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 2yu9_1_A DATA FIRST_RESID 3 DATA SEQUENCE GQQYSSAPLR TVKEVQFGLF SPEEVRAISV AKIRFPETMD ETQTRAKIGG DATA SEQUENCE LNDPRLGSID RNLKcQTCQE GMNEcPGHFG HIDLAKPVFH VGFIAKIKKV DATA SEQUENCE CECVCMHCGK LLLDEHNELM RQALAIKDSK KRFAAIWTLC KTKMVCETDV DATA SEQUENCE PSXXXXXXLV SRGGCGNTQP TIRKDGLKLV GSWKXXXXXX XXXXXXLRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLN TFHFAGVASK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VRXXXXXXXX DATA SEQUENCE XAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMIDEESL 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.914 174.900 0.024 0.000 0.946 3 G CA 0.000 45.113 45.100 0.021 0.000 0.502 4 Q N -0.525 119.293 119.800 0.030 0.000 3.036 4 Q HA 0.538 4.877 4.340 -0.001 0.000 0.195 4 Q C -0.060 175.967 176.000 0.045 0.000 1.139 4 Q CA -0.849 54.973 55.803 0.031 0.000 0.544 4 Q CB 0.477 29.232 28.738 0.027 0.000 4.824 4 Q HN 0.131 nan 8.270 nan 0.000 0.325 5 Q N -0.167 119.661 119.800 0.047 0.000 2.397 5 Q HA 0.195 4.534 4.340 -0.001 0.000 0.193 5 Q C -1.176 174.898 176.000 0.122 0.000 1.083 5 Q CA -0.129 55.715 55.803 0.068 0.000 1.108 5 Q CB 0.486 29.248 28.738 0.039 0.000 1.172 5 Q HN 0.568 nan 8.270 nan 0.000 0.617 6 Y N -0.512 119.789 120.300 0.002 0.000 2.341 6 Y HA 0.364 4.914 4.550 -0.001 0.000 0.338 6 Y C -0.766 175.136 175.900 0.004 0.000 0.965 6 Y CA -0.452 57.650 58.100 0.002 0.000 1.108 6 Y CB 1.599 40.059 38.460 0.001 0.000 1.180 6 Y HN 0.419 nan 8.280 nan 0.000 0.458 7 S N 2.853 118.248 115.700 -0.508 0.000 2.475 7 S HA 0.286 4.756 4.470 -0.001 0.000 0.298 7 S C 0.450 174.614 174.600 -0.727 0.000 1.119 7 S CA -0.174 57.707 58.200 -0.531 0.000 1.085 7 S CB 0.971 64.051 63.200 -0.201 0.000 1.028 7 S HN 0.853 nan 8.310 nan 0.000 0.489 8 S N 2.968 118.336 115.700 -0.552 0.000 2.575 8 S HA 0.354 4.823 4.470 -0.001 0.000 0.215 8 S C 0.540 175.067 174.600 -0.121 0.000 0.966 8 S CA -0.106 57.905 58.200 -0.315 0.000 0.911 8 S CB 0.008 63.083 63.200 -0.208 0.000 0.780 8 S HN 0.873 nan 8.310 nan 0.000 0.514 9 A N 3.042 125.793 122.820 -0.115 0.000 2.260 9 A HA 0.659 4.978 4.320 -0.001 0.000 0.312 9 A C -2.252 175.316 177.584 -0.028 0.000 1.321 9 A CA -1.540 50.465 52.037 -0.054 0.000 0.928 9 A CB -0.402 18.567 19.000 -0.051 0.000 1.158 9 A HN 0.271 nan 8.150 nan 0.000 0.542 10 P HA 0.119 nan 4.420 nan 0.000 0.264 10 P C -0.350 176.956 177.300 0.010 0.000 1.179 10 P CA -0.041 63.067 63.100 0.014 0.000 0.763 10 P CB 0.308 32.018 31.700 0.017 0.000 0.806 11 L N 3.463 124.697 121.223 0.019 0.000 2.278 11 L HA 0.377 4.716 4.340 -0.001 0.000 0.287 11 L C 0.154 177.032 176.870 0.013 0.000 1.072 11 L CA 0.146 54.996 54.840 0.016 0.000 0.819 11 L CB 0.280 42.352 42.059 0.023 0.000 1.176 11 L HN 0.222 nan 8.230 nan 0.000 0.435 12 R N 1.857 122.362 120.500 0.008 0.000 2.797 12 R HA 0.677 5.016 4.340 -0.001 0.000 0.251 12 R C 0.146 176.449 176.300 0.004 0.000 1.107 12 R CA -0.018 56.086 56.100 0.006 0.000 1.084 12 R CB 1.267 31.569 30.300 0.004 0.000 1.205 12 R HN 0.815 nan 8.270 nan 0.000 0.515 13 T N -2.428 112.127 114.554 0.003 0.000 2.810 13 T HA 0.406 4.755 4.350 -0.001 0.000 0.277 13 T C 0.184 174.882 174.700 -0.003 0.000 0.973 13 T CA -0.787 61.313 62.100 0.000 0.000 0.949 13 T CB 0.720 69.587 68.868 -0.001 0.000 1.075 13 T HN 0.097 nan 8.240 nan 0.000 0.537 14 V N 2.006 121.917 119.914 -0.005 0.000 2.607 14 V HA 0.362 4.481 4.120 -0.001 0.000 0.289 14 V C 0.817 176.907 176.094 -0.007 0.000 1.053 14 V CA -0.337 61.957 62.300 -0.010 0.000 0.996 14 V CB 1.375 33.189 31.823 -0.014 0.000 0.995 14 V HN 0.923 nan 8.190 nan 0.000 0.476 15 K N 2.244 122.639 120.400 -0.008 0.000 2.574 15 K HA 0.300 4.619 4.320 -0.001 0.000 0.215 15 K C 0.113 176.714 176.600 0.001 0.000 1.485 15 K CA 0.063 56.350 56.287 -0.001 0.000 1.006 15 K CB 1.434 33.936 32.500 0.003 0.000 1.254 15 K HN 0.739 nan 8.250 nan 0.000 0.580 16 E N 1.157 121.352 120.200 -0.009 0.000 2.349 16 E HA 0.188 4.538 4.350 -0.001 0.000 0.290 16 E C -1.642 174.932 176.600 -0.043 0.000 0.901 16 E CA -0.224 56.171 56.400 -0.008 0.000 0.800 16 E CB 1.942 31.648 29.700 0.009 0.000 1.303 16 E HN -0.248 nan 8.360 nan 0.000 0.397 17 V N 4.165 124.042 119.914 -0.062 0.000 2.333 17 V HA 0.221 4.340 4.120 -0.001 0.000 0.274 17 V C -0.072 175.889 176.094 -0.222 0.000 1.028 17 V CA -0.478 61.713 62.300 -0.180 0.000 0.851 17 V CB 1.215 32.911 31.823 -0.212 0.000 1.000 17 V HN 0.600 nan 8.190 nan 0.000 0.456 18 Q N 4.412 124.058 119.800 -0.257 0.000 2.278 18 Q HA 0.523 4.863 4.340 -0.001 0.000 0.257 18 Q C -1.235 174.554 176.000 -0.353 0.000 0.928 18 Q CA -0.050 55.654 55.803 -0.165 0.000 0.932 18 Q CB 1.036 29.734 28.738 -0.067 0.000 1.221 18 Q HN 0.529 nan 8.270 nan 0.000 0.434 19 F N 1.722 121.679 119.950 0.011 0.000 2.432 19 F HA 0.848 5.374 4.527 -0.001 0.000 0.329 19 F C 1.130 176.927 175.800 -0.005 0.000 1.076 19 F CA 0.430 58.428 58.000 -0.004 0.000 1.018 19 F CB 2.163 41.182 39.000 0.030 0.000 1.201 19 F HN 0.674 nan 8.300 nan 0.000 0.489 20 G N 1.086 109.979 108.800 0.156 0.000 2.694 20 G HA2 0.598 4.557 3.960 -0.001 0.000 0.246 20 G HA3 0.598 4.557 3.960 -0.001 0.000 0.246 20 G C -2.061 172.881 174.900 0.069 0.000 1.205 20 G CA -0.593 44.554 45.100 0.078 0.000 0.891 20 G HN 0.591 nan 8.290 nan 0.000 0.515 21 L N -1.288 119.932 121.223 -0.004 0.000 2.389 21 L HA 0.753 5.092 4.340 -0.001 0.000 0.249 21 L C -1.449 175.271 176.870 -0.251 0.000 1.083 21 L CA -0.988 53.860 54.840 0.012 0.000 0.876 21 L CB 2.537 44.683 42.059 0.145 0.000 1.489 21 L HN 0.439 nan 8.230 nan 0.000 0.412 22 F N 0.630 120.505 119.950 -0.125 0.000 2.410 22 F HA 0.322 4.848 4.527 -0.001 0.000 0.349 22 F C 0.479 175.888 175.800 -0.652 0.000 1.117 22 F CA -0.054 57.762 58.000 -0.307 0.000 1.104 22 F CB 1.820 40.714 39.000 -0.176 0.000 1.122 22 F HN 0.188 nan 8.300 nan 0.000 0.483 23 S N 6.173 121.395 115.700 -0.798 0.000 2.439 23 S HA 0.242 4.712 4.470 -0.001 0.000 0.282 23 S C -1.630 172.697 174.600 -0.455 0.000 1.170 23 S CA -1.484 55.996 58.200 -1.200 0.000 1.054 23 S CB 0.876 63.383 63.200 -1.156 0.000 0.956 23 S HN 0.343 nan 8.310 nan 0.000 0.490 24 P HA -0.172 nan 4.420 nan 0.000 0.218 24 P C 0.696 177.945 177.300 -0.084 0.000 1.147 24 P CA 1.418 64.456 63.100 -0.102 0.000 0.827 24 P CB 0.164 31.858 31.700 -0.010 0.000 0.778 25 E N -0.617 119.521 120.200 -0.104 0.000 2.011 25 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 25 E C 2.106 178.650 176.600 -0.093 0.000 0.980 25 E CA 0.601 56.960 56.400 -0.069 0.000 0.814 25 E CB -0.641 29.044 29.700 -0.025 0.000 0.775 25 E HN 0.280 nan 8.360 nan 0.000 0.454 26 E N 1.002 121.127 120.200 -0.125 0.000 2.086 26 E HA -0.271 4.079 4.350 -0.001 0.000 0.205 26 E C 2.188 178.752 176.600 -0.061 0.000 1.027 26 E CA 1.967 58.306 56.400 -0.102 0.000 0.830 26 E CB -0.034 29.568 29.700 -0.162 0.000 0.751 26 E HN 0.039 nan 8.360 nan 0.000 0.456 27 V N 0.762 120.653 119.914 -0.038 0.000 2.250 27 V HA -0.337 3.783 4.120 -0.001 0.000 0.250 27 V C 2.609 178.633 176.094 -0.116 0.000 1.060 27 V CA 2.502 64.771 62.300 -0.051 0.000 1.030 27 V CB -0.699 31.081 31.823 -0.071 0.000 0.643 27 V HN 0.301 nan 8.190 nan 0.000 0.445 28 R N -0.215 120.189 120.500 -0.161 0.000 2.120 28 R HA -0.119 4.220 4.340 -0.001 0.000 0.234 28 R C 2.285 178.450 176.300 -0.224 0.000 1.123 28 R CA 1.400 57.323 56.100 -0.296 0.000 0.975 28 R CB -0.427 29.745 30.300 -0.213 0.000 0.866 28 R HN 0.551 nan 8.270 nan 0.000 0.446 29 A N 0.403 123.147 122.820 -0.126 0.000 1.930 29 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 29 A C 2.022 179.567 177.584 -0.064 0.000 1.175 29 A CA 1.117 53.104 52.037 -0.084 0.000 0.627 29 A CB -0.291 18.674 19.000 -0.058 0.000 0.815 29 A HN 0.299 nan 8.150 nan 0.000 0.443 30 I N 0.462 121.000 120.570 -0.053 0.000 2.235 30 I HA -0.102 4.068 4.170 -0.001 0.000 0.241 30 I C 1.633 177.768 176.117 0.030 0.000 1.085 30 I CA 0.726 62.022 61.300 -0.008 0.000 1.378 30 I CB -0.334 37.666 38.000 -0.000 0.000 1.076 30 I HN 0.387 nan 8.210 nan 0.000 0.415 31 S N 1.348 117.069 115.700 0.034 0.000 2.566 31 S HA 0.091 4.561 4.470 -0.001 0.000 0.280 31 S C 0.398 175.054 174.600 0.093 0.000 1.343 31 S CA -0.502 57.772 58.200 0.123 0.000 1.036 31 S CB 1.224 64.546 63.200 0.203 0.000 0.866 31 S HN 0.221 nan 8.310 nan 0.000 0.526 32 V N -1.509 118.480 119.914 0.124 0.000 2.933 32 V HA 0.739 4.858 4.120 -0.001 0.000 0.374 32 V C 0.349 176.509 176.094 0.109 0.000 1.321 32 V CA -0.215 62.137 62.300 0.086 0.000 1.290 32 V CB -1.205 30.648 31.823 0.051 0.000 1.346 32 V HN 1.069 nan 8.190 nan 0.000 0.560 33 A N 0.291 123.217 122.820 0.177 0.000 2.354 33 A HA 0.853 5.173 4.320 -0.001 0.000 0.321 33 A C 0.565 178.252 177.584 0.171 0.000 1.125 33 A CA -0.621 51.509 52.037 0.155 0.000 0.799 33 A CB 2.160 21.242 19.000 0.137 0.000 1.293 33 A HN 0.311 nan 8.150 nan 0.000 0.452 34 K N 0.163 120.591 120.400 0.046 0.000 2.312 34 K HA 0.326 4.646 4.320 -0.001 0.000 0.206 34 K C -0.493 176.012 176.600 -0.158 0.000 1.121 34 K CA 0.297 56.581 56.287 -0.004 0.000 0.923 34 K CB 0.166 32.682 32.500 0.027 0.000 1.162 34 K HN 0.587 nan 8.250 nan 0.000 0.478 35 I N 2.346 122.851 120.570 -0.108 0.000 6.579 35 I HA -0.292 3.878 4.170 -0.001 0.000 0.126 35 I C 0.535 176.560 176.117 -0.154 0.000 1.827 35 I CA 0.566 61.788 61.300 -0.131 0.000 2.040 35 I CB -1.611 36.269 38.000 -0.199 0.000 3.510 35 I HN 0.391 nan 8.210 nan 0.000 0.170 36 R N 0.642 121.051 120.500 -0.151 0.000 2.146 36 R HA 0.240 4.579 4.340 -0.001 0.000 0.206 36 R C 0.451 176.469 176.300 -0.469 0.000 1.049 36 R CA 0.793 56.679 56.100 -0.357 0.000 1.029 36 R CB 0.449 30.435 30.300 -0.524 0.000 0.949 36 R HN 0.226 nan 8.270 nan 0.000 0.471 37 F N 0.864 120.788 119.950 -0.042 0.000 2.422 37 F HA 0.318 4.844 4.527 -0.001 0.000 0.333 37 F C -1.483 174.292 175.800 -0.042 0.000 1.095 37 F CA -2.579 55.399 58.000 -0.036 0.000 1.038 37 F CB 1.524 40.506 39.000 -0.030 0.000 1.156 37 F HN -0.098 nan 8.300 nan 0.000 0.483 38 P HA 0.116 nan 4.420 nan 0.000 0.261 38 P C -0.199 177.130 177.300 0.048 0.000 1.268 38 P CA 0.310 63.443 63.100 0.056 0.000 0.833 38 P CB 0.353 32.075 31.700 0.036 0.000 1.231 39 E N -0.023 120.219 120.200 0.071 0.000 2.585 39 E HA 0.121 4.471 4.350 -0.001 0.000 0.256 39 E C 1.297 177.887 176.600 -0.017 0.000 1.383 39 E CA 0.458 56.871 56.400 0.022 0.000 1.029 39 E CB -0.185 29.518 29.700 0.006 0.000 1.044 39 E HN 0.028 nan 8.360 nan 0.000 0.595 40 T N -0.271 114.257 114.554 -0.044 0.000 3.028 40 T HA 0.048 4.398 4.350 -0.001 0.000 0.181 40 T C 1.084 175.747 174.700 -0.061 0.000 0.687 40 T CA 0.315 62.372 62.100 -0.073 0.000 2.364 40 T CB -0.192 68.618 68.868 -0.096 0.000 2.516 40 T HN 0.519 nan 8.240 nan 0.000 0.365 41 M N 0.448 120.009 119.600 -0.065 0.000 2.405 41 M HA 0.485 4.964 4.480 -0.001 0.000 0.292 41 M C -0.466 175.796 176.300 -0.064 0.000 1.111 41 M CA -0.452 54.811 55.300 -0.062 0.000 0.979 41 M CB -0.084 32.480 32.600 -0.060 0.000 1.426 41 M HN 0.053 nan 8.290 nan 0.000 0.509 42 D N 2.428 122.790 120.400 -0.063 0.000 2.344 42 D HA 0.352 4.992 4.640 -0.001 0.000 0.239 42 D C -1.171 175.083 176.300 -0.078 0.000 1.064 42 D CA 0.015 53.979 54.000 -0.061 0.000 0.829 42 D CB 1.354 42.127 40.800 -0.045 0.000 1.129 42 D HN 0.442 nan 8.370 nan 0.000 0.506 43 E N 0.887 121.033 120.200 -0.089 0.000 2.325 43 E HA 0.326 4.675 4.350 -0.001 0.000 0.248 43 E C -0.715 175.839 176.600 -0.077 0.000 0.912 43 E CA -0.895 55.442 56.400 -0.105 0.000 0.782 43 E CB 1.052 30.651 29.700 -0.169 0.000 1.264 43 E HN 0.196 nan 8.360 nan 0.000 0.417 44 T N 2.787 117.306 114.554 -0.057 0.000 3.501 44 T HA -0.268 4.082 4.350 -0.001 0.000 0.411 44 T C 0.302 174.980 174.700 -0.037 0.000 0.766 44 T CA 1.027 63.102 62.100 -0.041 0.000 2.129 44 T CB -1.689 67.156 68.868 -0.040 0.000 1.711 44 T HN 0.806 nan 8.240 nan 0.000 0.712 45 Q N -1.965 117.815 119.800 -0.033 0.000 2.377 45 Q HA -0.216 4.123 4.340 -0.001 0.000 0.234 45 Q C 0.379 176.359 176.000 -0.034 0.000 0.847 45 Q CA 1.484 57.270 55.803 -0.029 0.000 1.280 45 Q CB -1.665 27.060 28.738 -0.022 0.000 1.717 45 Q HN 0.857 nan 8.270 nan 0.000 0.579 46 T N 1.075 115.603 114.554 -0.042 0.000 2.905 46 T HA -0.024 4.326 4.350 -0.001 0.000 0.299 46 T C 0.952 175.628 174.700 -0.041 0.000 1.024 46 T CA -0.029 62.045 62.100 -0.044 0.000 1.151 46 T CB 0.472 69.307 68.868 -0.055 0.000 0.987 46 T HN 0.133 nan 8.240 nan 0.000 0.535 47 R N 1.761 122.239 120.500 -0.036 0.000 2.788 47 R HA 0.400 4.740 4.340 -0.001 0.000 0.264 47 R C 0.733 177.012 176.300 -0.035 0.000 1.267 47 R CA -0.158 55.922 56.100 -0.034 0.000 1.213 47 R CB -0.907 29.375 30.300 -0.029 0.000 1.256 47 R HN 0.694 nan 8.270 nan 0.000 0.556 48 A N 0.145 122.942 122.820 -0.039 0.000 3.426 48 A HA 0.634 4.953 4.320 -0.001 0.000 0.185 48 A C -0.284 177.275 177.584 -0.043 0.000 1.057 48 A CA -0.144 51.870 52.037 -0.038 0.000 1.261 48 A CB 1.047 20.025 19.000 -0.037 0.000 1.676 48 A HN 0.002 nan 8.150 nan 0.000 0.658 49 K N -1.186 119.188 120.400 -0.044 0.000 2.137 49 K HA 0.718 5.038 4.320 -0.001 0.000 0.251 49 K C -1.175 175.391 176.600 -0.057 0.000 1.048 49 K CA -0.348 55.910 56.287 -0.047 0.000 0.873 49 K CB 0.397 32.874 32.500 -0.038 0.000 1.442 49 K HN 0.611 nan 8.250 nan 0.000 0.467 50 I N -1.253 119.285 120.570 -0.053 0.000 3.108 50 I HA 0.364 4.534 4.170 -0.001 0.000 0.312 50 I C 1.039 177.145 176.117 -0.018 0.000 1.095 50 I CA -1.079 60.181 61.300 -0.067 0.000 1.000 50 I CB 1.989 39.923 38.000 -0.110 0.000 1.229 50 I HN 0.745 nan 8.210 nan 0.000 0.454 51 G N 0.643 109.445 108.800 0.002 0.000 3.181 51 G HA2 0.236 4.195 3.960 -0.001 0.000 0.219 51 G HA3 0.236 4.195 3.960 -0.001 0.000 0.219 51 G C 0.842 175.855 174.900 0.187 0.000 1.182 51 G CA 0.526 45.673 45.100 0.080 0.000 0.791 51 G HN 0.864 nan 8.290 nan 0.000 0.537 52 G N 0.105 109.037 108.800 0.220 0.000 2.664 52 G HA2 0.379 4.339 3.960 -0.001 0.000 0.216 52 G HA3 0.379 4.339 3.960 -0.001 0.000 0.216 52 G C 0.363 175.331 174.900 0.113 0.000 1.243 52 G CA 0.398 45.690 45.100 0.320 0.000 0.859 52 G HN 0.334 nan 8.290 nan 0.000 0.574 53 L N 0.142 121.403 121.223 0.064 0.000 2.293 53 L HA 0.424 4.763 4.340 -0.001 0.000 0.264 53 L C -0.194 176.665 176.870 -0.019 0.000 1.029 53 L CA -1.031 53.810 54.840 0.003 0.000 0.897 53 L CB 0.900 42.950 42.059 -0.015 0.000 1.497 53 L HN 0.591 nan 8.230 nan 0.000 0.495 54 N N 0.254 118.927 118.700 -0.045 0.000 2.090 54 N HA -0.047 4.692 4.740 -0.001 0.000 0.287 54 N C -0.416 175.070 175.510 -0.040 0.000 1.383 54 N CA 1.046 54.064 53.050 -0.052 0.000 0.899 54 N CB -0.120 38.322 38.487 -0.075 0.000 1.251 54 N HN 0.772 nan 8.380 nan 0.000 0.492 55 D N 0.324 120.711 120.400 -0.022 0.000 1.294 55 D HA -0.028 4.612 4.640 -0.001 0.000 0.844 55 D C -2.507 173.797 176.300 0.007 0.000 0.420 55 D CA -0.233 53.758 54.000 -0.015 0.000 1.370 55 D CB -0.754 40.034 40.800 -0.021 0.000 0.992 55 D HN 0.307 nan 8.370 nan 0.000 0.399 56 P HA -0.016 nan 4.420 nan 0.000 0.212 56 P C -0.494 176.826 177.300 0.033 0.000 0.974 56 P CA 1.101 64.215 63.100 0.023 0.000 1.226 56 P CB -0.951 30.769 31.700 0.034 0.000 1.258 57 R N 0.673 121.192 120.500 0.031 0.000 3.627 57 R HA -0.192 4.147 4.340 -0.001 0.000 0.281 57 R C 0.666 177.018 176.300 0.087 0.000 1.140 57 R CA 1.387 57.512 56.100 0.041 0.000 0.761 57 R CB -2.944 27.367 30.300 0.019 0.000 1.181 57 R HN 0.511 nan 8.270 nan 0.000 0.472 58 L N -3.979 117.301 121.223 0.095 0.000 2.966 58 L HA 0.605 4.945 4.340 -0.001 0.000 0.262 58 L C 0.595 177.508 176.870 0.072 0.000 1.165 58 L CA 0.352 55.274 54.840 0.136 0.000 0.978 58 L CB 1.341 43.437 42.059 0.062 0.000 1.337 58 L HN 0.445 nan 8.230 nan 0.000 0.563 59 G N -0.158 108.673 108.800 0.053 0.000 2.353 59 G HA2 0.340 4.300 3.960 -0.001 0.000 0.308 59 G HA3 0.340 4.300 3.960 -0.001 0.000 0.308 59 G C -1.354 173.536 174.900 -0.016 0.000 1.418 59 G CA -0.178 44.915 45.100 -0.011 0.000 0.966 59 G HN 0.436 nan 8.290 nan 0.000 0.638 60 S N -1.478 114.205 115.700 -0.029 0.000 2.634 60 S HA 0.847 5.317 4.470 -0.001 0.000 0.296 60 S C -0.410 174.164 174.600 -0.043 0.000 1.104 60 S CA -0.767 57.415 58.200 -0.030 0.000 0.920 60 S CB 1.970 65.159 63.200 -0.018 0.000 1.111 60 S HN 1.413 nan 8.310 nan 0.000 0.493 61 I N -0.350 120.194 120.570 -0.044 0.000 2.796 61 I HA 0.567 4.736 4.170 -0.001 0.000 0.279 61 I C -0.813 175.277 176.117 -0.044 0.000 1.289 61 I CA -0.229 61.042 61.300 -0.050 0.000 1.021 61 I CB 0.602 38.565 38.000 -0.060 0.000 1.414 61 I HN 0.758 nan 8.210 nan 0.000 0.562 62 D N 2.075 122.452 120.400 -0.037 0.000 2.811 62 D HA 0.116 4.756 4.640 -0.001 0.000 0.370 62 D C 0.238 176.521 176.300 -0.027 0.000 1.412 62 D CA -0.235 53.745 54.000 -0.033 0.000 0.964 62 D CB 0.391 41.173 40.800 -0.031 0.000 1.637 62 D HN 0.291 nan 8.370 nan 0.000 0.377 63 R N 0.064 120.548 120.500 -0.027 0.000 3.405 63 R HA -0.202 4.138 4.340 -0.001 0.000 0.258 63 R C -1.031 175.259 176.300 -0.017 0.000 1.030 63 R CA 0.530 56.618 56.100 -0.021 0.000 0.691 63 R CB -2.188 28.101 30.300 -0.019 0.000 1.093 63 R HN 0.166 nan 8.270 nan 0.000 0.448 64 N N -0.279 118.412 118.700 -0.016 0.000 2.361 64 N HA 0.319 5.058 4.740 -0.001 0.000 0.302 64 N C 0.977 176.484 175.510 -0.006 0.000 1.074 64 N CA -0.655 52.388 53.050 -0.012 0.000 0.850 64 N CB 1.132 39.611 38.487 -0.014 0.000 1.228 64 N HN 0.234 nan 8.380 nan 0.000 0.491 65 L N -0.874 120.347 121.223 -0.003 0.000 2.721 65 L HA 0.165 4.504 4.340 -0.001 0.000 0.241 65 L C 0.183 177.057 176.870 0.007 0.000 1.168 65 L CA 0.928 55.770 54.840 0.003 0.000 0.866 65 L CB -0.271 41.789 42.059 0.002 0.000 0.996 65 L HN 0.089 nan 8.230 nan 0.000 0.451 66 K N 0.798 121.201 120.400 0.004 0.000 3.226 66 K HA 0.129 4.449 4.320 -0.001 0.000 0.268 66 K C -0.107 176.504 176.600 0.019 0.000 1.217 66 K CA -0.039 56.252 56.287 0.007 0.000 1.242 66 K CB -0.152 32.347 32.500 -0.001 0.000 1.389 66 K HN 0.341 nan 8.250 nan 0.000 0.406 67 c N 2.896 121.518 118.600 0.037 0.000 2.447 67 c HA 0.082 4.651 4.570 -0.001 0.000 0.402 67 c C -0.333 173.807 174.090 0.083 0.000 1.356 67 c CA -0.520 55.858 56.329 0.081 0.000 1.712 67 c CB -2.178 40.398 42.510 0.110 0.000 2.540 67 c HN 0.842 nan 8.230 nan 0.000 0.593 68 Q N 0.961 120.782 119.800 0.035 0.000 2.670 68 Q HA -0.203 4.136 4.340 -0.001 0.000 0.186 68 Q C 0.513 176.495 176.000 -0.031 0.000 1.417 68 Q CA 1.384 57.186 55.803 -0.001 0.000 0.634 68 Q CB -2.382 26.353 28.738 -0.006 0.000 0.753 68 Q HN 1.011 nan 8.270 nan 0.000 0.313 69 T N -0.717 113.823 114.554 -0.023 0.000 11.518 69 T HA -0.490 3.859 4.350 -0.001 0.000 0.419 69 T C 1.619 176.301 174.700 -0.030 0.000 1.444 69 T CA 2.903 64.985 62.100 -0.030 0.000 2.411 69 T CB -2.277 66.566 68.868 -0.042 0.000 2.890 69 T HN 1.593 nan 8.240 nan 0.000 0.966 70 C N 2.990 122.263 119.300 -0.044 0.000 2.403 70 C HA -0.056 4.404 4.460 -0.001 0.000 0.279 70 C C 1.896 176.894 174.990 0.013 0.000 1.269 70 C CA 2.076 61.082 59.018 -0.019 0.000 1.774 70 C CB -1.634 26.097 27.740 -0.015 0.000 1.993 70 C HN 0.856 nan 8.230 nan 0.000 0.496 71 Q N -1.674 118.137 119.800 0.017 0.000 1.541 71 Q HA -0.306 4.033 4.340 -0.001 0.000 0.326 71 Q C 0.973 176.990 176.000 0.029 0.000 0.865 71 Q CA 1.635 57.449 55.803 0.017 0.000 0.872 71 Q CB -1.147 27.595 28.738 0.007 0.000 3.307 71 Q HN 0.505 nan 8.270 nan 0.000 0.602 72 E N -1.762 118.450 120.200 0.021 0.000 5.003 72 E HA -0.303 4.047 4.350 -0.001 0.000 0.166 72 E C 0.645 177.254 176.600 0.016 0.000 1.244 72 E CA 2.957 59.370 56.400 0.021 0.000 2.281 72 E CB -1.769 27.950 29.700 0.032 0.000 1.825 72 E HN 1.494 nan 8.360 nan 0.000 0.420 73 G N 1.001 109.812 108.800 0.018 0.000 2.829 73 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.628 73 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.628 73 G C 0.313 175.211 174.900 -0.002 0.000 1.412 73 G CA 0.637 45.740 45.100 0.006 0.000 0.864 73 G HN 0.479 nan 8.290 nan 0.000 0.544 74 M N -0.153 119.439 119.600 -0.015 0.000 2.232 74 M HA 0.580 5.059 4.480 -0.001 0.000 0.321 74 M C 1.038 177.328 176.300 -0.016 0.000 1.101 74 M CA 0.587 55.873 55.300 -0.025 0.000 1.181 74 M CB 0.303 32.883 32.600 -0.034 0.000 1.432 74 M HN 1.684 nan 8.290 nan 0.000 0.457 75 N N -0.045 118.645 118.700 -0.018 0.000 2.816 75 N HA -0.193 4.546 4.740 -0.001 0.000 0.247 75 N C -0.383 175.125 175.510 -0.003 0.000 1.100 75 N CA 1.424 54.469 53.050 -0.009 0.000 0.687 75 N CB -0.554 37.930 38.487 -0.005 0.000 1.003 75 N HN 0.987 nan 8.380 nan 0.000 0.554 76 E N -1.725 118.471 120.200 -0.006 0.000 1.603 76 E HA 0.099 4.449 4.350 -0.001 0.000 0.238 76 E C -0.603 175.997 176.600 0.001 0.000 1.062 76 E CA 0.590 56.991 56.400 0.003 0.000 1.490 76 E CB -0.676 29.030 29.700 0.010 0.000 4.197 76 E HN 0.354 nan 8.360 nan 0.000 0.849 77 c N 5.238 123.832 118.600 -0.011 0.000 2.610 77 c HA 0.346 4.915 4.570 -0.001 0.000 0.382 77 c C -1.044 172.981 174.090 -0.109 0.000 1.287 77 c CA -0.729 55.578 56.329 -0.037 0.000 1.640 77 c CB 0.262 42.747 42.510 -0.042 0.000 2.335 77 c HN 0.365 nan 8.230 nan 0.000 0.577 78 P HA 0.170 nan 4.420 nan 0.000 0.237 78 P C 0.531 177.719 177.300 -0.185 0.000 1.178 78 P CA 1.310 64.354 63.100 -0.093 0.000 0.766 78 P CB -0.137 31.551 31.700 -0.020 0.000 0.876 79 G N 0.741 109.293 108.800 -0.415 0.000 3.055 79 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.686 79 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.686 79 G C -1.093 173.518 174.900 -0.481 0.000 1.087 79 G CA -0.882 43.914 45.100 -0.508 0.000 0.779 79 G HN 0.377 nan 8.290 nan 0.000 0.599 80 H N 1.922 120.978 119.070 -0.023 0.000 2.638 80 H HA 0.476 5.031 4.556 -0.001 0.000 0.317 80 H C 0.504 175.861 175.328 0.048 0.000 1.006 80 H CA -0.980 55.095 56.048 0.045 0.000 1.222 80 H CB 0.773 30.559 29.762 0.040 0.000 1.419 80 H HN 0.397 nan 8.280 nan 0.000 0.489 81 F N 1.453 121.459 119.950 0.094 0.000 2.628 81 F HA 0.163 4.690 4.527 -0.001 0.000 0.346 81 F C 1.561 177.396 175.800 0.059 0.000 1.188 81 F CA 1.273 59.301 58.000 0.046 0.000 1.376 81 F CB 0.684 39.696 39.000 0.020 0.000 1.104 81 F HN 0.600 nan 8.300 nan 0.000 0.616 82 G N 0.363 109.298 108.800 0.225 0.000 2.667 82 G HA2 0.577 4.537 3.960 -0.001 0.000 0.310 82 G HA3 0.577 4.537 3.960 -0.001 0.000 0.310 82 G C -1.908 173.152 174.900 0.266 0.000 1.259 82 G CA -0.642 44.569 45.100 0.184 0.000 1.019 82 G HN 0.889 nan 8.290 nan 0.000 0.496 83 H N -2.398 116.702 119.070 0.050 0.000 2.974 83 H HA 0.711 5.266 4.556 -0.001 0.000 0.366 83 H C -1.753 173.567 175.328 -0.014 0.000 1.155 83 H CA -1.022 55.033 56.048 0.012 0.000 1.186 83 H CB 2.065 31.825 29.762 -0.003 0.000 1.799 83 H HN 0.518 nan 8.280 nan 0.000 0.541 84 I N 2.911 123.376 120.570 -0.174 0.000 2.468 84 I HA 0.212 4.381 4.170 -0.001 0.000 0.285 84 I C -1.044 175.007 176.117 -0.111 0.000 1.039 84 I CA -0.744 60.413 61.300 -0.239 0.000 1.074 84 I CB 1.326 39.221 38.000 -0.177 0.000 1.228 84 I HN 0.738 nan 8.210 nan 0.000 0.436 85 D N 8.011 128.348 120.400 -0.104 0.000 2.348 85 D HA 0.234 4.874 4.640 -0.001 0.000 0.253 85 D C -0.409 175.869 176.300 -0.037 0.000 1.161 85 D CA 0.208 54.201 54.000 -0.012 0.000 0.876 85 D CB 2.024 42.839 40.800 0.025 0.000 1.160 85 D HN 0.421 nan 8.370 nan 0.000 0.459 86 L N 2.395 123.604 121.223 -0.023 0.000 2.264 86 L HA 0.263 4.603 4.340 -0.001 0.000 0.289 86 L C 1.420 178.274 176.870 -0.025 0.000 1.044 86 L CA -0.490 54.330 54.840 -0.032 0.000 0.807 86 L CB 1.457 43.498 42.059 -0.031 0.000 1.192 86 L HN 0.465 nan 8.230 nan 0.000 0.425 87 A N 5.288 128.088 122.820 -0.033 0.000 1.859 87 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 87 A C 0.733 178.299 177.584 -0.030 0.000 1.209 87 A CA 1.482 53.499 52.037 -0.032 0.000 0.639 87 A CB -0.149 18.822 19.000 -0.048 0.000 0.835 87 A HN 0.686 nan 8.150 nan 0.000 0.450 88 K N 0.068 120.447 120.400 -0.035 0.000 2.535 88 K HA 0.422 4.741 4.320 -0.001 0.000 0.253 88 K C -2.979 173.597 176.600 -0.040 0.000 0.953 88 K CA -2.113 54.154 56.287 -0.034 0.000 0.863 88 K CB 1.803 34.282 32.500 -0.034 0.000 1.111 88 K HN 0.084 nan 8.250 nan 0.000 0.431 89 P HA -0.081 nan 4.420 nan 0.000 0.265 89 P C -0.553 176.685 177.300 -0.103 0.000 1.187 89 P CA -0.334 62.732 63.100 -0.056 0.000 0.766 89 P CB 0.573 32.243 31.700 -0.051 0.000 0.820 90 V N -0.192 119.669 119.914 -0.087 0.000 3.126 90 V HA 0.562 4.681 4.120 -0.001 0.000 0.314 90 V C -0.103 175.945 176.094 -0.078 0.000 1.138 90 V CA -1.072 61.164 62.300 -0.108 0.000 1.034 90 V CB 0.962 32.793 31.823 0.013 0.000 1.075 90 V HN 0.164 nan 8.190 nan 0.000 0.442 91 F N 0.395 120.398 119.950 0.089 0.000 2.480 91 F HA 0.382 4.908 4.527 -0.001 0.000 0.319 91 F C 0.701 176.594 175.800 0.156 0.000 1.230 91 F CA 0.435 58.507 58.000 0.119 0.000 1.285 91 F CB 0.069 39.137 39.000 0.114 0.000 1.208 91 F HN 0.797 nan 8.300 nan 0.000 0.579 92 H N 1.009 120.279 119.070 0.332 0.000 2.697 92 H HA 0.344 4.900 4.556 -0.001 0.000 0.270 92 H C 0.786 176.220 175.328 0.177 0.000 1.188 92 H CA -0.729 55.463 56.048 0.241 0.000 1.322 92 H CB 0.448 30.370 29.762 0.267 0.000 1.405 92 H HN 0.494 nan 8.280 nan 0.000 0.502 93 V N 2.401 122.467 119.914 0.254 0.000 2.354 93 V HA -0.424 3.695 4.120 -0.001 0.000 0.250 93 V C 2.256 178.379 176.094 0.049 0.000 1.088 93 V CA 2.315 64.700 62.300 0.141 0.000 1.104 93 V CB -1.437 30.453 31.823 0.112 0.000 0.847 93 V HN 0.812 nan 8.190 nan 0.000 0.468 94 G N -1.882 106.861 108.800 -0.096 0.000 2.776 94 G HA2 0.123 4.083 3.960 -0.001 0.000 0.209 94 G HA3 0.123 4.083 3.960 -0.001 0.000 0.209 94 G C 0.920 175.353 174.900 -0.778 0.000 1.145 94 G CA 0.673 45.460 45.100 -0.521 0.000 0.791 94 G HN 0.639 nan 8.290 nan 0.000 0.530 95 F N -0.924 118.945 119.950 -0.136 0.000 2.831 95 F HA 0.347 4.874 4.527 -0.001 0.000 0.334 95 F C 2.051 177.818 175.800 -0.056 0.000 1.071 95 F CA -0.701 57.225 58.000 -0.123 0.000 1.172 95 F CB 0.336 39.237 39.000 -0.166 0.000 1.054 95 F HN -0.058 nan 8.300 nan 0.000 0.572 96 I N 1.125 121.749 120.570 0.090 0.000 2.091 96 I HA -0.430 3.739 4.170 -0.001 0.000 0.240 96 I C 2.746 178.845 176.117 -0.030 0.000 1.046 96 I CA 2.055 63.334 61.300 -0.035 0.000 1.306 96 I CB -1.308 36.628 38.000 -0.106 0.000 1.018 96 I HN 0.182 nan 8.210 nan 0.000 0.404 97 A N 0.402 123.201 122.820 -0.035 0.000 1.903 97 A HA -0.318 4.002 4.320 -0.001 0.000 0.219 97 A C 2.399 179.965 177.584 -0.029 0.000 1.191 97 A CA 2.634 54.643 52.037 -0.047 0.000 0.638 97 A CB -0.614 18.343 19.000 -0.072 0.000 0.823 97 A HN 0.395 nan 8.150 nan 0.000 0.451 98 K N -0.521 119.885 120.400 0.009 0.000 2.007 98 K HA 0.017 4.336 4.320 -0.001 0.000 0.206 98 K C 1.803 178.480 176.600 0.129 0.000 1.047 98 K CA 1.160 57.472 56.287 0.042 0.000 0.937 98 K CB -0.312 32.230 32.500 0.069 0.000 0.718 98 K HN 0.348 nan 8.250 nan 0.000 0.438 99 I N 1.997 122.650 120.570 0.137 0.000 2.143 99 I HA -0.390 3.779 4.170 -0.001 0.000 0.245 99 I C 2.364 178.631 176.117 0.251 0.000 1.068 99 I CA 1.663 63.066 61.300 0.172 0.000 1.326 99 I CB -0.976 37.134 38.000 0.184 0.000 1.028 99 I HN 0.386 nan 8.210 nan 0.000 0.412 100 K N 1.581 122.074 120.400 0.155 0.000 2.009 100 K HA -0.202 4.118 4.320 -0.001 0.000 0.210 100 K C 1.939 178.662 176.600 0.206 0.000 1.049 100 K CA 1.536 57.916 56.287 0.154 0.000 0.929 100 K CB -0.139 32.406 32.500 0.075 0.000 0.714 100 K HN 0.315 nan 8.250 nan 0.000 0.440 101 K N 0.583 121.048 120.400 0.109 0.000 2.442 101 K HA -0.079 4.241 4.320 -0.001 0.000 0.198 101 K C 1.865 178.657 176.600 0.320 0.000 1.044 101 K CA 0.813 57.100 56.287 -0.001 0.000 0.948 101 K CB 0.140 32.447 32.500 -0.322 0.000 0.762 101 K HN 0.064 nan 8.250 nan 0.000 0.472 102 V N -0.299 119.856 119.914 0.401 0.000 2.825 102 V HA -0.136 3.984 4.120 -0.001 0.000 0.246 102 V C 2.136 178.461 176.094 0.385 0.000 1.068 102 V CA 0.866 63.449 62.300 0.471 0.000 1.088 102 V CB -0.047 32.106 31.823 0.550 0.000 0.733 102 V HN 0.324 nan 8.190 nan 0.000 0.468 103 C N 0.388 119.905 119.300 0.362 0.000 2.448 103 C HA -0.056 4.404 4.460 -0.001 0.000 0.280 103 C C 2.471 177.585 174.990 0.207 0.000 1.398 103 C CA 0.703 59.864 59.018 0.238 0.000 1.774 103 C CB -0.973 26.908 27.740 0.236 0.000 1.888 103 C HN 0.605 nan 8.230 nan 0.000 0.519 104 E N -1.117 119.250 120.200 0.278 0.000 2.435 104 E HA -0.077 4.272 4.350 -0.001 0.000 0.195 104 E C 1.713 178.418 176.600 0.174 0.000 1.029 104 E CA 0.624 57.169 56.400 0.242 0.000 0.865 104 E CB 0.027 29.951 29.700 0.374 0.000 0.833 104 E HN 0.641 nan 8.360 nan 0.000 0.510 105 C N 0.256 119.682 119.300 0.210 0.000 2.780 105 C HA 0.228 4.687 4.460 -0.001 0.000 0.267 105 C C 0.627 175.676 174.990 0.098 0.000 1.266 105 C CA -0.428 58.672 59.018 0.137 0.000 1.709 105 C CB 0.196 28.028 27.740 0.154 0.000 1.975 105 C HN 0.001 nan 8.230 nan 0.000 0.582 106 V N 0.127 120.094 119.914 0.090 0.000 2.604 106 V HA 0.313 4.432 4.120 -0.001 0.000 0.305 106 V C -0.143 175.961 176.094 0.017 0.000 1.043 106 V CA -0.751 61.568 62.300 0.033 0.000 0.888 106 V CB 1.515 33.314 31.823 -0.039 0.000 0.995 106 V HN 0.362 nan 8.190 nan 0.000 0.429 107 C N 7.339 126.647 119.300 0.013 0.000 2.585 107 C HA 0.415 4.874 4.460 -0.001 0.000 0.406 107 C C 0.562 175.563 174.990 0.019 0.000 1.312 107 C CA -0.691 58.344 59.018 0.027 0.000 1.924 107 C CB -0.507 27.247 27.740 0.024 0.000 2.578 107 C HN 0.777 nan 8.230 nan 0.000 0.580 108 M N 6.310 125.951 119.600 0.068 0.000 2.228 108 M HA 0.255 4.735 4.480 -0.001 0.000 0.326 108 M C 1.342 177.741 176.300 0.165 0.000 1.122 108 M CA 0.550 55.885 55.300 0.059 0.000 1.161 108 M CB -0.178 32.480 32.600 0.097 0.000 1.437 108 M HN 0.948 nan 8.290 nan 0.000 0.465 109 H N -1.628 117.416 119.070 -0.045 0.000 4.919 109 H HA -0.243 4.312 4.556 -0.001 0.000 0.068 109 H C 1.564 176.855 175.328 -0.061 0.000 0.578 109 H CA 1.982 57.998 56.048 -0.055 0.000 1.013 109 H CB -1.286 28.432 29.762 -0.073 0.000 0.454 109 H HN 0.717 nan 8.280 nan 0.000 0.774 110 C N 0.942 120.288 119.300 0.077 0.000 3.688 110 C HA 0.290 4.750 4.460 -0.001 0.000 0.294 110 C C 1.771 176.753 174.990 -0.013 0.000 1.278 110 C CA 1.930 60.953 59.018 0.009 0.000 1.778 110 C CB -0.885 26.859 27.740 0.006 0.000 2.148 110 C HN 1.072 nan 8.230 nan 0.000 0.473 111 G N 1.207 109.998 108.800 -0.014 0.000 2.871 111 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.262 111 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.262 111 G C -0.584 174.322 174.900 0.010 0.000 1.126 111 G CA 0.371 45.465 45.100 -0.009 0.000 1.130 111 G HN 0.709 nan 8.290 nan 0.000 0.549 112 K N 0.039 120.446 120.400 0.011 0.000 2.625 112 K HA 0.509 4.829 4.320 -0.001 0.000 0.284 112 K C 0.289 176.908 176.600 0.032 0.000 0.984 112 K CA -1.106 55.196 56.287 0.024 0.000 0.865 112 K CB 1.377 33.884 32.500 0.012 0.000 1.468 112 K HN 0.206 nan 8.250 nan 0.000 0.407 113 L N 3.007 124.255 121.223 0.043 0.000 2.483 113 L HA 0.008 4.348 4.340 -0.001 0.000 0.277 113 L C 1.361 178.249 176.870 0.030 0.000 1.248 113 L CA 0.249 55.115 54.840 0.044 0.000 0.825 113 L CB 0.236 42.321 42.059 0.045 0.000 1.096 113 L HN 0.624 nan 8.230 nan 0.000 0.512 114 L N 1.246 122.485 121.223 0.026 0.000 2.388 114 L HA 0.175 4.514 4.340 -0.001 0.000 0.209 114 L C 0.182 177.062 176.870 0.017 0.000 1.061 114 L CA 0.333 55.184 54.840 0.019 0.000 0.834 114 L CB 0.084 42.151 42.059 0.014 0.000 1.029 114 L HN 0.388 nan 8.230 nan 0.000 0.473 115 L N 1.564 122.794 121.223 0.012 0.000 2.356 115 L HA 0.383 4.722 4.340 -0.001 0.000 0.264 115 L C -1.342 175.525 176.870 -0.004 0.000 1.029 115 L CA -0.424 54.422 54.840 0.010 0.000 0.897 115 L CB 1.041 43.100 42.059 -0.001 0.000 1.256 115 L HN 0.012 nan 8.230 nan 0.000 0.444 116 D N 2.435 122.836 120.400 0.002 0.000 2.248 116 D HA 0.383 5.023 4.640 -0.001 0.000 0.246 116 D C 0.568 176.852 176.300 -0.027 0.000 1.027 116 D CA -0.182 53.764 54.000 -0.091 0.000 0.853 116 D CB 3.075 43.794 40.800 -0.134 0.000 1.243 116 D HN 0.555 nan 8.370 nan 0.000 0.462 117 E N 0.402 120.448 120.200 -0.258 0.000 1.167 117 E HA -0.130 4.220 4.350 -0.001 0.000 0.205 117 E C 0.075 176.470 176.600 -0.342 0.000 0.977 117 E CA -0.218 55.924 56.400 -0.429 0.000 0.902 117 E CB -0.185 29.156 29.700 -0.599 0.000 4.818 117 E HN 0.558 nan 8.360 nan 0.000 0.613 118 H N 1.495 120.568 119.070 0.005 0.000 1.691 118 H HA -0.278 4.277 4.556 -0.001 0.000 0.304 118 H C 0.515 175.844 175.328 0.002 0.000 2.754 118 H CA 1.559 57.608 56.048 0.002 0.000 1.493 118 H CB -1.276 28.486 29.762 -0.000 0.000 1.807 118 H HN 0.483 nan 8.280 nan 0.000 0.706 119 N N 1.742 120.533 118.700 0.151 0.000 2.558 119 N HA -0.243 4.497 4.740 -0.001 0.000 0.302 119 N C -0.779 174.752 175.510 0.035 0.000 1.322 119 N CA 1.013 54.102 53.050 0.065 0.000 0.687 119 N CB -0.253 38.260 38.487 0.043 0.000 0.992 119 N HN 0.572 nan 8.380 nan 0.000 0.524 120 E N 3.633 123.853 120.200 0.032 0.000 1.858 120 E HA 0.246 4.596 4.350 -0.001 0.000 0.278 120 E C 0.867 177.473 176.600 0.011 0.000 1.172 120 E CA 0.307 56.719 56.400 0.021 0.000 1.127 120 E CB -0.239 29.473 29.700 0.020 0.000 1.084 120 E HN 0.623 nan 8.360 nan 0.000 0.455 121 L N 2.096 123.323 121.223 0.008 0.000 2.352 121 L HA -0.013 4.327 4.340 -0.001 0.000 0.295 121 L C 0.777 177.647 176.870 0.000 0.000 1.162 121 L CA 0.137 54.978 54.840 0.003 0.000 1.540 121 L CB -0.345 41.713 42.059 -0.001 0.000 2.595 121 L HN 0.382 nan 8.230 nan 0.000 0.504 122 M N 0.001 119.600 119.600 -0.002 0.000 2.495 122 M HA 0.209 4.689 4.480 -0.001 0.000 0.237 122 M C 1.627 177.921 176.300 -0.011 0.000 1.131 122 M CA 1.222 56.518 55.300 -0.007 0.000 1.032 122 M CB -0.251 32.343 32.600 -0.011 0.000 1.513 122 M HN 0.068 nan 8.290 nan 0.000 0.488 123 R N -1.022 119.473 120.500 -0.008 0.000 2.062 123 R HA 0.009 4.349 4.340 -0.001 0.000 0.226 123 R C 2.009 178.309 176.300 0.000 0.000 1.125 123 R CA 1.446 57.540 56.100 -0.010 0.000 0.966 123 R CB -0.282 30.016 30.300 -0.004 0.000 0.861 123 R HN 0.451 nan 8.270 nan 0.000 0.433 124 Q N 0.337 120.140 119.800 0.006 0.000 2.123 124 Q HA 0.057 4.396 4.340 -0.001 0.000 0.199 124 Q C 0.545 176.554 176.000 0.015 0.000 0.966 124 Q CA 1.015 56.825 55.803 0.011 0.000 0.845 124 Q CB 0.176 28.921 28.738 0.012 0.000 0.907 124 Q HN 0.224 nan 8.270 nan 0.000 0.439 125 A N 0.585 123.414 122.820 0.014 0.000 3.056 125 A HA 0.375 4.695 4.320 -0.001 0.000 0.274 125 A C 0.439 178.036 177.584 0.022 0.000 1.661 125 A CA 0.170 52.219 52.037 0.020 0.000 1.363 125 A CB -0.409 18.601 19.000 0.016 0.000 1.139 125 A HN 0.438 nan 8.150 nan 0.000 0.598 126 L N -0.314 120.925 121.223 0.026 0.000 1.457 126 L HA 0.153 4.492 4.340 -0.001 0.000 0.147 126 L C 1.993 178.881 176.870 0.030 0.000 1.318 126 L CA 0.924 55.781 54.840 0.029 0.000 1.241 126 L CB -0.699 41.368 42.059 0.013 0.000 2.558 126 L HN 0.387 nan 8.230 nan 0.000 0.487 127 A N 0.546 123.379 122.820 0.022 0.000 2.015 127 A HA 0.023 4.343 4.320 -0.001 0.000 0.219 127 A C 1.125 178.725 177.584 0.026 0.000 1.163 127 A CA 0.764 52.814 52.037 0.021 0.000 0.646 127 A CB -0.551 18.459 19.000 0.015 0.000 0.806 127 A HN 0.390 nan 8.150 nan 0.000 0.448 128 I N 1.098 121.685 120.570 0.029 0.000 2.828 128 I HA -0.038 4.132 4.170 -0.001 0.000 0.292 128 I C 0.324 176.462 176.117 0.036 0.000 1.206 128 I CA 0.043 61.362 61.300 0.032 0.000 1.420 128 I CB 0.311 38.332 38.000 0.034 0.000 1.368 128 I HN 0.256 nan 8.210 nan 0.000 0.556 129 K N 6.227 126.645 120.400 0.031 0.000 2.233 129 K HA 0.158 4.477 4.320 -0.001 0.000 0.239 129 K C -0.402 176.217 176.600 0.031 0.000 1.064 129 K CA -0.317 55.988 56.287 0.030 0.000 0.884 129 K CB 0.161 32.676 32.500 0.024 0.000 1.166 129 K HN 0.693 nan 8.250 nan 0.000 0.512 130 D N 0.125 120.540 120.400 0.026 0.000 5.036 130 D HA -0.113 4.527 4.640 -0.001 0.000 0.231 130 D C -1.025 175.291 176.300 0.025 0.000 1.396 130 D CA 0.249 54.262 54.000 0.021 0.000 1.180 130 D CB -0.234 40.578 40.800 0.020 0.000 0.614 130 D HN 0.403 nan 8.370 nan 0.000 0.300 131 S N 2.690 118.396 115.700 0.010 0.000 3.870 131 S HA 0.028 4.497 4.470 -0.001 0.000 0.198 131 S C 1.186 175.770 174.600 -0.027 0.000 1.336 131 S CA 0.489 58.689 58.200 0.000 0.000 1.049 131 S CB 0.631 63.816 63.200 -0.025 0.000 1.412 131 S HN 0.412 nan 8.310 nan 0.000 0.448 132 K N 0.086 120.497 120.400 0.020 0.000 3.152 132 K HA 0.110 4.430 4.320 -0.001 0.000 0.247 132 K C 0.899 177.560 176.600 0.101 0.000 2.313 132 K CA -0.106 56.190 56.287 0.015 0.000 1.484 132 K CB -0.290 32.190 32.500 -0.033 0.000 2.590 132 K HN -0.046 nan 8.250 nan 0.000 0.508 133 K N 2.004 122.450 120.400 0.077 0.000 2.280 133 K HA -0.056 4.263 4.320 -0.001 0.000 0.202 133 K C 1.836 178.506 176.600 0.118 0.000 1.047 133 K CA 1.161 57.505 56.287 0.094 0.000 0.942 133 K CB -0.116 32.422 32.500 0.063 0.000 0.739 133 K HN 0.152 nan 8.250 nan 0.000 0.457 134 R N 0.168 120.739 120.500 0.118 0.000 2.073 134 R HA -0.162 4.178 4.340 -0.001 0.000 0.234 134 R C 2.039 178.437 176.300 0.164 0.000 1.134 134 R CA 1.595 57.767 56.100 0.120 0.000 0.952 134 R CB -0.497 29.869 30.300 0.109 0.000 0.850 134 R HN 0.269 nan 8.270 nan 0.000 0.433 135 F N 1.342 121.328 119.950 0.061 0.000 2.095 135 F HA -0.139 4.387 4.527 -0.001 0.000 0.298 135 F C 2.275 178.158 175.800 0.139 0.000 1.104 135 F CA 1.847 59.902 58.000 0.092 0.000 1.232 135 F CB -0.389 38.636 39.000 0.040 0.000 0.987 135 F HN 0.183 nan 8.300 nan 0.000 0.475 136 A N 0.166 123.188 122.820 0.336 0.000 1.972 136 A HA -0.083 4.237 4.320 -0.001 0.000 0.219 136 A C 2.317 180.004 177.584 0.173 0.000 1.169 136 A CA 1.672 53.868 52.037 0.265 0.000 0.635 136 A CB -1.429 17.698 19.000 0.212 0.000 0.810 136 A HN 0.519 nan 8.150 nan 0.000 0.446 137 A N -0.169 122.719 122.820 0.115 0.000 1.897 137 A HA 0.040 4.359 4.320 -0.001 0.000 0.215 137 A C 2.097 179.698 177.584 0.028 0.000 1.181 137 A CA 1.301 53.378 52.037 0.067 0.000 0.620 137 A CB -0.484 18.550 19.000 0.056 0.000 0.821 137 A HN 0.465 nan 8.150 nan 0.000 0.443 138 I N -2.428 118.142 120.570 -0.000 0.000 2.163 138 I HA -0.254 3.915 4.170 -0.001 0.000 0.240 138 I C 2.439 178.517 176.117 -0.066 0.000 1.081 138 I CA 1.678 62.949 61.300 -0.048 0.000 1.353 138 I CB -0.380 37.573 38.000 -0.079 0.000 1.054 138 I HN 0.696 nan 8.210 nan 0.000 0.407 139 W N 1.802 122.914 121.300 -0.314 0.000 2.358 139 W HA -0.219 4.441 4.660 -0.001 0.000 0.303 139 W C 2.518 178.970 176.519 -0.113 0.000 1.208 139 W CA 2.083 59.267 57.345 -0.268 0.000 1.274 139 W CB -0.527 28.701 29.460 -0.387 0.000 1.138 139 W HN -0.020 nan 8.180 nan 0.000 0.515 140 T N 1.237 115.730 114.554 -0.101 0.000 2.803 140 T HA -0.176 4.173 4.350 -0.001 0.000 0.269 140 T C 1.245 175.763 174.700 -0.305 0.000 1.052 140 T CA 1.590 63.529 62.100 -0.268 0.000 1.136 140 T CB -0.345 68.517 68.868 -0.009 0.000 0.864 140 T HN 0.069 nan 8.240 nan 0.000 0.467 141 L N 0.644 121.746 121.223 -0.201 0.000 3.202 141 L HA 0.355 4.694 4.340 -0.001 0.000 0.278 141 L C 1.104 177.891 176.870 -0.139 0.000 1.268 141 L CA -0.278 54.474 54.840 -0.147 0.000 1.034 141 L CB 0.773 42.786 42.059 -0.077 0.000 1.407 141 L HN 0.439 nan 8.230 nan 0.000 0.581 142 C N -3.913 115.268 119.300 -0.199 0.000 4.095 142 C HA 0.165 4.625 4.460 -0.001 0.000 0.327 142 C C 2.023 176.907 174.990 -0.178 0.000 1.811 142 C CA -0.171 58.761 59.018 -0.143 0.000 1.785 142 C CB -0.545 27.145 27.740 -0.084 0.000 3.120 142 C HN 0.544 nan 8.230 nan 0.000 0.621 143 K N 1.627 121.826 120.400 -0.337 0.000 2.217 143 K HA 0.041 4.360 4.320 -0.001 0.000 0.202 143 K C 1.426 177.909 176.600 -0.194 0.000 1.051 143 K CA 2.169 58.254 56.287 -0.337 0.000 0.952 143 K CB -0.638 31.436 32.500 -0.710 0.000 0.736 143 K HN 0.376 nan 8.250 nan 0.000 0.453 144 T N 0.901 115.344 114.554 -0.185 0.000 3.023 144 T HA 0.010 4.359 4.350 -0.001 0.000 0.266 144 T C 0.319 174.979 174.700 -0.066 0.000 1.093 144 T CA 0.521 62.551 62.100 -0.117 0.000 1.129 144 T CB 0.003 68.803 68.868 -0.113 0.000 0.899 144 T HN 0.175 nan 8.240 nan 0.000 0.491 145 K N 1.746 122.110 120.400 -0.060 0.000 2.349 145 K HA 0.312 4.631 4.320 -0.001 0.000 0.288 145 K C -0.051 176.545 176.600 -0.007 0.000 1.058 145 K CA 0.180 56.450 56.287 -0.029 0.000 0.953 145 K CB 0.719 33.203 32.500 -0.026 0.000 0.997 145 K HN 0.282 nan 8.250 nan 0.000 0.477 146 M N 2.521 122.125 119.600 0.006 0.000 2.685 146 M HA 0.094 4.574 4.480 -0.001 0.000 0.355 146 M C -0.671 175.649 176.300 0.033 0.000 1.197 146 M CA -0.426 54.892 55.300 0.031 0.000 0.947 146 M CB 0.739 33.360 32.600 0.035 0.000 1.346 146 M HN 0.213 nan 8.290 nan 0.000 0.516 147 V N -4.402 115.522 119.914 0.017 0.000 2.888 147 V HA 0.318 4.438 4.120 -0.001 0.000 0.309 147 V C 0.280 176.374 176.094 0.001 0.000 1.114 147 V CA -1.130 61.173 62.300 0.006 0.000 0.940 147 V CB 1.434 33.255 31.823 -0.003 0.000 1.021 147 V HN 0.351 nan 8.190 nan 0.000 0.426 148 C N 1.818 121.113 119.300 -0.010 0.000 2.522 148 C HA 0.240 4.699 4.460 -0.001 0.000 0.271 148 C C 0.973 175.956 174.990 -0.012 0.000 1.425 148 C CA 0.815 59.826 59.018 -0.010 0.000 1.751 148 C CB -2.334 25.392 27.740 -0.024 0.000 1.775 148 C HN 1.087 nan 8.230 nan 0.000 0.557 149 E N -0.361 119.830 120.200 -0.014 0.000 7.387 149 E HA -0.151 4.198 4.350 -0.001 0.000 0.318 149 E C 0.786 177.375 176.600 -0.018 0.000 0.824 149 E CA 0.395 56.787 56.400 -0.013 0.000 1.347 149 E CB -0.716 28.983 29.700 -0.002 0.000 0.927 149 E HN 0.553 nan 8.360 nan 0.000 0.269 150 T N 1.871 116.411 114.554 -0.023 0.000 2.595 150 T HA -0.133 4.216 4.350 -0.001 0.000 0.264 150 T C 0.605 175.292 174.700 -0.021 0.000 1.058 150 T CA 1.497 63.582 62.100 -0.026 0.000 1.166 150 T CB 0.009 68.860 68.868 -0.028 0.000 0.863 150 T HN 0.431 nan 8.240 nan 0.000 0.415 151 D N -0.992 119.396 120.400 -0.020 0.000 2.752 151 D HA 0.553 5.192 4.640 -0.001 0.000 0.313 151 D C -0.927 175.359 176.300 -0.022 0.000 1.225 151 D CA -0.488 53.498 54.000 -0.022 0.000 0.976 151 D CB 2.255 43.037 40.800 -0.030 0.000 1.443 151 D HN 0.202 nan 8.370 nan 0.000 0.515 152 V N -2.148 117.743 119.914 -0.037 0.000 3.046 152 V HA 0.807 4.927 4.120 -0.001 0.000 0.316 152 V C -2.788 173.268 176.094 -0.063 0.000 1.104 152 V CA -1.953 60.322 62.300 -0.043 0.000 1.006 152 V CB 1.587 33.383 31.823 -0.045 0.000 1.058 152 V HN 0.354 nan 8.190 nan 0.000 0.440 153 P HA 0.401 nan 4.420 nan 0.000 0.281 153 P C 0.067 177.323 177.300 -0.073 0.000 1.264 153 P CA -0.236 62.833 63.100 -0.051 0.000 0.824 153 P CB 1.128 32.811 31.700 -0.029 0.000 1.092 162 V N 0.916 120.787 119.914 -0.071 0.000 2.925 162 V HA 0.764 4.884 4.120 -0.001 0.000 0.311 162 V C -0.189 175.858 176.094 -0.078 0.000 1.104 162 V CA -0.241 62.004 62.300 -0.091 0.000 0.954 162 V CB 2.747 34.475 31.823 -0.159 0.000 1.022 162 V HN 0.776 nan 8.190 nan 0.000 0.427 163 S N 3.516 119.179 115.700 -0.063 0.000 2.519 163 S HA 0.877 5.347 4.470 -0.001 0.000 0.309 163 S C -0.543 174.040 174.600 -0.028 0.000 1.100 163 S CA -0.918 57.258 58.200 -0.041 0.000 1.059 163 S CB 1.818 65.000 63.200 -0.031 0.000 1.008 163 S HN 0.865 nan 8.310 nan 0.000 0.478 164 R N 0.516 121.007 120.500 -0.015 0.000 2.885 164 R HA 0.838 5.178 4.340 -0.001 0.000 0.260 164 R C -0.010 176.292 176.300 0.003 0.000 1.107 164 R CA -0.966 55.138 56.100 0.007 0.000 0.978 164 R CB -0.329 29.997 30.300 0.044 0.000 1.227 164 R HN 0.553 nan 8.270 nan 0.000 0.473 165 G N -0.756 108.048 108.800 0.008 0.000 2.372 165 G HA2 0.489 4.449 3.960 -0.001 0.000 0.286 165 G HA3 0.489 4.449 3.960 -0.001 0.000 0.286 165 G C -0.405 174.492 174.900 -0.006 0.000 1.153 165 G CA 0.145 45.243 45.100 -0.004 0.000 0.985 165 G HN 0.778 nan 8.290 nan 0.000 0.429 166 G N -0.273 108.518 108.800 -0.016 0.000 2.646 166 G HA2 0.542 4.502 3.960 -0.001 0.000 0.291 166 G HA3 0.542 4.502 3.960 -0.001 0.000 0.291 166 G C -0.881 173.998 174.900 -0.036 0.000 1.445 166 G CA -0.069 45.019 45.100 -0.021 0.000 0.814 166 G HN 1.441 nan 8.290 nan 0.000 0.495 167 C N 0.020 119.292 119.300 -0.047 0.000 2.356 167 C HA 0.751 5.210 4.460 -0.001 0.000 0.324 167 C C 1.047 175.981 174.990 -0.092 0.000 1.167 167 C CA -0.313 58.659 59.018 -0.076 0.000 1.420 167 C CB 0.658 28.341 27.740 -0.093 0.000 2.036 167 C HN 1.361 nan 8.230 nan 0.000 0.435 168 G N 4.513 113.261 108.800 -0.087 0.000 2.819 168 G HA2 0.128 4.088 3.960 -0.001 0.000 0.272 168 G HA3 0.128 4.088 3.960 -0.001 0.000 0.272 168 G C 0.070 174.900 174.900 -0.117 0.000 0.701 168 G CA 0.088 45.138 45.100 -0.083 0.000 2.095 168 G HN 0.863 nan 8.290 nan 0.000 0.577 169 N N 0.254 118.870 118.700 -0.141 0.000 2.430 169 N HA 0.306 5.045 4.740 -0.001 0.000 0.298 169 N C -0.020 175.421 175.510 -0.115 0.000 1.130 169 N CA -0.273 52.660 53.050 -0.194 0.000 0.894 169 N CB 1.514 39.805 38.487 -0.327 0.000 1.209 169 N HN 0.066 nan 8.380 nan 0.000 0.503 170 T N 1.022 115.500 114.554 -0.125 0.000 2.907 170 T HA 0.105 4.454 4.350 -0.001 0.000 0.298 170 T C 0.387 175.118 174.700 0.051 0.000 1.017 170 T CA -0.167 61.919 62.100 -0.023 0.000 1.118 170 T CB 0.958 69.837 68.868 0.018 0.000 0.948 170 T HN 0.351 nan 8.240 nan 0.000 0.531 171 Q N 3.147 123.031 119.800 0.140 0.000 2.271 171 Q HA 0.364 4.703 4.340 -0.001 0.000 0.258 171 Q C -2.366 173.823 176.000 0.314 0.000 0.936 171 Q CA -2.278 53.654 55.803 0.214 0.000 0.909 171 Q CB 1.171 29.983 28.738 0.124 0.000 1.253 171 Q HN 0.347 nan 8.270 nan 0.000 0.440 172 P HA 0.072 nan 4.420 nan 0.000 0.277 172 P C -0.980 176.368 177.300 0.080 0.000 1.240 172 P CA -0.343 62.874 63.100 0.195 0.000 0.798 172 P CB 0.901 32.622 31.700 0.036 0.000 0.979 173 T N 3.359 117.919 114.554 0.009 0.000 2.855 173 T HA 0.308 4.657 4.350 -0.001 0.000 0.290 173 T C 0.700 175.394 174.700 -0.009 0.000 0.941 173 T CA -0.097 62.008 62.100 0.009 0.000 1.030 173 T CB -0.934 67.932 68.868 -0.002 0.000 0.935 173 T HN 0.199 nan 8.240 nan 0.000 0.564 174 I N 2.976 123.566 120.570 0.033 0.000 2.581 174 I HA 0.503 4.672 4.170 -0.001 0.000 0.288 174 I C 0.854 176.993 176.117 0.036 0.000 1.047 174 I CA -0.539 60.781 61.300 0.034 0.000 1.374 174 I CB 0.760 38.811 38.000 0.085 0.000 1.423 174 I HN 0.410 nan 8.210 nan 0.000 0.549 175 R N 3.187 123.694 120.500 0.011 0.000 3.080 175 R HA 0.521 4.860 4.340 -0.001 0.000 0.248 175 R C -1.201 175.093 176.300 -0.009 0.000 1.324 175 R CA -1.037 55.067 56.100 0.008 0.000 1.036 175 R CB 1.641 31.937 30.300 -0.008 0.000 1.360 175 R HN 0.545 nan 8.270 nan 0.000 0.479 176 K N 1.342 121.732 120.400 -0.017 0.000 2.559 176 K HA 0.143 4.463 4.320 -0.001 0.000 0.249 176 K C -1.758 174.821 176.600 -0.035 0.000 0.958 176 K CA -0.331 55.934 56.287 -0.036 0.000 0.901 176 K CB 1.176 33.654 32.500 -0.035 0.000 1.124 176 K HN 0.497 nan 8.250 nan 0.000 0.437 177 D N 4.093 124.469 120.400 -0.039 0.000 2.472 177 D HA 0.233 4.872 4.640 -0.001 0.000 0.234 177 D C 0.719 177.004 176.300 -0.025 0.000 1.088 177 D CA 0.617 54.600 54.000 -0.027 0.000 0.882 177 D CB 0.984 41.772 40.800 -0.021 0.000 1.037 177 D HN 0.890 nan 8.370 nan 0.000 0.520 178 G N 3.947 112.731 108.800 -0.026 0.000 2.677 178 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.321 178 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.321 178 G C 0.643 175.519 174.900 -0.039 0.000 1.181 178 G CA 0.694 45.779 45.100 -0.024 0.000 0.965 178 G HN 0.563 nan 8.290 nan 0.000 0.548 179 L N 0.691 121.903 121.223 -0.018 0.000 3.202 179 L HA 0.467 4.806 4.340 -0.001 0.000 0.278 179 L C 0.521 177.325 176.870 -0.109 0.000 1.268 179 L CA -0.152 54.658 54.840 -0.051 0.000 1.034 179 L CB 0.424 42.511 42.059 0.047 0.000 1.407 179 L HN 0.235 nan 8.230 nan 0.000 0.581 180 K N 0.813 121.159 120.400 -0.090 0.000 2.400 180 K HA 0.762 5.082 4.320 -0.001 0.000 0.246 180 K C -1.105 175.434 176.600 -0.102 0.000 0.995 180 K CA -0.803 55.452 56.287 -0.053 0.000 0.840 180 K CB 2.958 35.505 32.500 0.079 0.000 1.293 180 K HN -0.056 nan 8.250 nan 0.000 0.445 181 L N 1.702 122.903 121.223 -0.037 0.000 2.341 181 L HA 0.451 4.790 4.340 -0.001 0.000 0.278 181 L C -0.365 176.509 176.870 0.006 0.000 1.005 181 L CA -1.052 53.776 54.840 -0.021 0.000 0.818 181 L CB 1.727 43.789 42.059 0.006 0.000 1.259 181 L HN 0.313 nan 8.230 nan 0.000 0.418 182 V N 0.780 120.679 119.914 -0.026 0.000 3.369 182 V HA 0.861 4.981 4.120 -0.001 0.000 0.309 182 V C 0.509 176.537 176.094 -0.112 0.000 1.069 182 V CA -0.568 61.692 62.300 -0.067 0.000 1.042 182 V CB 1.538 33.319 31.823 -0.070 0.000 1.192 182 V HN 0.874 nan 8.190 nan 0.000 0.447 183 G N -0.206 108.458 108.800 -0.227 0.000 2.766 183 G HA2 0.513 4.472 3.960 -0.001 0.000 0.297 183 G HA3 0.513 4.472 3.960 -0.001 0.000 0.297 183 G C -1.212 173.362 174.900 -0.543 0.000 1.431 183 G CA -0.201 44.665 45.100 -0.391 0.000 1.042 183 G HN 0.785 nan 8.290 nan 0.000 0.542 184 S N 1.996 117.433 115.700 -0.439 0.000 2.718 184 S HA 0.610 5.080 4.470 -0.001 0.000 0.294 184 S C -0.746 173.750 174.600 -0.174 0.000 1.157 184 S CA -0.734 57.286 58.200 -0.299 0.000 1.121 184 S CB 0.234 63.359 63.200 -0.124 0.000 1.015 184 S HN 0.460 nan 8.310 nan 0.000 0.479 185 W N 3.296 124.613 121.300 0.029 0.000 2.448 185 W HA 0.628 5.287 4.660 -0.001 0.000 0.339 185 W C 0.261 176.791 176.519 0.018 0.000 1.124 185 W CA -1.080 56.281 57.345 0.026 0.000 1.262 185 W CB 1.073 30.552 29.460 0.033 0.000 1.251 185 W HN 0.482 nan 8.180 nan 0.000 0.597 200 R N 2.424 122.814 120.500 -0.183 0.000 2.489 200 R HA 0.377 4.716 4.340 -0.001 0.000 0.287 200 R C -0.249 175.980 176.300 -0.117 0.000 1.053 200 R CA -0.353 55.695 56.100 -0.087 0.000 1.036 200 R CB 1.110 31.442 30.300 0.052 0.000 0.966 200 R HN 0.437 nan 8.270 nan 0.000 0.432 201 V N 3.756 123.646 119.914 -0.041 0.000 2.488 201 V HA 0.189 4.308 4.120 -0.001 0.000 0.277 201 V C 0.283 176.408 176.094 0.053 0.000 1.046 201 V CA -0.787 61.508 62.300 -0.008 0.000 0.986 201 V CB 0.832 32.661 31.823 0.010 0.000 0.989 201 V HN 0.568 nan 8.190 nan 0.000 0.475 202 L N 4.985 126.255 121.223 0.078 0.000 2.623 202 L HA 0.175 4.514 4.340 -0.001 0.000 0.281 202 L C 1.144 178.121 176.870 0.178 0.000 1.150 202 L CA 1.142 56.066 54.840 0.140 0.000 0.965 202 L CB 0.127 42.285 42.059 0.164 0.000 1.303 202 L HN 0.966 nan 8.230 nan 0.000 0.467 203 S N 1.613 117.393 115.700 0.133 0.000 2.559 203 S HA -0.042 4.428 4.470 -0.001 0.000 0.282 203 S C 1.559 176.203 174.600 0.073 0.000 1.336 203 S CA 0.052 58.318 58.200 0.109 0.000 1.037 203 S CB 0.667 63.911 63.200 0.074 0.000 0.853 203 S HN 0.772 nan 8.310 nan 0.000 0.523 204 T N 3.210 117.746 114.554 -0.031 0.000 2.833 204 T HA -0.090 4.260 4.350 -0.001 0.000 0.269 204 T C 1.634 176.206 174.700 -0.213 0.000 1.054 204 T CA 1.492 63.383 62.100 -0.349 0.000 1.135 204 T CB -0.270 68.296 68.868 -0.503 0.000 0.869 204 T HN 0.782 nan 8.240 nan 0.000 0.466 205 E N 0.449 120.595 120.200 -0.090 0.000 2.158 205 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 205 E C 2.289 178.885 176.600 -0.006 0.000 0.982 205 E CA 0.365 56.739 56.400 -0.044 0.000 0.823 205 E CB 0.125 29.812 29.700 -0.022 0.000 0.766 205 E HN 0.277 nan 8.360 nan 0.000 0.468 206 E N 0.507 120.715 120.200 0.014 0.000 2.058 206 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 206 E C 2.015 178.638 176.600 0.038 0.000 0.997 206 E CA 1.114 57.532 56.400 0.031 0.000 0.801 206 E CB -0.056 29.677 29.700 0.054 0.000 0.746 206 E HN 0.412 nan 8.360 nan 0.000 0.450 207 I N 1.177 121.789 120.570 0.069 0.000 2.876 207 I HA -0.156 4.013 4.170 -0.001 0.000 0.264 207 I C 2.476 178.706 176.117 0.189 0.000 1.204 207 I CA 0.085 61.461 61.300 0.127 0.000 1.485 207 I CB -0.186 37.967 38.000 0.255 0.000 1.103 207 I HN 0.107 nan 8.210 nan 0.000 0.446 208 L N 2.891 124.186 121.223 0.119 0.000 1.970 208 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 208 L C 2.437 179.374 176.870 0.111 0.000 1.071 208 L CA 2.534 57.447 54.840 0.121 0.000 0.751 208 L CB -1.010 41.074 42.059 0.041 0.000 0.889 208 L HN 0.523 nan 8.230 nan 0.000 0.432 209 N N 0.462 119.196 118.700 0.058 0.000 2.381 209 N HA -0.220 4.519 4.740 -0.001 0.000 0.182 209 N C 1.722 177.273 175.510 0.069 0.000 1.025 209 N CA 1.273 54.346 53.050 0.038 0.000 0.888 209 N CB -0.552 37.961 38.487 0.042 0.000 0.965 209 N HN 0.366 nan 8.380 nan 0.000 0.438 210 I N 0.286 120.876 120.570 0.033 0.000 2.315 210 I HA -0.122 4.047 4.170 -0.001 0.000 0.248 210 I C 1.597 177.637 176.117 -0.127 0.000 1.117 210 I CA 0.801 62.066 61.300 -0.058 0.000 1.404 210 I CB -1.075 36.834 38.000 -0.150 0.000 1.071 210 I HN -0.052 nan 8.210 nan 0.000 0.419 211 F N 0.958 120.918 119.950 0.016 0.000 2.512 211 F HA -0.013 4.513 4.527 -0.001 0.000 0.296 211 F C 2.452 178.234 175.800 -0.031 0.000 1.110 211 F CA 0.768 58.758 58.000 -0.016 0.000 1.446 211 F CB -0.373 38.589 39.000 -0.063 0.000 1.092 211 F HN -0.039 nan 8.300 nan 0.000 0.554 212 K N -0.885 119.576 120.400 0.102 0.000 2.148 212 K HA -0.124 4.195 4.320 -0.001 0.000 0.204 212 K C 1.953 178.478 176.600 -0.126 0.000 1.050 212 K CA 0.974 57.239 56.287 -0.037 0.000 0.942 212 K CB 0.010 32.447 32.500 -0.104 0.000 0.724 212 K HN 0.250 nan 8.250 nan 0.000 0.446 213 H N 0.276 119.353 119.070 0.013 0.000 2.390 213 H HA -0.040 4.515 4.556 -0.001 0.000 0.314 213 H C 1.630 176.940 175.328 -0.029 0.000 1.053 213 H CA 1.522 57.559 56.048 -0.018 0.000 1.353 213 H CB 0.051 29.800 29.762 -0.021 0.000 1.464 213 H HN -0.016 nan 8.280 nan 0.000 0.571 214 I N -0.698 119.949 120.570 0.129 0.000 4.907 214 I HA -0.367 3.802 4.170 -0.001 0.000 0.038 214 I C 0.688 176.810 176.117 0.008 0.000 0.635 214 I CA 1.586 62.934 61.300 0.079 0.000 0.207 214 I CB -1.816 36.292 38.000 0.181 0.000 0.320 214 I HN 0.500 nan 8.210 nan 0.000 0.150 215 S N -1.736 113.911 115.700 -0.088 0.000 2.678 215 S HA 0.439 4.908 4.470 -0.001 0.000 0.290 215 S C 0.197 174.558 174.600 -0.399 0.000 1.047 215 S CA -0.071 58.028 58.200 -0.168 0.000 0.851 215 S CB 1.157 64.321 63.200 -0.060 0.000 1.058 215 S HN 0.395 nan 8.310 nan 0.000 0.451 216 V N 3.492 123.162 119.914 -0.406 0.000 2.287 216 V HA -0.069 4.050 4.120 -0.001 0.000 0.248 216 V C 1.146 177.083 176.094 -0.261 0.000 1.053 216 V CA 1.662 63.651 62.300 -0.518 0.000 1.027 216 V CB -0.530 31.134 31.823 -0.265 0.000 0.646 216 V HN 0.720 nan 8.190 nan 0.000 0.447 217 K N 0.687 121.038 120.400 -0.082 0.000 2.229 217 K HA 0.270 4.589 4.320 -0.001 0.000 0.247 217 K C -0.515 176.145 176.600 0.100 0.000 1.117 217 K CA -0.126 56.188 56.287 0.046 0.000 1.036 217 K CB 0.765 33.280 32.500 0.024 0.000 1.654 217 K HN 0.317 nan 8.250 nan 0.000 0.405 218 D N 0.013 120.554 120.400 0.235 0.000 2.662 218 D HA 0.153 4.792 4.640 -0.001 0.000 0.132 218 D C 0.746 177.228 176.300 0.302 0.000 1.465 218 D CA -0.335 53.809 54.000 0.240 0.000 1.524 218 D CB -0.205 40.730 40.800 0.224 0.000 1.871 218 D HN 0.218 nan 8.370 nan 0.000 0.213 219 F N 0.718 120.736 119.950 0.114 0.000 2.120 219 F HA -0.471 4.055 4.527 -0.001 0.000 0.325 219 F C 2.094 178.004 175.800 0.184 0.000 1.304 219 F CA 3.036 61.094 58.000 0.097 0.000 1.952 219 F CB -1.253 37.757 39.000 0.017 0.000 0.712 219 F HN 0.111 nan 8.300 nan 0.000 0.214 220 T N -0.562 114.231 114.554 0.399 0.000 2.777 220 T HA -0.133 4.216 4.350 -0.001 0.000 0.266 220 T C 1.683 176.496 174.700 0.188 0.000 1.040 220 T CA 1.584 63.829 62.100 0.242 0.000 1.141 220 T CB -0.414 68.562 68.868 0.179 0.000 0.868 220 T HN 0.390 nan 8.240 nan 0.000 0.444 221 S N 1.207 117.021 115.700 0.190 0.000 2.603 221 S HA 0.099 4.568 4.470 -0.001 0.000 0.229 221 S C 0.527 175.235 174.600 0.179 0.000 0.972 221 S CA 0.330 58.619 58.200 0.148 0.000 0.935 221 S CB -0.249 63.022 63.200 0.118 0.000 0.769 221 S HN 0.481 nan 8.310 nan 0.000 0.536 222 L N -3.069 118.305 121.223 0.252 0.000 2.669 222 L HA 0.777 5.117 4.340 -0.001 0.000 0.273 222 L C 0.614 177.675 176.870 0.318 0.000 1.441 222 L CA -0.105 54.940 54.840 0.342 0.000 0.745 222 L CB 0.216 42.548 42.059 0.456 0.000 1.044 222 L HN 0.052 nan 8.230 nan 0.000 0.523 223 G N -0.676 108.206 108.800 0.137 0.000 2.345 223 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 223 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 223 G C 0.130 174.917 174.900 -0.189 0.000 1.058 223 G CA -0.025 45.022 45.100 -0.089 0.000 0.632 223 G HN 0.268 nan 8.290 nan 0.000 0.508 224 F N 1.883 121.767 119.950 -0.110 0.000 2.459 224 F HA 0.541 5.068 4.527 -0.001 0.000 0.346 224 F C 0.814 176.539 175.800 -0.126 0.000 1.128 224 F CA 0.010 57.888 58.000 -0.202 0.000 1.268 224 F CB 0.562 39.283 39.000 -0.465 0.000 1.161 224 F HN 0.252 nan 8.300 nan 0.000 0.583 225 N N 0.833 119.590 118.700 0.096 0.000 2.487 225 N HA 0.084 4.823 4.740 -0.001 0.000 0.292 225 N C 0.878 176.474 175.510 0.144 0.000 1.108 225 N CA -0.347 52.758 53.050 0.092 0.000 0.956 225 N CB 1.011 39.532 38.487 0.057 0.000 1.176 225 N HN 0.704 nan 8.380 nan 0.000 0.484 226 E N 1.420 121.721 120.200 0.169 0.000 2.070 226 E HA -0.194 4.156 4.350 -0.001 0.000 0.197 226 E C 0.910 177.634 176.600 0.206 0.000 1.004 226 E CA 1.964 58.511 56.400 0.244 0.000 0.805 226 E CB 0.138 29.902 29.700 0.108 0.000 0.744 226 E HN 0.575 nan 8.360 nan 0.000 0.451 227 V N -3.177 116.845 119.914 0.180 0.000 3.556 227 V HA 0.199 4.318 4.120 -0.001 0.000 0.287 227 V C 1.586 178.096 176.094 0.694 0.000 1.422 227 V CA -0.017 62.496 62.300 0.355 0.000 1.038 227 V CB -0.339 31.646 31.823 0.269 0.000 0.850 227 V HN 0.177 nan 8.190 nan 0.000 0.437 228 F N 1.933 122.024 119.950 0.236 0.000 2.453 228 F HA 0.299 4.826 4.527 -0.001 0.000 0.284 228 F C 1.222 177.199 175.800 0.295 0.000 1.065 228 F CA 0.543 58.669 58.000 0.209 0.000 1.411 228 F CB 0.719 39.782 39.000 0.105 0.000 1.131 228 F HN 0.329 nan 8.300 nan 0.000 0.582 229 S N 0.588 116.549 115.700 0.434 0.000 2.571 229 S HA 0.476 4.946 4.470 -0.001 0.000 0.238 229 S C -0.969 173.684 174.600 0.088 0.000 1.153 229 S CA -0.820 57.572 58.200 0.321 0.000 1.141 229 S CB 0.969 64.297 63.200 0.213 0.000 1.133 229 S HN 0.101 nan 8.310 nan 0.000 0.464 230 R N 2.701 123.050 120.500 -0.253 0.000 2.407 230 R HA 0.448 4.787 4.340 -0.001 0.000 0.303 230 R C -2.184 173.676 176.300 -0.732 0.000 0.981 230 R CA -2.426 53.215 56.100 -0.764 0.000 0.905 230 R CB 0.893 30.434 30.300 -1.265 0.000 1.099 230 R HN 0.296 nan 8.270 nan 0.000 0.459 231 P HA -0.193 nan 4.420 nan 0.000 0.234 231 P C 0.238 177.103 177.300 -0.725 0.000 1.162 231 P CA 1.138 63.617 63.100 -1.034 0.000 0.759 231 P CB 0.130 31.138 31.700 -1.154 0.000 0.813 232 E N -2.754 117.137 120.200 -0.515 0.000 2.452 232 E HA -0.055 4.294 4.350 -0.001 0.000 0.197 232 E C 0.995 177.544 176.600 -0.086 0.000 1.022 232 E CA 0.043 56.280 56.400 -0.271 0.000 0.890 232 E CB -0.551 29.030 29.700 -0.199 0.000 0.918 232 E HN 0.178 nan 8.360 nan 0.000 0.496 233 W N 0.395 121.585 121.300 -0.183 0.000 2.996 233 W HA 0.367 5.027 4.660 -0.001 0.000 0.270 233 W C 1.533 177.912 176.519 -0.234 0.000 1.280 233 W CA -0.418 56.841 57.345 -0.143 0.000 1.549 233 W CB -0.319 29.082 29.460 -0.098 0.000 1.079 233 W HN 0.122 nan 8.180 nan 0.000 0.629 234 M N 0.691 120.164 119.600 -0.213 0.000 2.706 234 M HA -0.106 4.374 4.480 -0.001 0.000 0.253 234 M C -0.027 176.171 176.300 -0.169 0.000 1.063 234 M CA 1.167 56.181 55.300 -0.478 0.000 1.067 234 M CB -0.507 31.738 32.600 -0.592 0.000 1.423 234 M HN -0.206 nan 8.290 nan 0.000 0.530 235 I N -3.240 117.310 120.570 -0.033 0.000 2.892 235 I HA 0.432 4.601 4.170 -0.001 0.000 0.306 235 I C -0.994 175.175 176.117 0.088 0.000 1.078 235 I CA -1.028 60.306 61.300 0.058 0.000 1.032 235 I CB 1.405 39.383 38.000 -0.037 0.000 1.229 235 I HN -0.207 nan 8.210 nan 0.000 0.435 236 L N 3.405 124.675 121.223 0.079 0.000 2.277 236 L HA 0.483 4.823 4.340 -0.001 0.000 0.284 236 L C 0.450 177.337 176.870 0.028 0.000 1.028 236 L CA -0.122 54.764 54.840 0.076 0.000 0.835 236 L CB 1.234 43.340 42.059 0.079 0.000 1.215 236 L HN 0.925 nan 8.230 nan 0.000 0.425 237 T N -0.049 114.527 114.554 0.037 0.000 3.356 237 T HA -0.055 4.295 4.350 -0.001 0.000 0.220 237 T C 0.536 175.246 174.700 0.017 0.000 0.963 237 T CA 0.029 62.143 62.100 0.023 0.000 1.540 237 T CB 0.091 68.982 68.868 0.039 0.000 1.320 237 T HN 0.536 nan 8.240 nan 0.000 0.448 238 C N 3.445 122.759 119.300 0.023 0.000 2.482 238 C HA 0.700 5.160 4.460 -0.001 0.000 0.378 238 C C -0.109 174.885 174.990 0.005 0.000 1.284 238 C CA -1.159 57.877 59.018 0.030 0.000 1.826 238 C CB -1.695 26.076 27.740 0.052 0.000 2.473 238 C HN 0.516 nan 8.230 nan 0.000 0.562 239 L N 10.125 131.342 121.223 -0.010 0.000 2.296 239 L HA 0.695 5.034 4.340 -0.001 0.000 0.286 239 L C -2.220 174.629 176.870 -0.034 0.000 1.023 239 L CA -1.917 52.898 54.840 -0.040 0.000 0.812 239 L CB 1.262 43.276 42.059 -0.074 0.000 1.223 239 L HN 0.502 nan 8.230 nan 0.000 0.421 240 P HA 0.113 nan 4.420 nan 0.000 0.272 240 P C -1.180 176.207 177.300 0.144 0.000 1.223 240 P CA -0.137 62.980 63.100 0.029 0.000 0.784 240 P CB 1.105 32.686 31.700 -0.198 0.000 0.923 241 V N 3.949 124.002 119.914 0.232 0.000 2.409 241 V HA 0.294 4.413 4.120 -0.001 0.000 0.290 241 V C -2.141 173.888 176.094 -0.107 0.000 1.017 241 V CA -1.995 60.349 62.300 0.073 0.000 0.841 241 V CB 1.700 33.518 31.823 -0.009 0.000 1.003 241 V HN 0.550 nan 8.190 nan 0.000 0.426 242 P HA 0.344 nan 4.420 nan 0.000 0.280 242 P C -2.743 174.292 177.300 -0.441 0.000 1.244 242 P CA -1.720 61.002 63.100 -0.630 0.000 0.784 242 P CB 0.699 32.248 31.700 -0.252 0.000 0.913 243 P HA 0.097 nan 4.420 nan 0.000 0.271 243 P C -1.791 175.382 177.300 -0.212 0.000 1.244 243 P CA -1.174 61.738 63.100 -0.313 0.000 0.793 243 P CB -0.973 30.529 31.700 -0.330 0.000 0.984 244 P HA -0.168 nan 4.420 nan 0.000 0.214 244 P C -1.222 176.009 177.300 -0.114 0.000 1.169 244 P CA 2.802 65.829 63.100 -0.122 0.000 0.908 244 P CB -1.987 29.651 31.700 -0.103 0.000 0.791 245 P HA -0.114 nan 4.420 nan 0.000 0.223 245 P C 0.987 178.237 177.300 -0.085 0.000 1.140 245 P CA 1.089 64.132 63.100 -0.096 0.000 0.783 245 P CB -0.478 31.161 31.700 -0.103 0.000 0.759 246 V N -0.847 119.006 119.914 -0.103 0.000 3.541 246 V HA 0.012 4.131 4.120 -0.001 0.000 0.267 246 V C 1.096 177.156 176.094 -0.057 0.000 1.213 246 V CA 0.769 63.022 62.300 -0.078 0.000 1.149 246 V CB -1.021 30.743 31.823 -0.099 0.000 0.822 246 V HN 0.301 nan 8.190 nan 0.000 0.462 247 R N -1.689 118.774 120.500 -0.062 0.000 2.747 247 R HA 0.292 4.631 4.340 -0.001 0.000 0.200 247 R C -3.143 173.122 176.300 -0.059 0.000 1.438 247 R CA -0.927 55.144 56.100 -0.048 0.000 1.334 247 R CB -0.558 29.718 30.300 -0.040 0.000 1.523 247 R HN 0.145 nan 8.270 nan 0.000 0.741 248 P HA 0.044 nan 4.420 nan 0.000 0.317 248 P C 0.217 177.476 177.300 -0.068 0.000 1.427 248 P CA 0.719 63.782 63.100 -0.062 0.000 0.820 248 P CB 0.382 32.052 31.700 -0.050 0.000 1.894 249 S N -2.424 113.236 115.700 -0.066 0.000 5.086 249 S HA 0.324 4.794 4.470 -0.001 0.000 0.156 249 S C -0.063 174.487 174.600 -0.083 0.000 1.290 249 S CA -0.166 57.986 58.200 -0.079 0.000 1.070 249 S CB -0.808 62.331 63.200 -0.101 0.000 2.069 249 S HN 0.417 nan 8.310 nan 0.000 0.699 250 I N 0.980 121.487 120.570 -0.104 0.000 7.608 250 I HA -0.161 4.009 4.170 -0.001 0.000 0.126 250 I C 0.049 176.030 176.117 -0.227 0.000 1.581 250 I CA 0.313 61.535 61.300 -0.131 0.000 2.350 250 I CB -1.139 36.810 38.000 -0.086 0.000 3.199 250 I HN 0.651 nan 8.210 nan 0.000 0.254 251 S N 1.716 117.236 115.700 -0.301 0.000 2.753 251 S HA 0.874 5.344 4.470 -0.001 0.000 0.302 251 S C 0.334 174.667 174.600 -0.446 0.000 1.104 251 S CA -0.237 57.583 58.200 -0.634 0.000 0.968 251 S CB 1.050 63.906 63.200 -0.574 0.000 1.278 251 S HN 0.592 nan 8.310 nan 0.000 0.549 252 F N 0.353 120.307 119.950 0.006 0.000 2.680 252 F HA 0.367 4.893 4.527 -0.002 0.000 0.290 252 F C 1.467 177.269 175.800 0.003 0.000 1.114 252 F CA 0.124 58.127 58.000 0.005 0.000 1.333 252 F CB -0.541 38.464 39.000 0.008 0.000 1.091 252 F HN 0.616 nan 8.300 nan 0.000 0.606 253 N N -0.406 118.381 118.700 0.145 0.000 2.557 253 N HA 0.141 4.880 4.740 -0.001 0.000 0.217 253 N C 0.021 175.540 175.510 0.015 0.000 1.062 253 N CA 0.509 53.615 53.050 0.095 0.000 0.863 253 N CB 0.289 38.856 38.487 0.133 0.000 1.390 253 N HN -0.033 nan 8.380 nan 0.000 0.445 254 E N -0.301 119.876 120.200 -0.037 0.000 2.434 254 E HA -0.114 4.236 4.350 -0.001 0.000 0.296 254 E C -0.760 175.819 176.600 -0.035 0.000 1.020 254 E CA 0.514 56.879 56.400 -0.057 0.000 0.869 254 E CB -1.732 27.940 29.700 -0.046 0.000 1.351 254 E HN 0.357 nan 8.360 nan 0.000 0.402 255 S N -0.645 115.039 115.700 -0.027 0.000 3.053 255 S HA 0.412 4.882 4.470 -0.001 0.000 0.255 255 S C -0.131 174.460 174.600 -0.014 0.000 0.976 255 S CA 0.289 58.480 58.200 -0.014 0.000 1.159 255 S CB 0.282 63.485 63.200 0.004 0.000 1.110 255 S HN 0.260 nan 8.310 nan 0.000 0.633 256 Q N 0.199 119.974 119.800 -0.041 0.000 2.814 256 Q HA 0.521 4.861 4.340 -0.001 0.000 0.322 256 Q C 0.495 176.431 176.000 -0.106 0.000 0.888 256 Q CA -0.754 55.026 55.803 -0.039 0.000 0.768 256 Q CB 0.754 29.509 28.738 0.028 0.000 1.443 256 Q HN 0.044 nan 8.270 nan 0.000 0.497 257 R N 0.125 120.578 120.500 -0.078 0.000 2.127 257 R HA 0.185 4.525 4.340 -0.001 0.000 0.219 257 R C 0.457 176.649 176.300 -0.181 0.000 1.133 257 R CA 1.365 57.409 56.100 -0.094 0.000 0.890 257 R CB -1.147 29.140 30.300 -0.022 0.000 0.804 257 R HN 1.091 nan 8.270 nan 0.000 0.443 258 G N 1.879 110.570 108.800 -0.182 0.000 2.203 258 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.231 258 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.231 258 G C -0.382 174.470 174.900 -0.079 0.000 1.058 258 G CA -0.087 44.867 45.100 -0.244 0.000 0.781 258 G HN 0.213 nan 8.290 nan 0.000 0.496 259 E N 0.757 120.943 120.200 -0.024 0.000 2.373 259 E HA 0.185 4.534 4.350 -0.001 0.000 0.267 259 E C 0.679 177.280 176.600 0.002 0.000 1.032 259 E CA -0.294 56.038 56.400 -0.114 0.000 0.889 259 E CB 0.978 30.431 29.700 -0.412 0.000 0.984 259 E HN 0.534 nan 8.360 nan 0.000 0.425 260 D N 1.585 121.954 120.400 -0.052 0.000 2.371 260 D HA -0.061 4.578 4.640 -0.001 0.000 0.242 260 D C 0.243 176.616 176.300 0.123 0.000 1.218 260 D CA -0.305 53.714 54.000 0.032 0.000 0.945 260 D CB 0.886 41.680 40.800 -0.010 0.000 1.137 260 D HN 0.215 nan 8.370 nan 0.000 0.464 261 D N 0.934 121.426 120.400 0.154 0.000 2.183 261 D HA -0.108 4.532 4.640 -0.001 0.000 0.203 261 D C 1.654 178.060 176.300 0.176 0.000 0.969 261 D CA 0.498 54.623 54.000 0.209 0.000 0.842 261 D CB 0.165 41.037 40.800 0.120 0.000 0.957 261 D HN 0.268 nan 8.370 nan 0.000 0.484 262 L N 0.664 121.943 121.223 0.094 0.000 2.131 262 L HA -0.033 4.307 4.340 -0.001 0.000 0.206 262 L C 2.035 178.958 176.870 0.090 0.000 1.087 262 L CA 1.370 56.263 54.840 0.088 0.000 0.767 262 L CB -0.626 41.456 42.059 0.038 0.000 0.917 262 L HN -0.115 nan 8.230 nan 0.000 0.441 263 T N -1.211 113.338 114.554 -0.008 0.000 3.007 263 T HA -0.119 4.231 4.350 -0.001 0.000 0.270 263 T C 1.533 176.136 174.700 -0.162 0.000 1.107 263 T CA 1.197 63.229 62.100 -0.114 0.000 1.118 263 T CB -0.516 68.216 68.868 -0.228 0.000 0.889 263 T HN 0.246 nan 8.240 nan 0.000 0.506 264 F N 0.495 120.451 119.950 0.011 0.000 2.710 264 F HA 0.247 4.773 4.527 -0.001 0.000 0.298 264 F C 2.258 178.039 175.800 -0.031 0.000 1.137 264 F CA 0.152 58.146 58.000 -0.009 0.000 1.444 264 F CB 0.194 39.192 39.000 -0.004 0.000 1.111 264 F HN -0.041 nan 8.300 nan 0.000 0.580 265 K N 0.744 121.241 120.400 0.162 0.000 2.108 265 K HA 0.160 4.480 4.320 -0.001 0.000 0.204 265 K C 1.168 177.773 176.600 0.009 0.000 1.036 265 K CA 0.703 57.047 56.287 0.095 0.000 0.965 265 K CB -0.424 32.230 32.500 0.256 0.000 0.804 265 K HN 0.073 nan 8.250 nan 0.000 0.454 266 L N 0.620 121.855 121.223 0.020 0.000 3.301 266 L HA -0.007 4.332 4.340 -0.001 0.000 0.269 266 L C 0.599 177.432 176.870 -0.062 0.000 1.240 266 L CA 0.491 55.285 54.840 -0.077 0.000 1.038 266 L CB -0.349 41.676 42.059 -0.058 0.000 1.406 266 L HN 0.280 nan 8.230 nan 0.000 0.409 267 A N -2.397 120.396 122.820 -0.043 0.000 2.679 267 A HA 0.007 4.326 4.320 -0.001 0.000 0.168 267 A C 1.474 179.049 177.584 -0.016 0.000 1.561 267 A CA -0.208 51.814 52.037 -0.024 0.000 1.139 267 A CB 0.019 19.006 19.000 -0.021 0.000 1.395 267 A HN 0.232 nan 8.150 nan 0.000 0.483 268 D N 0.605 120.968 120.400 -0.062 0.000 2.183 268 D HA -0.033 4.606 4.640 -0.001 0.000 0.205 268 D C 1.848 178.069 176.300 -0.132 0.000 0.962 268 D CA 1.642 55.535 54.000 -0.179 0.000 0.849 268 D CB 0.069 40.622 40.800 -0.411 0.000 0.978 268 D HN 0.601 nan 8.370 nan 0.000 0.488 269 I N -1.151 119.382 120.570 -0.062 0.000 2.353 269 I HA -0.058 4.111 4.170 -0.001 0.000 0.248 269 I C 2.304 178.432 176.117 0.019 0.000 1.119 269 I CA 0.927 62.273 61.300 0.077 0.000 1.417 269 I CB -0.658 37.330 38.000 -0.021 0.000 1.078 269 I HN -0.102 nan 8.210 nan 0.000 0.421 270 L N 0.407 121.615 121.223 -0.025 0.000 2.141 270 L HA -0.098 4.242 4.340 -0.001 0.000 0.209 270 L C 2.561 179.422 176.870 -0.015 0.000 1.094 270 L CA 1.354 56.172 54.840 -0.036 0.000 0.763 270 L CB -0.339 41.693 42.059 -0.045 0.000 0.908 270 L HN 0.283 nan 8.230 nan 0.000 0.437 271 K N -0.602 119.803 120.400 0.009 0.000 2.365 271 K HA -0.060 4.260 4.320 -0.001 0.000 0.199 271 K C 1.631 178.246 176.600 0.026 0.000 1.045 271 K CA 0.885 57.184 56.287 0.021 0.000 0.962 271 K CB 0.178 32.697 32.500 0.033 0.000 0.759 271 K HN 0.381 nan 8.250 nan 0.000 0.469 272 A N 0.258 123.103 122.820 0.042 0.000 2.115 272 A HA -0.021 4.298 4.320 -0.001 0.000 0.211 272 A C 1.618 179.190 177.584 -0.019 0.000 1.169 272 A CA 0.484 52.530 52.037 0.015 0.000 0.787 272 A CB -0.216 18.798 19.000 0.023 0.000 0.858 272 A HN 0.274 nan 8.150 nan 0.000 0.474 273 N N 0.661 119.348 118.700 -0.021 0.000 2.083 273 N HA -0.021 4.718 4.740 -0.001 0.000 0.190 273 N C 1.389 176.872 175.510 -0.045 0.000 1.047 273 N CA 1.686 54.711 53.050 -0.042 0.000 0.845 273 N CB -0.283 38.172 38.487 -0.054 0.000 1.025 273 N HN 0.385 nan 8.380 nan 0.000 0.428 274 I N 0.018 120.561 120.570 -0.046 0.000 2.916 274 I HA -0.133 4.036 4.170 -0.001 0.000 0.267 274 I C 1.836 177.935 176.117 -0.030 0.000 1.263 274 I CA 0.570 61.842 61.300 -0.046 0.000 1.471 274 I CB -0.382 37.583 38.000 -0.057 0.000 1.089 274 I HN 0.231 nan 8.210 nan 0.000 0.468 275 S N 0.529 116.214 115.700 -0.025 0.000 2.561 275 S HA -0.031 4.439 4.470 -0.001 0.000 0.225 275 S C 1.633 176.214 174.600 -0.032 0.000 0.977 275 S CA 0.609 58.796 58.200 -0.021 0.000 0.926 275 S CB 0.136 63.327 63.200 -0.014 0.000 0.769 275 S HN 0.407 nan 8.310 nan 0.000 0.533 276 L N 0.602 121.800 121.223 -0.042 0.000 2.433 276 L HA 0.438 4.778 4.340 -0.001 0.000 0.200 276 L C 2.087 178.914 176.870 -0.072 0.000 1.059 276 L CA 0.869 55.677 54.840 -0.054 0.000 0.835 276 L CB -0.275 41.751 42.059 -0.055 0.000 1.076 276 L HN 0.126 nan 8.230 nan 0.000 0.481 277 E N -0.777 119.382 120.200 -0.069 0.000 2.273 277 E HA -0.192 4.157 4.350 -0.001 0.000 0.198 277 E C 0.855 177.414 176.600 -0.068 0.000 1.002 277 E CA 1.610 57.960 56.400 -0.083 0.000 0.828 277 E CB -0.057 29.623 29.700 -0.033 0.000 0.747 277 E HN 0.487 nan 8.360 nan 0.000 0.491 278 T N 0.163 114.694 114.554 -0.037 0.000 3.188 278 T HA 0.174 4.524 4.350 -0.001 0.000 0.250 278 T C 1.012 175.693 174.700 -0.032 0.000 1.077 278 T CA 0.183 62.274 62.100 -0.014 0.000 0.967 278 T CB 0.259 69.127 68.868 -0.000 0.000 1.006 278 T HN 0.056 nan 8.240 nan 0.000 0.552 279 L N 0.145 121.331 121.223 -0.063 0.000 3.168 279 L HA 0.414 4.754 4.340 -0.001 0.000 0.277 279 L C 1.377 178.182 176.870 -0.108 0.000 1.245 279 L CA 0.141 54.941 54.840 -0.067 0.000 1.035 279 L CB 0.442 42.470 42.059 -0.051 0.000 1.399 279 L HN 0.181 nan 8.230 nan 0.000 0.580 280 E N -0.694 119.401 120.200 -0.175 0.000 2.307 280 E HA 0.068 4.418 4.350 -0.001 0.000 0.192 280 E C 0.257 176.715 176.600 -0.238 0.000 0.967 280 E CA -0.008 56.231 56.400 -0.269 0.000 1.042 280 E CB 0.369 29.800 29.700 -0.447 0.000 1.126 280 E HN 0.483 nan 8.360 nan 0.000 0.484 281 H N 1.052 120.105 119.070 -0.028 0.000 3.332 281 H HA 0.257 4.812 4.556 -0.001 0.000 0.235 281 H C -0.458 174.856 175.328 -0.024 0.000 1.633 281 H CA 0.022 56.054 56.048 -0.025 0.000 1.288 281 H CB -0.662 29.087 29.762 -0.022 0.000 1.547 281 H HN 0.031 nan 8.280 nan 0.000 0.622 282 N N -0.086 118.631 118.700 0.028 0.000 3.997 282 N HA 0.061 4.801 4.740 -0.001 0.000 0.209 282 N C -0.367 175.128 175.510 -0.025 0.000 1.108 282 N CA -0.519 52.536 53.050 0.007 0.000 1.020 282 N CB 0.870 39.361 38.487 0.006 0.000 1.628 282 N HN 0.473 nan 8.380 nan 0.000 0.588 283 G N 1.228 110.014 108.800 -0.023 0.000 2.093 283 G HA2 0.284 4.243 3.960 -0.001 0.000 0.250 283 G HA3 0.284 4.243 3.960 -0.001 0.000 0.250 283 G C 0.205 175.069 174.900 -0.060 0.000 1.056 283 G CA 0.510 45.585 45.100 -0.041 0.000 0.916 283 G HN 0.620 nan 8.290 nan 0.000 0.421 284 A N 5.016 127.778 122.820 -0.097 0.000 2.269 284 A HA 0.638 4.957 4.320 -0.001 0.000 0.302 284 A C -1.359 176.141 177.584 -0.139 0.000 1.266 284 A CA -1.472 50.494 52.037 -0.120 0.000 0.894 284 A CB 0.972 19.880 19.000 -0.154 0.000 1.147 284 A HN 0.518 nan 8.150 nan 0.000 0.537 285 P HA 0.092 nan 4.420 nan 0.000 0.246 285 P C 0.748 178.076 177.300 0.046 0.000 1.686 285 P CA 0.129 63.224 63.100 -0.010 0.000 0.867 285 P CB -0.395 31.314 31.700 0.015 0.000 1.733 286 H N 0.340 119.370 119.070 -0.068 0.000 1.452 286 H HA -0.264 4.291 4.556 -0.001 0.000 0.090 286 H C 0.527 175.750 175.328 -0.176 0.000 0.613 286 H CA 1.870 57.829 56.048 -0.148 0.000 1.901 286 H CB -1.287 28.405 29.762 -0.116 0.000 2.257 286 H HN 0.377 nan 8.280 nan 0.000 0.961 287 H N 0.898 120.066 119.070 0.164 0.000 2.507 287 H HA 0.493 5.049 4.556 -0.001 0.000 0.294 287 H C 1.140 176.499 175.328 0.052 0.000 1.064 287 H CA 0.776 56.873 56.048 0.083 0.000 1.138 287 H CB 0.158 29.959 29.762 0.066 0.000 1.515 287 H HN 0.475 nan 8.280 nan 0.000 0.547 288 A N 0.192 123.098 122.820 0.142 0.000 2.275 288 A HA 0.145 4.464 4.320 -0.001 0.000 0.212 288 A C 1.764 179.383 177.584 0.058 0.000 1.201 288 A CA -0.083 52.004 52.037 0.085 0.000 0.843 288 A CB -0.345 18.691 19.000 0.061 0.000 0.873 288 A HN 0.263 nan 8.150 nan 0.000 0.492 289 I N -0.611 119.999 120.570 0.067 0.000 3.564 289 I HA -0.013 4.157 4.170 -0.001 0.000 0.294 289 I C 1.656 177.803 176.117 0.051 0.000 1.289 289 I CA 0.421 61.745 61.300 0.039 0.000 1.325 289 I CB 0.126 38.138 38.000 0.020 0.000 1.039 289 I HN 0.090 nan 8.210 nan 0.000 0.474 290 E N 0.696 120.942 120.200 0.077 0.000 2.276 290 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 290 E C 1.842 178.460 176.600 0.031 0.000 0.983 290 E CA 0.525 56.963 56.400 0.063 0.000 0.861 290 E CB 0.097 29.840 29.700 0.071 0.000 0.817 290 E HN 0.243 nan 8.360 nan 0.000 0.485 291 E N 0.198 120.412 120.200 0.024 0.000 2.204 291 E HA -0.023 4.327 4.350 -0.001 0.000 0.194 291 E C 1.436 178.024 176.600 -0.020 0.000 0.989 291 E CA 1.037 57.440 56.400 0.005 0.000 0.824 291 E CB -0.065 29.640 29.700 0.007 0.000 0.756 291 E HN 0.219 nan 8.360 nan 0.000 0.477 292 A N 0.095 122.906 122.820 -0.015 0.000 2.251 292 A HA 0.019 4.338 4.320 -0.001 0.000 0.209 292 A C 1.678 179.239 177.584 -0.040 0.000 1.187 292 A CA 0.394 52.409 52.037 -0.037 0.000 0.823 292 A CB 0.086 19.071 19.000 -0.025 0.000 0.846 292 A HN -0.020 nan 8.150 nan 0.000 0.486 293 E N 0.110 120.300 120.200 -0.016 0.000 2.132 293 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 293 E C 2.419 179.016 176.600 -0.005 0.000 0.951 293 E CA 1.277 57.674 56.400 -0.005 0.000 0.843 293 E CB -0.182 29.533 29.700 0.026 0.000 0.807 293 E HN 0.644 nan 8.360 nan 0.000 0.467 294 S N 1.058 116.762 115.700 0.006 0.000 2.368 294 S HA -0.139 4.330 4.470 -0.001 0.000 0.225 294 S C 1.664 176.214 174.600 -0.083 0.000 1.030 294 S CA 0.597 58.812 58.200 0.025 0.000 0.999 294 S CB -0.353 62.883 63.200 0.061 0.000 0.844 294 S HN 0.132 nan 8.310 nan 0.000 0.459 295 L N 1.075 122.194 121.223 -0.173 0.000 2.801 295 L HA 0.466 4.805 4.340 -0.001 0.000 0.250 295 L C 0.744 177.383 176.870 -0.386 0.000 1.222 295 L CA 0.503 55.111 54.840 -0.387 0.000 1.054 295 L CB -0.675 41.207 42.059 -0.294 0.000 1.330 295 L HN 0.492 nan 8.230 nan 0.000 0.426 296 L N -1.754 119.323 121.223 -0.243 0.000 3.888 296 L HA 0.053 4.393 4.340 -0.001 0.000 0.369 296 L C 1.375 178.203 176.870 -0.069 0.000 1.200 296 L CA 0.246 54.986 54.840 -0.166 0.000 1.268 296 L CB 0.498 42.499 42.059 -0.097 0.000 1.573 296 L HN 0.370 nan 8.230 nan 0.000 0.632 297 Q N 1.095 120.880 119.800 -0.026 0.000 2.063 297 Q HA -0.051 4.288 4.340 -0.001 0.000 0.194 297 Q C 0.552 176.642 176.000 0.151 0.000 0.974 297 Q CA 1.243 57.097 55.803 0.086 0.000 0.827 297 Q CB -0.025 28.807 28.738 0.157 0.000 0.902 297 Q HN 0.313 nan 8.270 nan 0.000 0.462 298 F N 2.066 122.023 119.950 0.011 0.000 2.308 298 F HA 0.402 4.928 4.527 -0.001 0.000 0.370 298 F C -0.167 175.540 175.800 -0.156 0.000 1.100 298 F CA -0.805 57.202 58.000 0.012 0.000 1.108 298 F CB 0.679 39.703 39.000 0.039 0.000 1.293 298 F HN 0.192 nan 8.300 nan 0.000 0.478 299 H N 3.281 122.127 119.070 -0.373 0.000 3.446 299 H HA 0.106 4.662 4.556 -0.001 0.000 0.314 299 H C 1.518 176.930 175.328 0.141 0.000 1.099 299 H CA 0.582 56.619 56.048 -0.018 0.000 1.444 299 H CB -0.646 29.092 29.762 -0.041 0.000 1.762 299 H HN 0.399 nan 8.280 nan 0.000 0.986 300 V N 0.328 120.385 119.914 0.237 0.000 0.667 300 V HA -0.474 3.646 4.120 -0.001 0.000 0.092 300 V C 2.412 178.645 176.094 0.232 0.000 1.130 300 V CA 2.661 65.039 62.300 0.130 0.000 3.175 300 V CB -1.955 29.898 31.823 0.049 0.000 0.378 300 V HN 0.880 nan 8.190 nan 0.000 0.359 301 A N -1.527 121.415 122.820 0.203 0.000 1.916 301 A HA -0.441 3.878 4.320 -0.001 0.000 0.224 301 A C 2.130 179.860 177.584 0.243 0.000 1.366 301 A CA 4.284 56.445 52.037 0.207 0.000 0.692 301 A CB -1.289 17.851 19.000 0.233 0.000 0.841 301 A HN 0.864 nan 8.150 nan 0.000 0.480 302 T N -2.613 112.146 114.554 0.343 0.000 3.023 302 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 302 T C 1.546 176.412 174.700 0.277 0.000 1.093 302 T CA 1.181 63.466 62.100 0.308 0.000 1.129 302 T CB -0.333 68.837 68.868 0.503 0.000 0.899 302 T HN 0.635 nan 8.240 nan 0.000 0.491 303 Y N 0.392 120.788 120.300 0.161 0.000 2.333 303 Y HA 0.043 4.593 4.550 -0.001 0.000 0.290 303 Y C 1.860 177.812 175.900 0.086 0.000 1.144 303 Y CA 1.282 59.446 58.100 0.106 0.000 1.228 303 Y CB -0.179 38.332 38.460 0.085 0.000 0.985 303 Y HN 0.179 nan 8.280 nan 0.000 0.542 304 M N -0.348 119.313 119.600 0.101 0.000 2.492 304 M HA 0.075 4.554 4.480 -0.001 0.000 0.255 304 M C -0.571 175.761 176.300 0.053 0.000 1.139 304 M CA 0.488 55.785 55.300 -0.005 0.000 1.096 304 M CB 0.672 33.347 32.600 0.125 0.000 1.360 304 M HN 0.171 nan 8.290 nan 0.000 0.480 305 D N -0.094 120.349 120.400 0.072 0.000 2.878 305 D HA 0.139 4.779 4.640 -0.001 0.000 0.211 305 D C -1.968 174.356 176.300 0.040 0.000 1.271 305 D CA -0.240 53.796 54.000 0.060 0.000 0.845 305 D CB 1.668 42.528 40.800 0.100 0.000 1.679 305 D HN -0.063 nan 8.370 nan 0.000 0.536 306 N N 2.193 120.899 118.700 0.011 0.000 2.319 306 N HA 0.457 5.196 4.740 -0.001 0.000 0.305 306 N C -1.492 174.002 175.510 -0.027 0.000 1.103 306 N CA 0.150 53.197 53.050 -0.006 0.000 0.815 306 N CB 1.575 40.063 38.487 0.001 0.000 1.288 306 N HN 0.589 nan 8.380 nan 0.000 0.493 307 D N 1.609 121.980 120.400 -0.048 0.000 4.013 307 D HA -0.092 4.548 4.640 -0.001 0.000 0.225 307 D C -0.536 175.732 176.300 -0.054 0.000 1.196 307 D CA 0.377 54.345 54.000 -0.052 0.000 0.889 307 D CB -0.893 39.882 40.800 -0.042 0.000 0.572 307 D HN 0.549 nan 8.370 nan 0.000 0.258 308 I N 0.801 121.328 120.570 -0.071 0.000 3.401 308 I HA 0.621 4.790 4.170 -0.001 0.000 0.283 308 I C 1.294 177.374 176.117 -0.062 0.000 0.784 308 I CA 0.091 61.352 61.300 -0.065 0.000 2.690 308 I CB 0.011 37.965 38.000 -0.077 0.000 1.558 308 I HN 0.384 nan 8.210 nan 0.000 0.502 309 A N 0.231 123.007 122.820 -0.074 0.000 2.446 309 A HA 0.618 4.937 4.320 -0.001 0.000 0.218 309 A C 0.235 177.778 177.584 -0.068 0.000 1.200 309 A CA 0.364 52.365 52.037 -0.060 0.000 1.259 309 A CB -0.584 18.389 19.000 -0.046 0.000 1.136 309 A HN 0.516 nan 8.150 nan 0.000 0.450 310 G N -0.326 108.414 108.800 -0.100 0.000 2.887 310 G HA2 0.531 4.490 3.960 -0.001 0.000 0.210 310 G HA3 0.531 4.490 3.960 -0.001 0.000 0.210 310 G C -0.003 174.834 174.900 -0.105 0.000 1.964 310 G CA 0.072 45.107 45.100 -0.110 0.000 0.738 310 G HN 0.359 nan 8.290 nan 0.000 0.790 311 Q N -0.395 119.310 119.800 -0.159 0.000 2.544 311 Q HA 0.475 4.814 4.340 -0.001 0.000 0.291 311 Q C -2.180 173.741 176.000 -0.132 0.000 1.068 311 Q CA -1.443 54.298 55.803 -0.103 0.000 0.785 311 Q CB 2.793 31.509 28.738 -0.036 0.000 1.481 311 Q HN 0.302 nan 8.270 nan 0.000 0.430 312 P HA 0.215 nan 4.420 nan 0.000 0.342 312 P C -0.856 176.460 177.300 0.026 0.000 1.397 312 P CA -0.137 62.945 63.100 -0.029 0.000 0.838 312 P CB 0.506 32.202 31.700 -0.008 0.000 2.030 313 Q N -2.085 117.748 119.800 0.055 0.000 3.274 313 Q HA 0.778 5.117 4.340 -0.001 0.000 0.303 313 Q C -1.163 174.882 176.000 0.075 0.000 1.005 313 Q CA -0.861 55.007 55.803 0.108 0.000 0.831 313 Q CB 1.408 30.210 28.738 0.105 0.000 1.538 313 Q HN 0.567 nan 8.270 nan 0.000 0.481 314 A N -0.618 122.238 122.820 0.060 0.000 2.532 314 A HA 0.609 4.929 4.320 -0.001 0.000 0.290 314 A C -0.322 177.241 177.584 -0.035 0.000 1.143 314 A CA -0.612 51.435 52.037 0.016 0.000 0.728 314 A CB 0.227 19.242 19.000 0.025 0.000 1.317 314 A HN 0.616 nan 8.150 nan 0.000 0.414 315 L N -1.738 119.444 121.223 -0.069 0.000 1.932 315 L HA 0.438 4.777 4.340 -0.001 0.000 0.213 315 L C 0.965 177.680 176.870 -0.260 0.000 1.108 315 L CA 1.382 56.146 54.840 -0.126 0.000 0.778 315 L CB -1.219 40.777 42.059 -0.105 0.000 0.891 315 L HN 0.775 nan 8.230 nan 0.000 0.436 316 Q N -0.186 119.437 119.800 -0.294 0.000 2.419 316 Q HA -0.182 4.157 4.340 -0.001 0.000 0.316 316 Q C 0.338 175.936 176.000 -0.670 0.000 1.434 316 Q CA 0.858 56.359 55.803 -0.503 0.000 0.780 316 Q CB -1.396 26.938 28.738 -0.673 0.000 1.083 316 Q HN 0.566 nan 8.270 nan 0.000 0.357 317 K N -1.614 118.601 120.400 -0.309 0.000 3.407 317 K HA -0.248 4.072 4.320 -0.001 0.000 0.312 317 K C -0.427 176.100 176.600 -0.121 0.000 1.302 317 K CA 1.530 57.718 56.287 -0.164 0.000 0.931 317 K CB -1.559 30.906 32.500 -0.058 0.000 1.257 317 K HN 0.958 nan 8.250 nan 0.000 0.454 318 S N -3.283 112.318 115.700 -0.167 0.000 3.888 318 S HA 0.732 5.202 4.470 -0.001 0.000 0.307 318 S C 0.135 174.688 174.600 -0.079 0.000 1.122 318 S CA -0.595 57.554 58.200 -0.086 0.000 1.197 318 S CB 1.136 64.321 63.200 -0.025 0.000 1.533 318 S HN 0.440 nan 8.310 nan 0.000 0.696 319 G N 1.953 110.723 108.800 -0.050 0.000 2.487 319 G HA2 0.565 4.524 3.960 -0.001 0.000 0.314 319 G HA3 0.565 4.524 3.960 -0.001 0.000 0.314 319 G C -0.261 174.622 174.900 -0.028 0.000 1.267 319 G CA -0.854 44.223 45.100 -0.037 0.000 0.937 319 G HN 0.720 nan 8.290 nan 0.000 0.481 320 R N 2.951 123.435 120.500 -0.027 0.000 2.590 320 R HA 0.319 4.659 4.340 -0.001 0.000 0.274 320 R C -2.405 173.890 176.300 -0.008 0.000 1.061 320 R CA -0.791 55.300 56.100 -0.014 0.000 1.081 320 R CB 0.008 30.302 30.300 -0.011 0.000 0.984 320 R HN 0.272 nan 8.270 nan 0.000 0.448 321 P HA 0.221 nan 4.420 nan 0.000 0.281 321 P C -0.420 176.889 177.300 0.014 0.000 1.281 321 P CA -0.904 62.202 63.100 0.010 0.000 0.811 321 P CB 0.501 32.208 31.700 0.012 0.000 1.154 322 V N -1.091 118.840 119.914 0.029 0.000 2.881 322 V HA 0.183 4.302 4.120 -0.001 0.000 0.303 322 V C 1.639 177.753 176.094 0.033 0.000 1.070 322 V CA -0.417 61.907 62.300 0.040 0.000 1.074 322 V CB 0.317 32.180 31.823 0.067 0.000 1.012 322 V HN 0.704 nan 8.190 nan 0.000 0.482 323 K N 2.860 123.275 120.400 0.025 0.000 1.965 323 K HA -0.054 4.265 4.320 -0.001 0.000 0.214 323 K C 0.614 177.210 176.600 -0.006 0.000 1.046 323 K CA 1.885 58.174 56.287 0.004 0.000 0.944 323 K CB -0.983 31.515 32.500 -0.004 0.000 0.726 323 K HN 2.274 nan 8.250 nan 0.000 0.441 324 S N -0.555 115.131 115.700 -0.024 0.000 2.707 324 S HA -0.043 4.426 4.470 -0.001 0.000 0.857 324 S C 0.704 175.244 174.600 -0.101 0.000 0.803 324 S CA 0.103 58.267 58.200 -0.060 0.000 1.562 324 S CB -1.976 61.214 63.200 -0.016 0.000 1.125 324 S HN 0.345 nan 8.310 nan 0.000 0.230 325 I N 2.239 122.693 120.570 -0.194 0.000 2.290 325 I HA -0.299 3.871 4.170 -0.001 0.000 0.253 325 I C 2.920 178.984 176.117 -0.088 0.000 1.112 325 I CA 2.094 63.297 61.300 -0.162 0.000 1.377 325 I CB -0.735 37.124 38.000 -0.235 0.000 1.060 325 I HN 0.796 nan 8.210 nan 0.000 0.428 326 R N 1.632 122.092 120.500 -0.068 0.000 2.097 326 R HA -0.195 4.144 4.340 -0.001 0.000 0.236 326 R C 2.052 178.305 176.300 -0.078 0.000 1.135 326 R CA 2.175 58.232 56.100 -0.072 0.000 0.934 326 R CB -0.350 29.924 30.300 -0.043 0.000 0.846 326 R HN 0.381 nan 8.270 nan 0.000 0.431 327 A N 0.452 123.236 122.820 -0.061 0.000 2.252 327 A HA 0.020 4.339 4.320 -0.001 0.000 0.207 327 A C 1.832 179.387 177.584 -0.048 0.000 1.194 327 A CA 0.250 52.254 52.037 -0.055 0.000 0.809 327 A CB -0.297 18.677 19.000 -0.043 0.000 0.814 327 A HN 0.299 nan 8.150 nan 0.000 0.482 328 R N -0.910 119.559 120.500 -0.051 0.000 2.297 328 R HA 0.267 4.606 4.340 -0.001 0.000 0.197 328 R C 0.935 177.210 176.300 -0.042 0.000 0.943 328 R CA 0.440 56.515 56.100 -0.042 0.000 1.038 328 R CB 0.041 30.316 30.300 -0.042 0.000 0.957 328 R HN 0.542 nan 8.270 nan 0.000 0.484 329 L N -0.790 120.399 121.223 -0.057 0.000 2.653 329 L HA 0.187 4.526 4.340 -0.001 0.000 0.230 329 L C 0.865 177.692 176.870 -0.071 0.000 1.055 329 L CA -0.168 54.635 54.840 -0.061 0.000 0.880 329 L CB 0.020 42.032 42.059 -0.078 0.000 1.195 329 L HN -0.065 nan 8.230 nan 0.000 0.492 330 K N 1.978 122.328 120.400 -0.083 0.000 2.414 330 K HA 0.172 4.492 4.320 -0.001 0.000 0.272 330 K C 0.075 176.630 176.600 -0.075 0.000 0.993 330 K CA 0.222 56.454 56.287 -0.090 0.000 0.964 330 K CB 1.081 33.525 32.500 -0.094 0.000 0.925 330 K HN 0.049 nan 8.250 nan 0.000 0.487 331 G N 1.410 110.160 108.800 -0.082 0.000 2.547 331 G HA2 0.275 4.235 3.960 -0.001 0.000 0.291 331 G HA3 0.275 4.235 3.960 -0.001 0.000 0.291 331 G C -0.764 174.096 174.900 -0.066 0.000 1.211 331 G CA -0.325 44.734 45.100 -0.069 0.000 0.950 331 G HN 0.655 nan 8.290 nan 0.000 0.504 332 K N -0.299 120.070 120.400 -0.051 0.000 6.281 332 K HA -0.191 4.129 4.320 -0.001 0.000 0.629 332 K C 0.536 177.115 176.600 -0.035 0.000 1.517 332 K CA 1.273 57.534 56.287 -0.043 0.000 1.607 332 K CB -1.604 30.861 32.500 -0.059 0.000 1.837 332 K HN 0.991 nan 8.250 nan 0.000 0.354 333 E N -1.620 118.566 120.200 -0.023 0.000 4.005 333 E HA -0.231 4.119 4.350 -0.001 0.000 0.349 333 E C 0.730 177.319 176.600 -0.020 0.000 0.635 333 E CA 1.318 57.708 56.400 -0.018 0.000 1.238 333 E CB -1.436 28.253 29.700 -0.019 0.000 1.698 333 E HN 0.839 nan 8.360 nan 0.000 0.418 334 G N 0.307 109.091 108.800 -0.028 0.000 2.544 334 G HA2 0.130 4.089 3.960 -0.001 0.000 0.242 334 G HA3 0.130 4.089 3.960 -0.001 0.000 0.242 334 G C 0.440 175.328 174.900 -0.020 0.000 1.247 334 G CA 0.235 45.317 45.100 -0.030 0.000 0.840 334 G HN 0.046 nan 8.290 nan 0.000 0.578 335 R N 0.696 121.185 120.500 -0.018 0.000 2.332 335 R HA -0.106 4.233 4.340 -0.001 0.000 0.239 335 R C 1.830 178.129 176.300 -0.002 0.000 1.160 335 R CA 1.276 57.371 56.100 -0.008 0.000 1.020 335 R CB -0.285 30.012 30.300 -0.006 0.000 0.859 335 R HN 0.690 nan 8.270 nan 0.000 0.478 336 I N -1.756 118.810 120.570 -0.006 0.000 3.098 336 I HA -0.036 4.134 4.170 -0.001 0.000 0.241 336 I C 2.185 178.307 176.117 0.008 0.000 1.081 336 I CA -0.069 61.233 61.300 0.003 0.000 1.487 336 I CB -0.255 37.746 38.000 0.000 0.000 1.366 336 I HN 0.002 nan 8.210 nan 0.000 0.463 337 R N 1.083 121.583 120.500 0.001 0.000 2.080 337 R HA -0.122 4.217 4.340 -0.001 0.000 0.236 337 R C 2.164 178.468 176.300 0.006 0.000 1.137 337 R CA 1.884 57.988 56.100 0.007 0.000 0.943 337 R CB -0.897 29.399 30.300 -0.005 0.000 0.846 337 R HN 0.438 nan 8.270 nan 0.000 0.431 338 G N -0.176 108.623 108.800 -0.002 0.000 2.509 338 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.218 338 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.218 338 G C 1.133 176.035 174.900 0.004 0.000 1.124 338 G CA 0.418 45.518 45.100 -0.001 0.000 0.776 338 G HN 0.286 nan 8.290 nan 0.000 0.547 339 N N -1.359 117.344 118.700 0.005 0.000 2.067 339 N HA 0.227 4.967 4.740 -0.001 0.000 0.227 339 N C 1.289 176.805 175.510 0.011 0.000 1.348 339 N CA -0.024 53.030 53.050 0.007 0.000 0.879 339 N CB 0.998 39.488 38.487 0.005 0.000 1.109 339 N HN 0.239 nan 8.380 nan 0.000 0.501 340 L N -0.264 120.967 121.223 0.013 0.000 2.678 340 L HA 0.297 4.636 4.340 -0.001 0.000 0.211 340 L C 1.465 178.347 176.870 0.019 0.000 1.043 340 L CA 0.168 55.018 54.840 0.017 0.000 0.881 340 L CB 0.122 42.194 42.059 0.021 0.000 1.361 340 L HN -0.058 nan 8.230 nan 0.000 0.484 341 M N -0.109 119.505 119.600 0.022 0.000 2.619 341 M HA 0.225 4.705 4.480 -0.001 0.000 0.251 341 M C 0.595 176.908 176.300 0.020 0.000 1.106 341 M CA 0.462 55.778 55.300 0.026 0.000 1.086 341 M CB -0.466 32.156 32.600 0.037 0.000 1.465 341 M HN 0.206 nan 8.290 nan 0.000 0.506 342 G N 1.132 109.941 108.800 0.016 0.000 2.919 342 G HA2 0.333 4.292 3.960 -0.001 0.000 0.303 342 G HA3 0.333 4.292 3.960 -0.001 0.000 0.303 342 G C -0.699 174.207 174.900 0.010 0.000 1.611 342 G CA -0.644 44.464 45.100 0.013 0.000 0.876 342 G HN 0.117 nan 8.290 nan 0.000 0.481 343 K N 1.432 121.835 120.400 0.006 0.000 2.110 343 K HA 0.444 4.763 4.320 -0.001 0.000 0.263 343 K C 0.365 176.971 176.600 0.010 0.000 0.975 343 K CA -0.798 55.494 56.287 0.008 0.000 0.895 343 K CB 1.926 34.429 32.500 0.006 0.000 1.060 343 K HN 0.312 nan 8.250 nan 0.000 0.448 344 R N 1.422 121.932 120.500 0.017 0.000 2.537 344 R HA 0.101 4.440 4.340 -0.001 0.000 0.280 344 R C 0.128 176.445 176.300 0.028 0.000 1.058 344 R CA -0.175 55.940 56.100 0.026 0.000 1.057 344 R CB 0.316 30.630 30.300 0.024 0.000 0.973 344 R HN 0.417 nan 8.270 nan 0.000 0.438 345 V N -1.186 118.754 119.914 0.043 0.000 3.074 345 V HA 0.492 4.611 4.120 -0.001 0.000 0.314 345 V C -0.342 175.802 176.094 0.082 0.000 1.117 345 V CA -1.190 61.141 62.300 0.051 0.000 1.014 345 V CB 2.268 34.100 31.823 0.015 0.000 1.057 345 V HN 0.479 nan 8.190 nan 0.000 0.438 346 D N -0.058 120.410 120.400 0.114 0.000 2.432 346 D HA 0.584 5.223 4.640 -0.001 0.000 0.258 346 D C -0.262 176.193 176.300 0.258 0.000 1.146 346 D CA -0.268 53.795 54.000 0.105 0.000 1.015 346 D CB 0.450 41.314 40.800 0.106 0.000 1.107 346 D HN 0.662 nan 8.370 nan 0.000 0.529 347 F N -0.389 119.605 119.950 0.073 0.000 2.667 347 F HA -0.233 4.293 4.527 -0.001 0.000 0.250 347 F C 0.484 176.376 175.800 0.152 0.000 1.029 347 F CA 0.264 58.321 58.000 0.095 0.000 0.944 347 F CB -1.608 37.444 39.000 0.086 0.000 0.994 347 F HN 0.195 nan 8.300 nan 0.000 0.842 348 S N -0.268 115.572 115.700 0.234 0.000 2.671 348 S HA 1.016 5.485 4.470 -0.001 0.000 0.277 348 S C -0.615 174.072 174.600 0.145 0.000 1.165 348 S CA -0.356 57.972 58.200 0.214 0.000 0.822 348 S CB 2.565 65.944 63.200 0.298 0.000 1.150 348 S HN 1.544 nan 8.310 nan 0.000 0.479 349 A N 0.418 123.313 122.820 0.125 0.000 2.601 349 A HA 0.905 5.225 4.320 -0.001 0.000 0.291 349 A C -1.224 176.482 177.584 0.202 0.000 1.075 349 A CA -0.805 51.344 52.037 0.187 0.000 0.671 349 A CB 1.595 20.776 19.000 0.302 0.000 1.277 349 A HN 1.144 nan 8.150 nan 0.000 0.417 350 R N 1.035 121.700 120.500 0.275 0.000 2.542 350 R HA 0.594 4.933 4.340 -0.001 0.000 0.284 350 R C -1.466 175.029 176.300 0.325 0.000 1.167 350 R CA 0.094 56.368 56.100 0.290 0.000 1.000 350 R CB 1.486 31.851 30.300 0.107 0.000 1.229 350 R HN 0.903 nan 8.270 nan 0.000 0.416 351 T N 1.094 115.965 114.554 0.528 0.000 2.604 351 T HA 0.418 4.768 4.350 -0.001 0.000 0.267 351 T C -0.331 174.519 174.700 0.250 0.000 0.923 351 T CA -0.572 61.663 62.100 0.226 0.000 1.077 351 T CB 1.080 69.904 68.868 -0.074 0.000 1.392 351 T HN 0.280 nan 8.240 nan 0.000 0.531 352 V N 2.131 122.130 119.914 0.142 0.000 2.607 352 V HA 0.467 4.587 4.120 -0.001 0.000 0.289 352 V C 0.239 176.444 176.094 0.186 0.000 1.053 352 V CA -0.781 61.603 62.300 0.141 0.000 0.996 352 V CB 0.206 32.078 31.823 0.082 0.000 0.995 352 V HN 0.730 nan 8.190 nan 0.000 0.476 353 I N 1.223 121.922 120.570 0.216 0.000 2.566 353 I HA 0.827 4.996 4.170 -0.001 0.000 0.303 353 I C 0.073 176.236 176.117 0.078 0.000 0.983 353 I CA -0.010 61.432 61.300 0.237 0.000 1.235 353 I CB 1.752 39.961 38.000 0.348 0.000 1.386 353 I HN 0.526 nan 8.210 nan 0.000 0.494 354 S N 1.803 117.331 115.700 -0.287 0.000 2.632 354 S HA 0.722 5.191 4.470 -0.001 0.000 0.289 354 S C -0.113 173.604 174.600 -1.471 0.000 1.115 354 S CA -0.694 57.039 58.200 -0.778 0.000 0.889 354 S CB 1.800 64.786 63.200 -0.357 0.000 1.116 354 S HN 1.034 nan 8.310 nan 0.000 0.486 355 G N 0.390 108.232 108.800 -1.597 0.000 2.390 355 G HA2 0.456 4.415 3.960 -0.001 0.000 0.270 355 G HA3 0.456 4.415 3.960 -0.001 0.000 0.270 355 G C -1.102 173.601 174.900 -0.328 0.000 1.211 355 G CA -0.085 44.541 45.100 -0.790 0.000 0.842 355 G HN 0.574 nan 8.290 nan 0.000 0.519 356 D N 2.939 123.246 120.400 -0.155 0.000 2.375 356 D HA 0.232 4.871 4.640 -0.001 0.000 0.259 356 D C -1.777 174.524 176.300 0.002 0.000 1.235 356 D CA -1.461 52.496 54.000 -0.071 0.000 0.924 356 D CB 2.467 43.228 40.800 -0.065 0.000 1.143 356 D HN 0.157 nan 8.370 nan 0.000 0.529 357 P HA -0.000 nan 4.420 nan 0.000 0.239 357 P C 0.518 177.862 177.300 0.074 0.000 1.184 357 P CA 0.345 63.478 63.100 0.055 0.000 0.760 357 P CB 0.576 32.301 31.700 0.042 0.000 0.884 358 N N -0.936 117.807 118.700 0.071 0.000 2.205 358 N HA 0.174 4.914 4.740 -0.001 0.000 0.201 358 N C 0.607 176.166 175.510 0.081 0.000 1.128 358 N CA 0.027 53.142 53.050 0.108 0.000 0.867 358 N CB 0.230 38.793 38.487 0.126 0.000 0.996 358 N HN 0.197 nan 8.380 nan 0.000 0.503 359 L N 1.438 122.693 121.223 0.053 0.000 2.421 359 L HA 0.256 4.596 4.340 -0.001 0.000 0.263 359 L C 0.543 177.450 176.870 0.061 0.000 1.122 359 L CA -0.724 54.141 54.840 0.042 0.000 0.804 359 L CB 0.745 42.813 42.059 0.015 0.000 1.150 359 L HN 0.091 nan 8.230 nan 0.000 0.457 360 E N 1.736 121.970 120.200 0.057 0.000 2.214 360 E HA 0.136 4.485 4.350 -0.001 0.000 0.274 360 E C 0.507 177.146 176.600 0.065 0.000 0.977 360 E CA -0.818 55.623 56.400 0.069 0.000 0.827 360 E CB 1.584 31.321 29.700 0.062 0.000 1.130 360 E HN 0.359 nan 8.360 nan 0.000 0.394 361 L N 1.793 123.050 121.223 0.058 0.000 1.997 361 L HA -0.272 4.067 4.340 -0.001 0.000 0.227 361 L C 1.042 177.961 176.870 0.083 0.000 1.087 361 L CA 2.825 57.675 54.840 0.018 0.000 0.797 361 L CB -0.791 41.232 42.059 -0.059 0.000 0.902 361 L HN 0.783 nan 8.230 nan 0.000 0.441 362 D N -0.859 119.576 120.400 0.058 0.000 2.870 362 D HA 0.053 4.693 4.640 -0.001 0.000 0.241 362 D C 0.226 176.634 176.300 0.180 0.000 1.234 362 D CA 0.001 54.029 54.000 0.046 0.000 0.844 362 D CB -0.239 40.534 40.800 -0.045 0.000 1.051 362 D HN 0.491 nan 8.370 nan 0.000 0.469 363 Q N -0.823 119.128 119.800 0.251 0.000 2.528 363 Q HA 0.666 5.006 4.340 -0.001 0.000 0.289 363 Q C -1.490 174.491 176.000 -0.031 0.000 1.091 363 Q CA -1.325 54.551 55.803 0.122 0.000 0.797 363 Q CB 3.233 31.996 28.738 0.041 0.000 1.466 363 Q HN 0.077 nan 8.270 nan 0.000 0.436 364 V N -0.293 119.525 119.914 -0.160 0.000 2.817 364 V HA 0.614 4.733 4.120 -0.001 0.000 0.303 364 V C -1.075 174.911 176.094 -0.180 0.000 1.151 364 V CA -0.301 61.777 62.300 -0.370 0.000 0.929 364 V CB 1.949 33.266 31.823 -0.842 0.000 1.030 364 V HN 0.822 nan 8.190 nan 0.000 0.427 365 G N 5.354 114.083 108.800 -0.118 0.000 2.457 365 G HA2 0.514 4.474 3.960 -0.001 0.000 0.316 365 G HA3 0.514 4.474 3.960 -0.001 0.000 0.316 365 G C -0.701 174.220 174.900 0.035 0.000 1.030 365 G CA -0.211 44.866 45.100 -0.040 0.000 1.073 365 G HN 0.805 nan 8.290 nan 0.000 0.430 366 V N 6.463 126.392 119.914 0.026 0.000 2.311 366 V HA 0.284 4.404 4.120 -0.001 0.000 0.275 366 V C -1.686 174.346 176.094 -0.104 0.000 1.022 366 V CA -1.665 60.662 62.300 0.046 0.000 0.830 366 V CB 1.718 33.631 31.823 0.149 0.000 1.012 366 V HN 0.619 nan 8.190 nan 0.000 0.452 367 P HA 0.123 nan 4.420 nan 0.000 0.268 367 P C 0.504 177.694 177.300 -0.185 0.000 1.208 367 P CA -0.124 62.852 63.100 -0.207 0.000 0.777 367 P CB 1.298 32.845 31.700 -0.255 0.000 0.875 368 K N 1.470 121.748 120.400 -0.202 0.000 1.977 368 K HA -0.178 4.142 4.320 -0.001 0.000 0.218 368 K C 2.222 178.742 176.600 -0.134 0.000 1.051 368 K CA 2.506 58.657 56.287 -0.226 0.000 0.953 368 K CB -0.985 31.368 32.500 -0.244 0.000 0.727 368 K HN 0.590 nan 8.250 nan 0.000 0.445 369 S N 0.786 116.420 115.700 -0.110 0.000 2.461 369 S HA -0.202 4.267 4.470 -0.001 0.000 0.249 369 S C 1.745 176.328 174.600 -0.028 0.000 1.012 369 S CA 1.211 59.374 58.200 -0.062 0.000 0.982 369 S CB -0.640 62.521 63.200 -0.066 0.000 0.764 369 S HN 0.247 nan 8.310 nan 0.000 0.506 370 I N 1.027 121.571 120.570 -0.043 0.000 2.522 370 I HA 0.164 4.333 4.170 -0.001 0.000 0.240 370 I C 2.606 178.771 176.117 0.080 0.000 1.078 370 I CA 0.750 62.057 61.300 0.011 0.000 1.422 370 I CB -0.812 37.176 38.000 -0.021 0.000 1.188 370 I HN 0.387 nan 8.210 nan 0.000 0.442 371 A N 0.584 123.444 122.820 0.067 0.000 2.247 371 A HA -0.060 4.259 4.320 -0.001 0.000 0.205 371 A C 1.811 179.500 177.584 0.176 0.000 1.261 371 A CA 0.857 52.981 52.037 0.144 0.000 0.853 371 A CB -0.582 18.489 19.000 0.118 0.000 0.793 371 A HN 0.327 nan 8.150 nan 0.000 0.487 372 K N -1.239 119.230 120.400 0.115 0.000 2.360 372 K HA 0.011 4.331 4.320 -0.001 0.000 0.196 372 K C 1.276 178.091 176.600 0.358 0.000 1.049 372 K CA 1.182 57.525 56.287 0.094 0.000 1.049 372 K CB 0.504 32.988 32.500 -0.027 0.000 0.881 372 K HN 0.627 nan 8.250 nan 0.000 0.542 373 T N -1.980 112.715 114.554 0.235 0.000 2.975 373 T HA 0.297 4.646 4.350 -0.001 0.000 0.257 373 T C 0.628 175.415 174.700 0.145 0.000 1.003 373 T CA -0.332 61.869 62.100 0.169 0.000 0.932 373 T CB 0.161 69.080 68.868 0.086 0.000 1.087 373 T HN -0.143 nan 8.240 nan 0.000 0.512 374 L N 3.047 124.392 121.223 0.202 0.000 2.334 374 L HA 0.628 4.968 4.340 -0.001 0.000 0.277 374 L C 0.014 177.047 176.870 0.270 0.000 1.075 374 L CA -0.576 54.408 54.840 0.241 0.000 0.804 374 L CB 1.460 43.676 42.059 0.261 0.000 1.174 374 L HN 0.219 nan 8.230 nan 0.000 0.438 375 T N -1.102 113.647 114.554 0.326 0.000 2.900 375 T HA 0.426 4.776 4.350 -0.001 0.000 0.295 375 T C -1.182 173.645 174.700 0.212 0.000 1.044 375 T CA -0.682 61.555 62.100 0.229 0.000 0.995 375 T CB 1.675 70.632 68.868 0.149 0.000 1.072 375 T HN 0.360 nan 8.240 nan 0.000 0.473 376 Y N 2.587 122.907 120.300 0.032 0.000 2.345 376 Y HA 0.470 5.019 4.550 -0.001 0.000 0.331 376 Y C -2.792 173.084 175.900 -0.040 0.000 0.959 376 Y CA -2.781 55.295 58.100 -0.040 0.000 1.204 376 Y CB 1.743 40.195 38.460 -0.013 0.000 1.135 376 Y HN 0.441 nan 8.280 nan 0.000 0.477 377 P HA -0.068 nan 4.420 nan 0.000 0.245 377 P C -0.782 176.086 177.300 -0.720 0.000 1.347 377 P CA 0.745 63.462 63.100 -0.638 0.000 1.314 377 P CB -0.057 31.321 31.700 -0.538 0.000 1.679 378 E N 2.092 122.122 120.200 -0.284 0.000 2.197 378 E HA 0.260 4.610 4.350 -0.001 0.000 0.281 378 E C -0.239 176.379 176.600 0.030 0.000 0.995 378 E CA -0.868 55.541 56.400 0.015 0.000 0.808 378 E CB 0.995 30.834 29.700 0.232 0.000 1.093 378 E HN 0.022 nan 8.360 nan 0.000 0.394 379 V N 2.986 122.935 119.914 0.058 0.000 3.133 379 V HA 0.127 4.246 4.120 -0.001 0.000 0.305 379 V C 0.162 176.293 176.094 0.061 0.000 1.084 379 V CA -0.757 61.578 62.300 0.059 0.000 1.089 379 V CB 1.363 33.221 31.823 0.059 0.000 1.073 379 V HN 0.442 nan 8.190 nan 0.000 0.477 380 V N 2.319 122.260 119.914 0.045 0.000 2.368 380 V HA 0.366 4.485 4.120 -0.001 0.000 0.266 380 V C 0.300 176.416 176.094 0.038 0.000 1.045 380 V CA -0.010 62.286 62.300 -0.006 0.000 0.899 380 V CB 0.560 32.311 31.823 -0.119 0.000 1.006 380 V HN 1.073 nan 8.190 nan 0.000 0.470 381 T N 7.355 121.930 114.554 0.034 0.000 2.912 381 T HA 0.394 4.743 4.350 -0.001 0.000 0.288 381 T C -1.793 172.933 174.700 0.042 0.000 1.030 381 T CA -1.535 60.547 62.100 -0.030 0.000 1.020 381 T CB 2.133 70.915 68.868 -0.144 0.000 1.056 381 T HN 0.375 nan 8.240 nan 0.000 0.480 382 P HA -0.096 nan 4.420 nan 0.000 0.225 382 P C 0.681 178.031 177.300 0.083 0.000 1.148 382 P CA 1.193 64.362 63.100 0.115 0.000 0.779 382 P CB -0.032 31.575 31.700 -0.156 0.000 0.780 383 Y N 2.005 122.356 120.300 0.084 0.000 2.114 383 Y HA -0.154 4.395 4.550 -0.001 0.000 0.284 383 Y C 2.341 178.269 175.900 0.046 0.000 1.119 383 Y CA 1.035 59.165 58.100 0.050 0.000 1.108 383 Y CB -1.238 37.244 38.460 0.037 0.000 0.995 383 Y HN 0.113 nan 8.280 nan 0.000 0.491 384 N N 0.657 119.470 118.700 0.190 0.000 2.336 384 N HA -0.067 4.673 4.740 -0.001 0.000 0.189 384 N C 1.247 176.789 175.510 0.053 0.000 1.113 384 N CA 0.308 53.425 53.050 0.112 0.000 0.858 384 N CB -0.614 37.938 38.487 0.109 0.000 0.970 384 N HN 0.391 nan 8.380 nan 0.000 0.471 385 I N 1.172 121.760 120.570 0.030 0.000 2.143 385 I HA -0.344 3.826 4.170 -0.001 0.000 0.245 385 I C 0.856 176.952 176.117 -0.035 0.000 1.068 385 I CA 1.855 63.129 61.300 -0.043 0.000 1.326 385 I CB -0.406 37.533 38.000 -0.101 0.000 1.028 385 I HN 0.012 nan 8.210 nan 0.000 0.412 386 D N 0.012 120.410 120.400 -0.003 0.000 2.097 386 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 386 D C 2.178 178.479 176.300 0.002 0.000 0.984 386 D CA 1.325 55.323 54.000 -0.003 0.000 0.826 386 D CB -0.364 40.443 40.800 0.013 0.000 0.973 386 D HN 0.361 nan 8.370 nan 0.000 0.460 387 R N 0.173 120.683 120.500 0.015 0.000 2.319 387 R HA 0.110 4.449 4.340 -0.001 0.000 0.204 387 R C 1.242 177.551 176.300 0.016 0.000 0.954 387 R CA 0.162 56.273 56.100 0.018 0.000 1.066 387 R CB 0.008 30.325 30.300 0.028 0.000 0.991 387 R HN 0.249 nan 8.270 nan 0.000 0.486 388 L N -1.437 119.790 121.223 0.006 0.000 2.433 388 L HA 0.078 4.417 4.340 -0.001 0.000 0.200 388 L C 1.818 178.682 176.870 -0.009 0.000 1.059 388 L CA 0.472 55.314 54.840 0.004 0.000 0.835 388 L CB 0.126 42.186 42.059 0.001 0.000 1.076 388 L HN 0.089 nan 8.230 nan 0.000 0.481 389 T N -0.722 113.814 114.554 -0.031 0.000 2.778 389 T HA -0.292 4.058 4.350 -0.001 0.000 0.269 389 T C 1.624 176.315 174.700 -0.016 0.000 1.050 389 T CA 1.529 63.607 62.100 -0.037 0.000 1.137 389 T CB -0.113 68.718 68.868 -0.061 0.000 0.860 389 T HN 0.127 nan 8.240 nan 0.000 0.468 390 Q N -0.142 119.653 119.800 -0.009 0.000 2.432 390 Q HA 0.171 4.511 4.340 -0.001 0.000 0.205 390 Q C 1.651 177.654 176.000 0.006 0.000 0.945 390 Q CA 0.490 56.292 55.803 -0.002 0.000 0.924 390 Q CB -0.274 28.463 28.738 -0.001 0.000 1.016 390 Q HN 0.347 nan 8.270 nan 0.000 0.503 391 L N -1.401 119.828 121.223 0.009 0.000 2.179 391 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 391 L C 1.903 178.788 176.870 0.024 0.000 1.096 391 L CA 0.770 55.622 54.840 0.020 0.000 0.779 391 L CB -0.529 41.545 42.059 0.025 0.000 0.922 391 L HN 0.079 nan 8.230 nan 0.000 0.443 392 V N -0.823 119.102 119.914 0.018 0.000 2.216 392 V HA -0.188 3.931 4.120 -0.001 0.000 0.243 392 V C 1.393 177.497 176.094 0.016 0.000 1.044 392 V CA 0.942 63.253 62.300 0.019 0.000 0.995 392 V CB -0.395 31.442 31.823 0.024 0.000 0.633 392 V HN 0.302 nan 8.190 nan 0.000 0.446 393 R N 0.774 121.281 120.500 0.012 0.000 2.458 393 R HA 0.111 4.451 4.340 -0.001 0.000 0.303 393 R C 0.399 176.707 176.300 0.014 0.000 1.013 393 R CA 1.006 57.112 56.100 0.010 0.000 1.026 393 R CB -0.365 29.938 30.300 0.006 0.000 0.948 393 R HN 0.534 nan 8.270 nan 0.000 0.417 394 N N 1.331 120.042 118.700 0.018 0.000 2.453 394 N HA -0.137 4.603 4.740 -0.001 0.000 0.188 394 N C 0.295 175.833 175.510 0.046 0.000 1.662 394 N CA 1.598 54.664 53.050 0.028 0.000 3.311 394 N CB -1.569 36.935 38.487 0.029 0.000 1.487 394 N HN 0.798 nan 8.380 nan 0.000 1.115 395 G N 0.652 109.481 108.800 0.047 0.000 2.574 395 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.282 395 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.282 395 G C -1.988 172.992 174.900 0.133 0.000 1.257 395 G CA 0.666 45.795 45.100 0.048 0.000 0.956 395 G HN 0.435 nan 8.290 nan 0.000 0.560 396 P HA 0.080 nan 4.420 nan 0.000 0.249 396 P C 0.875 178.306 177.300 0.219 0.000 1.229 396 P CA 1.152 64.370 63.100 0.197 0.000 0.788 396 P CB 0.029 31.758 31.700 0.048 0.000 1.072 397 N N -0.360 118.413 118.700 0.121 0.000 2.622 397 N HA 0.043 4.782 4.740 -0.001 0.000 0.213 397 N C 0.370 175.894 175.510 0.023 0.000 1.037 397 N CA -0.260 52.824 53.050 0.056 0.000 0.999 397 N CB 0.142 38.645 38.487 0.027 0.000 1.342 397 N HN 0.046 nan 8.380 nan 0.000 0.465 398 E N 0.822 121.037 120.200 0.025 0.000 2.467 398 E HA -0.151 4.199 4.350 -0.001 0.000 0.264 398 E C 0.264 176.858 176.600 -0.010 0.000 1.020 398 E CA 0.277 56.685 56.400 0.014 0.000 0.945 398 E CB 0.772 30.481 29.700 0.016 0.000 0.942 398 E HN 0.340 nan 8.360 nan 0.000 0.449 399 H N 3.779 122.787 119.070 -0.104 0.000 2.716 399 H HA -0.005 4.551 4.556 -0.001 0.000 0.303 399 H C -1.671 173.583 175.328 -0.122 0.000 1.022 399 H CA 0.707 56.645 56.048 -0.184 0.000 1.149 399 H CB -1.034 28.644 29.762 -0.141 0.000 1.499 399 H HN 0.317 nan 8.280 nan 0.000 0.698 400 P HA 0.163 nan 4.420 nan 0.000 0.256 400 P C -0.512 176.692 177.300 -0.160 0.000 1.189 400 P CA 1.353 64.144 63.100 -0.516 0.000 0.808 400 P CB 0.312 31.888 31.700 -0.207 0.000 0.793 401 G N 1.603 110.412 108.800 0.016 0.000 2.490 401 G HA2 0.681 4.641 3.960 -0.001 0.000 0.308 401 G HA3 0.681 4.641 3.960 -0.001 0.000 0.308 401 G C -1.994 173.066 174.900 0.267 0.000 1.286 401 G CA -0.076 45.147 45.100 0.204 0.000 0.825 401 G HN 0.496 nan 8.290 nan 0.000 0.479 402 A N -1.215 121.613 122.820 0.013 0.000 2.485 402 A HA 0.879 5.199 4.320 -0.001 0.000 0.292 402 A C 0.127 177.542 177.584 -0.281 0.000 1.147 402 A CA -0.424 51.495 52.037 -0.196 0.000 0.750 402 A CB 1.898 20.877 19.000 -0.036 0.000 1.331 402 A HN 0.509 nan 8.150 nan 0.000 0.419 403 K N -0.464 119.839 120.400 -0.162 0.000 3.038 403 K HA 0.266 4.585 4.320 -0.001 0.000 0.232 403 K C -0.477 176.253 176.600 0.217 0.000 1.124 403 K CA 0.626 56.956 56.287 0.073 0.000 1.232 403 K CB -0.667 31.989 32.500 0.260 0.000 1.767 403 K HN 0.612 nan 8.250 nan 0.000 0.463 404 Y N 0.912 121.170 120.300 -0.070 0.000 2.301 404 Y HA 0.309 4.859 4.550 -0.001 0.000 0.325 404 Y C 0.335 176.224 175.900 -0.019 0.000 1.203 404 Y CA -1.495 56.583 58.100 -0.038 0.000 1.255 404 Y CB 0.749 39.195 38.460 -0.023 0.000 1.232 404 Y HN -0.225 nan 8.280 nan 0.000 0.501 405 V N 5.102 125.097 119.914 0.136 0.000 2.357 405 V HA 0.343 4.463 4.120 -0.001 0.000 0.284 405 V C -0.135 175.996 176.094 0.061 0.000 1.018 405 V CA -0.775 61.591 62.300 0.109 0.000 0.841 405 V CB 0.950 32.843 31.823 0.116 0.000 0.991 405 V HN 0.557 nan 8.190 nan 0.000 0.437 406 I N 6.461 127.066 120.570 0.058 0.000 2.321 406 I HA 0.469 4.638 4.170 -0.001 0.000 0.291 406 I C 0.734 176.777 176.117 -0.124 0.000 0.998 406 I CA -0.437 60.852 61.300 -0.018 0.000 1.227 406 I CB 0.900 38.904 38.000 0.005 0.000 1.368 406 I HN 0.544 nan 8.210 nan 0.000 0.466 407 R N 3.409 123.707 120.500 -0.337 0.000 2.523 407 R HA 0.202 4.541 4.340 -0.001 0.000 0.229 407 R C 0.646 176.683 176.300 -0.438 0.000 1.265 407 R CA -0.487 55.164 56.100 -0.749 0.000 1.081 407 R CB 0.426 30.230 30.300 -0.827 0.000 1.540 407 R HN 0.656 nan 8.270 nan 0.000 0.560 408 D N -0.434 119.694 120.400 -0.453 0.000 2.149 408 D HA -0.131 4.509 4.640 -0.001 0.000 0.206 408 D C 0.870 177.083 176.300 -0.145 0.000 0.967 408 D CA 0.724 54.617 54.000 -0.178 0.000 0.848 408 D CB -0.400 40.361 40.800 -0.066 0.000 0.998 408 D HN 0.354 nan 8.370 nan 0.000 0.474 409 S N -0.558 115.039 115.700 -0.172 0.000 3.593 409 S HA 0.399 4.869 4.470 -0.001 0.000 0.224 409 S C 1.703 176.243 174.600 -0.101 0.000 1.333 409 S CA -0.054 58.076 58.200 -0.117 0.000 1.164 409 S CB -1.010 62.123 63.200 -0.112 0.000 1.281 409 S HN 0.631 nan 8.310 nan 0.000 0.457 410 G N 1.730 110.478 108.800 -0.087 0.000 3.403 410 G HA2 -0.450 3.510 3.960 -0.001 0.000 0.226 410 G HA3 -0.450 3.510 3.960 -0.001 0.000 0.226 410 G C 0.138 175.000 174.900 -0.064 0.000 1.312 410 G CA 0.745 45.809 45.100 -0.060 0.000 1.060 410 G HN 0.765 nan 8.290 nan 0.000 0.574 411 D N 0.979 121.332 120.400 -0.078 0.000 2.703 411 D HA 0.214 4.854 4.640 -0.001 0.000 0.225 411 D C 0.809 177.060 176.300 -0.081 0.000 1.119 411 D CA 0.593 54.546 54.000 -0.078 0.000 0.845 411 D CB 0.209 40.949 40.800 -0.101 0.000 1.182 411 D HN 0.518 nan 8.370 nan 0.000 0.493 412 R N 3.730 124.208 120.500 -0.037 0.000 2.295 412 R HA 0.407 4.746 4.340 -0.001 0.000 0.324 412 R C -0.530 175.749 176.300 -0.034 0.000 0.968 412 R CA -0.739 55.358 56.100 -0.004 0.000 0.837 412 R CB 0.607 30.955 30.300 0.079 0.000 1.133 412 R HN 0.482 nan 8.270 nan 0.000 0.450 413 I N 3.821 124.363 120.570 -0.048 0.000 2.291 413 I HA 0.049 4.219 4.170 -0.001 0.000 0.292 413 I C -0.070 175.988 176.117 -0.097 0.000 1.064 413 I CA -0.149 61.114 61.300 -0.062 0.000 1.269 413 I CB 0.982 38.950 38.000 -0.054 0.000 1.418 413 I HN 0.445 nan 8.210 nan 0.000 0.485 414 D N 8.218 128.525 120.400 -0.155 0.000 2.468 414 D HA 0.177 4.817 4.640 -0.001 0.000 0.218 414 D C 0.120 176.277 176.300 -0.238 0.000 1.155 414 D CA -0.517 53.283 54.000 -0.334 0.000 0.924 414 D CB 0.868 41.501 40.800 -0.279 0.000 1.029 414 D HN 0.387 nan 8.370 nan 0.000 0.515 415 L N 2.149 123.233 121.223 -0.231 0.000 2.968 415 L HA 0.411 4.751 4.340 -0.001 0.000 0.235 415 L C 1.078 177.840 176.870 -0.180 0.000 1.323 415 L CA -0.349 54.407 54.840 -0.141 0.000 1.159 415 L CB -0.098 41.923 42.059 -0.063 0.000 1.523 415 L HN 0.100 nan 8.230 nan 0.000 0.468 416 R N -2.790 117.515 120.500 -0.324 0.000 2.404 416 R HA 0.367 4.706 4.340 -0.001 0.000 0.237 416 R C 0.095 176.104 176.300 -0.484 0.000 0.907 416 R CA 0.022 55.885 56.100 -0.396 0.000 1.063 416 R CB -0.482 29.532 30.300 -0.477 0.000 1.134 416 R HN 0.447 nan 8.270 nan 0.000 0.529 417 Y N -0.077 120.173 120.300 -0.082 0.000 3.214 417 Y HA 0.493 5.043 4.550 -0.001 0.000 0.291 417 Y C 0.173 176.039 175.900 -0.057 0.000 1.653 417 Y CA -0.676 57.387 58.100 -0.062 0.000 0.828 417 Y CB -0.067 38.353 38.460 -0.068 0.000 1.209 417 Y HN 0.033 nan 8.280 nan 0.000 0.715 418 S N 0.040 115.832 115.700 0.153 0.000 3.089 418 S HA -0.171 4.298 4.470 -0.001 0.000 0.857 418 S C 0.024 174.644 174.600 0.035 0.000 1.012 418 S CA 0.151 58.384 58.200 0.055 0.000 1.286 418 S CB -0.306 62.904 63.200 0.016 0.000 0.913 418 S HN 0.626 nan 8.310 nan 0.000 0.247 419 K N 3.375 123.786 120.400 0.019 0.000 2.148 419 K HA 0.002 4.322 4.320 -0.001 0.000 0.204 419 K C 1.800 178.407 176.600 0.012 0.000 1.050 419 K CA 1.306 57.600 56.287 0.012 0.000 0.942 419 K CB -0.071 32.432 32.500 0.005 0.000 0.724 419 K HN 0.514 nan 8.250 nan 0.000 0.446 420 R N -0.051 120.456 120.500 0.012 0.000 2.468 420 R HA 0.224 4.564 4.340 -0.001 0.000 0.280 420 R C 1.524 177.834 176.300 0.016 0.000 0.963 420 R CA 0.038 56.147 56.100 0.015 0.000 1.083 420 R CB 0.563 30.874 30.300 0.018 0.000 1.200 420 R HN 0.115 nan 8.270 nan 0.000 0.541 421 A N 0.653 123.479 122.820 0.011 0.000 1.933 421 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 421 A C 1.793 179.382 177.584 0.008 0.000 1.175 421 A CA 1.633 53.672 52.037 0.005 0.000 0.628 421 A CB -0.353 18.644 19.000 -0.004 0.000 0.814 421 A HN 0.354 nan 8.150 nan 0.000 0.444 422 G N -0.493 108.313 108.800 0.010 0.000 3.474 422 G HA2 0.369 4.328 3.960 -0.001 0.000 0.269 422 G HA3 0.369 4.328 3.960 -0.001 0.000 0.269 422 G C 0.250 175.156 174.900 0.010 0.000 1.339 422 G CA 0.733 45.839 45.100 0.009 0.000 1.258 422 G HN 0.723 nan 8.290 nan 0.000 0.560 423 D N -1.195 119.213 120.400 0.013 0.000 2.406 423 D HA 0.128 4.767 4.640 -0.001 0.000 0.086 423 D C -0.136 176.176 176.300 0.019 0.000 1.403 423 D CA -0.288 53.720 54.000 0.013 0.000 1.358 423 D CB 0.198 41.005 40.800 0.012 0.000 2.445 423 D HN 0.209 nan 8.370 nan 0.000 0.205 424 I N 0.620 121.210 120.570 0.034 0.000 8.252 424 I HA -0.154 4.015 4.170 -0.001 0.000 0.147 424 I C -1.260 174.872 176.117 0.026 0.000 1.853 424 I CA 0.250 61.587 61.300 0.062 0.000 2.037 424 I CB -0.137 37.912 38.000 0.082 0.000 3.797 424 I HN 0.350 nan 8.210 nan 0.000 0.169 425 Q N 6.973 126.802 119.800 0.048 0.000 2.425 425 Q HA 0.540 4.879 4.340 -0.001 0.000 0.254 425 Q C -0.894 174.966 176.000 -0.233 0.000 1.032 425 Q CA -0.681 55.090 55.803 -0.053 0.000 0.798 425 Q CB 1.572 30.307 28.738 -0.005 0.000 1.210 425 Q HN 0.502 nan 8.270 nan 0.000 0.491 426 L N 2.736 123.719 121.223 -0.399 0.000 2.278 426 L HA 0.220 4.559 4.340 -0.001 0.000 0.287 426 L C 0.364 176.636 176.870 -0.997 0.000 1.072 426 L CA -0.273 54.083 54.840 -0.807 0.000 0.819 426 L CB 0.663 42.437 42.059 -0.474 0.000 1.176 426 L HN 0.380 nan 8.230 nan 0.000 0.435 427 Q N 1.817 120.692 119.800 -1.543 0.000 2.199 427 Q HA 0.351 4.690 4.340 -0.001 0.000 0.232 427 Q C -1.092 174.341 176.000 -0.946 0.000 0.969 427 Q CA -0.301 54.879 55.803 -1.038 0.000 0.925 427 Q CB 1.015 29.370 28.738 -0.637 0.000 1.198 427 Q HN 0.255 nan 8.270 nan 0.000 0.494 428 Y N -0.258 119.811 120.300 -0.385 0.000 2.397 428 Y HA 0.331 4.880 4.550 -0.001 0.000 0.335 428 Y C 1.570 177.374 175.900 -0.160 0.000 1.213 428 Y CA 0.921 58.875 58.100 -0.244 0.000 1.391 428 Y CB 0.539 38.894 38.460 -0.174 0.000 1.293 428 Y HN 0.787 nan 8.280 nan 0.000 0.557 429 G N -0.521 108.336 108.800 0.096 0.000 2.176 429 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.232 429 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.232 429 G C -0.283 174.809 174.900 0.320 0.000 0.986 429 G CA -0.423 44.777 45.100 0.167 0.000 0.643 429 G HN 0.510 nan 8.290 nan 0.000 0.522 430 W N 0.559 121.857 121.300 -0.003 0.000 2.365 430 W HA 0.802 5.462 4.660 -0.001 0.000 0.410 430 W C 0.644 177.151 176.519 -0.020 0.000 1.634 430 W CA -1.281 56.054 57.345 -0.017 0.000 1.761 430 W CB 0.303 29.747 29.460 -0.027 0.000 1.485 430 W HN -0.001 nan 8.180 nan 0.000 0.706 431 K N 0.508 121.062 120.400 0.257 0.000 2.378 431 K HA 0.573 4.892 4.320 -0.001 0.000 0.252 431 K C -1.434 175.235 176.600 0.116 0.000 0.931 431 K CA -0.959 55.396 56.287 0.114 0.000 0.794 431 K CB 2.542 35.060 32.500 0.031 0.000 1.181 431 K HN 0.033 nan 8.250 nan 0.000 0.425 432 V N 2.749 122.708 119.914 0.074 0.000 2.305 432 V HA 0.102 4.221 4.120 -0.001 0.000 0.275 432 V C -0.100 176.014 176.094 0.033 0.000 1.020 432 V CA -0.687 61.655 62.300 0.070 0.000 0.811 432 V CB 0.969 32.834 31.823 0.070 0.000 1.031 432 V HN 0.750 nan 8.190 nan 0.000 0.439 433 E N 4.902 125.117 120.200 0.025 0.000 1.954 433 E HA -0.007 4.342 4.350 -0.001 0.000 0.272 433 E C 0.699 177.299 176.600 0.001 0.000 1.170 433 E CA -0.161 56.234 56.400 -0.008 0.000 1.101 433 E CB 0.035 29.721 29.700 -0.024 0.000 1.076 433 E HN 0.664 nan 8.360 nan 0.000 0.449 434 R N 1.019 121.538 120.500 0.031 0.000 2.738 434 R HA 0.143 4.483 4.340 -0.001 0.000 0.268 434 R C -0.229 176.098 176.300 0.045 0.000 1.062 434 R CA -0.388 55.730 56.100 0.030 0.000 1.158 434 R CB 0.416 30.767 30.300 0.086 0.000 1.046 434 R HN 0.290 nan 8.270 nan 0.000 0.493 435 H N 0.095 119.206 119.070 0.068 0.000 2.913 435 H HA 0.026 4.581 4.556 -0.001 0.000 0.365 435 H C 0.236 175.632 175.328 0.114 0.000 1.155 435 H CA 0.038 56.137 56.048 0.086 0.000 1.417 435 H CB 0.410 30.187 29.762 0.025 0.000 1.386 435 H HN 0.368 nan 8.280 nan 0.000 0.614 436 I N 1.610 122.365 120.570 0.308 0.000 2.948 436 I HA -0.094 4.075 4.170 -0.001 0.000 0.290 436 I C 0.272 176.523 176.117 0.223 0.000 1.226 436 I CA 1.271 62.711 61.300 0.233 0.000 1.413 436 I CB 0.138 38.267 38.000 0.214 0.000 1.352 436 I HN 0.444 nan 8.210 nan 0.000 0.597 437 M N 3.000 122.693 119.600 0.154 0.000 2.619 437 M HA 0.251 4.731 4.480 -0.001 0.000 0.297 437 M C -0.794 175.572 176.300 0.111 0.000 1.229 437 M CA -0.953 54.436 55.300 0.148 0.000 0.860 437 M CB 1.940 34.592 32.600 0.087 0.000 1.741 437 M HN 0.426 nan 8.290 nan 0.000 0.462 438 D N 1.924 122.398 120.400 0.124 0.000 2.586 438 D HA -0.045 4.594 4.640 -0.001 0.000 0.234 438 D C -0.290 176.034 176.300 0.040 0.000 1.132 438 D CA 1.673 55.716 54.000 0.071 0.000 0.860 438 D CB 0.189 41.031 40.800 0.070 0.000 1.159 438 D HN 0.504 nan 8.370 nan 0.000 0.490 439 N N 2.252 120.967 118.700 0.025 0.000 2.688 439 N HA -0.166 4.574 4.740 -0.001 0.000 0.261 439 N C -1.734 173.775 175.510 -0.001 0.000 1.116 439 N CA 0.624 53.680 53.050 0.010 0.000 0.689 439 N CB -0.445 38.046 38.487 0.007 0.000 0.882 439 N HN 0.430 nan 8.380 nan 0.000 0.554 440 D N -0.400 120.000 120.400 -0.001 0.000 2.527 440 D HA 0.486 5.125 4.640 -0.001 0.000 0.233 440 D C -2.548 173.741 176.300 -0.019 0.000 1.063 440 D CA -1.381 52.602 54.000 -0.027 0.000 0.880 440 D CB 2.001 42.787 40.800 -0.024 0.000 1.457 440 D HN -0.035 nan 8.370 nan 0.000 0.475 441 P HA 0.199 nan 4.420 nan 0.000 0.282 441 P C -0.705 176.605 177.300 0.016 0.000 1.262 441 P CA -0.347 62.745 63.100 -0.013 0.000 0.773 441 P CB 0.976 32.656 31.700 -0.033 0.000 0.879 442 V N 1.918 121.866 119.914 0.056 0.000 3.130 442 V HA 0.471 4.590 4.120 -0.001 0.000 0.310 442 V C -0.599 175.581 176.094 0.143 0.000 1.158 442 V CA -1.115 61.240 62.300 0.092 0.000 1.029 442 V CB 2.568 34.438 31.823 0.079 0.000 1.057 442 V HN 0.358 nan 8.190 nan 0.000 0.436 443 L N 2.423 123.753 121.223 0.178 0.000 2.265 443 L HA 0.567 4.906 4.340 -0.001 0.000 0.289 443 L C -1.472 175.565 176.870 0.280 0.000 1.033 443 L CA -0.296 54.682 54.840 0.231 0.000 0.814 443 L CB 1.162 43.364 42.059 0.238 0.000 1.203 443 L HN 0.737 nan 8.230 nan 0.000 0.423 444 F N 5.879 125.907 119.950 0.130 0.000 2.421 444 F HA 0.455 4.981 4.527 -0.001 0.000 0.337 444 F C 0.065 175.931 175.800 0.111 0.000 1.105 444 F CA -0.758 57.236 58.000 -0.009 0.000 1.049 444 F CB 1.305 40.254 39.000 -0.084 0.000 1.139 444 F HN 0.499 nan 8.300 nan 0.000 0.479 445 N N 4.565 123.021 118.700 -0.407 0.000 2.277 445 N HA 0.420 5.159 4.740 -0.001 0.000 0.286 445 N C -1.939 173.329 175.510 -0.402 0.000 1.140 445 N CA -0.575 52.368 53.050 -0.179 0.000 0.799 445 N CB 2.078 40.531 38.487 -0.058 0.000 1.596 445 N HN 0.669 nan 8.380 nan 0.000 0.473 446 R N 2.761 123.182 120.500 -0.130 0.000 2.512 446 R HA 0.203 4.543 4.340 -0.001 0.000 0.291 446 R C -1.447 174.837 176.300 -0.025 0.000 1.097 446 R CA -0.255 55.757 56.100 -0.147 0.000 0.940 446 R CB 1.258 31.468 30.300 -0.150 0.000 1.198 446 R HN 0.709 nan 8.270 nan 0.000 0.429 447 Q N 3.268 123.045 119.800 -0.038 0.000 2.214 447 Q HA 0.460 4.799 4.340 -0.001 0.000 0.251 447 Q C -2.130 173.867 176.000 -0.006 0.000 0.936 447 Q CA -1.818 53.982 55.803 -0.005 0.000 0.894 447 Q CB 0.748 29.486 28.738 0.000 0.000 1.252 447 Q HN 0.354 nan 8.270 nan 0.000 0.448 448 P HA -0.031 nan 4.420 nan 0.000 0.261 448 P C -1.136 176.174 177.300 0.018 0.000 1.183 448 P CA 0.180 63.284 63.100 0.007 0.000 0.761 448 P CB 0.385 32.084 31.700 -0.002 0.000 0.785 449 S N 2.881 118.599 115.700 0.029 0.000 2.466 449 S HA 0.411 4.880 4.470 -0.001 0.000 0.313 449 S C 0.098 174.726 174.600 0.047 0.000 1.078 449 S CA -0.739 57.492 58.200 0.051 0.000 1.115 449 S CB -0.052 63.183 63.200 0.058 0.000 1.006 449 S HN 0.251 nan 8.310 nan 0.000 0.487 450 L N -0.331 120.917 121.223 0.042 0.000 3.255 450 L HA 0.580 4.919 4.340 -0.001 0.000 0.293 450 L C -0.293 176.605 176.870 0.047 0.000 1.302 450 L CA -0.388 54.456 54.840 0.007 0.000 0.977 450 L CB -1.195 40.830 42.059 -0.057 0.000 1.390 450 L HN 0.851 nan 8.230 nan 0.000 0.588 451 H N 0.571 119.629 119.070 -0.020 0.000 3.163 451 H HA 0.170 4.725 4.556 -0.001 0.000 0.322 451 H C 0.043 175.349 175.328 -0.037 0.000 1.047 451 H CA -0.398 55.628 56.048 -0.036 0.000 1.418 451 H CB 1.901 31.639 29.762 -0.040 0.000 2.016 451 H HN 0.344 nan 8.280 nan 0.000 0.454 452 K N 2.580 122.990 120.400 0.017 0.000 2.589 452 K HA -0.140 4.180 4.320 -0.001 0.000 0.195 452 K C 0.742 177.265 176.600 -0.128 0.000 1.042 452 K CA 1.481 57.739 56.287 -0.049 0.000 0.940 452 K CB 0.103 32.568 32.500 -0.058 0.000 0.776 452 K HN 0.369 nan 8.250 nan 0.000 0.487 453 M N 0.231 119.697 119.600 -0.223 0.000 2.514 453 M HA 0.124 4.603 4.480 -0.001 0.000 0.258 453 M C 1.347 177.498 176.300 -0.248 0.000 1.159 453 M CA 0.648 55.751 55.300 -0.329 0.000 1.116 453 M CB 0.704 32.943 32.600 -0.602 0.000 1.333 453 M HN 0.013 nan 8.290 nan 0.000 0.487 454 S N 0.131 115.814 115.700 -0.028 0.000 2.595 454 S HA 0.090 4.560 4.470 -0.001 0.000 0.235 454 S C 0.369 175.070 174.600 0.169 0.000 0.974 454 S CA 0.654 58.906 58.200 0.087 0.000 0.942 454 S CB -0.261 63.023 63.200 0.141 0.000 0.766 454 S HN 0.265 nan 8.310 nan 0.000 0.536 455 M N 1.221 120.869 119.600 0.080 0.000 2.035 455 M HA 0.537 5.016 4.480 -0.001 0.000 0.286 455 M C -1.192 175.177 176.300 0.115 0.000 0.907 455 M CA 0.138 55.522 55.300 0.140 0.000 0.935 455 M CB 0.943 33.594 32.600 0.085 0.000 1.557 455 M HN -0.010 nan 8.290 nan 0.000 0.426 456 M N 2.084 121.838 119.600 0.257 0.000 2.501 456 M HA 0.818 5.297 4.480 -0.001 0.000 0.293 456 M C -0.630 175.790 176.300 0.199 0.000 1.192 456 M CA -0.648 54.750 55.300 0.163 0.000 0.886 456 M CB 2.488 35.140 32.600 0.087 0.000 1.710 456 M HN 0.647 nan 8.290 nan 0.000 0.457 457 A N 2.154 124.987 122.820 0.023 0.000 2.401 457 A HA 0.566 4.885 4.320 -0.001 0.000 0.259 457 A C -0.888 176.615 177.584 -0.136 0.000 1.103 457 A CA -0.025 52.021 52.037 0.015 0.000 0.789 457 A CB 0.116 19.107 19.000 -0.015 0.000 1.035 457 A HN 0.834 nan 8.150 nan 0.000 0.491 458 H N 0.988 120.076 119.070 0.030 0.000 2.907 458 H HA 0.436 4.991 4.556 -0.001 0.000 0.361 458 H C -0.421 174.886 175.328 -0.035 0.000 1.194 458 H CA -0.661 55.378 56.048 -0.016 0.000 1.152 458 H CB 1.703 31.412 29.762 -0.088 0.000 1.867 458 H HN 0.751 nan 8.280 nan 0.000 0.561 459 R N 0.234 120.793 120.500 0.098 0.000 2.532 459 R HA 0.449 4.788 4.340 -0.001 0.000 0.272 459 R C -0.744 175.568 176.300 0.020 0.000 1.032 459 R CA -0.756 55.368 56.100 0.040 0.000 1.089 459 R CB 1.201 31.516 30.300 0.025 0.000 1.098 459 R HN 0.185 nan 8.270 nan 0.000 0.526 460 V N 1.765 121.686 119.914 0.010 0.000 2.384 460 V HA 0.333 4.452 4.120 -0.001 0.000 0.287 460 V C -0.463 175.634 176.094 0.004 0.000 1.020 460 V CA -0.817 61.484 62.300 0.002 0.000 0.850 460 V CB 1.202 33.040 31.823 0.025 0.000 0.987 460 V HN 0.588 nan 8.190 nan 0.000 0.436 461 K N 4.535 124.927 120.400 -0.013 0.000 2.367 461 K HA 0.583 4.902 4.320 -0.001 0.000 0.263 461 K C -0.844 175.734 176.600 -0.035 0.000 1.000 461 K CA -0.410 55.868 56.287 -0.015 0.000 0.891 461 K CB 1.397 33.887 32.500 -0.016 0.000 1.117 461 K HN 0.528 nan 8.250 nan 0.000 0.443 462 V N 5.760 125.642 119.914 -0.052 0.000 2.637 462 V HA 0.343 4.462 4.120 -0.001 0.000 0.296 462 V C 0.202 176.218 176.094 -0.130 0.000 1.046 462 V CA -0.358 61.863 62.300 -0.132 0.000 1.066 462 V CB -0.197 31.449 31.823 -0.295 0.000 0.968 462 V HN 0.725 nan 8.190 nan 0.000 0.483 463 I N 2.981 123.470 120.570 -0.135 0.000 3.006 463 I HA 0.714 4.884 4.170 -0.001 0.000 0.306 463 I C -2.743 173.309 176.117 -0.109 0.000 1.250 463 I CA -2.351 58.895 61.300 -0.090 0.000 0.996 463 I CB 1.853 39.829 38.000 -0.040 0.000 1.261 463 I HN 0.376 nan 8.210 nan 0.000 0.442 464 P HA 0.299 nan 4.420 nan 0.000 0.275 464 P C -1.350 175.893 177.300 -0.096 0.000 1.266 464 P CA -0.078 62.903 63.100 -0.198 0.000 0.793 464 P CB 0.223 31.746 31.700 -0.294 0.000 1.074 465 Y N -2.320 117.926 120.300 -0.090 0.000 2.564 465 Y HA -0.188 4.361 4.550 -0.001 0.000 0.026 465 Y C 1.066 176.893 175.900 -0.122 0.000 1.760 465 Y CA 0.489 58.534 58.100 -0.090 0.000 1.378 465 Y CB -2.194 36.220 38.460 -0.077 0.000 2.026 465 Y HN 0.302 nan 8.280 nan 0.000 0.263 466 S N 0.105 115.805 115.700 0.000 0.000 2.906 466 S HA 0.173 4.642 4.470 -0.001 0.000 0.234 466 S C 0.412 174.921 174.600 -0.153 0.000 0.973 466 S CA 0.121 58.260 58.200 -0.102 0.000 1.036 466 S CB -0.593 62.553 63.200 -0.090 0.000 0.798 466 S HN 0.671 nan 8.310 nan 0.000 0.498 467 T N -0.510 113.973 114.554 -0.118 0.000 2.902 467 T HA 0.617 4.966 4.350 -0.001 0.000 0.283 467 T C -0.172 174.403 174.700 -0.209 0.000 1.009 467 T CA -0.947 61.069 62.100 -0.139 0.000 1.051 467 T CB 0.373 69.212 68.868 -0.048 0.000 0.999 467 T HN 0.172 nan 8.240 nan 0.000 0.474 468 F N 2.718 122.663 119.950 -0.008 0.000 2.571 468 F HA 0.197 4.723 4.527 -0.001 0.000 0.384 468 F C 1.638 177.393 175.800 -0.075 0.000 1.058 468 F CA -0.494 57.482 58.000 -0.040 0.000 1.200 468 F CB 0.503 39.544 39.000 0.068 0.000 1.077 468 F HN 0.386 nan 8.300 nan 0.000 0.558 469 R N 4.773 125.301 120.500 0.046 0.000 2.532 469 R HA 0.843 5.183 4.340 -0.001 0.000 0.295 469 R C -1.489 174.764 176.300 -0.078 0.000 0.968 469 R CA -1.072 54.996 56.100 -0.053 0.000 0.916 469 R CB 1.393 31.644 30.300 -0.082 0.000 1.124 469 R HN 0.629 nan 8.270 nan 0.000 0.463 470 L N -0.864 120.320 121.223 -0.066 0.000 2.409 470 L HA 0.540 4.880 4.340 -0.001 0.000 0.262 470 L C -0.462 176.429 176.870 0.034 0.000 0.992 470 L CA -1.232 53.584 54.840 -0.040 0.000 0.817 470 L CB 1.543 43.599 42.059 -0.005 0.000 1.350 470 L HN 0.581 nan 8.230 nan 0.000 0.411 471 N N 1.601 120.334 118.700 0.054 0.000 2.444 471 N HA 0.159 4.898 4.740 -0.001 0.000 0.255 471 N C 0.266 175.851 175.510 0.124 0.000 1.255 471 N CA -0.023 53.074 53.050 0.078 0.000 0.933 471 N CB 1.367 39.894 38.487 0.067 0.000 1.143 471 N HN 0.972 nan 8.380 nan 0.000 0.453 472 L N 1.043 122.343 121.223 0.129 0.000 2.418 472 L HA 0.061 4.400 4.340 -0.001 0.000 0.218 472 L C 1.527 178.486 176.870 0.147 0.000 1.125 472 L CA 0.589 55.538 54.840 0.182 0.000 0.835 472 L CB 0.024 42.185 42.059 0.170 0.000 0.953 472 L HN 0.529 nan 8.230 nan 0.000 0.454 473 S N -1.948 113.791 115.700 0.066 0.000 2.557 473 S HA 0.085 4.555 4.470 -0.001 0.000 0.223 473 S C 1.035 175.564 174.600 -0.119 0.000 0.969 473 S CA -0.079 58.110 58.200 -0.019 0.000 0.927 473 S CB 0.840 64.017 63.200 -0.037 0.000 0.806 473 S HN 0.110 nan 8.310 nan 0.000 0.489 474 V N 1.773 121.690 119.914 0.004 0.000 3.499 474 V HA 0.120 4.239 4.120 -0.001 0.000 0.308 474 V C 1.644 177.874 176.094 0.227 0.000 1.319 474 V CA 0.852 63.214 62.300 0.103 0.000 1.194 474 V CB -0.167 31.815 31.823 0.264 0.000 1.072 474 V HN 0.424 nan 8.190 nan 0.000 0.426 475 T N -1.237 113.408 114.554 0.152 0.000 3.051 475 T HA -0.021 4.328 4.350 -0.001 0.000 0.255 475 T C 2.006 176.762 174.700 0.094 0.000 1.085 475 T CA 1.518 63.703 62.100 0.142 0.000 1.109 475 T CB 0.164 69.079 68.868 0.079 0.000 0.921 475 T HN 0.573 nan 8.240 nan 0.000 0.488 476 S N 1.813 117.556 115.700 0.072 0.000 2.371 476 S HA 0.017 4.487 4.470 -0.001 0.000 0.224 476 S C -0.657 173.981 174.600 0.065 0.000 1.029 476 S CA 0.863 59.099 58.200 0.061 0.000 0.978 476 S CB -0.747 62.492 63.200 0.064 0.000 0.833 476 S HN 0.496 nan 8.310 nan 0.000 0.466 477 P HA 0.107 nan 4.420 nan 0.000 0.226 477 P C 0.553 177.847 177.300 -0.011 0.000 1.161 477 P CA 0.671 63.760 63.100 -0.018 0.000 0.804 477 P CB -0.119 31.472 31.700 -0.183 0.000 0.829 478 Y N -0.628 119.712 120.300 0.065 0.000 2.509 478 Y HA -0.023 4.526 4.550 -0.001 0.000 0.293 478 Y C 0.675 176.588 175.900 0.021 0.000 1.133 478 Y CA 0.328 58.453 58.100 0.040 0.000 1.283 478 Y CB -0.805 37.665 38.460 0.017 0.000 1.001 478 Y HN -0.060 nan 8.280 nan 0.000 0.555 479 N N 0.441 119.233 118.700 0.153 0.000 2.614 479 N HA -0.191 4.549 4.740 -0.001 0.000 0.276 479 N C -1.062 174.469 175.510 0.036 0.000 1.119 479 N CA 0.614 53.707 53.050 0.072 0.000 0.742 479 N CB -0.819 37.696 38.487 0.047 0.000 0.900 479 N HN 0.404 nan 8.380 nan 0.000 0.549 480 A N 1.276 124.097 122.820 0.001 0.000 2.479 480 A HA 0.749 5.068 4.320 -0.001 0.000 0.296 480 A C -0.227 177.194 177.584 -0.271 0.000 1.121 480 A CA -0.107 51.871 52.037 -0.099 0.000 0.743 480 A CB 1.221 20.177 19.000 -0.074 0.000 1.323 480 A HN 0.606 nan 8.150 nan 0.000 0.415 481 D N -1.416 118.759 120.400 -0.376 0.000 2.636 481 D HA 0.608 5.247 4.640 -0.001 0.000 0.236 481 D C -0.472 175.321 176.300 -0.844 0.000 1.176 481 D CA -0.290 53.298 54.000 -0.687 0.000 1.081 481 D CB 0.199 40.809 40.800 -0.318 0.000 1.213 481 D HN 0.290 nan 8.370 nan 0.000 0.633 482 F N -0.777 119.187 119.950 0.024 0.000 2.814 482 F HA 0.209 4.736 4.527 -0.001 0.000 0.326 482 F C 0.168 175.977 175.800 0.016 0.000 1.159 482 F CA -0.807 57.206 58.000 0.022 0.000 1.234 482 F CB 0.339 39.353 39.000 0.024 0.000 1.016 482 F HN 0.086 nan 8.300 nan 0.000 0.510 483 D N -0.094 120.358 120.400 0.088 0.000 2.403 483 D HA 0.179 4.818 4.640 -0.001 0.000 0.260 483 D C 1.742 178.079 176.300 0.062 0.000 1.243 483 D CA 0.710 54.747 54.000 0.063 0.000 0.918 483 D CB -0.307 40.505 40.800 0.019 0.000 0.939 483 D HN 0.454 nan 8.370 nan 0.000 0.507 484 G N -0.351 108.503 108.800 0.090 0.000 2.176 484 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.232 484 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.232 484 G C -0.163 174.776 174.900 0.064 0.000 0.986 484 G CA -0.220 44.922 45.100 0.070 0.000 0.643 484 G HN 0.408 nan 8.290 nan 0.000 0.522 485 D N 1.867 122.305 120.400 0.064 0.000 2.601 485 D HA 0.381 5.020 4.640 -0.001 0.000 0.229 485 D C 1.012 177.356 176.300 0.073 0.000 1.140 485 D CA 1.443 55.472 54.000 0.049 0.000 0.862 485 D CB 0.481 41.298 40.800 0.028 0.000 1.192 485 D HN 0.833 nan 8.370 nan 0.000 0.480 486 E N 0.648 120.872 120.200 0.040 0.000 2.445 486 E HA 0.757 5.106 4.350 -0.001 0.000 0.273 486 E C -0.734 175.846 176.600 -0.033 0.000 0.961 486 E CA -0.983 55.447 56.400 0.050 0.000 0.807 486 E CB 1.980 31.720 29.700 0.068 0.000 1.362 486 E HN 0.291 nan 8.360 nan 0.000 0.453 487 M N 0.253 119.817 119.600 -0.060 0.000 2.721 487 M HA 0.394 4.873 4.480 -0.001 0.000 0.271 487 M C -1.757 174.349 176.300 -0.324 0.000 1.259 487 M CA -0.871 54.243 55.300 -0.309 0.000 0.835 487 M CB 2.846 35.100 32.600 -0.576 0.000 1.689 487 M HN 0.501 nan 8.290 nan 0.000 0.470 488 N N 1.165 119.544 118.700 -0.536 0.000 2.265 488 N HA 0.881 5.621 4.740 -0.001 0.000 0.300 488 N C -1.921 173.304 175.510 -0.475 0.000 1.148 488 N CA -0.505 52.309 53.050 -0.393 0.000 0.772 488 N CB 2.522 40.842 38.487 -0.280 0.000 1.434 488 N HN 0.620 nan 8.380 nan 0.000 0.481 489 L N 1.172 122.144 121.223 -0.418 0.000 2.661 489 L HA 0.412 4.751 4.340 -0.001 0.000 0.263 489 L C -1.588 175.114 176.870 -0.279 0.000 0.956 489 L CA -0.537 54.150 54.840 -0.254 0.000 0.918 489 L CB 0.839 42.851 42.059 -0.079 0.000 1.280 489 L HN 0.625 nan 8.230 nan 0.000 0.416 490 H N 3.817 122.960 119.070 0.121 0.000 2.502 490 H HA 0.650 5.205 4.556 -0.001 0.000 0.338 490 H C -0.807 174.606 175.328 0.142 0.000 1.155 490 H CA -0.902 55.229 56.048 0.139 0.000 1.237 490 H CB 2.294 32.128 29.762 0.119 0.000 1.534 490 H HN 0.395 nan 8.280 nan 0.000 0.523 491 V N 3.769 123.855 119.914 0.286 0.000 2.378 491 V HA 0.189 4.308 4.120 -0.001 0.000 0.288 491 V C -2.003 174.172 176.094 0.136 0.000 1.016 491 V CA -1.806 60.614 62.300 0.200 0.000 0.840 491 V CB 1.250 33.205 31.823 0.220 0.000 0.994 491 V HN 0.639 nan 8.190 nan 0.000 0.431 492 P HA 0.073 nan 4.420 nan 0.000 0.269 492 P C -0.240 177.119 177.300 0.099 0.000 1.211 492 P CA 0.122 63.265 63.100 0.072 0.000 0.781 492 P CB 0.889 32.623 31.700 0.057 0.000 0.877 493 Q N -1.047 118.779 119.800 0.043 0.000 2.140 493 Q HA 0.189 4.528 4.340 -0.001 0.000 0.227 493 Q C 0.177 176.175 176.000 -0.002 0.000 0.798 493 Q CA 0.293 56.039 55.803 -0.095 0.000 0.987 493 Q CB 0.911 29.447 28.738 -0.337 0.000 1.161 493 Q HN 0.406 nan 8.270 nan 0.000 0.480 494 S N 0.017 115.818 115.700 0.169 0.000 2.541 494 S HA 0.260 4.730 4.470 -0.001 0.000 0.280 494 S C 0.640 175.363 174.600 0.205 0.000 1.112 494 S CA -0.355 57.932 58.200 0.145 0.000 0.925 494 S CB 1.457 64.682 63.200 0.042 0.000 1.067 494 S HN -0.062 nan 8.310 nan 0.000 0.479 495 E N 1.789 122.115 120.200 0.210 0.000 2.273 495 E HA -0.150 4.200 4.350 -0.001 0.000 0.198 495 E C 1.647 178.289 176.600 0.070 0.000 1.002 495 E CA 1.218 57.710 56.400 0.154 0.000 0.828 495 E CB 0.187 29.973 29.700 0.144 0.000 0.747 495 E HN 0.800 nan 8.360 nan 0.000 0.491 496 E N -0.765 119.471 120.200 0.059 0.000 2.201 496 E HA -0.015 4.334 4.350 -0.001 0.000 0.193 496 E C 1.849 178.465 176.600 0.027 0.000 0.957 496 E CA 0.688 57.109 56.400 0.036 0.000 0.858 496 E CB -0.647 29.073 29.700 0.034 0.000 0.816 496 E HN -0.071 nan 8.360 nan 0.000 0.475 497 T N 2.471 117.045 114.554 0.033 0.000 2.653 497 T HA -0.231 4.119 4.350 -0.001 0.000 0.268 497 T C 1.952 176.663 174.700 0.018 0.000 1.035 497 T CA 2.671 64.787 62.100 0.026 0.000 1.154 497 T CB -0.377 68.511 68.868 0.035 0.000 0.862 497 T HN 0.456 nan 8.240 nan 0.000 0.441 498 R N 1.289 121.795 120.500 0.011 0.000 2.189 498 R HA 0.257 4.597 4.340 -0.001 0.000 0.223 498 R C 2.371 178.657 176.300 -0.023 0.000 1.092 498 R CA 1.171 57.255 56.100 -0.026 0.000 0.989 498 R CB -0.351 29.887 30.300 -0.104 0.000 0.876 498 R HN 0.338 nan 8.270 nan 0.000 0.457 499 A N 1.545 124.361 122.820 -0.007 0.000 1.855 499 A HA -0.103 4.217 4.320 -0.001 0.000 0.213 499 A C 2.044 179.627 177.584 -0.002 0.000 1.195 499 A CA 1.121 53.155 52.037 -0.004 0.000 0.610 499 A CB -0.511 18.494 19.000 0.007 0.000 0.837 499 A HN 0.491 nan 8.150 nan 0.000 0.444 500 E N -0.645 119.558 120.200 0.004 0.000 2.401 500 E HA -0.148 4.202 4.350 -0.001 0.000 0.199 500 E C 1.518 178.119 176.600 0.000 0.000 1.023 500 E CA 0.447 56.849 56.400 0.003 0.000 0.859 500 E CB -0.024 29.679 29.700 0.004 0.000 0.780 500 E HN 0.380 nan 8.360 nan 0.000 0.523 501 L N 0.268 121.492 121.223 0.002 0.000 2.084 501 L HA -0.058 4.281 4.340 -0.001 0.000 0.202 501 L C 2.477 179.343 176.870 -0.007 0.000 1.074 501 L CA 2.005 56.848 54.840 0.005 0.000 0.757 501 L CB -0.865 41.202 42.059 0.013 0.000 0.918 501 L HN 0.140 nan 8.230 nan 0.000 0.444 502 S N -1.922 113.769 115.700 -0.015 0.000 2.478 502 S HA -0.054 4.415 4.470 -0.001 0.000 0.222 502 S C 1.454 176.038 174.600 -0.026 0.000 1.008 502 S CA 0.077 58.263 58.200 -0.024 0.000 0.928 502 S CB -0.124 63.060 63.200 -0.025 0.000 0.781 502 S HN 0.418 nan 8.310 nan 0.000 0.518 503 Q N 0.360 120.148 119.800 -0.021 0.000 2.403 503 Q HA 0.423 4.763 4.340 -0.001 0.000 0.203 503 Q C 1.289 177.271 176.000 -0.029 0.000 0.932 503 Q CA 0.289 56.078 55.803 -0.023 0.000 0.945 503 Q CB 0.193 28.922 28.738 -0.015 0.000 1.045 503 Q HN 0.572 nan 8.270 nan 0.000 0.511 504 L N -2.431 118.775 121.223 -0.029 0.000 2.598 504 L HA 0.112 4.451 4.340 -0.001 0.000 0.205 504 L C 1.257 178.105 176.870 -0.038 0.000 1.054 504 L CA 0.185 55.005 54.840 -0.034 0.000 0.934 504 L CB 0.296 42.339 42.059 -0.026 0.000 1.704 504 L HN -0.010 nan 8.230 nan 0.000 0.491 505 C N 1.535 120.817 119.300 -0.030 0.000 2.673 505 C HA 0.455 4.915 4.460 -0.001 0.000 0.274 505 C C 1.343 176.297 174.990 -0.060 0.000 1.276 505 C CA -0.907 58.092 59.018 -0.032 0.000 1.701 505 C CB -1.170 26.570 27.740 0.000 0.000 1.836 505 C HN 0.345 nan 8.230 nan 0.000 0.596 506 A N 0.960 123.739 122.820 -0.069 0.000 2.444 506 A HA 0.390 4.710 4.320 -0.001 0.000 0.273 506 A C 1.399 178.905 177.584 -0.131 0.000 1.136 506 A CA 0.128 52.104 52.037 -0.102 0.000 0.799 506 A CB 0.242 19.198 19.000 -0.074 0.000 1.081 506 A HN 0.256 nan 8.150 nan 0.000 0.509 507 V N 4.703 124.489 119.914 -0.213 0.000 2.280 507 V HA -0.284 3.835 4.120 -0.001 0.000 0.258 507 V C -0.159 175.856 176.094 -0.132 0.000 1.081 507 V CA 2.978 65.150 62.300 -0.212 0.000 1.070 507 V CB -1.654 29.986 31.823 -0.305 0.000 0.666 507 V HN 0.786 nan 8.190 nan 0.000 0.450 508 P HA -0.201 nan 4.420 nan 0.000 0.214 508 P C 1.872 179.143 177.300 -0.047 0.000 1.169 508 P CA 1.772 64.842 63.100 -0.051 0.000 0.908 508 P CB -0.237 31.443 31.700 -0.034 0.000 0.791 509 L N -1.387 119.803 121.223 -0.056 0.000 2.081 509 L HA -0.205 4.135 4.340 -0.001 0.000 0.212 509 L C 2.154 178.986 176.870 -0.064 0.000 1.080 509 L CA 1.507 56.315 54.840 -0.054 0.000 0.754 509 L CB -1.559 40.469 42.059 -0.052 0.000 0.893 509 L HN -0.005 nan 8.230 nan 0.000 0.433 510 Q N 0.193 119.945 119.800 -0.081 0.000 2.466 510 Q HA 0.101 4.440 4.340 -0.001 0.000 0.210 510 Q C 2.147 178.095 176.000 -0.088 0.000 0.961 510 Q CA 0.541 56.287 55.803 -0.095 0.000 0.953 510 Q CB 0.001 28.662 28.738 -0.129 0.000 1.011 510 Q HN 0.620 nan 8.270 nan 0.000 0.516 511 I N 0.283 120.817 120.570 -0.060 0.000 2.151 511 I HA -0.218 3.951 4.170 -0.001 0.000 0.243 511 I C 0.843 176.954 176.117 -0.010 0.000 1.080 511 I CA 0.999 62.288 61.300 -0.019 0.000 1.339 511 I CB 0.132 38.154 38.000 0.037 0.000 1.039 511 I HN -0.062 nan 8.210 nan 0.000 0.409 512 V N 0.030 119.922 119.914 -0.036 0.000 2.304 512 V HA 0.314 4.433 4.120 -0.001 0.000 0.269 512 V C 0.200 176.284 176.094 -0.017 0.000 1.036 512 V CA -0.811 61.472 62.300 -0.028 0.000 0.840 512 V CB 0.462 32.225 31.823 -0.100 0.000 1.036 512 V HN 0.270 nan 8.190 nan 0.000 0.466 513 S N 4.731 120.433 115.700 0.004 0.000 2.513 513 S HA 0.492 4.961 4.470 -0.001 0.000 0.276 513 S C -1.624 173.009 174.600 0.056 0.000 1.254 513 S CA -1.321 56.875 58.200 -0.007 0.000 1.053 513 S CB 1.449 64.613 63.200 -0.060 0.000 0.958 513 S HN 0.555 nan 8.310 nan 0.000 0.491 514 P HA -0.029 nan 4.420 nan 0.000 0.236 514 P C 1.136 178.609 177.300 0.289 0.000 1.172 514 P CA 0.545 63.746 63.100 0.169 0.000 0.759 514 P CB 0.053 31.857 31.700 0.174 0.000 0.843 515 Q N -0.226 119.681 119.800 0.178 0.000 1.990 515 Q HA -0.052 4.287 4.340 -0.001 0.000 0.200 515 Q C 0.870 176.949 176.000 0.131 0.000 0.980 515 Q CA 1.645 57.547 55.803 0.166 0.000 0.832 515 Q CB -0.056 28.736 28.738 0.090 0.000 0.897 515 Q HN 0.078 nan 8.270 nan 0.000 0.427 516 S N 0.851 116.598 115.700 0.078 0.000 2.754 516 S HA 0.084 4.553 4.470 -0.001 0.000 0.247 516 S C -0.475 174.209 174.600 0.140 0.000 1.031 516 S CA 0.177 58.384 58.200 0.012 0.000 1.014 516 S CB 0.257 63.510 63.200 0.089 0.000 0.918 516 S HN 0.666 nan 8.310 nan 0.000 0.519 517 N N 2.422 121.215 118.700 0.154 0.000 2.677 517 N HA -0.300 4.439 4.740 -0.001 0.000 0.249 517 N C -0.363 175.312 175.510 0.275 0.000 1.073 517 N CA 1.643 54.824 53.050 0.217 0.000 0.737 517 N CB -1.829 36.806 38.487 0.247 0.000 0.999 517 N HN 0.767 nan 8.380 nan 0.000 0.543 518 K N -3.226 117.319 120.400 0.242 0.000 2.556 518 K HA 0.588 4.907 4.320 -0.001 0.000 0.274 518 K C -3.342 173.381 176.600 0.206 0.000 0.966 518 K CA -2.020 54.447 56.287 0.298 0.000 0.865 518 K CB 2.510 35.147 32.500 0.228 0.000 1.444 518 K HN -0.144 nan 8.250 nan 0.000 0.433 519 P HA -0.001 nan 4.420 nan 0.000 0.269 519 P C 0.563 177.935 177.300 0.120 0.000 1.215 519 P CA -0.411 62.768 63.100 0.132 0.000 0.780 519 P CB 0.540 32.333 31.700 0.155 0.000 0.898 520 C N 0.295 119.642 119.300 0.079 0.000 3.104 520 C HA 0.555 5.015 4.460 -0.001 0.000 0.284 520 C C 0.436 175.462 174.990 0.060 0.000 1.326 520 C CA -0.499 58.555 59.018 0.060 0.000 1.725 520 C CB -1.366 26.374 27.740 0.000 0.000 2.156 520 C HN 0.362 nan 8.230 nan 0.000 0.638 521 M N 1.435 121.097 119.600 0.104 0.000 2.395 521 M HA 0.696 5.176 4.480 -0.001 0.000 0.307 521 M C 0.190 176.724 176.300 0.390 0.000 1.091 521 M CA 0.297 55.665 55.300 0.112 0.000 0.919 521 M CB 2.296 34.832 32.600 -0.107 0.000 1.662 521 M HN 0.429 nan 8.290 nan 0.000 0.440 522 G N 1.617 110.650 108.800 0.388 0.000 2.827 522 G HA2 0.735 4.694 3.960 -0.001 0.000 0.296 522 G HA3 0.735 4.694 3.960 -0.001 0.000 0.296 522 G C -1.739 173.432 174.900 0.452 0.000 1.362 522 G CA -0.745 44.630 45.100 0.457 0.000 0.809 522 G HN 0.494 nan 8.290 nan 0.000 0.522 523 I N 0.808 121.536 120.570 0.262 0.000 2.496 523 I HA 0.454 4.623 4.170 -0.001 0.000 0.285 523 I C 0.613 176.814 176.117 0.139 0.000 1.080 523 I CA 0.147 61.563 61.300 0.194 0.000 1.404 523 I CB 1.100 39.148 38.000 0.080 0.000 1.403 523 I HN 0.488 nan 8.210 nan 0.000 0.539 524 V N 3.449 123.446 119.914 0.137 0.000 3.202 524 V HA 0.665 4.784 4.120 -0.001 0.000 0.306 524 V C -0.258 175.899 176.094 0.105 0.000 1.283 524 V CA -0.830 61.534 62.300 0.107 0.000 1.065 524 V CB 1.547 33.429 31.823 0.098 0.000 1.079 524 V HN 0.726 nan 8.190 nan 0.000 0.448 525 Q N -0.293 119.563 119.800 0.094 0.000 1.409 525 Q HA -0.276 4.063 4.340 -0.001 0.000 0.359 525 Q C 1.014 177.081 176.000 0.111 0.000 0.955 525 Q CA 1.968 57.829 55.803 0.097 0.000 0.718 525 Q CB -1.660 27.137 28.738 0.099 0.000 4.264 525 Q HN 1.085 nan 8.270 nan 0.000 0.586 526 D N 0.252 120.720 120.400 0.113 0.000 2.177 526 D HA -0.153 4.487 4.640 -0.001 0.000 0.189 526 D C 1.862 178.236 176.300 0.123 0.000 1.002 526 D CA 2.763 56.840 54.000 0.128 0.000 0.845 526 D CB -0.739 40.120 40.800 0.099 0.000 0.960 526 D HN 0.630 nan 8.370 nan 0.000 0.447 527 T N 0.722 115.338 114.554 0.103 0.000 2.714 527 T HA -0.222 4.127 4.350 -0.001 0.000 0.268 527 T C 1.832 176.575 174.700 0.072 0.000 1.036 527 T CA 1.168 63.321 62.100 0.089 0.000 1.148 527 T CB -0.369 68.554 68.868 0.093 0.000 0.856 527 T HN 0.039 nan 8.240 nan 0.000 0.462 528 L N 0.498 121.767 121.223 0.077 0.000 2.034 528 L HA 0.134 4.474 4.340 -0.001 0.000 0.203 528 L C 2.755 179.653 176.870 0.047 0.000 1.074 528 L CA 1.292 56.165 54.840 0.055 0.000 0.748 528 L CB -1.321 40.775 42.059 0.062 0.000 0.905 528 L HN 0.411 nan 8.230 nan 0.000 0.439 529 C N 0.238 119.585 119.300 0.078 0.000 2.388 529 C HA -0.172 4.287 4.460 -0.001 0.000 0.277 529 C C 2.882 177.902 174.990 0.050 0.000 1.210 529 C CA 1.251 60.310 59.018 0.069 0.000 1.743 529 C CB -1.608 26.225 27.740 0.155 0.000 2.047 529 C HN 0.746 nan 8.230 nan 0.000 0.458 530 G N 0.143 109.013 108.800 0.117 0.000 2.574 530 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.220 530 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.220 530 G C 1.597 176.502 174.900 0.008 0.000 1.173 530 G CA 1.294 46.489 45.100 0.159 0.000 0.772 530 G HN 0.676 nan 8.290 nan 0.000 0.585 531 I N 0.049 120.600 120.570 -0.031 0.000 2.335 531 I HA -0.139 4.031 4.170 -0.001 0.000 0.251 531 I C 2.851 178.880 176.117 -0.148 0.000 1.129 531 I CA 1.290 62.519 61.300 -0.118 0.000 1.402 531 I CB -0.103 37.844 38.000 -0.088 0.000 1.069 531 I HN 0.166 nan 8.210 nan 0.000 0.424 532 R N 0.688 121.130 120.500 -0.096 0.000 2.073 532 R HA -0.177 4.162 4.340 -0.001 0.000 0.234 532 R C 2.280 178.501 176.300 -0.132 0.000 1.134 532 R CA 1.259 57.298 56.100 -0.102 0.000 0.952 532 R CB -0.031 30.228 30.300 -0.069 0.000 0.850 532 R HN 0.248 nan 8.270 nan 0.000 0.433 533 K N 0.876 121.210 120.400 -0.110 0.000 1.978 533 K HA -0.213 4.106 4.320 -0.001 0.000 0.214 533 K C 2.143 178.549 176.600 -0.324 0.000 1.049 533 K CA 1.277 57.509 56.287 -0.092 0.000 0.939 533 K CB -0.859 31.730 32.500 0.148 0.000 0.721 533 K HN 0.229 nan 8.250 nan 0.000 0.441 534 L N 1.239 122.035 121.223 -0.711 0.000 2.351 534 L HA -0.145 4.194 4.340 -0.001 0.000 0.220 534 L C 1.906 178.429 176.870 -0.579 0.000 1.127 534 L CA 1.525 55.698 54.840 -1.113 0.000 0.786 534 L CB -0.194 41.147 42.059 -1.197 0.000 0.914 534 L HN 0.142 nan 8.230 nan 0.000 0.443 535 T N -0.914 113.417 114.554 -0.372 0.000 3.054 535 T HA 0.271 4.621 4.350 -0.001 0.000 0.255 535 T C 0.663 175.236 174.700 -0.211 0.000 1.035 535 T CA -0.490 61.447 62.100 -0.272 0.000 0.941 535 T CB -0.163 68.572 68.868 -0.221 0.000 1.026 535 T HN 0.091 nan 8.240 nan 0.000 0.533 536 L N 1.562 122.669 121.223 -0.193 0.000 2.483 536 L HA 0.265 4.604 4.340 -0.001 0.000 0.275 536 L C 1.958 178.720 176.870 -0.179 0.000 1.220 536 L CA -0.168 54.588 54.840 -0.141 0.000 0.833 536 L CB 0.509 42.511 42.059 -0.095 0.000 1.102 536 L HN 0.075 nan 8.230 nan 0.000 0.490 537 R N 0.620 121.042 120.500 -0.131 0.000 2.096 537 R HA -0.153 4.186 4.340 -0.001 0.000 0.235 537 R C 1.343 177.524 176.300 -0.198 0.000 1.127 537 R CA 1.316 57.321 56.100 -0.159 0.000 0.968 537 R CB -0.127 30.143 30.300 -0.050 0.000 0.861 537 R HN 0.694 nan 8.270 nan 0.000 0.440 538 D N 0.276 120.639 120.400 -0.062 0.000 2.228 538 D HA -0.093 4.547 4.640 -0.001 0.000 0.203 538 D C 0.105 176.417 176.300 0.021 0.000 0.988 538 D CA 1.136 55.165 54.000 0.049 0.000 0.864 538 D CB -0.064 40.770 40.800 0.056 0.000 0.928 538 D HN 0.128 nan 8.370 nan 0.000 0.469 539 T N 1.255 115.698 114.554 -0.185 0.000 2.739 539 T HA 0.299 4.648 4.350 -0.001 0.000 0.298 539 T C -0.082 174.422 174.700 -0.327 0.000 0.929 539 T CA -0.170 61.850 62.100 -0.133 0.000 1.014 539 T CB -0.063 68.705 68.868 -0.166 0.000 0.914 539 T HN -0.176 nan 8.240 nan 0.000 0.509 540 F N 2.995 123.002 119.950 0.096 0.000 2.561 540 F HA 0.743 5.269 4.527 -0.001 0.000 0.321 540 F C -0.149 175.759 175.800 0.180 0.000 1.065 540 F CA -1.453 56.616 58.000 0.116 0.000 0.934 540 F CB 1.535 40.590 39.000 0.092 0.000 1.215 540 F HN 0.326 nan 8.300 nan 0.000 0.471 541 I N -1.036 119.783 120.570 0.415 0.000 2.802 541 I HA 0.559 4.728 4.170 -0.001 0.000 0.298 541 I C -0.949 175.410 176.117 0.403 0.000 1.176 541 I CA -1.131 60.386 61.300 0.362 0.000 1.025 541 I CB 1.833 40.035 38.000 0.337 0.000 1.243 541 I HN 0.657 nan 8.210 nan 0.000 0.424 542 E N 3.559 123.957 120.200 0.331 0.000 2.285 542 E HA 0.512 4.861 4.350 -0.001 0.000 0.254 542 E C 0.523 177.306 176.600 0.305 0.000 1.011 542 E CA -0.938 55.693 56.400 0.386 0.000 0.873 542 E CB 1.269 31.125 29.700 0.260 0.000 1.229 542 E HN 0.522 nan 8.360 nan 0.000 0.422 543 L N 1.861 123.299 121.223 0.360 0.000 1.980 543 L HA -0.352 3.988 4.340 -0.001 0.000 0.232 543 L C 1.967 178.872 176.870 0.060 0.000 1.092 543 L CA 3.096 58.051 54.840 0.191 0.000 0.808 543 L CB -0.957 41.257 42.059 0.257 0.000 0.908 543 L HN 0.953 nan 8.230 nan 0.000 0.442 544 D N -1.257 119.204 120.400 0.102 0.000 2.569 544 D HA -0.383 4.256 4.640 -0.001 0.000 0.191 544 D C 1.859 178.226 176.300 0.112 0.000 1.042 544 D CA 2.671 56.730 54.000 0.098 0.000 0.873 544 D CB -0.848 40.016 40.800 0.105 0.000 0.946 544 D HN 0.708 nan 8.370 nan 0.000 0.467 545 Q N -0.344 119.535 119.800 0.131 0.000 2.062 545 Q HA 0.049 4.388 4.340 -0.001 0.000 0.196 545 Q C 2.520 178.575 176.000 0.091 0.000 0.967 545 Q CA 0.940 56.859 55.803 0.192 0.000 0.832 545 Q CB 0.171 29.041 28.738 0.220 0.000 0.899 545 Q HN 0.246 nan 8.270 nan 0.000 0.442 546 V N 1.591 121.471 119.914 -0.056 0.000 3.140 546 V HA -0.222 3.898 4.120 -0.001 0.000 0.269 546 V C 1.803 177.692 176.094 -0.341 0.000 1.149 546 V CA 1.227 63.346 62.300 -0.302 0.000 1.162 546 V CB -0.727 30.671 31.823 -0.708 0.000 0.756 546 V HN 0.314 nan 8.190 nan 0.000 0.523 547 L N -0.824 120.299 121.223 -0.166 0.000 2.189 547 L HA 0.062 4.402 4.340 -0.001 0.000 0.199 547 L C 2.390 179.243 176.870 -0.028 0.000 1.074 547 L CA 0.870 55.645 54.840 -0.108 0.000 0.783 547 L CB -0.721 41.320 42.059 -0.031 0.000 0.955 547 L HN 0.224 nan 8.230 nan 0.000 0.460 548 N N 0.396 119.142 118.700 0.077 0.000 2.104 548 N HA -0.150 4.589 4.740 -0.001 0.000 0.190 548 N C 1.909 177.454 175.510 0.057 0.000 1.024 548 N CA 1.429 54.563 53.050 0.140 0.000 0.853 548 N CB -0.166 38.477 38.487 0.260 0.000 1.008 548 N HN 0.304 nan 8.380 nan 0.000 0.424 549 M N 0.662 120.269 119.600 0.013 0.000 2.065 549 M HA -0.156 4.323 4.480 -0.001 0.000 0.259 549 M C 2.247 178.459 176.300 -0.146 0.000 1.069 549 M CA 1.393 56.664 55.300 -0.048 0.000 1.110 549 M CB -0.847 31.750 32.600 -0.004 0.000 1.328 549 M HN 0.096 nan 8.290 nan 0.000 0.405 550 L N -1.276 119.728 121.223 -0.366 0.000 2.079 550 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 550 L C 2.603 179.237 176.870 -0.394 0.000 1.081 550 L CA 1.271 55.620 54.840 -0.819 0.000 0.752 550 L CB -0.876 40.207 42.059 -1.625 0.000 0.896 550 L HN 0.251 nan 8.230 nan 0.000 0.433 551 Y N -1.201 118.970 120.300 -0.214 0.000 2.509 551 Y HA -0.203 4.346 4.550 -0.001 0.000 0.293 551 Y C 1.905 177.743 175.900 -0.102 0.000 1.133 551 Y CA 0.438 58.541 58.100 0.005 0.000 1.283 551 Y CB -0.365 38.079 38.460 -0.027 0.000 1.001 551 Y HN 0.108 nan 8.280 nan 0.000 0.555 552 W N -0.596 120.548 121.300 -0.259 0.000 2.584 552 W HA 0.096 4.756 4.660 -0.001 0.000 0.264 552 W C 0.406 176.790 176.519 -0.225 0.000 1.264 552 W CA 0.701 57.839 57.345 -0.346 0.000 1.306 552 W CB 0.003 29.197 29.460 -0.445 0.000 1.110 552 W HN -0.393 nan 8.180 nan 0.000 0.606 553 V N 3.898 123.842 119.914 0.050 0.000 2.432 553 V HA 0.028 4.148 4.120 -0.001 0.000 0.271 553 V C -0.863 175.279 176.094 0.080 0.000 1.046 553 V CA -0.974 61.367 62.300 0.067 0.000 0.945 553 V CB 1.286 33.144 31.823 0.058 0.000 0.992 553 V HN -0.114 nan 8.190 nan 0.000 0.471 554 P HA -0.055 nan 4.420 nan 0.000 0.222 554 P C 0.473 177.799 177.300 0.044 0.000 1.153 554 P CA 0.916 64.007 63.100 -0.015 0.000 0.798 554 P CB 0.318 31.999 31.700 -0.032 0.000 0.796 555 D N -2.419 118.033 120.400 0.086 0.000 2.559 555 D HA 0.001 4.641 4.640 -0.001 0.000 0.234 555 D C -0.255 176.135 176.300 0.150 0.000 1.226 555 D CA -0.707 53.343 54.000 0.083 0.000 0.830 555 D CB -0.598 40.239 40.800 0.062 0.000 1.028 555 D HN 0.088 nan 8.370 nan 0.000 0.492 556 W N 3.834 125.135 121.300 0.001 0.000 2.266 556 W HA 0.160 4.819 4.660 -0.001 0.000 0.317 556 W C 0.891 177.420 176.519 0.018 0.000 1.310 556 W CA -0.959 56.393 57.345 0.013 0.000 1.207 556 W CB 0.946 30.419 29.460 0.023 0.000 1.199 556 W HN -0.069 nan 8.180 nan 0.000 0.544 557 D N 4.018 124.183 120.400 -0.392 0.000 2.323 557 D HA 0.034 4.674 4.640 -0.001 0.000 0.239 557 D C 1.223 177.041 176.300 -0.804 0.000 1.129 557 D CA 0.521 54.249 54.000 -0.452 0.000 0.865 557 D CB -0.643 40.058 40.800 -0.166 0.000 0.913 557 D HN 0.838 nan 8.370 nan 0.000 0.517 558 G N -0.055 107.633 108.800 -1.853 0.000 2.295 558 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.287 558 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.287 558 G C -0.186 174.274 174.900 -0.733 0.000 1.055 558 G CA 0.268 44.363 45.100 -1.676 0.000 0.922 558 G HN 0.394 nan 8.290 nan 0.000 0.503 559 V N 1.585 121.321 119.914 -0.296 0.000 2.419 559 V HA 0.374 4.493 4.120 -0.001 0.000 0.287 559 V C 0.765 177.202 176.094 0.571 0.000 1.017 559 V CA -0.950 61.467 62.300 0.195 0.000 0.844 559 V CB 1.405 33.296 31.823 0.115 0.000 1.011 559 V HN 0.392 nan 8.190 nan 0.000 0.429 560 I N 8.707 129.561 120.570 0.472 0.000 2.662 560 I HA 0.127 4.297 4.170 -0.001 0.000 0.285 560 I C -1.590 174.693 176.117 0.276 0.000 1.161 560 I CA -0.838 60.648 61.300 0.309 0.000 1.415 560 I CB 0.556 38.679 38.000 0.206 0.000 1.385 560 I HN 0.424 nan 8.210 nan 0.000 0.552 561 P HA 0.153 nan 4.420 nan 0.000 0.282 561 P C -0.548 177.008 177.300 0.426 0.000 1.249 561 P CA -0.460 62.807 63.100 0.277 0.000 0.806 561 P CB 0.644 32.475 31.700 0.218 0.000 0.984 562 T N 4.402 119.127 114.554 0.284 0.000 2.888 562 T HA 0.216 4.566 4.350 -0.001 0.000 0.301 562 T C -1.956 172.825 174.700 0.136 0.000 1.001 562 T CA -0.406 61.819 62.100 0.210 0.000 1.147 562 T CB -0.502 68.429 68.868 0.105 0.000 0.931 562 T HN 0.392 nan 8.240 nan 0.000 0.541 563 P HA 0.346 nan 4.420 nan 0.000 0.276 563 P C 0.438 177.557 177.300 -0.302 0.000 1.261 563 P CA -0.554 62.134 63.100 -0.687 0.000 0.800 563 P CB 0.505 31.322 31.700 -1.471 0.000 1.066 564 A N 1.021 123.709 122.820 -0.221 0.000 1.897 564 A HA 0.045 4.364 4.320 -0.001 0.000 0.215 564 A C 1.088 178.613 177.584 -0.098 0.000 1.181 564 A CA 1.140 53.145 52.037 -0.054 0.000 0.620 564 A CB -0.748 18.310 19.000 0.097 0.000 0.821 564 A HN 0.489 nan 8.150 nan 0.000 0.443 565 I N -0.107 120.353 120.570 -0.183 0.000 2.412 565 I HA 0.317 4.487 4.170 -0.001 0.000 0.296 565 I C 0.064 176.027 176.117 -0.257 0.000 0.987 565 I CA -0.190 60.991 61.300 -0.199 0.000 1.180 565 I CB 1.788 39.645 38.000 -0.239 0.000 1.340 565 I HN 0.232 nan 8.210 nan 0.000 0.455 566 I N 4.194 124.655 120.570 -0.182 0.000 4.557 566 I HA 0.064 4.233 4.170 -0.001 0.000 0.333 566 I C 1.031 177.079 176.117 -0.115 0.000 1.332 566 I CA -0.331 60.870 61.300 -0.164 0.000 1.240 566 I CB -0.138 37.787 38.000 -0.125 0.000 1.312 566 I HN 0.506 nan 8.210 nan 0.000 0.457 567 K N 3.415 123.751 120.400 -0.107 0.000 2.244 567 K HA 0.203 4.523 4.320 -0.001 0.000 0.242 567 K C -2.049 174.501 176.600 -0.084 0.000 1.082 567 K CA -0.995 55.242 56.287 -0.084 0.000 0.841 567 K CB -0.981 31.470 32.500 -0.081 0.000 1.129 567 K HN -0.197 nan 8.250 nan 0.000 0.516 568 P HA -0.122 nan 4.420 nan 0.000 0.257 568 P C -0.873 176.385 177.300 -0.070 0.000 1.162 568 P CA 0.919 63.986 63.100 -0.056 0.000 0.762 568 P CB 0.095 31.767 31.700 -0.048 0.000 0.753 569 K N 2.721 123.088 120.400 -0.056 0.000 6.958 569 K HA -0.122 4.198 4.320 -0.001 0.000 0.778 569 K C -2.679 173.860 176.600 -0.101 0.000 2.415 569 K CA -0.271 55.986 56.287 -0.051 0.000 1.749 569 K CB -0.374 32.102 32.500 -0.041 0.000 2.102 569 K HN 0.294 nan 8.250 nan 0.000 0.285 570 P HA 0.168 nan 4.420 nan 0.000 0.262 570 P C -0.213 176.892 177.300 -0.326 0.000 1.620 570 P CA -0.555 62.382 63.100 -0.271 0.000 1.089 570 P CB 0.348 31.860 31.700 -0.314 0.000 1.601 571 L N 2.638 123.719 121.223 -0.237 0.000 2.417 571 L HA 0.261 4.601 4.340 -0.001 0.000 0.268 571 L C 0.588 177.411 176.870 -0.078 0.000 1.158 571 L CA 0.272 55.082 54.840 -0.049 0.000 0.819 571 L CB 0.266 42.237 42.059 -0.147 0.000 1.112 571 L HN 0.327 nan 8.230 nan 0.000 0.458 572 W N 1.943 123.369 121.300 0.210 0.000 2.478 572 W HA 0.224 4.883 4.660 -0.001 0.000 0.318 572 W C 0.508 177.167 176.519 0.234 0.000 1.062 572 W CA -0.484 56.975 57.345 0.190 0.000 1.210 572 W CB 2.002 31.522 29.460 0.101 0.000 1.325 572 W HN 0.491 nan 8.180 nan 0.000 0.496 573 S N 1.735 117.623 115.700 0.314 0.000 2.576 573 S HA 0.263 4.733 4.470 -0.001 0.000 0.276 573 S C 1.334 175.873 174.600 -0.101 0.000 1.339 573 S CA 0.565 58.715 58.200 -0.083 0.000 1.039 573 S CB 1.147 64.249 63.200 -0.163 0.000 0.902 573 S HN 0.639 nan 8.310 nan 0.000 0.516 574 G N 3.892 112.529 108.800 -0.272 0.000 2.679 574 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 574 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 574 G C 1.278 176.052 174.900 -0.211 0.000 1.267 574 G CA 1.331 46.267 45.100 -0.273 0.000 0.799 574 G HN 0.855 nan 8.290 nan 0.000 0.606 575 K N -0.030 120.244 120.400 -0.210 0.000 2.044 575 K HA -0.329 3.990 4.320 -0.001 0.000 0.224 575 K C 2.607 179.149 176.600 -0.097 0.000 1.056 575 K CA 2.075 58.270 56.287 -0.154 0.000 0.962 575 K CB -0.541 31.880 32.500 -0.132 0.000 0.730 575 K HN 0.400 nan 8.250 nan 0.000 0.453 576 Q N 0.060 119.833 119.800 -0.044 0.000 2.124 576 Q HA -0.255 4.084 4.340 -0.001 0.000 0.215 576 Q C 2.257 178.260 176.000 0.004 0.000 1.015 576 Q CA 2.514 58.332 55.803 0.024 0.000 0.890 576 Q CB -0.500 28.317 28.738 0.132 0.000 0.966 576 Q HN 0.629 nan 8.270 nan 0.000 0.412 577 I N -2.552 118.001 120.570 -0.028 0.000 3.226 577 I HA -0.032 4.137 4.170 -0.001 0.000 0.277 577 I C 2.055 178.105 176.117 -0.111 0.000 1.243 577 I CA 0.350 61.600 61.300 -0.083 0.000 1.459 577 I CB -0.131 37.799 38.000 -0.118 0.000 1.093 577 I HN 0.071 nan 8.210 nan 0.000 0.453 578 L N 1.043 122.197 121.223 -0.115 0.000 2.109 578 L HA 0.015 4.355 4.340 -0.001 0.000 0.207 578 L C 2.246 179.062 176.870 -0.089 0.000 1.086 578 L CA 1.607 56.377 54.840 -0.117 0.000 0.760 578 L CB -0.567 41.403 42.059 -0.148 0.000 0.910 578 L HN 0.165 nan 8.230 nan 0.000 0.437 579 S N -0.889 114.766 115.700 -0.075 0.000 2.571 579 S HA -0.094 4.376 4.470 -0.001 0.000 0.245 579 S C 1.709 176.289 174.600 -0.033 0.000 0.976 579 S CA 0.988 59.156 58.200 -0.054 0.000 0.954 579 S CB -0.463 62.713 63.200 -0.040 0.000 0.756 579 S HN 0.374 nan 8.310 nan 0.000 0.535 580 V N 0.750 120.636 119.914 -0.047 0.000 2.951 580 V HA 0.025 4.145 4.120 -0.001 0.000 0.255 580 V C 2.358 178.445 176.094 -0.011 0.000 1.088 580 V CA 1.261 63.541 62.300 -0.034 0.000 1.109 580 V CB -0.662 31.089 31.823 -0.120 0.000 0.724 580 V HN 0.533 nan 8.190 nan 0.000 0.471 581 A N -0.091 122.711 122.820 -0.030 0.000 1.970 581 A HA 0.130 4.450 4.320 -0.001 0.000 0.216 581 A C 1.179 178.756 177.584 -0.012 0.000 1.170 581 A CA 0.440 52.468 52.037 -0.015 0.000 0.645 581 A CB -0.321 18.661 19.000 -0.031 0.000 0.816 581 A HN 0.470 nan 8.150 nan 0.000 0.447 582 I N 2.009 122.563 120.570 -0.027 0.000 2.581 582 I HA 0.089 4.258 4.170 -0.001 0.000 0.285 582 I C -2.060 174.055 176.117 -0.005 0.000 1.129 582 I CA -1.595 59.688 61.300 -0.028 0.000 1.397 582 I CB 0.805 38.777 38.000 -0.047 0.000 1.399 582 I HN 0.157 nan 8.210 nan 0.000 0.537 583 P HA 0.178 nan 4.420 nan 0.000 0.286 583 P C -1.221 176.092 177.300 0.021 0.000 1.293 583 P CA -0.571 62.541 63.100 0.021 0.000 0.770 583 P CB 0.476 32.191 31.700 0.025 0.000 1.206 584 N N -1.238 117.482 118.700 0.033 0.000 2.473 584 N HA 0.484 5.224 4.740 -0.001 0.000 0.291 584 N C 0.675 176.226 175.510 0.068 0.000 1.083 584 N CA 0.087 53.159 53.050 0.037 0.000 0.951 584 N CB 0.209 38.717 38.487 0.034 0.000 1.164 584 N HN 0.724 nan 8.380 nan 0.000 0.480 585 G N 0.194 109.051 108.800 0.095 0.000 2.147 585 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 585 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 585 G C -0.441 174.647 174.900 0.314 0.000 1.005 585 G CA -0.254 44.982 45.100 0.226 0.000 0.713 585 G HN 0.449 nan 8.290 nan 0.000 0.515 586 I N 2.139 122.796 120.570 0.145 0.000 2.297 586 I HA 0.363 4.533 4.170 -0.001 0.000 0.291 586 I C 0.507 176.657 176.117 0.056 0.000 1.033 586 I CA -0.649 60.727 61.300 0.128 0.000 1.253 586 I CB 0.684 38.706 38.000 0.037 0.000 1.396 586 I HN 0.180 nan 8.210 nan 0.000 0.476 587 H N 7.220 126.305 119.070 0.027 0.000 2.466 587 H HA 0.626 5.182 4.556 -0.001 0.000 0.338 587 H C -0.814 174.518 175.328 0.007 0.000 1.091 587 H CA -0.818 55.243 56.048 0.022 0.000 1.207 587 H CB 2.430 32.219 29.762 0.045 0.000 1.466 587 H HN 0.367 nan 8.280 nan 0.000 0.493 588 L N 2.680 123.935 121.223 0.053 0.000 2.482 588 L HA 0.296 4.636 4.340 -0.001 0.000 0.263 588 L C -1.268 175.572 176.870 -0.051 0.000 0.957 588 L CA -0.428 54.413 54.840 0.003 0.000 0.836 588 L CB 2.892 44.926 42.059 -0.041 0.000 1.324 588 L HN 0.599 nan 8.230 nan 0.000 0.406 589 Q N 4.003 123.775 119.800 -0.047 0.000 2.289 589 Q HA 0.419 4.758 4.340 -0.001 0.000 0.270 589 Q C -0.950 174.985 176.000 -0.109 0.000 1.038 589 Q CA -0.407 55.331 55.803 -0.109 0.000 0.812 589 Q CB 2.749 31.476 28.738 -0.019 0.000 1.300 589 Q HN 0.763 nan 8.270 nan 0.000 0.427 590 R N 2.789 123.151 120.500 -0.230 0.000 2.580 590 R HA 0.374 4.714 4.340 -0.001 0.000 0.161 590 R C -0.869 175.447 176.300 0.026 0.000 1.659 590 R CA 0.390 56.428 56.100 -0.104 0.000 1.325 590 R CB 0.706 30.940 30.300 -0.109 0.000 1.254 590 R HN 0.716 nan 8.270 nan 0.000 0.474 591 F N 1.581 121.546 119.950 0.025 0.000 2.153 591 F HA -0.215 4.311 4.527 -0.001 0.000 0.517 591 F C -0.013 175.797 175.800 0.015 0.000 1.285 591 F CA 0.091 58.118 58.000 0.046 0.000 1.659 591 F CB -0.445 38.581 39.000 0.045 0.000 2.655 591 F HN 0.346 nan 8.300 nan 0.000 0.724 592 D N 1.598 122.114 120.400 0.194 0.000 2.583 592 D HA 0.138 4.778 4.640 -0.001 0.000 0.256 592 D C 1.349 177.712 176.300 0.104 0.000 1.215 592 D CA 0.123 54.187 54.000 0.106 0.000 1.140 592 D CB -0.008 40.828 40.800 0.061 0.000 1.111 592 D HN 0.553 nan 8.370 nan 0.000 0.437 593 E N 0.468 120.709 120.200 0.068 0.000 2.546 593 E HA 0.148 4.497 4.350 -0.001 0.000 0.307 593 E C 0.557 177.187 176.600 0.050 0.000 0.688 593 E CA 0.406 56.831 56.400 0.042 0.000 1.855 593 E CB -0.852 28.860 29.700 0.020 0.000 1.494 593 E HN 0.301 nan 8.360 nan 0.000 0.550 594 G N 0.698 109.522 108.800 0.040 0.000 2.741 594 G HA2 0.343 4.302 3.960 -0.001 0.000 0.301 594 G HA3 0.343 4.302 3.960 -0.001 0.000 0.301 594 G C -0.900 174.041 174.900 0.069 0.000 0.834 594 G CA 0.032 45.153 45.100 0.034 0.000 1.683 594 G HN 0.149 nan 8.290 nan 0.000 0.506 595 T N 0.876 115.498 114.554 0.113 0.000 2.848 595 T HA 0.542 4.891 4.350 -0.001 0.000 0.285 595 T C 0.448 175.279 174.700 0.218 0.000 0.995 595 T CA -0.554 61.676 62.100 0.216 0.000 0.970 595 T CB 1.780 70.887 68.868 0.399 0.000 0.976 595 T HN 0.360 nan 8.240 nan 0.000 0.441 596 T N 0.730 115.378 114.554 0.156 0.000 3.672 596 T HA 0.338 4.687 4.350 -0.001 0.000 0.296 596 T C 0.904 175.617 174.700 0.022 0.000 0.979 596 T CA -0.557 61.589 62.100 0.077 0.000 1.013 596 T CB -0.692 68.179 68.868 0.006 0.000 1.184 596 T HN 0.579 nan 8.240 nan 0.000 0.477 597 L N -0.658 120.590 121.223 0.042 0.000 4.914 597 L HA -0.214 4.126 4.340 -0.001 0.000 0.443 597 L C 1.145 177.759 176.870 -0.426 0.000 1.095 597 L CA 0.975 55.698 54.840 -0.195 0.000 0.975 597 L CB -1.103 40.942 42.059 -0.023 0.000 1.914 597 L HN 0.471 nan 8.230 nan 0.000 0.837 598 L N -1.606 119.418 121.223 -0.331 0.000 2.993 598 L HA 0.253 4.593 4.340 -0.001 0.000 0.264 598 L C 1.024 177.755 176.870 -0.232 0.000 1.154 598 L CA 0.683 55.361 54.840 -0.269 0.000 0.972 598 L CB 0.812 42.792 42.059 -0.132 0.000 1.373 598 L HN 0.262 nan 8.230 nan 0.000 0.564 599 S N 1.653 117.231 115.700 -0.204 0.000 3.310 599 S HA -0.093 4.377 4.470 -0.001 0.000 0.381 599 S C -1.269 173.325 174.600 -0.009 0.000 0.908 599 S CA 0.152 58.327 58.200 -0.042 0.000 1.333 599 S CB -0.255 62.986 63.200 0.069 0.000 0.931 599 S HN 0.399 nan 8.310 nan 0.000 0.570 600 P HA -0.132 nan 4.420 nan 0.000 0.215 600 P C 1.122 178.432 177.300 0.017 0.000 1.153 600 P CA 1.168 64.269 63.100 0.002 0.000 0.853 600 P CB 0.094 31.794 31.700 0.000 0.000 0.788 601 K N -0.937 119.481 120.400 0.030 0.000 2.432 601 K HA -0.064 4.256 4.320 -0.001 0.000 0.196 601 K C 0.189 176.813 176.600 0.040 0.000 1.038 601 K CA 0.398 56.705 56.287 0.033 0.000 0.986 601 K CB -0.596 31.927 32.500 0.037 0.000 0.782 601 K HN 0.001 nan 8.250 nan 0.000 0.485 602 D N 1.862 122.298 120.400 0.060 0.000 2.697 602 D HA -0.138 4.501 4.640 -0.001 0.000 0.238 602 D C -1.093 175.253 176.300 0.076 0.000 1.152 602 D CA 0.641 54.691 54.000 0.083 0.000 0.666 602 D CB -1.145 39.681 40.800 0.043 0.000 1.037 602 D HN 0.496 nan 8.370 nan 0.000 0.423 603 N N -0.273 118.493 118.700 0.109 0.000 2.571 603 N HA 0.712 5.452 4.740 -0.001 0.000 0.273 603 N C 0.628 176.205 175.510 0.112 0.000 1.340 603 N CA 0.244 53.336 53.050 0.070 0.000 0.789 603 N CB 1.328 39.846 38.487 0.052 0.000 1.514 603 N HN 0.580 nan 8.380 nan 0.000 0.499 604 G N -0.877 107.938 108.800 0.024 0.000 2.627 604 G HA2 0.296 4.255 3.960 -0.001 0.000 0.214 604 G HA3 0.296 4.255 3.960 -0.001 0.000 0.214 604 G C -1.196 173.540 174.900 -0.273 0.000 1.331 604 G CA 0.036 45.105 45.100 -0.052 0.000 0.891 604 G HN 1.082 nan 8.290 nan 0.000 0.539 605 M N -1.203 118.100 119.600 -0.496 0.000 2.373 605 M HA 0.772 5.252 4.480 -0.001 0.000 0.290 605 M C -2.240 173.633 176.300 -0.712 0.000 1.143 605 M CA -0.649 54.284 55.300 -0.612 0.000 0.949 605 M CB 1.846 34.248 32.600 -0.331 0.000 1.756 605 M HN 1.704 nan 8.290 nan 0.000 0.494 606 L N 6.076 126.815 121.223 -0.807 0.000 2.528 606 L HA 0.710 5.050 4.340 -0.001 0.000 0.267 606 L C -2.017 174.676 176.870 -0.296 0.000 0.961 606 L CA -0.137 54.416 54.840 -0.478 0.000 0.866 606 L CB 1.683 43.537 42.059 -0.342 0.000 1.248 606 L HN 0.779 nan 8.230 nan 0.000 0.404 607 I N 6.162 126.618 120.570 -0.190 0.000 2.362 607 I HA 0.364 4.533 4.170 -0.001 0.000 0.289 607 I C -0.165 175.865 176.117 -0.146 0.000 0.994 607 I CA -0.562 60.648 61.300 -0.149 0.000 1.158 607 I CB 1.726 39.647 38.000 -0.132 0.000 1.315 607 I HN 0.427 nan 8.210 nan 0.000 0.451 608 I N 5.289 125.771 120.570 -0.146 0.000 2.541 608 I HA 0.189 4.359 4.170 -0.001 0.000 0.295 608 I C -0.054 175.879 176.117 -0.306 0.000 1.137 608 I CA 0.134 61.319 61.300 -0.191 0.000 1.256 608 I CB -1.451 36.510 38.000 -0.065 0.000 1.648 608 I HN 0.744 nan 8.210 nan 0.000 0.570 609 D N 2.342 122.450 120.400 -0.487 0.000 10.788 609 D HA -0.149 4.490 4.640 -0.001 0.000 0.346 609 D C 1.376 177.587 176.300 -0.148 0.000 3.133 609 D CA 1.171 54.963 54.000 -0.345 0.000 2.671 609 D CB -0.108 40.529 40.800 -0.272 0.000 1.209 609 D HN 0.609 nan 8.370 nan 0.000 0.941 610 G N 1.790 110.542 108.800 -0.081 0.000 3.417 610 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.234 610 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.234 610 G C 0.325 175.202 174.900 -0.039 0.000 1.797 610 G CA 1.808 46.886 45.100 -0.037 0.000 1.928 610 G HN 0.766 nan 8.290 nan 0.000 0.804 611 Q N 0.309 120.081 119.800 -0.048 0.000 2.306 611 Q HA 0.620 4.959 4.340 -0.001 0.000 0.265 611 Q C 0.193 176.154 176.000 -0.064 0.000 1.022 611 Q CA -0.869 54.910 55.803 -0.040 0.000 0.853 611 Q CB 2.006 30.737 28.738 -0.012 0.000 1.327 611 Q HN 0.786 nan 8.270 nan 0.000 0.449 612 I N -0.988 119.540 120.570 -0.070 0.000 2.440 612 I HA 0.236 4.406 4.170 -0.001 0.000 0.294 612 I C 0.327 176.409 176.117 -0.059 0.000 0.995 612 I CA -0.058 61.184 61.300 -0.097 0.000 1.306 612 I CB 0.644 38.564 38.000 -0.133 0.000 1.407 612 I HN 0.446 nan 8.210 nan 0.000 0.501 613 I N 4.601 125.139 120.570 -0.052 0.000 2.927 613 I HA 0.312 4.481 4.170 -0.001 0.000 0.268 613 I C 0.436 176.673 176.117 0.200 0.000 1.153 613 I CA 0.927 62.275 61.300 0.080 0.000 1.459 613 I CB -1.215 36.883 38.000 0.164 0.000 1.149 613 I HN 0.851 nan 8.210 nan 0.000 0.443 614 F N -0.854 119.049 119.950 -0.079 0.000 2.978 614 F HA 0.640 5.166 4.527 -0.001 0.000 0.324 614 F C -0.229 175.516 175.800 -0.093 0.000 1.157 614 F CA -0.497 57.455 58.000 -0.079 0.000 0.879 614 F CB 0.431 39.390 39.000 -0.067 0.000 1.364 614 F HN 0.138 nan 8.300 nan 0.000 0.465 615 G N 0.125 108.896 108.800 -0.049 0.000 2.655 615 G HA2 0.327 4.286 3.960 -0.001 0.000 0.680 615 G HA3 0.327 4.286 3.960 -0.001 0.000 0.680 615 G C -2.297 172.529 174.900 -0.124 0.000 1.302 615 G CA -0.508 44.487 45.100 -0.175 0.000 0.872 615 G HN 1.493 nan 8.290 nan 0.000 0.540 616 V N 0.095 119.940 119.914 -0.114 0.000 2.487 616 V HA 0.535 4.654 4.120 -0.001 0.000 0.298 616 V C 0.639 176.662 176.094 -0.118 0.000 1.028 616 V CA -0.722 61.514 62.300 -0.107 0.000 0.860 616 V CB 1.694 33.473 31.823 -0.073 0.000 0.991 616 V HN 0.971 nan 8.190 nan 0.000 0.427 617 V N 6.082 125.919 119.914 -0.129 0.000 2.439 617 V HA 0.445 4.564 4.120 -0.001 0.000 0.271 617 V C 0.174 176.213 176.094 -0.091 0.000 1.040 617 V CA 0.149 62.377 62.300 -0.120 0.000 1.002 617 V CB 0.621 32.365 31.823 -0.131 0.000 1.000 617 V HN 1.127 nan 8.190 nan 0.000 0.477 618 E N 3.215 123.372 120.200 -0.072 0.000 2.368 618 E HA 0.355 4.705 4.350 -0.001 0.000 0.257 618 E C 0.788 177.370 176.600 -0.031 0.000 1.022 618 E CA -0.870 55.502 56.400 -0.046 0.000 0.886 618 E CB 0.322 30.002 29.700 -0.034 0.000 1.740 618 E HN 0.042 nan 8.360 nan 0.000 0.456 619 K N 0.196 120.591 120.400 -0.008 0.000 2.148 619 K HA -0.296 4.024 4.320 -0.001 0.000 0.213 619 K C 1.406 178.007 176.600 0.001 0.000 1.050 619 K CA 2.216 58.507 56.287 0.008 0.000 0.932 619 K CB -0.216 32.297 32.500 0.022 0.000 0.717 619 K HN 0.422 nan 8.250 nan 0.000 0.462 620 K N -0.713 119.681 120.400 -0.010 0.000 2.280 620 K HA -0.084 4.236 4.320 -0.001 0.000 0.202 620 K C 1.730 178.312 176.600 -0.029 0.000 1.047 620 K CA 1.525 57.803 56.287 -0.016 0.000 0.942 620 K CB 0.118 32.606 32.500 -0.021 0.000 0.739 620 K HN 0.306 nan 8.250 nan 0.000 0.457 621 T N -0.317 114.211 114.554 -0.043 0.000 3.391 621 T HA -0.011 4.338 4.350 -0.001 0.000 0.233 621 T C 1.521 176.189 174.700 -0.053 0.000 0.960 621 T CA -0.060 62.005 62.100 -0.058 0.000 1.342 621 T CB -0.197 68.618 68.868 -0.089 0.000 1.124 621 T HN -0.110 nan 8.240 nan 0.000 0.396 622 V N 1.895 121.771 119.914 -0.063 0.000 3.444 622 V HA 0.302 4.421 4.120 -0.001 0.000 0.271 622 V C 1.010 177.079 176.094 -0.042 0.000 1.188 622 V CA 0.655 62.908 62.300 -0.078 0.000 1.168 622 V CB -0.961 30.811 31.823 -0.085 0.000 0.810 622 V HN 0.507 nan 8.190 nan 0.000 0.500 623 G N -0.605 108.192 108.800 -0.005 0.000 2.462 623 G HA2 0.358 4.317 3.960 -0.001 0.000 0.319 623 G HA3 0.358 4.317 3.960 -0.001 0.000 0.319 623 G C 0.502 175.437 174.900 0.058 0.000 1.171 623 G CA 0.231 45.354 45.100 0.039 0.000 0.920 623 G HN 0.455 nan 8.290 nan 0.000 0.499 624 S N 0.088 115.848 115.700 0.099 0.000 3.397 624 S HA 0.135 4.604 4.470 -0.001 0.000 0.242 624 S C 1.166 175.826 174.600 0.099 0.000 1.173 624 S CA 0.077 58.348 58.200 0.119 0.000 1.225 624 S CB -1.173 62.111 63.200 0.139 0.000 1.188 624 S HN 0.959 nan 8.310 nan 0.000 0.459 625 S N 1.013 116.756 115.700 0.072 0.000 2.640 625 S HA 0.224 4.693 4.470 -0.001 0.000 0.262 625 S C 1.250 175.881 174.600 0.052 0.000 1.232 625 S CA -0.512 57.720 58.200 0.053 0.000 0.988 625 S CB 0.333 63.547 63.200 0.022 0.000 1.034 625 S HN 0.429 nan 8.310 nan 0.000 0.569 626 N N 0.756 119.464 118.700 0.013 0.000 2.080 626 N HA -0.042 4.698 4.740 -0.001 0.000 0.189 626 N C 1.054 176.447 175.510 -0.195 0.000 1.036 626 N CA 1.598 54.622 53.050 -0.043 0.000 0.846 626 N CB -0.698 37.761 38.487 -0.047 0.000 1.015 626 N HN 0.855 nan 8.380 nan 0.000 0.423 627 G N -0.350 108.366 108.800 -0.140 0.000 4.543 627 G HA2 0.465 4.424 3.960 -0.001 0.000 0.286 627 G HA3 0.465 4.424 3.960 -0.001 0.000 0.286 627 G C 0.197 175.072 174.900 -0.042 0.000 1.112 627 G CA 0.027 45.029 45.100 -0.163 0.000 0.870 627 G HN 0.439 nan 8.290 nan 0.000 0.540 628 G N -0.560 108.241 108.800 0.001 0.000 2.543 628 G HA2 0.399 4.358 3.960 -0.001 0.000 0.267 628 G HA3 0.399 4.358 3.960 -0.001 0.000 0.267 628 G C 1.056 175.971 174.900 0.025 0.000 1.406 628 G CA -0.644 44.457 45.100 0.001 0.000 1.048 628 G HN 0.134 nan 8.290 nan 0.000 0.548 629 L N -0.724 120.488 121.223 -0.018 0.000 1.970 629 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 629 L C 2.947 179.803 176.870 -0.023 0.000 1.071 629 L CA 1.587 56.406 54.840 -0.035 0.000 0.751 629 L CB -0.429 41.578 42.059 -0.087 0.000 0.889 629 L HN 0.464 nan 8.230 nan 0.000 0.432 630 I N -0.837 119.705 120.570 -0.048 0.000 2.127 630 I HA -0.351 3.819 4.170 -0.001 0.000 0.241 630 I C 2.486 178.626 176.117 0.038 0.000 1.075 630 I CA 1.787 63.054 61.300 -0.054 0.000 1.334 630 I CB -1.049 36.913 38.000 -0.063 0.000 1.040 630 I HN 0.292 nan 8.210 nan 0.000 0.405 631 H N 0.513 119.588 119.070 0.007 0.000 2.353 631 H HA -0.152 4.404 4.556 -0.001 0.000 0.298 631 H C 2.112 177.451 175.328 0.017 0.000 1.103 631 H CA 2.216 58.278 56.048 0.023 0.000 1.293 631 H CB 0.037 29.819 29.762 0.033 0.000 1.372 631 H HN 0.109 nan 8.280 nan 0.000 0.501 632 V N -0.499 119.518 119.914 0.171 0.000 2.453 632 V HA -0.179 3.940 4.120 -0.001 0.000 0.247 632 V C 2.482 178.603 176.094 0.045 0.000 1.048 632 V CA 1.298 63.674 62.300 0.126 0.000 1.049 632 V CB -0.251 31.639 31.823 0.112 0.000 0.672 632 V HN 0.335 nan 8.190 nan 0.000 0.457 633 V N 0.390 120.313 119.914 0.016 0.000 2.427 633 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 633 V C 2.555 178.647 176.094 -0.004 0.000 1.051 633 V CA 2.515 64.818 62.300 0.004 0.000 1.048 633 V CB -1.110 30.701 31.823 -0.019 0.000 0.666 633 V HN 0.636 nan 8.190 nan 0.000 0.456 634 T N -0.507 114.028 114.554 -0.032 0.000 2.777 634 T HA -0.126 4.223 4.350 -0.001 0.000 0.266 634 T C 2.123 176.783 174.700 -0.067 0.000 1.040 634 T CA 0.988 63.058 62.100 -0.049 0.000 1.141 634 T CB -0.198 68.620 68.868 -0.082 0.000 0.868 634 T HN 0.270 nan 8.240 nan 0.000 0.444 635 R N 0.704 121.146 120.500 -0.096 0.000 2.073 635 R HA 0.060 4.399 4.340 -0.001 0.000 0.229 635 R C 2.460 178.761 176.300 0.002 0.000 1.120 635 R CA 1.085 57.145 56.100 -0.066 0.000 0.967 635 R CB -0.344 29.916 30.300 -0.066 0.000 0.862 635 R HN 0.405 nan 8.270 nan 0.000 0.436 636 E N 0.724 120.937 120.200 0.023 0.000 2.006 636 E HA -0.112 4.237 4.350 -0.001 0.000 0.192 636 E C 1.775 178.407 176.600 0.052 0.000 0.993 636 E CA 1.411 57.844 56.400 0.055 0.000 0.808 636 E CB 0.210 29.954 29.700 0.073 0.000 0.764 636 E HN -0.038 nan 8.360 nan 0.000 0.449 637 K N -0.984 119.440 120.400 0.040 0.000 2.128 637 K HA 0.274 4.593 4.320 -0.001 0.000 0.202 637 K C 0.726 177.344 176.600 0.030 0.000 1.050 637 K CA 1.004 57.315 56.287 0.040 0.000 0.966 637 K CB 0.479 33.001 32.500 0.037 0.000 0.759 637 K HN 0.255 nan 8.250 nan 0.000 0.454 638 G N 0.606 109.416 108.800 0.017 0.000 2.339 638 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.381 638 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.381 638 G C -2.593 172.312 174.900 0.007 0.000 1.400 638 G CA -0.531 44.575 45.100 0.010 0.000 1.002 638 G HN -0.217 nan 8.290 nan 0.000 0.633 639 P HA -0.194 nan 4.420 nan 0.000 0.210 639 P C 1.632 178.945 177.300 0.021 0.000 1.189 639 P CA 1.803 64.906 63.100 0.005 0.000 0.920 639 P CB -0.058 31.636 31.700 -0.010 0.000 0.782 640 Q N 0.128 119.937 119.800 0.015 0.000 2.242 640 Q HA -0.150 4.189 4.340 -0.001 0.000 0.211 640 Q C 1.946 177.967 176.000 0.034 0.000 0.992 640 Q CA 2.187 58.002 55.803 0.020 0.000 0.889 640 Q CB -0.425 28.321 28.738 0.013 0.000 0.913 640 Q HN 0.089 nan 8.270 nan 0.000 0.422 641 V N -0.296 119.638 119.914 0.034 0.000 2.446 641 V HA -0.196 3.923 4.120 -0.001 0.000 0.244 641 V C 2.558 178.681 176.094 0.049 0.000 1.039 641 V CA 1.394 63.717 62.300 0.038 0.000 1.045 641 V CB -0.901 30.941 31.823 0.031 0.000 0.681 641 V HN 0.538 nan 8.190 nan 0.000 0.459 642 C N 1.085 120.417 119.300 0.053 0.000 2.440 642 C HA 0.041 4.500 4.460 -0.001 0.000 0.278 642 C C 3.037 178.124 174.990 0.161 0.000 1.295 642 C CA 0.787 59.849 59.018 0.072 0.000 1.738 642 C CB -1.115 26.663 27.740 0.063 0.000 1.987 642 C HN 0.545 nan 8.230 nan 0.000 0.492 643 A N -0.030 122.881 122.820 0.151 0.000 2.015 643 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 643 A C 2.300 179.979 177.584 0.159 0.000 1.163 643 A CA 1.348 53.490 52.037 0.175 0.000 0.646 643 A CB -0.519 18.529 19.000 0.080 0.000 0.806 643 A HN 0.735 nan 8.150 nan 0.000 0.448 644 K N -0.803 119.664 120.400 0.112 0.000 2.007 644 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 644 K C 1.979 178.646 176.600 0.112 0.000 1.047 644 K CA 1.279 57.624 56.287 0.096 0.000 0.937 644 K CB -0.485 32.054 32.500 0.064 0.000 0.718 644 K HN 0.426 nan 8.250 nan 0.000 0.438 645 L N 1.150 122.425 121.223 0.087 0.000 1.991 645 L HA -0.237 4.103 4.340 -0.001 0.000 0.221 645 L C 2.019 178.921 176.870 0.054 0.000 1.079 645 L CA 1.784 56.647 54.840 0.038 0.000 0.778 645 L CB -0.909 41.135 42.059 -0.025 0.000 0.893 645 L HN 0.103 nan 8.230 nan 0.000 0.437 646 F N 0.220 120.187 119.950 0.029 0.000 2.082 646 F HA -0.350 4.176 4.527 -0.001 0.000 0.298 646 F C 2.303 178.129 175.800 0.043 0.000 1.091 646 F CA 2.098 60.119 58.000 0.036 0.000 1.230 646 F CB -0.973 38.052 39.000 0.041 0.000 0.983 646 F HN 0.331 nan 8.300 nan 0.000 0.485 647 G N -0.889 108.067 108.800 0.261 0.000 2.394 647 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.214 647 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.214 647 G C 1.457 176.438 174.900 0.134 0.000 1.176 647 G CA 0.881 46.089 45.100 0.179 0.000 0.786 647 G HN 0.260 nan 8.290 nan 0.000 0.533 648 N N 1.090 119.853 118.700 0.104 0.000 2.149 648 N HA -0.111 4.628 4.740 -0.001 0.000 0.188 648 N C 2.207 177.747 175.510 0.049 0.000 1.019 648 N CA 0.998 54.093 53.050 0.076 0.000 0.857 648 N CB -0.290 38.231 38.487 0.056 0.000 0.997 648 N HN 0.288 nan 8.380 nan 0.000 0.426 649 I N 1.472 122.059 120.570 0.027 0.000 2.099 649 I HA -0.299 3.870 4.170 -0.001 0.000 0.239 649 I C 2.128 178.259 176.117 0.023 0.000 1.066 649 I CA 1.463 62.762 61.300 -0.001 0.000 1.324 649 I CB -1.213 36.767 38.000 -0.033 0.000 1.037 649 I HN 0.244 nan 8.210 nan 0.000 0.401 650 Q N 1.083 120.920 119.800 0.062 0.000 2.061 650 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 650 Q C 2.254 178.270 176.000 0.026 0.000 0.984 650 Q CA 1.737 57.578 55.803 0.065 0.000 0.846 650 Q CB -0.287 28.516 28.738 0.108 0.000 0.902 650 Q HN 0.482 nan 8.270 nan 0.000 0.421 651 K N 0.090 120.523 120.400 0.054 0.000 2.059 651 K HA -0.209 4.111 4.320 -0.001 0.000 0.212 651 K C 2.076 178.585 176.600 -0.151 0.000 1.050 651 K CA 1.912 58.213 56.287 0.022 0.000 0.927 651 K CB -0.304 32.360 32.500 0.273 0.000 0.714 651 K HN 0.028 nan 8.250 nan 0.000 0.447 652 V N 0.342 120.231 119.914 -0.042 0.000 2.239 652 V HA -0.226 3.894 4.120 -0.001 0.000 0.236 652 V C 2.185 178.294 176.094 0.025 0.000 1.040 652 V CA 1.598 63.878 62.300 -0.033 0.000 0.996 652 V CB -0.645 31.166 31.823 -0.020 0.000 0.640 652 V HN 0.079 nan 8.190 nan 0.000 0.456 653 V N 1.158 121.084 119.914 0.020 0.000 2.277 653 V HA -0.385 3.735 4.120 -0.001 0.000 0.255 653 V C 2.426 178.591 176.094 0.119 0.000 1.074 653 V CA 2.622 64.965 62.300 0.071 0.000 1.058 653 V CB -1.075 30.764 31.823 0.027 0.000 0.656 653 V HN 0.604 nan 8.190 nan 0.000 0.449 654 N N -0.697 118.021 118.700 0.030 0.000 2.104 654 N HA -0.199 4.540 4.740 -0.001 0.000 0.190 654 N C 1.668 177.117 175.510 -0.101 0.000 1.024 654 N CA 1.967 55.004 53.050 -0.021 0.000 0.853 654 N CB -0.531 37.925 38.487 -0.053 0.000 1.008 654 N HN 0.597 nan 8.380 nan 0.000 0.424 655 F N -0.032 119.697 119.950 -0.369 0.000 2.146 655 F HA -0.101 4.425 4.527 -0.001 0.000 0.298 655 F C 2.323 177.909 175.800 -0.357 0.000 1.096 655 F CA 1.002 58.665 58.000 -0.561 0.000 1.275 655 F CB -0.485 37.953 39.000 -0.937 0.000 1.008 655 F HN 0.098 nan 8.300 nan 0.000 0.480 656 W N 0.815 121.942 121.300 -0.289 0.000 2.355 656 W HA -0.220 4.440 4.660 -0.001 0.000 0.309 656 W C 2.086 178.466 176.519 -0.232 0.000 1.206 656 W CA 2.147 59.339 57.345 -0.255 0.000 1.284 656 W CB -0.601 28.801 29.460 -0.097 0.000 1.145 656 W HN 0.138 nan 8.180 nan 0.000 0.502 657 L N 0.405 121.610 121.223 -0.030 0.000 2.291 657 L HA -0.084 4.256 4.340 -0.001 0.000 0.214 657 L C 2.332 179.054 176.870 -0.246 0.000 1.120 657 L CA 1.250 55.992 54.840 -0.164 0.000 0.799 657 L CB -0.821 41.309 42.059 0.120 0.000 0.925 657 L HN 0.165 nan 8.230 nan 0.000 0.446 658 L N -0.475 120.574 121.223 -0.291 0.000 2.012 658 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 658 L C 1.510 178.278 176.870 -0.170 0.000 1.073 658 L CA 1.864 56.548 54.840 -0.260 0.000 0.748 658 L CB -0.689 41.125 42.059 -0.407 0.000 0.891 658 L HN 0.348 nan 8.230 nan 0.000 0.431 659 H N -1.176 117.596 119.070 -0.497 0.000 2.605 659 H HA 0.254 4.809 4.556 -0.001 0.000 0.308 659 H C 0.784 175.804 175.328 -0.512 0.000 1.080 659 H CA 0.532 56.301 56.048 -0.465 0.000 1.119 659 H CB -0.448 29.002 29.762 -0.520 0.000 1.479 659 H HN 0.623 nan 8.280 nan 0.000 0.537 660 N N -0.481 117.960 118.700 -0.431 0.000 2.028 660 N HA 0.123 4.863 4.740 -0.001 0.000 0.230 660 N C 0.428 175.772 175.510 -0.276 0.000 1.354 660 N CA 0.548 53.294 53.050 -0.506 0.000 0.855 660 N CB 1.197 39.014 38.487 -1.117 0.000 1.111 660 N HN 0.251 nan 8.380 nan 0.000 0.480 661 G N 0.338 109.028 108.800 -0.184 0.000 2.785 661 G HA2 0.023 3.982 3.960 -0.001 0.000 0.685 661 G HA3 0.023 3.982 3.960 -0.001 0.000 0.685 661 G C -0.756 174.202 174.900 0.097 0.000 1.480 661 G CA -0.029 45.039 45.100 -0.055 0.000 0.915 661 G HN 0.885 nan 8.290 nan 0.000 0.576 662 F N -0.038 119.875 119.950 -0.061 0.000 2.890 662 F HA 0.748 5.274 4.527 -0.001 0.000 0.326 662 F C -0.558 175.233 175.800 -0.016 0.000 1.143 662 F CA 0.298 58.281 58.000 -0.029 0.000 0.906 662 F CB 0.865 39.862 39.000 -0.005 0.000 1.303 662 F HN 1.821 nan 8.300 nan 0.000 0.447 663 S N 1.162 116.349 115.700 -0.856 0.000 2.661 663 S HA 0.871 5.341 4.470 -0.001 0.000 0.268 663 S C -1.845 172.539 174.600 -0.361 0.000 1.162 663 S CA 0.022 57.876 58.200 -0.576 0.000 0.817 663 S CB 1.741 64.834 63.200 -0.179 0.000 1.141 663 S HN 1.085 nan 8.310 nan 0.000 0.477 664 T N 0.543 114.987 114.554 -0.184 0.000 3.097 664 T HA 0.698 5.048 4.350 -0.001 0.000 0.332 664 T C -0.631 174.048 174.700 -0.035 0.000 1.269 664 T CA -0.170 61.902 62.100 -0.047 0.000 1.076 664 T CB 1.428 70.272 68.868 -0.041 0.000 1.209 664 T HN 1.095 nan 8.240 nan 0.000 0.474 665 G N 1.066 109.867 108.800 0.002 0.000 2.667 665 G HA2 0.577 4.536 3.960 -0.001 0.000 0.298 665 G HA3 0.577 4.536 3.960 -0.001 0.000 0.298 665 G C 0.804 175.708 174.900 0.007 0.000 1.377 665 G CA -0.776 44.323 45.100 -0.001 0.000 0.964 665 G HN 0.862 nan 8.290 nan 0.000 0.493 666 I N 1.580 122.151 120.570 0.002 0.000 2.143 666 I HA -0.195 3.975 4.170 -0.001 0.000 0.245 666 I C 2.483 178.608 176.117 0.013 0.000 1.068 666 I CA 2.524 63.827 61.300 0.005 0.000 1.326 666 I CB 0.006 38.008 38.000 0.004 0.000 1.028 666 I HN 0.601 nan 8.210 nan 0.000 0.412 667 G N -0.302 108.507 108.800 0.014 0.000 2.568 667 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.220 667 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.220 667 G C 1.252 176.166 174.900 0.025 0.000 1.104 667 G CA 1.065 46.176 45.100 0.019 0.000 0.738 667 G HN 0.523 nan 8.290 nan 0.000 0.574 668 D N -0.307 120.110 120.400 0.028 0.000 2.349 668 D HA -0.028 4.611 4.640 -0.001 0.000 0.224 668 D C 2.039 178.357 176.300 0.030 0.000 1.029 668 D CA 1.295 55.317 54.000 0.037 0.000 0.879 668 D CB 0.262 41.092 40.800 0.050 0.000 0.906 668 D HN 0.517 nan 8.370 nan 0.000 0.528 669 T N -1.959 112.609 114.554 0.024 0.000 3.040 669 T HA 0.155 4.505 4.350 -0.001 0.000 0.266 669 T C 0.954 175.669 174.700 0.024 0.000 1.005 669 T CA -0.363 61.751 62.100 0.023 0.000 0.906 669 T CB 0.504 69.384 68.868 0.021 0.000 1.082 669 T HN -0.110 nan 8.240 nan 0.000 0.531 670 I N 3.463 124.046 120.570 0.023 0.000 2.455 670 I HA 0.425 4.594 4.170 -0.001 0.000 0.303 670 I C 0.953 177.083 176.117 0.022 0.000 1.180 670 I CA -0.787 60.526 61.300 0.021 0.000 1.469 670 I CB -1.673 36.338 38.000 0.018 0.000 1.480 670 I HN 0.266 nan 8.210 nan 0.000 0.669 671 A N 5.133 127.967 122.820 0.022 0.000 2.304 671 A HA 0.279 4.598 4.320 -0.001 0.000 0.271 671 A C 0.156 177.752 177.584 0.020 0.000 1.091 671 A CA -0.527 51.524 52.037 0.023 0.000 0.812 671 A CB 0.416 19.431 19.000 0.025 0.000 1.056 671 A HN 0.559 nan 8.150 nan 0.000 0.489 672 D N 0.753 121.165 120.400 0.020 0.000 2.455 672 D HA 0.339 4.978 4.640 -0.001 0.000 0.241 672 D C 1.651 177.959 176.300 0.015 0.000 1.138 672 D CA 1.364 55.374 54.000 0.017 0.000 0.877 672 D CB 1.147 41.956 40.800 0.016 0.000 1.187 672 D HN 0.553 nan 8.370 nan 0.000 0.451 673 G N 4.525 113.333 108.800 0.013 0.000 2.721 673 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 673 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 673 G C -0.784 174.122 174.900 0.010 0.000 1.265 673 G CA 0.638 45.745 45.100 0.011 0.000 0.796 673 G HN 0.555 nan 8.290 nan 0.000 0.620 674 P HA -0.079 nan 4.420 nan 0.000 0.226 674 P C 1.530 178.836 177.300 0.009 0.000 1.146 674 P CA 2.027 65.132 63.100 0.008 0.000 0.773 674 P CB -0.326 31.378 31.700 0.007 0.000 0.772 675 T N -4.966 109.595 114.554 0.012 0.000 3.044 675 T HA 0.098 4.448 4.350 -0.001 0.000 0.255 675 T C 1.804 176.512 174.700 0.015 0.000 1.073 675 T CA 0.144 62.252 62.100 0.014 0.000 1.125 675 T CB -0.587 68.292 68.868 0.017 0.000 0.908 675 T HN -0.162 nan 8.240 nan 0.000 0.480 676 M N 1.976 121.584 119.600 0.015 0.000 2.065 676 M HA 0.076 4.555 4.480 -0.001 0.000 0.259 676 M C 2.341 178.648 176.300 0.013 0.000 1.069 676 M CA 1.439 56.748 55.300 0.015 0.000 1.110 676 M CB -0.619 31.990 32.600 0.014 0.000 1.328 676 M HN 0.097 nan 8.290 nan 0.000 0.405 677 R N -0.662 119.844 120.500 0.010 0.000 2.105 677 R HA -0.163 4.176 4.340 -0.001 0.000 0.239 677 R C 2.200 178.503 176.300 0.006 0.000 1.135 677 R CA 1.389 57.493 56.100 0.007 0.000 0.967 677 R CB -0.448 29.855 30.300 0.005 0.000 0.861 677 R HN 0.468 nan 8.270 nan 0.000 0.442 678 E N 0.650 120.855 120.200 0.007 0.000 2.051 678 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 678 E C 2.052 178.658 176.600 0.009 0.000 0.991 678 E CA 1.266 57.670 56.400 0.006 0.000 0.799 678 E CB -0.097 29.608 29.700 0.008 0.000 0.748 678 E HN 0.314 nan 8.360 nan 0.000 0.449 679 I N 0.235 120.814 120.570 0.015 0.000 2.113 679 I HA -0.259 3.910 4.170 -0.001 0.000 0.238 679 I C 2.743 178.870 176.117 0.017 0.000 1.070 679 I CA 1.481 62.794 61.300 0.021 0.000 1.332 679 I CB -0.460 37.557 38.000 0.029 0.000 1.044 679 I HN 0.092 nan 8.210 nan 0.000 0.402 680 T N 0.365 114.928 114.554 0.014 0.000 2.881 680 T HA -0.208 4.142 4.350 -0.001 0.000 0.270 680 T C 1.628 176.327 174.700 -0.003 0.000 1.068 680 T CA 1.630 63.736 62.100 0.009 0.000 1.131 680 T CB -0.344 68.530 68.868 0.010 0.000 0.871 680 T HN 0.605 nan 8.240 nan 0.000 0.479 681 E N -0.555 119.643 120.200 -0.003 0.000 2.502 681 E HA -0.008 4.342 4.350 -0.001 0.000 0.194 681 E C 1.365 177.955 176.600 -0.016 0.000 1.062 681 E CA 0.746 57.140 56.400 -0.011 0.000 0.867 681 E CB -0.093 29.602 29.700 -0.008 0.000 0.888 681 E HN 0.399 nan 8.360 nan 0.000 0.510 682 T N 0.816 115.363 114.554 -0.011 0.000 3.044 682 T HA 0.099 4.449 4.350 -0.001 0.000 0.255 682 T C 1.747 176.432 174.700 -0.025 0.000 1.073 682 T CA 0.038 62.128 62.100 -0.016 0.000 1.125 682 T CB 0.156 69.022 68.868 -0.002 0.000 0.908 682 T HN 0.114 nan 8.240 nan 0.000 0.480 683 I N 2.210 122.767 120.570 -0.022 0.000 2.286 683 I HA 0.038 4.208 4.170 -0.001 0.000 0.245 683 I C 2.981 179.049 176.117 -0.082 0.000 1.104 683 I CA 0.849 62.116 61.300 -0.054 0.000 1.397 683 I CB -1.692 36.277 38.000 -0.052 0.000 1.072 683 I HN 0.172 nan 8.210 nan 0.000 0.417 684 A N 1.591 124.376 122.820 -0.058 0.000 1.958 684 A HA -0.245 4.075 4.320 -0.001 0.000 0.221 684 A C 2.194 179.747 177.584 -0.051 0.000 1.178 684 A CA 2.153 54.158 52.037 -0.053 0.000 0.642 684 A CB -0.810 18.170 19.000 -0.033 0.000 0.816 684 A HN 0.706 nan 8.150 nan 0.000 0.453 685 E N -0.734 119.436 120.200 -0.051 0.000 2.299 685 E HA 0.208 4.558 4.350 -0.001 0.000 0.193 685 E C 1.777 178.331 176.600 -0.077 0.000 0.998 685 E CA 0.724 57.090 56.400 -0.056 0.000 0.851 685 E CB -0.234 29.433 29.700 -0.054 0.000 0.795 685 E HN 0.478 nan 8.360 nan 0.000 0.492 686 A N 1.681 124.450 122.820 -0.084 0.000 1.935 686 A HA -0.006 4.313 4.320 -0.001 0.000 0.214 686 A C 2.094 179.640 177.584 -0.063 0.000 1.178 686 A CA 0.532 52.513 52.037 -0.093 0.000 0.640 686 A CB -0.051 18.900 19.000 -0.082 0.000 0.825 686 A HN -0.040 nan 8.150 nan 0.000 0.447 687 K N 0.439 120.784 120.400 -0.091 0.000 2.057 687 K HA -0.068 4.252 4.320 -0.001 0.000 0.207 687 K C 1.248 177.829 176.600 -0.031 0.000 1.049 687 K CA 1.057 57.289 56.287 -0.092 0.000 0.931 687 K CB -0.169 32.261 32.500 -0.117 0.000 0.714 687 K HN 0.265 nan 8.250 nan 0.000 0.440 688 K N 0.719 121.105 120.400 -0.023 0.000 2.487 688 K HA 0.014 4.333 4.320 -0.001 0.000 0.192 688 K C 1.539 178.155 176.600 0.027 0.000 1.027 688 K CA 0.330 56.618 56.287 0.002 0.000 1.054 688 K CB 0.367 32.863 32.500 -0.006 0.000 0.824 688 K HN 0.092 nan 8.250 nan 0.000 0.510 689 K N 0.637 121.058 120.400 0.034 0.000 2.353 689 K HA 0.095 4.414 4.320 -0.001 0.000 0.195 689 K C 1.485 178.242 176.600 0.263 0.000 1.031 689 K CA 0.055 56.394 56.287 0.087 0.000 1.079 689 K CB 0.613 33.079 32.500 -0.056 0.000 0.857 689 K HN -0.183 nan 8.250 nan 0.000 0.535 690 V N 1.619 121.649 119.914 0.193 0.000 2.535 690 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 690 V C 2.156 178.316 176.094 0.109 0.000 1.045 690 V CA 0.779 63.159 62.300 0.133 0.000 1.058 690 V CB -0.179 31.678 31.823 0.057 0.000 0.689 690 V HN 0.338 nan 8.190 nan 0.000 0.461 691 L N 0.741 122.019 121.223 0.092 0.000 1.987 691 L HA -0.299 4.041 4.340 -0.001 0.000 0.230 691 L C 2.376 179.309 176.870 0.106 0.000 1.089 691 L CA 2.696 57.589 54.840 0.088 0.000 0.802 691 L CB -1.309 40.784 42.059 0.057 0.000 0.905 691 L HN 0.424 nan 8.230 nan 0.000 0.441 692 D N -0.944 119.515 120.400 0.099 0.000 2.221 692 D HA -0.142 4.497 4.640 -0.001 0.000 0.204 692 D C 2.158 178.526 176.300 0.114 0.000 0.982 692 D CA 1.102 55.158 54.000 0.094 0.000 0.857 692 D CB 0.032 40.885 40.800 0.087 0.000 0.934 692 D HN 0.310 nan 8.370 nan 0.000 0.475 693 V N 1.167 121.165 119.914 0.139 0.000 2.346 693 V HA -0.171 3.949 4.120 -0.001 0.000 0.244 693 V C 2.555 178.828 176.094 0.297 0.000 1.037 693 V CA 1.730 64.121 62.300 0.152 0.000 1.029 693 V CB -0.856 30.966 31.823 -0.001 0.000 0.663 693 V HN 0.188 nan 8.190 nan 0.000 0.454 694 T N -0.225 114.542 114.554 0.355 0.000 2.684 694 T HA -0.267 4.082 4.350 -0.001 0.000 0.267 694 T C 1.963 176.727 174.700 0.106 0.000 1.036 694 T CA 1.744 64.039 62.100 0.326 0.000 1.148 694 T CB -0.272 68.770 68.868 0.290 0.000 0.863 694 T HN 0.237 nan 8.240 nan 0.000 0.436 695 K N 0.864 121.323 120.400 0.098 0.000 2.280 695 K HA -0.042 4.278 4.320 -0.001 0.000 0.202 695 K C 2.255 178.878 176.600 0.039 0.000 1.047 695 K CA 0.987 57.307 56.287 0.055 0.000 0.942 695 K CB -0.044 32.488 32.500 0.055 0.000 0.739 695 K HN 0.479 nan 8.250 nan 0.000 0.457 696 E N -0.930 119.304 120.200 0.057 0.000 2.033 696 E HA -0.051 4.298 4.350 -0.001 0.000 0.189 696 E C 1.736 178.341 176.600 0.008 0.000 0.979 696 E CA 0.835 57.260 56.400 0.041 0.000 0.802 696 E CB -0.064 29.674 29.700 0.064 0.000 0.763 696 E HN 0.316 nan 8.360 nan 0.000 0.449 697 A N 0.528 123.340 122.820 -0.014 0.000 2.015 697 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 697 A C 1.953 179.463 177.584 -0.122 0.000 1.163 697 A CA 1.200 53.179 52.037 -0.098 0.000 0.646 697 A CB -0.359 18.502 19.000 -0.232 0.000 0.806 697 A HN 0.278 nan 8.150 nan 0.000 0.448 698 Q N -1.089 118.649 119.800 -0.104 0.000 2.297 698 Q HA 0.104 4.443 4.340 -0.001 0.000 0.204 698 Q C 1.864 177.843 176.000 -0.035 0.000 0.962 698 Q CA 0.872 56.632 55.803 -0.072 0.000 0.879 698 Q CB -0.134 28.577 28.738 -0.044 0.000 0.947 698 Q HN 0.667 nan 8.270 nan 0.000 0.462 699 A N 0.562 123.369 122.820 -0.022 0.000 2.308 699 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 699 A C 0.303 177.880 177.584 -0.012 0.000 1.216 699 A CA -0.161 51.870 52.037 -0.010 0.000 0.864 699 A CB 0.211 19.213 19.000 0.002 0.000 0.902 699 A HN 0.360 nan 8.150 nan 0.000 0.499 700 N N -1.048 117.638 118.700 -0.023 0.000 2.648 700 N HA -0.138 4.601 4.740 -0.001 0.000 0.265 700 N C -0.065 175.440 175.510 -0.008 0.000 1.100 700 N CA 0.670 53.707 53.050 -0.021 0.000 0.715 700 N CB -1.563 36.913 38.487 -0.019 0.000 0.881 700 N HN 0.469 nan 8.380 nan 0.000 0.548 701 L N 0.087 121.309 121.223 -0.003 0.000 3.217 701 L HA 0.346 4.685 4.340 -0.001 0.000 0.288 701 L C 0.397 177.275 176.870 0.013 0.000 1.202 701 L CA -0.123 54.722 54.840 0.007 0.000 1.027 701 L CB 0.417 42.484 42.059 0.013 0.000 1.427 701 L HN 0.258 nan 8.230 nan 0.000 0.600 702 L N 1.101 122.329 121.223 0.010 0.000 2.264 702 L HA 0.488 4.828 4.340 -0.001 0.000 0.289 702 L C -0.368 176.510 176.870 0.014 0.000 1.044 702 L CA 0.014 54.866 54.840 0.020 0.000 0.807 702 L CB 1.422 43.500 42.059 0.032 0.000 1.192 702 L HN 0.113 nan 8.230 nan 0.000 0.425 703 T N 0.306 114.873 114.554 0.021 0.000 2.923 703 T HA 0.578 4.928 4.350 -0.001 0.000 0.311 703 T C 0.158 174.877 174.700 0.032 0.000 1.183 703 T CA -0.193 61.920 62.100 0.022 0.000 1.020 703 T CB 1.936 70.816 68.868 0.019 0.000 1.165 703 T HN 0.460 nan 8.240 nan 0.000 0.482 704 A N 1.384 124.229 122.820 0.041 0.000 1.963 704 A HA 0.384 4.704 4.320 -0.001 0.000 0.207 704 A C 1.047 178.646 177.584 0.024 0.000 1.243 704 A CA 0.304 52.362 52.037 0.035 0.000 0.728 704 A CB -0.105 18.927 19.000 0.055 0.000 0.895 704 A HN 0.720 nan 8.150 nan 0.000 0.467 705 K N 0.231 120.648 120.400 0.028 0.000 2.120 705 K HA 0.147 4.467 4.320 -0.001 0.000 0.245 705 K C -0.209 176.430 176.600 0.064 0.000 1.024 705 K CA -0.544 55.774 56.287 0.052 0.000 0.906 705 K CB 0.198 32.726 32.500 0.046 0.000 1.051 705 K HN 0.527 nan 8.250 nan 0.000 0.491 706 H N 0.142 119.217 119.070 0.009 0.000 2.886 706 H HA -0.001 4.554 4.556 -0.001 0.000 0.329 706 H C 0.493 175.829 175.328 0.013 0.000 1.044 706 H CA 1.420 57.472 56.048 0.007 0.000 1.456 706 H CB 0.344 30.107 29.762 0.002 0.000 1.464 706 H HN 0.874 nan 8.280 nan 0.000 0.573 707 G N 5.139 113.540 108.800 -0.665 0.000 2.272 707 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.280 707 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.280 707 G C -0.076 174.725 174.900 -0.166 0.000 1.067 707 G CA 0.714 45.559 45.100 -0.425 0.000 0.902 707 G HN 0.701 nan 8.290 nan 0.000 0.500 708 M N -1.812 117.720 119.600 -0.114 0.000 2.813 708 M HA 0.510 4.989 4.480 -0.001 0.000 0.270 708 M C -0.002 176.277 176.300 -0.036 0.000 1.267 708 M CA -1.023 54.246 55.300 -0.051 0.000 0.822 708 M CB 0.811 33.398 32.600 -0.022 0.000 1.671 708 M HN -0.004 nan 8.290 nan 0.000 0.468 709 T N 1.801 116.344 114.554 -0.019 0.000 2.918 709 T HA 0.143 4.492 4.350 -0.001 0.000 0.302 709 T C 1.326 176.020 174.700 -0.010 0.000 1.045 709 T CA -0.658 61.434 62.100 -0.015 0.000 1.114 709 T CB 0.899 69.762 68.868 -0.009 0.000 0.965 709 T HN 0.525 nan 8.240 nan 0.000 0.540 710 L N 2.267 123.481 121.223 -0.016 0.000 1.997 710 L HA -0.237 4.103 4.340 -0.001 0.000 0.227 710 L C 2.623 179.478 176.870 -0.026 0.000 1.087 710 L CA 2.089 56.916 54.840 -0.022 0.000 0.797 710 L CB -0.806 41.231 42.059 -0.036 0.000 0.902 710 L HN 0.735 nan 8.230 nan 0.000 0.441 711 R N -0.705 119.767 120.500 -0.047 0.000 2.094 711 R HA -0.228 4.112 4.340 -0.001 0.000 0.239 711 R C 2.179 178.488 176.300 0.015 0.000 1.137 711 R CA 1.887 57.950 56.100 -0.061 0.000 0.943 711 R CB -0.362 29.896 30.300 -0.068 0.000 0.850 711 R HN 0.474 nan 8.270 nan 0.000 0.433 712 E N 0.191 120.398 120.200 0.011 0.000 2.160 712 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 712 E C 1.791 178.405 176.600 0.023 0.000 0.991 712 E CA 1.624 58.035 56.400 0.019 0.000 0.810 712 E CB 0.105 29.810 29.700 0.009 0.000 0.742 712 E HN 0.401 nan 8.360 nan 0.000 0.466 713 S N 0.270 115.986 115.700 0.027 0.000 2.335 713 S HA -0.180 4.289 4.470 -0.001 0.000 0.217 713 S C 1.903 176.504 174.600 0.002 0.000 1.032 713 S CA 0.834 59.042 58.200 0.014 0.000 0.985 713 S CB -1.032 62.179 63.200 0.018 0.000 0.896 713 S HN 0.409 nan 8.310 nan 0.000 0.445 714 F N 2.957 122.838 119.950 -0.116 0.000 2.106 714 F HA -0.228 4.298 4.527 -0.001 0.000 0.299 714 F C 2.564 178.275 175.800 -0.149 0.000 1.082 714 F CA 2.298 60.206 58.000 -0.153 0.000 1.244 714 F CB -0.294 38.605 39.000 -0.169 0.000 0.997 714 F HN 0.155 nan 8.300 nan 0.000 0.486 715 E N 0.318 120.537 120.200 0.032 0.000 2.047 715 E HA -0.240 4.109 4.350 -0.001 0.000 0.191 715 E C 1.932 178.470 176.600 -0.104 0.000 0.987 715 E CA 1.483 57.861 56.400 -0.037 0.000 0.799 715 E CB -0.796 28.919 29.700 0.026 0.000 0.752 715 E HN 0.600 nan 8.360 nan 0.000 0.449 716 D N 0.864 121.219 120.400 -0.074 0.000 2.103 716 D HA -0.197 4.442 4.640 -0.001 0.000 0.190 716 D C 1.712 177.915 176.300 -0.161 0.000 0.997 716 D CA 1.489 55.445 54.000 -0.074 0.000 0.833 716 D CB -0.405 40.372 40.800 -0.038 0.000 0.961 716 D HN -0.050 nan 8.370 nan 0.000 0.447 717 N N -0.624 117.918 118.700 -0.262 0.000 2.192 717 N HA -0.127 4.613 4.740 -0.001 0.000 0.188 717 N C 1.746 176.867 175.510 -0.648 0.000 1.013 717 N CA 0.917 53.693 53.050 -0.457 0.000 0.863 717 N CB -0.121 38.059 38.487 -0.511 0.000 0.990 717 N HN 0.207 nan 8.380 nan 0.000 0.430 718 V N -0.428 119.161 119.914 -0.542 0.000 2.599 718 V HA -0.060 4.060 4.120 -0.001 0.000 0.245 718 V C 2.234 178.245 176.094 -0.139 0.000 1.046 718 V CA 0.694 62.737 62.300 -0.429 0.000 1.065 718 V CB -0.057 31.477 31.823 -0.482 0.000 0.703 718 V HN 0.046 nan 8.190 nan 0.000 0.464 719 V N -0.122 119.736 119.914 -0.094 0.000 2.427 719 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 719 V C 2.493 178.619 176.094 0.054 0.000 1.051 719 V CA 1.819 64.123 62.300 0.007 0.000 1.048 719 V CB -0.803 31.027 31.823 0.011 0.000 0.666 719 V HN 0.420 nan 8.190 nan 0.000 0.456 720 R N -0.342 120.183 120.500 0.041 0.000 2.096 720 R HA -0.151 4.188 4.340 -0.001 0.000 0.229 720 R C 2.358 178.794 176.300 0.228 0.000 1.134 720 R CA 2.323 58.492 56.100 0.115 0.000 0.917 720 R CB -0.595 29.777 30.300 0.121 0.000 0.832 720 R HN 0.455 nan 8.270 nan 0.000 0.430 721 F N 0.158 120.091 119.950 -0.029 0.000 2.106 721 F HA -0.310 4.216 4.527 -0.001 0.000 0.299 721 F C 2.075 177.882 175.800 0.012 0.000 1.082 721 F CA 0.472 58.456 58.000 -0.025 0.000 1.244 721 F CB -0.104 38.860 39.000 -0.060 0.000 0.997 721 F HN 0.132 nan 8.300 nan 0.000 0.486 722 L N -0.478 120.893 121.223 0.246 0.000 2.509 722 L HA -0.035 4.304 4.340 -0.001 0.000 0.222 722 L C 1.682 178.707 176.870 0.258 0.000 1.123 722 L CA 1.033 56.038 54.840 0.274 0.000 0.856 722 L CB -0.897 41.362 42.059 0.334 0.000 0.985 722 L HN 0.069 nan 8.230 nan 0.000 0.456 723 N N -0.731 118.063 118.700 0.157 0.000 2.387 723 N HA -0.114 4.625 4.740 -0.001 0.000 0.176 723 N C 1.637 177.201 175.510 0.089 0.000 1.022 723 N CA 0.421 53.532 53.050 0.101 0.000 0.883 723 N CB 0.352 38.875 38.487 0.060 0.000 1.019 723 N HN 0.225 nan 8.380 nan 0.000 0.435 724 E N 1.769 122.019 120.200 0.082 0.000 2.065 724 E HA -0.163 4.186 4.350 -0.001 0.000 0.201 724 E C 1.839 178.467 176.600 0.046 0.000 1.016 724 E CA 1.728 58.154 56.400 0.044 0.000 0.818 724 E CB -0.260 29.449 29.700 0.016 0.000 0.749 724 E HN 0.320 nan 8.360 nan 0.000 0.453 725 A N 0.745 123.606 122.820 0.068 0.000 1.851 725 A HA -0.257 4.062 4.320 -0.001 0.000 0.216 725 A C 2.291 179.945 177.584 0.117 0.000 1.195 725 A CA 2.023 54.106 52.037 0.076 0.000 0.622 725 A CB -0.758 18.295 19.000 0.089 0.000 0.831 725 A HN 0.269 nan 8.150 nan 0.000 0.444 726 R N -0.583 120.015 120.500 0.164 0.000 2.105 726 R HA -0.174 4.166 4.340 -0.001 0.000 0.239 726 R C 1.305 177.680 176.300 0.126 0.000 1.135 726 R CA 1.962 58.147 56.100 0.141 0.000 0.967 726 R CB -0.335 30.016 30.300 0.086 0.000 0.861 726 R HN 0.577 nan 8.270 nan 0.000 0.442 727 D N -0.275 120.204 120.400 0.131 0.000 2.183 727 D HA -0.095 4.545 4.640 -0.001 0.000 0.205 727 D C 1.700 178.095 176.300 0.157 0.000 0.962 727 D CA 0.801 54.918 54.000 0.195 0.000 0.849 727 D CB 0.092 40.971 40.800 0.131 0.000 0.978 727 D HN 0.112 nan 8.370 nan 0.000 0.488 728 K N 1.491 121.940 120.400 0.082 0.000 1.973 728 K HA -0.041 4.278 4.320 -0.001 0.000 0.212 728 K C 1.979 178.624 176.600 0.076 0.000 1.047 728 K CA 1.393 57.710 56.287 0.051 0.000 0.937 728 K CB -0.324 32.186 32.500 0.017 0.000 0.721 728 K HN -0.037 nan 8.250 nan 0.000 0.440 729 A N 0.094 122.959 122.820 0.075 0.000 2.186 729 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 729 A C 2.117 179.757 177.584 0.092 0.000 1.159 729 A CA 1.877 53.957 52.037 0.072 0.000 0.680 729 A CB -1.103 17.939 19.000 0.070 0.000 0.787 729 A HN 0.549 nan 8.150 nan 0.000 0.467 730 G N -0.466 108.418 108.800 0.140 0.000 2.404 730 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.213 730 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.213 730 G C 1.592 176.642 174.900 0.250 0.000 1.189 730 G CA 0.509 45.713 45.100 0.173 0.000 0.796 730 G HN 0.536 nan 8.290 nan 0.000 0.532 731 R N 0.004 120.675 120.500 0.284 0.000 2.357 731 R HA 0.227 4.566 4.340 -0.001 0.000 0.202 731 R C 2.067 178.430 176.300 0.105 0.000 1.047 731 R CA -0.010 56.209 56.100 0.199 0.000 1.034 731 R CB -0.171 30.164 30.300 0.058 0.000 0.875 731 R HN 0.325 nan 8.270 nan 0.000 0.473 732 L N -0.752 120.524 121.223 0.089 0.000 2.418 732 L HA 0.039 4.379 4.340 -0.001 0.000 0.218 732 L C 2.062 178.966 176.870 0.057 0.000 1.125 732 L CA 0.502 55.377 54.840 0.057 0.000 0.835 732 L CB -0.119 41.967 42.059 0.044 0.000 0.953 732 L HN 0.213 nan 8.230 nan 0.000 0.454 733 A N -0.902 121.962 122.820 0.074 0.000 2.115 733 A HA -0.051 4.268 4.320 -0.001 0.000 0.211 733 A C 2.129 179.756 177.584 0.073 0.000 1.169 733 A CA 0.232 52.305 52.037 0.060 0.000 0.787 733 A CB -0.000 19.027 19.000 0.046 0.000 0.858 733 A HN 0.290 nan 8.150 nan 0.000 0.474 734 E N -0.376 119.892 120.200 0.112 0.000 2.216 734 E HA -0.064 4.285 4.350 -0.001 0.000 0.192 734 E C 1.677 178.321 176.600 0.074 0.000 0.988 734 E CA 0.963 57.436 56.400 0.122 0.000 0.834 734 E CB 0.106 29.929 29.700 0.206 0.000 0.772 734 E HN 0.305 nan 8.360 nan 0.000 0.479 735 V N 1.499 121.448 119.914 0.058 0.000 2.649 735 V HA -0.101 4.019 4.120 -0.001 0.000 0.248 735 V C 1.673 177.787 176.094 0.032 0.000 1.054 735 V CA 1.160 63.481 62.300 0.036 0.000 1.073 735 V CB -0.387 31.451 31.823 0.026 0.000 0.699 735 V HN 0.280 nan 8.190 nan 0.000 0.463 736 N N 0.581 119.302 118.700 0.035 0.000 2.535 736 N HA 0.017 4.757 4.740 -0.001 0.000 0.203 736 N C -0.213 175.314 175.510 0.029 0.000 1.301 736 N CA 0.031 53.099 53.050 0.029 0.000 0.859 736 N CB -0.185 38.319 38.487 0.029 0.000 1.055 736 N HN 0.444 nan 8.380 nan 0.000 0.457 737 L N 0.855 122.096 121.223 0.030 0.000 2.329 737 L HA 0.397 4.737 4.340 -0.001 0.000 0.279 737 L C -0.018 176.865 176.870 0.022 0.000 1.014 737 L CA -0.882 53.974 54.840 0.028 0.000 0.814 737 L CB 1.659 43.737 42.059 0.032 0.000 1.257 737 L HN -0.052 nan 8.230 nan 0.000 0.424 738 K N 1.896 122.307 120.400 0.019 0.000 4.290 738 K HA -0.117 4.202 4.320 -0.001 0.000 0.551 738 K C -0.514 176.095 176.600 0.015 0.000 1.169 738 K CA 0.108 56.407 56.287 0.019 0.000 1.215 738 K CB -0.879 31.636 32.500 0.024 0.000 1.818 738 K HN 0.757 nan 8.250 nan 0.000 0.392 739 D N 0.216 120.622 120.400 0.010 0.000 2.194 739 D HA -0.056 4.584 4.640 -0.001 0.000 0.204 739 D C 1.623 177.919 176.300 -0.007 0.000 0.964 739 D CA 0.996 54.997 54.000 0.001 0.000 0.846 739 D CB 0.163 40.964 40.800 0.000 0.000 0.962 739 D HN 0.578 nan 8.370 nan 0.000 0.490 740 L N -0.519 120.706 121.223 0.004 0.000 2.715 740 L HA 0.279 4.619 4.340 -0.001 0.000 0.238 740 L C 0.155 177.038 176.870 0.023 0.000 1.212 740 L CA -0.327 54.517 54.840 0.007 0.000 1.017 740 L CB -0.971 41.099 42.059 0.017 0.000 1.269 740 L HN -0.246 nan 8.230 nan 0.000 0.452 741 N N 0.795 119.508 118.700 0.022 0.000 2.415 741 N HA 0.114 4.854 4.740 -0.001 0.000 0.246 741 N C 0.882 176.424 175.510 0.053 0.000 1.078 741 N CA -0.140 52.935 53.050 0.042 0.000 0.942 741 N CB 0.360 38.869 38.487 0.037 0.000 1.140 741 N HN 0.129 nan 8.380 nan 0.000 0.501 742 N N 2.807 121.576 118.700 0.116 0.000 2.064 742 N HA -0.232 4.508 4.740 -0.001 0.000 0.200 742 N C 1.306 176.941 175.510 0.209 0.000 1.028 742 N CA 1.528 54.730 53.050 0.253 0.000 0.880 742 N CB -0.511 38.227 38.487 0.418 0.000 1.062 742 N HN 0.335 nan 8.380 nan 0.000 0.454 743 V N 2.044 122.048 119.914 0.150 0.000 2.219 743 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 743 V C 2.628 178.769 176.094 0.078 0.000 1.053 743 V CA 2.230 64.597 62.300 0.111 0.000 1.009 743 V CB -0.719 31.144 31.823 0.066 0.000 0.636 743 V HN 0.457 nan 8.190 nan 0.000 0.445 744 K N -0.162 120.270 120.400 0.053 0.000 2.127 744 K HA -0.312 4.008 4.320 -0.001 0.000 0.208 744 K C 2.120 178.732 176.600 0.020 0.000 1.047 744 K CA 2.241 58.551 56.287 0.038 0.000 0.927 744 K CB -0.300 32.220 32.500 0.032 0.000 0.716 744 K HN 0.568 nan 8.250 nan 0.000 0.450 745 Q N 0.068 119.864 119.800 -0.007 0.000 2.135 745 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 745 Q C 2.238 178.216 176.000 -0.036 0.000 0.981 745 Q CA 2.154 57.918 55.803 -0.065 0.000 0.856 745 Q CB -0.118 28.502 28.738 -0.197 0.000 0.902 745 Q HN 0.460 nan 8.270 nan 0.000 0.425 746 M N -0.392 119.227 119.600 0.032 0.000 2.064 746 M HA -0.170 4.309 4.480 -0.001 0.000 0.260 746 M C 2.228 178.560 176.300 0.054 0.000 1.073 746 M CA 1.242 56.589 55.300 0.077 0.000 1.124 746 M CB -0.222 32.466 32.600 0.148 0.000 1.326 746 M HN 0.065 nan 8.290 nan 0.000 0.410 747 V N 0.058 120.004 119.914 0.053 0.000 2.469 747 V HA -0.284 3.835 4.120 -0.001 0.000 0.251 747 V C 2.282 178.399 176.094 0.038 0.000 1.064 747 V CA 1.564 63.894 62.300 0.050 0.000 1.066 747 V CB -0.731 31.128 31.823 0.059 0.000 0.667 747 V HN 0.553 nan 8.190 nan 0.000 0.461 748 M N -0.641 118.974 119.600 0.024 0.000 2.419 748 M HA 0.011 4.490 4.480 -0.001 0.000 0.264 748 M C 2.016 178.315 176.300 -0.001 0.000 1.082 748 M CA 1.371 56.677 55.300 0.009 0.000 1.119 748 M CB -0.082 32.516 32.600 -0.003 0.000 1.398 748 M HN 0.429 nan 8.290 nan 0.000 0.453 749 A N -0.617 122.203 122.820 0.001 0.000 1.943 749 A HA 0.298 4.618 4.320 -0.001 0.000 0.213 749 A C 1.573 179.165 177.584 0.014 0.000 1.181 749 A CA 1.146 53.182 52.037 -0.001 0.000 0.653 749 A CB -0.464 18.537 19.000 0.002 0.000 0.833 749 A HN 0.591 nan 8.150 nan 0.000 0.451 750 G N -0.431 108.386 108.800 0.028 0.000 2.140 750 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.211 750 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.211 750 G C 0.972 175.899 174.900 0.046 0.000 1.013 750 G CA 1.193 46.315 45.100 0.036 0.000 0.705 750 G HN 1.450 nan 8.290 nan 0.000 0.508 751 S N -1.562 114.170 115.700 0.054 0.000 2.446 751 S HA 0.474 4.944 4.470 -0.001 0.000 0.225 751 S C 0.785 175.424 174.600 0.065 0.000 1.016 751 S CA 1.677 59.917 58.200 0.066 0.000 0.943 751 S CB 0.465 63.715 63.200 0.084 0.000 0.786 751 S HN 0.792 nan 8.310 nan 0.000 0.508 752 K N -0.718 119.720 120.400 0.063 0.000 2.639 752 K HA 0.519 4.839 4.320 -0.001 0.000 0.279 752 K C -0.450 176.180 176.600 0.050 0.000 0.976 752 K CA 0.664 56.983 56.287 0.053 0.000 0.861 752 K CB 1.221 33.754 32.500 0.053 0.000 1.436 752 K HN 0.724 nan 8.250 nan 0.000 0.400 753 G N 0.589 109.412 108.800 0.038 0.000 2.755 753 G HA2 0.108 4.067 3.960 -0.001 0.000 0.686 753 G HA3 0.108 4.067 3.960 -0.001 0.000 0.686 753 G C -0.949 173.977 174.900 0.043 0.000 1.427 753 G CA -0.152 44.967 45.100 0.031 0.000 0.873 753 G HN 0.847 nan 8.290 nan 0.000 0.580 754 S N -0.807 114.917 115.700 0.039 0.000 2.651 754 S HA 0.672 5.142 4.470 -0.001 0.000 0.279 754 S C 0.996 175.640 174.600 0.073 0.000 1.148 754 S CA 0.518 58.762 58.200 0.074 0.000 0.837 754 S CB 1.296 64.547 63.200 0.084 0.000 1.138 754 S HN 1.882 nan 8.310 nan 0.000 0.478 755 F N 2.901 122.856 119.950 0.009 0.000 2.111 755 F HA -0.177 4.349 4.527 -0.001 0.000 0.300 755 F C 1.485 177.289 175.800 0.006 0.000 1.088 755 F CA 2.371 60.374 58.000 0.005 0.000 1.243 755 F CB -0.449 38.550 39.000 -0.003 0.000 0.996 755 F HN 0.602 nan 8.300 nan 0.000 0.483 756 I N 0.404 120.743 120.570 -0.386 0.000 2.394 756 I HA -0.290 3.879 4.170 -0.001 0.000 0.251 756 I C 1.955 177.866 176.117 -0.343 0.000 1.136 756 I CA 1.200 62.196 61.300 -0.506 0.000 1.425 756 I CB -0.872 37.043 38.000 -0.141 0.000 1.079 756 I HN 0.233 nan 8.210 nan 0.000 0.425 757 N N 1.053 119.636 118.700 -0.195 0.000 2.364 757 N HA -0.114 4.626 4.740 -0.001 0.000 0.183 757 N C 1.698 177.125 175.510 -0.139 0.000 1.022 757 N CA 1.311 54.284 53.050 -0.129 0.000 0.883 757 N CB 0.102 38.546 38.487 -0.071 0.000 0.965 757 N HN 0.319 nan 8.380 nan 0.000 0.438 758 I N 0.657 121.109 120.570 -0.196 0.000 2.731 758 I HA 0.032 4.202 4.170 -0.001 0.000 0.260 758 I C 2.243 178.250 176.117 -0.183 0.000 1.138 758 I CA 0.145 61.358 61.300 -0.145 0.000 1.461 758 I CB -0.572 37.383 38.000 -0.074 0.000 1.128 758 I HN -0.053 nan 8.210 nan 0.000 0.438 759 A N -0.180 122.408 122.820 -0.388 0.000 1.877 759 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 759 A C 1.354 178.857 177.584 -0.135 0.000 1.186 759 A CA 0.866 52.723 52.037 -0.300 0.000 0.620 759 A CB -0.563 18.116 19.000 -0.534 0.000 0.822 759 A HN 0.359 nan 8.150 nan 0.000 0.443 760 Q N 0.675 120.401 119.800 -0.123 0.000 2.337 760 Q HA 0.330 4.669 4.340 -0.001 0.000 0.270 760 Q C 0.372 176.430 176.000 0.097 0.000 1.002 760 Q CA 0.433 56.262 55.803 0.044 0.000 0.888 760 Q CB 0.554 29.333 28.738 0.069 0.000 1.222 760 Q HN 0.784 nan 8.270 nan 0.000 0.400 761 M N -0.392 119.378 119.600 0.283 0.000 7.318 761 M HA -0.343 4.136 4.480 -0.001 0.000 0.157 761 M C 0.002 176.343 176.300 0.069 0.000 0.481 761 M CA 1.346 56.764 55.300 0.197 0.000 1.311 761 M CB -1.506 31.173 32.600 0.130 0.000 0.421 761 M HN 0.887 nan 8.290 nan 0.000 0.190 762 S N -1.254 114.479 115.700 0.056 0.000 1.891 762 S HA -0.292 4.178 4.470 -0.001 0.000 0.224 762 S C 0.891 175.509 174.600 0.029 0.000 0.993 762 S CA 3.013 61.233 58.200 0.033 0.000 1.595 762 S CB -2.047 61.166 63.200 0.022 0.000 2.103 762 S HN 2.178 nan 8.310 nan 0.000 0.555 763 A N -0.005 122.831 122.820 0.026 0.000 2.084 763 A HA 0.712 5.031 4.320 -0.001 0.000 0.211 763 A C 0.896 178.497 177.584 0.029 0.000 2.280 763 A CA 0.924 52.977 52.037 0.027 0.000 1.128 763 A CB 0.318 19.333 19.000 0.024 0.000 1.248 763 A HN 1.835 nan 8.150 nan 0.000 0.624 764 C N -2.636 116.676 119.300 0.020 0.000 3.288 764 C HA 0.698 5.157 4.460 -0.001 0.000 0.318 764 C C 1.110 176.069 174.990 -0.053 0.000 1.356 764 C CA 0.100 59.126 59.018 0.014 0.000 1.359 764 C CB 0.818 28.617 27.740 0.099 0.000 1.688 764 C HN 0.508 nan 8.230 nan 0.000 0.467 765 V N 1.973 121.806 119.914 -0.135 0.000 2.374 765 V HA 0.567 4.687 4.120 -0.001 0.000 0.241 765 V C 1.755 177.682 176.094 -0.279 0.000 1.034 765 V CA 2.450 64.611 62.300 -0.231 0.000 1.037 765 V CB -0.674 30.921 31.823 -0.379 0.000 0.682 765 V HN 2.072 nan 8.190 nan 0.000 0.463 766 G N -0.338 108.152 108.800 -0.516 0.000 2.362 766 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.517 766 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.517 766 G C -0.861 173.459 174.900 -0.966 0.000 1.256 766 G CA -0.106 44.533 45.100 -0.768 0.000 1.027 766 G HN 0.417 nan 8.290 nan 0.000 0.491 767 Q N -0.289 119.148 119.800 -0.605 0.000 2.293 767 Q HA 0.644 4.984 4.340 -0.001 0.000 0.251 767 Q C -0.058 175.845 176.000 -0.162 0.000 0.930 767 Q CA 0.037 55.642 55.803 -0.330 0.000 0.893 767 Q CB 1.207 29.884 28.738 -0.102 0.000 1.215 767 Q HN 0.565 nan 8.270 nan 0.000 0.425 768 Q N 1.451 121.189 119.800 -0.104 0.000 2.331 768 Q HA 0.399 4.739 4.340 -0.001 0.000 0.257 768 Q C -1.293 174.698 176.000 -0.014 0.000 0.957 768 Q CA 0.118 55.907 55.803 -0.023 0.000 0.923 768 Q CB 1.475 30.224 28.738 0.019 0.000 1.212 768 Q HN 0.617 nan 8.270 nan 0.000 0.443 769 S N 2.560 118.268 115.700 0.015 0.000 2.438 769 S HA 0.700 5.170 4.470 -0.001 0.000 0.293 769 S C -1.069 173.537 174.600 0.009 0.000 1.141 769 S CA -0.476 57.734 58.200 0.017 0.000 1.080 769 S CB 0.425 63.651 63.200 0.044 0.000 0.978 769 S HN 0.433 nan 8.310 nan 0.000 0.479 770 V N 4.664 124.576 119.914 -0.004 0.000 2.733 770 V HA 0.412 4.531 4.120 -0.001 0.000 0.306 770 V C -0.062 176.023 176.094 -0.014 0.000 1.084 770 V CA -0.604 61.688 62.300 -0.013 0.000 0.905 770 V CB 1.688 33.499 31.823 -0.020 0.000 1.010 770 V HN 1.063 nan 8.190 nan 0.000 0.424 771 E N 3.870 124.057 120.200 -0.022 0.000 2.328 771 E HA -0.266 4.084 4.350 -0.001 0.000 0.233 771 E C 1.232 177.822 176.600 -0.017 0.000 1.219 771 E CA 1.657 58.042 56.400 -0.025 0.000 0.717 771 E CB -1.148 28.543 29.700 -0.016 0.000 1.210 771 E HN 1.718 nan 8.360 nan 0.000 0.381 772 G N -1.185 107.606 108.800 -0.015 0.000 2.412 772 G HA2 -0.457 3.503 3.960 -0.001 0.000 0.252 772 G HA3 -0.457 3.503 3.960 -0.001 0.000 0.252 772 G C 0.544 175.471 174.900 0.044 0.000 1.038 772 G CA 1.054 46.165 45.100 0.018 0.000 0.628 772 G HN 0.450 nan 8.290 nan 0.000 0.531 773 K N 0.910 121.323 120.400 0.021 0.000 2.106 773 K HA 0.569 4.888 4.320 -0.001 0.000 0.246 773 K C 1.014 177.611 176.600 -0.006 0.000 0.987 773 K CA -0.729 55.567 56.287 0.014 0.000 0.904 773 K CB 0.736 33.239 32.500 0.005 0.000 1.071 773 K HN 0.539 nan 8.250 nan 0.000 0.453 774 R N 1.188 121.677 120.500 -0.019 0.000 2.615 774 R HA 0.228 4.568 4.340 -0.001 0.000 0.270 774 R C 0.053 176.305 176.300 -0.080 0.000 1.081 774 R CA -0.764 55.308 56.100 -0.046 0.000 1.154 774 R CB 0.052 30.325 30.300 -0.044 0.000 1.063 774 R HN 0.394 nan 8.270 nan 0.000 0.519 775 I N 0.876 121.377 120.570 -0.116 0.000 3.163 775 I HA -0.195 3.974 4.170 -0.001 0.000 0.332 775 I C 0.586 176.639 176.117 -0.107 0.000 1.205 775 I CA 0.686 61.916 61.300 -0.117 0.000 1.473 775 I CB -0.907 36.950 38.000 -0.238 0.000 1.300 775 I HN 0.773 nan 8.210 nan 0.000 0.532 776 A N 7.464 130.262 122.820 -0.037 0.000 2.301 776 A HA 0.475 4.795 4.320 -0.001 0.000 0.312 776 A C 0.085 177.732 177.584 0.105 0.000 1.182 776 A CA -0.616 51.405 52.037 -0.027 0.000 0.826 776 A CB 0.181 19.191 19.000 0.016 0.000 1.134 776 A HN 0.594 nan 8.150 nan 0.000 0.501 777 F N 2.953 122.962 119.950 0.099 0.000 2.431 777 F HA -0.084 4.442 4.527 -0.001 0.000 0.306 777 F C 1.817 177.694 175.800 0.128 0.000 1.259 777 F CA 0.042 58.114 58.000 0.120 0.000 0.993 777 F CB -0.168 38.885 39.000 0.087 0.000 1.387 777 F HN 0.905 nan 8.300 nan 0.000 0.636 778 G N 3.021 112.026 108.800 0.341 0.000 2.552 778 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.216 778 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.216 778 G C 0.463 175.439 174.900 0.127 0.000 1.240 778 G CA -0.049 45.166 45.100 0.191 0.000 0.796 778 G HN 0.333 nan 8.290 nan 0.000 0.568 779 F N -0.276 119.734 119.950 0.100 0.000 2.545 779 F HA 0.272 4.798 4.527 -0.001 0.000 0.348 779 F C 0.948 176.755 175.800 0.010 0.000 1.163 779 F CA -0.596 57.429 58.000 0.041 0.000 1.331 779 F CB 0.893 39.901 39.000 0.013 0.000 1.138 779 F HN -0.029 nan 8.300 nan 0.000 0.602 780 V N 4.578 124.579 119.914 0.146 0.000 2.475 780 V HA -0.089 4.031 4.120 -0.001 0.000 0.292 780 V C 0.270 176.282 176.094 -0.137 0.000 1.003 780 V CA 0.351 62.663 62.300 0.019 0.000 1.120 780 V CB -0.469 31.359 31.823 0.009 0.000 0.937 780 V HN 0.893 nan 8.190 nan 0.000 0.476 781 D N 3.522 123.700 120.400 -0.370 0.000 3.077 781 D HA -0.198 4.441 4.640 -0.001 0.000 0.217 781 D C 0.302 175.691 176.300 -1.518 0.000 1.162 781 D CA 1.810 55.158 54.000 -1.087 0.000 0.943 781 D CB -0.523 39.935 40.800 -0.569 0.000 1.122 781 D HN 0.982 nan 8.370 nan 0.000 0.413 782 R N -2.519 117.576 120.500 -0.675 0.000 2.643 782 R HA 0.553 4.893 4.340 -0.001 0.000 0.269 782 R C 1.060 177.575 176.300 0.359 0.000 1.037 782 R CA -0.345 55.705 56.100 -0.083 0.000 0.894 782 R CB 0.608 30.884 30.300 -0.040 0.000 1.238 782 R HN -0.111 nan 8.270 nan 0.000 0.459 783 T N -0.739 114.153 114.554 0.563 0.000 2.978 783 T HA 0.181 4.531 4.350 -0.001 0.000 0.262 783 T C 0.715 175.617 174.700 0.336 0.000 1.063 783 T CA 0.558 62.982 62.100 0.540 0.000 1.140 783 T CB -0.033 69.176 68.868 0.569 0.000 0.886 783 T HN 0.360 nan 8.240 nan 0.000 0.470 784 L N 0.041 121.228 121.223 -0.059 0.000 2.277 784 L HA 0.470 4.809 4.340 -0.001 0.000 0.254 784 L C -2.005 174.241 176.870 -1.040 0.000 1.044 784 L CA -2.614 51.808 54.840 -0.696 0.000 0.842 784 L CB 2.336 43.984 42.059 -0.686 0.000 1.422 784 L HN -0.276 nan 8.230 nan 0.000 0.422 785 P HA -0.028 nan 4.420 nan 0.000 0.227 785 P C 0.536 177.508 177.300 -0.548 0.000 1.161 785 P CA 0.901 63.464 63.100 -0.896 0.000 0.788 785 P CB 0.073 31.340 31.700 -0.721 0.000 0.822 786 H N -1.603 117.243 119.070 -0.373 0.000 2.547 786 H HA 0.225 4.780 4.556 -0.001 0.000 0.274 786 H C 0.485 175.755 175.328 -0.096 0.000 1.024 786 H CA 0.052 55.949 56.048 -0.251 0.000 1.155 786 H CB -0.896 28.688 29.762 -0.298 0.000 1.344 786 H HN 0.228 nan 8.280 nan 0.000 0.598 787 F N 0.411 120.342 119.950 -0.033 0.000 2.575 787 F HA 0.369 4.896 4.527 -0.001 0.000 0.330 787 F C 0.493 176.268 175.800 -0.042 0.000 1.056 787 F CA -1.384 56.618 58.000 0.002 0.000 0.964 787 F CB 1.626 40.646 39.000 0.034 0.000 1.258 787 F HN -0.169 nan 8.300 nan 0.000 0.484 788 S N 0.550 116.362 115.700 0.187 0.000 2.585 788 S HA 0.284 4.753 4.470 -0.001 0.000 0.277 788 S C -0.550 174.050 174.600 -0.001 0.000 1.241 788 S CA -1.034 57.200 58.200 0.057 0.000 1.041 788 S CB 1.241 64.460 63.200 0.033 0.000 0.987 788 S HN 0.383 nan 8.310 nan 0.000 0.512 789 K N 1.649 122.013 120.400 -0.061 0.000 2.414 789 K HA 0.061 4.381 4.320 -0.001 0.000 0.272 789 K C -0.238 176.264 176.600 -0.163 0.000 0.993 789 K CA 0.186 56.376 56.287 -0.162 0.000 0.964 789 K CB 0.095 32.502 32.500 -0.155 0.000 0.925 789 K HN 0.603 nan 8.250 nan 0.000 0.487 790 D N 1.102 121.333 120.400 -0.282 0.000 3.051 790 D HA -0.159 4.480 4.640 -0.001 0.000 0.218 790 D C -0.772 175.438 176.300 -0.149 0.000 1.129 790 D CA 0.869 54.757 54.000 -0.188 0.000 0.868 790 D CB -0.656 40.118 40.800 -0.045 0.000 1.100 790 D HN 0.593 nan 8.370 nan 0.000 0.429 791 D N 0.059 120.357 120.400 -0.170 0.000 2.428 791 D HA 0.140 4.780 4.640 -0.001 0.000 0.221 791 D C 0.085 176.307 176.300 -0.130 0.000 1.123 791 D CA -0.232 53.704 54.000 -0.106 0.000 0.869 791 D CB -0.106 40.622 40.800 -0.121 0.000 1.032 791 D HN 0.191 nan 8.370 nan 0.000 0.506 792 Y N 1.714 122.079 120.300 0.109 0.000 2.625 792 Y HA 0.109 4.658 4.550 -0.001 0.000 0.285 792 Y C 1.266 177.232 175.900 0.110 0.000 1.168 792 Y CA -0.562 57.616 58.100 0.131 0.000 1.250 792 Y CB 0.375 38.934 38.460 0.165 0.000 1.130 792 Y HN 0.276 nan 8.280 nan 0.000 0.526 793 S N -1.159 114.616 115.700 0.126 0.000 2.693 793 S HA 0.312 4.781 4.470 -0.001 0.000 0.276 793 S C -1.783 172.819 174.600 0.002 0.000 1.192 793 S CA -1.410 56.825 58.200 0.058 0.000 0.994 793 S CB 1.711 64.913 63.200 0.003 0.000 1.012 793 S HN -0.097 nan 8.310 nan 0.000 0.550 794 P HA -0.183 nan 4.420 nan 0.000 0.215 794 P C 1.329 178.668 177.300 0.066 0.000 1.163 794 P CA 1.624 64.737 63.100 0.021 0.000 0.894 794 P CB -0.050 31.579 31.700 -0.119 0.000 0.791 795 E N -0.998 119.226 120.200 0.041 0.000 2.442 795 E HA 0.010 4.359 4.350 -0.001 0.000 0.195 795 E C 1.818 178.489 176.600 0.119 0.000 1.030 795 E CA 0.596 57.083 56.400 0.144 0.000 0.869 795 E CB -0.889 28.945 29.700 0.224 0.000 0.857 795 E HN 0.143 nan 8.360 nan 0.000 0.505 796 S N 1.028 116.608 115.700 -0.198 0.000 2.428 796 S HA -0.030 4.439 4.470 -0.001 0.000 0.230 796 S C 1.213 175.835 174.600 0.036 0.000 1.014 796 S CA 0.593 58.583 58.200 -0.349 0.000 0.957 796 S CB -0.006 62.912 63.200 -0.471 0.000 0.784 796 S HN 0.194 nan 8.310 nan 0.000 0.499 797 K N 0.371 120.701 120.400 -0.116 0.000 2.896 797 K HA 0.326 4.646 4.320 -0.001 0.000 0.210 797 K C 0.334 176.724 176.600 -0.349 0.000 1.116 797 K CA 0.243 56.397 56.287 -0.222 0.000 1.050 797 K CB 0.684 33.107 32.500 -0.128 0.000 0.812 797 K HN 0.316 nan 8.250 nan 0.000 0.462 798 G N 1.859 110.302 108.800 -0.596 0.000 2.204 798 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.244 798 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.244 798 G C -0.430 174.400 174.900 -0.116 0.000 1.062 798 G CA -0.495 44.209 45.100 -0.660 0.000 0.798 798 G HN 0.431 nan 8.290 nan 0.000 0.496 799 F N 1.165 121.065 119.950 -0.084 0.000 2.424 799 F HA 0.544 5.070 4.527 -0.001 0.000 0.356 799 F C 0.678 176.515 175.800 0.061 0.000 1.110 799 F CA -0.803 57.194 58.000 -0.004 0.000 1.161 799 F CB 1.202 40.201 39.000 -0.002 0.000 1.115 799 F HN 0.027 nan 8.300 nan 0.000 0.507 800 V N 7.561 127.470 119.914 -0.009 0.000 2.372 800 V HA 0.036 4.155 4.120 -0.001 0.000 0.261 800 V C 1.058 177.282 176.094 0.216 0.000 1.055 800 V CA -0.177 62.180 62.300 0.094 0.000 0.930 800 V CB 0.911 32.688 31.823 -0.076 0.000 1.031 800 V HN 0.828 nan 8.190 nan 0.000 0.479 801 E N 3.885 124.320 120.200 0.392 0.000 2.031 801 E HA -0.087 4.262 4.350 -0.001 0.000 0.193 801 E C 0.952 177.668 176.600 0.193 0.000 0.994 801 E CA 0.924 57.549 56.400 0.375 0.000 0.800 801 E CB 0.226 30.038 29.700 0.186 0.000 0.752 801 E HN 0.724 nan 8.360 nan 0.000 0.447 802 N N 0.225 118.973 118.700 0.079 0.000 2.322 802 N HA 0.056 4.796 4.740 -0.001 0.000 0.270 802 N C 0.366 175.844 175.510 -0.052 0.000 1.286 802 N CA -0.015 53.042 53.050 0.012 0.000 0.948 802 N CB 0.725 39.205 38.487 -0.012 0.000 1.164 802 N HN -0.042 nan 8.380 nan 0.000 0.551 803 S N -0.568 115.099 115.700 -0.055 0.000 2.566 803 S HA 0.218 4.687 4.470 -0.001 0.000 0.277 803 S C 0.911 175.410 174.600 -0.169 0.000 1.150 803 S CA -0.411 57.745 58.200 -0.073 0.000 1.032 803 S CB -0.035 63.176 63.200 0.019 0.000 1.157 803 S HN 0.514 nan 8.310 nan 0.000 0.507 804 Y N -0.264 120.012 120.300 -0.040 0.000 2.490 804 Y HA 0.184 4.733 4.550 -0.001 0.000 0.285 804 Y C 1.980 177.861 175.900 -0.031 0.000 1.117 804 Y CA 0.134 58.210 58.100 -0.040 0.000 1.262 804 Y CB -0.106 38.331 38.460 -0.037 0.000 1.043 804 Y HN 0.367 nan 8.280 nan 0.000 0.553 805 L N 0.077 121.370 121.223 0.117 0.000 2.131 805 L HA -0.071 4.269 4.340 -0.001 0.000 0.206 805 L C 2.092 178.979 176.870 0.029 0.000 1.087 805 L CA 1.631 56.511 54.840 0.066 0.000 0.767 805 L CB -0.211 41.879 42.059 0.052 0.000 0.917 805 L HN -0.034 nan 8.230 nan 0.000 0.441 806 R N -0.240 120.267 120.500 0.013 0.000 2.119 806 R HA 0.315 4.655 4.340 -0.001 0.000 0.222 806 R C 0.458 176.747 176.300 -0.018 0.000 1.088 806 R CA 0.587 56.685 56.100 -0.002 0.000 0.984 806 R CB -0.197 30.101 30.300 -0.003 0.000 0.884 806 R HN 0.465 nan 8.270 nan 0.000 0.447 807 G N 0.360 109.138 108.800 -0.037 0.000 2.784 807 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.686 807 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.686 807 G C -1.400 173.447 174.900 -0.090 0.000 1.156 807 G CA -1.135 43.925 45.100 -0.067 0.000 0.757 807 G HN -0.014 nan 8.290 nan 0.000 0.642 808 L N 2.002 123.145 121.223 -0.134 0.000 2.290 808 L HA 0.512 4.852 4.340 -0.001 0.000 0.284 808 L C 1.413 178.255 176.870 -0.047 0.000 1.078 808 L CA 0.027 54.806 54.840 -0.101 0.000 0.815 808 L CB 1.179 43.164 42.059 -0.122 0.000 1.162 808 L HN 0.707 nan 8.230 nan 0.000 0.435 809 T N 5.994 120.563 114.554 0.025 0.000 2.901 809 T HA 0.115 4.464 4.350 -0.001 0.000 0.301 809 T C -1.513 173.238 174.700 0.084 0.000 1.012 809 T CA -0.996 61.131 62.100 0.045 0.000 1.135 809 T CB 0.631 69.544 68.868 0.076 0.000 0.936 809 T HN 0.464 nan 8.240 nan 0.000 0.539 810 P HA -0.307 nan 4.420 nan 0.000 0.222 810 P C 1.553 178.907 177.300 0.090 0.000 1.147 810 P CA 1.595 64.744 63.100 0.082 0.000 0.958 810 P CB 0.090 31.781 31.700 -0.015 0.000 0.788 811 Q N -0.272 119.546 119.800 0.029 0.000 2.065 811 Q HA -0.267 4.073 4.340 -0.001 0.000 0.213 811 Q C 2.255 178.219 176.000 -0.060 0.000 1.012 811 Q CA 2.334 58.120 55.803 -0.028 0.000 0.876 811 Q CB -0.698 28.127 28.738 0.146 0.000 0.954 811 Q HN 0.478 nan 8.270 nan 0.000 0.413 812 E N 0.104 120.438 120.200 0.224 0.000 2.085 812 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 812 E C 1.668 178.486 176.600 0.363 0.000 0.994 812 E CA 1.044 57.674 56.400 0.384 0.000 0.801 812 E CB -0.327 29.548 29.700 0.291 0.000 0.743 812 E HN 0.349 nan 8.360 nan 0.000 0.453 813 F N 0.484 120.503 119.950 0.115 0.000 2.043 813 F HA -0.323 4.203 4.527 -0.001 0.000 0.297 813 F C 2.178 178.104 175.800 0.210 0.000 1.121 813 F CA 0.886 58.977 58.000 0.152 0.000 1.199 813 F CB -0.085 38.975 39.000 0.100 0.000 0.968 813 F HN 0.037 nan 8.300 nan 0.000 0.478 814 F N 0.814 120.704 119.950 -0.100 0.000 2.161 814 F HA -0.225 4.301 4.527 -0.001 0.000 0.300 814 F C 1.862 177.610 175.800 -0.086 0.000 1.089 814 F CA 1.243 59.091 58.000 -0.255 0.000 1.282 814 F CB -1.217 37.607 39.000 -0.295 0.000 1.010 814 F HN 0.006 nan 8.300 nan 0.000 0.485 815 F N -1.022 118.974 119.950 0.078 0.000 2.075 815 F HA -0.279 4.247 4.527 -0.001 0.000 0.297 815 F C 2.739 178.558 175.800 0.030 0.000 1.113 815 F CA 1.443 59.438 58.000 -0.008 0.000 1.218 815 F CB -0.884 38.178 39.000 0.104 0.000 0.984 815 F HN 0.038 nan 8.300 nan 0.000 0.472 816 H N 0.561 119.769 119.070 0.231 0.000 2.352 816 H HA -0.137 4.418 4.556 -0.001 0.000 0.299 816 H C 2.075 177.450 175.328 0.078 0.000 1.097 816 H CA 1.345 57.486 56.048 0.155 0.000 1.311 816 H CB -0.580 29.308 29.762 0.210 0.000 1.377 816 H HN 0.163 nan 8.280 nan 0.000 0.504 817 A N 0.659 123.441 122.820 -0.064 0.000 1.903 817 A HA -0.283 4.036 4.320 -0.001 0.000 0.219 817 A C 2.602 180.077 177.584 -0.182 0.000 1.191 817 A CA 2.231 54.142 52.037 -0.209 0.000 0.638 817 A CB -0.854 18.008 19.000 -0.230 0.000 0.823 817 A HN 0.541 nan 8.150 nan 0.000 0.451 818 M N -1.045 118.441 119.600 -0.191 0.000 2.200 818 M HA -0.104 4.376 4.480 -0.001 0.000 0.261 818 M C 2.436 178.677 176.300 -0.098 0.000 1.074 818 M CA 1.733 56.926 55.300 -0.179 0.000 1.098 818 M CB -0.985 31.500 32.600 -0.191 0.000 1.268 818 M HN 0.479 nan 8.290 nan 0.000 0.432 819 G N -0.238 108.533 108.800 -0.048 0.000 2.545 819 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.222 819 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.222 819 G C 1.419 176.286 174.900 -0.054 0.000 1.126 819 G CA 1.327 46.414 45.100 -0.021 0.000 0.754 819 G HN 0.621 nan 8.290 nan 0.000 0.583 820 G N 0.835 109.554 108.800 -0.134 0.000 2.545 820 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.217 820 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.217 820 G C 1.788 176.635 174.900 -0.090 0.000 1.218 820 G CA 1.425 46.425 45.100 -0.167 0.000 0.787 820 G HN 0.515 nan 8.290 nan 0.000 0.571 821 R N 0.768 121.216 120.500 -0.086 0.000 2.112 821 R HA -0.169 4.171 4.340 -0.001 0.000 0.242 821 R C 2.444 178.719 176.300 -0.042 0.000 1.137 821 R CA 2.367 58.433 56.100 -0.056 0.000 0.944 821 R CB -0.829 29.439 30.300 -0.053 0.000 0.857 821 R HN 0.546 nan 8.270 nan 0.000 0.435 822 E N -1.241 118.934 120.200 -0.042 0.000 2.171 822 E HA -0.179 4.170 4.350 -0.001 0.000 0.197 822 E C 1.735 178.320 176.600 -0.024 0.000 0.997 822 E CA 1.404 57.785 56.400 -0.031 0.000 0.810 822 E CB -0.444 29.239 29.700 -0.030 0.000 0.738 822 E HN 0.595 nan 8.360 nan 0.000 0.467 823 G N 1.076 109.864 108.800 -0.021 0.000 2.433 823 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.216 823 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.216 823 G C 1.548 176.441 174.900 -0.011 0.000 1.186 823 G CA 0.769 45.863 45.100 -0.010 0.000 0.779 823 G HN 0.203 nan 8.290 nan 0.000 0.543 824 L N 0.357 121.570 121.223 -0.015 0.000 1.994 824 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 824 L C 2.877 179.739 176.870 -0.014 0.000 1.071 824 L CA 0.542 55.374 54.840 -0.013 0.000 0.745 824 L CB -0.455 41.595 42.059 -0.015 0.000 0.892 824 L HN 0.109 nan 8.230 nan 0.000 0.431 825 I N 0.749 121.308 120.570 -0.018 0.000 2.074 825 I HA -0.343 3.826 4.170 -0.001 0.000 0.238 825 I C 1.798 177.905 176.117 -0.017 0.000 1.037 825 I CA 2.019 63.308 61.300 -0.018 0.000 1.301 825 I CB -1.351 36.636 38.000 -0.021 0.000 1.016 825 I HN 0.526 nan 8.210 nan 0.000 0.400 826 D N -0.597 119.792 120.400 -0.019 0.000 2.413 826 D HA -0.037 4.602 4.640 -0.001 0.000 0.237 826 D C 1.405 177.697 176.300 -0.014 0.000 1.171 826 D CA 0.248 54.237 54.000 -0.019 0.000 0.839 826 D CB 0.031 40.816 40.800 -0.026 0.000 0.950 826 D HN 0.200 nan 8.370 nan 0.000 0.499 827 T N -0.297 114.250 114.554 -0.011 0.000 2.914 827 T HA 0.157 4.506 4.350 -0.001 0.000 0.240 827 T C 1.616 176.312 174.700 -0.007 0.000 1.025 827 T CA 1.102 63.197 62.100 -0.008 0.000 1.198 827 T CB -0.302 68.562 68.868 -0.005 0.000 0.892 827 T HN 0.283 nan 8.240 nan 0.000 0.417 828 A N 0.748 123.563 122.820 -0.008 0.000 1.992 828 A HA 0.249 4.568 4.320 -0.001 0.000 0.203 828 A C 1.347 178.926 177.584 -0.009 0.000 1.420 828 A CA 0.621 52.653 52.037 -0.009 0.000 1.302 828 A CB -0.727 18.267 19.000 -0.010 0.000 0.726 828 A HN 0.411 nan 8.150 nan 0.000 0.565 829 V N -1.880 118.030 119.914 -0.008 0.000 3.273 829 V HA 0.015 4.135 4.120 -0.001 0.000 0.208 829 V C 2.027 178.121 176.094 -0.000 0.000 1.464 829 V CA 0.835 63.131 62.300 -0.006 0.000 1.270 829 V CB -0.092 31.725 31.823 -0.010 0.000 1.161 829 V HN 0.586 nan 8.190 nan 0.000 0.512 830 K N 0.933 121.331 120.400 -0.003 0.000 2.097 830 K HA -0.175 4.144 4.320 -0.001 0.000 0.205 830 K C 1.946 178.549 176.600 0.006 0.000 1.050 830 K CA 2.252 58.539 56.287 -0.000 0.000 0.938 830 K CB -0.205 32.291 32.500 -0.007 0.000 0.718 830 K HN 0.696 nan 8.250 nan 0.000 0.442 831 T N -0.407 114.149 114.554 0.003 0.000 2.622 831 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 831 T C 2.149 176.858 174.700 0.015 0.000 1.047 831 T CA 1.363 63.465 62.100 0.005 0.000 1.159 831 T CB -0.732 68.136 68.868 -0.000 0.000 0.863 831 T HN 0.267 nan 8.240 nan 0.000 0.422 832 A N 2.088 124.915 122.820 0.012 0.000 1.892 832 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 832 A C 2.473 180.085 177.584 0.046 0.000 1.188 832 A CA 1.880 53.927 52.037 0.015 0.000 0.631 832 A CB -0.746 18.253 19.000 -0.001 0.000 0.822 832 A HN 0.556 nan 8.150 nan 0.000 0.447 833 E N -0.648 119.581 120.200 0.048 0.000 2.031 833 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 833 E C 2.263 178.922 176.600 0.097 0.000 0.994 833 E CA 1.784 58.235 56.400 0.084 0.000 0.800 833 E CB -0.813 28.920 29.700 0.055 0.000 0.752 833 E HN 0.648 nan 8.360 nan 0.000 0.447 834 T N 0.548 115.134 114.554 0.054 0.000 2.597 834 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 834 T C 1.840 176.575 174.700 0.058 0.000 1.053 834 T CA 1.658 63.781 62.100 0.038 0.000 1.165 834 T CB -0.729 68.147 68.868 0.013 0.000 0.863 834 T HN 0.377 nan 8.240 nan 0.000 0.427 835 G N -0.771 108.070 108.800 0.068 0.000 2.708 835 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.210 835 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.210 835 G C 1.116 176.116 174.900 0.168 0.000 1.141 835 G CA 0.193 45.341 45.100 0.080 0.000 0.788 835 G HN 0.496 nan 8.290 nan 0.000 0.531 836 Y N 0.320 120.628 120.300 0.013 0.000 2.353 836 Y HA 0.247 4.797 4.550 -0.001 0.000 0.294 836 Y C 2.283 178.212 175.900 0.047 0.000 1.135 836 Y CA -0.434 57.684 58.100 0.029 0.000 1.176 836 Y CB -0.164 38.311 38.460 0.025 0.000 1.124 836 Y HN 0.099 nan 8.280 nan 0.000 0.537 837 I N 0.803 121.362 120.570 -0.018 0.000 2.208 837 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 837 I C 2.664 178.735 176.117 -0.076 0.000 1.097 837 I CA 1.494 62.730 61.300 -0.108 0.000 1.363 837 I CB -0.740 37.232 38.000 -0.047 0.000 1.051 837 I HN 0.282 nan 8.210 nan 0.000 0.413 838 Q N 0.628 120.415 119.800 -0.022 0.000 2.002 838 Q HA -0.266 4.074 4.340 -0.001 0.000 0.204 838 Q C 2.531 178.525 176.000 -0.009 0.000 0.988 838 Q CA 1.909 57.700 55.803 -0.020 0.000 0.843 838 Q CB -0.283 28.453 28.738 -0.004 0.000 0.908 838 Q HN 0.420 nan 8.270 nan 0.000 0.420 839 R N -0.143 120.383 120.500 0.044 0.000 2.091 839 R HA -0.142 4.198 4.340 -0.001 0.000 0.238 839 R C 2.460 178.822 176.300 0.103 0.000 1.136 839 R CA 1.632 57.792 56.100 0.100 0.000 0.959 839 R CB 0.004 30.419 30.300 0.191 0.000 0.856 839 R HN 0.186 nan 8.270 nan 0.000 0.437 840 R N 0.123 120.637 120.500 0.024 0.000 2.070 840 R HA -0.071 4.268 4.340 -0.001 0.000 0.233 840 R C 2.412 178.614 176.300 -0.164 0.000 1.137 840 R CA 1.400 57.505 56.100 0.007 0.000 0.945 840 R CB -0.434 29.765 30.300 -0.169 0.000 0.845 840 R HN 0.232 nan 8.270 nan 0.000 0.430 841 L N 0.425 121.552 121.223 -0.159 0.000 2.129 841 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 841 L C 2.211 178.970 176.870 -0.185 0.000 1.087 841 L CA 1.144 55.872 54.840 -0.187 0.000 0.757 841 L CB -0.292 41.693 42.059 -0.124 0.000 0.896 841 L HN 0.137 nan 8.230 nan 0.000 0.434 842 V N -0.912 118.933 119.914 -0.114 0.000 2.302 842 V HA -0.172 3.948 4.120 -0.001 0.000 0.243 842 V C 2.120 178.152 176.094 -0.104 0.000 1.036 842 V CA 1.245 63.497 62.300 -0.080 0.000 1.020 842 V CB -0.330 31.483 31.823 -0.016 0.000 0.657 842 V HN 0.255 nan 8.190 nan 0.000 0.453 843 K N 0.378 120.732 120.400 -0.076 0.000 2.616 843 K HA 0.116 4.436 4.320 -0.001 0.000 0.192 843 K C 1.216 177.638 176.600 -0.295 0.000 1.031 843 K CA 0.842 57.091 56.287 -0.064 0.000 1.004 843 K CB -0.248 32.338 32.500 0.145 0.000 0.810 843 K HN 0.501 nan 8.250 nan 0.000 0.497 844 A N -0.755 121.745 122.820 -0.534 0.000 2.456 844 A HA 0.231 4.550 4.320 -0.001 0.000 0.237 844 A C 1.198 178.492 177.584 -0.483 0.000 1.217 844 A CA -0.128 51.307 52.037 -1.004 0.000 0.962 844 A CB 0.436 18.568 19.000 -1.446 0.000 1.079 844 A HN 0.213 nan 8.150 nan 0.000 0.536 845 L N -1.768 119.293 121.223 -0.271 0.000 3.174 845 L HA 0.267 4.607 4.340 -0.001 0.000 0.283 845 L C 1.572 178.390 176.870 -0.087 0.000 1.187 845 L CA 0.407 55.156 54.840 -0.152 0.000 1.018 845 L CB -0.065 41.919 42.059 -0.125 0.000 1.433 845 L HN 0.408 nan 8.230 nan 0.000 0.593 846 E N 2.332 122.481 120.200 -0.085 0.000 2.535 846 E HA -0.372 3.977 4.350 -0.001 0.000 0.249 846 E C 0.762 177.351 176.600 -0.018 0.000 1.106 846 E CA 2.743 59.121 56.400 -0.037 0.000 1.212 846 E CB -0.051 29.641 29.700 -0.012 0.000 1.058 846 E HN 0.771 nan 8.360 nan 0.000 0.469 847 D N -0.779 119.614 120.400 -0.011 0.000 2.433 847 D HA 0.038 4.677 4.640 -0.001 0.000 0.211 847 D C 0.557 176.865 176.300 0.013 0.000 1.114 847 D CA -0.209 53.795 54.000 0.007 0.000 0.837 847 D CB 0.017 40.830 40.800 0.021 0.000 0.984 847 D HN 0.124 nan 8.370 nan 0.000 0.505 848 I N 2.792 123.359 120.570 -0.005 0.000 2.576 848 I HA 0.116 4.285 4.170 -0.001 0.000 0.288 848 I C 0.657 176.782 176.117 0.013 0.000 1.126 848 I CA 0.345 61.643 61.300 -0.003 0.000 1.362 848 I CB -0.342 37.647 38.000 -0.017 0.000 1.419 848 I HN 0.100 nan 8.210 nan 0.000 0.533 849 M N 5.677 125.303 119.600 0.045 0.000 2.644 849 M HA 0.678 5.158 4.480 -0.001 0.000 0.304 849 M C -1.001 175.350 176.300 0.084 0.000 1.215 849 M CA -0.899 54.425 55.300 0.040 0.000 0.871 849 M CB 2.103 34.723 32.600 0.034 0.000 1.740 849 M HN 0.019 nan 8.290 nan 0.000 0.464 850 V N 2.097 122.007 119.914 -0.006 0.000 2.488 850 V HA 0.257 4.376 4.120 -0.001 0.000 0.277 850 V C 0.231 176.361 176.094 0.059 0.000 1.046 850 V CA -0.189 62.110 62.300 -0.001 0.000 0.986 850 V CB -0.165 31.579 31.823 -0.132 0.000 0.989 850 V HN 0.791 nan 8.190 nan 0.000 0.475 851 H N 2.534 121.551 119.070 -0.088 0.000 2.497 851 H HA 0.272 4.828 4.556 -0.001 0.000 0.348 851 H C -0.483 174.782 175.328 -0.106 0.000 1.335 851 H CA -0.582 55.427 56.048 -0.065 0.000 1.395 851 H CB 1.160 30.937 29.762 0.026 0.000 1.658 851 H HN 0.591 nan 8.280 nan 0.000 0.613 852 Y N 1.144 121.519 120.300 0.125 0.000 2.581 852 Y HA -0.049 4.500 4.550 -0.001 0.000 0.346 852 Y C 0.446 176.387 175.900 0.068 0.000 1.147 852 Y CA 0.090 58.229 58.100 0.064 0.000 1.353 852 Y CB -0.053 38.427 38.460 0.033 0.000 1.187 852 Y HN 0.528 nan 8.280 nan 0.000 0.505 853 D N -3.501 117.004 120.400 0.176 0.000 2.538 853 D HA 0.023 4.662 4.640 -0.001 0.000 0.241 853 D C 0.284 176.636 176.300 0.086 0.000 1.297 853 D CA -0.064 54.012 54.000 0.126 0.000 0.804 853 D CB -0.521 40.353 40.800 0.125 0.000 1.122 853 D HN 0.097 nan 8.370 nan 0.000 0.519 854 N N -0.200 118.538 118.700 0.063 0.000 2.900 854 N HA -0.174 4.565 4.740 -0.001 0.000 0.240 854 N C 0.005 175.555 175.510 0.067 0.000 0.953 854 N CA 1.484 54.559 53.050 0.042 0.000 0.950 854 N CB -1.603 36.901 38.487 0.029 0.000 1.102 854 N HN 0.455 nan 8.380 nan 0.000 0.593 855 T N 0.351 114.943 114.554 0.063 0.000 2.849 855 T HA 0.383 4.732 4.350 -0.001 0.000 0.284 855 T C 0.069 174.751 174.700 -0.030 0.000 1.004 855 T CA 0.365 62.478 62.100 0.023 0.000 1.021 855 T CB 0.866 69.731 68.868 -0.005 0.000 1.013 855 T HN 0.126 nan 8.240 nan 0.000 0.527 856 T N 4.467 118.970 114.554 -0.086 0.000 2.786 856 T HA 0.596 4.946 4.350 -0.001 0.000 0.283 856 T C -0.330 174.257 174.700 -0.188 0.000 0.992 856 T CA -0.730 61.319 62.100 -0.084 0.000 0.954 856 T CB 0.888 69.765 68.868 0.015 0.000 0.934 856 T HN 0.548 nan 8.240 nan 0.000 0.440 857 R N 2.096 122.445 120.500 -0.252 0.000 2.912 857 R HA 0.647 4.986 4.340 -0.001 0.000 0.262 857 R C -0.159 176.055 176.300 -0.144 0.000 1.057 857 R CA -1.106 54.813 56.100 -0.301 0.000 0.981 857 R CB 1.174 31.090 30.300 -0.640 0.000 1.201 857 R HN 0.667 nan 8.270 nan 0.000 0.484 858 N N -1.071 117.571 118.700 -0.097 0.000 2.992 858 N HA 0.240 4.979 4.740 -0.001 0.000 0.338 858 N C 0.364 175.885 175.510 0.019 0.000 1.376 858 N CA -0.730 52.307 53.050 -0.022 0.000 0.778 858 N CB -0.349 38.124 38.487 -0.023 0.000 1.232 858 N HN 0.276 nan 8.380 nan 0.000 0.581 859 S N -0.277 115.440 115.700 0.028 0.000 2.354 859 S HA -0.031 4.439 4.470 -0.001 0.000 0.219 859 S C 1.831 176.451 174.600 0.033 0.000 1.035 859 S CA 1.249 59.473 58.200 0.040 0.000 1.037 859 S CB -0.853 62.369 63.200 0.037 0.000 0.956 859 S HN 0.447 nan 8.310 nan 0.000 0.428 860 L N 0.713 121.947 121.223 0.017 0.000 2.197 860 L HA -0.124 4.215 4.340 -0.001 0.000 0.215 860 L C 1.889 178.761 176.870 0.003 0.000 1.095 860 L CA 1.046 55.892 54.840 0.010 0.000 0.764 860 L CB -1.163 40.896 42.059 0.001 0.000 0.897 860 L HN 0.643 nan 8.230 nan 0.000 0.436 861 G N -0.379 108.411 108.800 -0.017 0.000 2.132 861 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.234 861 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.234 861 G C -0.018 174.828 174.900 -0.090 0.000 0.989 861 G CA -0.134 44.934 45.100 -0.054 0.000 0.676 861 G HN 0.379 nan 8.290 nan 0.000 0.522 862 N N 0.188 118.838 118.700 -0.084 0.000 2.492 862 N HA 0.279 5.018 4.740 -0.001 0.000 0.262 862 N C 0.816 176.221 175.510 -0.175 0.000 1.202 862 N CA 0.018 53.005 53.050 -0.105 0.000 0.926 862 N CB 1.518 39.958 38.487 -0.079 0.000 1.078 862 N HN 0.127 nan 8.380 nan 0.000 0.454 863 V N 3.279 123.053 119.914 -0.234 0.000 2.655 863 V HA -0.018 4.101 4.120 -0.001 0.000 0.300 863 V C 1.557 177.443 176.094 -0.347 0.000 1.044 863 V CA 0.174 62.244 62.300 -0.384 0.000 1.095 863 V CB 0.427 31.842 31.823 -0.680 0.000 0.952 863 V HN 0.535 nan 8.190 nan 0.000 0.485 864 I N 2.490 122.873 120.570 -0.313 0.000 3.443 864 I HA 0.185 4.355 4.170 -0.001 0.000 0.277 864 I C 0.601 176.580 176.117 -0.230 0.000 1.169 864 I CA 0.643 61.811 61.300 -0.219 0.000 1.419 864 I CB -0.477 37.440 38.000 -0.138 0.000 1.331 864 I HN 0.786 nan 8.210 nan 0.000 0.458 865 Q N -0.343 119.315 119.800 -0.235 0.000 2.315 865 Q HA 0.430 4.770 4.340 -0.001 0.000 0.273 865 Q C -0.651 175.264 176.000 -0.141 0.000 1.053 865 Q CA -0.606 55.103 55.803 -0.155 0.000 0.817 865 Q CB 1.771 30.471 28.738 -0.064 0.000 1.326 865 Q HN -0.049 nan 8.270 nan 0.000 0.423 866 F N 1.268 121.206 119.950 -0.020 0.000 2.502 866 F HA 0.189 4.716 4.527 -0.001 0.000 0.298 866 F C 0.551 176.353 175.800 0.003 0.000 1.111 866 F CA 0.560 58.554 58.000 -0.010 0.000 1.445 866 F CB 0.405 39.399 39.000 -0.010 0.000 1.081 866 F HN 0.402 nan 8.300 nan 0.000 0.558 867 I N -1.333 119.339 120.570 0.170 0.000 2.529 867 I HA 0.112 4.281 4.170 -0.001 0.000 0.284 867 I C -0.883 175.284 176.117 0.082 0.000 1.088 867 I CA -1.295 60.072 61.300 0.112 0.000 1.062 867 I CB 0.927 38.979 38.000 0.088 0.000 1.218 867 I HN -0.208 nan 8.210 nan 0.000 0.442 868 Y N 6.479 126.777 120.300 -0.003 0.000 2.944 868 Y HA 0.121 4.670 4.550 -0.001 0.000 0.340 868 Y C 1.429 177.325 175.900 -0.007 0.000 1.275 868 Y CA 1.185 59.274 58.100 -0.018 0.000 1.590 868 Y CB 0.277 38.719 38.460 -0.031 0.000 1.218 868 Y HN 0.900 nan 8.280 nan 0.000 0.576 869 G N 5.812 114.139 108.800 -0.788 0.000 2.393 869 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.299 869 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.299 869 G C 0.375 175.156 174.900 -0.198 0.000 0.990 869 G CA 0.606 45.343 45.100 -0.606 0.000 1.118 869 G HN 1.046 nan 8.290 nan 0.000 0.513 870 E N -1.462 118.684 120.200 -0.091 0.000 3.208 870 E HA -0.367 3.982 4.350 -0.001 0.000 0.277 870 E C 1.092 177.692 176.600 -0.001 0.000 0.989 870 E CA 1.562 57.958 56.400 -0.007 0.000 0.850 870 E CB -0.603 29.114 29.700 0.029 0.000 1.429 870 E HN 0.916 nan 8.360 nan 0.000 0.463 871 D N -1.660 118.734 120.400 -0.009 0.000 2.292 871 D HA 0.098 4.737 4.640 -0.001 0.000 0.322 871 D C 1.121 177.433 176.300 0.021 0.000 1.087 871 D CA 0.760 54.772 54.000 0.020 0.000 0.857 871 D CB -0.045 40.775 40.800 0.033 0.000 1.445 871 D HN 0.318 nan 8.370 nan 0.000 0.528 872 G N 1.142 109.964 108.800 0.037 0.000 2.149 872 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.235 872 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.235 872 G C -0.330 174.567 174.900 -0.006 0.000 1.018 872 G CA 0.413 45.541 45.100 0.048 0.000 0.728 872 G HN 0.346 nan 8.290 nan 0.000 0.508 873 M N 1.024 120.656 119.600 0.052 0.000 2.190 873 M HA 0.468 4.948 4.480 -0.001 0.000 0.312 873 M C -0.351 176.014 176.300 0.108 0.000 0.990 873 M CA -1.099 54.190 55.300 -0.019 0.000 0.927 873 M CB 1.581 34.158 32.600 -0.039 0.000 1.571 873 M HN 0.159 nan 8.290 nan 0.000 0.427 874 D N 3.274 123.688 120.400 0.023 0.000 2.389 874 D HA 0.250 4.889 4.640 -0.001 0.000 0.263 874 D C 1.103 177.514 176.300 0.185 0.000 1.255 874 D CA 0.599 54.660 54.000 0.101 0.000 0.914 874 D CB 0.983 41.816 40.800 0.055 0.000 1.116 874 D HN 0.739 nan 8.370 nan 0.000 0.502 875 A N 4.412 127.354 122.820 0.202 0.000 2.023 875 A HA -0.262 4.057 4.320 -0.001 0.000 0.223 875 A C 2.168 179.862 177.584 0.183 0.000 1.180 875 A CA 2.264 54.402 52.037 0.168 0.000 0.659 875 A CB -0.846 18.224 19.000 0.116 0.000 0.817 875 A HN 0.728 nan 8.150 nan 0.000 0.466 876 A N -1.584 121.355 122.820 0.199 0.000 2.070 876 A HA -0.118 4.201 4.320 -0.001 0.000 0.220 876 A C 1.329 178.930 177.584 0.027 0.000 1.159 876 A CA 1.049 53.157 52.037 0.117 0.000 0.656 876 A CB -0.626 18.424 19.000 0.083 0.000 0.800 876 A HN 0.739 nan 8.150 nan 0.000 0.453 877 H N -1.342 117.767 119.070 0.066 0.000 2.499 877 H HA 0.488 5.044 4.556 -0.001 0.000 0.262 877 H C -1.370 174.015 175.328 0.096 0.000 1.363 877 H CA -0.287 55.796 56.048 0.058 0.000 1.072 877 H CB -0.141 29.628 29.762 0.012 0.000 1.602 877 H HN 0.257 nan 8.280 nan 0.000 0.526 878 I N 1.016 121.718 120.570 0.220 0.000 2.686 878 I HA 0.165 4.335 4.170 -0.001 0.000 0.295 878 I C -0.587 175.678 176.117 0.246 0.000 1.114 878 I CA -0.319 61.116 61.300 0.225 0.000 1.038 878 I CB 2.989 41.116 38.000 0.211 0.000 1.238 878 I HN 0.172 nan 8.210 nan 0.000 0.420 879 E N 4.413 124.740 120.200 0.212 0.000 2.331 879 E HA 0.356 4.706 4.350 -0.001 0.000 0.275 879 E C -1.295 175.380 176.600 0.124 0.000 0.895 879 E CA -1.166 55.322 56.400 0.146 0.000 0.753 879 E CB 2.123 31.902 29.700 0.131 0.000 1.216 879 E HN 0.450 nan 8.360 nan 0.000 0.434 880 K N 2.544 122.984 120.400 0.067 0.000 2.489 880 K HA 0.077 4.396 4.320 -0.001 0.000 0.278 880 K C -0.506 176.106 176.600 0.020 0.000 1.000 880 K CA 0.240 56.544 56.287 0.027 0.000 1.012 880 K CB 0.678 33.136 32.500 -0.070 0.000 0.903 880 K HN 0.438 nan 8.250 nan 0.000 0.485 881 Q N 1.594 121.411 119.800 0.029 0.000 2.315 881 Q HA 0.167 4.506 4.340 -0.001 0.000 0.273 881 Q C -1.085 174.911 176.000 -0.006 0.000 1.053 881 Q CA -0.864 54.956 55.803 0.028 0.000 0.817 881 Q CB 2.504 31.287 28.738 0.076 0.000 1.326 881 Q HN 0.908 nan 8.270 nan 0.000 0.423 882 S N 1.569 117.259 115.700 -0.016 0.000 2.580 882 S HA 0.306 4.776 4.470 -0.001 0.000 0.274 882 S C 0.489 175.103 174.600 0.023 0.000 1.329 882 S CA -0.644 57.540 58.200 -0.027 0.000 1.036 882 S CB 0.635 63.821 63.200 -0.023 0.000 0.919 882 S HN 0.724 nan 8.310 nan 0.000 0.515 883 L N 1.074 122.314 121.223 0.029 0.000 2.640 883 L HA 0.142 4.481 4.340 -0.001 0.000 0.230 883 L C 1.157 178.081 176.870 0.091 0.000 1.123 883 L CA 0.281 55.158 54.840 0.062 0.000 0.900 883 L CB -0.398 41.701 42.059 0.067 0.000 1.146 883 L HN 0.794 nan 8.230 nan 0.000 0.484 884 D N 0.475 120.940 120.400 0.108 0.000 2.203 884 D HA -0.195 4.444 4.640 -0.001 0.000 0.199 884 D C 1.713 178.097 176.300 0.140 0.000 0.997 884 D CA 1.513 55.582 54.000 0.116 0.000 0.863 884 D CB 0.231 41.117 40.800 0.142 0.000 0.928 884 D HN 0.250 nan 8.370 nan 0.000 0.458 885 T N 0.934 115.580 114.554 0.153 0.000 2.856 885 T HA -0.254 4.096 4.350 -0.001 0.000 0.260 885 T C 1.914 176.673 174.700 0.098 0.000 1.043 885 T CA 0.723 62.907 62.100 0.140 0.000 1.155 885 T CB -0.051 68.853 68.868 0.061 0.000 0.825 885 T HN 0.258 nan 8.240 nan 0.000 0.503 886 I N 0.783 121.418 120.570 0.108 0.000 2.060 886 I HA -0.017 4.152 4.170 -0.001 0.000 0.233 886 I C 2.190 178.403 176.117 0.161 0.000 1.054 886 I CA 1.337 62.713 61.300 0.125 0.000 1.318 886 I CB -1.585 36.484 38.000 0.115 0.000 1.054 886 I HN 0.355 nan 8.210 nan 0.000 0.395 887 G N -0.784 108.100 108.800 0.140 0.000 2.525 887 G HA2 0.400 4.359 3.960 -0.001 0.000 0.276 887 G HA3 0.400 4.359 3.960 -0.001 0.000 0.276 887 G C 0.212 175.213 174.900 0.169 0.000 1.388 887 G CA 0.414 45.621 45.100 0.179 0.000 1.050 887 G HN 0.780 nan 8.290 nan 0.000 0.520 888 G N -1.730 107.161 108.800 0.152 0.000 2.846 888 G HA2 0.229 4.189 3.960 -0.001 0.000 0.660 888 G HA3 0.229 4.189 3.960 -0.001 0.000 0.660 888 G C 0.301 175.270 174.900 0.115 0.000 1.464 888 G CA 0.396 45.572 45.100 0.126 0.000 0.891 888 G HN 1.993 nan 8.290 nan 0.000 0.552 889 S N -0.346 115.415 115.700 0.101 0.000 2.614 889 S HA 0.480 4.950 4.470 -0.001 0.000 0.265 889 S C 0.974 175.647 174.600 0.122 0.000 1.303 889 S CA 0.440 58.688 58.200 0.081 0.000 1.000 889 S CB 1.660 64.900 63.200 0.066 0.000 0.935 889 S HN 0.594 nan 8.310 nan 0.000 0.551 890 D N 1.244 121.696 120.400 0.087 0.000 2.178 890 D HA -0.044 4.595 4.640 -0.001 0.000 0.201 890 D C 2.187 178.608 176.300 0.200 0.000 0.980 890 D CA 1.548 55.627 54.000 0.131 0.000 0.842 890 D CB -0.684 40.152 40.800 0.060 0.000 0.948 890 D HN 0.704 nan 8.370 nan 0.000 0.472 891 A N 1.361 124.262 122.820 0.136 0.000 1.883 891 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 891 A C 2.361 180.031 177.584 0.143 0.000 1.186 891 A CA 2.293 54.405 52.037 0.126 0.000 0.624 891 A CB -0.740 18.309 19.000 0.081 0.000 0.822 891 A HN 0.240 nan 8.150 nan 0.000 0.444 892 A N -1.813 121.092 122.820 0.142 0.000 2.019 892 A HA -0.039 4.281 4.320 -0.001 0.000 0.219 892 A C 2.006 179.710 177.584 0.200 0.000 1.164 892 A CA 1.583 53.703 52.037 0.138 0.000 0.644 892 A CB -0.618 18.456 19.000 0.124 0.000 0.805 892 A HN 0.658 nan 8.150 nan 0.000 0.449 893 F N 0.135 120.152 119.950 0.110 0.000 2.234 893 F HA 0.042 4.568 4.527 -0.001 0.000 0.296 893 F C 2.010 177.938 175.800 0.214 0.000 1.089 893 F CA 1.550 59.642 58.000 0.153 0.000 1.343 893 F CB 0.063 39.112 39.000 0.081 0.000 1.040 893 F HN 0.309 nan 8.300 nan 0.000 0.498 894 E N 0.256 120.630 120.200 0.290 0.000 2.502 894 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 894 E C 0.757 177.456 176.600 0.165 0.000 1.062 894 E CA 0.157 56.717 56.400 0.266 0.000 0.867 894 E CB 0.047 29.917 29.700 0.284 0.000 0.888 894 E HN 0.187 nan 8.360 nan 0.000 0.510 895 K N 0.547 121.004 120.400 0.095 0.000 3.135 895 K HA 0.145 4.465 4.320 -0.001 0.000 0.210 895 K C 0.597 177.169 176.600 -0.046 0.000 1.176 895 K CA -0.121 56.186 56.287 0.034 0.000 1.064 895 K CB 0.403 32.919 32.500 0.027 0.000 1.009 895 K HN -0.097 nan 8.250 nan 0.000 0.472 896 R N -0.723 119.715 120.500 -0.104 0.000 2.570 896 R HA 0.082 4.422 4.340 -0.001 0.000 0.203 896 R C 0.044 175.993 176.300 -0.585 0.000 0.968 896 R CA 0.433 56.345 56.100 -0.313 0.000 1.514 896 R CB 0.536 30.683 30.300 -0.255 0.000 1.719 896 R HN 0.196 nan 8.270 nan 0.000 0.503 897 Y N -0.671 119.469 120.300 -0.266 0.000 2.590 897 Y HA 0.357 4.907 4.550 -0.001 0.000 0.263 897 Y C 0.309 176.237 175.900 0.047 0.000 1.069 897 Y CA -0.450 57.505 58.100 -0.242 0.000 1.242 897 Y CB 0.788 38.884 38.460 -0.606 0.000 1.357 897 Y HN -0.280 nan 8.280 nan 0.000 0.556 898 R N 1.905 122.579 120.500 0.290 0.000 2.220 898 R HA 0.410 4.750 4.340 -0.001 0.000 0.340 898 R C -1.324 175.064 176.300 0.147 0.000 1.076 898 R CA -0.328 55.958 56.100 0.310 0.000 0.920 898 R CB -0.080 30.355 30.300 0.225 0.000 1.062 898 R HN -0.060 nan 8.270 nan 0.000 0.469 899 V N 5.168 125.153 119.914 0.119 0.000 2.240 899 V HA 0.183 4.303 4.120 -0.001 0.000 0.265 899 V C -0.152 175.961 176.094 0.032 0.000 1.073 899 V CA -0.701 61.638 62.300 0.064 0.000 0.857 899 V CB 0.929 32.778 31.823 0.043 0.000 1.114 899 V HN 0.605 nan 8.190 nan 0.000 0.469 900 D N 4.102 124.519 120.400 0.028 0.000 2.479 900 D HA 0.281 4.921 4.640 -0.001 0.000 0.218 900 D C 1.187 177.492 176.300 0.007 0.000 1.131 900 D CA -0.137 53.850 54.000 -0.020 0.000 0.916 900 D CB 1.199 41.942 40.800 -0.095 0.000 1.022 900 D HN 0.396 nan 8.370 nan 0.000 0.515 901 L N 2.493 123.716 121.223 0.000 0.000 2.127 901 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 901 L C 2.231 179.100 176.870 -0.001 0.000 1.089 901 L CA 0.821 55.662 54.840 0.002 0.000 0.757 901 L CB -0.264 41.793 42.059 -0.004 0.000 0.899 901 L HN 0.381 nan 8.230 nan 0.000 0.434 902 L N -0.582 120.634 121.223 -0.013 0.000 2.093 902 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 902 L C 1.268 178.131 176.870 -0.011 0.000 1.085 902 L CA 0.557 55.388 54.840 -0.017 0.000 0.755 902 L CB -0.529 41.513 42.059 -0.029 0.000 0.904 902 L HN 0.267 nan 8.230 nan 0.000 0.435 903 N N 0.021 118.715 118.700 -0.010 0.000 2.411 903 N HA -0.046 4.693 4.740 -0.001 0.000 0.259 903 N C 0.905 176.453 175.510 0.063 0.000 1.103 903 N CA 0.282 53.342 53.050 0.016 0.000 0.954 903 N CB 1.330 39.802 38.487 -0.024 0.000 1.085 903 N HN -0.103 nan 8.380 nan 0.000 0.485 904 T N 1.801 116.384 114.554 0.048 0.000 3.139 904 T HA -0.067 4.283 4.350 -0.001 0.000 0.267 904 T C 0.352 175.080 174.700 0.047 0.000 1.164 904 T CA 1.277 63.400 62.100 0.037 0.000 1.075 904 T CB 0.060 68.940 68.868 0.020 0.000 0.904 904 T HN 0.484 nan 8.240 nan 0.000 0.540 905 D N -0.779 119.685 120.400 0.108 0.000 2.379 905 D HA 0.128 4.767 4.640 -0.001 0.000 0.218 905 D C 0.429 176.710 176.300 -0.032 0.000 1.006 905 D CA 0.494 54.524 54.000 0.049 0.000 0.893 905 D CB 0.228 41.067 40.800 0.066 0.000 1.019 905 D HN 0.444 nan 8.370 nan 0.000 0.503 906 H N -0.542 118.515 119.070 -0.021 0.000 2.539 906 H HA 0.324 4.879 4.556 -0.001 0.000 0.293 906 H C 0.079 175.392 175.328 -0.024 0.000 1.156 906 H CA -0.456 55.578 56.048 -0.022 0.000 1.012 906 H CB -0.422 29.326 29.762 -0.024 0.000 1.600 906 H HN -0.037 nan 8.280 nan 0.000 0.538 907 T N -1.660 112.928 114.554 0.057 0.000 2.923 907 T HA 0.508 4.857 4.350 -0.001 0.000 0.281 907 T C 0.106 174.803 174.700 -0.005 0.000 0.995 907 T CA -1.140 60.974 62.100 0.023 0.000 0.985 907 T CB 1.173 70.048 68.868 0.012 0.000 1.114 907 T HN 0.103 nan 8.240 nan 0.000 0.548 908 L N 1.730 122.945 121.223 -0.013 0.000 2.312 908 L HA 0.388 4.727 4.340 -0.001 0.000 0.287 908 L C 0.310 177.165 176.870 -0.026 0.000 1.091 908 L CA -0.659 54.164 54.840 -0.027 0.000 0.846 908 L CB -0.722 41.318 42.059 -0.033 0.000 1.219 908 L HN 0.665 nan 8.230 nan 0.000 0.439 909 D N 5.781 126.164 120.400 -0.029 0.000 2.648 909 D HA -0.039 4.600 4.640 -0.001 0.000 0.229 909 D C -1.109 175.177 176.300 -0.023 0.000 1.119 909 D CA -0.843 53.142 54.000 -0.025 0.000 0.850 909 D CB 0.999 41.782 40.800 -0.028 0.000 1.169 909 D HN 0.318 nan 8.370 nan 0.000 0.489 910 P HA -0.263 nan 4.420 nan 0.000 0.220 910 P C 1.248 178.538 177.300 -0.017 0.000 1.142 910 P CA 0.924 64.014 63.100 -0.017 0.000 0.801 910 P CB 0.014 31.706 31.700 -0.013 0.000 0.764 911 S N -0.662 115.027 115.700 -0.018 0.000 2.387 911 S HA -0.158 4.311 4.470 -0.001 0.000 0.230 911 S C 1.775 176.364 174.600 -0.019 0.000 1.035 911 S CA 1.239 59.429 58.200 -0.016 0.000 1.014 911 S CB -0.778 62.412 63.200 -0.016 0.000 0.836 911 S HN 0.126 nan 8.310 nan 0.000 0.466 912 L N -0.629 120.579 121.223 -0.026 0.000 2.253 912 L HA 0.405 4.745 4.340 -0.001 0.000 0.205 912 L C 0.639 177.487 176.870 -0.036 0.000 1.078 912 L CA -0.054 54.767 54.840 -0.033 0.000 0.805 912 L CB -0.152 41.883 42.059 -0.040 0.000 0.963 912 L HN 0.289 nan 8.230 nan 0.000 0.459 913 L N -0.821 120.382 121.223 -0.033 0.000 2.323 913 L HA 0.270 4.609 4.340 -0.001 0.000 0.265 913 L C 0.900 177.754 176.870 -0.027 0.000 1.012 913 L CA -0.069 54.749 54.840 -0.035 0.000 0.820 913 L CB 1.764 43.800 42.059 -0.039 0.000 1.334 913 L HN -0.063 nan 8.230 nan 0.000 0.427 914 E N -0.309 119.875 120.200 -0.026 0.000 2.274 914 E HA -0.081 4.268 4.350 -0.001 0.000 0.194 914 E C 1.005 177.594 176.600 -0.017 0.000 0.996 914 E CA 1.242 57.631 56.400 -0.019 0.000 0.840 914 E CB 0.400 30.090 29.700 -0.017 0.000 0.772 914 E HN 0.844 nan 8.360 nan 0.000 0.491 915 S N -0.788 114.899 115.700 -0.022 0.000 2.297 915 S HA 0.161 4.630 4.470 -0.001 0.000 0.200 915 S C 1.709 176.299 174.600 -0.017 0.000 1.011 915 S CA 0.370 58.558 58.200 -0.019 0.000 0.938 915 S CB -0.804 62.383 63.200 -0.023 0.000 0.924 915 S HN 0.522 nan 8.310 nan 0.000 0.504 916 G N 1.969 110.757 108.800 -0.020 0.000 3.284 916 G HA2 -0.452 3.508 3.960 -0.001 0.000 0.351 916 G HA3 -0.452 3.508 3.960 -0.001 0.000 0.351 916 G C 1.337 176.229 174.900 -0.014 0.000 1.232 916 G CA 2.072 47.161 45.100 -0.018 0.000 1.001 916 G HN 1.194 nan 8.290 nan 0.000 0.639 917 S N 0.916 116.609 115.700 -0.012 0.000 2.537 917 S HA 0.084 4.553 4.470 -0.001 0.000 0.240 917 S C 1.732 176.327 174.600 -0.008 0.000 0.981 917 S CA 1.955 60.150 58.200 -0.009 0.000 0.948 917 S CB 0.216 63.411 63.200 -0.009 0.000 0.759 917 S HN 0.793 nan 8.310 nan 0.000 0.531 918 E N -0.115 120.079 120.200 -0.009 0.000 2.431 918 E HA 0.175 4.525 4.350 -0.001 0.000 0.200 918 E C 1.196 177.790 176.600 -0.009 0.000 0.995 918 E CA 0.056 56.450 56.400 -0.009 0.000 0.915 918 E CB 0.116 29.811 29.700 -0.009 0.000 0.930 918 E HN 0.526 nan 8.360 nan 0.000 0.496 919 I N 1.386 121.950 120.570 -0.011 0.000 3.035 919 I HA 0.001 4.170 4.170 -0.001 0.000 0.271 919 I C 0.826 176.938 176.117 -0.008 0.000 1.190 919 I CA 0.169 61.462 61.300 -0.011 0.000 1.472 919 I CB 0.249 38.240 38.000 -0.015 0.000 1.116 919 I HN 0.162 nan 8.210 nan 0.000 0.443 920 L N 1.126 122.345 121.223 -0.007 0.000 2.456 920 L HA 0.355 4.695 4.340 -0.001 0.000 0.272 920 L C 0.861 177.728 176.870 -0.005 0.000 1.189 920 L CA 1.105 55.943 54.840 -0.004 0.000 0.846 920 L CB -0.570 41.487 42.059 -0.003 0.000 1.111 920 L HN 0.554 nan 8.230 nan 0.000 0.475 921 G N 4.614 113.412 108.800 -0.004 0.000 2.528 921 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.262 921 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.262 921 G C -0.271 174.624 174.900 -0.007 0.000 1.200 921 G CA 0.491 45.587 45.100 -0.006 0.000 0.951 921 G HN 1.542 nan 8.290 nan 0.000 0.566 922 D N -2.211 118.184 120.400 -0.007 0.000 10.770 922 D HA -0.112 4.528 4.640 -0.001 0.000 0.340 922 D C 0.496 176.791 176.300 -0.008 0.000 3.132 922 D CA 1.142 55.138 54.000 -0.007 0.000 2.696 922 D CB -0.891 39.904 40.800 -0.007 0.000 1.209 922 D HN 1.147 nan 8.370 nan 0.000 0.941 923 L N 2.556 123.775 121.223 -0.008 0.000 2.885 923 L HA 0.157 4.497 4.340 -0.001 0.000 0.251 923 L C 2.279 179.145 176.870 -0.006 0.000 1.071 923 L CA -0.108 54.728 54.840 -0.008 0.000 0.956 923 L CB -0.047 42.007 42.059 -0.008 0.000 1.483 923 L HN 0.353 nan 8.230 nan 0.000 0.525 924 K N 0.673 121.070 120.400 -0.005 0.000 2.074 924 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 924 K C 1.649 178.247 176.600 -0.003 0.000 1.048 924 K CA 2.244 58.529 56.287 -0.004 0.000 0.926 924 K CB -0.039 32.459 32.500 -0.003 0.000 0.713 924 K HN 0.402 nan 8.250 nan 0.000 0.444 925 L N -2.399 118.822 121.223 -0.004 0.000 2.664 925 L HA 0.269 4.609 4.340 -0.001 0.000 0.233 925 L C 1.714 178.584 176.870 -0.001 0.000 1.113 925 L CA 0.184 55.023 54.840 -0.002 0.000 0.896 925 L CB 0.071 42.127 42.059 -0.005 0.000 1.163 925 L HN -0.119 nan 8.230 nan 0.000 0.497 926 Q N 0.712 120.510 119.800 -0.003 0.000 2.224 926 Q HA -0.056 4.284 4.340 -0.001 0.000 0.203 926 Q C 2.237 178.236 176.000 -0.000 0.000 0.970 926 Q CA 1.507 57.308 55.803 -0.004 0.000 0.865 926 Q CB 0.021 28.753 28.738 -0.010 0.000 0.922 926 Q HN 0.508 nan 8.270 nan 0.000 0.445 927 V N 0.297 120.211 119.914 0.001 0.000 2.970 927 V HA -0.145 3.975 4.120 -0.001 0.000 0.260 927 V C 1.933 178.035 176.094 0.012 0.000 1.100 927 V CA 0.811 63.113 62.300 0.004 0.000 1.122 927 V CB -0.088 31.736 31.823 0.001 0.000 0.721 927 V HN 0.243 nan 8.190 nan 0.000 0.483 928 L N -1.402 119.829 121.223 0.013 0.000 2.202 928 L HA 0.047 4.386 4.340 -0.001 0.000 0.205 928 L C 2.186 179.075 176.870 0.031 0.000 1.083 928 L CA 0.427 55.279 54.840 0.019 0.000 0.790 928 L CB -0.336 41.730 42.059 0.012 0.000 0.942 928 L HN 0.261 nan 8.230 nan 0.000 0.452 929 L N -0.131 121.110 121.223 0.029 0.000 2.056 929 L HA -0.195 4.145 4.340 -0.001 0.000 0.207 929 L C 2.150 179.064 176.870 0.074 0.000 1.078 929 L CA 1.741 56.609 54.840 0.047 0.000 0.749 929 L CB -1.014 41.064 42.059 0.031 0.000 0.901 929 L HN 0.258 nan 8.230 nan 0.000 0.433 930 D N 0.197 120.624 120.400 0.045 0.000 2.108 930 D HA -0.241 4.398 4.640 -0.001 0.000 0.190 930 D C 1.826 178.182 176.300 0.092 0.000 0.995 930 D CA 1.827 55.855 54.000 0.046 0.000 0.834 930 D CB 0.081 40.887 40.800 0.010 0.000 0.967 930 D HN 0.562 nan 8.370 nan 0.000 0.446 931 E N 0.789 121.027 120.200 0.065 0.000 2.516 931 E HA -0.099 4.251 4.350 -0.001 0.000 0.199 931 E C 1.638 178.281 176.600 0.073 0.000 1.069 931 E CA 0.745 57.184 56.400 0.064 0.000 0.876 931 E CB -0.251 29.472 29.700 0.037 0.000 0.843 931 E HN 0.437 nan 8.360 nan 0.000 0.530 932 E N 0.090 120.343 120.200 0.088 0.000 2.028 932 E HA -0.232 4.117 4.350 -0.001 0.000 0.190 932 E C 1.681 178.352 176.600 0.119 0.000 0.984 932 E CA 0.730 57.182 56.400 0.087 0.000 0.800 932 E CB -0.332 29.420 29.700 0.086 0.000 0.758 932 E HN 0.460 nan 8.360 nan 0.000 0.448 933 Y N 1.238 121.564 120.300 0.043 0.000 2.165 933 Y HA -0.215 4.335 4.550 -0.001 0.000 0.286 933 Y C 2.242 178.180 175.900 0.064 0.000 1.155 933 Y CA 2.016 60.153 58.100 0.061 0.000 1.164 933 Y CB 0.102 38.598 38.460 0.060 0.000 0.978 933 Y HN -0.051 nan 8.280 nan 0.000 0.513 934 K N -0.382 120.192 120.400 0.290 0.000 2.097 934 K HA -0.280 4.040 4.320 -0.001 0.000 0.206 934 K C 2.149 178.797 176.600 0.080 0.000 1.049 934 K CA 1.637 58.037 56.287 0.187 0.000 0.933 934 K CB -0.162 32.412 32.500 0.125 0.000 0.717 934 K HN 0.263 nan 8.250 nan 0.000 0.442 935 Q N 0.856 120.685 119.800 0.048 0.000 2.167 935 Q HA -0.064 4.275 4.340 -0.001 0.000 0.202 935 Q C 1.615 177.598 176.000 -0.029 0.000 0.970 935 Q CA 1.319 57.124 55.803 0.003 0.000 0.855 935 Q CB 0.005 28.743 28.738 -0.001 0.000 0.911 935 Q HN 0.305 nan 8.270 nan 0.000 0.438 936 L N -1.121 120.070 121.223 -0.053 0.000 2.179 936 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 936 L C 2.163 178.977 176.870 -0.094 0.000 1.096 936 L CA 0.422 55.193 54.840 -0.115 0.000 0.779 936 L CB -0.186 41.726 42.059 -0.244 0.000 0.922 936 L HN 0.144 nan 8.230 nan 0.000 0.443 937 V N 0.072 119.938 119.914 -0.080 0.000 2.548 937 V HA -0.209 3.911 4.120 -0.001 0.000 0.249 937 V C 2.574 178.621 176.094 -0.077 0.000 1.055 937 V CA 1.492 63.730 62.300 -0.104 0.000 1.065 937 V CB -0.229 31.610 31.823 0.026 0.000 0.681 937 V HN 0.399 nan 8.190 nan 0.000 0.462 938 K N -0.209 120.175 120.400 -0.027 0.000 2.155 938 K HA -0.172 4.148 4.320 -0.001 0.000 0.203 938 K C 1.691 178.304 176.600 0.022 0.000 1.052 938 K CA 1.761 58.048 56.287 -0.000 0.000 0.948 938 K CB -0.364 32.136 32.500 0.001 0.000 0.728 938 K HN 0.454 nan 8.250 nan 0.000 0.448 939 D N 0.871 121.263 120.400 -0.014 0.000 2.133 939 D HA -0.211 4.428 4.640 -0.001 0.000 0.192 939 D C 2.055 178.388 176.300 0.055 0.000 1.001 939 D CA 1.556 55.566 54.000 0.017 0.000 0.844 939 D CB -0.113 40.670 40.800 -0.029 0.000 0.944 939 D HN 0.299 nan 8.370 nan 0.000 0.447 940 R N 0.717 121.180 120.500 -0.062 0.000 2.092 940 R HA -0.061 4.278 4.340 -0.001 0.000 0.231 940 R C 2.015 178.278 176.300 -0.062 0.000 1.119 940 R CA 1.339 57.360 56.100 -0.131 0.000 0.970 940 R CB 0.003 30.046 30.300 -0.429 0.000 0.864 940 R HN 0.052 nan 8.270 nan 0.000 0.440 941 K N -0.543 119.835 120.400 -0.037 0.000 2.103 941 K HA -0.146 4.173 4.320 -0.001 0.000 0.204 941 K C 1.810 178.434 176.600 0.040 0.000 1.052 941 K CA 1.228 57.508 56.287 -0.011 0.000 0.945 941 K CB -0.196 32.299 32.500 -0.008 0.000 0.722 941 K HN 0.214 nan 8.250 nan 0.000 0.443 942 F N 1.709 121.631 119.950 -0.047 0.000 2.084 942 F HA -0.131 4.395 4.527 -0.001 0.000 0.296 942 F C 1.689 177.471 175.800 -0.031 0.000 1.111 942 F CA 1.315 59.289 58.000 -0.043 0.000 1.224 942 F CB -0.154 38.820 39.000 -0.042 0.000 0.991 942 F HN -0.074 nan 8.300 nan 0.000 0.471 943 L N 0.119 121.442 121.223 0.167 0.000 2.046 943 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 943 L C 2.663 179.566 176.870 0.056 0.000 1.077 943 L CA 1.102 56.026 54.840 0.140 0.000 0.747 943 L CB -0.759 41.471 42.059 0.284 0.000 0.896 943 L HN 0.047 nan 8.230 nan 0.000 0.432 944 R N 0.609 121.139 120.500 0.050 0.000 2.127 944 R HA -0.188 4.151 4.340 -0.001 0.000 0.238 944 R C 2.080 178.374 176.300 -0.011 0.000 1.134 944 R CA 1.778 57.922 56.100 0.073 0.000 0.975 944 R CB -0.292 30.031 30.300 0.039 0.000 0.865 944 R HN 0.678 nan 8.270 nan 0.000 0.447 945 E N -0.385 119.724 120.200 -0.150 0.000 2.140 945 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 945 E C 2.029 178.430 176.600 -0.331 0.000 0.973 945 E CA 0.509 56.779 56.400 -0.217 0.000 0.829 945 E CB -0.393 29.168 29.700 -0.231 0.000 0.781 945 E HN -0.060 nan 8.360 nan 0.000 0.466 946 V N 1.061 120.644 119.914 -0.552 0.000 2.223 946 V HA -0.180 3.939 4.120 -0.001 0.000 0.244 946 V C 0.871 176.545 176.094 -0.699 0.000 1.045 946 V CA 1.467 63.318 62.300 -0.749 0.000 1.000 946 V CB -0.451 30.752 31.823 -1.033 0.000 0.635 946 V HN 0.195 nan 8.190 nan 0.000 0.445 947 F N -0.371 119.498 119.950 -0.135 0.000 2.384 947 F HA 0.335 4.861 4.527 -0.001 0.000 0.359 947 F C 1.073 176.893 175.800 0.033 0.000 1.143 947 F CA -0.316 57.676 58.000 -0.013 0.000 1.216 947 F CB 0.255 39.332 39.000 0.128 0.000 1.512 947 F HN -0.198 nan 8.300 nan 0.000 0.573 948 V N 1.604 121.586 119.914 0.114 0.000 2.324 948 V HA -0.340 3.779 4.120 -0.001 0.000 0.250 948 V C 1.915 178.122 176.094 0.187 0.000 1.060 948 V CA 2.380 64.749 62.300 0.115 0.000 1.042 948 V CB -0.446 31.416 31.823 0.065 0.000 0.650 948 V HN 0.691 nan 8.190 nan 0.000 0.450 949 D N -0.351 120.146 120.400 0.163 0.000 2.312 949 D HA 0.099 4.738 4.640 -0.001 0.000 0.211 949 D C 1.706 177.929 176.300 -0.128 0.000 0.964 949 D CA 1.280 55.335 54.000 0.091 0.000 0.877 949 D CB -0.212 40.652 40.800 0.107 0.000 0.924 949 D HN 0.519 nan 8.370 nan 0.000 0.515 950 G N 0.351 109.005 108.800 -0.244 0.000 2.345 950 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.218 950 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.218 950 G C 0.208 174.876 174.900 -0.386 0.000 1.058 950 G CA 0.152 44.740 45.100 -0.853 0.000 0.632 950 G HN 0.612 nan 8.290 nan 0.000 0.508 951 E N 1.665 121.731 120.200 -0.223 0.000 2.820 951 E HA 0.384 4.734 4.350 -0.001 0.000 0.251 951 E C 1.102 177.537 176.600 -0.275 0.000 0.944 951 E CA 1.324 57.578 56.400 -0.243 0.000 0.955 951 E CB 0.500 30.059 29.700 -0.235 0.000 0.904 951 E HN 1.179 nan 8.360 nan 0.000 0.513 952 A N 5.114 127.734 122.820 -0.333 0.000 2.390 952 A HA 0.126 4.445 4.320 -0.001 0.000 0.232 952 A C -0.190 177.180 177.584 -0.356 0.000 1.233 952 A CA -0.407 51.479 52.037 -0.252 0.000 0.907 952 A CB 0.010 18.932 19.000 -0.130 0.000 0.967 952 A HN 0.594 nan 8.150 nan 0.000 0.512 953 N N -0.073 118.257 118.700 -0.615 0.000 2.426 953 N HA 0.462 5.202 4.740 -0.001 0.000 0.275 953 N C -1.486 173.425 175.510 -0.998 0.000 1.019 953 N CA 0.192 52.898 53.050 -0.573 0.000 0.941 953 N CB 0.748 38.967 38.487 -0.446 0.000 1.123 953 N HN 0.440 nan 8.380 nan 0.000 0.486 954 W N 1.210 122.399 121.300 -0.184 0.000 3.256 954 W HA 0.325 4.984 4.660 -0.001 0.000 0.324 954 W C -2.208 174.300 176.519 -0.018 0.000 1.196 954 W CA -1.746 55.515 57.345 -0.140 0.000 1.206 954 W CB 1.690 31.010 29.460 -0.233 0.000 1.385 954 W HN 0.296 nan 8.180 nan 0.000 0.522 955 P HA 0.142 nan 4.420 nan 0.000 0.266 955 P C -0.794 176.662 177.300 0.261 0.000 1.215 955 P CA 0.746 64.003 63.100 0.262 0.000 0.763 955 P CB 0.981 32.872 31.700 0.318 0.000 0.806 956 L N 5.206 126.575 121.223 0.243 0.000 2.466 956 L HA 0.466 4.805 4.340 -0.001 0.000 0.258 956 L C -2.568 174.476 176.870 0.289 0.000 0.973 956 L CA -2.682 52.328 54.840 0.282 0.000 0.826 956 L CB 3.020 45.274 42.059 0.324 0.000 1.372 956 L HN 0.095 nan 8.230 nan 0.000 0.409 957 P HA 0.242 nan 4.420 nan 0.000 0.274 957 P C -1.011 176.493 177.300 0.340 0.000 1.237 957 P CA -0.144 63.085 63.100 0.214 0.000 0.793 957 P CB 0.744 32.469 31.700 0.041 0.000 0.977 958 V N -0.341 119.732 119.914 0.264 0.000 3.683 958 V HA -0.217 3.903 4.120 -0.001 0.000 0.493 958 V C 0.396 176.650 176.094 0.267 0.000 0.682 958 V CA 0.082 62.549 62.300 0.278 0.000 2.008 958 V CB -1.499 30.544 31.823 0.367 0.000 2.427 958 V HN 0.829 nan 8.190 nan 0.000 0.505 959 N N 3.987 122.797 118.700 0.182 0.000 2.399 959 N HA 0.265 5.004 4.740 -0.001 0.000 0.259 959 N C 0.620 176.185 175.510 0.091 0.000 1.160 959 N CA -0.005 53.129 53.050 0.139 0.000 0.946 959 N CB 0.934 39.496 38.487 0.124 0.000 1.156 959 N HN 0.576 nan 8.380 nan 0.000 0.489 960 I N 3.660 124.272 120.570 0.069 0.000 2.162 960 I HA -0.172 3.998 4.170 -0.001 0.000 0.238 960 I C 2.413 178.512 176.117 -0.029 0.000 1.076 960 I CA 0.763 62.063 61.300 0.000 0.000 1.353 960 I CB -0.391 37.587 38.000 -0.036 0.000 1.063 960 I HN 0.569 nan 8.210 nan 0.000 0.408 961 R N 1.105 121.606 120.500 0.002 0.000 2.190 961 R HA -0.273 4.066 4.340 -0.001 0.000 0.255 961 R C 2.315 178.611 176.300 -0.006 0.000 1.143 961 R CA 2.129 58.234 56.100 0.008 0.000 0.965 961 R CB -0.579 29.755 30.300 0.057 0.000 0.889 961 R HN 0.242 nan 8.270 nan 0.000 0.448 962 R N -0.326 120.185 120.500 0.018 0.000 2.236 962 R HA 0.122 4.461 4.340 -0.001 0.000 0.208 962 R C 1.925 178.227 176.300 0.003 0.000 1.036 962 R CA 1.018 57.130 56.100 0.019 0.000 1.001 962 R CB 0.003 30.336 30.300 0.055 0.000 0.896 962 R HN 0.384 nan 8.270 nan 0.000 0.464 963 I N 0.116 120.680 120.570 -0.010 0.000 2.928 963 I HA -0.175 3.994 4.170 -0.001 0.000 0.266 963 I C 1.415 177.557 176.117 0.040 0.000 1.234 963 I CA 0.392 61.690 61.300 -0.004 0.000 1.483 963 I CB 0.095 38.035 38.000 -0.099 0.000 1.097 963 I HN 0.118 nan 8.210 nan 0.000 0.455 964 I N 0.619 121.153 120.570 -0.059 0.000 2.277 964 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 964 I C 2.500 178.614 176.117 -0.004 0.000 1.094 964 I CA 1.495 62.739 61.300 -0.093 0.000 1.393 964 I CB -0.411 37.374 38.000 -0.359 0.000 1.078 964 I HN 0.120 nan 8.210 nan 0.000 0.417 965 Q N 0.187 119.962 119.800 -0.042 0.000 2.135 965 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 965 Q C 2.036 177.894 176.000 -0.237 0.000 0.981 965 Q CA 1.650 57.380 55.803 -0.121 0.000 0.856 965 Q CB -0.192 28.426 28.738 -0.200 0.000 0.902 965 Q HN 0.439 nan 8.270 nan 0.000 0.425 966 N N -0.209 118.409 118.700 -0.135 0.000 2.104 966 N HA -0.144 4.595 4.740 -0.001 0.000 0.190 966 N C 1.434 176.989 175.510 0.074 0.000 1.024 966 N CA 1.462 54.526 53.050 0.024 0.000 0.853 966 N CB -0.310 38.379 38.487 0.336 0.000 1.008 966 N HN 0.299 nan 8.380 nan 0.000 0.424 967 A N 0.657 123.625 122.820 0.247 0.000 2.014 967 A HA -0.043 4.276 4.320 -0.001 0.000 0.218 967 A C 1.730 179.397 177.584 0.138 0.000 1.163 967 A CA 0.745 52.906 52.037 0.207 0.000 0.652 967 A CB -0.268 18.943 19.000 0.352 0.000 0.808 967 A HN 0.303 nan 8.150 nan 0.000 0.449 968 Q N -0.907 118.955 119.800 0.102 0.000 2.387 968 Q HA 0.053 4.392 4.340 -0.001 0.000 0.211 968 Q C 0.874 176.943 176.000 0.116 0.000 0.952 968 Q CA 0.287 56.157 55.803 0.111 0.000 0.957 968 Q CB 0.193 29.014 28.738 0.137 0.000 1.002 968 Q HN 0.634 nan 8.270 nan 0.000 0.502 969 Q N -2.102 117.752 119.800 0.090 0.000 2.360 969 Q HA 0.037 4.376 4.340 -0.001 0.000 0.178 969 Q C 1.646 177.645 176.000 -0.002 0.000 0.673 969 Q CA 0.676 56.535 55.803 0.093 0.000 0.896 969 Q CB 0.267 29.087 28.738 0.136 0.000 1.234 969 Q HN 0.212 nan 8.270 nan 0.000 0.416 970 T N 1.019 115.492 114.554 -0.135 0.000 2.946 970 T HA -0.053 4.296 4.350 -0.001 0.000 0.271 970 T C 0.853 175.134 174.700 -0.698 0.000 1.104 970 T CA 1.239 63.076 62.100 -0.439 0.000 1.114 970 T CB -0.184 68.257 68.868 -0.711 0.000 0.867 970 T HN 0.082 nan 8.240 nan 0.000 0.513 971 F N -0.502 119.353 119.950 -0.158 0.000 2.724 971 F HA 0.316 4.842 4.527 -0.001 0.000 0.310 971 F C 0.735 176.560 175.800 0.040 0.000 1.107 971 F CA -0.934 57.017 58.000 -0.081 0.000 1.218 971 F CB -0.091 38.840 39.000 -0.115 0.000 1.042 971 F HN 0.190 nan 8.300 nan 0.000 0.540 972 H N 1.601 120.702 119.070 0.052 0.000 2.400 972 H HA -0.216 4.340 4.556 -0.001 0.000 0.310 972 H C -0.720 174.651 175.328 0.073 0.000 0.923 972 H CA 0.113 56.191 56.048 0.050 0.000 1.024 972 H CB -0.676 29.094 29.762 0.013 0.000 1.611 972 H HN 0.282 nan 8.280 nan 0.000 0.332 973 I N 4.299 124.809 120.570 -0.099 0.000 2.336 973 I HA 0.155 4.324 4.170 -0.001 0.000 0.292 973 I C -0.150 175.899 176.117 -0.114 0.000 0.991 973 I CA -0.315 60.935 61.300 -0.083 0.000 1.227 973 I CB 1.135 39.102 38.000 -0.054 0.000 1.366 973 I HN 0.371 nan 8.210 nan 0.000 0.466 974 D N 6.196 126.543 120.400 -0.089 0.000 2.359 974 D HA 0.165 4.805 4.640 -0.001 0.000 0.230 974 D C 0.372 176.671 176.300 -0.002 0.000 1.118 974 D CA -0.002 53.985 54.000 -0.021 0.000 0.844 974 D CB 0.465 41.257 40.800 -0.014 0.000 1.059 974 D HN 0.497 nan 8.370 nan 0.000 0.493 975 H N 2.807 121.865 119.070 -0.021 0.000 3.269 975 H HA 0.029 4.584 4.556 -0.001 0.000 0.285 975 H C 0.601 175.924 175.328 -0.008 0.000 1.108 975 H CA 0.552 56.596 56.048 -0.007 0.000 1.219 975 H CB -0.120 29.642 29.762 -0.002 0.000 1.295 975 H HN 0.379 nan 8.280 nan 0.000 0.673 976 T N -3.152 111.438 114.554 0.061 0.000 3.131 976 T HA 0.096 4.446 4.350 -0.001 0.000 0.283 976 T C 0.504 175.212 174.700 0.013 0.000 0.906 976 T CA -0.526 61.596 62.100 0.036 0.000 0.882 976 T CB 0.915 69.805 68.868 0.036 0.000 1.208 976 T HN -0.058 nan 8.240 nan 0.000 0.561 977 K N 3.338 123.738 120.400 -0.000 0.000 2.206 977 K HA 0.507 4.826 4.320 -0.001 0.000 0.264 977 K C -2.893 173.695 176.600 -0.020 0.000 0.967 977 K CA -2.367 53.917 56.287 -0.006 0.000 0.844 977 K CB 1.595 34.095 32.500 -0.000 0.000 1.099 977 K HN 0.031 nan 8.250 nan 0.000 0.441 978 P HA 0.140 nan 4.420 nan 0.000 0.208 978 P C -0.069 177.213 177.300 -0.028 0.000 1.863 978 P CA -0.267 62.819 63.100 -0.024 0.000 1.037 978 P CB 0.500 32.190 31.700 -0.017 0.000 1.881 979 S N 2.355 118.033 115.700 -0.035 0.000 3.175 979 S HA -0.207 4.262 4.470 -0.001 0.000 0.637 979 S C 0.428 175.011 174.600 -0.029 0.000 2.824 979 S CA 1.662 59.839 58.200 -0.039 0.000 3.014 979 S CB -0.649 62.520 63.200 -0.053 0.000 0.331 979 S HN 0.665 nan 8.310 nan 0.000 1.796 980 D N -1.059 119.320 120.400 -0.034 0.000 2.520 980 D HA 0.235 4.874 4.640 -0.001 0.000 0.386 980 D C 0.153 176.433 176.300 -0.033 0.000 1.267 980 D CA -0.186 53.800 54.000 -0.025 0.000 0.958 980 D CB -1.005 39.789 40.800 -0.010 0.000 1.462 980 D HN 0.438 nan 8.370 nan 0.000 0.438 981 L N 0.941 122.130 121.223 -0.057 0.000 2.479 981 L HA 0.509 4.848 4.340 -0.001 0.000 0.248 981 L C 0.822 177.652 176.870 -0.068 0.000 1.205 981 L CA -0.057 54.736 54.840 -0.078 0.000 0.817 981 L CB 0.635 42.606 42.059 -0.148 0.000 1.162 981 L HN -0.130 nan 8.230 nan 0.000 0.486 982 T N -0.798 113.714 114.554 -0.070 0.000 2.936 982 T HA 0.331 4.680 4.350 -0.001 0.000 0.282 982 T C 1.494 176.145 174.700 -0.080 0.000 1.003 982 T CA -0.756 61.309 62.100 -0.058 0.000 1.005 982 T CB 1.352 70.197 68.868 -0.038 0.000 1.097 982 T HN 0.273 nan 8.240 nan 0.000 0.532 983 I N 0.618 121.151 120.570 -0.062 0.000 2.163 983 I HA -0.145 4.024 4.170 -0.001 0.000 0.243 983 I C 2.496 178.576 176.117 -0.062 0.000 1.085 983 I CA 1.667 62.930 61.300 -0.063 0.000 1.347 983 I CB -0.927 37.050 38.000 -0.037 0.000 1.044 983 I HN 0.741 nan 8.210 nan 0.000 0.408 984 K N 0.831 121.206 120.400 -0.041 0.000 2.113 984 K HA -0.252 4.067 4.320 -0.001 0.000 0.208 984 K C 1.619 178.198 176.600 -0.034 0.000 1.047 984 K CA 2.042 58.312 56.287 -0.027 0.000 0.928 984 K CB -0.025 32.466 32.500 -0.015 0.000 0.716 984 K HN 0.257 nan 8.250 nan 0.000 0.446 985 D N 0.520 120.883 120.400 -0.061 0.000 2.156 985 D HA -0.215 4.425 4.640 -0.001 0.000 0.190 985 D C 1.810 178.034 176.300 -0.126 0.000 0.998 985 D CA 1.593 55.545 54.000 -0.080 0.000 0.842 985 D CB -0.230 40.486 40.800 -0.139 0.000 0.974 985 D HN 0.185 nan 8.370 nan 0.000 0.447 986 I N 0.258 120.677 120.570 -0.252 0.000 2.076 986 I HA -0.274 3.895 4.170 -0.001 0.000 0.237 986 I C 2.395 178.477 176.117 -0.058 0.000 1.059 986 I CA 1.026 62.148 61.300 -0.298 0.000 1.317 986 I CB -0.379 37.452 38.000 -0.281 0.000 1.037 986 I HN -0.049 nan 8.210 nan 0.000 0.398 987 V N 0.568 120.461 119.914 -0.035 0.000 2.358 987 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 987 V C 2.283 178.394 176.094 0.029 0.000 1.047 987 V CA 1.341 63.646 62.300 0.009 0.000 1.035 987 V CB -0.675 31.151 31.823 0.006 0.000 0.658 987 V HN 0.404 nan 8.190 nan 0.000 0.452 988 L N 1.109 122.346 121.223 0.023 0.000 2.005 988 L HA -0.032 4.307 4.340 -0.001 0.000 0.207 988 L C 2.552 179.458 176.870 0.059 0.000 1.072 988 L CA 2.497 57.357 54.840 0.033 0.000 0.744 988 L CB -1.606 40.468 42.059 0.024 0.000 0.895 988 L HN 0.412 nan 8.230 nan 0.000 0.433 989 G N -0.544 108.312 108.800 0.094 0.000 2.505 989 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.220 989 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.220 989 G C 1.730 176.718 174.900 0.147 0.000 1.145 989 G CA 1.213 46.408 45.100 0.158 0.000 0.761 989 G HN 0.348 nan 8.290 nan 0.000 0.571 990 V N 0.223 120.240 119.914 0.172 0.000 2.515 990 V HA -0.032 4.088 4.120 -0.001 0.000 0.250 990 V C 2.702 178.825 176.094 0.048 0.000 1.058 990 V CA 2.555 64.930 62.300 0.125 0.000 1.064 990 V CB -0.249 31.662 31.823 0.147 0.000 0.675 990 V HN 0.439 nan 8.190 nan 0.000 0.461 991 K N -0.645 119.780 120.400 0.042 0.000 2.103 991 K HA -0.161 4.159 4.320 -0.001 0.000 0.204 991 K C 1.809 178.414 176.600 0.009 0.000 1.052 991 K CA 1.699 57.996 56.287 0.017 0.000 0.945 991 K CB -0.119 32.391 32.500 0.017 0.000 0.722 991 K HN 0.482 nan 8.250 nan 0.000 0.443 992 D N 0.935 121.346 120.400 0.019 0.000 2.097 992 D HA -0.181 4.458 4.640 -0.001 0.000 0.195 992 D C 1.836 178.134 176.300 -0.003 0.000 0.989 992 D CA 0.831 54.837 54.000 0.011 0.000 0.827 992 D CB -0.272 40.540 40.800 0.021 0.000 0.966 992 D HN 0.128 nan 8.370 nan 0.000 0.456 993 L N 0.966 122.183 121.223 -0.009 0.000 2.043 993 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 993 L C 2.234 179.077 176.870 -0.044 0.000 1.075 993 L CA 1.922 56.741 54.840 -0.036 0.000 0.752 993 L CB -0.686 41.338 42.059 -0.059 0.000 0.891 993 L HN 0.007 nan 8.230 nan 0.000 0.432 994 Q N -0.472 119.307 119.800 -0.036 0.000 2.112 994 Q HA -0.278 4.061 4.340 -0.001 0.000 0.206 994 Q C 2.112 178.085 176.000 -0.044 0.000 0.987 994 Q CA 2.351 58.127 55.803 -0.045 0.000 0.858 994 Q CB -0.163 28.556 28.738 -0.032 0.000 0.905 994 Q HN 0.717 nan 8.270 nan 0.000 0.420 995 E N -0.665 119.520 120.200 -0.026 0.000 2.371 995 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 995 E C 1.258 177.852 176.600 -0.011 0.000 1.012 995 E CA 0.279 56.669 56.400 -0.016 0.000 0.860 995 E CB 0.231 29.926 29.700 -0.008 0.000 0.811 995 E HN 0.371 nan 8.360 nan 0.000 0.502 996 N N 0.285 118.976 118.700 -0.016 0.000 2.463 996 N HA -0.005 4.734 4.740 -0.001 0.000 0.181 996 N C 0.164 175.682 175.510 0.013 0.000 1.078 996 N CA 0.359 53.408 53.050 -0.003 0.000 0.902 996 N CB 0.181 38.664 38.487 -0.008 0.000 0.970 996 N HN 0.086 nan 8.380 nan 0.000 0.451 997 L N 1.660 122.864 121.223 -0.030 0.000 2.376 997 L HA 0.095 4.435 4.340 -0.001 0.000 0.250 997 L C 0.015 176.987 176.870 0.171 0.000 1.335 997 L CA -0.164 54.645 54.840 -0.051 0.000 1.214 997 L CB -0.296 41.455 42.059 -0.513 0.000 1.395 997 L HN 0.013 nan 8.230 nan 0.000 0.424 998 L N 1.228 122.573 121.223 0.204 0.000 2.439 998 L HA 0.091 4.430 4.340 -0.001 0.000 0.269 998 L C 0.930 177.913 176.870 0.190 0.000 1.179 998 L CA 0.602 55.534 54.840 0.154 0.000 0.828 998 L CB 1.780 43.882 42.059 0.072 0.000 1.106 998 L HN 0.253 nan 8.230 nan 0.000 0.467 999 V N 3.686 123.667 119.914 0.112 0.000 3.141 999 V HA 0.232 4.352 4.120 -0.001 0.000 0.225 999 V C 0.210 176.311 176.094 0.011 0.000 1.352 999 V CA 0.034 62.354 62.300 0.032 0.000 1.316 999 V CB 1.300 33.162 31.823 0.064 0.000 1.126 999 V HN 0.485 nan 8.190 nan 0.000 0.493 1000 L N 0.322 121.565 121.223 0.033 0.000 2.341 1000 L HA 0.500 4.839 4.340 -0.001 0.000 0.278 1000 L C 0.864 177.752 176.870 0.029 0.000 1.005 1000 L CA -0.300 54.557 54.840 0.029 0.000 0.818 1000 L CB 2.094 44.175 42.059 0.036 0.000 1.259 1000 L HN 0.054 nan 8.230 nan 0.000 0.418 1001 R N 2.128 122.645 120.500 0.028 0.000 2.206 1001 R HA 0.199 4.539 4.340 -0.001 0.000 0.198 1001 R C 0.802 177.116 176.300 0.023 0.000 0.986 1001 R CA 0.434 56.549 56.100 0.024 0.000 1.029 1001 R CB 0.039 30.353 30.300 0.022 0.000 0.966 1001 R HN 0.752 nan 8.270 nan 0.000 0.487 1002 G N 1.362 110.178 108.800 0.027 0.000 2.349 1002 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.232 1002 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.232 1002 G C -0.076 174.835 174.900 0.018 0.000 1.240 1002 G CA -0.166 44.948 45.100 0.024 0.000 0.870 1002 G HN 0.275 nan 8.290 nan 0.000 0.528 1003 K N 2.201 122.610 120.400 0.015 0.000 2.417 1003 K HA 0.054 4.373 4.320 -0.001 0.000 0.196 1003 K C 0.847 177.452 176.600 0.009 0.000 1.023 1003 K CA -0.259 56.035 56.287 0.011 0.000 1.122 1003 K CB 0.103 32.609 32.500 0.010 0.000 0.850 1003 K HN 0.397 nan 8.250 nan 0.000 0.521 1004 N N 1.701 120.407 118.700 0.010 0.000 2.135 1004 N HA -0.055 4.684 4.740 -0.001 0.000 0.237 1004 N C 1.174 176.686 175.510 0.003 0.000 1.267 1004 N CA 0.461 53.516 53.050 0.007 0.000 0.953 1004 N CB 0.221 38.714 38.487 0.009 0.000 1.094 1004 N HN 0.131 nan 8.380 nan 0.000 0.414 1005 E N -0.631 119.569 120.200 -0.000 0.000 3.151 1005 E HA 0.103 4.452 4.350 -0.001 0.000 0.246 1005 E C 1.851 178.444 176.600 -0.012 0.000 1.150 1005 E CA 0.021 56.418 56.400 -0.005 0.000 1.806 1005 E CB 0.035 29.732 29.700 -0.006 0.000 2.295 1005 E HN 0.337 nan 8.360 nan 0.000 1.000 1006 I N 0.563 121.124 120.570 -0.015 0.000 2.361 1006 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 1006 I C 2.077 178.178 176.117 -0.028 0.000 1.133 1006 I CA 0.899 62.181 61.300 -0.029 0.000 1.413 1006 I CB -0.524 37.453 38.000 -0.038 0.000 1.073 1006 I HN -0.026 nan 8.210 nan 0.000 0.424 1007 I N 1.378 121.941 120.570 -0.011 0.000 2.233 1007 I HA -0.193 3.976 4.170 -0.001 0.000 0.243 1007 I C 2.630 178.746 176.117 -0.000 0.000 1.093 1007 I CA 1.322 62.622 61.300 0.000 0.000 1.380 1007 I CB -1.086 36.923 38.000 0.015 0.000 1.067 1007 I HN 0.215 nan 8.210 nan 0.000 0.413 1008 Q N 0.682 120.481 119.800 -0.001 0.000 2.364 1008 Q HA -0.150 4.189 4.340 -0.001 0.000 0.209 1008 Q C 1.690 177.684 176.000 -0.009 0.000 0.977 1008 Q CA 1.038 56.840 55.803 -0.002 0.000 0.885 1008 Q CB -0.611 28.126 28.738 -0.002 0.000 0.941 1008 Q HN 0.696 nan 8.270 nan 0.000 0.464 1009 N N 0.164 118.853 118.700 -0.017 0.000 2.305 1009 N HA -0.004 4.736 4.740 -0.001 0.000 0.179 1009 N C 1.680 177.174 175.510 -0.026 0.000 1.019 1009 N CA 0.704 53.738 53.050 -0.026 0.000 0.869 1009 N CB 0.110 38.575 38.487 -0.035 0.000 1.000 1009 N HN 0.151 nan 8.380 nan 0.000 0.431 1010 A N 1.270 124.075 122.820 -0.026 0.000 2.067 1010 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 1010 A C 2.159 179.746 177.584 0.004 0.000 1.158 1010 A CA 0.982 53.008 52.037 -0.019 0.000 0.661 1010 A CB -0.289 18.698 19.000 -0.020 0.000 0.801 1010 A HN 0.197 nan 8.150 nan 0.000 0.452 1011 Q N 0.569 120.373 119.800 0.008 0.000 1.975 1011 Q HA -0.195 4.144 4.340 -0.001 0.000 0.205 1011 Q C 2.262 178.271 176.000 0.014 0.000 0.990 1011 Q CA 1.806 57.621 55.803 0.020 0.000 0.845 1011 Q CB -0.440 28.308 28.738 0.017 0.000 0.913 1011 Q HN 0.690 nan 8.270 nan 0.000 0.420 1012 R N 0.328 120.825 120.500 -0.004 0.000 2.112 1012 R HA -0.184 4.155 4.340 -0.001 0.000 0.242 1012 R C 1.894 178.182 176.300 -0.020 0.000 1.137 1012 R CA 1.803 57.892 56.100 -0.019 0.000 0.944 1012 R CB -0.467 29.813 30.300 -0.034 0.000 0.857 1012 R HN 0.370 nan 8.270 nan 0.000 0.435 1013 D N 0.014 120.402 120.400 -0.020 0.000 2.144 1013 D HA -0.090 4.549 4.640 -0.001 0.000 0.199 1013 D C 1.514 177.816 176.300 0.003 0.000 0.984 1013 D CA 1.384 55.372 54.000 -0.020 0.000 0.834 1013 D CB -0.125 40.660 40.800 -0.024 0.000 0.955 1013 D HN 0.285 nan 8.370 nan 0.000 0.465 1014 A N -0.092 122.740 122.820 0.021 0.000 2.208 1014 A HA 0.095 4.415 4.320 -0.001 0.000 0.209 1014 A C 2.057 179.687 177.584 0.077 0.000 1.161 1014 A CA 0.231 52.294 52.037 0.043 0.000 0.782 1014 A CB 0.208 19.235 19.000 0.046 0.000 0.816 1014 A HN 0.125 nan 8.150 nan 0.000 0.477 1015 V N -1.111 118.843 119.914 0.067 0.000 3.431 1015 V HA -0.083 4.036 4.120 -0.001 0.000 0.253 1015 V C 2.420 178.564 176.094 0.084 0.000 1.184 1015 V CA 1.764 64.117 62.300 0.089 0.000 1.104 1015 V CB -0.273 31.578 31.823 0.047 0.000 0.799 1015 V HN 0.564 nan 8.190 nan 0.000 0.462 1016 T N 1.234 115.801 114.554 0.022 0.000 2.597 1016 T HA -0.299 4.050 4.350 -0.001 0.000 0.267 1016 T C 1.847 176.540 174.700 -0.012 0.000 1.053 1016 T CA 2.402 64.475 62.100 -0.046 0.000 1.165 1016 T CB -0.401 68.394 68.868 -0.122 0.000 0.863 1016 T HN 0.294 nan 8.240 nan 0.000 0.427 1017 L N 0.609 121.872 121.223 0.067 0.000 1.943 1017 L HA -0.032 4.307 4.340 -0.001 0.000 0.215 1017 L C 2.102 179.063 176.870 0.153 0.000 1.074 1017 L CA 1.794 56.715 54.840 0.135 0.000 0.759 1017 L CB -1.255 40.911 42.059 0.178 0.000 0.888 1017 L HN 0.267 nan 8.230 nan 0.000 0.433 1018 F N 0.142 120.122 119.950 0.051 0.000 2.063 1018 F HA -0.423 4.104 4.527 -0.001 0.000 0.296 1018 F C 2.593 178.387 175.800 -0.010 0.000 1.093 1018 F CA 2.277 60.298 58.000 0.035 0.000 1.229 1018 F CB -1.061 37.957 39.000 0.030 0.000 0.971 1018 F HN 0.288 nan 8.300 nan 0.000 0.491 1019 C N -0.160 119.137 119.300 -0.005 0.000 2.413 1019 C HA -0.244 4.215 4.460 -0.001 0.000 0.277 1019 C C 3.025 177.934 174.990 -0.135 0.000 1.265 1019 C CA 1.156 60.100 59.018 -0.123 0.000 1.752 1019 C CB -1.911 25.798 27.740 -0.051 0.000 1.998 1019 C HN 0.765 nan 8.230 nan 0.000 0.489 1020 C N -0.148 119.106 119.300 -0.076 0.000 2.425 1020 C HA -0.095 4.364 4.460 -0.001 0.000 0.277 1020 C C 2.439 177.404 174.990 -0.041 0.000 1.280 1020 C CA 0.737 59.730 59.018 -0.042 0.000 1.744 1020 C CB -1.669 26.085 27.740 0.023 0.000 1.989 1020 C HN 0.662 nan 8.230 nan 0.000 0.491 1021 L N 1.089 122.267 121.223 -0.076 0.000 1.961 1021 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 1021 L C 2.448 179.227 176.870 -0.151 0.000 1.072 1021 L CA 1.838 56.619 54.840 -0.098 0.000 0.749 1021 L CB -0.972 40.999 42.059 -0.145 0.000 0.889 1021 L HN 0.263 nan 8.230 nan 0.000 0.432 1022 L N -0.145 120.879 121.223 -0.332 0.000 2.021 1022 L HA -0.280 4.060 4.340 -0.001 0.000 0.215 1022 L C 2.740 179.547 176.870 -0.104 0.000 1.074 1022 L CA 1.968 56.632 54.840 -0.293 0.000 0.760 1022 L CB -0.529 41.271 42.059 -0.431 0.000 0.889 1022 L HN 0.275 nan 8.230 nan 0.000 0.433 1023 R N -0.788 119.663 120.500 -0.081 0.000 2.091 1023 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 1023 R C 2.578 178.912 176.300 0.057 0.000 1.136 1023 R CA 1.690 57.783 56.100 -0.012 0.000 0.959 1023 R CB -0.624 29.656 30.300 -0.032 0.000 0.856 1023 R HN 0.681 nan 8.270 nan 0.000 0.437 1024 S N 0.172 115.907 115.700 0.058 0.000 2.383 1024 S HA -0.100 4.370 4.470 -0.001 0.000 0.227 1024 S C 1.968 176.723 174.600 0.258 0.000 1.026 1024 S CA 0.858 59.165 58.200 0.179 0.000 0.981 1024 S CB 0.041 63.320 63.200 0.131 0.000 0.818 1024 S HN 0.115 nan 8.310 nan 0.000 0.472 1025 R N 0.994 121.587 120.500 0.155 0.000 2.057 1025 R HA 0.390 4.729 4.340 -0.001 0.000 0.224 1025 R C 1.171 177.621 176.300 0.250 0.000 1.136 1025 R CA 0.915 57.140 56.100 0.208 0.000 0.968 1025 R CB -0.712 29.665 30.300 0.127 0.000 0.863 1025 R HN 0.400 nan 8.270 nan 0.000 0.433 1026 L N 1.278 122.600 121.223 0.165 0.000 2.873 1026 L HA 0.359 4.699 4.340 -0.001 0.000 0.236 1026 L C -0.126 176.838 176.870 0.158 0.000 1.375 1026 L CA -0.659 54.299 54.840 0.197 0.000 1.239 1026 L CB -0.216 41.950 42.059 0.178 0.000 1.603 1026 L HN 0.107 nan 8.230 nan 0.000 0.430 1027 A N -0.545 122.360 122.820 0.141 0.000 2.294 1027 A HA 0.513 4.832 4.320 -0.001 0.000 0.330 1027 A C 1.230 178.827 177.584 0.021 0.000 1.133 1027 A CA -0.369 51.730 52.037 0.104 0.000 0.836 1027 A CB 0.855 19.978 19.000 0.206 0.000 1.190 1027 A HN 0.345 nan 8.150 nan 0.000 0.492 1028 T N 0.847 115.406 114.554 0.008 0.000 2.595 1028 T HA -0.127 4.222 4.350 -0.001 0.000 0.264 1028 T C 1.767 176.418 174.700 -0.080 0.000 1.058 1028 T CA 1.384 63.463 62.100 -0.034 0.000 1.166 1028 T CB -0.174 68.684 68.868 -0.016 0.000 0.863 1028 T HN 0.556 nan 8.240 nan 0.000 0.415 1029 R N 0.900 121.336 120.500 -0.107 0.000 2.357 1029 R HA 0.137 4.477 4.340 -0.001 0.000 0.202 1029 R C 2.170 178.323 176.300 -0.245 0.000 1.047 1029 R CA 0.434 56.441 56.100 -0.154 0.000 1.034 1029 R CB -0.097 30.116 30.300 -0.145 0.000 0.875 1029 R HN 0.342 nan 8.270 nan 0.000 0.473 1030 R N -1.219 119.121 120.500 -0.267 0.000 2.098 1030 R HA 0.073 4.412 4.340 -0.001 0.000 0.203 1030 R C 1.909 178.034 176.300 -0.293 0.000 1.166 1030 R CA 0.300 56.181 56.100 -0.366 0.000 1.090 1030 R CB 0.183 30.245 30.300 -0.396 0.000 0.992 1030 R HN -0.053 nan 8.270 nan 0.000 0.477 1031 V N 1.938 121.804 119.914 -0.081 0.000 2.828 1031 V HA -0.196 3.924 4.120 -0.001 0.000 0.260 1031 V C 1.849 177.947 176.094 0.006 0.000 1.101 1031 V CA 1.454 63.808 62.300 0.090 0.000 1.123 1031 V CB -0.341 31.547 31.823 0.108 0.000 0.704 1031 V HN 0.325 nan 8.190 nan 0.000 0.493 1032 L N -1.853 119.326 121.223 -0.072 0.000 2.577 1032 L HA 0.111 4.450 4.340 -0.001 0.000 0.225 1032 L C 2.281 179.101 176.870 -0.083 0.000 1.053 1032 L CA 0.352 55.150 54.840 -0.070 0.000 0.866 1032 L CB -0.173 41.842 42.059 -0.073 0.000 1.132 1032 L HN 0.214 nan 8.230 nan 0.000 0.486 1033 Q N 0.758 120.483 119.800 -0.125 0.000 2.036 1033 Q HA -0.092 4.247 4.340 -0.001 0.000 0.195 1033 Q C 1.883 177.811 176.000 -0.120 0.000 0.971 1033 Q CA 1.643 57.373 55.803 -0.120 0.000 0.826 1033 Q CB 0.282 28.931 28.738 -0.149 0.000 0.896 1033 Q HN 0.341 nan 8.270 nan 0.000 0.449 1034 E N -0.892 119.171 120.200 -0.228 0.000 2.012 1034 E HA -0.040 4.310 4.350 -0.001 0.000 0.192 1034 E C -0.407 176.126 176.600 -0.111 0.000 0.977 1034 E CA 0.650 56.904 56.400 -0.244 0.000 0.832 1034 E CB -0.092 29.332 29.700 -0.459 0.000 0.790 1034 E HN 0.304 nan 8.360 nan 0.000 0.466 1035 Y N -0.222 120.099 120.300 0.034 0.000 2.341 1035 Y HA 0.463 5.012 4.550 -0.001 0.000 0.340 1035 Y C 0.103 175.999 175.900 -0.007 0.000 0.997 1035 Y CA -0.839 57.291 58.100 0.050 0.000 1.149 1035 Y CB 0.530 39.028 38.460 0.064 0.000 1.171 1035 Y HN -0.174 nan 8.280 nan 0.000 0.494 1036 R N 4.337 124.883 120.500 0.078 0.000 4.306 1036 R HA 0.359 4.699 4.340 -0.001 0.000 0.266 1036 R C -0.599 175.671 176.300 -0.050 0.000 1.624 1036 R CA -0.294 55.771 56.100 -0.058 0.000 1.487 1036 R CB -0.272 29.880 30.300 -0.247 0.000 1.441 1036 R HN 0.852 nan 8.270 nan 0.000 0.750 1037 L N 0.427 121.676 121.223 0.043 0.000 2.483 1037 L HA 0.015 4.354 4.340 -0.001 0.000 0.277 1037 L C 1.116 177.981 176.870 -0.007 0.000 1.248 1037 L CA 0.578 55.444 54.840 0.042 0.000 0.825 1037 L CB 0.638 42.776 42.059 0.132 0.000 1.096 1037 L HN 0.419 nan 8.230 nan 0.000 0.512 1038 T N -1.342 113.207 114.554 -0.009 0.000 2.855 1038 T HA 0.224 4.573 4.350 -0.001 0.000 0.275 1038 T C 0.619 175.318 174.700 -0.003 0.000 1.022 1038 T CA -0.772 61.314 62.100 -0.023 0.000 0.977 1038 T CB 0.852 69.706 68.868 -0.022 0.000 1.559 1038 T HN 0.442 nan 8.240 nan 0.000 0.600 1039 K N -0.330 120.067 120.400 -0.006 0.000 2.365 1039 K HA 0.151 4.471 4.320 -0.001 0.000 0.197 1039 K C 2.024 178.658 176.600 0.056 0.000 1.042 1039 K CA 0.968 57.275 56.287 0.034 0.000 0.987 1039 K CB -0.051 32.458 32.500 0.016 0.000 0.779 1039 K HN 0.573 nan 8.250 nan 0.000 0.484 1040 Q N -0.042 119.725 119.800 -0.055 0.000 2.389 1040 Q HA 0.240 4.579 4.340 -0.001 0.000 0.201 1040 Q C -0.184 175.639 176.000 -0.294 0.000 0.956 1040 Q CA 0.806 56.551 55.803 -0.096 0.000 0.871 1040 Q CB 0.328 29.038 28.738 -0.047 0.000 0.990 1040 Q HN 0.278 nan 8.270 nan 0.000 0.554 1041 A N 0.290 122.535 122.820 -0.960 0.000 5.197 1041 A HA -0.318 4.002 4.320 -0.001 0.000 0.455 1041 A C 0.515 178.044 177.584 -0.093 0.000 1.860 1041 A CA 0.834 52.514 52.037 -0.594 0.000 1.705 1041 A CB -1.581 17.246 19.000 -0.288 0.000 1.857 1041 A HN 0.710 nan 8.150 nan 0.000 0.554 1042 F N -0.334 119.543 119.950 -0.120 0.000 1.932 1042 F HA -0.431 4.096 4.527 -0.001 0.000 0.295 1042 F C 1.461 177.250 175.800 -0.017 0.000 1.141 1042 F CA 3.588 61.564 58.000 -0.039 0.000 1.940 1042 F CB -1.254 37.724 39.000 -0.037 0.000 0.722 1042 F HN 0.914 nan 8.300 nan 0.000 0.247 1043 D N -0.726 119.690 120.400 0.027 0.000 2.191 1043 D HA -0.303 4.336 4.640 -0.001 0.000 0.190 1043 D C 1.576 177.821 176.300 -0.091 0.000 1.007 1043 D CA 2.022 55.988 54.000 -0.056 0.000 0.865 1043 D CB -0.860 39.982 40.800 0.070 0.000 0.929 1043 D HN 0.664 nan 8.370 nan 0.000 0.447 1044 W N 1.172 122.356 121.300 -0.193 0.000 2.315 1044 W HA -0.249 4.411 4.660 -0.001 0.000 0.323 1044 W C 2.376 178.802 176.519 -0.156 0.000 1.233 1044 W CA 1.582 58.848 57.345 -0.132 0.000 1.267 1044 W CB -0.762 28.613 29.460 -0.142 0.000 1.160 1044 W HN -0.179 nan 8.180 nan 0.000 0.474 1045 V N 0.829 120.594 119.914 -0.249 0.000 2.332 1045 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 1045 V C 2.310 178.094 176.094 -0.518 0.000 1.055 1045 V CA 1.990 64.012 62.300 -0.463 0.000 1.038 1045 V CB -1.094 30.587 31.823 -0.237 0.000 0.651 1045 V HN 0.299 nan 8.190 nan 0.000 0.450 1046 L N -0.453 120.416 121.223 -0.590 0.000 1.989 1046 L HA -0.182 4.158 4.340 -0.001 0.000 0.211 1046 L C 2.653 179.336 176.870 -0.313 0.000 1.071 1046 L CA 2.443 56.986 54.840 -0.495 0.000 0.749 1046 L CB -0.609 41.117 42.059 -0.555 0.000 0.890 1046 L HN 0.273 nan 8.230 nan 0.000 0.431 1047 S N -0.785 114.743 115.700 -0.286 0.000 2.382 1047 S HA -0.175 4.294 4.470 -0.001 0.000 0.228 1047 S C 1.860 176.309 174.600 -0.251 0.000 1.027 1047 S CA 1.314 59.390 58.200 -0.207 0.000 0.991 1047 S CB -0.427 62.687 63.200 -0.143 0.000 0.823 1047 S HN 0.515 nan 8.310 nan 0.000 0.469 1048 N N 0.746 119.184 118.700 -0.437 0.000 2.058 1048 N HA -0.043 4.696 4.740 -0.001 0.000 0.191 1048 N C 1.801 177.163 175.510 -0.246 0.000 1.037 1048 N CA 1.404 54.184 53.050 -0.450 0.000 0.848 1048 N CB -0.258 37.719 38.487 -0.849 0.000 1.021 1048 N HN 0.367 nan 8.380 nan 0.000 0.422 1049 I N 1.450 121.885 120.570 -0.226 0.000 2.208 1049 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 1049 I C 2.553 178.674 176.117 0.008 0.000 1.097 1049 I CA 1.162 62.418 61.300 -0.074 0.000 1.363 1049 I CB -0.197 37.759 38.000 -0.073 0.000 1.051 1049 I HN 0.272 nan 8.210 nan 0.000 0.413 1050 E N 1.200 121.375 120.200 -0.040 0.000 2.023 1050 E HA -0.279 4.071 4.350 -0.001 0.000 0.196 1050 E C 2.213 178.842 176.600 0.048 0.000 1.003 1050 E CA 1.726 58.136 56.400 0.016 0.000 0.809 1050 E CB -0.187 29.498 29.700 -0.026 0.000 0.755 1050 E HN 0.446 nan 8.360 nan 0.000 0.449 1051 A N 0.425 123.235 122.820 -0.016 0.000 1.978 1051 A HA -0.232 4.087 4.320 -0.001 0.000 0.220 1051 A C 2.142 179.730 177.584 0.006 0.000 1.170 1051 A CA 1.701 53.731 52.037 -0.012 0.000 0.636 1051 A CB -0.476 18.500 19.000 -0.040 0.000 0.810 1051 A HN 0.402 nan 8.150 nan 0.000 0.448 1052 Q N -2.264 117.547 119.800 0.018 0.000 2.212 1052 Q HA -0.042 4.297 4.340 -0.001 0.000 0.199 1052 Q C 1.844 177.880 176.000 0.061 0.000 0.950 1052 Q CA 0.908 56.737 55.803 0.044 0.000 0.863 1052 Q CB -0.167 28.600 28.738 0.048 0.000 0.944 1052 Q HN 0.732 nan 8.270 nan 0.000 0.465 1053 F N 1.773 121.673 119.950 -0.083 0.000 2.014 1053 F HA -0.231 4.296 4.527 -0.001 0.000 0.295 1053 F C 1.956 177.659 175.800 -0.161 0.000 1.145 1053 F CA 1.423 59.325 58.000 -0.163 0.000 1.178 1053 F CB -0.550 38.334 39.000 -0.194 0.000 0.972 1053 F HN -0.053 nan 8.300 nan 0.000 0.476 1054 L N 0.044 121.193 121.223 -0.123 0.000 2.137 1054 L HA -0.289 4.050 4.340 -0.001 0.000 0.213 1054 L C 2.586 179.287 176.870 -0.282 0.000 1.085 1054 L CA 1.525 56.226 54.840 -0.232 0.000 0.760 1054 L CB -0.714 41.305 42.059 -0.066 0.000 0.893 1054 L HN 0.180 nan 8.230 nan 0.000 0.434 1055 R N -0.645 119.734 120.500 -0.201 0.000 2.235 1055 R HA -0.026 4.314 4.340 -0.001 0.000 0.213 1055 R C 1.835 177.887 176.300 -0.413 0.000 1.059 1055 R CA 0.880 56.867 56.100 -0.188 0.000 0.997 1055 R CB 0.054 30.335 30.300 -0.032 0.000 0.884 1055 R HN 0.295 nan 8.270 nan 0.000 0.462 1056 S N 0.072 115.490 115.700 -0.470 0.000 2.605 1056 S HA 0.096 4.566 4.470 -0.001 0.000 0.217 1056 S C 0.549 174.805 174.600 -0.572 0.000 0.958 1056 S CA -0.276 57.577 58.200 -0.579 0.000 0.919 1056 S CB 0.378 63.401 63.200 -0.294 0.000 0.780 1056 S HN -0.073 nan 8.310 nan 0.000 0.507 1057 V N 2.121 121.673 119.914 -0.602 0.000 3.051 1057 V HA 0.109 4.229 4.120 -0.001 0.000 0.306 1057 V C 0.764 176.574 176.094 -0.473 0.000 1.083 1057 V CA -0.621 61.372 62.300 -0.512 0.000 1.104 1057 V CB 0.760 32.293 31.823 -0.484 0.000 1.027 1057 V HN 0.140 nan 8.190 nan 0.000 0.483 1058 V N 3.467 123.202 119.914 -0.299 0.000 2.585 1058 V HA 0.039 4.159 4.120 -0.001 0.000 0.296 1058 V C 0.504 176.410 176.094 -0.314 0.000 1.035 1058 V CA -0.185 61.973 62.300 -0.237 0.000 1.084 1058 V CB -0.136 31.585 31.823 -0.171 0.000 0.953 1058 V HN 0.750 nan 8.190 nan 0.000 0.483 1059 H N 5.582 124.547 119.070 -0.175 0.000 2.934 1059 H HA 0.190 4.746 4.556 -0.001 0.000 0.273 1059 H C -2.221 172.976 175.328 -0.219 0.000 1.121 1059 H CA -1.923 54.027 56.048 -0.163 0.000 1.451 1059 H CB 0.629 30.324 29.762 -0.112 0.000 1.469 1059 H HN 0.481 nan 8.280 nan 0.000 0.476 1060 P HA -0.081 nan 4.420 nan 0.000 0.260 1060 P C 1.095 178.114 177.300 -0.469 0.000 1.172 1060 P CA 1.235 64.052 63.100 -0.473 0.000 0.760 1060 P CB 0.579 31.753 31.700 -0.877 0.000 0.773 1061 G N 2.460 111.076 108.800 -0.306 0.000 2.481 1061 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.200 1061 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.200 1061 G C 0.231 175.074 174.900 -0.093 0.000 1.012 1061 G CA -0.284 44.735 45.100 -0.135 0.000 0.676 1061 G HN 0.597 nan 8.290 nan 0.000 0.488 1062 E N 2.382 122.517 120.200 -0.108 0.000 2.603 1062 E HA 0.273 4.622 4.350 -0.001 0.000 0.242 1062 E C 0.957 177.486 176.600 -0.118 0.000 1.083 1062 E CA 0.129 56.462 56.400 -0.111 0.000 0.950 1062 E CB -0.021 29.585 29.700 -0.157 0.000 0.952 1062 E HN 0.190 nan 8.360 nan 0.000 0.498 1063 M N 5.879 125.433 119.600 -0.077 0.000 2.869 1063 M HA -0.002 4.477 4.480 -0.001 0.000 0.299 1063 M C 0.264 176.531 176.300 -0.056 0.000 1.508 1063 M CA 0.164 55.431 55.300 -0.055 0.000 1.551 1063 M CB 0.123 32.700 32.600 -0.038 0.000 1.384 1063 M HN 0.435 nan 8.290 nan 0.000 0.491 1064 V N 2.509 122.382 119.914 -0.068 0.000 3.129 1064 V HA -0.064 4.056 4.120 -0.001 0.000 0.259 1064 V C 2.089 178.201 176.094 0.030 0.000 1.116 1064 V CA 1.688 63.964 62.300 -0.041 0.000 1.127 1064 V CB -0.519 31.247 31.823 -0.094 0.000 0.742 1064 V HN 0.922 nan 8.190 nan 0.000 0.474 1065 G N 0.314 109.116 108.800 0.003 0.000 2.464 1065 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.214 1065 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.214 1065 G C 1.634 176.519 174.900 -0.025 0.000 1.218 1065 G CA 1.152 46.245 45.100 -0.011 0.000 0.794 1065 G HN 0.328 nan 8.290 nan 0.000 0.542 1066 V N 0.830 120.728 119.914 -0.028 0.000 2.439 1066 V HA -0.172 3.948 4.120 -0.001 0.000 0.253 1066 V C 2.795 178.864 176.094 -0.042 0.000 1.074 1066 V CA 1.573 63.854 62.300 -0.032 0.000 1.076 1066 V CB -0.409 31.401 31.823 -0.021 0.000 0.664 1066 V HN 0.316 nan 8.190 nan 0.000 0.461 1067 L N -0.839 120.365 121.223 -0.031 0.000 2.131 1067 L HA -0.032 4.307 4.340 -0.001 0.000 0.206 1067 L C 2.537 179.301 176.870 -0.176 0.000 1.087 1067 L CA 1.153 55.959 54.840 -0.056 0.000 0.767 1067 L CB -0.448 41.627 42.059 0.026 0.000 0.917 1067 L HN 0.351 nan 8.230 nan 0.000 0.441 1068 A N -0.081 122.705 122.820 -0.057 0.000 1.828 1068 A HA -0.199 4.121 4.320 -0.001 0.000 0.215 1068 A C 2.453 179.951 177.584 -0.143 0.000 1.203 1068 A CA 1.769 53.767 52.037 -0.064 0.000 0.614 1068 A CB -1.135 17.898 19.000 0.055 0.000 0.844 1068 A HN 0.420 nan 8.150 nan 0.000 0.445 1069 A N -0.998 121.767 122.820 -0.093 0.000 1.859 1069 A HA -0.321 3.999 4.320 -0.001 0.000 0.218 1069 A C 2.135 179.664 177.584 -0.093 0.000 1.209 1069 A CA 2.126 54.108 52.037 -0.090 0.000 0.639 1069 A CB -1.037 17.910 19.000 -0.089 0.000 0.835 1069 A HN 0.649 nan 8.150 nan 0.000 0.450 1070 Q N -0.637 119.112 119.800 -0.084 0.000 2.118 1070 Q HA -0.215 4.125 4.340 -0.001 0.000 0.211 1070 Q C 2.398 178.351 176.000 -0.078 0.000 0.998 1070 Q CA 2.155 57.923 55.803 -0.058 0.000 0.872 1070 Q CB -0.333 28.394 28.738 -0.019 0.000 0.925 1070 Q HN 0.690 nan 8.270 nan 0.000 0.414 1071 S N -0.085 115.518 115.700 -0.161 0.000 2.489 1071 S HA 0.026 4.495 4.470 -0.001 0.000 0.228 1071 S C 1.687 176.226 174.600 -0.101 0.000 0.995 1071 S CA 0.547 58.636 58.200 -0.185 0.000 0.934 1071 S CB 0.131 63.008 63.200 -0.538 0.000 0.771 1071 S HN 0.288 nan 8.310 nan 0.000 0.522 1072 I N 0.460 120.980 120.570 -0.083 0.000 3.941 1072 I HA 0.140 4.310 4.170 -0.001 0.000 0.321 1072 I C 2.040 178.134 176.117 -0.038 0.000 1.284 1072 I CA 0.208 61.489 61.300 -0.031 0.000 1.226 1072 I CB 0.232 38.225 38.000 -0.011 0.000 1.045 1072 I HN 0.305 nan 8.210 nan 0.000 0.420 1073 G N -0.219 108.547 108.800 -0.057 0.000 3.020 1073 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.217 1073 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.217 1073 G C 1.335 176.194 174.900 -0.068 0.000 1.144 1073 G CA -0.017 45.050 45.100 -0.055 0.000 0.760 1073 G HN 0.178 nan 8.290 nan 0.000 0.548 1074 E N 0.835 120.981 120.200 -0.091 0.000 2.110 1074 E HA 0.046 4.395 4.350 -0.001 0.000 0.193 1074 E C -0.431 176.113 176.600 -0.093 0.000 0.950 1074 E CA 0.156 56.470 56.400 -0.142 0.000 0.840 1074 E CB -0.164 29.364 29.700 -0.286 0.000 0.809 1074 E HN 0.122 nan 8.360 nan 0.000 0.465 1075 P HA -0.228 nan 4.420 nan 0.000 0.217 1075 P C 1.266 178.554 177.300 -0.021 0.000 1.162 1075 P CA 2.690 65.778 63.100 -0.020 0.000 0.901 1075 P CB -0.330 31.371 31.700 0.001 0.000 0.793 1076 A N -0.925 121.881 122.820 -0.023 0.000 1.909 1076 A HA -0.334 3.986 4.320 -0.001 0.000 0.221 1076 A C 2.221 179.794 177.584 -0.018 0.000 1.223 1076 A CA 3.370 55.397 52.037 -0.017 0.000 0.658 1076 A CB -2.050 16.939 19.000 -0.020 0.000 0.831 1076 A HN 0.319 nan 8.150 nan 0.000 0.462 1077 T N -0.889 113.647 114.554 -0.030 0.000 2.904 1077 T HA -0.043 4.307 4.350 -0.001 0.000 0.267 1077 T C 0.980 175.668 174.700 -0.021 0.000 1.059 1077 T CA 1.232 63.316 62.100 -0.027 0.000 1.137 1077 T CB -0.088 68.755 68.868 -0.041 0.000 0.879 1077 T HN 0.453 nan 8.240 nan 0.000 0.467 1078 Q N 0.710 120.496 119.800 -0.022 0.000 2.735 1078 Q HA 0.448 4.787 4.340 -0.001 0.000 0.380 1078 Q C -0.397 175.605 176.000 0.003 0.000 1.060 1078 Q CA 0.056 55.854 55.803 -0.008 0.000 1.025 1078 Q CB -0.096 28.637 28.738 -0.009 0.000 1.350 1078 Q HN 0.560 nan 8.270 nan 0.000 0.424 1079 M N -0.365 119.236 119.600 0.002 0.000 2.654 1079 M HA 0.430 4.910 4.480 -0.001 0.000 0.310 1079 M C 0.216 176.521 176.300 0.008 0.000 1.211 1079 M CA -0.355 54.950 55.300 0.007 0.000 0.947 1079 M CB 2.060 34.662 32.600 0.002 0.000 1.647 1079 M HN -0.040 nan 8.290 nan 0.000 0.481 1080 T N 0.887 115.448 114.554 0.010 0.000 2.916 1080 T HA 0.636 4.986 4.350 -0.001 0.000 0.292 1080 T C -0.977 173.716 174.700 -0.011 0.000 1.064 1080 T CA -0.557 61.547 62.100 0.007 0.000 1.011 1080 T CB 0.752 69.636 68.868 0.027 0.000 1.152 1080 T HN 0.670 nan 8.240 nan 0.000 0.510 1081 L N 3.224 124.433 121.223 -0.023 0.000 3.244 1081 L HA -0.232 4.108 4.340 -0.001 0.000 0.589 1081 L C 0.851 177.661 176.870 -0.100 0.000 1.005 1081 L CA 0.267 55.072 54.840 -0.059 0.000 1.258 1081 L CB -0.989 41.039 42.059 -0.051 0.000 1.311 1081 L HN 0.869 nan 8.230 nan 0.000 0.677 1082 N N -0.697 117.930 118.700 -0.121 0.000 2.494 1082 N HA -0.056 4.684 4.740 -0.001 0.000 0.182 1082 N C 0.875 176.191 175.510 -0.322 0.000 1.076 1082 N CA 0.855 53.809 53.050 -0.159 0.000 0.908 1082 N CB 0.102 38.527 38.487 -0.103 0.000 0.967 1082 N HN 0.637 nan 8.380 nan 0.000 0.449 1083 T N -0.340 113.972 114.554 -0.403 0.000 4.776 1083 T HA 0.380 4.730 4.350 -0.001 0.000 0.241 1083 T C 0.051 174.164 174.700 -0.979 0.000 0.809 1083 T CA 0.487 62.092 62.100 -0.825 0.000 1.951 1083 T CB -0.088 68.516 68.868 -0.440 0.000 1.929 1083 T HN 0.276 nan 8.240 nan 0.000 0.316 1084 F N -1.518 118.442 119.950 0.016 0.000 3.870 1084 F HA 0.308 4.835 4.527 -0.001 0.000 0.319 1084 F C -0.145 175.653 175.800 -0.005 0.000 0.975 1084 F CA -1.175 56.825 58.000 0.000 0.000 0.799 1084 F CB 0.169 39.275 39.000 0.176 0.000 1.712 1084 F HN 0.655 nan 8.300 nan 0.000 0.460 1085 H N -1.077 118.275 119.070 0.469 0.000 2.492 1085 H HA 0.412 4.967 4.556 -0.001 0.000 0.264 1085 H C -0.194 175.192 175.328 0.097 0.000 1.150 1085 H CA -0.172 56.025 56.048 0.249 0.000 0.962 1085 H CB -0.188 29.641 29.762 0.111 0.000 1.766 1085 H HN 0.363 nan 8.280 nan 0.000 0.589 1086 F N 1.717 121.696 119.950 0.049 0.000 2.748 1086 F HA 0.192 4.718 4.527 -0.001 0.000 0.299 1086 F C 2.240 177.995 175.800 -0.076 0.000 1.154 1086 F CA 0.508 58.373 58.000 -0.226 0.000 1.446 1086 F CB 0.316 38.816 39.000 -0.834 0.000 1.112 1086 F HN 0.391 nan 8.300 nan 0.000 0.584 1087 A N -0.071 122.959 122.820 0.350 0.000 2.259 1087 A HA 0.275 4.594 4.320 -0.001 0.000 0.208 1087 A C 2.376 180.065 177.584 0.175 0.000 1.201 1087 A CA 0.819 53.052 52.037 0.326 0.000 0.824 1087 A CB -1.248 17.994 19.000 0.403 0.000 0.838 1087 A HN 0.376 nan 8.150 nan 0.000 0.485 1088 G N -0.039 108.836 108.800 0.126 0.000 2.414 1088 G HA2 0.032 3.991 3.960 -0.001 0.000 0.215 1088 G HA3 0.032 3.991 3.960 -0.001 0.000 0.215 1088 G C 0.695 175.626 174.900 0.052 0.000 1.188 1088 G CA 0.984 46.124 45.100 0.068 0.000 0.783 1088 G HN 0.427 nan 8.290 nan 0.000 0.537 1089 V N 1.840 121.788 119.914 0.056 0.000 2.364 1089 V HA 0.458 4.577 4.120 -0.001 0.000 0.252 1089 V C 1.385 177.522 176.094 0.071 0.000 1.075 1089 V CA -0.152 62.178 62.300 0.051 0.000 1.033 1089 V CB 0.144 31.996 31.823 0.049 0.000 1.116 1089 V HN 0.375 nan 8.190 nan 0.000 0.488 1090 A N 3.829 126.685 122.820 0.061 0.000 2.250 1090 A HA 0.115 4.434 4.320 -0.001 0.000 0.208 1090 A C 1.832 179.455 177.584 0.066 0.000 1.254 1090 A CA 0.995 53.075 52.037 0.073 0.000 0.858 1090 A CB -0.296 18.733 19.000 0.049 0.000 0.820 1090 A HN 1.025 nan 8.150 nan 0.000 0.484 1091 S N -2.013 113.720 115.700 0.056 0.000 2.691 1091 S HA 0.158 4.627 4.470 -0.001 0.000 0.258 1091 S C 0.962 175.581 174.600 0.031 0.000 1.078 1091 S CA -0.054 58.173 58.200 0.044 0.000 1.000 1091 S CB -0.280 62.939 63.200 0.032 0.000 0.942 1091 S HN 0.328 nan 8.310 nan 0.000 0.521 1092 K N 2.298 122.712 120.400 0.023 0.000 2.743 1092 K HA 0.178 4.498 4.320 -0.001 0.000 0.219 1092 K C -0.228 176.250 176.600 -0.204 0.000 1.003 1092 K CA 0.077 56.348 56.287 -0.027 0.000 1.156 1092 K CB -0.051 32.495 32.500 0.077 0.000 0.932 1092 K HN 0.197 nan 8.250 nan 0.000 0.490 1093 K N 1.834 122.202 120.400 -0.054 0.000 2.199 1093 K HA 0.011 4.330 4.320 -0.001 0.000 0.226 1093 K C -0.238 176.399 176.600 0.061 0.000 1.237 1093 K CA 0.081 56.447 56.287 0.132 0.000 1.170 1093 K CB -0.471 32.188 32.500 0.266 0.000 1.418 1093 K HN 0.021 nan 8.250 nan 0.000 0.255 1094 V N -0.469 119.359 119.914 -0.143 0.000 2.432 1094 V HA 0.126 4.245 4.120 -0.001 0.000 0.271 1094 V C 0.495 176.625 176.094 0.060 0.000 1.046 1094 V CA -0.941 61.310 62.300 -0.082 0.000 0.945 1094 V CB 0.507 32.215 31.823 -0.191 0.000 0.992 1094 V HN 0.427 nan 8.190 nan 0.000 0.471 1095 T N 3.904 118.508 114.554 0.083 0.000 2.734 1095 T HA 0.341 4.690 4.350 -0.001 0.000 0.269 1095 T C 0.697 175.438 174.700 0.069 0.000 0.964 1095 T CA 0.382 62.538 62.100 0.093 0.000 1.226 1095 T CB -0.699 68.191 68.868 0.037 0.000 0.910 1095 T HN 1.216 nan 8.240 nan 0.000 0.534 1096 S N 2.244 118.008 115.700 0.107 0.000 3.081 1096 S HA 0.976 5.446 4.470 -0.001 0.000 0.316 1096 S C 0.595 175.195 174.600 -0.000 0.000 1.089 1096 S CA -0.334 57.897 58.200 0.052 0.000 0.897 1096 S CB 1.209 64.437 63.200 0.046 0.000 1.358 1096 S HN 1.646 nan 8.310 nan 0.000 0.678 1097 G N -0.412 108.390 108.800 0.004 0.000 2.584 1097 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.229 1097 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.229 1097 G C 0.568 175.459 174.900 -0.014 0.000 1.320 1097 G CA 0.070 45.153 45.100 -0.027 0.000 0.891 1097 G HN 1.528 nan 8.290 nan 0.000 0.573 1098 V N 1.388 121.291 119.914 -0.019 0.000 2.270 1098 V HA -0.072 4.047 4.120 -0.001 0.000 0.245 1098 V C 0.539 176.633 176.094 -0.001 0.000 1.043 1098 V CA 2.944 65.241 62.300 -0.006 0.000 1.014 1098 V CB -1.741 30.081 31.823 -0.002 0.000 0.645 1098 V HN 0.599 nan 8.190 nan 0.000 0.447 1099 P HA -0.287 nan 4.420 nan 0.000 0.226 1099 P C 1.721 179.027 177.300 0.010 0.000 1.154 1099 P CA 2.169 65.266 63.100 -0.005 0.000 0.901 1099 P CB -0.128 31.555 31.700 -0.027 0.000 0.788 1100 R N -0.384 120.123 120.500 0.013 0.000 2.096 1100 R HA -0.128 4.211 4.340 -0.001 0.000 0.229 1100 R C 2.149 178.477 176.300 0.047 0.000 1.134 1100 R CA 1.565 57.685 56.100 0.033 0.000 0.917 1100 R CB -1.721 28.600 30.300 0.034 0.000 0.832 1100 R HN 0.038 nan 8.270 nan 0.000 0.430 1101 L N 1.385 122.630 121.223 0.036 0.000 2.151 1101 L HA -0.215 4.124 4.340 -0.001 0.000 0.215 1101 L C 2.183 179.075 176.870 0.036 0.000 1.084 1101 L CA 1.995 56.856 54.840 0.035 0.000 0.764 1101 L CB -0.547 41.521 42.059 0.016 0.000 0.891 1101 L HN 0.323 nan 8.230 nan 0.000 0.435 1102 K N -0.856 119.564 120.400 0.033 0.000 2.062 1102 K HA -0.152 4.167 4.320 -0.001 0.000 0.205 1102 K C 1.959 178.588 176.600 0.049 0.000 1.051 1102 K CA 1.371 57.679 56.287 0.035 0.000 0.941 1102 K CB 0.008 32.529 32.500 0.035 0.000 0.719 1102 K HN 0.423 nan 8.250 nan 0.000 0.440 1103 E N 0.404 120.635 120.200 0.052 0.000 2.106 1103 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 1103 E C 1.962 178.634 176.600 0.120 0.000 0.984 1103 E CA 1.027 57.462 56.400 0.058 0.000 0.806 1103 E CB 0.031 29.750 29.700 0.032 0.000 0.750 1103 E HN 0.290 nan 8.360 nan 0.000 0.458 1104 I N 0.564 121.237 120.570 0.171 0.000 2.163 1104 I HA -0.269 3.900 4.170 -0.001 0.000 0.240 1104 I C 2.136 178.374 176.117 0.201 0.000 1.081 1104 I CA 1.034 62.518 61.300 0.306 0.000 1.353 1104 I CB -0.062 38.074 38.000 0.227 0.000 1.054 1104 I HN 0.087 nan 8.210 nan 0.000 0.407 1105 L N 0.351 121.629 121.223 0.092 0.000 2.217 1105 L HA -0.135 4.205 4.340 -0.001 0.000 0.211 1105 L C 1.689 178.596 176.870 0.061 0.000 1.107 1105 L CA 0.875 55.741 54.840 0.043 0.000 0.783 1105 L CB -0.577 41.478 42.059 -0.006 0.000 0.919 1105 L HN 0.259 nan 8.230 nan 0.000 0.442 1106 N N -0.538 118.206 118.700 0.073 0.000 2.571 1106 N HA -0.015 4.725 4.740 -0.001 0.000 0.189 1106 N C 0.167 175.723 175.510 0.076 0.000 1.154 1106 N CA 0.174 53.264 53.050 0.067 0.000 0.907 1106 N CB -0.035 38.482 38.487 0.050 0.000 0.977 1106 N HN -0.085 nan 8.380 nan 0.000 0.449 1107 V N 0.367 120.365 119.914 0.140 0.000 5.882 1107 V HA -0.282 3.837 4.120 -0.001 0.000 0.179 1107 V C 0.610 176.743 176.094 0.065 0.000 0.704 1107 V CA 0.294 62.708 62.300 0.189 0.000 0.539 1107 V CB -2.489 29.450 31.823 0.194 0.000 0.377 1107 V HN 0.389 nan 8.190 nan 0.000 0.413 1108 A N 4.335 127.168 122.820 0.022 0.000 2.440 1108 A HA 0.542 4.861 4.320 -0.001 0.000 0.251 1108 A C 1.229 178.767 177.584 -0.077 0.000 1.089 1108 A CA -0.269 51.749 52.037 -0.032 0.000 0.779 1108 A CB 0.550 19.532 19.000 -0.030 0.000 1.022 1108 A HN 0.539 nan 8.150 nan 0.000 0.492 1109 K N 1.194 121.556 120.400 -0.063 0.000 2.098 1109 K HA -0.037 4.283 4.320 -0.001 0.000 0.203 1109 K C 0.324 176.880 176.600 -0.073 0.000 1.051 1109 K CA 1.298 57.544 56.287 -0.068 0.000 0.957 1109 K CB -0.167 32.303 32.500 -0.048 0.000 0.738 1109 K HN 0.931 nan 8.250 nan 0.000 0.447 1110 N N 2.339 121.005 118.700 -0.058 0.000 2.801 1110 N HA 0.142 4.882 4.740 -0.001 0.000 0.235 1110 N C 0.178 175.657 175.510 -0.052 0.000 1.069 1110 N CA -0.188 52.832 53.050 -0.051 0.000 0.946 1110 N CB 0.456 38.922 38.487 -0.035 0.000 1.212 1110 N HN 0.049 nan 8.380 nan 0.000 0.509 1111 M N -0.103 119.454 119.600 -0.071 0.000 2.247 1111 M HA 0.244 4.723 4.480 -0.001 0.000 0.326 1111 M C 0.430 176.704 176.300 -0.043 0.000 1.134 1111 M CA -0.390 54.870 55.300 -0.067 0.000 1.136 1111 M CB 2.021 34.557 32.600 -0.107 0.000 1.454 1111 M HN 0.198 nan 8.290 nan 0.000 0.467 1112 K N 0.845 121.229 120.400 -0.027 0.000 2.044 1112 K HA 0.090 4.409 4.320 -0.001 0.000 0.204 1112 K C -0.004 176.591 176.600 -0.007 0.000 1.045 1112 K CA 1.096 57.375 56.287 -0.013 0.000 0.951 1112 K CB 0.330 32.827 32.500 -0.005 0.000 0.738 1112 K HN 0.826 nan 8.250 nan 0.000 0.443 1113 T N 3.946 118.498 114.554 -0.003 0.000 3.332 1113 T HA 0.298 4.648 4.350 -0.001 0.000 0.385 1113 T C -2.695 172.002 174.700 -0.005 0.000 1.695 1113 T CA -1.434 60.668 62.100 0.004 0.000 1.397 1113 T CB 1.485 70.366 68.868 0.022 0.000 1.100 1113 T HN 0.067 nan 8.240 nan 0.000 0.669 1114 P HA 0.560 nan 4.420 nan 0.000 0.286 1114 P C -0.749 176.545 177.300 -0.010 0.000 1.261 1114 P CA -0.617 62.467 63.100 -0.026 0.000 0.821 1114 P CB 1.147 32.819 31.700 -0.047 0.000 1.013 1115 S N 2.878 118.575 115.700 -0.004 0.000 2.592 1115 S HA 0.378 4.848 4.470 -0.001 0.000 0.275 1115 S C -1.148 173.461 174.600 0.015 0.000 1.169 1115 S CA -0.749 57.459 58.200 0.014 0.000 0.958 1115 S CB 0.257 63.478 63.200 0.034 0.000 1.095 1115 S HN 0.123 nan 8.310 nan 0.000 0.471 1116 L N 4.087 125.311 121.223 0.003 0.000 2.397 1116 L HA 0.533 4.873 4.340 -0.001 0.000 0.271 1116 L C 1.138 178.006 176.870 -0.002 0.000 1.148 1116 L CA 0.458 55.295 54.840 -0.006 0.000 0.825 1116 L CB 1.102 43.151 42.059 -0.016 0.000 1.117 1116 L HN 1.032 nan 8.230 nan 0.000 0.456 1117 T N -0.696 113.836 114.554 -0.036 0.000 3.630 1117 T HA 0.305 4.654 4.350 -0.001 0.000 0.238 1117 T C -0.016 174.525 174.700 -0.265 0.000 1.195 1117 T CA -0.659 61.375 62.100 -0.111 0.000 1.433 1117 T CB -0.172 68.626 68.868 -0.117 0.000 0.940 1117 T HN 0.323 nan 8.240 nan 0.000 0.641 1118 V N 0.212 120.039 119.914 -0.144 0.000 2.928 1118 V HA 0.356 4.475 4.120 -0.001 0.000 0.307 1118 V C -0.438 175.609 176.094 -0.079 0.000 1.105 1118 V CA -0.389 61.837 62.300 -0.123 0.000 1.223 1118 V CB -0.444 31.368 31.823 -0.018 0.000 0.930 1118 V HN 0.606 nan 8.190 nan 0.000 0.499 1119 Y N 2.732 123.032 120.300 -0.000 0.000 2.487 1119 Y HA 0.654 5.204 4.550 -0.001 0.000 0.337 1119 Y C 0.191 176.105 175.900 0.022 0.000 1.076 1119 Y CA -1.225 56.869 58.100 -0.009 0.000 1.115 1119 Y CB 2.035 40.486 38.460 -0.015 0.000 1.235 1119 Y HN 0.563 nan 8.280 nan 0.000 0.468 1120 L N 1.700 123.053 121.223 0.217 0.000 2.357 1120 L HA 0.170 4.509 4.340 -0.001 0.000 0.273 1120 L C 0.257 177.191 176.870 0.108 0.000 1.080 1120 L CA -0.117 54.810 54.840 0.146 0.000 0.803 1120 L CB 0.922 43.075 42.059 0.157 0.000 1.174 1120 L HN 0.582 nan 8.230 nan 0.000 0.443 1121 E N 4.576 124.831 120.200 0.091 0.000 2.653 1121 E HA -0.113 4.236 4.350 -0.001 0.000 0.264 1121 E C -1.520 175.107 176.600 0.044 0.000 0.949 1121 E CA -0.880 55.558 56.400 0.063 0.000 0.953 1121 E CB 0.703 30.438 29.700 0.059 0.000 0.925 1121 E HN 0.358 nan 8.360 nan 0.000 0.475 1122 P HA -0.188 nan 4.420 nan 0.000 0.222 1122 P C 0.223 177.514 177.300 -0.014 0.000 1.157 1122 P CA 1.656 64.753 63.100 -0.004 0.000 0.905 1122 P CB 0.076 31.767 31.700 -0.015 0.000 0.792 1123 G N -1.436 107.343 108.800 -0.035 0.000 2.739 1123 G HA2 0.304 4.263 3.960 -0.001 0.000 0.292 1123 G HA3 0.304 4.263 3.960 -0.001 0.000 0.292 1123 G C -1.340 173.480 174.900 -0.134 0.000 1.444 1123 G CA -0.353 44.692 45.100 -0.092 0.000 1.144 1123 G HN 0.018 nan 8.290 nan 0.000 0.550 1124 H N 2.009 121.099 119.070 0.034 0.000 2.767 1124 H HA 0.399 4.954 4.556 -0.001 0.000 0.316 1124 H C 0.885 176.253 175.328 0.066 0.000 1.059 1124 H CA 0.659 56.736 56.048 0.048 0.000 1.461 1124 H CB 2.101 31.893 29.762 0.050 0.000 1.475 1124 H HN 0.612 nan 8.280 nan 0.000 0.531 1125 A N 2.985 125.915 122.820 0.183 0.000 2.108 1125 A HA 0.325 4.645 4.320 -0.001 0.000 0.206 1125 A C 1.757 179.471 177.584 0.217 0.000 1.212 1125 A CA 0.799 52.926 52.037 0.149 0.000 0.843 1125 A CB 0.313 19.352 19.000 0.064 0.000 0.902 1125 A HN 0.671 nan 8.150 nan 0.000 0.477 1126 A N -0.289 122.679 122.820 0.247 0.000 2.417 1126 A HA 0.367 4.687 4.320 -0.001 0.000 0.224 1126 A C 0.751 178.533 177.584 0.329 0.000 2.273 1126 A CA 0.771 53.009 52.037 0.335 0.000 1.018 1126 A CB -0.772 18.350 19.000 0.203 0.000 1.400 1126 A HN 0.318 nan 8.150 nan 0.000 0.580 1127 D N -0.083 120.428 120.400 0.185 0.000 2.861 1127 D HA -0.243 4.396 4.640 -0.001 0.000 0.216 1127 D C 1.214 177.512 176.300 -0.003 0.000 1.220 1127 D CA 0.925 54.928 54.000 0.004 0.000 0.602 1127 D CB -0.449 40.153 40.800 -0.330 0.000 1.007 1127 D HN 0.369 nan 8.370 nan 0.000 0.400 1128 Q N 0.215 120.073 119.800 0.097 0.000 2.377 1128 Q HA -0.401 3.938 4.340 -0.001 0.000 0.225 1128 Q C 1.661 177.472 176.000 -0.315 0.000 1.097 1128 Q CA 2.551 58.264 55.803 -0.150 0.000 0.985 1128 Q CB -0.512 28.197 28.738 -0.050 0.000 1.071 1128 Q HN 0.823 nan 8.270 nan 0.000 0.505 1129 E N 0.078 120.162 120.200 -0.194 0.000 2.268 1129 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 1129 E C 1.819 178.329 176.600 -0.149 0.000 0.995 1129 E CA 1.456 57.747 56.400 -0.181 0.000 0.836 1129 E CB -0.067 29.555 29.700 -0.130 0.000 0.763 1129 E HN 0.458 nan 8.360 nan 0.000 0.491 1130 Q N 1.142 120.865 119.800 -0.128 0.000 2.029 1130 Q HA -0.209 4.130 4.340 -0.001 0.000 0.209 1130 Q C 2.087 178.048 176.000 -0.065 0.000 0.999 1130 Q CA 2.864 58.616 55.803 -0.085 0.000 0.857 1130 Q CB -0.682 28.017 28.738 -0.066 0.000 0.926 1130 Q HN 0.282 nan 8.270 nan 0.000 0.415 1131 A N 0.616 123.386 122.820 -0.083 0.000 1.883 1131 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 1131 A C 2.158 179.668 177.584 -0.123 0.000 1.186 1131 A CA 1.877 53.867 52.037 -0.078 0.000 0.624 1131 A CB -0.790 18.147 19.000 -0.106 0.000 0.822 1131 A HN 0.466 nan 8.150 nan 0.000 0.444 1132 K N -0.443 119.836 120.400 -0.202 0.000 2.152 1132 K HA -0.068 4.251 4.320 -0.001 0.000 0.206 1132 K C 1.813 178.343 176.600 -0.116 0.000 1.048 1132 K CA 1.108 57.283 56.287 -0.186 0.000 0.933 1132 K CB -0.284 32.081 32.500 -0.225 0.000 0.721 1132 K HN 0.547 nan 8.250 nan 0.000 0.447 1133 L N 0.499 121.667 121.223 -0.092 0.000 2.141 1133 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 1133 L C 2.204 179.051 176.870 -0.038 0.000 1.094 1133 L CA 0.882 55.686 54.840 -0.060 0.000 0.763 1133 L CB -0.305 41.725 42.059 -0.049 0.000 0.908 1133 L HN 0.188 nan 8.230 nan 0.000 0.437 1134 I N -0.701 119.851 120.570 -0.030 0.000 2.315 1134 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 1134 I C 2.834 178.947 176.117 -0.007 0.000 1.117 1134 I CA 0.879 62.175 61.300 -0.008 0.000 1.404 1134 I CB -0.434 37.572 38.000 0.010 0.000 1.071 1134 I HN 0.240 nan 8.210 nan 0.000 0.419 1135 R N 1.327 121.814 120.500 -0.020 0.000 2.096 1135 R HA -0.233 4.106 4.340 -0.001 0.000 0.240 1135 R C 2.455 178.753 176.300 -0.003 0.000 1.139 1135 R CA 2.386 58.480 56.100 -0.009 0.000 0.952 1135 R CB -0.430 29.848 30.300 -0.037 0.000 0.854 1135 R HN 0.495 nan 8.270 nan 0.000 0.436 1136 S N -0.467 115.220 115.700 -0.022 0.000 2.423 1136 S HA -0.012 4.457 4.470 -0.001 0.000 0.231 1136 S C 1.755 176.351 174.600 -0.007 0.000 1.014 1136 S CA 0.890 59.079 58.200 -0.018 0.000 0.965 1136 S CB 0.051 63.231 63.200 -0.034 0.000 0.785 1136 S HN 0.436 nan 8.310 nan 0.000 0.495 1137 A N 0.745 123.562 122.820 -0.004 0.000 2.345 1137 A HA 0.578 4.897 4.320 -0.001 0.000 0.225 1137 A C 1.678 179.269 177.584 0.013 0.000 1.243 1137 A CA 0.223 52.261 52.037 0.002 0.000 0.875 1137 A CB -0.600 18.399 19.000 -0.001 0.000 0.929 1137 A HN 0.852 nan 8.150 nan 0.000 0.502 1138 I N -5.050 115.532 120.570 0.020 0.000 4.578 1138 I HA 0.302 4.472 4.170 -0.001 0.000 0.312 1138 I C 0.648 176.796 176.117 0.051 0.000 1.224 1138 I CA -0.149 61.170 61.300 0.030 0.000 1.318 1138 I CB -0.063 37.951 38.000 0.024 0.000 1.388 1138 I HN 0.062 nan 8.210 nan 0.000 0.461 1139 E N 3.466 123.696 120.200 0.050 0.000 2.238 1139 E HA -0.081 4.269 4.350 -0.001 0.000 0.264 1139 E C -0.227 176.413 176.600 0.067 0.000 1.136 1139 E CA -0.135 56.303 56.400 0.063 0.000 0.929 1139 E CB 0.069 29.807 29.700 0.062 0.000 1.010 1139 E HN 0.454 nan 8.360 nan 0.000 0.440 1140 H N 3.048 122.116 119.070 -0.003 0.000 2.886 1140 H HA 0.124 4.680 4.556 -0.001 0.000 0.329 1140 H C -1.095 174.227 175.328 -0.010 0.000 1.044 1140 H CA 0.165 56.207 56.048 -0.010 0.000 1.456 1140 H CB 0.809 30.562 29.762 -0.014 0.000 1.464 1140 H HN 0.293 nan 8.280 nan 0.000 0.573 1141 T N 5.004 119.245 114.554 -0.522 0.000 2.930 1141 T HA 0.246 4.595 4.350 -0.001 0.000 0.313 1141 T C -0.177 174.265 174.700 -0.430 0.000 1.019 1141 T CA -0.672 61.166 62.100 -0.437 0.000 1.004 1141 T CB 0.468 69.226 68.868 -0.183 0.000 0.987 1141 T HN 0.788 nan 8.240 nan 0.000 0.456 1142 T N 0.986 115.275 114.554 -0.443 0.000 2.868 1142 T HA 0.301 4.651 4.350 -0.001 0.000 0.292 1142 T C 1.361 175.996 174.700 -0.108 0.000 1.028 1142 T CA -0.883 61.105 62.100 -0.188 0.000 1.059 1142 T CB 0.703 69.523 68.868 -0.081 0.000 0.991 1142 T HN 0.257 nan 8.240 nan 0.000 0.531 1143 L N 0.679 121.867 121.223 -0.058 0.000 2.131 1143 L HA 0.047 4.386 4.340 -0.001 0.000 0.210 1143 L C 2.488 179.340 176.870 -0.030 0.000 1.092 1143 L CA 1.726 56.541 54.840 -0.041 0.000 0.759 1143 L CB -0.992 41.056 42.059 -0.018 0.000 0.903 1143 L HN 0.809 nan 8.230 nan 0.000 0.435 1144 K N -0.928 119.458 120.400 -0.024 0.000 2.152 1144 K HA -0.123 4.197 4.320 -0.001 0.000 0.206 1144 K C 1.866 178.452 176.600 -0.024 0.000 1.048 1144 K CA 1.388 57.666 56.287 -0.014 0.000 0.933 1144 K CB -0.012 32.485 32.500 -0.005 0.000 0.721 1144 K HN 0.407 nan 8.250 nan 0.000 0.447 1145 S N 0.144 115.817 115.700 -0.045 0.000 2.507 1145 S HA -0.074 4.395 4.470 -0.001 0.000 0.235 1145 S C 1.479 176.058 174.600 -0.035 0.000 0.988 1145 S CA 1.172 59.343 58.200 -0.047 0.000 0.944 1145 S CB 0.175 63.329 63.200 -0.077 0.000 0.762 1145 S HN 0.337 nan 8.310 nan 0.000 0.526 1146 V N -1.860 118.035 119.914 -0.031 0.000 3.411 1146 V HA 0.248 4.367 4.120 -0.001 0.000 0.287 1146 V C 0.499 176.585 176.094 -0.013 0.000 1.543 1146 V CA -0.125 62.160 62.300 -0.025 0.000 1.028 1146 V CB -0.481 31.322 31.823 -0.034 0.000 0.840 1146 V HN 0.367 nan 8.190 nan 0.000 0.435 1147 T N -0.971 113.578 114.554 -0.008 0.000 2.749 1147 T HA 0.576 4.926 4.350 -0.001 0.000 0.295 1147 T C 1.083 175.788 174.700 0.009 0.000 0.936 1147 T CA -0.158 61.945 62.100 0.004 0.000 1.060 1147 T CB 1.828 70.702 68.868 0.011 0.000 0.904 1147 T HN 0.160 nan 8.240 nan 0.000 0.500 1148 I N 1.834 122.413 120.570 0.014 0.000 2.202 1148 I HA 0.107 4.277 4.170 -0.001 0.000 0.242 1148 I C 1.375 177.504 176.117 0.021 0.000 1.091 1148 I CA 1.015 62.325 61.300 0.016 0.000 1.368 1148 I CB -0.157 37.854 38.000 0.019 0.000 1.058 1148 I HN 0.890 nan 8.210 nan 0.000 0.410 1149 A N -0.260 122.578 122.820 0.030 0.000 2.540 1149 A HA 0.505 4.824 4.320 -0.001 0.000 0.297 1149 A C -0.435 177.177 177.584 0.047 0.000 1.056 1149 A CA -0.473 51.585 52.037 0.034 0.000 0.700 1149 A CB 1.119 20.142 19.000 0.037 0.000 1.280 1149 A HN 0.142 nan 8.150 nan 0.000 0.398 1150 S N 1.486 117.211 115.700 0.041 0.000 2.480 1150 S HA 0.744 5.213 4.470 -0.001 0.000 0.286 1150 S C -0.538 174.093 174.600 0.051 0.000 1.180 1150 S CA -0.388 57.842 58.200 0.050 0.000 1.075 1150 S CB 1.093 64.315 63.200 0.037 0.000 0.996 1150 S HN 0.637 nan 8.310 nan 0.000 0.487 1151 E N 1.957 122.211 120.200 0.089 0.000 2.272 1151 E HA 0.453 4.802 4.350 -0.001 0.000 0.269 1151 E C -1.137 175.530 176.600 0.111 0.000 0.877 1151 E CA -0.544 55.902 56.400 0.076 0.000 0.755 1151 E CB 2.059 31.861 29.700 0.169 0.000 1.192 1151 E HN 0.667 nan 8.360 nan 0.000 0.422 1152 I N 3.680 124.255 120.570 0.009 0.000 2.328 1152 I HA 0.282 4.451 4.170 -0.001 0.000 0.287 1152 I C -0.720 175.423 176.117 0.044 0.000 1.012 1152 I CA -0.492 60.844 61.300 0.061 0.000 1.195 1152 I CB 0.203 38.184 38.000 -0.030 0.000 1.350 1152 I HN 0.427 nan 8.210 nan 0.000 0.464 1153 Y N 4.928 125.320 120.300 0.153 0.000 2.496 1153 Y HA 0.332 4.881 4.550 -0.001 0.000 0.325 1153 Y C -0.394 175.731 175.900 0.376 0.000 1.271 1153 Y CA -0.349 57.873 58.100 0.203 0.000 1.368 1153 Y CB 0.969 39.511 38.460 0.136 0.000 1.415 1153 Y HN 0.394 nan 8.280 nan 0.000 0.527 1154 Y N 1.543 122.081 120.300 0.397 0.000 2.376 1154 Y HA 0.379 4.928 4.550 -0.001 0.000 0.326 1154 Y C -1.436 174.565 175.900 0.168 0.000 0.970 1154 Y CA -1.291 56.993 58.100 0.306 0.000 1.248 1154 Y CB 0.916 39.525 38.460 0.247 0.000 1.117 1154 Y HN 0.584 nan 8.280 nan 0.000 0.476 1155 D N 8.523 128.753 120.400 -0.284 0.000 2.363 1155 D HA 0.355 4.994 4.640 -0.001 0.000 0.258 1155 D C -2.249 173.809 176.300 -0.404 0.000 1.259 1155 D CA -1.957 51.866 54.000 -0.295 0.000 0.921 1155 D CB 1.517 42.259 40.800 -0.096 0.000 1.201 1155 D HN 0.305 nan 8.370 nan 0.000 0.524 1156 P HA 0.028 nan 4.420 nan 0.000 0.235 1156 P C 0.099 177.254 177.300 -0.242 0.000 1.177 1156 P CA 0.101 62.906 63.100 -0.492 0.000 0.785 1156 P CB 0.330 31.664 31.700 -0.611 0.000 0.885 1157 D N 1.565 121.851 120.400 -0.190 0.000 2.348 1157 D HA 0.050 4.689 4.640 -0.001 0.000 0.259 1157 D C -1.412 174.835 176.300 -0.089 0.000 1.296 1157 D CA -1.689 52.245 54.000 -0.111 0.000 0.931 1157 D CB 1.109 41.859 40.800 -0.083 0.000 1.067 1157 D HN 0.019 nan 8.370 nan 0.000 0.503 1158 P HA -0.153 nan 4.420 nan 0.000 0.217 1158 P C 0.796 178.075 177.300 -0.034 0.000 1.148 1158 P CA 1.183 64.248 63.100 -0.059 0.000 0.828 1158 P CB 0.214 31.875 31.700 -0.065 0.000 0.783 1159 R N -2.768 117.713 120.500 -0.032 0.000 2.472 1159 R HA 0.421 4.760 4.340 -0.001 0.000 0.279 1159 R C -0.151 176.142 176.300 -0.013 0.000 0.953 1159 R CA 0.012 56.105 56.100 -0.012 0.000 1.088 1159 R CB -0.133 30.162 30.300 -0.008 0.000 1.197 1159 R HN -0.204 nan 8.270 nan 0.000 0.536 1160 S N -0.461 115.223 115.700 -0.028 0.000 2.548 1160 S HA 0.509 4.979 4.470 -0.001 0.000 0.276 1160 S C -1.080 173.494 174.600 -0.043 0.000 1.129 1160 S CA -0.711 57.471 58.200 -0.030 0.000 0.931 1160 S CB 2.217 65.402 63.200 -0.026 0.000 1.068 1160 S HN 0.205 nan 8.310 nan 0.000 0.480 1161 T N 1.700 116.228 114.554 -0.043 0.000 2.945 1161 T HA 0.382 4.731 4.350 -0.001 0.000 0.286 1161 T C 1.171 175.842 174.700 -0.049 0.000 1.025 1161 T CA -0.544 61.522 62.100 -0.057 0.000 1.039 1161 T CB 1.585 70.413 68.868 -0.068 0.000 1.068 1161 T HN 0.309 nan 8.240 nan 0.000 0.497 1162 V N 1.330 121.214 119.914 -0.050 0.000 2.725 1162 V HA 0.114 4.234 4.120 -0.001 0.000 0.247 1162 V C 0.594 176.676 176.094 -0.020 0.000 1.058 1162 V CA 0.804 63.094 62.300 -0.016 0.000 1.080 1162 V CB -0.276 31.564 31.823 0.028 0.000 0.713 1162 V HN 0.677 nan 8.190 nan 0.000 0.465 1163 I N 2.505 123.029 120.570 -0.077 0.000 2.379 1163 I HA 0.169 4.338 4.170 -0.001 0.000 0.290 1163 I C -1.093 174.990 176.117 -0.058 0.000 1.063 1163 I CA -1.502 59.747 61.300 -0.084 0.000 1.351 1163 I CB 0.494 38.359 38.000 -0.225 0.000 1.410 1163 I HN 0.071 nan 8.210 nan 0.000 0.505 1164 P HA -0.077 nan 4.420 nan 0.000 0.233 1164 P C 0.920 178.208 177.300 -0.020 0.000 1.167 1164 P CA 0.944 64.033 63.100 -0.018 0.000 0.770 1164 P CB 0.298 31.996 31.700 -0.003 0.000 0.837 1165 E N 0.093 120.280 120.200 -0.022 0.000 2.160 1165 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 1165 E C -0.063 176.519 176.600 -0.030 0.000 0.991 1165 E CA 0.781 57.169 56.400 -0.019 0.000 0.810 1165 E CB -0.179 29.513 29.700 -0.013 0.000 0.742 1165 E HN 0.359 nan 8.360 nan 0.000 0.466 1166 D N 0.044 120.414 120.400 -0.049 0.000 2.454 1166 D HA 0.113 4.752 4.640 -0.001 0.000 0.225 1166 D C 0.345 176.618 176.300 -0.044 0.000 1.081 1166 D CA 0.144 54.114 54.000 -0.051 0.000 0.864 1166 D CB 1.438 42.194 40.800 -0.073 0.000 1.040 1166 D HN 0.109 nan 8.370 nan 0.000 0.517 1167 E N 1.652 121.830 120.200 -0.037 0.000 2.820 1167 E HA -0.031 4.318 4.350 -0.001 0.000 0.210 1167 E C 0.716 177.293 176.600 -0.038 0.000 1.005 1167 E CA -0.062 56.318 56.400 -0.035 0.000 1.678 1167 E CB 0.477 30.160 29.700 -0.028 0.000 2.013 1167 E HN 0.224 nan 8.360 nan 0.000 1.011 1168 E N 0.432 120.609 120.200 -0.037 0.000 2.502 1168 E HA 0.002 4.352 4.350 -0.001 0.000 0.194 1168 E C 1.174 177.743 176.600 -0.052 0.000 1.062 1168 E CA 0.352 56.726 56.400 -0.043 0.000 0.867 1168 E CB 0.363 30.042 29.700 -0.036 0.000 0.888 1168 E HN 0.277 nan 8.360 nan 0.000 0.510 1169 I N -0.070 120.471 120.570 -0.049 0.000 4.070 1169 I HA -0.054 4.116 4.170 -0.001 0.000 0.328 1169 I C 1.608 177.686 176.117 -0.065 0.000 1.298 1169 I CA -0.077 61.187 61.300 -0.060 0.000 1.173 1169 I CB 0.265 38.239 38.000 -0.043 0.000 1.051 1169 I HN 0.058 nan 8.210 nan 0.000 0.409 1170 I N 1.080 121.620 120.570 -0.050 0.000 2.127 1170 I HA -0.275 3.895 4.170 -0.001 0.000 0.241 1170 I C 2.289 178.391 176.117 -0.025 0.000 1.075 1170 I CA 2.161 63.439 61.300 -0.037 0.000 1.334 1170 I CB -0.722 37.259 38.000 -0.031 0.000 1.040 1170 I HN 0.483 nan 8.210 nan 0.000 0.405 1171 Q N -1.985 117.797 119.800 -0.029 0.000 2.329 1171 Q HA 0.186 4.526 4.340 -0.001 0.000 0.194 1171 Q C -0.427 175.535 176.000 -0.063 0.000 0.721 1171 Q CA -0.124 55.648 55.803 -0.052 0.000 0.890 1171 Q CB 0.472 29.164 28.738 -0.077 0.000 1.280 1171 Q HN 0.042 nan 8.270 nan 0.000 0.431 1172 L N 2.849 124.037 121.223 -0.059 0.000 1.827 1172 L HA -0.082 4.258 4.340 -0.001 0.000 0.479 1172 L C -1.178 175.741 176.870 0.081 0.000 1.002 1172 L CA 1.698 56.552 54.840 0.024 0.000 1.221 1172 L CB -0.863 41.167 42.059 -0.049 0.000 1.417 1172 L HN 0.713 nan 8.230 nan 0.000 0.749 1173 H N 1.206 120.222 119.070 -0.091 0.000 4.121 1173 H HA -0.169 4.387 4.556 -0.001 0.000 0.298 1173 H C 0.273 175.505 175.328 -0.160 0.000 0.902 1173 H CA 0.844 56.732 56.048 -0.267 0.000 1.486 1173 H CB -0.207 29.288 29.762 -0.446 0.000 1.596 1173 H HN 0.495 nan 8.280 nan 0.000 0.373 1174 F N 0.305 120.276 119.950 0.035 0.000 2.202 1174 F HA 0.351 4.877 4.527 -0.001 0.000 0.279 1174 F C 1.250 177.070 175.800 0.033 0.000 1.077 1174 F CA 0.392 58.418 58.000 0.043 0.000 1.193 1174 F CB -0.519 38.483 39.000 0.003 0.000 1.090 1174 F HN 0.545 nan 8.300 nan 0.000 0.516 1175 S N 0.697 116.469 115.700 0.120 0.000 3.423 1175 S HA -0.132 4.338 4.470 -0.001 0.000 0.847 1175 S C -0.725 173.922 174.600 0.078 0.000 1.172 1175 S CA -0.233 57.993 58.200 0.045 0.000 0.998 1175 S CB -1.060 62.091 63.200 -0.082 0.000 0.656 1175 S HN 0.603 nan 8.310 nan 0.000 0.293 1188 Q N 0.146 119.909 119.800 -0.062 0.000 3.096 1188 Q HA 0.602 4.942 4.340 -0.001 0.000 0.247 1188 Q C -0.894 175.099 176.000 -0.012 0.000 1.098 1188 Q CA -0.552 55.224 55.803 -0.044 0.000 0.536 1188 Q CB 1.360 30.066 28.738 -0.053 0.000 4.614 1188 Q HN 0.080 nan 8.270 nan 0.000 0.294 1189 S N -0.070 115.636 115.700 0.010 0.000 2.513 1189 S HA 0.391 4.861 4.470 -0.001 0.000 0.299 1189 S C -2.249 172.352 174.600 0.002 0.000 1.087 1189 S CA -1.821 56.401 58.200 0.036 0.000 1.012 1189 S CB 1.078 64.339 63.200 0.101 0.000 1.044 1189 S HN 0.184 nan 8.310 nan 0.000 0.485 1190 P HA 0.041 nan 4.420 nan 0.000 0.217 1190 P C -0.217 176.998 177.300 -0.142 0.000 1.151 1190 P CA 0.649 63.629 63.100 -0.199 0.000 0.828 1190 P CB 0.056 31.578 31.700 -0.298 0.000 0.788 1191 W N 1.405 122.752 121.300 0.078 0.000 2.387 1191 W HA 0.291 4.951 4.660 -0.001 0.000 0.310 1191 W C 0.358 176.919 176.519 0.071 0.000 1.181 1191 W CA -0.896 56.520 57.345 0.120 0.000 1.333 1191 W CB -0.287 29.266 29.460 0.155 0.000 1.286 1191 W HN -0.098 nan 8.180 nan 0.000 0.455 1192 L N 5.327 126.726 121.223 0.295 0.000 2.453 1192 L HA 0.437 4.777 4.340 -0.001 0.000 0.261 1192 L C -0.765 176.235 176.870 0.217 0.000 1.179 1192 L CA -0.216 54.745 54.840 0.202 0.000 0.813 1192 L CB 0.691 42.838 42.059 0.147 0.000 1.110 1192 L HN 0.261 nan 8.230 nan 0.000 0.466 1193 L N 4.131 125.445 121.223 0.152 0.000 2.381 1193 L HA 0.589 4.928 4.340 -0.001 0.000 0.274 1193 L C -0.715 176.234 176.870 0.132 0.000 0.988 1193 L CA -0.271 54.651 54.840 0.137 0.000 0.824 1193 L CB 1.400 43.504 42.059 0.076 0.000 1.263 1193 L HN 0.789 nan 8.230 nan 0.000 0.410 1194 R N 4.008 124.612 120.500 0.174 0.000 2.668 1194 R HA 0.884 5.223 4.340 -0.001 0.000 0.279 1194 R C -1.665 174.708 176.300 0.123 0.000 0.976 1194 R CA -0.643 55.543 56.100 0.144 0.000 0.978 1194 R CB 1.265 31.675 30.300 0.182 0.000 1.133 1194 R HN 0.800 nan 8.270 nan 0.000 0.484 1195 L N 1.972 123.250 121.223 0.093 0.000 2.464 1195 L HA 0.411 4.750 4.340 -0.001 0.000 0.266 1195 L C -0.889 176.019 176.870 0.064 0.000 0.965 1195 L CA -0.511 54.374 54.840 0.075 0.000 0.833 1195 L CB 2.260 44.355 42.059 0.060 0.000 1.296 1195 L HN 0.662 nan 8.230 nan 0.000 0.405 1196 E N 2.972 123.206 120.200 0.057 0.000 2.195 1196 E HA 0.729 5.078 4.350 -0.001 0.000 0.271 1196 E C -1.607 175.011 176.600 0.030 0.000 0.923 1196 E CA -0.643 55.784 56.400 0.045 0.000 0.790 1196 E CB 1.837 31.567 29.700 0.050 0.000 1.155 1196 E HN 0.408 nan 8.360 nan 0.000 0.402 1197 L N 2.342 123.577 121.223 0.021 0.000 2.341 1197 L HA 0.331 4.670 4.340 -0.001 0.000 0.267 1197 L C -0.351 176.523 176.870 0.007 0.000 1.009 1197 L CA -0.954 53.891 54.840 0.008 0.000 0.819 1197 L CB 1.783 43.839 42.059 -0.004 0.000 1.323 1197 L HN 0.507 nan 8.230 nan 0.000 0.425 1198 D N 1.575 121.975 120.400 0.001 0.000 2.339 1198 D HA 0.055 4.694 4.640 -0.001 0.000 0.256 1198 D C 0.899 177.198 176.300 -0.002 0.000 1.214 1198 D CA 0.188 54.188 54.000 0.001 0.000 0.877 1198 D CB 1.173 41.972 40.800 -0.002 0.000 1.111 1198 D HN 0.403 nan 8.370 nan 0.000 0.478 1199 R N 3.407 123.908 120.500 0.002 0.000 2.081 1199 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 1199 R C 1.718 178.017 176.300 -0.002 0.000 1.131 1199 R CA 1.346 57.446 56.100 0.001 0.000 0.960 1199 R CB -0.129 30.173 30.300 0.004 0.000 0.856 1199 R HN 0.528 nan 8.270 nan 0.000 0.436 1200 A N 0.830 123.650 122.820 -0.000 0.000 1.908 1200 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 1200 A C 2.104 179.687 177.584 -0.002 0.000 1.181 1200 A CA 1.840 53.876 52.037 -0.001 0.000 0.627 1200 A CB -0.605 18.395 19.000 0.001 0.000 0.818 1200 A HN 0.478 nan 8.150 nan 0.000 0.445 1201 A N -1.696 121.121 122.820 -0.004 0.000 2.276 1201 A HA 0.323 4.643 4.320 -0.001 0.000 0.212 1201 A C 1.519 179.095 177.584 -0.013 0.000 1.230 1201 A CA 0.577 52.610 52.037 -0.006 0.000 0.844 1201 A CB -0.325 18.670 19.000 -0.009 0.000 0.860 1201 A HN 0.386 nan 8.150 nan 0.000 0.486 1202 M N -0.571 119.020 119.600 -0.013 0.000 2.428 1202 M HA 0.129 4.608 4.480 -0.001 0.000 0.239 1202 M C 0.592 176.881 176.300 -0.019 0.000 1.121 1202 M CA 0.483 55.771 55.300 -0.020 0.000 1.019 1202 M CB -0.654 31.934 32.600 -0.020 0.000 1.485 1202 M HN 0.329 nan 8.290 nan 0.000 0.484 1203 N N 0.313 119.005 118.700 -0.014 0.000 2.432 1203 N HA -0.056 4.683 4.740 -0.001 0.000 0.174 1203 N C 1.307 176.808 175.510 -0.015 0.000 1.037 1203 N CA 0.542 53.582 53.050 -0.016 0.000 0.892 1203 N CB -0.072 38.407 38.487 -0.013 0.000 1.049 1203 N HN 0.200 nan 8.380 nan 0.000 0.442 1204 D N 0.952 121.352 120.400 -0.001 0.000 2.190 1204 D HA -0.114 4.525 4.640 -0.001 0.000 0.200 1204 D C -0.173 176.137 176.300 0.018 0.000 0.992 1204 D CA 1.150 55.164 54.000 0.023 0.000 0.854 1204 D CB 0.316 41.136 40.800 0.034 0.000 0.936 1204 D HN 0.331 nan 8.370 nan 0.000 0.462 1205 K N 0.556 120.952 120.400 -0.005 0.000 2.501 1205 K HA 0.293 4.613 4.320 -0.001 0.000 0.252 1205 K C -1.355 175.227 176.600 -0.031 0.000 0.934 1205 K CA -0.746 55.530 56.287 -0.018 0.000 0.797 1205 K CB 1.064 33.555 32.500 -0.016 0.000 1.270 1205 K HN -0.330 nan 8.250 nan 0.000 0.431 1206 D N 2.466 122.843 120.400 -0.037 0.000 2.359 1206 D HA 0.127 4.767 4.640 -0.001 0.000 0.273 1206 D C -0.689 175.586 176.300 -0.041 0.000 1.362 1206 D CA 0.546 54.523 54.000 -0.039 0.000 1.010 1206 D CB -0.068 40.707 40.800 -0.041 0.000 1.090 1206 D HN 0.252 nan 8.370 nan 0.000 0.521 1207 L N 2.448 123.646 121.223 -0.042 0.000 2.441 1207 L HA 0.335 4.675 4.340 -0.001 0.000 0.270 1207 L C 0.108 176.947 176.870 -0.052 0.000 0.973 1207 L CA -0.766 54.042 54.840 -0.052 0.000 0.842 1207 L CB 1.864 43.888 42.059 -0.058 0.000 1.239 1207 L HN 0.276 nan 8.230 nan 0.000 0.406 1208 T N -0.743 113.776 114.554 -0.059 0.000 2.907 1208 T HA 0.309 4.658 4.350 -0.001 0.000 0.284 1208 T C 1.309 175.945 174.700 -0.106 0.000 1.004 1208 T CA -0.888 61.179 62.100 -0.055 0.000 1.063 1208 T CB 1.731 70.579 68.868 -0.033 0.000 0.992 1208 T HN 0.403 nan 8.240 nan 0.000 0.483 1209 M N 1.812 121.350 119.600 -0.103 0.000 2.195 1209 M HA -0.066 4.413 4.480 -0.001 0.000 0.260 1209 M C 2.455 178.448 176.300 -0.512 0.000 1.066 1209 M CA 1.906 57.069 55.300 -0.228 0.000 1.089 1209 M CB -1.645 30.909 32.600 -0.076 0.000 1.377 1209 M HN 1.011 nan 8.290 nan 0.000 0.411 1210 G N -0.297 108.334 108.800 -0.282 0.000 2.480 1210 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.216 1210 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.216 1210 G C 1.407 176.117 174.900 -0.317 0.000 1.200 1210 G CA 0.586 45.530 45.100 -0.260 0.000 0.782 1210 G HN 0.487 nan 8.290 nan 0.000 0.554 1211 Q N -0.328 119.356 119.800 -0.193 0.000 2.133 1211 Q HA -0.140 4.199 4.340 -0.001 0.000 0.208 1211 Q C 2.900 178.773 176.000 -0.212 0.000 0.991 1211 Q CA 1.708 57.415 55.803 -0.159 0.000 0.867 1211 Q CB -0.336 28.339 28.738 -0.106 0.000 0.911 1211 Q HN 0.398 nan 8.270 nan 0.000 0.417 1212 V N 0.135 119.889 119.914 -0.267 0.000 2.295 1212 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 1212 V C 2.201 178.076 176.094 -0.364 0.000 1.049 1212 V CA 2.016 64.155 62.300 -0.268 0.000 1.024 1212 V CB -1.271 30.401 31.823 -0.253 0.000 0.648 1212 V HN 0.542 nan 8.190 nan 0.000 0.447 1213 G N -0.379 108.011 108.800 -0.685 0.000 2.511 1213 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 1213 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 1213 G C 1.435 176.071 174.900 -0.441 0.000 1.218 1213 G CA 0.785 45.330 45.100 -0.925 0.000 0.788 1213 G HN 0.455 nan 8.290 nan 0.000 0.560 1214 E N 0.367 120.362 120.200 -0.342 0.000 2.086 1214 E HA -0.207 4.142 4.350 -0.001 0.000 0.200 1214 E C 2.506 179.058 176.600 -0.080 0.000 1.012 1214 E CA 1.226 57.558 56.400 -0.112 0.000 0.812 1214 E CB -0.314 29.348 29.700 -0.064 0.000 0.743 1214 E HN 0.287 nan 8.360 nan 0.000 0.453 1215 R N 0.858 121.292 120.500 -0.111 0.000 2.103 1215 R HA -0.113 4.226 4.340 -0.001 0.000 0.242 1215 R C 2.384 178.643 176.300 -0.069 0.000 1.142 1215 R CA 1.290 57.340 56.100 -0.084 0.000 0.960 1215 R CB -0.645 29.599 30.300 -0.093 0.000 0.858 1215 R HN 0.216 nan 8.270 nan 0.000 0.439 1216 I N 0.211 120.750 120.570 -0.051 0.000 2.202 1216 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 1216 I C 2.272 178.466 176.117 0.128 0.000 1.091 1216 I CA 1.454 62.780 61.300 0.043 0.000 1.368 1216 I CB -0.307 37.753 38.000 0.099 0.000 1.058 1216 I HN 0.164 nan 8.210 nan 0.000 0.410 1217 K N 0.809 121.272 120.400 0.105 0.000 2.032 1217 K HA -0.249 4.071 4.320 -0.001 0.000 0.209 1217 K C 1.935 178.601 176.600 0.111 0.000 1.048 1217 K CA 1.865 58.241 56.287 0.148 0.000 0.927 1217 K CB -0.263 32.313 32.500 0.127 0.000 0.712 1217 K HN 0.511 nan 8.250 nan 0.000 0.441 1218 Q N -0.062 119.762 119.800 0.040 0.000 2.466 1218 Q HA 0.019 4.358 4.340 -0.001 0.000 0.210 1218 Q C 0.754 176.727 176.000 -0.044 0.000 0.961 1218 Q CA 0.812 56.621 55.803 0.010 0.000 0.953 1218 Q CB 0.364 29.100 28.738 -0.002 0.000 1.011 1218 Q HN 0.035 nan 8.270 nan 0.000 0.516 1219 T N -0.155 114.335 114.554 -0.106 0.000 2.980 1219 T HA 0.106 4.456 4.350 -0.001 0.000 0.239 1219 T C 0.852 175.370 174.700 -0.303 0.000 1.011 1219 T CA 0.518 62.439 62.100 -0.298 0.000 1.171 1219 T CB -0.167 68.350 68.868 -0.585 0.000 0.873 1219 T HN 0.341 nan 8.240 nan 0.000 0.431 1220 F N 1.350 121.314 119.950 0.023 0.000 2.456 1220 F HA 0.292 4.818 4.527 -0.001 0.000 0.298 1220 F C 1.720 177.541 175.800 0.035 0.000 1.104 1220 F CA 0.303 58.320 58.000 0.029 0.000 1.435 1220 F CB -0.205 38.817 39.000 0.037 0.000 1.078 1220 F HN 0.107 nan 8.300 nan 0.000 0.546 1221 K N 0.365 120.882 120.400 0.194 0.000 7.960 1221 K HA -0.403 3.916 4.320 -0.001 0.000 0.369 1221 K C 0.175 176.865 176.600 0.151 0.000 0.705 1221 K CA 1.885 58.252 56.287 0.134 0.000 1.297 1221 K CB -1.625 30.928 32.500 0.089 0.000 0.774 1221 K HN 0.286 nan 8.250 nan 0.000 0.974 1222 N N 1.315 120.093 118.700 0.129 0.000 2.546 1222 N HA 0.172 4.912 4.740 -0.001 0.000 0.286 1222 N C -1.397 174.175 175.510 0.104 0.000 1.259 1222 N CA 0.451 53.566 53.050 0.109 0.000 0.939 1222 N CB 0.345 38.879 38.487 0.079 0.000 1.243 1222 N HN 0.407 nan 8.380 nan 0.000 0.511 1223 D N -0.736 119.736 120.400 0.121 0.000 3.120 1223 D HA 0.181 4.820 4.640 -0.001 0.000 0.331 1223 D C -0.941 175.381 176.300 0.037 0.000 1.595 1223 D CA -0.372 53.675 54.000 0.078 0.000 0.771 1223 D CB 0.184 41.022 40.800 0.063 0.000 1.274 1223 D HN -0.013 nan 8.370 nan 0.000 0.503 1224 L N 0.750 122.028 121.223 0.090 0.000 2.849 1224 L HA 0.411 4.751 4.340 -0.001 0.000 0.256 1224 L C -1.875 175.113 176.870 0.196 0.000 0.951 1224 L CA -0.683 54.201 54.840 0.073 0.000 1.003 1224 L CB 1.214 43.223 42.059 -0.084 0.000 1.408 1224 L HN 0.071 nan 8.230 nan 0.000 0.463 1225 F N 4.939 124.914 119.950 0.041 0.000 2.456 1225 F HA 0.643 5.169 4.527 -0.001 0.000 0.358 1225 F C -0.187 175.667 175.800 0.091 0.000 1.095 1225 F CA 0.098 58.135 58.000 0.063 0.000 1.216 1225 F CB 0.924 39.946 39.000 0.037 0.000 1.125 1225 F HN 0.180 nan 8.300 nan 0.000 0.549 1226 V N 6.932 126.672 119.914 -0.289 0.000 2.709 1226 V HA 0.534 4.654 4.120 -0.001 0.000 0.308 1226 V C -0.578 175.419 176.094 -0.161 0.000 1.062 1226 V CA -0.783 61.490 62.300 -0.046 0.000 0.901 1226 V CB 1.880 33.825 31.823 0.204 0.000 1.003 1226 V HN 0.518 nan 8.190 nan 0.000 0.425 1227 I N 3.330 123.897 120.570 -0.005 0.000 2.828 1227 I HA 0.829 4.999 4.170 -0.001 0.000 0.302 1227 I C -0.885 175.332 176.117 0.167 0.000 1.101 1227 I CA -0.295 60.889 61.300 -0.193 0.000 1.031 1227 I CB 2.109 39.999 38.000 -0.183 0.000 1.231 1227 I HN 0.856 nan 8.210 nan 0.000 0.427 1228 W N 1.256 122.517 121.300 -0.065 0.000 3.074 1228 W HA 0.813 5.472 4.660 -0.001 0.000 0.332 1228 W C -1.216 175.281 176.519 -0.035 0.000 1.253 1228 W CA -0.903 56.417 57.345 -0.043 0.000 1.180 1228 W CB 0.284 29.722 29.460 -0.036 0.000 1.445 1228 W HN 0.351 nan 8.180 nan 0.000 0.573 1229 S N 0.883 116.704 115.700 0.201 0.000 2.600 1229 S HA 0.138 4.607 4.470 -0.001 0.000 0.265 1229 S C -0.133 174.557 174.600 0.149 0.000 1.325 1229 S CA -0.429 57.831 58.200 0.100 0.000 1.002 1229 S CB 0.797 64.045 63.200 0.080 0.000 0.921 1229 S HN 0.513 nan 8.310 nan 0.000 0.554 1230 E N 0.672 120.914 120.200 0.070 0.000 2.398 1230 E HA 0.021 4.371 4.350 -0.001 0.000 0.263 1230 E C 0.641 177.290 176.600 0.082 0.000 1.046 1230 E CA -0.002 56.444 56.400 0.078 0.000 0.908 1230 E CB 0.358 30.075 29.700 0.028 0.000 0.963 1230 E HN 0.455 nan 8.360 nan 0.000 0.431 1231 D N 2.248 122.698 120.400 0.083 0.000 2.126 1231 D HA -0.214 4.426 4.640 -0.001 0.000 0.190 1231 D C 0.797 177.118 176.300 0.035 0.000 1.001 1231 D CA 1.428 55.462 54.000 0.057 0.000 0.841 1231 D CB -0.131 40.694 40.800 0.042 0.000 0.949 1231 D HN 0.607 nan 8.370 nan 0.000 0.446 1232 N N 1.369 120.085 118.700 0.027 0.000 2.362 1232 N HA -0.044 4.695 4.740 -0.001 0.000 0.211 1232 N C -0.139 175.380 175.510 0.014 0.000 1.170 1232 N CA 0.052 53.111 53.050 0.017 0.000 0.828 1232 N CB 0.095 38.589 38.487 0.011 0.000 1.034 1232 N HN 0.010 nan 8.380 nan 0.000 0.475 1233 D N 1.102 121.513 120.400 0.020 0.000 2.372 1233 D HA 0.006 4.646 4.640 -0.001 0.000 0.243 1233 D C 1.201 177.508 176.300 0.013 0.000 1.297 1233 D CA -0.256 53.753 54.000 0.015 0.000 0.958 1233 D CB 1.026 41.838 40.800 0.020 0.000 1.114 1233 D HN 0.025 nan 8.370 nan 0.000 0.496 1234 E N -0.125 120.081 120.200 0.010 0.000 2.107 1234 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 1234 E C -0.187 176.420 176.600 0.012 0.000 0.982 1234 E CA 1.115 57.520 56.400 0.009 0.000 0.809 1234 E CB 0.336 30.040 29.700 0.006 0.000 0.756 1234 E HN 0.238 nan 8.360 nan 0.000 0.459 1235 K N -0.136 120.273 120.400 0.015 0.000 2.498 1235 K HA 0.412 4.731 4.320 -0.001 0.000 0.254 1235 K C -1.145 175.472 176.600 0.028 0.000 0.933 1235 K CA -0.484 55.816 56.287 0.020 0.000 0.806 1235 K CB 2.001 34.513 32.500 0.019 0.000 1.301 1235 K HN -0.106 nan 8.250 nan 0.000 0.432 1236 L N 4.313 125.554 121.223 0.031 0.000 2.272 1236 L HA 0.583 4.922 4.340 -0.001 0.000 0.289 1236 L C -0.684 176.215 176.870 0.049 0.000 1.032 1236 L CA -0.764 54.102 54.840 0.043 0.000 0.810 1236 L CB 0.473 42.552 42.059 0.032 0.000 1.205 1236 L HN 0.422 nan 8.230 nan 0.000 0.422 1237 I N 4.038 124.650 120.570 0.069 0.000 2.656 1237 I HA 0.436 4.606 4.170 -0.001 0.000 0.292 1237 I C -0.652 175.532 176.117 0.111 0.000 1.144 1237 I CA -0.214 61.128 61.300 0.070 0.000 1.038 1237 I CB 2.638 40.664 38.000 0.045 0.000 1.244 1237 I HN 0.337 nan 8.210 nan 0.000 0.420 1238 I N 5.256 125.887 120.570 0.102 0.000 2.412 1238 I HA 0.513 4.682 4.170 -0.001 0.000 0.296 1238 I C -0.148 176.034 176.117 0.108 0.000 0.987 1238 I CA -0.683 60.699 61.300 0.137 0.000 1.180 1238 I CB 1.470 39.528 38.000 0.097 0.000 1.340 1238 I HN 0.495 nan 8.210 nan 0.000 0.455 1239 R N 4.822 125.391 120.500 0.115 0.000 2.599 1239 R HA 0.769 5.109 4.340 -0.001 0.000 0.295 1239 R C -1.418 174.937 176.300 0.090 0.000 0.963 1239 R CA -0.521 55.627 56.100 0.080 0.000 0.883 1239 R CB 2.029 32.356 30.300 0.045 0.000 1.171 1239 R HN 0.621 nan 8.270 nan 0.000 0.450 1240 C N 1.962 121.315 119.300 0.087 0.000 2.642 1240 C HA 0.524 4.983 4.460 -0.001 0.000 0.344 1240 C C -0.318 174.725 174.990 0.088 0.000 1.110 1240 C CA -1.159 57.909 59.018 0.084 0.000 1.298 1240 C CB 1.540 29.311 27.740 0.051 0.000 1.827 1240 C HN 0.808 nan 8.230 nan 0.000 0.467 1241 R N 1.597 122.164 120.500 0.112 0.000 2.670 1241 R HA 0.744 5.083 4.340 -0.001 0.000 0.289 1241 R C -0.677 175.671 176.300 0.080 0.000 0.965 1241 R CA -0.592 55.571 56.100 0.106 0.000 0.899 1241 R CB 1.941 32.310 30.300 0.115 0.000 1.173 1241 R HN 0.594 nan 8.270 nan 0.000 0.456 1242 V N 1.895 121.846 119.914 0.062 0.000 3.051 1242 V HA 0.079 4.198 4.120 -0.001 0.000 0.306 1242 V C 0.711 176.829 176.094 0.040 0.000 1.083 1242 V CA -0.538 61.780 62.300 0.029 0.000 1.104 1242 V CB 1.275 33.122 31.823 0.039 0.000 1.027 1242 V HN 0.430 nan 8.190 nan 0.000 0.483 1243 V N 3.522 123.453 119.914 0.028 0.000 2.732 1243 V HA 0.449 4.568 4.120 -0.001 0.000 0.297 1243 V C 0.325 176.435 176.094 0.026 0.000 1.060 1243 V CA -0.162 62.153 62.300 0.026 0.000 1.038 1243 V CB 1.483 33.325 31.823 0.032 0.000 1.003 1243 V HN 0.990 nan 8.190 nan 0.000 0.481 1255 E N -0.618 119.670 120.200 0.146 0.000 2.586 1255 E HA -0.222 4.128 4.350 -0.001 0.000 0.259 1255 E C 0.464 177.140 176.600 0.127 0.000 1.107 1255 E CA 1.180 57.654 56.400 0.124 0.000 0.754 1255 E CB -1.476 28.276 29.700 0.087 0.000 1.335 1255 E HN 0.624 nan 8.360 nan 0.000 0.411 1256 E N 0.216 120.540 120.200 0.208 0.000 2.230 1256 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 1256 E C 1.464 178.009 176.600 -0.092 0.000 0.987 1256 E CA 0.931 57.442 56.400 0.184 0.000 0.841 1256 E CB 0.075 30.026 29.700 0.418 0.000 0.783 1256 E HN 0.367 nan 8.360 nan 0.000 0.481 1257 D N -0.546 119.582 120.400 -0.454 0.000 2.221 1257 D HA -0.206 4.433 4.640 -0.001 0.000 0.204 1257 D C 1.719 177.801 176.300 -0.364 0.000 0.982 1257 D CA 1.020 54.452 54.000 -0.946 0.000 0.857 1257 D CB 0.024 40.228 40.800 -0.993 0.000 0.934 1257 D HN 0.168 nan 8.370 nan 0.000 0.475 1258 H N -1.315 117.608 119.070 -0.246 0.000 2.563 1258 H HA 0.223 4.778 4.556 -0.001 0.000 0.264 1258 H C 1.482 176.750 175.328 -0.100 0.000 0.957 1258 H CA 0.584 56.543 56.048 -0.147 0.000 1.173 1258 H CB 0.066 29.774 29.762 -0.090 0.000 1.420 1258 H HN 0.086 nan 8.280 nan 0.000 0.551 1259 M N -0.658 118.857 119.600 -0.142 0.000 2.349 1259 M HA 0.032 4.511 4.480 -0.001 0.000 0.266 1259 M C 1.503 177.716 176.300 -0.144 0.000 1.076 1259 M CA 0.721 55.936 55.300 -0.140 0.000 1.126 1259 M CB -0.124 32.452 32.600 -0.041 0.000 1.392 1259 M HN 0.343 nan 8.290 nan 0.000 0.440 1260 L N -0.118 121.017 121.223 -0.146 0.000 2.156 1260 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 1260 L C 2.192 178.993 176.870 -0.115 0.000 1.095 1260 L CA 1.720 56.490 54.840 -0.116 0.000 0.770 1260 L CB -0.686 41.306 42.059 -0.112 0.000 0.914 1260 L HN 0.264 nan 8.230 nan 0.000 0.439 1261 K N -0.327 119.984 120.400 -0.149 0.000 2.155 1261 K HA -0.150 4.170 4.320 -0.001 0.000 0.203 1261 K C 1.772 178.298 176.600 -0.123 0.000 1.052 1261 K CA 0.957 57.173 56.287 -0.118 0.000 0.948 1261 K CB 0.075 32.516 32.500 -0.098 0.000 0.728 1261 K HN 0.279 nan 8.250 nan 0.000 0.448 1262 K N 0.218 120.504 120.400 -0.190 0.000 2.574 1262 K HA -0.031 4.288 4.320 -0.001 0.000 0.193 1262 K C 1.521 178.093 176.600 -0.046 0.000 1.035 1262 K CA 0.544 56.748 56.287 -0.138 0.000 0.982 1262 K CB 0.157 32.546 32.500 -0.184 0.000 0.795 1262 K HN 0.210 nan 8.250 nan 0.000 0.491 1263 I N -0.454 120.094 120.570 -0.036 0.000 3.565 1263 I HA -0.129 4.041 4.170 -0.001 0.000 0.287 1263 I C 1.994 178.150 176.117 0.064 0.000 1.193 1263 I CA 0.198 61.512 61.300 0.022 0.000 1.402 1263 I CB 0.255 38.209 38.000 -0.077 0.000 1.284 1263 I HN 0.029 nan 8.210 nan 0.000 0.454 1264 E N 1.259 121.471 120.200 0.018 0.000 2.267 1264 E HA -0.265 4.085 4.350 -0.001 0.000 0.197 1264 E C 1.566 178.191 176.600 0.041 0.000 0.998 1264 E CA 1.803 58.225 56.400 0.036 0.000 0.830 1264 E CB -0.446 29.261 29.700 0.012 0.000 0.751 1264 E HN 0.463 nan 8.360 nan 0.000 0.491 1265 N N -0.296 118.421 118.700 0.028 0.000 2.173 1265 N HA -0.084 4.656 4.740 -0.001 0.000 0.184 1265 N C 1.349 176.884 175.510 0.042 0.000 1.025 1265 N CA 1.951 55.016 53.050 0.025 0.000 0.852 1265 N CB -0.140 38.350 38.487 0.005 0.000 0.998 1265 N HN 0.207 nan 8.380 nan 0.000 0.427 1266 T N 0.351 114.945 114.554 0.067 0.000 2.867 1266 T HA -0.041 4.309 4.350 -0.001 0.000 0.268 1266 T C 1.875 176.625 174.700 0.083 0.000 1.057 1266 T CA 0.806 62.952 62.100 0.076 0.000 1.136 1266 T CB -0.116 68.825 68.868 0.121 0.000 0.874 1266 T HN 0.232 nan 8.240 nan 0.000 0.466 1267 M N 0.473 120.154 119.600 0.135 0.000 2.099 1267 M HA 0.029 4.508 4.480 -0.001 0.000 0.262 1267 M C 2.170 178.508 176.300 0.065 0.000 1.067 1267 M CA 1.570 56.955 55.300 0.141 0.000 1.124 1267 M CB -0.450 32.261 32.600 0.184 0.000 1.353 1267 M HN 0.247 nan 8.290 nan 0.000 0.410 1268 L N -1.086 120.167 121.223 0.050 0.000 2.095 1268 L HA -0.147 4.192 4.340 -0.001 0.000 0.204 1268 L C 2.177 179.061 176.870 0.024 0.000 1.080 1268 L CA 0.982 55.839 54.840 0.029 0.000 0.759 1268 L CB -0.400 41.673 42.059 0.024 0.000 0.914 1268 L HN 0.219 nan 8.230 nan 0.000 0.439 1269 E N -0.164 120.052 120.200 0.027 0.000 2.127 1269 E HA -0.038 4.312 4.350 -0.001 0.000 0.191 1269 E C 1.773 178.389 176.600 0.027 0.000 0.964 1269 E CA 0.602 57.018 56.400 0.027 0.000 0.832 1269 E CB 0.240 29.953 29.700 0.022 0.000 0.790 1269 E HN 0.264 nan 8.360 nan 0.000 0.465 1270 N N -0.166 118.542 118.700 0.012 0.000 2.353 1270 N HA 0.015 4.755 4.740 -0.001 0.000 0.185 1270 N C -0.507 174.989 175.510 -0.022 0.000 1.098 1270 N CA 0.032 53.078 53.050 -0.007 0.000 0.872 1270 N CB 0.561 39.035 38.487 -0.022 0.000 0.970 1270 N HN 0.090 nan 8.380 nan 0.000 0.467 1271 I N 2.486 123.045 120.570 -0.018 0.000 2.322 1271 I HA 0.026 4.196 4.170 -0.001 0.000 0.292 1271 I C 0.694 176.819 176.117 0.013 0.000 1.060 1271 I CA -0.035 61.244 61.300 -0.035 0.000 1.309 1271 I CB 0.172 38.142 38.000 -0.049 0.000 1.415 1271 I HN -0.070 nan 8.210 nan 0.000 0.492 1272 T N 4.260 118.833 114.554 0.032 0.000 2.780 1272 T HA 0.432 4.782 4.350 -0.001 0.000 0.294 1272 T C 1.011 175.718 174.700 0.013 0.000 0.949 1272 T CA -0.627 61.527 62.100 0.091 0.000 1.074 1272 T CB 1.852 70.803 68.868 0.138 0.000 0.910 1272 T HN 0.240 nan 8.240 nan 0.000 0.501 1273 L N 1.721 122.934 121.223 -0.016 0.000 2.004 1273 L HA 0.348 4.687 4.340 -0.001 0.000 0.205 1273 L C 1.503 178.358 176.870 -0.026 0.000 1.089 1273 L CA 1.321 56.136 54.840 -0.042 0.000 0.756 1273 L CB -0.364 41.654 42.059 -0.069 0.000 0.900 1273 L HN 0.849 nan 8.230 nan 0.000 0.440 1274 R N -0.630 119.859 120.500 -0.019 0.000 2.698 1274 R HA 0.626 4.965 4.340 -0.001 0.000 0.275 1274 R C -0.702 175.616 176.300 0.030 0.000 1.001 1274 R CA -0.022 56.079 56.100 0.001 0.000 0.896 1274 R CB 1.493 31.784 30.300 -0.015 0.000 1.218 1274 R HN 0.352 nan 8.270 nan 0.000 0.462 1275 G N 0.254 109.084 108.800 0.050 0.000 2.343 1275 G HA2 0.079 4.038 3.960 -0.001 0.000 0.465 1275 G HA3 0.079 4.038 3.960 -0.001 0.000 0.465 1275 G C -1.936 173.013 174.900 0.081 0.000 1.282 1275 G CA -0.385 44.762 45.100 0.078 0.000 0.996 1275 G HN 0.534 nan 8.290 nan 0.000 0.521 1276 V N 1.557 121.510 119.914 0.065 0.000 2.444 1276 V HA 0.485 4.604 4.120 -0.001 0.000 0.294 1276 V C 0.668 176.715 176.094 -0.078 0.000 1.022 1276 V CA -0.213 62.082 62.300 -0.008 0.000 0.850 1276 V CB 1.189 33.003 31.823 -0.016 0.000 0.992 1276 V HN 1.103 nan 8.190 nan 0.000 0.426 1277 E N 5.276 125.316 120.200 -0.267 0.000 2.537 1277 E HA -0.060 4.289 4.350 -0.001 0.000 0.269 1277 E C 0.496 176.958 176.600 -0.229 0.000 1.038 1277 E CA 0.476 56.579 56.400 -0.495 0.000 0.977 1277 E CB 0.025 29.477 29.700 -0.413 0.000 0.973 1277 E HN 0.683 nan 8.360 nan 0.000 0.456 1278 N N -0.920 117.664 118.700 -0.193 0.000 2.921 1278 N HA -0.204 4.535 4.740 -0.001 0.000 0.205 1278 N C -0.479 175.016 175.510 -0.025 0.000 0.945 1278 N CA 1.415 54.417 53.050 -0.079 0.000 1.048 1278 N CB -1.240 37.201 38.487 -0.077 0.000 0.981 1278 N HN 0.449 nan 8.380 nan 0.000 0.590 1279 I N 2.169 122.735 120.570 -0.007 0.000 2.363 1279 I HA 0.083 4.252 4.170 -0.001 0.000 0.292 1279 I C 1.440 177.603 176.117 0.076 0.000 1.075 1279 I CA 0.598 61.917 61.300 0.031 0.000 1.333 1279 I CB 1.183 39.203 38.000 0.034 0.000 1.415 1279 I HN 0.043 nan 8.210 nan 0.000 0.502 1280 E N 4.270 124.501 120.200 0.051 0.000 2.192 1280 E HA 0.229 4.578 4.350 -0.001 0.000 0.196 1280 E C 0.514 177.125 176.600 0.017 0.000 0.922 1280 E CA 0.465 56.895 56.400 0.050 0.000 0.924 1280 E CB 0.390 30.110 29.700 0.033 0.000 0.911 1280 E HN 0.426 nan 8.360 nan 0.000 0.478 1281 R N 0.517 121.019 120.500 0.004 0.000 2.480 1281 R HA 0.503 4.842 4.340 -0.001 0.000 0.306 1281 R C -1.652 174.656 176.300 0.014 0.000 0.958 1281 R CA -0.369 55.714 56.100 -0.029 0.000 0.861 1281 R CB 1.411 31.681 30.300 -0.049 0.000 1.171 1281 R HN -0.063 nan 8.270 nan 0.000 0.445 1282 V N 5.685 125.631 119.914 0.053 0.000 2.376 1282 V HA 0.308 4.428 4.120 -0.001 0.000 0.287 1282 V C -0.324 175.883 176.094 0.188 0.000 1.015 1282 V CA -0.718 61.649 62.300 0.112 0.000 0.834 1282 V CB 1.667 33.554 31.823 0.106 0.000 1.001 1282 V HN 0.534 nan 8.190 nan 0.000 0.428 1283 V N 5.407 125.411 119.914 0.149 0.000 2.532 1283 V HA 0.501 4.621 4.120 -0.001 0.000 0.295 1283 V C 0.135 176.328 176.094 0.165 0.000 1.041 1283 V CA -0.673 61.735 62.300 0.180 0.000 0.926 1283 V CB 1.847 33.764 31.823 0.156 0.000 0.992 1283 V HN 0.792 nan 8.190 nan 0.000 0.457 1284 M N 5.292 124.986 119.600 0.157 0.000 2.063 1284 M HA 0.487 4.966 4.480 -0.001 0.000 0.348 1284 M C -0.765 175.757 176.300 0.369 0.000 1.180 1284 M CA 0.076 55.490 55.300 0.191 0.000 1.059 1284 M CB 0.949 33.538 32.600 -0.019 0.000 1.544 1284 M HN 0.434 nan 8.290 nan 0.000 0.447 1285 M N 3.374 123.253 119.600 0.466 0.000 2.167 1285 M HA 0.364 4.843 4.480 -0.001 0.000 0.333 1285 M C -0.458 176.153 176.300 0.518 0.000 1.030 1285 M CA -0.429 55.165 55.300 0.490 0.000 0.963 1285 M CB 1.828 34.745 32.600 0.527 0.000 1.589 1285 M HN 0.533 nan 8.290 nan 0.000 0.431 1286 K N 3.084 123.601 120.400 0.194 0.000 2.316 1286 K HA 0.283 4.603 4.320 -0.001 0.000 0.289 1286 K C -1.562 175.018 176.600 -0.032 0.000 1.070 1286 K CA 0.063 56.164 56.287 -0.310 0.000 0.928 1286 K CB 0.570 32.634 32.500 -0.727 0.000 1.039 1286 K HN 0.547 nan 8.250 nan 0.000 0.480 1287 Y N 2.309 122.503 120.300 -0.178 0.000 2.387 1287 Y HA 0.090 4.640 4.550 -0.001 0.000 0.336 1287 Y C 0.059 175.890 175.900 -0.115 0.000 1.067 1287 Y CA -0.975 57.073 58.100 -0.085 0.000 1.114 1287 Y CB 1.365 39.818 38.460 -0.012 0.000 1.208 1287 Y HN 0.644 nan 8.280 nan 0.000 0.458 1288 D N 2.865 123.257 120.400 -0.014 0.000 2.399 1288 D HA 0.293 4.933 4.640 -0.001 0.000 0.241 1288 D C -0.424 175.899 176.300 0.039 0.000 1.133 1288 D CA -0.157 53.832 54.000 -0.018 0.000 0.890 1288 D CB 0.639 41.411 40.800 -0.047 0.000 1.201 1288 D HN 0.333 nan 8.370 nan 0.000 0.432 1289 R N 0.774 121.279 120.500 0.009 0.000 2.603 1289 R HA 0.158 4.497 4.340 -0.001 0.000 0.280 1289 R C -1.315 175.002 176.300 0.028 0.000 1.185 1289 R CA -0.748 55.361 56.100 0.015 0.000 1.039 1289 R CB 0.858 31.141 30.300 -0.028 0.000 1.247 1289 R HN 0.338 nan 8.270 nan 0.000 0.413 1290 K N 2.434 122.870 120.400 0.059 0.000 2.249 1290 K HA 0.548 4.868 4.320 -0.001 0.000 0.280 1290 K C -0.871 175.861 176.600 0.221 0.000 1.033 1290 K CA -0.493 55.871 56.287 0.128 0.000 0.946 1290 K CB 1.915 34.475 32.500 0.101 0.000 1.005 1290 K HN 0.218 nan 8.250 nan 0.000 0.469 1291 V N 3.838 123.893 119.914 0.235 0.000 3.108 1291 V HA 0.219 4.338 4.120 -0.001 0.000 0.287 1291 V C -2.559 173.438 176.094 -0.162 0.000 1.436 1291 V CA -1.732 60.617 62.300 0.082 0.000 1.001 1291 V CB 2.473 34.305 31.823 0.015 0.000 1.141 1291 V HN 0.712 nan 8.190 nan 0.000 0.443 1292 P HA 0.104 nan 4.420 nan 0.000 0.267 1292 P C -0.336 176.834 177.300 -0.215 0.000 1.209 1292 P CA 0.509 63.329 63.100 -0.467 0.000 0.763 1292 P CB 0.906 32.317 31.700 -0.481 0.000 0.816 1293 S N 4.591 120.197 115.700 -0.157 0.000 2.580 1293 S HA 0.225 4.694 4.470 -0.001 0.000 0.274 1293 S C -1.198 173.346 174.600 -0.094 0.000 1.329 1293 S CA -1.391 56.753 58.200 -0.093 0.000 1.036 1293 S CB -0.104 63.061 63.200 -0.058 0.000 0.919 1293 S HN 0.204 nan 8.310 nan 0.000 0.515 1294 P HA -0.162 nan 4.420 nan 0.000 0.219 1294 P C 1.122 178.392 177.300 -0.049 0.000 1.153 1294 P CA 1.863 64.929 63.100 -0.057 0.000 0.865 1294 P CB -0.490 31.187 31.700 -0.038 0.000 0.788 1295 T N -4.799 109.732 114.554 -0.039 0.000 3.320 1295 T HA 0.250 4.600 4.350 -0.001 0.000 0.258 1295 T C 1.555 176.241 174.700 -0.023 0.000 1.176 1295 T CA 0.651 62.738 62.100 -0.021 0.000 1.037 1295 T CB -0.958 67.905 68.868 -0.009 0.000 0.958 1295 T HN 0.340 nan 8.240 nan 0.000 0.545 1296 G N 1.555 110.321 108.800 -0.057 0.000 2.454 1296 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.225 1296 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.225 1296 G C -0.045 174.800 174.900 -0.093 0.000 1.138 1296 G CA -0.075 44.983 45.100 -0.070 0.000 0.667 1296 G HN 0.742 nan 8.290 nan 0.000 0.512 1297 E N 0.724 120.896 120.200 -0.047 0.000 2.374 1297 E HA 0.602 4.952 4.350 -0.001 0.000 0.260 1297 E C -0.297 176.259 176.600 -0.073 0.000 1.101 1297 E CA -0.785 55.615 56.400 -0.001 0.000 0.907 1297 E CB 0.357 30.084 29.700 0.045 0.000 1.014 1297 E HN 0.406 nan 8.360 nan 0.000 0.427 1298 Y N 0.256 120.554 120.300 -0.004 0.000 2.346 1298 Y HA 0.375 4.924 4.550 -0.001 0.000 0.330 1298 Y C -0.005 175.888 175.900 -0.011 0.000 1.178 1298 Y CA -0.214 57.881 58.100 -0.008 0.000 1.331 1298 Y CB 0.919 39.376 38.460 -0.005 0.000 1.253 1298 Y HN 0.185 nan 8.280 nan 0.000 0.529 1299 V N 3.780 123.755 119.914 0.102 0.000 2.760 1299 V HA 0.252 4.372 4.120 -0.001 0.000 0.309 1299 V C -0.540 175.584 176.094 0.050 0.000 1.077 1299 V CA -1.837 60.494 62.300 0.052 0.000 0.910 1299 V CB 2.024 33.851 31.823 0.007 0.000 1.008 1299 V HN 0.579 nan 8.190 nan 0.000 0.424 1300 K N 3.735 124.153 120.400 0.030 0.000 2.412 1300 K HA 0.216 4.535 4.320 -0.001 0.000 0.284 1300 K C -0.150 176.445 176.600 -0.008 0.000 1.046 1300 K CA 0.233 56.526 56.287 0.010 0.000 0.999 1300 K CB 0.454 32.951 32.500 -0.006 0.000 0.941 1300 K HN 0.723 nan 8.250 nan 0.000 0.474 1301 E N 6.424 126.616 120.200 -0.013 0.000 2.275 1301 E HA 0.331 4.680 4.350 -0.001 0.000 0.270 1301 E C -2.768 173.800 176.600 -0.053 0.000 0.882 1301 E CA -2.237 54.144 56.400 -0.031 0.000 0.758 1301 E CB 2.008 31.693 29.700 -0.026 0.000 1.195 1301 E HN 0.285 nan 8.360 nan 0.000 0.419 1302 P HA 0.254 nan 4.420 nan 0.000 0.279 1302 P C -1.156 176.052 177.300 -0.153 0.000 1.252 1302 P CA -0.155 62.862 63.100 -0.138 0.000 0.811 1302 P CB 1.054 32.636 31.700 -0.197 0.000 1.035 1303 E N 0.100 120.189 120.200 -0.185 0.000 2.372 1303 E HA 0.345 4.694 4.350 -0.001 0.000 0.279 1303 E C -1.676 174.837 176.600 -0.146 0.000 0.946 1303 E CA -0.909 55.404 56.400 -0.145 0.000 0.769 1303 E CB 0.723 30.374 29.700 -0.082 0.000 1.230 1303 E HN 0.294 nan 8.360 nan 0.000 0.442 1304 W N 2.193 123.533 121.300 0.067 0.000 2.345 1304 W HA 0.460 5.119 4.660 -0.001 0.000 0.308 1304 W C -0.669 175.895 176.519 0.074 0.000 1.273 1304 W CA -0.550 56.845 57.345 0.083 0.000 1.243 1304 W CB 1.535 31.033 29.460 0.063 0.000 1.260 1304 W HN 0.232 nan 8.180 nan 0.000 0.509 1305 V N 5.973 126.107 119.914 0.366 0.000 2.487 1305 V HA 0.357 4.476 4.120 -0.001 0.000 0.298 1305 V C -0.015 176.190 176.094 0.185 0.000 1.028 1305 V CA -1.076 61.328 62.300 0.174 0.000 0.860 1305 V CB 1.319 33.007 31.823 -0.225 0.000 0.991 1305 V HN 0.316 nan 8.190 nan 0.000 0.427 1306 L N 4.750 126.047 121.223 0.123 0.000 2.292 1306 L HA 0.578 4.918 4.340 -0.001 0.000 0.284 1306 L C 0.184 177.090 176.870 0.060 0.000 1.065 1306 L CA -0.240 54.659 54.840 0.099 0.000 0.806 1306 L CB 1.016 43.117 42.059 0.071 0.000 1.175 1306 L HN 0.633 nan 8.230 nan 0.000 0.431 1307 E N 1.935 122.188 120.200 0.089 0.000 2.227 1307 E HA 0.574 4.923 4.350 -0.001 0.000 0.268 1307 E C -1.011 175.628 176.600 0.064 0.000 0.907 1307 E CA -0.623 55.822 56.400 0.076 0.000 0.786 1307 E CB 2.692 32.463 29.700 0.119 0.000 1.191 1307 E HN 0.482 nan 8.360 nan 0.000 0.411 1308 T N 0.924 115.505 114.554 0.045 0.000 2.901 1308 T HA 0.334 4.683 4.350 -0.001 0.000 0.293 1308 T C -1.278 173.436 174.700 0.025 0.000 1.084 1308 T CA -0.804 61.316 62.100 0.033 0.000 1.008 1308 T CB 1.294 70.174 68.868 0.021 0.000 1.170 1308 T HN 0.245 nan 8.240 nan 0.000 0.509 1309 D N 0.962 121.373 120.400 0.018 0.000 2.464 1309 D HA 0.623 5.263 4.640 -0.001 0.000 0.243 1309 D C 0.276 176.578 176.300 0.003 0.000 1.104 1309 D CA 0.441 54.447 54.000 0.010 0.000 0.883 1309 D CB 0.757 41.561 40.800 0.008 0.000 1.050 1309 D HN 0.990 nan 8.370 nan 0.000 0.524 1310 G N -0.199 108.597 108.800 -0.006 0.000 2.355 1310 G HA2 0.228 4.187 3.960 -0.001 0.000 0.619 1310 G HA3 0.228 4.187 3.960 -0.001 0.000 0.619 1310 G C -1.635 173.249 174.900 -0.028 0.000 1.337 1310 G CA -0.872 44.217 45.100 -0.018 0.000 0.993 1310 G HN 0.342 nan 8.290 nan 0.000 0.599 1311 V N 0.842 120.731 119.914 -0.041 0.000 2.888 1311 V HA 0.869 4.988 4.120 -0.001 0.000 0.309 1311 V C -0.495 175.567 176.094 -0.054 0.000 1.114 1311 V CA -0.753 61.516 62.300 -0.051 0.000 0.940 1311 V CB 2.210 33.993 31.823 -0.068 0.000 1.021 1311 V HN 1.220 nan 8.190 nan 0.000 0.426 1312 N N 2.610 121.279 118.700 -0.052 0.000 3.506 1312 N HA 0.070 4.809 4.740 -0.001 0.000 0.174 1312 N C -0.139 175.343 175.510 -0.045 0.000 1.488 1312 N CA -0.316 52.703 53.050 -0.051 0.000 0.834 1312 N CB 1.089 39.544 38.487 -0.055 0.000 1.677 1312 N HN 0.572 nan 8.380 nan 0.000 0.654 1313 L N 2.379 123.572 121.223 -0.050 0.000 2.005 1313 L HA 0.063 4.403 4.340 -0.001 0.000 0.207 1313 L C 1.974 178.823 176.870 -0.034 0.000 1.072 1313 L CA 2.588 57.400 54.840 -0.047 0.000 0.744 1313 L CB -0.917 41.105 42.059 -0.060 0.000 0.895 1313 L HN 0.503 nan 8.230 nan 0.000 0.433 1314 S N -1.511 114.170 115.700 -0.033 0.000 2.559 1314 S HA -0.136 4.333 4.470 -0.001 0.000 0.250 1314 S C 1.577 176.165 174.600 -0.021 0.000 0.977 1314 S CA 1.160 59.346 58.200 -0.024 0.000 0.958 1314 S CB -0.567 62.619 63.200 -0.023 0.000 0.751 1314 S HN 0.633 nan 8.310 nan 0.000 0.534 1315 E N 0.573 120.759 120.200 -0.024 0.000 2.228 1315 E HA 0.127 4.477 4.350 -0.001 0.000 0.197 1315 E C 2.151 178.743 176.600 -0.014 0.000 0.909 1315 E CA 0.699 57.086 56.400 -0.021 0.000 0.911 1315 E CB -0.095 29.588 29.700 -0.028 0.000 0.887 1315 E HN 0.438 nan 8.360 nan 0.000 0.481 1316 V N 3.001 122.906 119.914 -0.015 0.000 2.427 1316 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 1316 V C 2.627 178.719 176.094 -0.003 0.000 1.051 1316 V CA 1.921 64.217 62.300 -0.008 0.000 1.048 1316 V CB -0.769 31.048 31.823 -0.010 0.000 0.666 1316 V HN 0.354 nan 8.190 nan 0.000 0.456 1317 M N 1.184 120.781 119.600 -0.006 0.000 2.476 1317 M HA -0.067 4.413 4.480 -0.001 0.000 0.262 1317 M C 1.882 178.184 176.300 0.005 0.000 1.079 1317 M CA 2.057 57.358 55.300 0.000 0.000 1.104 1317 M CB -1.045 31.553 32.600 -0.003 0.000 1.409 1317 M HN 0.395 nan 8.290 nan 0.000 0.467 1318 T N -1.384 113.170 114.554 0.001 0.000 3.148 1318 T HA 0.240 4.590 4.350 -0.001 0.000 0.253 1318 T C 0.555 175.258 174.700 0.005 0.000 1.134 1318 T CA -0.305 61.796 62.100 0.002 0.000 1.051 1318 T CB -0.666 68.201 68.868 -0.001 0.000 0.959 1318 T HN 0.219 nan 8.240 nan 0.000 0.525 1319 V N 4.366 124.285 119.914 0.007 0.000 2.715 1319 V HA 0.253 4.372 4.120 -0.001 0.000 0.299 1319 V C -1.636 174.467 176.094 0.015 0.000 1.054 1319 V CA -1.809 60.497 62.300 0.010 0.000 1.077 1319 V CB 0.621 32.450 31.823 0.011 0.000 0.972 1319 V HN 0.416 nan 8.190 nan 0.000 0.484 1320 P HA 0.138 nan 4.420 nan 0.000 0.267 1320 P C 0.799 178.114 177.300 0.026 0.000 1.200 1320 P CA 0.964 64.075 63.100 0.019 0.000 0.772 1320 P CB 0.571 32.281 31.700 0.016 0.000 0.855 1321 G N 1.123 109.943 108.800 0.033 0.000 2.184 1321 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.264 1321 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.264 1321 G C 0.184 175.116 174.900 0.053 0.000 0.975 1321 G CA 0.351 45.478 45.100 0.045 0.000 0.642 1321 G HN 0.777 nan 8.290 nan 0.000 0.536 1322 I N -1.401 119.198 120.570 0.048 0.000 2.982 1322 I HA 0.765 4.935 4.170 -0.001 0.000 0.312 1322 I C -1.224 174.930 176.117 0.062 0.000 1.041 1322 I CA -1.381 59.955 61.300 0.060 0.000 1.053 1322 I CB 1.903 39.933 38.000 0.051 0.000 1.248 1322 I HN -0.063 nan 8.210 nan 0.000 0.471 1323 D N 5.241 125.691 120.400 0.084 0.000 2.396 1323 D HA 0.394 5.034 4.640 -0.001 0.000 0.225 1323 D C -2.099 174.248 176.300 0.077 0.000 1.121 1323 D CA -1.819 52.232 54.000 0.085 0.000 0.853 1323 D CB 1.448 42.319 40.800 0.117 0.000 1.043 1323 D HN 0.345 nan 8.370 nan 0.000 0.500 1324 P HA 0.172 nan 4.420 nan 0.000 0.253 1324 P C 0.509 177.836 177.300 0.045 0.000 1.459 1324 P CA 0.047 63.171 63.100 0.040 0.000 0.908 1324 P CB 0.620 32.336 31.700 0.027 0.000 1.470 1325 T N -0.738 113.854 114.554 0.063 0.000 2.959 1325 T HA 0.136 4.486 4.350 -0.001 0.000 0.254 1325 T C 1.211 175.971 174.700 0.100 0.000 1.003 1325 T CA 0.099 62.239 62.100 0.065 0.000 0.950 1325 T CB 0.276 69.175 68.868 0.052 0.000 1.090 1325 T HN 0.237 nan 8.240 nan 0.000 0.503 1326 R N 0.196 120.782 120.500 0.143 0.000 2.541 1326 R HA 0.456 4.795 4.340 -0.001 0.000 0.332 1326 R C 0.401 176.796 176.300 0.158 0.000 0.951 1326 R CA -0.353 55.886 56.100 0.233 0.000 1.136 1326 R CB 0.167 30.686 30.300 0.366 0.000 1.449 1326 R HN 0.263 nan 8.270 nan 0.000 0.531 1327 I N 1.939 122.546 120.570 0.061 0.000 2.815 1327 I HA -0.038 4.132 4.170 -0.001 0.000 0.291 1327 I C -0.891 175.234 176.117 0.013 0.000 1.209 1327 I CA 0.462 61.737 61.300 -0.042 0.000 1.431 1327 I CB 0.403 38.394 38.000 -0.015 0.000 1.351 1327 I HN 0.160 nan 8.210 nan 0.000 0.585 1328 Y N 5.163 125.349 120.300 -0.191 0.000 2.442 1328 Y HA 0.319 4.868 4.550 -0.001 0.000 0.330 1328 Y C -0.865 174.974 175.900 -0.101 0.000 1.100 1328 Y CA -0.608 57.419 58.100 -0.121 0.000 1.034 1328 Y CB 1.774 40.159 38.460 -0.125 0.000 1.285 1328 Y HN 0.436 nan 8.280 nan 0.000 0.440 1329 T N 4.947 119.295 114.554 -0.342 0.000 2.841 1329 T HA 0.137 4.486 4.350 -0.001 0.000 0.283 1329 T C 0.649 175.176 174.700 -0.287 0.000 1.000 1329 T CA -0.649 61.344 62.100 -0.179 0.000 0.977 1329 T CB 0.632 69.407 68.868 -0.155 0.000 0.979 1329 T HN 0.819 nan 8.240 nan 0.000 0.446 1330 N N 2.072 120.798 118.700 0.043 0.000 2.364 1330 N HA -0.083 4.656 4.740 -0.001 0.000 0.183 1330 N C 0.941 176.438 175.510 -0.021 0.000 1.022 1330 N CA 0.422 53.560 53.050 0.147 0.000 0.883 1330 N CB -0.266 38.315 38.487 0.156 0.000 0.965 1330 N HN 0.394 nan 8.380 nan 0.000 0.438 1331 S N 0.554 116.172 115.700 -0.136 0.000 2.465 1331 S HA 0.053 4.523 4.470 -0.001 0.000 0.307 1331 S C 0.720 175.175 174.600 -0.242 0.000 1.187 1331 S CA -0.925 57.124 58.200 -0.252 0.000 1.141 1331 S CB -0.876 62.195 63.200 -0.215 0.000 1.108 1331 S HN 0.325 nan 8.310 nan 0.000 0.525 1332 F N 4.129 124.040 119.950 -0.064 0.000 2.604 1332 F HA 0.243 4.770 4.527 -0.001 0.000 0.298 1332 F C 1.367 177.138 175.800 -0.049 0.000 1.131 1332 F CA -0.085 57.878 58.000 -0.062 0.000 1.457 1332 F CB -0.407 38.588 39.000 -0.008 0.000 1.095 1332 F HN 0.526 nan 8.300 nan 0.000 0.574 1333 I N 0.954 121.368 120.570 -0.261 0.000 3.428 1333 I HA -0.078 4.092 4.170 -0.001 0.000 0.286 1333 I C 0.465 176.546 176.117 -0.060 0.000 1.287 1333 I CA 1.013 62.259 61.300 -0.090 0.000 1.396 1333 I CB -0.627 37.252 38.000 -0.201 0.000 1.062 1333 I HN 0.132 nan 8.210 nan 0.000 0.471 1334 D N -0.559 119.788 120.400 -0.087 0.000 2.454 1334 D HA 0.083 4.722 4.640 -0.001 0.000 0.219 1334 D C 2.061 178.326 176.300 -0.060 0.000 1.081 1334 D CA 0.100 54.058 54.000 -0.070 0.000 0.867 1334 D CB 0.523 41.269 40.800 -0.091 0.000 1.054 1334 D HN 0.059 nan 8.370 nan 0.000 0.500 1335 I N 0.965 121.495 120.570 -0.066 0.000 2.394 1335 I HA -0.137 4.032 4.170 -0.001 0.000 0.251 1335 I C 2.140 178.252 176.117 -0.008 0.000 1.136 1335 I CA 0.970 62.233 61.300 -0.063 0.000 1.425 1335 I CB -0.683 37.256 38.000 -0.102 0.000 1.079 1335 I HN 0.176 nan 8.210 nan 0.000 0.425 1336 M N 0.765 120.382 119.600 0.028 0.000 2.098 1336 M HA -0.171 4.308 4.480 -0.001 0.000 0.262 1336 M C 2.101 178.413 176.300 0.020 0.000 1.072 1336 M CA 1.699 57.024 55.300 0.042 0.000 1.133 1336 M CB -0.454 32.197 32.600 0.086 0.000 1.344 1336 M HN 0.213 nan 8.290 nan 0.000 0.414 1337 E N -0.690 119.515 120.200 0.009 0.000 2.171 1337 E HA -0.189 4.160 4.350 -0.001 0.000 0.197 1337 E C 1.844 178.441 176.600 -0.006 0.000 0.997 1337 E CA 1.573 57.972 56.400 -0.001 0.000 0.810 1337 E CB 0.130 29.823 29.700 -0.013 0.000 0.738 1337 E HN 0.404 nan 8.360 nan 0.000 0.467 1338 V N -0.186 119.721 119.914 -0.012 0.000 3.048 1338 V HA -0.016 4.103 4.120 -0.001 0.000 0.241 1338 V C 1.763 177.852 176.094 -0.008 0.000 1.129 1338 V CA 0.557 62.848 62.300 -0.014 0.000 1.128 1338 V CB 0.226 32.034 31.823 -0.025 0.000 0.849 1338 V HN 0.166 nan 8.190 nan 0.000 0.475 1339 L N 0.082 121.301 121.223 -0.006 0.000 2.609 1339 L HA 0.606 4.945 4.340 -0.001 0.000 0.230 1339 L C 0.955 177.829 176.870 0.007 0.000 1.087 1339 L CA 0.726 55.566 54.840 -0.000 0.000 0.874 1339 L CB 0.371 42.429 42.059 -0.001 0.000 1.114 1339 L HN 0.495 nan 8.230 nan 0.000 0.488 1340 G N 0.538 109.344 108.800 0.010 0.000 2.697 1340 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.686 1340 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.686 1340 G C 0.135 175.046 174.900 0.019 0.000 1.179 1340 G CA -0.254 44.854 45.100 0.014 0.000 0.765 1340 G HN -0.019 nan 8.290 nan 0.000 0.649 1341 I N 0.529 121.111 120.570 0.020 0.000 2.182 1341 I HA -0.209 3.960 4.170 -0.001 0.000 0.248 1341 I C 2.305 178.434 176.117 0.020 0.000 1.073 1341 I CA 2.992 64.305 61.300 0.022 0.000 1.335 1341 I CB 0.070 38.082 38.000 0.020 0.000 1.031 1341 I HN 0.700 nan 8.210 nan 0.000 0.420 1342 E N 0.605 120.815 120.200 0.018 0.000 2.077 1342 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 1342 E C 2.247 178.859 176.600 0.021 0.000 0.989 1342 E CA 1.397 57.807 56.400 0.016 0.000 0.800 1342 E CB -0.503 29.205 29.700 0.013 0.000 0.746 1342 E HN 0.669 nan 8.360 nan 0.000 0.452 1343 A N 0.893 123.728 122.820 0.025 0.000 1.858 1343 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 1343 A C 2.496 180.108 177.584 0.047 0.000 1.190 1343 A CA 2.125 54.184 52.037 0.037 0.000 0.617 1343 A CB -1.331 17.687 19.000 0.030 0.000 0.827 1343 A HN 0.351 nan 8.150 nan 0.000 0.443 1344 G N -0.326 108.499 108.800 0.042 0.000 2.679 1344 G HA2 -0.419 3.541 3.960 -0.001 0.000 0.222 1344 G HA3 -0.419 3.541 3.960 -0.001 0.000 0.222 1344 G C 1.736 176.653 174.900 0.028 0.000 1.164 1344 G CA 1.524 46.656 45.100 0.052 0.000 0.769 1344 G HN 0.571 nan 8.290 nan 0.000 0.610 1345 R N 0.537 121.044 120.500 0.013 0.000 2.133 1345 R HA -0.170 4.170 4.340 -0.001 0.000 0.245 1345 R C 2.749 179.069 176.300 0.033 0.000 1.137 1345 R CA 2.020 58.116 56.100 -0.005 0.000 0.947 1345 R CB -0.479 29.815 30.300 -0.011 0.000 0.865 1345 R HN 0.398 nan 8.270 nan 0.000 0.437 1346 A N -0.782 122.085 122.820 0.078 0.000 2.178 1346 A HA 0.234 4.553 4.320 -0.001 0.000 0.211 1346 A C 1.885 179.608 177.584 0.231 0.000 1.157 1346 A CA 0.826 52.963 52.037 0.165 0.000 0.780 1346 A CB 0.057 19.139 19.000 0.137 0.000 0.828 1346 A HN 0.500 nan 8.150 nan 0.000 0.476 1347 A N -0.343 122.586 122.820 0.181 0.000 1.975 1347 A HA 0.159 4.479 4.320 -0.001 0.000 0.215 1347 A C 1.977 179.688 177.584 0.211 0.000 1.170 1347 A CA 1.180 53.362 52.037 0.242 0.000 0.656 1347 A CB -0.460 18.628 19.000 0.148 0.000 0.821 1347 A HN 0.530 nan 8.150 nan 0.000 0.449 1348 L N -1.406 119.842 121.223 0.042 0.000 1.989 1348 L HA -0.182 4.157 4.340 -0.001 0.000 0.211 1348 L C 2.348 179.202 176.870 -0.027 0.000 1.071 1348 L CA 2.444 57.138 54.840 -0.242 0.000 0.749 1348 L CB -0.717 41.058 42.059 -0.475 0.000 0.890 1348 L HN 0.517 nan 8.230 nan 0.000 0.431 1349 Y N 0.724 120.995 120.300 -0.049 0.000 2.069 1349 Y HA -0.404 4.145 4.550 -0.001 0.000 0.278 1349 Y C 2.653 178.629 175.900 0.126 0.000 1.175 1349 Y CA 2.483 60.593 58.100 0.016 0.000 1.134 1349 Y CB -0.506 37.959 38.460 0.009 0.000 0.965 1349 Y HN 0.188 nan 8.280 nan 0.000 0.498 1350 K N 0.356 120.795 120.400 0.064 0.000 2.113 1350 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 1350 K C 1.876 178.525 176.600 0.082 0.000 1.047 1350 K CA 2.006 58.325 56.287 0.053 0.000 0.928 1350 K CB -0.182 32.451 32.500 0.222 0.000 0.716 1350 K HN 0.411 nan 8.250 nan 0.000 0.446 1351 E N -0.372 119.907 120.200 0.131 0.000 2.051 1351 E HA -0.079 4.271 4.350 -0.001 0.000 0.189 1351 E C 2.127 178.767 176.600 0.067 0.000 0.979 1351 E CA 0.974 57.461 56.400 0.145 0.000 0.803 1351 E CB -0.466 29.394 29.700 0.267 0.000 0.761 1351 E HN 0.085 nan 8.360 nan 0.000 0.451 1352 V N 1.218 121.145 119.914 0.022 0.000 2.380 1352 V HA -0.276 3.843 4.120 -0.001 0.000 0.251 1352 V C 2.224 178.320 176.094 0.004 0.000 1.063 1352 V CA 1.842 64.147 62.300 0.009 0.000 1.055 1352 V CB -0.597 31.232 31.823 0.011 0.000 0.657 1352 V HN 0.228 nan 8.190 nan 0.000 0.455 1353 Y N 0.794 120.953 120.300 -0.234 0.000 2.206 1353 Y HA 0.006 4.555 4.550 -0.001 0.000 0.292 1353 Y C 2.025 177.880 175.900 -0.076 0.000 1.123 1353 Y CA 1.336 59.300 58.100 -0.226 0.000 1.142 1353 Y CB -0.169 38.004 38.460 -0.478 0.000 1.006 1353 Y HN 0.193 nan 8.280 nan 0.000 0.518 1354 N N 0.715 119.386 118.700 -0.048 0.000 2.542 1354 N HA -0.015 4.724 4.740 -0.001 0.000 0.234 1354 N C 0.395 175.865 175.510 -0.067 0.000 1.257 1354 N CA 0.310 53.312 53.050 -0.081 0.000 0.883 1354 N CB 0.225 38.719 38.487 0.013 0.000 1.197 1354 N HN 0.276 nan 8.380 nan 0.000 0.488 1355 V N -0.456 119.403 119.914 -0.091 0.000 3.305 1355 V HA 0.083 4.202 4.120 -0.001 0.000 0.247 1355 V C 1.716 177.770 176.094 -0.066 0.000 1.426 1355 V CA 0.109 62.379 62.300 -0.050 0.000 1.162 1355 V CB 0.529 32.346 31.823 -0.010 0.000 0.961 1355 V HN 0.162 nan 8.190 nan 0.000 0.449 1356 I N 0.685 121.184 120.570 -0.118 0.000 2.429 1356 I HA 0.095 4.265 4.170 -0.001 0.000 0.247 1356 I C 2.575 178.620 176.117 -0.121 0.000 1.099 1356 I CA 1.728 62.977 61.300 -0.085 0.000 1.422 1356 I CB -1.590 36.389 38.000 -0.036 0.000 1.112 1356 I HN 0.269 nan 8.210 nan 0.000 0.430 1357 A N 1.666 124.299 122.820 -0.312 0.000 1.929 1357 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 1357 A C 2.497 180.001 177.584 -0.134 0.000 1.176 1357 A CA 1.775 53.646 52.037 -0.276 0.000 0.628 1357 A CB -0.728 17.898 19.000 -0.623 0.000 0.816 1357 A HN 0.544 nan 8.150 nan 0.000 0.444 1358 S N -0.201 115.423 115.700 -0.127 0.000 2.423 1358 S HA -0.172 4.298 4.470 -0.001 0.000 0.231 1358 S C 1.334 175.958 174.600 0.040 0.000 1.014 1358 S CA 1.562 59.755 58.200 -0.011 0.000 0.965 1358 S CB -0.464 62.732 63.200 -0.006 0.000 0.785 1358 S HN 0.512 nan 8.310 nan 0.000 0.495 1359 D N 1.050 121.456 120.400 0.010 0.000 2.347 1359 D HA 0.258 4.898 4.640 -0.001 0.000 0.213 1359 D C 1.362 177.686 176.300 0.041 0.000 0.985 1359 D CA 0.985 55.006 54.000 0.034 0.000 0.879 1359 D CB -0.264 40.547 40.800 0.020 0.000 0.919 1359 D HN 0.580 nan 8.370 nan 0.000 0.526 1360 G N -0.588 108.229 108.800 0.029 0.000 2.141 1360 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.242 1360 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.242 1360 G C 0.273 175.210 174.900 0.062 0.000 0.982 1360 G CA 0.309 45.434 45.100 0.042 0.000 0.662 1360 G HN 0.310 nan 8.290 nan 0.000 0.527 1361 S N -0.581 115.157 115.700 0.063 0.000 2.608 1361 S HA 0.704 5.173 4.470 -0.001 0.000 0.291 1361 S C -0.760 173.949 174.600 0.181 0.000 1.146 1361 S CA -0.538 57.724 58.200 0.104 0.000 1.043 1361 S CB 1.913 65.154 63.200 0.069 0.000 1.037 1361 S HN 0.741 nan 8.310 nan 0.000 0.520 1362 Y N 1.576 121.923 120.300 0.078 0.000 2.376 1362 Y HA 0.665 5.215 4.550 -0.001 0.000 0.340 1362 Y C -1.374 174.629 175.900 0.171 0.000 0.965 1362 Y CA -1.114 57.064 58.100 0.130 0.000 1.078 1362 Y CB 0.897 39.436 38.460 0.131 0.000 1.193 1362 Y HN 0.387 nan 8.280 nan 0.000 0.452 1363 V N 6.018 125.785 119.914 -0.244 0.000 2.686 1363 V HA 0.267 4.386 4.120 -0.001 0.000 0.306 1363 V C -0.663 175.265 176.094 -0.276 0.000 1.065 1363 V CA -1.332 60.833 62.300 -0.225 0.000 0.894 1363 V CB 1.862 33.727 31.823 0.069 0.000 1.004 1363 V HN 0.833 nan 8.190 nan 0.000 0.424 1364 N N 2.767 121.316 118.700 -0.250 0.000 2.431 1364 N HA 0.109 4.848 4.740 -0.001 0.000 0.265 1364 N C 0.997 176.557 175.510 0.084 0.000 1.184 1364 N CA -0.167 52.842 53.050 -0.068 0.000 0.943 1364 N CB 0.273 38.723 38.487 -0.062 0.000 1.080 1364 N HN 0.712 nan 8.380 nan 0.000 0.477 1365 Y N 5.125 125.490 120.300 0.109 0.000 2.120 1365 Y HA -0.562 3.988 4.550 -0.001 0.000 0.200 1365 Y C 2.145 177.997 175.900 -0.080 0.000 1.255 1365 Y CA 3.026 61.160 58.100 0.056 0.000 0.923 1365 Y CB -0.481 37.977 38.460 -0.004 0.000 0.722 1365 Y HN 0.710 nan 8.280 nan 0.000 0.561 1366 R N -1.425 119.001 120.500 -0.123 0.000 2.224 1366 R HA -0.344 3.995 4.340 -0.001 0.000 0.255 1366 R C 1.787 177.897 176.300 -0.316 0.000 1.130 1366 R CA 2.165 58.039 56.100 -0.376 0.000 0.957 1366 R CB -1.714 28.298 30.300 -0.481 0.000 0.907 1366 R HN 0.581 nan 8.270 nan 0.000 0.446 1367 H N 0.861 119.888 119.070 -0.072 0.000 2.253 1367 H HA -0.026 4.529 4.556 -0.001 0.000 0.296 1367 H C 2.378 177.663 175.328 -0.071 0.000 1.074 1367 H CA 2.029 58.060 56.048 -0.028 0.000 1.263 1367 H CB -0.508 29.265 29.762 0.019 0.000 1.363 1367 H HN 0.271 nan 8.280 nan 0.000 0.489 1368 M N 0.188 119.849 119.600 0.101 0.000 2.279 1368 M HA -0.072 4.407 4.480 -0.001 0.000 0.264 1368 M C 2.653 178.907 176.300 -0.078 0.000 1.062 1368 M CA 1.132 56.486 55.300 0.090 0.000 1.099 1368 M CB -0.161 32.618 32.600 0.298 0.000 1.394 1368 M HN 0.254 nan 8.290 nan 0.000 0.426 1369 A N 0.682 123.262 122.820 -0.400 0.000 1.851 1369 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 1369 A C 2.111 179.508 177.584 -0.313 0.000 1.195 1369 A CA 1.590 53.248 52.037 -0.631 0.000 0.622 1369 A CB -0.933 17.415 19.000 -1.088 0.000 0.831 1369 A HN 0.434 nan 8.150 nan 0.000 0.444 1370 L N -0.802 120.289 121.223 -0.220 0.000 2.079 1370 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 1370 L C 2.297 179.114 176.870 -0.087 0.000 1.081 1370 L CA 1.847 56.619 54.840 -0.114 0.000 0.752 1370 L CB -0.428 41.620 42.059 -0.018 0.000 0.896 1370 L HN 0.457 nan 8.230 nan 0.000 0.433 1371 L N -1.497 119.683 121.223 -0.071 0.000 1.994 1371 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 1371 L C 2.378 179.196 176.870 -0.087 0.000 1.071 1371 L CA 1.841 56.637 54.840 -0.074 0.000 0.745 1371 L CB -0.952 41.077 42.059 -0.051 0.000 0.892 1371 L HN 0.047 nan 8.230 nan 0.000 0.431 1372 V N 0.368 120.231 119.914 -0.084 0.000 2.332 1372 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 1372 V C 2.388 178.422 176.094 -0.101 0.000 1.055 1372 V CA 2.126 64.374 62.300 -0.087 0.000 1.038 1372 V CB -0.711 31.079 31.823 -0.055 0.000 0.651 1372 V HN 0.539 nan 8.190 nan 0.000 0.450 1373 D N -0.273 120.057 120.400 -0.116 0.000 2.078 1373 D HA -0.135 4.505 4.640 -0.001 0.000 0.193 1373 D C 2.208 178.459 176.300 -0.082 0.000 0.990 1373 D CA 1.590 55.531 54.000 -0.100 0.000 0.827 1373 D CB -0.295 40.437 40.800 -0.113 0.000 0.975 1373 D HN 0.304 nan 8.370 nan 0.000 0.451 1374 V N 1.404 121.267 119.914 -0.085 0.000 2.370 1374 V HA -0.268 3.851 4.120 -0.001 0.000 0.252 1374 V C 2.503 178.561 176.094 -0.061 0.000 1.068 1374 V CA 1.416 63.671 62.300 -0.075 0.000 1.061 1374 V CB -0.408 31.360 31.823 -0.091 0.000 0.656 1374 V HN 0.246 nan 8.190 nan 0.000 0.455 1375 M N -1.235 118.324 119.600 -0.070 0.000 2.549 1375 M HA -0.114 4.365 4.480 -0.001 0.000 0.260 1375 M C 1.851 178.128 176.300 -0.039 0.000 1.076 1375 M CA 1.396 56.663 55.300 -0.055 0.000 1.090 1375 M CB -0.200 32.351 32.600 -0.083 0.000 1.418 1375 M HN 0.362 nan 8.290 nan 0.000 0.486 1376 T N -1.208 113.320 114.554 -0.043 0.000 3.038 1376 T HA -0.014 4.335 4.350 -0.001 0.000 0.244 1376 T C 1.808 176.498 174.700 -0.016 0.000 1.016 1376 T CA 1.291 63.373 62.100 -0.029 0.000 1.098 1376 T CB 0.012 68.857 68.868 -0.038 0.000 0.954 1376 T HN 0.494 nan 8.240 nan 0.000 0.469 1377 T N 0.936 115.475 114.554 -0.025 0.000 2.759 1377 T HA -0.168 4.181 4.350 -0.001 0.000 0.269 1377 T C 1.702 176.397 174.700 -0.008 0.000 1.042 1377 T CA 1.115 63.202 62.100 -0.021 0.000 1.140 1377 T CB -0.476 68.365 68.868 -0.046 0.000 0.864 1377 T HN 0.286 nan 8.240 nan 0.000 0.455 1378 Q N 1.315 121.114 119.800 -0.003 0.000 2.518 1378 Q HA 0.174 4.514 4.340 -0.001 0.000 0.217 1378 Q C 1.580 177.589 176.000 0.014 0.000 0.974 1378 Q CA 0.556 56.363 55.803 0.007 0.000 0.971 1378 Q CB -0.734 28.013 28.738 0.015 0.000 0.988 1378 Q HN 0.865 nan 8.270 nan 0.000 0.536 1379 G N -1.319 107.489 108.800 0.014 0.000 2.850 1379 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.207 1379 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.207 1379 G C 0.332 175.245 174.900 0.022 0.000 1.302 1379 G CA -0.227 44.884 45.100 0.019 0.000 0.832 1379 G HN 0.624 nan 8.290 nan 0.000 0.543 1380 G N -0.368 108.448 108.800 0.026 0.000 3.217 1380 G HA2 0.689 4.648 3.960 -0.001 0.000 0.213 1380 G HA3 0.689 4.648 3.960 -0.001 0.000 0.213 1380 G C -0.533 174.388 174.900 0.035 0.000 1.294 1380 G CA -0.646 44.473 45.100 0.032 0.000 0.987 1380 G HN 0.735 nan 8.290 nan 0.000 0.584 1381 L N 0.472 121.726 121.223 0.051 0.000 2.397 1381 L HA 0.447 4.787 4.340 -0.001 0.000 0.271 1381 L C -0.058 176.848 176.870 0.059 0.000 1.148 1381 L CA 0.162 55.037 54.840 0.058 0.000 0.825 1381 L CB 1.636 43.762 42.059 0.112 0.000 1.117 1381 L HN 0.407 nan 8.230 nan 0.000 0.456 1382 T N 0.227 114.812 114.554 0.052 0.000 3.103 1382 T HA 0.214 4.563 4.350 -0.001 0.000 0.352 1382 T C -0.141 174.606 174.700 0.078 0.000 1.048 1382 T CA -0.828 61.312 62.100 0.067 0.000 1.175 1382 T CB 0.868 69.771 68.868 0.060 0.000 1.029 1382 T HN 0.650 nan 8.240 nan 0.000 0.498 1383 S N 1.408 117.168 115.700 0.099 0.000 2.569 1383 S HA 0.171 4.641 4.470 -0.001 0.000 0.274 1383 S C 1.075 175.758 174.600 0.138 0.000 1.353 1383 S CA -0.609 57.653 58.200 0.104 0.000 1.023 1383 S CB 0.404 63.670 63.200 0.111 0.000 0.876 1383 S HN 1.029 nan 8.310 nan 0.000 0.540 1384 V N 0.156 120.118 119.914 0.081 0.000 2.135 1384 V HA 0.505 4.624 4.120 -0.001 0.000 0.287 1384 V C -0.155 176.052 176.094 0.188 0.000 1.607 1384 V CA -0.194 62.135 62.300 0.048 0.000 1.585 1384 V CB -1.739 29.985 31.823 -0.164 0.000 1.470 1384 V HN 0.934 nan 8.190 nan 0.000 0.513 1385 T N 0.949 115.718 114.554 0.358 0.000 2.841 1385 T HA 0.429 4.778 4.350 -0.001 0.000 0.296 1385 T C 0.864 175.780 174.700 0.360 0.000 1.166 1385 T CA -0.459 61.888 62.100 0.411 0.000 1.007 1385 T CB 1.762 70.850 68.868 0.366 0.000 1.253 1385 T HN 0.558 nan 8.240 nan 0.000 0.511 1386 R N 0.328 121.052 120.500 0.373 0.000 2.397 1386 R HA -0.115 4.225 4.340 -0.001 0.000 0.213 1386 R C 0.880 177.114 176.300 -0.111 0.000 1.102 1386 R CA 1.323 57.503 56.100 0.134 0.000 1.040 1386 R CB -0.555 29.837 30.300 0.153 0.000 0.844 1386 R HN 0.666 nan 8.270 nan 0.000 0.478 1387 H N 0.119 119.220 119.070 0.053 0.000 2.344 1387 H HA 0.098 4.653 4.556 -0.001 0.000 0.307 1387 H C 1.889 177.218 175.328 0.002 0.000 1.057 1387 H CA 1.365 57.428 56.048 0.025 0.000 1.373 1387 H CB -0.057 29.737 29.762 0.052 0.000 1.421 1387 H HN 0.394 nan 8.280 nan 0.000 0.532 1388 G N 1.116 110.028 108.800 0.187 0.000 2.561 1388 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.208 1388 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.208 1388 G C 1.473 176.399 174.900 0.044 0.000 1.510 1388 G CA 0.534 45.711 45.100 0.129 0.000 0.941 1388 G HN 0.388 nan 8.290 nan 0.000 0.478 1389 F N 1.627 121.560 119.950 -0.030 0.000 2.161 1389 F HA -0.065 4.461 4.527 -0.001 0.000 0.300 1389 F C 1.992 177.735 175.800 -0.095 0.000 1.089 1389 F CA 1.819 59.774 58.000 -0.076 0.000 1.282 1389 F CB -0.560 38.366 39.000 -0.123 0.000 1.010 1389 F HN 0.244 nan 8.300 nan 0.000 0.485 1390 N N 1.004 118.832 118.700 -1.453 0.000 2.331 1390 N HA -0.169 4.571 4.740 -0.001 0.000 0.180 1390 N C 1.771 176.998 175.510 -0.472 0.000 1.019 1390 N CA 1.152 53.473 53.050 -1.214 0.000 0.881 1390 N CB -0.225 37.593 38.487 -1.115 0.000 0.972 1390 N HN 0.467 nan 8.380 nan 0.000 0.435 1391 R N -0.027 120.292 120.500 -0.302 0.000 2.235 1391 R HA 0.170 4.510 4.340 -0.001 0.000 0.213 1391 R C 0.763 176.988 176.300 -0.125 0.000 1.059 1391 R CA 0.253 56.251 56.100 -0.169 0.000 0.997 1391 R CB -0.956 29.280 30.300 -0.108 0.000 0.884 1391 R HN 0.003 nan 8.270 nan 0.000 0.462 1392 S N 1.513 117.137 115.700 -0.127 0.000 2.554 1392 S HA -0.130 4.340 4.470 -0.001 0.000 0.290 1392 S C 0.413 174.978 174.600 -0.058 0.000 1.309 1392 S CA -0.011 58.150 58.200 -0.065 0.000 1.047 1392 S CB -0.095 63.087 63.200 -0.031 0.000 0.828 1392 S HN 0.750 nan 8.310 nan 0.000 0.509 1393 N N 3.037 121.718 118.700 -0.031 0.000 2.926 1393 N HA 0.028 4.768 4.740 -0.001 0.000 0.284 1393 N C 0.496 176.000 175.510 -0.011 0.000 1.303 1393 N CA -0.258 52.778 53.050 -0.023 0.000 1.062 1393 N CB -0.035 38.446 38.487 -0.011 0.000 1.389 1393 N HN 0.410 nan 8.380 nan 0.000 0.538 1394 T N -0.827 113.717 114.554 -0.016 0.000 5.323 1394 T HA 0.231 4.581 4.350 -0.001 0.000 0.341 1394 T C 1.434 176.141 174.700 0.012 0.000 0.998 1394 T CA 0.123 62.225 62.100 0.003 0.000 1.043 1394 T CB -0.474 68.399 68.868 0.009 0.000 1.660 1394 T HN 0.449 nan 8.240 nan 0.000 0.395 1395 G N -0.706 108.107 108.800 0.022 0.000 2.873 1395 G HA2 0.488 4.448 3.960 -0.001 0.000 0.170 1395 G HA3 0.488 4.448 3.960 -0.001 0.000 0.170 1395 G C 0.663 175.582 174.900 0.032 0.000 1.608 1395 G CA 0.299 45.427 45.100 0.045 0.000 1.084 1395 G HN 0.746 nan 8.290 nan 0.000 0.563 1396 A N -2.161 120.694 122.820 0.060 0.000 1.803 1396 A HA 0.388 4.707 4.320 -0.001 0.000 0.202 1396 A C 2.204 179.791 177.584 0.005 0.000 1.802 1396 A CA 0.502 52.530 52.037 -0.015 0.000 1.096 1396 A CB -0.558 18.406 19.000 -0.059 0.000 1.046 1396 A HN 0.371 nan 8.150 nan 0.000 0.568 1397 L N 0.240 121.535 121.223 0.120 0.000 1.978 1397 L HA -0.299 4.040 4.340 -0.001 0.000 0.218 1397 L C 2.837 179.747 176.870 0.066 0.000 1.075 1397 L CA 2.602 57.509 54.840 0.111 0.000 0.767 1397 L CB -0.774 41.372 42.059 0.145 0.000 0.890 1397 L HN 0.726 nan 8.230 nan 0.000 0.434 1398 M N -0.425 119.215 119.600 0.067 0.000 2.346 1398 M HA -0.184 4.295 4.480 -0.001 0.000 0.263 1398 M C 1.968 178.303 176.300 0.058 0.000 1.064 1398 M CA 1.776 57.113 55.300 0.061 0.000 1.083 1398 M CB -0.291 32.343 32.600 0.056 0.000 1.399 1398 M HN 0.015 nan 8.290 nan 0.000 0.435 1399 R N -0.545 119.972 120.500 0.030 0.000 2.308 1399 R HA 0.160 4.500 4.340 -0.001 0.000 0.202 1399 R C 2.156 178.476 176.300 0.034 0.000 0.898 1399 R CA 0.684 56.789 56.100 0.008 0.000 1.046 1399 R CB -0.128 30.135 30.300 -0.061 0.000 1.026 1399 R HN 0.763 nan 8.270 nan 0.000 0.512 1400 C N -0.280 119.030 119.300 0.018 0.000 2.563 1400 C HA 0.137 4.596 4.460 -0.001 0.000 0.268 1400 C C 2.076 177.093 174.990 0.045 0.000 1.365 1400 C CA -0.138 58.881 59.018 0.001 0.000 1.754 1400 C CB -0.617 27.087 27.740 -0.059 0.000 1.932 1400 C HN 0.258 nan 8.230 nan 0.000 0.536 1401 S N -0.754 114.997 115.700 0.085 0.000 2.881 1401 S HA 0.128 4.597 4.470 -0.001 0.000 0.228 1401 S C 0.486 175.204 174.600 0.196 0.000 0.965 1401 S CA 0.214 58.477 58.200 0.105 0.000 0.998 1401 S CB -0.839 62.419 63.200 0.098 0.000 0.795 1401 S HN 0.756 nan 8.310 nan 0.000 0.518 1402 F N 1.255 121.215 119.950 0.017 0.000 2.083 1402 F HA 0.620 5.147 4.527 -0.001 0.000 0.225 1402 F C 0.267 176.085 175.800 0.031 0.000 1.146 1402 F CA -0.305 57.725 58.000 0.051 0.000 1.267 1402 F CB 0.090 39.137 39.000 0.078 0.000 1.684 1402 F HN 0.112 nan 8.300 nan 0.000 0.436 1403 E N -0.027 120.011 120.200 -0.271 0.000 2.404 1403 E HA 0.322 4.671 4.350 -0.001 0.000 0.264 1403 E C -1.187 175.328 176.600 -0.142 0.000 0.946 1403 E CA -0.590 55.599 56.400 -0.352 0.000 0.806 1403 E CB 1.490 30.896 29.700 -0.490 0.000 1.334 1403 E HN 0.254 nan 8.360 nan 0.000 0.429 1404 E N 0.014 120.121 120.200 -0.154 0.000 2.103 1404 E HA -0.272 4.077 4.350 -0.001 0.000 0.186 1404 E C 0.136 176.649 176.600 -0.145 0.000 1.392 1404 E CA 0.572 56.890 56.400 -0.137 0.000 0.691 1404 E CB -1.242 28.382 29.700 -0.127 0.000 1.068 1404 E HN 0.467 nan 8.360 nan 0.000 0.328 1405 T N -1.241 113.225 114.554 -0.147 0.000 2.746 1405 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 1405 T C 1.752 176.324 174.700 -0.212 0.000 1.039 1405 T CA 1.090 63.103 62.100 -0.144 0.000 1.142 1405 T CB 0.068 68.865 68.868 -0.118 0.000 0.866 1405 T HN 0.220 nan 8.240 nan 0.000 0.444 1406 V N 2.468 122.214 119.914 -0.281 0.000 2.255 1406 V HA -0.115 4.004 4.120 -0.001 0.000 0.243 1406 V C 2.796 178.537 176.094 -0.588 0.000 1.038 1406 V CA 1.793 63.800 62.300 -0.487 0.000 1.008 1406 V CB -0.493 30.994 31.823 -0.559 0.000 0.645 1406 V HN 0.620 nan 8.190 nan 0.000 0.449 1407 E N -0.260 119.700 120.200 -0.400 0.000 2.396 1407 E HA -0.224 4.126 4.350 -0.001 0.000 0.200 1407 E C 2.091 178.574 176.600 -0.194 0.000 1.023 1407 E CA 1.196 57.449 56.400 -0.245 0.000 0.857 1407 E CB -0.333 29.293 29.700 -0.125 0.000 0.775 1407 E HN 0.458 nan 8.360 nan 0.000 0.525 1408 I N 1.364 121.801 120.570 -0.222 0.000 2.277 1408 I HA -0.102 4.068 4.170 -0.001 0.000 0.243 1408 I C 2.486 178.454 176.117 -0.248 0.000 1.094 1408 I CA 0.579 61.759 61.300 -0.199 0.000 1.393 1408 I CB -0.661 37.238 38.000 -0.168 0.000 1.078 1408 I HN 0.121 nan 8.210 nan 0.000 0.417 1409 L N -0.808 120.232 121.223 -0.306 0.000 2.131 1409 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 1409 L C 2.478 179.227 176.870 -0.203 0.000 1.092 1409 L CA 1.300 55.923 54.840 -0.363 0.000 0.759 1409 L CB -0.598 41.275 42.059 -0.310 0.000 0.903 1409 L HN 0.116 nan 8.230 nan 0.000 0.435 1410 F N 0.949 120.764 119.950 -0.224 0.000 1.999 1410 F HA -0.242 4.284 4.527 -0.001 0.000 0.293 1410 F C 2.528 178.215 175.800 -0.189 0.000 1.173 1410 F CA 0.981 58.836 58.000 -0.242 0.000 1.162 1410 F CB -0.378 38.362 39.000 -0.434 0.000 0.981 1410 F HN 0.152 nan 8.300 nan 0.000 0.479 1411 E N 1.182 121.377 120.200 -0.008 0.000 2.526 1411 E HA -0.125 4.225 4.350 -0.001 0.000 0.205 1411 E C 1.323 177.859 176.600 -0.107 0.000 1.104 1411 E CA 0.617 56.978 56.400 -0.065 0.000 0.899 1411 E CB -0.310 29.309 29.700 -0.134 0.000 0.838 1411 E HN 0.378 nan 8.360 nan 0.000 0.564 1412 A N 0.938 123.669 122.820 -0.149 0.000 2.178 1412 A HA 0.237 4.557 4.320 -0.001 0.000 0.211 1412 A C 2.051 179.566 177.584 -0.115 0.000 1.157 1412 A CA 0.507 52.394 52.037 -0.250 0.000 0.780 1412 A CB 0.088 18.732 19.000 -0.594 0.000 0.828 1412 A HN 0.383 nan 8.150 nan 0.000 0.476 1413 G N -1.978 106.839 108.800 0.028 0.000 3.228 1413 G HA2 0.398 4.357 3.960 -0.001 0.000 0.245 1413 G HA3 0.398 4.357 3.960 -0.001 0.000 0.245 1413 G C 1.028 176.013 174.900 0.141 0.000 1.051 1413 G CA 0.922 46.123 45.100 0.169 0.000 0.809 1413 G HN 0.521 nan 8.290 nan 0.000 0.531 1414 A N 0.365 123.233 122.820 0.081 0.000 1.956 1414 A HA 0.320 4.639 4.320 -0.001 0.000 0.212 1414 A C 2.247 179.625 177.584 -0.343 0.000 1.188 1414 A CA 1.534 53.529 52.037 -0.070 0.000 0.675 1414 A CB -0.013 18.995 19.000 0.014 0.000 0.845 1414 A HN 0.165 nan 8.150 nan 0.000 0.455 1415 S N -0.816 114.730 115.700 -0.256 0.000 2.558 1415 S HA 0.381 4.850 4.470 -0.001 0.000 0.217 1415 S C 1.128 175.682 174.600 -0.076 0.000 0.975 1415 S CA 0.639 58.687 58.200 -0.254 0.000 0.912 1415 S CB -0.042 63.038 63.200 -0.201 0.000 0.776 1415 S HN 1.556 nan 8.310 nan 0.000 0.526 1416 A N 2.215 125.049 122.820 0.023 0.000 2.704 1416 A HA -0.232 4.088 4.320 -0.001 0.000 0.299 1416 A C 0.338 178.018 177.584 0.159 0.000 1.507 1416 A CA 0.961 53.092 52.037 0.156 0.000 0.776 1416 A CB -2.117 17.020 19.000 0.228 0.000 1.027 1416 A HN 0.753 nan 8.150 nan 0.000 0.475 1417 E N -0.497 119.770 120.200 0.113 0.000 2.376 1417 E HA 0.447 4.796 4.350 -0.001 0.000 0.266 1417 E C 0.175 176.893 176.600 0.196 0.000 1.009 1417 E CA -0.686 55.776 56.400 0.104 0.000 0.902 1417 E CB 0.728 30.448 29.700 0.033 0.000 0.972 1417 E HN 0.595 nan 8.360 nan 0.000 0.439 1418 L N 2.476 123.787 121.223 0.147 0.000 2.472 1418 L HA 0.186 4.525 4.340 -0.001 0.000 0.260 1418 L C -0.140 176.818 176.870 0.147 0.000 1.209 1418 L CA 0.445 55.372 54.840 0.145 0.000 0.817 1418 L CB 0.931 43.049 42.059 0.098 0.000 1.106 1418 L HN 0.677 nan 8.230 nan 0.000 0.479 1419 D N 0.735 121.209 120.400 0.123 0.000 2.629 1419 D HA 0.131 4.771 4.640 -0.001 0.000 0.250 1419 D C -0.090 176.250 176.300 0.067 0.000 1.126 1419 D CA -0.362 53.705 54.000 0.113 0.000 0.852 1419 D CB 1.646 42.545 40.800 0.165 0.000 1.335 1419 D HN 0.538 nan 8.370 nan 0.000 0.518 1420 D N 1.480 121.917 120.400 0.061 0.000 2.117 1420 D HA -0.112 4.528 4.640 -0.001 0.000 0.197 1420 D C 0.876 177.199 176.300 0.039 0.000 0.987 1420 D CA 0.853 54.882 54.000 0.047 0.000 0.829 1420 D CB -0.019 40.808 40.800 0.046 0.000 0.961 1420 D HN 0.584 nan 8.370 nan 0.000 0.460 1421 C N -0.126 119.200 119.300 0.043 0.000 4.454 1421 C HA -0.169 4.290 4.460 -0.001 0.000 0.301 1421 C C 1.407 176.414 174.990 0.029 0.000 1.366 1421 C CA 0.098 59.136 59.018 0.034 0.000 2.016 1421 C CB -2.732 25.020 27.740 0.021 0.000 1.253 1421 C HN 0.423 nan 8.230 nan 0.000 0.770 1422 R N -0.102 120.419 120.500 0.035 0.000 2.435 1422 R HA 0.266 4.605 4.340 -0.001 0.000 0.221 1422 R C 1.430 177.751 176.300 0.036 0.000 0.885 1422 R CA 0.571 56.691 56.100 0.034 0.000 1.018 1422 R CB 0.260 30.587 30.300 0.044 0.000 1.259 1422 R HN 0.562 nan 8.270 nan 0.000 0.597 1423 G N 0.571 109.395 108.800 0.039 0.000 2.684 1423 G HA2 0.209 4.169 3.960 -0.001 0.000 0.255 1423 G HA3 0.209 4.169 3.960 -0.001 0.000 0.255 1423 G C 1.105 176.022 174.900 0.029 0.000 1.219 1423 G CA -0.574 44.549 45.100 0.037 0.000 0.901 1423 G HN -0.129 nan 8.290 nan 0.000 0.548 1424 V N 1.169 121.098 119.914 0.025 0.000 2.245 1424 V HA -0.221 3.898 4.120 -0.001 0.000 0.233 1424 V C 3.181 179.290 176.094 0.024 0.000 1.028 1424 V CA 2.690 65.001 62.300 0.018 0.000 0.991 1424 V CB -1.266 30.567 31.823 0.016 0.000 0.640 1424 V HN 0.940 nan 8.190 nan 0.000 0.461 1425 S N 0.652 116.371 115.700 0.033 0.000 2.422 1425 S HA -0.366 4.103 4.470 -0.001 0.000 0.241 1425 S C 1.642 176.266 174.600 0.039 0.000 1.076 1425 S CA 2.133 60.356 58.200 0.039 0.000 1.066 1425 S CB -0.991 62.241 63.200 0.054 0.000 0.890 1425 S HN 0.765 nan 8.310 nan 0.000 0.465 1426 E N 2.371 122.597 120.200 0.042 0.000 2.035 1426 E HA -0.212 4.137 4.350 -0.001 0.000 0.204 1426 E C 1.691 178.309 176.600 0.030 0.000 1.025 1426 E CA 1.423 57.849 56.400 0.043 0.000 0.835 1426 E CB -0.654 29.073 29.700 0.044 0.000 0.764 1426 E HN 0.583 nan 8.360 nan 0.000 0.457 1427 N N 0.727 119.439 118.700 0.020 0.000 2.520 1427 N HA -0.063 4.676 4.740 -0.001 0.000 0.185 1427 N C 1.866 177.381 175.510 0.009 0.000 1.068 1427 N CA 0.345 53.401 53.050 0.010 0.000 0.911 1427 N CB 0.127 38.614 38.487 0.002 0.000 0.961 1427 N HN 0.006 nan 8.380 nan 0.000 0.446 1428 V N 1.427 121.350 119.914 0.014 0.000 2.379 1428 V HA -0.099 4.021 4.120 -0.001 0.000 0.245 1428 V C 2.152 178.256 176.094 0.016 0.000 1.044 1428 V CA 1.031 63.339 62.300 0.013 0.000 1.036 1428 V CB -0.132 31.701 31.823 0.017 0.000 0.664 1428 V HN 0.196 nan 8.190 nan 0.000 0.453 1429 I N -0.474 120.110 120.570 0.024 0.000 2.439 1429 I HA -0.177 3.993 4.170 -0.001 0.000 0.251 1429 I C 1.904 178.034 176.117 0.021 0.000 1.139 1429 I CA 1.421 62.737 61.300 0.027 0.000 1.438 1429 I CB -0.183 37.841 38.000 0.039 0.000 1.085 1429 I HN 0.250 nan 8.210 nan 0.000 0.427 1430 L N 0.443 121.676 121.223 0.017 0.000 2.558 1430 L HA 0.245 4.585 4.340 -0.001 0.000 0.225 1430 L C 1.539 178.414 176.870 0.008 0.000 1.128 1430 L CA 0.461 55.307 54.840 0.011 0.000 0.868 1430 L CB -0.297 41.766 42.059 0.007 0.000 1.006 1430 L HN 0.439 nan 8.230 nan 0.000 0.454 1431 G N -0.005 108.799 108.800 0.007 0.000 2.153 1431 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.252 1431 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.252 1431 G C 0.152 175.052 174.900 -0.000 0.000 0.994 1431 G CA -0.004 45.098 45.100 0.004 0.000 0.698 1431 G HN 0.354 nan 8.290 nan 0.000 0.521 1432 Q N -0.853 118.945 119.800 -0.002 0.000 2.317 1432 Q HA 0.652 4.991 4.340 -0.001 0.000 0.229 1432 Q C 0.936 176.927 176.000 -0.014 0.000 0.984 1432 Q CA -0.456 55.343 55.803 -0.008 0.000 0.911 1432 Q CB 0.670 29.403 28.738 -0.007 0.000 1.217 1432 Q HN 0.399 nan 8.270 nan 0.000 0.501 1433 M N 2.218 121.804 119.600 -0.023 0.000 2.383 1433 M HA 0.317 4.796 4.480 -0.001 0.000 0.337 1433 M C -0.840 175.433 176.300 -0.044 0.000 1.422 1433 M CA -0.406 54.872 55.300 -0.036 0.000 1.333 1433 M CB -0.181 32.392 32.600 -0.045 0.000 1.488 1433 M HN 0.703 nan 8.290 nan 0.000 0.454 1434 A N 6.787 129.585 122.820 -0.037 0.000 2.498 1434 A HA 0.336 4.656 4.320 -0.001 0.000 0.239 1434 A C -2.290 175.260 177.584 -0.057 0.000 1.068 1434 A CA -1.051 50.965 52.037 -0.035 0.000 0.766 1434 A CB -0.610 18.377 19.000 -0.022 0.000 1.003 1434 A HN 0.645 nan 8.150 nan 0.000 0.497 1435 P HA 0.270 nan 4.420 nan 0.000 0.244 1435 P C -1.087 176.169 177.300 -0.074 0.000 1.723 1435 P CA 0.675 63.731 63.100 -0.073 0.000 1.110 1435 P CB -0.476 31.195 31.700 -0.047 0.000 1.972 1436 I N 0.415 120.929 120.570 -0.094 0.000 2.569 1436 I HA 0.386 4.555 4.170 -0.001 0.000 0.290 1436 I C 1.416 177.471 176.117 -0.103 0.000 1.088 1436 I CA -0.217 61.037 61.300 -0.078 0.000 1.047 1436 I CB 1.665 39.633 38.000 -0.053 0.000 1.237 1436 I HN 0.325 nan 8.210 nan 0.000 0.421 1437 G N 3.813 112.567 108.800 -0.076 0.000 3.344 1437 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.370 1437 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.370 1437 G C 1.228 176.057 174.900 -0.117 0.000 1.646 1437 G CA 1.738 46.810 45.100 -0.047 0.000 1.686 1437 G HN 0.532 nan 8.290 nan 0.000 0.823 1438 T N 1.213 115.679 114.554 -0.147 0.000 2.635 1438 T HA 0.016 4.366 4.350 -0.001 0.000 0.267 1438 T C 2.252 176.630 174.700 -0.536 0.000 1.040 1438 T CA 2.515 64.466 62.100 -0.249 0.000 1.156 1438 T CB -0.774 68.015 68.868 -0.133 0.000 0.863 1438 T HN 1.093 nan 8.240 nan 0.000 0.430 1439 G N 0.018 108.604 108.800 -0.357 0.000 3.181 1439 G HA2 0.334 4.293 3.960 -0.001 0.000 0.219 1439 G HA3 0.334 4.293 3.960 -0.001 0.000 0.219 1439 G C 1.439 176.136 174.900 -0.338 0.000 1.182 1439 G CA 0.586 45.481 45.100 -0.341 0.000 0.791 1439 G HN 0.537 nan 8.290 nan 0.000 0.537 1440 A N 0.299 122.880 122.820 -0.398 0.000 2.067 1440 A HA 0.381 4.701 4.320 -0.001 0.000 0.219 1440 A C 0.760 178.354 177.584 0.018 0.000 1.158 1440 A CA 0.662 52.628 52.037 -0.118 0.000 0.661 1440 A CB -0.348 18.704 19.000 0.086 0.000 0.801 1440 A HN 0.561 nan 8.150 nan 0.000 0.452 1441 F N -3.265 116.717 119.950 0.054 0.000 2.664 1441 F HA 0.798 5.324 4.527 -0.001 0.000 0.329 1441 F C -1.121 174.673 175.800 -0.011 0.000 1.090 1441 F CA -2.170 55.832 58.000 0.003 0.000 0.978 1441 F CB 0.651 39.642 39.000 -0.014 0.000 1.378 1441 F HN -0.245 nan 8.300 nan 0.000 0.495 1442 D N 0.913 121.457 120.400 0.240 0.000 2.350 1442 D HA 0.551 5.191 4.640 -0.001 0.000 0.245 1442 D C -0.860 175.539 176.300 0.164 0.000 1.036 1442 D CA -0.214 53.864 54.000 0.131 0.000 0.848 1442 D CB 2.483 43.318 40.800 0.059 0.000 1.307 1442 D HN 0.608 nan 8.370 nan 0.000 0.469 1443 V N 0.711 120.699 119.914 0.124 0.000 2.612 1443 V HA 0.866 4.985 4.120 -0.001 0.000 0.301 1443 V C 0.286 176.412 176.094 0.053 0.000 1.046 1443 V CA -0.653 61.708 62.300 0.102 0.000 0.946 1443 V CB 1.476 33.364 31.823 0.108 0.000 1.003 1443 V HN 0.742 nan 8.190 nan 0.000 0.459 1444 M N 3.826 123.448 119.600 0.037 0.000 2.531 1444 M HA 0.405 4.884 4.480 -0.001 0.000 0.523 1444 M C -2.058 174.250 176.300 0.014 0.000 2.054 1444 M CA -0.173 55.141 55.300 0.023 0.000 0.731 1444 M CB 1.202 33.814 32.600 0.019 0.000 3.836 1444 M HN 0.883 nan 8.290 nan 0.000 0.507 1445 I N 0.747 121.322 120.570 0.009 0.000 2.864 1445 I HA 0.476 4.646 4.170 -0.001 0.000 0.328 1445 I C -0.743 175.378 176.117 0.006 0.000 1.436 1445 I CA -0.512 60.794 61.300 0.010 0.000 0.821 1445 I CB 0.306 38.313 38.000 0.012 0.000 2.121 1445 I HN 0.553 nan 8.210 nan 0.000 0.582 1446 D N 0.649 121.051 120.400 0.004 0.000 2.564 1446 D HA 0.669 5.308 4.640 -0.001 0.000 0.273 1446 D C -0.528 175.772 176.300 0.001 0.000 1.192 1446 D CA -0.434 53.566 54.000 0.001 0.000 1.080 1446 D CB 1.176 41.974 40.800 -0.003 0.000 1.160 1446 D HN 0.397 nan 8.370 nan 0.000 0.607 1447 E N -1.878 118.322 120.200 -0.000 0.000 2.388 1447 E HA 0.353 4.702 4.350 -0.001 0.000 0.289 1447 E C -0.875 175.725 176.600 -0.001 0.000 0.944 1447 E CA -0.410 55.990 56.400 0.000 0.000 0.792 1447 E CB 2.185 31.885 29.700 0.001 0.000 1.239 1447 E HN 0.662 nan 8.360 nan 0.000 0.412 1448 E N 0.786 120.985 120.200 -0.001 0.000 3.609 1448 E HA -0.234 4.116 4.350 -0.001 0.000 0.133 1448 E C 0.603 177.202 176.600 -0.000 0.000 0.731 1448 E CA 1.503 57.902 56.400 -0.001 0.000 2.973 1448 E CB -1.824 27.875 29.700 -0.001 0.000 1.282 1448 E HN 0.361 nan 8.360 nan 0.000 0.735 1449 S N 1.250 116.950 115.700 0.000 0.000 2.481 1449 S HA 0.252 4.721 4.470 -0.001 0.000 0.231 1449 S C 1.017 175.618 174.600 0.001 0.000 0.996 1449 S CA 0.703 58.903 58.200 0.001 0.000 0.942 1449 S CB -0.249 62.952 63.200 0.002 0.000 0.768 1449 S HN 0.296 nan 8.310 nan 0.000 0.520 1450 L N 0.000 121.223 121.223 0.000 0.000 2.949 1450 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 1450 L CA 0.000 54.840 54.840 0.000 0.000 0.813 1450 L CB 0.000 42.059 42.059 0.000 0.000 0.961 1450 L HN 0.000 nan 8.230 nan 0.000 0.502