA 3.118 48.275 45.100 0.095 0.000 0.679 618 G HN 3.094 nan 8.290 nan 0.000 0.540 619 R N -2.076 118.476 120.500 0.086 0.000 4.065 619 R HA 0.190 4.530 4.340 -0.000 0.000 0.330 619 R C 0.329 176.660 176.300 0.052 0.000 0.241 619 R CA 1.868 58.003 56.100 0.058 0.000 1.092 619 R CB -1.221 29.106 30.300 0.045 0.000 1.080 619 R HN 2.043 nan 8.270 nan 0.000 0.522 620 L N -0.428 120.803 121.223 0.013 0.000 2.470 620 L HA 0.765 5.105 4.340 -0.000 0.000 0.268 620 L C -0.899 175.921 176.870 -0.083 0.000 0.964 620 L CA -0.757 54.046 54.840 -0.062 0.000 0.839 620 L CB 2.510 44.525 42.059 -0.073 0.000 1.276 620 L HN 1.032 nan 8.230 nan 0.000 0.403 621 V N 3.017 122.829 119.914 -0.169 0.000 2.459 621 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 621 V C -0.252 175.616 176.094 -0.377 0.000 1.029 621 V CA -0.638 61.512 62.300 -0.249 0.000 0.874 621 V CB 1.535 33.211 31.823 -0.245 0.000 0.985 621 V HN 0.834 nan 8.190 nan 0.000 0.438 622 E N 2.685 122.690 120.200 -0.325 0.000 2.197 622 E HA 0.439 4.789 4.350 -0.000 0.000 0.281 622 E C -1.172 175.202 176.600 -0.378 0.000 0.995 622 E CA -0.664 55.574 56.400 -0.270 0.000 0.808 622 E CB 0.822 30.441 29.700 -0.135 0.000 1.093 622 E HN 0.854 nan 8.360 nan 0.000 0.394 623 H N 4.597 123.651 119.070 -0.028 0.000 2.551 623 H HA 0.323 4.879 4.556 -0.000 0.000 0.321 623 H C -2.296 173.013 175.328 -0.032 0.000 1.028 623 H CA -2.180 53.859 56.048 -0.016 0.000 1.215 623 H CB 1.098 30.857 29.762 -0.004 0.000 1.414 623 H HN 0.415 nan 8.280 nan 0.000 0.480 624 P HA 0.028 nan 4.420 nan 0.000 0.275 624 P C -0.755 176.542 177.300 -0.005 0.000 1.227 624 P CA -0.499 62.608 63.100 0.012 0.000 0.781 624 P CB 0.845 32.545 31.700 -0.001 0.000 0.906 625 L N 3.792 124.986 121.223 -0.047 0.000 2.265 625 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 625 L C 1.000 177.782 176.870 -0.146 0.000 1.033 625 L CA -0.277 54.502 54.840 -0.101 0.000 0.814 625 L CB 0.003 41.988 42.059 -0.123 0.000 1.203 625 L HN 0.329 nan 8.230 nan 0.000 0.423 626 R N 3.750 124.138 120.500 -0.187 0.000 2.502 626 R HA 0.120 4.460 4.340 -0.000 0.000 0.292 626 R C -0.180 175.892 176.300 -0.379 0.000 0.998 626 R CA 0.105 56.050 56.100 -0.259 0.000 1.056 626 R CB 0.493 30.613 30.300 -0.300 0.000 0.939 626 R HN 0.454 nan 8.270 nan 0.000 0.411 627 R N 3.339 123.659 120.500 -0.300 0.000 2.451 627 R HA 0.099 4.439 4.340 -0.000 0.000 0.307 627 R C -0.663 175.496 176.300 -0.234 0.000 0.965 627 R CA -0.828 55.060 56.100 -0.352 0.000 0.865 627 R CB 1.101 31.274 30.300 -0.210 0.000 1.174 627 R HN 0.676 nan 8.270 nan 0.000 0.455 628 Y N -0.027 120.158 120.300 -0.192 0.000 3.108 628 Y HA -0.366 4.184 4.550 -0.000 0.000 0.208 628 Y C 0.897 176.699 175.900 -0.164 0.000 1.245 628 Y CA 0.409 58.418 58.100 -0.151 0.000 1.171 628 Y CB -1.560 36.841 38.460 -0.098 0.000 1.331 628 Y HN 0.755 nan 8.280 nan 0.000 0.534 629 A N 1.214 123.959 122.820 -0.124 0.000 2.262 629 A HA 0.639 4.959 4.320 -0.000 0.000 0.275 629 A C 0.747 178.279 177.584 -0.086 0.000 1.402 629 A CA 0.485 52.451 52.037 -0.119 0.000 0.817 629 A CB 0.400 19.359 19.000 -0.070 0.000 1.271 629 A HN 0.533 nan 8.150 nan 0.000 0.520 630 R N -0.953 119.494 120.500 -0.088 0.000 2.564 630 R HA 0.502 4.842 4.340 -0.000 0.000 0.284 630 R C -0.748 175.547 176.300 -0.009 0.000 1.031 630 R CA -0.264 55.789 56.100 -0.078 0.000 0.904 630 R CB 1.502 31.677 30.300 -0.210 0.000 1.199 630 R HN 0.668 nan 8.270 nan 0.000 0.443 631 S N 1.114 116.830 115.700 0.027 0.000 2.617 631 S HA 0.078 4.548 4.470 -0.000 0.000 0.259 631 S C 1.003 175.603 174.600 0.001 0.000 1.301 631 S CA -0.462 57.739 58.200 0.002 0.000 0.984 631 S CB 0.709 63.914 63.200 0.009 0.000 0.954 631 S HN 0.811 nan 8.310 nan 0.000 0.572 632 N N 0.245 118.923 118.700 -0.036 0.000 2.364 632 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 632 N C 0.869 176.502 175.510 0.205 0.000 1.022 632 N CA 0.671 53.750 53.050 0.048 0.000 0.883 632 N CB 0.066 38.456 38.487 -0.162 0.000 0.965 632 N HN 0.477 nan 8.380 nan 0.000 0.438 633 Q N -1.108 118.750 119.800 0.097 0.000 2.194 633 Q HA 0.212 4.552 4.340 -0.000 0.000 0.214 633 Q C 0.791 176.892 176.000 0.168 0.000 0.838 633 Q CA 0.228 56.087 55.803 0.094 0.000 0.972 633 Q CB 1.323 30.008 28.738 -0.087 0.000 1.131 633 Q HN 0.278 nan 8.270 nan 0.000 0.498 634 G N 0.980 109.851 108.800 0.119 0.000 2.132 634 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.234 634 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.234 634 G C 0.827 175.786 174.900 0.100 0.000 0.989 634 G CA 0.742 45.888 45.100 0.077 0.000 0.676 634 G HN 0.304 nan 8.290 nan 0.000 0.522 635 T N 0.076 114.694 114.554 0.107 0.000 2.857 635 T HA 0.367 4.717 4.350 -0.000 0.000 0.266 635 T C 1.600 176.372 174.700 0.121 0.000 1.048 635 T CA 2.465 64.641 62.100 0.127 0.000 1.139 635 T CB -0.399 68.518 68.868 0.082 0.000 0.874 635 T HN 2.225 nan 8.240 nan 0.000 0.455 636 A N 0.754 123.632 122.820 0.096 0.000 2.331 636 A HA -0.089 4.231 4.320 -0.000 0.000 0.274 636 A C -0.064 177.600 177.584 0.134 0.000 1.395 636 A CA 0.293 52.391 52.037 0.101 0.000 0.721 636 A CB -2.551 16.514 19.000 0.109 0.000 1.160 636 A HN 0.693 nan 8.150 nan 0.000 0.345 637 F N 1.771 121.696 119.950 -0.042 0.000 2.404 637 F HA 0.722 5.249 4.527 0.000 0.000 0.345 637 F C -0.116 175.609 175.800 -0.124 0.000 1.110 637 F CA -0.202 57.755 58.000 -0.071 0.000 1.130 637 F CB 1.139 40.096 39.000 -0.072 0.000 1.129 637 F HN 0.646 nan 8.300 nan 0.000 0.500 638 D N 3.420 123.416 120.400 -0.672 0.000 2.661 638 D HA 0.288 4.928 4.640 -0.000 0.000 0.228 638 D C -1.882 174.062 176.300 -0.592 0.000 1.210 638 D CA -0.480 53.050 54.000 -0.783 0.000 0.826 638 D CB 1.987 42.283 40.800 -0.839 0.000 1.542 638 D HN 0.710 nan 8.370 nan 0.000 0.447 639 Q N 1.679 121.162 119.800 -0.529 0.000 2.274 639 Q HA 0.625 4.965 4.340 -0.000 0.000 0.260 639 Q C -0.420 175.415 176.000 -0.276 0.000 0.974 639 Q CA -0.942 54.661 55.803 -0.333 0.000 0.876 639 Q CB 2.491 31.067 28.738 -0.271 0.000 1.297 639 Q HN 0.316 nan 8.270 nan 0.000 0.446 640 R N 1.901 122.279 120.500 -0.204 0.000 2.599 640 R HA 0.501 4.840 4.340 -0.000 0.000 0.295 640 R C -2.619 173.602 176.300 -0.131 0.000 0.963 640 R CA -2.143 53.862 56.100 -0.158 0.000 0.883 640 R CB 1.623 31.846 30.300 -0.128 0.000 1.171 640 R HN 0.432 nan 8.270 nan 0.000 0.450 641 P HA 0.187 nan 4.420 nan 0.000 0.275 641 P C -0.324 176.925 177.300 -0.084 0.000 1.228 641 P CA -0.399 62.644 63.100 -0.094 0.000 0.786 641 P CB 0.975 32.631 31.700 -0.072 0.000 0.927 642 R N 0.901 121.348 120.500 -0.088 0.000 2.582 642 R HA 0.358 4.698 4.340 -0.000 0.000 0.453 642 R C -0.650 175.613 176.300 -0.063 0.000 0.969 642 R CA -0.260 55.795 56.100 -0.076 0.000 1.113 642 R CB 0.421 30.664 30.300 -0.094 0.000 1.507 642 R HN 0.291 nan 8.270 nan 0.000 0.587 643 V N 0.482 120.363 119.914 -0.055 0.000 3.040 643 V HA 0.479 4.599 4.120 -0.000 0.000 0.312 643 V C -0.424 175.650 176.094 -0.032 0.000 1.115 643 V CA -1.092 61.183 62.300 -0.042 0.000 0.998 643 V CB 3.303 35.100 31.823 -0.043 0.000 1.042 643 V HN -0.005 nan 8.190 nan 0.000 0.433 644 R N 1.047 121.533 120.500 -0.025 0.000 2.368 644 R HA 0.580 4.920 4.340 -0.000 0.000 0.302 644 R C -0.906 175.382 176.300 -0.020 0.000 1.002 644 R CA -0.445 55.643 56.100 -0.020 0.000 0.929 644 R CB 1.501 31.791 30.300 -0.015 0.000 1.073 644 R HN 0.551 nan 8.270 nan 0.000 0.464 645 V N 4.205 124.107 119.914 -0.020 0.000 2.442 645 V HA 0.221 4.341 4.120 -0.000 0.000 0.272 645 V C 0.799 176.882 176.094 -0.017 0.000 0.989 645 V CA 0.746 63.033 62.300 -0.020 0.000 1.123 645 V CB -0.471 31.340 31.823 -0.019 0.000 1.008 645 V HN 0.924 nan 8.190 nan 0.000 0.469 646 G N 4.349 113.138 108.800 -0.018 0.000 2.929 646 G HA2 0.067 4.027 3.960 -0.000 0.000 0.335 646 G HA3 0.067 4.027 3.960 -0.000 0.000 0.335 646 G C -0.660 174.234 174.900 -0.010 0.000 1.054 646 G CA -0.046 45.046 45.100 -0.014 0.000 1.067 646 G HN 1.411 nan 8.290 nan 0.000 0.472 647 Q N -2.217 117.579 119.800 -0.007 0.000 2.594 647 Q HA 0.825 5.165 4.340 -0.000 0.000 0.278 647 Q C -0.223 175.781 176.000 0.006 0.000 0.961 647 Q CA -0.473 55.330 55.803 -0.001 0.000 0.844 647 Q CB 0.575 29.312 28.738 -0.003 0.000 1.475 647 Q HN 1.673 nan 8.270 nan 0.000 0.389 648 R N 0.373 120.879 120.500 0.011 0.000 2.543 648 R HA 0.633 4.973 4.340 -0.000 0.000 0.277 648 R C 0.291 176.606 176.300 0.026 0.000 1.074 648 R CA 0.133 56.246 56.100 0.021 0.000 1.076 648 R CB 0.040 30.351 30.300 0.019 0.000 0.993 648 R HN 1.096 nan 8.270 nan 0.000 0.459 649 V N -1.029 118.910 119.914 0.043 0.000 2.881 649 V HA 0.626 4.746 4.120 -0.000 0.000 0.316 649 V C 0.323 176.444 176.094 0.045 0.000 1.070 649 V CA -1.115 61.215 62.300 0.049 0.000 0.976 649 V CB 2.202 34.073 31.823 0.079 0.000 1.038 649 V HN 0.814 nan 8.190 nan 0.000 0.446 650 K N 1.294 121.716 120.400 0.038 0.000 3.226 650 K HA 0.346 4.666 4.320 -0.000 0.000 0.268 650 K C 0.806 177.419 176.600 0.022 0.000 1.217 650 K CA 0.209 56.511 56.287 0.025 0.000 1.242 650 K CB -0.918 31.594 32.500 0.020 0.000 1.389 650 K HN 0.859 nan 8.250 nan 0.000 0.406 651 K N -1.467 118.947 120.400 0.022 0.000 3.456 651 K HA -0.266 4.054 4.320 -0.000 0.000 0.313 651 K C 0.445 177.038 176.600 -0.012 0.000 1.252 651 K CA 1.331 57.617 56.287 -0.002 0.000 0.991 651 K CB -0.726 31.767 32.500 -0.012 0.000 1.259 651 K HN 0.618 nan 8.250 nan 0.000 0.420 652 G N 0.300 109.111 108.800 0.018 0.000 3.298 652 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.226 652 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.226 652 G C -1.023 173.937 174.900 0.100 0.000 1.138 652 G CA -0.165 44.956 45.100 0.035 0.000 1.136 652 G HN 0.141 nan 8.290 nan 0.000 0.618 653 D N 0.249 120.705 120.400 0.094 0.000 2.348 653 D HA 0.652 5.292 4.640 -0.000 0.000 0.249 653 D C 1.428 177.788 176.300 0.101 0.000 1.110 653 D CA 0.314 54.382 54.000 0.113 0.000 0.967 653 D CB 1.213 42.035 40.800 0.037 0.000 1.139 653 D HN 0.946 nan 8.370 nan 0.000 0.466 654 L N 2.576 123.805 121.223 0.011 0.000 2.706 654 L HA -0.052 4.288 4.340 -0.000 0.000 0.282 654 L C 1.219 177.957 176.870 -0.221 0.000 1.219 654 L CA 0.432 55.085 54.840 -0.311 0.000 0.935 654 L CB -1.017 40.859 42.059 -0.305 0.000 1.204 654 L HN 0.509 nan 8.230 nan 0.000 0.491 655 L N 2.648 123.702 121.223 -0.282 0.000 2.316 655 L HA 0.671 5.011 4.340 -0.000 0.000 0.207 655 L C 1.218 177.971 176.870 -0.194 0.000 1.070 655 L CA 1.259 55.989 54.840 -0.183 0.000 0.820 655 L CB -0.105 41.851 42.059 -0.173 0.000 0.992 655 L HN 1.129 nan 8.230 nan 0.000 0.466 656 A N -1.806 120.852 122.820 -0.270 0.000 2.566 656 A HA 0.485 4.805 4.320 -0.000 0.000 0.297 656 A C -1.299 176.129 177.584 -0.259 0.000 1.059 656 A CA -0.753 51.152 52.037 -0.221 0.000 0.691 656 A CB 0.885 19.778 19.000 -0.178 0.000 1.282 656 A HN -0.059 nan 8.150 nan 0.000 0.401 657 D N 0.656 120.939 120.400 -0.196 0.000 2.329 657 D HA 0.497 5.137 4.640 -0.000 0.000 0.246 657 D C 1.055 177.272 176.300 -0.138 0.000 1.111 657 D CA 0.950 54.847 54.000 -0.170 0.000 0.941 657 D CB 1.758 42.485 40.800 -0.121 0.000 1.169 657 D HN 0.689 nan 8.370 nan 0.000 0.441 658 G N 0.536 109.286 108.800 -0.085 0.000 2.624 658 G HA2 0.188 4.148 3.960 -0.000 0.000 0.217 658 G HA3 0.188 4.148 3.960 -0.000 0.000 0.217 658 G C -1.793 173.103 174.900 -0.007 0.000 1.506 658 G CA -0.202 44.895 45.100 -0.006 0.000 1.072 658 G HN 0.341 nan 8.290 nan 0.000 0.568 659 P HA 0.194 nan 4.420 nan 0.000 0.218 659 P C 0.875 178.203 177.300 0.047 0.000 1.140 659 P CA 1.364 64.506 63.100 0.069 0.000 0.883 659 P CB 0.548 32.380 31.700 0.220 0.000 0.828 660 A N -0.705 122.149 122.820 0.057 0.000 2.640 660 A HA 0.402 4.722 4.320 -0.000 0.000 0.282 660 A C 0.645 178.253 177.584 0.039 0.000 1.357 660 A CA 0.041 52.106 52.037 0.047 0.000 0.946 660 A CB -0.790 18.243 19.000 0.055 0.000 1.065 660 A HN 0.129 nan 8.150 nan 0.000 0.541 661 S N 0.192 115.904 115.700 0.020 0.000 2.473 661 S HA 0.436 4.906 4.470 -0.000 0.000 0.307 661 S C -0.788 173.813 174.600 0.000 0.000 1.094 661 S CA -0.493 57.714 58.200 0.012 0.000 1.070 661 S CB 1.050 64.243 63.200 -0.012 0.000 1.019 661 S HN 0.469 nan 8.310 nan 0.000 0.480 662 E N 3.264 123.482 120.200 0.030 0.000 2.186 662 E HA 0.180 4.530 4.350 -0.000 0.000 0.255 662 E C -0.657 175.988 176.600 0.075 0.000 0.881 662 E CA -0.199 56.220 56.400 0.032 0.000 0.752 662 E CB 0.431 30.150 29.700 0.031 0.000 1.176 662 E HN 0.797 nan 8.360 nan 0.000 0.421 663 E N 2.503 122.712 120.200 0.015 0.000 2.586 663 E HA -0.248 4.102 4.350 -0.000 0.000 0.259 663 E C 0.470 177.016 176.600 -0.091 0.000 1.107 663 E CA 1.022 57.423 56.400 0.001 0.000 0.754 663 E CB -1.584 28.171 29.700 0.091 0.000 1.335 663 E HN 1.059 nan 8.360 nan 0.000 0.411 664 G N -0.616 108.109 108.800 -0.124 0.000 2.147 664 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.244 664 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.244 664 G C -0.074 174.637 174.900 -0.316 0.000 1.005 664 G CA 0.404 45.382 45.100 -0.205 0.000 0.713 664 G HN 0.275 nan 8.290 nan 0.000 0.515 665 F N -0.687 119.251 119.950 -0.019 0.000 2.477 665 F HA 0.540 5.067 4.527 -0.000 0.000 0.335 665 F C 0.536 176.310 175.800 -0.044 0.000 1.130 665 F CA -1.366 56.613 58.000 -0.035 0.000 0.948 665 F CB 1.630 40.598 39.000 -0.053 0.000 1.154 665 F HN 0.031 nan 8.300 nan 0.000 0.439 666 L N 4.441 125.755 121.223 0.153 0.000 2.700 666 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 666 L C 0.063 176.961 176.870 0.046 0.000 1.176 666 L CA 0.271 55.154 54.840 0.072 0.000 0.961 666 L CB -0.284 41.803 42.059 0.047 0.000 1.249 666 L HN 0.623 nan 8.230 nan 0.000 0.487 667 A N 6.896 129.753 122.820 0.063 0.000 2.644 667 A HA 0.486 4.806 4.320 -0.000 0.000 0.343 667 A C 0.424 178.097 177.584 0.149 0.000 1.324 667 A CA -0.491 51.595 52.037 0.082 0.000 0.846 667 A CB -0.054 18.977 19.000 0.051 0.000 1.128 667 A HN 0.829 nan 8.150 nan 0.000 0.484 668 L N 1.619 123.015 121.223 0.289 0.000 2.628 668 L HA 0.417 4.757 4.340 -0.000 0.000 0.229 668 L C 1.143 178.123 176.870 0.184 0.000 1.137 668 L CA 0.607 55.589 54.840 0.236 0.000 0.909 668 L CB 0.063 42.261 42.059 0.230 0.000 1.137 668 L HN 0.790 nan 8.230 nan 0.000 0.470 669 G N -0.885 108.052 108.800 0.228 0.000 2.348 669 G HA2 0.292 4.252 3.960 -0.000 0.000 0.296 669 G HA3 0.292 4.252 3.960 -0.000 0.000 0.296 669 G C -1.843 173.062 174.900 0.007 0.000 1.258 669 G CA -0.592 44.468 45.100 -0.066 0.000 0.868 669 G HN -0.049 nan 8.290 nan 0.000 0.488 670 Q N -0.405 119.266 119.800 -0.215 0.000 2.399 670 Q HA 0.484 4.824 4.340 -0.000 0.000 0.276 670 Q C -0.988 175.121 176.000 0.181 0.000 1.098 670 Q CA -0.926 54.806 55.803 -0.118 0.000 0.827 670 Q CB 2.109 30.469 28.738 -0.631 0.000 1.386 670 Q HN 0.659 nan 8.270 nan 0.000 0.443 671 N N -0.181 118.705 118.700 0.310 0.000 2.443 671 N HA 0.666 5.406 4.740 -0.000 0.000 0.295 671 N C -1.300 174.401 175.510 0.318 0.000 1.076 671 N CA -0.663 52.589 53.050 0.337 0.000 0.919 671 N CB 2.031 40.706 38.487 0.313 0.000 1.176 671 N HN 0.238 nan 8.380 nan 0.000 0.487 672 V N 1.041 121.100 119.914 0.242 0.000 3.147 672 V HA 0.387 4.507 4.120 -0.000 0.000 0.299 672 V C -1.494 174.642 176.094 0.070 0.000 1.302 672 V CA -1.024 61.383 62.300 0.177 0.000 1.015 672 V CB 2.267 34.232 31.823 0.237 0.000 1.086 672 V HN 0.663 nan 8.190 nan 0.000 0.437 673 L N 4.641 125.855 121.223 -0.015 0.000 2.319 673 L HA 0.657 4.997 4.340 -0.000 0.000 0.280 673 L C -0.292 176.526 176.870 -0.087 0.000 1.099 673 L CA 0.476 55.244 54.840 -0.120 0.000 0.828 673 L CB 1.454 43.367 42.059 -0.243 0.000 1.150 673 L HN 0.594 nan 8.230 nan 0.000 0.442 674 V N 5.107 124.968 119.914 -0.089 0.000 2.680 674 V HA 0.926 5.046 4.120 -0.000 0.000 0.309 674 V C -0.410 175.630 176.094 -0.090 0.000 1.052 674 V CA -0.252 62.004 62.300 -0.073 0.000 0.908 674 V CB 1.833 33.628 31.823 -0.047 0.000 1.001 674 V HN 0.922 nan 8.190 nan 0.000 0.431 675 A N 6.310 129.079 122.820 -0.085 0.000 2.305 675 A HA 0.829 5.149 4.320 -0.000 0.000 0.322 675 A C -0.505 177.030 177.584 -0.082 0.000 1.187 675 A CA -0.648 51.338 52.037 -0.085 0.000 0.825 675 A CB 0.718 19.668 19.000 -0.083 0.000 1.164 675 A HN 0.906 nan 8.150 nan 0.000 0.498 676 I N 3.788 124.308 120.570 -0.083 0.000 2.361 676 I HA 0.427 4.597 4.170 -0.000 0.000 0.282 676 I C 0.036 176.107 176.117 -0.076 0.000 1.075 676 I CA 0.292 61.546 61.300 -0.077 0.000 1.205 676 I CB -0.045 37.904 38.000 -0.085 0.000 1.406 676 I HN 0.836 nan 8.210 nan 0.000 0.481 677 M N 5.947 125.505 119.600 -0.069 0.000 2.790 677 M HA 0.623 5.103 4.480 -0.000 0.000 0.272 677 M C -3.191 173.094 176.300 -0.026 0.000 1.168 677 M CA -1.630 53.624 55.300 -0.077 0.000 0.829 677 M CB 2.538 35.045 32.600 -0.156 0.000 1.675 677 M HN -0.159 nan 8.290 nan 0.000 0.505 678 P HA 0.252 nan 4.420 nan 0.000 0.274 678 P C -0.988 176.389 177.300 0.127 0.000 1.231 678 P CA -0.044 63.086 63.100 0.050 0.000 0.790 678 P CB 0.966 32.682 31.700 0.026 0.000 0.951 679 F N 1.462 121.423 119.950 0.020 0.000 2.557 679 F HA 0.210 4.737 4.527 -0.000 0.000 0.203 679 F C 0.821 176.703 175.800 0.136 0.000 1.189 679 F CA 0.687 58.724 58.000 0.062 0.000 0.935 679 F CB -0.393 38.662 39.000 0.091 0.000 1.191 679 F HN 0.152 nan 8.300 nan 0.000 0.665 680 D N -0.357 120.198 120.400 0.259 0.000 2.980 680 D HA 0.353 4.992 4.640 -0.000 0.000 0.333 680 D C 0.450 176.778 176.300 0.047 0.000 1.356 680 D CA 0.763 54.839 54.000 0.127 0.000 0.847 680 D CB 0.282 41.175 40.800 0.155 0.000 1.122 680 D HN 0.670 nan 8.370 nan 0.000 0.475 681 G N -0.063 108.777 108.800 0.067 0.000 2.179 681 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.260 681 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.260 681 G C 0.859 175.728 174.900 -0.052 0.000 0.977 681 G CA 0.150 45.246 45.100 -0.006 0.000 0.641 681 G HN 0.438 nan 8.290 nan 0.000 0.533 682 Y N 1.107 121.501 120.300 0.157 0.000 2.457 682 Y HA 0.085 4.635 4.550 -0.000 0.000 0.292 682 Y C 2.080 178.060 175.900 0.134 0.000 1.125 682 Y CA 1.441 59.630 58.100 0.149 0.000 1.254 682 Y CB 0.145 38.721 38.460 0.194 0.000 1.012 682 Y HN 0.504 nan 8.280 nan 0.000 0.555 683 N N -0.767 118.091 118.700 0.264 0.000 2.380 683 N HA 0.022 4.762 4.740 -0.000 0.000 0.255 683 N C -0.498 175.097 175.510 0.142 0.000 1.158 683 N CA -0.394 52.753 53.050 0.161 0.000 0.878 683 N CB -1.020 37.531 38.487 0.108 0.000 1.138 683 N HN 0.103 nan 8.380 nan 0.000 0.509 684 F N 2.124 122.082 119.950 0.013 0.000 2.506 684 F HA 0.109 4.636 4.527 -0.000 0.000 0.351 684 F C 1.347 177.138 175.800 -0.015 0.000 1.136 684 F CA 0.314 58.306 58.000 -0.014 0.000 1.298 684 F CB 0.597 39.571 39.000 -0.044 0.000 1.145 684 F HN 0.077 nan 8.300 nan 0.000 0.593 685 E N 1.978 121.750 120.200 -0.713 0.000 3.498 685 E HA -0.398 3.952 4.350 -0.000 0.000 0.442 685 E C 0.566 177.066 176.600 -0.166 0.000 1.565 685 E CA 2.289 58.432 56.400 -0.429 0.000 1.284 685 E CB -0.970 28.584 29.700 -0.243 0.000 1.343 685 E HN 0.826 nan 8.360 nan 0.000 0.403 686 D N 0.386 120.750 120.400 -0.060 0.000 2.500 686 D HA 0.367 5.007 4.640 -0.000 0.000 0.217 686 D C 0.093 176.390 176.300 -0.004 0.000 1.159 686 D CA 0.631 54.609 54.000 -0.036 0.000 0.828 686 D CB 0.438 41.217 40.800 -0.035 0.000 1.039 686 D HN 0.317 nan 8.370 nan 0.000 0.512 687 A N 1.108 123.946 122.820 0.031 0.000 2.492 687 A HA 0.346 4.666 4.320 -0.000 0.000 0.236 687 A C 0.335 177.942 177.584 0.038 0.000 1.078 687 A CA 0.305 52.370 52.037 0.047 0.000 0.773 687 A CB 0.332 19.386 19.000 0.091 0.000 1.023 687 A HN 0.134 nan 8.150 nan 0.000 0.504 688 I N 0.597 121.181 120.570 0.024 0.000 2.689 688 I HA 0.456 4.626 4.170 -0.000 0.000 0.299 688 I C -0.686 175.432 176.117 0.001 0.000 1.059 688 I CA -0.716 60.583 61.300 -0.002 0.000 1.055 688 I CB 1.428 39.401 38.000 -0.045 0.000 1.243 688 I HN 0.259 nan 8.210 nan 0.000 0.425 689 V N 5.311 125.208 119.914 -0.028 0.000 2.435 689 V HA 0.469 4.589 4.120 -0.000 0.000 0.290 689 V C -0.037 175.994 176.094 -0.105 0.000 1.030 689 V CA -0.587 61.671 62.300 -0.070 0.000 0.881 689 V CB 2.221 33.958 31.823 -0.145 0.000 0.983 689 V HN 0.382 nan 8.190 nan 0.000 0.445 690 I N 2.877 123.389 120.570 -0.097 0.000 2.493 690 I HA 0.363 4.533 4.170 -0.000 0.000 0.298 690 I C 0.436 176.499 176.117 -0.090 0.000 0.998 690 I CA -0.254 60.998 61.300 -0.080 0.000 1.137 690 I CB 1.900 39.867 38.000 -0.054 0.000 1.310 690 I HN 0.606 nan 8.210 nan 0.000 0.445 691 S N 4.348 120.002 115.700 -0.076 0.000 2.439 691 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 691 S C 1.289 175.865 174.600 -0.041 0.000 1.170 691 S CA -0.460 57.698 58.200 -0.070 0.000 1.054 691 S CB 0.090 63.248 63.200 -0.070 0.000 0.956 691 S HN 0.701 nan 8.310 nan 0.000 0.490 692 E N 3.476 123.654 120.200 -0.037 0.000 2.273 692 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 692 E C 1.338 177.931 176.600 -0.012 0.000 1.002 692 E CA 1.656 58.046 56.400 -0.016 0.000 0.828 692 E CB -0.116 29.574 29.700 -0.016 0.000 0.747 692 E HN 0.813 nan 8.360 nan 0.000 0.491 693 E N 0.663 120.845 120.200 -0.030 0.000 2.284 693 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 693 E C 1.889 178.453 176.600 -0.061 0.000 1.008 693 E CA 1.120 57.493 56.400 -0.045 0.000 0.829 693 E CB -0.195 29.468 29.700 -0.061 0.000 0.744 693 E HN 0.437 nan 8.360 nan 0.000 0.491 694 L N -0.339 120.865 121.223 -0.032 0.000 2.007 694 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 694 L C 2.411 179.335 176.870 0.091 0.000 1.073 694 L CA 1.159 56.005 54.840 0.010 0.000 0.744 694 L CB -0.606 41.529 42.059 0.126 0.000 0.898 694 L HN 0.283 nan 8.230 nan 0.000 0.435 695 L N -0.073 121.201 121.223 0.085 0.000 1.990 695 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 695 L C 2.605 179.518 176.870 0.072 0.000 1.072 695 L CA 1.724 56.617 54.840 0.089 0.000 0.755 695 L CB -0.888 41.206 42.059 0.059 0.000 0.889 695 L HN 0.277 nan 8.230 nan 0.000 0.432 696 K N 0.201 120.624 120.400 0.039 0.000 2.089 696 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 696 K C 1.952 178.579 176.600 0.045 0.000 1.048 696 K CA 1.485 57.789 56.287 0.029 0.000 0.926 696 K CB -0.250 32.254 32.500 0.006 0.000 0.714 696 K HN 0.293 nan 8.250 nan 0.000 0.448 697 R N 1.070 121.600 120.500 0.050 0.000 2.325 697 R HA -0.024 4.316 4.340 -0.000 0.000 0.214 697 R C -0.326 176.099 176.300 0.209 0.000 0.961 697 R CA 0.108 56.266 56.100 0.095 0.000 1.086 697 R CB -0.138 30.155 30.300 -0.011 0.000 1.037 697 R HN 0.194 nan 8.270 nan 0.000 0.493 698 D N -0.151 120.344 120.400 0.158 0.000 2.702 698 D HA -0.241 4.399 4.640 -0.000 0.000 0.233 698 D C 0.254 176.667 176.300 0.189 0.000 1.164 698 D CA 0.716 54.803 54.000 0.144 0.000 0.638 698 D CB -0.675 40.179 40.800 0.091 0.000 1.041 698 D HN 0.131 nan 8.370 nan 0.000 0.422 699 F N -0.240 119.710 119.950 0.001 0.000 1.994 699 F HA -0.079 4.448 4.527 -0.000 0.000 0.293 699 F C 2.102 177.852 175.800 -0.084 0.000 1.276 699 F CA 0.992 58.952 58.000 -0.067 0.000 1.153 699 F CB -0.975 37.986 39.000 -0.066 0.000 0.968 699 F HN 0.054 nan 8.300 nan 0.000 0.496 700 Y N 0.496 120.905 120.300 0.181 0.000 2.715 700 Y HA -0.030 4.520 4.550 -0.000 0.000 0.332 700 Y C 1.050 176.969 175.900 0.032 0.000 1.213 700 Y CA 0.346 58.481 58.100 0.059 0.000 1.304 700 Y CB -1.278 37.222 38.460 0.068 0.000 1.041 700 Y HN 0.004 nan 8.280 nan 0.000 0.502 701 T N -1.559 113.070 114.554 0.125 0.000 2.832 701 T HA 0.399 4.749 4.350 -0.000 0.000 0.296 701 T C 0.180 174.919 174.700 0.064 0.000 0.968 701 T CA -0.471 61.685 62.100 0.093 0.000 1.107 701 T CB 1.280 70.197 68.868 0.080 0.000 0.916 701 T HN 0.204 nan 8.240 nan 0.000 0.517 702 S N 3.538 119.285 115.700 0.078 0.000 2.566 702 S HA 0.703 5.173 4.470 -0.000 0.000 0.298 702 S C -0.618 174.041 174.600 0.099 0.000 1.083 702 S CA -1.091 57.160 58.200 0.085 0.000 0.978 702 S CB 1.062 64.320 63.200 0.097 0.000 1.073 702 S HN 0.756 nan 8.310 nan 0.000 0.491 703 I N 2.519 123.158 120.570 0.115 0.000 2.353 703 I HA 0.420 4.590 4.170 -0.000 0.000 0.293 703 I C -0.139 176.087 176.117 0.181 0.000 0.992 703 I CA -0.428 60.948 61.300 0.125 0.000 1.268 703 I CB 1.321 39.385 38.000 0.106 0.000 1.387 703 I HN 0.927 nan 8.210 nan 0.000 0.478 704 H N 6.332 125.442 119.070 0.067 0.000 2.600 704 H HA 0.678 5.234 4.556 -0.000 0.000 0.357 704 H C -1.585 173.783 175.328 0.067 0.000 1.106 704 H CA -0.635 55.459 56.048 0.077 0.000 1.193 704 H CB 1.540 31.350 29.762 0.080 0.000 1.594 704 H HN 0.463 nan 8.280 nan 0.000 0.526 705 I N 3.797 124.091 120.570 -0.459 0.000 2.433 705 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 705 I C -0.383 175.403 176.117 -0.552 0.000 1.001 705 I CA -0.611 60.469 61.300 -0.367 0.000 1.119 705 I CB 1.851 39.755 38.000 -0.160 0.000 1.289 705 I HN 0.687 nan 8.210 nan 0.000 0.438 706 E N 5.912 125.900 120.200 -0.353 0.000 2.232 706 E HA 0.510 4.860 4.350 -0.000 0.000 0.264 706 E C -0.849 175.629 176.600 -0.205 0.000 0.973 706 E CA -0.756 55.478 56.400 -0.277 0.000 0.849 706 E CB 1.291 30.863 29.700 -0.213 0.000 1.198 706 E HN 0.394 nan 8.360 nan 0.000 0.407 707 R N 2.700 123.024 120.500 -0.293 0.000 2.621 707 R HA 0.322 4.662 4.340 -0.000 0.000 0.292 707 R C -1.650 174.345 176.300 -0.509 0.000 0.969 707 R CA -0.430 55.571 56.100 -0.164 0.000 0.887 707 R CB 0.588 31.026 30.300 0.230 0.000 1.180 707 R HN 0.612 nan 8.270 nan 0.000 0.450 708 Y N 0.714 120.979 120.300 -0.058 0.000 2.485 708 Y HA 0.471 5.021 4.550 -0.000 0.000 0.345 708 Y C 0.120 175.952 175.900 -0.114 0.000 0.998 708 Y CA -0.784 57.280 58.100 -0.060 0.000 1.059 708 Y CB 2.360 40.794 38.460 -0.043 0.000 1.234 708 Y HN 0.584 nan 8.280 nan 0.000 0.461 709 E N 2.368 122.623 120.200 0.092 0.000 2.343 709 E HA 0.728 5.078 4.350 -0.000 0.000 0.270 709 E C -1.901 174.711 176.600 0.021 0.000 0.895 709 E CA -0.953 55.456 56.400 0.014 0.000 0.767 709 E CB 2.993 32.695 29.700 0.004 0.000 1.248 709 E HN 0.709 nan 8.360 nan 0.000 0.440 710 I N 1.831 122.399 120.570 -0.003 0.000 2.743 710 I HA 0.282 4.452 4.170 -0.000 0.000 0.292 710 I C -1.282 174.829 176.117 -0.009 0.000 1.343 710 I CA -0.219 61.077 61.300 -0.006 0.000 1.038 710 I CB 1.772 39.762 38.000 -0.016 0.000 1.311 710 I HN 0.583 nan 8.210 nan 0.000 0.426 711 E N 4.695 124.892 120.200 -0.004 0.000 2.285 711 E HA 0.845 5.195 4.350 -0.000 0.000 0.254 711 E C -1.123 175.476 176.600 -0.001 0.000 1.011 711 E CA -1.211 55.188 56.400 -0.002 0.000 0.873 711 E CB 1.938 31.640 29.700 0.004 0.000 1.229 711 E HN 0.590 nan 8.360 nan 0.000 0.422 712 A N 1.416 124.239 122.820 0.005 0.000 2.402 712 A HA 0.526 4.846 4.320 -0.000 0.000 0.291 712 A C -0.969 176.626 177.584 0.019 0.000 1.051 712 A CA -0.775 51.269 52.037 0.010 0.000 0.716 712 A CB 0.847 19.852 19.000 0.008 0.000 1.223 712 A HN 0.567 nan 8.150 nan 0.000 0.425 713 R N 1.829 122.345 120.500 0.027 0.000 2.892 713 R HA 0.699 5.039 4.340 -0.000 0.000 0.265 713 R C -1.503 174.826 176.300 0.048 0.000 1.025 713 R CA -1.011 55.108 56.100 0.032 0.000 0.982 713 R CB 1.568 31.884 30.300 0.027 0.000 1.185 713 R HN 0.678 nan 8.270 nan 0.000 0.484 714 D N 1.160 121.585 120.400 0.043 0.000 2.181 714 D HA 0.432 5.072 4.640 -0.000 0.000 0.248 714 D C -0.376 175.945 176.300 0.036 0.000 1.020 714 D CA -0.397 53.632 54.000 0.048 0.000 0.891 714 D CB 2.041 42.860 40.800 0.032 0.000 1.187 714 D HN 0.546 nan 8.370 nan 0.000 0.443 715 T N -2.082 112.493 114.554 0.036 0.000 2.792 715 T HA 0.454 4.804 4.350 -0.000 0.000 0.303 715 T C 1.285 175.983 174.700 -0.004 0.000 1.310 715 T CA -0.551 61.561 62.100 0.020 0.000 1.007 715 T CB 1.246 70.133 68.868 0.032 0.000 1.335 715 T HN 0.377 nan 8.240 nan 0.000 0.504 716 K N 0.263 120.657 120.400 -0.010 0.000 2.184 716 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 716 K C 1.778 178.346 176.600 -0.055 0.000 1.048 716 K CA 2.467 58.738 56.287 -0.027 0.000 0.931 716 K CB -1.515 30.975 32.500 -0.016 0.000 0.718 716 K HN 0.641 nan 8.250 nan 0.000 0.465 717 L N -1.615 119.583 121.223 -0.042 0.000 2.592 717 L HA 0.387 4.727 4.340 -0.000 0.000 0.227 717 L C 1.214 177.932 176.870 -0.254 0.000 1.127 717 L CA 0.431 55.223 54.840 -0.080 0.000 0.884 717 L CB 0.202 42.276 42.059 0.025 0.000 1.065 717 L HN 0.790 nan 8.230 nan 0.000 0.457 718 G N -0.298 108.383 108.800 -0.198 0.000 2.343 718 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.465 718 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.465 718 G C -3.217 171.743 174.900 0.099 0.000 1.282 718 G CA -0.991 43.916 45.100 -0.321 0.000 0.996 718 G HN -0.221 nan 8.290 nan 0.000 0.521 719 P HA 0.441 nan 4.420 nan 0.000 0.288 719 P C -0.503 176.972 177.300 0.292 0.000 1.267 719 P CA -0.179 63.073 63.100 0.254 0.000 0.815 719 P CB 1.634 33.447 31.700 0.188 0.000 0.989 720 E N 2.291 122.574 120.200 0.138 0.000 2.344 720 E HA 0.121 4.471 4.350 -0.000 0.000 0.270 720 E C -0.063 176.545 176.600 0.013 0.000 1.021 720 E CA 0.093 56.519 56.400 0.042 0.000 0.887 720 E CB 0.395 30.111 29.700 0.027 0.000 0.997 720 E HN 0.228 nan 8.360 nan 0.000 0.429 721 R N 3.698 124.171 120.500 -0.046 0.000 2.480 721 R HA 0.317 4.657 4.340 -0.000 0.000 0.306 721 R C -0.456 175.816 176.300 -0.046 0.000 0.958 721 R CA -0.841 55.236 56.100 -0.037 0.000 0.861 721 R CB 1.141 31.410 30.300 -0.053 0.000 1.171 721 R HN 0.517 nan 8.270 nan 0.000 0.445 722 I N 3.634 124.188 120.570 -0.027 0.000 2.397 722 I HA 0.028 4.198 4.170 -0.000 0.000 0.291 722 I C 1.228 177.328 176.117 -0.029 0.000 1.125 722 I CA 0.744 62.027 61.300 -0.028 0.000 1.961 722 I CB -0.092 37.896 38.000 -0.019 0.000 1.508 722 I HN 0.736 nan 8.210 nan 0.000 0.886 723 T N 1.673 116.202 114.554 -0.041 0.000 2.770 723 T HA 0.308 4.658 4.350 -0.000 0.000 0.281 723 T C 1.175 175.855 174.700 -0.032 0.000 0.981 723 T CA -0.443 61.635 62.100 -0.037 0.000 0.955 723 T CB 0.551 69.388 68.868 -0.051 0.000 1.060 723 T HN 0.433 nan 8.240 nan 0.000 0.531 724 R N -0.432 120.052 120.500 -0.026 0.000 2.476 724 R HA 0.136 4.476 4.340 -0.000 0.000 0.276 724 R C -0.497 175.789 176.300 -0.023 0.000 0.941 724 R CA -0.020 56.066 56.100 -0.023 0.000 1.088 724 R CB 0.458 30.748 30.300 -0.017 0.000 1.216 724 R HN 0.586 nan 8.270 nan 0.000 0.533 725 D N 1.810 122.195 120.400 -0.026 0.000 2.767 725 D HA 0.122 4.762 4.640 -0.000 0.000 0.241 725 D C -0.246 176.037 176.300 -0.029 0.000 1.187 725 D CA -0.308 53.678 54.000 -0.023 0.000 0.999 725 D CB 0.039 40.828 40.800 -0.020 0.000 1.042 725 D HN 0.125 nan 8.370 nan 0.000 0.510 726 I N 3.012 123.566 120.570 -0.026 0.000 2.556 726 I HA 0.187 4.357 4.170 -0.000 0.000 0.284 726 I C -1.692 174.421 176.117 -0.006 0.000 1.114 726 I CA -2.265 59.018 61.300 -0.027 0.000 1.418 726 I CB 0.044 38.028 38.000 -0.026 0.000 1.394 726 I HN 0.150 nan 8.210 nan 0.000 0.552 727 P HA 0.073 nan 4.420 nan 0.000 0.272 727 P C -0.162 177.213 177.300 0.125 0.000 1.223 727 P CA 0.082 63.209 63.100 0.046 0.000 0.784 727 P CB 0.387 32.096 31.700 0.015 0.000 0.923 728 H N -2.245 116.809 119.070 -0.026 0.000 2.992 728 H HA -0.137 4.419 4.556 0.000 0.000 0.266 728 H C -0.831 174.482 175.328 -0.024 0.000 1.200 728 H CA 0.511 56.545 56.048 -0.023 0.000 1.135 728 H CB -1.933 27.814 29.762 -0.025 0.000 1.282 728 H HN 0.196 nan 8.280 nan 0.000 0.351 729 L N 0.508 121.749 121.223 0.029 0.000 2.365 729 L HA 0.459 4.799 4.340 -0.000 0.000 0.273 729 L C 0.473 177.331 176.870 -0.019 0.000 1.000 729 L CA -0.038 54.803 54.840 0.002 0.000 0.819 729 L CB 1.712 43.775 42.059 0.006 0.000 1.284 729 L HN 0.272 nan 8.230 nan 0.000 0.418 730 S N 1.067 116.752 115.700 -0.025 0.000 2.598 730 S HA 0.096 4.566 4.470 -0.000 0.000 0.256 730 S C 0.802 175.391 174.600 -0.020 0.000 1.350 730 S CA -0.262 57.922 58.200 -0.026 0.000 0.984 730 S CB 0.571 63.755 63.200 -0.025 0.000 0.930 730 S HN 0.683 nan 8.310 nan 0.000 0.577 731 E N 0.417 120.606 120.200 -0.018 0.000 2.299 731 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 731 E C 2.246 178.837 176.600 -0.015 0.000 0.998 731 E CA 0.777 57.168 56.400 -0.015 0.000 0.851 731 E CB -0.491 29.202 29.700 -0.013 0.000 0.795 731 E HN 0.771 nan 8.360 nan 0.000 0.492 732 A N 1.384 124.194 122.820 -0.016 0.000 1.917 732 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 732 A C 2.383 179.957 177.584 -0.017 0.000 1.182 732 A CA 2.075 54.102 52.037 -0.016 0.000 0.633 732 A CB -0.519 18.471 19.000 -0.017 0.000 0.819 732 A HN 0.291 nan 8.150 nan 0.000 0.448 733 A N -0.423 122.386 122.820 -0.019 0.000 1.898 733 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 733 A C 2.004 179.575 177.584 -0.021 0.000 1.181 733 A CA 1.471 53.495 52.037 -0.021 0.000 0.620 733 A CB -0.490 18.498 19.000 -0.020 0.000 0.819 733 A HN 0.519 nan 8.150 nan 0.000 0.442 734 L N -2.026 119.187 121.223 -0.018 0.000 2.529 734 L HA 0.169 4.509 4.340 -0.000 0.000 0.223 734 L C 2.176 179.038 176.870 -0.014 0.000 1.113 734 L CA 0.151 54.980 54.840 -0.017 0.000 0.861 734 L CB -0.351 41.699 42.059 -0.015 0.000 1.012 734 L HN 0.262 nan 8.230 nan 0.000 0.461 735 R N 0.894 121.386 120.500 -0.013 0.000 2.265 735 R HA -0.255 4.085 4.340 -0.000 0.000 0.268 735 R C 0.827 177.122 176.300 -0.009 0.000 1.178 735 R CA 2.094 58.188 56.100 -0.011 0.000 1.005 735 R CB -0.120 30.173 30.300 -0.011 0.000 0.891 735 R HN 0.352 nan 8.270 nan 0.000 0.472 736 D N -1.137 119.257 120.400 -0.011 0.000 2.433 736 D HA 0.139 4.779 4.640 -0.000 0.000 0.211 736 D C -0.547 175.748 176.300 -0.008 0.000 1.114 736 D CA 0.135 54.130 54.000 -0.009 0.000 0.837 736 D CB 0.440 41.234 40.800 -0.009 0.000 0.984 736 D HN 0.146 nan 8.370 nan 0.000 0.505 737 L N 1.924 123.141 121.223 -0.011 0.000 2.282 737 L HA 0.346 4.686 4.340 -0.000 0.000 0.288 737 L C 0.402 177.267 176.870 -0.008 0.000 1.033 737 L CA -1.245 53.588 54.840 -0.011 0.000 0.807 737 L CB 1.139 43.188 42.059 -0.016 0.000 1.209 737 L HN -0.140 nan 8.230 nan 0.000 0.423 738 D N 1.207 121.604 120.400 -0.005 0.000 2.362 738 D HA -0.111 4.529 4.640 -0.000 0.000 0.238 738 D C 0.168 176.465 176.300 -0.004 0.000 1.212 738 D CA -0.377 53.621 54.000 -0.003 0.000 0.902 738 D CB 0.742 41.542 40.800 0.000 0.000 1.180 738 D HN 0.535 nan 8.370 nan 0.000 0.445 739 E N -0.373 119.825 120.200 -0.003 0.000 1.855 739 E HA 0.033 4.383 4.350 -0.000 0.000 0.259 739 E C -0.121 176.477 176.600 -0.003 0.000 1.229 739 E CA 0.477 56.876 56.400 -0.003 0.000 1.042 739 E CB -0.382 29.318 29.700 -0.001 0.000 1.079 739 E HN 0.551 nan 8.360 nan 0.000 0.434 740 E N 1.673 121.869 120.200 -0.006 0.000 1.691 740 E HA 0.118 4.468 4.350 -0.000 0.000 0.228 740 E C 0.739 177.332 176.600 -0.013 0.000 1.065 740 E CA 0.733 57.129 56.400 -0.007 0.000 1.388 740 E CB -0.291 29.406 29.700 -0.004 0.000 4.221 740 E HN 0.401 nan 8.360 nan 0.000 0.873 741 G N 0.894 109.685 108.800 -0.015 0.000 2.143 741 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.175 741 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.175 741 G C -0.149 174.737 174.900 -0.022 0.000 1.004 741 G CA 0.113 45.201 45.100 -0.021 0.000 0.671 741 G HN 0.176 nan 8.290 nan 0.000 0.512 742 I N 0.663 121.223 120.570 -0.017 0.000 2.509 742 I HA 0.459 4.629 4.170 -0.000 0.000 0.293 742 I C 1.053 177.163 176.117 -0.013 0.000 1.020 742 I CA -1.373 59.916 61.300 -0.018 0.000 1.088 742 I CB 2.090 40.080 38.000 -0.016 0.000 1.267 742 I HN -0.096 nan 8.210 nan 0.000 0.430 743 V N 4.956 124.862 119.914 -0.014 0.000 3.061 743 V HA 0.074 4.194 4.120 -0.000 0.000 0.306 743 V C 1.135 177.230 176.094 0.002 0.000 1.118 743 V CA 0.150 62.446 62.300 -0.007 0.000 1.231 743 V CB 0.533 32.351 31.823 -0.007 0.000 0.956 743 V HN 0.934 nan 8.190 nan 0.000 0.499 744 R N 4.324 124.827 120.500 0.005 0.000 2.637 744 R HA 0.439 4.779 4.340 -0.000 0.000 0.269 744 R C -0.091 176.220 176.300 0.019 0.000 1.089 744 R CA -0.593 55.514 56.100 0.010 0.000 1.177 744 R CB 0.078 30.382 30.300 0.007 0.000 1.091 744 R HN 0.587 nan 8.270 nan 0.000 0.540 745 I N 1.582 122.166 120.570 0.023 0.000 2.618 745 I HA 0.292 4.462 4.170 -0.000 0.000 0.284 745 I C 1.571 177.701 176.117 0.022 0.000 1.146 745 I CA 1.485 62.803 61.300 0.030 0.000 1.425 745 I CB 0.441 38.460 38.000 0.032 0.000 1.383 745 I HN 1.081 nan 8.210 nan 0.000 0.562 746 G N 5.041 113.855 108.800 0.025 0.000 2.212 746 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.255 746 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.255 746 G C 0.266 175.174 174.900 0.013 0.000 1.062 746 G CA 0.065 45.174 45.100 0.015 0.000 0.815 746 G HN 1.044 nan 8.290 nan 0.000 0.497 747 A N -0.234 122.596 122.820 0.018 0.000 2.301 747 A HA 0.717 5.037 4.320 -0.000 0.000 0.298 747 A C 0.428 178.021 177.584 0.016 0.000 1.185 747 A CA -0.009 52.036 52.037 0.013 0.000 0.830 747 A CB 0.638 19.644 19.000 0.010 0.000 1.112 747 A HN 0.631 nan 8.150 nan 0.000 0.508 748 E N 1.916 122.123 120.200 0.011 0.000 2.328 748 E HA 0.341 4.691 4.350 -0.000 0.000 0.265 748 E C -1.156 175.450 176.600 0.010 0.000 1.057 748 E CA 0.050 56.458 56.400 0.013 0.000 0.916 748 E CB 0.464 30.169 29.700 0.009 0.000 0.993 748 E HN 0.355 nan 8.360 nan 0.000 0.446 749 V N 4.083 124.006 119.914 0.016 0.000 2.409 749 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 749 V C 0.454 176.548 176.094 0.001 0.000 1.020 749 V CA -0.271 62.030 62.300 0.003 0.000 0.848 749 V CB 1.136 32.962 31.823 0.005 0.000 0.990 749 V HN 0.740 nan 8.190 nan 0.000 0.430 750 K N 6.463 126.854 120.400 -0.015 0.000 2.177 750 K HA 0.847 5.167 4.320 -0.000 0.000 0.238 750 K C -2.939 173.636 176.600 -0.041 0.000 1.015 750 K CA -1.978 54.298 56.287 -0.017 0.000 0.922 750 K CB 0.449 32.939 32.500 -0.016 0.000 1.127 750 K HN 0.532 nan 8.250 nan 0.000 0.469 751 P HA 0.319 nan 4.420 nan 0.000 0.276 751 P C 0.773 178.022 177.300 -0.085 0.000 1.243 751 P CA 1.334 64.388 63.100 -0.075 0.000 0.768 751 P CB 1.036 32.691 31.700 -0.076 0.000 0.856 752 G N 2.717 111.455 108.800 -0.103 0.000 2.308 752 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.221 752 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.221 752 G C -0.076 174.774 174.900 -0.084 0.000 1.032 752 G CA -0.390 44.654 45.100 -0.093 0.000 0.623 752 G HN 0.499 nan 8.290 nan 0.000 0.506 753 D N 1.876 122.230 120.400 -0.077 0.000 2.472 753 D HA 0.344 4.984 4.640 -0.000 0.000 0.237 753 D C 1.318 177.571 176.300 -0.079 0.000 1.141 753 D CA 0.031 53.991 54.000 -0.066 0.000 0.875 753 D CB 0.493 41.262 40.800 -0.052 0.000 1.192 753 D HN 0.327 nan 8.370 nan 0.000 0.450 754 I N 3.242 123.774 120.570 -0.063 0.000 2.587 754 I HA -0.065 4.105 4.170 -0.000 0.000 0.284 754 I C 1.383 177.460 176.117 -0.068 0.000 1.134 754 I CA 0.213 61.474 61.300 -0.065 0.000 1.410 754 I CB 0.452 38.423 38.000 -0.049 0.000 1.392 754 I HN 0.413 nan 8.210 nan 0.000 0.545 755 L N 6.541 127.711 121.223 -0.087 0.000 2.269 755 L HA 0.189 4.529 4.340 -0.000 0.000 0.200 755 L C 0.211 177.047 176.870 -0.057 0.000 1.069 755 L CA 0.824 55.616 54.840 -0.082 0.000 0.804 755 L CB 0.458 42.437 42.059 -0.132 0.000 0.987 755 L HN 0.354 nan 8.230 nan 0.000 0.468 756 V N -0.199 119.680 119.914 -0.059 0.000 2.655 756 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 756 V C -0.090 175.976 176.094 -0.046 0.000 1.082 756 V CA -0.737 61.535 62.300 -0.045 0.000 0.899 756 V CB 1.486 33.284 31.823 -0.041 0.000 1.014 756 V HN 0.176 nan 8.190 nan 0.000 0.429 757 G N 4.034 112.810 108.800 -0.041 0.000 2.390 757 G HA2 0.689 4.649 3.960 -0.000 0.000 0.270 757 G HA3 0.689 4.649 3.960 -0.000 0.000 0.270 757 G C -0.490 174.384 174.900 -0.044 0.000 1.211 757 G CA -0.309 44.766 45.100 -0.043 0.000 0.842 757 G HN 0.772 nan 8.290 nan 0.000 0.519 758 R N 0.425 120.894 120.500 -0.052 0.000 2.604 758 R HA 0.480 4.820 4.340 -0.000 0.000 0.261 758 R C -1.603 174.651 176.300 -0.077 0.000 1.080 758 R CA -0.567 55.498 56.100 -0.058 0.000 0.917 758 R CB 1.647 31.920 30.300 -0.045 0.000 1.252 758 R HN 0.689 nan 8.270 nan 0.000 0.456 759 T N 0.405 114.895 114.554 -0.107 0.000 2.892 759 T HA 0.432 4.781 4.350 -0.000 0.000 0.311 759 T C -0.343 174.230 174.700 -0.213 0.000 1.033 759 T CA -0.576 61.426 62.100 -0.162 0.000 0.991 759 T CB 1.323 70.067 68.868 -0.207 0.000 0.981 759 T HN 0.422 nan 8.240 nan 0.000 0.457 760 S N 2.376 117.989 115.700 -0.145 0.000 2.614 760 S HA 0.495 4.965 4.470 -0.000 0.000 0.265 760 S C 0.356 174.859 174.600 -0.162 0.000 1.303 760 S CA -0.668 57.475 58.200 -0.093 0.000 1.000 760 S CB 0.435 63.626 63.200 -0.015 0.000 0.935 760 S HN 0.624 nan 8.310 nan 0.000 0.551 761 F N 0.929 120.872 119.950 -0.012 0.000 2.164 761 F HA 0.234 4.761 4.527 -0.000 0.000 0.287 761 F C 0.838 176.630 175.800 -0.015 0.000 1.086 761 F CA 0.422 58.415 58.000 -0.012 0.000 1.249 761 F CB -0.045 38.951 39.000 -0.008 0.000 1.059 761 F HN 0.391 nan 8.300 nan 0.000 0.490 762 K N 0.415 120.929 120.400 0.189 0.000 6.729 762 K HA -0.175 4.145 4.320 -0.000 0.000 0.698 762 K C 0.120 176.767 176.600 0.080 0.000 2.405 762 K CA 0.639 56.982 56.287 0.093 0.000 1.737 762 K CB -1.151 31.374 32.500 0.043 0.000 1.870 762 K HN 0.503 nan 8.250 nan 0.000 0.294 763 G N 3.003 111.836 108.800 0.054 0.000 4.291 763 G HA2 0.206 4.166 3.960 -0.000 0.000 0.304 763 G HA3 0.206 4.166 3.960 -0.000 0.000 0.304 763 G C -0.178 174.735 174.900 0.021 0.000 1.264 763 G CA -0.416 44.707 45.100 0.039 0.000 1.039 763 G HN 0.479 nan 8.290 nan 0.000 0.578 764 E N 1.506 121.716 120.200 0.016 0.000 2.070 764 E HA 0.125 4.475 4.350 -0.000 0.000 0.249 764 E C 0.782 177.385 176.600 0.006 0.000 1.247 764 E CA 0.428 56.832 56.400 0.007 0.000 1.009 764 E CB -0.504 29.196 29.700 0.001 0.000 1.093 764 E HN 0.611 nan 8.360 nan 0.000 0.443 765 Q N 0.847 120.651 119.800 0.006 0.000 0.407 765 Q HA -0.204 4.136 4.340 -0.000 0.000 0.313 765 Q C -0.859 175.146 176.000 0.008 0.000 1.086 765 Q CA 0.858 56.664 55.803 0.005 0.000 0.270 765 Q CB 0.047 28.787 28.738 0.004 0.000 5.580 765 Q HN 0.455 nan 8.270 nan 0.000 0.313 766 E N 1.677 121.881 120.200 0.008 0.000 2.165 766 E HA 0.352 4.702 4.350 -0.000 0.000 0.266 766 E C -2.337 174.269 176.600 0.010 0.000 0.889 766 E CA -1.752 54.654 56.400 0.010 0.000 0.756 766 E CB 1.289 30.994 29.700 0.009 0.000 1.131 766 E HN 0.292 nan 8.360 nan 0.000 0.411 767 P HA -0.080 nan 4.420 nan 0.000 0.255 767 P C 0.115 177.424 177.300 0.014 0.000 1.161 767 P CA 0.583 63.691 63.100 0.014 0.000 0.768 767 P CB -0.163 31.547 31.700 0.018 0.000 0.746 768 S N 6.522 122.230 115.700 0.013 0.000 2.566 768 S HA 0.220 4.690 4.470 -0.000 0.000 0.280 768 S C -1.408 173.202 174.600 0.017 0.000 1.343 768 S CA -0.889 57.319 58.200 0.013 0.000 1.036 768 S CB -0.801 62.406 63.200 0.011 0.000 0.866 768 S HN 0.347 nan 8.310 nan 0.000 0.526 769 P HA 0.196 nan 4.420 nan 0.000 0.274 769 P C 0.180 177.494 177.300 0.023 0.000 1.264 769 P CA 0.208 63.320 63.100 0.019 0.000 0.795 769 P CB 0.219 31.928 31.700 0.015 0.000 1.064 770 E N -1.364 118.853 120.200 0.028 0.000 4.540 770 E HA -0.317 4.033 4.350 -0.000 0.000 0.175 770 E C 1.149 177.778 176.600 0.048 0.000 1.236 770 E CA 2.070 58.492 56.400 0.036 0.000 2.396 770 E CB -2.098 27.619 29.700 0.030 0.000 1.797 770 E HN 0.799 nan 8.360 nan 0.000 0.437 771 E N 1.239 121.463 120.200 0.040 0.000 2.512 771 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 771 E C 1.693 178.324 176.600 0.052 0.000 1.083 771 E CA 0.584 57.011 56.400 0.045 0.000 0.873 771 E CB 0.232 29.949 29.700 0.029 0.000 0.897 771 E HN 0.193 nan 8.360 nan 0.000 0.514 772 R N 0.325 120.854 120.500 0.048 0.000 2.195 772 R HA 0.112 4.452 4.340 -0.000 0.000 0.197 772 R C 2.371 178.705 176.300 0.057 0.000 0.990 772 R CA 0.922 57.051 56.100 0.049 0.000 1.048 772 R CB -0.415 29.905 30.300 0.034 0.000 0.997 772 R HN 0.370 nan 8.270 nan 0.000 0.502 773 L N 1.334 122.590 121.223 0.054 0.000 1.990 773 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 773 L C 2.624 179.546 176.870 0.087 0.000 1.072 773 L CA 2.311 57.181 54.840 0.050 0.000 0.755 773 L CB -1.852 40.234 42.059 0.044 0.000 0.889 773 L HN 0.238 nan 8.230 nan 0.000 0.432 774 L N -1.934 119.389 121.223 0.167 0.000 2.056 774 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 774 L C 2.793 179.874 176.870 0.352 0.000 1.078 774 L CA 1.692 56.756 54.840 0.372 0.000 0.749 774 L CB -0.944 41.318 42.059 0.338 0.000 0.901 774 L HN 0.378 nan 8.230 nan 0.000 0.433 775 R N 0.735 121.344 120.500 0.181 0.000 2.120 775 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 775 R C 2.681 179.050 176.300 0.114 0.000 1.123 775 R CA 1.689 57.871 56.100 0.137 0.000 0.975 775 R CB -0.248 30.102 30.300 0.084 0.000 0.866 775 R HN 0.701 nan 8.270 nan 0.000 0.446 776 S N 0.203 115.950 115.700 0.078 0.000 2.336 776 S HA -0.060 4.410 4.470 -0.000 0.000 0.216 776 S C 2.006 176.602 174.600 -0.007 0.000 1.032 776 S CA 0.535 58.755 58.200 0.032 0.000 0.973 776 S CB -0.471 62.736 63.200 0.011 0.000 0.888 776 S HN 0.175 nan 8.310 nan 0.000 0.455 777 I N 0.723 121.252 120.570 -0.069 0.000 2.151 777 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 777 I C 1.830 177.724 176.117 -0.371 0.000 1.080 777 I CA 1.713 62.844 61.300 -0.282 0.000 1.339 777 I CB -0.323 37.389 38.000 -0.481 0.000 1.039 777 I HN 0.242 nan 8.210 nan 0.000 0.409 778 F N -0.438 119.515 119.950 0.005 0.000 2.776 778 F HA 0.242 4.769 4.527 -0.000 0.000 0.300 778 F C 1.839 177.641 175.800 0.004 0.000 1.116 778 F CA 0.658 58.660 58.000 0.004 0.000 1.375 778 F CB 0.225 39.228 39.000 0.004 0.000 1.109 778 F HN 0.183 nan 8.300 nan 0.000 0.585 779 G N -0.383 108.493 108.800 0.128 0.000 2.784 779 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.204 779 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.204 779 G C 0.527 175.472 174.900 0.076 0.000 1.300 779 G CA -0.247 44.899 45.100 0.076 0.000 0.863 779 G HN 0.392 nan 8.290 nan 0.000 0.541 780 E N 2.000 122.255 120.200 0.090 0.000 2.188 780 E HA 0.491 4.841 4.350 -0.000 0.000 0.243 780 E C 0.579 177.221 176.600 0.069 0.000 1.269 780 E CA 1.711 58.153 56.400 0.071 0.000 0.979 780 E CB -1.452 28.288 29.700 0.066 0.000 1.076 780 E HN 1.840 nan 8.360 nan 0.000 0.452 781 K N 0.907 121.341 120.400 0.056 0.000 2.355 781 K HA 0.713 5.033 4.320 -0.000 0.000 0.270 781 K C 0.827 177.456 176.600 0.048 0.000 1.003 781 K CA 0.057 56.373 56.287 0.049 0.000 0.957 781 K CB 0.652 33.175 32.500 0.038 0.000 0.939 781 K HN 1.659 nan 8.250 nan 0.000 0.482 782 A N 2.228 125.074 122.820 0.043 0.000 2.536 782 A HA 0.432 4.752 4.320 -0.000 0.000 0.234 782 A C 0.323 177.928 177.584 0.035 0.000 1.076 782 A CA 0.112 52.171 52.037 0.038 0.000 0.769 782 A CB 0.162 19.182 19.000 0.034 0.000 1.020 782 A HN 0.737 nan 8.150 nan 0.000 0.508 783 R N -0.059 120.457 120.500 0.027 0.000 2.854 783 R HA 0.341 4.681 4.340 -0.000 0.000 0.271 783 R C -1.119 175.200 176.300 0.031 0.000 0.994 783 R CA -0.715 55.400 56.100 0.024 0.000 0.945 783 R CB 1.563 31.868 30.300 0.009 0.000 1.194 783 R HN 0.775 nan 8.270 nan 0.000 0.476 784 D N 0.506 120.936 120.400 0.049 0.000 2.424 784 D HA 0.194 4.834 4.640 -0.000 0.000 0.220 784 D C -0.790 175.546 176.300 0.060 0.000 1.150 784 D CA 0.191 54.258 54.000 0.113 0.000 0.831 784 D CB 0.712 41.642 40.800 0.216 0.000 0.981 784 D HN -0.033 nan 8.370 nan 0.000 0.500 785 V N 0.537 120.418 119.914 -0.055 0.000 2.808 785 V HA 0.261 4.381 4.120 -0.000 0.000 0.308 785 V C -0.369 175.648 176.094 -0.128 0.000 1.099 785 V CA -0.869 61.324 62.300 -0.179 0.000 0.920 785 V CB 3.031 34.688 31.823 -0.276 0.000 1.014 785 V HN -0.213 nan 8.190 nan 0.000 0.425 786 K N 2.325 122.645 120.400 -0.134 0.000 2.106 786 K HA 0.342 4.662 4.320 -0.000 0.000 0.246 786 K C 0.721 177.262 176.600 -0.099 0.000 0.987 786 K CA -0.550 55.677 56.287 -0.100 0.000 0.904 786 K CB 1.262 33.719 32.500 -0.072 0.000 1.071 786 K HN 0.797 nan 8.250 nan 0.000 0.453 787 D N 0.297 120.648 120.400 -0.081 0.000 2.091 787 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 787 D C 0.107 176.370 176.300 -0.063 0.000 0.980 787 D CA 1.458 55.419 54.000 -0.066 0.000 0.831 787 D CB -0.100 40.669 40.800 -0.052 0.000 0.987 787 D HN 0.767 nan 8.370 nan 0.000 0.460 788 T N 0.436 114.956 114.554 -0.057 0.000 3.213 788 T HA -0.186 4.164 4.350 -0.000 0.000 0.417 788 T C 0.314 174.984 174.700 -0.051 0.000 0.772 788 T CA 0.620 62.689 62.100 -0.051 0.000 2.212 788 T CB -1.210 67.630 68.868 -0.046 0.000 1.631 788 T HN 0.056 nan 8.240 nan 0.000 0.571 789 S N 0.888 116.557 115.700 -0.052 0.000 2.414 789 S HA 0.694 5.164 4.470 -0.000 0.000 0.267 789 S C 1.053 175.620 174.600 -0.055 0.000 1.165 789 S CA -0.458 57.711 58.200 -0.053 0.000 1.028 789 S CB 0.687 63.855 63.200 -0.053 0.000 1.154 789 S HN 0.450 nan 8.310 nan 0.000 0.472 790 L N 0.808 121.992 121.223 -0.065 0.000 2.370 790 L HA 0.513 4.853 4.340 -0.000 0.000 0.191 790 L C -0.051 176.754 176.870 -0.110 0.000 1.203 790 L CA 1.365 56.157 54.840 -0.080 0.000 0.825 790 L CB -1.174 40.835 42.059 -0.084 0.000 1.048 790 L HN 0.665 nan 8.230 nan 0.000 0.487 791 R N -1.088 119.334 120.500 -0.131 0.000 0.993 791 R HA -0.096 4.244 4.340 -0.000 0.000 0.431 791 R C -0.836 175.332 176.300 -0.221 0.000 1.365 791 R CA 0.300 56.312 56.100 -0.148 0.000 1.251 791 R CB -1.178 29.055 30.300 -0.111 0.000 3.538 791 R HN 0.174 nan 8.270 nan 0.000 0.512 792 V N 5.067 124.844 119.914 -0.228 0.000 2.455 792 V HA 0.214 4.334 4.120 -0.000 0.000 0.273 792 V C -1.315 174.653 176.094 -0.209 0.000 1.045 792 V CA -1.104 61.017 62.300 -0.298 0.000 0.976 792 V CB 1.304 32.995 31.823 -0.220 0.000 0.993 792 V HN 0.553 nan 8.190 nan 0.000 0.475 793 P HA 0.159 nan 4.420 nan 0.000 0.268 793 P C -2.759 174.472 177.300 -0.115 0.000 1.205 793 P CA -1.602 61.428 63.100 -0.116 0.000 0.771 793 P CB -0.120 31.570 31.700 -0.017 0.000 0.858 794 P HA 0.073 nan 4.420 nan 0.000 0.261 794 P C 1.101 178.290 177.300 -0.185 0.000 1.203 794 P CA 1.259 64.165 63.100 -0.325 0.000 0.767 794 P CB -0.232 31.035 31.700 -0.722 0.000 0.785 795 G N 2.396 111.168 108.800 -0.046 0.000 2.279 795 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 795 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 795 G C 0.517 175.480 174.900 0.105 0.000 1.015 795 G CA -0.113 45.048 45.100 0.100 0.000 0.621 795 G HN 0.504 nan 8.290 nan 0.000 0.506 796 E N 0.016 120.276 120.200 0.100 0.000 4.068 796 E HA 0.521 4.871 4.350 -0.000 0.000 0.355 796 E C 1.126 177.801 176.600 0.124 0.000 1.511 796 E CA 1.250 57.743 56.400 0.156 0.000 1.957 796 E CB 0.082 29.927 29.700 0.242 0.000 1.345 796 E HN 1.732 nan 8.360 nan 0.000 0.796 797 G N -2.064 106.843 108.800 0.178 0.000 2.549 797 G HA2 0.360 4.320 3.960 -0.000 0.000 0.404 797 G HA3 0.360 4.320 3.960 -0.000 0.000 0.404 797 G C 0.126 175.108 174.900 0.137 0.000 1.292 797 G CA -0.503 44.672 45.100 0.125 0.000 0.935 797 G HN 1.192 nan 8.290 nan 0.000 0.512 798 G N -1.865 106.992 108.800 0.096 0.000 2.293 798 G HA2 0.461 4.421 3.960 -0.000 0.000 0.282 798 G HA3 0.461 4.421 3.960 -0.000 0.000 0.282 798 G C -1.168 173.775 174.900 0.071 0.000 1.299 798 G CA 0.107 45.259 45.100 0.087 0.000 1.018 798 G HN 1.601 nan 8.290 nan 0.000 0.478 799 I N 0.598 121.203 120.570 0.058 0.000 2.353 799 I HA 0.444 4.614 4.170 -0.000 0.000 0.293 799 I C 0.766 176.915 176.117 0.054 0.000 0.992 799 I CA -0.534 60.790 61.300 0.040 0.000 1.268 799 I CB 1.816 39.825 38.000 0.014 0.000 1.387 799 I HN 0.362 nan 8.210 nan 0.000 0.478 800 V N 8.024 127.971 119.914 0.055 0.000 2.390 800 V HA 0.016 4.136 4.120 -0.000 0.000 0.260 800 V C 0.991 177.129 176.094 0.073 0.000 1.043 800 V CA 0.265 62.610 62.300 0.075 0.000 1.047 800 V CB 0.730 32.589 31.823 0.060 0.000 1.066 800 V HN 0.667 nan 8.190 nan 0.000 0.481 801 V N 4.486 124.461 119.914 0.102 0.000 2.426 801 V HA 0.314 4.434 4.120 -0.000 0.000 0.242 801 V C 1.163 177.334 176.094 0.129 0.000 1.036 801 V CA 1.708 64.061 62.300 0.089 0.000 1.044 801 V CB 0.457 32.318 31.823 0.062 0.000 0.688 801 V HN 0.888 nan 8.190 nan 0.000 0.462 802 G N -0.231 108.704 108.800 0.226 0.000 2.733 802 G HA2 0.623 4.583 3.960 -0.000 0.000 0.297 802 G HA3 0.623 4.583 3.960 -0.000 0.000 0.297 802 G C -1.287 173.746 174.900 0.222 0.000 1.422 802 G CA -0.841 44.421 45.100 0.270 0.000 0.942 802 G HN 0.386 nan 8.290 nan 0.000 0.510 803 R N -0.441 120.130 120.500 0.118 0.000 2.828 803 R HA 0.930 5.270 4.340 -0.000 0.000 0.264 803 R C -1.140 175.174 176.300 0.023 0.000 1.022 803 R CA -1.021 55.087 56.100 0.012 0.000 1.021 803 R CB 1.978 32.282 30.300 0.007 0.000 1.163 803 R HN 0.947 nan 8.270 nan 0.000 0.494 804 L N -0.475 120.723 121.223 -0.042 0.000 2.592 804 L HA 0.570 4.910 4.340 -0.000 0.000 0.258 804 L C -1.744 175.110 176.870 -0.027 0.000 0.926 804 L CA -0.470 54.368 54.840 -0.004 0.000 0.885 804 L CB 2.299 44.383 42.059 0.042 0.000 1.380 804 L HN 0.847 nan 8.230 nan 0.000 0.415 805 R N 3.880 124.379 120.500 -0.002 0.000 2.514 805 R HA 0.829 5.169 4.340 -0.000 0.000 0.296 805 R C -1.981 174.321 176.300 0.004 0.000 1.012 805 R CA -0.466 55.631 56.100 -0.005 0.000 0.897 805 R CB 1.363 31.662 30.300 -0.001 0.000 1.184 805 R HN 0.702 nan 8.270 nan 0.000 0.440 806 L N 4.678 125.901 121.223 -0.000 0.000 2.345 806 L HA 0.639 4.979 4.340 -0.000 0.000 0.274 806 L C 0.087 176.958 176.870 0.003 0.000 0.999 806 L CA -0.915 53.926 54.840 0.002 0.000 0.849 806 L CB 1.288 43.345 42.059 -0.003 0.000 1.220 806 L HN 0.453 nan 8.230 nan 0.000 0.422 807 R N 1.237 121.741 120.500 0.007 0.000 2.573 807 R HA 0.569 4.909 4.340 -0.000 0.000 0.272 807 R C -0.300 176.007 176.300 0.011 0.000 1.009 807 R CA -1.003 55.102 56.100 0.009 0.000 1.059 807 R CB 1.177 31.483 30.300 0.012 0.000 1.112 807 R HN 0.533 nan 8.270 nan 0.000 0.517 808 R N -0.138 120.369 120.500 0.012 0.000 2.537 808 R HA 0.030 4.370 4.340 -0.000 0.000 0.281 808 R C 0.812 177.123 176.300 0.017 0.000 0.988 808 R CA 2.119 58.227 56.100 0.014 0.000 1.077 808 R CB -0.101 30.208 30.300 0.016 0.000 0.932 808 R HN 0.979 nan 8.270 nan 0.000 0.409 809 G N 2.633 111.444 108.800 0.019 0.000 2.268 809 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.240 809 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.240 809 G C -0.018 174.901 174.900 0.030 0.000 1.010 809 G CA 0.146 45.260 45.100 0.025 0.000 0.618 809 G HN 0.712 nan 8.290 nan 0.000 0.516 810 D N 2.022 122.438 120.400 0.026 0.000 2.560 810 D HA 0.090 4.730 4.640 -0.000 0.000 0.226 810 D C 0.029 176.358 176.300 0.048 0.000 1.222 810 D CA 0.129 54.148 54.000 0.033 0.000 0.880 810 D CB 0.535 41.348 40.800 0.022 0.000 1.234 810 D HN 0.206 nan 8.370 nan 0.000 0.515 811 P HA -0.195 nan 4.420 nan 0.000 0.208 811 P C 0.911 178.304 177.300 0.155 0.000 0.999 811 P CA 2.140 65.317 63.100 0.128 0.000 0.988 811 P CB 0.015 31.822 31.700 0.179 0.000 0.745 812 G N -1.388 107.487 108.800 0.125 0.000 3.605 812 G HA2 0.334 4.294 3.960 -0.000 0.000 0.277 812 G HA3 0.334 4.294 3.960 -0.000 0.000 0.277 812 G C -0.138 174.662 174.900 -0.166 0.000 1.093 812 G CA -0.086 45.013 45.100 -0.002 0.000 0.821 812 G HN 0.185 nan 8.290 nan 0.000 0.532 813 V N 0.709 120.580 119.914 -0.073 0.000 2.383 813 V HA 0.387 4.507 4.120 -0.000 0.000 0.275 813 V C -0.334 175.740 176.094 -0.032 0.000 1.036 813 V CA -0.652 61.606 62.300 -0.071 0.000 0.889 813 V CB 1.278 33.077 31.823 -0.041 0.000 0.985 813 V HN 0.257 nan 8.190 nan 0.000 0.459 814 E N 4.997 125.176 120.200 -0.035 0.000 2.185 814 E HA 0.645 4.995 4.350 -0.000 0.000 0.261 814 E C -1.145 175.451 176.600 -0.007 0.000 0.879 814 E CA -0.600 55.794 56.400 -0.010 0.000 0.756 814 E CB 2.108 31.808 29.700 0.000 0.000 1.152 814 E HN 0.700 nan 8.360 nan 0.000 0.416 815 L N 0.003 121.226 121.223 0.001 0.000 2.341 815 L HA 0.625 4.965 4.340 -0.000 0.000 0.267 815 L C -0.072 176.804 176.870 0.010 0.000 1.009 815 L CA -1.479 53.364 54.840 0.004 0.000 0.819 815 L CB 1.010 43.071 42.059 0.003 0.000 1.323 815 L HN 0.027 nan 8.230 nan 0.000 0.425 816 K N 0.844 121.250 120.400 0.011 0.000 2.591 816 K HA 0.070 4.390 4.320 -0.000 0.000 0.280 816 K C -2.263 174.345 176.600 0.014 0.000 0.964 816 K CA -0.819 55.476 56.287 0.013 0.000 1.014 816 K CB -0.292 32.215 32.500 0.013 0.000 0.877 816 K HN 0.464 nan 8.250 nan 0.000 0.502 817 P HA -0.017 nan 4.420 nan 0.000 0.265 817 P C 0.541 177.849 177.300 0.014 0.000 1.193 817 P CA 0.657 63.766 63.100 0.015 0.000 0.765 817 P CB 0.395 32.103 31.700 0.015 0.000 0.823 818 G N 0.938 109.747 108.800 0.015 0.000 2.143 818 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.248 818 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.248 818 G C -0.155 174.756 174.900 0.017 0.000 0.991 818 G CA -0.073 45.036 45.100 0.015 0.000 0.689 818 G HN 0.531 nan 8.290 nan 0.000 0.522 819 V N 1.605 121.529 119.914 0.016 0.000 2.588 819 V HA 0.851 4.971 4.120 -0.000 0.000 0.304 819 V C 0.120 176.224 176.094 0.015 0.000 1.042 819 V CA -0.841 61.468 62.300 0.016 0.000 0.877 819 V CB 1.943 33.774 31.823 0.013 0.000 0.996 819 V HN 0.691 nan 8.190 nan 0.000 0.425 820 R N 3.968 124.478 120.500 0.017 0.000 2.575 820 R HA 0.673 5.013 4.340 -0.000 0.000 0.293 820 R C -0.748 175.559 176.300 0.012 0.000 0.983 820 R CA -0.533 55.576 56.100 0.015 0.000 0.887 820 R CB 1.727 32.038 30.300 0.018 0.000 1.184 820 R HN 0.917 nan 8.270 nan 0.000 0.445 821 E N 1.266 121.472 120.200 0.009 0.000 7.553 821 E HA -0.130 4.220 4.350 -0.000 0.000 0.426 821 E C -1.866 174.734 176.600 0.000 0.000 0.455 821 E CA 0.152 56.554 56.400 0.004 0.000 0.852 821 E CB 0.125 29.828 29.700 0.005 0.000 0.955 821 E HN 0.482 nan 8.360 nan 0.000 0.262 822 V N 5.349 125.260 119.914 -0.004 0.000 2.531 822 V HA 0.529 4.649 4.120 -0.000 0.000 0.301 822 V C -0.146 175.936 176.094 -0.021 0.000 1.034 822 V CA -0.644 61.650 62.300 -0.010 0.000 0.865 822 V CB 2.024 33.843 31.823 -0.007 0.000 0.995 822 V HN 0.466 nan 8.190 nan 0.000 0.424 823 V N 5.532 125.428 119.914 -0.030 0.000 2.459 823 V HA 0.642 4.762 4.120 -0.000 0.000 0.295 823 V C -0.120 175.927 176.094 -0.080 0.000 1.029 823 V CA -0.858 61.414 62.300 -0.048 0.000 0.874 823 V CB 1.785 33.584 31.823 -0.041 0.000 0.985 823 V HN 0.767 nan 8.190 nan 0.000 0.438 824 R N 2.962 123.378 120.500 -0.141 0.000 2.480 824 R HA 0.729 5.069 4.340 -0.000 0.000 0.306 824 R C -1.566 174.498 176.300 -0.394 0.000 0.958 824 R CA -0.636 55.299 56.100 -0.276 0.000 0.861 824 R CB 2.376 32.457 30.300 -0.365 0.000 1.171 824 R HN 0.520 nan 8.270 nan 0.000 0.445 825 V N 4.500 124.211 119.914 -0.339 0.000 2.448 825 V HA 0.461 4.581 4.120 -0.000 0.000 0.295 825 V C -0.578 175.355 176.094 -0.269 0.000 1.025 825 V CA -0.723 61.432 62.300 -0.243 0.000 0.859 825 V CB 1.461 33.273 31.823 -0.018 0.000 0.988 825 V HN 0.540 nan 8.190 nan 0.000 0.431 826 F N 3.667 123.658 119.950 0.069 0.000 2.415 826 F HA 0.644 5.171 4.527 -0.000 0.000 0.348 826 F C 0.125 175.960 175.800 0.058 0.000 1.119 826 F CA -0.889 57.129 58.000 0.028 0.000 1.069 826 F CB 1.691 40.692 39.000 0.002 0.000 1.124 826 F HN 0.192 nan 8.300 nan 0.000 0.472 827 V N 2.682 122.742 119.914 0.243 0.000 2.513 827 V HA 0.822 4.942 4.120 -0.000 0.000 0.299 827 V C -0.070 176.093 176.094 0.115 0.000 1.035 827 V CA -0.912 61.505 62.300 0.195 0.000 0.889 827 V CB 1.428 33.421 31.823 0.283 0.000 0.988 827 V HN 0.874 nan 8.190 nan 0.000 0.440 828 A N 3.867 126.738 122.820 0.085 0.000 2.337 828 A HA 0.864 5.184 4.320 -0.000 0.000 0.331 828 A C -0.643 176.989 177.584 0.079 0.000 1.137 828 A CA -0.660 51.406 52.037 0.047 0.000 0.807 828 A CB 1.510 20.507 19.000 -0.005 0.000 1.250 828 A HN 0.827 nan 8.150 nan 0.000 0.468 829 Q N 0.564 120.432 119.800 0.113 0.000 2.397 829 Q HA 0.408 4.748 4.340 -0.000 0.000 0.275 829 Q C -1.225 174.833 176.000 0.096 0.000 1.090 829 Q CA -0.770 55.110 55.803 0.129 0.000 0.809 829 Q CB 2.854 31.724 28.738 0.220 0.000 1.362 829 Q HN 0.626 nan 8.270 nan 0.000 0.431 830 K N 1.900 122.337 120.400 0.062 0.000 2.235 830 K HA 0.389 4.709 4.320 -0.000 0.000 0.266 830 K C 0.100 176.734 176.600 0.056 0.000 0.980 830 K CA -0.135 56.181 56.287 0.049 0.000 0.849 830 K CB 1.154 33.667 32.500 0.022 0.000 1.098 830 K HN 0.553 nan 8.250 nan 0.000 0.445 831 R N 1.910 122.448 120.500 0.062 0.000 2.087 831 R HA 0.118 4.458 4.340 -0.000 0.000 0.213 831 R C -0.326 176.005 176.300 0.052 0.000 1.137 831 R CA 0.331 56.462 56.100 0.052 0.000 1.022 831 R CB 0.310 30.634 30.300 0.040 0.000 0.920 831 R HN 0.632 nan 8.270 nan 0.000 0.451 832 K N -0.293 120.148 120.400 0.068 0.000 2.778 832 K HA -0.181 4.139 4.320 -0.000 0.000 0.687 832 K C -0.881 175.765 176.600 0.077 0.000 2.569 832 K CA 0.104 56.440 56.287 0.082 0.000 1.843 832 K CB -0.595 31.945 32.500 0.066 0.000 2.761 832 K HN -0.052 nan 8.250 nan 0.000 0.161 833 L N 1.390 122.668 121.223 0.092 0.000 2.476 833 L HA 0.226 4.566 4.340 -0.000 0.000 0.255 833 L C 0.452 177.338 176.870 0.026 0.000 1.218 833 L CA 0.878 55.751 54.840 0.055 0.000 0.819 833 L CB 0.491 42.583 42.059 0.055 0.000 1.119 833 L HN 0.559 nan 8.230 nan 0.000 0.485 834 Q N -0.491 119.311 119.800 0.003 0.000 2.575 834 Q HA 0.371 4.711 4.340 -0.000 0.000 0.290 834 Q C -1.541 174.453 176.000 -0.010 0.000 0.963 834 Q CA -0.871 54.932 55.803 -0.000 0.000 0.783 834 Q CB 2.106 30.843 28.738 -0.001 0.000 1.467 834 Q HN 0.310 nan 8.270 nan 0.000 0.402 835 V N 1.594 121.506 119.914 -0.004 0.000 2.359 835 V HA 0.439 4.559 4.120 -0.000 0.000 0.248 835 V C 0.975 177.063 176.094 -0.009 0.000 1.091 835 V CA 1.113 63.412 62.300 -0.002 0.000 1.103 835 V CB -0.417 31.412 31.823 0.010 0.000 1.176 835 V HN 1.053 nan 8.190 nan 0.000 0.488 836 G N 2.690 111.480 108.800 -0.016 0.000 2.559 836 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.202 836 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.202 836 G C -0.246 174.637 174.900 -0.029 0.000 0.992 836 G CA -0.576 44.510 45.100 -0.023 0.000 0.764 836 G HN 0.572 nan 8.290 nan 0.000 0.525 837 D N 0.624 121.004 120.400 -0.033 0.000 2.339 837 D HA 0.446 5.086 4.640 -0.000 0.000 0.245 837 D C 0.357 176.630 176.300 -0.045 0.000 1.115 837 D CA 0.230 54.206 54.000 -0.040 0.000 0.917 837 D CB 1.449 42.220 40.800 -0.049 0.000 1.192 837 D HN 0.279 nan 8.370 nan 0.000 0.428 838 K N 1.473 121.853 120.400 -0.033 0.000 2.240 838 K HA 0.439 4.759 4.320 -0.000 0.000 0.271 838 K C -1.064 175.497 176.600 -0.066 0.000 1.018 838 K CA -0.471 55.802 56.287 -0.024 0.000 0.874 838 K CB 0.478 33.003 32.500 0.041 0.000 1.098 838 K HN 0.292 nan 8.250 nan 0.000 0.458 839 L N 3.345 124.511 121.223 -0.096 0.000 2.346 839 L HA 0.798 5.138 4.340 -0.000 0.000 0.276 839 L C -0.652 176.162 176.870 -0.092 0.000 1.006 839 L CA -1.088 53.666 54.840 -0.144 0.000 0.817 839 L CB 1.962 43.874 42.059 -0.245 0.000 1.272 839 L HN 0.812 nan 8.230 nan 0.000 0.421 840 A N 2.885 125.653 122.820 -0.086 0.000 2.515 840 A HA 0.587 4.907 4.320 -0.000 0.000 0.298 840 A C -1.119 176.421 177.584 -0.073 0.000 1.059 840 A CA -0.798 51.205 52.037 -0.056 0.000 0.698 840 A CB 1.765 20.751 19.000 -0.024 0.000 1.289 840 A HN 0.872 nan 8.150 nan 0.000 0.404 841 N N 0.087 118.766 118.700 -0.035 0.000 2.502 841 N HA 0.388 5.128 4.740 -0.000 0.000 0.280 841 N C 0.093 175.591 175.510 -0.019 0.000 1.223 841 N CA -0.893 52.143 53.050 -0.022 0.000 0.966 841 N CB 1.246 39.767 38.487 0.057 0.000 1.203 841 N HN 0.588 nan 8.380 nan 0.000 0.565 842 R N -0.732 119.729 120.500 -0.064 0.000 2.280 842 R HA 0.015 4.355 4.340 -0.000 0.000 0.207 842 R C 0.850 177.017 176.300 -0.221 0.000 1.043 842 R CA 0.660 56.676 56.100 -0.140 0.000 1.006 842 R CB -0.297 29.910 30.300 -0.156 0.000 0.885 842 R HN 0.595 nan 8.270 nan 0.000 0.467 843 H N -0.254 118.835 119.070 0.033 0.000 2.547 843 H HA 0.150 4.706 4.556 -0.000 0.000 0.266 843 H C 1.140 176.475 175.328 0.011 0.000 0.988 843 H CA 0.917 56.978 56.048 0.022 0.000 1.147 843 H CB 0.584 30.367 29.762 0.034 0.000 1.365 843 H HN 0.452 nan 8.280 nan 0.000 0.589 844 G N 1.533 110.384 108.800 0.084 0.000 2.165 844 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.226 844 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.226 844 G C -0.018 174.909 174.900 0.045 0.000 1.035 844 G CA -0.109 45.022 45.100 0.051 0.000 0.744 844 G HN 0.423 nan 8.290 nan 0.000 0.501 845 N N 1.073 119.803 118.700 0.049 0.000 2.602 845 N HA 0.201 4.941 4.740 -0.000 0.000 0.238 845 N C 0.863 176.375 175.510 0.004 0.000 1.084 845 N CA -0.123 52.941 53.050 0.024 0.000 0.952 845 N CB 0.270 38.773 38.487 0.028 0.000 1.244 845 N HN 0.679 nan 8.380 nan 0.000 0.512 846 K N 1.514 121.914 120.400 0.000 0.000 2.127 846 K HA 0.710 5.030 4.320 -0.000 0.000 0.240 846 K C 0.141 176.732 176.600 -0.016 0.000 1.024 846 K CA -0.567 55.717 56.287 -0.006 0.000 0.918 846 K CB 1.240 33.744 32.500 0.006 0.000 1.108 846 K HN 0.335 nan 8.250 nan 0.000 0.485 847 G N -0.794 107.995 108.800 -0.018 0.000 2.358 847 G HA2 0.267 4.227 3.960 -0.000 0.000 0.303 847 G HA3 0.267 4.227 3.960 -0.000 0.000 0.303 847 G C -1.435 173.449 174.900 -0.027 0.000 1.537 847 G CA -0.442 44.645 45.100 -0.021 0.000 0.928 847 G HN 0.832 nan 8.290 nan 0.000 0.656 848 V N -0.708 119.195 119.914 -0.018 0.000 2.630 848 V HA 0.852 4.972 4.120 -0.000 0.000 0.305 848 V C 0.375 176.457 176.094 -0.019 0.000 1.046 848 V CA -0.961 61.326 62.300 -0.022 0.000 0.934 848 V CB 1.661 33.476 31.823 -0.013 0.000 1.003 848 V HN 1.094 nan 8.190 nan 0.000 0.451 849 V N 4.846 124.739 119.914 -0.034 0.000 2.485 849 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 849 V C 1.288 177.386 176.094 0.007 0.000 1.022 849 V CA 0.907 63.190 62.300 -0.028 0.000 1.067 849 V CB 0.344 32.137 31.823 -0.049 0.000 0.967 849 V HN 1.262 nan 8.190 nan 0.000 0.479 850 A N 4.751 127.595 122.820 0.040 0.000 2.259 850 A HA 0.459 4.779 4.320 -0.000 0.000 0.213 850 A C 0.742 178.396 177.584 0.117 0.000 1.209 850 A CA 0.149 52.236 52.037 0.084 0.000 0.910 850 A CB 0.293 19.366 19.000 0.122 0.000 0.946 850 A HN 0.592 nan 8.150 nan 0.000 0.497 851 K N 0.240 120.684 120.400 0.072 0.000 2.587 851 K HA 0.428 4.748 4.320 -0.000 0.000 0.256 851 K C -1.442 175.134 176.600 -0.040 0.000 0.974 851 K CA -0.325 55.980 56.287 0.030 0.000 0.855 851 K CB 0.859 33.371 32.500 0.021 0.000 1.292 851 K HN 0.361 nan 8.250 nan 0.000 0.444 852 I N 1.824 122.370 120.570 -0.040 0.000 2.315 852 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 852 I C -0.974 175.098 176.117 -0.076 0.000 1.006 852 I CA -0.621 60.647 61.300 -0.053 0.000 1.265 852 I CB 0.626 38.611 38.000 -0.026 0.000 1.387 852 I HN 0.274 nan 8.210 nan 0.000 0.475 853 L N 9.348 130.508 121.223 -0.106 0.000 2.289 853 L HA 0.635 4.975 4.340 -0.000 0.000 0.285 853 L C -2.034 174.795 176.870 -0.069 0.000 1.049 853 L CA -2.122 52.652 54.840 -0.111 0.000 0.804 853 L CB 0.896 42.848 42.059 -0.179 0.000 1.195 853 L HN 0.531 nan 8.230 nan 0.000 0.428 854 P HA 0.006 nan 4.420 nan 0.000 0.269 854 P C 0.979 178.266 177.300 -0.023 0.000 1.215 854 P CA -0.170 62.914 63.100 -0.026 0.000 0.780 854 P CB 0.671 32.363 31.700 -0.014 0.000 0.898 855 V N 1.008 120.910 119.914 -0.019 0.000 2.828 855 V HA -0.230 3.890 4.120 -0.000 0.000 0.260 855 V C 2.090 178.183 176.094 -0.001 0.000 1.101 855 V CA 1.842 64.133 62.300 -0.015 0.000 1.123 855 V CB -1.637 30.173 31.823 -0.022 0.000 0.704 855 V HN 0.427 nan 8.190 nan 0.000 0.493 856 E N 0.767 120.969 120.200 0.003 0.000 2.051 856 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 856 E C 1.149 177.785 176.600 0.061 0.000 0.991 856 E CA 1.210 57.619 56.400 0.015 0.000 0.799 856 E CB -0.325 29.383 29.700 0.013 0.000 0.748 856 E HN 0.739 nan 8.360 nan 0.000 0.449 857 D N -0.089 120.354 120.400 0.071 0.000 2.315 857 D HA 0.092 4.732 4.640 -0.000 0.000 0.275 857 D C 0.369 176.740 176.300 0.118 0.000 1.218 857 D CA -0.014 54.065 54.000 0.133 0.000 1.040 857 D CB 0.144 41.020 40.800 0.125 0.000 1.123 857 D HN -0.155 nan 8.370 nan 0.000 0.541 858 M N -1.678 117.968 119.600 0.077 0.000 4.047 858 M HA -0.115 4.365 4.480 -0.000 0.000 0.157 858 M C -2.700 173.715 176.300 0.192 0.000 1.532 858 M CA -0.582 54.717 55.300 -0.001 0.000 1.097 858 M CB -1.888 30.702 32.600 -0.017 0.000 1.346 858 M HN 0.145 nan 8.290 nan 0.000 0.190 859 P HA 0.097 nan 4.420 nan 0.000 0.262 859 P C -0.465 176.953 177.300 0.196 0.000 1.182 859 P CA 0.732 63.999 63.100 0.279 0.000 0.761 859 P CB 0.310 32.166 31.700 0.259 0.000 0.795 860 H N 1.905 121.085 119.070 0.185 0.000 2.717 860 H HA 0.404 4.960 4.556 0.000 0.000 0.366 860 H C -0.756 174.648 175.328 0.126 0.000 1.132 860 H CA -1.242 54.887 56.048 0.135 0.000 1.180 860 H CB 0.571 30.413 29.762 0.133 0.000 1.678 860 H HN 0.046 nan 8.280 nan 0.000 0.537 861 L N 3.762 125.093 121.223 0.180 0.000 2.467 861 L HA 0.077 4.417 4.340 -0.000 0.000 0.270 861 L C -0.896 176.108 176.870 0.224 0.000 1.205 861 L CA -2.055 52.860 54.840 0.125 0.000 0.828 861 L CB 0.141 42.323 42.059 0.206 0.000 1.101 861 L HN 0.569 nan 8.230 nan 0.000 0.479 862 P HA -0.220 nan 4.420 nan 0.000 0.216 862 P C 0.854 178.285 177.300 0.218 0.000 1.153 862 P CA 1.500 64.752 63.100 0.253 0.000 0.858 862 P CB -0.005 31.788 31.700 0.156 0.000 0.789 863 D N -0.763 119.761 120.400 0.206 0.000 2.265 863 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 863 D C 1.625 178.003 176.300 0.129 0.000 0.977 863 D CA 2.004 56.093 54.000 0.148 0.000 0.871 863 D CB -0.900 40.045 40.800 0.242 0.000 0.925 863 D HN 0.371 nan 8.370 nan 0.000 0.485 864 G N -0.856 108.052 108.800 0.180 0.000 2.617 864 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.197 864 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.197 864 G C 0.440 175.411 174.900 0.118 0.000 1.017 864 G CA 0.207 45.375 45.100 0.114 0.000 0.713 864 G HN 0.781 nan 8.290 nan 0.000 0.481 865 T N 2.207 116.857 114.554 0.161 0.000 2.888 865 T HA 0.545 4.895 4.350 -0.000 0.000 0.301 865 T C -1.932 172.861 174.700 0.155 0.000 1.001 865 T CA -0.482 61.701 62.100 0.139 0.000 1.147 865 T CB 1.984 70.956 68.868 0.174 0.000 0.931 865 T HN 0.366 nan 8.240 nan 0.000 0.541 866 P HA 0.397 nan 4.420 nan 0.000 0.281 866 P C 0.308 177.629 177.300 0.035 0.000 1.264 866 P CA -0.767 62.402 63.100 0.115 0.000 0.824 866 P CB 1.161 32.905 31.700 0.073 0.000 1.092 867 V N -1.275 118.646 119.914 0.011 0.000 3.336 867 V HA 0.323 4.443 4.120 -0.000 0.000 0.304 867 V C 0.575 176.633 176.094 -0.061 0.000 1.073 867 V CA 0.194 62.464 62.300 -0.050 0.000 1.074 867 V CB 0.155 31.940 31.823 -0.064 0.000 1.161 867 V HN 0.419 nan 8.190 nan 0.000 0.460 868 D N -0.146 120.212 120.400 -0.070 0.000 2.455 868 D HA 0.248 4.888 4.640 -0.000 0.000 0.228 868 D C 0.138 176.406 176.300 -0.053 0.000 1.070 868 D CA 0.849 54.813 54.000 -0.060 0.000 0.881 868 D CB 1.573 42.344 40.800 -0.049 0.000 1.087 868 D HN 0.455 nan 8.370 nan 0.000 0.498 869 V N 1.465 121.343 119.914 -0.060 0.000 2.808 869 V HA 0.397 4.517 4.120 -0.000 0.000 0.308 869 V C -1.660 174.379 176.094 -0.091 0.000 1.099 869 V CA -0.797 61.460 62.300 -0.072 0.000 0.920 869 V CB 2.199 33.994 31.823 -0.046 0.000 1.014 869 V HN -0.077 nan 8.190 nan 0.000 0.425 870 I N 7.224 127.726 120.570 -0.114 0.000 2.337 870 I HA 0.397 4.567 4.170 -0.000 0.000 0.285 870 I C -0.838 175.244 176.117 -0.058 0.000 1.041 870 I CA -0.467 60.768 61.300 -0.109 0.000 1.199 870 I CB 1.349 39.235 38.000 -0.189 0.000 1.370 870 I HN 0.351 nan 8.210 nan 0.000 0.470 871 L N 6.698 127.891 121.223 -0.050 0.000 2.265 871 L HA 0.320 4.660 4.340 -0.000 0.000 0.289 871 L C 0.480 177.332 176.870 -0.030 0.000 1.033 871 L CA -0.067 54.751 54.840 -0.037 0.000 0.814 871 L CB 0.874 42.906 42.059 -0.044 0.000 1.203 871 L HN 0.517 nan 8.230 nan 0.000 0.423 872 N N 6.138 124.829 118.700 -0.014 0.000 2.411 872 N HA 0.019 4.759 4.740 -0.000 0.000 0.261 872 N C -1.702 173.785 175.510 -0.039 0.000 1.248 872 N CA -0.779 52.261 53.050 -0.016 0.000 0.885 872 N CB 1.375 39.858 38.487 -0.007 0.000 1.062 872 N HN 0.399 nan 8.380 nan 0.000 0.471 873 P HA -0.102 nan 4.420 nan 0.000 0.217 873 P C 1.661 178.930 177.300 -0.053 0.000 1.151 873 P CA 0.860 63.930 63.100 -0.050 0.000 0.828 873 P CB 0.293 31.964 31.700 -0.048 0.000 0.788 874 L N -0.411 120.779 121.223 -0.055 0.000 2.263 874 L HA -0.099 4.241 4.340 -0.000 0.000 0.216 874 L C 2.239 179.066 176.870 -0.071 0.000 1.111 874 L CA 1.408 56.209 54.840 -0.065 0.000 0.773 874 L CB -1.266 40.744 42.059 -0.083 0.000 0.906 874 L HN 0.062 nan 8.230 nan 0.000 0.439 875 G N -1.476 107.282 108.800 -0.069 0.000 3.332 875 G HA2 0.233 4.193 3.960 -0.000 0.000 0.242 875 G HA3 0.233 4.193 3.960 -0.000 0.000 0.242 875 G C 1.026 175.897 174.900 -0.049 0.000 1.276 875 G CA -0.059 45.004 45.100 -0.063 0.000 0.988 875 G HN 0.154 nan 8.290 nan 0.000 0.517 876 V N 0.839 120.724 119.914 -0.049 0.000 2.854 876 V HA 0.100 4.220 4.120 -0.000 0.000 0.236 876 V C -0.405 175.666 176.094 -0.038 0.000 1.157 876 V CA 0.790 63.062 62.300 -0.046 0.000 1.187 876 V CB 0.741 32.530 31.823 -0.057 0.000 0.949 876 V HN 0.199 nan 8.190 nan 0.000 0.488 877 P HA 0.042 nan 4.420 nan 0.000 0.230 877 P C 1.782 179.069 177.300 -0.021 0.000 1.168 877 P CA 1.042 64.126 63.100 -0.027 0.000 0.793 877 P CB 0.402 32.086 31.700 -0.028 0.000 0.851 878 S N 0.239 115.924 115.700 -0.026 0.000 2.354 878 S HA -0.084 4.386 4.470 -0.000 0.000 0.219 878 S C 1.159 175.751 174.600 -0.013 0.000 1.035 878 S CA 0.860 59.046 58.200 -0.023 0.000 1.037 878 S CB -0.543 62.637 63.200 -0.033 0.000 0.956 878 S HN 0.143 nan 8.310 nan 0.000 0.428 879 R N 0.589 121.081 120.500 -0.014 0.000 2.679 879 R HA 0.216 4.556 4.340 -0.000 0.000 0.269 879 R C -0.463 175.837 176.300 -0.001 0.000 1.076 879 R CA 0.176 56.274 56.100 -0.003 0.000 1.160 879 R CB -0.169 30.130 30.300 -0.002 0.000 1.054 879 R HN 0.322 nan 8.270 nan 0.000 0.507 880 M N 1.722 121.329 119.600 0.011 0.000 3.136 880 M HA 0.169 4.649 4.480 -0.000 0.000 0.240 880 M C -0.141 176.171 176.300 0.020 0.000 1.138 880 M CA 0.002 55.310 55.300 0.013 0.000 0.866 880 M CB 0.039 32.653 32.600 0.022 0.000 1.340 880 M HN 0.626 nan 8.290 nan 0.000 0.539 881 N N -0.394 118.310 118.700 0.005 0.000 3.091 881 N HA 0.040 4.780 4.740 -0.000 0.000 0.301 881 N C 0.845 176.313 175.510 -0.071 0.000 1.325 881 N CA -0.390 52.662 53.050 0.003 0.000 1.143 881 N CB 0.413 38.916 38.487 0.027 0.000 1.450 881 N HN 0.299 nan 8.380 nan 0.000 0.542 882 L N 1.022 122.216 121.223 -0.048 0.000 2.265 882 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 882 L C 2.251 179.004 176.870 -0.195 0.000 1.117 882 L CA 1.098 55.881 54.840 -0.095 0.000 0.782 882 L CB -1.017 41.020 42.059 -0.036 0.000 0.914 882 L HN 0.583 nan 8.230 nan 0.000 0.441 883 G N -0.703 107.979 108.800 -0.196 0.000 2.469 883 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.219 883 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.219 883 G C 1.348 175.814 174.900 -0.723 0.000 1.150 883 G CA 0.848 45.761 45.100 -0.311 0.000 0.763 883 G HN 0.647 nan 8.290 nan 0.000 0.561 884 Q N -0.179 118.990 119.800 -1.051 0.000 2.197 884 Q HA -0.154 4.186 4.340 -0.000 0.000 0.207 884 Q C 2.307 178.144 176.000 -0.272 0.000 0.984 884 Q CA 1.473 56.954 55.803 -0.536 0.000 0.869 884 Q CB -0.286 28.337 28.738 -0.192 0.000 0.906 884 Q HN 0.376 nan 8.270 nan 0.000 0.426 885 I N 1.157 121.539 120.570 -0.314 0.000 2.133 885 I HA -0.225 3.945 4.170 -0.000 0.000 0.238 885 I C 2.551 178.360 176.117 -0.513 0.000 1.074 885 I CA 0.859 61.929 61.300 -0.383 0.000 1.342 885 I CB -1.382 36.437 38.000 -0.302 0.000 1.053 885 I HN 0.370 nan 8.210 nan 0.000 0.404 886 L N 0.635 121.600 121.223 -0.429 0.000 2.021 886 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 886 L C 2.545 179.209 176.870 -0.343 0.000 1.074 886 L CA 1.977 56.512 54.840 -0.508 0.000 0.760 886 L CB -0.590 40.921 42.059 -0.913 0.000 0.889 886 L HN 0.431 nan 8.230 nan 0.000 0.433 887 E N -0.969 119.209 120.200 -0.037 0.000 2.204 887 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 887 E C 1.769 178.427 176.600 0.097 0.000 0.989 887 E CA 1.655 58.236 56.400 0.301 0.000 0.824 887 E CB 0.218 30.195 29.700 0.461 0.000 0.756 887 E HN 0.527 nan 8.360 nan 0.000 0.477 888 T N -0.667 113.834 114.554 -0.088 0.000 2.812 888 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 888 T C 1.410 176.052 174.700 -0.096 0.000 1.042 888 T CA 1.330 63.358 62.100 -0.121 0.000 1.140 888 T CB -0.411 68.318 68.868 -0.231 0.000 0.870 888 T HN 0.414 nan 8.240 nan 0.000 0.445 889 H N 0.516 119.535 119.070 -0.084 0.000 2.290 889 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 889 H C 2.260 177.548 175.328 -0.066 0.000 1.087 889 H CA 1.076 57.058 56.048 -0.110 0.000 1.291 889 H CB -0.247 29.421 29.762 -0.158 0.000 1.369 889 H HN 0.059 nan 8.280 nan 0.000 0.492 890 L N 0.782 122.041 121.223 0.060 0.000 2.079 890 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 890 L C 2.487 179.360 176.870 0.006 0.000 1.081 890 L CA 1.894 56.713 54.840 -0.036 0.000 0.752 890 L CB -0.865 41.143 42.059 -0.085 0.000 0.896 890 L HN 0.335 nan 8.230 nan 0.000 0.433 891 G N -1.064 107.778 108.800 0.070 0.000 2.498 891 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 891 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 891 G C 1.520 176.512 174.900 0.153 0.000 1.119 891 G CA 0.848 46.024 45.100 0.127 0.000 0.766 891 G HN 0.426 nan 8.290 nan 0.000 0.552 892 L N 0.788 122.084 121.223 0.122 0.000 2.095 892 L HA 0.396 4.736 4.340 -0.000 0.000 0.204 892 L C 2.968 180.049 176.870 0.351 0.000 1.080 892 L CA 1.835 56.771 54.840 0.160 0.000 0.759 892 L CB -0.647 41.421 42.059 0.014 0.000 0.914 892 L HN 0.159 nan 8.230 nan 0.000 0.439 893 A N 0.052 123.048 122.820 0.294 0.000 1.841 893 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 893 A C 2.379 180.218 177.584 0.426 0.000 1.199 893 A CA 1.906 54.171 52.037 0.380 0.000 0.621 893 A CB -1.847 17.320 19.000 0.278 0.000 0.835 893 A HN 0.518 nan 8.150 nan 0.000 0.445 894 G N -1.877 107.172 108.800 0.416 0.000 2.545 894 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.222 894 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.222 894 G C 1.542 176.629 174.900 0.312 0.000 1.126 894 G CA 1.576 46.961 45.100 0.474 0.000 0.754 894 G HN 0.623 nan 8.290 nan 0.000 0.583 895 Y N 0.167 120.552 120.300 0.142 0.000 2.181 895 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 895 Y C 2.272 178.090 175.900 -0.138 0.000 1.146 895 Y CA 1.699 59.773 58.100 -0.044 0.000 1.164 895 Y CB -0.167 38.203 38.460 -0.150 0.000 0.982 895 Y HN 0.207 nan 8.280 nan 0.000 0.515 896 F N -2.132 117.972 119.950 0.256 0.000 2.317 896 F HA 0.003 4.530 4.527 -0.000 0.000 0.290 896 F C 1.879 177.752 175.800 0.120 0.000 1.075 896 F CA 0.280 58.380 58.000 0.166 0.000 1.380 896 F CB -0.367 38.804 39.000 0.286 0.000 1.093 896 F HN -0.036 nan 8.300 nan 0.000 0.524 897 L N 0.415 121.849 121.223 0.352 0.000 2.465 897 L HA 0.207 4.547 4.340 -0.000 0.000 0.224 897 L C 1.310 178.261 176.870 0.136 0.000 1.145 897 L CA 0.880 55.864 54.840 0.240 0.000 0.834 897 L CB -1.125 41.105 42.059 0.284 0.000 0.944 897 L HN 0.232 nan 8.230 nan 0.000 0.451 898 G N 0.476 109.335 108.800 0.098 0.000 2.372 898 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.297 898 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.297 898 G C -0.050 174.846 174.900 -0.007 0.000 1.005 898 G CA 0.739 45.846 45.100 0.012 0.000 1.173 898 G HN 0.652 nan 8.290 nan 0.000 0.511 899 Q N -1.630 118.169 119.800 -0.002 0.000 2.565 899 Q HA 0.795 5.135 4.340 -0.000 0.000 0.294 899 Q C -0.183 175.707 176.000 -0.182 0.000 1.005 899 Q CA -1.409 54.303 55.803 -0.152 0.000 0.771 899 Q CB 1.538 30.099 28.738 -0.295 0.000 1.486 899 Q HN 0.313 nan 8.270 nan 0.000 0.422 900 R N -0.272 120.035 120.500 -0.320 0.000 2.782 900 R HA 0.677 5.017 4.340 -0.000 0.000 0.258 900 R C -1.099 174.895 176.300 -0.510 0.000 1.055 900 R CA -0.581 55.379 56.100 -0.235 0.000 1.065 900 R CB 1.125 31.310 30.300 -0.192 0.000 1.172 900 R HN 0.549 nan 8.270 nan 0.000 0.510 901 Y N -0.446 119.813 120.300 -0.068 0.000 2.609 901 Y HA 0.510 5.060 4.550 -0.000 0.000 0.342 901 Y C -0.605 175.249 175.900 -0.076 0.000 1.058 901 Y CA -0.957 57.112 58.100 -0.053 0.000 1.055 901 Y CB 1.514 40.045 38.460 0.118 0.000 1.292 901 Y HN 0.292 nan 8.280 nan 0.000 0.476 902 I N 1.440 122.086 120.570 0.126 0.000 2.583 902 I HA 0.217 4.387 4.170 -0.000 0.000 0.276 902 I C -0.714 175.528 176.117 0.209 0.000 1.089 902 I CA -0.004 61.334 61.300 0.064 0.000 1.103 902 I CB 1.407 39.393 38.000 -0.023 0.000 1.209 902 I HN 0.477 nan 8.210 nan 0.000 0.484 903 S N 7.975 123.766 115.700 0.151 0.000 2.505 903 S HA 0.566 5.036 4.470 -0.000 0.000 0.280 903 S C -2.461 172.101 174.600 -0.063 0.000 1.197 903 S CA -1.480 56.792 58.200 0.120 0.000 1.138 903 S CB 0.368 63.518 63.200 -0.084 0.000 1.010 903 S HN 0.195 nan 8.310 nan 0.000 0.480 904 P HA 0.087 nan 4.420 nan 0.000 0.272 904 P C -0.201 177.064 177.300 -0.059 0.000 1.240 904 P CA -0.342 62.744 63.100 -0.022 0.000 0.791 904 P CB 0.415 32.142 31.700 0.045 0.000 0.978 905 V N 2.936 122.776 119.914 -0.124 0.000 2.540 905 V HA -0.041 4.079 4.120 -0.000 0.000 0.297 905 V C 0.934 176.954 176.094 -0.123 0.000 1.024 905 V CA 0.510 62.636 62.300 -0.291 0.000 1.105 905 V CB -1.861 29.722 31.823 -0.400 0.000 0.938 905 V HN 0.580 nan 8.190 nan 0.000 0.482 906 F N 2.323 122.299 119.950 0.042 0.000 3.090 906 F HA -0.214 4.313 4.527 0.000 0.000 0.282 906 F C 0.598 176.441 175.800 0.072 0.000 0.923 906 F CA 0.953 58.988 58.000 0.059 0.000 0.977 906 F CB -0.872 38.185 39.000 0.095 0.000 0.954 906 F HN 0.760 nan 8.300 nan 0.000 0.695 907 D N -0.794 119.729 120.400 0.204 0.000 4.559 907 D HA 0.257 4.897 4.640 -0.000 0.000 0.212 907 D C 0.301 176.686 176.300 0.141 0.000 1.399 907 D CA 0.602 54.700 54.000 0.164 0.000 0.822 907 D CB -0.562 40.334 40.800 0.159 0.000 1.402 907 D HN 0.264 nan 8.370 nan 0.000 0.901 908 G N -0.237 108.641 108.800 0.130 0.000 3.310 908 G HA2 0.693 4.653 3.960 -0.000 0.000 0.176 908 G HA3 0.693 4.653 3.960 -0.000 0.000 0.176 908 G C -0.070 174.793 174.900 -0.062 0.000 1.307 908 G CA 0.016 45.175 45.100 0.098 0.000 0.935 908 G HN 0.362 nan 8.290 nan 0.000 0.628 909 A N 0.155 122.908 122.820 -0.112 0.000 2.425 909 A HA 0.583 4.903 4.320 -0.000 0.000 0.249 909 A C 0.578 178.089 177.584 -0.121 0.000 1.084 909 A CA 0.559 52.331 52.037 -0.442 0.000 0.781 909 A CB -0.195 18.637 19.000 -0.281 0.000 1.019 909 A HN 1.213 nan 8.150 nan 0.000 0.490 910 T N -0.225 114.216 114.554 -0.188 0.000 2.855 910 T HA 0.454 4.804 4.350 -0.000 0.000 0.281 910 T C 0.687 175.320 174.700 -0.112 0.000 1.007 910 T CA -0.413 61.638 62.100 -0.082 0.000 1.009 910 T CB 1.544 70.394 68.868 -0.030 0.000 0.983 910 T HN 0.685 nan 8.240 nan 0.000 0.455 911 E N 1.703 121.837 120.200 -0.110 0.000 2.068 911 E HA -0.169 4.181 4.350 -0.000 0.000 0.207 911 E C -0.657 175.893 176.600 -0.083 0.000 1.032 911 E CA 2.168 58.492 56.400 -0.127 0.000 0.839 911 E CB -0.885 28.742 29.700 -0.121 0.000 0.758 911 E HN 0.638 nan 8.360 nan 0.000 0.457 912 P HA -0.219 nan 4.420 nan 0.000 0.216 912 P C 0.828 178.130 177.300 0.003 0.000 1.154 912 P CA 1.639 64.728 63.100 -0.019 0.000 0.865 912 P CB -0.048 31.651 31.700 -0.003 0.000 0.789 913 E N -0.497 119.702 120.200 -0.000 0.000 2.051 913 E HA -0.143 4.206 4.350 -0.000 0.000 0.192 913 E C 2.193 178.831 176.600 0.063 0.000 0.991 913 E CA 0.987 57.416 56.400 0.047 0.000 0.799 913 E CB -0.496 29.206 29.700 0.003 0.000 0.748 913 E HN 0.257 nan 8.360 nan 0.000 0.449 914 I N 1.119 121.679 120.570 -0.016 0.000 2.179 914 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 914 I C 2.325 178.457 176.117 0.024 0.000 1.088 914 I CA 1.043 62.339 61.300 -0.007 0.000 1.357 914 I CB -0.292 37.654 38.000 -0.089 0.000 1.051 914 I HN -0.032 nan 8.210 nan 0.000 0.409 915 K N 0.614 121.009 120.400 -0.009 0.000 2.063 915 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 915 K C 2.075 178.709 176.600 0.058 0.000 1.048 915 K CA 1.302 57.589 56.287 0.001 0.000 0.928 915 K CB -0.381 32.099 32.500 -0.034 0.000 0.713 915 K HN 0.378 nan 8.250 nan 0.000 0.442 916 E N 1.223 121.463 120.200 0.068 0.000 2.058 916 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 916 E C 2.120 178.803 176.600 0.138 0.000 0.997 916 E CA 0.907 57.364 56.400 0.095 0.000 0.801 916 E CB 0.022 29.781 29.700 0.099 0.000 0.746 916 E HN 0.219 nan 8.360 nan 0.000 0.450 917 L N 0.361 121.685 121.223 0.169 0.000 2.083 917 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 917 L C 2.741 179.755 176.870 0.241 0.000 1.083 917 L CA 0.857 55.831 54.840 0.222 0.000 0.752 917 L CB -0.551 41.664 42.059 0.260 0.000 0.899 917 L HN 0.220 nan 8.230 nan 0.000 0.433 918 L N -0.196 121.160 121.223 0.222 0.000 2.027 918 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 918 L C 2.810 179.879 176.870 0.333 0.000 1.074 918 L CA 1.539 56.572 54.840 0.321 0.000 0.745 918 L CB -0.535 41.660 42.059 0.226 0.000 0.898 918 L HN 0.181 nan 8.230 nan 0.000 0.433 919 A N -0.859 122.084 122.820 0.204 0.000 1.883 919 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 919 A C 2.286 179.973 177.584 0.172 0.000 1.186 919 A CA 2.099 54.226 52.037 0.151 0.000 0.624 919 A CB -0.695 18.358 19.000 0.088 0.000 0.822 919 A HN 0.490 nan 8.150 nan 0.000 0.444 920 E N -0.517 119.782 120.200 0.166 0.000 2.118 920 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 920 E C 2.160 178.861 176.600 0.167 0.000 0.992 920 E CA 1.011 57.503 56.400 0.154 0.000 0.804 920 E CB -0.200 29.592 29.700 0.154 0.000 0.741 920 E HN 0.583 nan 8.360 nan 0.000 0.458 921 A N 0.321 123.277 122.820 0.228 0.000 1.929 921 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 921 A C 1.899 179.526 177.584 0.071 0.000 1.176 921 A CA 0.823 53.010 52.037 0.251 0.000 0.628 921 A CB -0.671 18.585 19.000 0.426 0.000 0.816 921 A HN 0.465 nan 8.150 nan 0.000 0.444 922 F N 1.334 121.145 119.950 -0.233 0.000 2.186 922 F HA -0.150 4.377 4.527 0.000 0.000 0.299 922 F C 1.710 177.367 175.800 -0.239 0.000 1.090 922 F CA 1.888 59.524 58.000 -0.606 0.000 1.307 922 F CB -0.458 38.064 39.000 -0.797 0.000 1.019 922 F HN 0.271 nan 8.300 nan 0.000 0.489 923 N N 0.042 118.729 118.700 -0.021 0.000 2.430 923 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 923 N C 1.413 176.841 175.510 -0.137 0.000 1.032 923 N CA 1.086 54.102 53.050 -0.056 0.000 0.893 923 N CB -0.073 38.453 38.487 0.065 0.000 0.957 923 N HN 0.264 nan 8.380 nan 0.000 0.442 924 L N -1.227 119.920 121.223 -0.127 0.000 2.189 924 L HA 0.014 4.354 4.340 -0.000 0.000 0.199 924 L C 1.921 178.700 176.870 -0.152 0.000 1.074 924 L CA 0.855 55.652 54.840 -0.071 0.000 0.783 924 L CB -0.803 41.288 42.059 0.053 0.000 0.955 924 L HN 0.179 nan 8.230 nan 0.000 0.460 925 Y N -0.955 119.081 120.300 -0.440 0.000 2.207 925 Y HA -0.297 4.253 4.550 -0.000 0.000 0.287 925 Y C 2.176 177.765 175.900 -0.517 0.000 1.156 925 Y CA 1.618 59.332 58.100 -0.642 0.000 1.182 925 Y CB -0.492 37.197 38.460 -1.285 0.000 0.979 925 Y HN 0.140 nan 8.280 nan 0.000 0.521 926 F N 0.438 119.682 119.950 -1.177 0.000 2.569 926 F HA 0.205 4.733 4.527 0.000 0.000 0.295 926 F C 2.383 177.852 175.800 -0.552 0.000 1.115 926 F CA 0.842 58.211 58.000 -1.052 0.000 1.450 926 F CB -0.424 37.772 39.000 -1.341 0.000 1.107 926 F HN 0.116 nan 8.300 nan 0.000 0.563 927 G N 0.166 108.793 108.800 -0.288 0.000 2.446 927 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 927 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 927 G C 1.690 176.488 174.900 -0.169 0.000 1.168 927 G CA 1.061 46.070 45.100 -0.153 0.000 0.771 927 G HN 0.261 nan 8.290 nan 0.000 0.551 928 K N 0.183 120.472 120.400 -0.186 0.000 1.978 928 K HA -0.137 4.183 4.320 -0.000 0.000 0.214 928 K C 2.545 179.020 176.600 -0.208 0.000 1.049 928 K CA 1.685 57.889 56.287 -0.139 0.000 0.939 928 K CB -0.241 32.220 32.500 -0.065 0.000 0.721 928 K HN 0.185 nan 8.250 nan 0.000 0.441 929 R N 0.897 121.157 120.500 -0.401 0.000 2.168 929 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 929 R C 2.233 178.342 176.300 -0.319 0.000 1.123 929 R CA 2.560 58.370 56.100 -0.482 0.000 0.928 929 R CB -0.601 29.032 30.300 -1.112 0.000 0.873 929 R HN 0.370 nan 8.270 nan 0.000 0.434 930 Q N -1.450 118.112 119.800 -0.396 0.000 2.230 930 Q HA 0.011 4.351 4.340 -0.000 0.000 0.202 930 Q C 1.937 177.865 176.000 -0.120 0.000 0.963 930 Q CA 1.187 56.873 55.803 -0.196 0.000 0.866 930 Q CB -0.019 28.673 28.738 -0.077 0.000 0.931 930 Q HN 0.654 nan 8.270 nan 0.000 0.452 931 G N 0.284 109.017 108.800 -0.112 0.000 2.394 931 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 931 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 931 G C 1.157 176.015 174.900 -0.069 0.000 1.165 931 G CA 0.566 45.622 45.100 -0.074 0.000 0.784 931 G HN 0.249 nan 8.290 nan 0.000 0.535 932 E N 0.205 120.375 120.200 -0.050 0.000 2.512 932 E HA 0.291 4.641 4.350 -0.000 0.000 0.195 932 E C 1.284 177.813 176.600 -0.118 0.000 1.083 932 E CA 0.496 56.890 56.400 -0.010 0.000 0.873 932 E CB -0.537 29.216 29.700 0.089 0.000 0.897 932 E HN 0.411 nan 8.360 nan 0.000 0.514 933 G N -0.287 108.386 108.800 -0.211 0.000 2.325 933 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 933 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 933 G C -0.277 174.179 174.900 -0.740 0.000 1.108 933 G CA 0.178 45.023 45.100 -0.425 0.000 0.881 933 G HN 0.205 nan 8.290 nan 0.000 0.494 934 F N -1.056 118.816 119.950 -0.129 0.000 2.824 934 F HA 0.836 5.363 4.527 -0.000 0.000 0.330 934 F C 0.687 176.385 175.800 -0.169 0.000 1.175 934 F CA -0.133 57.788 58.000 -0.131 0.000 0.974 934 F CB 2.034 40.947 39.000 -0.146 0.000 1.430 934 F HN 0.757 nan 8.300 nan 0.000 0.507 935 G N -0.833 108.059 108.800 0.152 0.000 2.386 935 G HA2 0.392 4.352 3.960 -0.000 0.000 0.302 935 G HA3 0.392 4.352 3.960 -0.000 0.000 0.302 935 G C -1.338 173.701 174.900 0.232 0.000 1.629 935 G CA -0.715 44.472 45.100 0.145 0.000 0.917 935 G HN 1.065 nan 8.290 nan 0.000 0.676 936 V N 0.409 120.520 119.914 0.329 0.000 5.844 936 V HA -0.223 3.897 4.120 -0.000 0.000 0.140 936 V C 0.940 177.144 176.094 0.183 0.000 0.731 936 V CA 1.558 64.010 62.300 0.254 0.000 0.497 936 V CB -1.847 30.103 31.823 0.213 0.000 0.326 936 V HN 1.357 nan 8.190 nan 0.000 0.368 937 D N 2.120 122.628 120.400 0.181 0.000 2.358 937 D HA 0.317 4.957 4.640 -0.000 0.000 0.244 937 D C 0.995 177.374 176.300 0.132 0.000 1.163 937 D CA -0.533 53.554 54.000 0.145 0.000 0.945 937 D CB 0.730 41.606 40.800 0.128 0.000 1.152 937 D HN 0.289 nan 8.370 nan 0.000 0.451 938 K N 0.064 120.518 120.400 0.090 0.000 2.173 938 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 938 K C 2.004 178.651 176.600 0.079 0.000 1.046 938 K CA 1.370 57.700 56.287 0.070 0.000 0.929 938 K CB -0.103 32.422 32.500 0.041 0.000 0.720 938 K HN 0.339 nan 8.250 nan 0.000 0.453 939 R N 0.885 121.443 120.500 0.096 0.000 2.061 939 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 939 R C 2.123 178.537 176.300 0.191 0.000 1.140 939 R CA 1.600 57.780 56.100 0.133 0.000 0.940 939 R CB -0.195 30.186 30.300 0.134 0.000 0.839 939 R HN 0.220 nan 8.270 nan 0.000 0.429 940 E N 0.376 120.720 120.200 0.240 0.000 2.108 940 E HA -0.284 4.066 4.350 -0.000 0.000 0.203 940 E C 1.913 178.590 176.600 0.129 0.000 1.022 940 E CA 1.586 58.096 56.400 0.184 0.000 0.823 940 E CB -0.007 29.810 29.700 0.194 0.000 0.744 940 E HN 0.230 nan 8.360 nan 0.000 0.456 941 K N 0.484 120.952 120.400 0.114 0.000 1.991 941 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 941 K C 2.209 178.850 176.600 0.069 0.000 1.049 941 K CA 1.253 57.589 56.287 0.082 0.000 0.932 941 K CB -0.222 32.321 32.500 0.071 0.000 0.717 941 K HN 0.130 nan 8.250 nan 0.000 0.441 942 E N 0.552 120.793 120.200 0.068 0.000 2.136 942 E HA -0.270 4.080 4.350 -0.000 0.000 0.208 942 E C 1.903 178.538 176.600 0.057 0.000 1.035 942 E CA 2.156 58.589 56.400 0.055 0.000 0.838 942 E CB -0.020 29.712 29.700 0.054 0.000 0.748 942 E HN 0.081 nan 8.360 nan 0.000 0.459 943 V N 1.001 120.959 119.914 0.073 0.000 2.216 943 V HA -0.293 3.827 4.120 -0.000 0.000 0.243 943 V C 2.609 178.736 176.094 0.055 0.000 1.044 943 V CA 1.946 64.288 62.300 0.070 0.000 0.995 943 V CB -0.767 31.109 31.823 0.088 0.000 0.633 943 V HN 0.294 nan 8.190 nan 0.000 0.446 944 L N 0.282 121.539 121.223 0.056 0.000 2.085 944 L HA -0.331 4.009 4.340 -0.000 0.000 0.218 944 L C 2.693 179.579 176.870 0.028 0.000 1.080 944 L CA 2.020 56.883 54.840 0.039 0.000 0.776 944 L CB -0.917 41.166 42.059 0.040 0.000 0.891 944 L HN 0.429 nan 8.230 nan 0.000 0.437 945 A N 0.812 123.651 122.820 0.031 0.000 1.841 945 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 945 A C 2.327 179.923 177.584 0.020 0.000 1.199 945 A CA 2.187 54.237 52.037 0.023 0.000 0.621 945 A CB -0.730 18.285 19.000 0.025 0.000 0.835 945 A HN 0.561 nan 8.150 nan 0.000 0.445 946 R N -0.218 120.297 120.500 0.025 0.000 2.241 946 R HA 0.126 4.466 4.340 -0.000 0.000 0.224 946 R C 1.902 178.214 176.300 0.020 0.000 1.101 946 R CA 1.440 57.554 56.100 0.023 0.000 0.995 946 R CB -0.479 29.838 30.300 0.028 0.000 0.870 946 R HN 0.349 nan 8.270 nan 0.000 0.463 947 A N 2.152 124.985 122.820 0.021 0.000 1.897 947 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 947 A C 1.999 179.586 177.584 0.005 0.000 1.181 947 A CA 1.330 53.376 52.037 0.015 0.000 0.620 947 A CB -0.401 18.610 19.000 0.018 0.000 0.821 947 A HN 0.722 nan 8.150 nan 0.000 0.443 948 E N 0.024 120.226 120.200 0.003 0.000 2.150 948 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 948 E C 1.815 178.414 176.600 -0.002 0.000 0.985 948 E CA 1.128 57.526 56.400 -0.003 0.000 0.814 948 E CB -0.260 29.437 29.700 -0.005 0.000 0.752 948 E HN 0.516 nan 8.360 nan 0.000 0.466 949 K N 0.695 121.096 120.400 0.003 0.000 2.147 949 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 949 K C 2.163 178.764 176.600 0.002 0.000 1.049 949 K CA 1.025 57.313 56.287 0.003 0.000 0.936 949 K CB -0.121 32.383 32.500 0.007 0.000 0.722 949 K HN 0.221 nan 8.250 nan 0.000 0.446 950 L N -0.576 120.648 121.223 0.002 0.000 2.083 950 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 950 L C 1.315 178.181 176.870 -0.006 0.000 1.083 950 L CA 1.332 56.172 54.840 -0.000 0.000 0.752 950 L CB -0.296 41.764 42.059 0.002 0.000 0.899 950 L HN 0.520 nan 8.230 nan 0.000 0.433 951 G N -1.292 107.503 108.800 -0.008 0.000 2.151 951 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.156 951 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.156 951 G C 0.274 175.163 174.900 -0.019 0.000 1.017 951 G CA -0.126 44.967 45.100 -0.013 0.000 0.686 951 G HN 0.078 nan 8.290 nan 0.000 0.503 952 L N -0.497 120.715 121.223 -0.019 0.000 2.515 952 L HA 0.420 4.760 4.340 -0.000 0.000 0.223 952 L C 1.248 178.098 176.870 -0.032 0.000 1.079 952 L CA 0.167 54.990 54.840 -0.028 0.000 0.857 952 L CB -0.678 41.364 42.059 -0.027 0.000 1.050 952 L HN 0.181 nan 8.230 nan 0.000 0.476 953 V N -1.243 118.655 119.914 -0.026 0.000 2.769 953 V HA 0.455 4.575 4.120 -0.000 0.000 0.312 953 V C 0.384 176.462 176.094 -0.028 0.000 1.058 953 V CA -0.761 61.521 62.300 -0.030 0.000 0.952 953 V CB 1.890 33.699 31.823 -0.023 0.000 1.019 953 V HN 0.012 nan 8.190 nan 0.000 0.445 954 S N 4.613 120.292 115.700 -0.034 0.000 2.422 954 S HA 0.312 4.782 4.470 -0.000 0.000 0.283 954 S C -2.236 172.350 174.600 -0.023 0.000 1.163 954 S CA -0.668 57.515 58.200 -0.030 0.000 1.054 954 S CB 0.448 63.627 63.200 -0.036 0.000 0.967 954 S HN 0.637 nan 8.310 nan 0.000 0.499 955 P HA 0.267 nan 4.420 nan 0.000 0.271 955 P C 0.957 178.249 177.300 -0.013 0.000 1.216 955 P CA 0.391 63.484 63.100 -0.012 0.000 0.776 955 P CB 0.824 32.518 31.700 -0.009 0.000 0.881 956 G N 2.435 111.229 108.800 -0.011 0.000 2.349 956 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 956 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 956 G C 0.191 175.083 174.900 -0.014 0.000 1.044 956 G CA -0.305 44.788 45.100 -0.011 0.000 0.633 956 G HN 0.563 nan 8.290 nan 0.000 0.506 957 K N 1.484 121.872 120.400 -0.020 0.000 2.219 957 K HA 0.483 4.803 4.320 -0.000 0.000 0.258 957 K C 0.806 177.392 176.600 -0.024 0.000 1.008 957 K CA 0.477 56.748 56.287 -0.027 0.000 0.928 957 K CB 1.152 33.628 32.500 -0.040 0.000 0.983 957 K HN 0.460 nan 8.250 nan 0.000 0.484 958 S N 2.162 117.846 115.700 -0.027 0.000 2.548 958 S HA 0.117 4.587 4.470 -0.000 0.000 0.277 958 S C -1.755 172.827 174.600 -0.031 0.000 1.315 958 S CA -1.241 56.947 58.200 -0.021 0.000 1.050 958 S CB 0.902 64.091 63.200 -0.018 0.000 0.918 958 S HN 0.309 nan 8.310 nan 0.000 0.497 959 P HA -0.279 nan 4.420 nan 0.000 0.226 959 P C 1.301 178.574 177.300 -0.045 0.000 1.154 959 P CA 2.147 65.243 63.100 -0.007 0.000 0.901 959 P CB 0.006 31.721 31.700 0.026 0.000 0.788 960 E N 0.146 120.302 120.200 -0.073 0.000 2.007 960 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 960 E C 1.876 178.352 176.600 -0.207 0.000 0.999 960 E CA 1.746 58.032 56.400 -0.189 0.000 0.811 960 E CB -0.494 29.110 29.700 -0.160 0.000 0.762 960 E HN 0.319 nan 8.360 nan 0.000 0.450 961 E N 0.387 120.499 120.200 -0.148 0.000 2.204 961 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 961 E C 2.297 178.793 176.600 -0.174 0.000 0.990 961 E CA 1.046 57.348 56.400 -0.164 0.000 0.821 961 E CB -0.179 29.459 29.700 -0.103 0.000 0.750 961 E HN 0.420 nan 8.360 nan 0.000 0.477 962 Q N 0.384 120.111 119.800 -0.122 0.000 2.079 962 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 962 Q C 2.329 178.265 176.000 -0.107 0.000 0.974 962 Q CA 0.776 56.524 55.803 -0.091 0.000 0.840 962 Q CB -0.058 28.653 28.738 -0.046 0.000 0.898 962 Q HN 0.333 nan 8.270 nan 0.000 0.430 963 L N 1.077 122.229 121.223 -0.119 0.000 2.017 963 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 963 L C 2.489 179.199 176.870 -0.268 0.000 1.073 963 L CA 1.797 56.594 54.840 -0.072 0.000 0.745 963 L CB -0.628 41.432 42.059 0.002 0.000 0.894 963 L HN 0.194 nan 8.230 nan 0.000 0.432 964 K N 0.456 120.432 120.400 -0.706 0.000 2.001 964 K HA -0.261 4.059 4.320 -0.000 0.000 0.214 964 K C 1.866 178.146 176.600 -0.533 0.000 1.050 964 K CA 2.033 57.547 56.287 -1.288 0.000 0.934 964 K CB -0.265 31.585 32.500 -1.083 0.000 0.718 964 K HN 0.235 nan 8.250 nan 0.000 0.443 965 E N -0.206 119.809 120.200 -0.309 0.000 2.035 965 E HA -0.249 4.101 4.350 -0.000 0.000 0.204 965 E C 1.986 178.521 176.600 -0.109 0.000 1.025 965 E CA 1.737 58.037 56.400 -0.167 0.000 0.835 965 E CB -0.277 29.349 29.700 -0.123 0.000 0.764 965 E HN 0.243 nan 8.360 nan 0.000 0.457 966 L N 0.251 121.426 121.223 -0.081 0.000 2.043 966 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 966 L C 2.075 178.940 176.870 -0.009 0.000 1.075 966 L CA 1.637 56.456 54.840 -0.035 0.000 0.752 966 L CB -0.706 41.353 42.059 -0.001 0.000 0.891 966 L HN 0.204 nan 8.230 nan 0.000 0.432 967 F N 0.442 120.319 119.950 -0.121 0.000 2.010 967 F HA -0.307 4.220 4.527 -0.000 0.000 0.296 967 F C 2.444 178.192 175.800 -0.087 0.000 1.146 967 F CA 2.108 60.075 58.000 -0.054 0.000 1.181 967 F CB -0.538 38.484 39.000 0.037 0.000 0.965 967 F HN 0.229 nan 8.300 nan 0.000 0.480 968 D N 0.302 120.831 120.400 0.215 0.000 2.200 968 D HA -0.272 4.368 4.640 -0.000 0.000 0.192 968 D C 1.904 178.141 176.300 -0.106 0.000 1.008 968 D CA 1.633 55.681 54.000 0.079 0.000 0.872 968 D CB -0.313 40.484 40.800 -0.005 0.000 0.923 968 D HN 0.299 nan 8.370 nan 0.000 0.447 969 L N -0.836 120.301 121.223 -0.144 0.000 2.700 969 L HA 0.120 4.460 4.340 -0.000 0.000 0.240 969 L C 1.850 178.506 176.870 -0.358 0.000 1.162 969 L CA 0.972 55.682 54.840 -0.217 0.000 0.874 969 L CB -0.200 41.772 42.059 -0.145 0.000 1.001 969 L HN 0.373 nan 8.230 nan 0.000 0.447 970 G N -1.422 107.148 108.800 -0.382 0.000 2.179 970 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 970 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 970 G C 0.666 175.436 174.900 -0.217 0.000 0.977 970 G CA 0.310 45.165 45.100 -0.409 0.000 0.641 970 G HN 0.374 nan 8.290 nan 0.000 0.533 971 K N -0.807 119.471 120.400 -0.204 0.000 2.240 971 K HA 0.865 5.185 4.320 -0.000 0.000 0.237 971 K C -0.508 176.009 176.600 -0.139 0.000 1.027 971 K CA -0.514 55.698 56.287 -0.125 0.000 0.937 971 K CB 2.433 34.893 32.500 -0.068 0.000 1.171 971 K HN 0.356 nan 8.250 nan 0.000 0.479 972 V N 0.292 120.171 119.914 -0.058 0.000 3.234 972 V HA 0.060 4.180 4.120 -0.000 0.000 0.280 972 V C -1.562 174.547 176.094 0.025 0.000 1.580 972 V CA -0.945 61.362 62.300 0.012 0.000 1.032 972 V CB 2.318 34.130 31.823 -0.018 0.000 1.203 972 V HN 0.430 nan 8.190 nan 0.000 0.459 973 V N 5.193 125.134 119.914 0.044 0.000 2.470 973 V HA 0.379 4.499 4.120 -0.000 0.000 0.276 973 V C 0.120 176.125 176.094 -0.147 0.000 1.040 973 V CA 0.076 62.367 62.300 -0.014 0.000 1.008 973 V CB 0.896 32.713 31.823 -0.010 0.000 0.990 973 V HN 0.563 nan 8.190 nan 0.000 0.477 974 L N 5.427 126.621 121.223 -0.047 0.000 2.334 974 L HA 0.583 4.923 4.340 -0.000 0.000 0.273 974 L C -0.964 175.901 176.870 -0.008 0.000 1.013 974 L CA -0.661 54.158 54.840 -0.035 0.000 0.816 974 L CB 2.129 44.309 42.059 0.202 0.000 1.278 974 L HN 0.536 nan 8.230 nan 0.000 0.431 975 Y N 0.869 121.067 120.300 -0.170 0.000 2.341 975 Y HA 0.150 4.700 4.550 -0.000 0.000 0.337 975 Y C -0.024 175.565 175.900 -0.518 0.000 1.014 975 Y CA -1.139 56.685 58.100 -0.460 0.000 1.111 975 Y CB 1.844 39.928 38.460 -0.627 0.000 1.194 975 Y HN 0.465 nan 8.280 nan 0.000 0.462 976 D N 2.640 122.737 120.400 -0.505 0.000 2.346 976 D HA 0.043 4.683 4.640 -0.000 0.000 0.260 976 D C 1.119 177.454 176.300 0.059 0.000 1.252 976 D CA 0.259 54.109 54.000 -0.250 0.000 0.895 976 D CB 1.472 41.999 40.800 -0.455 0.000 1.097 976 D HN 0.868 nan 8.370 nan 0.000 0.489 977 G N 4.277 113.243 108.800 0.276 0.000 2.450 977 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 977 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 977 G C 1.586 176.596 174.900 0.182 0.000 1.130 977 G CA 0.470 45.782 45.100 0.354 0.000 0.760 977 G HN 0.497 nan 8.290 nan 0.000 0.557 978 R N -0.468 120.125 120.500 0.155 0.000 2.062 978 R HA 0.051 4.391 4.340 -0.000 0.000 0.229 978 R C 1.182 177.510 176.300 0.046 0.000 1.128 978 R CA 1.351 57.511 56.100 0.099 0.000 0.960 978 R CB -0.199 30.168 30.300 0.112 0.000 0.855 978 R HN 0.363 nan 8.270 nan 0.000 0.432 979 T N -2.382 112.182 114.554 0.016 0.000 2.841 979 T HA 0.318 4.668 4.350 -0.000 0.000 0.285 979 T C 1.034 175.697 174.700 -0.061 0.000 0.991 979 T CA -0.553 61.532 62.100 -0.025 0.000 0.966 979 T CB 1.947 70.790 68.868 -0.041 0.000 0.962 979 T HN 0.220 nan 8.240 nan 0.000 0.438 980 G N 2.742 111.504 108.800 -0.064 0.000 2.591 980 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 980 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 980 G C 0.533 175.292 174.900 -0.234 0.000 1.113 980 G CA 0.473 45.502 45.100 -0.118 0.000 0.740 980 G HN 0.824 nan 8.290 nan 0.000 0.569 981 E N 0.614 120.698 120.200 -0.195 0.000 2.397 981 E HA 0.191 4.541 4.350 -0.000 0.000 0.254 981 E C -2.183 174.275 176.600 -0.236 0.000 1.231 981 E CA -1.351 54.928 56.400 -0.200 0.000 0.954 981 E CB 0.498 30.116 29.700 -0.135 0.000 1.024 981 E HN 0.145 nan 8.360 nan 0.000 0.481 982 P HA 0.255 nan 4.420 nan 0.000 0.283 982 P C -0.974 176.175 177.300 -0.252 0.000 1.278 982 P CA -0.550 62.513 63.100 -0.062 0.000 0.834 982 P CB 0.459 32.267 31.700 0.180 0.000 1.150 983 F N 0.047 120.056 119.950 0.098 0.000 2.421 983 F HA 0.180 4.707 4.527 -0.000 0.000 0.358 983 F C 1.591 177.422 175.800 0.052 0.000 1.115 983 F CA -0.613 57.422 58.000 0.058 0.000 1.160 983 F CB 0.134 39.163 39.000 0.048 0.000 1.123 983 F HN 0.280 nan 8.300 nan 0.000 0.508 984 E N 2.178 122.485 120.200 0.177 0.000 2.502 984 E HA 0.336 4.686 4.350 -0.000 0.000 0.261 984 E C 0.376 177.048 176.600 0.120 0.000 0.974 984 E CA 0.147 56.618 56.400 0.119 0.000 0.936 984 E CB 0.535 30.285 29.700 0.083 0.000 0.926 984 E HN 0.956 nan 8.360 nan 0.000 0.459 985 G N 3.676 112.529 108.800 0.089 0.000 3.285 985 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.685 985 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.685 985 G C -2.476 172.469 174.900 0.076 0.000 0.938 985 G CA -0.442 44.699 45.100 0.068 0.000 0.778 985 G HN 0.572 nan 8.290 nan 0.000 0.515 986 P HA 0.411 nan 4.420 nan 0.000 0.270 986 P C 0.089 177.402 177.300 0.022 0.000 1.223 986 P CA -0.184 62.941 63.100 0.042 0.000 0.785 986 P CB 0.824 32.536 31.700 0.019 0.000 0.923 987 I N 1.407 121.983 120.570 0.012 0.000 2.474 987 I HA 0.191 4.361 4.170 -0.000 0.000 0.294 987 I C 0.518 176.610 176.117 -0.041 0.000 1.005 987 I CA -1.182 60.105 61.300 -0.021 0.000 1.113 987 I CB 1.501 39.482 38.000 -0.032 0.000 1.289 987 I HN 0.089 nan 8.210 nan 0.000 0.436 988 V N 7.764 127.654 119.914 -0.041 0.000 2.521 988 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 988 V C -0.292 175.759 176.094 -0.071 0.000 1.034 988 V CA 0.358 62.637 62.300 -0.036 0.000 1.045 988 V CB 1.110 32.944 31.823 0.019 0.000 0.974 988 V HN 0.514 nan 8.190 nan 0.000 0.480 989 V N 6.168 126.026 119.914 -0.093 0.000 2.925 989 V HA 1.025 5.145 4.120 -0.000 0.000 0.311 989 V C 0.412 176.430 176.094 -0.127 0.000 1.104 989 V CA 0.385 62.616 62.300 -0.114 0.000 0.954 989 V CB 1.865 33.620 31.823 -0.114 0.000 1.022 989 V HN 1.264 nan 8.190 nan 0.000 0.427 990 G N 2.696 111.415 108.800 -0.135 0.000 2.428 990 G HA2 0.414 4.374 3.960 -0.000 0.000 0.304 990 G HA3 0.414 4.374 3.960 -0.000 0.000 0.304 990 G C -1.868 172.967 174.900 -0.109 0.000 1.303 990 G CA -0.642 44.387 45.100 -0.118 0.000 0.825 990 G HN 0.494 nan 8.290 nan 0.000 0.484 991 Q N 0.089 119.872 119.800 -0.028 0.000 2.257 991 Q HA 0.593 4.932 4.340 -0.000 0.000 0.255 991 Q C -0.579 175.477 176.000 0.092 0.000 0.920 991 Q CA -0.118 55.713 55.803 0.046 0.000 0.927 991 Q CB 2.003 30.825 28.738 0.140 0.000 1.229 991 Q HN 0.511 nan 8.270 nan 0.000 0.433 992 M N 3.219 122.889 119.600 0.117 0.000 2.327 992 M HA 0.373 4.853 4.480 -0.000 0.000 0.298 992 M C -1.640 174.800 176.300 0.233 0.000 1.065 992 M CA -0.739 54.654 55.300 0.156 0.000 0.916 992 M CB 1.490 34.147 32.600 0.095 0.000 1.630 992 M HN 0.672 nan 8.290 nan 0.000 0.442 993 F N 6.179 126.184 119.950 0.091 0.000 2.472 993 F HA 0.498 5.025 4.527 -0.000 0.000 0.364 993 F C -1.026 174.833 175.800 0.098 0.000 1.090 993 F CA -0.104 57.948 58.000 0.086 0.000 1.188 993 F CB 0.381 39.407 39.000 0.045 0.000 1.105 993 F HN 0.411 nan 8.300 nan 0.000 0.536 994 I N 6.582 126.904 120.570 -0.414 0.000 2.730 994 I HA 0.394 4.564 4.170 -0.000 0.000 0.298 994 I C -0.879 174.998 176.117 -0.399 0.000 1.089 994 I CA -1.053 60.054 61.300 -0.322 0.000 1.041 994 I CB 2.409 40.378 38.000 -0.053 0.000 1.235 994 I HN 0.523 nan 8.210 nan 0.000 0.423 995 M N 4.092 123.525 119.600 -0.278 0.000 2.528 995 M HA 0.443 4.923 4.480 -0.000 0.000 0.321 995 M C -0.461 175.830 176.300 -0.015 0.000 1.153 995 M CA -0.535 54.690 55.300 -0.124 0.000 0.951 995 M CB 2.076 34.589 32.600 -0.145 0.000 1.705 995 M HN 0.353 nan 8.290 nan 0.000 0.451 996 K N 2.730 123.187 120.400 0.096 0.000 2.183 996 K HA 0.542 4.862 4.320 -0.000 0.000 0.274 996 K C -1.242 175.372 176.600 0.024 0.000 1.009 996 K CA -0.295 56.009 56.287 0.029 0.000 0.888 996 K CB 0.845 33.425 32.500 0.134 0.000 1.078 996 K HN 0.716 nan 8.250 nan 0.000 0.459 997 L N 3.079 124.298 121.223 -0.006 0.000 2.569 997 L HA 0.145 4.485 4.340 -0.000 0.000 0.247 997 L C 1.384 178.242 176.870 -0.020 0.000 1.135 997 L CA -0.514 54.319 54.840 -0.012 0.000 0.812 997 L CB 0.004 42.053 42.059 -0.016 0.000 1.431 997 L HN 0.732 nan 8.230 nan 0.000 0.499 998 Y N 0.595 120.721 120.300 -0.290 0.000 2.181 998 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 998 Y C 0.907 176.647 175.900 -0.267 0.000 1.146 998 Y CA 0.627 58.529 58.100 -0.329 0.000 1.164 998 Y CB -0.553 37.619 38.460 -0.480 0.000 0.982 998 Y HN 0.433 nan 8.280 nan 0.000 0.515 999 H N 1.631 120.601 119.070 -0.167 0.000 2.690 999 H HA 0.431 4.987 4.556 -0.000 0.000 0.314 999 H C -0.165 175.051 175.328 -0.186 0.000 1.069 999 H CA -0.112 55.761 56.048 -0.292 0.000 1.436 999 H CB 0.438 30.100 29.762 -0.166 0.000 1.462 999 H HN 0.092 nan 8.280 nan 0.000 0.511 1000 M N 1.994 121.531 119.600 -0.105 0.000 2.591 1000 M HA 0.208 4.688 4.480 -0.000 0.000 0.306 1000 M C 0.869 177.126 176.300 -0.072 0.000 1.190 1000 M CA -1.161 54.092 55.300 -0.079 0.000 0.889 1000 M CB 2.343 34.885 32.600 -0.095 0.000 1.728 1000 M HN 0.422 nan 8.290 nan 0.000 0.458 1001 V N -1.088 118.792 119.914 -0.056 0.000 2.490 1001 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 1001 V C 1.877 177.939 176.094 -0.052 0.000 1.061 1001 V CA 2.125 64.391 62.300 -0.057 0.000 1.064 1001 V CB -1.300 30.496 31.823 -0.044 0.000 0.670 1001 V HN 1.033 nan 8.190 nan 0.000 0.461 1002 E N 1.256 121.428 120.200 -0.047 0.000 2.070 1002 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 1002 E C 1.868 178.455 176.600 -0.022 0.000 1.004 1002 E CA 2.078 58.458 56.400 -0.033 0.000 0.805 1002 E CB -0.226 29.440 29.700 -0.057 0.000 0.744 1002 E HN 0.706 nan 8.360 nan 0.000 0.451 1003 D N -0.081 120.283 120.400 -0.060 0.000 2.277 1003 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 1003 D C 0.298 176.604 176.300 0.009 0.000 0.962 1003 D CA 0.635 54.617 54.000 -0.030 0.000 0.865 1003 D CB 0.154 40.898 40.800 -0.094 0.000 0.939 1003 D HN 0.045 nan 8.370 nan 0.000 0.510 1004 K N 0.776 121.150 120.400 -0.043 0.000 2.148 1004 K HA 0.508 4.828 4.320 -0.000 0.000 0.239 1004 K C 0.397 176.889 176.600 -0.181 0.000 1.018 1004 K CA -0.898 55.333 56.287 -0.093 0.000 0.923 1004 K CB 0.863 33.286 32.500 -0.128 0.000 1.117 1004 K HN 0.041 nan 8.250 nan 0.000 0.477 1005 M N -0.080 119.237 119.600 -0.472 0.000 4.046 1005 M HA -0.111 4.369 4.480 -0.000 0.000 0.157 1005 M C -2.089 173.797 176.300 -0.689 0.000 1.532 1005 M CA 0.930 55.904 55.300 -0.543 0.000 1.097 1005 M CB -1.486 30.963 32.600 -0.252 0.000 1.346 1005 M HN 0.772 nan 8.290 nan 0.000 0.191 1006 H N 2.866 121.623 119.070 -0.522 0.000 2.980 1006 H HA 0.981 5.537 4.556 -0.000 0.000 0.367 1006 H C -0.980 173.969 175.328 -0.632 0.000 1.206 1006 H CA -0.693 54.686 56.048 -1.115 0.000 1.126 1006 H CB 1.457 30.442 29.762 -1.296 0.000 1.838 1006 H HN 1.326 nan 8.280 nan 0.000 0.552 1007 A N 1.753 124.311 122.820 -0.437 0.000 2.359 1007 A HA 0.577 4.897 4.320 -0.000 0.000 0.303 1007 A C -0.484 177.215 177.584 0.191 0.000 1.066 1007 A CA -0.780 51.241 52.037 -0.028 0.000 0.730 1007 A CB 1.858 20.878 19.000 0.032 0.000 1.211 1007 A HN 0.625 nan 8.150 nan 0.000 0.439 1008 R N 1.449 122.028 120.500 0.131 0.000 2.670 1008 R HA 0.608 4.948 4.340 -0.000 0.000 0.289 1008 R C 0.332 176.686 176.300 0.090 0.000 0.965 1008 R CA 0.390 56.575 56.100 0.141 0.000 0.899 1008 R CB 1.966 32.334 30.300 0.114 0.000 1.173 1008 R HN 0.927 nan 8.270 nan 0.000 0.456 1009 S N 0.481 116.232 115.700 0.085 0.000 2.830 1009 S HA 0.198 4.668 4.470 -0.000 0.000 0.249 1009 S C -0.278 174.383 174.600 0.102 0.000 1.084 1009 S CA 0.271 58.522 58.200 0.086 0.000 0.852 1009 S CB 0.534 63.787 63.200 0.089 0.000 0.802 1009 S HN 0.698 nan 8.310 nan 0.000 0.481 1010 T N -1.028 113.566 114.554 0.066 0.000 2.977 1010 T HA 0.712 5.062 4.350 -0.000 0.000 0.345 1010 T C -0.273 174.363 174.700 -0.107 0.000 1.562 1010 T CA -0.384 61.729 62.100 0.023 0.000 1.090 1010 T CB 1.056 70.019 68.868 0.159 0.000 1.383 1010 T HN 1.092 nan 8.240 nan 0.000 0.484 1011 G N 0.827 109.431 108.800 -0.327 0.000 2.364 1011 G HA2 0.639 4.599 3.960 -0.000 0.000 0.286 1011 G HA3 0.639 4.599 3.960 -0.000 0.000 0.286 1011 G C -3.385 171.217 174.900 -0.498 0.000 1.241 1011 G CA -0.842 44.076 45.100 -0.304 0.000 0.887 1011 G HN 0.700 nan 8.290 nan 0.000 0.484 1012 P HA 0.409 nan 4.420 nan 0.000 0.275 1012 P C -1.134 176.013 177.300 -0.255 0.000 1.276 1012 P CA 0.077 63.048 63.100 -0.214 0.000 0.782 1012 P CB -0.162 31.471 31.700 -0.112 0.000 0.851 1013 Y N 0.412 120.705 120.300 -0.012 0.000 2.320 1013 Y HA 0.322 4.872 4.550 -0.000 0.000 0.324 1013 Y C 1.568 177.464 175.900 -0.006 0.000 1.190 1013 Y CA -0.449 57.648 58.100 -0.006 0.000 1.215 1013 Y CB 0.807 39.263 38.460 -0.007 0.000 1.221 1013 Y HN 0.234 nan 8.280 nan 0.000 0.486 1014 S N 1.589 117.379 115.700 0.150 0.000 2.576 1014 S HA 0.141 4.611 4.470 -0.000 0.000 0.276 1014 S C 0.634 175.276 174.600 0.070 0.000 1.339 1014 S CA -0.605 57.644 58.200 0.081 0.000 1.039 1014 S CB 0.294 63.529 63.200 0.059 0.000 0.902 1014 S HN 0.632 nan 8.310 nan 0.000 0.516 1015 L N 4.835 126.084 121.223 0.045 0.000 2.509 1015 L HA 0.174 4.514 4.340 -0.000 0.000 0.222 1015 L C 1.640 178.525 176.870 0.025 0.000 1.123 1015 L CA 0.335 55.194 54.840 0.032 0.000 0.856 1015 L CB -0.455 41.618 42.059 0.023 0.000 0.985 1015 L HN 0.545 nan 8.230 nan 0.000 0.456 1016 I N 0.116 120.702 120.570 0.026 0.000 2.404 1016 I HA -0.104 4.066 4.170 -0.000 0.000 0.231 1016 I C 2.611 178.743 176.117 0.025 0.000 1.064 1016 I CA 1.955 63.269 61.300 0.022 0.000 1.383 1016 I CB -1.495 36.517 38.000 0.020 0.000 1.171 1016 I HN 0.355 nan 8.210 nan 0.000 0.422 1017 T N -1.688 112.884 114.554 0.031 0.000 2.942 1017 T HA -0.121 4.229 4.350 -0.000 0.000 0.265 1017 T C 1.324 176.044 174.700 0.033 0.000 1.062 1017 T CA 1.157 63.276 62.100 0.031 0.000 1.139 1017 T CB 0.080 68.969 68.868 0.035 0.000 0.883 1017 T HN 0.231 nan 8.240 nan 0.000 0.468 1018 Q N 0.592 120.418 119.800 0.044 0.000 2.393 1018 Q HA -0.159 4.181 4.340 -0.000 0.000 0.211 1018 Q C -0.097 175.935 176.000 0.054 0.000 0.653 1018 Q CA 1.391 57.215 55.803 0.036 0.000 1.331 1018 Q CB -1.938 26.799 28.738 -0.002 0.000 1.349 1018 Q HN 0.975 nan 8.270 nan 0.000 0.824 1019 Q N -0.141 119.718 119.800 0.098 0.000 2.241 1019 Q HA 0.748 5.088 4.340 -0.000 0.000 0.262 1019 Q C -2.319 173.815 176.000 0.223 0.000 1.014 1019 Q CA -2.159 53.735 55.803 0.152 0.000 0.885 1019 Q CB 1.730 30.524 28.738 0.094 0.000 1.311 1019 Q HN 0.043 nan 8.270 nan 0.000 0.461 1020 P HA 0.116 nan 4.420 nan 0.000 0.264 1020 P C -0.918 176.406 177.300 0.040 0.000 1.229 1020 P CA 0.518 63.679 63.100 0.102 0.000 0.780 1020 P CB 0.339 32.069 31.700 0.051 0.000 0.808 1021 L N 2.322 123.552 121.223 0.011 0.000 2.789 1021 L HA 0.591 4.931 4.340 -0.000 0.000 0.258 1021 L C -0.395 176.466 176.870 -0.014 0.000 0.966 1021 L CA -0.387 54.452 54.840 -0.002 0.000 0.916 1021 L CB 2.134 44.202 42.059 0.016 0.000 1.475 1021 L HN 0.684 nan 8.230 nan 0.000 0.418 1022 G N 1.021 109.809 108.800 -0.020 0.000 3.039 1022 G HA2 0.232 4.192 3.960 -0.000 0.000 0.686 1022 G HA3 0.232 4.192 3.960 -0.000 0.000 0.686 1022 G C -0.321 174.548 174.900 -0.052 0.000 1.066 1022 G CA -0.266 44.816 45.100 -0.030 0.000 0.774 1022 G HN 1.142 nan 8.290 nan 0.000 0.591 1023 G N 0.963 109.731 108.800 -0.054 0.000 3.881 1023 G HA2 0.547 4.507 3.960 -0.000 0.000 0.319 1023 G HA3 0.547 4.507 3.960 -0.000 0.000 0.319 1023 G C 0.469 175.313 174.900 -0.095 0.000 1.472 1023 G CA 0.063 45.117 45.100 -0.077 0.000 0.851 1023 G HN 0.742 nan 8.290 nan 0.000 0.495 1024 K N 0.579 120.925 120.400 -0.090 0.000 2.296 1024 K HA 0.261 4.581 4.320 -0.000 0.000 0.200 1024 K C 2.121 178.658 176.600 -0.104 0.000 1.048 1024 K CA 1.416 57.651 56.287 -0.086 0.000 0.966 1024 K CB 0.344 32.803 32.500 -0.068 0.000 0.754 1024 K HN 0.450 nan 8.250 nan 0.000 0.466 1025 A N -0.690 122.059 122.820 -0.119 0.000 2.009 1025 A HA 0.201 4.521 4.320 -0.000 0.000 0.197 1025 A C 0.148 177.619 177.584 -0.188 0.000 1.471 1025 A CA -0.043 51.915 52.037 -0.130 0.000 0.973 1025 A CB 0.398 19.339 19.000 -0.098 0.000 1.020 1025 A HN 0.117 nan 8.150 nan 0.000 0.476 1026 Q N -1.539 118.140 119.800 -0.201 0.000 2.668 1026 Q HA 0.664 5.004 4.340 -0.000 0.000 0.298 1026 Q C -0.627 175.218 176.000 -0.259 0.000 1.071 1026 Q CA -0.777 54.842 55.803 -0.306 0.000 0.789 1026 Q CB 0.788 29.437 28.738 -0.150 0.000 1.497 1026 Q HN 0.406 nan 8.270 nan 0.000 0.460 1027 F N -0.545 119.373 119.950 -0.053 0.000 2.266 1027 F HA 0.658 5.185 4.527 0.000 0.000 0.287 1027 F C 1.108 176.852 175.800 -0.093 0.000 1.255 1027 F CA -0.589 57.355 58.000 -0.093 0.000 1.201 1027 F CB -0.010 38.912 39.000 -0.129 0.000 1.450 1027 F HN 0.435 nan 8.300 nan 0.000 0.510 1028 G N -1.333 107.546 108.800 0.132 0.000 2.453 1028 G HA2 0.512 4.472 3.960 -0.000 0.000 0.323 1028 G HA3 0.512 4.472 3.960 -0.000 0.000 0.323 1028 G C -0.558 174.373 174.900 0.053 0.000 1.198 1028 G CA -0.754 44.370 45.100 0.041 0.000 0.959 1028 G HN 0.883 nan 8.290 nan 0.000 0.482 1029 G N -0.094 108.732 108.800 0.043 0.000 2.491 1029 G HA2 0.397 4.357 3.960 -0.000 0.000 0.238 1029 G HA3 0.397 4.357 3.960 -0.000 0.000 0.238 1029 G C 0.054 174.997 174.900 0.073 0.000 1.277 1029 G CA -0.122 45.015 45.100 0.061 0.000 0.851 1029 G HN 0.496 nan 8.290 nan 0.000 0.573 1030 Q N -0.353 119.495 119.800 0.080 0.000 2.392 1030 Q HA 0.314 4.654 4.340 -0.000 0.000 0.262 1030 Q C 0.662 176.721 176.000 0.098 0.000 1.003 1030 Q CA -0.042 55.811 55.803 0.083 0.000 0.888 1030 Q CB 0.884 29.667 28.738 0.076 0.000 1.260 1030 Q HN 0.711 nan 8.270 nan 0.000 0.435 1031 R N 0.369 120.923 120.500 0.089 0.000 2.428 1031 R HA 0.530 4.870 4.340 -0.000 0.000 0.294 1031 R C -1.054 175.336 176.300 0.150 0.000 1.000 1031 R CA -0.433 55.730 56.100 0.104 0.000 0.960 1031 R CB 0.517 30.850 30.300 0.055 0.000 1.076 1031 R HN 0.345 nan 8.270 nan 0.000 0.475 1032 F N 2.282 122.218 119.950 -0.024 0.000 2.313 1032 F HA 0.517 5.044 4.527 -0.000 0.000 0.369 1032 F C 0.589 176.349 175.800 -0.067 0.000 1.109 1032 F CA -0.445 57.532 58.000 -0.038 0.000 1.132 1032 F CB 1.020 40.004 39.000 -0.026 0.000 1.291 1032 F HN 0.852 nan 8.300 nan 0.000 0.496 1033 G N 3.595 112.235 108.800 -0.266 0.000 2.580 1033 G HA2 0.181 4.141 3.960 -0.000 0.000 0.278 1033 G HA3 0.181 4.141 3.960 -0.000 0.000 0.278 1033 G C 0.719 175.395 174.900 -0.373 0.000 1.212 1033 G CA -0.206 44.739 45.100 -0.259 0.000 0.939 1033 G HN 0.750 nan 8.290 nan 0.000 0.513 1034 E N -0.558 119.404 120.200 -0.398 0.000 2.160 1034 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 1034 E C 2.088 178.067 176.600 -1.035 0.000 0.991 1034 E CA 1.183 57.221 56.400 -0.602 0.000 0.810 1034 E CB -0.199 29.160 29.700 -0.569 0.000 0.742 1034 E HN 0.448 nan 8.360 nan 0.000 0.466 1035 M N 0.458 119.518 119.600 -0.900 0.000 2.229 1035 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 1035 M C 1.573 177.626 176.300 -0.412 0.000 1.063 1035 M CA 1.329 56.170 55.300 -0.766 0.000 1.114 1035 M CB -0.335 32.017 32.600 -0.412 0.000 1.387 1035 M HN 0.076 nan 8.290 nan 0.000 0.420 1036 E N 0.367 120.262 120.200 -0.508 0.000 2.208 1036 E HA -0.068 4.281 4.350 -0.000 0.000 0.193 1036 E C 2.122 178.518 176.600 -0.340 0.000 0.988 1036 E CA 0.722 56.774 56.400 -0.580 0.000 0.828 1036 E CB -0.188 28.718 29.700 -1.324 0.000 0.763 1036 E HN 0.240 nan 8.360 nan 0.000 0.478 1037 V N -0.063 119.687 119.914 -0.273 0.000 2.323 1037 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 1037 V C 1.740 177.922 176.094 0.147 0.000 1.041 1037 V CA 1.363 63.677 62.300 0.024 0.000 1.025 1037 V CB -0.582 31.231 31.823 -0.016 0.000 0.656 1037 V HN 0.383 nan 8.190 nan 0.000 0.451 1038 W N 0.607 121.909 121.300 0.003 0.000 2.318 1038 W HA -0.233 4.427 4.660 0.000 0.000 0.313 1038 W C 2.772 179.297 176.519 0.009 0.000 1.221 1038 W CA 1.722 59.067 57.345 -0.000 0.000 1.266 1038 W CB -1.638 27.807 29.460 -0.025 0.000 1.150 1038 W HN 0.323 nan 8.180 nan 0.000 0.496 1039 A N -0.028 122.934 122.820 0.236 0.000 1.902 1039 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 1039 A C 2.186 179.918 177.584 0.247 0.000 1.181 1039 A CA 1.566 53.702 52.037 0.165 0.000 0.623 1039 A CB -0.985 18.099 19.000 0.139 0.000 0.818 1039 A HN 0.169 nan 8.150 nan 0.000 0.443 1040 L N -0.550 120.844 121.223 0.284 0.000 2.056 1040 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 1040 L C 2.522 179.545 176.870 0.254 0.000 1.078 1040 L CA 1.886 56.918 54.840 0.320 0.000 0.749 1040 L CB -1.117 41.129 42.059 0.313 0.000 0.901 1040 L HN 0.556 nan 8.230 nan 0.000 0.433 1041 E N 0.055 120.379 120.200 0.206 0.000 2.085 1041 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 1041 E C 2.203 178.873 176.600 0.117 0.000 0.994 1041 E CA 1.337 57.829 56.400 0.153 0.000 0.801 1041 E CB -0.067 29.726 29.700 0.155 0.000 0.743 1041 E HN 0.486 nan 8.360 nan 0.000 0.453 1042 A N 0.421 123.296 122.820 0.091 0.000 1.968 1042 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 1042 A C 0.887 178.433 177.584 -0.062 0.000 1.169 1042 A CA 0.646 52.673 52.037 -0.017 0.000 0.638 1042 A CB -0.405 18.546 19.000 -0.082 0.000 0.812 1042 A HN 0.150 nan 8.150 nan 0.000 0.446 1043 Y N -0.969 119.367 120.300 0.060 0.000 2.158 1043 Y HA 0.297 4.847 4.550 0.000 0.000 0.365 1043 Y C 1.781 177.710 175.900 0.050 0.000 1.301 1043 Y CA 0.214 58.344 58.100 0.051 0.000 1.735 1043 Y CB 0.404 38.900 38.460 0.060 0.000 1.509 1043 Y HN 0.109 nan 8.280 nan 0.000 0.657 1044 G N -0.501 108.457 108.800 0.262 0.000 3.591 1044 G HA2 0.305 4.265 3.960 -0.000 0.000 0.282 1044 G HA3 0.305 4.265 3.960 -0.000 0.000 0.282 1044 G C 0.472 175.455 174.900 0.138 0.000 1.238 1044 G CA 0.203 45.395 45.100 0.153 0.000 0.993 1044 G HN 0.700 nan 8.290 nan 0.000 0.542 1045 A N 0.210 123.127 122.820 0.161 0.000 2.310 1045 A HA 0.608 4.928 4.320 -0.000 0.000 0.230 1045 A C 2.308 179.969 177.584 0.129 0.000 1.294 1045 A CA 1.063 53.171 52.037 0.119 0.000 0.898 1045 A CB -0.421 18.641 19.000 0.104 0.000 0.917 1045 A HN 0.991 nan 8.150 nan 0.000 0.491 1046 A N 0.490 123.395 122.820 0.142 0.000 1.698 1046 A HA -0.401 3.919 4.320 -0.000 0.000 0.315 1046 A C 1.886 179.519 177.584 0.081 0.000 3.574 1046 A CA 2.882 54.993 52.037 0.123 0.000 0.952 1046 A CB -1.334 17.784 19.000 0.197 0.000 0.759 1046 A HN 0.715 nan 8.150 nan 0.000 0.516 1047 H N -1.162 117.905 119.070 -0.006 0.000 2.333 1047 H HA 0.020 4.576 4.556 -0.000 0.000 0.302 1047 H C 2.426 177.733 175.328 -0.037 0.000 1.075 1047 H CA 1.785 57.820 56.048 -0.021 0.000 1.348 1047 H CB -0.985 28.763 29.762 -0.022 0.000 1.393 1047 H HN 0.571 nan 8.280 nan 0.000 0.509 1048 T N 1.244 115.861 114.554 0.104 0.000 2.737 1048 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 1048 T C 2.111 176.784 174.700 -0.045 0.000 1.040 1048 T CA 1.441 63.546 62.100 0.009 0.000 1.142 1048 T CB -0.419 68.448 68.868 -0.003 0.000 0.861 1048 T HN 0.158 nan 8.240 nan 0.000 0.456 1049 L N 0.747 121.972 121.223 0.003 0.000 2.005 1049 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 1049 L C 2.718 179.555 176.870 -0.055 0.000 1.072 1049 L CA 1.804 56.638 54.840 -0.011 0.000 0.744 1049 L CB -0.608 41.495 42.059 0.074 0.000 0.895 1049 L HN 0.198 nan 8.230 nan 0.000 0.433 1050 Q N -0.410 119.363 119.800 -0.045 0.000 2.112 1050 Q HA -0.304 4.036 4.340 -0.000 0.000 0.206 1050 Q C 2.151 178.108 176.000 -0.071 0.000 0.987 1050 Q CA 2.268 58.029 55.803 -0.070 0.000 0.858 1050 Q CB -0.248 28.422 28.738 -0.113 0.000 0.905 1050 Q HN 0.649 nan 8.270 nan 0.000 0.420 1051 E N -0.059 120.104 120.200 -0.063 0.000 2.070 1051 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 1051 E C 1.904 178.441 176.600 -0.105 0.000 1.004 1051 E CA 1.601 57.962 56.400 -0.065 0.000 0.805 1051 E CB -0.117 29.551 29.700 -0.053 0.000 0.744 1051 E HN 0.403 nan 8.360 nan 0.000 0.451 1052 M N -0.116 119.374 119.600 -0.182 0.000 2.539 1052 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 1052 M C 0.850 177.057 176.300 -0.154 0.000 1.069 1052 M CA 0.721 55.859 55.300 -0.271 0.000 1.081 1052 M CB 0.357 32.583 32.600 -0.624 0.000 1.412 1052 M HN 0.029 nan 8.290 nan 0.000 0.482 1053 L N -2.032 119.135 121.223 -0.094 0.000 2.731 1053 L HA 0.184 4.524 4.340 -0.000 0.000 0.240 1053 L C 1.756 178.604 176.870 -0.037 0.000 1.120 1053 L CA 0.682 55.494 54.840 -0.046 0.000 0.913 1053 L CB -0.329 41.712 42.059 -0.030 0.000 1.213 1053 L HN 0.354 nan 8.230 nan 0.000 0.515 1054 T N -3.263 111.264 114.554 -0.045 0.000 3.409 1054 T HA 0.132 4.482 4.350 -0.000 0.000 0.188 1054 T C 1.559 176.237 174.700 -0.037 0.000 0.929 1054 T CA 0.545 62.623 62.100 -0.037 0.000 1.184 1054 T CB -0.699 68.147 68.868 -0.037 0.000 1.570 1054 T HN 0.030 nan 8.240 nan 0.000 0.367 1055 I N 0.118 120.669 120.570 -0.032 0.000 3.164 1055 I HA 0.292 4.462 4.170 -0.000 0.000 0.278 1055 I C 1.528 177.639 176.117 -0.009 0.000 1.320 1055 I CA 0.958 62.245 61.300 -0.022 0.000 1.422 1055 I CB -0.515 37.479 38.000 -0.010 0.000 1.066 1055 I HN 0.177 nan 8.210 nan 0.000 0.503 1056 K N -0.453 119.939 120.400 -0.013 0.000 2.438 1056 K HA 0.324 4.644 4.320 -0.000 0.000 0.206 1056 K C 0.737 177.365 176.600 0.047 0.000 1.081 1056 K CA -0.031 56.267 56.287 0.019 0.000 1.053 1056 K CB 0.728 33.220 32.500 -0.014 0.000 0.908 1056 K HN 0.303 nan 8.250 nan 0.000 0.556 1057 S N 0.448 116.154 115.700 0.009 0.000 3.830 1057 S HA 0.013 4.483 4.470 -0.000 0.000 0.172 1057 S C -0.102 174.472 174.600 -0.043 0.000 0.966 1057 S CA -0.231 57.984 58.200 0.025 0.000 1.124 1057 S CB 0.265 63.479 63.200 0.023 0.000 1.697 1057 S HN 0.243 nan 8.310 nan 0.000 0.872 1058 D N 1.021 121.396 120.400 -0.042 0.000 2.349 1058 D HA 0.118 4.758 4.640 -0.000 0.000 0.214 1058 D C -0.167 176.082 176.300 -0.085 0.000 1.063 1058 D CA 0.100 54.060 54.000 -0.065 0.000 0.847 1058 D CB -0.171 40.615 40.800 -0.023 0.000 0.933 1058 D HN 0.241 nan 8.370 nan 0.000 0.513 1059 D N 1.129 121.480 120.400 -0.081 0.000 3.032 1059 D HA 0.071 4.711 4.640 -0.000 0.000 0.241 1059 D C 1.641 177.890 176.300 -0.085 0.000 1.196 1059 D CA -0.208 53.753 54.000 -0.066 0.000 0.927 1059 D CB -0.041 40.732 40.800 -0.046 0.000 1.129 1059 D HN 0.102 nan 8.370 nan 0.000 0.458 1060 I N 0.400 120.902 120.570 -0.113 0.000 2.267 1060 I HA -0.413 3.757 4.170 -0.000 0.000 0.239 1060 I C 2.487 178.554 176.117 -0.083 0.000 0.984 1060 I CA 1.502 62.725 61.300 -0.128 0.000 1.272 1060 I CB -0.353 37.584 38.000 -0.105 0.000 0.976 1060 I HN 0.257 nan 8.210 nan 0.000 0.407 1061 E N 0.673 120.841 120.200 -0.053 0.000 2.021 1061 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 1061 E C 2.300 178.884 176.600 -0.027 0.000 1.015 1061 E CA 2.039 58.419 56.400 -0.033 0.000 0.824 1061 E CB -0.522 29.163 29.700 -0.025 0.000 0.762 1061 E HN 0.642 nan 8.360 nan 0.000 0.454 1062 G N 0.626 109.409 108.800 -0.028 0.000 2.464 1062 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 1062 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 1062 G C 1.606 176.498 174.900 -0.013 0.000 1.138 1062 G CA 0.672 45.762 45.100 -0.017 0.000 0.793 1062 G HN 0.207 nan 8.290 nan 0.000 0.539 1063 R N 0.748 121.225 120.500 -0.039 0.000 2.096 1063 R HA -0.108 4.232 4.340 -0.000 0.000 0.240 1063 R C 2.190 178.493 176.300 0.004 0.000 1.139 1063 R CA 1.911 57.984 56.100 -0.045 0.000 0.952 1063 R CB -0.417 29.793 30.300 -0.150 0.000 0.854 1063 R HN 0.305 nan 8.270 nan 0.000 0.436 1064 N N 0.049 118.741 118.700 -0.013 0.000 2.216 1064 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 1064 N C 1.728 177.282 175.510 0.072 0.000 1.017 1064 N CA 1.173 54.240 53.050 0.029 0.000 0.861 1064 N CB -0.127 38.354 38.487 -0.010 0.000 0.986 1064 N HN 0.368 nan 8.380 nan 0.000 0.428 1065 A N 1.558 124.401 122.820 0.039 0.000 1.940 1065 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 1065 A C 2.412 180.024 177.584 0.048 0.000 1.176 1065 A CA 1.801 53.861 52.037 0.038 0.000 0.631 1065 A CB -0.666 18.344 19.000 0.017 0.000 0.814 1065 A HN 0.332 nan 8.150 nan 0.000 0.446 1066 A N -1.167 121.684 122.820 0.053 0.000 1.841 1066 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 1066 A C 2.161 179.787 177.584 0.069 0.000 1.199 1066 A CA 1.746 53.813 52.037 0.051 0.000 0.621 1066 A CB -1.155 17.878 19.000 0.055 0.000 0.835 1066 A HN 0.709 nan 8.150 nan 0.000 0.445 1067 Y N -0.111 120.197 120.300 0.012 0.000 2.114 1067 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 1067 Y C 2.816 178.725 175.900 0.014 0.000 1.165 1067 Y CA 2.506 60.619 58.100 0.021 0.000 1.148 1067 Y CB -0.180 38.300 38.460 0.035 0.000 0.972 1067 Y HN 0.328 nan 8.280 nan 0.000 0.504 1068 Q N 0.417 120.358 119.800 0.235 0.000 2.045 1068 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 1068 Q C 2.532 178.547 176.000 0.025 0.000 0.991 1068 Q CA 1.853 57.738 55.803 0.136 0.000 0.851 1068 Q CB -1.031 27.768 28.738 0.102 0.000 0.911 1068 Q HN 0.627 nan 8.270 nan 0.000 0.418 1069 A N 0.587 123.414 122.820 0.012 0.000 1.884 1069 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 1069 A C 2.219 179.772 177.584 -0.051 0.000 1.197 1069 A CA 2.078 54.106 52.037 -0.015 0.000 0.637 1069 A CB -0.957 18.038 19.000 -0.008 0.000 0.827 1069 A HN 0.429 nan 8.150 nan 0.000 0.450 1070 I N -1.126 119.386 120.570 -0.095 0.000 2.252 1070 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 1070 I C 2.223 178.250 176.117 -0.151 0.000 1.102 1070 I CA 0.944 62.166 61.300 -0.131 0.000 1.385 1070 I CB -0.394 37.501 38.000 -0.176 0.000 1.064 1070 I HN 0.215 nan 8.210 nan 0.000 0.414 1071 I N 0.878 121.324 120.570 -0.207 0.000 2.185 1071 I HA -0.334 3.836 4.170 -0.000 0.000 0.246 1071 I C 2.467 178.544 176.117 -0.067 0.000 1.088 1071 I CA 1.746 62.957 61.300 -0.149 0.000 1.347 1071 I CB -0.496 37.447 38.000 -0.094 0.000 1.041 1071 I HN 0.135 nan 8.210 nan 0.000 0.415 1072 K N -0.374 119.997 120.400 -0.048 0.000 2.116 1072 K HA 0.082 4.402 4.320 -0.000 0.000 0.203 1072 K C 0.930 177.511 176.600 -0.031 0.000 1.052 1072 K CA 1.022 57.293 56.287 -0.026 0.000 0.952 1072 K CB -0.008 32.484 32.500 -0.013 0.000 0.729 1072 K HN 0.448 nan 8.250 nan 0.000 0.446 1073 G N 2.312 111.087 108.800 -0.041 0.000 2.526 1073 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.225 1073 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.225 1073 G C -0.854 174.029 174.900 -0.027 0.000 1.120 1073 G CA -0.246 44.832 45.100 -0.036 0.000 0.904 1073 G HN 0.318 nan 8.290 nan 0.000 0.498 1074 E N -0.199 119.985 120.200 -0.028 0.000 2.256 1074 E HA 0.548 4.898 4.350 -0.000 0.000 0.267 1074 E C 0.509 177.097 176.600 -0.021 0.000 0.892 1074 E CA -0.202 56.187 56.400 -0.019 0.000 0.775 1074 E CB 1.273 30.965 29.700 -0.013 0.000 1.207 1074 E HN 0.372 nan 8.360 nan 0.000 0.420 1075 D N 3.042 123.433 120.400 -0.016 0.000 2.826 1075 D HA 0.261 4.901 4.640 -0.000 0.000 0.229 1075 D C 0.871 177.164 176.300 -0.012 0.000 1.091 1075 D CA 0.416 54.406 54.000 -0.017 0.000 1.061 1075 D CB -1.221 39.569 40.800 -0.016 0.000 1.155 1075 D HN 0.407 nan 8.370 nan 0.000 0.450 1076 V N -1.895 118.010 119.914 -0.014 0.000 0.692 1076 V HA -0.319 3.801 4.120 -0.000 0.000 0.092 1076 V C -0.909 175.186 176.094 0.002 0.000 0.767 1076 V CA 0.857 63.153 62.300 -0.007 0.000 3.096 1076 V CB -1.642 30.177 31.823 -0.007 0.000 0.182 1076 V HN 0.516 nan 8.190 nan 0.000 0.059 1077 P HA 0.267 nan 4.420 nan 0.000 0.200 1077 P C 0.207 177.516 177.300 0.014 0.000 1.109 1077 P CA 1.181 64.287 63.100 0.010 0.000 0.908 1077 P CB 0.194 31.899 31.700 0.009 0.000 0.746 1078 E N -0.663 119.549 120.200 0.020 0.000 2.260 1078 E HA -0.027 4.323 4.350 -0.000 0.000 0.267 1078 E C -2.155 174.450 176.600 0.009 0.000 1.117 1078 E CA -0.220 56.195 56.400 0.025 0.000 0.773 1078 E CB -1.500 28.216 29.700 0.027 0.000 1.259 1078 E HN 0.332 nan 8.360 nan 0.000 0.414 1079 P HA -0.051 nan 4.420 nan 0.000 0.257 1079 P C 0.806 178.097 177.300 -0.015 0.000 1.359 1079 P CA 0.473 63.566 63.100 -0.011 0.000 1.239 1079 P CB 0.681 32.370 31.700 -0.017 0.000 1.549 1080 S N 2.125 117.819 115.700 -0.010 0.000 2.359 1080 S HA -0.086 4.384 4.470 -0.000 0.000 0.222 1080 S C 1.032 175.630 174.600 -0.004 0.000 1.038 1080 S CA 0.790 58.986 58.200 -0.007 0.000 1.051 1080 S CB -0.627 62.570 63.200 -0.005 0.000 0.944 1080 S HN 0.309 nan 8.310 nan 0.000 0.433 1081 V N 4.010 123.919 119.914 -0.010 0.000 2.384 1081 V HA 0.411 4.531 4.120 -0.000 0.000 0.287 1081 V C -2.662 173.434 176.094 0.002 0.000 1.020 1081 V CA -2.100 60.205 62.300 0.007 0.000 0.850 1081 V CB 1.076 32.874 31.823 -0.042 0.000 0.987 1081 V HN 0.179 nan 8.190 nan 0.000 0.436 1082 P HA 0.202 nan 4.420 nan 0.000 0.271 1082 P C 0.944 178.263 177.300 0.031 0.000 1.226 1082 P CA -0.076 63.035 63.100 0.018 0.000 0.765 1082 P CB 0.826 32.530 31.700 0.007 0.000 0.835 1083 E N 1.786 121.984 120.200 -0.003 0.000 2.086 1083 E HA -0.278 4.072 4.350 -0.000 0.000 0.205 1083 E C 1.722 178.339 176.600 0.027 0.000 1.027 1083 E CA 2.332 58.727 56.400 -0.009 0.000 0.830 1083 E CB -0.276 29.416 29.700 -0.013 0.000 0.751 1083 E HN 0.597 nan 8.360 nan 0.000 0.456 1084 S N 0.083 115.807 115.700 0.041 0.000 2.465 1084 S HA -0.173 4.297 4.470 -0.000 0.000 0.241 1084 S C 1.745 176.431 174.600 0.142 0.000 1.000 1084 S CA 0.717 58.955 58.200 0.063 0.000 0.964 1084 S CB -0.311 62.909 63.200 0.034 0.000 0.763 1084 S HN 0.251 nan 8.310 nan 0.000 0.512 1085 F N 3.274 123.189 119.950 -0.058 0.000 2.149 1085 F HA 0.225 4.752 4.527 -0.000 0.000 0.294 1085 F C 2.449 178.202 175.800 -0.079 0.000 1.095 1085 F CA 0.432 58.392 58.000 -0.067 0.000 1.276 1085 F CB -0.591 38.353 39.000 -0.094 0.000 1.023 1085 F HN 0.119 nan 8.300 nan 0.000 0.480 1086 R N 0.001 120.449 120.500 -0.086 0.000 2.096 1086 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 1086 R C 2.125 178.465 176.300 0.067 0.000 1.127 1086 R CA 1.551 57.492 56.100 -0.264 0.000 0.968 1086 R CB -1.220 28.854 30.300 -0.377 0.000 0.861 1086 R HN 0.241 nan 8.270 nan 0.000 0.440 1087 V N 1.627 121.587 119.914 0.077 0.000 2.626 1087 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 1087 V C 2.281 178.440 176.094 0.108 0.000 1.067 1087 V CA 1.149 63.508 62.300 0.098 0.000 1.081 1087 V CB -0.482 31.383 31.823 0.069 0.000 0.686 1087 V HN 0.159 nan 8.190 nan 0.000 0.468 1088 L N -0.241 121.060 121.223 0.131 0.000 1.993 1088 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 1088 L C 2.406 179.351 176.870 0.125 0.000 1.074 1088 L CA 1.718 56.642 54.840 0.141 0.000 0.746 1088 L CB -0.554 41.631 42.059 0.209 0.000 0.896 1088 L HN 0.056 nan 8.230 nan 0.000 0.435 1089 V N 0.489 120.472 119.914 0.115 0.000 2.252 1089 V HA -0.435 3.685 4.120 -0.000 0.000 0.255 1089 V C 2.797 178.952 176.094 0.102 0.000 1.071 1089 V CA 2.380 64.740 62.300 0.100 0.000 1.050 1089 V CB -0.718 31.179 31.823 0.123 0.000 0.654 1089 V HN 0.492 nan 8.190 nan 0.000 0.448 1090 K N -0.381 120.098 120.400 0.133 0.000 2.007 1090 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 1090 K C 2.013 178.635 176.600 0.038 0.000 1.047 1090 K CA 1.495 57.819 56.287 0.062 0.000 0.937 1090 K CB -0.587 31.956 32.500 0.071 0.000 0.718 1090 K HN 0.651 nan 8.250 nan 0.000 0.438 1091 E N 1.279 121.510 120.200 0.052 0.000 2.187 1091 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 1091 E C 2.219 178.837 176.600 0.030 0.000 1.004 1091 E CA 1.011 57.434 56.400 0.037 0.000 0.813 1091 E CB -0.440 29.286 29.700 0.043 0.000 0.736 1091 E HN 0.285 nan 8.360 nan 0.000 0.468 1092 L N 0.896 122.142 121.223 0.038 0.000 2.044 1092 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 1092 L C 2.747 179.627 176.870 0.016 0.000 1.075 1092 L CA 1.208 56.067 54.840 0.032 0.000 0.747 1092 L CB -0.530 41.555 42.059 0.044 0.000 0.903 1092 L HN 0.068 nan 8.230 nan 0.000 0.435 1093 Q N 0.312 120.116 119.800 0.007 0.000 2.096 1093 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 1093 Q C 2.198 178.189 176.000 -0.016 0.000 0.982 1093 Q CA 1.625 57.420 55.803 -0.014 0.000 0.850 1093 Q CB -0.410 28.303 28.738 -0.041 0.000 0.901 1093 Q HN 0.556 nan 8.270 nan 0.000 0.422 1094 A N 0.230 123.043 122.820 -0.012 0.000 2.259 1094 A HA -0.058 4.262 4.320 -0.000 0.000 0.212 1094 A C 1.476 179.058 177.584 -0.004 0.000 1.178 1094 A CA 0.712 52.742 52.037 -0.010 0.000 0.734 1094 A CB 0.003 18.999 19.000 -0.006 0.000 0.774 1094 A HN 0.210 nan 8.150 nan 0.000 0.481 1095 L N -3.363 117.859 121.223 -0.000 0.000 2.966 1095 L HA 0.553 4.893 4.340 -0.000 0.000 0.262 1095 L C 1.085 177.955 176.870 0.001 0.000 1.165 1095 L CA 0.769 55.611 54.840 0.003 0.000 0.978 1095 L CB -0.497 41.567 42.059 0.009 0.000 1.337 1095 L HN 0.730 nan 8.230 nan 0.000 0.563 1096 A N -0.630 122.188 122.820 -0.003 0.000 4.951 1096 A HA -0.187 4.133 4.320 -0.000 0.000 0.255 1096 A C 0.125 177.709 177.584 -0.001 0.000 2.318 1096 A CA 0.009 52.043 52.037 -0.004 0.000 0.714 1096 A CB -1.573 17.426 19.000 -0.002 0.000 1.005 1096 A HN 0.290 nan 8.150 nan 0.000 0.316 1097 L N -0.141 121.084 121.223 0.003 0.000 3.325 1097 L HA -0.238 4.102 4.340 -0.000 0.000 0.562 1097 L C 0.801 177.676 176.870 0.008 0.000 1.004 1097 L CA 0.965 55.810 54.840 0.009 0.000 1.212 1097 L CB -1.540 40.528 42.059 0.015 0.000 1.097 1097 L HN 0.986 nan 8.230 nan 0.000 0.613 1098 D N 2.409 122.813 120.400 0.006 0.000 2.160 1098 D HA -0.170 4.470 4.640 -0.000 0.000 0.189 1098 D C 0.913 177.219 176.300 0.010 0.000 1.003 1098 D CA 2.002 56.004 54.000 0.004 0.000 0.846 1098 D CB 0.194 40.996 40.800 0.004 0.000 0.949 1098 D HN 0.493 nan 8.370 nan 0.000 0.446 1099 V N 0.626 120.552 119.914 0.021 0.000 4.438 1099 V HA -0.264 3.856 4.120 -0.000 0.000 0.425 1099 V C -0.289 175.823 176.094 0.029 0.000 0.682 1099 V CA 1.220 63.540 62.300 0.034 0.000 1.725 1099 V CB -1.701 30.147 31.823 0.042 0.000 2.088 1099 V HN 0.583 nan 8.190 nan 0.000 0.484 1100 Q N 2.633 122.452 119.800 0.032 0.000 2.347 1100 Q HA 0.821 5.161 4.340 -0.000 0.000 0.271 1100 Q C -0.492 175.530 176.000 0.036 0.000 1.064 1100 Q CA -0.777 55.042 55.803 0.027 0.000 0.800 1100 Q CB 2.317 31.067 28.738 0.019 0.000 1.304 1100 Q HN 0.532 nan 8.270 nan 0.000 0.438 1101 T N 2.508 117.079 114.554 0.028 0.000 2.909 1101 T HA 0.637 4.987 4.350 -0.000 0.000 0.289 1101 T C -0.384 174.340 174.700 0.041 0.000 1.005 1101 T CA -0.481 61.645 62.100 0.043 0.000 1.084 1101 T CB 0.420 69.297 68.868 0.014 0.000 0.975 1101 T HN 0.472 nan 8.240 nan 0.000 0.509 1102 L N 2.516 123.770 121.223 0.052 0.000 2.455 1102 L HA 0.417 4.757 4.340 -0.000 0.000 0.264 1102 L C -0.206 176.688 176.870 0.041 0.000 0.968 1102 L CA -1.003 53.861 54.840 0.039 0.000 0.827 1102 L CB 2.185 44.264 42.059 0.034 0.000 1.317 1102 L HN 0.741 nan 8.230 nan 0.000 0.407 1103 D N 0.169 120.587 120.400 0.032 0.000 2.440 1103 D HA 0.099 4.739 4.640 -0.000 0.000 0.269 1103 D C 0.949 177.263 176.300 0.023 0.000 1.249 1103 D CA -0.430 53.587 54.000 0.028 0.000 1.055 1103 D CB 0.570 41.384 40.800 0.023 0.000 1.104 1103 D HN 0.584 nan 8.370 nan 0.000 0.561 1104 E N -0.587 119.624 120.200 0.020 0.000 2.021 1104 E HA -0.273 4.077 4.350 -0.000 0.000 0.200 1104 E C 2.185 178.794 176.600 0.015 0.000 1.015 1104 E CA 3.131 59.541 56.400 0.016 0.000 0.824 1104 E CB -0.666 29.042 29.700 0.014 0.000 0.762 1104 E HN 0.470 nan 8.360 nan 0.000 0.454 1105 K N 0.502 120.910 120.400 0.013 0.000 2.360 1105 K HA -0.080 4.240 4.320 -0.000 0.000 0.201 1105 K C 0.685 177.292 176.600 0.012 0.000 1.046 1105 K CA 1.461 57.755 56.287 0.012 0.000 0.945 1105 K CB -0.795 31.711 32.500 0.010 0.000 0.750 1105 K HN 0.597 nan 8.250 nan 0.000 0.464 1106 D N -0.353 120.056 120.400 0.015 0.000 2.857 1106 D HA -0.099 4.541 4.640 -0.000 0.000 0.230 1106 D C -1.142 175.167 176.300 0.015 0.000 1.046 1106 D CA 0.736 54.746 54.000 0.016 0.000 0.780 1106 D CB -1.346 39.463 40.800 0.015 0.000 1.054 1106 D HN 0.830 nan 8.370 nan 0.000 0.438 1107 N N -0.227 118.482 118.700 0.016 0.000 2.296 1107 N HA 0.549 5.289 4.740 -0.000 0.000 0.294 1107 N C -3.063 172.457 175.510 0.017 0.000 1.033 1107 N CA -1.778 51.281 53.050 0.014 0.000 0.839 1107 N CB 1.864 40.358 38.487 0.012 0.000 1.395 1107 N HN -0.184 nan 8.380 nan 0.000 0.479 1108 P HA -0.122 nan 4.420 nan 0.000 0.263 1108 P C 0.530 177.841 177.300 0.017 0.000 1.162 1108 P CA 0.032 63.143 63.100 0.017 0.000 0.758 1108 P CB 0.946 32.654 31.700 0.014 0.000 0.773 1109 V N 2.239 122.164 119.914 0.019 0.000 3.048 1109 V HA 0.084 4.204 4.120 -0.000 0.000 0.241 1109 V C 0.054 176.156 176.094 0.014 0.000 1.129 1109 V CA 1.148 63.459 62.300 0.017 0.000 1.128 1109 V CB -0.779 31.058 31.823 0.023 0.000 0.849 1109 V HN 0.852 nan 8.190 nan 0.000 0.475 1110 D N -0.618 119.790 120.400 0.013 0.000 9.936 1110 D HA -0.197 4.443 4.640 -0.000 0.000 0.297 1110 D C 0.132 176.424 176.300 -0.013 0.000 2.809 1110 D CA 1.043 55.058 54.000 0.024 0.000 2.577 1110 D CB -0.573 40.252 40.800 0.040 0.000 1.078 1110 D HN 0.478 nan 8.370 nan 0.000 0.807 1111 I N -0.099 120.437 120.570 -0.056 0.000 4.139 1111 I HA 0.330 4.500 4.170 -0.000 0.000 0.335 1111 I C 0.850 176.779 176.117 -0.312 0.000 1.327 1111 I CA -0.441 60.724 61.300 -0.224 0.000 1.112 1111 I CB -0.048 37.678 38.000 -0.457 0.000 1.058 1111 I HN 0.190 nan 8.210 nan 0.000 0.396 1112 F N 1.782 121.678 119.950 -0.090 0.000 2.681 1112 F HA 0.372 4.899 4.527 -0.000 0.000 0.171 1112 F C 1.819 177.593 175.800 -0.043 0.000 1.088 1112 F CA 0.852 58.812 58.000 -0.067 0.000 0.948 1112 F CB -0.076 38.883 39.000 -0.069 0.000 2.226 1112 F HN 0.164 nan 8.300 nan 0.000 0.648 1113 E N -0.248 120.088 120.200 0.225 0.000 4.304 1113 E HA -0.115 4.235 4.350 -0.000 0.000 0.400 1113 E C 0.084 176.731 176.600 0.077 0.000 0.572 1113 E CA 0.673 57.133 56.400 0.100 0.000 1.465 1113 E CB -1.904 27.831 29.700 0.059 0.000 1.881 1113 E HN 0.693 nan 8.360 nan 0.000 0.353 1114 G N 0.000 108.865 108.800 0.108 0.000 5.446 1114 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1114 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1114 G CA 0.000 45.145 45.100 0.074 0.000 0.502 1114 G HN 0.000 nan 8.290 nan 0.000 0.925