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 3gtl_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 GEPATQMTLX XXXXXXXXXK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VXXXXXXXXX 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 VMI 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 3.962 3.960 0.003 0.000 0.244 3 G C 0.000 174.891 174.900 -0.015 0.000 0.946 3 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 4 Q N -0.494 119.299 119.800 -0.012 0.000 3.106 4 Q HA 0.703 5.045 4.340 0.003 0.000 0.219 4 Q C -0.442 175.563 176.000 0.008 0.000 1.139 4 Q CA -0.501 55.302 55.803 -0.001 0.000 0.458 4 Q CB 0.809 29.548 28.738 0.001 0.000 5.120 4 Q HN 0.297 nan 8.270 nan 0.000 0.295 5 Q N -0.910 118.904 119.800 0.023 0.000 2.873 5 Q HA 0.380 4.722 4.340 0.003 0.000 0.297 5 Q C -1.632 174.418 176.000 0.084 0.000 1.064 5 Q CA -0.758 55.079 55.803 0.056 0.000 0.816 5 Q CB 1.442 30.220 28.738 0.066 0.000 1.481 5 Q HN 0.403 nan 8.270 nan 0.000 0.488 6 Y N 0.620 120.919 120.300 -0.002 0.000 2.402 6 Y HA 0.239 4.790 4.550 0.002 0.000 0.333 6 Y C -0.461 175.440 175.900 0.001 0.000 1.076 6 Y CA 0.064 58.164 58.100 0.000 0.000 1.299 6 Y CB 0.900 39.360 38.460 0.000 0.000 1.197 6 Y HN 0.383 nan 8.280 nan 0.000 0.517 7 S N 3.078 118.960 115.700 0.304 0.000 2.473 7 S HA 0.184 4.655 4.470 0.003 0.000 0.307 7 S C 0.514 175.267 174.600 0.255 0.000 1.094 7 S CA -0.431 57.896 58.200 0.212 0.000 1.070 7 S CB 0.959 64.213 63.200 0.091 0.000 1.019 7 S HN 0.824 nan 8.310 nan 0.000 0.480 8 S N 3.298 119.103 115.700 0.175 0.000 2.603 8 S HA 0.242 4.713 4.470 0.003 0.000 0.229 8 S C 0.745 175.400 174.600 0.093 0.000 0.972 8 S CA 0.085 58.364 58.200 0.131 0.000 0.935 8 S CB -0.351 62.881 63.200 0.053 0.000 0.769 8 S HN 0.923 nan 8.310 nan 0.000 0.536 9 A N 2.579 125.446 122.820 0.078 0.000 2.306 9 A HA 0.713 5.035 4.320 0.003 0.000 0.314 9 A C -2.545 175.065 177.584 0.042 0.000 1.164 9 A CA -1.789 50.278 52.037 0.050 0.000 0.822 9 A CB 0.112 19.134 19.000 0.036 0.000 1.130 9 A HN 0.263 nan 8.150 nan 0.000 0.496 10 P HA 0.408 nan 4.420 nan 0.000 0.282 10 P C -0.657 176.646 177.300 0.005 0.000 1.249 10 P CA -0.572 62.537 63.100 0.016 0.000 0.806 10 P CB 0.675 32.385 31.700 0.017 0.000 0.984 11 L N 3.359 124.578 121.223 -0.007 0.000 2.367 11 L HA 0.400 4.742 4.340 0.003 0.000 0.275 11 L C -0.108 176.758 176.870 -0.007 0.000 1.129 11 L CA 0.581 55.414 54.840 -0.011 0.000 0.839 11 L CB -0.084 41.961 42.059 -0.023 0.000 1.133 11 L HN 0.323 nan 8.230 nan 0.000 0.453 12 R N 2.483 122.980 120.500 -0.005 0.000 2.808 12 R HA 0.591 4.932 4.340 0.003 0.000 0.272 12 R C -0.234 176.063 176.300 -0.006 0.000 0.995 12 R CA -0.668 55.429 56.100 -0.004 0.000 0.917 12 R CB 1.936 32.235 30.300 -0.001 0.000 1.217 12 R HN 0.771 nan 8.270 nan 0.000 0.471 13 T N 0.010 114.561 114.554 -0.006 0.000 2.773 13 T HA 0.218 4.569 4.350 0.003 0.000 0.337 13 T C -0.148 174.547 174.700 -0.008 0.000 1.086 13 T CA -0.418 61.678 62.100 -0.007 0.000 0.998 13 T CB 0.504 69.368 68.868 -0.007 0.000 1.281 13 T HN 0.085 nan 8.240 nan 0.000 0.525 14 V N 1.221 121.129 119.914 -0.009 0.000 2.555 14 V HA 0.394 4.516 4.120 0.003 0.000 0.302 14 V C 0.264 176.352 176.094 -0.011 0.000 1.038 14 V CA -0.531 61.761 62.300 -0.012 0.000 0.887 14 V CB 1.913 33.726 31.823 -0.017 0.000 0.991 14 V HN 0.706 nan 8.190 nan 0.000 0.434 15 K N 1.973 122.366 120.400 -0.012 0.000 2.412 15 K HA 0.374 4.696 4.320 0.003 0.000 0.201 15 K C 0.267 176.860 176.600 -0.011 0.000 1.275 15 K CA 0.248 56.531 56.287 -0.008 0.000 0.910 15 K CB 0.704 33.202 32.500 -0.004 0.000 1.346 15 K HN 0.621 nan 8.250 nan 0.000 0.490 16 E N 1.150 121.338 120.200 -0.020 0.000 2.202 16 E HA 0.404 4.755 4.350 0.003 0.000 0.272 16 E C -1.106 175.459 176.600 -0.059 0.000 0.951 16 E CA -0.622 55.760 56.400 -0.030 0.000 0.813 16 E CB 2.591 32.275 29.700 -0.028 0.000 1.151 16 E HN -0.255 nan 8.360 nan 0.000 0.398 17 V N 3.221 123.085 119.914 -0.083 0.000 2.443 17 V HA 0.151 4.273 4.120 0.003 0.000 0.293 17 V C -0.650 175.292 176.094 -0.252 0.000 1.021 17 V CA -0.727 61.452 62.300 -0.201 0.000 0.848 17 V CB 1.597 33.275 31.823 -0.242 0.000 0.998 17 V HN 0.549 nan 8.190 nan 0.000 0.424 18 Q N 4.248 123.898 119.800 -0.250 0.000 2.431 18 Q HA 0.468 4.810 4.340 0.003 0.000 0.249 18 Q C -1.016 174.894 176.000 -0.149 0.000 1.025 18 Q CA -0.308 55.429 55.803 -0.108 0.000 0.835 18 Q CB 1.103 29.892 28.738 0.085 0.000 1.207 18 Q HN 0.586 nan 8.270 nan 0.000 0.490 19 F N 0.772 120.756 119.950 0.056 0.000 2.399 19 F HA 0.597 5.126 4.527 0.002 0.000 0.342 19 F C 1.319 177.164 175.800 0.076 0.000 1.106 19 F CA 0.416 58.445 58.000 0.048 0.000 1.196 19 F CB 1.379 40.395 39.000 0.027 0.000 1.163 19 F HN 0.533 nan 8.300 nan 0.000 0.547 20 G N 2.276 111.210 108.800 0.223 0.000 2.871 20 G HA2 0.741 4.703 3.960 0.003 0.000 0.282 20 G HA3 0.741 4.703 3.960 0.003 0.000 0.282 20 G C -1.742 173.193 174.900 0.057 0.000 1.212 20 G CA -0.749 44.432 45.100 0.136 0.000 0.812 20 G HN 0.500 nan 8.290 nan 0.000 0.547 21 L N -0.878 120.332 121.223 -0.023 0.000 2.479 21 L HA 0.523 4.864 4.340 0.003 0.000 0.255 21 L C -1.398 175.317 176.870 -0.259 0.000 1.026 21 L CA -0.743 54.100 54.840 0.006 0.000 0.842 21 L CB 2.946 45.122 42.059 0.195 0.000 1.444 21 L HN 0.447 nan 8.230 nan 0.000 0.409 22 F N 1.095 120.979 119.950 -0.111 0.000 2.368 22 F HA 0.183 4.711 4.527 0.002 0.000 0.362 22 F C 0.844 176.305 175.800 -0.564 0.000 1.137 22 F CA -0.277 57.546 58.000 -0.294 0.000 1.161 22 F CB 1.352 40.258 39.000 -0.157 0.000 1.265 22 F HN 0.338 nan 8.300 nan 0.000 0.530 23 S N 5.978 121.094 115.700 -0.974 0.000 2.516 23 S HA 0.138 4.610 4.470 0.003 0.000 0.282 23 S C -1.397 172.938 174.600 -0.441 0.000 1.286 23 S CA -1.228 56.177 58.200 -1.325 0.000 1.066 23 S CB 1.042 63.288 63.200 -1.590 0.000 0.884 23 S HN 0.390 nan 8.310 nan 0.000 0.491 24 P HA -0.209 nan 4.420 nan 0.000 0.217 24 P C 1.163 178.410 177.300 -0.088 0.000 1.148 24 P CA 1.456 64.511 63.100 -0.074 0.000 0.834 24 P CB 0.105 31.813 31.700 0.013 0.000 0.783 25 E N -0.312 119.820 120.200 -0.113 0.000 2.077 25 E HA -0.198 4.153 4.350 0.003 0.000 0.193 25 E C 2.183 178.713 176.600 -0.117 0.000 0.989 25 E CA 0.965 57.315 56.400 -0.084 0.000 0.800 25 E CB -0.126 29.549 29.700 -0.042 0.000 0.746 25 E HN 0.316 nan 8.360 nan 0.000 0.452 26 E N -0.387 119.711 120.200 -0.171 0.000 2.016 26 E HA -0.156 4.196 4.350 0.003 0.000 0.190 26 E C 2.185 178.735 176.600 -0.083 0.000 0.985 26 E CA 1.168 57.489 56.400 -0.131 0.000 0.802 26 E CB 0.124 29.725 29.700 -0.165 0.000 0.762 26 E HN 0.092 nan 8.360 nan 0.000 0.448 27 V N 1.414 121.295 119.914 -0.055 0.000 2.277 27 V HA -0.343 3.779 4.120 0.003 0.000 0.253 27 V C 2.353 178.360 176.094 -0.146 0.000 1.067 27 V CA 2.093 64.347 62.300 -0.076 0.000 1.047 27 V CB -0.586 31.188 31.823 -0.083 0.000 0.649 27 V HN 0.251 nan 8.190 nan 0.000 0.447 28 R N -0.368 120.020 120.500 -0.188 0.000 2.115 28 R HA -0.049 4.293 4.340 0.003 0.000 0.230 28 R C 2.197 178.273 176.300 -0.373 0.000 1.111 28 R CA 1.408 57.274 56.100 -0.390 0.000 0.976 28 R CB -0.352 29.823 30.300 -0.209 0.000 0.870 28 R HN 0.570 nan 8.270 nan 0.000 0.445 29 A N 0.236 122.938 122.820 -0.197 0.000 2.147 29 A HA 0.072 4.393 4.320 0.003 0.000 0.211 29 A C 1.877 179.404 177.584 -0.095 0.000 1.160 29 A CA 0.011 51.967 52.037 -0.134 0.000 0.781 29 A CB -0.059 18.886 19.000 -0.091 0.000 0.842 29 A HN 0.240 nan 8.150 nan 0.000 0.475 30 I N 0.334 120.854 120.570 -0.084 0.000 2.353 30 I HA -0.109 4.063 4.170 0.003 0.000 0.248 30 I C 1.550 177.681 176.117 0.023 0.000 1.119 30 I CA 1.275 62.562 61.300 -0.022 0.000 1.417 30 I CB 0.047 38.046 38.000 -0.001 0.000 1.078 30 I HN 0.475 nan 8.210 nan 0.000 0.421 31 S N -0.738 114.976 115.700 0.022 0.000 2.718 31 S HA 0.324 4.795 4.470 0.003 0.000 0.292 31 S C 0.477 175.136 174.600 0.099 0.000 1.125 31 S CA -0.046 58.225 58.200 0.120 0.000 1.013 31 S CB 1.583 64.907 63.200 0.207 0.000 1.192 31 S HN 0.110 nan 8.310 nan 0.000 0.535 32 V N -3.207 116.797 119.914 0.150 0.000 3.432 32 V HA 0.660 4.782 4.120 0.003 0.000 0.298 32 V C 0.672 176.851 176.094 0.141 0.000 1.464 32 V CA 0.057 62.428 62.300 0.118 0.000 1.046 32 V CB -0.828 31.062 31.823 0.112 0.000 0.887 32 V HN 0.983 nan 8.190 nan 0.000 0.441 33 A N 0.950 123.888 122.820 0.197 0.000 2.298 33 A HA 0.866 5.188 4.320 0.003 0.000 0.302 33 A C 0.783 178.448 177.584 0.136 0.000 1.177 33 A CA 0.007 52.131 52.037 0.146 0.000 0.912 33 A CB 1.553 20.612 19.000 0.099 0.000 1.331 33 A HN 0.306 nan 8.150 nan 0.000 0.504 34 K N -1.380 119.012 120.400 -0.013 0.000 2.864 34 K HA 0.275 4.597 4.320 0.003 0.000 0.192 34 K C -0.668 175.830 176.600 -0.170 0.000 1.576 34 K CA 0.179 56.415 56.287 -0.086 0.000 1.283 34 K CB 0.383 32.894 32.500 0.017 0.000 1.778 34 K HN 0.446 nan 8.250 nan 0.000 0.611 35 I N 3.010 123.534 120.570 -0.077 0.000 7.154 35 I HA -0.329 3.843 4.170 0.003 0.000 0.126 35 I C 0.412 176.483 176.117 -0.076 0.000 1.808 35 I CA 0.741 62.004 61.300 -0.062 0.000 2.123 35 I CB -1.708 36.228 38.000 -0.106 0.000 3.552 35 I HN 0.378 nan 8.210 nan 0.000 0.195 36 R N 0.825 121.308 120.500 -0.028 0.000 2.127 36 R HA 0.152 4.494 4.340 0.003 0.000 0.217 36 R C 0.306 176.381 176.300 -0.375 0.000 1.074 36 R CA 1.135 57.108 56.100 -0.211 0.000 0.991 36 R CB 0.244 30.394 30.300 -0.250 0.000 0.895 36 R HN 0.277 nan 8.270 nan 0.000 0.450 37 F N 0.581 120.508 119.950 -0.039 0.000 2.495 37 F HA 0.317 4.845 4.527 0.003 0.000 0.327 37 F C -1.682 174.100 175.800 -0.030 0.000 1.103 37 F CA -2.863 55.119 58.000 -0.030 0.000 0.949 37 F CB 1.717 40.703 39.000 -0.024 0.000 1.142 37 F HN -0.181 nan 8.300 nan 0.000 0.457 38 P HA 0.174 nan 4.420 nan 0.000 0.259 38 P C 0.056 177.400 177.300 0.073 0.000 1.530 38 P CA 0.253 63.394 63.100 0.068 0.000 1.022 38 P CB 0.496 32.212 31.700 0.026 0.000 1.514 39 E N 0.346 120.608 120.200 0.103 0.000 3.753 39 E HA 0.249 4.601 4.350 0.003 0.000 0.554 39 E C 1.061 177.686 176.600 0.042 0.000 0.301 39 E CA 0.898 57.334 56.400 0.059 0.000 3.317 39 E CB -0.069 29.657 29.700 0.043 0.000 2.350 39 E HN -0.053 nan 8.360 nan 0.000 0.382 40 T N -2.167 112.398 114.554 0.019 0.000 3.560 40 T HA 0.248 4.600 4.350 0.003 0.000 0.217 40 T C 0.655 175.347 174.700 -0.014 0.000 0.934 40 T CA -0.026 62.081 62.100 0.011 0.000 1.074 40 T CB 0.199 69.080 68.868 0.021 0.000 1.156 40 T HN 0.108 nan 8.240 nan 0.000 0.342 41 M N 0.467 120.053 119.600 -0.023 0.000 2.762 41 M HA 0.401 4.883 4.480 0.003 0.000 0.172 41 M C -1.225 175.045 176.300 -0.050 0.000 2.103 41 M CA -0.168 55.109 55.300 -0.040 0.000 1.467 41 M CB -0.010 32.571 32.600 -0.033 0.000 1.303 41 M HN -0.068 nan 8.290 nan 0.000 0.656 42 D N 3.873 124.250 120.400 -0.039 0.000 6.826 42 D HA -0.089 4.553 4.640 0.003 0.000 0.196 42 D C -0.479 175.790 176.300 -0.051 0.000 1.416 42 D CA 0.632 54.609 54.000 -0.039 0.000 0.858 42 D CB -0.433 40.352 40.800 -0.025 0.000 1.523 42 D HN 0.323 nan 8.370 nan 0.000 0.885 43 E N 0.905 121.065 120.200 -0.067 0.000 1.865 43 E HA 0.183 4.534 4.350 0.003 0.000 0.269 43 E C -0.156 176.412 176.600 -0.053 0.000 1.177 43 E CA -0.591 55.761 56.400 -0.080 0.000 0.932 43 E CB -0.387 29.247 29.700 -0.110 0.000 1.066 43 E HN 0.331 nan 8.360 nan 0.000 0.405 44 T N 1.475 116.005 114.554 -0.040 0.000 3.704 44 T HA -0.326 4.026 4.350 0.003 0.000 0.388 44 T C 0.464 175.150 174.700 -0.023 0.000 0.763 44 T CA 1.052 63.136 62.100 -0.026 0.000 2.005 44 T CB -2.192 66.663 68.868 -0.022 0.000 1.752 44 T HN 0.877 nan 8.240 nan 0.000 0.747 45 Q N -2.671 117.116 119.800 -0.022 0.000 2.371 45 Q HA -0.161 4.180 4.340 0.003 0.000 0.169 45 Q C -0.037 175.950 176.000 -0.021 0.000 0.577 45 Q CA 1.521 57.314 55.803 -0.018 0.000 1.340 45 Q CB -2.080 26.650 28.738 -0.013 0.000 1.201 45 Q HN 0.913 nan 8.270 nan 0.000 0.984 46 T N 1.362 115.899 114.554 -0.028 0.000 2.743 46 T HA 0.251 4.603 4.350 0.003 0.000 0.290 46 T C 0.416 175.097 174.700 -0.031 0.000 0.908 46 T CA -0.120 61.962 62.100 -0.030 0.000 1.092 46 T CB 0.480 69.326 68.868 -0.036 0.000 0.882 46 T HN 0.119 nan 8.240 nan 0.000 0.531 47 R N 2.303 122.788 120.500 -0.026 0.000 4.054 47 R HA 0.298 4.639 4.340 0.003 0.000 0.227 47 R C 1.310 177.593 176.300 -0.028 0.000 1.902 47 R CA -0.261 55.824 56.100 -0.026 0.000 1.590 47 R CB -0.624 29.662 30.300 -0.022 0.000 1.245 47 R HN 0.764 nan 8.270 nan 0.000 0.647 48 A N 0.694 123.495 122.820 -0.032 0.000 3.894 48 A HA 0.118 4.439 4.320 0.003 0.000 0.155 48 A C 0.958 178.521 177.584 -0.035 0.000 1.539 48 A CA 0.700 52.718 52.037 -0.033 0.000 1.073 48 A CB 0.302 19.280 19.000 -0.036 0.000 1.250 48 A HN 0.334 nan 8.150 nan 0.000 0.538 49 K N -1.702 118.674 120.400 -0.040 0.000 2.711 49 K HA 0.297 4.619 4.320 0.003 0.000 0.197 49 K C 0.001 176.570 176.600 -0.052 0.000 1.535 49 K CA 0.558 56.821 56.287 -0.040 0.000 1.170 49 K CB 0.134 32.615 32.500 -0.031 0.000 1.596 49 K HN 1.163 nan 8.250 nan 0.000 0.584 50 I N -1.083 119.448 120.570 -0.065 0.000 9.171 50 I HA -0.225 3.946 4.170 0.003 0.000 0.126 50 I C 0.127 176.201 176.117 -0.071 0.000 1.867 50 I CA 0.631 61.871 61.300 -0.100 0.000 2.042 50 I CB -0.577 37.321 38.000 -0.170 0.000 3.965 50 I HN 0.147 nan 8.210 nan 0.000 0.171 51 G N 3.156 111.910 108.800 -0.078 0.000 3.474 51 G HA2 0.566 4.528 3.960 0.003 0.000 0.269 51 G HA3 0.566 4.528 3.960 0.003 0.000 0.269 51 G C 0.671 175.627 174.900 0.094 0.000 1.339 51 G CA 0.331 45.434 45.100 0.005 0.000 1.258 51 G HN 1.325 nan 8.290 nan 0.000 0.560 52 G N 0.025 108.871 108.800 0.076 0.000 2.651 52 G HA2 0.312 4.273 3.960 0.003 0.000 0.226 52 G HA3 0.312 4.273 3.960 0.003 0.000 0.226 52 G C 0.848 175.816 174.900 0.114 0.000 1.542 52 G CA -0.123 45.109 45.100 0.221 0.000 0.868 52 G HN 0.317 nan 8.290 nan 0.000 0.588 53 L N 0.758 122.020 121.223 0.065 0.000 2.718 53 L HA 0.227 4.568 4.340 0.003 0.000 0.147 53 L C 0.370 177.242 176.870 0.003 0.000 1.748 53 L CA -0.608 54.247 54.840 0.026 0.000 2.748 53 L CB -0.032 42.041 42.059 0.023 0.000 2.984 53 L HN 0.353 nan 8.230 nan 0.000 0.700 54 N N 0.894 119.586 118.700 -0.014 0.000 2.416 54 N HA -0.088 4.654 4.740 0.003 0.000 0.291 54 N C -0.736 174.756 175.510 -0.030 0.000 1.257 54 N CA 0.611 53.642 53.050 -0.033 0.000 1.043 54 N CB 0.780 39.237 38.487 -0.050 0.000 1.441 54 N HN 0.609 nan 8.380 nan 0.000 0.490 55 D N -0.220 120.168 120.400 -0.020 0.000 1.779 55 D HA -0.026 4.615 4.640 0.003 0.000 0.814 55 D C -2.454 173.852 176.300 0.010 0.000 0.417 55 D CA -0.153 53.838 54.000 -0.014 0.000 1.336 55 D CB -0.739 40.050 40.800 -0.019 0.000 1.059 55 D HN 0.261 nan 8.370 nan 0.000 0.370 56 P HA 0.003 nan 4.420 nan 0.000 0.197 56 P C -0.275 177.056 177.300 0.053 0.000 1.121 56 P CA 1.072 64.191 63.100 0.032 0.000 1.318 56 P CB -0.333 31.390 31.700 0.038 0.000 1.634 57 R N -2.097 118.439 120.500 0.060 0.000 3.405 57 R HA -0.157 4.185 4.340 0.003 0.000 0.458 57 R C 0.880 177.287 176.300 0.178 0.000 0.589 57 R CA 0.543 56.702 56.100 0.099 0.000 1.480 57 R CB -1.755 28.597 30.300 0.087 0.000 2.107 57 R HN 0.320 nan 8.270 nan 0.000 0.379 58 L N 0.605 121.885 121.223 0.096 0.000 2.470 58 L HA 0.333 4.675 4.340 0.003 0.000 0.243 58 L C 1.352 178.182 176.870 -0.066 0.000 1.227 58 L CA 0.502 55.338 54.840 -0.006 0.000 0.824 58 L CB 0.205 42.232 42.059 -0.053 0.000 1.175 58 L HN 0.217 nan 8.230 nan 0.000 0.503 59 G N -0.266 108.420 108.800 -0.190 0.000 2.503 59 G HA2 0.404 4.366 3.960 0.003 0.000 0.257 59 G HA3 0.404 4.366 3.960 0.003 0.000 0.257 59 G C -0.301 174.546 174.900 -0.089 0.000 1.214 59 G CA -0.209 44.800 45.100 -0.150 0.000 0.839 59 G HN 0.661 nan 8.290 nan 0.000 0.559 60 S N 0.130 115.793 115.700 -0.062 0.000 2.677 60 S HA 0.618 5.089 4.470 0.003 0.000 0.290 60 S C 0.744 175.313 174.600 -0.052 0.000 1.124 60 S CA -0.717 57.455 58.200 -0.047 0.000 1.017 60 S CB 1.482 64.664 63.200 -0.030 0.000 1.215 60 S HN 0.417 nan 8.310 nan 0.000 0.524 61 I N -0.998 119.546 120.570 -0.044 0.000 4.317 61 I HA 0.207 4.378 4.170 0.003 0.000 0.289 61 I C 0.318 176.412 176.117 -0.039 0.000 1.164 61 I CA 0.081 61.353 61.300 -0.046 0.000 1.312 61 I CB 0.142 38.112 38.000 -0.050 0.000 1.569 61 I HN 0.468 nan 8.210 nan 0.000 0.450 62 D N 2.492 122.872 120.400 -0.033 0.000 2.652 62 D HA 0.056 4.697 4.640 0.003 0.000 0.247 62 D C -0.149 176.137 176.300 -0.023 0.000 1.232 62 D CA 0.050 54.033 54.000 -0.028 0.000 0.863 62 D CB -0.387 40.398 40.800 -0.025 0.000 1.023 62 D HN -0.024 nan 8.370 nan 0.000 0.474 63 R N -0.006 120.479 120.500 -0.025 0.000 3.251 63 R HA -0.238 4.104 4.340 0.003 0.000 0.249 63 R C -0.980 175.311 176.300 -0.015 0.000 0.949 63 R CA 0.335 56.423 56.100 -0.020 0.000 0.645 63 R CB -2.164 28.126 30.300 -0.017 0.000 1.065 63 R HN 0.228 nan 8.270 nan 0.000 0.452 64 N N -0.434 118.256 118.700 -0.016 0.000 2.321 64 N HA 0.356 5.098 4.740 0.003 0.000 0.299 64 N C 0.904 176.410 175.510 -0.006 0.000 1.048 64 N CA -0.739 52.304 53.050 -0.011 0.000 0.836 64 N CB 1.184 39.664 38.487 -0.011 0.000 1.269 64 N HN 0.044 nan 8.380 nan 0.000 0.486 65 L N 0.686 121.909 121.223 -0.000 0.000 2.362 65 L HA 0.012 4.353 4.340 0.003 0.000 0.219 65 L C 0.825 177.705 176.870 0.017 0.000 1.134 65 L CA 0.813 55.658 54.840 0.007 0.000 0.807 65 L CB -0.202 41.862 42.059 0.008 0.000 0.927 65 L HN 0.335 nan 8.230 nan 0.000 0.447 66 K N 0.928 121.337 120.400 0.015 0.000 2.686 66 K HA 0.031 4.353 4.320 0.003 0.000 0.244 66 K C 0.164 176.793 176.600 0.048 0.000 1.262 66 K CA 0.075 56.378 56.287 0.026 0.000 1.199 66 K CB -0.525 31.984 32.500 0.016 0.000 1.428 66 K HN 0.225 nan 8.250 nan 0.000 0.247 67 c N 2.799 121.445 118.600 0.076 0.000 2.842 67 c HA -0.027 4.544 4.570 0.003 0.000 0.472 67 c C 0.185 174.421 174.090 0.243 0.000 1.272 67 c CA -0.356 56.075 56.329 0.170 0.000 1.549 67 c CB -2.486 40.140 42.510 0.193 0.000 1.870 67 c HN 0.787 nan 8.230 nan 0.000 0.613 68 Q N -0.552 119.325 119.800 0.129 0.000 2.499 68 Q HA -0.239 4.103 4.340 0.003 0.000 0.262 68 Q C 0.403 176.410 176.000 0.011 0.000 1.328 68 Q CA 1.238 57.074 55.803 0.055 0.000 0.794 68 Q CB -2.292 26.470 28.738 0.040 0.000 0.888 68 Q HN 0.721 nan 8.270 nan 0.000 0.305 69 T N -1.076 113.484 114.554 0.011 0.000 9.749 69 T HA -0.427 3.924 4.350 0.003 0.000 0.394 69 T C 1.305 176.006 174.700 0.003 0.000 1.620 69 T CA 2.290 64.390 62.100 0.000 0.000 2.556 69 T CB -2.621 66.240 68.868 -0.013 0.000 2.856 69 T HN 1.639 nan 8.240 nan 0.000 1.165 70 C N 1.748 121.056 119.300 0.013 0.000 2.539 70 C HA 0.461 4.922 4.460 0.003 0.000 0.268 70 C C 1.328 176.341 174.990 0.038 0.000 1.395 70 C CA 0.354 59.386 59.018 0.023 0.000 1.757 70 C CB -1.129 26.633 27.740 0.037 0.000 1.851 70 C HN 0.785 nan 8.230 nan 0.000 0.545 71 Q N -0.638 119.184 119.800 0.037 0.000 0.736 71 Q HA -0.200 4.141 4.340 0.003 0.000 0.306 71 Q C 0.639 176.656 176.000 0.028 0.000 1.069 71 Q CA 1.067 56.886 55.803 0.026 0.000 0.463 71 Q CB -0.989 27.760 28.738 0.017 0.000 5.195 71 Q HN 0.497 nan 8.270 nan 0.000 0.371 72 E N -2.118 118.093 120.200 0.018 0.000 4.205 72 E HA -0.292 4.059 4.350 0.003 0.000 0.310 72 E C 0.613 177.219 176.600 0.009 0.000 0.654 72 E CA 2.466 58.876 56.400 0.015 0.000 1.279 72 E CB -1.788 27.924 29.700 0.020 0.000 1.720 72 E HN 1.520 nan 8.360 nan 0.000 0.403 73 G N 0.716 109.520 108.800 0.008 0.000 2.828 73 G HA2 -0.265 3.697 3.960 0.003 0.000 0.463 73 G HA3 -0.265 3.697 3.960 0.003 0.000 0.463 73 G C 0.578 175.472 174.900 -0.011 0.000 1.394 73 G CA 0.582 45.680 45.100 -0.003 0.000 0.862 73 G HN 0.457 nan 8.290 nan 0.000 0.540 74 M N -0.338 119.250 119.600 -0.021 0.000 2.814 74 M HA 0.351 4.833 4.480 0.003 0.000 0.203 74 M C 0.628 176.912 176.300 -0.027 0.000 1.193 74 M CA 1.021 56.303 55.300 -0.031 0.000 1.040 74 M CB -0.062 32.513 32.600 -0.041 0.000 1.796 74 M HN 0.317 nan 8.290 nan 0.000 0.454 75 N N 0.638 119.328 118.700 -0.018 0.000 2.571 75 N HA 0.156 4.897 4.740 0.003 0.000 0.298 75 N C -0.406 175.099 175.510 -0.008 0.000 1.671 75 N CA 0.244 53.285 53.050 -0.015 0.000 0.900 75 N CB 0.719 39.198 38.487 -0.014 0.000 1.365 75 N HN 0.684 nan 8.380 nan 0.000 0.493 76 E N -1.078 119.118 120.200 -0.006 0.000 2.876 76 E HA 0.120 4.471 4.350 0.003 0.000 0.286 76 E C -0.636 175.970 176.600 0.009 0.000 1.128 76 E CA -0.160 56.243 56.400 0.005 0.000 2.071 76 E CB -0.296 29.412 29.700 0.013 0.000 2.256 76 E HN 0.094 nan 8.360 nan 0.000 1.056 77 c N 4.390 122.997 118.600 0.011 0.000 2.106 77 c HA 0.033 4.604 4.570 0.003 0.000 0.402 77 c C -1.266 172.811 174.090 -0.021 0.000 1.548 77 c CA -0.219 56.117 56.329 0.011 0.000 1.432 77 c CB 0.168 42.669 42.510 -0.015 0.000 2.584 77 c HN 0.400 nan 8.230 nan 0.000 0.604 78 P HA 0.171 nan 4.420 nan 0.000 0.237 78 P C 0.644 177.899 177.300 -0.075 0.000 1.178 78 P CA 1.504 64.598 63.100 -0.010 0.000 0.766 78 P CB -0.213 31.512 31.700 0.041 0.000 0.876 79 G N 1.808 110.512 108.800 -0.159 0.000 2.738 79 G HA2 -0.166 3.795 3.960 0.003 0.000 0.262 79 G HA3 -0.166 3.795 3.960 0.003 0.000 0.262 79 G C -0.081 174.627 174.900 -0.321 0.000 1.032 79 G CA -0.601 44.288 45.100 -0.351 0.000 1.278 79 G HN 0.511 nan 8.290 nan 0.000 0.537 80 H N 0.535 119.594 119.070 -0.019 0.000 2.998 80 H HA 0.278 4.836 4.556 0.003 0.000 0.353 80 H C 0.708 176.049 175.328 0.020 0.000 1.099 80 H CA 0.045 56.117 56.048 0.041 0.000 1.393 80 H CB 0.529 30.322 29.762 0.051 0.000 1.343 80 H HN 0.261 nan 8.280 nan 0.000 0.609 81 F N 0.068 120.089 119.950 0.118 0.000 2.399 81 F HA 0.392 4.921 4.527 0.003 0.000 0.313 81 F C 1.243 177.083 175.800 0.067 0.000 1.202 81 F CA 0.906 58.938 58.000 0.053 0.000 1.192 81 F CB 1.135 40.151 39.000 0.026 0.000 1.256 81 F HN 0.716 nan 8.300 nan 0.000 0.558 82 G N -0.337 108.643 108.800 0.299 0.000 2.519 82 G HA2 0.537 4.499 3.960 0.003 0.000 0.307 82 G HA3 0.537 4.499 3.960 0.003 0.000 0.307 82 G C -2.200 172.849 174.900 0.249 0.000 1.266 82 G CA -0.651 44.576 45.100 0.211 0.000 0.970 82 G HN 0.859 nan 8.290 nan 0.000 0.481 83 H N -0.221 118.883 119.070 0.058 0.000 2.538 83 H HA 0.753 5.311 4.556 0.002 0.000 0.353 83 H C -1.311 174.015 175.328 -0.004 0.000 1.109 83 H CA -1.204 54.852 56.048 0.013 0.000 1.192 83 H CB 2.308 32.067 29.762 -0.005 0.000 1.555 83 H HN 0.443 nan 8.280 nan 0.000 0.518 84 I N 3.770 124.250 120.570 -0.151 0.000 2.447 84 I HA 0.191 4.363 4.170 0.003 0.000 0.287 84 I C -0.976 175.072 176.117 -0.114 0.000 1.023 84 I CA -0.696 60.480 61.300 -0.207 0.000 1.083 84 I CB 1.601 39.517 38.000 -0.140 0.000 1.245 84 I HN 0.883 nan 8.210 nan 0.000 0.434 85 D N 8.507 128.833 120.400 -0.123 0.000 2.348 85 D HA 0.230 4.872 4.640 0.003 0.000 0.253 85 D C 0.004 176.280 176.300 -0.040 0.000 1.161 85 D CA -0.129 53.850 54.000 -0.035 0.000 0.876 85 D CB 1.790 42.576 40.800 -0.023 0.000 1.160 85 D HN 0.399 nan 8.370 nan 0.000 0.459 86 L N 1.823 123.035 121.223 -0.018 0.000 2.326 86 L HA 0.205 4.547 4.340 0.003 0.000 0.278 86 L C 1.605 178.466 176.870 -0.016 0.000 1.092 86 L CA -0.558 54.269 54.840 -0.022 0.000 0.810 86 L CB 1.382 43.432 42.059 -0.015 0.000 1.153 86 L HN 0.469 nan 8.230 nan 0.000 0.439 87 A N 4.220 127.028 122.820 -0.020 0.000 1.835 87 A HA -0.035 4.287 4.320 0.003 0.000 0.215 87 A C 0.875 178.456 177.584 -0.005 0.000 1.199 87 A CA 1.273 53.304 52.037 -0.011 0.000 0.615 87 A CB 0.015 19.008 19.000 -0.011 0.000 0.838 87 A HN 0.674 nan 8.150 nan 0.000 0.444 88 K N 0.045 120.437 120.400 -0.013 0.000 2.463 88 K HA 0.398 4.720 4.320 0.003 0.000 0.255 88 K C -2.898 173.678 176.600 -0.041 0.000 0.942 88 K CA -2.327 53.948 56.287 -0.020 0.000 0.814 88 K CB 1.686 34.175 32.500 -0.018 0.000 1.122 88 K HN 0.005 nan 8.250 nan 0.000 0.425 89 P HA -0.182 nan 4.420 nan 0.000 0.265 89 P C -0.740 176.464 177.300 -0.161 0.000 1.151 89 P CA 0.294 63.351 63.100 -0.071 0.000 0.755 89 P CB 0.246 31.909 31.700 -0.062 0.000 0.756 90 V N 0.419 120.241 119.914 -0.154 0.000 3.007 90 V HA 0.562 4.683 4.120 0.003 0.000 0.311 90 V C -0.243 175.758 176.094 -0.155 0.000 1.120 90 V CA -1.258 60.904 62.300 -0.230 0.000 0.980 90 V CB 1.496 33.285 31.823 -0.056 0.000 1.033 90 V HN 0.163 nan 8.190 nan 0.000 0.429 91 F N 0.901 120.915 119.950 0.107 0.000 2.506 91 F HA 0.430 4.959 4.527 0.002 0.000 0.351 91 F C 0.606 176.492 175.800 0.143 0.000 1.136 91 F CA 0.303 58.388 58.000 0.141 0.000 1.298 91 F CB 0.072 39.147 39.000 0.124 0.000 1.145 91 F HN 0.798 nan 8.300 nan 0.000 0.593 92 H N 1.767 120.997 119.070 0.266 0.000 2.541 92 H HA 0.354 4.911 4.556 0.003 0.000 0.316 92 H C 0.712 176.021 175.328 -0.031 0.000 1.043 92 H CA -0.882 55.228 56.048 0.104 0.000 1.232 92 H CB 1.125 30.970 29.762 0.140 0.000 1.406 92 H HN 0.504 nan 8.280 nan 0.000 0.469 93 V N 2.843 122.798 119.914 0.069 0.000 2.282 93 V HA -0.211 3.911 4.120 0.003 0.000 0.249 93 V C 2.344 178.387 176.094 -0.085 0.000 1.057 93 V CA 2.036 64.339 62.300 0.005 0.000 1.032 93 V CB -1.125 30.680 31.823 -0.030 0.000 0.645 93 V HN 0.886 nan 8.190 nan 0.000 0.447 94 G N -0.743 107.827 108.800 -0.383 0.000 2.422 94 G HA2 -0.132 3.830 3.960 0.003 0.000 0.218 94 G HA3 -0.132 3.830 3.960 0.003 0.000 0.218 94 G C 1.398 176.071 174.900 -0.378 0.000 1.140 94 G CA 0.746 45.484 45.100 -0.603 0.000 0.775 94 G HN 0.585 nan 8.290 nan 0.000 0.545 95 F N 0.036 119.866 119.950 -0.199 0.000 2.754 95 F HA 0.216 4.744 4.527 0.003 0.000 0.297 95 F C 2.252 178.047 175.800 -0.008 0.000 1.122 95 F CA -0.973 56.947 58.000 -0.133 0.000 1.400 95 F CB 0.175 39.055 39.000 -0.199 0.000 1.117 95 F HN -0.056 nan 8.300 nan 0.000 0.587 96 I N 1.398 122.070 120.570 0.171 0.000 2.103 96 I HA -0.421 3.750 4.170 0.003 0.000 0.241 96 I C 2.820 179.003 176.117 0.110 0.000 1.036 96 I CA 1.734 63.109 61.300 0.126 0.000 1.300 96 I CB -1.619 36.413 38.000 0.053 0.000 1.010 96 I HN 0.145 nan 8.210 nan 0.000 0.406 97 A N 0.125 122.995 122.820 0.082 0.000 1.915 97 A HA -0.306 4.016 4.320 0.003 0.000 0.220 97 A C 2.452 180.073 177.584 0.061 0.000 1.198 97 A CA 2.408 54.478 52.037 0.055 0.000 0.647 97 A CB -0.652 18.370 19.000 0.036 0.000 0.825 97 A HN 0.437 nan 8.150 nan 0.000 0.456 98 K N -0.832 119.622 120.400 0.089 0.000 1.991 98 K HA 0.020 4.342 4.320 0.003 0.000 0.207 98 K C 1.921 178.636 176.600 0.192 0.000 1.045 98 K CA 1.376 57.715 56.287 0.087 0.000 0.937 98 K CB -0.375 32.119 32.500 -0.009 0.000 0.720 98 K HN 0.608 nan 8.250 nan 0.000 0.438 99 I N 1.511 122.213 120.570 0.219 0.000 2.399 99 I HA -0.298 3.873 4.170 0.003 0.000 0.254 99 I C 2.516 178.815 176.117 0.303 0.000 1.146 99 I CA 1.057 62.546 61.300 0.315 0.000 1.412 99 I CB -0.375 37.838 38.000 0.356 0.000 1.076 99 I HN 0.118 nan 8.210 nan 0.000 0.432 100 K N 1.901 122.432 120.400 0.219 0.000 2.062 100 K HA -0.134 4.188 4.320 0.003 0.000 0.205 100 K C 2.023 178.787 176.600 0.272 0.000 1.051 100 K CA 1.405 57.809 56.287 0.195 0.000 0.941 100 K CB -0.055 32.527 32.500 0.135 0.000 0.719 100 K HN 0.304 nan 8.250 nan 0.000 0.440 101 K N 0.386 120.950 120.400 0.272 0.000 2.063 101 K HA -0.114 4.207 4.320 0.003 0.000 0.208 101 K C 2.011 178.903 176.600 0.487 0.000 1.048 101 K CA 1.580 58.081 56.287 0.355 0.000 0.928 101 K CB -0.042 32.522 32.500 0.106 0.000 0.713 101 K HN -0.008 nan 8.250 nan 0.000 0.442 102 V N 0.209 120.401 119.914 0.463 0.000 2.453 102 V HA -0.187 3.935 4.120 0.003 0.000 0.247 102 V C 1.917 178.223 176.094 0.352 0.000 1.048 102 V CA 1.122 63.705 62.300 0.473 0.000 1.049 102 V CB -0.428 31.743 31.823 0.580 0.000 0.672 102 V HN 0.321 nan 8.190 nan 0.000 0.457 103 C N 0.919 120.394 119.300 0.293 0.000 2.379 103 C HA 0.176 4.637 4.460 0.003 0.000 0.346 103 C C 1.755 176.806 174.990 0.102 0.000 1.305 103 C CA 0.138 59.230 59.018 0.123 0.000 1.657 103 C CB -2.032 25.743 27.740 0.058 0.000 1.739 103 C HN 0.579 nan 8.230 nan 0.000 0.594 104 E N -1.961 118.339 120.200 0.167 0.000 2.601 104 E HA 0.073 4.424 4.350 0.003 0.000 0.219 104 E C 1.042 177.653 176.600 0.018 0.000 0.964 104 E CA 0.162 56.612 56.400 0.084 0.000 1.050 104 E CB 0.425 30.228 29.700 0.172 0.000 1.068 104 E HN 0.612 nan 8.360 nan 0.000 0.496 105 C N 0.491 119.839 119.300 0.079 0.000 3.364 105 C HA 0.291 4.753 4.460 0.003 0.000 0.340 105 C C 0.619 175.622 174.990 0.022 0.000 1.336 105 C CA -0.283 58.751 59.018 0.026 0.000 1.778 105 C CB 0.586 28.346 27.740 0.032 0.000 2.398 105 C HN -0.041 nan 8.230 nan 0.000 0.667 106 V N -0.238 119.700 119.914 0.039 0.000 2.876 106 V HA 0.480 4.601 4.120 0.003 0.000 0.312 106 V C -0.444 175.635 176.094 -0.024 0.000 1.085 106 V CA -0.639 61.669 62.300 0.013 0.000 0.945 106 V CB 1.588 33.439 31.823 0.047 0.000 1.017 106 V HN 0.333 nan 8.190 nan 0.000 0.428 107 C N 5.274 124.561 119.300 -0.022 0.000 2.345 107 C HA 0.771 5.232 4.460 0.003 0.000 0.370 107 C C 0.456 175.437 174.990 -0.014 0.000 1.209 107 C CA -0.614 58.397 59.018 -0.012 0.000 2.133 107 C CB 1.185 28.936 27.740 0.017 0.000 2.293 107 C HN 0.879 nan 8.230 nan 0.000 0.544 108 M N 1.764 121.379 119.600 0.025 0.000 2.310 108 M HA 0.364 4.845 4.480 0.003 0.000 0.241 108 M C 1.016 177.359 176.300 0.071 0.000 1.162 108 M CA -0.104 55.187 55.300 -0.015 0.000 0.958 108 M CB -1.017 31.556 32.600 -0.045 0.000 1.348 108 M HN 0.828 nan 8.290 nan 0.000 0.541 109 H N -2.566 116.528 119.070 0.041 0.000 3.235 109 H HA -0.223 4.335 4.556 0.003 0.000 0.269 109 H C 1.014 176.354 175.328 0.020 0.000 1.077 109 H CA 1.238 57.307 56.048 0.036 0.000 1.194 109 H CB -1.377 28.409 29.762 0.040 0.000 1.292 109 H HN 0.835 nan 8.280 nan 0.000 0.326 110 C N -1.475 117.874 119.300 0.081 0.000 3.269 110 C HA 0.462 4.923 4.460 0.003 0.000 0.227 110 C C 0.802 175.802 174.990 0.017 0.000 2.518 110 C CA 1.602 60.646 59.018 0.043 0.000 1.174 110 C CB 0.704 28.471 27.740 0.044 0.000 1.363 110 C HN 1.259 nan 8.230 nan 0.000 0.689 111 G N 2.819 111.621 108.800 0.004 0.000 2.963 111 G HA2 0.053 4.015 3.960 0.003 0.000 0.262 111 G HA3 0.053 4.015 3.960 0.003 0.000 0.262 111 G C -0.817 174.073 174.900 -0.017 0.000 1.043 111 G CA 0.558 45.651 45.100 -0.011 0.000 1.223 111 G HN 0.829 nan 8.290 nan 0.000 0.574 112 K N 0.844 121.232 120.400 -0.019 0.000 2.556 112 K HA 0.621 4.942 4.320 0.003 0.000 0.274 112 K C 0.434 177.019 176.600 -0.025 0.000 0.966 112 K CA -1.165 55.103 56.287 -0.032 0.000 0.865 112 K CB 1.647 34.130 32.500 -0.029 0.000 1.444 112 K HN 0.263 nan 8.250 nan 0.000 0.433 113 L N 3.225 124.427 121.223 -0.036 0.000 2.499 113 L HA 0.004 4.345 4.340 0.003 0.000 0.281 113 L C 0.997 177.852 176.870 -0.026 0.000 1.234 113 L CA 0.237 55.059 54.840 -0.031 0.000 0.839 113 L CB 0.336 42.371 42.059 -0.040 0.000 1.104 113 L HN 0.595 nan 8.230 nan 0.000 0.500 114 L N 4.133 125.341 121.223 -0.026 0.000 2.640 114 L HA 0.301 4.642 4.340 0.003 0.000 0.230 114 L C -0.280 176.577 176.870 -0.022 0.000 1.123 114 L CA 0.128 54.953 54.840 -0.023 0.000 0.900 114 L CB -0.073 41.967 42.059 -0.031 0.000 1.146 114 L HN 0.422 nan 8.230 nan 0.000 0.484 115 L N -0.128 121.079 121.223 -0.025 0.000 2.661 115 L HA 0.324 4.666 4.340 0.003 0.000 0.263 115 L C -1.265 175.582 176.870 -0.038 0.000 0.956 115 L CA -0.450 54.378 54.840 -0.019 0.000 0.918 115 L CB 2.554 44.601 42.059 -0.020 0.000 1.280 115 L HN -0.101 nan 8.230 nan 0.000 0.416 116 D N 0.595 120.961 120.400 -0.056 0.000 2.478 116 D HA 0.175 4.816 4.640 0.003 0.000 0.269 116 D C 0.661 176.876 176.300 -0.142 0.000 1.232 116 D CA -0.286 53.632 54.000 -0.137 0.000 1.059 116 D CB 0.970 41.614 40.800 -0.260 0.000 1.104 116 D HN 0.472 nan 8.370 nan 0.000 0.566 117 E N -0.595 119.487 120.200 -0.196 0.000 2.510 117 E HA -0.133 4.219 4.350 0.003 0.000 0.202 117 E C 1.075 177.642 176.600 -0.054 0.000 1.072 117 E CA 0.603 56.935 56.400 -0.114 0.000 0.883 117 E CB -0.104 29.538 29.700 -0.098 0.000 0.818 117 E HN 0.342 nan 8.360 nan 0.000 0.548 118 H N 0.358 119.424 119.070 -0.006 0.000 2.326 118 H HA -0.017 4.540 4.556 0.003 0.000 0.301 118 H C 1.036 176.360 175.328 -0.007 0.000 1.081 118 H CA 0.734 56.778 56.048 -0.006 0.000 1.334 118 H CB -0.347 29.411 29.762 -0.008 0.000 1.385 118 H HN 0.154 nan 8.280 nan 0.000 0.504 119 N N 1.786 120.554 118.700 0.113 0.000 2.492 119 N HA -0.086 4.655 4.740 0.003 0.000 0.260 119 N C 0.681 176.212 175.510 0.034 0.000 1.215 119 N CA 0.249 53.332 53.050 0.055 0.000 0.923 119 N CB 0.939 39.444 38.487 0.030 0.000 1.092 119 N HN 0.379 nan 8.380 nan 0.000 0.448 120 E N 2.316 122.531 120.200 0.025 0.000 2.385 120 E HA -0.008 4.343 4.350 0.003 0.000 0.194 120 E C 1.186 177.794 176.600 0.012 0.000 1.013 120 E CA 0.465 56.876 56.400 0.019 0.000 0.866 120 E CB 0.337 30.047 29.700 0.017 0.000 0.832 120 E HN 0.587 nan 8.360 nan 0.000 0.500 121 L N -0.178 121.050 121.223 0.008 0.000 2.416 121 L HA 0.053 4.394 4.340 0.003 0.000 0.216 121 L C 2.103 178.975 176.870 0.003 0.000 1.098 121 L CA 0.129 54.972 54.840 0.005 0.000 0.840 121 L CB 0.105 42.164 42.059 0.001 0.000 0.981 121 L HN 0.148 nan 8.230 nan 0.000 0.462 122 M N -0.179 119.422 119.600 0.001 0.000 2.476 122 M HA -0.051 4.431 4.480 0.003 0.000 0.262 122 M C 2.033 178.332 176.300 -0.002 0.000 1.079 122 M CA 1.511 56.808 55.300 -0.004 0.000 1.104 122 M CB -0.364 32.229 32.600 -0.011 0.000 1.409 122 M HN -0.007 nan 8.290 nan 0.000 0.467 123 R N -0.936 119.565 120.500 0.003 0.000 2.236 123 R HA 0.029 4.370 4.340 0.003 0.000 0.208 123 R C 1.184 177.490 176.300 0.010 0.000 1.036 123 R CA 0.746 56.849 56.100 0.005 0.000 1.001 123 R CB -0.082 30.223 30.300 0.010 0.000 0.896 123 R HN 0.506 nan 8.270 nan 0.000 0.464 124 Q N -0.841 118.966 119.800 0.011 0.000 2.212 124 Q HA 0.223 4.564 4.340 0.003 0.000 0.213 124 Q C 0.529 176.540 176.000 0.020 0.000 0.874 124 Q CA -0.013 55.799 55.803 0.016 0.000 0.965 124 Q CB 1.244 29.991 28.738 0.016 0.000 1.074 124 Q HN 0.296 nan 8.270 nan 0.000 0.473 125 A N -0.726 122.105 122.820 0.018 0.000 1.780 125 A HA 0.149 4.470 4.320 0.003 0.000 0.208 125 A C 1.382 178.982 177.584 0.027 0.000 1.761 125 A CA -0.161 51.891 52.037 0.024 0.000 1.183 125 A CB -0.126 18.885 19.000 0.019 0.000 1.162 125 A HN 0.290 nan 8.150 nan 0.000 0.472 126 L N 0.411 121.644 121.223 0.016 0.000 2.265 126 L HA -0.134 4.207 4.340 0.003 0.000 0.215 126 L C 2.790 179.673 176.870 0.022 0.000 1.117 126 L CA 1.159 56.009 54.840 0.016 0.000 0.782 126 L CB -0.189 41.870 42.059 -0.001 0.000 0.914 126 L HN 0.512 nan 8.230 nan 0.000 0.441 127 A N -0.212 122.621 122.820 0.021 0.000 1.878 127 A HA 0.004 4.325 4.320 0.003 0.000 0.213 127 A C 1.289 178.889 177.584 0.028 0.000 1.192 127 A CA -0.059 51.991 52.037 0.021 0.000 0.619 127 A CB -0.303 18.708 19.000 0.018 0.000 0.837 127 A HN 0.207 nan 8.150 nan 0.000 0.446 128 I N 1.068 121.657 120.570 0.032 0.000 2.996 128 I HA -0.117 4.055 4.170 0.003 0.000 0.311 128 I C 0.134 176.274 176.117 0.037 0.000 1.219 128 I CA 0.403 61.724 61.300 0.035 0.000 1.452 128 I CB 0.402 38.426 38.000 0.040 0.000 1.319 128 I HN 0.245 nan 8.210 nan 0.000 0.564 129 K N 6.399 126.818 120.400 0.032 0.000 2.298 129 K HA 0.184 4.505 4.320 0.003 0.000 0.280 129 K C -1.015 175.605 176.600 0.032 0.000 1.032 129 K CA -0.106 56.199 56.287 0.029 0.000 0.958 129 K CB 0.417 32.931 32.500 0.023 0.000 0.978 129 K HN 0.615 nan 8.250 nan 0.000 0.472 130 D N 1.418 121.836 120.400 0.031 0.000 2.984 130 D HA -0.091 4.551 4.640 0.003 0.000 0.208 130 D C 0.107 176.431 176.300 0.041 0.000 1.230 130 D CA 0.092 54.109 54.000 0.028 0.000 0.570 130 D CB -0.520 40.298 40.800 0.030 0.000 0.368 130 D HN 0.450 nan 8.370 nan 0.000 0.173 131 S N 1.105 116.822 115.700 0.028 0.000 2.461 131 S HA -0.231 4.240 4.470 0.003 0.000 0.246 131 S C 1.745 176.369 174.600 0.040 0.000 1.007 131 S CA 1.326 59.547 58.200 0.035 0.000 0.976 131 S CB 0.289 63.481 63.200 -0.014 0.000 0.763 131 S HN 0.391 nan 8.310 nan 0.000 0.508 132 K N 0.289 120.703 120.400 0.023 0.000 2.078 132 K HA 0.090 4.412 4.320 0.003 0.000 0.203 132 K C 1.873 178.520 176.600 0.080 0.000 1.043 132 K CA 0.808 57.105 56.287 0.015 0.000 0.960 132 K CB 0.020 32.513 32.500 -0.012 0.000 0.761 132 K HN -0.002 nan 8.250 nan 0.000 0.448 133 K N 0.309 120.757 120.400 0.080 0.000 2.314 133 K HA 0.070 4.391 4.320 0.003 0.000 0.198 133 K C 1.862 178.535 176.600 0.123 0.000 1.045 133 K CA 0.314 56.659 56.287 0.097 0.000 0.988 133 K CB 0.176 32.717 32.500 0.068 0.000 0.783 133 K HN 0.027 nan 8.250 nan 0.000 0.484 134 R N -0.366 120.211 120.500 0.127 0.000 2.080 134 R HA -0.145 4.197 4.340 0.003 0.000 0.236 134 R C 1.892 178.296 176.300 0.173 0.000 1.137 134 R CA 1.798 57.976 56.100 0.130 0.000 0.943 134 R CB -0.375 30.001 30.300 0.126 0.000 0.846 134 R HN 0.195 nan 8.270 nan 0.000 0.431 135 F N 0.694 120.689 119.950 0.074 0.000 2.202 135 F HA -0.180 4.349 4.527 0.003 0.000 0.301 135 F C 2.103 177.973 175.800 0.118 0.000 1.082 135 F CA 1.494 59.553 58.000 0.099 0.000 1.313 135 F CB -0.144 38.900 39.000 0.072 0.000 1.024 135 F HN 0.132 nan 8.300 nan 0.000 0.495 136 A N -0.329 122.667 122.820 0.294 0.000 2.014 136 A HA 0.043 4.364 4.320 0.003 0.000 0.218 136 A C 2.251 179.941 177.584 0.177 0.000 1.163 136 A CA 1.367 53.538 52.037 0.223 0.000 0.652 136 A CB -1.164 17.932 19.000 0.161 0.000 0.808 136 A HN 0.419 nan 8.150 nan 0.000 0.449 137 A N -0.374 122.521 122.820 0.126 0.000 1.975 137 A HA 0.172 4.494 4.320 0.003 0.000 0.215 137 A C 2.019 179.639 177.584 0.060 0.000 1.170 137 A CA 0.965 53.055 52.037 0.088 0.000 0.656 137 A CB -0.397 18.642 19.000 0.066 0.000 0.821 137 A HN 0.433 nan 8.150 nan 0.000 0.449 138 I N -2.381 118.207 120.570 0.031 0.000 2.163 138 I HA -0.241 3.930 4.170 0.003 0.000 0.240 138 I C 2.378 178.481 176.117 -0.023 0.000 1.081 138 I CA 1.440 62.723 61.300 -0.028 0.000 1.353 138 I CB -0.315 37.629 38.000 -0.093 0.000 1.054 138 I HN 0.669 nan 8.210 nan 0.000 0.407 139 W N 1.851 123.018 121.300 -0.221 0.000 2.350 139 W HA -0.221 4.440 4.660 0.003 0.000 0.289 139 W C 2.403 178.875 176.519 -0.079 0.000 1.215 139 W CA 1.962 59.198 57.345 -0.182 0.000 1.236 139 W CB -0.360 28.990 29.460 -0.184 0.000 1.130 139 W HN 0.013 nan 8.180 nan 0.000 0.541 140 T N 0.886 115.482 114.554 0.070 0.000 2.977 140 T HA -0.117 4.235 4.350 0.003 0.000 0.271 140 T C 1.385 175.987 174.700 -0.163 0.000 1.105 140 T CA 1.322 63.384 62.100 -0.064 0.000 1.116 140 T CB -0.263 68.645 68.868 0.067 0.000 0.878 140 T HN 0.186 nan 8.240 nan 0.000 0.509 141 L N -0.859 120.278 121.223 -0.143 0.000 2.906 141 L HA 0.336 4.677 4.340 0.003 0.000 0.255 141 L C 1.021 177.801 176.870 -0.150 0.000 1.166 141 L CA -0.164 54.603 54.840 -0.122 0.000 0.977 141 L CB 0.385 42.405 42.059 -0.064 0.000 1.313 141 L HN 0.229 nan 8.230 nan 0.000 0.549 142 C N -0.497 118.668 119.300 -0.226 0.000 3.559 142 C HA 0.060 4.522 4.460 0.003 0.000 0.314 142 C C 2.292 177.122 174.990 -0.267 0.000 1.419 142 C CA -0.363 58.532 59.018 -0.205 0.000 1.775 142 C CB -0.023 27.620 27.740 -0.161 0.000 2.430 142 C HN 0.493 nan 8.230 nan 0.000 0.686 143 K N 1.006 121.164 120.400 -0.404 0.000 2.228 143 K HA 0.001 4.323 4.320 0.003 0.000 0.202 143 K C 1.230 177.684 176.600 -0.244 0.000 1.051 143 K CA 1.496 57.545 56.287 -0.397 0.000 0.960 143 K CB -0.574 31.547 32.500 -0.632 0.000 0.743 143 K HN 0.303 nan 8.250 nan 0.000 0.458 144 T N 0.926 115.358 114.554 -0.203 0.000 3.081 144 T HA 0.077 4.429 4.350 0.003 0.000 0.255 144 T C 0.296 174.935 174.700 -0.102 0.000 1.113 144 T CA 0.184 62.203 62.100 -0.135 0.000 1.082 144 T CB 0.118 68.918 68.868 -0.113 0.000 0.939 144 T HN 0.041 nan 8.240 nan 0.000 0.506 145 K N 2.215 122.551 120.400 -0.107 0.000 2.171 145 K HA 0.349 4.671 4.320 0.003 0.000 0.274 145 K C 0.650 177.207 176.600 -0.072 0.000 1.110 145 K CA -0.016 56.225 56.287 -0.076 0.000 0.952 145 K CB 0.544 33.002 32.500 -0.069 0.000 1.309 145 K HN 0.386 nan 8.250 nan 0.000 0.414 146 M N 0.647 120.212 119.600 -0.058 0.000 2.236 146 M HA -0.081 4.401 4.480 0.003 0.000 0.266 146 M C 1.117 177.399 176.300 -0.030 0.000 1.070 146 M CA 0.780 56.047 55.300 -0.054 0.000 1.137 146 M CB -0.008 32.566 32.600 -0.043 0.000 1.378 146 M HN 0.181 nan 8.290 nan 0.000 0.426 147 V N -3.190 116.716 119.914 -0.014 0.000 2.973 147 V HA 0.159 4.280 4.120 0.003 0.000 0.314 147 V C 0.779 176.876 176.094 0.006 0.000 1.066 147 V CA -1.137 61.167 62.300 0.008 0.000 1.021 147 V CB 1.542 33.371 31.823 0.011 0.000 1.076 147 V HN 0.382 nan 8.190 nan 0.000 0.462 148 C N 0.939 120.251 119.300 0.021 0.000 2.594 148 C HA 0.310 4.771 4.460 0.003 0.000 0.265 148 C C 0.924 175.922 174.990 0.013 0.000 1.351 148 C CA 0.618 59.647 59.018 0.018 0.000 1.744 148 C CB -2.288 25.473 27.740 0.034 0.000 1.890 148 C HN 1.145 nan 8.230 nan 0.000 0.551 149 E N -1.755 118.452 120.200 0.012 0.000 9.140 149 E HA -0.162 4.189 4.350 0.003 0.000 0.500 149 E C 0.546 177.150 176.600 0.007 0.000 1.410 149 E CA 0.536 56.940 56.400 0.007 0.000 2.471 149 E CB -0.940 28.763 29.700 0.005 0.000 1.023 149 E HN 0.351 nan 8.360 nan 0.000 0.270 150 T N -0.139 114.416 114.554 0.003 0.000 2.818 150 T HA 0.075 4.426 4.350 0.003 0.000 0.246 150 T C -0.051 174.649 174.700 0.000 0.000 1.036 150 T CA 0.927 63.027 62.100 0.000 0.000 1.160 150 T CB 0.040 68.906 68.868 -0.003 0.000 0.869 150 T HN 0.396 nan 8.240 nan 0.000 0.419 151 D N 0.041 120.439 120.400 -0.002 0.000 2.836 151 D HA 0.300 4.942 4.640 0.003 0.000 0.215 151 D C -1.245 175.048 176.300 -0.011 0.000 1.255 151 D CA -0.368 53.629 54.000 -0.004 0.000 0.822 151 D CB 2.660 43.453 40.800 -0.011 0.000 1.656 151 D HN -0.049 nan 8.370 nan 0.000 0.511 152 V N 3.218 123.129 119.914 -0.005 0.000 2.572 152 V HA 0.192 4.314 4.120 0.003 0.000 0.291 152 V C -1.880 174.181 176.094 -0.055 0.000 1.039 152 V CA -0.873 61.421 62.300 -0.011 0.000 1.055 152 V CB 0.596 32.439 31.823 0.034 0.000 0.969 152 V HN 0.375 nan 8.190 nan 0.000 0.482 153 P HA 0.113 nan 4.420 nan 0.000 0.268 153 P C 0.035 177.288 177.300 -0.078 0.000 1.204 153 P CA 0.320 63.387 63.100 -0.055 0.000 0.768 153 P CB 0.618 32.298 31.700 -0.032 0.000 0.842 162 V N -1.412 118.450 119.914 -0.087 0.000 2.834 162 V HA 0.840 4.961 4.120 0.003 0.000 0.301 162 V C 0.722 176.769 176.094 -0.079 0.000 1.066 162 V CA -0.055 62.184 62.300 -0.101 0.000 1.052 162 V CB 1.449 33.166 31.823 -0.177 0.000 1.021 162 V HN 0.349 nan 8.190 nan 0.000 0.480 163 S N 3.057 118.730 115.700 -0.045 0.000 2.664 163 S HA 0.790 5.262 4.470 0.003 0.000 0.304 163 S C 0.196 174.807 174.600 0.019 0.000 1.099 163 S CA -0.366 57.827 58.200 -0.012 0.000 1.003 163 S CB 2.152 65.346 63.200 -0.009 0.000 1.092 163 S HN 1.138 nan 8.310 nan 0.000 0.525 164 R N -0.142 120.375 120.500 0.028 0.000 2.709 164 R HA 0.524 4.865 4.340 0.003 0.000 0.200 164 R C 0.672 176.984 176.300 0.020 0.000 0.974 164 R CA -0.009 56.116 56.100 0.042 0.000 1.416 164 R CB -0.330 30.015 30.300 0.075 0.000 1.709 164 R HN 1.586 nan 8.270 nan 0.000 0.546 165 G N 0.007 108.815 108.800 0.013 0.000 2.629 165 G HA2 0.364 4.326 3.960 0.003 0.000 0.686 165 G HA3 0.364 4.326 3.960 0.003 0.000 0.686 165 G C -0.005 174.897 174.900 0.004 0.000 1.232 165 G CA -0.256 44.846 45.100 0.004 0.000 0.803 165 G HN 1.175 nan 8.290 nan 0.000 0.638 166 G N -1.773 107.027 108.800 0.001 0.000 2.525 166 G HA2 0.488 4.450 3.960 0.003 0.000 0.685 166 G HA3 0.488 4.450 3.960 0.003 0.000 0.685 166 G C 0.731 175.634 174.900 0.006 0.000 1.285 166 G CA 0.500 45.601 45.100 0.003 0.000 0.849 166 G HN 2.791 nan 8.290 nan 0.000 0.653 167 C N 0.476 119.781 119.300 0.009 0.000 2.657 167 C HA 0.821 5.282 4.460 0.003 0.000 0.404 167 C C 1.459 176.459 174.990 0.017 0.000 1.291 167 C CA 0.501 59.523 59.018 0.007 0.000 2.218 167 C CB 0.850 28.591 27.740 0.001 0.000 2.687 167 C HN 2.260 nan 8.230 nan 0.000 0.634 168 G N 3.484 112.291 108.800 0.012 0.000 4.828 168 G HA2 0.266 4.228 3.960 0.003 0.000 0.294 168 G HA3 0.266 4.228 3.960 0.003 0.000 0.294 168 G C -0.037 174.883 174.900 0.032 0.000 1.288 168 G CA -0.551 44.562 45.100 0.022 0.000 0.987 168 G HN 0.986 nan 8.290 nan 0.000 0.587 169 N N 0.132 118.861 118.700 0.048 0.000 2.424 169 N HA 0.222 4.963 4.740 0.003 0.000 0.257 169 N C -0.057 175.535 175.510 0.136 0.000 1.250 169 N CA -0.327 52.772 53.050 0.082 0.000 0.946 169 N CB 0.579 39.106 38.487 0.067 0.000 1.175 169 N HN 0.031 nan 8.380 nan 0.000 0.477 170 T N -1.413 113.261 114.554 0.200 0.000 2.919 170 T HA 0.005 4.357 4.350 0.003 0.000 0.302 170 T C 0.137 174.926 174.700 0.147 0.000 1.031 170 T CA -0.599 61.610 62.100 0.180 0.000 1.127 170 T CB 1.215 70.213 68.868 0.215 0.000 0.952 170 T HN 0.511 nan 8.240 nan 0.000 0.540 171 Q N 2.388 122.177 119.800 -0.018 0.000 2.243 171 Q HA 0.302 4.643 4.340 0.003 0.000 0.252 171 Q C -2.433 173.359 176.000 -0.347 0.000 0.909 171 Q CA -2.226 53.492 55.803 -0.141 0.000 0.922 171 Q CB 0.715 29.398 28.738 -0.091 0.000 1.215 171 Q HN 0.403 nan 8.270 nan 0.000 0.427 172 P HA 0.022 nan 4.420 nan 0.000 0.271 172 P C -1.070 176.030 177.300 -0.334 0.000 1.233 172 P CA -0.029 62.666 63.100 -0.675 0.000 0.789 172 P CB 0.485 31.710 31.700 -0.792 0.000 0.951 173 T N 1.772 116.169 114.554 -0.262 0.000 3.316 173 T HA 0.349 4.700 4.350 0.003 0.000 0.341 173 T C 0.587 175.221 174.700 -0.111 0.000 1.397 173 T CA -0.254 61.759 62.100 -0.145 0.000 1.085 173 T CB -0.938 67.871 68.868 -0.098 0.000 1.160 173 T HN 0.208 nan 8.240 nan 0.000 0.694 174 I N 2.891 123.405 120.570 -0.093 0.000 2.556 174 I HA 0.253 4.425 4.170 0.003 0.000 0.284 174 I C 0.857 176.969 176.117 -0.008 0.000 1.114 174 I CA -0.045 61.223 61.300 -0.054 0.000 1.418 174 I CB 0.555 38.537 38.000 -0.030 0.000 1.394 174 I HN 0.289 nan 8.210 nan 0.000 0.552 175 R N 5.268 125.763 120.500 -0.009 0.000 2.807 175 R HA 0.377 4.719 4.340 0.003 0.000 0.276 175 R C -0.710 175.592 176.300 0.002 0.000 0.979 175 R CA -0.973 55.130 56.100 0.005 0.000 0.928 175 R CB 1.761 32.061 30.300 -0.000 0.000 1.191 175 R HN 0.463 nan 8.270 nan 0.000 0.471 176 K N 2.162 122.568 120.400 0.010 0.000 2.267 176 K HA 0.055 4.377 4.320 0.003 0.000 0.282 176 K C -1.227 175.368 176.600 -0.008 0.000 1.078 176 K CA -0.133 56.153 56.287 -0.002 0.000 0.903 176 K CB 0.693 33.201 32.500 0.014 0.000 1.111 176 K HN 0.438 nan 8.250 nan 0.000 0.475 177 D N 4.118 124.502 120.400 -0.027 0.000 2.432 177 D HA 0.188 4.829 4.640 0.003 0.000 0.265 177 D C 0.855 177.139 176.300 -0.026 0.000 1.160 177 D CA 0.384 54.372 54.000 -0.019 0.000 0.911 177 D CB 0.789 41.580 40.800 -0.016 0.000 1.052 177 D HN 0.889 nan 8.370 nan 0.000 0.508 178 G N 3.374 112.171 108.800 -0.006 0.000 4.297 178 G HA2 -0.402 3.560 3.960 0.003 0.000 0.359 178 G HA3 -0.402 3.560 3.960 0.003 0.000 0.359 178 G C 1.062 175.958 174.900 -0.007 0.000 1.454 178 G CA 1.160 46.269 45.100 0.015 0.000 1.272 178 G HN 0.505 nan 8.290 nan 0.000 0.797 179 L N -0.158 121.050 121.223 -0.025 0.000 2.388 179 L HA 0.424 4.766 4.340 0.003 0.000 0.209 179 L C 1.283 177.942 176.870 -0.352 0.000 1.061 179 L CA 0.579 55.370 54.840 -0.083 0.000 0.834 179 L CB 0.006 42.097 42.059 0.054 0.000 1.029 179 L HN 0.151 nan 8.230 nan 0.000 0.473 180 K N 0.386 120.627 120.400 -0.266 0.000 2.168 180 K HA 0.694 5.016 4.320 0.003 0.000 0.239 180 K C -0.997 175.467 176.600 -0.227 0.000 0.999 180 K CA -0.230 55.846 56.287 -0.351 0.000 0.900 180 K CB 1.520 33.960 32.500 -0.100 0.000 1.111 180 K HN -0.120 nan 8.250 nan 0.000 0.452 181 L N 1.383 122.503 121.223 -0.172 0.000 2.372 181 L HA 0.465 4.807 4.340 0.003 0.000 0.274 181 L C -0.608 176.255 176.870 -0.012 0.000 0.988 181 L CA -0.992 53.804 54.840 -0.073 0.000 0.833 181 L CB 1.580 43.604 42.059 -0.058 0.000 1.236 181 L HN 0.302 nan 8.230 nan 0.000 0.410 182 V N 1.008 120.917 119.914 -0.009 0.000 3.553 182 V HA 0.920 5.042 4.120 0.003 0.000 0.287 182 V C 0.546 176.617 176.094 -0.040 0.000 1.111 182 V CA -0.493 61.812 62.300 0.008 0.000 0.950 182 V CB 1.627 33.462 31.823 0.020 0.000 1.243 182 V HN 0.879 nan 8.190 nan 0.000 0.443 183 G N -0.753 108.013 108.800 -0.057 0.000 2.596 183 G HA2 0.475 4.436 3.960 0.003 0.000 0.296 183 G HA3 0.475 4.436 3.960 0.003 0.000 0.296 183 G C -1.069 173.717 174.900 -0.189 0.000 1.513 183 G CA 0.009 44.989 45.100 -0.201 0.000 0.851 183 G HN 0.669 nan 8.290 nan 0.000 0.548 184 S N -0.446 115.119 115.700 -0.225 0.000 2.694 184 S HA 0.902 5.373 4.470 0.003 0.000 0.278 184 S C -1.123 173.375 174.600 -0.169 0.000 1.152 184 S CA -0.490 57.661 58.200 -0.081 0.000 1.010 184 S CB 0.906 64.081 63.200 -0.043 0.000 1.104 184 S HN 0.540 nan 8.310 nan 0.000 0.547 185 W N 1.012 122.320 121.300 0.014 0.000 3.419 185 W HA 0.464 5.126 4.660 0.003 0.000 0.298 185 W C -0.427 176.095 176.519 0.006 0.000 1.260 185 W CA -0.560 56.793 57.345 0.012 0.000 1.199 185 W CB 1.658 31.128 29.460 0.018 0.000 1.349 185 W HN 0.812 nan 8.180 nan 0.000 0.557 200 R N 1.311 122.018 120.500 0.346 0.000 2.312 200 R HA 0.665 5.006 4.340 0.003 0.000 0.311 200 R C -1.343 175.117 176.300 0.266 0.000 1.004 200 R CA -0.351 55.925 56.100 0.293 0.000 0.902 200 R CB 1.414 31.891 30.300 0.294 0.000 1.073 200 R HN 0.085 nan 8.270 nan 0.000 0.457 201 V N 5.811 125.831 119.914 0.177 0.000 2.465 201 V HA 0.210 4.332 4.120 0.003 0.000 0.279 201 V C 0.168 176.355 176.094 0.155 0.000 1.045 201 V CA -0.795 61.588 62.300 0.138 0.000 0.938 201 V CB 1.146 33.031 31.823 0.103 0.000 0.986 201 V HN 0.646 nan 8.190 nan 0.000 0.467 202 L N 4.523 125.835 121.223 0.147 0.000 2.385 202 L HA 0.256 4.597 4.340 0.003 0.000 0.281 202 L C 0.855 177.855 176.870 0.216 0.000 1.106 202 L CA 0.941 55.880 54.840 0.163 0.000 0.856 202 L CB 0.900 43.037 42.059 0.131 0.000 1.186 202 L HN 0.757 nan 8.230 nan 0.000 0.453 203 S N 1.501 117.309 115.700 0.180 0.000 2.585 203 S HA 0.114 4.585 4.470 0.003 0.000 0.273 203 S C 1.469 176.151 174.600 0.137 0.000 1.339 203 S CA -0.248 58.058 58.200 0.177 0.000 1.028 203 S CB 0.863 64.124 63.200 0.102 0.000 0.906 203 S HN 0.778 nan 8.310 nan 0.000 0.528 204 T N 2.979 117.530 114.554 -0.005 0.000 2.684 204 T HA -0.145 4.206 4.350 0.003 0.000 0.267 204 T C 1.587 176.221 174.700 -0.111 0.000 1.036 204 T CA 1.719 63.645 62.100 -0.290 0.000 1.148 204 T CB -0.471 67.977 68.868 -0.701 0.000 0.863 204 T HN 0.810 nan 8.240 nan 0.000 0.436 205 E N 0.434 120.593 120.200 -0.067 0.000 2.338 205 E HA -0.124 4.227 4.350 0.003 0.000 0.197 205 E C 2.265 178.861 176.600 -0.007 0.000 1.007 205 E CA 0.431 56.814 56.400 -0.029 0.000 0.849 205 E CB 0.093 29.782 29.700 -0.019 0.000 0.774 205 E HN 0.411 nan 8.360 nan 0.000 0.506 206 E N 0.211 120.413 120.200 0.003 0.000 2.031 206 E HA -0.184 4.167 4.350 0.003 0.000 0.193 206 E C 2.074 178.655 176.600 -0.030 0.000 0.994 206 E CA 1.008 57.403 56.400 -0.008 0.000 0.800 206 E CB -0.047 29.657 29.700 0.008 0.000 0.752 206 E HN 0.329 nan 8.360 nan 0.000 0.447 207 I N 1.622 122.185 120.570 -0.011 0.000 2.252 207 I HA -0.244 3.928 4.170 0.003 0.000 0.245 207 I C 2.542 178.663 176.117 0.006 0.000 1.102 207 I CA 0.571 61.837 61.300 -0.057 0.000 1.385 207 I CB -0.419 37.606 38.000 0.043 0.000 1.064 207 I HN 0.126 nan 8.210 nan 0.000 0.414 208 L N 0.942 122.207 121.223 0.070 0.000 1.963 208 L HA -0.341 4.001 4.340 0.003 0.000 0.220 208 L C 2.324 179.235 176.870 0.067 0.000 1.076 208 L CA 2.611 57.513 54.840 0.104 0.000 0.772 208 L CB -0.637 41.455 42.059 0.055 0.000 0.892 208 L HN 0.360 nan 8.230 nan 0.000 0.435 209 N N -0.308 118.396 118.700 0.007 0.000 2.289 209 N HA -0.184 4.558 4.740 0.003 0.000 0.184 209 N C 1.655 177.153 175.510 -0.022 0.000 1.016 209 N CA 1.162 54.193 53.050 -0.032 0.000 0.872 209 N CB -0.038 38.434 38.487 -0.025 0.000 0.973 209 N HN 0.335 nan 8.380 nan 0.000 0.433 210 I N -0.367 120.179 120.570 -0.039 0.000 2.286 210 I HA -0.151 4.021 4.170 0.003 0.000 0.245 210 I C 1.363 177.463 176.117 -0.027 0.000 1.104 210 I CA 0.908 62.163 61.300 -0.075 0.000 1.397 210 I CB -1.188 36.692 38.000 -0.201 0.000 1.072 210 I HN 0.095 nan 8.210 nan 0.000 0.417 211 F N 1.396 121.349 119.950 0.005 0.000 2.325 211 F HA -0.085 4.444 4.527 0.003 0.000 0.299 211 F C 2.503 178.297 175.800 -0.011 0.000 1.090 211 F CA 0.932 58.928 58.000 -0.005 0.000 1.392 211 F CB -0.697 38.298 39.000 -0.007 0.000 1.053 211 F HN 0.053 nan 8.300 nan 0.000 0.521 212 K N -0.864 119.621 120.400 0.142 0.000 2.097 212 K HA -0.169 4.152 4.320 0.003 0.000 0.206 212 K C 1.557 178.162 176.600 0.009 0.000 1.049 212 K CA 1.188 57.488 56.287 0.021 0.000 0.933 212 K CB -0.133 32.312 32.500 -0.092 0.000 0.717 212 K HN 0.190 nan 8.250 nan 0.000 0.442 213 H N 0.038 119.140 119.070 0.053 0.000 2.533 213 H HA 0.086 4.644 4.556 0.003 0.000 0.271 213 H C 0.147 175.458 175.328 -0.029 0.000 1.000 213 H CA -0.009 56.048 56.048 0.014 0.000 1.149 213 H CB 0.049 29.814 29.762 0.006 0.000 1.375 213 H HN 0.060 nan 8.280 nan 0.000 0.582 214 I N 1.448 122.059 120.570 0.069 0.000 2.710 214 I HA -0.122 4.050 4.170 0.003 0.000 0.286 214 I C 1.246 177.177 176.117 -0.310 0.000 1.181 214 I CA 0.407 61.642 61.300 -0.108 0.000 1.430 214 I CB 0.457 38.391 38.000 -0.110 0.000 1.367 214 I HN 0.100 nan 8.210 nan 0.000 0.577 215 S N 4.611 120.120 115.700 -0.317 0.000 2.579 215 S HA 0.126 4.598 4.470 0.003 0.000 0.275 215 S C 1.388 175.666 174.600 -0.537 0.000 1.345 215 S CA -0.737 57.279 58.200 -0.307 0.000 1.031 215 S CB 0.997 64.081 63.200 -0.192 0.000 0.892 215 S HN 0.339 nan 8.310 nan 0.000 0.529 216 V N 4.847 124.584 119.914 -0.296 0.000 2.261 216 V HA -0.104 4.017 4.120 0.003 0.000 0.246 216 V C 2.338 178.344 176.094 -0.146 0.000 1.047 216 V CA 1.768 63.960 62.300 -0.181 0.000 1.015 216 V CB -0.707 31.119 31.823 0.006 0.000 0.642 216 V HN 0.847 nan 8.190 nan 0.000 0.446 217 K N -0.262 120.072 120.400 -0.111 0.000 2.525 217 K HA -0.080 4.241 4.320 0.003 0.000 0.192 217 K C 1.422 177.966 176.600 -0.093 0.000 1.029 217 K CA 0.579 56.834 56.287 -0.055 0.000 1.029 217 K CB -0.106 32.373 32.500 -0.035 0.000 0.814 217 K HN 0.473 nan 8.250 nan 0.000 0.503 218 D N 0.023 120.282 120.400 -0.235 0.000 2.234 218 D HA -0.075 4.566 4.640 0.003 0.000 0.205 218 D C 1.317 177.517 176.300 -0.168 0.000 0.962 218 D CA 0.842 54.705 54.000 -0.229 0.000 0.855 218 D CB -0.019 40.597 40.800 -0.307 0.000 0.951 218 D HN 0.140 nan 8.370 nan 0.000 0.500 219 F N 1.148 121.056 119.950 -0.069 0.000 2.009 219 F HA -0.166 4.363 4.527 0.003 0.000 0.293 219 F C 2.662 178.505 175.800 0.072 0.000 1.156 219 F CA 1.042 58.984 58.000 -0.097 0.000 1.168 219 F CB -0.933 38.006 39.000 -0.103 0.000 0.981 219 F HN -0.143 nan 8.300 nan 0.000 0.475 220 T N -0.043 114.697 114.554 0.310 0.000 2.760 220 T HA -0.228 4.124 4.350 0.003 0.000 0.269 220 T C 2.015 176.818 174.700 0.172 0.000 1.047 220 T CA 1.629 63.858 62.100 0.216 0.000 1.139 220 T CB -0.641 68.315 68.868 0.147 0.000 0.855 220 T HN 0.342 nan 8.240 nan 0.000 0.471 221 S N 2.523 118.305 115.700 0.135 0.000 2.382 221 S HA -0.072 4.400 4.470 0.003 0.000 0.228 221 S C 1.697 176.398 174.600 0.169 0.000 1.027 221 S CA 0.965 59.230 58.200 0.109 0.000 0.991 221 S CB -0.629 62.602 63.200 0.051 0.000 0.823 221 S HN 0.578 nan 8.310 nan 0.000 0.469 222 L N -0.390 120.983 121.223 0.250 0.000 2.685 222 L HA 0.675 5.016 4.340 0.003 0.000 0.233 222 L C 0.924 178.148 176.870 0.591 0.000 1.173 222 L CA 0.119 55.215 54.840 0.427 0.000 0.961 222 L CB -0.972 41.336 42.059 0.414 0.000 1.217 222 L HN 0.302 nan 8.230 nan 0.000 0.478 223 G N -0.931 108.101 108.800 0.388 0.000 2.545 223 G HA2 -0.242 3.720 3.960 0.003 0.000 0.279 223 G HA3 -0.242 3.720 3.960 0.003 0.000 0.279 223 G C -0.343 174.639 174.900 0.135 0.000 1.131 223 G CA -0.011 45.218 45.100 0.215 0.000 1.100 223 G HN 0.197 nan 8.290 nan 0.000 0.525 224 F N -0.305 119.655 119.950 0.016 0.000 3.208 224 F HA 0.734 5.262 4.527 0.003 0.000 0.286 224 F C 1.121 176.888 175.800 -0.055 0.000 1.532 224 F CA -0.752 57.212 58.000 -0.061 0.000 1.004 224 F CB 1.142 40.076 39.000 -0.110 0.000 1.777 224 F HN 0.167 nan 8.300 nan 0.000 0.384 225 N N -0.108 118.675 118.700 0.139 0.000 2.971 225 N HA 0.066 4.807 4.740 0.003 0.000 0.193 225 N C -0.025 175.523 175.510 0.062 0.000 1.259 225 N CA 0.392 53.479 53.050 0.062 0.000 1.656 225 N CB 0.125 38.611 38.487 -0.001 0.000 1.566 225 N HN 0.625 nan 8.380 nan 0.000 0.631 226 E N -1.060 119.127 120.200 -0.022 0.000 4.115 226 E HA -0.417 3.935 4.350 0.003 0.000 0.209 226 E C 0.496 177.081 176.600 -0.025 0.000 1.290 226 E CA 3.104 59.476 56.400 -0.047 0.000 2.168 226 E CB -0.986 28.775 29.700 0.102 0.000 1.888 226 E HN 0.183 nan 8.360 nan 0.000 0.272 227 V N -0.643 119.388 119.914 0.195 0.000 3.354 227 V HA 0.084 4.205 4.120 0.003 0.000 0.258 227 V C 1.813 178.134 176.094 0.379 0.000 1.159 227 V CA 1.506 63.984 62.300 0.296 0.000 1.125 227 V CB -0.312 31.669 31.823 0.264 0.000 0.774 227 V HN 0.313 nan 8.190 nan 0.000 0.464 228 F N 1.276 121.319 119.950 0.156 0.000 2.437 228 F HA 0.243 4.771 4.527 0.002 0.000 0.288 228 F C 1.210 177.163 175.800 0.256 0.000 1.085 228 F CA 0.732 58.816 58.000 0.140 0.000 1.430 228 F CB 0.557 39.575 39.000 0.031 0.000 1.120 228 F HN 0.262 nan 8.300 nan 0.000 0.556 229 S N -0.109 115.809 115.700 0.362 0.000 2.566 229 S HA 0.687 5.159 4.470 0.003 0.000 0.273 229 S C -0.985 173.546 174.600 -0.115 0.000 1.157 229 S CA -0.830 57.526 58.200 0.260 0.000 0.938 229 S CB 2.303 65.543 63.200 0.066 0.000 1.087 229 S HN 0.142 nan 8.310 nan 0.000 0.474 230 R N 2.149 122.323 120.500 -0.543 0.000 2.621 230 R HA 0.463 4.805 4.340 0.003 0.000 0.284 230 R C -2.476 173.398 176.300 -0.710 0.000 0.998 230 R CA -2.295 53.155 56.100 -1.083 0.000 0.895 230 R CB 2.064 31.246 30.300 -1.863 0.000 1.195 230 R HN 0.342 nan 8.270 nan 0.000 0.450 231 P HA -0.231 nan 4.420 nan 0.000 0.222 231 P C 0.681 177.754 177.300 -0.378 0.000 1.142 231 P CA 1.096 63.789 63.100 -0.679 0.000 0.788 231 P CB 0.249 31.144 31.700 -1.342 0.000 0.767 232 E N -1.619 118.403 120.200 -0.297 0.000 2.427 232 E HA -0.144 4.207 4.350 0.003 0.000 0.196 232 E C 0.897 177.607 176.600 0.183 0.000 1.028 232 E CA 0.725 57.109 56.400 -0.027 0.000 0.864 232 E CB -0.652 29.040 29.700 -0.013 0.000 0.813 232 E HN 0.312 nan 8.360 nan 0.000 0.514 233 W N 0.599 121.889 121.300 -0.017 0.000 2.630 233 W HA 0.298 4.960 4.660 0.003 0.000 0.271 233 W C 2.131 178.674 176.519 0.039 0.000 1.244 233 W CA -0.382 56.976 57.345 0.021 0.000 1.353 233 W CB -0.857 28.601 29.460 -0.003 0.000 1.080 233 W HN 0.052 nan 8.180 nan 0.000 0.594 234 M N 1.000 120.688 119.600 0.147 0.000 2.337 234 M HA -0.133 4.349 4.480 0.003 0.000 0.261 234 M C 0.117 176.553 176.300 0.227 0.000 1.067 234 M CA 1.385 56.705 55.300 0.033 0.000 1.074 234 M CB -0.301 32.196 32.600 -0.172 0.000 1.395 234 M HN -0.193 nan 8.290 nan 0.000 0.431 235 I N -1.425 119.287 120.570 0.237 0.000 2.460 235 I HA 0.337 4.509 4.170 0.003 0.000 0.298 235 I C -0.819 175.439 176.117 0.235 0.000 0.989 235 I CA -0.825 60.630 61.300 0.259 0.000 1.173 235 I CB 0.946 39.066 38.000 0.200 0.000 1.338 235 I HN -0.124 nan 8.210 nan 0.000 0.456 236 L N 5.148 126.494 121.223 0.204 0.000 2.315 236 L HA 0.290 4.632 4.340 0.003 0.000 0.283 236 L C 0.792 177.716 176.870 0.090 0.000 1.089 236 L CA 0.158 55.096 54.840 0.163 0.000 0.833 236 L CB 0.820 42.956 42.059 0.129 0.000 1.170 236 L HN 0.905 nan 8.230 nan 0.000 0.442 237 T N 0.399 115.014 114.554 0.102 0.000 3.004 237 T HA 0.007 4.358 4.350 0.003 0.000 0.243 237 T C 0.230 174.958 174.700 0.047 0.000 1.020 237 T CA 0.195 62.339 62.100 0.072 0.000 1.145 237 T CB 0.242 69.169 68.868 0.099 0.000 0.876 237 T HN 0.539 nan 8.240 nan 0.000 0.449 238 C N 2.528 121.856 119.300 0.046 0.000 2.571 238 C HA 0.693 5.155 4.460 0.003 0.000 0.343 238 C C -0.809 174.183 174.990 0.004 0.000 1.082 238 C CA -1.447 57.590 59.018 0.032 0.000 1.339 238 C CB -0.713 27.056 27.740 0.048 0.000 1.893 238 C HN 0.511 nan 8.230 nan 0.000 0.445 239 L N 9.357 130.570 121.223 -0.016 0.000 2.360 239 L HA 0.547 4.888 4.340 0.003 0.000 0.276 239 L C -2.001 174.838 176.870 -0.051 0.000 1.121 239 L CA -0.872 53.940 54.840 -0.046 0.000 0.845 239 L CB 0.753 42.764 42.059 -0.079 0.000 1.143 239 L HN 0.465 nan 8.230 nan 0.000 0.452 240 P HA 0.130 nan 4.420 nan 0.000 0.279 240 P C -1.239 176.148 177.300 0.146 0.000 1.239 240 P CA -0.255 62.817 63.100 -0.047 0.000 0.789 240 P CB 1.288 32.746 31.700 -0.403 0.000 0.933 241 V N 4.970 125.033 119.914 0.250 0.000 2.311 241 V HA 0.238 4.360 4.120 0.003 0.000 0.275 241 V C -1.963 174.146 176.094 0.025 0.000 1.022 241 V CA -2.072 60.303 62.300 0.124 0.000 0.830 241 V CB 0.909 32.750 31.823 0.030 0.000 1.012 241 V HN 0.528 nan 8.190 nan 0.000 0.452 242 P HA 0.214 nan 4.420 nan 0.000 0.271 242 P C -2.428 174.671 177.300 -0.334 0.000 1.233 242 P CA -1.277 61.656 63.100 -0.278 0.000 0.764 242 P CB 0.371 32.082 31.700 0.018 0.000 0.825 243 P HA 0.040 nan 4.420 nan 0.000 0.271 243 P C -1.728 175.437 177.300 -0.226 0.000 1.238 243 P CA -1.182 61.702 63.100 -0.360 0.000 0.794 243 P CB -0.549 30.890 31.700 -0.436 0.000 0.959 244 P HA -0.157 nan 4.420 nan 0.000 0.216 244 P C -1.192 176.036 177.300 -0.120 0.000 1.167 244 P CA 2.829 65.851 63.100 -0.130 0.000 0.914 244 P CB -2.322 29.306 31.700 -0.118 0.000 0.793 245 P HA -0.053 nan 4.420 nan 0.000 0.234 245 P C 0.887 178.134 177.300 -0.089 0.000 1.162 245 P CA 0.886 63.927 63.100 -0.099 0.000 0.759 245 P CB -0.521 31.121 31.700 -0.097 0.000 0.813 246 V N -1.388 118.465 119.914 -0.101 0.000 3.643 246 V HA 0.158 4.280 4.120 0.003 0.000 0.280 246 V C 0.836 176.887 176.094 -0.070 0.000 1.351 246 V CA 0.175 62.428 62.300 -0.078 0.000 1.073 246 V CB -0.715 31.061 31.823 -0.079 0.000 0.863 246 V HN 0.228 nan 8.190 nan 0.000 0.436 247 R N -1.083 119.369 120.500 -0.080 0.000 2.891 247 R HA 0.334 4.676 4.340 0.003 0.000 0.202 247 R C -3.194 173.051 176.300 -0.092 0.000 1.510 247 R CA -0.919 55.133 56.100 -0.081 0.000 1.294 247 R CB -0.185 30.077 30.300 -0.064 0.000 1.556 247 R HN 0.138 nan 8.270 nan 0.000 0.694 248 P HA 0.138 nan 4.420 nan 0.000 0.231 248 P C 0.073 177.313 177.300 -0.101 0.000 1.257 248 P CA 0.617 63.662 63.100 -0.091 0.000 0.656 248 P CB 0.315 31.965 31.700 -0.083 0.000 0.993 249 S N -2.288 113.350 115.700 -0.103 0.000 3.856 249 S HA 0.381 4.853 4.470 0.003 0.000 0.290 249 S C -0.626 173.900 174.600 -0.122 0.000 1.095 249 S CA -0.382 57.748 58.200 -0.116 0.000 1.307 249 S CB -0.522 62.618 63.200 -0.100 0.000 1.721 249 S HN 0.593 nan 8.310 nan 0.000 0.462 250 I N 0.557 121.048 120.570 -0.130 0.000 5.961 250 I HA -0.079 4.093 4.170 0.003 0.000 0.126 250 I C -0.100 175.910 176.117 -0.178 0.000 1.317 250 I CA 0.889 62.102 61.300 -0.146 0.000 2.555 250 I CB -2.370 35.568 38.000 -0.103 0.000 2.414 250 I HN 1.690 nan 8.210 nan 0.000 0.302 251 S N 4.129 119.687 115.700 -0.237 0.000 4.267 251 S HA 0.507 4.979 4.470 0.003 0.000 0.252 251 S C 0.455 174.943 174.600 -0.187 0.000 1.024 251 S CA -0.038 58.013 58.200 -0.250 0.000 1.207 251 S CB 0.004 62.949 63.200 -0.424 0.000 1.873 251 S HN 1.492 nan 8.310 nan 0.000 0.562 252 F N 4.098 124.040 119.950 -0.014 0.000 2.771 252 F HA 0.296 4.824 4.527 0.002 0.000 0.299 252 F C 0.926 176.721 175.800 -0.009 0.000 1.177 252 F CA -0.313 57.681 58.000 -0.010 0.000 1.450 252 F CB -1.385 37.611 39.000 -0.008 0.000 1.114 252 F HN 0.453 nan 8.300 nan 0.000 0.587 253 N N 0.786 119.354 118.700 -0.221 0.000 2.224 253 N HA -0.063 4.678 4.740 0.003 0.000 0.265 253 N C -0.232 175.265 175.510 -0.021 0.000 1.278 253 N CA 0.215 53.170 53.050 -0.158 0.000 0.924 253 N CB -0.658 37.672 38.487 -0.262 0.000 1.006 253 N HN 0.185 nan 8.380 nan 0.000 0.452 254 E N -2.693 117.485 120.200 -0.036 0.000 4.675 254 E HA -0.109 4.243 4.350 0.003 0.000 0.163 254 E C -0.581 176.028 176.600 0.016 0.000 1.720 254 E CA 0.574 56.968 56.400 -0.011 0.000 1.052 254 E CB -1.562 28.133 29.700 -0.009 0.000 1.047 254 E HN 0.485 nan 8.360 nan 0.000 0.344 255 S N 1.474 117.183 115.700 0.015 0.000 2.548 255 S HA 0.060 4.531 4.470 0.003 0.000 0.215 255 S C 0.172 174.767 174.600 -0.008 0.000 0.976 255 S CA 0.177 58.376 58.200 -0.001 0.000 0.908 255 S CB 0.262 63.464 63.200 0.002 0.000 0.781 255 S HN 0.373 nan 8.310 nan 0.000 0.519 256 Q N 0.683 120.487 119.800 0.006 0.000 2.309 256 Q HA 0.506 4.848 4.340 0.003 0.000 0.270 256 Q C 0.406 176.375 176.000 -0.052 0.000 1.023 256 Q CA -0.408 55.397 55.803 0.003 0.000 0.758 256 Q CB 1.317 30.084 28.738 0.049 0.000 1.247 256 Q HN 0.358 nan 8.270 nan 0.000 0.455 257 R N 0.869 121.275 120.500 -0.156 0.000 2.068 257 R HA 0.119 4.461 4.340 0.003 0.000 0.115 257 R C 0.334 176.554 176.300 -0.134 0.000 0.829 257 R CA -0.029 56.009 56.100 -0.102 0.000 2.308 257 R CB -0.381 29.899 30.300 -0.032 0.000 1.371 257 R HN 0.631 nan 8.270 nan 0.000 0.490 258 G N 2.462 111.143 108.800 -0.199 0.000 2.862 258 G HA2 -0.192 3.770 3.960 0.003 0.000 0.334 258 G HA3 -0.192 3.770 3.960 0.003 0.000 0.334 258 G C -0.536 174.281 174.900 -0.138 0.000 0.154 258 G CA 0.476 45.459 45.100 -0.196 0.000 1.240 258 G HN 0.349 nan 8.290 nan 0.000 0.465 259 E N 1.757 121.875 120.200 -0.136 0.000 2.293 259 E HA 0.267 4.619 4.350 0.003 0.000 0.270 259 E C -0.379 176.034 176.600 -0.313 0.000 0.879 259 E CA -0.828 55.470 56.400 -0.169 0.000 0.756 259 E CB 1.940 31.595 29.700 -0.075 0.000 1.208 259 E HN 0.560 nan 8.360 nan 0.000 0.428 260 D N 1.019 121.262 120.400 -0.262 0.000 2.339 260 D HA 0.057 4.699 4.640 0.003 0.000 0.245 260 D C 0.209 176.282 176.300 -0.378 0.000 1.115 260 D CA -0.003 53.833 54.000 -0.274 0.000 0.917 260 D CB 0.999 41.697 40.800 -0.170 0.000 1.192 260 D HN 0.256 nan 8.370 nan 0.000 0.428 261 D N 0.817 121.015 120.400 -0.337 0.000 2.355 261 D HA 0.027 4.669 4.640 0.003 0.000 0.218 261 D C 1.632 177.841 176.300 -0.152 0.000 1.004 261 D CA 0.259 54.035 54.000 -0.372 0.000 0.880 261 D CB 0.253 40.907 40.800 -0.243 0.000 0.911 261 D HN 0.258 nan 8.370 nan 0.000 0.528 262 L N -0.024 121.145 121.223 -0.089 0.000 2.446 262 L HA 0.003 4.345 4.340 0.003 0.000 0.219 262 L C 1.534 178.451 176.870 0.079 0.000 1.116 262 L CA 0.768 55.625 54.840 0.027 0.000 0.844 262 L CB -0.065 42.007 42.059 0.020 0.000 0.970 262 L HN 0.010 nan 8.230 nan 0.000 0.457 263 T N -1.255 113.303 114.554 0.008 0.000 3.085 263 T HA -0.032 4.320 4.350 0.003 0.000 0.263 263 T C 1.604 176.427 174.700 0.206 0.000 1.127 263 T CA 0.624 62.759 62.100 0.059 0.000 1.103 263 T CB -0.112 68.760 68.868 0.006 0.000 0.921 263 T HN 0.203 nan 8.240 nan 0.000 0.510 264 F N 1.464 121.409 119.950 -0.009 0.000 2.118 264 F HA 0.058 4.586 4.527 0.003 0.000 0.293 264 F C 2.598 178.372 175.800 -0.043 0.000 1.102 264 F CA 0.477 58.462 58.000 -0.025 0.000 1.247 264 F CB 0.039 39.023 39.000 -0.026 0.000 1.017 264 F HN 0.018 nan 8.300 nan 0.000 0.475 265 K N 0.262 120.771 120.400 0.182 0.000 2.211 265 K HA -0.128 4.193 4.320 0.003 0.000 0.203 265 K C 1.851 178.444 176.600 -0.011 0.000 1.050 265 K CA 0.404 56.721 56.287 0.050 0.000 0.945 265 K CB -0.084 32.489 32.500 0.121 0.000 0.732 265 K HN 0.180 nan 8.250 nan 0.000 0.451 266 L N 0.332 121.566 121.223 0.017 0.000 2.261 266 L HA -0.187 4.155 4.340 0.003 0.000 0.216 266 L C 2.101 178.951 176.870 -0.033 0.000 1.114 266 L CA 1.593 56.399 54.840 -0.058 0.000 0.777 266 L CB -0.903 41.148 42.059 -0.013 0.000 0.910 266 L HN 0.200 nan 8.230 nan 0.000 0.440 267 A N -0.989 121.834 122.820 0.005 0.000 1.901 267 A HA -0.082 4.240 4.320 0.003 0.000 0.210 267 A C 1.845 179.417 177.584 -0.020 0.000 1.208 267 A CA 0.644 52.678 52.037 -0.005 0.000 0.644 267 A CB -0.283 18.717 19.000 0.000 0.000 0.863 267 A HN 0.267 nan 8.150 nan 0.000 0.454 268 D N 0.397 120.762 120.400 -0.058 0.000 2.190 268 D HA -0.163 4.479 4.640 0.003 0.000 0.200 268 D C 1.679 178.062 176.300 0.138 0.000 0.992 268 D CA 1.172 55.119 54.000 -0.088 0.000 0.854 268 D CB -0.253 40.291 40.800 -0.426 0.000 0.936 268 D HN 0.513 nan 8.370 nan 0.000 0.462 269 I N -0.130 120.482 120.570 0.069 0.000 2.193 269 I HA -0.182 3.990 4.170 0.003 0.000 0.240 269 I C 2.397 178.533 176.117 0.031 0.000 1.084 269 I CA 0.468 61.818 61.300 0.083 0.000 1.365 269 I CB 0.006 37.977 38.000 -0.048 0.000 1.064 269 I HN -0.044 nan 8.210 nan 0.000 0.410 270 L N 0.786 122.001 121.223 -0.013 0.000 2.141 270 L HA -0.229 4.112 4.340 0.003 0.000 0.209 270 L C 2.511 179.371 176.870 -0.018 0.000 1.094 270 L CA 1.456 56.277 54.840 -0.031 0.000 0.763 270 L CB -0.278 41.755 42.059 -0.043 0.000 0.908 270 L HN 0.156 nan 8.230 nan 0.000 0.437 271 K N -0.180 120.224 120.400 0.007 0.000 2.057 271 K HA -0.131 4.191 4.320 0.003 0.000 0.206 271 K C 1.782 178.394 176.600 0.020 0.000 1.050 271 K CA 1.297 57.591 56.287 0.011 0.000 0.935 271 K CB -0.165 32.346 32.500 0.019 0.000 0.715 271 K HN 0.299 nan 8.250 nan 0.000 0.439 272 A N 0.333 123.184 122.820 0.052 0.000 2.235 272 A HA -0.029 4.293 4.320 0.003 0.000 0.208 272 A C 1.509 179.097 177.584 0.007 0.000 1.172 272 A CA 1.070 53.129 52.037 0.037 0.000 0.786 272 A CB -0.517 18.515 19.000 0.055 0.000 0.804 272 A HN 0.480 nan 8.150 nan 0.000 0.479 273 N N -0.292 118.405 118.700 -0.004 0.000 2.368 273 N HA 0.148 4.890 4.740 0.003 0.000 0.178 273 N C 0.509 175.997 175.510 -0.036 0.000 1.021 273 N CA 0.347 53.382 53.050 -0.025 0.000 0.875 273 N CB 0.008 38.472 38.487 -0.039 0.000 1.020 273 N HN 0.351 nan 8.380 nan 0.000 0.433 274 I N 0.782 121.324 120.570 -0.047 0.000 2.280 274 I HA 0.048 4.220 4.170 0.003 0.000 0.287 274 I C 0.587 176.685 176.117 -0.031 0.000 1.121 274 I CA 0.257 61.523 61.300 -0.056 0.000 1.798 274 I CB -0.229 37.716 38.000 -0.092 0.000 1.489 274 I HN 0.182 nan 8.210 nan 0.000 0.805 275 S N 2.321 118.009 115.700 -0.020 0.000 2.483 275 S HA 0.206 4.678 4.470 0.003 0.000 0.280 275 S C 0.677 175.272 174.600 -0.007 0.000 1.059 275 S CA -0.083 58.111 58.200 -0.010 0.000 1.359 275 S CB 0.263 63.460 63.200 -0.005 0.000 1.171 275 S HN 0.402 nan 8.310 nan 0.000 0.625 276 L N 1.860 123.078 121.223 -0.009 0.000 2.910 276 L HA 0.583 4.925 4.340 0.003 0.000 0.252 276 L C 1.260 178.135 176.870 0.007 0.000 1.195 276 L CA 0.395 55.234 54.840 -0.002 0.000 1.003 276 L CB 0.587 42.644 42.059 -0.004 0.000 1.328 276 L HN 0.218 nan 8.230 nan 0.000 0.540 277 E N -1.463 118.740 120.200 0.004 0.000 2.421 277 E HA 0.146 4.497 4.350 0.003 0.000 0.209 277 E C 0.510 177.130 176.600 0.033 0.000 0.871 277 E CA 0.367 56.779 56.400 0.020 0.000 1.064 277 E CB 0.723 30.412 29.700 -0.019 0.000 1.075 277 E HN 0.232 nan 8.360 nan 0.000 0.513 278 T N 1.102 115.663 114.554 0.011 0.000 3.330 278 T HA 0.293 4.645 4.350 0.003 0.000 0.249 278 T C 1.186 175.891 174.700 0.009 0.000 0.980 278 T CA 0.197 62.305 62.100 0.012 0.000 0.920 278 T CB 0.161 69.029 68.868 -0.000 0.000 1.065 278 T HN 0.017 nan 8.240 nan 0.000 0.588 279 L N -1.098 120.131 121.223 0.010 0.000 2.966 279 L HA 0.327 4.669 4.340 0.003 0.000 0.262 279 L C 2.112 178.972 176.870 -0.016 0.000 1.068 279 L CA 0.191 55.029 54.840 -0.004 0.000 1.004 279 L CB 0.567 42.623 42.059 -0.005 0.000 1.629 279 L HN 0.124 nan 8.230 nan 0.000 0.542 280 E N -0.254 119.946 120.200 -0.000 0.000 2.057 280 E HA -0.009 4.343 4.350 0.003 0.000 0.190 280 E C 0.866 177.411 176.600 -0.091 0.000 0.969 280 E CA 0.531 56.913 56.400 -0.030 0.000 0.812 280 E CB 0.319 30.028 29.700 0.015 0.000 0.777 280 E HN 0.355 nan 8.360 nan 0.000 0.455 281 H N 0.623 119.679 119.070 -0.023 0.000 2.704 281 H HA 0.290 4.847 4.556 0.003 0.000 0.315 281 H C -0.470 174.845 175.328 -0.020 0.000 1.117 281 H CA 0.049 56.084 56.048 -0.021 0.000 1.129 281 H CB -0.035 29.714 29.762 -0.021 0.000 1.439 281 H HN 0.040 nan 8.280 nan 0.000 0.528 282 N N -1.685 117.029 118.700 0.022 0.000 3.243 282 N HA 0.203 4.944 4.740 0.003 0.000 0.280 282 N C -0.316 175.181 175.510 -0.023 0.000 1.545 282 N CA -0.447 52.607 53.050 0.007 0.000 0.854 282 N CB 0.800 39.296 38.487 0.015 0.000 1.612 282 N HN 0.169 nan 8.380 nan 0.000 0.577 283 G N 0.021 108.810 108.800 -0.018 0.000 2.239 283 G HA2 0.353 4.314 3.960 0.003 0.000 0.278 283 G HA3 0.353 4.314 3.960 0.003 0.000 0.278 283 G C -0.261 174.618 174.900 -0.036 0.000 1.071 283 G CA 0.223 45.307 45.100 -0.026 0.000 1.198 283 G HN 0.577 nan 8.290 nan 0.000 0.410 284 A N 5.123 127.905 122.820 -0.063 0.000 2.343 284 A HA 0.589 4.911 4.320 0.003 0.000 0.305 284 A C -1.393 176.132 177.584 -0.099 0.000 1.308 284 A CA -1.284 50.704 52.037 -0.083 0.000 0.949 284 A CB 0.654 19.582 19.000 -0.120 0.000 1.148 284 A HN 0.528 nan 8.150 nan 0.000 0.545 285 P HA 0.223 nan 4.420 nan 0.000 0.211 285 P C 0.683 178.041 177.300 0.096 0.000 1.856 285 P CA -0.257 62.852 63.100 0.014 0.000 0.962 285 P CB -0.167 31.554 31.700 0.034 0.000 1.785 286 H N 0.732 119.827 119.070 0.041 0.000 1.455 286 H HA -0.291 4.267 4.556 0.003 0.000 0.090 286 H C 0.502 175.916 175.328 0.144 0.000 0.584 286 H CA 2.283 58.373 56.048 0.069 0.000 1.901 286 H CB -1.392 28.395 29.762 0.041 0.000 2.257 286 H HN 0.394 nan 8.280 nan 0.000 0.961 287 H N 1.284 120.450 119.070 0.160 0.000 2.519 287 H HA 0.545 5.103 4.556 0.003 0.000 0.289 287 H C 0.894 176.252 175.328 0.051 0.000 1.040 287 H CA 0.899 56.996 56.048 0.082 0.000 1.165 287 H CB 0.187 29.979 29.762 0.050 0.000 1.462 287 H HN 0.492 nan 8.280 nan 0.000 0.555 288 A N -0.681 122.197 122.820 0.096 0.000 2.508 288 A HA 0.225 4.546 4.320 0.003 0.000 0.250 288 A C 1.621 179.213 177.584 0.013 0.000 1.208 288 A CA -0.202 51.853 52.037 0.029 0.000 0.960 288 A CB -0.038 18.985 19.000 0.039 0.000 1.099 288 A HN 0.295 nan 8.150 nan 0.000 0.542 289 I N -0.016 120.569 120.570 0.025 0.000 2.286 289 I HA -0.174 3.998 4.170 0.003 0.000 0.245 289 I C 2.067 178.184 176.117 0.001 0.000 1.104 289 I CA 1.295 62.602 61.300 0.012 0.000 1.397 289 I CB -0.328 37.683 38.000 0.018 0.000 1.072 289 I HN 0.280 nan 8.210 nan 0.000 0.417 290 E N 0.901 121.097 120.200 -0.006 0.000 2.209 290 E HA -0.236 4.116 4.350 0.003 0.000 0.196 290 E C 2.011 178.592 176.600 -0.032 0.000 0.993 290 E CA 0.887 57.275 56.400 -0.020 0.000 0.819 290 E CB -0.112 29.553 29.700 -0.058 0.000 0.745 290 E HN 0.460 nan 8.360 nan 0.000 0.477 291 E N 0.305 120.478 120.200 -0.044 0.000 2.058 291 E HA -0.214 4.138 4.350 0.003 0.000 0.194 291 E C 2.101 178.679 176.600 -0.037 0.000 0.997 291 E CA 1.109 57.481 56.400 -0.046 0.000 0.801 291 E CB -0.077 29.597 29.700 -0.043 0.000 0.746 291 E HN 0.281 nan 8.360 nan 0.000 0.450 292 A N 1.075 123.880 122.820 -0.026 0.000 1.968 292 A HA -0.157 4.165 4.320 0.003 0.000 0.217 292 A C 1.798 179.371 177.584 -0.017 0.000 1.169 292 A CA 0.987 53.009 52.037 -0.025 0.000 0.638 292 A CB -0.299 18.692 19.000 -0.016 0.000 0.812 292 A HN 0.188 nan 8.150 nan 0.000 0.446 293 E N 0.413 120.611 120.200 -0.002 0.000 2.265 293 E HA -0.119 4.232 4.350 0.003 0.000 0.196 293 E C 1.811 178.437 176.600 0.043 0.000 0.996 293 E CA 1.299 57.708 56.400 0.016 0.000 0.832 293 E CB -0.095 29.619 29.700 0.023 0.000 0.756 293 E HN 0.785 nan 8.360 nan 0.000 0.491 294 S N -0.375 115.343 115.700 0.031 0.000 2.511 294 S HA 0.104 4.575 4.470 0.003 0.000 0.214 294 S C 1.165 175.781 174.600 0.027 0.000 0.997 294 S CA -0.171 58.063 58.200 0.055 0.000 0.908 294 S CB 0.361 63.579 63.200 0.031 0.000 0.803 294 S HN 0.007 nan 8.310 nan 0.000 0.504 295 L N 1.374 122.575 121.223 -0.037 0.000 3.062 295 L HA 0.545 4.887 4.340 0.003 0.000 0.255 295 L C 0.645 177.405 176.870 -0.184 0.000 1.274 295 L CA 0.084 54.851 54.840 -0.123 0.000 1.047 295 L CB 1.021 42.981 42.059 -0.166 0.000 1.402 295 L HN 0.314 nan 8.230 nan 0.000 0.550 296 L N -1.366 119.815 121.223 -0.069 0.000 2.694 296 L HA 0.182 4.524 4.340 0.003 0.000 0.228 296 L C 2.119 178.998 176.870 0.015 0.000 1.048 296 L CA 0.776 55.589 54.840 -0.044 0.000 0.887 296 L CB -0.007 42.042 42.059 -0.016 0.000 1.265 296 L HN 0.265 nan 8.230 nan 0.000 0.492 297 Q N -0.165 119.672 119.800 0.062 0.000 2.135 297 Q HA -0.254 4.088 4.340 0.003 0.000 0.204 297 Q C 1.920 178.011 176.000 0.153 0.000 0.981 297 Q CA 2.529 58.410 55.803 0.129 0.000 0.856 297 Q CB -0.797 28.070 28.738 0.215 0.000 0.902 297 Q HN 0.529 nan 8.270 nan 0.000 0.425 298 F N -0.160 119.778 119.950 -0.019 0.000 2.325 298 F HA 0.004 4.533 4.527 0.003 0.000 0.299 298 F C 1.509 177.369 175.800 0.100 0.000 1.090 298 F CA 1.546 59.547 58.000 0.002 0.000 1.392 298 F CB -0.007 38.958 39.000 -0.059 0.000 1.053 298 F HN 0.266 nan 8.300 nan 0.000 0.521 299 H N -1.867 117.222 119.070 0.031 0.000 2.448 299 H HA -0.014 4.544 4.556 0.003 0.000 0.292 299 H C 2.229 177.522 175.328 -0.058 0.000 1.035 299 H CA 0.962 56.977 56.048 -0.054 0.000 1.349 299 H CB 0.105 29.885 29.762 0.030 0.000 1.425 299 H HN 0.109 nan 8.280 nan 0.000 0.539 300 V N 1.013 120.973 119.914 0.077 0.000 2.515 300 V HA -0.186 3.936 4.120 0.003 0.000 0.250 300 V C 2.444 178.558 176.094 0.033 0.000 1.058 300 V CA 1.544 63.866 62.300 0.037 0.000 1.064 300 V CB -0.578 31.243 31.823 -0.003 0.000 0.675 300 V HN 0.483 nan 8.190 nan 0.000 0.461 301 A N -1.058 121.750 122.820 -0.021 0.000 2.235 301 A HA -0.023 4.299 4.320 0.003 0.000 0.208 301 A C 2.199 179.698 177.584 -0.143 0.000 1.172 301 A CA 1.684 53.683 52.037 -0.063 0.000 0.786 301 A CB -0.341 18.642 19.000 -0.027 0.000 0.804 301 A HN 0.495 nan 8.150 nan 0.000 0.479 302 T N -2.693 111.764 114.554 -0.163 0.000 3.114 302 T HA 0.043 4.395 4.350 0.003 0.000 0.240 302 T C 1.631 176.312 174.700 -0.033 0.000 0.983 302 T CA 0.675 62.676 62.100 -0.165 0.000 1.151 302 T CB -0.450 68.230 68.868 -0.314 0.000 0.974 302 T HN 0.524 nan 8.240 nan 0.000 0.442 303 Y N 1.551 121.790 120.300 -0.101 0.000 2.219 303 Y HA -0.277 4.274 4.550 0.002 0.000 0.283 303 Y C 2.112 177.983 175.900 -0.048 0.000 1.191 303 Y CA 1.683 59.746 58.100 -0.060 0.000 1.199 303 Y CB -0.248 38.186 38.460 -0.043 0.000 0.972 303 Y HN 0.143 nan 8.280 nan 0.000 0.527 304 M N -0.116 119.433 119.600 -0.084 0.000 2.287 304 M HA 0.097 4.579 4.480 0.003 0.000 0.266 304 M C -0.668 175.579 176.300 -0.088 0.000 1.079 304 M CA 1.332 56.538 55.300 -0.157 0.000 1.146 304 M CB 0.339 32.896 32.600 -0.072 0.000 1.374 304 M HN 0.354 nan 8.290 nan 0.000 0.435 305 D N -0.654 119.710 120.400 -0.060 0.000 2.722 305 D HA 0.236 4.878 4.640 0.003 0.000 0.231 305 D C -1.911 174.362 176.300 -0.045 0.000 1.218 305 D CA -0.401 53.583 54.000 -0.027 0.000 0.753 305 D CB 0.720 41.548 40.800 0.046 0.000 1.471 305 D HN 0.402 nan 8.370 nan 0.000 0.455 306 N N 1.692 120.370 118.700 -0.036 0.000 2.655 306 N HA 0.451 5.192 4.740 0.003 0.000 0.277 306 N C -1.393 174.111 175.510 -0.009 0.000 1.177 306 N CA -0.578 52.454 53.050 -0.031 0.000 0.882 306 N CB 1.788 40.245 38.487 -0.050 0.000 1.481 306 N HN 0.160 nan 8.380 nan 0.000 0.547 307 D N 2.003 122.405 120.400 0.005 0.000 2.520 307 D HA 0.084 4.726 4.640 0.003 0.000 0.386 307 D C -0.512 175.802 176.300 0.022 0.000 1.267 307 D CA -0.072 53.935 54.000 0.011 0.000 0.958 307 D CB 0.749 41.548 40.800 -0.001 0.000 1.462 307 D HN 0.527 nan 8.370 nan 0.000 0.438 308 I N 2.163 122.751 120.570 0.030 0.000 2.664 308 I HA 0.197 4.368 4.170 0.003 0.000 0.284 308 I C 1.157 177.304 176.117 0.049 0.000 1.154 308 I CA -0.279 61.044 61.300 0.039 0.000 1.402 308 I CB 0.109 38.136 38.000 0.045 0.000 1.395 308 I HN -0.056 nan 8.210 nan 0.000 0.545 309 A N 5.034 127.878 122.820 0.039 0.000 2.598 309 A HA 0.408 4.729 4.320 0.003 0.000 0.239 309 A C 1.217 178.832 177.584 0.051 0.000 1.032 309 A CA 0.901 52.962 52.037 0.040 0.000 0.760 309 A CB -0.670 18.347 19.000 0.029 0.000 0.946 309 A HN 1.302 nan 8.150 nan 0.000 0.512 310 G N 1.507 110.340 108.800 0.055 0.000 1.838 310 G HA2 0.115 4.076 3.960 0.003 0.000 0.067 310 G HA3 0.115 4.076 3.960 0.003 0.000 0.067 310 G C -0.363 174.580 174.900 0.072 0.000 1.666 310 G CA 0.066 45.203 45.100 0.061 0.000 1.135 310 G HN 0.939 nan 8.290 nan 0.000 0.333 311 Q N 1.032 120.903 119.800 0.119 0.000 2.271 311 Q HA 0.486 4.827 4.340 0.003 0.000 0.268 311 Q C -2.128 173.991 176.000 0.199 0.000 1.021 311 Q CA -1.618 54.269 55.803 0.138 0.000 0.802 311 Q CB 3.157 31.965 28.738 0.116 0.000 1.282 311 Q HN 0.331 nan 8.270 nan 0.000 0.431 312 P HA 0.051 nan 4.420 nan 0.000 0.224 312 P C -0.413 176.987 177.300 0.167 0.000 1.190 312 P CA 0.256 63.429 63.100 0.122 0.000 0.644 312 P CB 0.445 32.190 31.700 0.075 0.000 0.895 313 Q N -3.100 116.775 119.800 0.126 0.000 2.611 313 Q HA 0.594 4.935 4.340 0.003 0.000 0.365 313 Q C -1.587 174.470 176.000 0.095 0.000 0.660 313 Q CA -0.339 55.548 55.803 0.140 0.000 0.950 313 Q CB 0.467 29.278 28.738 0.121 0.000 1.130 313 Q HN 0.262 nan 8.270 nan 0.000 0.492 314 A N -0.378 122.492 122.820 0.083 0.000 3.972 314 A HA 0.540 4.862 4.320 0.003 0.000 0.166 314 A C -0.141 177.483 177.584 0.068 0.000 0.722 314 A CA -0.362 51.714 52.037 0.066 0.000 1.045 314 A CB -0.526 18.509 19.000 0.058 0.000 1.949 314 A HN 0.413 nan 8.150 nan 0.000 0.853 315 L N -0.701 120.553 121.223 0.051 0.000 1.851 315 L HA 0.090 4.432 4.340 0.003 0.000 0.228 315 L C 2.002 178.957 176.870 0.141 0.000 1.095 315 L CA 2.134 57.013 54.840 0.065 0.000 1.147 315 L CB -1.528 40.542 42.059 0.017 0.000 1.019 315 L HN 0.845 nan 8.230 nan 0.000 0.580 316 Q N -1.356 118.419 119.800 -0.042 0.000 2.194 316 Q HA 0.069 4.410 4.340 0.003 0.000 0.214 316 Q C 0.448 176.242 176.000 -0.345 0.000 0.838 316 Q CA 0.336 55.980 55.803 -0.266 0.000 0.972 316 Q CB 0.448 28.958 28.738 -0.379 0.000 1.131 316 Q HN 0.247 nan 8.270 nan 0.000 0.498 317 K N -0.923 119.401 120.400 -0.127 0.000 2.761 317 K HA 0.280 4.602 4.320 0.003 0.000 0.196 317 K C -1.003 175.764 176.600 0.279 0.000 1.134 317 K CA 0.098 56.460 56.287 0.126 0.000 1.082 317 K CB 0.644 33.275 32.500 0.218 0.000 0.768 317 K HN 0.223 nan 8.250 nan 0.000 0.475 318 S N -3.463 112.383 115.700 0.243 0.000 3.629 318 S HA 0.608 5.080 4.470 0.003 0.000 0.319 318 S C 0.998 175.662 174.600 0.107 0.000 1.149 318 S CA -0.499 57.798 58.200 0.163 0.000 1.099 318 S CB 0.425 63.717 63.200 0.154 0.000 1.433 318 S HN 0.050 nan 8.310 nan 0.000 0.736 319 G N 0.670 109.521 108.800 0.085 0.000 2.549 319 G HA2 0.566 4.527 3.960 0.003 0.000 0.219 319 G HA3 0.566 4.527 3.960 0.003 0.000 0.219 319 G C -0.045 174.890 174.900 0.059 0.000 1.677 319 G CA -0.069 45.066 45.100 0.060 0.000 0.929 319 G HN 0.709 nan 8.290 nan 0.000 0.549 320 R N -1.012 119.519 120.500 0.051 0.000 3.145 320 R HA 0.487 4.829 4.340 0.003 0.000 0.253 320 R C -2.571 173.753 176.300 0.040 0.000 1.289 320 R CA -0.904 55.225 56.100 0.048 0.000 1.030 320 R CB 0.157 30.481 30.300 0.039 0.000 1.387 320 R HN 0.200 nan 8.270 nan 0.000 0.466 321 P HA 0.191 nan 4.420 nan 0.000 0.253 321 P C -0.478 176.841 177.300 0.032 0.000 1.872 321 P CA -0.571 62.550 63.100 0.034 0.000 1.148 321 P CB 0.209 31.923 31.700 0.024 0.000 1.753 322 V N -2.025 117.912 119.914 0.039 0.000 3.886 322 V HA -0.312 3.810 4.120 0.003 0.000 0.527 322 V C 0.388 176.483 176.094 0.003 0.000 1.208 322 V CA 1.499 63.817 62.300 0.030 0.000 2.156 322 V CB -1.056 30.788 31.823 0.034 0.000 2.378 322 V HN 0.487 nan 8.190 nan 0.000 0.525 323 K N 0.675 121.068 120.400 -0.011 0.000 4.110 323 K HA 0.686 5.008 4.320 0.003 0.000 0.278 323 K C 0.511 177.077 176.600 -0.056 0.000 1.347 323 K CA 0.813 57.079 56.287 -0.036 0.000 1.625 323 K CB -0.365 32.108 32.500 -0.044 0.000 2.825 323 K HN 2.939 nan 8.250 nan 0.000 0.700 324 S N -0.064 115.585 115.700 -0.084 0.000 2.707 324 S HA -0.048 4.424 4.470 0.003 0.000 0.857 324 S C 0.742 175.241 174.600 -0.168 0.000 0.803 324 S CA 0.085 58.202 58.200 -0.137 0.000 1.562 324 S CB -2.035 61.105 63.200 -0.099 0.000 1.125 324 S HN 0.447 nan 8.310 nan 0.000 0.230 325 I N 1.836 122.243 120.570 -0.271 0.000 2.290 325 I HA -0.282 3.889 4.170 0.003 0.000 0.253 325 I C 2.897 178.930 176.117 -0.141 0.000 1.112 325 I CA 1.921 63.089 61.300 -0.220 0.000 1.377 325 I CB -0.625 37.197 38.000 -0.297 0.000 1.060 325 I HN 0.759 nan 8.210 nan 0.000 0.428 326 R N 1.751 122.176 120.500 -0.124 0.000 2.070 326 R HA -0.163 4.179 4.340 0.003 0.000 0.233 326 R C 2.230 178.465 176.300 -0.108 0.000 1.137 326 R CA 2.055 58.090 56.100 -0.109 0.000 0.945 326 R CB -0.369 29.890 30.300 -0.069 0.000 0.845 326 R HN 0.387 nan 8.270 nan 0.000 0.430 327 A N 0.693 123.459 122.820 -0.091 0.000 2.119 327 A HA -0.014 4.308 4.320 0.003 0.000 0.217 327 A C 2.075 179.613 177.584 -0.076 0.000 1.153 327 A CA 0.485 52.475 52.037 -0.078 0.000 0.692 327 A CB -0.322 18.640 19.000 -0.063 0.000 0.799 327 A HN 0.275 nan 8.150 nan 0.000 0.458 328 R N -0.766 119.685 120.500 -0.082 0.000 2.285 328 R HA 0.084 4.426 4.340 0.003 0.000 0.213 328 R C 1.051 177.309 176.300 -0.069 0.000 1.068 328 R CA 0.849 56.905 56.100 -0.073 0.000 1.004 328 R CB -0.117 30.136 30.300 -0.077 0.000 0.873 328 R HN 0.535 nan 8.270 nan 0.000 0.467 329 L N -0.675 120.498 121.223 -0.082 0.000 2.653 329 L HA 0.149 4.491 4.340 0.003 0.000 0.230 329 L C 0.911 177.726 176.870 -0.091 0.000 1.055 329 L CA -0.203 54.588 54.840 -0.083 0.000 0.880 329 L CB -0.022 41.978 42.059 -0.099 0.000 1.195 329 L HN -0.052 nan 8.230 nan 0.000 0.492 330 K N 2.390 122.729 120.400 -0.102 0.000 2.524 330 K HA 0.027 4.348 4.320 0.003 0.000 0.279 330 K C 0.343 176.893 176.600 -0.084 0.000 0.993 330 K CA 0.314 56.540 56.287 -0.103 0.000 1.030 330 K CB 0.756 33.197 32.500 -0.098 0.000 0.891 330 K HN 0.088 nan 8.250 nan 0.000 0.488 331 G N 2.417 111.165 108.800 -0.087 0.000 2.690 331 G HA2 0.015 3.977 3.960 0.003 0.000 0.239 331 G HA3 0.015 3.977 3.960 0.003 0.000 0.239 331 G C -0.497 174.365 174.900 -0.063 0.000 1.233 331 G CA -0.143 44.913 45.100 -0.073 0.000 0.847 331 G HN 0.754 nan 8.290 nan 0.000 0.588 332 K N 0.104 120.476 120.400 -0.048 0.000 6.536 332 K HA -0.177 4.144 4.320 0.003 0.000 0.703 332 K C 0.761 177.338 176.600 -0.038 0.000 1.892 332 K CA 1.227 57.490 56.287 -0.039 0.000 1.651 332 K CB -1.033 31.441 32.500 -0.043 0.000 1.852 332 K HN 0.923 nan 8.250 nan 0.000 0.324 333 E N -1.933 118.248 120.200 -0.031 0.000 4.086 333 E HA -0.201 4.150 4.350 0.003 0.000 0.363 333 E C 0.658 177.237 176.600 -0.036 0.000 0.616 333 E CA 1.778 58.160 56.400 -0.031 0.000 1.293 333 E CB -1.687 27.995 29.700 -0.032 0.000 1.747 333 E HN 0.832 nan 8.360 nan 0.000 0.405 334 G N 0.587 109.362 108.800 -0.041 0.000 2.467 334 G HA2 0.256 4.218 3.960 0.003 0.000 0.257 334 G HA3 0.256 4.218 3.960 0.003 0.000 0.257 334 G C 0.786 175.663 174.900 -0.037 0.000 1.227 334 G CA 0.304 45.377 45.100 -0.045 0.000 0.835 334 G HN 0.055 nan 8.290 nan 0.000 0.556 335 R N 1.057 121.535 120.500 -0.037 0.000 2.265 335 R HA -0.233 4.109 4.340 0.003 0.000 0.268 335 R C 1.965 178.252 176.300 -0.021 0.000 1.178 335 R CA 1.782 57.866 56.100 -0.028 0.000 1.005 335 R CB -0.325 29.959 30.300 -0.027 0.000 0.891 335 R HN 0.688 nan 8.270 nan 0.000 0.472 336 I N -1.642 118.912 120.570 -0.026 0.000 2.731 336 I HA -0.070 4.101 4.170 0.003 0.000 0.235 336 I C 2.092 178.201 176.117 -0.012 0.000 1.064 336 I CA 0.289 61.579 61.300 -0.017 0.000 1.439 336 I CB -0.343 37.645 38.000 -0.020 0.000 1.255 336 I HN 0.094 nan 8.210 nan 0.000 0.446 337 R N 1.111 121.600 120.500 -0.018 0.000 2.346 337 R HA -0.017 4.324 4.340 0.003 0.000 0.199 337 R C 1.184 177.478 176.300 -0.012 0.000 1.015 337 R CA 0.725 56.820 56.100 -0.009 0.000 1.058 337 R CB -0.005 30.288 30.300 -0.011 0.000 0.921 337 R HN 0.489 nan 8.270 nan 0.000 0.475 338 G N -1.443 107.347 108.800 -0.016 0.000 2.801 338 G HA2 0.005 3.967 3.960 0.003 0.000 0.213 338 G HA3 0.005 3.967 3.960 0.003 0.000 0.213 338 G C 0.712 175.603 174.900 -0.016 0.000 1.052 338 G CA -0.212 44.878 45.100 -0.017 0.000 0.868 338 G HN 0.193 nan 8.290 nan 0.000 0.589 339 N N -0.437 118.254 118.700 -0.015 0.000 2.082 339 N HA 0.298 5.039 4.740 0.003 0.000 0.228 339 N C 1.143 176.647 175.510 -0.010 0.000 1.341 339 N CA -0.002 53.039 53.050 -0.014 0.000 0.873 339 N CB 1.230 39.707 38.487 -0.016 0.000 1.137 339 N HN 0.211 nan 8.380 nan 0.000 0.505 340 L N -0.271 120.948 121.223 -0.007 0.000 2.666 340 L HA 0.264 4.605 4.340 0.003 0.000 0.184 340 L C 1.766 178.634 176.870 -0.003 0.000 1.092 340 L CA 0.052 54.890 54.840 -0.003 0.000 0.857 340 L CB -0.129 41.931 42.059 0.003 0.000 1.281 340 L HN -0.063 nan 8.230 nan 0.000 0.489 341 M N 0.241 119.840 119.600 -0.001 0.000 2.202 341 M HA 0.013 4.494 4.480 0.003 0.000 0.262 341 M C 0.835 177.130 176.300 -0.008 0.000 1.063 341 M CA 0.976 56.275 55.300 -0.001 0.000 1.097 341 M CB -1.007 31.598 32.600 0.008 0.000 1.382 341 M HN 0.261 nan 8.290 nan 0.000 0.413 342 G N 1.003 109.798 108.800 -0.009 0.000 2.738 342 G HA2 0.458 4.420 3.960 0.003 0.000 0.281 342 G HA3 0.458 4.420 3.960 0.003 0.000 0.281 342 G C -0.949 173.945 174.900 -0.011 0.000 1.527 342 G CA -0.652 44.441 45.100 -0.012 0.000 1.132 342 G HN 0.139 nan 8.290 nan 0.000 0.569 343 K N 1.318 121.712 120.400 -0.011 0.000 2.123 343 K HA 0.507 4.829 4.320 0.003 0.000 0.259 343 K C 0.366 176.966 176.600 -0.001 0.000 0.960 343 K CA -0.784 55.498 56.287 -0.008 0.000 0.872 343 K CB 2.166 34.660 32.500 -0.009 0.000 1.079 343 K HN 0.371 nan 8.250 nan 0.000 0.440 344 R N 1.213 121.711 120.500 -0.003 0.000 2.543 344 R HA 0.240 4.582 4.340 0.003 0.000 0.277 344 R C -0.499 175.802 176.300 0.002 0.000 1.074 344 R CA -0.264 55.838 56.100 0.003 0.000 1.076 344 R CB 0.581 30.877 30.300 -0.008 0.000 0.993 344 R HN 0.520 nan 8.270 nan 0.000 0.459 345 V N -0.633 119.292 119.914 0.019 0.000 3.114 345 V HA 0.485 4.606 4.120 0.003 0.000 0.308 345 V C -0.741 175.349 176.094 -0.006 0.000 1.168 345 V CA -1.185 61.128 62.300 0.021 0.000 1.015 345 V CB 2.208 34.073 31.823 0.071 0.000 1.050 345 V HN 0.593 nan 8.190 nan 0.000 0.433 346 D N 0.837 121.196 120.400 -0.070 0.000 2.447 346 D HA 0.462 5.103 4.640 0.003 0.000 0.265 346 D C -0.012 176.210 176.300 -0.130 0.000 1.250 346 D CA 0.114 53.943 54.000 -0.287 0.000 1.046 346 D CB 0.114 40.511 40.800 -0.672 0.000 1.095 346 D HN 0.721 nan 8.370 nan 0.000 0.555 347 F N -0.322 119.654 119.950 0.043 0.000 2.166 347 F HA -0.249 4.279 4.527 0.001 0.000 0.170 347 F C 0.777 176.619 175.800 0.070 0.000 1.012 347 F CA 0.086 58.121 58.000 0.058 0.000 0.786 347 F CB -1.688 37.345 39.000 0.055 0.000 0.847 347 F HN 0.236 nan 8.300 nan 0.000 0.786 348 S N 0.149 115.928 115.700 0.132 0.000 2.694 348 S HA 1.002 5.473 4.470 0.003 0.000 0.273 348 S C -0.680 173.932 174.600 0.021 0.000 1.180 348 S CA -0.572 57.624 58.200 -0.007 0.000 0.864 348 S CB 2.039 65.171 63.200 -0.114 0.000 1.198 348 S HN 2.013 nan 8.310 nan 0.000 0.499 349 A N 0.118 122.929 122.820 -0.015 0.000 2.549 349 A HA 0.795 5.117 4.320 0.003 0.000 0.297 349 A C -1.327 176.351 177.584 0.155 0.000 0.983 349 A CA -0.355 51.746 52.037 0.105 0.000 0.654 349 A CB 0.733 19.866 19.000 0.221 0.000 1.319 349 A HN 1.694 nan 8.150 nan 0.000 0.428 350 R N 0.699 121.344 120.500 0.242 0.000 2.579 350 R HA 0.717 5.059 4.340 0.003 0.000 0.260 350 R C -1.642 174.846 176.300 0.312 0.000 1.103 350 R CA 0.049 56.358 56.100 0.349 0.000 0.942 350 R CB 1.461 31.815 30.300 0.090 0.000 1.251 350 R HN 0.909 nan 8.270 nan 0.000 0.450 351 T N 1.283 116.117 114.554 0.467 0.000 2.742 351 T HA 0.375 4.727 4.350 0.003 0.000 0.282 351 T C -0.336 174.499 174.700 0.225 0.000 1.025 351 T CA -0.540 61.676 62.100 0.195 0.000 1.020 351 T CB 1.490 70.338 68.868 -0.032 0.000 1.317 351 T HN 0.370 nan 8.240 nan 0.000 0.538 352 V N 1.858 121.851 119.914 0.131 0.000 3.032 352 V HA 0.214 4.336 4.120 0.003 0.000 0.307 352 V C 0.087 176.306 176.094 0.209 0.000 1.097 352 V CA 0.142 62.522 62.300 0.134 0.000 1.191 352 V CB -0.298 31.577 31.823 0.086 0.000 0.964 352 V HN 0.692 nan 8.190 nan 0.000 0.494 353 I N 0.942 121.646 120.570 0.223 0.000 2.846 353 I HA 0.942 5.114 4.170 0.003 0.000 0.307 353 I C -0.233 176.084 176.117 0.332 0.000 1.053 353 I CA -0.681 60.797 61.300 0.296 0.000 1.050 353 I CB 2.394 40.580 38.000 0.309 0.000 1.239 353 I HN 0.600 nan 8.210 nan 0.000 0.439 354 S N 1.215 117.049 115.700 0.222 0.000 2.535 354 S HA 0.772 5.243 4.470 0.003 0.000 0.272 354 S C -0.501 173.778 174.600 -0.536 0.000 1.149 354 S CA -0.548 57.540 58.200 -0.185 0.000 0.888 354 S CB 1.002 64.117 63.200 -0.141 0.000 1.110 354 S HN 1.193 nan 8.310 nan 0.000 0.463 355 G N 0.585 108.552 108.800 -1.389 0.000 2.356 355 G HA2 0.483 4.444 3.960 0.003 0.000 0.312 355 G HA3 0.483 4.444 3.960 0.003 0.000 0.312 355 G C -1.038 173.606 174.900 -0.427 0.000 1.096 355 G CA -0.326 44.215 45.100 -0.932 0.000 0.950 355 G HN 0.643 nan 8.290 nan 0.000 0.428 356 D N 4.088 124.361 120.400 -0.212 0.000 2.500 356 D HA 0.240 4.882 4.640 0.003 0.000 0.219 356 D C -0.969 175.285 176.300 -0.078 0.000 1.137 356 D CA -2.311 51.610 54.000 -0.131 0.000 0.946 356 D CB 1.744 42.492 40.800 -0.086 0.000 1.022 356 D HN 0.118 nan 8.370 nan 0.000 0.518 357 P HA -0.172 nan 4.420 nan 0.000 0.218 357 P C 0.487 177.761 177.300 -0.043 0.000 1.150 357 P CA 0.986 64.048 63.100 -0.063 0.000 0.841 357 P CB 0.386 32.032 31.700 -0.090 0.000 0.784 358 N N -0.821 117.864 118.700 -0.025 0.000 2.279 358 N HA 0.157 4.898 4.740 0.003 0.000 0.226 358 N C 0.267 175.796 175.510 0.031 0.000 1.126 358 N CA 0.087 53.148 53.050 0.018 0.000 0.846 358 N CB 0.276 38.803 38.487 0.068 0.000 1.050 358 N HN 0.254 nan 8.380 nan 0.000 0.502 359 L N 0.697 121.926 121.223 0.011 0.000 2.334 359 L HA 0.317 4.659 4.340 0.003 0.000 0.275 359 L C 0.757 177.641 176.870 0.022 0.000 1.036 359 L CA -0.664 54.184 54.840 0.013 0.000 0.807 359 L CB 1.542 43.598 42.059 -0.004 0.000 1.231 359 L HN -0.084 nan 8.230 nan 0.000 0.438 360 E N 0.928 121.144 120.200 0.025 0.000 2.351 360 E HA 0.074 4.425 4.350 0.003 0.000 0.255 360 E C 0.644 177.250 176.600 0.010 0.000 1.188 360 E CA -0.487 55.929 56.400 0.027 0.000 0.940 360 E CB 1.134 30.851 29.700 0.029 0.000 1.094 360 E HN 0.332 nan 8.360 nan 0.000 0.474 361 L N 1.806 123.019 121.223 -0.018 0.000 1.937 361 L HA -0.209 4.132 4.340 0.003 0.000 0.213 361 L C 1.474 178.298 176.870 -0.076 0.000 1.077 361 L CA 2.249 57.037 54.840 -0.087 0.000 0.758 361 L CB -1.093 40.831 42.059 -0.225 0.000 0.888 361 L HN 0.569 nan 8.230 nan 0.000 0.433 362 D N -1.013 119.318 120.400 -0.116 0.000 2.429 362 D HA -0.155 4.487 4.640 0.003 0.000 0.230 362 D C 0.614 176.895 176.300 -0.032 0.000 1.005 362 D CA 0.434 54.333 54.000 -0.169 0.000 0.963 362 D CB -0.506 40.218 40.800 -0.127 0.000 0.872 362 D HN 0.501 nan 8.370 nan 0.000 0.524 363 Q N -0.805 119.041 119.800 0.078 0.000 2.166 363 Q HA 0.598 4.939 4.340 0.003 0.000 0.226 363 Q C -0.928 175.119 176.000 0.078 0.000 0.989 363 Q CA -1.087 54.771 55.803 0.091 0.000 0.966 363 Q CB 2.634 31.388 28.738 0.027 0.000 1.173 363 Q HN -0.006 nan 8.270 nan 0.000 0.509 364 V N 0.574 120.432 119.914 -0.093 0.000 2.757 364 V HA 0.283 4.405 4.120 0.003 0.000 0.262 364 V C -0.745 175.254 176.094 -0.158 0.000 0.971 364 V CA -0.330 61.771 62.300 -0.332 0.000 0.906 364 V CB 1.369 32.959 31.823 -0.389 0.000 1.056 364 V HN 0.848 nan 8.190 nan 0.000 0.489 365 G N 5.108 113.841 108.800 -0.112 0.000 2.494 365 G HA2 0.408 4.370 3.960 0.003 0.000 0.297 365 G HA3 0.408 4.370 3.960 0.003 0.000 0.297 365 G C -0.312 174.622 174.900 0.057 0.000 0.971 365 G CA 0.005 45.093 45.100 -0.020 0.000 1.378 365 G HN 0.646 nan 8.290 nan 0.000 0.456 366 V N 6.616 126.544 119.914 0.023 0.000 2.311 366 V HA 0.241 4.362 4.120 0.003 0.000 0.275 366 V C -1.741 174.276 176.094 -0.129 0.000 1.022 366 V CA -1.759 60.537 62.300 -0.006 0.000 0.830 366 V CB 1.639 33.527 31.823 0.107 0.000 1.012 366 V HN 0.591 nan 8.190 nan 0.000 0.452 367 P HA 0.052 nan 4.420 nan 0.000 0.265 367 P C 0.711 177.912 177.300 -0.166 0.000 1.193 367 P CA 0.042 63.024 63.100 -0.197 0.000 0.765 367 P CB 1.161 32.723 31.700 -0.229 0.000 0.823 368 K N 2.895 123.188 120.400 -0.180 0.000 2.044 368 K HA -0.296 4.025 4.320 0.003 0.000 0.224 368 K C 2.205 178.743 176.600 -0.104 0.000 1.056 368 K CA 2.851 59.028 56.287 -0.185 0.000 0.962 368 K CB -0.944 31.436 32.500 -0.199 0.000 0.730 368 K HN 0.497 nan 8.250 nan 0.000 0.453 369 S N 0.101 115.744 115.700 -0.097 0.000 2.408 369 S HA -0.255 4.217 4.470 0.003 0.000 0.241 369 S C 1.867 176.453 174.600 -0.024 0.000 1.080 369 S CA 1.947 60.112 58.200 -0.058 0.000 1.109 369 S CB -0.436 62.722 63.200 -0.069 0.000 0.966 369 S HN 0.355 nan 8.310 nan 0.000 0.449 370 I N 1.373 121.913 120.570 -0.050 0.000 2.162 370 I HA -0.079 4.093 4.170 0.003 0.000 0.238 370 I C 2.928 179.090 176.117 0.075 0.000 1.076 370 I CA 1.270 62.565 61.300 -0.009 0.000 1.353 370 I CB -1.143 36.802 38.000 -0.091 0.000 1.063 370 I HN 0.490 nan 8.210 nan 0.000 0.408 371 A N 0.303 123.162 122.820 0.066 0.000 2.178 371 A HA -0.172 4.150 4.320 0.003 0.000 0.218 371 A C 2.129 179.849 177.584 0.227 0.000 1.157 371 A CA 1.144 53.273 52.037 0.154 0.000 0.689 371 A CB -0.449 18.622 19.000 0.118 0.000 0.787 371 A HN 0.326 nan 8.150 nan 0.000 0.465 372 K N -0.798 119.679 120.400 0.128 0.000 2.439 372 K HA -0.038 4.284 4.320 0.003 0.000 0.197 372 K C 1.133 177.961 176.600 0.380 0.000 1.041 372 K CA 1.493 57.852 56.287 0.120 0.000 0.970 372 K CB 0.060 32.568 32.500 0.013 0.000 0.773 372 K HN 0.622 nan 8.250 nan 0.000 0.479 373 T N 0.177 114.892 114.554 0.269 0.000 3.114 373 T HA 0.152 4.504 4.350 0.003 0.000 0.240 373 T C 0.808 175.645 174.700 0.229 0.000 0.983 373 T CA -0.329 61.898 62.100 0.210 0.000 1.151 373 T CB 0.009 68.963 68.868 0.143 0.000 0.974 373 T HN -0.086 nan 8.240 nan 0.000 0.442 374 L N 1.929 123.297 121.223 0.241 0.000 2.492 374 L HA 0.396 4.738 4.340 0.003 0.000 0.280 374 L C 0.514 177.537 176.870 0.255 0.000 1.240 374 L CA 0.381 55.392 54.840 0.285 0.000 0.831 374 L CB 0.055 42.270 42.059 0.260 0.000 1.100 374 L HN 0.175 nan 8.230 nan 0.000 0.505 375 T N 1.042 115.733 114.554 0.229 0.000 3.483 375 T HA 0.225 4.576 4.350 0.003 0.000 0.329 375 T C -1.413 173.269 174.700 -0.031 0.000 1.014 375 T CA -0.521 61.652 62.100 0.122 0.000 1.056 375 T CB 0.151 69.118 68.868 0.165 0.000 1.090 375 T HN 0.411 nan 8.240 nan 0.000 0.460 376 Y N 7.877 128.122 120.300 -0.091 0.000 2.350 376 Y HA 0.529 5.080 4.550 0.002 0.000 0.340 376 Y C -2.163 173.681 175.900 -0.093 0.000 1.006 376 Y CA -2.583 55.441 58.100 -0.127 0.000 1.166 376 Y CB 1.415 39.841 38.460 -0.057 0.000 1.168 376 Y HN 0.382 nan 8.280 nan 0.000 0.502 377 P HA 0.090 nan 4.420 nan 0.000 0.280 377 P C -1.236 176.253 177.300 0.316 0.000 1.300 377 P CA 0.110 63.270 63.100 0.101 0.000 0.785 377 P CB 1.046 32.693 31.700 -0.089 0.000 0.874 378 E N 2.582 122.956 120.200 0.289 0.000 2.207 378 E HA 0.414 4.765 4.350 0.003 0.000 0.270 378 E C -0.879 175.813 176.600 0.152 0.000 0.927 378 E CA -1.066 55.474 56.400 0.233 0.000 0.799 378 E CB 1.536 31.288 29.700 0.086 0.000 1.172 378 E HN 0.096 nan 8.360 nan 0.000 0.404 379 V N 3.122 123.121 119.914 0.140 0.000 2.539 379 V HA 0.192 4.313 4.120 0.003 0.000 0.292 379 V C -0.026 176.130 176.094 0.104 0.000 1.045 379 V CA -0.979 61.399 62.300 0.130 0.000 0.945 379 V CB 1.462 33.362 31.823 0.128 0.000 0.993 379 V HN 0.524 nan 8.190 nan 0.000 0.464 380 V N 3.808 123.787 119.914 0.108 0.000 2.458 380 V HA 0.220 4.341 4.120 0.003 0.000 0.287 380 V C 0.546 176.710 176.094 0.116 0.000 1.009 380 V CA 0.907 63.228 62.300 0.036 0.000 1.091 380 V CB 0.287 32.081 31.823 -0.047 0.000 0.960 380 V HN 1.039 nan 8.190 nan 0.000 0.476 381 T N 6.710 121.305 114.554 0.070 0.000 2.993 381 T HA 0.408 4.759 4.350 0.003 0.000 0.312 381 T C -2.037 172.648 174.700 -0.024 0.000 1.115 381 T CA -1.226 60.907 62.100 0.054 0.000 1.027 381 T CB 2.191 71.034 68.868 -0.042 0.000 1.116 381 T HN 0.359 nan 8.240 nan 0.000 0.464 382 P HA -0.152 nan 4.420 nan 0.000 0.219 382 P C 0.729 177.968 177.300 -0.102 0.000 1.151 382 P CA 1.613 64.682 63.100 -0.051 0.000 0.850 382 P CB -0.125 31.407 31.700 -0.280 0.000 0.784 383 Y N -0.642 119.713 120.300 0.093 0.000 2.509 383 Y HA -0.085 4.466 4.550 0.003 0.000 0.293 383 Y C 2.014 177.930 175.900 0.026 0.000 1.133 383 Y CA 0.641 58.769 58.100 0.047 0.000 1.283 383 Y CB -0.894 37.587 38.460 0.035 0.000 1.001 383 Y HN 0.181 nan 8.280 nan 0.000 0.555 384 N N -0.054 118.702 118.700 0.094 0.000 2.317 384 N HA 0.004 4.745 4.740 0.003 0.000 0.199 384 N C 1.001 176.501 175.510 -0.017 0.000 1.145 384 N CA 0.252 53.330 53.050 0.046 0.000 0.882 384 N CB -0.991 37.526 38.487 0.050 0.000 1.113 384 N HN 0.338 nan 8.380 nan 0.000 0.486 385 I N 0.997 121.526 120.570 -0.069 0.000 2.236 385 I HA -0.275 3.896 4.170 0.003 0.000 0.249 385 I C 1.164 177.228 176.117 -0.088 0.000 1.102 385 I CA 1.686 62.906 61.300 -0.133 0.000 1.365 385 I CB -0.469 37.377 38.000 -0.258 0.000 1.051 385 I HN -0.023 nan 8.210 nan 0.000 0.420 386 D N 0.323 120.691 120.400 -0.054 0.000 2.117 386 D HA -0.157 4.485 4.640 0.003 0.000 0.197 386 D C 2.183 178.468 176.300 -0.025 0.000 0.987 386 D CA 1.039 55.018 54.000 -0.035 0.000 0.829 386 D CB -0.117 40.674 40.800 -0.014 0.000 0.961 386 D HN 0.266 nan 8.370 nan 0.000 0.460 387 R N 0.199 120.689 120.500 -0.016 0.000 2.104 387 R HA -0.024 4.317 4.340 0.003 0.000 0.219 387 R C 2.332 178.617 176.300 -0.025 0.000 1.150 387 R CA 0.670 56.761 56.100 -0.014 0.000 0.900 387 R CB -0.756 29.540 30.300 -0.006 0.000 0.804 387 R HN 0.082 nan 8.270 nan 0.000 0.448 388 L N 0.422 121.629 121.223 -0.027 0.000 2.011 388 L HA -0.348 3.994 4.340 0.003 0.000 0.225 388 L C 2.660 179.508 176.870 -0.038 0.000 1.084 388 L CA 2.266 57.088 54.840 -0.030 0.000 0.791 388 L CB -0.699 41.344 42.059 -0.026 0.000 0.898 388 L HN 0.500 nan 8.230 nan 0.000 0.440 389 T N -1.335 113.185 114.554 -0.056 0.000 2.685 389 T HA -0.360 3.991 4.350 0.003 0.000 0.268 389 T C 1.762 176.437 174.700 -0.042 0.000 1.034 389 T CA 2.079 64.143 62.100 -0.061 0.000 1.149 389 T CB -0.164 68.651 68.868 -0.088 0.000 0.860 389 T HN 0.477 nan 8.240 nan 0.000 0.449 390 Q N 0.038 119.817 119.800 -0.036 0.000 2.124 390 Q HA -0.040 4.301 4.340 0.003 0.000 0.202 390 Q C 2.188 178.174 176.000 -0.023 0.000 0.977 390 Q CA 1.452 57.239 55.803 -0.026 0.000 0.850 390 Q CB -0.405 28.320 28.738 -0.021 0.000 0.901 390 Q HN 0.528 nan 8.270 nan 0.000 0.429 391 L N -0.222 120.986 121.223 -0.025 0.000 2.046 391 L HA -0.164 4.178 4.340 0.003 0.000 0.208 391 L C 2.393 179.245 176.870 -0.029 0.000 1.077 391 L CA 0.962 55.786 54.840 -0.026 0.000 0.747 391 L CB -0.451 41.590 42.059 -0.029 0.000 0.896 391 L HN 0.166 nan 8.230 nan 0.000 0.432 392 V N -0.408 119.489 119.914 -0.028 0.000 2.343 392 V HA -0.277 3.844 4.120 0.003 0.000 0.247 392 V C 2.579 178.657 176.094 -0.026 0.000 1.051 392 V CA 1.707 63.990 62.300 -0.028 0.000 1.036 392 V CB -0.731 31.085 31.823 -0.011 0.000 0.654 392 V HN 0.392 nan 8.190 nan 0.000 0.451 393 R N 0.245 120.732 120.500 -0.022 0.000 2.081 393 R HA -0.146 4.196 4.340 0.003 0.000 0.235 393 R C 2.249 178.539 176.300 -0.016 0.000 1.131 393 R CA 1.498 57.587 56.100 -0.018 0.000 0.960 393 R CB -0.508 29.782 30.300 -0.018 0.000 0.856 393 R HN 0.425 nan 8.270 nan 0.000 0.436 394 N N 0.512 119.203 118.700 -0.015 0.000 2.588 394 N HA -0.084 4.658 4.740 0.003 0.000 0.190 394 N C 0.073 175.582 175.510 -0.002 0.000 1.094 394 N CA 1.207 54.252 53.050 -0.009 0.000 0.921 394 N CB -0.162 38.319 38.487 -0.009 0.000 0.959 394 N HN 0.380 nan 8.380 nan 0.000 0.448 395 G N -0.278 108.514 108.800 -0.014 0.000 2.801 395 G HA2 -0.180 3.782 3.960 0.003 0.000 0.686 395 G HA3 -0.180 3.782 3.960 0.003 0.000 0.686 395 G C -1.996 172.907 174.900 0.004 0.000 1.507 395 G CA -0.380 44.708 45.100 -0.020 0.000 0.980 395 G HN 0.148 nan 8.290 nan 0.000 0.589 396 P HA 0.009 nan 4.420 nan 0.000 0.250 396 P C 0.949 178.302 177.300 0.088 0.000 1.239 396 P CA 1.132 64.215 63.100 -0.028 0.000 0.756 396 P CB 0.058 31.672 31.700 -0.143 0.000 1.013 397 N N -1.776 116.971 118.700 0.078 0.000 2.529 397 N HA 0.015 4.757 4.740 0.003 0.000 0.231 397 N C 0.633 176.161 175.510 0.029 0.000 1.072 397 N CA 0.094 53.178 53.050 0.056 0.000 0.854 397 N CB -0.187 38.313 38.487 0.022 0.000 1.465 397 N HN 0.138 nan 8.380 nan 0.000 0.452 398 E N 0.358 120.570 120.200 0.021 0.000 2.392 398 E HA -0.037 4.315 4.350 0.003 0.000 0.256 398 E C 0.465 177.048 176.600 -0.029 0.000 1.145 398 E CA -0.092 56.309 56.400 0.002 0.000 0.929 398 E CB 0.901 30.604 29.700 0.005 0.000 0.998 398 E HN 0.207 nan 8.360 nan 0.000 0.442 399 H N 2.338 121.340 119.070 -0.113 0.000 3.392 399 H HA -0.033 4.524 4.556 0.002 0.000 0.304 399 H C -1.724 173.545 175.328 -0.099 0.000 0.986 399 H CA 1.276 57.202 56.048 -0.203 0.000 1.012 399 H CB -1.016 28.642 29.762 -0.173 0.000 1.682 399 H HN 0.335 nan 8.280 nan 0.000 0.978 400 P HA 0.141 nan 4.420 nan 0.000 0.257 400 P C -0.683 176.563 177.300 -0.091 0.000 1.269 400 P CA 1.075 63.926 63.100 -0.415 0.000 1.122 400 P CB 0.108 31.746 31.700 -0.104 0.000 1.285 401 G N 1.315 110.214 108.800 0.164 0.000 2.731 401 G HA2 0.800 4.762 3.960 0.003 0.000 0.309 401 G HA3 0.800 4.762 3.960 0.003 0.000 0.309 401 G C -1.927 172.857 174.900 -0.193 0.000 1.273 401 G CA -0.389 44.769 45.100 0.096 0.000 0.798 401 G HN 0.419 nan 8.290 nan 0.000 0.509 402 A N -0.318 122.340 122.820 -0.269 0.000 2.582 402 A HA 0.668 4.990 4.320 0.003 0.000 0.297 402 A C -0.698 176.736 177.584 -0.250 0.000 1.059 402 A CA -0.646 51.200 52.037 -0.319 0.000 0.705 402 A CB 1.523 20.432 19.000 -0.152 0.000 1.279 402 A HN 0.866 nan 8.150 nan 0.000 0.404 403 K N 0.874 121.114 120.400 -0.266 0.000 2.240 403 K HA 0.660 4.981 4.320 0.003 0.000 0.237 403 K C -0.775 175.704 176.600 -0.202 0.000 1.027 403 K CA -0.493 55.562 56.287 -0.388 0.000 0.937 403 K CB 0.051 32.174 32.500 -0.629 0.000 1.171 403 K HN 0.989 nan 8.250 nan 0.000 0.479 404 Y N -1.887 118.372 120.300 -0.068 0.000 2.565 404 Y HA -0.207 4.347 4.550 0.007 0.000 0.072 404 Y C -0.340 175.546 175.900 -0.024 0.000 1.740 404 Y CA -0.227 57.847 58.100 -0.042 0.000 1.373 404 Y CB -1.201 37.243 38.460 -0.027 0.000 2.017 404 Y HN 0.246 nan 8.280 nan 0.000 0.264 405 V N 6.062 126.040 119.914 0.107 0.000 2.483 405 V HA 0.583 4.705 4.120 0.003 0.000 0.297 405 V C -0.046 176.053 176.094 0.010 0.000 1.027 405 V CA -0.867 61.485 62.300 0.087 0.000 0.855 405 V CB 1.697 33.583 31.823 0.106 0.000 0.995 405 V HN 0.514 nan 8.190 nan 0.000 0.424 406 I N 5.478 126.034 120.570 -0.023 0.000 2.460 406 I HA 0.613 4.784 4.170 0.003 0.000 0.298 406 I C 0.395 176.246 176.117 -0.444 0.000 0.989 406 I CA -0.217 60.986 61.300 -0.163 0.000 1.173 406 I CB 1.639 39.592 38.000 -0.079 0.000 1.338 406 I HN 0.500 nan 8.210 nan 0.000 0.456 407 R N 2.531 122.629 120.500 -0.672 0.000 2.943 407 R HA 0.375 4.716 4.340 0.003 0.000 0.246 407 R C 0.340 176.221 176.300 -0.699 0.000 1.201 407 R CA -0.891 54.428 56.100 -1.303 0.000 1.056 407 R CB 0.675 30.298 30.300 -1.129 0.000 1.243 407 R HN 0.524 nan 8.270 nan 0.000 0.498 408 D N 0.791 120.874 120.400 -0.528 0.000 2.127 408 D HA -0.185 4.457 4.640 0.003 0.000 0.190 408 D C 1.635 177.876 176.300 -0.099 0.000 1.000 408 D CA 2.456 56.401 54.000 -0.091 0.000 0.839 408 D CB -0.282 40.570 40.800 0.087 0.000 0.955 408 D HN 0.529 nan 8.370 nan 0.000 0.446 409 S N -0.159 115.467 115.700 -0.122 0.000 2.493 409 S HA -0.004 4.467 4.470 0.003 0.000 0.243 409 S C 1.707 176.249 174.600 -0.096 0.000 0.991 409 S CA 1.030 59.179 58.200 -0.085 0.000 0.957 409 S CB -0.526 62.625 63.200 -0.082 0.000 0.756 409 S HN 0.464 nan 8.310 nan 0.000 0.521 410 G N 1.488 110.200 108.800 -0.147 0.000 2.323 410 G HA2 -0.197 3.764 3.960 0.003 0.000 0.292 410 G HA3 -0.197 3.764 3.960 0.003 0.000 0.292 410 G C -0.546 174.293 174.900 -0.101 0.000 1.040 410 G CA 0.310 45.339 45.100 -0.118 0.000 0.942 410 G HN 0.572 nan 8.290 nan 0.000 0.506 411 D N -1.094 119.229 120.400 -0.129 0.000 2.442 411 D HA 0.640 5.282 4.640 0.003 0.000 0.254 411 D C 0.637 176.883 176.300 -0.089 0.000 1.069 411 D CA -0.680 53.267 54.000 -0.089 0.000 1.017 411 D CB 0.770 41.521 40.800 -0.081 0.000 1.172 411 D HN 0.223 nan 8.370 nan 0.000 0.561 412 R N 0.333 120.810 120.500 -0.038 0.000 2.343 412 R HA 0.425 4.767 4.340 0.003 0.000 0.320 412 R C -0.890 175.427 176.300 0.029 0.000 0.956 412 R CA -0.771 55.335 56.100 0.009 0.000 0.836 412 R CB 0.716 31.047 30.300 0.052 0.000 1.151 412 R HN 0.215 nan 8.270 nan 0.000 0.450 413 I N 2.976 123.561 120.570 0.025 0.000 2.325 413 I HA 0.055 4.227 4.170 0.003 0.000 0.291 413 I C 0.111 176.240 176.117 0.021 0.000 1.019 413 I CA -0.079 61.233 61.300 0.020 0.000 1.302 413 I CB 1.228 39.233 38.000 0.008 0.000 1.401 413 I HN 0.408 nan 8.210 nan 0.000 0.485 414 D N 6.938 127.322 120.400 -0.028 0.000 2.540 414 D HA 0.185 4.827 4.640 0.003 0.000 0.251 414 D C 1.195 177.323 176.300 -0.287 0.000 1.159 414 D CA -0.196 53.699 54.000 -0.175 0.000 0.974 414 D CB 0.388 41.140 40.800 -0.080 0.000 0.996 414 D HN 0.442 nan 8.370 nan 0.000 0.512 415 L N 1.877 122.917 121.223 -0.304 0.000 2.211 415 L HA -0.229 4.113 4.340 0.003 0.000 0.216 415 L C 2.537 179.261 176.870 -0.245 0.000 1.092 415 L CA 1.165 55.871 54.840 -0.223 0.000 0.767 415 L CB -0.324 41.614 42.059 -0.201 0.000 0.894 415 L HN 0.352 nan 8.230 nan 0.000 0.437 416 R N -0.910 119.339 120.500 -0.419 0.000 2.275 416 R HA -0.044 4.298 4.340 0.003 0.000 0.199 416 R C 0.608 176.705 176.300 -0.339 0.000 0.989 416 R CA 0.471 56.322 56.100 -0.415 0.000 1.016 416 R CB -0.056 29.945 30.300 -0.498 0.000 0.918 416 R HN 0.328 nan 8.270 nan 0.000 0.473 417 Y N 0.365 120.627 120.300 -0.064 0.000 3.214 417 Y HA 0.315 4.862 4.550 -0.004 0.000 0.291 417 Y C 0.378 176.259 175.900 -0.032 0.000 1.653 417 Y CA -0.783 57.296 58.100 -0.036 0.000 0.828 417 Y CB -0.090 38.355 38.460 -0.024 0.000 1.209 417 Y HN 0.050 nan 8.280 nan 0.000 0.715 418 S N 0.732 116.535 115.700 0.170 0.000 3.030 418 S HA -0.181 4.291 4.470 0.003 0.000 0.855 418 S C 0.501 175.133 174.600 0.055 0.000 0.973 418 S CA 0.393 58.640 58.200 0.079 0.000 1.342 418 S CB -0.279 62.941 63.200 0.034 0.000 0.961 418 S HN 0.781 nan 8.310 nan 0.000 0.275 419 K N 4.373 124.800 120.400 0.045 0.000 2.209 419 K HA -0.020 4.302 4.320 0.003 0.000 0.204 419 K C 1.388 178.004 176.600 0.027 0.000 1.048 419 K CA 1.417 57.724 56.287 0.033 0.000 0.940 419 K CB -0.093 32.424 32.500 0.027 0.000 0.729 419 K HN 0.595 nan 8.250 nan 0.000 0.451 420 R N 0.377 120.894 120.500 0.029 0.000 2.721 420 R HA 0.232 4.573 4.340 0.003 0.000 0.296 420 R C 0.724 177.037 176.300 0.023 0.000 1.174 420 R CA 0.093 56.210 56.100 0.027 0.000 1.129 420 R CB 0.596 30.919 30.300 0.037 0.000 1.316 420 R HN 0.308 nan 8.270 nan 0.000 0.571 421 A N 0.006 122.835 122.820 0.014 0.000 2.238 421 A HA 0.107 4.428 4.320 0.003 0.000 0.208 421 A C 1.341 178.922 177.584 -0.004 0.000 1.177 421 A CA 0.654 52.691 52.037 0.000 0.000 0.804 421 A CB 0.315 19.308 19.000 -0.012 0.000 0.823 421 A HN 0.353 nan 8.150 nan 0.000 0.482 422 G N -0.815 107.987 108.800 0.002 0.000 4.547 422 G HA2 0.441 4.403 3.960 0.003 0.000 0.301 422 G HA3 0.441 4.403 3.960 0.003 0.000 0.301 422 G C -0.186 174.714 174.900 0.000 0.000 1.240 422 G CA 0.628 45.727 45.100 -0.002 0.000 0.970 422 G HN 0.404 nan 8.290 nan 0.000 0.574 423 D N -0.038 120.365 120.400 0.005 0.000 2.640 423 D HA 0.217 4.858 4.640 0.003 0.000 0.120 423 D C 0.066 176.371 176.300 0.008 0.000 1.354 423 D CA 0.063 54.066 54.000 0.006 0.000 1.528 423 D CB -0.102 40.707 40.800 0.015 0.000 1.963 423 D HN 0.467 nan 8.370 nan 0.000 0.191 424 I N 0.794 121.382 120.570 0.031 0.000 6.173 424 I HA -0.151 4.021 4.170 0.003 0.000 0.126 424 I C -1.264 174.850 176.117 -0.005 0.000 1.365 424 I CA 0.301 61.635 61.300 0.057 0.000 2.531 424 I CB -0.856 37.201 38.000 0.096 0.000 2.545 424 I HN 0.240 nan 8.210 nan 0.000 0.297 425 Q N 6.744 126.518 119.800 -0.044 0.000 2.626 425 Q HA 0.498 4.839 4.340 0.003 0.000 0.239 425 Q C -0.213 175.558 176.000 -0.382 0.000 1.101 425 Q CA -0.676 55.030 55.803 -0.162 0.000 0.918 425 Q CB 0.977 29.637 28.738 -0.130 0.000 1.151 425 Q HN 0.723 nan 8.270 nan 0.000 0.531 426 L N 2.082 123.087 121.223 -0.362 0.000 2.878 426 L HA -0.177 4.165 4.340 0.003 0.000 0.285 426 L C 1.041 177.423 176.870 -0.814 0.000 1.090 426 L CA 0.407 54.922 54.840 -0.542 0.000 1.030 426 L CB -0.193 41.687 42.059 -0.299 0.000 1.431 426 L HN 0.383 nan 8.230 nan 0.000 0.456 427 Q N 4.103 123.057 119.800 -1.410 0.000 2.286 427 Q HA 0.194 4.535 4.340 0.003 0.000 0.281 427 Q C -1.104 174.507 176.000 -0.647 0.000 0.897 427 Q CA -0.510 54.675 55.803 -1.030 0.000 1.023 427 Q CB -0.305 27.829 28.738 -1.007 0.000 1.151 427 Q HN 0.430 nan 8.270 nan 0.000 0.445 428 Y N -1.227 118.772 120.300 -0.500 0.000 2.630 428 Y HA -0.223 4.329 4.550 0.004 0.000 0.041 428 Y C 0.983 176.847 175.900 -0.060 0.000 1.819 428 Y CA 0.669 58.636 58.100 -0.222 0.000 1.325 428 Y CB -0.618 37.745 38.460 -0.161 0.000 1.976 428 Y HN 0.487 nan 8.280 nan 0.000 0.273 429 G N 1.136 110.087 108.800 0.251 0.000 2.203 429 G HA2 -0.229 3.732 3.960 0.003 0.000 0.231 429 G HA3 -0.229 3.732 3.960 0.003 0.000 0.231 429 G C -0.761 174.417 174.900 0.463 0.000 1.058 429 G CA -0.220 45.048 45.100 0.280 0.000 0.781 429 G HN 0.592 nan 8.290 nan 0.000 0.496 430 W N -0.191 121.138 121.300 0.048 0.000 2.799 430 W HA 0.737 5.397 4.660 0.000 0.000 0.349 430 W C 0.319 176.855 176.519 0.029 0.000 1.100 430 W CA -1.557 55.805 57.345 0.029 0.000 1.174 430 W CB 1.276 30.743 29.460 0.012 0.000 1.427 430 W HN 0.035 nan 8.180 nan 0.000 0.547 431 K N 1.168 121.698 120.400 0.217 0.000 2.182 431 K HA 0.619 4.941 4.320 0.003 0.000 0.262 431 K C -1.117 175.570 176.600 0.144 0.000 0.957 431 K CA -0.832 55.544 56.287 0.148 0.000 0.842 431 K CB 1.964 34.515 32.500 0.085 0.000 1.099 431 K HN 0.110 nan 8.250 nan 0.000 0.438 432 V N 3.087 123.076 119.914 0.125 0.000 2.378 432 V HA 0.142 4.263 4.120 0.003 0.000 0.288 432 V C -0.371 175.774 176.094 0.087 0.000 1.016 432 V CA -0.736 61.623 62.300 0.098 0.000 0.840 432 V CB 1.358 33.222 31.823 0.069 0.000 0.994 432 V HN 0.733 nan 8.190 nan 0.000 0.431 433 E N 5.198 125.451 120.200 0.090 0.000 1.893 433 E HA 0.259 4.611 4.350 0.003 0.000 0.269 433 E C 0.161 176.784 176.600 0.037 0.000 1.129 433 E CA -0.359 56.097 56.400 0.094 0.000 0.904 433 E CB 0.522 30.308 29.700 0.144 0.000 1.077 433 E HN 0.642 nan 8.360 nan 0.000 0.407 434 R N 1.656 122.173 120.500 0.027 0.000 2.541 434 R HA 0.347 4.688 4.340 0.003 0.000 0.263 434 R C 0.316 176.580 176.300 -0.060 0.000 1.112 434 R CA -0.747 55.324 56.100 -0.048 0.000 1.170 434 R CB 0.442 30.727 30.300 -0.024 0.000 1.167 434 R HN 0.376 nan 8.270 nan 0.000 0.582 435 H N -0.299 118.763 119.070 -0.014 0.000 2.745 435 H HA 0.087 4.643 4.556 0.000 0.000 0.373 435 H C 0.138 175.493 175.328 0.046 0.000 1.226 435 H CA -0.070 55.981 56.048 0.005 0.000 1.435 435 H CB 0.589 30.275 29.762 -0.126 0.000 1.461 435 H HN 0.250 nan 8.280 nan 0.000 0.616 436 I N 2.107 122.834 120.570 0.262 0.000 2.496 436 I HA -0.007 4.164 4.170 0.003 0.000 0.285 436 I C 0.819 177.073 176.117 0.227 0.000 1.080 436 I CA 0.666 62.088 61.300 0.203 0.000 1.404 436 I CB 0.114 38.235 38.000 0.202 0.000 1.403 436 I HN 0.351 nan 8.210 nan 0.000 0.539 437 M N 2.761 122.457 119.600 0.160 0.000 2.792 437 M HA 0.474 4.955 4.480 0.003 0.000 0.290 437 M C -0.461 175.902 176.300 0.104 0.000 1.155 437 M CA -1.235 54.177 55.300 0.187 0.000 0.781 437 M CB 0.643 33.331 32.600 0.147 0.000 1.741 437 M HN 0.223 nan 8.290 nan 0.000 0.473 438 D N 1.697 122.144 120.400 0.080 0.000 2.419 438 D HA 0.066 4.708 4.640 0.003 0.000 0.236 438 D C -0.382 175.940 176.300 0.036 0.000 1.165 438 D CA 0.923 54.947 54.000 0.041 0.000 0.882 438 D CB 0.156 40.972 40.800 0.026 0.000 1.201 438 D HN 0.510 nan 8.370 nan 0.000 0.443 439 N N 2.076 120.793 118.700 0.030 0.000 2.573 439 N HA -0.176 4.565 4.740 0.003 0.000 0.280 439 N C -1.259 174.269 175.510 0.030 0.000 1.187 439 N CA 0.845 53.911 53.050 0.027 0.000 0.717 439 N CB -0.461 38.037 38.487 0.018 0.000 0.899 439 N HN 0.397 nan 8.380 nan 0.000 0.546 440 D N -0.281 120.147 120.400 0.046 0.000 2.581 440 D HA 0.450 5.092 4.640 0.003 0.000 0.232 440 D C -2.597 173.753 176.300 0.083 0.000 1.143 440 D CA -1.315 52.721 54.000 0.061 0.000 0.881 440 D CB 2.178 43.022 40.800 0.073 0.000 1.500 440 D HN -0.057 nan 8.370 nan 0.000 0.458 441 P HA 0.185 nan 4.420 nan 0.000 0.286 441 P C -0.610 176.775 177.300 0.142 0.000 1.321 441 P CA -0.390 62.778 63.100 0.114 0.000 0.790 441 P CB 0.626 32.393 31.700 0.113 0.000 0.897 442 V N 2.510 122.517 119.914 0.154 0.000 2.680 442 V HA 0.477 4.598 4.120 0.003 0.000 0.309 442 V C -0.334 175.902 176.094 0.236 0.000 1.052 442 V CA -1.055 61.356 62.300 0.187 0.000 0.908 442 V CB 2.536 34.459 31.823 0.167 0.000 1.001 442 V HN 0.351 nan 8.190 nan 0.000 0.431 443 L N 4.565 125.943 121.223 0.258 0.000 2.262 443 L HA 0.572 4.914 4.340 0.003 0.000 0.288 443 L C -1.492 175.584 176.870 0.343 0.000 1.035 443 L CA -0.395 54.612 54.840 0.278 0.000 0.820 443 L CB 0.948 43.134 42.059 0.211 0.000 1.204 443 L HN 0.792 nan 8.230 nan 0.000 0.424 444 F N 6.684 126.729 119.950 0.159 0.000 2.375 444 F HA 0.375 4.904 4.527 0.002 0.000 0.361 444 F C 0.258 176.228 175.800 0.283 0.000 1.117 444 F CA -0.704 57.327 58.000 0.051 0.000 1.037 444 F CB 0.806 39.698 39.000 -0.180 0.000 1.192 444 F HN 0.605 nan 8.300 nan 0.000 0.452 445 N N 4.848 123.493 118.700 -0.092 0.000 3.178 445 N HA 0.609 5.351 4.740 0.003 0.000 0.352 445 N C -1.344 174.090 175.510 -0.127 0.000 1.423 445 N CA -0.672 52.406 53.050 0.046 0.000 0.698 445 N CB 1.312 39.825 38.487 0.043 0.000 1.400 445 N HN 0.631 nan 8.380 nan 0.000 0.586 446 R N -1.383 119.096 120.500 -0.035 0.000 2.728 446 R HA 0.171 4.513 4.340 0.003 0.000 0.259 446 R C -1.645 174.631 176.300 -0.040 0.000 1.057 446 R CA -0.441 55.623 56.100 -0.060 0.000 0.908 446 R CB 1.236 31.555 30.300 0.033 0.000 1.259 446 R HN 0.631 nan 8.270 nan 0.000 0.472 447 Q N 2.338 122.108 119.800 -0.051 0.000 2.235 447 Q HA 0.464 4.806 4.340 0.003 0.000 0.256 447 Q C -2.332 173.643 176.000 -0.042 0.000 0.951 447 Q CA -1.667 54.111 55.803 -0.043 0.000 0.890 447 Q CB 1.251 29.967 28.738 -0.037 0.000 1.279 447 Q HN 0.312 nan 8.270 nan 0.000 0.444 448 P HA 0.189 nan 4.420 nan 0.000 0.293 448 P C -1.218 176.035 177.300 -0.079 0.000 1.300 448 P CA -0.751 62.316 63.100 -0.055 0.000 0.792 448 P CB 1.217 32.885 31.700 -0.054 0.000 0.925 449 S N 2.595 118.247 115.700 -0.079 0.000 2.481 449 S HA 0.307 4.779 4.470 0.003 0.000 0.276 449 S C 0.475 174.978 174.600 -0.162 0.000 1.247 449 S CA -0.436 57.701 58.200 -0.106 0.000 1.053 449 S CB 0.011 63.167 63.200 -0.073 0.000 0.925 449 S HN 0.306 nan 8.310 nan 0.000 0.491 450 L N 1.113 122.165 121.223 -0.285 0.000 3.217 450 L HA 0.473 4.815 4.340 0.003 0.000 0.288 450 L C -0.080 176.498 176.870 -0.488 0.000 1.202 450 L CA -0.322 54.296 54.840 -0.370 0.000 1.027 450 L CB -0.497 41.326 42.059 -0.393 0.000 1.427 450 L HN 0.692 nan 8.230 nan 0.000 0.600 451 H N -0.537 118.469 119.070 -0.107 0.000 2.670 451 H HA 0.384 4.941 4.556 0.002 0.000 0.361 451 H C 0.496 175.750 175.328 -0.124 0.000 1.169 451 H CA -0.996 54.977 56.048 -0.125 0.000 1.198 451 H CB 1.370 31.048 29.762 -0.140 0.000 1.700 451 H HN -0.078 nan 8.280 nan 0.000 0.542 452 K N 0.612 121.019 120.400 0.012 0.000 2.107 452 K HA -0.253 4.069 4.320 0.003 0.000 0.211 452 K C 1.073 177.643 176.600 -0.050 0.000 1.049 452 K CA 2.191 58.454 56.287 -0.039 0.000 0.927 452 K CB -0.267 32.194 32.500 -0.066 0.000 0.714 452 K HN 0.423 nan 8.250 nan 0.000 0.452 453 M N 1.320 120.896 119.600 -0.039 0.000 2.619 453 M HA 0.049 4.530 4.480 0.003 0.000 0.251 453 M C 1.914 178.106 176.300 -0.181 0.000 1.106 453 M CA 0.602 55.816 55.300 -0.144 0.000 1.086 453 M CB 0.227 32.678 32.600 -0.248 0.000 1.465 453 M HN 0.165 nan 8.290 nan 0.000 0.506 454 S N -0.014 115.662 115.700 -0.041 0.000 2.370 454 S HA 0.028 4.500 4.470 0.003 0.000 0.226 454 S C 0.937 175.394 174.600 -0.238 0.000 1.033 454 S CA 0.970 59.096 58.200 -0.123 0.000 1.011 454 S CB 0.004 63.165 63.200 -0.065 0.000 0.852 454 S HN 0.371 nan 8.310 nan 0.000 0.457 455 M N 1.724 121.251 119.600 -0.123 0.000 2.367 455 M HA 0.493 4.975 4.480 0.003 0.000 0.339 455 M C -0.390 175.892 176.300 -0.030 0.000 1.177 455 M CA 0.019 55.303 55.300 -0.028 0.000 1.068 455 M CB 1.564 34.163 32.600 -0.002 0.000 1.602 455 M HN 0.316 nan 8.290 nan 0.000 0.457 456 M N 0.975 120.648 119.600 0.121 0.000 2.956 456 M HA 0.636 5.117 4.480 0.003 0.000 0.272 456 M C -1.942 174.518 176.300 0.266 0.000 1.132 456 M CA -1.045 54.325 55.300 0.118 0.000 0.805 456 M CB 1.592 34.195 32.600 0.004 0.000 1.639 456 M HN 0.579 nan 8.290 nan 0.000 0.520 457 A N 0.973 123.882 122.820 0.149 0.000 2.309 457 A HA 0.749 5.071 4.320 0.003 0.000 0.298 457 A C -0.852 176.816 177.584 0.140 0.000 1.165 457 A CA -0.310 51.831 52.037 0.174 0.000 0.821 457 A CB 0.214 19.267 19.000 0.088 0.000 1.102 457 A HN 0.856 nan 8.150 nan 0.000 0.500 458 H N 0.889 119.999 119.070 0.067 0.000 2.754 458 H HA 0.466 5.024 4.556 0.003 0.000 0.352 458 H C -0.480 174.846 175.328 -0.004 0.000 1.213 458 H CA -0.872 55.176 56.048 0.001 0.000 1.244 458 H CB 1.520 31.229 29.762 -0.090 0.000 1.843 458 H HN 0.666 nan 8.280 nan 0.000 0.587 459 R N 0.750 121.313 120.500 0.106 0.000 2.474 459 R HA 0.315 4.657 4.340 0.003 0.000 0.295 459 R C -0.836 175.491 176.300 0.045 0.000 0.980 459 R CA -0.765 55.371 56.100 0.059 0.000 0.934 459 R CB 1.544 31.863 30.300 0.031 0.000 1.101 459 R HN 0.245 nan 8.270 nan 0.000 0.469 460 V N 2.215 122.154 119.914 0.041 0.000 2.432 460 V HA 0.262 4.383 4.120 0.003 0.000 0.271 460 V C 0.007 176.109 176.094 0.014 0.000 1.046 460 V CA -0.616 61.702 62.300 0.029 0.000 0.945 460 V CB 0.800 32.657 31.823 0.057 0.000 0.992 460 V HN 0.577 nan 8.190 nan 0.000 0.471 461 K N 4.490 124.886 120.400 -0.006 0.000 2.293 461 K HA 0.559 4.880 4.320 0.003 0.000 0.267 461 K C -0.823 175.750 176.600 -0.044 0.000 1.010 461 K CA -0.423 55.852 56.287 -0.020 0.000 0.875 461 K CB 1.440 33.929 32.500 -0.018 0.000 1.106 461 K HN 0.566 nan 8.250 nan 0.000 0.450 462 V N 6.114 125.980 119.914 -0.079 0.000 2.686 462 V HA 0.334 4.456 4.120 0.003 0.000 0.295 462 V C 0.306 176.307 176.094 -0.155 0.000 1.055 462 V CA -0.285 61.922 62.300 -0.155 0.000 1.050 462 V CB 0.100 31.727 31.823 -0.327 0.000 0.984 462 V HN 0.743 nan 8.190 nan 0.000 0.482 463 I N 2.822 123.299 120.570 -0.155 0.000 3.279 463 I HA 0.748 4.920 4.170 0.003 0.000 0.315 463 I C -2.701 173.319 176.117 -0.161 0.000 1.187 463 I CA -2.486 58.743 61.300 -0.119 0.000 0.953 463 I CB 1.345 39.313 38.000 -0.053 0.000 1.279 463 I HN 0.371 nan 8.210 nan 0.000 0.465 464 P HA 0.234 nan 4.420 nan 0.000 0.277 464 P C -1.400 175.719 177.300 -0.300 0.000 1.276 464 P CA -0.021 62.849 63.100 -0.383 0.000 0.788 464 P CB 0.040 31.405 31.700 -0.559 0.000 1.114 465 Y N -2.512 117.740 120.300 -0.079 0.000 2.562 465 Y HA -0.197 4.356 4.550 0.004 0.000 0.040 465 Y C 1.382 177.220 175.900 -0.104 0.000 1.750 465 Y CA 0.442 58.495 58.100 -0.079 0.000 1.377 465 Y CB -2.514 35.905 38.460 -0.068 0.000 2.024 465 Y HN 0.266 nan 8.280 nan 0.000 0.263 466 S N -0.127 115.579 115.700 0.011 0.000 2.751 466 S HA -0.033 4.438 4.470 0.003 0.000 0.248 466 S C 0.783 175.320 174.600 -0.105 0.000 0.979 466 S CA 0.762 58.924 58.200 -0.064 0.000 0.987 466 S CB -0.744 62.434 63.200 -0.037 0.000 0.777 466 S HN 0.848 nan 8.310 nan 0.000 0.544 467 T N -1.248 113.261 114.554 -0.074 0.000 2.932 467 T HA 0.666 5.018 4.350 0.003 0.000 0.289 467 T C -0.487 174.139 174.700 -0.123 0.000 1.039 467 T CA -1.060 60.998 62.100 -0.070 0.000 1.024 467 T CB 0.735 69.614 68.868 0.018 0.000 1.090 467 T HN 0.065 nan 8.240 nan 0.000 0.496 468 F N 1.668 121.650 119.950 0.054 0.000 2.424 468 F HA 0.454 4.984 4.527 0.004 0.000 0.356 468 F C 1.374 177.175 175.800 0.003 0.000 1.110 468 F CA -0.836 57.187 58.000 0.038 0.000 1.161 468 F CB 1.000 40.109 39.000 0.181 0.000 1.115 468 F HN 0.296 nan 8.300 nan 0.000 0.507 469 R N 5.346 125.920 120.500 0.124 0.000 2.295 469 R HA 0.640 4.981 4.340 0.003 0.000 0.324 469 R C -1.349 174.925 176.300 -0.044 0.000 0.968 469 R CA -0.949 55.158 56.100 0.013 0.000 0.837 469 R CB 1.337 31.624 30.300 -0.022 0.000 1.133 469 R HN 0.489 nan 8.270 nan 0.000 0.450 470 L N -0.320 120.888 121.223 -0.024 0.000 2.327 470 L HA 0.505 4.847 4.340 0.003 0.000 0.258 470 L C -0.058 176.829 176.870 0.028 0.000 1.024 470 L CA -1.180 53.633 54.840 -0.045 0.000 0.825 470 L CB 0.852 42.840 42.059 -0.117 0.000 1.386 470 L HN 0.344 nan 8.230 nan 0.000 0.417 471 N N 1.158 119.883 118.700 0.042 0.000 2.429 471 N HA 0.075 4.817 4.740 0.003 0.000 0.271 471 N C 0.971 176.553 175.510 0.120 0.000 1.272 471 N CA 0.243 53.327 53.050 0.056 0.000 0.921 471 N CB 0.563 39.072 38.487 0.037 0.000 1.128 471 N HN 0.817 nan 8.380 nan 0.000 0.481 472 L N 3.063 124.372 121.223 0.142 0.000 2.095 472 L HA -0.396 3.946 4.340 0.003 0.000 0.229 472 L C 2.474 179.450 176.870 0.176 0.000 1.097 472 L CA 1.739 56.715 54.840 0.226 0.000 0.813 472 L CB -1.001 41.156 42.059 0.163 0.000 0.907 472 L HN 0.517 nan 8.230 nan 0.000 0.445 473 S N -1.045 114.737 115.700 0.137 0.000 2.381 473 S HA -0.215 4.256 4.470 0.003 0.000 0.230 473 S C 1.381 176.014 174.600 0.055 0.000 1.052 473 S CA 1.542 59.813 58.200 0.119 0.000 1.068 473 S CB -0.358 62.882 63.200 0.068 0.000 0.918 473 S HN 0.234 nan 8.310 nan 0.000 0.448 474 V N 1.792 121.747 119.914 0.067 0.000 3.299 474 V HA 0.098 4.220 4.120 0.003 0.000 0.369 474 V C 1.194 177.436 176.094 0.248 0.000 1.245 474 V CA 0.836 63.232 62.300 0.161 0.000 1.459 474 V CB -0.557 31.431 31.823 0.275 0.000 1.203 474 V HN 0.443 nan 8.190 nan 0.000 0.451 475 T N -1.459 113.191 114.554 0.161 0.000 3.085 475 T HA 0.156 4.507 4.350 0.003 0.000 0.264 475 T C 1.642 176.388 174.700 0.076 0.000 1.019 475 T CA 0.926 63.087 62.100 0.103 0.000 0.910 475 T CB 0.316 69.203 68.868 0.031 0.000 1.059 475 T HN 0.553 nan 8.240 nan 0.000 0.542 476 S N 1.641 117.394 115.700 0.088 0.000 2.338 476 S HA 0.164 4.636 4.470 0.003 0.000 0.197 476 S C -0.863 173.756 174.600 0.033 0.000 0.990 476 S CA 0.194 58.417 58.200 0.040 0.000 0.920 476 S CB -0.441 62.765 63.200 0.011 0.000 0.903 476 S HN 0.376 nan 8.310 nan 0.000 0.542 477 P HA -0.230 nan 4.420 nan 0.000 0.219 477 P C 0.776 178.048 177.300 -0.048 0.000 1.159 477 P CA 1.916 64.936 63.100 -0.132 0.000 0.944 477 P CB -0.434 31.095 31.700 -0.285 0.000 0.792 478 Y N -0.685 119.644 120.300 0.048 0.000 2.165 478 Y HA -0.142 4.410 4.550 0.003 0.000 0.286 478 Y C 1.162 177.059 175.900 -0.005 0.000 1.155 478 Y CA 1.536 59.650 58.100 0.023 0.000 1.164 478 Y CB -1.242 37.227 38.460 0.016 0.000 0.978 478 Y HN 0.092 nan 8.280 nan 0.000 0.513 479 N N -0.389 118.394 118.700 0.140 0.000 2.372 479 N HA 0.001 4.743 4.740 0.003 0.000 0.282 479 N C -1.400 174.106 175.510 -0.006 0.000 1.425 479 N CA 0.673 53.751 53.050 0.046 0.000 0.663 479 N CB -0.845 37.667 38.487 0.042 0.000 0.903 479 N HN 0.623 nan 8.380 nan 0.000 0.495 480 A N 2.313 125.086 122.820 -0.077 0.000 1.756 480 A HA 0.381 4.702 4.320 0.003 0.000 0.245 480 A C -0.463 176.918 177.584 -0.339 0.000 0.947 480 A CA -0.312 51.635 52.037 -0.149 0.000 0.722 480 A CB -0.293 18.642 19.000 -0.109 0.000 0.686 480 A HN 0.719 nan 8.150 nan 0.000 0.328 481 D N 1.035 121.220 120.400 -0.358 0.000 2.315 481 D HA 0.557 5.199 4.640 0.003 0.000 0.275 481 D C 0.324 176.171 176.300 -0.755 0.000 1.218 481 D CA -0.002 53.629 54.000 -0.614 0.000 1.040 481 D CB 0.023 40.660 40.800 -0.273 0.000 1.123 481 D HN 0.399 nan 8.370 nan 0.000 0.541 482 F N -0.611 119.340 119.950 0.001 0.000 2.850 482 F HA 0.193 4.722 4.527 0.003 0.000 0.306 482 F C 0.819 176.616 175.800 -0.005 0.000 1.162 482 F CA -0.639 57.360 58.000 -0.002 0.000 1.327 482 F CB -0.005 38.991 39.000 -0.007 0.000 0.953 482 F HN 0.142 nan 8.300 nan 0.000 0.507 483 D N -0.476 119.961 120.400 0.062 0.000 2.324 483 D HA 0.163 4.805 4.640 0.003 0.000 0.235 483 D C 1.690 178.011 176.300 0.034 0.000 1.095 483 D CA 0.783 54.808 54.000 0.041 0.000 0.871 483 D CB 0.240 41.046 40.800 0.010 0.000 0.906 483 D HN 0.429 nan 8.370 nan 0.000 0.522 484 G N 0.435 109.264 108.800 0.048 0.000 2.551 484 G HA2 -0.197 3.765 3.960 0.003 0.000 0.186 484 G HA3 -0.197 3.765 3.960 0.003 0.000 0.186 484 G C -0.464 174.456 174.900 0.033 0.000 1.002 484 G CA -0.154 44.970 45.100 0.041 0.000 0.723 484 G HN 0.404 nan 8.290 nan 0.000 0.481 485 D N 1.718 122.125 120.400 0.013 0.000 2.583 485 D HA 0.299 4.940 4.640 0.003 0.000 0.232 485 D C 0.439 176.749 176.300 0.017 0.000 1.128 485 D CA 0.565 54.563 54.000 -0.005 0.000 0.859 485 D CB 0.913 41.688 40.800 -0.042 0.000 1.169 485 D HN 0.528 nan 8.370 nan 0.000 0.481 486 E N 0.714 120.916 120.200 0.005 0.000 2.318 486 E HA 0.481 4.833 4.350 0.003 0.000 0.265 486 E C -0.010 176.552 176.600 -0.063 0.000 1.069 486 E CA -0.535 55.877 56.400 0.019 0.000 0.893 486 E CB 1.012 30.723 29.700 0.017 0.000 1.076 486 E HN 0.409 nan 8.360 nan 0.000 0.414 487 M N 1.285 120.819 119.600 -0.109 0.000 2.658 487 M HA 0.411 4.893 4.480 0.003 0.000 0.295 487 M C -1.115 174.844 176.300 -0.569 0.000 1.248 487 M CA -1.144 53.881 55.300 -0.458 0.000 0.843 487 M CB 1.919 34.007 32.600 -0.853 0.000 1.749 487 M HN 0.304 nan 8.290 nan 0.000 0.464 488 N N 1.403 119.681 118.700 -0.704 0.000 2.321 488 N HA 0.718 5.460 4.740 0.003 0.000 0.299 488 N C -1.683 173.526 175.510 -0.502 0.000 1.048 488 N CA -0.504 52.256 53.050 -0.484 0.000 0.836 488 N CB 1.951 40.275 38.487 -0.272 0.000 1.269 488 N HN 0.498 nan 8.380 nan 0.000 0.486 489 L N 1.662 122.700 121.223 -0.307 0.000 2.334 489 L HA 0.474 4.816 4.340 0.003 0.000 0.276 489 L C -0.950 175.806 176.870 -0.189 0.000 1.014 489 L CA -0.449 54.361 54.840 -0.049 0.000 0.815 489 L CB 0.948 43.112 42.059 0.174 0.000 1.268 489 L HN 0.535 nan 8.230 nan 0.000 0.428 490 H N 4.426 123.577 119.070 0.136 0.000 3.013 490 H HA 0.349 4.907 4.556 0.003 0.000 0.326 490 H C -1.210 174.205 175.328 0.144 0.000 0.973 490 H CA -0.565 55.562 56.048 0.131 0.000 1.369 490 H CB 1.764 31.580 29.762 0.090 0.000 1.598 490 H HN 0.294 nan 8.280 nan 0.000 0.518 491 V N 6.122 126.187 119.914 0.251 0.000 2.389 491 V HA 0.133 4.254 4.120 0.003 0.000 0.264 491 V C -1.789 174.356 176.094 0.084 0.000 1.049 491 V CA -1.452 60.957 62.300 0.182 0.000 0.932 491 V CB 0.539 32.468 31.823 0.177 0.000 1.011 491 V HN 0.546 nan 8.190 nan 0.000 0.475 492 P HA 0.114 nan 4.420 nan 0.000 0.270 492 P C -0.236 176.917 177.300 -0.245 0.000 1.223 492 P CA 0.022 63.099 63.100 -0.039 0.000 0.785 492 P CB 1.068 32.777 31.700 0.015 0.000 0.923 493 Q N -0.832 118.767 119.800 -0.335 0.000 2.342 493 Q HA 0.144 4.486 4.340 0.003 0.000 0.261 493 Q C 0.396 176.067 176.000 -0.549 0.000 0.841 493 Q CA 0.467 55.913 55.803 -0.595 0.000 0.969 493 Q CB 0.027 28.477 28.738 -0.479 0.000 1.136 493 Q HN 0.378 nan 8.270 nan 0.000 0.528 494 S N 2.073 117.609 115.700 -0.275 0.000 2.562 494 S HA 0.127 4.599 4.470 0.003 0.000 0.275 494 S C 1.086 175.653 174.600 -0.056 0.000 1.281 494 S CA -0.425 57.687 58.200 -0.145 0.000 1.045 494 S CB 1.578 64.736 63.200 -0.069 0.000 0.962 494 S HN 0.081 nan 8.310 nan 0.000 0.503 495 E N 2.028 122.252 120.200 0.039 0.000 2.219 495 E HA -0.195 4.156 4.350 0.003 0.000 0.198 495 E C 1.823 178.473 176.600 0.084 0.000 0.998 495 E CA 1.268 57.743 56.400 0.125 0.000 0.818 495 E CB 0.055 29.831 29.700 0.128 0.000 0.741 495 E HN 0.838 nan 8.360 nan 0.000 0.477 496 E N -0.780 119.449 120.200 0.048 0.000 2.060 496 E HA -0.046 4.305 4.350 0.003 0.000 0.189 496 E C 1.967 178.586 176.600 0.032 0.000 0.974 496 E CA 0.964 57.389 56.400 0.041 0.000 0.808 496 E CB -0.633 29.086 29.700 0.031 0.000 0.768 496 E HN -0.038 nan 8.360 nan 0.000 0.453 497 T N 1.536 116.097 114.554 0.011 0.000 2.760 497 T HA -0.185 4.166 4.350 0.003 0.000 0.269 497 T C 1.761 176.480 174.700 0.031 0.000 1.047 497 T CA 1.765 63.867 62.100 0.003 0.000 1.139 497 T CB -0.211 68.638 68.868 -0.031 0.000 0.855 497 T HN 0.220 nan 8.240 nan 0.000 0.471 498 R N 1.302 121.838 120.500 0.059 0.000 2.127 498 R HA 0.068 4.409 4.340 0.003 0.000 0.219 498 R C 2.925 179.266 176.300 0.070 0.000 1.133 498 R CA 1.182 57.340 56.100 0.096 0.000 0.890 498 R CB -1.062 29.328 30.300 0.151 0.000 0.804 498 R HN 0.339 nan 8.270 nan 0.000 0.443 499 A N 1.642 124.501 122.820 0.065 0.000 1.916 499 A HA -0.355 3.967 4.320 0.003 0.000 0.224 499 A C 2.108 179.718 177.584 0.042 0.000 1.366 499 A CA 2.376 54.444 52.037 0.052 0.000 0.692 499 A CB -0.998 18.033 19.000 0.052 0.000 0.841 499 A HN 0.595 nan 8.150 nan 0.000 0.480 500 E N -0.848 119.375 120.200 0.038 0.000 2.267 500 E HA -0.152 4.199 4.350 0.003 0.000 0.197 500 E C 1.869 178.482 176.600 0.022 0.000 0.998 500 E CA 0.907 57.323 56.400 0.027 0.000 0.830 500 E CB -0.170 29.541 29.700 0.017 0.000 0.751 500 E HN 0.711 nan 8.360 nan 0.000 0.491 501 L N -0.250 120.993 121.223 0.033 0.000 2.102 501 L HA -0.091 4.251 4.340 0.003 0.000 0.202 501 L C 2.484 179.372 176.870 0.032 0.000 1.076 501 L CA 1.151 56.014 54.840 0.039 0.000 0.761 501 L CB -0.243 41.854 42.059 0.063 0.000 0.921 501 L HN 0.158 nan 8.230 nan 0.000 0.444 502 S N -1.143 114.578 115.700 0.035 0.000 2.436 502 S HA -0.084 4.388 4.470 0.003 0.000 0.228 502 S C 1.769 176.375 174.600 0.010 0.000 1.014 502 S CA 0.408 58.622 58.200 0.023 0.000 0.950 502 S CB -0.075 63.144 63.200 0.032 0.000 0.784 502 S HN 0.373 nan 8.310 nan 0.000 0.504 503 Q N 0.496 120.304 119.800 0.015 0.000 2.259 503 Q HA 0.308 4.649 4.340 0.003 0.000 0.201 503 Q C 1.725 177.724 176.000 -0.002 0.000 0.938 503 Q CA 0.703 56.512 55.803 0.011 0.000 0.872 503 Q CB -0.369 28.384 28.738 0.025 0.000 0.971 503 Q HN 0.464 nan 8.270 nan 0.000 0.494 504 L N -1.124 120.097 121.223 -0.003 0.000 2.433 504 L HA 0.088 4.429 4.340 0.003 0.000 0.200 504 L C 2.195 179.046 176.870 -0.031 0.000 1.059 504 L CA 0.819 55.648 54.840 -0.019 0.000 0.835 504 L CB -0.699 41.352 42.059 -0.013 0.000 1.076 504 L HN 0.081 nan 8.230 nan 0.000 0.481 505 C N -0.025 119.263 119.300 -0.019 0.000 2.512 505 C HA 0.457 4.918 4.460 0.003 0.000 0.276 505 C C 1.648 176.619 174.990 -0.033 0.000 1.368 505 C CA -0.751 58.255 59.018 -0.021 0.000 1.755 505 C CB -0.943 26.801 27.740 0.008 0.000 2.008 505 C HN 0.413 nan 8.230 nan 0.000 0.511 506 A N 0.977 123.778 122.820 -0.031 0.000 2.613 506 A HA 0.204 4.526 4.320 0.003 0.000 0.230 506 A C 1.419 178.938 177.584 -0.108 0.000 1.051 506 A CA 0.431 52.434 52.037 -0.057 0.000 0.754 506 A CB 0.250 19.224 19.000 -0.043 0.000 0.979 506 A HN 0.264 nan 8.150 nan 0.000 0.510 507 V N 3.073 122.878 119.914 -0.182 0.000 2.307 507 V HA -0.142 3.980 4.120 0.003 0.000 0.245 507 V C -0.395 175.585 176.094 -0.190 0.000 1.045 507 V CA 2.595 64.750 62.300 -0.242 0.000 1.024 507 V CB -1.454 30.094 31.823 -0.457 0.000 0.651 507 V HN 0.831 nan 8.190 nan 0.000 0.449 508 P HA -0.102 nan 4.420 nan 0.000 0.217 508 P C 1.547 178.783 177.300 -0.108 0.000 1.150 508 P CA 1.190 64.213 63.100 -0.129 0.000 0.832 508 P CB -0.170 31.479 31.700 -0.086 0.000 0.787 509 L N -1.003 120.162 121.223 -0.097 0.000 2.784 509 L HA -0.096 4.245 4.340 0.003 0.000 0.247 509 L C 1.638 178.436 176.870 -0.119 0.000 1.162 509 L CA 0.787 55.569 54.840 -0.097 0.000 0.881 509 L CB -0.928 41.084 42.059 -0.078 0.000 1.032 509 L HN -0.018 nan 8.230 nan 0.000 0.446 510 Q N -0.711 119.008 119.800 -0.135 0.000 2.281 510 Q HA 0.213 4.554 4.340 0.003 0.000 0.215 510 Q C 2.116 178.022 176.000 -0.157 0.000 0.867 510 Q CA 0.291 56.003 55.803 -0.151 0.000 0.940 510 Q CB 0.418 29.058 28.738 -0.164 0.000 1.111 510 Q HN 0.509 nan 8.270 nan 0.000 0.513 511 I N -0.366 120.120 120.570 -0.139 0.000 2.151 511 I HA -0.185 3.987 4.170 0.003 0.000 0.243 511 I C 0.864 176.904 176.117 -0.129 0.000 1.080 511 I CA 1.038 62.272 61.300 -0.111 0.000 1.339 511 I CB 0.148 38.123 38.000 -0.041 0.000 1.039 511 I HN -0.113 nan 8.210 nan 0.000 0.409 512 V N 1.397 121.206 119.914 -0.176 0.000 2.318 512 V HA 0.189 4.311 4.120 0.003 0.000 0.271 512 V C 0.090 176.048 176.094 -0.227 0.000 1.030 512 V CA -0.217 61.931 62.300 -0.253 0.000 0.844 512 V CB 1.085 32.697 31.823 -0.353 0.000 1.015 512 V HN 0.262 nan 8.190 nan 0.000 0.460 513 S N 8.691 124.270 115.700 -0.201 0.000 2.525 513 S HA 0.487 4.959 4.470 0.003 0.000 0.278 513 S C -1.086 173.438 174.600 -0.125 0.000 1.234 513 S CA -1.331 56.765 58.200 -0.174 0.000 1.058 513 S CB 1.680 64.759 63.200 -0.201 0.000 0.983 513 S HN 0.614 nan 8.310 nan 0.000 0.495 514 P HA -0.221 nan 4.420 nan 0.000 0.216 514 P C 1.431 178.807 177.300 0.127 0.000 1.150 514 P CA 1.227 64.350 63.100 0.038 0.000 0.843 514 P CB 0.014 31.750 31.700 0.061 0.000 0.787 515 Q N 0.154 119.950 119.800 -0.006 0.000 2.103 515 Q HA -0.180 4.162 4.340 0.003 0.000 0.213 515 Q C 0.638 176.643 176.000 0.007 0.000 1.008 515 Q CA 2.462 58.247 55.803 -0.030 0.000 0.879 515 Q CB -0.231 28.431 28.738 -0.127 0.000 0.946 515 Q HN 0.150 nan 8.270 nan 0.000 0.413 516 S N -0.026 115.606 115.700 -0.114 0.000 3.025 516 S HA 0.103 4.575 4.470 0.003 0.000 0.251 516 S C -0.723 173.746 174.600 -0.218 0.000 0.954 516 S CA 0.093 58.114 58.200 -0.299 0.000 1.092 516 S CB 0.357 63.373 63.200 -0.307 0.000 1.079 516 S HN 0.702 nan 8.310 nan 0.000 0.543 517 N N 2.400 121.045 118.700 -0.093 0.000 2.693 517 N HA -0.287 4.455 4.740 0.003 0.000 0.250 517 N C -0.267 175.265 175.510 0.038 0.000 1.033 517 N CA 1.476 54.522 53.050 -0.007 0.000 0.747 517 N CB -1.342 37.197 38.487 0.087 0.000 0.964 517 N HN 0.609 nan 8.380 nan 0.000 0.540 518 K N -2.722 117.629 120.400 -0.081 0.000 2.495 518 K HA 0.592 4.913 4.320 0.003 0.000 0.268 518 K C -3.368 173.097 176.600 -0.226 0.000 1.008 518 K CA -1.793 54.422 56.287 -0.119 0.000 0.882 518 K CB 1.874 34.421 32.500 0.078 0.000 1.443 518 K HN -0.090 nan 8.250 nan 0.000 0.447 519 P HA 0.071 nan 4.420 nan 0.000 0.271 519 P C 0.674 177.917 177.300 -0.096 0.000 1.244 519 P CA -0.269 62.737 63.100 -0.156 0.000 0.793 519 P CB 0.485 32.142 31.700 -0.072 0.000 0.984 520 C N -1.537 117.710 119.300 -0.089 0.000 3.757 520 C HA 0.429 4.890 4.460 0.003 0.000 0.358 520 C C 0.651 175.614 174.990 -0.045 0.000 1.484 520 C CA -0.384 58.577 59.018 -0.095 0.000 1.862 520 C CB -0.833 26.798 27.740 -0.182 0.000 2.654 520 C HN 0.362 nan 8.230 nan 0.000 0.699 521 M N 2.257 121.863 119.600 0.010 0.000 2.227 521 M HA 0.651 5.132 4.480 0.003 0.000 0.335 521 M C -0.226 176.261 176.300 0.311 0.000 1.053 521 M CA 0.059 55.401 55.300 0.071 0.000 0.973 521 M CB 1.557 34.095 32.600 -0.104 0.000 1.623 521 M HN 0.369 nan 8.290 nan 0.000 0.434 522 G N 2.904 111.879 108.800 0.291 0.000 2.753 522 G HA2 0.609 4.571 3.960 0.003 0.000 0.297 522 G HA3 0.609 4.571 3.960 0.003 0.000 0.297 522 G C -0.775 174.252 174.900 0.212 0.000 1.430 522 G CA -0.761 44.497 45.100 0.263 0.000 1.040 522 G HN 0.611 nan 8.290 nan 0.000 0.530 523 I N 0.298 120.955 120.570 0.145 0.000 3.207 523 I HA 0.103 4.275 4.170 0.003 0.000 0.318 523 I C 0.915 177.070 176.117 0.064 0.000 1.200 523 I CA 1.325 62.682 61.300 0.095 0.000 1.451 523 I CB 0.251 38.239 38.000 -0.020 0.000 1.299 523 I HN 0.555 nan 8.210 nan 0.000 0.564 524 V N 1.396 121.343 119.914 0.056 0.000 3.279 524 V HA 0.522 4.643 4.120 0.003 0.000 0.296 524 V C -0.686 175.415 176.094 0.013 0.000 1.470 524 V CA -1.347 60.971 62.300 0.030 0.000 1.065 524 V CB 1.352 33.201 31.823 0.043 0.000 1.124 524 V HN 0.805 nan 8.190 nan 0.000 0.461 525 Q N -0.000 119.793 119.800 -0.010 0.000 2.069 525 Q HA -0.226 4.116 4.340 0.003 0.000 0.056 525 Q C 0.595 176.554 176.000 -0.070 0.000 1.379 525 Q CA 1.313 57.093 55.803 -0.038 0.000 0.204 525 Q CB -0.700 28.037 28.738 -0.002 0.000 4.410 525 Q HN 1.193 nan 8.270 nan 0.000 0.306 526 D N -0.269 120.058 120.400 -0.123 0.000 2.590 526 D HA -0.361 4.280 4.640 0.003 0.000 0.606 526 D C 1.491 177.740 176.300 -0.084 0.000 0.574 526 D CA 3.268 57.182 54.000 -0.143 0.000 1.522 526 D CB -1.433 39.294 40.800 -0.123 0.000 0.188 526 D HN 0.903 nan 8.370 nan 0.000 0.186 527 T N -0.086 114.438 114.554 -0.049 0.000 2.422 527 T HA -0.374 3.977 4.350 0.003 0.000 0.175 527 T C 1.654 176.339 174.700 -0.025 0.000 1.638 527 T CA 3.222 65.307 62.100 -0.025 0.000 0.937 527 T CB -1.266 67.595 68.868 -0.013 0.000 0.798 527 T HN 0.360 nan 8.240 nan 0.000 0.473 528 L N 1.983 123.185 121.223 -0.035 0.000 1.988 528 L HA 0.048 4.390 4.340 0.003 0.000 0.207 528 L C 2.923 179.769 176.870 -0.039 0.000 1.071 528 L CA 2.187 57.005 54.840 -0.036 0.000 0.744 528 L CB -1.395 40.645 42.059 -0.032 0.000 0.893 528 L HN 0.829 nan 8.230 nan 0.000 0.433 529 C N 0.179 119.430 119.300 -0.080 0.000 2.400 529 C HA -0.008 4.453 4.460 0.003 0.000 0.291 529 C C 2.341 177.302 174.990 -0.049 0.000 1.372 529 C CA 0.715 59.657 59.018 -0.128 0.000 1.800 529 C CB -2.080 25.450 27.740 -0.351 0.000 1.869 529 C HN 0.688 nan 8.230 nan 0.000 0.533 530 G N -0.730 108.077 108.800 0.012 0.000 2.848 530 G HA2 0.192 4.154 3.960 0.003 0.000 0.213 530 G HA3 0.192 4.154 3.960 0.003 0.000 0.213 530 G C 1.364 176.335 174.900 0.119 0.000 1.101 530 G CA 0.384 45.590 45.100 0.177 0.000 0.778 530 G HN 0.549 nan 8.290 nan 0.000 0.536 531 I N 0.220 120.802 120.570 0.021 0.000 2.676 531 I HA 0.027 4.199 4.170 0.003 0.000 0.259 531 I C 2.642 178.713 176.117 -0.077 0.000 1.194 531 I CA 0.491 61.762 61.300 -0.048 0.000 1.473 531 I CB 0.008 37.977 38.000 -0.052 0.000 1.096 531 I HN 0.123 nan 8.210 nan 0.000 0.443 532 R N 1.168 121.649 120.500 -0.032 0.000 2.061 532 R HA -0.165 4.176 4.340 0.003 0.000 0.230 532 R C 2.228 178.501 176.300 -0.046 0.000 1.140 532 R CA 1.283 57.365 56.100 -0.030 0.000 0.940 532 R CB -0.077 30.233 30.300 0.017 0.000 0.839 532 R HN 0.271 nan 8.270 nan 0.000 0.429 533 K N 0.653 121.077 120.400 0.040 0.000 2.034 533 K HA -0.215 4.106 4.320 0.003 0.000 0.214 533 K C 2.119 178.502 176.600 -0.362 0.000 1.051 533 K CA 1.623 57.954 56.287 0.074 0.000 0.931 533 K CB -0.546 32.250 32.500 0.494 0.000 0.715 533 K HN 0.140 nan 8.250 nan 0.000 0.446 534 L N 1.243 122.015 121.223 -0.752 0.000 2.189 534 L HA -0.166 4.175 4.340 0.003 0.000 0.214 534 L C 1.905 178.397 176.870 -0.631 0.000 1.097 534 L CA 1.891 55.992 54.840 -1.231 0.000 0.764 534 L CB -0.438 41.121 42.059 -0.833 0.000 0.900 534 L HN 0.092 nan 8.230 nan 0.000 0.436 535 T N -0.818 113.519 114.554 -0.363 0.000 3.037 535 T HA 0.223 4.575 4.350 0.003 0.000 0.252 535 T C 0.792 175.378 174.700 -0.189 0.000 1.073 535 T CA -0.489 61.471 62.100 -0.233 0.000 1.091 535 T CB -0.143 68.626 68.868 -0.164 0.000 0.935 535 T HN 0.097 nan 8.240 nan 0.000 0.488 536 L N 2.097 123.213 121.223 -0.179 0.000 2.685 536 L HA -0.100 4.241 4.340 0.003 0.000 0.305 536 L C 1.935 178.683 176.870 -0.203 0.000 1.258 536 L CA 0.310 55.062 54.840 -0.147 0.000 0.876 536 L CB 0.433 42.422 42.059 -0.115 0.000 1.124 536 L HN 0.135 nan 8.230 nan 0.000 0.507 537 R N 1.143 121.542 120.500 -0.168 0.000 2.105 537 R HA -0.172 4.169 4.340 0.003 0.000 0.239 537 R C 1.014 177.051 176.300 -0.439 0.000 1.135 537 R CA 1.612 57.579 56.100 -0.222 0.000 0.967 537 R CB -0.078 30.161 30.300 -0.102 0.000 0.861 537 R HN 0.686 nan 8.270 nan 0.000 0.442 538 D N -0.207 120.006 120.400 -0.311 0.000 2.363 538 D HA -0.021 4.621 4.640 0.003 0.000 0.226 538 D C -0.218 175.858 176.300 -0.374 0.000 1.020 538 D CA 0.733 54.548 54.000 -0.309 0.000 0.892 538 D CB 0.240 40.974 40.800 -0.110 0.000 0.900 538 D HN 0.047 nan 8.370 nan 0.000 0.531 539 T N 0.962 115.263 114.554 -0.422 0.000 2.762 539 T HA 0.308 4.660 4.350 0.003 0.000 0.303 539 T C -0.078 174.421 174.700 -0.335 0.000 0.977 539 T CA -0.246 61.693 62.100 -0.267 0.000 0.961 539 T CB 0.015 68.732 68.868 -0.252 0.000 0.944 539 T HN -0.127 nan 8.240 nan 0.000 0.481 540 F N 2.663 122.668 119.950 0.092 0.000 2.495 540 F HA 0.573 5.101 4.527 0.002 0.000 0.327 540 F C 0.302 176.203 175.800 0.168 0.000 1.103 540 F CA -1.320 56.752 58.000 0.122 0.000 0.949 540 F CB 1.527 40.597 39.000 0.117 0.000 1.142 540 F HN 0.291 nan 8.300 nan 0.000 0.457 541 I N 3.493 124.306 120.570 0.405 0.000 2.355 541 I HA 0.213 4.385 4.170 0.003 0.000 0.288 541 I C -0.145 176.141 176.117 0.283 0.000 0.999 541 I CA -0.649 60.827 61.300 0.294 0.000 1.163 541 I CB 1.316 39.431 38.000 0.191 0.000 1.316 541 I HN 0.665 nan 8.210 nan 0.000 0.454 542 E N 5.287 125.624 120.200 0.228 0.000 2.376 542 E HA 0.100 4.452 4.350 0.003 0.000 0.254 542 E C 0.908 177.537 176.600 0.048 0.000 1.213 542 E CA -0.728 55.802 56.400 0.216 0.000 0.945 542 E CB 1.259 31.068 29.700 0.181 0.000 1.057 542 E HN 0.448 nan 8.360 nan 0.000 0.479 543 L N 1.532 122.797 121.223 0.070 0.000 1.990 543 L HA -0.276 4.066 4.340 0.003 0.000 0.213 543 L C 1.761 178.550 176.870 -0.135 0.000 1.072 543 L CA 2.854 57.633 54.840 -0.102 0.000 0.755 543 L CB -0.974 41.139 42.059 0.089 0.000 0.889 543 L HN 0.815 nan 8.230 nan 0.000 0.432 544 D N -1.102 119.278 120.400 -0.033 0.000 2.133 544 D HA -0.315 4.326 4.640 0.003 0.000 0.192 544 D C 1.985 178.273 176.300 -0.020 0.000 1.001 544 D CA 2.003 55.992 54.000 -0.020 0.000 0.844 544 D CB -0.754 40.052 40.800 0.009 0.000 0.944 544 D HN 0.617 nan 8.370 nan 0.000 0.447 545 Q N 0.066 119.873 119.800 0.012 0.000 1.993 545 Q HA -0.086 4.256 4.340 0.003 0.000 0.202 545 Q C 2.538 178.500 176.000 -0.065 0.000 0.984 545 Q CA 1.482 57.337 55.803 0.087 0.000 0.837 545 Q CB -0.142 28.709 28.738 0.188 0.000 0.902 545 Q HN 0.188 nan 8.270 nan 0.000 0.423 546 V N 1.222 121.001 119.914 -0.225 0.000 2.511 546 V HA -0.307 3.815 4.120 0.003 0.000 0.257 546 V C 2.053 177.900 176.094 -0.412 0.000 1.088 546 V CA 1.663 63.692 62.300 -0.450 0.000 1.098 546 V CB -0.613 30.617 31.823 -0.988 0.000 0.674 546 V HN 0.319 nan 8.190 nan 0.000 0.470 547 L N -0.710 120.335 121.223 -0.297 0.000 2.102 547 L HA -0.024 4.318 4.340 0.003 0.000 0.202 547 L C 2.417 179.159 176.870 -0.214 0.000 1.076 547 L CA 1.257 55.943 54.840 -0.255 0.000 0.761 547 L CB -0.824 41.146 42.059 -0.148 0.000 0.921 547 L HN 0.257 nan 8.230 nan 0.000 0.444 548 N N 0.389 118.998 118.700 -0.152 0.000 2.025 548 N HA -0.188 4.554 4.740 0.003 0.000 0.194 548 N C 1.924 177.269 175.510 -0.275 0.000 1.044 548 N CA 1.730 54.672 53.050 -0.180 0.000 0.851 548 N CB -0.294 38.112 38.487 -0.135 0.000 1.036 548 N HN 0.294 nan 8.380 nan 0.000 0.422 549 M N 0.530 119.917 119.600 -0.355 0.000 2.226 549 M HA -0.234 4.247 4.480 0.003 0.000 0.257 549 M C 2.095 178.249 176.300 -0.243 0.000 1.070 549 M CA 1.545 56.665 55.300 -0.299 0.000 1.087 549 M CB -0.773 31.703 32.600 -0.206 0.000 1.278 549 M HN 0.081 nan 8.290 nan 0.000 0.426 550 L N -0.301 120.666 121.223 -0.427 0.000 2.034 550 L HA -0.273 4.069 4.340 0.003 0.000 0.217 550 L C 2.489 179.026 176.870 -0.554 0.000 1.077 550 L CA 2.120 56.487 54.840 -0.788 0.000 0.769 550 L CB -1.542 39.735 42.059 -1.304 0.000 0.890 550 L HN 0.343 nan 8.230 nan 0.000 0.435 551 Y N -2.037 117.976 120.300 -0.479 0.000 2.293 551 Y HA -0.243 4.308 4.550 0.003 0.000 0.291 551 Y C 2.347 178.197 175.900 -0.084 0.000 1.137 551 Y CA 0.673 58.659 58.100 -0.190 0.000 1.202 551 Y CB -0.839 37.510 38.460 -0.185 0.000 0.990 551 Y HN 0.201 nan 8.280 nan 0.000 0.537 552 W N 0.083 121.220 121.300 -0.271 0.000 2.321 552 W HA -0.148 4.514 4.660 0.002 0.000 0.306 552 W C 0.726 177.135 176.519 -0.184 0.000 1.217 552 W CA 1.151 58.306 57.345 -0.316 0.000 1.257 552 W CB -0.262 28.973 29.460 -0.375 0.000 1.145 552 W HN -0.339 nan 8.180 nan 0.000 0.509 553 V N 3.195 123.220 119.914 0.185 0.000 2.479 553 V HA -0.034 4.088 4.120 0.003 0.000 0.281 553 V C -1.085 175.128 176.094 0.198 0.000 1.031 553 V CA -0.617 61.779 62.300 0.160 0.000 1.038 553 V CB 1.079 32.969 31.823 0.111 0.000 0.981 553 V HN -0.069 nan 8.190 nan 0.000 0.478 554 P HA 0.117 nan 4.420 nan 0.000 0.249 554 P C -0.009 177.384 177.300 0.156 0.000 1.229 554 P CA 0.330 63.516 63.100 0.143 0.000 0.788 554 P CB 0.283 32.044 31.700 0.103 0.000 1.072 555 D N -2.479 118.030 120.400 0.182 0.000 2.513 555 D HA 0.064 4.706 4.640 0.003 0.000 0.222 555 D C -0.275 176.141 176.300 0.193 0.000 1.210 555 D CA -0.375 53.715 54.000 0.149 0.000 0.825 555 D CB -0.498 40.370 40.800 0.113 0.000 1.037 555 D HN 0.108 nan 8.370 nan 0.000 0.506 556 W N 3.541 124.883 121.300 0.070 0.000 2.303 556 W HA 0.135 4.797 4.660 0.002 0.000 0.318 556 W C 1.008 177.560 176.519 0.055 0.000 1.362 556 W CA -0.826 56.559 57.345 0.066 0.000 1.234 556 W CB 0.784 30.295 29.460 0.085 0.000 1.248 556 W HN -0.023 nan 8.180 nan 0.000 0.546 557 D N 3.305 123.392 120.400 -0.522 0.000 2.350 557 D HA -0.046 4.596 4.640 0.003 0.000 0.216 557 D C 1.582 177.363 176.300 -0.864 0.000 0.968 557 D CA 1.075 54.763 54.000 -0.520 0.000 0.894 557 D CB -0.429 40.204 40.800 -0.279 0.000 0.909 557 D HN 0.834 nan 8.370 nan 0.000 0.520 558 G N -0.761 106.861 108.800 -1.965 0.000 2.159 558 G HA2 -0.210 3.751 3.960 0.003 0.000 0.227 558 G HA3 -0.210 3.751 3.960 0.003 0.000 0.227 558 G C 0.028 174.345 174.900 -0.971 0.000 0.986 558 G CA 0.091 44.045 45.100 -1.911 0.000 0.651 558 G HN 0.397 nan 8.290 nan 0.000 0.523 559 V N 3.461 123.018 119.914 -0.596 0.000 2.257 559 V HA 0.365 4.486 4.120 0.003 0.000 0.269 559 V C 0.942 177.275 176.094 0.399 0.000 1.040 559 V CA -1.255 61.046 62.300 0.002 0.000 0.813 559 V CB 0.981 32.785 31.823 -0.032 0.000 1.065 559 V HN 0.305 nan 8.190 nan 0.000 0.457 560 I N 6.982 127.863 120.570 0.517 0.000 2.845 560 I HA 0.048 4.220 4.170 0.003 0.000 0.290 560 I C -1.413 174.937 176.117 0.389 0.000 1.202 560 I CA -0.824 60.767 61.300 0.486 0.000 1.406 560 I CB -0.215 38.014 38.000 0.381 0.000 1.383 560 I HN 0.381 nan 8.210 nan 0.000 0.549 561 P HA 0.059 nan 4.420 nan 0.000 0.268 561 P C -0.211 177.283 177.300 0.323 0.000 1.205 561 P CA -0.144 63.159 63.100 0.339 0.000 0.771 561 P CB 0.170 32.077 31.700 0.345 0.000 0.858 562 T N 4.636 119.259 114.554 0.116 0.000 2.928 562 T HA 0.205 4.556 4.350 0.003 0.000 0.305 562 T C -1.929 172.595 174.700 -0.293 0.000 1.035 562 T CA -0.824 61.245 62.100 -0.051 0.000 1.145 562 T CB -0.464 68.377 68.868 -0.045 0.000 0.963 562 T HN 0.407 nan 8.240 nan 0.000 0.545 563 P HA 0.322 nan 4.420 nan 0.000 0.285 563 P C 0.522 177.458 177.300 -0.605 0.000 1.259 563 P CA -0.533 61.791 63.100 -1.294 0.000 0.794 563 P CB 1.006 31.547 31.700 -1.931 0.000 0.940 564 A N 4.305 126.885 122.820 -0.400 0.000 1.948 564 A HA -0.123 4.198 4.320 0.003 0.000 0.220 564 A C 1.178 178.616 177.584 -0.243 0.000 1.177 564 A CA 1.266 53.184 52.037 -0.200 0.000 0.636 564 A CB -1.014 17.955 19.000 -0.052 0.000 0.815 564 A HN 0.589 nan 8.150 nan 0.000 0.449 565 I N -1.165 119.202 120.570 -0.338 0.000 2.359 565 I HA 0.385 4.557 4.170 0.003 0.000 0.294 565 I C 0.604 176.531 176.117 -0.318 0.000 0.987 565 I CA 0.068 61.177 61.300 -0.318 0.000 1.225 565 I CB 1.755 39.523 38.000 -0.386 0.000 1.366 565 I HN 0.203 nan 8.210 nan 0.000 0.466 566 I N 5.879 126.313 120.570 -0.225 0.000 4.442 566 I HA 0.067 4.238 4.170 0.003 0.000 0.331 566 I C 1.235 177.278 176.117 -0.124 0.000 1.364 566 I CA -0.079 61.109 61.300 -0.187 0.000 1.207 566 I CB -0.106 37.795 38.000 -0.165 0.000 1.298 566 I HN 0.557 nan 8.210 nan 0.000 0.463 567 K N 1.684 122.013 120.400 -0.120 0.000 3.029 567 K HA 0.273 4.594 4.320 0.003 0.000 0.347 567 K C -1.323 175.238 176.600 -0.065 0.000 0.994 567 K CA -0.373 55.863 56.287 -0.085 0.000 1.278 567 K CB -1.734 30.713 32.500 -0.089 0.000 1.270 567 K HN -0.221 nan 8.250 nan 0.000 0.550 568 P HA -0.173 nan 4.420 nan 0.000 0.219 568 P C -0.229 177.055 177.300 -0.028 0.000 1.145 568 P CA 1.696 64.776 63.100 -0.033 0.000 0.813 568 P CB 0.094 31.778 31.700 -0.028 0.000 0.771 569 K N -1.340 119.033 120.400 -0.044 0.000 2.466 569 K HA 0.533 4.854 4.320 0.003 0.000 0.260 569 K C -2.925 173.641 176.600 -0.058 0.000 1.011 569 K CA -2.349 53.922 56.287 -0.027 0.000 0.871 569 K CB 2.292 34.782 32.500 -0.016 0.000 1.404 569 K HN -0.261 nan 8.250 nan 0.000 0.450 570 P HA 0.375 nan 4.420 nan 0.000 0.258 570 P C -1.415 175.896 177.300 0.018 0.000 1.589 570 P CA -0.476 62.569 63.100 -0.091 0.000 1.149 570 P CB 0.582 32.260 31.700 -0.037 0.000 1.369 571 L N 2.130 123.307 121.223 -0.077 0.000 2.313 571 L HA 0.652 4.994 4.340 0.003 0.000 0.268 571 L C 0.444 177.371 176.870 0.095 0.000 1.010 571 L CA -0.612 54.351 54.840 0.206 0.000 0.814 571 L CB 1.618 43.713 42.059 0.059 0.000 1.304 571 L HN 0.250 nan 8.230 nan 0.000 0.441 572 W N -0.657 120.676 121.300 0.055 0.000 2.703 572 W HA 0.543 5.205 4.660 0.003 0.000 0.359 572 W C 0.168 176.847 176.519 0.267 0.000 1.168 572 W CA -0.682 56.722 57.345 0.098 0.000 1.177 572 W CB 1.882 31.390 29.460 0.080 0.000 1.434 572 W HN 0.399 nan 8.180 nan 0.000 0.618 573 S N -0.012 115.979 115.700 0.485 0.000 2.632 573 S HA 0.346 4.818 4.470 0.003 0.000 0.271 573 S C 1.129 175.841 174.600 0.185 0.000 1.260 573 S CA 0.278 58.723 58.200 0.408 0.000 1.010 573 S CB 1.248 64.613 63.200 0.275 0.000 0.965 573 S HN 0.624 nan 8.310 nan 0.000 0.534 574 G N 2.984 111.783 108.800 -0.001 0.000 2.513 574 G HA2 -0.243 3.719 3.960 0.003 0.000 0.219 574 G HA3 -0.243 3.719 3.960 0.003 0.000 0.219 574 G C 1.303 176.143 174.900 -0.100 0.000 1.160 574 G CA 1.145 46.151 45.100 -0.157 0.000 0.767 574 G HN 0.831 nan 8.290 nan 0.000 0.571 575 K N -0.083 120.278 120.400 -0.064 0.000 2.034 575 K HA -0.184 4.137 4.320 0.003 0.000 0.214 575 K C 2.660 179.275 176.600 0.026 0.000 1.051 575 K CA 1.498 57.767 56.287 -0.030 0.000 0.931 575 K CB -0.309 32.186 32.500 -0.008 0.000 0.715 575 K HN 0.243 nan 8.250 nan 0.000 0.446 576 Q N 0.192 120.049 119.800 0.095 0.000 2.124 576 Q HA -0.251 4.091 4.340 0.003 0.000 0.215 576 Q C 2.208 178.291 176.000 0.139 0.000 1.015 576 Q CA 2.488 58.389 55.803 0.163 0.000 0.890 576 Q CB -0.386 28.536 28.738 0.307 0.000 0.966 576 Q HN 0.533 nan 8.270 nan 0.000 0.412 577 I N -3.211 117.407 120.570 0.081 0.000 3.708 577 I HA -0.014 4.158 4.170 0.003 0.000 0.302 577 I C 1.928 178.036 176.117 -0.015 0.000 1.255 577 I CA 0.173 61.484 61.300 0.017 0.000 1.362 577 I CB -0.478 37.477 38.000 -0.074 0.000 1.100 577 I HN -0.024 nan 8.210 nan 0.000 0.434 578 L N 1.686 122.893 121.223 -0.028 0.000 2.081 578 L HA -0.156 4.186 4.340 0.003 0.000 0.212 578 L C 2.273 179.136 176.870 -0.011 0.000 1.080 578 L CA 2.018 56.834 54.840 -0.040 0.000 0.754 578 L CB -1.132 40.886 42.059 -0.068 0.000 0.893 578 L HN 0.351 nan 8.230 nan 0.000 0.433 579 S N -1.352 114.355 115.700 0.012 0.000 2.500 579 S HA -0.104 4.368 4.470 0.003 0.000 0.239 579 S C 1.923 176.558 174.600 0.059 0.000 0.989 579 S CA 1.019 59.240 58.200 0.035 0.000 0.951 579 S CB -0.568 62.665 63.200 0.056 0.000 0.759 579 S HN 0.372 nan 8.310 nan 0.000 0.523 580 V N 1.332 121.283 119.914 0.060 0.000 2.871 580 V HA -0.019 4.103 4.120 0.003 0.000 0.256 580 V C 2.516 178.661 176.094 0.086 0.000 1.082 580 V CA 1.325 63.683 62.300 0.097 0.000 1.105 580 V CB -0.868 31.000 31.823 0.075 0.000 0.713 580 V HN 0.573 nan 8.190 nan 0.000 0.473 581 A N -0.350 122.495 122.820 0.041 0.000 1.970 581 A HA 0.126 4.447 4.320 0.003 0.000 0.216 581 A C 1.175 178.775 177.584 0.025 0.000 1.170 581 A CA 0.558 52.613 52.037 0.030 0.000 0.645 581 A CB -0.242 18.756 19.000 -0.003 0.000 0.816 581 A HN 0.466 nan 8.150 nan 0.000 0.447 582 I N 1.220 121.801 120.570 0.018 0.000 2.416 582 I HA 0.149 4.321 4.170 0.003 0.000 0.288 582 I C -1.760 174.374 176.117 0.027 0.000 1.051 582 I CA -2.027 59.279 61.300 0.009 0.000 1.375 582 I CB 1.259 39.258 38.000 -0.001 0.000 1.407 582 I HN 0.133 nan 8.210 nan 0.000 0.516 583 P HA 0.013 nan 4.420 nan 0.000 0.317 583 P C -0.858 176.452 177.300 0.016 0.000 1.427 583 P CA 0.122 63.235 63.100 0.022 0.000 0.820 583 P CB 0.377 32.083 31.700 0.010 0.000 1.894 584 N N -1.367 117.332 118.700 -0.003 0.000 2.310 584 N HA 0.414 5.155 4.740 0.003 0.000 0.292 584 N C 0.310 175.780 175.510 -0.068 0.000 1.049 584 N CA 0.159 53.200 53.050 -0.014 0.000 0.849 584 N CB 2.008 40.496 38.487 0.003 0.000 1.532 584 N HN 0.703 nan 8.380 nan 0.000 0.479 585 G N 0.848 109.571 108.800 -0.127 0.000 2.194 585 G HA2 -0.224 3.737 3.960 0.003 0.000 0.236 585 G HA3 -0.224 3.737 3.960 0.003 0.000 0.236 585 G C 0.017 174.594 174.900 -0.539 0.000 0.987 585 G CA -0.453 44.464 45.100 -0.305 0.000 0.635 585 G HN 0.504 nan 8.290 nan 0.000 0.520 586 I N 3.165 123.564 120.570 -0.284 0.000 2.581 586 I HA 0.297 4.468 4.170 0.003 0.000 0.285 586 I C 0.222 176.251 176.117 -0.146 0.000 1.129 586 I CA -0.166 61.021 61.300 -0.189 0.000 1.397 586 I CB -0.330 37.632 38.000 -0.063 0.000 1.399 586 I HN 0.119 nan 8.210 nan 0.000 0.537 587 H N 6.710 125.783 119.070 0.005 0.000 2.538 587 H HA 0.670 5.228 4.556 0.003 0.000 0.353 587 H C -0.804 174.517 175.328 -0.011 0.000 1.109 587 H CA -0.960 55.089 56.048 0.002 0.000 1.192 587 H CB 2.467 32.238 29.762 0.015 0.000 1.555 587 H HN 0.358 nan 8.280 nan 0.000 0.518 588 L N 1.863 123.147 121.223 0.102 0.000 2.455 588 L HA 0.359 4.701 4.340 0.003 0.000 0.264 588 L C -0.832 176.015 176.870 -0.038 0.000 0.968 588 L CA -0.213 54.635 54.840 0.015 0.000 0.827 588 L CB 2.379 44.423 42.059 -0.025 0.000 1.317 588 L HN 0.601 nan 8.230 nan 0.000 0.407 589 Q N 2.570 122.340 119.800 -0.050 0.000 2.372 589 Q HA 0.582 4.924 4.340 0.003 0.000 0.273 589 Q C -0.522 175.399 176.000 -0.132 0.000 1.078 589 Q CA -0.467 55.274 55.803 -0.104 0.000 0.806 589 Q CB 2.822 31.570 28.738 0.016 0.000 1.332 589 Q HN 0.687 nan 8.270 nan 0.000 0.435 590 R N 1.659 121.980 120.500 -0.299 0.000 2.712 590 R HA 0.415 4.757 4.340 0.003 0.000 0.132 590 R C -0.940 175.327 176.300 -0.055 0.000 1.923 590 R CA 0.107 56.095 56.100 -0.187 0.000 1.539 590 R CB 0.669 30.841 30.300 -0.214 0.000 1.362 590 R HN 0.641 nan 8.270 nan 0.000 0.472 591 F N 1.043 120.993 119.950 -0.000 0.000 2.133 591 F HA -0.250 4.279 4.527 0.003 0.000 0.502 591 F C 0.062 175.867 175.800 0.009 0.000 1.268 591 F CA 0.624 58.643 58.000 0.031 0.000 1.610 591 F CB -0.517 38.511 39.000 0.048 0.000 2.584 591 F HN 0.421 nan 8.300 nan 0.000 0.723 592 D N 1.007 121.519 120.400 0.186 0.000 3.604 592 D HA 0.223 4.864 4.640 0.003 0.000 0.181 592 D C 1.192 177.549 176.300 0.095 0.000 1.161 592 D CA -0.141 53.917 54.000 0.097 0.000 1.302 592 D CB 0.333 41.160 40.800 0.046 0.000 1.058 592 D HN 0.441 nan 8.370 nan 0.000 0.348 593 E N 0.455 120.697 120.200 0.070 0.000 2.044 593 E HA 0.067 4.419 4.350 0.003 0.000 0.209 593 E C 1.415 178.063 176.600 0.080 0.000 0.917 593 E CA 0.420 56.856 56.400 0.060 0.000 0.963 593 E CB -0.976 28.749 29.700 0.041 0.000 0.919 593 E HN 0.401 nan 8.360 nan 0.000 0.528 594 G N 1.816 110.663 108.800 0.077 0.000 3.340 594 G HA2 0.004 3.965 3.960 0.003 0.000 0.240 594 G HA3 0.004 3.965 3.960 0.003 0.000 0.240 594 G C -0.242 174.735 174.900 0.129 0.000 1.327 594 G CA 0.058 45.208 45.100 0.084 0.000 1.170 594 G HN 0.023 nan 8.290 nan 0.000 0.520 595 T N 1.250 115.920 114.554 0.193 0.000 2.776 595 T HA 0.346 4.697 4.350 0.003 0.000 0.292 595 T C 0.872 175.802 174.700 0.383 0.000 0.921 595 T CA 0.071 62.366 62.100 0.324 0.000 1.038 595 T CB 0.698 69.812 68.868 0.410 0.000 0.910 595 T HN 0.285 nan 8.240 nan 0.000 0.536 596 T N 1.102 115.809 114.554 0.255 0.000 3.532 596 T HA 0.361 4.712 4.350 0.003 0.000 0.241 596 T C 0.866 175.606 174.700 0.067 0.000 1.238 596 T CA -0.777 61.413 62.100 0.151 0.000 1.405 596 T CB -0.910 67.997 68.868 0.065 0.000 0.971 596 T HN 0.535 nan 8.240 nan 0.000 0.640 597 L N -0.658 120.630 121.223 0.109 0.000 4.668 597 L HA -0.233 4.109 4.340 0.003 0.000 0.439 597 L C 1.012 177.599 176.870 -0.471 0.000 1.120 597 L CA 1.000 55.733 54.840 -0.178 0.000 0.961 597 L CB -1.642 40.401 42.059 -0.027 0.000 1.918 597 L HN 0.551 nan 8.230 nan 0.000 0.926 598 L N -1.137 119.860 121.223 -0.377 0.000 3.467 598 L HA 0.135 4.476 4.340 0.003 0.000 0.315 598 L C 0.983 177.766 176.870 -0.145 0.000 1.184 598 L CA 0.691 55.350 54.840 -0.301 0.000 1.124 598 L CB 0.667 42.646 42.059 -0.133 0.000 1.585 598 L HN 0.455 nan 8.230 nan 0.000 0.617 599 S N 1.320 117.020 115.700 0.001 0.000 3.609 599 S HA -0.113 4.359 4.470 0.003 0.000 0.244 599 S C -2.115 172.550 174.600 0.109 0.000 0.742 599 S CA -0.356 57.952 58.200 0.180 0.000 1.380 599 S CB -1.468 62.002 63.200 0.449 0.000 1.370 599 S HN 0.185 nan 8.310 nan 0.000 0.411 600 P HA 0.312 nan 4.420 nan 0.000 0.261 600 P C 0.306 177.639 177.300 0.054 0.000 1.650 600 P CA 0.181 63.311 63.100 0.049 0.000 0.846 600 P CB -0.113 31.606 31.700 0.032 0.000 1.758 601 K N -1.177 119.266 120.400 0.071 0.000 2.588 601 K HA 0.070 4.391 4.320 0.003 0.000 0.216 601 K C 0.220 176.854 176.600 0.057 0.000 1.382 601 K CA -0.083 56.238 56.287 0.057 0.000 1.008 601 K CB 0.379 32.914 32.500 0.058 0.000 1.138 601 K HN -0.219 nan 8.250 nan 0.000 0.619 602 D N 0.897 121.351 120.400 0.090 0.000 3.059 602 D HA -0.223 4.419 4.640 0.003 0.000 0.222 602 D C -0.380 175.952 176.300 0.053 0.000 1.185 602 D CA 0.681 54.742 54.000 0.102 0.000 0.904 602 D CB -0.774 40.053 40.800 0.045 0.000 1.122 602 D HN 0.222 nan 8.370 nan 0.000 0.410 603 N N -0.057 118.684 118.700 0.069 0.000 2.273 603 N HA 0.331 5.073 4.740 0.003 0.000 0.227 603 N C 1.284 176.779 175.510 -0.025 0.000 1.292 603 N CA 1.802 54.872 53.050 0.033 0.000 0.875 603 N CB 0.084 38.614 38.487 0.071 0.000 1.105 603 N HN 0.514 nan 8.380 nan 0.000 0.434 604 G N -0.080 108.673 108.800 -0.079 0.000 2.645 604 G HA2 -0.154 3.808 3.960 0.003 0.000 0.246 604 G HA3 -0.154 3.808 3.960 0.003 0.000 0.246 604 G C -0.505 174.157 174.900 -0.396 0.000 1.322 604 G CA 0.526 45.506 45.100 -0.200 0.000 0.898 604 G HN 0.818 nan 8.290 nan 0.000 0.573 605 M N -1.380 117.862 119.600 -0.597 0.000 2.333 605 M HA 0.710 5.192 4.480 0.003 0.000 0.286 605 M C -2.108 173.780 176.300 -0.686 0.000 1.113 605 M CA -0.681 54.243 55.300 -0.628 0.000 0.959 605 M CB 1.857 34.253 32.600 -0.339 0.000 1.776 605 M HN 1.731 nan 8.290 nan 0.000 0.492 606 L N 6.177 126.990 121.223 -0.682 0.000 2.441 606 L HA 0.755 5.096 4.340 0.003 0.000 0.270 606 L C -2.105 174.683 176.870 -0.138 0.000 0.973 606 L CA -0.159 54.490 54.840 -0.319 0.000 0.842 606 L CB 1.713 43.722 42.059 -0.084 0.000 1.239 606 L HN 0.823 nan 8.230 nan 0.000 0.406 607 I N 6.636 127.164 120.570 -0.070 0.000 2.405 607 I HA 0.391 4.562 4.170 0.003 0.000 0.280 607 I C -0.790 175.374 176.117 0.078 0.000 1.027 607 I CA -0.401 60.899 61.300 -0.001 0.000 1.161 607 I CB 1.329 39.323 38.000 -0.010 0.000 1.300 607 I HN 0.426 nan 8.210 nan 0.000 0.463 608 I N 5.641 126.259 120.570 0.079 0.000 2.330 608 I HA 0.321 4.492 4.170 0.003 0.000 0.289 608 I C 0.385 176.622 176.117 0.201 0.000 1.001 608 I CA 0.183 61.534 61.300 0.085 0.000 1.193 608 I CB 0.699 38.680 38.000 -0.032 0.000 1.345 608 I HN 0.625 nan 8.210 nan 0.000 0.461 609 D N 4.603 125.280 120.400 0.461 0.000 4.111 609 D HA -0.211 4.431 4.640 0.003 0.000 0.290 609 D C 1.531 177.906 176.300 0.125 0.000 2.255 609 D CA 1.569 55.723 54.000 0.256 0.000 1.109 609 D CB -0.100 40.825 40.800 0.209 0.000 1.034 609 D HN 0.799 nan 8.370 nan 0.000 1.222 610 G N -0.542 108.305 108.800 0.079 0.000 2.568 610 G HA2 -0.201 3.760 3.960 0.003 0.000 0.220 610 G HA3 -0.201 3.760 3.960 0.003 0.000 0.220 610 G C 0.527 175.466 174.900 0.065 0.000 1.104 610 G CA 1.146 46.283 45.100 0.062 0.000 0.738 610 G HN 0.323 nan 8.290 nan 0.000 0.574 611 Q N -0.188 119.659 119.800 0.078 0.000 2.256 611 Q HA 0.440 4.782 4.340 0.003 0.000 0.257 611 Q C -0.031 176.002 176.000 0.055 0.000 0.936 611 Q CA -0.807 55.037 55.803 0.070 0.000 0.903 611 Q CB 2.412 31.197 28.738 0.079 0.000 1.263 611 Q HN 0.452 nan 8.270 nan 0.000 0.440 612 I N 0.633 121.225 120.570 0.037 0.000 2.395 612 I HA 0.176 4.348 4.170 0.003 0.000 0.289 612 I C 0.152 176.294 176.117 0.042 0.000 1.023 612 I CA -0.232 61.076 61.300 0.013 0.000 1.350 612 I CB 0.573 38.559 38.000 -0.024 0.000 1.409 612 I HN 0.485 nan 8.210 nan 0.000 0.507 613 I N 6.307 126.912 120.570 0.059 0.000 3.039 613 I HA 0.267 4.439 4.170 0.003 0.000 0.270 613 I C 0.380 176.639 176.117 0.237 0.000 1.150 613 I CA 0.862 62.243 61.300 0.134 0.000 1.448 613 I CB -0.498 37.599 38.000 0.161 0.000 1.197 613 I HN 0.769 nan 8.210 nan 0.000 0.450 614 F N -0.002 119.926 119.950 -0.037 0.000 2.703 614 F HA 0.686 5.214 4.527 0.003 0.000 0.308 614 F C -0.572 175.189 175.800 -0.064 0.000 1.126 614 F CA -0.469 57.506 58.000 -0.042 0.000 0.959 614 F CB 1.113 40.091 39.000 -0.036 0.000 1.297 614 F HN 0.087 nan 8.300 nan 0.000 0.441 615 G N 0.994 109.645 108.800 -0.248 0.000 2.357 615 G HA2 0.372 4.333 3.960 0.003 0.000 0.643 615 G HA3 0.372 4.333 3.960 0.003 0.000 0.643 615 G C -2.607 172.191 174.900 -0.171 0.000 1.358 615 G CA -0.538 44.352 45.100 -0.349 0.000 0.986 615 G HN 1.202 nan 8.290 nan 0.000 0.620 616 V N 0.784 120.611 119.914 -0.144 0.000 2.357 616 V HA 0.500 4.622 4.120 0.003 0.000 0.284 616 V C 0.700 176.729 176.094 -0.108 0.000 1.018 616 V CA -0.682 61.555 62.300 -0.105 0.000 0.841 616 V CB 1.447 33.228 31.823 -0.070 0.000 0.991 616 V HN 0.903 nan 8.190 nan 0.000 0.437 617 V N 6.152 126.001 119.914 -0.108 0.000 2.479 617 V HA 0.457 4.579 4.120 0.003 0.000 0.281 617 V C 0.218 176.266 176.094 -0.077 0.000 1.031 617 V CA 0.112 62.352 62.300 -0.100 0.000 1.038 617 V CB 0.439 32.200 31.823 -0.102 0.000 0.981 617 V HN 1.132 nan 8.190 nan 0.000 0.478 618 E N 3.295 123.454 120.200 -0.069 0.000 2.269 618 E HA 0.384 4.735 4.350 0.003 0.000 0.243 618 E C 0.727 177.299 176.600 -0.047 0.000 1.114 618 E CA -0.696 55.674 56.400 -0.049 0.000 0.896 618 E CB 0.439 30.120 29.700 -0.032 0.000 1.811 618 E HN 0.098 nan 8.360 nan 0.000 0.472 619 K N 0.801 121.182 120.400 -0.031 0.000 2.030 619 K HA -0.281 4.041 4.320 0.003 0.000 0.222 619 K C 1.627 178.211 176.600 -0.026 0.000 1.056 619 K CA 2.783 59.056 56.287 -0.024 0.000 0.957 619 K CB -0.384 32.110 32.500 -0.010 0.000 0.727 619 K HN 0.427 nan 8.250 nan 0.000 0.452 620 K N -0.548 119.836 120.400 -0.025 0.000 2.077 620 K HA -0.197 4.125 4.320 0.003 0.000 0.213 620 K C 2.156 178.736 176.600 -0.034 0.000 1.051 620 K CA 2.457 58.729 56.287 -0.025 0.000 0.929 620 K CB -0.443 32.039 32.500 -0.030 0.000 0.715 620 K HN 0.436 nan 8.250 nan 0.000 0.451 621 T N -0.071 114.452 114.554 -0.053 0.000 2.668 621 T HA -0.085 4.266 4.350 0.003 0.000 0.258 621 T C 1.954 176.614 174.700 -0.065 0.000 1.051 621 T CA 1.167 63.227 62.100 -0.066 0.000 1.155 621 T CB -0.309 68.507 68.868 -0.087 0.000 0.864 621 T HN 0.028 nan 8.240 nan 0.000 0.413 622 V N 1.071 120.941 119.914 -0.074 0.000 3.471 622 V HA 0.354 4.475 4.120 0.003 0.000 0.258 622 V C 1.476 177.523 176.094 -0.079 0.000 1.192 622 V CA 0.428 62.668 62.300 -0.100 0.000 1.116 622 V CB -0.769 30.985 31.823 -0.115 0.000 0.792 622 V HN 0.575 nan 8.190 nan 0.000 0.459 623 G N 0.242 109.017 108.800 -0.041 0.000 2.771 623 G HA2 0.041 4.002 3.960 0.003 0.000 0.242 623 G HA3 0.041 4.002 3.960 0.003 0.000 0.242 623 G C 0.947 175.847 174.900 0.000 0.000 1.233 623 G CA 0.434 45.526 45.100 -0.013 0.000 0.858 623 G HN 0.660 nan 8.290 nan 0.000 0.591 624 S N -0.297 115.416 115.700 0.022 0.000 2.881 624 S HA 0.094 4.566 4.470 0.003 0.000 0.228 624 S C 1.100 175.717 174.600 0.028 0.000 0.965 624 S CA 0.163 58.381 58.200 0.030 0.000 0.998 624 S CB -0.576 62.642 63.200 0.031 0.000 0.795 624 S HN 0.521 nan 8.310 nan 0.000 0.518 625 S N 2.644 118.363 115.700 0.032 0.000 2.564 625 S HA 0.024 4.495 4.470 0.003 0.000 0.263 625 S C 1.329 175.990 174.600 0.103 0.000 1.378 625 S CA -0.359 57.872 58.200 0.051 0.000 0.996 625 S CB 0.164 63.382 63.200 0.030 0.000 0.881 625 S HN 0.536 nan 8.310 nan 0.000 0.555 626 N N 1.399 120.171 118.700 0.120 0.000 2.092 626 N HA -0.047 4.695 4.740 0.003 0.000 0.189 626 N C 1.711 177.270 175.510 0.082 0.000 1.040 626 N CA 1.421 54.582 53.050 0.186 0.000 0.845 626 N CB -0.786 37.780 38.487 0.132 0.000 1.017 626 N HN 0.717 nan 8.380 nan 0.000 0.426 627 G N -0.347 108.464 108.800 0.018 0.000 3.088 627 G HA2 0.240 4.201 3.960 0.003 0.000 0.212 627 G HA3 0.240 4.201 3.960 0.003 0.000 0.212 627 G C 0.620 175.504 174.900 -0.025 0.000 1.173 627 G CA 0.285 45.365 45.100 -0.034 0.000 0.779 627 G HN 0.438 nan 8.290 nan 0.000 0.540 628 G N -0.677 108.128 108.800 0.009 0.000 2.525 628 G HA2 0.380 4.342 3.960 0.003 0.000 0.287 628 G HA3 0.380 4.342 3.960 0.003 0.000 0.287 628 G C 0.821 175.725 174.900 0.008 0.000 1.350 628 G CA -0.630 44.469 45.100 -0.002 0.000 1.039 628 G HN 0.130 nan 8.290 nan 0.000 0.513 629 L N -0.784 120.424 121.223 -0.025 0.000 2.095 629 L HA 0.036 4.377 4.340 0.003 0.000 0.204 629 L C 2.704 179.560 176.870 -0.023 0.000 1.080 629 L CA 0.817 55.634 54.840 -0.038 0.000 0.759 629 L CB -0.236 41.776 42.059 -0.078 0.000 0.914 629 L HN 0.530 nan 8.230 nan 0.000 0.439 630 I N -0.963 119.583 120.570 -0.041 0.000 2.142 630 I HA -0.328 3.844 4.170 0.003 0.000 0.240 630 I C 2.561 178.711 176.117 0.054 0.000 1.078 630 I CA 1.314 62.592 61.300 -0.037 0.000 1.343 630 I CB -1.024 36.937 38.000 -0.066 0.000 1.046 630 I HN 0.279 nan 8.210 nan 0.000 0.405 631 H N 1.196 120.253 119.070 -0.022 0.000 2.297 631 H HA -0.203 4.355 4.556 0.003 0.000 0.289 631 H C 2.283 177.599 175.328 -0.019 0.000 1.105 631 H CA 2.391 58.428 56.048 -0.018 0.000 1.219 631 H CB -0.311 29.443 29.762 -0.014 0.000 1.351 631 H HN 0.163 nan 8.280 nan 0.000 0.481 632 V N -0.151 119.859 119.914 0.159 0.000 2.270 632 V HA -0.195 3.927 4.120 0.003 0.000 0.245 632 V C 2.976 179.099 176.094 0.048 0.000 1.043 632 V CA 1.552 63.892 62.300 0.067 0.000 1.014 632 V CB -0.732 31.098 31.823 0.011 0.000 0.645 632 V HN 0.226 nan 8.190 nan 0.000 0.447 633 V N 0.359 120.290 119.914 0.028 0.000 2.626 633 V HA -0.205 3.917 4.120 0.003 0.000 0.252 633 V C 2.479 178.589 176.094 0.026 0.000 1.067 633 V CA 2.258 64.565 62.300 0.012 0.000 1.081 633 V CB -0.849 30.971 31.823 -0.005 0.000 0.686 633 V HN 0.698 nan 8.190 nan 0.000 0.468 634 T N -0.336 114.240 114.554 0.037 0.000 2.612 634 T HA -0.160 4.192 4.350 0.003 0.000 0.259 634 T C 2.096 176.811 174.700 0.024 0.000 1.065 634 T CA 0.932 63.046 62.100 0.024 0.000 1.167 634 T CB -0.299 68.569 68.868 -0.001 0.000 0.863 634 T HN 0.220 nan 8.240 nan 0.000 0.407 635 R N 0.908 121.435 120.500 0.046 0.000 2.139 635 R HA -0.048 4.294 4.340 0.003 0.000 0.243 635 R C 2.401 178.726 176.300 0.041 0.000 1.145 635 R CA 1.262 57.392 56.100 0.050 0.000 0.976 635 R CB -0.460 29.893 30.300 0.089 0.000 0.866 635 R HN 0.467 nan 8.270 nan 0.000 0.449 636 E N 0.456 120.675 120.200 0.033 0.000 2.008 636 E HA -0.060 4.292 4.350 0.003 0.000 0.191 636 E C 1.492 178.105 176.600 0.020 0.000 0.986 636 E CA 1.412 57.825 56.400 0.021 0.000 0.807 636 E CB 0.229 29.930 29.700 0.002 0.000 0.766 636 E HN 0.122 nan 8.360 nan 0.000 0.450 637 K N -1.647 118.763 120.400 0.017 0.000 2.370 637 K HA 0.339 4.661 4.320 0.003 0.000 0.194 637 K C -0.004 176.607 176.600 0.019 0.000 1.070 637 K CA 0.572 56.868 56.287 0.016 0.000 0.998 637 K CB 1.755 34.261 32.500 0.010 0.000 0.911 637 K HN 0.180 nan 8.250 nan 0.000 0.533 638 G N 1.431 110.243 108.800 0.019 0.000 2.312 638 G HA2 -0.054 3.907 3.960 0.003 0.000 0.347 638 G HA3 -0.054 3.907 3.960 0.003 0.000 0.347 638 G C -2.813 172.095 174.900 0.014 0.000 1.564 638 G CA -0.907 44.203 45.100 0.017 0.000 0.981 638 G HN -0.304 nan 8.290 nan 0.000 0.678 639 P HA -0.151 nan 4.420 nan 0.000 0.213 639 P C 1.668 178.977 177.300 0.014 0.000 1.170 639 P CA 1.461 64.559 63.100 -0.003 0.000 0.893 639 P CB 0.042 31.727 31.700 -0.025 0.000 0.784 640 Q N -0.030 119.775 119.800 0.008 0.000 2.045 640 Q HA -0.164 4.178 4.340 0.003 0.000 0.215 640 Q C 2.322 178.343 176.000 0.034 0.000 1.026 640 Q CA 1.841 57.653 55.803 0.015 0.000 0.885 640 Q CB -1.913 26.832 28.738 0.013 0.000 0.984 640 Q HN 0.158 nan 8.270 nan 0.000 0.414 641 V N 0.665 120.599 119.914 0.033 0.000 2.568 641 V HA -0.253 3.868 4.120 0.003 0.000 0.253 641 V C 2.531 178.657 176.094 0.054 0.000 1.072 641 V CA 1.730 64.053 62.300 0.039 0.000 1.084 641 V CB -0.994 30.846 31.823 0.029 0.000 0.676 641 V HN 0.580 nan 8.190 nan 0.000 0.469 642 C N 0.323 119.661 119.300 0.065 0.000 2.507 642 C HA 0.242 4.703 4.460 0.003 0.000 0.280 642 C C 3.029 178.143 174.990 0.207 0.000 1.345 642 C CA 0.435 59.514 59.018 0.100 0.000 1.736 642 C CB -0.950 26.841 27.740 0.086 0.000 2.060 642 C HN 0.525 nan 8.230 nan 0.000 0.498 643 A N 1.058 123.968 122.820 0.150 0.000 1.865 643 A HA -0.205 4.116 4.320 0.003 0.000 0.217 643 A C 2.285 179.972 177.584 0.173 0.000 1.191 643 A CA 2.141 54.261 52.037 0.137 0.000 0.623 643 A CB -0.909 18.098 19.000 0.013 0.000 0.826 643 A HN 0.712 nan 8.150 nan 0.000 0.444 644 K N -0.610 119.857 120.400 0.110 0.000 2.360 644 K HA -0.098 4.223 4.320 0.003 0.000 0.201 644 K C 1.727 178.395 176.600 0.113 0.000 1.046 644 K CA 1.139 57.485 56.287 0.099 0.000 0.945 644 K CB -0.304 32.237 32.500 0.069 0.000 0.750 644 K HN 0.420 nan 8.250 nan 0.000 0.464 645 L N 0.017 121.313 121.223 0.122 0.000 2.056 645 L HA -0.052 4.290 4.340 0.003 0.000 0.207 645 L C 1.560 178.462 176.870 0.052 0.000 1.078 645 L CA 1.563 56.441 54.840 0.063 0.000 0.749 645 L CB -0.517 41.550 42.059 0.013 0.000 0.901 645 L HN 0.072 nan 8.230 nan 0.000 0.433 646 F N 0.920 120.869 119.950 -0.002 0.000 2.011 646 F HA -0.174 4.355 4.527 0.003 0.000 0.296 646 F C 2.485 178.281 175.800 -0.006 0.000 1.144 646 F CA 2.232 60.229 58.000 -0.004 0.000 1.185 646 F CB -1.343 37.656 39.000 -0.002 0.000 0.961 646 F HN 0.191 nan 8.300 nan 0.000 0.485 647 G N -1.099 107.837 108.800 0.226 0.000 2.653 647 G HA2 -0.204 3.758 3.960 0.003 0.000 0.212 647 G HA3 -0.204 3.758 3.960 0.003 0.000 0.212 647 G C 1.312 176.248 174.900 0.061 0.000 1.138 647 G CA 0.848 46.017 45.100 0.114 0.000 0.782 647 G HN 0.273 nan 8.290 nan 0.000 0.535 648 N N 0.400 119.134 118.700 0.056 0.000 2.368 648 N HA 0.067 4.808 4.740 0.003 0.000 0.178 648 N C 2.253 177.758 175.510 -0.008 0.000 1.021 648 N CA 0.237 53.306 53.050 0.031 0.000 0.875 648 N CB -0.099 38.416 38.487 0.047 0.000 1.020 648 N HN 0.297 nan 8.380 nan 0.000 0.433 649 I N 1.064 121.620 120.570 -0.022 0.000 2.179 649 I HA -0.274 3.898 4.170 0.003 0.000 0.242 649 I C 2.255 178.344 176.117 -0.047 0.000 1.088 649 I CA 1.160 62.429 61.300 -0.052 0.000 1.357 649 I CB -0.560 37.382 38.000 -0.096 0.000 1.051 649 I HN 0.145 nan 8.210 nan 0.000 0.409 650 Q N 1.515 121.297 119.800 -0.030 0.000 1.935 650 Q HA -0.261 4.080 4.340 0.003 0.000 0.212 650 Q C 2.282 178.213 176.000 -0.115 0.000 1.008 650 Q CA 2.266 58.043 55.803 -0.043 0.000 0.868 650 Q CB -0.103 28.634 28.738 -0.001 0.000 0.946 650 Q HN 0.299 nan 8.270 nan 0.000 0.418 651 K N -0.637 119.675 120.400 -0.145 0.000 2.077 651 K HA -0.247 4.074 4.320 0.003 0.000 0.213 651 K C 1.979 178.329 176.600 -0.416 0.000 1.051 651 K CA 1.961 58.050 56.287 -0.330 0.000 0.929 651 K CB -0.309 32.081 32.500 -0.184 0.000 0.715 651 K HN 0.122 nan 8.250 nan 0.000 0.451 652 V N 0.391 120.185 119.914 -0.199 0.000 2.283 652 V HA -0.201 3.921 4.120 0.003 0.000 0.243 652 V C 2.292 178.383 176.094 -0.004 0.000 1.039 652 V CA 1.512 63.740 62.300 -0.119 0.000 1.016 652 V CB -0.468 31.323 31.823 -0.052 0.000 0.650 652 V HN 0.071 nan 8.190 nan 0.000 0.449 653 V N 1.725 121.631 119.914 -0.013 0.000 2.287 653 V HA -0.267 3.854 4.120 0.003 0.000 0.248 653 V C 2.399 178.536 176.094 0.072 0.000 1.053 653 V CA 2.354 64.687 62.300 0.055 0.000 1.027 653 V CB -1.041 30.789 31.823 0.011 0.000 0.646 653 V HN 0.652 nan 8.190 nan 0.000 0.447 654 N N -0.144 118.532 118.700 -0.041 0.000 2.149 654 N HA -0.214 4.528 4.740 0.003 0.000 0.188 654 N C 1.851 177.287 175.510 -0.124 0.000 1.019 654 N CA 1.876 54.870 53.050 -0.095 0.000 0.857 654 N CB -0.526 37.867 38.487 -0.156 0.000 0.997 654 N HN 0.561 nan 8.380 nan 0.000 0.426 655 F N 1.102 120.885 119.950 -0.278 0.000 2.031 655 F HA -0.184 4.344 4.527 0.002 0.000 0.295 655 F C 2.497 178.224 175.800 -0.121 0.000 1.133 655 F CA 1.366 59.197 58.000 -0.282 0.000 1.188 655 F CB -0.594 38.169 39.000 -0.394 0.000 0.974 655 F HN 0.039 nan 8.300 nan 0.000 0.473 656 W N 1.295 122.697 121.300 0.170 0.000 2.280 656 W HA -0.358 4.303 4.660 0.003 0.000 0.332 656 W C 2.301 178.765 176.519 -0.093 0.000 1.300 656 W CA 2.722 60.118 57.345 0.084 0.000 1.274 656 W CB -1.127 28.382 29.460 0.083 0.000 1.141 656 W HN 0.278 nan 8.180 nan 0.000 0.474 657 L N 0.371 121.552 121.223 -0.070 0.000 2.081 657 L HA -0.227 4.114 4.340 0.003 0.000 0.212 657 L C 2.498 179.085 176.870 -0.473 0.000 1.080 657 L CA 2.335 56.996 54.840 -0.299 0.000 0.754 657 L CB -1.280 40.755 42.059 -0.039 0.000 0.893 657 L HN 0.260 nan 8.230 nan 0.000 0.433 658 L N -0.556 120.346 121.223 -0.534 0.000 1.989 658 L HA -0.246 4.096 4.340 0.003 0.000 0.211 658 L C 2.160 178.636 176.870 -0.657 0.000 1.071 658 L CA 1.933 56.392 54.840 -0.635 0.000 0.749 658 L CB -1.029 40.506 42.059 -0.872 0.000 0.890 658 L HN 0.437 nan 8.230 nan 0.000 0.431 659 H N -1.143 117.604 119.070 -0.538 0.000 2.555 659 H HA 0.115 4.672 4.556 0.002 0.000 0.283 659 H C 1.196 176.220 175.328 -0.506 0.000 1.037 659 H CA 0.671 56.443 56.048 -0.460 0.000 1.169 659 H CB -0.321 29.178 29.762 -0.440 0.000 1.375 659 H HN 0.520 nan 8.280 nan 0.000 0.582 660 N N 0.330 118.669 118.700 -0.603 0.000 2.511 660 N HA 0.169 4.911 4.740 0.003 0.000 0.190 660 N C 0.622 175.952 175.510 -0.299 0.000 1.037 660 N CA 1.028 53.734 53.050 -0.572 0.000 0.895 660 N CB 1.152 39.008 38.487 -1.051 0.000 1.149 660 N HN 0.398 nan 8.380 nan 0.000 0.437 661 G N -0.917 107.735 108.800 -0.247 0.000 2.408 661 G HA2 0.170 4.132 3.960 0.003 0.000 0.682 661 G HA3 0.170 4.132 3.960 0.003 0.000 0.682 661 G C -1.167 173.779 174.900 0.077 0.000 1.303 661 G CA -0.409 44.636 45.100 -0.092 0.000 0.966 661 G HN 0.499 nan 8.290 nan 0.000 0.560 662 F N -0.933 118.958 119.950 -0.097 0.000 2.945 662 F HA 0.455 4.984 4.527 0.003 0.000 0.336 662 F C -0.329 175.441 175.800 -0.050 0.000 1.122 662 F CA 0.265 58.231 58.000 -0.058 0.000 0.880 662 F CB 0.379 39.355 39.000 -0.040 0.000 1.477 662 F HN 1.515 nan 8.300 nan 0.000 0.454 663 S N 0.273 116.375 115.700 0.669 0.000 2.806 663 S HA 0.721 5.192 4.470 0.003 0.000 0.294 663 S C -1.730 173.010 174.600 0.233 0.000 1.239 663 S CA -0.355 58.007 58.200 0.269 0.000 1.052 663 S CB 2.022 65.266 63.200 0.072 0.000 1.332 663 S HN 0.768 nan 8.310 nan 0.000 0.516 664 T N 1.091 115.700 114.554 0.091 0.000 4.445 664 T HA 0.475 4.826 4.350 0.003 0.000 0.365 664 T C -0.205 174.503 174.700 0.013 0.000 0.885 664 T CA -0.216 61.914 62.100 0.050 0.000 0.987 664 T CB 0.743 69.657 68.868 0.077 0.000 1.150 664 T HN 0.870 nan 8.240 nan 0.000 0.464 665 G N 0.985 109.780 108.800 -0.009 0.000 2.547 665 G HA2 0.585 4.546 3.960 0.003 0.000 0.291 665 G HA3 0.585 4.546 3.960 0.003 0.000 0.291 665 G C 1.053 175.945 174.900 -0.015 0.000 1.211 665 G CA -0.902 44.190 45.100 -0.014 0.000 0.950 665 G HN 0.703 nan 8.290 nan 0.000 0.504 666 I N 0.369 120.930 120.570 -0.015 0.000 2.676 666 I HA 0.052 4.224 4.170 0.003 0.000 0.259 666 I C 2.738 178.844 176.117 -0.017 0.000 1.194 666 I CA 0.999 62.290 61.300 -0.015 0.000 1.473 666 I CB -0.395 37.598 38.000 -0.013 0.000 1.096 666 I HN 0.517 nan 8.210 nan 0.000 0.443 667 G N 0.739 109.528 108.800 -0.019 0.000 2.499 667 G HA2 -0.236 3.725 3.960 0.003 0.000 0.221 667 G HA3 -0.236 3.725 3.960 0.003 0.000 0.221 667 G C 1.288 176.172 174.900 -0.026 0.000 1.109 667 G CA 0.884 45.971 45.100 -0.022 0.000 0.749 667 G HN 0.354 nan 8.290 nan 0.000 0.568 668 D N -0.016 120.367 120.400 -0.027 0.000 2.350 668 D HA -0.043 4.599 4.640 0.003 0.000 0.216 668 D C 1.784 178.069 176.300 -0.024 0.000 0.968 668 D CA 1.477 55.460 54.000 -0.028 0.000 0.894 668 D CB 0.076 40.862 40.800 -0.023 0.000 0.909 668 D HN 0.503 nan 8.370 nan 0.000 0.520 669 T N -1.450 113.091 114.554 -0.022 0.000 3.442 669 T HA 0.253 4.604 4.350 0.003 0.000 0.295 669 T C 0.651 175.342 174.700 -0.016 0.000 1.007 669 T CA -0.563 61.523 62.100 -0.022 0.000 0.962 669 T CB 0.396 69.249 68.868 -0.025 0.000 1.187 669 T HN -0.185 nan 8.240 nan 0.000 0.490 670 I N 1.360 121.921 120.570 -0.015 0.000 3.502 670 I HA 0.887 5.059 4.170 0.003 0.000 0.302 670 I C 0.476 176.587 176.117 -0.011 0.000 1.170 670 I CA -1.407 59.887 61.300 -0.011 0.000 0.953 670 I CB 0.523 38.517 38.000 -0.011 0.000 1.475 670 I HN 0.394 nan 8.210 nan 0.000 0.657 671 A N 0.724 123.540 122.820 -0.007 0.000 2.566 671 A HA 0.367 4.689 4.320 0.003 0.000 0.297 671 A C -1.000 176.583 177.584 -0.001 0.000 1.059 671 A CA -0.617 51.418 52.037 -0.004 0.000 0.691 671 A CB 1.005 20.003 19.000 -0.003 0.000 1.282 671 A HN 0.649 nan 8.150 nan 0.000 0.401 672 D N 1.363 121.763 120.400 0.001 0.000 2.583 672 D HA 0.195 4.836 4.640 0.003 0.000 0.232 672 D C 1.697 177.999 176.300 0.004 0.000 1.128 672 D CA 1.707 55.709 54.000 0.002 0.000 0.859 672 D CB 1.159 41.961 40.800 0.004 0.000 1.169 672 D HN 0.693 nan 8.370 nan 0.000 0.481 673 G N 4.895 113.697 108.800 0.004 0.000 2.586 673 G HA2 -0.222 3.739 3.960 0.003 0.000 0.218 673 G HA3 -0.222 3.739 3.960 0.003 0.000 0.218 673 G C -0.831 174.073 174.900 0.007 0.000 1.216 673 G CA 0.551 45.654 45.100 0.005 0.000 0.786 673 G HN 0.539 nan 8.290 nan 0.000 0.583 674 P HA -0.054 nan 4.420 nan 0.000 0.231 674 P C 1.197 178.504 177.300 0.011 0.000 1.154 674 P CA 1.710 64.815 63.100 0.009 0.000 0.762 674 P CB -0.200 31.505 31.700 0.008 0.000 0.790 675 T N -2.786 111.775 114.554 0.011 0.000 3.045 675 T HA 0.096 4.448 4.350 0.003 0.000 0.239 675 T C 1.821 176.530 174.700 0.015 0.000 1.008 675 T CA 0.147 62.256 62.100 0.014 0.000 1.143 675 T CB -0.587 68.290 68.868 0.014 0.000 0.894 675 T HN -0.145 nan 8.240 nan 0.000 0.451 676 M N 1.495 121.102 119.600 0.011 0.000 2.192 676 M HA -0.054 4.428 4.480 0.003 0.000 0.259 676 M C 2.203 178.512 176.300 0.014 0.000 1.071 676 M CA 1.347 56.654 55.300 0.011 0.000 1.082 676 M CB -1.050 31.554 32.600 0.007 0.000 1.373 676 M HN 0.204 nan 8.290 nan 0.000 0.408 677 R N -0.010 120.499 120.500 0.014 0.000 2.064 677 R HA -0.105 4.237 4.340 0.003 0.000 0.228 677 R C 2.080 178.391 176.300 0.018 0.000 1.144 677 R CA 1.502 57.611 56.100 0.015 0.000 0.932 677 R CB -0.204 30.104 30.300 0.013 0.000 0.833 677 R HN 0.381 nan 8.270 nan 0.000 0.429 678 E N -0.077 120.133 120.200 0.018 0.000 2.273 678 E HA -0.213 4.138 4.350 0.003 0.000 0.198 678 E C 1.821 178.436 176.600 0.025 0.000 1.002 678 E CA 1.253 57.665 56.400 0.020 0.000 0.828 678 E CB -0.027 29.684 29.700 0.019 0.000 0.747 678 E HN 0.412 nan 8.360 nan 0.000 0.491 679 I N -0.157 120.430 120.570 0.028 0.000 2.339 679 I HA -0.175 3.997 4.170 0.003 0.000 0.245 679 I C 2.430 178.573 176.117 0.042 0.000 1.096 679 I CA 0.893 62.215 61.300 0.036 0.000 1.408 679 I CB -0.172 37.848 38.000 0.033 0.000 1.092 679 I HN -0.038 nan 8.210 nan 0.000 0.423 680 T N 0.860 115.436 114.554 0.036 0.000 2.708 680 T HA -0.200 4.151 4.350 0.003 0.000 0.266 680 T C 1.640 176.364 174.700 0.039 0.000 1.037 680 T CA 1.738 63.863 62.100 0.042 0.000 1.146 680 T CB -0.387 68.502 68.868 0.034 0.000 0.865 680 T HN 0.576 nan 8.240 nan 0.000 0.435 681 E N 0.289 120.506 120.200 0.029 0.000 2.478 681 E HA -0.061 4.291 4.350 0.003 0.000 0.198 681 E C 1.882 178.494 176.600 0.019 0.000 1.046 681 E CA 0.896 57.309 56.400 0.023 0.000 0.870 681 E CB -0.228 29.482 29.700 0.017 0.000 0.818 681 E HN 0.264 nan 8.360 nan 0.000 0.527 682 T N 0.257 114.826 114.554 0.026 0.000 3.009 682 T HA 0.076 4.428 4.350 0.003 0.000 0.258 682 T C 1.644 176.362 174.700 0.030 0.000 1.063 682 T CA 0.211 62.325 62.100 0.023 0.000 1.139 682 T CB 0.088 68.975 68.868 0.032 0.000 0.890 682 T HN 0.135 nan 8.240 nan 0.000 0.471 683 I N 1.576 122.179 120.570 0.055 0.000 2.286 683 I HA 0.032 4.204 4.170 0.003 0.000 0.245 683 I C 2.870 179.018 176.117 0.052 0.000 1.104 683 I CA 1.059 62.409 61.300 0.082 0.000 1.397 683 I CB -1.486 36.599 38.000 0.142 0.000 1.072 683 I HN 0.217 nan 8.210 nan 0.000 0.417 684 A N 1.574 124.421 122.820 0.044 0.000 1.883 684 A HA -0.250 4.072 4.320 0.003 0.000 0.217 684 A C 2.219 179.808 177.584 0.009 0.000 1.186 684 A CA 2.084 54.141 52.037 0.033 0.000 0.624 684 A CB -0.872 18.147 19.000 0.032 0.000 0.822 684 A HN 0.646 nan 8.150 nan 0.000 0.444 685 E N -0.166 120.031 120.200 -0.006 0.000 2.160 685 E HA -0.073 4.278 4.350 0.003 0.000 0.195 685 E C 1.798 178.361 176.600 -0.061 0.000 0.991 685 E CA 1.285 57.667 56.400 -0.030 0.000 0.810 685 E CB -0.339 29.338 29.700 -0.038 0.000 0.742 685 E HN 0.501 nan 8.360 nan 0.000 0.466 686 A N 0.985 123.767 122.820 -0.064 0.000 2.030 686 A HA 0.031 4.353 4.320 0.003 0.000 0.215 686 A C 2.033 179.562 177.584 -0.092 0.000 1.164 686 A CA 0.552 52.526 52.037 -0.104 0.000 0.697 686 A CB -0.042 18.897 19.000 -0.102 0.000 0.827 686 A HN 0.060 nan 8.150 nan 0.000 0.457 687 K N -0.112 120.254 120.400 -0.057 0.000 2.044 687 K HA -0.038 4.284 4.320 0.003 0.000 0.204 687 K C 1.785 178.384 176.600 -0.002 0.000 1.049 687 K CA 0.973 57.238 56.287 -0.037 0.000 0.945 687 K CB -0.090 32.419 32.500 0.016 0.000 0.724 687 K HN 0.233 nan 8.250 nan 0.000 0.440 688 K N 1.764 122.166 120.400 0.004 0.000 2.555 688 K HA -0.110 4.211 4.320 0.003 0.000 0.193 688 K C 1.612 178.218 176.600 0.009 0.000 1.032 688 K CA 0.827 57.124 56.287 0.015 0.000 1.004 688 K CB 0.206 32.714 32.500 0.014 0.000 0.804 688 K HN 0.005 nan 8.250 nan 0.000 0.496 689 K N -0.271 120.122 120.400 -0.011 0.000 2.244 689 K HA 0.030 4.352 4.320 0.003 0.000 0.200 689 K C 1.698 178.348 176.600 0.084 0.000 1.052 689 K CA 0.273 56.551 56.287 -0.014 0.000 0.980 689 K CB 0.390 32.803 32.500 -0.145 0.000 0.838 689 K HN -0.136 nan 8.250 nan 0.000 0.481 690 V N 1.848 121.815 119.914 0.088 0.000 2.515 690 V HA -0.194 3.928 4.120 0.003 0.000 0.250 690 V C 2.144 178.309 176.094 0.119 0.000 1.058 690 V CA 1.261 63.628 62.300 0.112 0.000 1.064 690 V CB -0.316 31.523 31.823 0.025 0.000 0.675 690 V HN 0.334 nan 8.190 nan 0.000 0.461 691 L N 0.162 121.440 121.223 0.091 0.000 2.131 691 L HA -0.167 4.175 4.340 0.003 0.000 0.210 691 L C 1.839 178.770 176.870 0.102 0.000 1.092 691 L CA 2.029 56.927 54.840 0.097 0.000 0.759 691 L CB -0.472 41.630 42.059 0.071 0.000 0.903 691 L HN 0.271 nan 8.230 nan 0.000 0.435 692 D N -1.509 118.949 120.400 0.097 0.000 2.216 692 D HA -0.052 4.590 4.640 0.003 0.000 0.208 692 D C 2.318 178.690 176.300 0.119 0.000 0.960 692 D CA 1.088 55.143 54.000 0.092 0.000 0.861 692 D CB -0.006 40.835 40.800 0.069 0.000 0.985 692 D HN 0.182 nan 8.370 nan 0.000 0.493 693 V N 0.932 120.944 119.914 0.162 0.000 2.233 693 V HA -0.265 3.856 4.120 0.003 0.000 0.247 693 V C 2.403 178.642 176.094 0.242 0.000 1.050 693 V CA 2.103 64.520 62.300 0.195 0.000 1.010 693 V CB -0.934 31.003 31.823 0.189 0.000 0.637 693 V HN 0.233 nan 8.190 nan 0.000 0.444 694 T N -0.467 114.284 114.554 0.328 0.000 2.685 694 T HA -0.329 4.023 4.350 0.003 0.000 0.268 694 T C 1.919 176.671 174.700 0.086 0.000 1.034 694 T CA 2.156 64.417 62.100 0.268 0.000 1.149 694 T CB -0.273 68.769 68.868 0.289 0.000 0.860 694 T HN 0.421 nan 8.240 nan 0.000 0.449 695 K N 1.066 121.522 120.400 0.093 0.000 1.991 695 K HA -0.176 4.145 4.320 0.003 0.000 0.212 695 K C 2.369 178.991 176.600 0.036 0.000 1.049 695 K CA 1.889 58.209 56.287 0.055 0.000 0.932 695 K CB -0.184 32.352 32.500 0.059 0.000 0.717 695 K HN 0.510 nan 8.250 nan 0.000 0.441 696 E N -0.098 120.134 120.200 0.053 0.000 2.033 696 E HA -0.248 4.104 4.350 0.003 0.000 0.199 696 E C 1.730 178.336 176.600 0.011 0.000 1.011 696 E CA 1.503 57.927 56.400 0.040 0.000 0.815 696 E CB -0.382 29.355 29.700 0.062 0.000 0.755 696 E HN 0.395 nan 8.360 nan 0.000 0.451 697 A N 0.222 123.044 122.820 0.003 0.000 2.194 697 A HA -0.220 4.101 4.320 0.003 0.000 0.220 697 A C 1.916 179.424 177.584 -0.126 0.000 1.162 697 A CA 1.621 53.612 52.037 -0.076 0.000 0.674 697 A CB -0.403 18.496 19.000 -0.169 0.000 0.789 697 A HN 0.453 nan 8.150 nan 0.000 0.470 698 Q N -1.770 117.976 119.800 -0.089 0.000 2.384 698 Q HA 0.285 4.627 4.340 0.003 0.000 0.207 698 Q C 1.238 177.213 176.000 -0.042 0.000 0.904 698 Q CA 0.539 56.294 55.803 -0.080 0.000 0.933 698 Q CB 0.220 28.924 28.738 -0.057 0.000 1.077 698 Q HN 0.591 nan 8.270 nan 0.000 0.522 699 A N 0.839 123.643 122.820 -0.026 0.000 2.713 699 A HA 0.145 4.466 4.320 0.003 0.000 0.296 699 A C 0.152 177.728 177.584 -0.013 0.000 1.255 699 A CA -0.379 51.650 52.037 -0.013 0.000 0.955 699 A CB 0.038 19.038 19.000 -0.001 0.000 1.149 699 A HN 0.268 nan 8.150 nan 0.000 0.538 700 N N -0.432 118.253 118.700 -0.026 0.000 2.710 700 N HA -0.161 4.580 4.740 0.003 0.000 0.249 700 N C 0.387 175.891 175.510 -0.009 0.000 1.059 700 N CA 1.099 54.135 53.050 -0.023 0.000 0.720 700 N CB -1.381 37.093 38.487 -0.020 0.000 0.983 700 N HN 0.617 nan 8.380 nan 0.000 0.544 701 L N -1.373 119.848 121.223 -0.003 0.000 2.609 701 L HA 0.205 4.546 4.340 0.003 0.000 0.230 701 L C 0.948 177.827 176.870 0.014 0.000 1.087 701 L CA -0.408 54.437 54.840 0.009 0.000 0.874 701 L CB 0.056 42.124 42.059 0.015 0.000 1.114 701 L HN 0.116 nan 8.230 nan 0.000 0.488 702 L N 2.094 123.324 121.223 0.011 0.000 2.562 702 L HA 0.094 4.436 4.340 0.003 0.000 0.271 702 L C 0.063 176.942 176.870 0.014 0.000 1.167 702 L CA 1.052 55.905 54.840 0.021 0.000 0.917 702 L CB 0.316 42.390 42.059 0.025 0.000 1.187 702 L HN 0.057 nan 8.230 nan 0.000 0.482 703 T N 4.976 119.543 114.554 0.022 0.000 2.884 703 T HA 0.361 4.713 4.350 0.003 0.000 0.298 703 T C 0.471 175.183 174.700 0.020 0.000 0.998 703 T CA -0.342 61.770 62.100 0.020 0.000 1.124 703 T CB 0.818 69.703 68.868 0.027 0.000 0.931 703 T HN 0.767 nan 8.240 nan 0.000 0.531 704 A N 4.437 127.266 122.820 0.015 0.000 2.457 704 A HA 0.238 4.560 4.320 0.003 0.000 0.298 704 A C 0.511 178.111 177.584 0.026 0.000 1.288 704 A CA -0.379 51.664 52.037 0.010 0.000 0.956 704 A CB -0.391 18.607 19.000 -0.003 0.000 1.135 704 A HN 0.800 nan 8.150 nan 0.000 0.535 705 K N 2.175 122.592 120.400 0.028 0.000 2.484 705 K HA -0.019 4.303 4.320 0.003 0.000 0.280 705 K C 0.211 176.847 176.600 0.061 0.000 1.013 705 K CA 0.151 56.469 56.287 0.052 0.000 1.029 705 K CB 0.172 32.694 32.500 0.038 0.000 0.902 705 K HN 0.829 nan 8.250 nan 0.000 0.481 706 H N 1.483 120.564 119.070 0.017 0.000 3.167 706 H HA 0.016 4.574 4.556 0.003 0.000 0.306 706 H C 0.901 176.238 175.328 0.014 0.000 0.965 706 H CA 1.781 57.837 56.048 0.014 0.000 1.408 706 H CB 0.111 29.883 29.762 0.017 0.000 1.406 706 H HN 0.802 nan 8.280 nan 0.000 0.576 707 G N 5.059 113.549 108.800 -0.518 0.000 2.368 707 G HA2 -0.160 3.802 3.960 0.003 0.000 0.290 707 G HA3 -0.160 3.802 3.960 0.003 0.000 0.290 707 G C -0.245 174.576 174.900 -0.131 0.000 1.098 707 G CA 0.333 45.230 45.100 -0.339 0.000 1.073 707 G HN 0.915 nan 8.290 nan 0.000 0.511 708 M N -2.292 117.244 119.600 -0.107 0.000 2.853 708 M HA 0.495 4.976 4.480 0.003 0.000 0.273 708 M C 0.005 176.277 176.300 -0.046 0.000 1.128 708 M CA -0.978 54.289 55.300 -0.055 0.000 0.814 708 M CB 0.210 32.793 32.600 -0.029 0.000 1.667 708 M HN 0.135 nan 8.290 nan 0.000 0.519 709 T N 1.113 115.649 114.554 -0.030 0.000 2.791 709 T HA 0.176 4.527 4.350 0.003 0.000 0.323 709 T C 1.157 175.846 174.700 -0.018 0.000 1.082 709 T CA -0.235 61.851 62.100 -0.023 0.000 1.084 709 T CB 0.654 69.515 68.868 -0.012 0.000 0.992 709 T HN 0.569 nan 8.240 nan 0.000 0.547 710 L N 0.950 122.159 121.223 -0.023 0.000 2.017 710 L HA -0.062 4.280 4.340 0.003 0.000 0.208 710 L C 2.954 179.817 176.870 -0.013 0.000 1.073 710 L CA 1.663 56.490 54.840 -0.022 0.000 0.745 710 L CB -0.375 41.660 42.059 -0.040 0.000 0.894 710 L HN 0.557 nan 8.230 nan 0.000 0.432 711 R N -0.586 119.896 120.500 -0.030 0.000 2.080 711 R HA -0.208 4.134 4.340 0.003 0.000 0.236 711 R C 2.232 178.570 176.300 0.064 0.000 1.137 711 R CA 1.821 57.913 56.100 -0.014 0.000 0.943 711 R CB -0.415 29.867 30.300 -0.030 0.000 0.846 711 R HN 0.451 nan 8.270 nan 0.000 0.431 712 E N 0.153 120.370 120.200 0.029 0.000 2.097 712 E HA -0.198 4.153 4.350 0.003 0.000 0.196 712 E C 1.971 178.576 176.600 0.009 0.000 1.000 712 E CA 1.834 58.246 56.400 0.020 0.000 0.804 712 E CB -0.049 29.653 29.700 0.002 0.000 0.740 712 E HN 0.363 nan 8.360 nan 0.000 0.454 713 S N -0.093 115.614 115.700 0.013 0.000 2.481 713 S HA -0.112 4.359 4.470 0.003 0.000 0.231 713 S C 1.720 176.313 174.600 -0.013 0.000 0.996 713 S CA 0.344 58.538 58.200 -0.010 0.000 0.942 713 S CB -0.272 62.926 63.200 -0.003 0.000 0.768 713 S HN 0.343 nan 8.310 nan 0.000 0.520 714 F N 2.315 122.194 119.950 -0.118 0.000 2.270 714 F HA 0.188 4.716 4.527 0.003 0.000 0.295 714 F C 2.318 178.027 175.800 -0.150 0.000 1.087 714 F CA 1.033 58.946 58.000 -0.145 0.000 1.365 714 F CB -0.131 38.777 39.000 -0.153 0.000 1.056 714 F HN 0.040 nan 8.300 nan 0.000 0.506 715 E N 0.723 120.864 120.200 -0.098 0.000 2.038 715 E HA -0.268 4.084 4.350 0.003 0.000 0.195 715 E C 2.005 178.446 176.600 -0.264 0.000 1.000 715 E CA 1.540 57.826 56.400 -0.190 0.000 0.803 715 E CB -0.899 28.780 29.700 -0.034 0.000 0.750 715 E HN 0.513 nan 8.360 nan 0.000 0.448 716 D N 0.390 120.678 120.400 -0.186 0.000 2.149 716 D HA -0.165 4.477 4.640 0.003 0.000 0.198 716 D C 1.485 177.597 176.300 -0.313 0.000 0.990 716 D CA 0.755 54.641 54.000 -0.190 0.000 0.839 716 D CB 0.072 40.799 40.800 -0.121 0.000 0.948 716 D HN 0.024 nan 8.370 nan 0.000 0.460 717 N N -0.164 118.284 118.700 -0.420 0.000 2.223 717 N HA -0.115 4.626 4.740 0.003 0.000 0.185 717 N C 1.812 176.791 175.510 -0.886 0.000 1.016 717 N CA 0.448 53.089 53.050 -0.681 0.000 0.863 717 N CB -0.047 38.087 38.487 -0.588 0.000 0.983 717 N HN 0.152 nan 8.380 nan 0.000 0.429 718 V N -0.165 119.348 119.914 -0.668 0.000 2.326 718 V HA -0.083 4.038 4.120 0.003 0.000 0.237 718 V C 2.347 178.262 176.094 -0.299 0.000 1.044 718 V CA 0.757 62.748 62.300 -0.515 0.000 1.035 718 V CB -0.688 30.776 31.823 -0.597 0.000 0.675 718 V HN -0.037 nan 8.190 nan 0.000 0.470 719 V N 0.487 120.254 119.914 -0.246 0.000 2.236 719 V HA -0.421 3.701 4.120 0.003 0.000 0.255 719 V C 2.558 178.601 176.094 -0.085 0.000 1.068 719 V CA 2.730 64.950 62.300 -0.133 0.000 1.044 719 V CB -0.995 30.768 31.823 -0.100 0.000 0.653 719 V HN 0.460 nan 8.190 nan 0.000 0.448 720 R N -1.117 119.316 120.500 -0.112 0.000 2.105 720 R HA -0.125 4.217 4.340 0.003 0.000 0.239 720 R C 2.297 178.672 176.300 0.124 0.000 1.135 720 R CA 1.856 57.940 56.100 -0.027 0.000 0.967 720 R CB -0.388 29.868 30.300 -0.074 0.000 0.861 720 R HN 0.552 nan 8.270 nan 0.000 0.442 721 F N -0.045 119.833 119.950 -0.119 0.000 2.407 721 F HA -0.101 4.427 4.527 0.002 0.000 0.299 721 F C 1.866 177.575 175.800 -0.151 0.000 1.097 721 F CA 0.319 58.245 58.000 -0.123 0.000 1.422 721 F CB 0.214 39.128 39.000 -0.143 0.000 1.067 721 F HN 0.037 nan 8.300 nan 0.000 0.539 722 L N -1.306 119.912 121.223 -0.010 0.000 2.388 722 L HA 0.011 4.353 4.340 0.003 0.000 0.209 722 L C 1.606 178.480 176.870 0.007 0.000 1.061 722 L CA 0.274 54.999 54.840 -0.192 0.000 0.834 722 L CB -0.555 41.185 42.059 -0.532 0.000 1.029 722 L HN -0.100 nan 8.230 nan 0.000 0.473 723 N N 0.468 119.200 118.700 0.054 0.000 2.258 723 N HA -0.212 4.530 4.740 0.003 0.000 0.187 723 N C 1.647 177.217 175.510 0.100 0.000 1.012 723 N CA 1.233 54.343 53.050 0.101 0.000 0.870 723 N CB 0.066 38.594 38.487 0.068 0.000 0.977 723 N HN 0.337 nan 8.380 nan 0.000 0.434 724 E N -0.577 119.670 120.200 0.079 0.000 2.122 724 E HA 0.099 4.451 4.350 0.003 0.000 0.190 724 E C 1.933 178.570 176.600 0.062 0.000 0.977 724 E CA 0.583 57.023 56.400 0.067 0.000 0.820 724 E CB 0.009 29.746 29.700 0.061 0.000 0.770 724 E HN 0.364 nan 8.360 nan 0.000 0.462 725 A N 1.690 124.540 122.820 0.050 0.000 1.865 725 A HA -0.261 4.061 4.320 0.003 0.000 0.217 725 A C 2.099 179.762 177.584 0.133 0.000 1.191 725 A CA 1.826 53.903 52.037 0.065 0.000 0.623 725 A CB -0.581 18.444 19.000 0.042 0.000 0.826 725 A HN 0.128 nan 8.150 nan 0.000 0.444 726 R N -0.521 120.096 120.500 0.196 0.000 2.105 726 R HA -0.206 4.135 4.340 0.003 0.000 0.239 726 R C 1.326 177.744 176.300 0.197 0.000 1.135 726 R CA 2.086 58.311 56.100 0.208 0.000 0.967 726 R CB -0.407 30.032 30.300 0.231 0.000 0.861 726 R HN 0.487 nan 8.270 nan 0.000 0.442 727 D N 0.093 120.608 120.400 0.193 0.000 2.103 727 D HA -0.120 4.521 4.640 0.003 0.000 0.199 727 D C 1.735 178.154 176.300 0.199 0.000 0.978 727 D CA 1.190 55.327 54.000 0.228 0.000 0.829 727 D CB -0.085 40.782 40.800 0.112 0.000 0.981 727 D HN 0.109 nan 8.370 nan 0.000 0.464 728 K N 0.871 121.342 120.400 0.118 0.000 2.032 728 K HA -0.105 4.217 4.320 0.003 0.000 0.209 728 K C 1.829 178.497 176.600 0.112 0.000 1.048 728 K CA 1.588 57.928 56.287 0.088 0.000 0.927 728 K CB -0.344 32.186 32.500 0.050 0.000 0.712 728 K HN 0.055 nan 8.250 nan 0.000 0.441 729 A N 0.082 122.973 122.820 0.119 0.000 1.873 729 A HA 0.010 4.332 4.320 0.003 0.000 0.215 729 A C 2.445 180.094 177.584 0.109 0.000 1.186 729 A CA 1.789 53.886 52.037 0.100 0.000 0.616 729 A CB -1.452 17.604 19.000 0.094 0.000 0.823 729 A HN 0.508 nan 8.150 nan 0.000 0.442 730 G N -0.518 108.372 108.800 0.150 0.000 2.459 730 G HA2 -0.273 3.688 3.960 0.003 0.000 0.217 730 G HA3 -0.273 3.688 3.960 0.003 0.000 0.217 730 G C 1.749 176.784 174.900 0.224 0.000 1.183 730 G CA 1.009 46.161 45.100 0.087 0.000 0.776 730 G HN 0.536 nan 8.290 nan 0.000 0.552 731 R N -0.468 120.323 120.500 0.485 0.000 2.193 731 R HA 0.143 4.484 4.340 0.003 0.000 0.229 731 R C 2.510 178.914 176.300 0.173 0.000 1.110 731 R CA 0.446 56.767 56.100 0.368 0.000 0.988 731 R CB -0.318 30.096 30.300 0.190 0.000 0.871 731 R HN 0.347 nan 8.270 nan 0.000 0.458 732 L N -0.330 120.970 121.223 0.127 0.000 2.217 732 L HA -0.073 4.269 4.340 0.003 0.000 0.211 732 L C 1.929 178.836 176.870 0.062 0.000 1.107 732 L CA 0.998 55.884 54.840 0.077 0.000 0.783 732 L CB -0.107 41.989 42.059 0.061 0.000 0.919 732 L HN 0.197 nan 8.230 nan 0.000 0.442 733 A N -1.421 121.435 122.820 0.059 0.000 2.220 733 A HA -0.084 4.238 4.320 0.003 0.000 0.211 733 A C 2.003 179.606 177.584 0.031 0.000 1.176 733 A CA 0.366 52.419 52.037 0.028 0.000 0.834 733 A CB -0.083 18.917 19.000 0.000 0.000 0.868 733 A HN 0.445 nan 8.150 nan 0.000 0.488 734 E N 0.051 120.297 120.200 0.076 0.000 2.107 734 E HA -0.110 4.242 4.350 0.003 0.000 0.191 734 E C 1.628 178.272 176.600 0.073 0.000 0.982 734 E CA 1.342 57.799 56.400 0.095 0.000 0.809 734 E CB -0.050 29.779 29.700 0.215 0.000 0.756 734 E HN 0.278 nan 8.360 nan 0.000 0.459 735 V N 1.662 121.619 119.914 0.071 0.000 2.343 735 V HA -0.266 3.856 4.120 0.003 0.000 0.247 735 V C 2.262 178.377 176.094 0.034 0.000 1.051 735 V CA 2.032 64.362 62.300 0.049 0.000 1.036 735 V CB -0.799 31.051 31.823 0.045 0.000 0.654 735 V HN 0.377 nan 8.190 nan 0.000 0.451 736 N N -0.270 118.447 118.700 0.030 0.000 2.309 736 N HA -0.089 4.653 4.740 0.003 0.000 0.182 736 N C 0.601 176.119 175.510 0.013 0.000 1.018 736 N CA 0.678 53.739 53.050 0.019 0.000 0.876 736 N CB -0.268 38.228 38.487 0.015 0.000 0.972 736 N HN 0.438 nan 8.380 nan 0.000 0.434 737 L N 1.727 122.959 121.223 0.014 0.000 2.410 737 L HA 0.100 4.441 4.340 0.003 0.000 0.273 737 L C 0.825 177.699 176.870 0.006 0.000 1.152 737 L CA -0.122 54.722 54.840 0.006 0.000 0.855 737 L CB 0.824 42.886 42.059 0.005 0.000 1.129 737 L HN 0.227 nan 8.230 nan 0.000 0.463 738 K N 1.856 122.255 120.400 -0.003 0.000 2.386 738 K HA 0.061 4.382 4.320 0.003 0.000 0.249 738 K C 0.196 176.792 176.600 -0.007 0.000 1.055 738 K CA -0.738 55.547 56.287 -0.004 0.000 0.930 738 K CB 0.545 33.038 32.500 -0.010 0.000 1.230 738 K HN 0.437 nan 8.250 nan 0.000 0.507 739 D N 0.188 120.582 120.400 -0.009 0.000 2.240 739 D HA -0.021 4.621 4.640 0.003 0.000 0.206 739 D C 1.516 177.798 176.300 -0.029 0.000 0.963 739 D CA 0.664 54.658 54.000 -0.010 0.000 0.863 739 D CB 0.008 40.806 40.800 -0.004 0.000 0.973 739 D HN 0.349 nan 8.370 nan 0.000 0.501 740 L N -0.414 120.783 121.223 -0.043 0.000 2.622 740 L HA 0.121 4.462 4.340 0.003 0.000 0.233 740 L C 0.443 177.241 176.870 -0.118 0.000 1.156 740 L CA 0.363 55.156 54.840 -0.078 0.000 0.866 740 L CB -1.240 40.779 42.059 -0.066 0.000 0.980 740 L HN -0.201 nan 8.230 nan 0.000 0.448 741 N N 0.937 119.587 118.700 -0.085 0.000 2.415 741 N HA 0.049 4.790 4.740 0.003 0.000 0.250 741 N C 0.978 176.429 175.510 -0.099 0.000 1.127 741 N CA -0.158 52.843 53.050 -0.083 0.000 0.945 741 N CB 0.177 38.640 38.487 -0.041 0.000 1.196 741 N HN 0.112 nan 8.380 nan 0.000 0.499 742 N N 2.453 121.042 118.700 -0.186 0.000 2.089 742 N HA -0.230 4.511 4.740 0.003 0.000 0.198 742 N C 1.292 176.856 175.510 0.090 0.000 1.017 742 N CA 1.303 54.207 53.050 -0.243 0.000 0.880 742 N CB -0.356 37.978 38.487 -0.255 0.000 1.042 742 N HN 0.333 nan 8.380 nan 0.000 0.446 743 V N 1.706 121.657 119.914 0.062 0.000 2.214 743 V HA -0.233 3.888 4.120 0.003 0.000 0.244 743 V C 2.416 178.553 176.094 0.071 0.000 1.045 743 V CA 1.589 63.932 62.300 0.071 0.000 0.993 743 V CB -0.566 31.267 31.823 0.018 0.000 0.633 743 V HN 0.323 nan 8.190 nan 0.000 0.449 744 K N -0.630 119.792 120.400 0.037 0.000 2.259 744 K HA -0.307 4.015 4.320 0.003 0.000 0.206 744 K C 2.224 178.862 176.600 0.063 0.000 1.044 744 K CA 2.077 58.387 56.287 0.039 0.000 0.931 744 K CB -0.164 32.348 32.500 0.020 0.000 0.726 744 K HN 0.564 nan 8.250 nan 0.000 0.467 745 Q N -0.880 118.973 119.800 0.088 0.000 2.212 745 Q HA 0.023 4.364 4.340 0.003 0.000 0.199 745 Q C 2.034 178.172 176.000 0.229 0.000 0.950 745 Q CA 0.707 56.598 55.803 0.145 0.000 0.863 745 Q CB 0.175 28.985 28.738 0.119 0.000 0.944 745 Q HN 0.324 nan 8.270 nan 0.000 0.465 746 M N -0.634 119.114 119.600 0.246 0.000 2.288 746 M HA -0.109 4.373 4.480 0.003 0.000 0.266 746 M C 1.914 178.260 176.300 0.077 0.000 1.072 746 M CA 0.831 56.217 55.300 0.143 0.000 1.132 746 M CB 0.379 33.038 32.600 0.099 0.000 1.386 746 M HN 0.004 nan 8.290 nan 0.000 0.432 747 V N -0.108 119.853 119.914 0.078 0.000 2.871 747 V HA -0.179 3.942 4.120 0.003 0.000 0.256 747 V C 2.192 178.320 176.094 0.057 0.000 1.082 747 V CA 1.201 63.536 62.300 0.059 0.000 1.105 747 V CB -0.475 31.384 31.823 0.059 0.000 0.713 747 V HN 0.504 nan 8.190 nan 0.000 0.473 748 M N -0.395 119.244 119.600 0.066 0.000 2.200 748 M HA -0.077 4.404 4.480 0.003 0.000 0.265 748 M C 2.260 178.586 176.300 0.042 0.000 1.066 748 M CA 1.837 57.170 55.300 0.054 0.000 1.127 748 M CB -0.281 32.354 32.600 0.058 0.000 1.379 748 M HN 0.430 nan 8.290 nan 0.000 0.420 749 A N -0.472 122.377 122.820 0.048 0.000 1.874 749 A HA 0.253 4.575 4.320 0.003 0.000 0.214 749 A C 1.577 179.168 177.584 0.012 0.000 1.189 749 A CA 1.349 53.401 52.037 0.025 0.000 0.615 749 A CB -0.608 18.406 19.000 0.023 0.000 0.830 749 A HN 0.589 nan 8.150 nan 0.000 0.443 750 G N -0.650 108.161 108.800 0.018 0.000 2.215 750 G HA2 -0.146 3.816 3.960 0.003 0.000 0.198 750 G HA3 -0.146 3.816 3.960 0.003 0.000 0.198 750 G C 0.771 175.672 174.900 0.002 0.000 1.047 750 G CA 1.092 46.200 45.100 0.014 0.000 0.747 750 G HN 1.305 nan 8.290 nan 0.000 0.495 751 S N -1.232 114.464 115.700 -0.006 0.000 2.341 751 S HA 0.402 4.873 4.470 0.003 0.000 0.216 751 S C 0.890 175.477 174.600 -0.021 0.000 1.034 751 S CA 0.966 59.149 58.200 -0.027 0.000 0.964 751 S CB 0.555 63.715 63.200 -0.068 0.000 0.882 751 S HN 0.329 nan 8.310 nan 0.000 0.469 752 K N 0.941 121.332 120.400 -0.016 0.000 2.502 752 K HA 0.621 4.942 4.320 0.003 0.000 0.257 752 K C -0.121 176.482 176.600 0.004 0.000 0.938 752 K CA 0.250 56.532 56.287 -0.008 0.000 0.819 752 K CB 1.536 34.026 32.500 -0.016 0.000 1.333 752 K HN 0.650 nan 8.250 nan 0.000 0.434 753 G N 0.897 109.701 108.800 0.006 0.000 2.692 753 G HA2 -0.173 3.788 3.960 0.003 0.000 0.686 753 G HA3 -0.173 3.788 3.960 0.003 0.000 0.686 753 G C -0.173 174.745 174.900 0.030 0.000 1.243 753 G CA -0.084 45.023 45.100 0.010 0.000 0.782 753 G HN 0.765 nan 8.290 nan 0.000 0.625 754 S N 0.090 115.815 115.700 0.041 0.000 2.702 754 S HA 0.790 5.261 4.470 0.003 0.000 0.272 754 S C 1.404 176.070 174.600 0.109 0.000 1.068 754 S CA 0.509 58.759 58.200 0.084 0.000 0.964 754 S CB 0.899 64.163 63.200 0.106 0.000 1.307 754 S HN 1.776 nan 8.310 nan 0.000 0.567 755 F N 0.662 120.618 119.950 0.010 0.000 2.094 755 F HA 0.138 4.666 4.527 0.003 0.000 0.291 755 F C 2.041 177.849 175.800 0.014 0.000 1.109 755 F CA 1.129 59.137 58.000 0.013 0.000 1.221 755 F CB -0.630 38.379 39.000 0.014 0.000 1.014 755 F HN 0.441 nan 8.300 nan 0.000 0.473 756 I N 1.973 122.573 120.570 0.050 0.000 2.248 756 I HA -0.348 3.824 4.170 0.003 0.000 0.248 756 I C 2.069 178.074 176.117 -0.185 0.000 1.107 756 I CA 1.469 62.714 61.300 -0.092 0.000 1.373 756 I CB -1.087 36.995 38.000 0.137 0.000 1.055 756 I HN 0.266 nan 8.210 nan 0.000 0.418 757 N N 0.489 119.121 118.700 -0.114 0.000 2.094 757 N HA -0.209 4.532 4.740 0.003 0.000 0.191 757 N C 1.968 177.384 175.510 -0.156 0.000 1.023 757 N CA 2.021 55.004 53.050 -0.113 0.000 0.857 757 N CB -0.235 38.211 38.487 -0.068 0.000 1.013 757 N HN 0.441 nan 8.380 nan 0.000 0.426 758 I N 1.090 121.532 120.570 -0.214 0.000 2.162 758 I HA -0.177 3.995 4.170 0.003 0.000 0.238 758 I C 2.485 178.434 176.117 -0.280 0.000 1.076 758 I CA 0.759 61.924 61.300 -0.226 0.000 1.353 758 I CB -0.568 37.294 38.000 -0.231 0.000 1.063 758 I HN 0.015 nan 8.210 nan 0.000 0.408 759 A N 0.555 123.059 122.820 -0.527 0.000 1.940 759 A HA -0.313 4.009 4.320 0.003 0.000 0.221 759 A C 2.233 179.714 177.584 -0.172 0.000 1.190 759 A CA 2.078 53.850 52.037 -0.442 0.000 0.647 759 A CB -0.775 17.821 19.000 -0.673 0.000 0.821 759 A HN 0.555 nan 8.150 nan 0.000 0.457 760 Q N -1.351 118.379 119.800 -0.118 0.000 1.922 760 Q HA -0.075 4.267 4.340 0.003 0.000 0.201 760 Q C 2.331 178.389 176.000 0.096 0.000 0.979 760 Q CA 1.242 57.060 55.803 0.026 0.000 0.841 760 Q CB -0.365 28.431 28.738 0.096 0.000 0.903 760 Q HN 0.677 nan 8.270 nan 0.000 0.431 761 M N 0.464 120.089 119.600 0.042 0.000 2.345 761 M HA -0.298 4.184 4.480 0.003 0.000 0.253 761 M C 2.150 178.474 176.300 0.040 0.000 1.068 761 M CA 1.732 57.048 55.300 0.026 0.000 1.069 761 M CB -0.583 31.970 32.600 -0.078 0.000 1.292 761 M HN 0.113 nan 8.290 nan 0.000 0.430 762 S N -1.829 113.863 115.700 -0.013 0.000 2.492 762 S HA 0.312 4.784 4.470 0.003 0.000 0.218 762 S C 1.429 176.021 174.600 -0.014 0.000 1.016 762 S CA 0.556 58.747 58.200 -0.016 0.000 0.916 762 S CB 0.469 63.649 63.200 -0.033 0.000 0.791 762 S HN 0.559 nan 8.310 nan 0.000 0.513 763 A N -1.036 121.772 122.820 -0.020 0.000 1.917 763 A HA 0.563 4.885 4.320 0.003 0.000 0.200 763 A C 0.488 178.062 177.584 -0.017 0.000 1.671 763 A CA 0.239 52.268 52.037 -0.013 0.000 1.034 763 A CB 0.336 19.332 19.000 -0.007 0.000 1.057 763 A HN 0.487 nan 8.150 nan 0.000 0.507 764 C N -1.271 118.011 119.300 -0.030 0.000 3.302 764 C HA 0.473 4.935 4.460 0.003 0.000 0.347 764 C C 0.945 175.879 174.990 -0.094 0.000 1.218 764 C CA 0.074 59.051 59.018 -0.068 0.000 1.234 764 C CB 1.034 28.767 27.740 -0.011 0.000 1.551 764 C HN 1.113 nan 8.230 nan 0.000 0.501 765 V N 3.125 122.915 119.914 -0.207 0.000 3.621 765 V HA 0.699 4.820 4.120 0.003 0.000 0.263 765 V C 1.155 177.139 176.094 -0.184 0.000 1.272 765 V CA 1.957 64.142 62.300 -0.191 0.000 1.080 765 V CB -0.257 31.363 31.823 -0.339 0.000 0.816 765 V HN 2.737 nan 8.190 nan 0.000 0.451 766 G N 0.818 109.433 108.800 -0.309 0.000 2.615 766 G HA2 -0.228 3.733 3.960 0.003 0.000 0.218 766 G HA3 -0.228 3.733 3.960 0.003 0.000 0.218 766 G C -0.533 174.320 174.900 -0.078 0.000 1.339 766 G CA 0.229 45.274 45.100 -0.092 0.000 0.884 766 G HN 0.950 nan 8.290 nan 0.000 0.559 767 Q N -0.261 119.686 119.800 0.244 0.000 2.261 767 Q HA 0.660 5.002 4.340 0.003 0.000 0.252 767 Q C 0.239 176.294 176.000 0.091 0.000 0.915 767 Q CA 0.004 55.949 55.803 0.235 0.000 0.915 767 Q CB 1.183 30.056 28.738 0.225 0.000 1.204 767 Q HN 0.653 nan 8.270 nan 0.000 0.421 768 Q N 0.771 120.610 119.800 0.065 0.000 2.212 768 Q HA 0.705 5.047 4.340 0.003 0.000 0.238 768 Q C -1.300 174.720 176.000 0.034 0.000 0.955 768 Q CA -0.113 55.727 55.803 0.063 0.000 0.906 768 Q CB 1.767 30.568 28.738 0.105 0.000 1.215 768 Q HN 0.735 nan 8.270 nan 0.000 0.478 769 S N -0.436 115.287 115.700 0.037 0.000 2.537 769 S HA 0.794 5.265 4.470 0.003 0.000 0.270 769 S C -1.580 173.027 174.600 0.011 0.000 1.142 769 S CA -0.755 57.453 58.200 0.014 0.000 0.870 769 S CB 1.242 64.453 63.200 0.018 0.000 1.112 769 S HN 0.320 nan 8.310 nan 0.000 0.466 770 V N 2.003 121.915 119.914 -0.004 0.000 2.789 770 V HA 0.584 4.705 4.120 0.003 0.000 0.311 770 V C -0.395 175.698 176.094 -0.002 0.000 1.073 770 V CA -0.575 61.723 62.300 -0.004 0.000 0.921 770 V CB 1.444 33.259 31.823 -0.013 0.000 1.009 770 V HN 1.170 nan 8.190 nan 0.000 0.426 771 E N 3.156 123.357 120.200 0.002 0.000 2.149 771 E HA -0.224 4.128 4.350 0.003 0.000 0.191 771 E C 1.170 177.773 176.600 0.006 0.000 1.384 771 E CA 0.999 57.402 56.400 0.005 0.000 0.698 771 E CB -1.093 28.611 29.700 0.006 0.000 1.086 771 E HN 1.456 nan 8.360 nan 0.000 0.338 772 G N 0.413 109.217 108.800 0.007 0.000 2.380 772 G HA2 -0.405 3.556 3.960 0.003 0.000 0.298 772 G HA3 -0.405 3.556 3.960 0.003 0.000 0.298 772 G C 0.113 175.013 174.900 -0.000 0.000 0.989 772 G CA 1.260 46.363 45.100 0.006 0.000 0.836 772 G HN 0.349 nan 8.290 nan 0.000 0.511 773 K N -0.414 119.982 120.400 -0.005 0.000 2.426 773 K HA 0.442 4.764 4.320 0.003 0.000 0.251 773 K C 1.024 177.606 176.600 -0.030 0.000 0.941 773 K CA -1.101 55.177 56.287 -0.014 0.000 0.808 773 K CB 1.780 34.275 32.500 -0.008 0.000 1.265 773 K HN 0.403 nan 8.250 nan 0.000 0.432 774 R N 1.633 122.107 120.500 -0.043 0.000 2.919 774 R HA 0.170 4.512 4.340 0.003 0.000 0.284 774 R C 0.109 176.337 176.300 -0.120 0.000 1.104 774 R CA -0.465 55.591 56.100 -0.072 0.000 1.207 774 R CB 0.033 30.288 30.300 -0.076 0.000 1.162 774 R HN 0.352 nan 8.270 nan 0.000 0.561 775 I N 1.575 122.032 120.570 -0.188 0.000 2.581 775 I HA -0.003 4.169 4.170 0.003 0.000 0.285 775 I C 1.132 177.089 176.117 -0.267 0.000 1.129 775 I CA 0.184 61.356 61.300 -0.214 0.000 1.397 775 I CB -0.265 37.528 38.000 -0.345 0.000 1.399 775 I HN 0.766 nan 8.210 nan 0.000 0.537 776 A N 7.479 130.199 122.820 -0.167 0.000 2.433 776 A HA 0.203 4.525 4.320 0.003 0.000 0.250 776 A C -0.224 177.240 177.584 -0.200 0.000 1.113 776 A CA 0.135 52.075 52.037 -0.161 0.000 0.794 776 A CB 0.025 19.001 19.000 -0.039 0.000 1.067 776 A HN 0.581 nan 8.150 nan 0.000 0.510 777 F N 0.457 120.414 119.950 0.011 0.000 2.291 777 F HA 0.391 4.919 4.527 0.003 0.000 0.368 777 F C 1.488 177.275 175.800 -0.020 0.000 1.085 777 F CA 0.088 58.094 58.000 0.011 0.000 1.165 777 F CB 1.208 40.212 39.000 0.006 0.000 1.429 777 F HN 0.727 nan 8.300 nan 0.000 0.503 778 G N 3.410 112.259 108.800 0.082 0.000 2.425 778 G HA2 -0.075 3.886 3.960 0.003 0.000 0.213 778 G HA3 -0.075 3.886 3.960 0.003 0.000 0.213 778 G C 0.365 175.170 174.900 -0.159 0.000 1.201 778 G CA -0.064 44.953 45.100 -0.139 0.000 0.799 778 G HN 0.351 nan 8.290 nan 0.000 0.534 779 F N 1.330 121.371 119.950 0.152 0.000 2.504 779 F HA 0.322 4.851 4.527 0.003 0.000 0.369 779 F C 0.774 176.619 175.800 0.075 0.000 1.082 779 F CA -0.921 57.138 58.000 0.098 0.000 1.216 779 F CB 1.033 40.085 39.000 0.087 0.000 1.108 779 F HN -0.244 nan 8.300 nan 0.000 0.554 780 V N 5.263 125.290 119.914 0.188 0.000 2.795 780 V HA -0.246 3.875 4.120 0.003 0.000 0.298 780 V C 0.714 176.758 176.094 -0.085 0.000 1.107 780 V CA 0.814 63.136 62.300 0.037 0.000 1.270 780 V CB -0.684 31.157 31.823 0.029 0.000 0.831 780 V HN 0.911 nan 8.190 nan 0.000 0.473 781 D N 3.008 123.208 120.400 -0.334 0.000 2.882 781 D HA -0.204 4.438 4.640 0.003 0.000 0.229 781 D C 0.537 176.417 176.300 -0.700 0.000 1.167 781 D CA 1.732 55.263 54.000 -0.780 0.000 0.759 781 D CB -0.197 40.341 40.800 -0.437 0.000 1.088 781 D HN 0.942 nan 8.370 nan 0.000 0.425 782 R N -3.546 116.862 120.500 -0.154 0.000 2.733 782 R HA 0.570 4.911 4.340 0.003 0.000 0.272 782 R C 0.518 177.263 176.300 0.743 0.000 1.029 782 R CA -0.900 55.452 56.100 0.419 0.000 0.888 782 R CB 0.485 30.958 30.300 0.288 0.000 1.251 782 R HN -0.253 nan 8.270 nan 0.000 0.464 783 T N 0.103 115.027 114.554 0.615 0.000 2.925 783 T HA 0.282 4.634 4.350 0.003 0.000 0.245 783 T C 0.531 175.660 174.700 0.715 0.000 1.025 783 T CA 0.491 62.909 62.100 0.531 0.000 1.149 783 T CB 0.035 69.165 68.868 0.436 0.000 0.866 783 T HN 0.235 nan 8.240 nan 0.000 0.437 784 L N 0.913 122.609 121.223 0.789 0.000 2.354 784 L HA 0.403 4.744 4.340 0.003 0.000 0.264 784 L C -2.173 174.773 176.870 0.127 0.000 1.008 784 L CA -2.508 52.657 54.840 0.541 0.000 0.819 784 L CB 2.289 44.609 42.059 0.435 0.000 1.339 784 L HN -0.136 nan 8.230 nan 0.000 0.420 785 P HA -0.000 nan 4.420 nan 0.000 0.253 785 P C 0.258 177.271 177.300 -0.478 0.000 1.260 785 P CA 0.504 63.293 63.100 -0.520 0.000 0.800 785 P CB -0.031 31.184 31.700 -0.807 0.000 1.162 786 H N -0.796 118.141 119.070 -0.220 0.000 2.708 786 H HA 0.288 4.845 4.556 0.003 0.000 0.309 786 H C -0.066 175.001 175.328 -0.435 0.000 1.084 786 H CA 0.137 55.984 56.048 -0.334 0.000 1.165 786 H CB -0.793 28.701 29.762 -0.445 0.000 1.388 786 H HN 0.211 nan 8.280 nan 0.000 0.553 787 F N -0.332 119.668 119.950 0.084 0.000 2.631 787 F HA 0.208 4.737 4.527 0.003 0.000 0.308 787 F C 0.325 176.161 175.800 0.059 0.000 1.097 787 F CA -1.177 56.887 58.000 0.107 0.000 0.952 787 F CB 1.708 40.807 39.000 0.166 0.000 1.307 787 F HN -0.108 nan 8.300 nan 0.000 0.450 788 S N 0.953 116.843 115.700 0.317 0.000 2.587 788 S HA 0.169 4.641 4.470 0.003 0.000 0.260 788 S C -0.180 174.488 174.600 0.114 0.000 1.353 788 S CA -0.657 57.636 58.200 0.156 0.000 0.995 788 S CB 0.621 63.893 63.200 0.119 0.000 0.912 788 S HN 0.416 nan 8.310 nan 0.000 0.568 789 K N 0.758 121.182 120.400 0.041 0.000 2.138 789 K HA 0.101 4.423 4.320 0.003 0.000 0.251 789 K C -0.213 176.348 176.600 -0.065 0.000 1.015 789 K CA -0.223 56.047 56.287 -0.029 0.000 0.917 789 K CB 0.195 32.663 32.500 -0.054 0.000 1.021 789 K HN 0.554 nan 8.250 nan 0.000 0.485 790 D N 1.751 122.042 120.400 -0.182 0.000 2.686 790 D HA -0.204 4.437 4.640 0.003 0.000 0.235 790 D C -0.882 175.366 176.300 -0.087 0.000 1.160 790 D CA 0.981 54.870 54.000 -0.185 0.000 0.645 790 D CB -0.553 40.204 40.800 -0.071 0.000 1.039 790 D HN 0.477 nan 8.370 nan 0.000 0.423 791 D N -0.222 120.109 120.400 -0.115 0.000 2.392 791 D HA 0.162 4.804 4.640 0.003 0.000 0.228 791 D C -0.076 176.162 176.300 -0.103 0.000 1.074 791 D CA -0.500 53.464 54.000 -0.060 0.000 0.838 791 D CB 0.335 41.082 40.800 -0.087 0.000 1.067 791 D HN 0.162 nan 8.370 nan 0.000 0.511 792 Y N 1.595 121.949 120.300 0.089 0.000 2.584 792 Y HA 0.092 4.643 4.550 0.003 0.000 0.254 792 Y C 1.443 177.409 175.900 0.111 0.000 1.177 792 Y CA -0.491 57.687 58.100 0.131 0.000 1.216 792 Y CB 0.498 39.068 38.460 0.182 0.000 1.172 792 Y HN 0.305 nan 8.280 nan 0.000 0.529 793 S N 0.659 116.452 115.700 0.155 0.000 2.626 793 S HA 0.109 4.581 4.470 0.003 0.000 0.257 793 S C -1.578 173.040 174.600 0.029 0.000 1.288 793 S CA -0.980 57.278 58.200 0.097 0.000 0.980 793 S CB 0.757 64.000 63.200 0.073 0.000 0.975 793 S HN 0.038 nan 8.310 nan 0.000 0.577 794 P HA -0.058 nan 4.420 nan 0.000 0.219 794 P C 1.417 178.768 177.300 0.086 0.000 1.154 794 P CA 0.994 64.101 63.100 0.011 0.000 0.826 794 P CB -0.151 31.505 31.700 -0.074 0.000 0.795 795 E N 0.615 120.895 120.200 0.134 0.000 2.085 795 E HA -0.169 4.183 4.350 0.003 0.000 0.194 795 E C 2.098 178.786 176.600 0.147 0.000 0.994 795 E CA 1.473 58.005 56.400 0.219 0.000 0.801 795 E CB -1.425 28.431 29.700 0.259 0.000 0.743 795 E HN 0.186 nan 8.360 nan 0.000 0.453 796 S N 0.724 116.348 115.700 -0.126 0.000 2.402 796 S HA -0.074 4.398 4.470 0.003 0.000 0.229 796 S C 1.625 175.985 174.600 -0.400 0.000 1.021 796 S CA 0.932 58.815 58.200 -0.528 0.000 0.974 796 S CB 0.000 62.815 63.200 -0.642 0.000 0.800 796 S HN 0.210 nan 8.310 nan 0.000 0.484 797 K N -0.209 119.993 120.400 -0.330 0.000 2.373 797 K HA 0.285 4.607 4.320 0.003 0.000 0.202 797 K C 0.738 177.066 176.600 -0.452 0.000 1.025 797 K CA 0.561 56.617 56.287 -0.385 0.000 1.115 797 K CB 0.913 33.283 32.500 -0.217 0.000 0.858 797 K HN 0.432 nan 8.250 nan 0.000 0.525 798 G N 1.798 110.251 108.800 -0.579 0.000 2.147 798 G HA2 -0.198 3.763 3.960 0.003 0.000 0.128 798 G HA3 -0.198 3.763 3.960 0.003 0.000 0.128 798 G C -0.717 174.153 174.900 -0.051 0.000 1.026 798 G CA -0.770 43.991 45.100 -0.565 0.000 0.693 798 G HN 0.230 nan 8.290 nan 0.000 0.499 799 F N 2.676 122.573 119.950 -0.088 0.000 2.334 799 F HA 0.561 5.090 4.527 0.003 0.000 0.365 799 F C 0.676 176.518 175.800 0.070 0.000 1.124 799 F CA -1.026 56.975 58.000 0.002 0.000 1.166 799 F CB 1.085 40.083 39.000 -0.004 0.000 1.355 799 F HN 0.014 nan 8.300 nan 0.000 0.532 800 V N 6.859 126.527 119.914 -0.410 0.000 2.400 800 V HA -0.034 4.088 4.120 0.003 0.000 0.263 800 V C 1.356 177.076 176.094 -0.623 0.000 1.026 800 V CA 0.250 62.340 62.300 -0.351 0.000 1.077 800 V CB 0.353 32.007 31.823 -0.282 0.000 1.054 800 V HN 0.742 nan 8.190 nan 0.000 0.477 801 E N 3.378 123.378 120.200 -0.332 0.000 2.371 801 E HA -0.012 4.340 4.350 0.003 0.000 0.194 801 E C 0.530 177.043 176.600 -0.144 0.000 1.012 801 E CA 0.216 56.493 56.400 -0.205 0.000 0.860 801 E CB 0.386 30.125 29.700 0.065 0.000 0.811 801 E HN 0.691 nan 8.360 nan 0.000 0.502 802 N N 0.476 119.077 118.700 -0.165 0.000 2.472 802 N HA 0.112 4.854 4.740 0.003 0.000 0.289 802 N C -0.268 175.131 175.510 -0.184 0.000 1.156 802 N CA -0.137 52.834 53.050 -0.131 0.000 0.940 802 N CB 1.746 40.171 38.487 -0.104 0.000 1.200 802 N HN -0.064 nan 8.380 nan 0.000 0.511 803 S N 0.136 115.763 115.700 -0.123 0.000 2.634 803 S HA 0.197 4.668 4.470 0.003 0.000 0.261 803 S C 1.025 175.548 174.600 -0.128 0.000 1.271 803 S CA -0.329 57.812 58.200 -0.097 0.000 0.985 803 S CB 0.388 63.574 63.200 -0.024 0.000 0.968 803 S HN 0.522 nan 8.310 nan 0.000 0.568 804 Y N -0.134 120.114 120.300 -0.086 0.000 2.220 804 Y HA 0.003 4.554 4.550 0.003 0.000 0.291 804 Y C 2.398 178.258 175.900 -0.067 0.000 1.129 804 Y CA 0.769 58.821 58.100 -0.081 0.000 1.161 804 Y CB -0.226 38.188 38.460 -0.078 0.000 0.997 804 Y HN 0.460 nan 8.280 nan 0.000 0.522 805 L N 0.658 121.947 121.223 0.109 0.000 2.137 805 L HA -0.291 4.051 4.340 0.003 0.000 0.213 805 L C 1.956 178.830 176.870 0.006 0.000 1.085 805 L CA 2.056 56.919 54.840 0.038 0.000 0.760 805 L CB -0.518 41.554 42.059 0.021 0.000 0.893 805 L HN 0.261 nan 8.230 nan 0.000 0.434 806 R N -0.698 119.795 120.500 -0.012 0.000 2.100 806 R HA 0.172 4.513 4.340 0.003 0.000 0.220 806 R C 0.468 176.742 176.300 -0.043 0.000 1.091 806 R CA 0.642 56.725 56.100 -0.028 0.000 0.986 806 R CB 0.033 30.311 30.300 -0.036 0.000 0.888 806 R HN 0.559 nan 8.270 nan 0.000 0.444 807 G N 0.141 108.899 108.800 -0.069 0.000 2.770 807 G HA2 -0.112 3.849 3.960 0.003 0.000 0.686 807 G HA3 -0.112 3.849 3.960 0.003 0.000 0.686 807 G C -1.344 173.479 174.900 -0.128 0.000 1.180 807 G CA -1.109 43.934 45.100 -0.095 0.000 0.767 807 G HN -0.025 nan 8.290 nan 0.000 0.646 808 L N 1.458 122.578 121.223 -0.171 0.000 2.439 808 L HA 0.694 5.035 4.340 0.003 0.000 0.261 808 L C 1.656 178.489 176.870 -0.062 0.000 1.153 808 L CA -0.056 54.699 54.840 -0.140 0.000 0.808 808 L CB 0.978 42.939 42.059 -0.164 0.000 1.126 808 L HN 0.912 nan 8.230 nan 0.000 0.460 809 T N -0.488 114.059 114.554 -0.012 0.000 2.918 809 T HA 0.330 4.681 4.350 0.003 0.000 0.283 809 T C -1.853 172.870 174.700 0.037 0.000 1.001 809 T CA -1.602 60.502 62.100 0.006 0.000 1.041 809 T CB 0.854 69.730 68.868 0.013 0.000 1.028 809 T HN 0.430 nan 8.240 nan 0.000 0.511 810 P HA -0.260 nan 4.420 nan 0.000 0.219 810 P C 1.378 178.638 177.300 -0.068 0.000 1.161 810 P CA 1.543 64.638 63.100 -0.007 0.000 0.909 810 P CB 0.115 31.739 31.700 -0.127 0.000 0.793 811 Q N -0.262 119.438 119.800 -0.167 0.000 2.016 811 Q HA -0.143 4.198 4.340 0.003 0.000 0.200 811 Q C 2.332 178.011 176.000 -0.536 0.000 0.978 811 Q CA 1.411 56.969 55.803 -0.408 0.000 0.833 811 Q CB -0.754 27.877 28.738 -0.178 0.000 0.895 811 Q HN 0.401 nan 8.270 nan 0.000 0.427 812 E N 0.049 120.239 120.200 -0.016 0.000 2.086 812 E HA -0.252 4.100 4.350 0.003 0.000 0.205 812 E C 1.796 178.529 176.600 0.222 0.000 1.027 812 E CA 1.316 57.843 56.400 0.212 0.000 0.830 812 E CB -0.385 29.394 29.700 0.131 0.000 0.751 812 E HN 0.240 nan 8.360 nan 0.000 0.456 813 F N 1.309 121.251 119.950 -0.013 0.000 2.043 813 F HA -0.249 4.280 4.527 0.002 0.000 0.297 813 F C 2.194 178.019 175.800 0.042 0.000 1.121 813 F CA 1.393 59.413 58.000 0.034 0.000 1.199 813 F CB -1.028 37.986 39.000 0.022 0.000 0.968 813 F HN -0.034 nan 8.300 nan 0.000 0.478 814 F N 0.212 120.045 119.950 -0.194 0.000 2.126 814 F HA -0.232 4.296 4.527 0.002 0.000 0.299 814 F C 2.239 177.980 175.800 -0.098 0.000 1.096 814 F CA 1.583 59.383 58.000 -0.333 0.000 1.255 814 F CB -0.991 37.816 39.000 -0.322 0.000 0.997 814 F HN 0.016 nan 8.300 nan 0.000 0.479 815 F N -0.956 119.046 119.950 0.086 0.000 2.046 815 F HA -0.306 4.223 4.527 0.003 0.000 0.297 815 F C 2.711 178.508 175.800 -0.005 0.000 1.123 815 F CA 1.463 59.477 58.000 0.023 0.000 1.199 815 F CB -1.075 38.001 39.000 0.126 0.000 0.972 815 F HN 0.056 nan 8.300 nan 0.000 0.474 816 H N 0.689 119.886 119.070 0.211 0.000 2.422 816 H HA -0.131 4.426 4.556 0.003 0.000 0.298 816 H C 1.938 177.303 175.328 0.062 0.000 1.098 816 H CA 1.146 57.276 56.048 0.137 0.000 1.315 816 H CB -0.452 29.410 29.762 0.166 0.000 1.382 816 H HN 0.188 nan 8.280 nan 0.000 0.523 817 A N 0.516 123.227 122.820 -0.180 0.000 1.908 817 A HA -0.186 4.135 4.320 0.003 0.000 0.218 817 A C 2.541 179.913 177.584 -0.354 0.000 1.181 817 A CA 1.905 53.714 52.037 -0.380 0.000 0.627 817 A CB -0.722 17.906 19.000 -0.620 0.000 0.818 817 A HN 0.536 nan 8.150 nan 0.000 0.445 818 M N -0.338 119.038 119.600 -0.374 0.000 2.296 818 M HA -0.032 4.449 4.480 0.003 0.000 0.265 818 M C 2.005 178.243 176.300 -0.104 0.000 1.064 818 M CA 0.891 56.034 55.300 -0.261 0.000 1.109 818 M CB -0.465 32.014 32.600 -0.202 0.000 1.396 818 M HN 0.522 nan 8.290 nan 0.000 0.430 819 G N 0.056 108.838 108.800 -0.030 0.000 2.630 819 G HA2 0.018 3.979 3.960 0.003 0.000 0.195 819 G HA3 0.018 3.979 3.960 0.003 0.000 0.195 819 G C 1.361 176.269 174.900 0.013 0.000 1.493 819 G CA 0.612 45.740 45.100 0.046 0.000 0.890 819 G HN 0.447 nan 8.290 nan 0.000 0.475 820 G N 0.653 109.478 108.800 0.042 0.000 2.927 820 G HA2 -0.450 3.512 3.960 0.003 0.000 0.229 820 G HA3 -0.450 3.512 3.960 0.003 0.000 0.229 820 G C 1.864 176.751 174.900 -0.023 0.000 1.102 820 G CA 1.999 47.106 45.100 0.012 0.000 0.742 820 G HN 0.589 nan 8.290 nan 0.000 0.652 821 R N 0.860 121.321 120.500 -0.064 0.000 2.226 821 R HA -0.089 4.252 4.340 0.003 0.000 0.246 821 R C 2.283 178.563 176.300 -0.033 0.000 1.161 821 R CA 2.080 58.144 56.100 -0.061 0.000 0.997 821 R CB -0.407 29.835 30.300 -0.097 0.000 0.870 821 R HN 0.659 nan 8.270 nan 0.000 0.465 822 E N -1.616 118.573 120.200 -0.020 0.000 2.086 822 E HA -0.033 4.318 4.350 0.003 0.000 0.190 822 E C 1.804 178.406 176.600 0.002 0.000 0.975 822 E CA 0.881 57.278 56.400 -0.006 0.000 0.813 822 E CB -0.294 29.407 29.700 0.001 0.000 0.768 822 E HN 0.488 nan 8.360 nan 0.000 0.457 823 G N 1.473 110.279 108.800 0.010 0.000 2.446 823 G HA2 -0.272 3.689 3.960 0.003 0.000 0.217 823 G HA3 -0.272 3.689 3.960 0.003 0.000 0.217 823 G C 1.531 176.435 174.900 0.007 0.000 1.168 823 G CA 0.911 46.020 45.100 0.015 0.000 0.771 823 G HN 0.210 nan 8.290 nan 0.000 0.551 824 L N 0.651 121.875 121.223 0.002 0.000 2.187 824 L HA -0.071 4.270 4.340 0.003 0.000 0.213 824 L C 2.752 179.620 176.870 -0.003 0.000 1.100 824 L CA 0.348 55.187 54.840 -0.002 0.000 0.765 824 L CB -0.404 41.651 42.059 -0.007 0.000 0.904 824 L HN 0.177 nan 8.230 nan 0.000 0.437 825 I N -0.055 120.512 120.570 -0.004 0.000 2.252 825 I HA -0.215 3.957 4.170 0.003 0.000 0.245 825 I C 2.060 178.176 176.117 -0.001 0.000 1.102 825 I CA 1.312 62.609 61.300 -0.004 0.000 1.385 825 I CB -1.056 36.941 38.000 -0.005 0.000 1.064 825 I HN 0.295 nan 8.210 nan 0.000 0.414 826 D N 1.152 121.553 120.400 0.002 0.000 2.075 826 D HA -0.168 4.474 4.640 0.003 0.000 0.196 826 D C 2.194 178.496 176.300 0.003 0.000 0.985 826 D CA 2.250 56.253 54.000 0.005 0.000 0.834 826 D CB -1.040 39.764 40.800 0.008 0.000 0.987 826 D HN 0.333 nan 8.370 nan 0.000 0.452 827 T N -1.160 113.396 114.554 0.003 0.000 2.946 827 T HA -0.086 4.266 4.350 0.003 0.000 0.270 827 T C 1.720 176.419 174.700 -0.002 0.000 1.129 827 T CA 1.463 63.563 62.100 0.000 0.000 1.103 827 T CB -0.274 68.594 68.868 -0.000 0.000 0.839 827 T HN 0.163 nan 8.240 nan 0.000 0.544 828 A N -0.081 122.738 122.820 -0.002 0.000 1.911 828 A HA 0.448 4.770 4.320 0.003 0.000 0.212 828 A C 2.402 179.984 177.584 -0.003 0.000 1.189 828 A CA 0.868 52.903 52.037 -0.004 0.000 0.639 828 A CB -0.114 18.883 19.000 -0.005 0.000 0.839 828 A HN 0.440 nan 8.150 nan 0.000 0.449 829 V N -0.816 119.097 119.914 -0.001 0.000 3.013 829 V HA 0.045 4.166 4.120 0.003 0.000 0.238 829 V C 2.044 178.142 176.094 0.006 0.000 1.161 829 V CA 1.290 63.590 62.300 0.000 0.000 1.170 829 V CB -0.073 31.749 31.823 -0.002 0.000 0.917 829 V HN 0.553 nan 8.190 nan 0.000 0.478 830 K N -0.020 120.385 120.400 0.008 0.000 2.589 830 K HA -0.169 4.153 4.320 0.003 0.000 0.195 830 K C 1.735 178.342 176.600 0.011 0.000 1.040 830 K CA 1.511 57.806 56.287 0.012 0.000 0.950 830 K CB -0.102 32.404 32.500 0.011 0.000 0.781 830 K HN 0.429 nan 8.250 nan 0.000 0.486 831 T N -1.783 112.775 114.554 0.008 0.000 3.015 831 T HA 0.252 4.603 4.350 0.003 0.000 0.250 831 T C 1.321 176.029 174.700 0.014 0.000 1.057 831 T CA 0.569 62.673 62.100 0.005 0.000 1.066 831 T CB 0.155 69.022 68.868 -0.003 0.000 0.959 831 T HN 0.317 nan 8.240 nan 0.000 0.488 832 A N 0.809 123.639 122.820 0.017 0.000 1.975 832 A HA 0.168 4.490 4.320 0.003 0.000 0.215 832 A C 2.060 179.679 177.584 0.059 0.000 1.170 832 A CA 0.935 52.988 52.037 0.027 0.000 0.656 832 A CB -0.329 18.674 19.000 0.005 0.000 0.821 832 A HN 0.532 nan 8.150 nan 0.000 0.449 833 E N -0.546 119.686 120.200 0.052 0.000 2.077 833 E HA -0.139 4.213 4.350 0.003 0.000 0.193 833 E C 1.928 178.587 176.600 0.100 0.000 0.989 833 E CA 1.642 58.093 56.400 0.085 0.000 0.800 833 E CB -0.153 29.582 29.700 0.060 0.000 0.746 833 E HN 0.567 nan 8.360 nan 0.000 0.452 834 T N -0.247 114.340 114.554 0.056 0.000 2.737 834 T HA -0.110 4.242 4.350 0.003 0.000 0.265 834 T C 1.821 176.545 174.700 0.040 0.000 1.038 834 T CA 1.181 63.301 62.100 0.034 0.000 1.144 834 T CB -0.485 68.387 68.868 0.008 0.000 0.866 834 T HN 0.353 nan 8.240 nan 0.000 0.434 835 G N -0.410 108.421 108.800 0.052 0.000 2.462 835 G HA2 -0.236 3.725 3.960 0.003 0.000 0.220 835 G HA3 -0.236 3.725 3.960 0.003 0.000 0.220 835 G C 1.348 176.318 174.900 0.117 0.000 1.121 835 G CA 0.688 45.822 45.100 0.056 0.000 0.758 835 G HN 0.529 nan 8.290 nan 0.000 0.559 836 Y N 0.632 120.933 120.300 0.003 0.000 2.262 836 Y HA 0.118 4.669 4.550 0.002 0.000 0.295 836 Y C 2.521 178.445 175.900 0.039 0.000 1.121 836 Y CA -0.132 57.981 58.100 0.021 0.000 1.144 836 Y CB -0.153 38.317 38.460 0.017 0.000 1.043 836 Y HN 0.035 nan 8.280 nan 0.000 0.528 837 I N 1.123 121.693 120.570 -0.001 0.000 2.093 837 I HA -0.428 3.744 4.170 0.003 0.000 0.239 837 I C 2.567 178.603 176.117 -0.136 0.000 1.026 837 I CA 1.835 63.080 61.300 -0.092 0.000 1.295 837 I CB -1.528 36.461 38.000 -0.018 0.000 1.007 837 I HN 0.384 nan 8.210 nan 0.000 0.401 838 Q N 0.443 120.194 119.800 -0.082 0.000 2.045 838 Q HA -0.241 4.101 4.340 0.003 0.000 0.206 838 Q C 2.472 178.418 176.000 -0.090 0.000 0.991 838 Q CA 1.827 57.577 55.803 -0.088 0.000 0.851 838 Q CB -0.260 28.436 28.738 -0.071 0.000 0.911 838 Q HN 0.431 nan 8.270 nan 0.000 0.418 839 R N -0.193 120.274 120.500 -0.056 0.000 2.119 839 R HA -0.196 4.145 4.340 0.003 0.000 0.246 839 R C 2.478 178.792 176.300 0.023 0.000 1.146 839 R CA 1.981 58.083 56.100 0.003 0.000 0.962 839 R CB -0.090 30.255 30.300 0.076 0.000 0.863 839 R HN 0.241 nan 8.270 nan 0.000 0.442 840 R N 0.147 120.598 120.500 -0.082 0.000 2.061 840 R HA -0.067 4.274 4.340 0.003 0.000 0.230 840 R C 2.461 178.599 176.300 -0.269 0.000 1.140 840 R CA 1.242 57.302 56.100 -0.067 0.000 0.940 840 R CB -0.561 29.660 30.300 -0.131 0.000 0.839 840 R HN 0.169 nan 8.270 nan 0.000 0.429 841 L N 0.448 121.526 121.223 -0.241 0.000 2.064 841 L HA -0.309 4.033 4.340 0.003 0.000 0.216 841 L C 2.388 179.104 176.870 -0.257 0.000 1.077 841 L CA 1.400 56.089 54.840 -0.253 0.000 0.766 841 L CB -0.499 41.455 42.059 -0.174 0.000 0.890 841 L HN 0.133 nan 8.230 nan 0.000 0.435 842 V N -0.782 119.018 119.914 -0.190 0.000 2.244 842 V HA -0.226 3.896 4.120 0.003 0.000 0.244 842 V C 2.403 178.384 176.094 -0.189 0.000 1.042 842 V CA 1.483 63.688 62.300 -0.158 0.000 1.006 842 V CB -0.390 31.374 31.823 -0.098 0.000 0.641 842 V HN 0.331 nan 8.190 nan 0.000 0.446 843 K N 0.109 120.400 120.400 -0.182 0.000 2.442 843 K HA 0.003 4.324 4.320 0.003 0.000 0.198 843 K C 1.824 178.171 176.600 -0.421 0.000 1.044 843 K CA 1.190 57.354 56.287 -0.205 0.000 0.948 843 K CB -0.417 32.017 32.500 -0.110 0.000 0.762 843 K HN 0.508 nan 8.250 nan 0.000 0.472 844 A N -0.290 122.099 122.820 -0.719 0.000 2.115 844 A HA 0.131 4.453 4.320 0.003 0.000 0.211 844 A C 1.955 179.206 177.584 -0.555 0.000 1.169 844 A CA 0.230 51.574 52.037 -1.154 0.000 0.787 844 A CB 0.114 18.094 19.000 -1.699 0.000 0.858 844 A HN 0.136 nan 8.150 nan 0.000 0.474 845 L N -2.111 118.901 121.223 -0.352 0.000 2.347 845 L HA 0.122 4.464 4.340 0.003 0.000 0.196 845 L C 1.685 178.470 176.870 -0.142 0.000 1.072 845 L CA 0.889 55.600 54.840 -0.214 0.000 0.817 845 L CB -0.595 41.362 42.059 -0.169 0.000 1.029 845 L HN 0.568 nan 8.230 nan 0.000 0.478 846 E N 1.221 121.343 120.200 -0.130 0.000 3.521 846 E HA -0.408 3.943 4.350 0.003 0.000 0.476 846 E C 0.809 177.369 176.600 -0.067 0.000 1.646 846 E CA 2.357 58.703 56.400 -0.090 0.000 1.182 846 E CB -0.889 28.764 29.700 -0.078 0.000 1.215 846 E HN 0.681 nan 8.360 nan 0.000 0.404 847 D N 1.289 121.658 120.400 -0.051 0.000 2.371 847 D HA -0.066 4.575 4.640 0.003 0.000 0.234 847 D C 0.659 176.943 176.300 -0.027 0.000 1.049 847 D CA 0.375 54.353 54.000 -0.037 0.000 0.907 847 D CB -0.456 40.336 40.800 -0.015 0.000 0.891 847 D HN 0.263 nan 8.370 nan 0.000 0.531 848 I N 1.769 122.320 120.570 -0.031 0.000 2.680 848 I HA 0.030 4.201 4.170 0.003 0.000 0.286 848 I C 0.492 176.598 176.117 -0.018 0.000 1.144 848 I CA 0.383 61.677 61.300 -0.010 0.000 1.370 848 I CB -0.809 37.184 38.000 -0.012 0.000 1.420 848 I HN 0.123 nan 8.210 nan 0.000 0.540 849 M N 5.469 125.049 119.600 -0.033 0.000 2.149 849 M HA 0.436 4.917 4.480 0.003 0.000 0.273 849 M C -0.748 175.468 176.300 -0.140 0.000 0.972 849 M CA -0.725 54.509 55.300 -0.110 0.000 0.984 849 M CB 1.533 34.025 32.600 -0.181 0.000 1.699 849 M HN -0.025 nan 8.290 nan 0.000 0.462 850 V N 4.582 124.449 119.914 -0.079 0.000 2.699 850 V HA -0.120 4.001 4.120 0.003 0.000 0.296 850 V C 0.859 176.879 176.094 -0.123 0.000 1.030 850 V CA 0.985 63.258 62.300 -0.044 0.000 1.219 850 V CB -1.486 30.279 31.823 -0.097 0.000 0.848 850 V HN 0.828 nan 8.190 nan 0.000 0.468 851 H N 3.694 122.743 119.070 -0.035 0.000 2.490 851 H HA 0.163 4.720 4.556 0.003 0.000 0.354 851 H C 0.625 175.927 175.328 -0.043 0.000 1.365 851 H CA -0.242 55.789 56.048 -0.028 0.000 1.413 851 H CB 0.709 30.500 29.762 0.047 0.000 1.631 851 H HN 0.593 nan 8.280 nan 0.000 0.607 852 Y N 0.518 120.933 120.300 0.192 0.000 2.483 852 Y HA -0.182 4.369 4.550 0.002 0.000 0.291 852 Y C 1.966 177.920 175.900 0.090 0.000 1.143 852 Y CA 1.157 59.322 58.100 0.109 0.000 1.289 852 Y CB 0.080 38.598 38.460 0.097 0.000 0.983 852 Y HN 0.614 nan 8.280 nan 0.000 0.556 853 D N -1.597 118.943 120.400 0.234 0.000 2.349 853 D HA -0.137 4.505 4.640 0.003 0.000 0.224 853 D C 0.804 177.186 176.300 0.137 0.000 1.029 853 D CA 0.543 54.639 54.000 0.160 0.000 0.879 853 D CB -0.488 40.389 40.800 0.128 0.000 0.906 853 D HN 0.265 nan 8.370 nan 0.000 0.528 854 N N -1.214 117.562 118.700 0.127 0.000 2.936 854 N HA -0.187 4.554 4.740 0.003 0.000 0.236 854 N C -0.714 174.878 175.510 0.137 0.000 0.930 854 N CA 1.211 54.327 53.050 0.110 0.000 0.966 854 N CB -1.471 37.080 38.487 0.107 0.000 1.090 854 N HN 0.319 nan 8.380 nan 0.000 0.592 855 T N 0.991 115.631 114.554 0.143 0.000 2.832 855 T HA 0.258 4.610 4.350 0.003 0.000 0.296 855 T C -0.112 174.657 174.700 0.116 0.000 0.968 855 T CA 0.417 62.592 62.100 0.125 0.000 1.107 855 T CB 0.674 69.611 68.868 0.115 0.000 0.916 855 T HN 0.077 nan 8.240 nan 0.000 0.517 856 T N 7.508 122.109 114.554 0.079 0.000 2.728 856 T HA 0.459 4.810 4.350 0.003 0.000 0.296 856 T C 0.420 175.151 174.700 0.051 0.000 0.940 856 T CA -0.550 61.609 62.100 0.099 0.000 1.013 856 T CB 0.302 69.234 68.868 0.107 0.000 0.912 856 T HN 0.640 nan 8.240 nan 0.000 0.484 857 R N 2.996 123.578 120.500 0.136 0.000 3.288 857 R HA 0.604 4.945 4.340 0.003 0.000 0.245 857 R C -0.296 176.062 176.300 0.097 0.000 1.436 857 R CA -1.197 54.947 56.100 0.073 0.000 1.036 857 R CB 1.089 31.393 30.300 0.008 0.000 1.500 857 R HN 0.659 nan 8.270 nan 0.000 0.493 858 N N -1.237 117.506 118.700 0.072 0.000 3.283 858 N HA 0.153 4.894 4.740 0.003 0.000 0.338 858 N C 0.366 175.923 175.510 0.078 0.000 1.517 858 N CA -0.427 52.659 53.050 0.060 0.000 0.733 858 N CB 1.547 40.044 38.487 0.016 0.000 1.797 858 N HN 0.504 nan 8.380 nan 0.000 0.637 859 S N -0.044 115.686 115.700 0.050 0.000 2.399 859 S HA -0.093 4.378 4.470 0.003 0.000 0.231 859 S C 1.834 176.456 174.600 0.036 0.000 1.022 859 S CA 0.725 58.955 58.200 0.049 0.000 0.983 859 S CB -0.855 62.365 63.200 0.035 0.000 0.803 859 S HN 0.511 nan 8.310 nan 0.000 0.480 860 L N 1.010 122.247 121.223 0.023 0.000 2.217 860 L HA 0.222 4.563 4.340 0.003 0.000 0.211 860 L C 1.928 178.796 176.870 -0.003 0.000 1.107 860 L CA 0.614 55.460 54.840 0.010 0.000 0.783 860 L CB -1.130 40.933 42.059 0.007 0.000 0.919 860 L HN 0.605 nan 8.230 nan 0.000 0.442 861 G N 0.394 109.188 108.800 -0.010 0.000 2.165 861 G HA2 -0.214 3.748 3.960 0.003 0.000 0.226 861 G HA3 -0.214 3.748 3.960 0.003 0.000 0.226 861 G C -0.460 174.406 174.900 -0.056 0.000 1.035 861 G CA -0.354 44.712 45.100 -0.057 0.000 0.744 861 G HN 0.347 nan 8.290 nan 0.000 0.501 862 N N 0.032 118.709 118.700 -0.039 0.000 2.426 862 N HA 0.498 5.239 4.740 0.003 0.000 0.275 862 N C 0.529 175.986 175.510 -0.088 0.000 1.019 862 N CA -0.444 52.576 53.050 -0.049 0.000 0.941 862 N CB 1.934 40.403 38.487 -0.029 0.000 1.123 862 N HN 0.141 nan 8.380 nan 0.000 0.486 863 V N 3.015 122.841 119.914 -0.146 0.000 2.763 863 V HA -0.001 4.121 4.120 0.003 0.000 0.306 863 V C 1.337 177.263 176.094 -0.279 0.000 1.059 863 V CA 0.343 62.470 62.300 -0.288 0.000 1.138 863 V CB 0.185 31.649 31.823 -0.598 0.000 0.940 863 V HN 0.573 nan 8.190 nan 0.000 0.489 864 I N 1.887 122.303 120.570 -0.257 0.000 3.812 864 I HA 0.246 4.418 4.170 0.003 0.000 0.292 864 I C 0.545 176.523 176.117 -0.232 0.000 1.206 864 I CA 0.641 61.824 61.300 -0.195 0.000 1.370 864 I CB -0.314 37.623 38.000 -0.106 0.000 1.328 864 I HN 0.576 nan 8.210 nan 0.000 0.453 865 Q N 0.361 120.024 119.800 -0.228 0.000 2.274 865 Q HA 0.389 4.730 4.340 0.003 0.000 0.268 865 Q C -0.331 175.579 176.000 -0.150 0.000 1.015 865 Q CA -0.457 55.251 55.803 -0.160 0.000 0.775 865 Q CB 2.470 31.167 28.738 -0.068 0.000 1.256 865 Q HN 0.050 nan 8.270 nan 0.000 0.442 866 F N 1.439 121.410 119.950 0.034 0.000 2.546 866 F HA 0.037 4.566 4.527 0.003 0.000 0.298 866 F C 0.729 176.565 175.800 0.060 0.000 1.120 866 F CA 0.686 58.712 58.000 0.043 0.000 1.456 866 F CB 0.284 39.304 39.000 0.032 0.000 1.088 866 F HN 0.349 nan 8.300 nan 0.000 0.572 867 I N -2.229 118.468 120.570 0.212 0.000 2.627 867 I HA 0.140 4.312 4.170 0.003 0.000 0.288 867 I C -0.908 175.301 176.117 0.154 0.000 1.202 867 I CA -1.348 60.056 61.300 0.174 0.000 1.050 867 I CB 0.813 38.908 38.000 0.158 0.000 1.264 867 I HN -0.236 nan 8.210 nan 0.000 0.429 868 Y N 5.788 126.122 120.300 0.056 0.000 2.895 868 Y HA 0.221 4.773 4.550 0.003 0.000 0.334 868 Y C 1.507 177.435 175.900 0.048 0.000 1.261 868 Y CA 1.748 59.870 58.100 0.036 0.000 1.560 868 Y CB 0.604 39.077 38.460 0.021 0.000 1.253 868 Y HN 0.948 nan 8.280 nan 0.000 0.582 869 G N 4.744 113.174 108.800 -0.618 0.000 2.225 869 G HA2 -0.357 3.604 3.960 0.003 0.000 0.267 869 G HA3 -0.357 3.604 3.960 0.003 0.000 0.267 869 G C 0.216 175.099 174.900 -0.028 0.000 1.024 869 G CA 0.480 45.334 45.100 -0.411 0.000 0.784 869 G HN 1.023 nan 8.290 nan 0.000 0.507 870 E N -1.200 119.002 120.200 0.004 0.000 2.805 870 E HA -0.308 4.044 4.350 0.003 0.000 0.266 870 E C 0.630 177.282 176.600 0.086 0.000 1.092 870 E CA 1.243 57.686 56.400 0.071 0.000 0.781 870 E CB -1.130 28.626 29.700 0.093 0.000 1.379 870 E HN 1.107 nan 8.360 nan 0.000 0.433 871 D N -1.957 118.504 120.400 0.101 0.000 2.738 871 D HA 0.055 4.697 4.640 0.003 0.000 0.345 871 D C 0.765 177.141 176.300 0.126 0.000 1.465 871 D CA 0.283 54.352 54.000 0.115 0.000 0.935 871 D CB -0.791 40.070 40.800 0.102 0.000 1.543 871 D HN 0.328 nan 8.370 nan 0.000 0.399 872 G N 1.486 110.385 108.800 0.165 0.000 2.390 872 G HA2 -0.260 3.701 3.960 0.003 0.000 0.299 872 G HA3 -0.260 3.701 3.960 0.003 0.000 0.299 872 G C -0.134 174.833 174.900 0.113 0.000 1.002 872 G CA 1.077 46.282 45.100 0.176 0.000 0.979 872 G HN 0.428 nan 8.290 nan 0.000 0.513 873 M N 0.213 119.899 119.600 0.143 0.000 2.393 873 M HA 0.470 4.951 4.480 0.003 0.000 0.316 873 M C -0.339 176.013 176.300 0.085 0.000 1.087 873 M CA -1.388 53.927 55.300 0.025 0.000 0.937 873 M CB 1.708 34.283 32.600 -0.042 0.000 1.668 873 M HN 0.140 nan 8.290 nan 0.000 0.438 874 D N 2.641 123.037 120.400 -0.006 0.000 2.390 874 D HA 0.284 4.925 4.640 0.003 0.000 0.249 874 D C 0.789 177.153 176.300 0.106 0.000 1.144 874 D CA 0.385 54.398 54.000 0.023 0.000 0.880 874 D CB 1.367 42.180 40.800 0.021 0.000 1.182 874 D HN 0.752 nan 8.370 nan 0.000 0.451 875 A N 4.077 126.966 122.820 0.115 0.000 2.093 875 A HA -0.164 4.158 4.320 0.003 0.000 0.222 875 A C 2.057 179.676 177.584 0.059 0.000 1.162 875 A CA 2.206 54.304 52.037 0.101 0.000 0.655 875 A CB -0.540 18.531 19.000 0.119 0.000 0.805 875 A HN 0.673 nan 8.150 nan 0.000 0.461 876 A N -1.270 121.568 122.820 0.030 0.000 1.897 876 A HA -0.134 4.188 4.320 0.003 0.000 0.215 876 A C 1.886 179.368 177.584 -0.170 0.000 1.181 876 A CA 1.295 53.255 52.037 -0.128 0.000 0.620 876 A CB -0.745 18.087 19.000 -0.280 0.000 0.821 876 A HN 0.715 nan 8.150 nan 0.000 0.443 877 H N -0.978 118.067 119.070 -0.041 0.000 2.539 877 H HA 0.259 4.817 4.556 0.003 0.000 0.267 877 H C -0.056 175.265 175.328 -0.012 0.000 0.982 877 H CA 0.081 56.106 56.048 -0.040 0.000 1.146 877 H CB 0.036 29.741 29.762 -0.096 0.000 1.382 877 H HN 0.396 nan 8.280 nan 0.000 0.577 878 I N 1.988 122.618 120.570 0.099 0.000 2.566 878 I HA 0.176 4.348 4.170 0.003 0.000 0.303 878 I C -0.061 176.138 176.117 0.136 0.000 0.983 878 I CA -0.416 60.937 61.300 0.088 0.000 1.235 878 I CB 1.462 39.517 38.000 0.092 0.000 1.386 878 I HN 0.144 nan 8.210 nan 0.000 0.494 879 E N 3.043 123.309 120.200 0.111 0.000 2.375 879 E HA 0.279 4.631 4.350 0.003 0.000 0.280 879 E C -1.619 175.028 176.600 0.078 0.000 0.972 879 E CA -1.299 55.157 56.400 0.093 0.000 0.782 879 E CB 1.296 30.963 29.700 -0.055 0.000 1.229 879 E HN 0.527 nan 8.360 nan 0.000 0.439 880 K N 2.194 122.638 120.400 0.073 0.000 2.351 880 K HA 0.095 4.416 4.320 0.003 0.000 0.287 880 K C -0.548 176.066 176.600 0.023 0.000 1.068 880 K CA 0.040 56.358 56.287 0.053 0.000 0.998 880 K CB 0.290 32.798 32.500 0.012 0.000 0.968 880 K HN 0.419 nan 8.250 nan 0.000 0.464 881 Q N 1.819 121.652 119.800 0.054 0.000 2.301 881 Q HA 0.213 4.555 4.340 0.003 0.000 0.267 881 Q C -0.650 175.374 176.000 0.039 0.000 1.035 881 Q CA -1.086 54.749 55.803 0.054 0.000 0.856 881 Q CB 2.059 30.855 28.738 0.097 0.000 1.337 881 Q HN 0.812 nan 8.270 nan 0.000 0.450 882 S N 1.450 117.168 115.700 0.030 0.000 2.475 882 S HA 0.382 4.854 4.470 0.003 0.000 0.281 882 S C -0.160 174.465 174.600 0.042 0.000 1.198 882 S CA -0.752 57.456 58.200 0.013 0.000 1.063 882 S CB 0.131 63.334 63.200 0.005 0.000 0.972 882 S HN 0.535 nan 8.310 nan 0.000 0.486 883 L N 3.721 124.964 121.223 0.034 0.000 2.422 883 L HA 0.276 4.618 4.340 0.003 0.000 0.256 883 L C 0.270 177.165 176.870 0.042 0.000 1.202 883 L CA -0.606 54.259 54.840 0.042 0.000 1.119 883 L CB -0.445 41.624 42.059 0.017 0.000 1.383 883 L HN 0.742 nan 8.230 nan 0.000 0.411 884 D N -1.693 118.738 120.400 0.052 0.000 2.346 884 D HA -0.081 4.560 4.640 0.003 0.000 0.248 884 D C 1.239 177.544 176.300 0.008 0.000 1.173 884 D CA -0.002 54.025 54.000 0.044 0.000 0.878 884 D CB -0.195 40.638 40.800 0.055 0.000 0.919 884 D HN 0.320 nan 8.370 nan 0.000 0.513 885 T N -0.442 114.114 114.554 0.003 0.000 2.985 885 T HA -0.006 4.345 4.350 0.003 0.000 0.266 885 T C 1.800 176.549 174.700 0.082 0.000 1.076 885 T CA 0.101 62.178 62.100 -0.038 0.000 1.135 885 T CB 0.213 69.086 68.868 0.009 0.000 0.890 885 T HN 0.166 nan 8.240 nan 0.000 0.480 886 I N 1.464 122.088 120.570 0.091 0.000 2.277 886 I HA 0.103 4.274 4.170 0.003 0.000 0.243 886 I C 1.965 178.204 176.117 0.204 0.000 1.094 886 I CA 0.696 62.081 61.300 0.142 0.000 1.393 886 I CB -1.533 36.528 38.000 0.101 0.000 1.078 886 I HN 0.261 nan 8.210 nan 0.000 0.417 887 G N -0.666 108.224 108.800 0.151 0.000 2.494 887 G HA2 0.452 4.414 3.960 0.003 0.000 0.270 887 G HA3 0.452 4.414 3.960 0.003 0.000 0.270 887 G C 0.068 175.070 174.900 0.171 0.000 1.423 887 G CA 0.342 45.555 45.100 0.188 0.000 1.055 887 G HN 0.591 nan 8.290 nan 0.000 0.536 888 G N -1.807 107.080 108.800 0.145 0.000 2.731 888 G HA2 0.192 4.154 3.960 0.003 0.000 0.686 888 G HA3 0.192 4.154 3.960 0.003 0.000 0.686 888 G C 0.097 175.062 174.900 0.109 0.000 1.395 888 G CA -0.035 45.134 45.100 0.115 0.000 0.870 888 G HN 1.557 nan 8.290 nan 0.000 0.591 889 S N 0.773 116.526 115.700 0.088 0.000 2.568 889 S HA 0.260 4.732 4.470 0.003 0.000 0.282 889 S C 1.204 175.855 174.600 0.086 0.000 1.338 889 S CA 0.101 58.338 58.200 0.062 0.000 1.045 889 S CB 1.516 64.749 63.200 0.056 0.000 0.873 889 S HN 0.634 nan 8.310 nan 0.000 0.516 890 D N 1.716 122.130 120.400 0.022 0.000 2.149 890 D HA -0.157 4.484 4.640 0.003 0.000 0.198 890 D C 2.092 178.433 176.300 0.068 0.000 0.990 890 D CA 1.518 55.511 54.000 -0.011 0.000 0.839 890 D CB -0.250 40.505 40.800 -0.075 0.000 0.948 890 D HN 0.669 nan 8.370 nan 0.000 0.460 891 A N 1.460 124.320 122.820 0.066 0.000 1.841 891 A HA -0.133 4.189 4.320 0.003 0.000 0.216 891 A C 2.377 180.044 177.584 0.137 0.000 1.199 891 A CA 2.530 54.620 52.037 0.088 0.000 0.621 891 A CB -0.937 18.099 19.000 0.060 0.000 0.835 891 A HN 0.252 nan 8.150 nan 0.000 0.445 892 A N -1.833 121.063 122.820 0.127 0.000 2.070 892 A HA -0.018 4.304 4.320 0.003 0.000 0.220 892 A C 2.014 179.705 177.584 0.178 0.000 1.159 892 A CA 1.429 53.543 52.037 0.129 0.000 0.656 892 A CB -0.698 18.358 19.000 0.093 0.000 0.800 892 A HN 0.716 nan 8.150 nan 0.000 0.453 893 F N 0.251 120.225 119.950 0.039 0.000 2.113 893 F HA -0.115 4.413 4.527 0.003 0.000 0.297 893 F C 2.210 178.078 175.800 0.114 0.000 1.103 893 F CA 1.908 59.916 58.000 0.014 0.000 1.248 893 F CB -0.055 38.902 39.000 -0.071 0.000 0.999 893 F HN 0.348 nan 8.300 nan 0.000 0.475 894 E N 0.553 121.095 120.200 0.570 0.000 2.038 894 E HA -0.281 4.071 4.350 0.003 0.000 0.195 894 E C 1.971 178.759 176.600 0.314 0.000 1.000 894 E CA 1.530 58.221 56.400 0.484 0.000 0.803 894 E CB -0.071 29.786 29.700 0.263 0.000 0.750 894 E HN 0.211 nan 8.360 nan 0.000 0.448 895 K N -0.055 120.482 120.400 0.229 0.000 2.366 895 K HA -0.151 4.171 4.320 0.003 0.000 0.202 895 K C 1.963 178.654 176.600 0.152 0.000 1.045 895 K CA 1.041 57.433 56.287 0.175 0.000 0.934 895 K CB 0.049 32.626 32.500 0.128 0.000 0.746 895 K HN -0.001 nan 8.250 nan 0.000 0.470 896 R N -1.924 118.690 120.500 0.190 0.000 2.221 896 R HA 0.114 4.455 4.340 0.003 0.000 0.195 896 R C 0.763 177.180 176.300 0.196 0.000 0.956 896 R CA 0.808 57.014 56.100 0.177 0.000 1.064 896 R CB 0.532 30.960 30.300 0.213 0.000 1.049 896 R HN 0.214 nan 8.270 nan 0.000 0.534 897 Y N -0.863 119.436 120.300 -0.001 0.000 2.448 897 Y HA 0.286 4.837 4.550 0.003 0.000 0.257 897 Y C 0.280 176.369 175.900 0.315 0.000 1.089 897 Y CA -0.722 57.417 58.100 0.065 0.000 1.245 897 Y CB 0.384 38.764 38.460 -0.134 0.000 1.282 897 Y HN -0.241 nan 8.280 nan 0.000 0.529 898 R N 1.256 122.032 120.500 0.459 0.000 2.370 898 R HA 0.361 4.702 4.340 0.003 0.000 0.309 898 R C -0.812 175.519 176.300 0.051 0.000 1.059 898 R CA 0.247 56.402 56.100 0.092 0.000 0.981 898 R CB 0.208 30.423 30.300 -0.141 0.000 0.972 898 R HN -0.052 nan 8.270 nan 0.000 0.437 899 V N 5.505 125.426 119.914 0.012 0.000 2.592 899 V HA 0.121 4.242 4.120 0.003 0.000 0.278 899 V C -0.189 175.896 176.094 -0.016 0.000 1.087 899 V CA -0.622 61.684 62.300 0.010 0.000 1.282 899 V CB 0.379 32.211 31.823 0.014 0.000 1.543 899 V HN 0.778 nan 8.190 nan 0.000 0.606 900 D N 0.976 121.360 120.400 -0.026 0.000 2.458 900 D HA 0.120 4.762 4.640 0.003 0.000 0.243 900 D C 0.720 177.021 176.300 0.001 0.000 1.146 900 D CA 0.483 54.467 54.000 -0.027 0.000 0.877 900 D CB 1.732 42.521 40.800 -0.017 0.000 1.176 900 D HN 0.271 nan 8.370 nan 0.000 0.461 901 L N 2.751 123.968 121.223 -0.010 0.000 2.349 901 L HA -0.018 4.323 4.340 0.003 0.000 0.200 901 L C 1.456 178.323 176.870 -0.004 0.000 1.064 901 L CA 0.238 55.074 54.840 -0.007 0.000 0.821 901 L CB 0.029 42.081 42.059 -0.012 0.000 1.027 901 L HN 0.370 nan 8.230 nan 0.000 0.476 902 L N -1.047 120.172 121.223 -0.007 0.000 2.779 902 L HA 0.260 4.601 4.340 0.003 0.000 0.239 902 L C 0.159 177.030 176.870 0.001 0.000 1.245 902 L CA 0.411 55.248 54.840 -0.005 0.000 1.064 902 L CB -0.932 41.121 42.059 -0.010 0.000 1.350 902 L HN 0.088 nan 8.230 nan 0.000 0.455 903 N N -0.546 118.162 118.700 0.013 0.000 2.725 903 N HA 0.128 4.870 4.740 0.003 0.000 0.248 903 N C 0.632 176.165 175.510 0.039 0.000 1.402 903 N CA 0.169 53.240 53.050 0.034 0.000 0.766 903 N CB 0.473 38.994 38.487 0.057 0.000 1.223 903 N HN 0.112 nan 8.380 nan 0.000 0.515 904 T N 0.947 115.509 114.554 0.013 0.000 1.944 904 T HA -0.311 4.041 4.350 0.003 0.000 0.155 904 T C 0.766 175.454 174.700 -0.020 0.000 1.860 904 T CA 2.240 64.337 62.100 -0.004 0.000 0.978 904 T CB -0.709 68.152 68.868 -0.011 0.000 0.826 904 T HN 0.518 nan 8.240 nan 0.000 0.400 905 D N 0.885 121.258 120.400 -0.045 0.000 2.412 905 D HA -0.123 4.519 4.640 0.003 0.000 0.191 905 D C 0.973 177.149 176.300 -0.205 0.000 1.019 905 D CA 1.727 55.642 54.000 -0.142 0.000 0.866 905 D CB -0.607 40.084 40.800 -0.181 0.000 0.966 905 D HN 0.677 nan 8.370 nan 0.000 0.459 906 H N -0.904 118.153 119.070 -0.021 0.000 3.014 906 H HA 0.485 5.042 4.556 0.003 0.000 0.266 906 H C -0.549 174.762 175.328 -0.029 0.000 1.455 906 H CA 0.211 56.244 56.048 -0.025 0.000 1.402 906 H CB 0.315 30.058 29.762 -0.033 0.000 1.626 906 H HN -0.151 nan 8.280 nan 0.000 0.520 907 T N 2.657 117.236 114.554 0.042 0.000 3.486 907 T HA 0.133 4.484 4.350 0.003 0.000 0.375 907 T C -0.553 174.144 174.700 -0.005 0.000 1.459 907 T CA -1.003 61.107 62.100 0.017 0.000 1.151 907 T CB 1.031 69.903 68.868 0.006 0.000 1.336 907 T HN 0.315 nan 8.240 nan 0.000 0.477 908 L N 2.537 123.754 121.223 -0.009 0.000 2.706 908 L HA 0.073 4.415 4.340 0.003 0.000 0.282 908 L C 0.861 177.717 176.870 -0.023 0.000 1.219 908 L CA -0.067 54.760 54.840 -0.021 0.000 0.935 908 L CB -0.265 41.777 42.059 -0.029 0.000 1.204 908 L HN 0.603 nan 8.230 nan 0.000 0.491 909 D N 5.068 125.453 120.400 -0.025 0.000 2.472 909 D HA 0.025 4.666 4.640 0.003 0.000 0.237 909 D C -1.339 174.948 176.300 -0.022 0.000 1.141 909 D CA -1.178 52.808 54.000 -0.024 0.000 0.875 909 D CB 1.017 41.803 40.800 -0.023 0.000 1.192 909 D HN 0.263 nan 8.370 nan 0.000 0.450 910 P HA -0.198 nan 4.420 nan 0.000 0.218 910 P C 1.209 178.498 177.300 -0.019 0.000 1.146 910 P CA 1.459 64.547 63.100 -0.019 0.000 0.813 910 P CB -0.013 31.677 31.700 -0.017 0.000 0.778 911 S N -0.379 115.311 115.700 -0.017 0.000 2.356 911 S HA -0.160 4.311 4.470 0.003 0.000 0.223 911 S C 1.924 176.513 174.600 -0.018 0.000 1.032 911 S CA 1.291 59.483 58.200 -0.015 0.000 1.005 911 S CB -1.727 61.466 63.200 -0.011 0.000 0.867 911 S HN 0.110 nan 8.310 nan 0.000 0.449 912 L N -0.217 120.992 121.223 -0.023 0.000 2.131 912 L HA 0.178 4.520 4.340 0.003 0.000 0.210 912 L C 1.260 178.108 176.870 -0.036 0.000 1.092 912 L CA 0.559 55.381 54.840 -0.029 0.000 0.759 912 L CB -0.600 41.438 42.059 -0.035 0.000 0.903 912 L HN 0.300 nan 8.230 nan 0.000 0.435 913 L N -1.373 119.829 121.223 -0.034 0.000 2.235 913 L HA 0.242 4.584 4.340 0.003 0.000 0.260 913 L C 0.950 177.801 176.870 -0.031 0.000 1.025 913 L CA -0.015 54.803 54.840 -0.038 0.000 0.836 913 L CB 1.654 43.688 42.059 -0.043 0.000 1.395 913 L HN -0.168 nan 8.230 nan 0.000 0.443 914 E N -1.430 118.751 120.200 -0.032 0.000 2.307 914 E HA 0.032 4.383 4.350 0.003 0.000 0.195 914 E C 1.144 177.730 176.600 -0.025 0.000 0.975 914 E CA 0.787 57.172 56.400 -0.026 0.000 0.878 914 E CB 0.417 30.101 29.700 -0.026 0.000 0.845 914 E HN 0.707 nan 8.360 nan 0.000 0.488 915 S N -0.393 115.290 115.700 -0.028 0.000 2.524 915 S HA 0.081 4.553 4.470 0.003 0.000 0.216 915 S C 1.918 176.503 174.600 -0.024 0.000 0.987 915 S CA 0.282 58.466 58.200 -0.026 0.000 0.909 915 S CB 0.357 63.540 63.200 -0.029 0.000 0.781 915 S HN 0.423 nan 8.310 nan 0.000 0.521 916 G N 2.984 111.768 108.800 -0.026 0.000 2.803 916 G HA2 -0.411 3.550 3.960 0.003 0.000 0.227 916 G HA3 -0.411 3.550 3.960 0.003 0.000 0.227 916 G C 1.626 176.513 174.900 -0.021 0.000 1.129 916 G CA 2.038 47.123 45.100 -0.025 0.000 0.755 916 G HN 0.725 nan 8.290 nan 0.000 0.634 917 S N 0.846 116.535 115.700 -0.018 0.000 2.427 917 S HA 0.035 4.507 4.470 0.003 0.000 0.224 917 S C 1.843 176.434 174.600 -0.015 0.000 1.047 917 S CA 1.105 59.296 58.200 -0.016 0.000 0.953 917 S CB -0.148 63.043 63.200 -0.014 0.000 0.824 917 S HN 0.659 nan 8.310 nan 0.000 0.502 918 E N 1.047 121.238 120.200 -0.015 0.000 2.461 918 E HA 0.119 4.470 4.350 0.003 0.000 0.196 918 E C 0.964 177.555 176.600 -0.015 0.000 1.129 918 E CA 0.450 56.841 56.400 -0.014 0.000 0.902 918 E CB -0.242 29.450 29.700 -0.014 0.000 0.963 918 E HN 0.484 nan 8.360 nan 0.000 0.503 919 I N -0.225 120.336 120.570 -0.016 0.000 4.774 919 I HA 0.150 4.322 4.170 0.003 0.000 0.330 919 I C 0.724 176.832 176.117 -0.014 0.000 1.287 919 I CA -0.471 60.819 61.300 -0.016 0.000 1.311 919 I CB -0.220 37.767 38.000 -0.021 0.000 1.315 919 I HN 0.287 nan 8.210 nan 0.000 0.459 920 L N 2.626 123.841 121.223 -0.014 0.000 2.640 920 L HA 0.207 4.548 4.340 0.003 0.000 0.280 920 L C 1.218 178.082 176.870 -0.010 0.000 1.229 920 L CA 1.509 56.342 54.840 -0.011 0.000 0.919 920 L CB -0.206 41.847 42.059 -0.011 0.000 1.168 920 L HN 0.582 nan 8.230 nan 0.000 0.496 921 G N 3.907 112.701 108.800 -0.009 0.000 2.754 921 G HA2 -0.258 3.704 3.960 0.003 0.000 0.241 921 G HA3 -0.258 3.704 3.960 0.003 0.000 0.241 921 G C -0.265 174.629 174.900 -0.010 0.000 1.281 921 G CA 0.030 45.125 45.100 -0.009 0.000 0.971 921 G HN 1.005 nan 8.290 nan 0.000 0.569 922 D N -1.112 119.283 120.400 -0.009 0.000 10.885 922 D HA -0.111 4.530 4.640 0.003 0.000 0.346 922 D C 0.497 176.791 176.300 -0.009 0.000 3.112 922 D CA 1.446 55.440 54.000 -0.010 0.000 2.676 922 D CB -0.650 40.143 40.800 -0.011 0.000 1.170 922 D HN 1.012 nan 8.370 nan 0.000 0.932 923 L N 2.875 124.092 121.223 -0.008 0.000 3.184 923 L HA 0.210 4.552 4.340 0.003 0.000 0.283 923 L C 1.858 178.724 176.870 -0.006 0.000 1.218 923 L CA -0.207 54.628 54.840 -0.008 0.000 1.028 923 L CB 0.288 42.343 42.059 -0.007 0.000 1.400 923 L HN 0.261 nan 8.230 nan 0.000 0.591 924 K N -0.295 120.101 120.400 -0.007 0.000 2.391 924 K HA 0.323 4.645 4.320 0.003 0.000 0.197 924 K C 1.008 177.604 176.600 -0.006 0.000 1.087 924 K CA 0.207 56.491 56.287 -0.006 0.000 1.012 924 K CB 0.766 33.262 32.500 -0.006 0.000 0.925 924 K HN 0.186 nan 8.250 nan 0.000 0.547 925 L N 1.064 122.282 121.223 -0.008 0.000 2.872 925 L HA 0.196 4.537 4.340 0.003 0.000 0.245 925 L C 1.029 177.894 176.870 -0.008 0.000 1.211 925 L CA 0.038 54.872 54.840 -0.010 0.000 1.013 925 L CB 0.454 42.503 42.059 -0.015 0.000 1.326 925 L HN -0.002 nan 8.230 nan 0.000 0.525 926 Q N -0.775 119.021 119.800 -0.006 0.000 2.159 926 Q HA 0.204 4.546 4.340 0.003 0.000 0.217 926 Q C 1.381 177.381 176.000 0.000 0.000 0.818 926 Q CA 0.231 56.030 55.803 -0.006 0.000 1.008 926 Q CB 1.600 30.330 28.738 -0.013 0.000 1.148 926 Q HN 0.317 nan 8.270 nan 0.000 0.491 927 V N -0.277 119.639 119.914 0.003 0.000 2.690 927 V HA -0.030 4.091 4.120 0.003 0.000 0.240 927 V C 2.017 178.120 176.094 0.014 0.000 1.078 927 V CA 0.680 62.984 62.300 0.007 0.000 1.102 927 V CB 0.052 31.877 31.823 0.003 0.000 0.800 927 V HN 0.205 nan 8.190 nan 0.000 0.479 928 L N -0.643 120.586 121.223 0.010 0.000 1.988 928 L HA -0.130 4.211 4.340 0.003 0.000 0.207 928 L C 2.471 179.357 176.870 0.027 0.000 1.071 928 L CA 1.247 56.095 54.840 0.014 0.000 0.744 928 L CB -0.595 41.467 42.059 0.004 0.000 0.893 928 L HN 0.253 nan 8.230 nan 0.000 0.433 929 L N -0.076 121.160 121.223 0.022 0.000 2.021 929 L HA -0.330 4.011 4.340 0.003 0.000 0.215 929 L C 2.364 179.275 176.870 0.068 0.000 1.074 929 L CA 2.043 56.905 54.840 0.037 0.000 0.760 929 L CB -1.077 40.991 42.059 0.015 0.000 0.889 929 L HN 0.404 nan 8.230 nan 0.000 0.433 930 D N -0.608 119.821 120.400 0.047 0.000 2.097 930 D HA -0.221 4.420 4.640 0.003 0.000 0.195 930 D C 2.002 178.360 176.300 0.097 0.000 0.989 930 D CA 1.256 55.295 54.000 0.065 0.000 0.827 930 D CB 0.117 40.936 40.800 0.031 0.000 0.966 930 D HN 0.283 nan 8.370 nan 0.000 0.456 931 E N 1.370 121.608 120.200 0.064 0.000 2.108 931 E HA -0.249 4.103 4.350 0.003 0.000 0.203 931 E C 1.843 178.488 176.600 0.075 0.000 1.022 931 E CA 1.861 58.295 56.400 0.057 0.000 0.823 931 E CB -0.275 29.446 29.700 0.034 0.000 0.744 931 E HN 0.418 nan 8.360 nan 0.000 0.456 932 E N -1.235 119.020 120.200 0.091 0.000 2.007 932 E HA -0.260 4.092 4.350 0.003 0.000 0.194 932 E C 2.152 178.849 176.600 0.160 0.000 0.999 932 E CA 1.342 57.806 56.400 0.107 0.000 0.811 932 E CB -0.563 29.201 29.700 0.106 0.000 0.762 932 E HN 0.491 nan 8.360 nan 0.000 0.450 933 Y N 1.437 121.788 120.300 0.085 0.000 2.256 933 Y HA -0.246 4.306 4.550 0.003 0.000 0.288 933 Y C 2.389 178.347 175.900 0.097 0.000 1.155 933 Y CA 2.238 60.413 58.100 0.126 0.000 1.203 933 Y CB -0.048 38.479 38.460 0.111 0.000 0.980 933 Y HN 0.018 nan 8.280 nan 0.000 0.530 934 K N -0.125 120.388 120.400 0.188 0.000 1.973 934 K HA -0.319 4.002 4.320 0.003 0.000 0.212 934 K C 2.270 178.877 176.600 0.012 0.000 1.047 934 K CA 1.858 58.199 56.287 0.089 0.000 0.937 934 K CB -0.362 32.184 32.500 0.077 0.000 0.721 934 K HN 0.241 nan 8.250 nan 0.000 0.440 935 Q N 1.004 120.818 119.800 0.024 0.000 2.173 935 Q HA -0.137 4.204 4.340 0.003 0.000 0.208 935 Q C 1.607 177.602 176.000 -0.009 0.000 0.989 935 Q CA 1.757 57.562 55.803 0.002 0.000 0.872 935 Q CB -0.244 28.500 28.738 0.011 0.000 0.909 935 Q HN 0.502 nan 8.270 nan 0.000 0.420 936 L N -0.917 120.301 121.223 -0.008 0.000 2.599 936 L HA 0.041 4.383 4.340 0.003 0.000 0.230 936 L C 1.487 178.330 176.870 -0.045 0.000 1.141 936 L CA -0.116 54.726 54.840 0.004 0.000 0.877 936 L CB 0.121 42.220 42.059 0.066 0.000 1.009 936 L HN 0.060 nan 8.230 nan 0.000 0.447 937 V N -0.763 119.071 119.914 -0.134 0.000 3.048 937 V HA -0.056 4.066 4.120 0.003 0.000 0.241 937 V C 2.320 178.363 176.094 -0.085 0.000 1.129 937 V CA 0.660 62.840 62.300 -0.200 0.000 1.128 937 V CB 0.487 32.153 31.823 -0.262 0.000 0.849 937 V HN 0.294 nan 8.190 nan 0.000 0.475 938 K N 0.188 120.562 120.400 -0.042 0.000 2.160 938 K HA -0.243 4.078 4.320 0.003 0.000 0.206 938 K C 1.572 178.198 176.600 0.043 0.000 1.047 938 K CA 2.011 58.297 56.287 -0.000 0.000 0.930 938 K CB -0.016 32.478 32.500 -0.009 0.000 0.720 938 K HN 0.425 nan 8.250 nan 0.000 0.450 939 D N -0.395 120.022 120.400 0.027 0.000 2.146 939 D HA -0.075 4.567 4.640 0.003 0.000 0.209 939 D C 1.831 178.212 176.300 0.134 0.000 0.973 939 D CA 0.702 54.751 54.000 0.081 0.000 0.860 939 D CB -0.131 40.691 40.800 0.037 0.000 1.015 939 D HN 0.103 nan 8.370 nan 0.000 0.465 940 R N 0.794 121.333 120.500 0.066 0.000 2.133 940 R HA -0.144 4.197 4.340 0.003 0.000 0.247 940 R C 1.854 178.187 176.300 0.055 0.000 1.151 940 R CA 1.272 57.410 56.100 0.063 0.000 0.971 940 R CB 0.082 30.366 30.300 -0.027 0.000 0.866 940 R HN 0.061 nan 8.270 nan 0.000 0.447 941 K N -0.881 119.538 120.400 0.032 0.000 2.323 941 K HA -0.051 4.271 4.320 0.003 0.000 0.197 941 K C 1.730 178.372 176.600 0.070 0.000 1.043 941 K CA 0.210 56.514 56.287 0.029 0.000 0.997 941 K CB 0.013 32.502 32.500 -0.019 0.000 0.807 941 K HN 0.097 nan 8.250 nan 0.000 0.497 942 F N 1.543 121.488 119.950 -0.008 0.000 2.216 942 F HA -0.189 4.339 4.527 0.002 0.000 0.300 942 F C 1.452 177.268 175.800 0.026 0.000 1.085 942 F CA 1.254 59.254 58.000 -0.000 0.000 1.326 942 F CB 0.080 39.079 39.000 -0.001 0.000 1.027 942 F HN -0.087 nan 8.300 nan 0.000 0.497 943 L N -0.065 121.284 121.223 0.210 0.000 2.049 943 L HA -0.089 4.253 4.340 0.003 0.000 0.203 943 L C 2.634 179.555 176.870 0.086 0.000 1.074 943 L CA 1.038 55.983 54.840 0.175 0.000 0.749 943 L CB -0.758 41.460 42.059 0.264 0.000 0.907 943 L HN -0.053 nan 8.230 nan 0.000 0.439 944 R N 0.114 120.674 120.500 0.100 0.000 2.170 944 R HA -0.241 4.101 4.340 0.003 0.000 0.242 944 R C 2.077 178.387 176.300 0.017 0.000 1.145 944 R CA 1.485 57.656 56.100 0.119 0.000 0.984 944 R CB -0.245 30.129 30.300 0.124 0.000 0.869 944 R HN 0.456 nan 8.270 nan 0.000 0.455 945 E N 0.237 120.381 120.200 -0.093 0.000 2.015 945 E HA -0.155 4.196 4.350 0.003 0.000 0.191 945 E C 1.866 178.301 176.600 -0.275 0.000 0.991 945 E CA 1.319 57.604 56.400 -0.192 0.000 0.802 945 E CB 0.163 29.694 29.700 -0.281 0.000 0.759 945 E HN 0.057 nan 8.360 nan 0.000 0.447 946 V N 0.028 119.696 119.914 -0.409 0.000 2.323 946 V HA -0.143 3.978 4.120 0.003 0.000 0.244 946 V C 0.856 176.572 176.094 -0.631 0.000 1.041 946 V CA 1.292 63.238 62.300 -0.590 0.000 1.025 946 V CB -0.265 31.102 31.823 -0.760 0.000 0.656 946 V HN 0.220 nan 8.190 nan 0.000 0.451 947 F N -0.117 119.685 119.950 -0.245 0.000 2.753 947 F HA 0.323 4.852 4.527 0.002 0.000 0.314 947 F C 1.328 177.087 175.800 -0.069 0.000 1.215 947 F CA -0.379 57.512 58.000 -0.182 0.000 1.243 947 F CB -0.274 38.632 39.000 -0.157 0.000 1.400 947 F HN -0.158 nan 8.300 nan 0.000 0.548 948 V N -0.374 119.543 119.914 0.005 0.000 2.418 948 V HA -0.387 3.734 4.120 0.003 0.000 0.258 948 V C 1.635 177.765 176.094 0.060 0.000 1.088 948 V CA 2.143 64.465 62.300 0.038 0.000 1.091 948 V CB -0.615 31.192 31.823 -0.026 0.000 0.669 948 V HN 0.444 nan 8.190 nan 0.000 0.461 949 D N 0.761 121.191 120.400 0.051 0.000 2.172 949 D HA -0.065 4.577 4.640 0.003 0.000 0.196 949 D C 1.922 178.104 176.300 -0.196 0.000 0.999 949 D CA 1.969 55.976 54.000 0.010 0.000 0.856 949 D CB -0.533 40.340 40.800 0.121 0.000 0.934 949 D HN 0.646 nan 8.370 nan 0.000 0.453 950 G N -0.087 108.496 108.800 -0.361 0.000 2.175 950 G HA2 -0.315 3.647 3.960 0.003 0.000 0.244 950 G HA3 -0.315 3.647 3.960 0.003 0.000 0.244 950 G C 0.117 174.784 174.900 -0.389 0.000 0.982 950 G CA 0.214 44.719 45.100 -0.991 0.000 0.641 950 G HN 0.397 nan 8.290 nan 0.000 0.527 951 E N 0.657 120.812 120.200 -0.076 0.000 2.223 951 E HA 0.731 5.083 4.350 0.003 0.000 0.282 951 E C 1.271 177.921 176.600 0.084 0.000 1.046 951 E CA 0.762 57.157 56.400 -0.008 0.000 0.857 951 E CB 0.815 30.526 29.700 0.018 0.000 1.055 951 E HN 0.526 nan 8.360 nan 0.000 0.409 952 A N 5.039 127.815 122.820 -0.074 0.000 1.887 952 A HA -0.000 4.321 4.320 0.003 0.000 0.212 952 A C 0.442 177.967 177.584 -0.098 0.000 1.198 952 A CA 0.261 52.276 52.037 -0.037 0.000 0.628 952 A CB -0.175 18.800 19.000 -0.041 0.000 0.847 952 A HN 0.689 nan 8.150 nan 0.000 0.449 953 N N -0.096 118.410 118.700 -0.323 0.000 2.431 953 N HA 0.220 4.962 4.740 0.003 0.000 0.265 953 N C -1.614 173.491 175.510 -0.674 0.000 1.184 953 N CA 0.577 53.414 53.050 -0.355 0.000 0.943 953 N CB 0.181 38.481 38.487 -0.312 0.000 1.080 953 N HN 0.522 nan 8.380 nan 0.000 0.477 954 W N 1.863 123.086 121.300 -0.130 0.000 3.259 954 W HA 0.263 4.925 4.660 0.002 0.000 0.331 954 W C -2.188 174.323 176.519 -0.013 0.000 1.144 954 W CA -1.723 55.559 57.345 -0.106 0.000 1.227 954 W CB 1.561 30.861 29.460 -0.266 0.000 1.371 954 W HN 0.318 nan 8.180 nan 0.000 0.491 955 P HA 0.114 nan 4.420 nan 0.000 0.263 955 P C -0.823 176.600 177.300 0.205 0.000 1.195 955 P CA 0.680 63.918 63.100 0.230 0.000 0.762 955 P CB 0.965 32.834 31.700 0.282 0.000 0.799 956 L N 5.706 127.024 121.223 0.159 0.000 2.472 956 L HA 0.443 4.784 4.340 0.003 0.000 0.260 956 L C -2.377 174.521 176.870 0.048 0.000 0.963 956 L CA -2.631 52.290 54.840 0.136 0.000 0.829 956 L CB 2.756 44.960 42.059 0.242 0.000 1.348 956 L HN 0.131 nan 8.230 nan 0.000 0.408 957 P HA -0.020 nan 4.420 nan 0.000 0.269 957 P C -0.640 176.581 177.300 -0.132 0.000 1.200 957 P CA 0.073 63.023 63.100 -0.250 0.000 0.779 957 P CB 0.192 31.491 31.700 -0.669 0.000 0.841 958 V N -0.663 119.210 119.914 -0.070 0.000 5.574 958 V HA -0.241 3.881 4.120 0.003 0.000 0.296 958 V C 0.677 176.846 176.094 0.125 0.000 0.678 958 V CA 0.058 62.387 62.300 0.049 0.000 1.093 958 V CB -2.180 29.727 31.823 0.140 0.000 1.279 958 V HN 0.817 nan 8.190 nan 0.000 0.446 959 N N 2.232 120.980 118.700 0.079 0.000 2.315 959 N HA 0.048 4.789 4.740 0.003 0.000 0.270 959 N C 0.692 176.256 175.510 0.091 0.000 1.329 959 N CA 0.478 53.574 53.050 0.076 0.000 0.860 959 N CB 0.692 39.195 38.487 0.027 0.000 1.095 959 N HN 0.611 nan 8.380 nan 0.000 0.487 960 I N 3.830 124.466 120.570 0.112 0.000 2.400 960 I HA 0.002 4.174 4.170 0.003 0.000 0.248 960 I C 2.349 178.491 176.117 0.042 0.000 1.109 960 I CA 0.636 61.986 61.300 0.084 0.000 1.425 960 I CB -0.186 37.871 38.000 0.096 0.000 1.094 960 I HN 0.554 nan 8.210 nan 0.000 0.425 961 R N 0.134 120.665 120.500 0.052 0.000 2.285 961 R HA -0.068 4.273 4.340 0.003 0.000 0.213 961 R C 2.164 178.488 176.300 0.039 0.000 1.068 961 R CA 0.771 56.894 56.100 0.038 0.000 1.004 961 R CB -0.000 30.340 30.300 0.067 0.000 0.873 961 R HN 0.326 nan 8.270 nan 0.000 0.467 962 R N -0.238 120.291 120.500 0.049 0.000 2.090 962 R HA 0.097 4.439 4.340 0.003 0.000 0.219 962 R C 2.200 178.550 176.300 0.083 0.000 1.100 962 R CA 0.681 56.822 56.100 0.068 0.000 0.991 962 R CB -0.032 30.301 30.300 0.055 0.000 0.893 962 R HN 0.178 nan 8.270 nan 0.000 0.443 963 I N 1.178 121.788 120.570 0.067 0.000 2.423 963 I HA -0.284 3.888 4.170 0.003 0.000 0.254 963 I C 1.827 178.010 176.117 0.111 0.000 1.151 963 I CA 0.879 62.235 61.300 0.093 0.000 1.421 963 I CB -0.206 37.807 38.000 0.022 0.000 1.079 963 I HN 0.165 nan 8.210 nan 0.000 0.431 964 I N 0.601 121.162 120.570 -0.014 0.000 2.133 964 I HA -0.254 3.917 4.170 0.003 0.000 0.238 964 I C 2.604 178.717 176.117 -0.007 0.000 1.074 964 I CA 1.480 62.690 61.300 -0.149 0.000 1.342 964 I CB -1.337 36.374 38.000 -0.482 0.000 1.053 964 I HN 0.310 nan 8.210 nan 0.000 0.404 965 Q N 0.416 120.247 119.800 0.053 0.000 2.077 965 Q HA -0.226 4.115 4.340 0.003 0.000 0.206 965 Q C 1.620 177.743 176.000 0.205 0.000 0.989 965 Q CA 1.503 57.396 55.803 0.149 0.000 0.853 965 Q CB -0.304 28.577 28.738 0.239 0.000 0.907 965 Q HN 0.521 nan 8.270 nan 0.000 0.418 966 N N -0.562 118.261 118.700 0.204 0.000 2.571 966 N HA -0.019 4.723 4.740 0.003 0.000 0.189 966 N C 0.846 176.462 175.510 0.178 0.000 1.154 966 N CA 0.768 53.939 53.050 0.202 0.000 0.907 966 N CB 0.345 39.005 38.487 0.289 0.000 0.977 966 N HN 0.230 nan 8.380 nan 0.000 0.449 967 A N 0.774 123.717 122.820 0.205 0.000 1.970 967 A HA -0.019 4.302 4.320 0.003 0.000 0.204 967 A C 1.337 178.997 177.584 0.127 0.000 1.325 967 A CA -0.028 52.118 52.037 0.183 0.000 0.767 967 A CB -0.199 18.981 19.000 0.300 0.000 0.949 967 A HN 0.340 nan 8.150 nan 0.000 0.481 968 Q N -0.115 119.744 119.800 0.098 0.000 2.903 968 Q HA 0.237 4.578 4.340 0.003 0.000 0.295 968 Q C 0.316 176.334 176.000 0.031 0.000 1.157 968 Q CA 0.725 56.580 55.803 0.086 0.000 0.930 968 Q CB -0.125 28.693 28.738 0.133 0.000 1.571 968 Q HN 0.732 nan 8.270 nan 0.000 0.440 969 Q N -1.672 118.091 119.800 -0.062 0.000 1.969 969 Q HA 0.006 4.348 4.340 0.003 0.000 0.177 969 Q C 0.667 176.451 176.000 -0.361 0.000 0.686 969 Q CA 0.598 56.268 55.803 -0.221 0.000 0.788 969 Q CB -0.290 28.470 28.738 0.037 0.000 1.223 969 Q HN 0.174 nan 8.270 nan 0.000 0.391 970 T N 0.105 114.466 114.554 -0.322 0.000 3.055 970 T HA 0.200 4.552 4.350 0.003 0.000 0.265 970 T C 0.242 174.481 174.700 -0.769 0.000 1.111 970 T CA 1.130 62.884 62.100 -0.577 0.000 1.118 970 T CB -0.119 68.240 68.868 -0.849 0.000 0.909 970 T HN 0.314 nan 8.240 nan 0.000 0.501 971 F N -0.656 119.121 119.950 -0.288 0.000 2.746 971 F HA 0.302 4.831 4.527 0.003 0.000 0.320 971 F C 0.290 176.064 175.800 -0.044 0.000 1.097 971 F CA -0.807 57.086 58.000 -0.178 0.000 1.195 971 F CB 0.255 39.143 39.000 -0.187 0.000 1.056 971 F HN 0.038 nan 8.300 nan 0.000 0.562 972 H N 1.543 120.660 119.070 0.079 0.000 2.657 972 H HA -0.181 4.377 4.556 0.003 0.000 0.274 972 H C -0.619 174.748 175.328 0.065 0.000 0.753 972 H CA 0.450 56.537 56.048 0.064 0.000 0.880 972 H CB -0.344 29.439 29.762 0.036 0.000 1.486 972 H HN 0.196 nan 8.280 nan 0.000 0.276 973 I N 4.780 125.462 120.570 0.187 0.000 2.534 973 I HA 0.191 4.362 4.170 0.003 0.000 0.288 973 I C -0.724 175.412 176.117 0.032 0.000 1.077 973 I CA -0.829 60.513 61.300 0.071 0.000 1.051 973 I CB 1.349 39.349 38.000 -0.001 0.000 1.234 973 I HN 0.450 nan 8.210 nan 0.000 0.425 974 D N 5.596 126.009 120.400 0.022 0.000 2.350 974 D HA 0.129 4.770 4.640 0.003 0.000 0.249 974 D C 0.038 176.320 176.300 -0.030 0.000 1.119 974 D CA 0.179 54.209 54.000 0.051 0.000 0.886 974 D CB 0.421 41.250 40.800 0.048 0.000 1.195 974 D HN 0.498 nan 8.370 nan 0.000 0.437 975 H N 1.050 120.146 119.070 0.043 0.000 2.727 975 H HA 0.142 4.700 4.556 0.003 0.000 0.312 975 H C 0.501 175.842 175.328 0.021 0.000 1.204 975 H CA 0.320 56.390 56.048 0.036 0.000 1.122 975 H CB -0.064 29.722 29.762 0.040 0.000 1.453 975 H HN 0.680 nan 8.280 nan 0.000 0.514 976 T N -3.158 111.443 114.554 0.078 0.000 3.092 976 T HA 0.145 4.497 4.350 0.003 0.000 0.273 976 T C 0.392 175.103 174.700 0.018 0.000 0.898 976 T CA -0.395 61.733 62.100 0.046 0.000 0.868 976 T CB 0.701 69.595 68.868 0.043 0.000 1.228 976 T HN -0.062 nan 8.240 nan 0.000 0.555 977 K N 3.191 123.594 120.400 0.006 0.000 2.270 977 K HA 0.665 4.986 4.320 0.003 0.000 0.255 977 K C -2.738 173.851 176.600 -0.019 0.000 0.936 977 K CA -2.242 54.042 56.287 -0.005 0.000 0.809 977 K CB 1.695 34.193 32.500 -0.002 0.000 1.131 977 K HN 0.105 nan 8.250 nan 0.000 0.427 978 P HA 0.025 nan 4.420 nan 0.000 0.272 978 P C -0.362 176.919 177.300 -0.032 0.000 1.230 978 P CA -0.392 62.692 63.100 -0.026 0.000 0.788 978 P CB 1.221 32.908 31.700 -0.023 0.000 0.949 979 S N 0.176 115.852 115.700 -0.040 0.000 2.655 979 S HA 0.163 4.635 4.470 0.003 0.000 0.265 979 S C 0.383 174.958 174.600 -0.043 0.000 1.240 979 S CA -0.447 57.726 58.200 -0.045 0.000 0.986 979 S CB 0.005 63.171 63.200 -0.056 0.000 0.985 979 S HN 0.583 nan 8.310 nan 0.000 0.562 980 D N 1.556 121.928 120.400 -0.046 0.000 2.788 980 D HA 0.224 4.865 4.640 0.003 0.000 0.289 980 D C -0.416 175.852 176.300 -0.054 0.000 1.340 980 D CA -0.159 53.816 54.000 -0.042 0.000 0.831 980 D CB -0.396 40.386 40.800 -0.031 0.000 1.103 980 D HN 0.270 nan 8.370 nan 0.000 0.476 981 L N 0.530 121.707 121.223 -0.077 0.000 2.334 981 L HA 0.420 4.761 4.340 0.003 0.000 0.275 981 L C 0.389 177.200 176.870 -0.099 0.000 1.036 981 L CA -0.511 54.262 54.840 -0.111 0.000 0.807 981 L CB 1.904 43.853 42.059 -0.183 0.000 1.231 981 L HN -0.158 nan 8.230 nan 0.000 0.438 982 T N 1.516 116.012 114.554 -0.097 0.000 2.875 982 T HA 0.282 4.633 4.350 0.003 0.000 0.284 982 T C 1.501 176.144 174.700 -0.096 0.000 0.995 982 T CA -0.696 61.357 62.100 -0.078 0.000 1.060 982 T CB 1.542 70.377 68.868 -0.056 0.000 0.967 982 T HN 0.314 nan 8.240 nan 0.000 0.476 983 I N 1.235 121.759 120.570 -0.077 0.000 2.874 983 I HA -0.150 4.021 4.170 0.003 0.000 0.271 983 I C 1.943 178.019 176.117 -0.068 0.000 1.263 983 I CA 1.472 62.728 61.300 -0.074 0.000 1.443 983 I CB -0.878 37.092 38.000 -0.050 0.000 1.100 983 I HN 0.728 nan 8.210 nan 0.000 0.480 984 K N 0.565 120.926 120.400 -0.064 0.000 2.141 984 K HA -0.080 4.241 4.320 0.003 0.000 0.202 984 K C 1.556 178.119 176.600 -0.062 0.000 1.045 984 K CA 0.581 56.839 56.287 -0.048 0.000 0.971 984 K CB 0.228 32.709 32.500 -0.032 0.000 0.795 984 K HN 0.065 nan 8.250 nan 0.000 0.459 985 D N 1.358 121.704 120.400 -0.089 0.000 2.126 985 D HA -0.233 4.409 4.640 0.003 0.000 0.190 985 D C 1.775 177.967 176.300 -0.179 0.000 1.001 985 D CA 1.434 55.368 54.000 -0.109 0.000 0.841 985 D CB -0.256 40.451 40.800 -0.155 0.000 0.949 985 D HN 0.229 nan 8.370 nan 0.000 0.446 986 I N 0.188 120.565 120.570 -0.322 0.000 2.054 986 I HA -0.244 3.928 4.170 0.003 0.000 0.231 986 I C 2.488 178.559 176.117 -0.076 0.000 1.052 986 I CA 0.697 61.781 61.300 -0.360 0.000 1.320 986 I CB -0.583 37.215 38.000 -0.335 0.000 1.063 986 I HN -0.114 nan 8.210 nan 0.000 0.393 987 V N 0.790 120.667 119.914 -0.062 0.000 2.439 987 V HA -0.298 3.823 4.120 0.003 0.000 0.253 987 V C 2.270 178.372 176.094 0.014 0.000 1.074 987 V CA 1.973 64.267 62.300 -0.011 0.000 1.076 987 V CB -0.482 31.333 31.823 -0.013 0.000 0.664 987 V HN 0.365 nan 8.190 nan 0.000 0.461 988 L N -0.617 120.614 121.223 0.013 0.000 2.221 988 L HA 0.212 4.553 4.340 0.003 0.000 0.202 988 L C 2.391 179.296 176.870 0.058 0.000 1.074 988 L CA 1.449 56.306 54.840 0.027 0.000 0.795 988 L CB -0.683 41.386 42.059 0.016 0.000 0.960 988 L HN 0.309 nan 8.230 nan 0.000 0.458 989 G N -0.569 108.295 108.800 0.108 0.000 2.545 989 G HA2 -0.302 3.660 3.960 0.003 0.000 0.217 989 G HA3 -0.302 3.660 3.960 0.003 0.000 0.217 989 G C 1.581 176.562 174.900 0.135 0.000 1.218 989 G CA 1.153 46.358 45.100 0.176 0.000 0.787 989 G HN 0.209 nan 8.290 nan 0.000 0.571 990 V N 1.019 121.046 119.914 0.189 0.000 2.280 990 V HA -0.337 3.784 4.120 0.003 0.000 0.258 990 V C 2.817 178.929 176.094 0.030 0.000 1.081 990 V CA 2.900 65.263 62.300 0.105 0.000 1.070 990 V CB -0.414 31.480 31.823 0.118 0.000 0.666 990 V HN 0.554 nan 8.190 nan 0.000 0.450 991 K N -0.994 119.424 120.400 0.029 0.000 2.097 991 K HA -0.172 4.150 4.320 0.003 0.000 0.205 991 K C 1.283 177.879 176.600 -0.007 0.000 1.050 991 K CA 1.784 58.074 56.287 0.004 0.000 0.938 991 K CB -0.095 32.410 32.500 0.008 0.000 0.718 991 K HN 0.446 nan 8.250 nan 0.000 0.442 992 D N 0.099 120.501 120.400 0.004 0.000 2.340 992 D HA -0.002 4.639 4.640 0.003 0.000 0.217 992 D C 1.138 177.425 176.300 -0.021 0.000 1.081 992 D CA 0.030 54.026 54.000 -0.007 0.000 0.842 992 D CB 0.556 41.358 40.800 0.004 0.000 0.934 992 D HN 0.159 nan 8.370 nan 0.000 0.511 993 L N 0.160 121.366 121.223 -0.030 0.000 2.102 993 L HA 0.045 4.387 4.340 0.003 0.000 0.202 993 L C 1.913 178.732 176.870 -0.085 0.000 1.076 993 L CA 1.630 56.434 54.840 -0.060 0.000 0.761 993 L CB -0.428 41.589 42.059 -0.069 0.000 0.921 993 L HN -0.167 nan 8.230 nan 0.000 0.444 994 Q N -0.325 119.427 119.800 -0.079 0.000 2.268 994 Q HA -0.244 4.098 4.340 0.003 0.000 0.210 994 Q C 1.934 177.884 176.000 -0.083 0.000 0.988 994 Q CA 1.801 57.549 55.803 -0.092 0.000 0.883 994 Q CB -0.030 28.666 28.738 -0.071 0.000 0.911 994 Q HN 0.504 nan 8.270 nan 0.000 0.430 995 E N 0.106 120.269 120.200 -0.061 0.000 2.347 995 E HA -0.085 4.267 4.350 0.003 0.000 0.196 995 E C 0.274 176.841 176.600 -0.054 0.000 1.008 995 E CA 0.724 57.095 56.400 -0.048 0.000 0.852 995 E CB 0.031 29.712 29.700 -0.031 0.000 0.783 995 E HN 0.606 nan 8.360 nan 0.000 0.505 996 N N -0.108 118.547 118.700 -0.076 0.000 2.451 996 N HA 0.092 4.833 4.740 0.003 0.000 0.271 996 N C 0.962 176.394 175.510 -0.130 0.000 1.410 996 N CA -0.061 52.944 53.050 -0.076 0.000 0.884 996 N CB 0.433 38.891 38.487 -0.049 0.000 1.332 996 N HN 0.022 nan 8.380 nan 0.000 0.498 997 L N 0.202 121.292 121.223 -0.222 0.000 2.552 997 L HA 0.144 4.485 4.340 0.003 0.000 0.227 997 L C 0.401 177.102 176.870 -0.282 0.000 1.146 997 L CA 0.220 54.764 54.840 -0.493 0.000 0.858 997 L CB -0.245 41.349 42.059 -0.776 0.000 0.969 997 L HN 0.260 nan 8.230 nan 0.000 0.451 998 L N 0.675 121.844 121.223 -0.089 0.000 3.543 998 L HA -0.252 4.089 4.340 0.003 0.000 0.591 998 L C 1.093 178.038 176.870 0.125 0.000 1.028 998 L CA 0.305 55.158 54.840 0.021 0.000 1.086 998 L CB -1.001 41.068 42.059 0.016 0.000 1.124 998 L HN -0.009 nan 8.230 nan 0.000 0.705 999 V N 3.616 123.612 119.914 0.138 0.000 2.484 999 V HA 0.148 4.270 4.120 0.003 0.000 0.236 999 V C 1.049 177.207 176.094 0.105 0.000 1.062 999 V CA 0.693 63.089 62.300 0.160 0.000 1.081 999 V CB 0.506 32.438 31.823 0.183 0.000 0.751 999 V HN 0.519 nan 8.190 nan 0.000 0.484 1000 L N -0.055 121.221 121.223 0.088 0.000 2.325 1000 L HA 0.441 4.782 4.340 0.003 0.000 0.278 1000 L C 0.928 177.830 176.870 0.054 0.000 1.023 1000 L CA -0.222 54.662 54.840 0.074 0.000 0.811 1000 L CB 1.801 43.906 42.059 0.077 0.000 1.249 1000 L HN 0.049 nan 8.230 nan 0.000 0.431 1001 R N 1.565 122.094 120.500 0.049 0.000 2.335 1001 R HA 0.203 4.544 4.340 0.003 0.000 0.210 1001 R C 0.722 177.037 176.300 0.026 0.000 0.892 1001 R CA 0.095 56.216 56.100 0.034 0.000 1.048 1001 R CB 0.519 30.839 30.300 0.032 0.000 1.067 1001 R HN 0.818 nan 8.270 nan 0.000 0.524 1002 G N 0.604 109.423 108.800 0.031 0.000 2.568 1002 G HA2 -0.151 3.811 3.960 0.003 0.000 0.231 1002 G HA3 -0.151 3.811 3.960 0.003 0.000 0.231 1002 G C -0.022 174.887 174.900 0.016 0.000 1.261 1002 G CA -0.089 45.026 45.100 0.024 0.000 0.855 1002 G HN 0.194 nan 8.290 nan 0.000 0.576 1003 K N 0.134 120.541 120.400 0.011 0.000 2.399 1003 K HA 0.076 4.397 4.320 0.003 0.000 0.204 1003 K C 0.603 177.205 176.600 0.004 0.000 1.023 1003 K CA -0.238 56.053 56.287 0.006 0.000 1.127 1003 K CB -0.006 32.497 32.500 0.005 0.000 0.856 1003 K HN 0.723 nan 8.250 nan 0.000 0.514 1004 N N -1.381 117.322 118.700 0.005 0.000 2.592 1004 N HA 0.033 4.774 4.740 0.003 0.000 0.292 1004 N C 0.722 176.231 175.510 -0.002 0.000 1.260 1004 N CA -0.570 52.481 53.050 0.001 0.000 0.910 1004 N CB 0.682 39.170 38.487 0.002 0.000 1.257 1004 N HN -0.243 nan 8.380 nan 0.000 0.569 1005 E N -0.204 119.993 120.200 -0.005 0.000 2.019 1005 E HA -0.205 4.146 4.350 0.003 0.000 0.208 1005 E C 1.664 178.257 176.600 -0.012 0.000 1.030 1005 E CA 2.676 59.070 56.400 -0.009 0.000 0.856 1005 E CB -0.388 29.306 29.700 -0.010 0.000 0.781 1005 E HN 0.665 nan 8.360 nan 0.000 0.471 1006 I N -0.470 120.089 120.570 -0.017 0.000 2.226 1006 I HA -0.212 3.960 4.170 0.003 0.000 0.245 1006 I C 2.118 178.223 176.117 -0.020 0.000 1.100 1006 I CA 1.257 62.541 61.300 -0.027 0.000 1.374 1006 I CB -1.180 36.793 38.000 -0.045 0.000 1.057 1006 I HN 0.105 nan 8.210 nan 0.000 0.413 1007 I N 1.832 122.398 120.570 -0.007 0.000 2.091 1007 I HA -0.289 3.883 4.170 0.003 0.000 0.239 1007 I C 2.746 178.869 176.117 0.010 0.000 1.061 1007 I CA 1.777 63.082 61.300 0.008 0.000 1.317 1007 I CB -1.434 36.576 38.000 0.018 0.000 1.031 1007 I HN 0.438 nan 8.210 nan 0.000 0.401 1008 Q N -0.016 119.787 119.800 0.006 0.000 2.515 1008 Q HA -0.106 4.235 4.340 0.003 0.000 0.212 1008 Q C 1.285 177.285 176.000 -0.001 0.000 0.970 1008 Q CA 0.506 56.311 55.803 0.005 0.000 0.941 1008 Q CB -0.297 28.441 28.738 0.001 0.000 0.998 1008 Q HN 0.486 nan 8.270 nan 0.000 0.518 1009 N N -0.455 118.242 118.700 -0.005 0.000 2.236 1009 N HA 0.124 4.865 4.740 0.003 0.000 0.196 1009 N C 0.713 176.217 175.510 -0.010 0.000 1.114 1009 N CA 0.320 53.364 53.050 -0.011 0.000 0.859 1009 N CB 0.650 39.127 38.487 -0.018 0.000 0.982 1009 N HN 0.184 nan 8.380 nan 0.000 0.493 1010 A N 0.083 122.902 122.820 -0.002 0.000 1.909 1010 A HA 0.000 4.322 4.320 0.003 0.000 0.209 1010 A C 1.970 179.573 177.584 0.031 0.000 1.247 1010 A CA 0.696 52.739 52.037 0.010 0.000 0.660 1010 A CB -0.491 18.517 19.000 0.013 0.000 0.910 1010 A HN 0.214 nan 8.150 nan 0.000 0.465 1011 Q N 0.771 120.592 119.800 0.034 0.000 2.156 1011 Q HA -0.244 4.097 4.340 0.003 0.000 0.211 1011 Q C 2.020 178.040 176.000 0.034 0.000 0.995 1011 Q CA 2.590 58.419 55.803 0.043 0.000 0.877 1011 Q CB -0.482 28.276 28.738 0.033 0.000 0.920 1011 Q HN 0.624 nan 8.270 nan 0.000 0.416 1012 R N -0.662 119.847 120.500 0.014 0.000 2.092 1012 R HA -0.111 4.230 4.340 0.003 0.000 0.231 1012 R C 1.281 177.583 176.300 0.003 0.000 1.119 1012 R CA 1.566 57.666 56.100 0.000 0.000 0.970 1012 R CB -0.077 30.216 30.300 -0.013 0.000 0.864 1012 R HN 0.354 nan 8.270 nan 0.000 0.440 1013 D N 0.207 120.615 120.400 0.014 0.000 2.137 1013 D HA -0.044 4.598 4.640 0.003 0.000 0.202 1013 D C 1.357 177.689 176.300 0.054 0.000 0.970 1013 D CA 1.272 55.286 54.000 0.023 0.000 0.837 1013 D CB -0.133 40.681 40.800 0.025 0.000 0.981 1013 D HN 0.290 nan 8.370 nan 0.000 0.475 1014 A N 0.132 122.994 122.820 0.071 0.000 2.277 1014 A HA 0.029 4.351 4.320 0.003 0.000 0.208 1014 A C 1.680 179.352 177.584 0.148 0.000 1.202 1014 A CA 0.674 52.774 52.037 0.105 0.000 0.762 1014 A CB -0.048 19.018 19.000 0.110 0.000 0.770 1014 A HN 0.155 nan 8.150 nan 0.000 0.487 1015 V N -2.870 117.124 119.914 0.133 0.000 3.426 1015 V HA -0.057 4.064 4.120 0.003 0.000 0.271 1015 V C 2.096 178.278 176.094 0.147 0.000 1.530 1015 V CA 1.030 63.446 62.300 0.194 0.000 1.021 1015 V CB -0.248 31.662 31.823 0.144 0.000 0.824 1015 V HN 0.456 nan 8.190 nan 0.000 0.432 1016 T N 1.412 116.001 114.554 0.057 0.000 2.624 1016 T HA -0.352 4.000 4.350 0.003 0.000 0.266 1016 T C 1.788 176.485 174.700 -0.004 0.000 1.050 1016 T CA 2.669 64.744 62.100 -0.042 0.000 1.163 1016 T CB -0.282 68.528 68.868 -0.097 0.000 0.861 1016 T HN 0.316 nan 8.240 nan 0.000 0.443 1017 L N -0.431 120.864 121.223 0.121 0.000 1.988 1017 L HA -0.032 4.310 4.340 0.003 0.000 0.207 1017 L C 2.285 179.279 176.870 0.207 0.000 1.071 1017 L CA 1.509 56.462 54.840 0.189 0.000 0.744 1017 L CB -0.438 41.758 42.059 0.229 0.000 0.893 1017 L HN 0.198 nan 8.230 nan 0.000 0.433 1018 F N 0.331 120.346 119.950 0.109 0.000 2.141 1018 F HA -0.363 4.166 4.527 0.003 0.000 0.300 1018 F C 2.388 178.240 175.800 0.088 0.000 1.079 1018 F CA 1.632 59.710 58.000 0.130 0.000 1.264 1018 F CB -0.919 38.215 39.000 0.224 0.000 1.011 1018 F HN 0.223 nan 8.300 nan 0.000 0.487 1019 C N -0.637 118.609 119.300 -0.089 0.000 2.462 1019 C HA -0.192 4.270 4.460 0.003 0.000 0.278 1019 C C 3.009 177.907 174.990 -0.153 0.000 1.253 1019 C CA 1.041 59.930 59.018 -0.215 0.000 1.713 1019 C CB -1.678 25.985 27.740 -0.129 0.000 2.049 1019 C HN 0.694 nan 8.230 nan 0.000 0.477 1020 C N 0.575 119.832 119.300 -0.072 0.000 2.392 1020 C HA -0.200 4.261 4.460 0.003 0.000 0.276 1020 C C 2.433 177.420 174.990 -0.005 0.000 1.212 1020 C CA 1.402 60.408 59.018 -0.020 0.000 1.791 1020 C CB -1.819 25.950 27.740 0.048 0.000 2.063 1020 C HN 0.687 nan 8.230 nan 0.000 0.481 1021 L N 0.310 121.518 121.223 -0.026 0.000 1.938 1021 L HA -0.048 4.293 4.340 0.003 0.000 0.212 1021 L C 2.419 179.244 176.870 -0.075 0.000 1.085 1021 L CA 1.733 56.562 54.840 -0.020 0.000 0.760 1021 L CB -1.030 41.032 42.059 0.005 0.000 0.888 1021 L HN 0.231 nan 8.230 nan 0.000 0.433 1022 L N 0.209 121.282 121.223 -0.249 0.000 2.095 1022 L HA -0.367 3.975 4.340 0.003 0.000 0.229 1022 L C 2.711 179.523 176.870 -0.097 0.000 1.097 1022 L CA 2.305 56.988 54.840 -0.261 0.000 0.813 1022 L CB -0.693 41.066 42.059 -0.501 0.000 0.907 1022 L HN 0.355 nan 8.230 nan 0.000 0.445 1023 R N -0.984 119.471 120.500 -0.076 0.000 2.096 1023 R HA -0.122 4.220 4.340 0.003 0.000 0.235 1023 R C 2.428 178.769 176.300 0.068 0.000 1.127 1023 R CA 1.553 57.651 56.100 -0.002 0.000 0.968 1023 R CB -0.592 29.706 30.300 -0.003 0.000 0.861 1023 R HN 0.721 nan 8.270 nan 0.000 0.440 1024 S N 0.301 116.064 115.700 0.104 0.000 2.414 1024 S HA -0.050 4.422 4.470 0.003 0.000 0.227 1024 S C 1.965 176.647 174.600 0.137 0.000 1.022 1024 S CA 0.612 58.966 58.200 0.257 0.000 0.958 1024 S CB 0.078 63.419 63.200 0.234 0.000 0.797 1024 S HN 0.100 nan 8.310 nan 0.000 0.493 1025 R N 0.545 121.101 120.500 0.094 0.000 2.200 1025 R HA 0.405 4.746 4.340 0.003 0.000 0.208 1025 R C 0.543 176.934 176.300 0.152 0.000 1.033 1025 R CA 0.580 56.755 56.100 0.127 0.000 1.000 1025 R CB -0.173 30.208 30.300 0.135 0.000 0.906 1025 R HN 0.426 nan 8.270 nan 0.000 0.462 1026 L N 0.644 121.924 121.223 0.095 0.000 2.959 1026 L HA 0.491 4.832 4.340 0.003 0.000 0.236 1026 L C -0.366 176.531 176.870 0.046 0.000 1.296 1026 L CA -0.751 54.168 54.840 0.131 0.000 1.047 1026 L CB 0.739 42.896 42.059 0.163 0.000 1.395 1026 L HN 0.006 nan 8.230 nan 0.000 0.492 1027 A N -0.405 122.375 122.820 -0.067 0.000 2.303 1027 A HA 0.489 4.810 4.320 0.003 0.000 0.317 1027 A C 1.240 178.732 177.584 -0.154 0.000 1.149 1027 A CA -0.275 51.674 52.037 -0.147 0.000 0.822 1027 A CB 0.928 19.684 19.000 -0.407 0.000 1.131 1027 A HN 0.359 nan 8.150 nan 0.000 0.493 1028 T N 0.788 115.281 114.554 -0.102 0.000 2.665 1028 T HA -0.145 4.207 4.350 0.003 0.000 0.268 1028 T C 2.021 176.646 174.700 -0.126 0.000 1.035 1028 T CA 1.713 63.756 62.100 -0.095 0.000 1.151 1028 T CB -0.156 68.682 68.868 -0.051 0.000 0.862 1028 T HN 0.598 nan 8.240 nan 0.000 0.438 1029 R N 0.373 120.786 120.500 -0.146 0.000 2.119 1029 R HA 0.106 4.447 4.340 0.003 0.000 0.222 1029 R C 2.666 178.828 176.300 -0.230 0.000 1.088 1029 R CA 0.605 56.615 56.100 -0.151 0.000 0.984 1029 R CB -0.066 30.169 30.300 -0.108 0.000 0.884 1029 R HN 0.290 nan 8.270 nan 0.000 0.447 1030 R N 0.052 120.348 120.500 -0.340 0.000 2.064 1030 R HA -0.085 4.256 4.340 0.003 0.000 0.228 1030 R C 2.292 178.304 176.300 -0.480 0.000 1.144 1030 R CA 1.499 57.328 56.100 -0.453 0.000 0.932 1030 R CB -0.726 29.255 30.300 -0.530 0.000 0.833 1030 R HN 0.019 nan 8.270 nan 0.000 0.429 1031 V N 2.154 121.898 119.914 -0.283 0.000 2.236 1031 V HA -0.332 3.790 4.120 0.003 0.000 0.255 1031 V C 2.490 178.519 176.094 -0.108 0.000 1.068 1031 V CA 2.156 64.409 62.300 -0.078 0.000 1.044 1031 V CB -0.671 31.182 31.823 0.050 0.000 0.653 1031 V HN 0.307 nan 8.190 nan 0.000 0.448 1032 L N -1.124 120.024 121.223 -0.125 0.000 2.044 1032 L HA -0.117 4.225 4.340 0.003 0.000 0.205 1032 L C 2.666 179.479 176.870 -0.096 0.000 1.075 1032 L CA 1.447 56.232 54.840 -0.093 0.000 0.747 1032 L CB -0.720 41.285 42.059 -0.090 0.000 0.903 1032 L HN 0.320 nan 8.230 nan 0.000 0.435 1033 Q N 0.598 120.319 119.800 -0.131 0.000 1.994 1033 Q HA -0.171 4.171 4.340 0.003 0.000 0.198 1033 Q C 2.069 178.010 176.000 -0.098 0.000 0.976 1033 Q CA 1.735 57.478 55.803 -0.101 0.000 0.828 1033 Q CB 0.096 28.774 28.738 -0.100 0.000 0.894 1033 Q HN 0.497 nan 8.270 nan 0.000 0.432 1034 E N -0.565 119.509 120.200 -0.211 0.000 2.046 1034 E HA -0.133 4.219 4.350 0.003 0.000 0.190 1034 E C -0.069 176.511 176.600 -0.034 0.000 0.982 1034 E CA 0.874 57.162 56.400 -0.187 0.000 0.800 1034 E CB 0.137 29.631 29.700 -0.343 0.000 0.756 1034 E HN 0.344 nan 8.360 nan 0.000 0.449 1035 Y N -1.035 119.304 120.300 0.066 0.000 2.562 1035 Y HA 0.448 4.999 4.550 0.003 0.000 0.363 1035 Y C -0.687 175.224 175.900 0.019 0.000 0.991 1035 Y CA -1.076 57.084 58.100 0.099 0.000 1.121 1035 Y CB -0.591 37.937 38.460 0.112 0.000 1.159 1035 Y HN -0.297 nan 8.280 nan 0.000 0.651 1036 R N 2.395 122.936 120.500 0.068 0.000 4.656 1036 R HA -0.064 4.278 4.340 0.003 0.000 0.159 1036 R C -0.002 176.293 176.300 -0.008 0.000 0.593 1036 R CA 0.297 56.379 56.100 -0.030 0.000 0.927 1036 R CB -0.346 29.873 30.300 -0.136 0.000 0.969 1036 R HN 0.644 nan 8.270 nan 0.000 0.336 1037 L N 0.957 122.233 121.223 0.088 0.000 2.473 1037 L HA 0.066 4.408 4.340 0.003 0.000 0.268 1037 L C 1.471 178.349 176.870 0.013 0.000 1.215 1037 L CA 0.557 55.449 54.840 0.086 0.000 0.823 1037 L CB 0.810 42.988 42.059 0.199 0.000 1.099 1037 L HN 0.531 nan 8.230 nan 0.000 0.483 1038 T N -1.322 113.222 114.554 -0.017 0.000 2.864 1038 T HA 0.249 4.600 4.350 0.003 0.000 0.276 1038 T C 0.698 175.384 174.700 -0.022 0.000 1.006 1038 T CA -0.682 61.390 62.100 -0.046 0.000 0.970 1038 T CB 1.571 70.389 68.868 -0.082 0.000 1.420 1038 T HN 0.443 nan 8.240 nan 0.000 0.601 1039 K N -0.107 120.272 120.400 -0.036 0.000 2.098 1039 K HA 0.087 4.409 4.320 0.003 0.000 0.203 1039 K C 2.426 179.034 176.600 0.013 0.000 1.051 1039 K CA 1.407 57.700 56.287 0.009 0.000 0.957 1039 K CB -0.717 31.779 32.500 -0.008 0.000 0.738 1039 K HN 0.696 nan 8.250 nan 0.000 0.447 1040 Q N -0.006 119.736 119.800 -0.097 0.000 1.956 1040 Q HA -0.203 4.139 4.340 0.003 0.000 0.208 1040 Q C 1.913 177.695 176.000 -0.363 0.000 0.998 1040 Q CA 2.346 58.033 55.803 -0.193 0.000 0.855 1040 Q CB -0.493 28.087 28.738 -0.264 0.000 0.928 1040 Q HN 0.374 nan 8.270 nan 0.000 0.418 1041 A N 0.618 123.001 122.820 -0.728 0.000 1.870 1041 A HA -0.298 4.024 4.320 0.003 0.000 0.219 1041 A C 1.926 179.483 177.584 -0.045 0.000 1.224 1041 A CA 2.015 53.627 52.037 -0.708 0.000 0.650 1041 A CB -1.543 17.184 19.000 -0.454 0.000 0.836 1041 A HN 0.666 nan 8.150 nan 0.000 0.454 1042 F N 0.986 120.890 119.950 -0.077 0.000 2.043 1042 F HA -0.290 4.238 4.527 0.003 0.000 0.297 1042 F C 2.005 177.842 175.800 0.061 0.000 1.118 1042 F CA 2.560 60.573 58.000 0.022 0.000 1.202 1042 F CB -0.419 38.582 39.000 0.002 0.000 0.965 1042 F HN 0.305 nan 8.300 nan 0.000 0.482 1043 D N -0.882 119.586 120.400 0.113 0.000 2.190 1043 D HA -0.259 4.383 4.640 0.003 0.000 0.200 1043 D C 1.801 178.112 176.300 0.019 0.000 0.992 1043 D CA 1.478 55.501 54.000 0.039 0.000 0.854 1043 D CB -0.626 40.242 40.800 0.114 0.000 0.936 1043 D HN 0.589 nan 8.370 nan 0.000 0.462 1044 W N 1.037 122.277 121.300 -0.099 0.000 2.408 1044 W HA -0.178 4.483 4.660 0.002 0.000 0.311 1044 W C 2.202 178.681 176.519 -0.067 0.000 1.190 1044 W CA 1.033 58.371 57.345 -0.011 0.000 1.321 1044 W CB -0.475 29.074 29.460 0.148 0.000 1.143 1044 W HN -0.260 nan 8.180 nan 0.000 0.501 1045 V N 1.364 121.347 119.914 0.115 0.000 2.370 1045 V HA -0.353 3.769 4.120 0.003 0.000 0.252 1045 V C 2.216 178.119 176.094 -0.318 0.000 1.068 1045 V CA 1.875 64.104 62.300 -0.118 0.000 1.061 1045 V CB -1.279 30.514 31.823 -0.051 0.000 0.656 1045 V HN 0.205 nan 8.190 nan 0.000 0.455 1046 L N -0.092 120.887 121.223 -0.407 0.000 1.950 1046 L HA -0.139 4.202 4.340 0.003 0.000 0.210 1046 L C 2.759 179.481 176.870 -0.245 0.000 1.079 1046 L CA 2.324 56.961 54.840 -0.338 0.000 0.754 1046 L CB -1.123 40.718 42.059 -0.364 0.000 0.889 1046 L HN 0.358 nan 8.230 nan 0.000 0.433 1047 S N -0.577 114.997 115.700 -0.210 0.000 2.434 1047 S HA -0.366 4.105 4.470 0.003 0.000 0.250 1047 S C 2.027 176.476 174.600 -0.253 0.000 1.102 1047 S CA 2.247 60.340 58.200 -0.178 0.000 1.104 1047 S CB -0.603 62.524 63.200 -0.122 0.000 0.957 1047 S HN 0.526 nan 8.310 nan 0.000 0.456 1048 N N 0.203 118.639 118.700 -0.440 0.000 2.022 1048 N HA -0.077 4.664 4.740 0.003 0.000 0.194 1048 N C 1.925 177.291 175.510 -0.240 0.000 1.057 1048 N CA 1.815 54.571 53.050 -0.490 0.000 0.849 1048 N CB -0.379 37.589 38.487 -0.864 0.000 1.044 1048 N HN 0.466 nan 8.380 nan 0.000 0.424 1049 I N 1.597 122.057 120.570 -0.182 0.000 2.074 1049 I HA -0.374 3.798 4.170 0.003 0.000 0.238 1049 I C 2.570 178.719 176.117 0.054 0.000 1.037 1049 I CA 1.849 63.140 61.300 -0.015 0.000 1.301 1049 I CB -0.507 37.501 38.000 0.015 0.000 1.016 1049 I HN 0.379 nan 8.210 nan 0.000 0.400 1050 E N 1.038 121.232 120.200 -0.009 0.000 2.136 1050 E HA -0.350 4.001 4.350 0.003 0.000 0.208 1050 E C 1.941 178.571 176.600 0.050 0.000 1.035 1050 E CA 2.299 58.695 56.400 -0.006 0.000 0.838 1050 E CB -0.248 29.418 29.700 -0.057 0.000 0.748 1050 E HN 0.540 nan 8.360 nan 0.000 0.459 1051 A N 0.316 123.138 122.820 0.004 0.000 1.854 1051 A HA -0.161 4.160 4.320 0.003 0.000 0.214 1051 A C 2.275 179.881 177.584 0.037 0.000 1.192 1051 A CA 1.459 53.503 52.037 0.012 0.000 0.611 1051 A CB -0.681 18.299 19.000 -0.034 0.000 0.832 1051 A HN 0.429 nan 8.150 nan 0.000 0.442 1052 Q N -1.734 118.075 119.800 0.016 0.000 2.226 1052 Q HA -0.172 4.169 4.340 0.003 0.000 0.204 1052 Q C 1.729 177.743 176.000 0.022 0.000 0.975 1052 Q CA 1.448 57.257 55.803 0.010 0.000 0.866 1052 Q CB -0.169 28.563 28.738 -0.009 0.000 0.915 1052 Q HN 0.735 nan 8.270 nan 0.000 0.440 1053 F N 0.510 120.418 119.950 -0.069 0.000 2.009 1053 F HA -0.221 4.308 4.527 0.003 0.000 0.293 1053 F C 1.956 177.691 175.800 -0.108 0.000 1.156 1053 F CA 1.209 59.142 58.000 -0.112 0.000 1.168 1053 F CB -0.411 38.550 39.000 -0.064 0.000 0.981 1053 F HN -0.022 nan 8.300 nan 0.000 0.475 1054 L N 0.616 122.085 121.223 0.409 0.000 2.256 1054 L HA -0.338 4.004 4.340 0.003 0.000 0.218 1054 L C 2.374 179.242 176.870 -0.003 0.000 1.089 1054 L CA 1.542 56.509 54.840 0.211 0.000 0.777 1054 L CB -0.501 41.643 42.059 0.141 0.000 0.890 1054 L HN 0.204 nan 8.230 nan 0.000 0.439 1055 R N -1.563 118.894 120.500 -0.071 0.000 2.307 1055 R HA -0.003 4.338 4.340 0.003 0.000 0.199 1055 R C 1.881 177.932 176.300 -0.415 0.000 1.000 1055 R CA 0.737 56.741 56.100 -0.160 0.000 1.023 1055 R CB 0.008 30.245 30.300 -0.106 0.000 0.908 1055 R HN 0.270 nan 8.270 nan 0.000 0.473 1056 S N -0.038 115.397 115.700 -0.441 0.000 2.517 1056 S HA 0.085 4.556 4.470 0.003 0.000 0.214 1056 S C 0.627 174.985 174.600 -0.403 0.000 0.991 1056 S CA -0.229 57.640 58.200 -0.553 0.000 0.906 1056 S CB 0.581 63.468 63.200 -0.522 0.000 0.789 1056 S HN -0.052 nan 8.310 nan 0.000 0.513 1057 V N 3.672 123.414 119.914 -0.286 0.000 2.788 1057 V HA 0.013 4.134 4.120 0.003 0.000 0.307 1057 V C 0.506 176.571 176.094 -0.049 0.000 1.069 1057 V CA -0.173 62.052 62.300 -0.125 0.000 1.173 1057 V CB 0.548 32.350 31.823 -0.036 0.000 0.925 1057 V HN 0.182 nan 8.190 nan 0.000 0.492 1058 V N 5.192 125.086 119.914 -0.035 0.000 2.901 1058 V HA 0.032 4.153 4.120 0.003 0.000 0.307 1058 V C 0.493 176.625 176.094 0.064 0.000 1.084 1058 V CA -0.217 62.053 62.300 -0.048 0.000 1.184 1058 V CB -0.224 31.506 31.823 -0.154 0.000 0.941 1058 V HN 0.783 nan 8.190 nan 0.000 0.493 1059 H N 3.633 122.604 119.070 -0.163 0.000 2.562 1059 H HA 0.242 4.800 4.556 0.003 0.000 0.314 1059 H C -2.290 172.909 175.328 -0.215 0.000 1.079 1059 H CA -1.982 53.976 56.048 -0.150 0.000 1.349 1059 H CB 1.432 31.129 29.762 -0.109 0.000 1.432 1059 H HN 0.495 nan 8.280 nan 0.000 0.479 1060 P HA -0.066 nan 4.420 nan 0.000 0.260 1060 P C 0.806 177.822 177.300 -0.474 0.000 1.185 1060 P CA 1.052 63.830 63.100 -0.536 0.000 0.763 1060 P CB 0.671 31.718 31.700 -1.087 0.000 0.776 1061 G N 2.708 111.303 108.800 -0.342 0.000 2.793 1061 G HA2 -0.169 3.792 3.960 0.003 0.000 0.197 1061 G HA3 -0.169 3.792 3.960 0.003 0.000 0.197 1061 G C -0.292 174.508 174.900 -0.167 0.000 2.112 1061 G CA -0.625 44.361 45.100 -0.191 0.000 1.556 1061 G HN 0.469 nan 8.290 nan 0.000 0.534 1062 E N 2.027 122.149 120.200 -0.130 0.000 3.556 1062 E HA -0.107 4.244 4.350 0.003 0.000 0.291 1062 E C 0.468 176.981 176.600 -0.145 0.000 0.761 1062 E CA 0.756 57.074 56.400 -0.138 0.000 1.045 1062 E CB -0.036 29.559 29.700 -0.175 0.000 0.825 1062 E HN 0.360 nan 8.360 nan 0.000 0.541 1063 M N 4.060 123.589 119.600 -0.118 0.000 3.706 1063 M HA 0.021 4.503 4.480 0.003 0.000 0.204 1063 M C 0.640 176.894 176.300 -0.077 0.000 1.455 1063 M CA -0.099 55.140 55.300 -0.103 0.000 1.659 1063 M CB -0.257 32.288 32.600 -0.093 0.000 1.076 1063 M HN 0.114 nan 8.290 nan 0.000 0.577 1064 V N 0.760 120.634 119.914 -0.066 0.000 3.564 1064 V HA -0.028 4.094 4.120 0.003 0.000 0.283 1064 V C 1.822 177.949 176.094 0.055 0.000 1.227 1064 V CA 0.968 63.273 62.300 0.008 0.000 1.217 1064 V CB -1.408 30.427 31.823 0.019 0.000 0.994 1064 V HN 0.790 nan 8.190 nan 0.000 0.446 1065 G N 0.260 109.054 108.800 -0.010 0.000 2.658 1065 G HA2 -0.066 3.896 3.960 0.003 0.000 0.217 1065 G HA3 -0.066 3.896 3.960 0.003 0.000 0.217 1065 G C 1.476 176.342 174.900 -0.057 0.000 1.319 1065 G CA 0.814 45.894 45.100 -0.034 0.000 0.885 1065 G HN 0.242 nan 8.290 nan 0.000 0.553 1066 V N 1.293 121.162 119.914 -0.074 0.000 2.311 1066 V HA -0.251 3.871 4.120 0.003 0.000 0.259 1066 V C 2.788 178.826 176.094 -0.093 0.000 1.086 1066 V CA 1.896 64.144 62.300 -0.086 0.000 1.078 1066 V CB -0.789 30.986 31.823 -0.079 0.000 0.668 1066 V HN 0.293 nan 8.190 nan 0.000 0.452 1067 L N 0.724 121.899 121.223 -0.080 0.000 1.970 1067 L HA -0.150 4.192 4.340 0.003 0.000 0.212 1067 L C 2.472 179.233 176.870 -0.181 0.000 1.071 1067 L CA 2.777 57.549 54.840 -0.113 0.000 0.751 1067 L CB -1.565 40.461 42.059 -0.056 0.000 0.889 1067 L HN 0.344 nan 8.230 nan 0.000 0.432 1068 A N -1.329 121.445 122.820 -0.077 0.000 2.119 1068 A HA 0.090 4.411 4.320 0.003 0.000 0.217 1068 A C 2.329 179.854 177.584 -0.099 0.000 1.153 1068 A CA 1.342 53.345 52.037 -0.057 0.000 0.692 1068 A CB -0.642 18.425 19.000 0.112 0.000 0.799 1068 A HN 0.549 nan 8.150 nan 0.000 0.458 1069 A N -0.227 122.524 122.820 -0.115 0.000 1.840 1069 A HA -0.138 4.183 4.320 0.003 0.000 0.214 1069 A C 2.098 179.606 177.584 -0.126 0.000 1.198 1069 A CA 1.366 53.327 52.037 -0.126 0.000 0.608 1069 A CB -0.617 18.301 19.000 -0.137 0.000 0.839 1069 A HN 0.576 nan 8.150 nan 0.000 0.443 1070 Q N 0.021 119.742 119.800 -0.131 0.000 2.061 1070 Q HA -0.156 4.186 4.340 0.003 0.000 0.204 1070 Q C 2.398 178.328 176.000 -0.116 0.000 0.984 1070 Q CA 1.866 57.594 55.803 -0.124 0.000 0.846 1070 Q CB -0.388 28.284 28.738 -0.111 0.000 0.902 1070 Q HN 0.593 nan 8.270 nan 0.000 0.421 1071 S N 0.796 116.388 115.700 -0.179 0.000 2.400 1071 S HA -0.115 4.356 4.470 0.003 0.000 0.232 1071 S C 1.889 176.425 174.600 -0.106 0.000 1.025 1071 S CA 1.072 59.144 58.200 -0.214 0.000 0.993 1071 S CB -0.153 62.683 63.200 -0.607 0.000 0.808 1071 S HN 0.301 nan 8.310 nan 0.000 0.478 1072 I N 0.783 121.299 120.570 -0.090 0.000 3.030 1072 I HA 0.074 4.246 4.170 0.003 0.000 0.270 1072 I C 2.441 178.518 176.117 -0.066 0.000 1.211 1072 I CA 0.471 61.735 61.300 -0.061 0.000 1.479 1072 I CB -0.567 37.396 38.000 -0.061 0.000 1.105 1072 I HN 0.287 nan 8.210 nan 0.000 0.447 1073 G N 0.707 109.458 108.800 -0.082 0.000 2.505 1073 G HA2 -0.232 3.730 3.960 0.003 0.000 0.214 1073 G HA3 -0.232 3.730 3.960 0.003 0.000 0.214 1073 G C 1.452 176.306 174.900 -0.078 0.000 1.237 1073 G CA 0.484 45.533 45.100 -0.085 0.000 0.802 1073 G HN 0.259 nan 8.290 nan 0.000 0.549 1074 E N 1.080 121.223 120.200 -0.094 0.000 2.110 1074 E HA -0.199 4.152 4.350 0.003 0.000 0.225 1074 E C 0.315 176.898 176.600 -0.027 0.000 1.063 1074 E CA 2.322 58.674 56.400 -0.079 0.000 0.906 1074 E CB -1.109 28.594 29.700 0.006 0.000 0.795 1074 E HN 0.338 nan 8.360 nan 0.000 0.479 1075 P HA -0.060 nan 4.420 nan 0.000 0.223 1075 P C 1.115 178.405 177.300 -0.018 0.000 1.151 1075 P CA 1.675 64.772 63.100 -0.006 0.000 0.787 1075 P CB -0.175 31.521 31.700 -0.008 0.000 0.788 1076 A N 0.559 123.362 122.820 -0.027 0.000 1.908 1076 A HA -0.140 4.182 4.320 0.003 0.000 0.218 1076 A C 2.084 179.657 177.584 -0.020 0.000 1.181 1076 A CA 2.236 54.259 52.037 -0.025 0.000 0.627 1076 A CB -1.982 17.000 19.000 -0.030 0.000 0.818 1076 A HN 0.245 nan 8.150 nan 0.000 0.445 1077 T N 0.303 114.841 114.554 -0.027 0.000 3.155 1077 T HA -0.020 4.332 4.350 0.003 0.000 0.264 1077 T C 0.736 175.426 174.700 -0.016 0.000 1.160 1077 T CA 0.867 62.951 62.100 -0.026 0.000 1.075 1077 T CB -0.120 68.721 68.868 -0.045 0.000 0.921 1077 T HN 0.526 nan 8.240 nan 0.000 0.533 1078 Q N 0.717 120.510 119.800 -0.011 0.000 2.241 1078 Q HA 0.392 4.734 4.340 0.003 0.000 0.296 1078 Q C -0.449 175.549 176.000 -0.003 0.000 0.889 1078 Q CA 0.059 55.859 55.803 -0.005 0.000 1.089 1078 Q CB 0.223 28.961 28.738 0.000 0.000 1.195 1078 Q HN 0.550 nan 8.270 nan 0.000 0.451 1079 M N 0.889 120.487 119.600 -0.003 0.000 2.142 1079 M HA 0.436 4.917 4.480 0.003 0.000 0.299 1079 M C -0.735 175.568 176.300 0.004 0.000 0.960 1079 M CA -0.135 55.165 55.300 0.000 0.000 0.920 1079 M CB 2.177 34.776 32.600 -0.002 0.000 1.541 1079 M HN -0.142 nan 8.290 nan 0.000 0.429 1080 T N 3.217 117.775 114.554 0.007 0.000 2.900 1080 T HA 0.798 5.150 4.350 0.003 0.000 0.303 1080 T C -0.731 173.978 174.700 0.014 0.000 1.142 1080 T CA -0.729 61.378 62.100 0.011 0.000 1.007 1080 T CB 2.332 71.207 68.868 0.011 0.000 1.156 1080 T HN 0.536 nan 8.240 nan 0.000 0.490 1093 K N 0.327 120.741 120.400 0.024 0.000 2.553 1093 K HA 0.691 5.013 4.320 0.003 0.000 0.250 1093 K C -0.971 175.649 176.600 0.033 0.000 0.953 1093 K CA -0.793 55.508 56.287 0.025 0.000 0.800 1093 K CB 2.485 34.998 32.500 0.020 0.000 1.243 1093 K HN 0.129 nan 8.250 nan 0.000 0.435 1094 V N -1.516 118.418 119.914 0.034 0.000 2.963 1094 V HA 0.345 4.467 4.120 0.003 0.000 0.272 1094 V C -0.450 175.668 176.094 0.040 0.000 1.559 1094 V CA -1.356 60.969 62.300 0.042 0.000 0.959 1094 V CB 1.290 33.146 31.823 0.055 0.000 1.202 1094 V HN 0.761 nan 8.190 nan 0.000 0.447 1095 T N 1.429 116.008 114.554 0.042 0.000 2.759 1095 T HA 0.480 4.832 4.350 0.003 0.000 0.273 1095 T C 0.495 175.224 174.700 0.048 0.000 0.938 1095 T CA 0.577 62.702 62.100 0.042 0.000 1.197 1095 T CB -0.425 68.469 68.868 0.044 0.000 0.887 1095 T HN 1.742 nan 8.240 nan 0.000 0.540 1096 S N 2.176 117.899 115.700 0.039 0.000 2.709 1096 S HA 0.942 5.413 4.470 0.003 0.000 0.302 1096 S C 0.455 175.071 174.600 0.027 0.000 1.127 1096 S CA -0.254 57.967 58.200 0.035 0.000 0.905 1096 S CB 1.650 64.867 63.200 0.029 0.000 1.151 1096 S HN 1.860 nan 8.310 nan 0.000 0.510 1097 G N 0.047 108.858 108.800 0.018 0.000 2.693 1097 G HA2 -0.177 3.784 3.960 0.003 0.000 0.226 1097 G HA3 -0.177 3.784 3.960 0.003 0.000 0.226 1097 G C 0.530 175.441 174.900 0.018 0.000 1.354 1097 G CA -0.232 44.876 45.100 0.013 0.000 0.873 1097 G HN 1.529 nan 8.290 nan 0.000 0.562 1098 V N 2.792 122.715 119.914 0.016 0.000 2.370 1098 V HA -0.160 3.962 4.120 0.003 0.000 0.252 1098 V C 0.928 177.041 176.094 0.033 0.000 1.068 1098 V CA 3.199 65.512 62.300 0.021 0.000 1.061 1098 V CB -1.170 30.664 31.823 0.019 0.000 0.656 1098 V HN 0.752 nan 8.190 nan 0.000 0.455 1099 P HA -0.191 nan 4.420 nan 0.000 0.217 1099 P C 1.574 178.905 177.300 0.052 0.000 1.150 1099 P CA 1.445 64.571 63.100 0.043 0.000 0.832 1099 P CB -0.029 31.693 31.700 0.037 0.000 0.787 1100 R N 0.132 120.662 120.500 0.050 0.000 2.066 1100 R HA -0.063 4.278 4.340 0.003 0.000 0.232 1100 R C 2.346 178.689 176.300 0.072 0.000 1.131 1100 R CA 1.015 57.155 56.100 0.066 0.000 0.955 1100 R CB -1.774 28.565 30.300 0.064 0.000 0.851 1100 R HN 0.018 nan 8.270 nan 0.000 0.432 1101 L N 1.215 122.467 121.223 0.049 0.000 2.043 1101 L HA -0.191 4.151 4.340 0.003 0.000 0.212 1101 L C 2.253 179.156 176.870 0.054 0.000 1.075 1101 L CA 2.146 57.008 54.840 0.037 0.000 0.752 1101 L CB -0.585 41.481 42.059 0.012 0.000 0.891 1101 L HN 0.292 nan 8.230 nan 0.000 0.432 1102 K N -0.709 119.730 120.400 0.065 0.000 2.026 1102 K HA -0.239 4.083 4.320 0.003 0.000 0.208 1102 K C 2.079 178.742 176.600 0.104 0.000 1.048 1102 K CA 1.751 58.089 56.287 0.085 0.000 0.929 1102 K CB -0.190 32.364 32.500 0.091 0.000 0.713 1102 K HN 0.400 nan 8.250 nan 0.000 0.439 1103 E N 0.531 120.793 120.200 0.103 0.000 2.035 1103 E HA -0.246 4.105 4.350 0.003 0.000 0.204 1103 E C 2.008 178.717 176.600 0.182 0.000 1.025 1103 E CA 2.044 58.516 56.400 0.120 0.000 0.835 1103 E CB -0.164 29.598 29.700 0.103 0.000 0.764 1103 E HN 0.323 nan 8.360 nan 0.000 0.457 1104 I N 0.316 121.016 120.570 0.218 0.000 2.145 1104 I HA -0.328 3.844 4.170 0.003 0.000 0.244 1104 I C 2.242 178.493 176.117 0.223 0.000 1.075 1104 I CA 1.066 62.551 61.300 0.309 0.000 1.332 1104 I CB -0.123 37.954 38.000 0.128 0.000 1.033 1104 I HN 0.188 nan 8.210 nan 0.000 0.410 1105 L N 0.271 121.568 121.223 0.122 0.000 2.313 1105 L HA -0.096 4.246 4.340 0.003 0.000 0.214 1105 L C 1.827 178.774 176.870 0.129 0.000 1.119 1105 L CA 1.082 55.970 54.840 0.081 0.000 0.809 1105 L CB -0.536 41.539 42.059 0.027 0.000 0.933 1105 L HN 0.261 nan 8.230 nan 0.000 0.449 1106 N N -0.454 118.341 118.700 0.158 0.000 2.461 1106 N HA 0.009 4.750 4.740 0.003 0.000 0.188 1106 N C 0.132 175.753 175.510 0.186 0.000 1.134 1106 N CA 0.243 53.398 53.050 0.176 0.000 0.878 1106 N CB 0.265 38.850 38.487 0.164 0.000 0.972 1106 N HN 0.004 nan 8.380 nan 0.000 0.456 1107 V N 0.574 120.627 119.914 0.231 0.000 5.953 1107 V HA -0.258 3.864 4.120 0.003 0.000 0.213 1107 V C 0.530 176.696 176.094 0.120 0.000 0.673 1107 V CA 0.159 62.615 62.300 0.259 0.000 0.618 1107 V CB -2.594 29.373 31.823 0.240 0.000 0.533 1107 V HN 0.437 nan 8.190 nan 0.000 0.447 1108 A N 4.073 126.946 122.820 0.089 0.000 2.404 1108 A HA 0.472 4.794 4.320 0.003 0.000 0.273 1108 A C 1.210 178.765 177.584 -0.048 0.000 1.144 1108 A CA -0.241 51.815 52.037 0.031 0.000 0.806 1108 A CB 0.455 19.482 19.000 0.045 0.000 1.080 1108 A HN 0.565 nan 8.150 nan 0.000 0.509 1109 K N 1.415 121.796 120.400 -0.031 0.000 2.365 1109 K HA -0.008 4.314 4.320 0.003 0.000 0.197 1109 K C -0.133 176.437 176.600 -0.049 0.000 1.042 1109 K CA 0.517 56.772 56.287 -0.054 0.000 0.987 1109 K CB 0.181 32.662 32.500 -0.032 0.000 0.779 1109 K HN 0.807 nan 8.250 nan 0.000 0.484 1110 N N 1.738 120.420 118.700 -0.029 0.000 2.699 1110 N HA 0.088 4.830 4.740 0.003 0.000 0.317 1110 N C 0.162 175.663 175.510 -0.015 0.000 1.661 1110 N CA -0.138 52.901 53.050 -0.019 0.000 0.979 1110 N CB 0.124 38.609 38.487 -0.004 0.000 1.329 1110 N HN 0.196 nan 8.380 nan 0.000 0.497 1111 M N -1.534 118.047 119.600 -0.032 0.000 2.238 1111 M HA 0.291 4.773 4.480 0.003 0.000 0.347 1111 M C 0.725 177.020 176.300 -0.009 0.000 1.173 1111 M CA -0.064 55.224 55.300 -0.021 0.000 1.147 1111 M CB 1.381 33.954 32.600 -0.046 0.000 1.547 1111 M HN -0.250 nan 8.290 nan 0.000 0.455 1112 K N 1.276 121.680 120.400 0.006 0.000 2.025 1112 K HA 0.025 4.347 4.320 0.003 0.000 0.207 1112 K C 0.194 176.800 176.600 0.009 0.000 1.049 1112 K CA 1.392 57.685 56.287 0.010 0.000 0.933 1112 K CB 0.159 32.670 32.500 0.018 0.000 0.714 1112 K HN 0.839 nan 8.250 nan 0.000 0.438 1113 T N 2.882 117.444 114.554 0.013 0.000 3.332 1113 T HA 0.309 4.661 4.350 0.003 0.000 0.385 1113 T C -2.685 172.019 174.700 0.007 0.000 1.695 1113 T CA -1.598 60.510 62.100 0.015 0.000 1.397 1113 T CB 1.225 70.109 68.868 0.027 0.000 1.100 1113 T HN -0.087 nan 8.240 nan 0.000 0.669 1114 P HA 0.556 nan 4.420 nan 0.000 0.276 1114 P C -0.414 176.878 177.300 -0.014 0.000 1.252 1114 P CA -0.469 62.616 63.100 -0.025 0.000 0.802 1114 P CB 0.825 32.499 31.700 -0.043 0.000 1.035 1115 S N 1.077 116.762 115.700 -0.024 0.000 2.583 1115 S HA 0.317 4.788 4.470 0.003 0.000 0.294 1115 S C -1.242 173.337 174.600 -0.036 0.000 1.121 1115 S CA -0.765 57.427 58.200 -0.013 0.000 0.910 1115 S CB 0.066 63.278 63.200 0.020 0.000 1.102 1115 S HN 0.139 nan 8.310 nan 0.000 0.451 1116 L N 3.020 124.220 121.223 -0.038 0.000 2.466 1116 L HA 0.569 4.911 4.340 0.003 0.000 0.257 1116 L C 0.426 177.271 176.870 -0.041 0.000 1.189 1116 L CA -0.051 54.759 54.840 -0.051 0.000 0.813 1116 L CB 1.069 43.099 42.059 -0.048 0.000 1.118 1116 L HN 0.851 nan 8.230 nan 0.000 0.471 1117 T N 0.989 115.503 114.554 -0.068 0.000 3.089 1117 T HA 0.342 4.693 4.350 0.003 0.000 0.340 1117 T C -0.281 174.227 174.700 -0.321 0.000 1.008 1117 T CA -0.390 61.612 62.100 -0.163 0.000 1.096 1117 T CB 1.194 70.021 68.868 -0.068 0.000 1.024 1117 T HN 0.208 nan 8.240 nan 0.000 0.477 1118 V N 3.525 123.273 119.914 -0.277 0.000 2.583 1118 V HA 0.406 4.527 4.120 0.003 0.000 0.287 1118 V C -0.532 175.385 176.094 -0.296 0.000 1.051 1118 V CA -0.600 61.580 62.300 -0.201 0.000 1.010 1118 V CB 0.243 32.010 31.823 -0.092 0.000 0.988 1118 V HN 0.748 nan 8.190 nan 0.000 0.478 1119 Y N 3.057 123.360 120.300 0.004 0.000 2.377 1119 Y HA 0.518 5.069 4.550 0.003 0.000 0.339 1119 Y C 0.165 176.079 175.900 0.023 0.000 1.011 1119 Y CA -0.994 57.110 58.100 0.008 0.000 1.093 1119 Y CB 1.837 40.313 38.460 0.028 0.000 1.201 1119 Y HN 0.453 nan 8.280 nan 0.000 0.455 1120 L N 2.536 123.900 121.223 0.235 0.000 2.483 1120 L HA -0.012 4.330 4.340 0.003 0.000 0.275 1120 L C 0.478 177.433 176.870 0.142 0.000 1.220 1120 L CA 0.383 55.317 54.840 0.157 0.000 0.833 1120 L CB 0.270 42.428 42.059 0.166 0.000 1.102 1120 L HN 0.599 nan 8.230 nan 0.000 0.490 1121 E N 4.190 124.464 120.200 0.123 0.000 2.529 1121 E HA -0.089 4.262 4.350 0.003 0.000 0.259 1121 E C -1.577 175.096 176.600 0.122 0.000 0.966 1121 E CA -0.927 55.548 56.400 0.125 0.000 0.937 1121 E CB 0.725 30.521 29.700 0.161 0.000 0.923 1121 E HN 0.365 nan 8.360 nan 0.000 0.468 1122 P HA -0.229 nan 4.420 nan 0.000 0.218 1122 P C 1.021 178.336 177.300 0.024 0.000 1.154 1122 P CA 1.805 64.927 63.100 0.037 0.000 0.872 1122 P CB 0.086 31.797 31.700 0.017 0.000 0.790 1123 G N -1.272 107.537 108.800 0.015 0.000 2.404 1123 G HA2 -0.144 3.817 3.960 0.003 0.000 0.215 1123 G HA3 -0.144 3.817 3.960 0.003 0.000 0.215 1123 G C 0.585 175.404 174.900 -0.135 0.000 1.174 1123 G CA 0.431 45.482 45.100 -0.080 0.000 0.780 1123 G HN 0.325 nan 8.290 nan 0.000 0.537 1124 H N 0.476 119.560 119.070 0.023 0.000 2.690 1124 H HA 0.491 5.049 4.556 0.003 0.000 0.314 1124 H C 0.674 176.035 175.328 0.055 0.000 1.069 1124 H CA 0.357 56.423 56.048 0.030 0.000 1.436 1124 H CB 1.699 31.471 29.762 0.017 0.000 1.462 1124 H HN 0.268 nan 8.280 nan 0.000 0.511 1125 A N 2.841 125.756 122.820 0.159 0.000 1.807 1125 A HA 0.369 4.691 4.320 0.003 0.000 0.178 1125 A C 1.687 179.415 177.584 0.240 0.000 2.008 1125 A CA 0.548 52.685 52.037 0.167 0.000 1.178 1125 A CB -0.557 18.510 19.000 0.113 0.000 0.966 1125 A HN 0.594 nan 8.150 nan 0.000 0.653 1126 A N -0.348 122.604 122.820 0.220 0.000 2.251 1126 A HA 0.193 4.515 4.320 0.003 0.000 0.209 1126 A C 0.443 178.151 177.584 0.206 0.000 1.187 1126 A CA 0.461 52.691 52.037 0.322 0.000 0.823 1126 A CB -0.316 18.823 19.000 0.233 0.000 0.846 1126 A HN 0.356 nan 8.150 nan 0.000 0.486 1127 D N 0.950 121.409 120.400 0.098 0.000 2.385 1127 D HA 0.072 4.714 4.640 0.003 0.000 0.260 1127 D C 1.341 177.523 176.300 -0.198 0.000 1.326 1127 D CA 0.228 54.226 54.000 -0.003 0.000 1.023 1127 D CB 0.641 41.488 40.800 0.078 0.000 1.083 1127 D HN 0.631 nan 8.370 nan 0.000 0.517 1128 Q N 2.192 121.782 119.800 -0.349 0.000 2.311 1128 Q HA -0.068 4.274 4.340 0.003 0.000 0.203 1128 Q C 1.557 177.268 176.000 -0.483 0.000 0.954 1128 Q CA 0.952 56.297 55.803 -0.764 0.000 0.885 1128 Q CB 0.001 28.160 28.738 -0.964 0.000 0.963 1128 Q HN 0.426 nan 8.270 nan 0.000 0.471 1129 E N 0.391 120.429 120.200 -0.269 0.000 2.106 1129 E HA -0.278 4.073 4.350 0.003 0.000 0.192 1129 E C 1.940 178.428 176.600 -0.186 0.000 0.984 1129 E CA 1.329 57.614 56.400 -0.192 0.000 0.806 1129 E CB 0.107 29.737 29.700 -0.116 0.000 0.750 1129 E HN 0.526 nan 8.360 nan 0.000 0.458 1130 Q N 0.668 120.364 119.800 -0.173 0.000 2.135 1130 Q HA -0.120 4.222 4.340 0.003 0.000 0.204 1130 Q C 1.794 177.684 176.000 -0.183 0.000 0.981 1130 Q CA 2.025 57.732 55.803 -0.160 0.000 0.856 1130 Q CB -0.441 28.223 28.738 -0.122 0.000 0.902 1130 Q HN 0.272 nan 8.270 nan 0.000 0.425 1131 A N 0.124 122.797 122.820 -0.246 0.000 2.070 1131 A HA -0.157 4.165 4.320 0.003 0.000 0.220 1131 A C 1.867 179.336 177.584 -0.192 0.000 1.159 1131 A CA 1.419 53.319 52.037 -0.228 0.000 0.656 1131 A CB -0.333 18.447 19.000 -0.365 0.000 0.800 1131 A HN 0.390 nan 8.150 nan 0.000 0.453 1132 K N -0.288 119.987 120.400 -0.208 0.000 2.044 1132 K HA 0.084 4.405 4.320 0.003 0.000 0.204 1132 K C 1.741 178.262 176.600 -0.132 0.000 1.049 1132 K CA 1.017 57.200 56.287 -0.173 0.000 0.945 1132 K CB -0.342 32.053 32.500 -0.175 0.000 0.724 1132 K HN 0.449 nan 8.250 nan 0.000 0.440 1133 L N 0.978 122.127 121.223 -0.123 0.000 2.081 1133 L HA -0.226 4.115 4.340 0.003 0.000 0.212 1133 L C 2.243 179.061 176.870 -0.087 0.000 1.080 1133 L CA 1.381 56.161 54.840 -0.099 0.000 0.754 1133 L CB -0.689 41.309 42.059 -0.102 0.000 0.893 1133 L HN 0.207 nan 8.230 nan 0.000 0.433 1134 I N -0.886 119.629 120.570 -0.091 0.000 2.617 1134 I HA -0.177 3.995 4.170 0.003 0.000 0.256 1134 I C 2.771 178.854 176.117 -0.057 0.000 1.167 1134 I CA 0.641 61.900 61.300 -0.069 0.000 1.469 1134 I CB -0.273 37.688 38.000 -0.064 0.000 1.098 1134 I HN 0.169 nan 8.210 nan 0.000 0.436 1135 R N 1.170 121.627 120.500 -0.073 0.000 2.073 1135 R HA -0.140 4.201 4.340 0.003 0.000 0.229 1135 R C 2.462 178.735 176.300 -0.045 0.000 1.120 1135 R CA 1.827 57.890 56.100 -0.063 0.000 0.967 1135 R CB -0.076 30.158 30.300 -0.109 0.000 0.862 1135 R HN 0.409 nan 8.270 nan 0.000 0.436 1136 S N -0.858 114.807 115.700 -0.059 0.000 2.496 1136 S HA 0.105 4.577 4.470 0.003 0.000 0.224 1136 S C 1.640 176.226 174.600 -0.023 0.000 0.996 1136 S CA 0.427 58.603 58.200 -0.039 0.000 0.927 1136 S CB 0.596 63.763 63.200 -0.055 0.000 0.774 1136 S HN 0.368 nan 8.310 nan 0.000 0.524 1137 A N 0.725 123.527 122.820 -0.029 0.000 2.275 1137 A HA 0.438 4.760 4.320 0.003 0.000 0.212 1137 A C 1.587 179.165 177.584 -0.010 0.000 1.201 1137 A CA 0.057 52.082 52.037 -0.021 0.000 0.843 1137 A CB -0.296 18.685 19.000 -0.031 0.000 0.873 1137 A HN 0.528 nan 8.150 nan 0.000 0.492 1138 I N -1.065 119.503 120.570 -0.003 0.000 3.345 1138 I HA 0.107 4.278 4.170 0.003 0.000 0.258 1138 I C 0.947 177.083 176.117 0.031 0.000 1.134 1138 I CA 0.159 61.461 61.300 0.005 0.000 1.457 1138 I CB -1.406 36.592 38.000 -0.003 0.000 1.425 1138 I HN 0.338 nan 8.210 nan 0.000 0.461 1139 E N 1.968 122.196 120.200 0.046 0.000 2.653 1139 E HA -0.197 4.155 4.350 0.003 0.000 0.264 1139 E C -0.146 176.526 176.600 0.119 0.000 0.949 1139 E CA 0.400 56.848 56.400 0.080 0.000 0.953 1139 E CB 0.263 30.018 29.700 0.091 0.000 0.925 1139 E HN 0.149 nan 8.360 nan 0.000 0.475 1140 H N 2.412 121.483 119.070 0.002 0.000 2.610 1140 H HA 0.301 4.858 4.556 0.003 0.000 0.336 1140 H C -1.075 174.249 175.328 -0.006 0.000 1.087 1140 H CA -0.155 55.888 56.048 -0.008 0.000 1.405 1140 H CB 0.933 30.688 29.762 -0.012 0.000 1.460 1140 H HN 0.338 nan 8.280 nan 0.000 0.538 1141 T N 5.184 119.586 114.554 -0.254 0.000 2.965 1141 T HA 0.251 4.602 4.350 0.003 0.000 0.306 1141 T C -0.432 174.029 174.700 -0.398 0.000 0.991 1141 T CA -0.877 61.049 62.100 -0.290 0.000 1.001 1141 T CB 0.522 69.329 68.868 -0.103 0.000 0.984 1141 T HN 0.718 nan 8.240 nan 0.000 0.446 1142 T N 1.321 115.611 114.554 -0.440 0.000 2.899 1142 T HA 0.392 4.744 4.350 0.003 0.000 0.284 1142 T C 1.374 175.994 174.700 -0.134 0.000 1.004 1142 T CA -0.912 61.030 62.100 -0.262 0.000 1.043 1142 T CB 0.935 69.681 68.868 -0.204 0.000 1.013 1142 T HN 0.211 nan 8.240 nan 0.000 0.518 1143 L N 0.990 122.166 121.223 -0.078 0.000 2.083 1143 L HA 0.020 4.362 4.340 0.003 0.000 0.209 1143 L C 2.569 179.413 176.870 -0.044 0.000 1.083 1143 L CA 1.808 56.618 54.840 -0.050 0.000 0.752 1143 L CB -1.138 40.907 42.059 -0.023 0.000 0.899 1143 L HN 0.916 nan 8.230 nan 0.000 0.433 1144 K N -0.471 119.904 120.400 -0.042 0.000 2.089 1144 K HA -0.218 4.103 4.320 0.003 0.000 0.210 1144 K C 1.837 178.414 176.600 -0.039 0.000 1.048 1144 K CA 1.854 58.123 56.287 -0.031 0.000 0.926 1144 K CB -0.305 32.177 32.500 -0.029 0.000 0.714 1144 K HN 0.583 nan 8.250 nan 0.000 0.448 1145 S N -0.446 115.218 115.700 -0.060 0.000 2.603 1145 S HA -0.011 4.460 4.470 0.003 0.000 0.229 1145 S C 1.297 175.869 174.600 -0.047 0.000 0.972 1145 S CA 0.642 58.806 58.200 -0.059 0.000 0.935 1145 S CB 0.198 63.346 63.200 -0.086 0.000 0.769 1145 S HN 0.255 nan 8.310 nan 0.000 0.536 1146 V N -2.355 117.535 119.914 -0.041 0.000 3.426 1146 V HA 0.262 4.384 4.120 0.003 0.000 0.279 1146 V C 0.363 176.445 176.094 -0.020 0.000 1.544 1146 V CA -0.127 62.154 62.300 -0.032 0.000 1.017 1146 V CB -0.689 31.110 31.823 -0.040 0.000 0.821 1146 V HN 0.379 nan 8.190 nan 0.000 0.432 1147 T N 2.172 116.717 114.554 -0.015 0.000 2.869 1147 T HA 0.499 4.850 4.350 0.003 0.000 0.295 1147 T C 1.267 175.968 174.700 0.001 0.000 0.987 1147 T CA -0.228 61.871 62.100 -0.003 0.000 1.109 1147 T CB 2.053 70.923 68.868 0.004 0.000 0.932 1147 T HN -0.032 nan 8.240 nan 0.000 0.518 1148 I N 1.160 121.735 120.570 0.008 0.000 2.130 1148 I HA 0.155 4.327 4.170 0.003 0.000 0.232 1148 I C 1.374 177.502 176.117 0.018 0.000 1.064 1148 I CA 0.894 62.201 61.300 0.012 0.000 1.338 1148 I CB -0.963 37.047 38.000 0.016 0.000 1.084 1148 I HN 0.703 nan 8.210 nan 0.000 0.404 1149 A N 0.379 123.216 122.820 0.028 0.000 2.475 1149 A HA 0.584 4.906 4.320 0.003 0.000 0.301 1149 A C -0.429 177.184 177.584 0.049 0.000 1.059 1149 A CA -0.315 51.745 52.037 0.039 0.000 0.710 1149 A CB 1.425 20.455 19.000 0.049 0.000 1.288 1149 A HN 0.322 nan 8.150 nan 0.000 0.408 1150 S N 1.486 117.217 115.700 0.051 0.000 2.596 1150 S HA 0.708 5.180 4.470 0.003 0.000 0.318 1150 S C -0.860 173.790 174.600 0.084 0.000 1.097 1150 S CA -0.558 57.678 58.200 0.061 0.000 1.080 1150 S CB 0.827 64.054 63.200 0.044 0.000 0.991 1150 S HN 0.655 nan 8.310 nan 0.000 0.471 1151 E N 2.293 122.574 120.200 0.136 0.000 2.288 1151 E HA 0.619 4.970 4.350 0.003 0.000 0.268 1151 E C -1.272 175.490 176.600 0.271 0.000 0.885 1151 E CA -0.829 55.697 56.400 0.211 0.000 0.767 1151 E CB 1.917 31.857 29.700 0.400 0.000 1.220 1151 E HN 0.557 nan 8.360 nan 0.000 0.427 1152 I N 2.136 122.840 120.570 0.223 0.000 2.412 1152 I HA 0.332 4.503 4.170 0.003 0.000 0.296 1152 I C -1.097 175.222 176.117 0.336 0.000 0.987 1152 I CA -0.347 61.106 61.300 0.255 0.000 1.180 1152 I CB 0.616 38.654 38.000 0.064 0.000 1.340 1152 I HN 0.438 nan 8.210 nan 0.000 0.455 1153 Y N 4.031 124.463 120.300 0.220 0.000 2.633 1153 Y HA 0.404 4.955 4.550 0.003 0.000 0.339 1153 Y C -0.967 175.223 175.900 0.483 0.000 1.045 1153 Y CA -0.968 57.296 58.100 0.273 0.000 1.098 1153 Y CB 1.351 39.909 38.460 0.164 0.000 1.296 1153 Y HN 0.366 nan 8.280 nan 0.000 0.494 1154 Y N 1.794 122.343 120.300 0.415 0.000 2.434 1154 Y HA 0.399 4.951 4.550 0.003 0.000 0.341 1154 Y C -0.998 174.935 175.900 0.055 0.000 0.965 1154 Y CA -0.591 57.584 58.100 0.125 0.000 1.205 1154 Y CB 0.487 38.933 38.460 -0.024 0.000 1.121 1154 Y HN 0.525 nan 8.280 nan 0.000 0.507 1155 D N 8.392 128.628 120.400 -0.273 0.000 2.389 1155 D HA 0.312 4.954 4.640 0.003 0.000 0.256 1155 D C -2.159 173.862 176.300 -0.465 0.000 1.239 1155 D CA -1.931 51.923 54.000 -0.243 0.000 0.925 1155 D CB 1.754 42.506 40.800 -0.080 0.000 1.145 1155 D HN 0.269 nan 8.370 nan 0.000 0.542 1156 P HA 0.069 nan 4.420 nan 0.000 0.228 1156 P C 0.048 177.186 177.300 -0.271 0.000 1.166 1156 P CA 0.133 62.911 63.100 -0.537 0.000 0.812 1156 P CB 0.471 31.877 31.700 -0.490 0.000 0.857 1157 D N 1.069 121.357 120.400 -0.187 0.000 2.453 1157 D HA 0.141 4.782 4.640 0.003 0.000 0.223 1157 D C -1.616 174.610 176.300 -0.123 0.000 1.183 1157 D CA -2.327 51.597 54.000 -0.126 0.000 0.933 1157 D CB 0.606 41.358 40.800 -0.081 0.000 1.038 1157 D HN -0.030 nan 8.370 nan 0.000 0.513 1158 P HA -0.096 nan 4.420 nan 0.000 0.218 1158 P C 1.241 178.479 177.300 -0.102 0.000 1.149 1158 P CA 0.687 63.707 63.100 -0.133 0.000 0.817 1158 P CB 0.296 31.895 31.700 -0.169 0.000 0.785 1159 R N -0.743 119.698 120.500 -0.098 0.000 2.189 1159 R HA 0.156 4.497 4.340 0.003 0.000 0.218 1159 R C 0.315 176.580 176.300 -0.059 0.000 1.074 1159 R CA 0.869 56.920 56.100 -0.083 0.000 0.991 1159 R CB -0.555 29.690 30.300 -0.092 0.000 0.883 1159 R HN 0.174 nan 8.270 nan 0.000 0.457 1160 S N 0.142 115.809 115.700 -0.056 0.000 2.614 1160 S HA 0.245 4.716 4.470 0.003 0.000 0.275 1160 S C -0.384 174.194 174.600 -0.036 0.000 1.161 1160 S CA -0.737 57.440 58.200 -0.039 0.000 0.969 1160 S CB 2.595 65.775 63.200 -0.033 0.000 1.059 1160 S HN 0.097 nan 8.310 nan 0.000 0.482 1161 T N 0.766 115.305 114.554 -0.026 0.000 2.667 1161 T HA 0.270 4.622 4.350 0.003 0.000 0.305 1161 T C 1.034 175.732 174.700 -0.003 0.000 1.022 1161 T CA -0.520 61.567 62.100 -0.022 0.000 0.995 1161 T CB 0.371 69.226 68.868 -0.022 0.000 1.026 1161 T HN 0.347 nan 8.240 nan 0.000 0.527 1162 V N -0.214 119.711 119.914 0.017 0.000 3.528 1162 V HA 0.301 4.423 4.120 0.003 0.000 0.294 1162 V C 0.270 176.398 176.094 0.057 0.000 1.404 1162 V CA 0.063 62.391 62.300 0.046 0.000 1.065 1162 V CB -0.530 31.340 31.823 0.078 0.000 0.904 1162 V HN 0.631 nan 8.190 nan 0.000 0.435 1163 I N 2.393 122.982 120.570 0.032 0.000 2.392 1163 I HA 0.297 4.469 4.170 0.003 0.000 0.295 1163 I C -0.991 175.136 176.117 0.017 0.000 0.985 1163 I CA -1.672 59.645 61.300 0.028 0.000 1.221 1163 I CB 2.276 40.263 38.000 -0.021 0.000 1.366 1163 I HN 0.010 nan 8.210 nan 0.000 0.467 1164 P HA -0.044 nan 4.420 nan 0.000 0.219 1164 P C 0.703 178.012 177.300 0.015 0.000 1.154 1164 P CA 1.130 64.242 63.100 0.020 0.000 0.826 1164 P CB 0.251 31.967 31.700 0.026 0.000 0.795 1165 E N -0.307 119.902 120.200 0.015 0.000 2.511 1165 E HA -0.045 4.306 4.350 0.003 0.000 0.196 1165 E C 0.405 177.008 176.600 0.006 0.000 1.066 1165 E CA 0.404 56.812 56.400 0.013 0.000 0.871 1165 E CB -0.294 29.416 29.700 0.016 0.000 0.863 1165 E HN 0.237 nan 8.360 nan 0.000 0.520 1166 D N -0.100 120.299 120.400 -0.002 0.000 2.431 1166 D HA -0.019 4.622 4.640 0.003 0.000 0.213 1166 D C 1.199 177.498 176.300 -0.000 0.000 1.130 1166 D CA -0.019 53.976 54.000 -0.008 0.000 0.834 1166 D CB 0.270 41.050 40.800 -0.034 0.000 0.985 1166 D HN 0.123 nan 8.370 nan 0.000 0.504 1167 E N 1.269 121.472 120.200 0.005 0.000 2.021 1167 E HA -0.291 4.061 4.350 0.003 0.000 0.200 1167 E C 1.648 178.257 176.600 0.014 0.000 1.015 1167 E CA 1.217 57.621 56.400 0.008 0.000 0.824 1167 E CB 0.145 29.851 29.700 0.010 0.000 0.762 1167 E HN 0.301 nan 8.360 nan 0.000 0.454 1168 E N -0.198 120.013 120.200 0.018 0.000 2.049 1168 E HA -0.228 4.123 4.350 0.003 0.000 0.198 1168 E C 2.153 178.772 176.600 0.032 0.000 1.007 1168 E CA 1.514 57.929 56.400 0.025 0.000 0.809 1168 E CB -0.129 29.585 29.700 0.024 0.000 0.749 1168 E HN 0.256 nan 8.360 nan 0.000 0.450 1169 I N 1.148 121.735 120.570 0.029 0.000 2.567 1169 I HA -0.249 3.923 4.170 0.003 0.000 0.257 1169 I C 1.897 178.041 176.117 0.045 0.000 1.184 1169 I CA 0.616 61.937 61.300 0.036 0.000 1.451 1169 I CB -0.146 37.873 38.000 0.032 0.000 1.089 1169 I HN 0.271 nan 8.210 nan 0.000 0.441 1170 I N -0.490 120.102 120.570 0.037 0.000 2.233 1170 I HA -0.236 3.936 4.170 0.003 0.000 0.243 1170 I C 2.349 178.513 176.117 0.078 0.000 1.093 1170 I CA 1.126 62.454 61.300 0.046 0.000 1.380 1170 I CB -1.417 36.593 38.000 0.016 0.000 1.067 1170 I HN 0.325 nan 8.210 nan 0.000 0.413 1171 Q N 0.945 120.786 119.800 0.068 0.000 2.082 1171 Q HA -0.182 4.160 4.340 0.003 0.000 0.211 1171 Q C 0.791 176.908 176.000 0.196 0.000 1.002 1171 Q CA 1.491 57.352 55.803 0.097 0.000 0.868 1171 Q CB -0.357 28.427 28.738 0.078 0.000 0.931 1171 Q HN 0.548 nan 8.270 nan 0.000 0.414 1172 L N -1.962 119.352 121.223 0.151 0.000 2.360 1172 L HA 0.446 4.788 4.340 0.003 0.000 0.265 1172 L C -0.239 176.698 176.870 0.110 0.000 1.066 1172 L CA -0.320 54.595 54.840 0.125 0.000 0.929 1172 L CB 0.848 42.913 42.059 0.012 0.000 1.306 1172 L HN 0.053 nan 8.230 nan 0.000 0.434 1173 H N 4.495 123.650 119.070 0.141 0.000 3.083 1173 H HA 0.195 4.752 4.556 0.003 0.000 0.217 1173 H C -0.855 174.596 175.328 0.206 0.000 1.397 1173 H CA -0.374 55.710 56.048 0.061 0.000 1.248 1173 H CB 0.794 30.530 29.762 -0.043 0.000 2.199 1173 H HN 0.824 nan 8.280 nan 0.000 0.521 1174 F N -0.666 119.305 119.950 0.034 0.000 2.791 1174 F HA 0.530 5.059 4.527 0.003 0.000 0.316 1174 F C -0.352 175.434 175.800 -0.024 0.000 1.134 1174 F CA -0.641 57.380 58.000 0.035 0.000 1.222 1174 F CB 0.455 39.471 39.000 0.028 0.000 1.034 1174 F HN -0.035 nan 8.300 nan 0.000 0.516 1175 S N 1.618 117.079 115.700 -0.399 0.000 2.503 1175 S HA 0.689 5.160 4.470 0.003 0.000 0.301 1175 S C -0.774 173.659 174.600 -0.279 0.000 1.087 1175 S CA -0.589 57.336 58.200 -0.458 0.000 1.042 1175 S CB 1.680 64.580 63.200 -0.500 0.000 1.043 1175 S HN 0.485 nan 8.310 nan 0.000 0.489 1188 Q N 0.437 120.167 119.800 -0.117 0.000 3.050 1188 Q HA 0.698 5.040 4.340 0.003 0.000 0.256 1188 Q C -0.227 175.731 176.000 -0.070 0.000 1.161 1188 Q CA -0.141 55.599 55.803 -0.105 0.000 0.329 1188 Q CB 0.271 28.910 28.738 -0.165 0.000 5.721 1188 Q HN 0.046 nan 8.270 nan 0.000 0.326 1189 S N -0.449 115.203 115.700 -0.080 0.000 2.547 1189 S HA 0.280 4.751 4.470 0.003 0.000 0.270 1189 S C -2.437 172.067 174.600 -0.160 0.000 1.150 1189 S CA -1.279 56.877 58.200 -0.072 0.000 0.850 1189 S CB 1.449 64.666 63.200 0.029 0.000 1.118 1189 S HN 0.249 nan 8.310 nan 0.000 0.461 1190 P HA 0.097 nan 4.420 nan 0.000 0.236 1190 P C -0.342 176.596 177.300 -0.602 0.000 1.177 1190 P CA 0.348 63.084 63.100 -0.606 0.000 0.773 1190 P CB -0.030 31.111 31.700 -0.931 0.000 0.878 1191 W N 1.404 122.634 121.300 -0.117 0.000 2.433 1191 W HA 0.346 5.008 4.660 0.003 0.000 0.331 1191 W C 0.472 176.977 176.519 -0.024 0.000 1.110 1191 W CA -1.119 56.205 57.345 -0.036 0.000 1.450 1191 W CB 0.241 29.713 29.460 0.020 0.000 1.348 1191 W HN -0.104 nan 8.180 nan 0.000 0.415 1192 L N 5.657 127.029 121.223 0.249 0.000 2.395 1192 L HA 0.515 4.856 4.340 0.003 0.000 0.269 1192 L C -0.675 176.311 176.870 0.194 0.000 1.133 1192 L CA -0.446 54.486 54.840 0.153 0.000 0.812 1192 L CB 0.495 42.603 42.059 0.080 0.000 1.125 1192 L HN 0.337 nan 8.230 nan 0.000 0.452 1193 L N 5.448 126.739 121.223 0.113 0.000 2.356 1193 L HA 0.582 4.924 4.340 0.003 0.000 0.277 1193 L C -0.874 176.031 176.870 0.057 0.000 0.996 1193 L CA -0.376 54.525 54.840 0.101 0.000 0.822 1193 L CB 1.320 43.417 42.059 0.064 0.000 1.256 1193 L HN 0.816 nan 8.230 nan 0.000 0.413 1194 R N 6.006 126.540 120.500 0.057 0.000 2.487 1194 R HA 0.542 4.883 4.340 0.003 0.000 0.288 1194 R C -1.616 174.702 176.300 0.030 0.000 1.394 1194 R CA -0.564 55.533 56.100 -0.005 0.000 1.155 1194 R CB 0.466 30.673 30.300 -0.155 0.000 1.156 1194 R HN 0.783 nan 8.270 nan 0.000 0.553 1195 L N 2.696 123.941 121.223 0.038 0.000 2.331 1195 L HA 0.387 4.729 4.340 0.003 0.000 0.278 1195 L C 0.429 177.318 176.870 0.032 0.000 1.106 1195 L CA -0.208 54.656 54.840 0.040 0.000 0.824 1195 L CB 1.029 43.111 42.059 0.039 0.000 1.142 1195 L HN 0.533 nan 8.230 nan 0.000 0.443 1196 E N 3.756 123.975 120.200 0.032 0.000 2.231 1196 E HA 0.604 4.956 4.350 0.003 0.000 0.277 1196 E C -1.392 175.220 176.600 0.020 0.000 0.999 1196 E CA -0.692 55.724 56.400 0.027 0.000 0.827 1196 E CB 1.407 31.125 29.700 0.031 0.000 1.101 1196 E HN 0.510 nan 8.360 nan 0.000 0.393 1197 L N 2.801 124.033 121.223 0.015 0.000 2.342 1197 L HA 0.309 4.650 4.340 0.003 0.000 0.271 1197 L C 0.025 176.897 176.870 0.003 0.000 1.008 1197 L CA -1.072 53.771 54.840 0.005 0.000 0.818 1197 L CB 1.772 43.829 42.059 -0.005 0.000 1.296 1197 L HN 0.617 nan 8.230 nan 0.000 0.427 1198 D N 1.374 121.773 120.400 -0.002 0.000 2.458 1198 D HA -0.031 4.611 4.640 0.003 0.000 0.243 1198 D C 0.934 177.232 176.300 -0.003 0.000 1.146 1198 D CA 0.167 54.165 54.000 -0.002 0.000 0.877 1198 D CB 1.330 42.127 40.800 -0.006 0.000 1.176 1198 D HN 0.452 nan 8.370 nan 0.000 0.461 1199 R N 3.450 123.950 120.500 0.000 0.000 2.096 1199 R HA -0.114 4.228 4.340 0.003 0.000 0.235 1199 R C 1.746 178.045 176.300 -0.002 0.000 1.127 1199 R CA 1.925 58.025 56.100 0.000 0.000 0.968 1199 R CB -0.105 30.197 30.300 0.004 0.000 0.861 1199 R HN 0.469 nan 8.270 nan 0.000 0.440 1200 A N 0.048 122.867 122.820 -0.002 0.000 1.911 1200 A HA 0.222 4.543 4.320 0.003 0.000 0.212 1200 A C 2.126 179.709 177.584 -0.002 0.000 1.189 1200 A CA 0.822 52.859 52.037 -0.001 0.000 0.639 1200 A CB -0.594 18.406 19.000 -0.000 0.000 0.839 1200 A HN 0.417 nan 8.150 nan 0.000 0.449 1201 A N -0.856 121.961 122.820 -0.006 0.000 2.264 1201 A HA 0.106 4.428 4.320 0.003 0.000 0.207 1201 A C 1.632 179.210 177.584 -0.010 0.000 1.196 1201 A CA 1.019 53.052 52.037 -0.007 0.000 0.778 1201 A CB -0.473 18.518 19.000 -0.015 0.000 0.779 1201 A HN 0.409 nan 8.150 nan 0.000 0.483 1202 M N -0.715 118.878 119.600 -0.012 0.000 2.441 1202 M HA 0.108 4.590 4.480 0.003 0.000 0.244 1202 M C 0.868 177.160 176.300 -0.014 0.000 1.122 1202 M CA 0.438 55.727 55.300 -0.019 0.000 1.041 1202 M CB -0.780 31.806 32.600 -0.024 0.000 1.438 1202 M HN 0.462 nan 8.290 nan 0.000 0.484 1203 N N 0.220 118.917 118.700 -0.005 0.000 2.414 1203 N HA -0.057 4.684 4.740 0.003 0.000 0.177 1203 N C 0.982 176.496 175.510 0.008 0.000 1.062 1203 N CA 0.420 53.468 53.050 -0.003 0.000 0.890 1203 N CB 0.519 39.005 38.487 -0.001 0.000 1.070 1203 N HN 0.288 nan 8.380 nan 0.000 0.454 1204 D N 1.739 122.152 120.400 0.021 0.000 2.096 1204 D HA -0.065 4.576 4.640 0.003 0.000 0.200 1204 D C 0.448 176.785 176.300 0.061 0.000 0.980 1204 D CA 1.296 55.331 54.000 0.058 0.000 0.860 1204 D CB 0.230 41.063 40.800 0.055 0.000 1.005 1204 D HN 0.046 nan 8.370 nan 0.000 0.449 1205 K N 0.711 121.140 120.400 0.049 0.000 2.219 1205 K HA 0.165 4.487 4.320 0.003 0.000 0.258 1205 K C -0.782 175.814 176.600 -0.007 0.000 1.008 1205 K CA -0.268 56.036 56.287 0.027 0.000 0.928 1205 K CB 0.405 32.915 32.500 0.017 0.000 0.983 1205 K HN 0.131 nan 8.250 nan 0.000 0.484 1206 D N 2.287 122.672 120.400 -0.024 0.000 2.479 1206 D HA 0.285 4.927 4.640 0.003 0.000 0.218 1206 D C -0.481 175.795 176.300 -0.041 0.000 1.131 1206 D CA -0.042 53.937 54.000 -0.035 0.000 0.916 1206 D CB 0.122 40.895 40.800 -0.045 0.000 1.022 1206 D HN 0.223 nan 8.370 nan 0.000 0.515 1207 L N 1.250 122.448 121.223 -0.042 0.000 2.381 1207 L HA 0.522 4.864 4.340 0.003 0.000 0.268 1207 L C 0.228 177.061 176.870 -0.062 0.000 0.997 1207 L CA -0.784 54.022 54.840 -0.057 0.000 0.818 1207 L CB 2.337 44.360 42.059 -0.060 0.000 1.310 1207 L HN 0.176 nan 8.230 nan 0.000 0.416 1208 T N -1.353 113.151 114.554 -0.082 0.000 2.829 1208 T HA 0.336 4.687 4.350 0.003 0.000 0.280 1208 T C 1.195 175.806 174.700 -0.148 0.000 0.999 1208 T CA -0.902 61.144 62.100 -0.090 0.000 0.983 1208 T CB 1.712 70.534 68.868 -0.076 0.000 0.968 1208 T HN 0.381 nan 8.240 nan 0.000 0.446 1209 M N 2.259 121.771 119.600 -0.147 0.000 2.204 1209 M HA -0.152 4.329 4.480 0.003 0.000 0.255 1209 M C 2.554 178.548 176.300 -0.510 0.000 1.073 1209 M CA 2.609 57.763 55.300 -0.243 0.000 1.084 1209 M CB -2.008 30.510 32.600 -0.137 0.000 1.289 1209 M HN 1.001 nan 8.290 nan 0.000 0.419 1210 G N -0.859 107.649 108.800 -0.487 0.000 2.553 1210 G HA2 -0.331 3.631 3.960 0.003 0.000 0.218 1210 G HA3 -0.331 3.631 3.960 0.003 0.000 0.218 1210 G C 1.401 175.988 174.900 -0.521 0.000 1.195 1210 G CA 1.383 46.119 45.100 -0.608 0.000 0.779 1210 G HN 0.605 nan 8.290 nan 0.000 0.577 1211 Q N -0.448 119.180 119.800 -0.288 0.000 2.197 1211 Q HA -0.183 4.159 4.340 0.003 0.000 0.211 1211 Q C 2.773 178.630 176.000 -0.238 0.000 0.993 1211 Q CA 2.104 57.783 55.803 -0.206 0.000 0.883 1211 Q CB -0.194 28.461 28.738 -0.137 0.000 0.916 1211 Q HN 0.416 nan 8.270 nan 0.000 0.418 1212 V N -0.612 119.125 119.914 -0.295 0.000 2.255 1212 V HA -0.181 3.940 4.120 0.003 0.000 0.243 1212 V C 2.239 178.136 176.094 -0.328 0.000 1.038 1212 V CA 1.834 63.981 62.300 -0.255 0.000 1.008 1212 V CB -1.425 30.264 31.823 -0.224 0.000 0.645 1212 V HN 0.606 nan 8.190 nan 0.000 0.449 1213 G N 0.128 108.537 108.800 -0.652 0.000 2.529 1213 G HA2 -0.285 3.676 3.960 0.003 0.000 0.219 1213 G HA3 -0.285 3.676 3.960 0.003 0.000 0.219 1213 G C 1.445 176.117 174.900 -0.380 0.000 1.177 1213 G CA 1.065 45.652 45.100 -0.855 0.000 0.773 1213 G HN 0.506 nan 8.290 nan 0.000 0.573 1214 E N 0.157 120.141 120.200 -0.360 0.000 2.153 1214 E HA -0.121 4.230 4.350 0.003 0.000 0.194 1214 E C 2.555 179.126 176.600 -0.049 0.000 0.988 1214 E CA 0.826 57.177 56.400 -0.081 0.000 0.811 1214 E CB -0.194 29.469 29.700 -0.060 0.000 0.746 1214 E HN 0.307 nan 8.360 nan 0.000 0.466 1215 R N 0.756 121.201 120.500 -0.092 0.000 2.189 1215 R HA 0.024 4.366 4.340 0.003 0.000 0.218 1215 R C 2.045 178.329 176.300 -0.028 0.000 1.074 1215 R CA 0.551 56.617 56.100 -0.057 0.000 0.991 1215 R CB -0.243 30.015 30.300 -0.071 0.000 0.883 1215 R HN 0.168 nan 8.270 nan 0.000 0.457 1216 I N -0.499 120.069 120.570 -0.003 0.000 2.270 1216 I HA -0.105 4.066 4.170 0.003 0.000 0.239 1216 I C 2.158 178.365 176.117 0.149 0.000 1.080 1216 I CA 0.776 62.124 61.300 0.081 0.000 1.383 1216 I CB -0.339 37.736 38.000 0.125 0.000 1.097 1216 I HN 0.027 nan 8.210 nan 0.000 0.420 1217 K N 0.781 121.273 120.400 0.153 0.000 2.144 1217 K HA -0.303 4.019 4.320 0.003 0.000 0.209 1217 K C 2.161 178.841 176.600 0.133 0.000 1.047 1217 K CA 1.827 58.215 56.287 0.167 0.000 0.927 1217 K CB -0.085 32.510 32.500 0.158 0.000 0.716 1217 K HN 0.348 nan 8.250 nan 0.000 0.454 1218 Q N -0.915 118.929 119.800 0.073 0.000 2.224 1218 Q HA -0.102 4.240 4.340 0.003 0.000 0.203 1218 Q C 1.730 177.729 176.000 -0.002 0.000 0.970 1218 Q CA 1.622 57.445 55.803 0.032 0.000 0.865 1218 Q CB 0.202 28.942 28.738 0.004 0.000 0.922 1218 Q HN 0.390 nan 8.270 nan 0.000 0.445 1219 T N 0.125 114.650 114.554 -0.047 0.000 2.643 1219 T HA -0.074 4.277 4.350 0.003 0.000 0.256 1219 T C 1.358 175.931 174.700 -0.213 0.000 1.061 1219 T CA 1.125 63.092 62.100 -0.222 0.000 1.163 1219 T CB -0.458 68.121 68.868 -0.482 0.000 0.865 1219 T HN 0.189 nan 8.240 nan 0.000 0.407 1220 F N 1.295 121.259 119.950 0.023 0.000 2.259 1220 F HA 0.178 4.707 4.527 0.003 0.000 0.298 1220 F C 1.880 177.698 175.800 0.030 0.000 1.088 1220 F CA 0.650 58.666 58.000 0.027 0.000 1.358 1220 F CB -0.367 38.652 39.000 0.032 0.000 1.040 1220 F HN 0.171 nan 8.300 nan 0.000 0.505 1221 K N -0.361 120.166 120.400 0.213 0.000 8.601 1221 K HA -0.339 3.983 4.320 0.003 0.000 0.358 1221 K C -0.226 176.456 176.600 0.138 0.000 1.033 1221 K CA 1.601 57.969 56.287 0.136 0.000 1.319 1221 K CB -1.522 31.033 32.500 0.091 0.000 0.681 1221 K HN 0.261 nan 8.250 nan 0.000 0.902 1222 N N 1.301 120.073 118.700 0.119 0.000 2.990 1222 N HA 0.206 4.947 4.740 0.003 0.000 0.288 1222 N C -1.529 174.036 175.510 0.091 0.000 1.624 1222 N CA 0.364 53.474 53.050 0.101 0.000 0.961 1222 N CB 0.517 39.051 38.487 0.079 0.000 1.259 1222 N HN 0.404 nan 8.380 nan 0.000 0.489 1223 D N -0.137 120.319 120.400 0.093 0.000 3.091 1223 D HA 0.142 4.784 4.640 0.003 0.000 0.306 1223 D C -0.900 175.384 176.300 -0.026 0.000 1.660 1223 D CA -0.366 53.661 54.000 0.045 0.000 0.795 1223 D CB 0.022 40.852 40.800 0.049 0.000 1.331 1223 D HN 0.044 nan 8.370 nan 0.000 0.490 1224 L N 0.797 122.024 121.223 0.008 0.000 2.752 1224 L HA 0.450 4.792 4.340 0.003 0.000 0.257 1224 L C -1.842 175.066 176.870 0.063 0.000 0.968 1224 L CA -0.732 54.084 54.840 -0.039 0.000 0.953 1224 L CB 1.220 43.132 42.059 -0.245 0.000 1.286 1224 L HN 0.117 nan 8.230 nan 0.000 0.443 1225 F N 5.284 125.201 119.950 -0.056 0.000 2.484 1225 F HA 0.658 5.186 4.527 0.003 0.000 0.360 1225 F C -0.388 175.368 175.800 -0.074 0.000 1.101 1225 F CA 0.245 58.206 58.000 -0.065 0.000 1.251 1225 F CB 0.839 39.789 39.000 -0.082 0.000 1.132 1225 F HN 0.184 nan 8.300 nan 0.000 0.570 1226 V N 7.507 127.003 119.914 -0.697 0.000 2.668 1226 V HA 0.452 4.574 4.120 0.003 0.000 0.304 1226 V C -0.203 175.402 176.094 -0.815 0.000 1.071 1226 V CA -0.809 61.233 62.300 -0.430 0.000 0.894 1226 V CB 1.553 33.367 31.823 -0.015 0.000 1.008 1226 V HN 0.634 nan 8.190 nan 0.000 0.425 1227 I N 3.040 123.263 120.570 -0.579 0.000 3.133 1227 I HA 0.866 5.037 4.170 0.003 0.000 0.311 1227 I C -0.976 174.977 176.117 -0.274 0.000 1.072 1227 I CA -0.652 60.167 61.300 -0.801 0.000 1.015 1227 I CB 2.272 39.988 38.000 -0.474 0.000 1.233 1227 I HN 0.837 nan 8.210 nan 0.000 0.473 1228 W N 0.109 121.378 121.300 -0.052 0.000 3.298 1228 W HA 0.628 5.290 4.660 0.003 0.000 0.302 1228 W C -1.333 175.202 176.519 0.026 0.000 1.255 1228 W CA -0.795 56.543 57.345 -0.012 0.000 1.196 1228 W CB 0.004 29.455 29.460 -0.015 0.000 1.364 1228 W HN 0.223 nan 8.180 nan 0.000 0.566 1229 S N 0.796 116.663 115.700 0.279 0.000 2.600 1229 S HA 0.197 4.669 4.470 0.003 0.000 0.265 1229 S C -0.166 174.569 174.600 0.225 0.000 1.325 1229 S CA -0.325 57.986 58.200 0.183 0.000 1.002 1229 S CB 0.834 64.101 63.200 0.112 0.000 0.921 1229 S HN 0.511 nan 8.310 nan 0.000 0.554 1230 E N -0.309 119.978 120.200 0.145 0.000 2.318 1230 E HA 0.154 4.506 4.350 0.003 0.000 0.265 1230 E C -0.161 176.483 176.600 0.073 0.000 1.069 1230 E CA -0.477 55.995 56.400 0.120 0.000 0.893 1230 E CB 0.708 30.459 29.700 0.085 0.000 1.076 1230 E HN 0.489 nan 8.360 nan 0.000 0.414 1231 D N 1.187 121.618 120.400 0.051 0.000 2.219 1231 D HA -0.127 4.515 4.640 0.003 0.000 0.205 1231 D C 0.812 177.124 176.300 0.020 0.000 0.970 1231 D CA 0.843 54.858 54.000 0.026 0.000 0.851 1231 D CB 0.090 40.895 40.800 0.009 0.000 0.943 1231 D HN 0.336 nan 8.370 nan 0.000 0.488 1232 N N 0.842 119.556 118.700 0.023 0.000 2.207 1232 N HA -0.059 4.682 4.740 0.003 0.000 0.182 1232 N C 0.078 175.599 175.510 0.019 0.000 1.020 1232 N CA 0.542 53.602 53.050 0.017 0.000 0.858 1232 N CB -0.526 37.970 38.487 0.015 0.000 0.991 1232 N HN 0.132 nan 8.380 nan 0.000 0.427 1233 D N 1.173 121.588 120.400 0.025 0.000 2.474 1233 D HA -0.076 4.565 4.640 0.003 0.000 0.232 1233 D C 0.892 177.206 176.300 0.022 0.000 1.177 1233 D CA 0.309 54.325 54.000 0.025 0.000 0.876 1233 D CB 0.754 41.574 40.800 0.032 0.000 1.208 1233 D HN 0.242 nan 8.370 nan 0.000 0.464 1234 E N -0.074 120.138 120.200 0.020 0.000 2.478 1234 E HA -0.086 4.265 4.350 0.003 0.000 0.198 1234 E C 0.021 176.633 176.600 0.019 0.000 1.046 1234 E CA 0.630 57.041 56.400 0.018 0.000 0.870 1234 E CB 0.303 30.013 29.700 0.016 0.000 0.818 1234 E HN 0.166 nan 8.360 nan 0.000 0.527 1235 K N 0.025 120.438 120.400 0.023 0.000 2.464 1235 K HA 0.408 4.729 4.320 0.003 0.000 0.253 1235 K C -1.616 175.003 176.600 0.031 0.000 0.933 1235 K CA -0.522 55.779 56.287 0.024 0.000 0.801 1235 K CB 1.268 33.781 32.500 0.023 0.000 1.271 1235 K HN -0.089 nan 8.250 nan 0.000 0.430 1236 L N 5.845 127.086 121.223 0.030 0.000 2.319 1236 L HA 0.604 4.946 4.340 0.003 0.000 0.281 1236 L C -0.831 176.065 176.870 0.043 0.000 1.005 1236 L CA -0.771 54.092 54.840 0.039 0.000 0.828 1236 L CB 0.943 43.016 42.059 0.024 0.000 1.227 1236 L HN 0.503 nan 8.230 nan 0.000 0.415 1237 I N 3.712 124.322 120.570 0.067 0.000 2.769 1237 I HA 0.532 4.703 4.170 0.003 0.000 0.298 1237 I C -0.783 175.400 176.117 0.109 0.000 1.128 1237 I CA -0.677 60.660 61.300 0.062 0.000 1.031 1237 I CB 2.909 40.931 38.000 0.035 0.000 1.235 1237 I HN 0.303 nan 8.210 nan 0.000 0.423 1238 I N 3.718 124.342 120.570 0.090 0.000 2.465 1238 I HA 0.529 4.700 4.170 0.003 0.000 0.291 1238 I C -0.433 175.724 176.117 0.065 0.000 1.014 1238 I CA -0.653 60.724 61.300 0.129 0.000 1.093 1238 I CB 1.705 39.776 38.000 0.118 0.000 1.267 1238 I HN 0.572 nan 8.210 nan 0.000 0.431 1239 R N 4.694 125.222 120.500 0.046 0.000 2.480 1239 R HA 0.746 5.088 4.340 0.003 0.000 0.306 1239 R C -1.471 174.836 176.300 0.010 0.000 0.958 1239 R CA -0.471 55.632 56.100 0.005 0.000 0.861 1239 R CB 2.081 32.367 30.300 -0.022 0.000 1.171 1239 R HN 0.684 nan 8.270 nan 0.000 0.445 1240 C N 2.387 121.703 119.300 0.027 0.000 2.599 1240 C HA 0.512 4.973 4.460 0.003 0.000 0.354 1240 C C -0.341 174.674 174.990 0.043 0.000 1.092 1240 C CA -1.232 57.805 59.018 0.031 0.000 1.280 1240 C CB 1.174 28.925 27.740 0.018 0.000 1.829 1240 C HN 0.842 nan 8.230 nan 0.000 0.454 1241 R N 1.619 122.160 120.500 0.068 0.000 2.686 1241 R HA 0.786 5.127 4.340 0.003 0.000 0.286 1241 R C -0.408 175.914 176.300 0.036 0.000 0.969 1241 R CA -0.623 55.511 56.100 0.057 0.000 0.898 1241 R CB 1.853 32.180 30.300 0.045 0.000 1.183 1241 R HN 0.564 nan 8.270 nan 0.000 0.456 1242 V N 1.521 121.446 119.914 0.018 0.000 3.503 1242 V HA 0.235 4.356 4.120 0.003 0.000 0.300 1242 V C 0.552 176.651 176.094 0.009 0.000 1.099 1242 V CA -0.319 61.978 62.300 -0.005 0.000 1.117 1242 V CB 0.837 32.662 31.823 0.004 0.000 1.122 1242 V HN 0.444 nan 8.190 nan 0.000 0.476 1255 E N -0.207 120.041 120.200 0.079 0.000 2.305 1255 E HA -0.168 4.184 4.350 0.003 0.000 0.242 1255 E C 0.248 176.896 176.600 0.080 0.000 1.143 1255 E CA 1.027 57.468 56.400 0.068 0.000 0.716 1255 E CB -1.203 28.525 29.700 0.046 0.000 1.255 1255 E HN 0.721 nan 8.360 nan 0.000 0.391 1256 E N 0.174 120.430 120.200 0.092 0.000 2.364 1256 E HA -0.079 4.273 4.350 0.003 0.000 0.196 1256 E C 1.015 177.547 176.600 -0.113 0.000 0.990 1256 E CA 0.163 56.602 56.400 0.064 0.000 0.886 1256 E CB 0.311 30.131 29.700 0.200 0.000 0.866 1256 E HN 0.306 nan 8.360 nan 0.000 0.493 1257 D N -0.067 120.218 120.400 -0.192 0.000 2.263 1257 D HA -0.171 4.471 4.640 0.003 0.000 0.208 1257 D C 1.548 177.724 176.300 -0.207 0.000 0.971 1257 D CA 1.006 54.756 54.000 -0.416 0.000 0.867 1257 D CB 0.060 40.662 40.800 -0.329 0.000 0.929 1257 D HN 0.312 nan 8.370 nan 0.000 0.492 1258 H N 0.080 119.054 119.070 -0.160 0.000 2.415 1258 H HA 0.146 4.704 4.556 0.003 0.000 0.297 1258 H C 1.940 177.219 175.328 -0.081 0.000 1.048 1258 H CA 0.767 56.754 56.048 -0.102 0.000 1.365 1258 H CB 0.040 29.766 29.762 -0.060 0.000 1.421 1258 H HN -0.051 nan 8.280 nan 0.000 0.533 1259 M N -0.273 119.257 119.600 -0.118 0.000 2.288 1259 M HA -0.015 4.467 4.480 0.003 0.000 0.266 1259 M C 0.299 176.518 176.300 -0.135 0.000 1.072 1259 M CA 0.536 55.755 55.300 -0.135 0.000 1.132 1259 M CB 0.208 32.790 32.600 -0.030 0.000 1.386 1259 M HN 0.264 nan 8.290 nan 0.000 0.432 1260 L N 2.029 123.171 121.223 -0.134 0.000 2.436 1260 L HA 0.014 4.356 4.340 0.003 0.000 0.244 1260 L C 0.512 177.310 176.870 -0.120 0.000 1.396 1260 L CA 1.026 55.800 54.840 -0.110 0.000 1.217 1260 L CB -0.939 41.066 42.059 -0.091 0.000 1.420 1260 L HN 0.259 nan 8.230 nan 0.000 0.434 1261 K N -0.204 120.123 120.400 -0.122 0.000 2.432 1261 K HA 0.007 4.328 4.320 0.003 0.000 0.143 1261 K C 1.276 177.810 176.600 -0.110 0.000 2.184 1261 K CA -0.005 56.213 56.287 -0.115 0.000 1.300 1261 K CB 0.070 32.474 32.500 -0.160 0.000 2.435 1261 K HN 0.174 nan 8.250 nan 0.000 0.512 1262 K N 1.023 121.326 120.400 -0.162 0.000 2.589 1262 K HA 0.027 4.348 4.320 0.003 0.000 0.195 1262 K C 1.382 177.979 176.600 -0.005 0.000 1.040 1262 K CA 1.042 57.269 56.287 -0.101 0.000 0.950 1262 K CB 0.082 32.510 32.500 -0.121 0.000 0.781 1262 K HN 0.187 nan 8.250 nan 0.000 0.486 1263 I N -1.247 119.324 120.570 0.002 0.000 4.398 1263 I HA -0.110 4.062 4.170 0.003 0.000 0.310 1263 I C 1.901 178.073 176.117 0.092 0.000 1.232 1263 I CA 0.079 61.427 61.300 0.080 0.000 1.312 1263 I CB 0.455 38.442 38.000 -0.022 0.000 1.347 1263 I HN 0.007 nan 8.210 nan 0.000 0.454 1264 E N 1.067 121.284 120.200 0.029 0.000 2.268 1264 E HA -0.216 4.135 4.350 0.003 0.000 0.195 1264 E C 1.611 178.233 176.600 0.035 0.000 0.995 1264 E CA 1.632 58.053 56.400 0.035 0.000 0.836 1264 E CB -0.238 29.469 29.700 0.011 0.000 0.763 1264 E HN 0.350 nan 8.360 nan 0.000 0.491 1265 N N -0.283 118.431 118.700 0.023 0.000 2.207 1265 N HA -0.060 4.681 4.740 0.003 0.000 0.182 1265 N C 1.347 176.879 175.510 0.036 0.000 1.020 1265 N CA 1.893 54.955 53.050 0.020 0.000 0.858 1265 N CB -0.248 38.240 38.487 0.002 0.000 0.991 1265 N HN 0.240 nan 8.380 nan 0.000 0.427 1266 T N 0.495 115.085 114.554 0.061 0.000 2.833 1266 T HA -0.091 4.260 4.350 0.003 0.000 0.269 1266 T C 1.913 176.657 174.700 0.073 0.000 1.054 1266 T CA 0.912 63.053 62.100 0.069 0.000 1.135 1266 T CB -0.113 68.825 68.868 0.117 0.000 0.869 1266 T HN 0.228 nan 8.240 nan 0.000 0.466 1267 M N 0.402 120.073 119.600 0.119 0.000 2.099 1267 M HA 0.020 4.501 4.480 0.003 0.000 0.262 1267 M C 2.227 178.559 176.300 0.052 0.000 1.067 1267 M CA 1.476 56.845 55.300 0.115 0.000 1.124 1267 M CB -0.522 32.163 32.600 0.141 0.000 1.353 1267 M HN 0.260 nan 8.290 nan 0.000 0.410 1268 L N -0.706 120.540 121.223 0.037 0.000 2.005 1268 L HA -0.159 4.183 4.340 0.003 0.000 0.207 1268 L C 0.711 177.584 176.870 0.005 0.000 1.072 1268 L CA 1.317 56.166 54.840 0.015 0.000 0.744 1268 L CB -0.341 41.725 42.059 0.011 0.000 0.895 1268 L HN 0.245 nan 8.230 nan 0.000 0.433 1269 E N -0.241 119.966 120.200 0.012 0.000 3.269 1269 E HA 0.174 4.525 4.350 0.003 0.000 0.221 1269 E C -0.158 176.451 176.600 0.015 0.000 1.113 1269 E CA -0.066 56.342 56.400 0.012 0.000 1.385 1269 E CB 0.372 30.079 29.700 0.012 0.000 1.345 1269 E HN 0.224 nan 8.360 nan 0.000 0.435 1270 N N 0.314 119.020 118.700 0.009 0.000 1.872 1270 N HA 0.050 4.791 4.740 0.003 0.000 0.223 1270 N C -0.732 174.769 175.510 -0.015 0.000 1.424 1270 N CA 0.028 53.077 53.050 -0.003 0.000 0.710 1270 N CB 1.023 39.496 38.487 -0.024 0.000 1.074 1270 N HN 0.156 nan 8.380 nan 0.000 0.544 1271 I N 2.434 122.999 120.570 -0.009 0.000 2.291 1271 I HA 0.193 4.365 4.170 0.003 0.000 0.290 1271 I C 0.298 176.424 176.117 0.015 0.000 1.050 1271 I CA 0.297 61.586 61.300 -0.019 0.000 1.245 1271 I CB 0.721 38.709 38.000 -0.020 0.000 1.405 1271 I HN -0.211 nan 8.210 nan 0.000 0.478 1272 T N 7.556 122.137 114.554 0.044 0.000 2.832 1272 T HA 0.249 4.600 4.350 0.003 0.000 0.296 1272 T C 1.039 175.757 174.700 0.030 0.000 0.968 1272 T CA -0.114 62.053 62.100 0.112 0.000 1.107 1272 T CB 1.290 70.236 68.868 0.130 0.000 0.916 1272 T HN 0.324 nan 8.240 nan 0.000 0.517 1273 L N 3.983 125.212 121.223 0.011 0.000 2.667 1273 L HA 0.383 4.725 4.340 0.003 0.000 0.232 1273 L C 0.861 177.723 176.870 -0.014 0.000 1.138 1273 L CA 0.225 55.050 54.840 -0.024 0.000 0.921 1273 L CB -0.330 41.697 42.059 -0.053 0.000 1.180 1273 L HN 0.705 nan 8.230 nan 0.000 0.487 1274 R N -2.717 117.796 120.500 0.022 0.000 5.352 1274 R HA 0.331 4.673 4.340 0.003 0.000 0.234 1274 R C -0.391 175.950 176.300 0.068 0.000 0.917 1274 R CA -0.213 55.900 56.100 0.021 0.000 1.197 1274 R CB -0.961 29.338 30.300 -0.003 0.000 1.331 1274 R HN 0.233 nan 8.270 nan 0.000 0.650 1275 G N 0.041 108.866 108.800 0.042 0.000 2.660 1275 G HA2 0.046 4.008 3.960 0.003 0.000 0.247 1275 G HA3 0.046 4.008 3.960 0.003 0.000 0.247 1275 G C -1.094 173.816 174.900 0.016 0.000 1.328 1275 G CA -0.467 44.662 45.100 0.049 0.000 0.884 1275 G HN 1.187 nan 8.290 nan 0.000 0.531 1276 V N 1.200 121.104 119.914 -0.018 0.000 2.483 1276 V HA 0.564 4.686 4.120 0.003 0.000 0.295 1276 V C 0.906 176.848 176.094 -0.253 0.000 1.035 1276 V CA -0.066 62.173 62.300 -0.102 0.000 0.896 1276 V CB 1.401 33.183 31.823 -0.067 0.000 0.986 1276 V HN 1.101 nan 8.190 nan 0.000 0.447 1277 E N 4.169 124.143 120.200 -0.378 0.000 2.425 1277 E HA 0.106 4.457 4.350 0.003 0.000 0.258 1277 E C 0.206 176.650 176.600 -0.260 0.000 1.151 1277 E CA 0.008 56.084 56.400 -0.540 0.000 0.958 1277 E CB 0.267 29.753 29.700 -0.356 0.000 0.968 1277 E HN 0.691 nan 8.360 nan 0.000 0.451 1278 N N -1.106 117.485 118.700 -0.183 0.000 1.823 1278 N HA -0.239 4.502 4.740 0.003 0.000 0.214 1278 N C 0.085 175.580 175.510 -0.025 0.000 0.706 1278 N CA 1.646 54.653 53.050 -0.071 0.000 4.239 1278 N CB -1.508 36.937 38.487 -0.070 0.000 0.705 1278 N HN 0.504 nan 8.380 nan 0.000 0.239 1279 I N 3.206 123.759 120.570 -0.030 0.000 2.906 1279 I HA -0.113 4.058 4.170 0.003 0.000 0.302 1279 I C 1.309 177.465 176.117 0.066 0.000 1.220 1279 I CA 1.257 62.565 61.300 0.012 0.000 1.441 1279 I CB 0.299 38.305 38.000 0.010 0.000 1.336 1279 I HN 0.242 nan 8.210 nan 0.000 0.565 1280 E N 5.068 125.298 120.200 0.050 0.000 3.491 1280 E HA 0.409 4.760 4.350 0.003 0.000 0.337 1280 E C -0.275 176.350 176.600 0.042 0.000 0.545 1280 E CA -0.426 56.005 56.400 0.052 0.000 2.130 1280 E CB 0.261 29.979 29.700 0.029 0.000 2.087 1280 E HN 0.494 nan 8.360 nan 0.000 0.434 1281 R N 0.281 120.791 120.500 0.017 0.000 2.570 1281 R HA 0.360 4.702 4.340 0.003 0.000 0.277 1281 R C -0.791 175.541 176.300 0.053 0.000 1.039 1281 R CA -0.218 55.887 56.100 0.009 0.000 1.065 1281 R CB 0.032 30.305 30.300 -0.045 0.000 0.964 1281 R HN 0.014 nan 8.270 nan 0.000 0.428 1282 V N 3.283 123.267 119.914 0.118 0.000 2.735 1282 V HA 0.448 4.570 4.120 0.003 0.000 0.310 1282 V C -0.461 175.737 176.094 0.173 0.000 1.061 1282 V CA -0.965 61.404 62.300 0.115 0.000 0.913 1282 V CB 2.106 33.977 31.823 0.081 0.000 1.005 1282 V HN 0.651 nan 8.190 nan 0.000 0.428 1283 V N 3.893 123.878 119.914 0.119 0.000 2.588 1283 V HA 0.474 4.595 4.120 0.003 0.000 0.304 1283 V C 0.079 176.238 176.094 0.109 0.000 1.042 1283 V CA -0.765 61.615 62.300 0.135 0.000 0.877 1283 V CB 1.991 33.891 31.823 0.128 0.000 0.996 1283 V HN 0.810 nan 8.190 nan 0.000 0.425 1284 M N 4.712 124.394 119.600 0.137 0.000 2.252 1284 M HA 0.374 4.856 4.480 0.003 0.000 0.348 1284 M C -0.503 175.952 176.300 0.258 0.000 1.334 1284 M CA 0.754 56.205 55.300 0.252 0.000 1.071 1284 M CB 0.193 33.002 32.600 0.349 0.000 1.763 1284 M HN 0.731 nan 8.290 nan 0.000 0.452 1285 M N 2.961 122.694 119.600 0.222 0.000 2.322 1285 M HA 0.284 4.766 4.480 0.003 0.000 0.286 1285 M C -0.985 175.297 176.300 -0.031 0.000 1.111 1285 M CA -0.287 55.072 55.300 0.098 0.000 0.941 1285 M CB 2.284 34.988 32.600 0.174 0.000 1.671 1285 M HN 0.554 nan 8.290 nan 0.000 0.470 1286 K N 3.924 124.192 120.400 -0.219 0.000 2.184 1286 K HA 0.285 4.606 4.320 0.003 0.000 0.259 1286 K C -1.629 174.971 176.600 -0.000 0.000 1.119 1286 K CA -0.147 55.911 56.287 -0.381 0.000 0.991 1286 K CB 0.204 32.288 32.500 -0.695 0.000 1.522 1286 K HN 0.725 nan 8.250 nan 0.000 0.405 1287 Y N 2.424 122.657 120.300 -0.112 0.000 2.402 1287 Y HA -0.033 4.518 4.550 0.003 0.000 0.333 1287 Y C 0.887 176.774 175.900 -0.022 0.000 1.076 1287 Y CA -0.940 57.146 58.100 -0.023 0.000 1.299 1287 Y CB 0.634 39.138 38.460 0.073 0.000 1.197 1287 Y HN 0.468 nan 8.280 nan 0.000 0.517 1288 D N 3.980 124.420 120.400 0.067 0.000 2.423 1288 D HA 0.073 4.715 4.640 0.003 0.000 0.238 1288 D C -0.194 176.152 176.300 0.076 0.000 1.142 1288 D CA 0.570 54.593 54.000 0.038 0.000 0.884 1288 D CB 0.740 41.536 40.800 -0.007 0.000 1.199 1288 D HN 0.513 nan 8.370 nan 0.000 0.438 1289 R N 1.954 122.493 120.500 0.066 0.000 2.549 1289 R HA 0.114 4.455 4.340 0.003 0.000 0.291 1289 R C -0.684 175.659 176.300 0.072 0.000 1.164 1289 R CA -0.648 55.495 56.100 0.072 0.000 0.973 1289 R CB 0.981 31.332 30.300 0.085 0.000 1.210 1289 R HN 0.259 nan 8.270 nan 0.000 0.422 1290 K N 2.580 123.024 120.400 0.073 0.000 2.412 1290 K HA 0.288 4.610 4.320 0.003 0.000 0.281 1290 K C -0.723 176.001 176.600 0.207 0.000 1.027 1290 K CA 0.057 56.417 56.287 0.122 0.000 0.989 1290 K CB 1.394 33.929 32.500 0.060 0.000 0.935 1290 K HN 0.190 nan 8.250 nan 0.000 0.475 1291 V N 4.892 124.962 119.914 0.259 0.000 3.098 1291 V HA 0.202 4.324 4.120 0.003 0.000 0.294 1291 V C -2.486 173.609 176.094 0.002 0.000 1.351 1291 V CA -1.845 60.579 62.300 0.206 0.000 0.999 1291 V CB 2.509 34.385 31.823 0.089 0.000 1.104 1291 V HN 0.689 nan 8.190 nan 0.000 0.438 1292 P HA 0.074 nan 4.420 nan 0.000 0.263 1292 P C -0.250 176.940 177.300 -0.183 0.000 1.195 1292 P CA 0.573 63.429 63.100 -0.407 0.000 0.762 1292 P CB 0.715 32.140 31.700 -0.459 0.000 0.799 1293 S N 4.869 120.482 115.700 -0.145 0.000 2.572 1293 S HA 0.160 4.632 4.470 0.003 0.000 0.279 1293 S C -0.899 173.641 174.600 -0.101 0.000 1.341 1293 S CA -1.353 56.795 58.200 -0.087 0.000 1.043 1293 S CB -0.152 63.015 63.200 -0.056 0.000 0.887 1293 S HN 0.309 nan 8.310 nan 0.000 0.516 1294 P HA -0.178 nan 4.420 nan 0.000 0.215 1294 P C 1.634 178.893 177.300 -0.068 0.000 1.163 1294 P CA 2.237 65.295 63.100 -0.070 0.000 0.894 1294 P CB -0.936 30.734 31.700 -0.050 0.000 0.791 1295 T N -4.161 110.362 114.554 -0.051 0.000 2.946 1295 T HA -0.016 4.335 4.350 0.003 0.000 0.270 1295 T C 1.544 176.219 174.700 -0.042 0.000 1.129 1295 T CA 2.061 64.138 62.100 -0.037 0.000 1.103 1295 T CB -0.818 68.038 68.868 -0.020 0.000 0.839 1295 T HN 0.384 nan 8.240 nan 0.000 0.544 1296 G N 0.495 109.253 108.800 -0.071 0.000 3.435 1296 G HA2 -0.121 3.841 3.960 0.003 0.000 0.197 1296 G HA3 -0.121 3.841 3.960 0.003 0.000 0.197 1296 G C -0.259 174.576 174.900 -0.109 0.000 1.497 1296 G CA -0.187 44.864 45.100 -0.082 0.000 1.043 1296 G HN 0.659 nan 8.290 nan 0.000 0.466 1297 E N 0.333 120.501 120.200 -0.054 0.000 2.442 1297 E HA 0.453 4.804 4.350 0.003 0.000 0.260 1297 E C -0.596 175.955 176.600 -0.081 0.000 1.148 1297 E CA -0.008 56.385 56.400 -0.011 0.000 0.976 1297 E CB 0.389 30.107 29.700 0.031 0.000 0.967 1297 E HN 0.436 nan 8.360 nan 0.000 0.454 1298 Y N 0.165 120.473 120.300 0.014 0.000 2.316 1298 Y HA 0.332 4.883 4.550 0.003 0.000 0.331 1298 Y C 0.100 176.006 175.900 0.010 0.000 1.083 1298 Y CA -0.476 57.632 58.100 0.013 0.000 1.206 1298 Y CB 0.737 39.208 38.460 0.018 0.000 1.195 1298 Y HN 0.177 nan 8.280 nan 0.000 0.497 1299 V N 1.510 121.512 119.914 0.146 0.000 3.164 1299 V HA 0.452 4.573 4.120 0.003 0.000 0.313 1299 V C -0.944 175.201 176.094 0.085 0.000 1.188 1299 V CA -1.931 60.423 62.300 0.090 0.000 1.058 1299 V CB 1.968 33.817 31.823 0.044 0.000 1.110 1299 V HN 0.511 nan 8.190 nan 0.000 0.453 1300 K N 1.409 121.843 120.400 0.056 0.000 2.184 1300 K HA 0.353 4.674 4.320 0.003 0.000 0.259 1300 K C -0.424 176.200 176.600 0.041 0.000 1.119 1300 K CA -0.020 56.294 56.287 0.045 0.000 0.991 1300 K CB 0.753 33.271 32.500 0.029 0.000 1.522 1300 K HN 0.612 nan 8.250 nan 0.000 0.405 1301 E N 4.633 124.862 120.200 0.049 0.000 2.014 1301 E HA 0.161 4.512 4.350 0.003 0.000 0.275 1301 E C -2.405 174.225 176.600 0.050 0.000 0.997 1301 E CA -2.240 54.188 56.400 0.048 0.000 0.804 1301 E CB 0.949 30.677 29.700 0.048 0.000 1.090 1301 E HN 0.257 nan 8.360 nan 0.000 0.401 1302 P HA 0.146 nan 4.420 nan 0.000 0.293 1302 P C -1.244 176.073 177.300 0.029 0.000 1.300 1302 P CA -0.285 62.825 63.100 0.017 0.000 0.792 1302 P CB 0.791 32.474 31.700 -0.028 0.000 0.925 1303 E N 2.008 122.240 120.200 0.053 0.000 2.221 1303 E HA 0.430 4.781 4.350 0.003 0.000 0.268 1303 E C -1.216 175.422 176.600 0.064 0.000 0.933 1303 E CA -0.954 55.517 56.400 0.117 0.000 0.809 1303 E CB 0.978 30.778 29.700 0.167 0.000 1.190 1303 E HN 0.238 nan 8.360 nan 0.000 0.406 1304 W N 1.849 123.192 121.300 0.072 0.000 2.311 1304 W HA 0.408 5.070 4.660 0.003 0.000 0.310 1304 W C -0.731 175.771 176.519 -0.028 0.000 1.274 1304 W CA -0.264 57.099 57.345 0.030 0.000 1.215 1304 W CB 1.198 30.670 29.460 0.020 0.000 1.227 1304 W HN 0.226 nan 8.180 nan 0.000 0.523 1305 V N 5.282 125.205 119.914 0.014 0.000 2.735 1305 V HA 0.436 4.558 4.120 0.003 0.000 0.310 1305 V C -0.213 175.734 176.094 -0.244 0.000 1.061 1305 V CA -1.262 60.869 62.300 -0.283 0.000 0.913 1305 V CB 1.857 33.108 31.823 -0.954 0.000 1.005 1305 V HN 0.271 nan 8.190 nan 0.000 0.428 1306 L N 3.663 124.752 121.223 -0.223 0.000 2.272 1306 L HA 0.570 4.912 4.340 0.003 0.000 0.289 1306 L C -0.098 176.694 176.870 -0.130 0.000 1.032 1306 L CA -0.326 54.447 54.840 -0.112 0.000 0.810 1306 L CB 1.530 43.554 42.059 -0.059 0.000 1.205 1306 L HN 0.649 nan 8.230 nan 0.000 0.422 1307 E N 1.738 121.910 120.200 -0.047 0.000 2.166 1307 E HA 0.423 4.775 4.350 0.003 0.000 0.275 1307 E C -0.851 175.762 176.600 0.022 0.000 0.941 1307 E CA -0.391 56.006 56.400 -0.004 0.000 0.784 1307 E CB 2.013 31.749 29.700 0.059 0.000 1.115 1307 E HN 0.478 nan 8.360 nan 0.000 0.399 1308 T N 1.754 116.317 114.554 0.014 0.000 2.949 1308 T HA 0.427 4.779 4.350 0.003 0.000 0.287 1308 T C -0.954 173.758 174.700 0.020 0.000 1.034 1308 T CA -0.852 61.256 62.100 0.014 0.000 1.018 1308 T CB 0.974 69.840 68.868 -0.004 0.000 1.135 1308 T HN 0.267 nan 8.240 nan 0.000 0.532 1309 D N 0.198 120.608 120.400 0.017 0.000 2.505 1309 D HA 0.597 5.239 4.640 0.003 0.000 0.250 1309 D C 0.324 176.628 176.300 0.006 0.000 1.164 1309 D CA 0.493 54.501 54.000 0.013 0.000 0.870 1309 D CB 1.058 41.867 40.800 0.015 0.000 1.160 1309 D HN 0.975 nan 8.370 nan 0.000 0.549 1310 G N 0.339 109.136 108.800 -0.004 0.000 2.712 1310 G HA2 0.102 4.063 3.960 0.003 0.000 0.683 1310 G HA3 0.102 4.063 3.960 0.003 0.000 0.683 1310 G C -1.213 173.671 174.900 -0.026 0.000 1.320 1310 G CA -0.682 44.409 45.100 -0.014 0.000 0.847 1310 G HN 0.631 nan 8.290 nan 0.000 0.553 1311 V N 0.554 120.445 119.914 -0.037 0.000 2.851 1311 V HA 0.761 4.883 4.120 0.003 0.000 0.307 1311 V C 0.006 176.069 176.094 -0.052 0.000 1.129 1311 V CA -0.313 61.958 62.300 -0.049 0.000 0.932 1311 V CB 2.179 33.964 31.823 -0.064 0.000 1.024 1311 V HN 1.169 nan 8.190 nan 0.000 0.426 1312 N N 2.929 121.598 118.700 -0.052 0.000 2.827 1312 N HA 0.172 4.913 4.740 0.003 0.000 0.240 1312 N C 0.331 175.815 175.510 -0.045 0.000 1.352 1312 N CA -0.472 52.546 53.050 -0.052 0.000 0.760 1312 N CB 1.145 39.596 38.487 -0.059 0.000 1.426 1312 N HN 0.613 nan 8.380 nan 0.000 0.561 1313 L N 2.241 123.438 121.223 -0.043 0.000 2.131 1313 L HA 0.051 4.393 4.340 0.003 0.000 0.210 1313 L C 1.956 178.813 176.870 -0.023 0.000 1.092 1313 L CA 1.846 56.666 54.840 -0.033 0.000 0.759 1313 L CB -0.456 41.581 42.059 -0.036 0.000 0.903 1313 L HN 0.468 nan 8.230 nan 0.000 0.435 1314 S N -0.879 114.806 115.700 -0.025 0.000 2.465 1314 S HA -0.122 4.350 4.470 0.003 0.000 0.241 1314 S C 1.594 176.181 174.600 -0.021 0.000 1.000 1314 S CA 1.165 59.353 58.200 -0.020 0.000 0.964 1314 S CB -0.192 62.995 63.200 -0.022 0.000 0.763 1314 S HN 0.495 nan 8.310 nan 0.000 0.512 1315 E N -0.514 119.670 120.200 -0.027 0.000 2.641 1315 E HA 0.173 4.525 4.350 0.003 0.000 0.224 1315 E C 1.059 177.644 176.600 -0.025 0.000 0.951 1315 E CA 0.163 56.546 56.400 -0.028 0.000 1.102 1315 E CB 0.898 30.575 29.700 -0.039 0.000 1.091 1315 E HN 0.328 nan 8.360 nan 0.000 0.507 1316 V N 0.803 120.704 119.914 -0.021 0.000 2.795 1316 V HA -0.081 4.040 4.120 0.003 0.000 0.243 1316 V C 2.412 178.502 176.094 -0.005 0.000 1.069 1316 V CA 1.151 63.441 62.300 -0.017 0.000 1.089 1316 V CB -0.493 31.318 31.823 -0.020 0.000 0.756 1316 V HN 0.249 nan 8.190 nan 0.000 0.471 1317 M N 1.595 121.196 119.600 0.001 0.000 2.319 1317 M HA -0.057 4.425 4.480 0.003 0.000 0.265 1317 M C 1.982 178.289 176.300 0.011 0.000 1.068 1317 M CA 2.073 57.382 55.300 0.015 0.000 1.118 1317 M CB -1.256 31.358 32.600 0.022 0.000 1.395 1317 M HN 0.351 nan 8.290 nan 0.000 0.435 1318 T N -1.020 113.536 114.554 0.002 0.000 3.155 1318 T HA 0.152 4.504 4.350 0.003 0.000 0.264 1318 T C 0.607 175.306 174.700 -0.002 0.000 1.160 1318 T CA -0.046 62.054 62.100 0.000 0.000 1.075 1318 T CB -0.995 67.870 68.868 -0.005 0.000 0.921 1318 T HN 0.249 nan 8.240 nan 0.000 0.533 1319 V N 4.000 123.912 119.914 -0.002 0.000 2.924 1319 V HA 0.281 4.403 4.120 0.003 0.000 0.305 1319 V C -1.577 174.513 176.094 -0.006 0.000 1.073 1319 V CA -1.907 60.389 62.300 -0.007 0.000 1.098 1319 V CB 0.746 32.563 31.823 -0.011 0.000 1.000 1319 V HN 0.395 nan 8.190 nan 0.000 0.484 1320 P HA 0.165 nan 4.420 nan 0.000 0.272 1320 P C 0.776 178.061 177.300 -0.024 0.000 1.223 1320 P CA 0.829 63.919 63.100 -0.018 0.000 0.784 1320 P CB 0.678 32.362 31.700 -0.028 0.000 0.923 1321 G N 1.247 110.032 108.800 -0.025 0.000 2.175 1321 G HA2 -0.223 3.738 3.960 0.003 0.000 0.265 1321 G HA3 -0.223 3.738 3.960 0.003 0.000 0.265 1321 G C 0.199 175.094 174.900 -0.008 0.000 0.979 1321 G CA 0.497 45.571 45.100 -0.044 0.000 0.663 1321 G HN 0.811 nan 8.290 nan 0.000 0.533 1322 I N -1.422 119.158 120.570 0.015 0.000 2.608 1322 I HA 0.642 4.813 4.170 0.003 0.000 0.295 1322 I C -1.007 175.149 176.117 0.065 0.000 1.049 1322 I CA -1.548 59.780 61.300 0.046 0.000 1.063 1322 I CB 1.988 40.011 38.000 0.038 0.000 1.248 1322 I HN -0.021 nan 8.210 nan 0.000 0.424 1323 D N 8.539 128.998 120.400 0.098 0.000 2.358 1323 D HA 0.232 4.873 4.640 0.003 0.000 0.258 1323 D C -2.046 174.311 176.300 0.095 0.000 1.223 1323 D CA -1.370 52.685 54.000 0.090 0.000 0.886 1323 D CB 1.383 42.239 40.800 0.093 0.000 1.120 1323 D HN 0.423 nan 8.370 nan 0.000 0.482 1324 P HA 0.134 nan 4.420 nan 0.000 0.259 1324 P C 0.557 177.892 177.300 0.058 0.000 1.530 1324 P CA -0.113 63.024 63.100 0.062 0.000 1.022 1324 P CB 0.652 32.376 31.700 0.041 0.000 1.514 1325 T N -1.185 113.403 114.554 0.058 0.000 2.985 1325 T HA 0.246 4.598 4.350 0.003 0.000 0.254 1325 T C 1.429 176.165 174.700 0.061 0.000 1.021 1325 T CA 0.478 62.605 62.100 0.045 0.000 0.957 1325 T CB 0.115 68.994 68.868 0.018 0.000 1.047 1325 T HN 0.002 nan 8.240 nan 0.000 0.511 1326 R N -0.346 120.214 120.500 0.100 0.000 2.412 1326 R HA 0.431 4.773 4.340 0.003 0.000 0.212 1326 R C 0.530 177.066 176.300 0.394 0.000 0.878 1326 R CA -0.286 55.896 56.100 0.136 0.000 1.022 1326 R CB 0.579 30.859 30.300 -0.033 0.000 1.265 1326 R HN 0.295 nan 8.270 nan 0.000 0.620 1327 I N 1.953 122.732 120.570 0.349 0.000 2.845 1327 I HA -0.189 3.983 4.170 0.003 0.000 0.296 1327 I C -0.818 175.480 176.117 0.301 0.000 1.216 1327 I CA 0.756 62.234 61.300 0.297 0.000 1.438 1327 I CB 0.265 38.350 38.000 0.142 0.000 1.342 1327 I HN 0.032 nan 8.210 nan 0.000 0.577 1328 Y N 5.935 126.282 120.300 0.078 0.000 2.373 1328 Y HA 0.381 4.932 4.550 0.003 0.000 0.336 1328 Y C -0.488 175.435 175.900 0.039 0.000 0.979 1328 Y CA -0.524 57.627 58.100 0.086 0.000 1.080 1328 Y CB 1.753 40.304 38.460 0.152 0.000 1.190 1328 Y HN 0.427 nan 8.280 nan 0.000 0.446 1329 T N 5.047 119.294 114.554 -0.510 0.000 2.829 1329 T HA 0.136 4.487 4.350 0.003 0.000 0.280 1329 T C 0.701 175.009 174.700 -0.654 0.000 0.999 1329 T CA -0.696 61.156 62.100 -0.413 0.000 0.983 1329 T CB 0.690 69.427 68.868 -0.219 0.000 0.968 1329 T HN 0.768 nan 8.240 nan 0.000 0.446 1330 N N 1.555 120.062 118.700 -0.322 0.000 2.550 1330 N HA -0.035 4.706 4.740 0.003 0.000 0.186 1330 N C 0.678 176.149 175.510 -0.065 0.000 1.110 1330 N CA 0.034 52.998 53.050 -0.142 0.000 0.912 1330 N CB 0.197 38.725 38.487 0.068 0.000 0.968 1330 N HN 0.329 nan 8.380 nan 0.000 0.448 1331 S N 0.129 115.740 115.700 -0.148 0.000 2.481 1331 S HA 0.122 4.593 4.470 0.003 0.000 0.276 1331 S C 0.486 174.990 174.600 -0.161 0.000 1.247 1331 S CA -0.922 57.154 58.200 -0.205 0.000 1.053 1331 S CB -0.342 62.735 63.200 -0.204 0.000 0.925 1331 S HN 0.373 nan 8.310 nan 0.000 0.491 1332 F N 4.300 124.238 119.950 -0.021 0.000 2.789 1332 F HA 0.396 4.925 4.527 0.003 0.000 0.300 1332 F C 1.230 177.036 175.800 0.011 0.000 1.132 1332 F CA -0.269 57.735 58.000 0.007 0.000 1.404 1332 F CB -0.195 38.836 39.000 0.052 0.000 1.114 1332 F HN 0.477 nan 8.300 nan 0.000 0.584 1333 I N 1.057 121.383 120.570 -0.407 0.000 2.703 1333 I HA -0.094 4.077 4.170 0.003 0.000 0.259 1333 I C 1.398 177.457 176.117 -0.097 0.000 1.151 1333 I CA 1.026 62.199 61.300 -0.211 0.000 1.470 1333 I CB -0.487 37.319 38.000 -0.322 0.000 1.112 1333 I HN 0.107 nan 8.210 nan 0.000 0.437 1334 D N 0.762 121.092 120.400 -0.116 0.000 2.123 1334 D HA -0.084 4.558 4.640 0.003 0.000 0.200 1334 D C 2.322 178.603 176.300 -0.031 0.000 0.976 1334 D CA 0.768 54.726 54.000 -0.069 0.000 0.831 1334 D CB 0.142 40.891 40.800 -0.086 0.000 0.974 1334 D HN 0.173 nan 8.370 nan 0.000 0.469 1335 I N 1.171 121.728 120.570 -0.021 0.000 2.145 1335 I HA -0.276 3.895 4.170 0.003 0.000 0.244 1335 I C 2.412 178.560 176.117 0.051 0.000 1.075 1335 I CA 1.045 62.359 61.300 0.024 0.000 1.332 1335 I CB -0.641 37.396 38.000 0.062 0.000 1.033 1335 I HN 0.134 nan 8.210 nan 0.000 0.410 1336 M N 0.467 120.108 119.600 0.068 0.000 2.117 1336 M HA -0.213 4.269 4.480 0.003 0.000 0.262 1336 M C 2.078 178.405 176.300 0.046 0.000 1.065 1336 M CA 1.753 57.098 55.300 0.076 0.000 1.114 1336 M CB -0.570 32.093 32.600 0.104 0.000 1.361 1336 M HN 0.256 nan 8.290 nan 0.000 0.408 1337 E N -1.002 119.214 120.200 0.025 0.000 2.150 1337 E HA -0.147 4.205 4.350 0.003 0.000 0.193 1337 E C 1.914 178.522 176.600 0.014 0.000 0.985 1337 E CA 1.212 57.621 56.400 0.014 0.000 0.814 1337 E CB 0.271 29.970 29.700 -0.002 0.000 0.752 1337 E HN 0.358 nan 8.360 nan 0.000 0.466 1338 V N 0.392 120.315 119.914 0.014 0.000 2.490 1338 V HA -0.079 4.042 4.120 0.003 0.000 0.238 1338 V C 1.933 178.041 176.094 0.023 0.000 1.056 1338 V CA 0.826 63.135 62.300 0.014 0.000 1.075 1338 V CB -0.053 31.774 31.823 0.007 0.000 0.746 1338 V HN 0.215 nan 8.190 nan 0.000 0.479 1339 L N 0.457 121.699 121.223 0.033 0.000 2.567 1339 L HA 0.421 4.763 4.340 0.003 0.000 0.225 1339 L C 1.032 177.926 176.870 0.040 0.000 1.119 1339 L CA 0.682 55.545 54.840 0.039 0.000 0.871 1339 L CB -0.612 41.478 42.059 0.052 0.000 1.036 1339 L HN 0.562 nan 8.230 nan 0.000 0.459 1340 G N 0.847 109.672 108.800 0.041 0.000 2.981 1340 G HA2 -0.252 3.710 3.960 0.003 0.000 0.686 1340 G HA3 -0.252 3.710 3.960 0.003 0.000 0.686 1340 G C 0.462 175.392 174.900 0.049 0.000 1.068 1340 G CA -0.182 44.943 45.100 0.042 0.000 0.806 1340 G HN 0.080 nan 8.290 nan 0.000 0.568 1341 I N 0.646 121.248 120.570 0.053 0.000 3.363 1341 I HA -0.377 3.795 4.170 0.003 0.000 0.192 1341 I C 2.441 178.591 176.117 0.056 0.000 0.778 1341 I CA 3.204 64.539 61.300 0.058 0.000 1.105 1341 I CB 0.013 38.043 38.000 0.050 0.000 0.877 1341 I HN 0.809 nan 8.210 nan 0.000 0.324 1342 E N -0.048 120.179 120.200 0.046 0.000 2.153 1342 E HA -0.163 4.189 4.350 0.003 0.000 0.194 1342 E C 2.136 178.762 176.600 0.042 0.000 0.988 1342 E CA 1.324 57.747 56.400 0.039 0.000 0.811 1342 E CB -0.346 29.372 29.700 0.031 0.000 0.746 1342 E HN 0.717 nan 8.360 nan 0.000 0.466 1343 A N 0.640 123.491 122.820 0.053 0.000 1.872 1343 A HA -0.025 4.297 4.320 0.003 0.000 0.214 1343 A C 2.461 180.104 177.584 0.097 0.000 1.187 1343 A CA 1.684 53.763 52.037 0.070 0.000 0.614 1343 A CB -1.143 17.902 19.000 0.076 0.000 0.826 1343 A HN 0.331 nan 8.150 nan 0.000 0.442 1344 G N -0.062 108.799 108.800 0.102 0.000 2.759 1344 G HA2 -0.420 3.541 3.960 0.003 0.000 0.224 1344 G HA3 -0.420 3.541 3.960 0.003 0.000 0.224 1344 G C 1.740 176.709 174.900 0.115 0.000 1.173 1344 G CA 1.595 46.774 45.100 0.131 0.000 0.770 1344 G HN 0.577 nan 8.290 nan 0.000 0.626 1345 R N 0.454 120.998 120.500 0.074 0.000 2.148 1345 R HA -0.140 4.201 4.340 0.003 0.000 0.230 1345 R C 3.070 179.417 176.300 0.079 0.000 1.120 1345 R CA 2.045 58.175 56.100 0.050 0.000 0.902 1345 R CB -0.797 29.519 30.300 0.027 0.000 0.839 1345 R HN 0.340 nan 8.270 nan 0.000 0.431 1346 A N 0.427 123.287 122.820 0.066 0.000 1.954 1346 A HA -0.308 4.014 4.320 0.003 0.000 0.222 1346 A C 2.289 179.980 177.584 0.178 0.000 1.199 1346 A CA 2.490 54.571 52.037 0.073 0.000 0.657 1346 A CB -0.983 18.038 19.000 0.036 0.000 0.823 1346 A HN 0.673 nan 8.150 nan 0.000 0.463 1347 A N -0.698 122.248 122.820 0.209 0.000 1.821 1347 A HA 0.033 4.355 4.320 0.003 0.000 0.215 1347 A C 2.126 179.851 177.584 0.235 0.000 1.214 1347 A CA 1.614 53.837 52.037 0.311 0.000 0.608 1347 A CB -1.028 18.166 19.000 0.323 0.000 0.862 1347 A HN 1.036 nan 8.150 nan 0.000 0.448 1348 L N -1.341 119.924 121.223 0.070 0.000 2.082 1348 L HA -0.310 4.031 4.340 0.003 0.000 0.223 1348 L C 2.352 179.157 176.870 -0.109 0.000 1.086 1348 L CA 2.994 57.647 54.840 -0.312 0.000 0.793 1348 L CB -0.746 41.031 42.059 -0.470 0.000 0.896 1348 L HN 0.592 nan 8.230 nan 0.000 0.441 1349 Y N 0.167 120.422 120.300 -0.075 0.000 2.049 1349 Y HA -0.354 4.198 4.550 0.003 0.000 0.277 1349 Y C 2.752 178.694 175.900 0.070 0.000 1.143 1349 Y CA 2.375 60.462 58.100 -0.020 0.000 1.115 1349 Y CB -0.369 38.078 38.460 -0.021 0.000 0.975 1349 Y HN 0.157 nan 8.280 nan 0.000 0.487 1350 K N -0.103 120.580 120.400 0.471 0.000 2.071 1350 K HA -0.348 3.974 4.320 0.003 0.000 0.217 1350 K C 1.875 178.615 176.600 0.233 0.000 1.054 1350 K CA 2.340 58.840 56.287 0.355 0.000 0.937 1350 K CB -0.245 32.420 32.500 0.275 0.000 0.719 1350 K HN 0.358 nan 8.250 nan 0.000 0.454 1351 E N 0.186 120.506 120.200 0.200 0.000 2.005 1351 E HA -0.168 4.183 4.350 0.003 0.000 0.198 1351 E C 1.983 178.611 176.600 0.046 0.000 1.010 1351 E CA 1.277 57.770 56.400 0.156 0.000 0.825 1351 E CB -0.620 29.183 29.700 0.171 0.000 0.769 1351 E HN 0.081 nan 8.360 nan 0.000 0.456 1352 V N 0.544 120.418 119.914 -0.066 0.000 2.313 1352 V HA -0.329 3.793 4.120 0.003 0.000 0.253 1352 V C 2.167 178.185 176.094 -0.127 0.000 1.070 1352 V CA 2.351 64.574 62.300 -0.129 0.000 1.057 1352 V CB -0.616 31.081 31.823 -0.210 0.000 0.653 1352 V HN 0.391 nan 8.190 nan 0.000 0.450 1353 Y N 0.923 121.026 120.300 -0.330 0.000 2.114 1353 Y HA -0.219 4.333 4.550 0.003 0.000 0.284 1353 Y C 2.528 178.388 175.900 -0.066 0.000 1.143 1353 Y CA 2.232 60.188 58.100 -0.240 0.000 1.135 1353 Y CB -0.448 37.844 38.460 -0.281 0.000 0.980 1353 Y HN 0.232 nan 8.280 nan 0.000 0.499 1354 N N 0.055 118.830 118.700 0.125 0.000 2.443 1354 N HA -0.164 4.577 4.740 0.003 0.000 0.184 1354 N C 1.777 177.262 175.510 -0.041 0.000 1.037 1354 N CA 0.939 54.025 53.050 0.061 0.000 0.896 1354 N CB -0.025 38.574 38.487 0.186 0.000 0.959 1354 N HN 0.347 nan 8.380 nan 0.000 0.442 1355 V N 1.322 121.208 119.914 -0.046 0.000 2.358 1355 V HA -0.181 3.941 4.120 0.003 0.000 0.246 1355 V C 2.219 178.255 176.094 -0.096 0.000 1.047 1355 V CA 1.005 63.276 62.300 -0.048 0.000 1.035 1355 V CB -0.164 31.643 31.823 -0.028 0.000 0.658 1355 V HN 0.238 nan 8.190 nan 0.000 0.452 1356 I N 0.347 120.818 120.570 -0.165 0.000 2.193 1356 I HA -0.102 4.069 4.170 0.003 0.000 0.240 1356 I C 2.664 178.661 176.117 -0.201 0.000 1.084 1356 I CA 1.932 63.132 61.300 -0.167 0.000 1.365 1356 I CB -1.765 36.132 38.000 -0.172 0.000 1.064 1356 I HN 0.305 nan 8.210 nan 0.000 0.410 1357 A N 0.934 123.527 122.820 -0.378 0.000 1.968 1357 A HA -0.153 4.168 4.320 0.003 0.000 0.217 1357 A C 2.514 180.002 177.584 -0.159 0.000 1.169 1357 A CA 1.769 53.606 52.037 -0.334 0.000 0.638 1357 A CB -0.760 17.869 19.000 -0.618 0.000 0.812 1357 A HN 0.545 nan 8.150 nan 0.000 0.446 1358 S N 0.498 116.122 115.700 -0.126 0.000 2.387 1358 S HA -0.251 4.220 4.470 0.003 0.000 0.230 1358 S C 1.256 175.830 174.600 -0.043 0.000 1.035 1358 S CA 1.930 60.096 58.200 -0.057 0.000 1.014 1358 S CB -0.674 62.507 63.200 -0.032 0.000 0.836 1358 S HN 0.516 nan 8.310 nan 0.000 0.466 1359 D N 1.042 121.412 120.400 -0.050 0.000 2.348 1359 D HA 0.288 4.930 4.640 0.003 0.000 0.216 1359 D C 1.523 177.809 176.300 -0.023 0.000 0.970 1359 D CA 1.119 55.102 54.000 -0.029 0.000 0.889 1359 D CB -0.296 40.487 40.800 -0.028 0.000 0.912 1359 D HN 0.651 nan 8.370 nan 0.000 0.524 1360 G N -0.500 108.280 108.800 -0.033 0.000 2.176 1360 G HA2 -0.289 3.672 3.960 0.003 0.000 0.253 1360 G HA3 -0.289 3.672 3.960 0.003 0.000 0.253 1360 G C 0.666 175.569 174.900 0.004 0.000 0.979 1360 G CA 0.353 45.444 45.100 -0.016 0.000 0.641 1360 G HN 0.341 nan 8.290 nan 0.000 0.530 1361 S N -0.615 115.083 115.700 -0.004 0.000 2.617 1361 S HA 0.602 5.074 4.470 0.003 0.000 0.259 1361 S C -0.446 174.214 174.600 0.099 0.000 1.301 1361 S CA 0.461 58.679 58.200 0.029 0.000 0.984 1361 S CB 1.255 64.455 63.200 0.000 0.000 0.954 1361 S HN 1.175 nan 8.310 nan 0.000 0.572 1362 Y N 0.484 120.769 120.300 -0.026 0.000 2.287 1362 Y HA 0.481 5.033 4.550 0.003 0.000 0.321 1362 Y C -1.536 174.401 175.900 0.062 0.000 1.173 1362 Y CA -1.032 57.076 58.100 0.014 0.000 1.124 1362 Y CB 0.052 38.539 38.460 0.044 0.000 1.201 1362 Y HN 0.350 nan 8.280 nan 0.000 0.421 1363 V N 5.969 125.968 119.914 0.142 0.000 2.532 1363 V HA 0.304 4.426 4.120 0.003 0.000 0.295 1363 V C 0.083 176.238 176.094 0.102 0.000 1.041 1363 V CA -1.035 61.261 62.300 -0.008 0.000 0.926 1363 V CB 1.755 33.641 31.823 0.105 0.000 0.992 1363 V HN 0.823 nan 8.190 nan 0.000 0.457 1364 N N 2.363 121.058 118.700 -0.009 0.000 2.452 1364 N HA -0.009 4.732 4.740 0.003 0.000 0.266 1364 N C 1.022 176.675 175.510 0.238 0.000 1.209 1364 N CA -0.046 53.102 53.050 0.164 0.000 0.929 1364 N CB 0.161 38.661 38.487 0.022 0.000 1.063 1364 N HN 0.712 nan 8.380 nan 0.000 0.472 1365 Y N 5.474 125.950 120.300 0.295 0.000 2.130 1365 Y HA -0.529 4.022 4.550 0.003 0.000 0.245 1365 Y C 2.272 178.226 175.900 0.091 0.000 1.287 1365 Y CA 2.791 61.053 58.100 0.270 0.000 1.047 1365 Y CB -0.302 38.297 38.460 0.232 0.000 0.849 1365 Y HN 0.707 nan 8.280 nan 0.000 0.517 1366 R N -0.827 119.656 120.500 -0.028 0.000 2.159 1366 R HA -0.304 4.038 4.340 0.003 0.000 0.252 1366 R C 1.822 177.912 176.300 -0.351 0.000 1.144 1366 R CA 2.192 58.093 56.100 -0.333 0.000 0.961 1366 R CB -1.738 28.327 30.300 -0.392 0.000 0.877 1366 R HN 0.555 nan 8.270 nan 0.000 0.444 1367 H N 0.856 119.901 119.070 -0.042 0.000 2.270 1367 H HA -0.022 4.535 4.556 0.003 0.000 0.299 1367 H C 2.409 177.687 175.328 -0.083 0.000 1.077 1367 H CA 1.942 57.969 56.048 -0.034 0.000 1.294 1367 H CB -0.527 29.238 29.762 0.005 0.000 1.371 1367 H HN 0.235 nan 8.280 nan 0.000 0.491 1368 M N 0.441 120.066 119.600 0.042 0.000 2.065 1368 M HA -0.162 4.320 4.480 0.003 0.000 0.259 1368 M C 2.814 179.076 176.300 -0.063 0.000 1.069 1368 M CA 1.554 56.829 55.300 -0.042 0.000 1.110 1368 M CB -0.376 32.167 32.600 -0.096 0.000 1.328 1368 M HN 0.295 nan 8.290 nan 0.000 0.405 1369 A N 0.663 123.394 122.820 -0.149 0.000 1.906 1369 A HA -0.295 4.026 4.320 0.003 0.000 0.222 1369 A C 2.143 179.619 177.584 -0.181 0.000 1.282 1369 A CA 2.441 54.299 52.037 -0.299 0.000 0.675 1369 A CB -1.340 17.209 19.000 -0.751 0.000 0.838 1369 A HN 0.527 nan 8.150 nan 0.000 0.469 1370 L N -1.164 119.952 121.223 -0.179 0.000 1.956 1370 L HA -0.200 4.142 4.340 0.003 0.000 0.216 1370 L C 2.413 179.227 176.870 -0.094 0.000 1.073 1370 L CA 2.343 57.108 54.840 -0.125 0.000 0.762 1370 L CB -0.475 41.540 42.059 -0.074 0.000 0.889 1370 L HN 0.472 nan 8.230 nan 0.000 0.433 1371 L N -0.755 120.419 121.223 -0.083 0.000 1.997 1371 L HA -0.296 4.045 4.340 0.003 0.000 0.227 1371 L C 2.395 179.207 176.870 -0.096 0.000 1.087 1371 L CA 2.363 57.144 54.840 -0.099 0.000 0.797 1371 L CB -0.960 41.039 42.059 -0.100 0.000 0.902 1371 L HN 0.195 nan 8.230 nan 0.000 0.441 1372 V N 0.076 119.943 119.914 -0.079 0.000 2.252 1372 V HA -0.385 3.737 4.120 0.003 0.000 0.249 1372 V C 2.382 178.443 176.094 -0.056 0.000 1.056 1372 V CA 2.355 64.618 62.300 -0.061 0.000 1.022 1372 V CB -0.762 31.066 31.823 0.008 0.000 0.641 1372 V HN 0.588 nan 8.190 nan 0.000 0.445 1373 D N -0.480 119.882 120.400 -0.063 0.000 2.149 1373 D HA -0.145 4.497 4.640 0.003 0.000 0.198 1373 D C 2.133 178.399 176.300 -0.057 0.000 0.990 1373 D CA 1.628 55.593 54.000 -0.059 0.000 0.839 1373 D CB -0.135 40.617 40.800 -0.079 0.000 0.948 1373 D HN 0.363 nan 8.370 nan 0.000 0.460 1374 V N 1.526 121.398 119.914 -0.071 0.000 2.233 1374 V HA -0.293 3.829 4.120 0.003 0.000 0.247 1374 V C 2.640 178.704 176.094 -0.050 0.000 1.050 1374 V CA 1.615 63.873 62.300 -0.071 0.000 1.010 1374 V CB -0.514 31.247 31.823 -0.103 0.000 0.637 1374 V HN 0.209 nan 8.190 nan 0.000 0.444 1375 M N -0.628 118.941 119.600 -0.053 0.000 2.195 1375 M HA -0.215 4.267 4.480 0.003 0.000 0.260 1375 M C 2.211 178.514 176.300 0.005 0.000 1.066 1375 M CA 2.139 57.428 55.300 -0.019 0.000 1.089 1375 M CB -0.743 31.839 32.600 -0.031 0.000 1.377 1375 M HN 0.357 nan 8.290 nan 0.000 0.411 1376 T N 0.120 114.670 114.554 -0.006 0.000 2.978 1376 T HA -0.065 4.287 4.350 0.003 0.000 0.262 1376 T C 1.837 176.547 174.700 0.017 0.000 1.063 1376 T CA 1.702 63.809 62.100 0.011 0.000 1.140 1376 T CB -0.189 68.682 68.868 0.006 0.000 0.886 1376 T HN 0.604 nan 8.240 nan 0.000 0.470 1377 T N 0.559 115.114 114.554 0.003 0.000 2.588 1377 T HA -0.110 4.241 4.350 0.003 0.000 0.261 1377 T C 1.351 176.062 174.700 0.018 0.000 1.069 1377 T CA 0.712 62.814 62.100 0.003 0.000 1.172 1377 T CB -0.750 68.105 68.868 -0.020 0.000 0.863 1377 T HN 0.312 nan 8.240 nan 0.000 0.408 1378 Q N 2.501 122.314 119.800 0.021 0.000 2.385 1378 Q HA 0.220 4.562 4.340 0.003 0.000 0.273 1378 Q C 1.594 177.617 176.000 0.038 0.000 1.281 1378 Q CA 0.409 56.230 55.803 0.030 0.000 0.952 1378 Q CB -0.937 27.823 28.738 0.036 0.000 1.419 1378 Q HN 0.731 nan 8.270 nan 0.000 0.472 1379 G N 3.246 112.068 108.800 0.037 0.000 4.217 1379 G HA2 -0.449 3.513 3.960 0.003 0.000 0.366 1379 G HA3 -0.449 3.513 3.960 0.003 0.000 0.366 1379 G C 0.555 175.483 174.900 0.046 0.000 1.707 1379 G CA 0.524 45.649 45.100 0.041 0.000 1.697 1379 G HN 0.768 nan 8.290 nan 0.000 0.855 1380 G N -1.083 107.748 108.800 0.052 0.000 3.365 1380 G HA2 0.546 4.507 3.960 0.003 0.000 0.185 1380 G HA3 0.546 4.507 3.960 0.003 0.000 0.185 1380 G C -0.009 174.935 174.900 0.073 0.000 1.565 1380 G CA -0.114 45.023 45.100 0.061 0.000 0.984 1380 G HN 0.800 nan 8.290 nan 0.000 0.604 1381 L N 2.204 123.481 121.223 0.089 0.000 2.603 1381 L HA 0.265 4.607 4.340 0.003 0.000 0.242 1381 L C -0.099 176.838 176.870 0.111 0.000 1.169 1381 L CA -0.394 54.513 54.840 0.111 0.000 1.029 1381 L CB 0.500 42.658 42.059 0.165 0.000 1.361 1381 L HN 0.308 nan 8.230 nan 0.000 0.439 1382 T N 0.122 114.731 114.554 0.092 0.000 2.758 1382 T HA 0.028 4.380 4.350 0.003 0.000 0.281 1382 T C 0.864 175.641 174.700 0.129 0.000 0.963 1382 T CA -0.074 62.090 62.100 0.107 0.000 1.201 1382 T CB 0.343 69.269 68.868 0.097 0.000 0.906 1382 T HN 0.610 nan 8.240 nan 0.000 0.528 1383 S N 2.235 118.032 115.700 0.163 0.000 2.608 1383 S HA 0.184 4.655 4.470 0.003 0.000 0.261 1383 S C 0.766 175.513 174.600 0.246 0.000 1.314 1383 S CA -0.965 57.345 58.200 0.184 0.000 0.992 1383 S CB 0.642 63.965 63.200 0.205 0.000 0.935 1383 S HN 0.428 nan 8.310 nan 0.000 0.564 1384 V N 1.851 121.886 119.914 0.201 0.000 3.189 1384 V HA 0.263 4.384 4.120 0.003 0.000 0.366 1384 V C 0.137 176.461 176.094 0.383 0.000 1.313 1384 V CA 0.076 62.494 62.300 0.197 0.000 1.302 1384 V CB -1.635 30.175 31.823 -0.021 0.000 1.260 1384 V HN 1.006 nan 8.190 nan 0.000 0.484 1385 T N -1.728 113.044 114.554 0.363 0.000 2.883 1385 T HA 0.349 4.700 4.350 0.003 0.000 0.296 1385 T C 1.204 175.844 174.700 -0.099 0.000 1.117 1385 T CA -0.885 61.340 62.100 0.209 0.000 1.006 1385 T CB 1.889 70.798 68.868 0.069 0.000 1.191 1385 T HN 0.272 nan 8.240 nan 0.000 0.508 1386 R N 0.681 121.074 120.500 -0.180 0.000 2.178 1386 R HA -0.277 4.064 4.340 0.003 0.000 0.257 1386 R C 1.466 177.601 176.300 -0.275 0.000 1.163 1386 R CA 2.149 58.080 56.100 -0.282 0.000 0.981 1386 R CB -1.230 28.922 30.300 -0.246 0.000 0.878 1386 R HN 0.701 nan 8.270 nan 0.000 0.454 1387 H N 0.812 119.876 119.070 -0.011 0.000 2.293 1387 H HA 0.042 4.600 4.556 0.003 0.000 0.300 1387 H C 1.983 177.305 175.328 -0.010 0.000 1.082 1387 H CA 1.297 57.344 56.048 -0.002 0.000 1.308 1387 H CB -1.007 28.774 29.762 0.031 0.000 1.375 1387 H HN 0.424 nan 8.280 nan 0.000 0.495 1388 G N 0.871 109.744 108.800 0.121 0.000 2.597 1388 G HA2 0.013 3.975 3.960 0.003 0.000 0.194 1388 G HA3 0.013 3.975 3.960 0.003 0.000 0.194 1388 G C 1.203 176.095 174.900 -0.013 0.000 1.625 1388 G CA 0.374 45.538 45.100 0.106 0.000 1.050 1388 G HN 0.389 nan 8.290 nan 0.000 0.531 1389 F N 0.720 120.657 119.950 -0.022 0.000 2.094 1389 F HA -0.302 4.226 4.527 0.002 0.000 0.296 1389 F C 1.689 177.449 175.800 -0.067 0.000 1.070 1389 F CA 2.044 60.006 58.000 -0.064 0.000 1.255 1389 F CB -0.731 38.195 39.000 -0.123 0.000 1.000 1389 F HN 0.246 nan 8.300 nan 0.000 0.490 1390 N N 0.428 118.488 118.700 -1.068 0.000 2.485 1390 N HA -0.005 4.736 4.740 0.003 0.000 0.199 1390 N C 1.127 176.469 175.510 -0.280 0.000 1.236 1390 N CA 0.501 53.107 53.050 -0.740 0.000 0.852 1390 N CB -0.180 37.814 38.487 -0.822 0.000 1.018 1390 N HN 0.640 nan 8.380 nan 0.000 0.457 1391 R N -1.642 118.752 120.500 -0.177 0.000 2.446 1391 R HA 0.228 4.569 4.340 0.003 0.000 0.254 1391 R C -0.057 176.215 176.300 -0.047 0.000 0.918 1391 R CA -0.056 55.992 56.100 -0.087 0.000 1.069 1391 R CB -0.720 29.548 30.300 -0.053 0.000 1.194 1391 R HN 0.029 nan 8.270 nan 0.000 0.534 1392 S N 3.143 118.823 115.700 -0.034 0.000 3.065 1392 S HA 0.046 4.517 4.470 0.003 0.000 0.311 1392 S C 0.274 174.874 174.600 0.001 0.000 1.204 1392 S CA -0.189 58.011 58.200 -0.000 0.000 1.040 1392 S CB -0.503 62.713 63.200 0.026 0.000 1.436 1392 S HN 0.599 nan 8.310 nan 0.000 0.532 1393 N N 0.596 119.293 118.700 -0.006 0.000 2.629 1393 N HA -0.248 4.493 4.740 0.003 0.000 0.246 1393 N C -0.423 175.088 175.510 0.001 0.000 1.176 1393 N CA 1.843 54.891 53.050 -0.003 0.000 0.809 1393 N CB -2.633 35.857 38.487 0.004 0.000 1.175 1393 N HN 0.632 nan 8.380 nan 0.000 0.577 1394 T N 0.071 114.626 114.554 0.002 0.000 2.813 1394 T HA 0.530 4.882 4.350 0.003 0.000 0.297 1394 T C 1.338 176.045 174.700 0.012 0.000 1.036 1394 T CA 0.146 62.253 62.100 0.011 0.000 1.044 1394 T CB 1.031 69.909 68.868 0.016 0.000 0.993 1394 T HN 0.454 nan 8.240 nan 0.000 0.535 1395 G N -0.390 108.427 108.800 0.029 0.000 2.630 1395 G HA2 0.353 4.315 3.960 0.003 0.000 0.236 1395 G HA3 0.353 4.315 3.960 0.003 0.000 0.236 1395 G C 1.122 176.047 174.900 0.041 0.000 1.248 1395 G CA -0.213 44.919 45.100 0.053 0.000 0.844 1395 G HN 0.879 nan 8.290 nan 0.000 0.588 1396 A N 1.282 124.138 122.820 0.060 0.000 1.898 1396 A HA 0.009 4.331 4.320 0.003 0.000 0.216 1396 A C 2.432 180.009 177.584 -0.012 0.000 1.181 1396 A CA 1.126 53.125 52.037 -0.064 0.000 0.620 1396 A CB -0.371 18.413 19.000 -0.360 0.000 0.819 1396 A HN 0.577 nan 8.150 nan 0.000 0.442 1397 L N -1.215 120.084 121.223 0.126 0.000 2.131 1397 L HA -0.215 4.127 4.340 0.003 0.000 0.210 1397 L C 2.753 179.660 176.870 0.062 0.000 1.092 1397 L CA 1.754 56.668 54.840 0.122 0.000 0.759 1397 L CB -0.395 41.762 42.059 0.163 0.000 0.903 1397 L HN 0.646 nan 8.230 nan 0.000 0.435 1398 M N -0.049 119.582 119.600 0.053 0.000 2.064 1398 M HA -0.200 4.281 4.480 0.003 0.000 0.260 1398 M C 2.236 178.561 176.300 0.042 0.000 1.073 1398 M CA 1.810 57.136 55.300 0.043 0.000 1.124 1398 M CB -0.142 32.481 32.600 0.038 0.000 1.326 1398 M HN -0.080 nan 8.290 nan 0.000 0.410 1399 R N -0.572 119.939 120.500 0.018 0.000 2.328 1399 R HA -0.076 4.266 4.340 0.003 0.000 0.207 1399 R C 2.232 178.538 176.300 0.010 0.000 1.056 1399 R CA 0.702 56.808 56.100 0.011 0.000 1.016 1399 R CB -0.819 29.459 30.300 -0.037 0.000 0.872 1399 R HN 0.540 nan 8.270 nan 0.000 0.471 1400 C N 0.017 119.315 119.300 -0.004 0.000 2.489 1400 C HA -0.098 4.364 4.460 0.003 0.000 0.279 1400 C C 2.836 177.833 174.990 0.012 0.000 1.266 1400 C CA 1.574 60.578 59.018 -0.024 0.000 1.707 1400 C CB -0.640 27.089 27.740 -0.019 0.000 2.059 1400 C HN 0.622 nan 8.230 nan 0.000 0.481 1401 S N -0.208 115.522 115.700 0.051 0.000 2.465 1401 S HA -0.164 4.308 4.470 0.003 0.000 0.241 1401 S C 1.358 176.047 174.600 0.149 0.000 1.000 1401 S CA 1.318 59.564 58.200 0.075 0.000 0.964 1401 S CB -0.597 62.649 63.200 0.076 0.000 0.763 1401 S HN 0.589 nan 8.310 nan 0.000 0.512 1402 F N 1.708 121.647 119.950 -0.019 0.000 2.202 1402 F HA 0.398 4.926 4.527 0.002 0.000 0.266 1402 F C 2.284 178.067 175.800 -0.028 0.000 1.173 1402 F CA 1.012 59.006 58.000 -0.009 0.000 1.075 1402 F CB -0.445 38.546 39.000 -0.016 0.000 1.046 1402 F HN 0.151 nan 8.300 nan 0.000 0.531 1403 E N -0.420 119.616 120.200 -0.273 0.000 2.357 1403 E HA 0.112 4.463 4.350 0.003 0.000 0.190 1403 E C -0.107 176.360 176.600 -0.220 0.000 1.022 1403 E CA 0.028 56.163 56.400 -0.443 0.000 1.068 1403 E CB 0.078 29.439 29.700 -0.566 0.000 1.465 1403 E HN 0.241 nan 8.360 nan 0.000 0.503 1404 E N 1.009 121.113 120.200 -0.159 0.000 1.852 1404 E HA 0.083 4.435 4.350 0.003 0.000 0.276 1404 E C -0.095 176.420 176.600 -0.142 0.000 1.163 1404 E CA 0.025 56.345 56.400 -0.133 0.000 1.117 1404 E CB 0.651 30.289 29.700 -0.103 0.000 1.124 1404 E HN 0.221 nan 8.360 nan 0.000 0.458 1405 T N -0.101 114.362 114.554 -0.152 0.000 2.915 1405 T HA -0.128 4.223 4.350 0.003 0.000 0.269 1405 T C 1.706 176.268 174.700 -0.229 0.000 1.071 1405 T CA 0.464 62.470 62.100 -0.156 0.000 1.132 1405 T CB 0.182 68.972 68.868 -0.131 0.000 0.878 1405 T HN 0.211 nan 8.240 nan 0.000 0.479 1406 V N 1.966 121.700 119.914 -0.300 0.000 2.436 1406 V HA -0.051 4.070 4.120 0.003 0.000 0.240 1406 V C 2.781 178.469 176.094 -0.677 0.000 1.040 1406 V CA 1.248 63.218 62.300 -0.549 0.000 1.052 1406 V CB -0.073 31.393 31.823 -0.595 0.000 0.707 1406 V HN 0.501 nan 8.190 nan 0.000 0.469 1407 E N 0.169 120.150 120.200 -0.364 0.000 2.153 1407 E HA -0.211 4.141 4.350 0.003 0.000 0.194 1407 E C 2.201 178.753 176.600 -0.080 0.000 0.988 1407 E CA 1.311 57.649 56.400 -0.102 0.000 0.811 1407 E CB -0.608 29.100 29.700 0.013 0.000 0.746 1407 E HN 0.429 nan 8.360 nan 0.000 0.466 1408 I N 1.638 122.120 120.570 -0.146 0.000 2.118 1408 I HA -0.249 3.922 4.170 0.003 0.000 0.241 1408 I C 2.700 178.693 176.117 -0.206 0.000 1.070 1408 I CA 1.088 62.297 61.300 -0.151 0.000 1.327 1408 I CB -1.016 36.895 38.000 -0.149 0.000 1.034 1408 I HN 0.127 nan 8.210 nan 0.000 0.405 1409 L N -1.047 120.016 121.223 -0.268 0.000 2.141 1409 L HA -0.196 4.146 4.340 0.003 0.000 0.209 1409 L C 2.488 179.301 176.870 -0.094 0.000 1.094 1409 L CA 1.064 55.718 54.840 -0.309 0.000 0.763 1409 L CB -0.415 41.470 42.059 -0.290 0.000 0.908 1409 L HN 0.103 nan 8.230 nan 0.000 0.437 1410 F N 0.729 120.631 119.950 -0.080 0.000 1.992 1410 F HA -0.249 4.280 4.527 0.003 0.000 0.292 1410 F C 2.710 178.591 175.800 0.135 0.000 1.192 1410 F CA 1.073 59.100 58.000 0.044 0.000 1.157 1410 F CB -0.427 38.545 39.000 -0.048 0.000 0.981 1410 F HN 0.150 nan 8.300 nan 0.000 0.483 1411 E N 1.239 121.607 120.200 0.280 0.000 2.333 1411 E HA -0.224 4.127 4.350 0.003 0.000 0.200 1411 E C 1.755 178.301 176.600 -0.091 0.000 1.010 1411 E CA 1.075 57.501 56.400 0.043 0.000 0.841 1411 E CB -0.477 29.201 29.700 -0.036 0.000 0.757 1411 E HN 0.404 nan 8.360 nan 0.000 0.508 1412 A N 1.237 123.996 122.820 -0.102 0.000 2.169 1412 A HA 0.172 4.494 4.320 0.003 0.000 0.212 1412 A C 2.256 179.762 177.584 -0.130 0.000 1.153 1412 A CA 0.789 52.708 52.037 -0.198 0.000 0.756 1412 A CB -0.266 18.500 19.000 -0.389 0.000 0.813 1412 A HN 0.397 nan 8.150 nan 0.000 0.471 1413 G N -1.542 107.244 108.800 -0.023 0.000 2.887 1413 G HA2 0.312 4.274 3.960 0.003 0.000 0.211 1413 G HA3 0.312 4.274 3.960 0.003 0.000 0.211 1413 G C 1.270 176.143 174.900 -0.045 0.000 1.152 1413 G CA 0.940 46.104 45.100 0.106 0.000 0.769 1413 G HN 0.603 nan 8.290 nan 0.000 0.541 1414 A N 0.282 122.966 122.820 -0.226 0.000 2.014 1414 A HA 0.340 4.662 4.320 0.003 0.000 0.210 1414 A C 2.211 179.371 177.584 -0.706 0.000 1.188 1414 A CA 1.233 52.931 52.037 -0.566 0.000 0.731 1414 A CB 0.037 18.564 19.000 -0.789 0.000 0.858 1414 A HN 0.149 nan 8.150 nan 0.000 0.464 1415 S N -0.223 115.202 115.700 -0.459 0.000 2.603 1415 S HA 0.363 4.834 4.470 0.003 0.000 0.220 1415 S C 1.144 175.603 174.600 -0.236 0.000 0.967 1415 S CA 0.612 58.582 58.200 -0.383 0.000 0.920 1415 S CB -0.272 62.772 63.200 -0.260 0.000 0.773 1415 S HN 1.490 nan 8.310 nan 0.000 0.529 1416 A N 1.677 124.389 122.820 -0.180 0.000 2.665 1416 A HA -0.237 4.085 4.320 0.003 0.000 0.301 1416 A C 0.259 177.838 177.584 -0.008 0.000 1.509 1416 A CA 0.692 52.704 52.037 -0.041 0.000 0.789 1416 A CB -1.887 17.088 19.000 -0.040 0.000 1.024 1416 A HN 0.642 nan 8.150 nan 0.000 0.460 1417 E N -1.440 118.773 120.200 0.021 0.000 2.502 1417 E HA 0.231 4.582 4.350 0.003 0.000 0.261 1417 E C 0.045 176.717 176.600 0.121 0.000 0.974 1417 E CA 0.114 56.544 56.400 0.049 0.000 0.936 1417 E CB 0.479 30.204 29.700 0.042 0.000 0.926 1417 E HN 0.620 nan 8.360 nan 0.000 0.459 1418 L N 3.465 124.715 121.223 0.044 0.000 2.282 1418 L HA 0.210 4.551 4.340 0.003 0.000 0.288 1418 L C -0.371 176.535 176.870 0.060 0.000 1.033 1418 L CA -0.288 54.568 54.840 0.026 0.000 0.807 1418 L CB 1.075 43.108 42.059 -0.044 0.000 1.209 1418 L HN 0.421 nan 8.230 nan 0.000 0.423 1419 D N 2.912 123.359 120.400 0.079 0.000 2.225 1419 D HA 0.038 4.679 4.640 0.003 0.000 0.248 1419 D C 0.096 176.419 176.300 0.038 0.000 1.096 1419 D CA -0.140 53.916 54.000 0.093 0.000 0.863 1419 D CB 1.799 42.703 40.800 0.173 0.000 1.156 1419 D HN 0.662 nan 8.370 nan 0.000 0.450 1420 D N 1.694 122.118 120.400 0.039 0.000 2.103 1420 D HA -0.095 4.547 4.640 0.003 0.000 0.199 1420 D C 0.444 176.756 176.300 0.021 0.000 0.978 1420 D CA 0.581 54.595 54.000 0.024 0.000 0.829 1420 D CB -0.004 40.812 40.800 0.026 0.000 0.981 1420 D HN 0.567 nan 8.370 nan 0.000 0.464 1421 C N 0.612 119.928 119.300 0.027 0.000 4.484 1421 C HA -0.115 4.347 4.460 0.003 0.000 0.308 1421 C C 0.921 175.922 174.990 0.018 0.000 1.291 1421 C CA -0.047 58.983 59.018 0.020 0.000 2.078 1421 C CB -1.923 25.823 27.740 0.010 0.000 1.257 1421 C HN 0.388 nan 8.230 nan 0.000 0.736 1422 R N -0.251 120.263 120.500 0.024 0.000 2.531 1422 R HA 0.288 4.630 4.340 0.003 0.000 0.316 1422 R C 0.712 177.025 176.300 0.022 0.000 0.955 1422 R CA 0.717 56.834 56.100 0.027 0.000 1.120 1422 R CB 0.637 30.963 30.300 0.043 0.000 1.361 1422 R HN 0.586 nan 8.270 nan 0.000 0.534 1423 G N 1.012 109.822 108.800 0.017 0.000 2.866 1423 G HA2 0.429 4.390 3.960 0.003 0.000 0.318 1423 G HA3 0.429 4.390 3.960 0.003 0.000 0.318 1423 G C 0.930 175.831 174.900 0.001 0.000 1.336 1423 G CA -0.410 44.696 45.100 0.010 0.000 1.067 1423 G HN -0.140 nan 8.290 nan 0.000 0.515 1424 V N 2.751 122.657 119.914 -0.013 0.000 1.262 1424 V HA -0.427 3.695 4.120 0.003 0.000 0.113 1424 V C 2.862 178.951 176.094 -0.008 0.000 1.035 1424 V CA 2.796 65.084 62.300 -0.020 0.000 2.772 1424 V CB -1.630 30.177 31.823 -0.028 0.000 0.671 1424 V HN 0.605 nan 8.190 nan 0.000 0.365 1425 S N -0.796 114.905 115.700 0.001 0.000 2.392 1425 S HA -0.309 4.162 4.470 0.003 0.000 0.232 1425 S C 1.735 176.346 174.600 0.020 0.000 1.041 1425 S CA 2.263 60.471 58.200 0.013 0.000 1.026 1425 S CB -0.455 62.760 63.200 0.025 0.000 0.845 1425 S HN 0.799 nan 8.310 nan 0.000 0.465 1426 E N 1.065 121.278 120.200 0.023 0.000 2.051 1426 E HA -0.075 4.276 4.350 0.003 0.000 0.192 1426 E C 1.785 178.395 176.600 0.017 0.000 0.991 1426 E CA 1.164 57.583 56.400 0.030 0.000 0.799 1426 E CB -0.115 29.607 29.700 0.035 0.000 0.748 1426 E HN 0.553 nan 8.360 nan 0.000 0.449 1427 N N 0.080 118.783 118.700 0.005 0.000 2.463 1427 N HA -0.047 4.695 4.740 0.003 0.000 0.181 1427 N C 1.656 177.161 175.510 -0.007 0.000 1.078 1427 N CA 0.307 53.355 53.050 -0.004 0.000 0.902 1427 N CB 0.486 38.966 38.487 -0.012 0.000 0.970 1427 N HN -0.001 nan 8.380 nan 0.000 0.451 1428 V N 1.936 121.847 119.914 -0.006 0.000 2.307 1428 V HA -0.136 3.986 4.120 0.003 0.000 0.245 1428 V C 2.166 178.260 176.094 -0.001 0.000 1.045 1428 V CA 1.250 63.545 62.300 -0.008 0.000 1.024 1428 V CB -0.239 31.579 31.823 -0.008 0.000 0.651 1428 V HN 0.200 nan 8.190 nan 0.000 0.449 1429 I N -0.208 120.366 120.570 0.008 0.000 2.916 1429 I HA -0.142 4.029 4.170 0.003 0.000 0.267 1429 I C 1.306 177.431 176.117 0.013 0.000 1.263 1429 I CA 1.287 62.596 61.300 0.015 0.000 1.471 1429 I CB 0.022 38.039 38.000 0.029 0.000 1.089 1429 I HN 0.295 nan 8.210 nan 0.000 0.468 1430 L N -0.528 120.699 121.223 0.007 0.000 3.069 1430 L HA 0.445 4.786 4.340 0.003 0.000 0.271 1430 L C 1.053 177.921 176.870 -0.003 0.000 1.201 1430 L CA -0.249 54.593 54.840 0.003 0.000 1.015 1430 L CB 0.048 42.107 42.059 0.000 0.000 1.371 1430 L HN 0.150 nan 8.230 nan 0.000 0.574 1431 G N 1.388 110.185 108.800 -0.006 0.000 2.372 1431 G HA2 -0.266 3.696 3.960 0.003 0.000 0.297 1431 G HA3 -0.266 3.696 3.960 0.003 0.000 0.297 1431 G C -0.144 174.748 174.900 -0.014 0.000 1.005 1431 G CA 0.320 45.414 45.100 -0.010 0.000 1.173 1431 G HN 0.505 nan 8.290 nan 0.000 0.511 1432 Q N -0.933 118.858 119.800 -0.016 0.000 2.297 1432 Q HA 0.637 4.979 4.340 0.003 0.000 0.269 1432 Q C 0.665 176.648 176.000 -0.028 0.000 1.051 1432 Q CA -1.084 54.707 55.803 -0.020 0.000 0.869 1432 Q CB 1.400 30.128 28.738 -0.017 0.000 1.346 1432 Q HN 0.435 nan 8.270 nan 0.000 0.457 1433 M N 1.972 121.551 119.600 -0.034 0.000 2.350 1433 M HA 0.248 4.730 4.480 0.003 0.000 0.338 1433 M C -0.828 175.440 176.300 -0.053 0.000 1.559 1433 M CA -0.190 55.082 55.300 -0.047 0.000 1.217 1433 M CB 0.008 32.576 32.600 -0.054 0.000 1.808 1433 M HN 0.720 nan 8.290 nan 0.000 0.458 1434 A N 7.571 130.359 122.820 -0.052 0.000 2.492 1434 A HA 0.368 4.689 4.320 0.003 0.000 0.254 1434 A C -2.232 175.309 177.584 -0.072 0.000 1.091 1434 A CA -1.276 50.730 52.037 -0.051 0.000 0.768 1434 A CB -0.602 18.371 19.000 -0.044 0.000 1.028 1434 A HN 0.631 nan 8.150 nan 0.000 0.498 1435 P HA 0.050 nan 4.420 nan 0.000 0.212 1435 P C -0.863 176.375 177.300 -0.104 0.000 1.069 1435 P CA 1.261 64.313 63.100 -0.079 0.000 1.331 1435 P CB -0.515 31.163 31.700 -0.036 0.000 1.513 1436 I N 0.571 121.061 120.570 -0.133 0.000 2.680 1436 I HA 0.260 4.431 4.170 0.003 0.000 0.291 1436 I C 1.374 177.400 176.117 -0.153 0.000 1.244 1436 I CA -0.717 60.504 61.300 -0.132 0.000 1.042 1436 I CB 2.153 40.093 38.000 -0.102 0.000 1.277 1436 I HN 0.370 nan 8.210 nan 0.000 0.423 1437 G N 4.033 112.749 108.800 -0.141 0.000 2.669 1437 G HA2 -0.423 3.539 3.960 0.003 0.000 0.365 1437 G HA3 -0.423 3.539 3.960 0.003 0.000 0.365 1437 G C 1.040 175.839 174.900 -0.169 0.000 1.119 1437 G CA 1.633 46.667 45.100 -0.110 0.000 0.908 1437 G HN 0.552 nan 8.290 nan 0.000 0.615 1438 T N 1.457 115.929 114.554 -0.137 0.000 2.896 1438 T HA 0.011 4.362 4.350 0.003 0.000 0.270 1438 T C 1.968 176.409 174.700 -0.432 0.000 1.104 1438 T CA 2.234 64.216 62.100 -0.197 0.000 1.115 1438 T CB -0.467 68.352 68.868 -0.081 0.000 0.843 1438 T HN 1.130 nan 8.240 nan 0.000 0.523 1439 G N -0.769 107.810 108.800 -0.368 0.000 3.324 1439 G HA2 0.454 4.415 3.960 0.003 0.000 0.251 1439 G HA3 0.454 4.415 3.960 0.003 0.000 0.251 1439 G C 1.380 176.062 174.900 -0.363 0.000 1.072 1439 G CA 0.529 45.419 45.100 -0.350 0.000 0.787 1439 G HN 0.459 nan 8.290 nan 0.000 0.537 1440 A N 0.749 123.302 122.820 -0.445 0.000 1.898 1440 A HA 0.377 4.698 4.320 0.003 0.000 0.216 1440 A C 0.937 178.503 177.584 -0.030 0.000 1.181 1440 A CA 0.685 52.615 52.037 -0.178 0.000 0.620 1440 A CB -0.390 18.585 19.000 -0.042 0.000 0.819 1440 A HN 0.504 nan 8.150 nan 0.000 0.442 1441 F N -1.567 118.463 119.950 0.133 0.000 2.518 1441 F HA 0.741 5.270 4.527 0.002 0.000 0.338 1441 F C -0.656 175.171 175.800 0.046 0.000 1.065 1441 F CA -2.192 55.864 58.000 0.093 0.000 1.012 1441 F CB 0.540 39.592 39.000 0.087 0.000 1.297 1441 F HN -0.149 nan 8.300 nan 0.000 0.489 1442 D N 0.522 121.104 120.400 0.302 0.000 2.228 1442 D HA 0.477 5.119 4.640 0.003 0.000 0.247 1442 D C -0.908 175.540 176.300 0.248 0.000 0.995 1442 D CA -0.284 53.834 54.000 0.197 0.000 0.903 1442 D CB 2.777 43.636 40.800 0.099 0.000 1.205 1442 D HN 0.320 nan 8.370 nan 0.000 0.459 1443 V N 2.798 122.824 119.914 0.187 0.000 2.427 1443 V HA 0.435 4.557 4.120 0.003 0.000 0.286 1443 V C 0.325 176.459 176.094 0.067 0.000 1.034 1443 V CA -0.356 62.021 62.300 0.128 0.000 0.893 1443 V CB 1.339 33.242 31.823 0.134 0.000 0.982 1443 V HN 0.398 nan 8.190 nan 0.000 0.452 1444 M N 5.103 124.726 119.600 0.038 0.000 2.644 1444 M HA 0.631 5.113 4.480 0.003 0.000 0.304 1444 M C -0.937 175.370 176.300 0.012 0.000 1.215 1444 M CA -0.663 54.650 55.300 0.022 0.000 0.871 1444 M CB 2.258 34.867 32.600 0.015 0.000 1.740 1444 M HN 0.507 nan 8.290 nan 0.000 0.464 1445 I N 0.000 120.576 120.570 0.010 0.000 2.984 1445 I HA 0.000 4.172 4.170 0.003 0.000 0.288 1445 I CA 0.000 61.304 61.300 0.007 0.000 1.566 1445 I CB 0.000 38.006 38.000 0.011 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494