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 3gtg_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 PSEDDPTQLV SRGGCGNTQP TIRKDGLKLV GSWKKDRATG DADEPELRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLN TFHFAGVASK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLLDEXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VRPKSLDAET DATA SEQUENCE EAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMIDEESLV 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 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.905 174.900 0.008 0.000 0.946 3 G CA 0.000 45.104 45.100 0.007 0.000 0.502 4 Q N -1.338 118.471 119.800 0.014 0.000 1.841 4 Q HA 0.481 4.821 4.340 -0.000 0.000 0.150 4 Q C 0.146 176.162 176.000 0.026 0.000 0.511 4 Q CA -0.099 55.713 55.803 0.015 0.000 0.798 4 Q CB 1.394 30.139 28.738 0.011 0.000 0.961 4 Q HN 0.291 nan 8.270 nan 0.000 0.280 5 Q N -1.192 118.632 119.800 0.039 0.000 2.832 5 Q HA 0.394 4.734 4.340 -0.000 0.000 0.329 5 Q C -1.932 174.138 176.000 0.115 0.000 0.816 5 Q CA -0.711 55.134 55.803 0.070 0.000 0.804 5 Q CB 2.112 30.883 28.738 0.055 0.000 1.376 5 Q HN 0.196 nan 8.270 nan 0.000 0.503 6 Y N 0.550 120.850 120.300 -0.000 0.000 2.360 6 Y HA 0.611 5.161 4.550 -0.000 0.000 0.337 6 Y C -0.639 175.263 175.900 0.004 0.000 1.039 6 Y CA -0.068 58.033 58.100 0.002 0.000 1.109 6 Y CB 1.729 40.190 38.460 0.002 0.000 1.201 6 Y HN 0.486 nan 8.280 nan 0.000 0.458 7 S N 2.323 117.695 115.700 -0.547 0.000 2.638 7 S HA 0.445 4.915 4.470 -0.000 0.000 0.302 7 S C -0.216 174.035 174.600 -0.582 0.000 1.096 7 S CA -0.202 57.764 58.200 -0.390 0.000 0.953 7 S CB 1.248 64.309 63.200 -0.231 0.000 1.107 7 S HN 0.814 nan 8.310 nan 0.000 0.503 8 S N 1.506 117.056 115.700 -0.250 0.000 2.481 8 S HA 0.618 5.088 4.470 -0.000 0.000 0.243 8 S C -0.143 174.391 174.600 -0.110 0.000 1.152 8 S CA -0.212 57.894 58.200 -0.157 0.000 1.168 8 S CB -0.618 62.571 63.200 -0.019 0.000 0.835 8 S HN 1.181 nan 8.310 nan 0.000 0.474 9 A N 2.081 124.816 122.820 -0.142 0.000 2.385 9 A HA 0.727 5.047 4.320 -0.000 0.000 0.290 9 A C -2.749 174.781 177.584 -0.091 0.000 1.094 9 A CA -1.375 50.610 52.037 -0.087 0.000 0.729 9 A CB 0.261 19.222 19.000 -0.065 0.000 1.194 9 A HN 0.481 nan 8.150 nan 0.000 0.442 10 P HA 0.258 nan 4.420 nan 0.000 0.264 10 P C -0.353 176.923 177.300 -0.041 0.000 1.183 10 P CA -0.148 62.925 63.100 -0.046 0.000 0.763 10 P CB 0.330 32.017 31.700 -0.022 0.000 0.807 11 L N 3.840 125.041 121.223 -0.037 0.000 2.319 11 L HA 0.394 4.734 4.340 -0.000 0.000 0.280 11 L C -0.061 176.802 176.870 -0.013 0.000 1.099 11 L CA 0.463 55.288 54.840 -0.025 0.000 0.828 11 L CB 0.136 42.182 42.059 -0.021 0.000 1.150 11 L HN 0.303 nan 8.230 nan 0.000 0.442 12 R N 2.455 122.949 120.500 -0.011 0.000 2.888 12 R HA 0.648 4.988 4.340 -0.000 0.000 0.264 12 R C -0.424 175.872 176.300 -0.007 0.000 1.045 12 R CA -0.854 55.242 56.100 -0.007 0.000 0.962 12 R CB 1.846 32.142 30.300 -0.006 0.000 1.210 12 R HN 0.711 nan 8.270 nan 0.000 0.479 13 T N 0.118 114.669 114.554 -0.005 0.000 2.788 13 T HA 0.223 4.573 4.350 -0.000 0.000 0.280 13 T C -0.169 174.526 174.700 -0.009 0.000 0.984 13 T CA -0.554 61.542 62.100 -0.006 0.000 0.972 13 T CB 1.094 69.958 68.868 -0.005 0.000 1.039 13 T HN 0.069 nan 8.240 nan 0.000 0.530 14 V N 2.173 122.080 119.914 -0.012 0.000 2.407 14 V HA 0.268 4.388 4.120 -0.000 0.000 0.278 14 V C 0.591 176.675 176.094 -0.017 0.000 1.037 14 V CA -0.232 62.058 62.300 -0.017 0.000 0.900 14 V CB 1.349 33.159 31.823 -0.021 0.000 0.983 14 V HN 0.721 nan 8.190 nan 0.000 0.459 15 K N 3.208 123.597 120.400 -0.020 0.000 2.266 15 K HA 0.321 4.641 4.320 -0.000 0.000 0.209 15 K C 0.206 176.792 176.600 -0.023 0.000 1.065 15 K CA 0.439 56.717 56.287 -0.016 0.000 0.946 15 K CB 0.496 32.990 32.500 -0.011 0.000 1.069 15 K HN 0.654 nan 8.250 nan 0.000 0.472 16 E N 1.122 121.301 120.200 -0.035 0.000 2.207 16 E HA 0.402 4.752 4.350 -0.000 0.000 0.270 16 E C -1.119 175.429 176.600 -0.087 0.000 0.927 16 E CA -0.655 55.714 56.400 -0.052 0.000 0.799 16 E CB 2.832 32.500 29.700 -0.053 0.000 1.172 16 E HN -0.237 nan 8.360 nan 0.000 0.404 17 V N 2.841 122.681 119.914 -0.122 0.000 2.409 17 V HA 0.171 4.291 4.120 -0.000 0.000 0.291 17 V C -0.581 175.316 176.094 -0.329 0.000 1.020 17 V CA -0.676 61.478 62.300 -0.243 0.000 0.848 17 V CB 1.577 33.238 31.823 -0.269 0.000 0.990 17 V HN 0.569 nan 8.190 nan 0.000 0.430 18 Q N 4.599 124.184 119.800 -0.357 0.000 2.508 18 Q HA 0.428 4.768 4.340 -0.000 0.000 0.247 18 Q C -1.019 174.815 176.000 -0.276 0.000 1.047 18 Q CA -0.431 55.201 55.803 -0.286 0.000 0.783 18 Q CB 0.936 29.552 28.738 -0.205 0.000 1.172 18 Q HN 0.599 nan 8.270 nan 0.000 0.515 19 F N 0.936 120.839 119.950 -0.079 0.000 2.495 19 F HA 0.495 5.022 4.527 -0.000 0.000 0.365 19 F C 1.379 177.163 175.800 -0.027 0.000 1.090 19 F CA 0.673 58.648 58.000 -0.042 0.000 1.235 19 F CB 1.063 40.038 39.000 -0.042 0.000 1.119 19 F HN 0.507 nan 8.300 nan 0.000 0.562 20 G N 2.910 111.826 108.800 0.192 0.000 2.871 20 G HA2 0.730 4.690 3.960 -0.000 0.000 0.282 20 G HA3 0.730 4.690 3.960 -0.000 0.000 0.282 20 G C -1.813 173.137 174.900 0.084 0.000 1.212 20 G CA -0.774 44.424 45.100 0.164 0.000 0.812 20 G HN 0.471 nan 8.290 nan 0.000 0.547 21 L N -0.538 120.710 121.223 0.041 0.000 2.424 21 L HA 0.541 4.881 4.340 -0.000 0.000 0.258 21 L C -1.346 175.444 176.870 -0.135 0.000 0.995 21 L CA -0.729 54.139 54.840 0.047 0.000 0.821 21 L CB 2.876 45.050 42.059 0.192 0.000 1.383 21 L HN 0.439 nan 8.230 nan 0.000 0.410 22 F N 0.945 120.869 119.950 -0.043 0.000 2.420 22 F HA 0.277 4.804 4.527 -0.000 0.000 0.352 22 F C 0.767 176.311 175.800 -0.428 0.000 1.108 22 F CA -0.202 57.667 58.000 -0.218 0.000 1.162 22 F CB 1.597 40.517 39.000 -0.134 0.000 1.118 22 F HN 0.338 nan 8.300 nan 0.000 0.510 23 S N 4.923 120.232 115.700 -0.651 0.000 2.480 23 S HA 0.336 4.806 4.470 -0.000 0.000 0.286 23 S C -1.705 172.623 174.600 -0.454 0.000 1.180 23 S CA -1.516 56.048 58.200 -1.060 0.000 1.075 23 S CB 1.595 63.697 63.200 -1.830 0.000 0.996 23 S HN 0.385 nan 8.310 nan 0.000 0.487 24 P HA -0.258 nan 4.420 nan 0.000 0.221 24 P C 1.075 178.277 177.300 -0.164 0.000 1.153 24 P CA 1.612 64.626 63.100 -0.143 0.000 0.858 24 P CB 0.174 31.847 31.700 -0.045 0.000 0.783 25 E N -0.545 119.530 120.200 -0.209 0.000 2.072 25 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 25 E C 2.143 178.633 176.600 -0.184 0.000 0.982 25 E CA 0.729 57.029 56.400 -0.165 0.000 0.803 25 E CB -0.079 29.544 29.700 -0.127 0.000 0.755 25 E HN 0.293 nan 8.360 nan 0.000 0.453 26 E N -0.222 119.830 120.200 -0.247 0.000 1.999 26 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 26 E C 2.188 178.701 176.600 -0.144 0.000 0.995 26 E CA 1.354 57.639 56.400 -0.192 0.000 0.825 26 E CB -0.030 29.534 29.700 -0.227 0.000 0.777 26 E HN 0.072 nan 8.360 nan 0.000 0.459 27 V N 1.379 121.219 119.914 -0.123 0.000 2.277 27 V HA -0.349 3.771 4.120 -0.000 0.000 0.253 27 V C 2.426 178.389 176.094 -0.218 0.000 1.067 27 V CA 2.244 64.471 62.300 -0.122 0.000 1.047 27 V CB -0.624 31.128 31.823 -0.118 0.000 0.649 27 V HN 0.275 nan 8.190 nan 0.000 0.447 28 R N -0.247 120.083 120.500 -0.283 0.000 2.193 28 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 28 R C 1.606 177.668 176.300 -0.395 0.000 1.110 28 R CA 1.295 57.105 56.100 -0.483 0.000 0.988 28 R CB -0.153 29.974 30.300 -0.289 0.000 0.871 28 R HN 0.559 nan 8.270 nan 0.000 0.458 29 A N -0.681 122.009 122.820 -0.216 0.000 2.589 29 A HA 0.216 4.536 4.320 -0.000 0.000 0.283 29 A C 1.035 178.570 177.584 -0.081 0.000 1.187 29 A CA -0.397 51.563 52.037 -0.129 0.000 0.957 29 A CB 0.305 19.247 19.000 -0.097 0.000 1.175 29 A HN 0.278 nan 8.150 nan 0.000 0.532 30 I N 0.030 120.554 120.570 -0.078 0.000 3.941 30 I HA 0.099 4.269 4.170 -0.000 0.000 0.321 30 I C 0.542 176.684 176.117 0.042 0.000 1.284 30 I CA 0.670 61.956 61.300 -0.022 0.000 1.226 30 I CB 0.461 38.446 38.000 -0.025 0.000 1.045 30 I HN 0.373 nan 8.210 nan 0.000 0.420 31 S N -1.237 114.507 115.700 0.074 0.000 2.667 31 S HA 0.380 4.850 4.470 -0.000 0.000 0.292 31 S C 0.414 175.116 174.600 0.170 0.000 1.126 31 S CA -0.325 57.980 58.200 0.175 0.000 0.881 31 S CB 1.698 65.063 63.200 0.275 0.000 1.132 31 S HN -0.051 nan 8.310 nan 0.000 0.492 32 V N -2.430 117.571 119.914 0.145 0.000 3.590 32 V HA 0.564 4.684 4.120 -0.000 0.000 0.265 32 V C 0.854 176.996 176.094 0.080 0.000 1.239 32 V CA 0.418 62.771 62.300 0.088 0.000 1.117 32 V CB -1.098 30.743 31.823 0.031 0.000 0.818 32 V HN 1.020 nan 8.190 nan 0.000 0.451 33 A N 0.521 123.387 122.820 0.078 0.000 2.274 33 A HA 0.571 4.891 4.320 -0.000 0.000 0.309 33 A C 1.018 178.485 177.584 -0.195 0.000 1.226 33 A CA -0.475 51.546 52.037 -0.026 0.000 0.853 33 A CB 0.976 19.958 19.000 -0.030 0.000 1.146 33 A HN 0.344 nan 8.150 nan 0.000 0.518 34 K N 1.791 122.108 120.400 -0.137 0.000 2.025 34 K HA 0.050 4.369 4.320 -0.000 0.000 0.207 34 K C -0.088 176.368 176.600 -0.241 0.000 1.049 34 K CA 1.018 57.196 56.287 -0.182 0.000 0.933 34 K CB -0.203 32.276 32.500 -0.036 0.000 0.714 34 K HN 0.698 nan 8.250 nan 0.000 0.438 35 I N 1.369 121.863 120.570 -0.126 0.000 6.963 35 I HA -0.283 3.887 4.170 -0.000 0.000 0.126 35 I C 0.301 176.378 176.117 -0.066 0.000 1.830 35 I CA 0.620 61.865 61.300 -0.091 0.000 2.046 35 I CB -1.718 36.197 38.000 -0.143 0.000 3.568 35 I HN 0.342 nan 8.210 nan 0.000 0.172 36 R N 0.792 121.297 120.500 0.008 0.000 2.237 36 R HA 0.291 4.631 4.340 -0.000 0.000 0.195 36 R C 0.111 176.219 176.300 -0.320 0.000 0.956 36 R CA 0.789 56.814 56.100 -0.126 0.000 1.029 36 R CB 0.446 30.692 30.300 -0.090 0.000 0.972 36 R HN 0.241 nan 8.270 nan 0.000 0.493 37 F N 0.895 120.814 119.950 -0.053 0.000 2.520 37 F HA 0.346 4.873 4.527 -0.000 0.000 0.322 37 F C -1.873 173.894 175.800 -0.056 0.000 1.103 37 F CA -2.792 55.181 58.000 -0.046 0.000 0.926 37 F CB 2.044 41.019 39.000 -0.042 0.000 1.154 37 F HN -0.213 nan 8.300 nan 0.000 0.453 38 P HA 0.233 nan 4.420 nan 0.000 0.231 38 P C -0.676 176.645 177.300 0.035 0.000 1.833 38 P CA 0.206 63.321 63.100 0.025 0.000 1.023 38 P CB 0.311 32.007 31.700 -0.007 0.000 1.643 39 E N -0.954 119.278 120.200 0.053 0.000 2.754 39 E HA 0.435 4.785 4.350 -0.000 0.000 0.224 39 E C 0.585 177.167 176.600 -0.030 0.000 0.851 39 E CA -0.451 55.961 56.400 0.020 0.000 1.047 39 E CB 0.578 30.300 29.700 0.037 0.000 1.584 39 E HN -0.196 nan 8.360 nan 0.000 0.429 40 T N -0.829 113.698 114.554 -0.045 0.000 3.221 40 T HA 0.310 4.660 4.350 -0.000 0.000 0.250 40 T C -0.178 174.482 174.700 -0.066 0.000 0.988 40 T CA 0.155 62.213 62.100 -0.070 0.000 1.163 40 T CB 0.543 69.361 68.868 -0.084 0.000 1.098 40 T HN 0.260 nan 8.240 nan 0.000 0.422 41 M N -0.111 119.452 119.600 -0.062 0.000 3.643 41 M HA 0.425 4.905 4.480 -0.000 0.000 0.321 41 M C -2.430 173.839 176.300 -0.052 0.000 1.394 41 M CA -0.715 54.555 55.300 -0.050 0.000 0.893 41 M CB 1.651 34.228 32.600 -0.039 0.000 1.901 41 M HN -0.126 nan 8.290 nan 0.000 0.513 42 D N 0.850 121.225 120.400 -0.041 0.000 2.185 42 D HA 0.383 5.022 4.640 -0.000 0.000 0.247 42 D C -1.057 175.215 176.300 -0.045 0.000 1.027 42 D CA 0.022 53.996 54.000 -0.042 0.000 0.861 42 D CB 1.357 42.139 40.800 -0.029 0.000 1.202 42 D HN 0.592 nan 8.370 nan 0.000 0.453 43 E N 0.914 121.084 120.200 -0.051 0.000 2.232 43 E HA 0.182 4.532 4.350 -0.000 0.000 0.296 43 E C -0.552 176.026 176.600 -0.037 0.000 1.372 43 E CA -0.210 56.158 56.400 -0.054 0.000 1.527 43 E CB -0.120 29.540 29.700 -0.067 0.000 1.424 43 E HN 0.373 nan 8.360 nan 0.000 0.485 44 T N 1.693 116.231 114.554 -0.027 0.000 3.730 44 T HA -0.259 4.091 4.350 -0.000 0.000 0.391 44 T C -0.051 174.638 174.700 -0.018 0.000 0.763 44 T CA 0.601 62.690 62.100 -0.018 0.000 2.052 44 T CB -1.607 67.252 68.868 -0.015 0.000 1.751 44 T HN 0.745 nan 8.240 nan 0.000 0.772 45 Q N -1.853 117.936 119.800 -0.018 0.000 2.454 45 Q HA -0.165 4.175 4.340 -0.000 0.000 0.307 45 Q C 0.466 176.453 176.000 -0.022 0.000 1.430 45 Q CA 1.062 56.854 55.803 -0.018 0.000 0.786 45 Q CB -2.082 26.648 28.738 -0.014 0.000 1.115 45 Q HN 0.851 nan 8.270 nan 0.000 0.389 46 T N -2.539 111.999 114.554 -0.028 0.000 3.209 46 T HA 0.283 4.633 4.350 -0.000 0.000 0.295 46 T C 0.675 175.355 174.700 -0.034 0.000 0.977 46 T CA 0.004 62.086 62.100 -0.031 0.000 0.922 46 T CB 0.498 69.345 68.868 -0.035 0.000 1.152 46 T HN 0.354 nan 8.240 nan 0.000 0.527 47 R N 1.196 121.676 120.500 -0.033 0.000 1.732 47 R HA -0.271 4.069 4.340 -0.000 0.000 0.091 47 R C 1.139 177.414 176.300 -0.042 0.000 0.933 47 R CA 2.157 58.235 56.100 -0.036 0.000 1.938 47 R CB -2.131 28.148 30.300 -0.035 0.000 0.530 47 R HN 1.038 nan 8.270 nan 0.000 0.704 48 A N -1.478 121.315 122.820 -0.044 0.000 6.082 48 A HA -0.315 4.005 4.320 -0.000 0.000 0.269 48 A C 0.842 178.393 177.584 -0.054 0.000 2.078 48 A CA 1.939 53.944 52.037 -0.053 0.000 0.711 48 A CB -1.051 17.912 19.000 -0.062 0.000 1.114 48 A HN 0.262 nan 8.150 nan 0.000 0.371 49 K N -1.454 118.908 120.400 -0.064 0.000 2.324 49 K HA 0.498 4.818 4.320 -0.000 0.000 0.222 49 K C 1.623 178.184 176.600 -0.065 0.000 1.107 49 K CA 0.993 57.243 56.287 -0.062 0.000 0.873 49 K CB -0.619 31.843 32.500 -0.064 0.000 1.270 49 K HN 0.771 nan 8.250 nan 0.000 0.456 50 I N -0.183 120.342 120.570 -0.075 0.000 3.783 50 I HA 0.307 4.477 4.170 -0.000 0.000 0.272 50 I C -0.106 175.952 176.117 -0.099 0.000 1.329 50 I CA -0.600 60.643 61.300 -0.095 0.000 0.887 50 I CB 1.577 39.505 38.000 -0.120 0.000 1.596 50 I HN 0.261 nan 8.210 nan 0.000 0.712 51 G N 0.181 108.899 108.800 -0.136 0.000 4.649 51 G HA2 0.470 4.430 3.960 -0.000 0.000 0.312 51 G HA3 0.470 4.430 3.960 -0.000 0.000 0.312 51 G C 0.045 174.854 174.900 -0.152 0.000 1.403 51 G CA 0.266 45.292 45.100 -0.123 0.000 1.248 51 G HN 0.917 nan 8.290 nan 0.000 0.581 52 G N 0.128 108.872 108.800 -0.094 0.000 2.351 52 G HA2 0.139 4.099 3.960 -0.000 0.000 0.169 52 G HA3 0.139 4.099 3.960 -0.000 0.000 0.169 52 G C 0.766 175.721 174.900 0.092 0.000 1.484 52 G CA 0.431 45.552 45.100 0.035 0.000 0.715 52 G HN 0.372 nan 8.290 nan 0.000 1.084 53 L N 1.007 122.239 121.223 0.015 0.000 2.639 53 L HA 0.439 4.779 4.340 -0.000 0.000 0.183 53 L C -0.063 176.783 176.870 -0.040 0.000 1.308 53 L CA 0.347 55.180 54.840 -0.012 0.000 0.875 53 L CB 0.361 42.400 42.059 -0.033 0.000 1.189 53 L HN 0.198 nan 8.230 nan 0.000 0.523 54 N N -0.452 118.216 118.700 -0.054 0.000 2.936 54 N HA 0.234 4.974 4.740 -0.000 0.000 0.243 54 N C -0.795 174.685 175.510 -0.050 0.000 1.149 54 N CA -0.261 52.753 53.050 -0.060 0.000 0.914 54 N CB 1.219 39.658 38.487 -0.079 0.000 1.179 54 N HN 0.329 nan 8.380 nan 0.000 0.502 55 D N -0.062 120.316 120.400 -0.036 0.000 1.948 55 D HA 0.101 4.741 4.640 -0.000 0.000 0.376 55 D C -2.284 174.007 176.300 -0.016 0.000 1.209 55 D CA 0.233 54.216 54.000 -0.029 0.000 1.207 55 D CB -0.540 40.235 40.800 -0.042 0.000 1.980 55 D HN 0.164 nan 8.370 nan 0.000 0.471 56 P HA -0.027 nan 4.420 nan 0.000 0.198 56 P C -0.313 176.987 177.300 0.001 0.000 0.910 56 P CA 0.830 63.925 63.100 -0.009 0.000 1.202 56 P CB -0.173 31.521 31.700 -0.009 0.000 1.231 57 R N -0.359 120.141 120.500 0.000 0.000 3.936 57 R HA -0.153 4.187 4.340 -0.000 0.000 0.366 57 R C -0.077 176.244 176.300 0.035 0.000 1.158 57 R CA 0.650 56.750 56.100 0.000 0.000 0.969 57 R CB -2.123 28.170 30.300 -0.012 0.000 1.504 57 R HN 0.521 nan 8.270 nan 0.000 0.538 58 L N -1.250 120.002 121.223 0.048 0.000 2.849 58 L HA 0.566 4.906 4.340 -0.000 0.000 0.256 58 L C -1.098 175.783 176.870 0.019 0.000 0.951 58 L CA 0.518 55.411 54.840 0.089 0.000 1.003 58 L CB 1.723 43.840 42.059 0.095 0.000 1.408 58 L HN 0.308 nan 8.230 nan 0.000 0.463 59 G N 2.410 111.217 108.800 0.012 0.000 1.974 59 G HA2 0.394 4.354 3.960 -0.000 0.000 0.303 59 G HA3 0.394 4.354 3.960 -0.000 0.000 0.303 59 G C -1.206 173.678 174.900 -0.027 0.000 2.080 59 G CA 0.029 45.115 45.100 -0.024 0.000 0.896 59 G HN 0.731 nan 8.290 nan 0.000 0.514 60 S N 1.824 117.498 115.700 -0.043 0.000 2.605 60 S HA 0.751 5.221 4.470 -0.000 0.000 0.308 60 S C 0.464 175.036 174.600 -0.048 0.000 1.113 60 S CA -0.909 57.266 58.200 -0.041 0.000 1.049 60 S CB 1.705 64.878 63.200 -0.045 0.000 1.001 60 S HN 0.439 nan 8.310 nan 0.000 0.480 61 I N 0.586 121.132 120.570 -0.041 0.000 4.916 61 I HA 0.280 4.449 4.170 -0.000 0.000 0.335 61 I C 0.040 176.135 176.117 -0.037 0.000 1.274 61 I CA 0.274 61.548 61.300 -0.042 0.000 1.365 61 I CB -0.005 37.968 38.000 -0.046 0.000 1.395 61 I HN 0.633 nan 8.210 nan 0.000 0.485 62 D N 1.179 121.559 120.400 -0.033 0.000 2.952 62 D HA 0.324 4.964 4.640 -0.000 0.000 0.373 62 D C 0.015 176.300 176.300 -0.025 0.000 1.360 62 D CA -0.213 53.769 54.000 -0.030 0.000 0.788 62 D CB 0.235 41.016 40.800 -0.031 0.000 1.192 62 D HN -0.154 nan 8.370 nan 0.000 0.462 63 R N 0.308 120.794 120.500 -0.024 0.000 3.322 63 R HA -0.214 4.126 4.340 -0.000 0.000 0.253 63 R C -1.075 175.215 176.300 -0.016 0.000 0.987 63 R CA 0.539 56.628 56.100 -0.019 0.000 0.666 63 R CB -2.230 28.060 30.300 -0.016 0.000 1.072 63 R HN 0.436 nan 8.270 nan 0.000 0.447 64 N N 0.353 119.043 118.700 -0.017 0.000 2.419 64 N HA 0.137 4.877 4.740 -0.000 0.000 0.277 64 N C 0.602 176.108 175.510 -0.007 0.000 1.006 64 N CA -0.812 52.230 53.050 -0.014 0.000 0.923 64 N CB 0.863 39.340 38.487 -0.017 0.000 1.140 64 N HN -0.084 nan 8.380 nan 0.000 0.488 65 L N 2.158 123.379 121.223 -0.002 0.000 2.551 65 L HA -0.015 4.324 4.340 -0.000 0.000 0.228 65 L C 1.772 178.650 176.870 0.013 0.000 1.153 65 L CA 0.982 55.827 54.840 0.007 0.000 0.851 65 L CB -1.110 40.953 42.059 0.006 0.000 0.959 65 L HN 0.542 nan 8.230 nan 0.000 0.451 66 K N 0.934 121.337 120.400 0.006 0.000 2.520 66 K HA -0.098 4.221 4.320 -0.000 0.000 0.197 66 K C 0.882 177.492 176.600 0.016 0.000 1.043 66 K CA 0.509 56.799 56.287 0.004 0.000 0.944 66 K CB -0.676 31.821 32.500 -0.006 0.000 0.770 66 K HN 0.570 nan 8.250 nan 0.000 0.480 67 C N 2.767 122.091 119.300 0.040 0.000 2.669 67 C HA 0.153 4.613 4.460 -0.000 0.000 0.380 67 C C 0.609 175.635 174.990 0.060 0.000 1.145 67 C CA -1.060 58.010 59.018 0.086 0.000 1.349 67 C CB -2.019 25.817 27.740 0.159 0.000 1.941 67 C HN 0.586 nan 8.230 nan 0.000 0.559 68 Q N 1.261 121.065 119.800 0.007 0.000 2.385 68 Q HA -0.244 4.096 4.340 -0.000 0.000 0.311 68 Q C 0.283 176.264 176.000 -0.030 0.000 1.259 68 Q CA 1.372 57.154 55.803 -0.036 0.000 0.921 68 Q CB -3.097 25.584 28.738 -0.094 0.000 1.209 68 Q HN 1.253 nan 8.270 nan 0.000 0.473 69 T N -3.412 111.139 114.554 -0.006 0.000 3.708 69 T HA -0.355 3.994 4.350 -0.000 0.000 0.375 69 T C 1.118 175.821 174.700 0.006 0.000 0.763 69 T CA 0.771 62.871 62.100 0.000 0.000 1.915 69 T CB -1.967 66.897 68.868 -0.006 0.000 1.783 69 T HN 0.780 nan 8.240 nan 0.000 0.734 70 C N 0.265 119.583 119.300 0.030 0.000 2.419 70 C HA -0.036 4.424 4.460 -0.000 0.000 0.281 70 C C 1.921 176.937 174.990 0.044 0.000 1.336 70 C CA 1.252 60.305 59.018 0.058 0.000 1.770 70 C CB -1.165 26.680 27.740 0.175 0.000 1.929 70 C HN 0.933 nan 8.230 nan 0.000 0.509 71 Q N -1.807 118.013 119.800 0.033 0.000 0.903 71 Q HA -0.274 4.066 4.340 -0.000 0.000 0.328 71 Q C 0.836 176.850 176.000 0.024 0.000 1.052 71 Q CA 1.257 57.073 55.803 0.022 0.000 0.518 71 Q CB -0.793 27.954 28.738 0.016 0.000 5.039 71 Q HN 0.512 nan 8.270 nan 0.000 0.421 72 E N -2.150 118.060 120.200 0.017 0.000 4.665 72 E HA -0.361 3.989 4.350 -0.000 0.000 0.181 72 E C 0.622 177.227 176.600 0.008 0.000 1.307 72 E CA 2.713 59.121 56.400 0.014 0.000 2.299 72 E CB -1.704 28.007 29.700 0.018 0.000 1.862 72 E HN 1.245 nan 8.360 nan 0.000 0.373 73 G N -0.045 108.759 108.800 0.006 0.000 2.288 73 G HA2 0.189 4.149 3.960 -0.000 0.000 0.227 73 G HA3 0.189 4.149 3.960 -0.000 0.000 0.227 73 G C 0.094 174.987 174.900 -0.012 0.000 1.339 73 G CA 0.579 45.677 45.100 -0.002 0.000 1.057 73 G HN 0.453 nan 8.290 nan 0.000 0.470 74 M N -0.037 119.550 119.600 -0.020 0.000 2.347 74 M HA 0.509 4.989 4.480 -0.000 0.000 0.302 74 M C 0.966 177.245 176.300 -0.034 0.000 1.051 74 M CA 0.627 55.907 55.300 -0.035 0.000 0.988 74 M CB 0.399 32.977 32.600 -0.037 0.000 1.475 74 M HN 0.325 nan 8.290 nan 0.000 0.530 75 N N 0.350 119.036 118.700 -0.023 0.000 2.422 75 N HA 0.021 4.761 4.740 -0.000 0.000 0.181 75 N C 1.052 176.550 175.510 -0.020 0.000 1.080 75 N CA 0.756 53.794 53.050 -0.020 0.000 0.893 75 N CB 0.473 38.953 38.487 -0.012 0.000 0.973 75 N HN 0.512 nan 8.380 nan 0.000 0.456 76 E N -0.293 119.895 120.200 -0.020 0.000 3.416 76 E HA 0.198 4.548 4.350 -0.000 0.000 0.363 76 E C -0.359 176.219 176.600 -0.036 0.000 0.572 76 E CA 0.094 56.485 56.400 -0.016 0.000 1.746 76 E CB -0.283 29.417 29.700 0.000 0.000 2.273 76 E HN 0.136 nan 8.360 nan 0.000 0.514 77 C N 3.255 122.536 119.300 -0.031 0.000 2.360 77 C HA -0.125 4.335 4.460 -0.000 0.000 0.176 77 C C -1.288 173.588 174.990 -0.189 0.000 1.370 77 C CA -0.196 58.761 59.018 -0.101 0.000 2.610 77 C CB -1.586 26.061 27.740 -0.154 0.000 1.629 77 C HN 0.439 nan 8.230 nan 0.000 0.276 78 P HA 0.040 nan 4.420 nan 0.000 0.219 78 P C 0.812 178.034 177.300 -0.130 0.000 1.161 78 P CA 2.633 65.694 63.100 -0.065 0.000 0.909 78 P CB -0.135 31.574 31.700 0.016 0.000 0.793 79 G N -1.888 106.776 108.800 -0.227 0.000 2.482 79 G HA2 0.006 3.966 3.960 -0.000 0.000 0.201 79 G HA3 0.006 3.966 3.960 -0.000 0.000 0.201 79 G C -1.112 173.691 174.900 -0.161 0.000 3.137 79 G CA -0.744 44.198 45.100 -0.264 0.000 0.798 79 G HN 0.088 nan 8.290 nan 0.000 0.493 80 H N 1.434 120.467 119.070 -0.062 0.000 2.975 80 H HA 0.337 4.893 4.556 -0.000 0.000 0.303 80 H C 0.360 175.652 175.328 -0.059 0.000 1.023 80 H CA -0.237 55.807 56.048 -0.007 0.000 1.473 80 H CB 0.530 30.289 29.762 -0.005 0.000 1.498 80 H HN 0.331 nan 8.280 nan 0.000 0.549 81 F N 0.818 120.842 119.950 0.123 0.000 2.378 81 F HA 0.448 4.975 4.527 0.000 0.000 0.319 81 F C 1.307 177.145 175.800 0.063 0.000 1.155 81 F CA 0.545 58.582 58.000 0.062 0.000 1.157 81 F CB 1.244 40.264 39.000 0.034 0.000 1.252 81 F HN 0.584 nan 8.300 nan 0.000 0.550 82 G N -0.381 108.597 108.800 0.298 0.000 2.680 82 G HA2 0.576 4.536 3.960 -0.000 0.000 0.290 82 G HA3 0.576 4.536 3.960 -0.000 0.000 0.290 82 G C -2.261 172.775 174.900 0.226 0.000 1.355 82 G CA -0.734 44.473 45.100 0.180 0.000 0.903 82 G HN 0.825 nan 8.290 nan 0.000 0.474 83 H N -1.101 118.006 119.070 0.063 0.000 2.679 83 H HA 0.703 5.259 4.556 -0.000 0.000 0.360 83 H C -1.201 174.134 175.328 0.013 0.000 1.105 83 H CA -1.151 54.915 56.048 0.030 0.000 1.196 83 H CB 2.130 31.895 29.762 0.006 0.000 1.636 83 H HN 0.468 nan 8.280 nan 0.000 0.531 84 I N 2.985 123.566 120.570 0.018 0.000 2.336 84 I HA 0.190 4.360 4.170 -0.000 0.000 0.292 84 I C -0.762 175.379 176.117 0.041 0.000 0.991 84 I CA -0.481 60.800 61.300 -0.032 0.000 1.227 84 I CB 1.197 39.169 38.000 -0.047 0.000 1.366 84 I HN 0.837 nan 8.210 nan 0.000 0.466 85 D N 8.628 129.047 120.400 0.032 0.000 2.365 85 D HA 0.247 4.886 4.640 -0.000 0.000 0.237 85 D C -0.044 176.277 176.300 0.035 0.000 1.190 85 D CA -0.133 53.908 54.000 0.067 0.000 0.867 85 D CB 1.238 42.083 40.800 0.074 0.000 1.050 85 D HN 0.405 nan 8.370 nan 0.000 0.491 86 L N 1.865 123.113 121.223 0.042 0.000 2.380 86 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 86 L C 1.652 178.541 176.870 0.031 0.000 1.138 86 L CA -0.341 54.519 54.840 0.033 0.000 0.832 86 L CB 1.273 43.355 42.059 0.038 0.000 1.124 86 L HN 0.387 nan 8.230 nan 0.000 0.454 87 A N 3.739 126.574 122.820 0.025 0.000 1.872 87 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 87 A C 0.868 178.461 177.584 0.015 0.000 1.187 87 A CA 1.149 53.200 52.037 0.022 0.000 0.614 87 A CB 0.021 19.029 19.000 0.014 0.000 0.826 87 A HN 0.675 nan 8.150 nan 0.000 0.442 88 K N 0.097 120.505 120.400 0.014 0.000 2.471 88 K HA 0.420 4.740 4.320 -0.000 0.000 0.252 88 K C -2.902 173.701 176.600 0.005 0.000 0.938 88 K CA -2.440 53.852 56.287 0.008 0.000 0.796 88 K CB 1.799 34.301 32.500 0.003 0.000 1.161 88 K HN -0.027 nan 8.250 nan 0.000 0.425 89 P HA -0.180 nan 4.420 nan 0.000 0.265 89 P C -0.876 176.374 177.300 -0.083 0.000 1.151 89 P CA 0.197 63.271 63.100 -0.044 0.000 0.755 89 P CB 0.223 31.884 31.700 -0.065 0.000 0.756 90 V N 0.026 119.884 119.914 -0.094 0.000 3.049 90 V HA 0.568 4.688 4.120 -0.000 0.000 0.309 90 V C -0.170 175.865 176.094 -0.097 0.000 1.148 90 V CA -1.099 61.164 62.300 -0.063 0.000 0.990 90 V CB 1.596 33.456 31.823 0.062 0.000 1.039 90 V HN 0.180 nan 8.190 nan 0.000 0.430 91 F N 0.566 120.580 119.950 0.106 0.000 2.352 91 F HA 0.605 5.132 4.527 -0.000 0.000 0.304 91 F C 0.455 176.345 175.800 0.149 0.000 1.215 91 F CA 0.103 58.180 58.000 0.129 0.000 1.121 91 F CB 0.517 39.579 39.000 0.103 0.000 1.329 91 F HN 0.806 nan 8.300 nan 0.000 0.528 92 H N -0.427 118.829 119.070 0.311 0.000 2.658 92 H HA 0.355 4.911 4.556 -0.000 0.000 0.337 92 H C 0.482 175.817 175.328 0.011 0.000 1.009 92 H CA -0.754 55.390 56.048 0.160 0.000 1.231 92 H CB 1.389 31.301 29.762 0.250 0.000 1.508 92 H HN 0.380 nan 8.280 nan 0.000 0.517 93 V N 2.168 122.015 119.914 -0.111 0.000 2.490 93 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 93 V C 2.089 178.019 176.094 -0.273 0.000 1.061 93 V CA 1.967 64.184 62.300 -0.140 0.000 1.064 93 V CB -0.882 30.846 31.823 -0.159 0.000 0.670 93 V HN 0.829 nan 8.190 nan 0.000 0.461 94 G N -1.055 107.392 108.800 -0.588 0.000 2.534 94 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 94 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 94 G C 1.214 175.598 174.900 -0.862 0.000 1.128 94 G CA 0.505 44.882 45.100 -1.206 0.000 0.784 94 G HN 0.600 nan 8.290 nan 0.000 0.542 95 F N -0.237 119.582 119.950 -0.219 0.000 2.682 95 F HA 0.349 4.876 4.527 -0.000 0.000 0.308 95 F C 2.004 177.782 175.800 -0.037 0.000 1.093 95 F CA -0.828 57.094 58.000 -0.130 0.000 1.244 95 F CB 0.501 39.430 39.000 -0.119 0.000 1.052 95 F HN -0.051 nan 8.300 nan 0.000 0.573 96 I N 0.942 121.573 120.570 0.101 0.000 2.127 96 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 96 I C 2.795 178.932 176.117 0.033 0.000 1.075 96 I CA 1.625 62.953 61.300 0.047 0.000 1.334 96 I CB -1.384 36.594 38.000 -0.037 0.000 1.040 96 I HN 0.136 nan 8.210 nan 0.000 0.405 97 A N 0.582 123.406 122.820 0.006 0.000 1.915 97 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 97 A C 2.442 180.044 177.584 0.030 0.000 1.198 97 A CA 2.221 54.259 52.037 0.000 0.000 0.647 97 A CB -0.659 18.327 19.000 -0.024 0.000 0.825 97 A HN 0.382 nan 8.150 nan 0.000 0.456 98 K N -0.979 119.462 120.400 0.070 0.000 2.007 98 K HA -0.006 4.313 4.320 -0.000 0.000 0.206 98 K C 1.961 178.642 176.600 0.135 0.000 1.047 98 K CA 1.343 57.680 56.287 0.083 0.000 0.937 98 K CB -0.354 32.178 32.500 0.053 0.000 0.718 98 K HN 0.538 nan 8.250 nan 0.000 0.438 99 I N 1.615 122.271 120.570 0.144 0.000 2.145 99 I HA -0.398 3.771 4.170 -0.000 0.000 0.244 99 I C 2.537 178.798 176.117 0.239 0.000 1.075 99 I CA 1.539 62.954 61.300 0.192 0.000 1.332 99 I CB -0.294 37.840 38.000 0.225 0.000 1.033 99 I HN 0.211 nan 8.210 nan 0.000 0.410 100 K N 1.474 121.971 120.400 0.163 0.000 2.020 100 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 100 K C 2.120 178.861 176.600 0.235 0.000 1.050 100 K CA 1.841 58.223 56.287 0.158 0.000 0.929 100 K CB -0.122 32.434 32.500 0.092 0.000 0.714 100 K HN 0.166 nan 8.250 nan 0.000 0.443 101 K N -0.014 120.517 120.400 0.217 0.000 2.147 101 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 101 K C 1.915 178.808 176.600 0.488 0.000 1.049 101 K CA 1.350 57.795 56.287 0.264 0.000 0.936 101 K CB 0.109 32.611 32.500 0.003 0.000 0.722 101 K HN 0.056 nan 8.250 nan 0.000 0.446 102 V N 0.222 120.401 119.914 0.443 0.000 2.788 102 V HA -0.188 3.932 4.120 -0.000 0.000 0.251 102 V C 2.146 178.467 176.094 0.380 0.000 1.068 102 V CA 1.029 63.613 62.300 0.473 0.000 1.090 102 V CB -0.124 31.960 31.823 0.435 0.000 0.710 102 V HN 0.397 nan 8.190 nan 0.000 0.467 103 C N 0.320 119.828 119.300 0.346 0.000 2.422 103 C HA -0.126 4.333 4.460 -0.000 0.000 0.279 103 C C 2.070 177.159 174.990 0.165 0.000 1.305 103 C CA 0.701 59.853 59.018 0.224 0.000 1.757 103 C CB -1.020 26.845 27.740 0.208 0.000 1.962 103 C HN 0.585 nan 8.230 nan 0.000 0.499 104 E N -0.947 119.387 120.200 0.224 0.000 2.321 104 E HA 0.025 4.375 4.350 -0.000 0.000 0.189 104 E C 0.904 177.588 176.600 0.140 0.000 1.125 104 E CA -0.078 56.424 56.400 0.170 0.000 1.005 104 E CB -0.067 29.760 29.700 0.211 0.000 1.140 104 E HN 0.683 nan 8.360 nan 0.000 0.457 105 C N -0.748 118.642 119.300 0.149 0.000 4.100 105 C HA 0.235 4.695 4.460 -0.000 0.000 0.393 105 C C 0.324 175.349 174.990 0.057 0.000 1.619 105 C CA -0.499 58.590 59.018 0.118 0.000 1.976 105 C CB 0.383 28.246 27.740 0.205 0.000 2.992 105 C HN 0.064 nan 8.230 nan 0.000 0.694 106 V N 0.317 120.248 119.914 0.029 0.000 2.823 106 V HA 0.440 4.559 4.120 -0.000 0.000 0.312 106 V C -0.099 175.978 176.094 -0.027 0.000 1.072 106 V CA -0.705 61.574 62.300 -0.035 0.000 0.937 106 V CB 1.556 33.299 31.823 -0.133 0.000 1.013 106 V HN 0.390 nan 8.190 nan 0.000 0.430 107 C N 4.086 123.372 119.300 -0.023 0.000 2.604 107 C HA 0.392 4.852 4.460 -0.000 0.000 0.396 107 C C 1.637 176.632 174.990 0.009 0.000 1.282 107 C CA -0.077 58.953 59.018 0.021 0.000 2.292 107 C CB 0.602 28.357 27.740 0.024 0.000 2.633 107 C HN 0.935 nan 8.230 nan 0.000 0.620 108 M N 1.895 121.547 119.600 0.085 0.000 2.357 108 M HA 0.106 4.585 4.480 -0.000 0.000 0.266 108 M C 1.862 178.108 176.300 -0.091 0.000 1.095 108 M CA 1.619 56.934 55.300 0.024 0.000 1.156 108 M CB -0.554 32.126 32.600 0.134 0.000 1.365 108 M HN 0.726 nan 8.290 nan 0.000 0.447 109 H N -1.962 117.103 119.070 -0.008 0.000 2.592 109 H HA 0.164 4.720 4.556 -0.000 0.000 0.265 109 H C 1.718 177.013 175.328 -0.054 0.000 0.955 109 H CA 1.227 57.255 56.048 -0.033 0.000 1.175 109 H CB 0.765 30.500 29.762 -0.045 0.000 1.433 109 H HN 0.537 nan 8.280 nan 0.000 0.537 110 C N -1.871 117.454 119.300 0.042 0.000 2.544 110 C HA 0.596 5.056 4.460 -0.000 0.000 0.475 110 C C 1.246 176.218 174.990 -0.031 0.000 1.360 110 C CA 0.324 59.337 59.018 -0.009 0.000 2.555 110 C CB 0.434 28.172 27.740 -0.004 0.000 3.012 110 C HN 0.499 nan 8.230 nan 0.000 0.552 111 G N 1.917 110.693 108.800 -0.039 0.000 3.313 111 G HA2 0.134 4.094 3.960 -0.000 0.000 0.563 111 G HA3 0.134 4.094 3.960 -0.000 0.000 0.563 111 G C -0.866 173.989 174.900 -0.074 0.000 1.037 111 G CA 0.400 45.455 45.100 -0.075 0.000 0.848 111 G HN 1.092 nan 8.290 nan 0.000 0.416 112 K N 1.634 121.985 120.400 -0.082 0.000 2.736 112 K HA 0.414 4.734 4.320 -0.000 0.000 0.290 112 K C 0.038 176.600 176.600 -0.063 0.000 1.033 112 K CA -1.122 55.117 56.287 -0.081 0.000 0.852 112 K CB 0.961 33.426 32.500 -0.058 0.000 1.494 112 K HN 0.482 nan 8.250 nan 0.000 0.378 113 L N 2.802 123.991 121.223 -0.058 0.000 2.461 113 L HA 0.026 4.366 4.340 -0.000 0.000 0.259 113 L C 1.575 178.433 176.870 -0.021 0.000 1.248 113 L CA 0.062 54.885 54.840 -0.029 0.000 0.823 113 L CB 0.215 42.261 42.059 -0.021 0.000 1.111 113 L HN 0.590 nan 8.230 nan 0.000 0.516 114 L N 0.363 121.579 121.223 -0.011 0.000 2.051 114 L HA -0.038 4.302 4.340 -0.000 0.000 0.202 114 L C 1.474 178.330 176.870 -0.024 0.000 1.097 114 L CA 0.543 55.373 54.840 -0.016 0.000 0.762 114 L CB -0.400 41.650 42.059 -0.014 0.000 0.913 114 L HN 0.518 nan 8.230 nan 0.000 0.447 115 L N -0.588 120.620 121.223 -0.025 0.000 2.275 115 L HA -0.134 4.206 4.340 -0.000 0.000 0.169 115 L C 0.693 177.540 176.870 -0.039 0.000 0.967 115 L CA 1.106 55.925 54.840 -0.036 0.000 2.085 115 L CB -0.176 41.865 42.059 -0.031 0.000 2.056 115 L HN 0.440 nan 8.230 nan 0.000 0.650 116 D N -3.283 117.092 120.400 -0.041 0.000 4.962 116 D HA -0.029 4.611 4.640 -0.000 0.000 0.223 116 D C 0.879 177.160 176.300 -0.032 0.000 1.868 116 D CA -0.206 53.771 54.000 -0.038 0.000 0.779 116 D CB -0.531 40.240 40.800 -0.049 0.000 2.868 116 D HN 0.267 nan 8.370 nan 0.000 0.396 117 E N 0.391 120.558 120.200 -0.056 0.000 1.905 117 E HA -0.168 4.181 4.350 -0.000 0.000 0.218 117 E C 1.691 178.305 176.600 0.023 0.000 0.928 117 E CA 2.165 58.553 56.400 -0.019 0.000 0.928 117 E CB -0.264 29.395 29.700 -0.068 0.000 0.815 117 E HN 0.559 nan 8.360 nan 0.000 0.590 118 H N -1.440 117.632 119.070 0.003 0.000 2.927 118 H HA 0.293 4.849 4.556 -0.000 0.000 0.255 118 H C 0.177 175.505 175.328 0.001 0.000 0.974 118 H CA 0.366 56.417 56.048 0.004 0.000 1.199 118 H CB -0.257 29.508 29.762 0.004 0.000 1.447 118 H HN 0.260 nan 8.280 nan 0.000 0.467 119 N N 2.425 120.898 118.700 -0.378 0.000 2.651 119 N HA -0.210 4.529 4.740 -0.000 0.000 0.249 119 N C -0.947 174.551 175.510 -0.020 0.000 1.054 119 N CA 0.978 53.914 53.050 -0.189 0.000 0.765 119 N CB -0.323 38.090 38.487 -0.124 0.000 0.988 119 N HN 0.442 nan 8.380 nan 0.000 0.543 120 E N -1.203 119.064 120.200 0.113 0.000 8.696 120 E HA -0.215 4.135 4.350 -0.000 0.000 0.467 120 E C 1.008 177.645 176.600 0.061 0.000 1.149 120 E CA 0.983 57.449 56.400 0.111 0.000 1.997 120 E CB -0.263 29.477 29.700 0.067 0.000 1.008 120 E HN 0.373 nan 8.360 nan 0.000 0.278 121 L N -1.292 119.961 121.223 0.050 0.000 4.338 121 L HA -0.317 4.023 4.340 -0.000 0.000 0.484 121 L C 0.980 177.867 176.870 0.028 0.000 1.018 121 L CA 2.734 57.593 54.840 0.031 0.000 0.972 121 L CB -2.042 40.027 42.059 0.016 0.000 1.810 121 L HN 0.757 nan 8.230 nan 0.000 1.113 122 M N 1.430 121.054 119.600 0.040 0.000 2.538 122 M HA 0.175 4.655 4.480 -0.000 0.000 0.259 122 M C 1.919 178.252 176.300 0.055 0.000 1.217 122 M CA 1.466 56.786 55.300 0.034 0.000 1.131 122 M CB -0.001 32.608 32.600 0.015 0.000 1.382 122 M HN 0.359 nan 8.290 nan 0.000 0.520 123 R N -0.163 120.387 120.500 0.083 0.000 2.316 123 R HA 0.102 4.441 4.340 -0.000 0.000 0.202 123 R C 1.461 177.796 176.300 0.058 0.000 1.029 123 R CA 1.192 57.344 56.100 0.087 0.000 1.018 123 R CB -1.054 29.320 30.300 0.123 0.000 0.888 123 R HN 0.545 nan 8.270 nan 0.000 0.471 124 Q N -0.034 119.795 119.800 0.049 0.000 2.402 124 Q HA 0.250 4.590 4.340 -0.000 0.000 0.206 124 Q C 1.659 177.685 176.000 0.042 0.000 0.919 124 Q CA 0.744 56.570 55.803 0.039 0.000 0.923 124 Q CB 0.426 29.183 28.738 0.032 0.000 1.048 124 Q HN 0.503 nan 8.270 nan 0.000 0.515 125 A N 0.784 123.632 122.820 0.046 0.000 1.864 125 A HA -0.007 4.313 4.320 -0.000 0.000 0.213 125 A C 1.904 179.526 177.584 0.063 0.000 1.266 125 A CA 0.265 52.334 52.037 0.054 0.000 0.612 125 A CB -0.779 18.251 19.000 0.050 0.000 0.940 125 A HN 0.234 nan 8.150 nan 0.000 0.463 126 L N -0.362 120.898 121.223 0.062 0.000 2.123 126 L HA -0.334 4.006 4.340 -0.000 0.000 0.217 126 L C 2.757 179.665 176.870 0.064 0.000 1.081 126 L CA 1.524 56.403 54.840 0.066 0.000 0.772 126 L CB -0.248 41.846 42.059 0.058 0.000 0.890 126 L HN 0.508 nan 8.230 nan 0.000 0.437 127 A N -1.218 121.636 122.820 0.057 0.000 2.147 127 A HA 0.130 4.450 4.320 -0.000 0.000 0.211 127 A C 1.155 178.770 177.584 0.051 0.000 1.160 127 A CA -0.270 51.797 52.037 0.051 0.000 0.781 127 A CB -0.105 18.920 19.000 0.042 0.000 0.842 127 A HN 0.260 nan 8.150 nan 0.000 0.475 128 I N 1.449 122.052 120.570 0.054 0.000 2.683 128 I HA -0.002 4.168 4.170 -0.000 0.000 0.286 128 I C 0.246 176.397 176.117 0.056 0.000 1.175 128 I CA -0.098 61.234 61.300 0.053 0.000 1.429 128 I CB 0.529 38.561 38.000 0.054 0.000 1.371 128 I HN 0.220 nan 8.210 nan 0.000 0.569 129 K N 5.425 125.854 120.400 0.048 0.000 2.286 129 K HA 0.087 4.407 4.320 -0.000 0.000 0.256 129 K C -0.736 175.895 176.600 0.051 0.000 0.999 129 K CA 0.238 56.553 56.287 0.046 0.000 0.908 129 K CB 0.130 32.652 32.500 0.037 0.000 0.981 129 K HN 0.676 nan 8.250 nan 0.000 0.500 130 D N -0.042 120.387 120.400 0.047 0.000 4.704 130 D HA -0.106 4.534 4.640 -0.000 0.000 0.225 130 D C 0.155 176.492 176.300 0.063 0.000 1.436 130 D CA 0.297 54.326 54.000 0.047 0.000 1.085 130 D CB -0.636 40.192 40.800 0.046 0.000 0.518 130 D HN 0.387 nan 8.370 nan 0.000 0.246 131 S N 1.243 116.973 115.700 0.050 0.000 2.420 131 S HA -0.247 4.223 4.470 -0.000 0.000 0.237 131 S C 1.781 176.428 174.600 0.078 0.000 1.023 131 S CA 1.308 59.543 58.200 0.058 0.000 0.991 131 S CB 0.115 63.321 63.200 0.011 0.000 0.792 131 S HN 0.454 nan 8.310 nan 0.000 0.488 132 K N 0.403 120.842 120.400 0.065 0.000 2.166 132 K HA 0.065 4.385 4.320 -0.000 0.000 0.201 132 K C 1.657 178.346 176.600 0.148 0.000 1.052 132 K CA 0.873 57.212 56.287 0.087 0.000 0.969 132 K CB 0.022 32.548 32.500 0.042 0.000 0.761 132 K HN 0.082 nan 8.250 nan 0.000 0.459 133 K N 0.295 120.765 120.400 0.116 0.000 2.314 133 K HA 0.066 4.386 4.320 -0.000 0.000 0.198 133 K C 2.013 178.691 176.600 0.129 0.000 1.045 133 K CA 0.315 56.669 56.287 0.113 0.000 0.988 133 K CB 0.132 32.679 32.500 0.078 0.000 0.783 133 K HN 0.027 nan 8.250 nan 0.000 0.484 134 R N -0.158 120.430 120.500 0.146 0.000 2.088 134 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 134 R C 1.959 178.379 176.300 0.199 0.000 1.136 134 R CA 1.943 58.135 56.100 0.154 0.000 0.926 134 R CB -0.443 29.952 30.300 0.157 0.000 0.837 134 R HN 0.203 nan 8.270 nan 0.000 0.429 135 F N 1.052 121.067 119.950 0.108 0.000 2.250 135 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 135 F C 1.904 177.798 175.800 0.157 0.000 1.077 135 F CA 1.281 59.365 58.000 0.139 0.000 1.348 135 F CB -0.238 38.840 39.000 0.129 0.000 1.040 135 F HN 0.121 nan 8.300 nan 0.000 0.509 136 A N 0.098 122.986 122.820 0.112 0.000 1.969 136 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 136 A C 2.362 179.975 177.584 0.047 0.000 1.169 136 A CA 1.603 53.668 52.037 0.047 0.000 0.635 136 A CB -1.297 17.765 19.000 0.102 0.000 0.810 136 A HN 0.489 nan 8.150 nan 0.000 0.445 137 A N -0.186 122.662 122.820 0.048 0.000 1.871 137 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 137 A C 2.028 179.620 177.584 0.013 0.000 1.207 137 A CA 0.986 53.048 52.037 0.041 0.000 0.620 137 A CB -0.570 18.456 19.000 0.043 0.000 0.860 137 A HN 0.393 nan 8.150 nan 0.000 0.450 138 I N -1.690 118.886 120.570 0.009 0.000 2.113 138 I HA -0.352 3.818 4.170 -0.000 0.000 0.242 138 I C 2.430 178.532 176.117 -0.026 0.000 1.064 138 I CA 2.190 63.494 61.300 0.007 0.000 1.320 138 I CB -0.413 37.627 38.000 0.067 0.000 1.028 138 I HN 0.747 nan 8.210 nan 0.000 0.406 139 W N 1.595 122.698 121.300 -0.329 0.000 2.318 139 W HA -0.277 4.383 4.660 0.000 0.000 0.313 139 W C 2.607 179.027 176.519 -0.165 0.000 1.221 139 W CA 2.332 59.489 57.345 -0.314 0.000 1.266 139 W CB -0.746 28.357 29.460 -0.596 0.000 1.150 139 W HN -0.047 nan 8.180 nan 0.000 0.496 140 T N 1.576 115.969 114.554 -0.268 0.000 2.737 140 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 140 T C 1.644 176.127 174.700 -0.362 0.000 1.040 140 T CA 1.976 63.799 62.100 -0.462 0.000 1.142 140 T CB -0.476 68.298 68.868 -0.157 0.000 0.861 140 T HN 0.168 nan 8.240 nan 0.000 0.456 141 L N -0.052 121.044 121.223 -0.212 0.000 2.599 141 L HA 0.129 4.469 4.340 -0.000 0.000 0.230 141 L C 1.312 178.090 176.870 -0.152 0.000 1.141 141 L CA 0.127 54.878 54.840 -0.148 0.000 0.877 141 L CB -0.052 41.961 42.059 -0.077 0.000 1.009 141 L HN 0.368 nan 8.230 nan 0.000 0.447 142 C N -1.384 117.784 119.300 -0.220 0.000 3.642 142 C HA 0.061 4.521 4.460 -0.000 0.000 0.305 142 C C 2.260 177.122 174.990 -0.213 0.000 1.492 142 C CA -0.627 58.295 59.018 -0.161 0.000 1.809 142 C CB -0.136 27.558 27.740 -0.077 0.000 2.639 142 C HN 0.496 nan 8.230 nan 0.000 0.672 143 K N 1.148 121.321 120.400 -0.378 0.000 2.186 143 K HA 0.000 4.320 4.320 -0.000 0.000 0.202 143 K C 1.379 177.855 176.600 -0.206 0.000 1.052 143 K CA 1.521 57.594 56.287 -0.356 0.000 0.965 143 K CB -0.643 31.475 32.500 -0.636 0.000 0.746 143 K HN 0.306 nan 8.250 nan 0.000 0.457 144 T N 1.423 115.863 114.554 -0.191 0.000 2.851 144 T HA -0.003 4.347 4.350 -0.000 0.000 0.262 144 T C 0.509 175.161 174.700 -0.079 0.000 1.043 144 T CA 0.634 62.662 62.100 -0.120 0.000 1.140 144 T CB -0.004 68.798 68.868 -0.110 0.000 0.872 144 T HN 0.098 nan 8.240 nan 0.000 0.446 145 K N 1.872 122.225 120.400 -0.078 0.000 2.436 145 K HA 0.185 4.505 4.320 -0.000 0.000 0.282 145 K C 0.331 176.916 176.600 -0.025 0.000 1.044 145 K CA 0.446 56.705 56.287 -0.046 0.000 1.028 145 K CB 0.472 32.945 32.500 -0.045 0.000 0.919 145 K HN 0.379 nan 8.250 nan 0.000 0.474 146 M N 1.236 120.833 119.600 -0.005 0.000 2.306 146 M HA 0.019 4.499 4.480 -0.000 0.000 0.292 146 M C 0.150 176.476 176.300 0.043 0.000 1.018 146 M CA -0.167 55.147 55.300 0.023 0.000 1.007 146 M CB 0.956 33.571 32.600 0.025 0.000 1.510 146 M HN 0.311 nan 8.290 nan 0.000 0.537 147 V N -3.297 116.629 119.914 0.021 0.000 2.769 147 V HA 0.299 4.419 4.120 -0.000 0.000 0.312 147 V C 0.838 176.939 176.094 0.012 0.000 1.058 147 V CA -1.088 61.222 62.300 0.018 0.000 0.952 147 V CB 1.591 33.414 31.823 0.000 0.000 1.019 147 V HN 0.412 nan 8.190 nan 0.000 0.445 148 C N 1.590 120.894 119.300 0.008 0.000 2.450 148 C HA 0.165 4.625 4.460 -0.000 0.000 0.279 148 C C 0.941 175.924 174.990 -0.012 0.000 1.335 148 C CA 1.080 60.100 59.018 0.003 0.000 1.749 148 C CB -1.827 25.912 27.740 -0.002 0.000 1.963 148 C HN 1.113 nan 8.230 nan 0.000 0.501 149 E N -0.469 119.720 120.200 -0.019 0.000 7.494 149 E HA -0.158 4.192 4.350 -0.000 0.000 0.356 149 E C 0.789 177.372 176.600 -0.028 0.000 0.670 149 E CA 0.423 56.808 56.400 -0.025 0.000 1.219 149 E CB -0.934 28.751 29.700 -0.026 0.000 0.933 149 E HN 0.751 nan 8.360 nan 0.000 0.264 150 T N -0.711 113.825 114.554 -0.030 0.000 2.901 150 T HA 0.020 4.370 4.350 -0.000 0.000 0.252 150 T C 0.391 175.073 174.700 -0.029 0.000 1.035 150 T CA 1.338 63.419 62.100 -0.031 0.000 1.142 150 T CB -0.007 68.842 68.868 -0.033 0.000 0.869 150 T HN 0.536 nan 8.240 nan 0.000 0.442 151 D N -0.194 120.189 120.400 -0.030 0.000 2.886 151 D HA 0.555 5.195 4.640 -0.000 0.000 0.216 151 D C -1.704 174.576 176.300 -0.032 0.000 1.256 151 D CA -0.820 53.162 54.000 -0.030 0.000 0.844 151 D CB 1.706 42.490 40.800 -0.026 0.000 1.669 151 D HN 0.192 nan 8.370 nan 0.000 0.513 152 V N 1.119 121.010 119.914 -0.038 0.000 2.581 152 V HA 0.678 4.798 4.120 -0.000 0.000 0.303 152 V C -2.343 173.728 176.094 -0.039 0.000 1.041 152 V CA -2.269 60.005 62.300 -0.044 0.000 0.907 152 V CB 2.021 33.806 31.823 -0.063 0.000 0.994 152 V HN 0.586 nan 8.190 nan 0.000 0.442 153 P HA 0.126 nan 4.420 nan 0.000 0.265 153 P C -0.320 176.967 177.300 -0.021 0.000 1.222 153 P CA 0.135 63.223 63.100 -0.021 0.000 0.767 153 P CB 0.508 32.200 31.700 -0.013 0.000 0.801 154 S N 2.420 118.113 115.700 -0.012 0.000 2.533 154 S HA 0.039 4.509 4.470 -0.000 0.000 0.282 154 S C 1.150 175.770 174.600 0.033 0.000 1.304 154 S CA -0.297 57.905 58.200 0.003 0.000 1.063 154 S CB 0.515 63.721 63.200 0.009 0.000 0.881 154 S HN 0.408 nan 8.310 nan 0.000 0.493 155 E N 1.751 121.999 120.200 0.080 0.000 3.385 155 E HA -0.298 4.052 4.350 -0.000 0.000 0.248 155 E C -0.080 176.554 176.600 0.057 0.000 1.077 155 E CA 2.547 59.009 56.400 0.103 0.000 1.827 155 E CB -1.517 28.236 29.700 0.089 0.000 1.724 155 E HN 1.046 nan 8.360 nan 0.000 0.326 156 D N 1.735 122.157 120.400 0.037 0.000 2.368 156 D HA -0.054 4.586 4.640 -0.000 0.000 0.268 156 D C 0.929 177.241 176.300 0.018 0.000 1.298 156 D CA 0.639 54.653 54.000 0.023 0.000 0.938 156 D CB 0.275 41.084 40.800 0.016 0.000 1.101 156 D HN 0.439 nan 8.370 nan 0.000 0.509 157 D N 2.343 122.754 120.400 0.018 0.000 2.263 157 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 157 D C -1.529 174.775 176.300 0.005 0.000 0.971 157 D CA 0.210 54.216 54.000 0.011 0.000 0.867 157 D CB -0.264 40.542 40.800 0.011 0.000 0.929 157 D HN 0.279 nan 8.370 nan 0.000 0.492 158 P HA 0.307 nan 4.420 nan 0.000 0.210 158 P C -0.752 176.551 177.300 0.004 0.000 1.801 158 P CA -0.211 62.891 63.100 0.003 0.000 1.276 158 P CB 1.711 33.413 31.700 0.003 0.000 1.572 159 T N -0.737 113.818 114.554 0.003 0.000 3.545 159 T HA -0.010 4.340 4.350 -0.000 0.000 0.274 159 T C -0.178 174.523 174.700 0.001 0.000 0.989 159 T CA 0.032 62.132 62.100 0.001 0.000 1.129 159 T CB -0.444 68.423 68.868 -0.002 0.000 1.165 159 T HN 0.092 nan 8.240 nan 0.000 0.436 160 Q N 2.222 122.022 119.800 0.000 0.000 2.429 160 Q HA -0.118 4.222 4.340 -0.000 0.000 0.365 160 Q C -0.503 175.496 176.000 -0.002 0.000 1.384 160 Q CA 0.165 55.968 55.803 0.000 0.000 1.089 160 Q CB -1.927 26.813 28.738 0.004 0.000 1.264 160 Q HN 0.478 nan 8.270 nan 0.000 0.342 161 L N 1.564 122.784 121.223 -0.005 0.000 2.530 161 L HA 0.228 4.568 4.340 -0.000 0.000 0.273 161 L C 0.361 177.225 176.870 -0.010 0.000 1.141 161 L CA 0.305 55.140 54.840 -0.009 0.000 0.905 161 L CB 0.188 42.241 42.059 -0.011 0.000 1.202 161 L HN 0.366 nan 8.230 nan 0.000 0.473 162 V N 2.095 122.002 119.914 -0.012 0.000 2.919 162 V HA 0.647 4.767 4.120 -0.000 0.000 0.316 162 V C 0.219 176.303 176.094 -0.017 0.000 1.077 162 V CA -0.262 62.031 62.300 -0.012 0.000 0.977 162 V CB 1.707 33.525 31.823 -0.009 0.000 1.039 162 V HN 0.776 nan 8.190 nan 0.000 0.441 163 S N 1.348 117.038 115.700 -0.016 0.000 2.998 163 S HA 0.388 4.858 4.470 -0.000 0.000 0.208 163 S C 0.988 175.576 174.600 -0.020 0.000 0.876 163 S CA 0.763 58.951 58.200 -0.019 0.000 0.836 163 S CB -0.287 62.902 63.200 -0.018 0.000 0.817 163 S HN 1.091 nan 8.310 nan 0.000 0.631 164 R N 0.342 120.832 120.500 -0.016 0.000 3.860 164 R HA -0.125 4.215 4.340 -0.000 0.000 0.460 164 R C 0.525 176.814 176.300 -0.019 0.000 0.241 164 R CA 1.409 57.499 56.100 -0.016 0.000 1.452 164 R CB -1.885 28.406 30.300 -0.016 0.000 1.021 164 R HN 0.692 nan 8.270 nan 0.000 0.555 165 G N -0.534 108.254 108.800 -0.020 0.000 2.554 165 G HA2 0.454 4.414 3.960 -0.000 0.000 0.238 165 G HA3 0.454 4.414 3.960 -0.000 0.000 0.238 165 G C 0.120 175.006 174.900 -0.024 0.000 1.259 165 G CA 0.519 45.606 45.100 -0.021 0.000 0.843 165 G HN 1.271 nan 8.290 nan 0.000 0.582 166 G N -0.722 108.064 108.800 -0.023 0.000 2.350 166 G HA2 0.419 4.379 3.960 -0.000 0.000 0.274 166 G HA3 0.419 4.379 3.960 -0.000 0.000 0.274 166 G C -0.214 174.670 174.900 -0.027 0.000 1.621 166 G CA -0.343 44.742 45.100 -0.024 0.000 0.935 166 G HN 1.271 nan 8.290 nan 0.000 0.694 167 C N 0.645 119.929 119.300 -0.026 0.000 2.464 167 C HA 0.982 5.442 4.460 -0.000 0.000 0.398 167 C C 1.659 176.619 174.990 -0.051 0.000 1.451 167 C CA 0.065 59.059 59.018 -0.040 0.000 1.986 167 C CB 1.331 29.050 27.740 -0.035 0.000 2.004 167 C HN 1.663 nan 8.230 nan 0.000 0.530 168 G N -0.201 108.551 108.800 -0.079 0.000 3.735 168 G HA2 0.210 4.170 3.960 -0.000 0.000 0.283 168 G HA3 0.210 4.170 3.960 -0.000 0.000 0.283 168 G C 0.024 174.862 174.900 -0.103 0.000 1.007 168 G CA 0.017 45.069 45.100 -0.081 0.000 0.821 168 G HN 0.682 nan 8.290 nan 0.000 0.505 169 N N 0.698 119.316 118.700 -0.138 0.000 2.332 169 N HA 0.470 5.210 4.740 -0.000 0.000 0.282 169 N C 0.624 176.089 175.510 -0.075 0.000 1.288 169 N CA 0.312 53.258 53.050 -0.172 0.000 0.949 169 N CB 0.682 38.978 38.487 -0.318 0.000 1.108 169 N HN 0.114 nan 8.380 nan 0.000 0.542 170 T N -1.924 112.593 114.554 -0.060 0.000 2.932 170 T HA 0.370 4.720 4.350 -0.000 0.000 0.289 170 T C -0.633 174.212 174.700 0.242 0.000 1.039 170 T CA -0.858 61.281 62.100 0.064 0.000 1.024 170 T CB 1.429 70.339 68.868 0.070 0.000 1.090 170 T HN 0.415 nan 8.240 nan 0.000 0.496 171 Q N 1.649 121.590 119.800 0.235 0.000 2.271 171 Q HA 0.469 4.809 4.340 -0.000 0.000 0.258 171 Q C -2.447 173.686 176.000 0.223 0.000 0.936 171 Q CA -2.352 53.604 55.803 0.254 0.000 0.909 171 Q CB 1.389 30.201 28.738 0.124 0.000 1.253 171 Q HN 0.442 nan 8.270 nan 0.000 0.440 172 P HA 0.152 nan 4.420 nan 0.000 0.279 172 P C -1.005 176.247 177.300 -0.081 0.000 1.276 172 P CA -0.420 62.594 63.100 -0.143 0.000 0.801 172 P CB 0.738 32.037 31.700 -0.669 0.000 1.127 173 T N 0.757 115.256 114.554 -0.091 0.000 3.316 173 T HA 0.379 4.729 4.350 -0.000 0.000 0.341 173 T C 0.668 175.335 174.700 -0.055 0.000 1.397 173 T CA -0.231 61.840 62.100 -0.048 0.000 1.085 173 T CB -1.104 67.747 68.868 -0.028 0.000 1.160 173 T HN 0.198 nan 8.240 nan 0.000 0.694 174 I N 2.913 123.461 120.570 -0.036 0.000 2.648 174 I HA 0.262 4.432 4.170 -0.000 0.000 0.284 174 I C 0.852 176.969 176.117 -0.000 0.000 1.153 174 I CA 0.231 61.515 61.300 -0.027 0.000 1.426 174 I CB 0.484 38.489 38.000 0.008 0.000 1.381 174 I HN 0.330 nan 8.210 nan 0.000 0.571 175 R N 4.901 125.390 120.500 -0.018 0.000 2.739 175 R HA 0.386 4.726 4.340 -0.000 0.000 0.271 175 R C -1.171 175.113 176.300 -0.026 0.000 1.010 175 R CA -1.004 55.090 56.100 -0.010 0.000 0.897 175 R CB 1.756 32.046 30.300 -0.017 0.000 1.236 175 R HN 0.465 nan 8.270 nan 0.000 0.466 176 K N 1.639 122.027 120.400 -0.020 0.000 2.227 176 K HA 0.129 4.449 4.320 -0.000 0.000 0.280 176 K C -1.374 175.202 176.600 -0.039 0.000 1.041 176 K CA -0.069 56.197 56.287 -0.036 0.000 0.905 176 K CB 0.919 33.405 32.500 -0.024 0.000 1.068 176 K HN 0.535 nan 8.250 nan 0.000 0.470 177 D N 3.480 123.847 120.400 -0.055 0.000 2.405 177 D HA 0.278 4.918 4.640 -0.000 0.000 0.264 177 D C 0.585 176.854 176.300 -0.053 0.000 1.240 177 D CA 0.550 54.523 54.000 -0.046 0.000 0.893 177 D CB 0.432 41.207 40.800 -0.041 0.000 1.198 177 D HN 0.789 nan 8.370 nan 0.000 0.514 178 G N 2.030 110.803 108.800 -0.045 0.000 4.430 178 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.332 178 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.332 178 G C 0.832 175.703 174.900 -0.048 0.000 1.338 178 G CA 0.783 45.862 45.100 -0.035 0.000 1.024 178 G HN 0.467 nan 8.290 nan 0.000 0.750 179 L N -0.025 121.167 121.223 -0.052 0.000 2.547 179 L HA 0.369 4.709 4.340 -0.000 0.000 0.218 179 L C 0.836 177.589 176.870 -0.195 0.000 1.048 179 L CA 0.238 55.037 54.840 -0.069 0.000 0.859 179 L CB 0.172 42.252 42.059 0.034 0.000 1.128 179 L HN 0.142 nan 8.230 nan 0.000 0.483 180 K N 1.234 121.553 120.400 -0.135 0.000 2.143 180 K HA 0.519 4.839 4.320 -0.000 0.000 0.272 180 K C -0.843 175.645 176.600 -0.187 0.000 1.001 180 K CA 0.025 56.214 56.287 -0.162 0.000 0.915 180 K CB 1.450 33.929 32.500 -0.036 0.000 1.047 180 K HN -0.048 nan 8.250 nan 0.000 0.458 181 L N 2.678 123.768 121.223 -0.221 0.000 2.282 181 L HA 0.429 4.769 4.340 -0.000 0.000 0.288 181 L C -0.686 176.135 176.870 -0.081 0.000 1.033 181 L CA -1.029 53.724 54.840 -0.145 0.000 0.807 181 L CB 1.427 43.395 42.059 -0.151 0.000 1.209 181 L HN 0.293 nan 8.230 nan 0.000 0.423 182 V N 2.020 121.889 119.914 -0.076 0.000 2.630 182 V HA 0.793 4.913 4.120 -0.000 0.000 0.305 182 V C 0.388 176.410 176.094 -0.120 0.000 1.046 182 V CA -0.424 61.824 62.300 -0.086 0.000 0.934 182 V CB 1.946 33.730 31.823 -0.065 0.000 1.003 182 V HN 0.861 nan 8.190 nan 0.000 0.451 183 G N 0.981 109.664 108.800 -0.195 0.000 2.563 183 G HA2 0.568 4.528 3.960 -0.000 0.000 0.302 183 G HA3 0.568 4.528 3.960 -0.000 0.000 0.302 183 G C -1.173 173.532 174.900 -0.325 0.000 1.301 183 G CA -0.478 44.450 45.100 -0.288 0.000 0.965 183 G HN 0.662 nan 8.290 nan 0.000 0.480 184 S N 0.801 116.340 115.700 -0.268 0.000 2.745 184 S HA 0.448 4.917 4.470 -0.000 0.000 0.283 184 S C -0.277 174.277 174.600 -0.078 0.000 1.170 184 S CA -0.782 57.328 58.200 -0.150 0.000 1.119 184 S CB 0.126 63.293 63.200 -0.055 0.000 1.035 184 S HN 0.468 nan 8.310 nan 0.000 0.483 185 W N 3.054 124.368 121.300 0.023 0.000 1.716 185 W HA 0.528 5.188 4.660 -0.000 0.000 0.389 185 W C 0.495 177.021 176.519 0.011 0.000 1.745 185 W CA -0.527 56.829 57.345 0.020 0.000 1.911 185 W CB 0.225 29.700 29.460 0.025 0.000 1.416 185 W HN 0.401 nan 8.180 nan 0.000 0.750 186 K N 0.718 121.298 120.400 0.300 0.000 2.479 186 K HA 0.019 4.339 4.320 -0.000 0.000 0.320 186 K C -0.654 176.000 176.600 0.090 0.000 1.255 186 K CA -0.321 56.053 56.287 0.146 0.000 1.151 186 K CB 0.903 33.466 32.500 0.105 0.000 1.421 186 K HN 0.594 nan 8.250 nan 0.000 0.448 187 K N -0.566 119.860 120.400 0.044 0.000 1.850 187 K HA 0.408 4.728 4.320 -0.000 0.000 0.251 187 K C -0.325 176.273 176.600 -0.002 0.000 0.971 187 K CA -0.952 55.339 56.287 0.006 0.000 0.853 187 K CB 0.269 32.747 32.500 -0.037 0.000 1.870 187 K HN 0.190 nan 8.250 nan 0.000 0.704 188 D N 1.074 121.463 120.400 -0.018 0.000 2.661 188 D HA -0.101 4.539 4.640 -0.000 0.000 0.244 188 D C -0.357 175.936 176.300 -0.011 0.000 1.196 188 D CA 0.774 54.763 54.000 -0.017 0.000 0.881 188 D CB 0.365 41.148 40.800 -0.027 0.000 1.141 188 D HN 0.487 nan 8.370 nan 0.000 0.530 189 R N 2.147 122.645 120.500 -0.004 0.000 2.508 189 R HA 0.219 4.558 4.340 -0.000 0.000 0.420 189 R C -0.262 176.038 176.300 0.000 0.000 0.866 189 R CA -0.555 55.545 56.100 0.000 0.000 1.103 189 R CB 0.429 30.734 30.300 0.009 0.000 1.657 189 R HN 0.253 nan 8.270 nan 0.000 0.562 190 A N 0.794 123.612 122.820 -0.003 0.000 2.354 190 A HA 0.572 4.892 4.320 -0.000 0.000 0.281 190 A C 0.367 177.949 177.584 -0.003 0.000 1.174 190 A CA 0.464 52.499 52.037 -0.003 0.000 0.828 190 A CB 0.546 19.544 19.000 -0.004 0.000 1.099 190 A HN 0.228 nan 8.150 nan 0.000 0.516 191 T N 1.695 116.248 114.554 -0.002 0.000 3.564 191 T HA 0.181 4.531 4.350 -0.000 0.000 0.141 191 T C 1.168 175.867 174.700 -0.001 0.000 0.627 191 T CA 0.368 62.467 62.100 -0.002 0.000 0.808 191 T CB -0.394 68.473 68.868 -0.003 0.000 0.815 191 T HN 1.013 nan 8.240 nan 0.000 0.254 192 G N 1.288 110.088 108.800 -0.000 0.000 3.839 192 G HA2 0.551 4.511 3.960 -0.000 0.000 0.286 192 G HA3 0.551 4.511 3.960 -0.000 0.000 0.286 192 G C -0.549 174.352 174.900 0.002 0.000 1.005 192 G CA 0.727 45.827 45.100 0.001 0.000 0.824 192 G HN 0.804 nan 8.290 nan 0.000 0.489 193 D N -2.583 117.819 120.400 0.003 0.000 7.113 193 D HA 0.195 4.835 4.640 -0.000 0.000 0.259 193 D C 1.019 177.323 176.300 0.006 0.000 1.887 193 D CA 0.379 54.381 54.000 0.004 0.000 1.977 193 D CB -0.476 40.326 40.800 0.004 0.000 3.496 193 D HN 0.440 nan 8.370 nan 0.000 0.730 194 A N 3.068 125.893 122.820 0.008 0.000 2.673 194 A HA 0.158 4.478 4.320 -0.000 0.000 0.193 194 A C 1.230 178.823 177.584 0.014 0.000 1.078 194 A CA 2.647 54.691 52.037 0.012 0.000 0.969 194 A CB -1.286 17.722 19.000 0.014 0.000 0.792 194 A HN 1.443 nan 8.150 nan 0.000 0.564 195 D N -2.597 117.813 120.400 0.016 0.000 3.455 195 D HA -0.202 4.438 4.640 -0.000 0.000 0.216 195 D C -0.096 176.219 176.300 0.024 0.000 1.510 195 D CA 1.786 55.797 54.000 0.017 0.000 1.128 195 D CB -1.405 39.403 40.800 0.013 0.000 0.680 195 D HN 0.750 nan 8.370 nan 0.000 0.828 196 E N -0.283 119.932 120.200 0.024 0.000 1.580 196 E HA -0.180 4.170 4.350 -0.000 0.000 0.174 196 E C -2.060 174.567 176.600 0.045 0.000 1.177 196 E CA 0.648 57.066 56.400 0.031 0.000 0.512 196 E CB -0.628 29.087 29.700 0.025 0.000 1.034 196 E HN 0.192 nan 8.360 nan 0.000 0.266 197 P HA 0.013 nan 4.420 nan 0.000 0.306 197 P C -0.354 177.004 177.300 0.097 0.000 1.301 197 P CA -0.003 63.136 63.100 0.065 0.000 0.744 197 P CB 0.524 32.252 31.700 0.048 0.000 1.400 198 E N -0.327 119.943 120.200 0.118 0.000 2.956 198 E HA 0.135 4.485 4.350 -0.000 0.000 0.353 198 E C -1.387 175.282 176.600 0.114 0.000 1.131 198 E CA -0.096 56.416 56.400 0.186 0.000 0.851 198 E CB -1.136 28.773 29.700 0.348 0.000 1.500 198 E HN 0.196 nan 8.360 nan 0.000 0.384 199 L N 1.644 122.900 121.223 0.055 0.000 2.536 199 L HA 0.361 4.701 4.340 -0.000 0.000 0.242 199 L C 0.917 177.774 176.870 -0.022 0.000 1.280 199 L CA -0.315 54.519 54.840 -0.010 0.000 1.221 199 L CB 0.027 42.086 42.059 -0.001 0.000 1.449 199 L HN 0.136 nan 8.230 nan 0.000 0.405 200 R N 0.807 121.265 120.500 -0.071 0.000 2.491 200 R HA 0.256 4.596 4.340 -0.000 0.000 0.283 200 R C -0.730 175.518 176.300 -0.087 0.000 1.072 200 R CA -0.281 55.786 56.100 -0.055 0.000 1.048 200 R CB 1.027 31.267 30.300 -0.099 0.000 0.983 200 R HN 0.131 nan 8.270 nan 0.000 0.450 201 V N 7.028 126.932 119.914 -0.017 0.000 2.304 201 V HA 0.167 4.286 4.120 -0.000 0.000 0.269 201 V C 0.168 176.273 176.094 0.019 0.000 1.036 201 V CA -0.605 61.690 62.300 -0.008 0.000 0.840 201 V CB 0.849 32.684 31.823 0.020 0.000 1.036 201 V HN 0.636 nan 8.190 nan 0.000 0.466 202 L N 4.208 125.435 121.223 0.005 0.000 2.462 202 L HA 0.173 4.513 4.340 -0.000 0.000 0.272 202 L C 1.008 177.964 176.870 0.144 0.000 1.166 202 L CA 1.168 56.046 54.840 0.062 0.000 0.880 202 L CB 0.898 42.990 42.059 0.054 0.000 1.142 202 L HN 0.713 nan 8.230 nan 0.000 0.473 203 S N 1.222 117.010 115.700 0.147 0.000 2.598 203 S HA 0.291 4.761 4.470 -0.000 0.000 0.267 203 S C 1.198 175.930 174.600 0.221 0.000 1.189 203 S CA 0.024 58.322 58.200 0.165 0.000 1.010 203 S CB 0.894 64.152 63.200 0.097 0.000 1.084 203 S HN 0.744 nan 8.310 nan 0.000 0.541 204 T N 0.855 115.473 114.554 0.107 0.000 3.033 204 T HA 0.089 4.439 4.350 -0.000 0.000 0.248 204 T C 1.677 176.332 174.700 -0.075 0.000 1.040 204 T CA 0.766 62.799 62.100 -0.112 0.000 1.133 204 T CB -0.439 68.254 68.868 -0.290 0.000 0.895 204 T HN 0.658 nan 8.240 nan 0.000 0.465 205 E N 2.164 122.354 120.200 -0.017 0.000 2.110 205 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 205 E C 1.574 178.196 176.600 0.035 0.000 0.988 205 E CA 1.106 57.511 56.400 0.008 0.000 0.804 205 E CB -0.085 29.623 29.700 0.013 0.000 0.745 205 E HN 0.509 nan 8.360 nan 0.000 0.458 206 E N -0.310 119.919 120.200 0.048 0.000 2.336 206 E HA 0.055 4.405 4.350 -0.000 0.000 0.214 206 E C 0.254 176.902 176.600 0.080 0.000 1.144 206 E CA -0.144 56.288 56.400 0.053 0.000 1.294 206 E CB 0.084 29.813 29.700 0.047 0.000 1.263 206 E HN 0.353 nan 8.360 nan 0.000 0.439 207 I N -0.322 120.314 120.570 0.111 0.000 4.578 207 I HA -0.104 4.066 4.170 -0.000 0.000 0.312 207 I C 1.932 178.220 176.117 0.286 0.000 1.224 207 I CA 0.145 61.561 61.300 0.195 0.000 1.318 207 I CB -0.961 37.228 38.000 0.315 0.000 1.388 207 I HN 0.210 nan 8.210 nan 0.000 0.461 208 L N 2.283 123.625 121.223 0.198 0.000 2.072 208 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 208 L C 1.942 178.923 176.870 0.186 0.000 1.079 208 L CA 2.535 57.500 54.840 0.209 0.000 0.752 208 L CB -1.898 40.215 42.059 0.091 0.000 0.906 208 L HN 0.311 nan 8.230 nan 0.000 0.436 209 N N 0.538 119.314 118.700 0.128 0.000 2.272 209 N HA -0.207 4.533 4.740 -0.000 0.000 0.185 209 N C 1.789 177.374 175.510 0.126 0.000 1.014 209 N CA 1.742 54.869 53.050 0.128 0.000 0.870 209 N CB -0.454 38.087 38.487 0.090 0.000 0.975 209 N HN 0.524 nan 8.380 nan 0.000 0.433 210 I N -1.100 119.509 120.570 0.065 0.000 2.617 210 I HA -0.074 4.096 4.170 -0.000 0.000 0.256 210 I C 0.880 176.915 176.117 -0.137 0.000 1.167 210 I CA 0.573 61.840 61.300 -0.054 0.000 1.469 210 I CB -0.045 37.877 38.000 -0.130 0.000 1.098 210 I HN 0.096 nan 8.210 nan 0.000 0.436 211 F N 0.351 120.322 119.950 0.035 0.000 2.569 211 F HA 0.001 4.528 4.527 -0.000 0.000 0.295 211 F C 2.312 178.115 175.800 0.005 0.000 1.115 211 F CA 0.724 58.730 58.000 0.009 0.000 1.450 211 F CB -0.197 38.796 39.000 -0.011 0.000 1.107 211 F HN -0.166 nan 8.300 nan 0.000 0.563 212 K N -0.669 119.831 120.400 0.167 0.000 2.148 212 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 212 K C 0.780 177.328 176.600 -0.088 0.000 1.050 212 K CA 1.063 57.375 56.287 0.043 0.000 0.942 212 K CB -0.061 32.465 32.500 0.044 0.000 0.724 212 K HN 0.252 nan 8.250 nan 0.000 0.446 213 H N 0.321 119.401 119.070 0.018 0.000 2.539 213 H HA 0.125 4.681 4.556 -0.000 0.000 0.293 213 H C -0.596 174.694 175.328 -0.063 0.000 1.156 213 H CA -0.302 55.736 56.048 -0.016 0.000 1.012 213 H CB 0.239 29.988 29.762 -0.022 0.000 1.600 213 H HN 0.024 nan 8.280 nan 0.000 0.538 214 I N 1.235 121.793 120.570 -0.019 0.000 2.365 214 I HA 0.016 4.186 4.170 -0.000 0.000 0.291 214 I C 1.217 177.155 176.117 -0.300 0.000 1.004 214 I CA -0.104 61.092 61.300 -0.172 0.000 1.311 214 I CB 1.389 39.258 38.000 -0.217 0.000 1.401 214 I HN 0.110 nan 8.210 nan 0.000 0.491 215 S N 3.828 119.349 115.700 -0.298 0.000 2.563 215 S HA 0.088 4.558 4.470 -0.000 0.000 0.284 215 S C 1.496 175.831 174.600 -0.441 0.000 1.331 215 S CA -0.577 57.466 58.200 -0.262 0.000 1.047 215 S CB 0.804 63.897 63.200 -0.178 0.000 0.859 215 S HN 0.369 nan 8.310 nan 0.000 0.514 216 V N 5.465 125.264 119.914 -0.191 0.000 2.427 216 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 216 V C 2.278 178.360 176.094 -0.020 0.000 1.051 216 V CA 1.607 63.891 62.300 -0.025 0.000 1.048 216 V CB -0.616 31.258 31.823 0.085 0.000 0.666 216 V HN 0.798 nan 8.190 nan 0.000 0.456 217 K N -0.132 120.227 120.400 -0.068 0.000 2.365 217 K HA -0.095 4.225 4.320 -0.000 0.000 0.199 217 K C 1.201 177.752 176.600 -0.082 0.000 1.045 217 K CA 0.874 57.145 56.287 -0.026 0.000 0.962 217 K CB -0.114 32.378 32.500 -0.014 0.000 0.759 217 K HN 0.410 nan 8.250 nan 0.000 0.469 218 D N -0.254 119.990 120.400 -0.259 0.000 2.338 218 D HA -0.024 4.616 4.640 -0.000 0.000 0.239 218 D C 0.689 176.786 176.300 -0.338 0.000 1.095 218 D CA 0.577 54.405 54.000 -0.287 0.000 0.888 218 D CB 0.009 40.604 40.800 -0.340 0.000 0.899 218 D HN 0.171 nan 8.370 nan 0.000 0.525 219 F N -0.117 119.828 119.950 -0.009 0.000 2.298 219 F HA -0.030 4.497 4.527 -0.000 0.000 0.282 219 F C 2.510 178.369 175.800 0.099 0.000 1.045 219 F CA 0.368 58.366 58.000 -0.004 0.000 1.280 219 F CB -0.605 38.383 39.000 -0.020 0.000 1.114 219 F HN -0.163 nan 8.300 nan 0.000 0.546 220 T N 0.300 115.026 114.554 0.287 0.000 2.721 220 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 220 T C 2.082 176.887 174.700 0.174 0.000 1.038 220 T CA 1.840 64.060 62.100 0.200 0.000 1.145 220 T CB -0.756 68.195 68.868 0.140 0.000 0.858 220 T HN 0.337 nan 8.240 nan 0.000 0.459 221 S N 2.876 118.668 115.700 0.153 0.000 2.353 221 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 221 S C 1.531 176.261 174.600 0.216 0.000 1.035 221 S CA 1.185 59.474 58.200 0.148 0.000 1.025 221 S CB -0.786 62.479 63.200 0.107 0.000 0.902 221 S HN 0.580 nan 8.310 nan 0.000 0.440 222 L N -0.301 121.086 121.223 0.273 0.000 2.928 222 L HA 0.754 5.094 4.340 -0.000 0.000 0.236 222 L C 0.968 178.053 176.870 0.358 0.000 1.290 222 L CA -0.009 55.068 54.840 0.395 0.000 1.099 222 L CB -0.775 41.543 42.059 0.432 0.000 1.437 222 L HN 0.343 nan 8.230 nan 0.000 0.493 223 G N -1.352 107.603 108.800 0.257 0.000 2.246 223 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.273 223 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.273 223 G C -0.069 174.829 174.900 -0.004 0.000 1.055 223 G CA 0.466 45.626 45.100 0.100 0.000 0.851 223 G HN 0.353 nan 8.290 nan 0.000 0.500 224 F N -0.670 119.279 119.950 -0.000 0.000 2.780 224 F HA 0.743 5.270 4.527 -0.000 0.000 0.394 224 F C 0.789 176.569 175.800 -0.034 0.000 1.244 224 F CA -0.684 57.289 58.000 -0.044 0.000 1.133 224 F CB 1.217 40.205 39.000 -0.021 0.000 1.528 224 F HN 0.140 nan 8.300 nan 0.000 0.496 225 N N -0.962 117.833 118.700 0.157 0.000 3.574 225 N HA 0.181 4.921 4.740 -0.000 0.000 0.340 225 N C -0.165 175.311 175.510 -0.057 0.000 1.650 225 N CA -0.206 52.883 53.050 0.064 0.000 0.762 225 N CB 1.839 40.361 38.487 0.058 0.000 2.206 225 N HN 0.579 nan 8.380 nan 0.000 0.621 226 E N -0.270 119.926 120.200 -0.007 0.000 3.100 226 E HA 0.097 4.447 4.350 -0.000 0.000 0.191 226 E C 1.413 177.972 176.600 -0.068 0.000 1.097 226 E CA 0.653 56.996 56.400 -0.094 0.000 1.339 226 E CB 0.237 29.956 29.700 0.032 0.000 1.330 226 E HN 0.371 nan 8.360 nan 0.000 0.511 227 V N -0.876 119.093 119.914 0.090 0.000 3.354 227 V HA 0.192 4.312 4.120 -0.000 0.000 0.258 227 V C 1.810 177.942 176.094 0.062 0.000 1.159 227 V CA 0.544 62.888 62.300 0.073 0.000 1.125 227 V CB -0.537 31.268 31.823 -0.029 0.000 0.774 227 V HN 0.045 nan 8.190 nan 0.000 0.464 228 F N 0.903 120.914 119.950 0.101 0.000 2.289 228 F HA 0.348 4.874 4.527 -0.000 0.000 0.280 228 F C 1.471 177.370 175.800 0.165 0.000 1.045 228 F CA 0.819 58.872 58.000 0.089 0.000 1.236 228 F CB -0.038 38.964 39.000 0.003 0.000 1.116 228 F HN -0.013 nan 8.300 nan 0.000 0.550 229 S N 0.459 116.312 115.700 0.255 0.000 2.472 229 S HA 0.656 5.126 4.470 -0.000 0.000 0.303 229 S C -0.647 173.886 174.600 -0.111 0.000 1.099 229 S CA -0.624 57.646 58.200 0.117 0.000 1.077 229 S CB 2.013 65.187 63.200 -0.044 0.000 1.031 229 S HN 0.115 nan 8.310 nan 0.000 0.487 230 R N 2.017 122.343 120.500 -0.290 0.000 2.535 230 R HA 0.294 4.633 4.340 -0.000 0.000 0.274 230 R C -2.569 173.420 176.300 -0.518 0.000 1.090 230 R CA -1.875 53.751 56.100 -0.790 0.000 0.930 230 R CB 1.766 31.107 30.300 -1.599 0.000 1.223 230 R HN 0.304 nan 8.270 nan 0.000 0.441 231 P HA -0.164 nan 4.420 nan 0.000 0.222 231 P C 0.734 177.763 177.300 -0.452 0.000 1.147 231 P CA 0.885 63.694 63.100 -0.485 0.000 0.790 231 P CB 0.276 31.504 31.700 -0.786 0.000 0.780 232 E N -1.318 118.695 120.200 -0.312 0.000 2.427 232 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 232 E C 0.718 177.371 176.600 0.089 0.000 1.028 232 E CA 0.722 57.061 56.400 -0.103 0.000 0.864 232 E CB -0.762 28.935 29.700 -0.004 0.000 0.813 232 E HN 0.315 nan 8.360 nan 0.000 0.514 233 W N 0.483 121.734 121.300 -0.081 0.000 3.290 233 W HA 0.335 4.995 4.660 -0.000 0.000 0.287 233 W C 1.802 178.288 176.519 -0.054 0.000 1.288 233 W CA -0.540 56.780 57.345 -0.042 0.000 1.725 233 W CB -0.612 28.826 29.460 -0.035 0.000 1.103 233 W HN 0.090 nan 8.180 nan 0.000 0.670 234 M N 0.770 120.390 119.600 0.034 0.000 2.394 234 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 234 M C 0.133 176.483 176.300 0.082 0.000 1.073 234 M CA 1.122 56.373 55.300 -0.082 0.000 1.111 234 M CB 0.079 32.515 32.600 -0.273 0.000 1.401 234 M HN -0.189 nan 8.290 nan 0.000 0.448 235 I N -1.122 119.493 120.570 0.075 0.000 2.493 235 I HA 0.375 4.545 4.170 -0.000 0.000 0.298 235 I C -1.047 175.139 176.117 0.116 0.000 0.998 235 I CA -0.970 60.386 61.300 0.093 0.000 1.137 235 I CB 1.049 39.002 38.000 -0.079 0.000 1.310 235 I HN -0.112 nan 8.210 nan 0.000 0.445 236 L N 5.150 126.451 121.223 0.131 0.000 2.283 236 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 236 L C 0.778 177.693 176.870 0.076 0.000 1.073 236 L CA -0.250 54.672 54.840 0.136 0.000 0.822 236 L CB 0.704 42.865 42.059 0.171 0.000 1.186 236 L HN 0.823 nan 8.230 nan 0.000 0.436 237 T N -0.013 114.585 114.554 0.074 0.000 3.009 237 T HA 0.013 4.363 4.350 -0.000 0.000 0.258 237 T C 0.513 175.244 174.700 0.051 0.000 1.063 237 T CA 0.249 62.381 62.100 0.053 0.000 1.139 237 T CB -0.012 68.890 68.868 0.057 0.000 0.890 237 T HN 0.790 nan 8.240 nan 0.000 0.471 238 C N 0.874 120.207 119.300 0.055 0.000 2.811 238 C HA 0.728 5.188 4.460 -0.000 0.000 0.352 238 C C -0.745 174.283 174.990 0.063 0.000 1.098 238 C CA -1.789 57.266 59.018 0.062 0.000 1.295 238 C CB 0.420 28.204 27.740 0.074 0.000 1.758 238 C HN 0.241 nan 8.230 nan 0.000 0.488 239 L N 4.613 125.878 121.223 0.070 0.000 2.331 239 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 239 L C -1.930 174.976 176.870 0.060 0.000 1.106 239 L CA -1.270 53.615 54.840 0.075 0.000 0.824 239 L CB 1.693 43.806 42.059 0.089 0.000 1.142 239 L HN 0.660 nan 8.230 nan 0.000 0.443 240 P HA 0.130 nan 4.420 nan 0.000 0.281 240 P C -0.870 176.546 177.300 0.194 0.000 1.252 240 P CA -0.305 62.813 63.100 0.031 0.000 0.778 240 P CB 1.154 32.673 31.700 -0.301 0.000 0.895 241 V N 5.685 125.747 119.914 0.247 0.000 2.383 241 V HA 0.262 4.382 4.120 -0.000 0.000 0.275 241 V C -1.831 174.312 176.094 0.080 0.000 1.036 241 V CA -2.222 60.161 62.300 0.138 0.000 0.889 241 V CB 0.849 32.682 31.823 0.017 0.000 0.985 241 V HN 0.525 nan 8.190 nan 0.000 0.459 242 P HA 0.281 nan 4.420 nan 0.000 0.271 242 P C -2.741 174.333 177.300 -0.376 0.000 1.216 242 P CA -1.523 61.387 63.100 -0.316 0.000 0.771 242 P CB 0.316 31.989 31.700 -0.045 0.000 0.864 243 P HA 0.178 nan 4.420 nan 0.000 0.277 243 P C -1.748 175.415 177.300 -0.227 0.000 1.240 243 P CA -1.776 61.114 63.100 -0.350 0.000 0.798 243 P CB -0.619 30.843 31.700 -0.397 0.000 0.979 244 P HA -0.231 nan 4.420 nan 0.000 0.222 244 P C -1.184 176.049 177.300 -0.112 0.000 1.147 244 P CA 2.946 65.971 63.100 -0.125 0.000 0.958 244 P CB -2.291 29.343 31.700 -0.110 0.000 0.788 245 P HA -0.123 nan 4.420 nan 0.000 0.219 245 P C 1.644 178.897 177.300 -0.077 0.000 1.144 245 P CA 1.012 64.056 63.100 -0.094 0.000 0.806 245 P CB -0.523 31.112 31.700 -0.107 0.000 0.771 246 V N -0.021 119.836 119.914 -0.094 0.000 2.307 246 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 246 V C 1.433 177.505 176.094 -0.037 0.000 1.045 246 V CA 1.838 64.101 62.300 -0.062 0.000 1.024 246 V CB -0.927 30.851 31.823 -0.075 0.000 0.651 246 V HN 0.275 nan 8.190 nan 0.000 0.449 247 R N -0.191 120.279 120.500 -0.049 0.000 2.681 247 R HA 0.417 4.757 4.340 -0.000 0.000 0.277 247 R C -3.003 173.268 176.300 -0.049 0.000 1.563 247 R CA -1.611 54.469 56.100 -0.035 0.000 1.673 247 R CB 0.002 30.286 30.300 -0.026 0.000 1.258 247 R HN 0.238 nan 8.270 nan 0.000 0.650 248 P HA -0.040 nan 4.420 nan 0.000 0.272 248 P C -0.113 177.161 177.300 -0.043 0.000 1.243 248 P CA 0.099 63.173 63.100 -0.044 0.000 0.803 248 P CB 0.779 32.460 31.700 -0.031 0.000 0.974 249 S N -0.894 114.781 115.700 -0.041 0.000 3.255 249 S HA 0.621 5.090 4.470 -0.000 0.000 0.305 249 S C -0.375 174.214 174.600 -0.018 0.000 1.067 249 S CA -0.869 57.308 58.200 -0.039 0.000 0.966 249 S CB 0.066 63.232 63.200 -0.056 0.000 1.366 249 S HN 0.338 nan 8.310 nan 0.000 0.717 250 I N 1.184 121.746 120.570 -0.013 0.000 7.505 250 I HA -0.154 4.016 4.170 -0.000 0.000 0.126 250 I C -0.109 176.027 176.117 0.032 0.000 1.838 250 I CA 0.635 61.936 61.300 0.001 0.000 2.047 250 I CB -1.446 36.547 38.000 -0.012 0.000 3.658 250 I HN 0.796 nan 8.210 nan 0.000 0.172 251 S N 6.727 122.467 115.700 0.068 0.000 2.078 251 S HA 0.662 5.132 4.470 -0.000 0.000 0.168 251 S C -0.391 174.359 174.600 0.250 0.000 1.542 251 S CA -0.426 57.842 58.200 0.113 0.000 1.223 251 S CB 0.754 64.005 63.200 0.086 0.000 1.152 251 S HN 1.620 nan 8.310 nan 0.000 0.452 252 F N 0.696 120.642 119.950 -0.005 0.000 2.157 252 F HA -0.109 4.418 4.527 -0.001 0.000 0.521 252 F C -1.513 174.284 175.800 -0.006 0.000 1.293 252 F CA -0.357 57.640 58.000 -0.004 0.000 1.669 252 F CB -1.256 37.743 39.000 -0.001 0.000 2.728 252 F HN 0.535 nan 8.300 nan 0.000 0.716 253 N N 3.430 121.723 118.700 -0.679 0.000 2.483 253 N HA 0.444 5.183 4.740 -0.000 0.000 0.285 253 N C -0.482 174.488 175.510 -0.900 0.000 1.210 253 N CA -0.650 52.045 53.050 -0.591 0.000 0.931 253 N CB 0.688 39.002 38.487 -0.289 0.000 1.220 253 N HN 0.539 nan 8.380 nan 0.000 0.542 254 E N 0.692 120.622 120.200 -0.450 0.000 2.528 254 E HA 0.038 4.388 4.350 -0.000 0.000 0.237 254 E C -0.576 175.946 176.600 -0.131 0.000 1.408 254 E CA 0.032 56.298 56.400 -0.224 0.000 1.571 254 E CB -1.411 28.209 29.700 -0.133 0.000 1.395 254 E HN 0.696 nan 8.360 nan 0.000 0.438 255 S N 0.274 115.898 115.700 -0.126 0.000 3.153 255 S HA -0.308 4.162 4.470 -0.000 0.000 0.856 255 S C 0.270 174.919 174.600 0.082 0.000 1.042 255 S CA 0.814 59.030 58.200 0.026 0.000 1.234 255 S CB -0.895 62.304 63.200 -0.001 0.000 0.879 255 S HN 0.580 nan 8.310 nan 0.000 0.260 256 Q N 0.888 120.779 119.800 0.151 0.000 2.451 256 Q HA -0.302 4.038 4.340 -0.000 0.000 0.305 256 Q C 0.670 176.755 176.000 0.142 0.000 1.345 256 Q CA 1.912 57.844 55.803 0.214 0.000 0.854 256 Q CB -1.336 27.713 28.738 0.519 0.000 1.162 256 Q HN 0.867 nan 8.270 nan 0.000 0.440 257 R N 0.931 121.476 120.500 0.076 0.000 2.208 257 R HA -0.147 4.192 4.340 -0.000 0.000 0.262 257 R C 1.297 177.610 176.300 0.022 0.000 1.166 257 R CA 1.909 58.027 56.100 0.029 0.000 0.987 257 R CB -0.591 29.709 30.300 0.000 0.000 0.887 257 R HN 1.071 nan 8.270 nan 0.000 0.459 258 G N 1.005 109.834 108.800 0.048 0.000 2.387 258 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.270 258 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.270 258 G C -0.853 174.042 174.900 -0.008 0.000 0.957 258 G CA 0.111 45.236 45.100 0.043 0.000 1.352 258 G HN 0.223 nan 8.290 nan 0.000 0.457 259 E N 0.838 121.012 120.200 -0.043 0.000 2.195 259 E HA 0.366 4.716 4.350 -0.000 0.000 0.271 259 E C -0.104 176.463 176.600 -0.054 0.000 0.923 259 E CA -0.847 55.475 56.400 -0.130 0.000 0.790 259 E CB 1.604 31.090 29.700 -0.356 0.000 1.155 259 E HN 0.429 nan 8.360 nan 0.000 0.402 260 D N 1.517 121.891 120.400 -0.044 0.000 2.414 260 D HA -0.021 4.618 4.640 -0.000 0.000 0.242 260 D C 0.958 177.299 176.300 0.068 0.000 1.129 260 D CA 0.101 54.114 54.000 0.021 0.000 0.885 260 D CB 0.743 41.547 40.800 0.006 0.000 1.198 260 D HN 0.248 nan 8.370 nan 0.000 0.437 261 D N 1.527 122.019 120.400 0.152 0.000 2.157 261 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 261 D C 2.102 178.518 176.300 0.193 0.000 1.004 261 D CA 0.894 55.037 54.000 0.239 0.000 0.854 261 D CB 0.049 40.940 40.800 0.152 0.000 0.936 261 D HN 0.413 nan 8.370 nan 0.000 0.446 262 L N 0.693 121.988 121.223 0.120 0.000 2.089 262 L HA -0.217 4.122 4.340 -0.000 0.000 0.213 262 L C 2.310 179.209 176.870 0.049 0.000 1.079 262 L CA 1.553 56.468 54.840 0.125 0.000 0.758 262 L CB -0.693 41.436 42.059 0.118 0.000 0.891 262 L HN 0.126 nan 8.230 nan 0.000 0.433 263 T N -1.057 113.478 114.554 -0.031 0.000 3.007 263 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 263 T C 1.444 176.031 174.700 -0.189 0.000 1.107 263 T CA 0.847 62.858 62.100 -0.147 0.000 1.118 263 T CB -0.227 68.504 68.868 -0.229 0.000 0.889 263 T HN 0.099 nan 8.240 nan 0.000 0.506 264 F N 1.536 121.458 119.950 -0.047 0.000 2.074 264 F HA 0.183 4.709 4.527 -0.000 0.000 0.290 264 F C 2.383 178.120 175.800 -0.104 0.000 1.118 264 F CA 0.849 58.814 58.000 -0.059 0.000 1.199 264 F CB -0.262 38.718 39.000 -0.033 0.000 1.012 264 F HN -0.072 nan 8.300 nan 0.000 0.472 265 K N 0.104 120.566 120.400 0.104 0.000 2.280 265 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 265 K C 1.987 178.471 176.600 -0.193 0.000 1.047 265 K CA 0.516 56.772 56.287 -0.052 0.000 0.942 265 K CB -0.236 32.272 32.500 0.013 0.000 0.739 265 K HN 0.184 nan 8.250 nan 0.000 0.457 266 L N 0.143 121.231 121.223 -0.225 0.000 2.079 266 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 266 L C 2.289 179.043 176.870 -0.194 0.000 1.081 266 L CA 1.728 56.393 54.840 -0.292 0.000 0.752 266 L CB -1.002 40.895 42.059 -0.268 0.000 0.896 266 L HN 0.194 nan 8.230 nan 0.000 0.433 267 A N -1.330 121.408 122.820 -0.136 0.000 2.030 267 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 267 A C 1.944 179.456 177.584 -0.121 0.000 1.164 267 A CA 0.711 52.689 52.037 -0.098 0.000 0.697 267 A CB -0.169 18.799 19.000 -0.054 0.000 0.827 267 A HN 0.282 nan 8.150 nan 0.000 0.457 268 D N 0.344 120.632 120.400 -0.188 0.000 2.084 268 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 268 D C 1.871 177.901 176.300 -0.450 0.000 0.985 268 D CA 1.064 54.830 54.000 -0.389 0.000 0.826 268 D CB -0.226 40.196 40.800 -0.630 0.000 0.978 268 D HN 0.451 nan 8.370 nan 0.000 0.456 269 I N 0.822 121.180 120.570 -0.354 0.000 2.091 269 I HA -0.289 3.881 4.170 -0.000 0.000 0.239 269 I C 2.637 178.695 176.117 -0.098 0.000 1.061 269 I CA 0.890 62.096 61.300 -0.156 0.000 1.317 269 I CB -0.157 37.760 38.000 -0.140 0.000 1.031 269 I HN 0.020 nan 8.210 nan 0.000 0.401 270 L N 0.412 121.566 121.223 -0.114 0.000 2.083 270 L HA -0.261 4.079 4.340 -0.000 0.000 0.209 270 L C 2.593 179.425 176.870 -0.063 0.000 1.083 270 L CA 1.524 56.315 54.840 -0.082 0.000 0.752 270 L CB -0.294 41.714 42.059 -0.085 0.000 0.899 270 L HN 0.206 nan 8.230 nan 0.000 0.433 271 K N -0.573 119.788 120.400 -0.064 0.000 2.155 271 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 271 K C 1.757 178.352 176.600 -0.007 0.000 1.052 271 K CA 1.055 57.321 56.287 -0.035 0.000 0.948 271 K CB 0.051 32.536 32.500 -0.025 0.000 0.728 271 K HN 0.363 nan 8.250 nan 0.000 0.448 272 A N 0.717 123.540 122.820 0.005 0.000 2.208 272 A HA -0.016 4.304 4.320 -0.000 0.000 0.209 272 A C 1.524 179.141 177.584 0.056 0.000 1.161 272 A CA 0.534 52.614 52.037 0.072 0.000 0.782 272 A CB -0.219 18.900 19.000 0.198 0.000 0.816 272 A HN 0.311 nan 8.150 nan 0.000 0.477 273 N N -0.253 118.459 118.700 0.019 0.000 2.325 273 N HA 0.119 4.859 4.740 -0.000 0.000 0.182 273 N C 1.173 176.679 175.510 -0.007 0.000 1.088 273 N CA 0.232 53.288 53.050 0.010 0.000 0.879 273 N CB 0.154 38.639 38.487 -0.004 0.000 0.983 273 N HN 0.484 nan 8.380 nan 0.000 0.471 274 I N 0.235 120.795 120.570 -0.017 0.000 2.876 274 I HA -0.131 4.039 4.170 -0.000 0.000 0.264 274 I C 2.387 178.503 176.117 -0.002 0.000 1.204 274 I CA 0.246 61.531 61.300 -0.025 0.000 1.485 274 I CB -0.102 37.871 38.000 -0.046 0.000 1.103 274 I HN 0.073 nan 8.210 nan 0.000 0.446 275 S N 1.536 117.243 115.700 0.012 0.000 2.374 275 S HA -0.199 4.271 4.470 -0.000 0.000 0.227 275 S C 1.877 176.485 174.600 0.013 0.000 1.037 275 S CA 1.584 59.796 58.200 0.021 0.000 1.024 275 S CB -0.169 63.054 63.200 0.039 0.000 0.861 275 S HN 0.347 nan 8.310 nan 0.000 0.456 276 L N 0.984 122.212 121.223 0.010 0.000 2.446 276 L HA 0.337 4.677 4.340 -0.000 0.000 0.219 276 L C 2.408 179.271 176.870 -0.011 0.000 1.116 276 L CA 0.935 55.773 54.840 -0.004 0.000 0.844 276 L CB -0.393 41.664 42.059 -0.003 0.000 0.970 276 L HN 0.324 nan 8.230 nan 0.000 0.457 277 E N -1.001 119.210 120.200 0.018 0.000 2.152 277 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 277 E C 1.516 178.182 176.600 0.110 0.000 0.983 277 E CA 1.503 57.949 56.400 0.077 0.000 0.818 277 E CB 0.051 29.796 29.700 0.074 0.000 0.758 277 E HN 0.403 nan 8.360 nan 0.000 0.467 278 T N 0.569 115.154 114.554 0.053 0.000 3.081 278 T HA 0.112 4.461 4.350 -0.000 0.000 0.255 278 T C 1.374 176.089 174.700 0.025 0.000 1.113 278 T CA 0.403 62.533 62.100 0.051 0.000 1.082 278 T CB 0.216 69.103 68.868 0.031 0.000 0.939 278 T HN 0.051 nan 8.240 nan 0.000 0.506 279 L N 0.301 121.520 121.223 -0.007 0.000 2.818 279 L HA 0.396 4.736 4.340 -0.000 0.000 0.243 279 L C 1.554 178.383 176.870 -0.068 0.000 1.185 279 L CA 0.303 55.129 54.840 -0.023 0.000 0.988 279 L CB 0.119 42.169 42.059 -0.016 0.000 1.292 279 L HN 0.188 nan 8.230 nan 0.000 0.519 280 E N -1.737 118.380 120.200 -0.138 0.000 2.489 280 E HA 0.073 4.423 4.350 -0.000 0.000 0.208 280 E C 1.409 177.822 176.600 -0.310 0.000 0.814 280 E CA -0.078 56.167 56.400 -0.258 0.000 1.348 280 E CB 0.570 30.041 29.700 -0.383 0.000 1.334 280 E HN 0.425 nan 8.360 nan 0.000 0.672 281 H N 0.003 119.073 119.070 -0.000 0.000 2.476 281 H HA 0.212 4.768 4.556 -0.000 0.000 0.292 281 H C 1.197 176.527 175.328 0.003 0.000 1.019 281 H CA 0.655 56.704 56.048 0.001 0.000 1.330 281 H CB 0.449 30.210 29.762 -0.002 0.000 1.451 281 H HN 0.035 nan 8.280 nan 0.000 0.535 282 N N 0.782 119.548 118.700 0.110 0.000 2.433 282 N HA 0.031 4.771 4.740 -0.000 0.000 0.213 282 N C 1.420 176.952 175.510 0.036 0.000 1.032 282 N CA 0.663 53.753 53.050 0.067 0.000 1.047 282 N CB -0.777 37.746 38.487 0.061 0.000 1.293 282 N HN 0.155 nan 8.380 nan 0.000 0.524 283 G N -0.952 107.863 108.800 0.025 0.000 2.572 283 G HA2 0.486 4.446 3.960 -0.000 0.000 0.261 283 G HA3 0.486 4.446 3.960 -0.000 0.000 0.261 283 G C -0.456 174.448 174.900 0.008 0.000 1.197 283 G CA 0.154 45.265 45.100 0.018 0.000 0.870 283 G HN 0.439 nan 8.290 nan 0.000 0.548 284 A N 1.145 123.974 122.820 0.015 0.000 2.843 284 A HA 0.551 4.870 4.320 -0.000 0.000 0.248 284 A C -1.621 175.981 177.584 0.030 0.000 0.904 284 A CA -0.585 51.459 52.037 0.011 0.000 1.091 284 A CB -0.080 18.927 19.000 0.012 0.000 1.208 284 A HN 0.552 nan 8.150 nan 0.000 0.476 285 P HA 0.214 nan 4.420 nan 0.000 0.288 285 P C 0.948 178.310 177.300 0.103 0.000 1.291 285 P CA -0.305 62.843 63.100 0.080 0.000 0.766 285 P CB 0.594 32.340 31.700 0.076 0.000 1.242 286 H N -0.818 118.300 119.070 0.079 0.000 2.297 286 H HA 0.004 4.559 4.556 -0.000 0.000 0.317 286 H C -0.102 175.278 175.328 0.087 0.000 1.062 286 H CA 0.771 56.886 56.048 0.112 0.000 1.431 286 H CB -0.124 29.733 29.762 0.157 0.000 1.452 286 H HN 0.350 nan 8.280 nan 0.000 0.565 287 H N -0.627 118.558 119.070 0.191 0.000 2.939 287 H HA -0.105 4.450 4.556 -0.000 0.000 0.313 287 H C -0.646 174.753 175.328 0.117 0.000 0.949 287 H CA 0.560 56.724 56.048 0.192 0.000 1.000 287 H CB -1.336 28.553 29.762 0.212 0.000 1.600 287 H HN 0.500 nan 8.280 nan 0.000 0.344 288 A N 4.069 126.959 122.820 0.117 0.000 2.511 288 A HA 0.505 4.825 4.320 -0.000 0.000 0.340 288 A C 0.922 178.485 177.584 -0.036 0.000 1.396 288 A CA -0.482 51.560 52.037 0.008 0.000 0.887 288 A CB 0.279 19.296 19.000 0.028 0.000 1.145 288 A HN 0.576 nan 8.150 nan 0.000 0.497 289 I N 0.092 120.611 120.570 -0.085 0.000 4.033 289 I HA 0.040 4.210 4.170 -0.000 0.000 0.296 289 I C 1.630 177.688 176.117 -0.098 0.000 1.210 289 I CA 0.313 61.569 61.300 -0.074 0.000 1.341 289 I CB 0.328 38.289 38.000 -0.066 0.000 1.369 289 I HN 0.627 nan 8.210 nan 0.000 0.453 290 E N 1.277 121.381 120.200 -0.160 0.000 2.510 290 E HA -0.192 4.158 4.350 -0.000 0.000 0.202 290 E C 1.135 177.652 176.600 -0.138 0.000 1.072 290 E CA 0.818 57.133 56.400 -0.141 0.000 0.883 290 E CB 0.089 29.698 29.700 -0.151 0.000 0.818 290 E HN 0.519 nan 8.360 nan 0.000 0.548 291 E N -0.541 119.570 120.200 -0.150 0.000 2.372 291 E HA 0.132 4.482 4.350 -0.000 0.000 0.201 291 E C 1.822 178.398 176.600 -0.041 0.000 0.938 291 E CA 0.432 56.775 56.400 -0.094 0.000 0.944 291 E CB 0.330 29.969 29.700 -0.101 0.000 0.937 291 E HN 0.189 nan 8.360 nan 0.000 0.495 292 A N 1.558 124.361 122.820 -0.029 0.000 1.968 292 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 292 A C 1.792 179.393 177.584 0.028 0.000 1.169 292 A CA 0.926 52.968 52.037 0.008 0.000 0.638 292 A CB -0.245 18.759 19.000 0.008 0.000 0.812 292 A HN 0.077 nan 8.150 nan 0.000 0.446 293 E N 0.443 120.653 120.200 0.016 0.000 2.472 293 E HA -0.110 4.239 4.350 -0.000 0.000 0.200 293 E C 2.016 178.655 176.600 0.065 0.000 1.046 293 E CA 0.962 57.387 56.400 0.041 0.000 0.871 293 E CB -0.057 29.662 29.700 0.032 0.000 0.806 293 E HN 0.828 nan 8.360 nan 0.000 0.533 294 S N 0.177 115.903 115.700 0.043 0.000 2.398 294 S HA -0.038 4.432 4.470 -0.000 0.000 0.220 294 S C 1.939 176.583 174.600 0.073 0.000 1.046 294 S CA -0.126 58.102 58.200 0.047 0.000 0.953 294 S CB -0.298 62.899 63.200 -0.005 0.000 0.856 294 S HN 0.098 nan 8.310 nan 0.000 0.506 295 L N 0.980 122.230 121.223 0.045 0.000 2.042 295 L HA 0.014 4.354 4.340 -0.000 0.000 0.210 295 L C 2.352 179.299 176.870 0.128 0.000 1.076 295 L CA 1.239 56.121 54.840 0.070 0.000 0.749 295 L CB -0.731 41.362 42.059 0.057 0.000 0.893 295 L HN 0.275 nan 8.230 nan 0.000 0.432 296 L N -1.103 120.208 121.223 0.148 0.000 1.976 296 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 296 L C 2.607 179.573 176.870 0.160 0.000 1.071 296 L CA 1.844 56.792 54.840 0.179 0.000 0.746 296 L CB -1.247 40.888 42.059 0.126 0.000 0.890 296 L HN 0.389 nan 8.230 nan 0.000 0.432 297 Q N -1.012 118.877 119.800 0.149 0.000 2.152 297 Q HA -0.292 4.048 4.340 -0.000 0.000 0.206 297 Q C 2.185 178.280 176.000 0.159 0.000 0.985 297 Q CA 1.954 57.852 55.803 0.158 0.000 0.863 297 Q CB -0.591 28.258 28.738 0.185 0.000 0.904 297 Q HN 0.400 nan 8.270 nan 0.000 0.422 298 F N -0.073 119.867 119.950 -0.016 0.000 2.171 298 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 298 F C 1.630 177.393 175.800 -0.062 0.000 1.090 298 F CA 2.239 60.191 58.000 -0.079 0.000 1.293 298 F CB -0.471 38.423 39.000 -0.176 0.000 1.013 298 F HN 0.280 nan 8.300 nan 0.000 0.486 299 H N -1.493 117.484 119.070 -0.156 0.000 2.428 299 H HA -0.043 4.513 4.556 -0.000 0.000 0.296 299 H C 2.251 177.527 175.328 -0.087 0.000 1.062 299 H CA 1.227 57.138 56.048 -0.228 0.000 1.350 299 H CB 0.006 29.719 29.762 -0.081 0.000 1.403 299 H HN 0.181 nan 8.280 nan 0.000 0.533 300 V N 0.474 120.451 119.914 0.105 0.000 2.719 300 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 300 V C 2.401 178.528 176.094 0.056 0.000 1.065 300 V CA 1.176 63.558 62.300 0.137 0.000 1.086 300 V CB -0.525 31.367 31.823 0.114 0.000 0.700 300 V HN 0.523 nan 8.190 nan 0.000 0.467 301 A N 0.620 123.436 122.820 -0.007 0.000 1.828 301 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 301 A C 2.436 179.965 177.584 -0.091 0.000 1.203 301 A CA 2.652 54.659 52.037 -0.049 0.000 0.614 301 A CB -1.295 17.705 19.000 0.001 0.000 0.844 301 A HN 0.463 nan 8.150 nan 0.000 0.445 302 T N -0.913 113.534 114.554 -0.178 0.000 2.653 302 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 302 T C 1.822 176.497 174.700 -0.042 0.000 1.035 302 T CA 2.007 64.009 62.100 -0.163 0.000 1.154 302 T CB -0.647 68.021 68.868 -0.335 0.000 0.862 302 T HN 0.599 nan 8.240 nan 0.000 0.441 303 Y N 0.908 121.148 120.300 -0.100 0.000 2.274 303 Y HA -0.061 4.489 4.550 -0.000 0.000 0.290 303 Y C 2.268 178.149 175.900 -0.031 0.000 1.145 303 Y CA 0.993 59.064 58.100 -0.049 0.000 1.203 303 Y CB -0.389 38.050 38.460 -0.034 0.000 0.984 303 Y HN 0.083 nan 8.280 nan 0.000 0.533 304 M N 0.066 119.464 119.600 -0.337 0.000 2.134 304 M HA 0.063 4.543 4.480 -0.000 0.000 0.262 304 M C -0.373 175.823 176.300 -0.173 0.000 1.076 304 M CA 1.699 56.785 55.300 -0.357 0.000 1.143 304 M CB 0.105 32.536 32.600 -0.282 0.000 1.346 304 M HN 0.349 nan 8.290 nan 0.000 0.421 305 D N -0.935 119.399 120.400 -0.110 0.000 2.706 305 D HA 0.245 4.885 4.640 -0.000 0.000 0.225 305 D C -1.741 174.531 176.300 -0.047 0.000 1.241 305 D CA -0.584 53.382 54.000 -0.056 0.000 0.784 305 D CB 0.764 41.552 40.800 -0.021 0.000 1.521 305 D HN 0.426 nan 8.370 nan 0.000 0.461 306 N N 1.482 120.166 118.700 -0.027 0.000 2.750 306 N HA 0.415 5.155 4.740 -0.000 0.000 0.253 306 N C -1.456 174.056 175.510 0.004 0.000 1.408 306 N CA -0.706 52.338 53.050 -0.010 0.000 0.780 306 N CB 1.156 39.638 38.487 -0.008 0.000 1.191 306 N HN 0.161 nan 8.380 nan 0.000 0.511 307 D N 1.729 122.131 120.400 0.003 0.000 3.220 307 D HA 0.290 4.930 4.640 -0.000 0.000 0.309 307 D C -0.927 175.373 176.300 0.001 0.000 1.276 307 D CA -0.136 53.865 54.000 0.003 0.000 0.736 307 D CB 0.353 41.151 40.800 -0.004 0.000 1.304 307 D HN 0.461 nan 8.370 nan 0.000 0.582 308 I N -0.391 120.184 120.570 0.007 0.000 3.971 308 I HA 0.770 4.940 4.170 -0.000 0.000 0.253 308 I C 0.291 176.412 176.117 0.007 0.000 1.103 308 I CA -1.601 59.700 61.300 0.002 0.000 1.343 308 I CB 0.088 38.087 38.000 -0.002 0.000 1.364 308 I HN -0.005 nan 8.210 nan 0.000 0.444 309 A N 0.558 123.379 122.820 0.003 0.000 2.328 309 A HA 0.580 4.900 4.320 -0.000 0.000 0.284 309 A C 0.542 178.128 177.584 0.003 0.000 1.160 309 A CA 0.015 52.052 52.037 0.000 0.000 0.818 309 A CB -0.738 18.258 19.000 -0.007 0.000 1.087 309 A HN 1.626 nan 8.150 nan 0.000 0.504 310 G N 1.422 110.221 108.800 -0.001 0.000 2.392 310 G HA2 0.242 4.202 3.960 -0.000 0.000 0.256 310 G HA3 0.242 4.202 3.960 -0.000 0.000 0.256 310 G C -0.051 174.858 174.900 0.015 0.000 0.920 310 G CA 1.210 46.305 45.100 -0.008 0.000 1.316 310 G HN 2.677 nan 8.290 nan 0.000 0.416 311 Q N 0.104 119.924 119.800 0.033 0.000 2.892 311 Q HA 0.044 4.384 4.340 -0.000 0.000 0.141 311 Q C -2.749 173.254 176.000 0.004 0.000 1.497 311 Q CA 0.612 56.425 55.803 0.017 0.000 0.364 311 Q CB -1.083 27.658 28.738 0.006 0.000 0.582 311 Q HN 0.784 nan 8.270 nan 0.000 0.321 312 P HA 0.330 nan 4.420 nan 0.000 0.238 312 P C -1.219 176.104 177.300 0.039 0.000 1.758 312 P CA -0.361 62.752 63.100 0.021 0.000 1.142 312 P CB 0.855 32.562 31.700 0.011 0.000 1.722 313 Q N 1.225 121.067 119.800 0.069 0.000 2.527 313 Q HA 0.775 5.115 4.340 -0.000 0.000 0.220 313 Q C -0.719 175.332 176.000 0.085 0.000 1.014 313 Q CA -1.300 54.571 55.803 0.114 0.000 0.978 313 Q CB 0.277 29.159 28.738 0.239 0.000 1.245 313 Q HN 0.195 nan 8.270 nan 0.000 0.513 314 A N 1.077 123.948 122.820 0.084 0.000 2.978 314 A HA 0.451 4.771 4.320 -0.000 0.000 0.341 314 A C -0.769 176.859 177.584 0.074 0.000 1.105 314 A CA -0.734 51.382 52.037 0.131 0.000 0.819 314 A CB -0.081 18.982 19.000 0.104 0.000 1.080 314 A HN 0.512 nan 8.150 nan 0.000 0.476 315 L N 0.481 121.739 121.223 0.058 0.000 2.517 315 L HA -0.044 4.296 4.340 -0.000 0.000 0.294 315 L C 1.401 178.275 176.870 0.006 0.000 1.264 315 L CA 0.707 55.560 54.840 0.022 0.000 0.839 315 L CB -0.177 41.891 42.059 0.014 0.000 1.098 315 L HN 0.678 nan 8.230 nan 0.000 0.525 316 Q N 1.567 121.342 119.800 -0.042 0.000 2.178 316 Q HA 0.112 4.451 4.340 -0.000 0.000 0.197 316 Q C 1.541 177.461 176.000 -0.132 0.000 0.998 316 Q CA 1.122 56.861 55.803 -0.106 0.000 0.845 316 Q CB 0.294 28.918 28.738 -0.191 0.000 0.943 316 Q HN 0.552 nan 8.270 nan 0.000 0.514 317 K N -1.398 118.911 120.400 -0.152 0.000 2.431 317 K HA 0.221 4.541 4.320 -0.000 0.000 0.213 317 K C 1.659 178.213 176.600 -0.078 0.000 1.258 317 K CA 0.659 56.865 56.287 -0.134 0.000 0.845 317 K CB 0.459 32.846 32.500 -0.188 0.000 1.498 317 K HN 0.012 nan 8.250 nan 0.000 0.451 318 S N -0.325 115.331 115.700 -0.073 0.000 2.658 318 S HA 0.192 4.662 4.470 -0.000 0.000 0.277 318 S C 0.561 175.137 174.600 -0.040 0.000 1.078 318 S CA 0.022 58.195 58.200 -0.046 0.000 1.124 318 S CB 0.388 63.565 63.200 -0.039 0.000 1.016 318 S HN 0.339 nan 8.310 nan 0.000 0.543 319 G N 2.302 111.072 108.800 -0.050 0.000 2.664 319 G HA2 0.325 4.285 3.960 -0.000 0.000 0.242 319 G HA3 0.325 4.285 3.960 -0.000 0.000 0.242 319 G C 0.000 174.884 174.900 -0.027 0.000 1.225 319 G CA -0.372 44.707 45.100 -0.035 0.000 0.849 319 G HN 0.381 nan 8.290 nan 0.000 0.581 320 R N 0.624 121.114 120.500 -0.016 0.000 2.822 320 R HA 0.113 4.453 4.340 -0.000 0.000 0.277 320 R C -2.080 174.217 176.300 -0.005 0.000 1.102 320 R CA -1.101 54.994 56.100 -0.009 0.000 1.207 320 R CB -0.714 29.582 30.300 -0.006 0.000 1.139 320 R HN 0.298 nan 8.270 nan 0.000 0.557 321 P HA -0.140 nan 4.420 nan 0.000 0.267 321 P C 0.854 178.158 177.300 0.008 0.000 1.175 321 P CA 0.418 63.523 63.100 0.008 0.000 0.763 321 P CB 0.278 31.984 31.700 0.009 0.000 0.795 322 V N -0.936 118.986 119.914 0.013 0.000 3.141 322 V HA -0.152 3.968 4.120 -0.000 0.000 0.265 322 V C 1.678 177.788 176.094 0.027 0.000 1.126 322 V CA 1.204 63.520 62.300 0.027 0.000 1.141 322 V CB -1.373 30.476 31.823 0.044 0.000 0.743 322 V HN 0.561 nan 8.190 nan 0.000 0.492 323 K N 0.194 120.601 120.400 0.013 0.000 6.035 323 K HA -0.317 4.003 4.320 -0.000 0.000 0.451 323 K C 0.566 177.164 176.600 -0.003 0.000 0.399 323 K CA 1.870 58.160 56.287 0.004 0.000 1.899 323 K CB -1.731 30.772 32.500 0.004 0.000 0.814 323 K HN 1.534 nan 8.250 nan 0.000 0.694 324 S N -1.137 114.567 115.700 0.006 0.000 3.522 324 S HA -0.197 4.273 4.470 -0.000 0.000 0.829 324 S C 1.243 175.814 174.600 -0.050 0.000 1.219 324 S CA 0.779 58.971 58.200 -0.014 0.000 1.016 324 S CB -1.078 62.100 63.200 -0.037 0.000 0.587 324 S HN 0.427 nan 8.310 nan 0.000 0.357 325 I N 2.358 122.866 120.570 -0.103 0.000 2.141 325 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 325 I C 2.766 178.836 176.117 -0.077 0.000 1.035 325 I CA 2.362 63.598 61.300 -0.107 0.000 1.302 325 I CB -0.693 37.186 38.000 -0.202 0.000 1.006 325 I HN 0.734 nan 8.210 nan 0.000 0.413 326 R N 1.416 121.874 120.500 -0.070 0.000 2.103 326 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 326 R C 2.058 178.337 176.300 -0.035 0.000 1.142 326 R CA 2.133 58.210 56.100 -0.038 0.000 0.960 326 R CB -0.309 29.997 30.300 0.009 0.000 0.858 326 R HN 0.468 nan 8.270 nan 0.000 0.439 327 A N 0.068 122.871 122.820 -0.029 0.000 2.218 327 A HA 0.071 4.391 4.320 -0.000 0.000 0.209 327 A C 2.042 179.614 177.584 -0.021 0.000 1.168 327 A CA 0.112 52.136 52.037 -0.022 0.000 0.804 327 A CB -0.168 18.822 19.000 -0.016 0.000 0.834 327 A HN 0.262 nan 8.150 nan 0.000 0.482 328 R N -0.628 119.859 120.500 -0.022 0.000 2.148 328 R HA 0.086 4.426 4.340 -0.000 0.000 0.223 328 R C 1.239 177.527 176.300 -0.021 0.000 1.088 328 R CA 1.020 57.110 56.100 -0.016 0.000 0.985 328 R CB -0.180 30.112 30.300 -0.013 0.000 0.880 328 R HN 0.501 nan 8.270 nan 0.000 0.451 329 L N 0.061 121.265 121.223 -0.032 0.000 2.529 329 L HA 0.105 4.445 4.340 -0.000 0.000 0.223 329 L C 0.853 177.702 176.870 -0.036 0.000 1.113 329 L CA 0.077 54.895 54.840 -0.037 0.000 0.861 329 L CB 0.041 42.064 42.059 -0.060 0.000 1.012 329 L HN -0.028 nan 8.230 nan 0.000 0.461 330 K N 1.471 121.850 120.400 -0.034 0.000 2.350 330 K HA 0.220 4.540 4.320 -0.000 0.000 0.279 330 K C 0.523 177.103 176.600 -0.033 0.000 1.027 330 K CA -0.144 56.122 56.287 -0.036 0.000 0.969 330 K CB 0.893 33.373 32.500 -0.035 0.000 0.954 330 K HN 0.044 nan 8.250 nan 0.000 0.474 331 G N 2.586 111.363 108.800 -0.039 0.000 2.664 331 G HA2 0.058 4.018 3.960 -0.000 0.000 0.242 331 G HA3 0.058 4.018 3.960 -0.000 0.000 0.242 331 G C -0.621 174.258 174.900 -0.036 0.000 1.225 331 G CA -0.204 44.875 45.100 -0.035 0.000 0.849 331 G HN 0.683 nan 8.290 nan 0.000 0.581 332 K N 0.466 120.851 120.400 -0.025 0.000 6.357 332 K HA -0.175 4.145 4.320 -0.000 0.000 0.664 332 K C 0.700 177.288 176.600 -0.019 0.000 1.803 332 K CA 1.177 57.451 56.287 -0.021 0.000 1.595 332 K CB -0.925 31.555 32.500 -0.032 0.000 1.816 332 K HN 1.019 nan 8.250 nan 0.000 0.323 333 E N -2.151 118.043 120.200 -0.011 0.000 4.028 333 E HA -0.220 4.130 4.350 -0.000 0.000 0.343 333 E C 0.697 177.291 176.600 -0.009 0.000 0.700 333 E CA 1.715 58.109 56.400 -0.010 0.000 1.288 333 E CB -1.484 28.209 29.700 -0.012 0.000 1.677 333 E HN 0.753 nan 8.360 nan 0.000 0.424 334 G N 0.016 108.809 108.800 -0.012 0.000 2.471 334 G HA2 0.399 4.359 3.960 -0.000 0.000 0.332 334 G HA3 0.399 4.359 3.960 -0.000 0.000 0.332 334 G C 0.574 175.469 174.900 -0.007 0.000 1.176 334 G CA -0.063 45.030 45.100 -0.012 0.000 0.949 334 G HN -0.035 nan 8.290 nan 0.000 0.488 335 R N 0.365 120.861 120.500 -0.007 0.000 2.178 335 R HA -0.165 4.175 4.340 -0.000 0.000 0.257 335 R C 2.155 178.457 176.300 0.003 0.000 1.163 335 R CA 1.749 57.848 56.100 -0.002 0.000 0.981 335 R CB -0.492 29.807 30.300 -0.003 0.000 0.878 335 R HN 0.639 nan 8.270 nan 0.000 0.454 336 I N -1.378 119.193 120.570 0.001 0.000 2.385 336 I HA -0.075 4.095 4.170 -0.000 0.000 0.244 336 I C 2.308 178.434 176.117 0.015 0.000 1.089 336 I CA 0.558 61.864 61.300 0.010 0.000 1.410 336 I CB -0.115 37.890 38.000 0.009 0.000 1.117 336 I HN 0.070 nan 8.210 nan 0.000 0.429 337 R N 0.460 120.967 120.500 0.011 0.000 2.313 337 R HA 0.024 4.364 4.340 -0.000 0.000 0.199 337 R C 1.350 177.658 176.300 0.013 0.000 0.958 337 R CA 0.886 56.996 56.100 0.017 0.000 1.047 337 R CB 0.225 30.533 30.300 0.013 0.000 0.955 337 R HN 0.422 nan 8.270 nan 0.000 0.481 338 G N -1.445 107.360 108.800 0.008 0.000 2.989 338 G HA2 0.006 3.966 3.960 -0.000 0.000 0.221 338 G HA3 0.006 3.966 3.960 -0.000 0.000 0.221 338 G C 0.611 175.516 174.900 0.009 0.000 1.050 338 G CA -0.225 44.879 45.100 0.007 0.000 0.913 338 G HN 0.146 nan 8.290 nan 0.000 0.587 339 N N -0.205 118.501 118.700 0.010 0.000 2.160 339 N HA 0.345 5.085 4.740 -0.000 0.000 0.226 339 N C 0.786 176.304 175.510 0.014 0.000 1.256 339 N CA 0.074 53.131 53.050 0.011 0.000 0.890 339 N CB 1.501 39.992 38.487 0.008 0.000 1.116 339 N HN 0.240 nan 8.380 nan 0.000 0.517 340 L N -0.613 120.619 121.223 0.016 0.000 2.511 340 L HA 0.274 4.614 4.340 -0.000 0.000 0.173 340 L C 1.676 178.558 176.870 0.019 0.000 1.160 340 L CA 0.004 54.855 54.840 0.018 0.000 0.964 340 L CB -0.057 42.014 42.059 0.020 0.000 1.892 340 L HN -0.107 nan 8.230 nan 0.000 0.497 341 M N 0.213 119.826 119.600 0.020 0.000 2.346 341 M HA 0.031 4.511 4.480 -0.000 0.000 0.263 341 M C 0.549 176.858 176.300 0.016 0.000 1.064 341 M CA 1.176 56.488 55.300 0.020 0.000 1.083 341 M CB -0.912 31.704 32.600 0.027 0.000 1.399 341 M HN 0.336 nan 8.290 nan 0.000 0.435 342 G N 0.952 109.762 108.800 0.017 0.000 2.267 342 G HA2 0.408 4.368 3.960 -0.000 0.000 0.285 342 G HA3 0.408 4.368 3.960 -0.000 0.000 0.285 342 G C -0.936 173.976 174.900 0.021 0.000 1.323 342 G CA -0.762 44.348 45.100 0.018 0.000 1.306 342 G HN 0.133 nan 8.290 nan 0.000 0.617 343 K N 1.343 121.759 120.400 0.027 0.000 2.168 343 K HA 0.595 4.915 4.320 -0.000 0.000 0.239 343 K C 0.311 176.932 176.600 0.035 0.000 0.999 343 K CA -0.969 55.335 56.287 0.028 0.000 0.900 343 K CB 1.842 34.361 32.500 0.031 0.000 1.111 343 K HN 0.361 nan 8.250 nan 0.000 0.452 344 R N 0.719 121.235 120.500 0.026 0.000 2.582 344 R HA 0.326 4.666 4.340 -0.000 0.000 0.271 344 R C -0.134 176.185 176.300 0.032 0.000 1.078 344 R CA -0.450 55.665 56.100 0.024 0.000 1.127 344 R CB 0.498 30.801 30.300 0.006 0.000 1.038 344 R HN 0.468 nan 8.270 nan 0.000 0.500 345 V N -2.258 117.677 119.914 0.035 0.000 3.216 345 V HA 0.338 4.457 4.120 -0.000 0.000 0.302 345 V C -0.743 175.348 176.094 -0.004 0.000 1.286 345 V CA -1.337 60.990 62.300 0.045 0.000 1.048 345 V CB 2.266 34.162 31.823 0.121 0.000 1.081 345 V HN 0.597 nan 8.190 nan 0.000 0.442 346 D N 0.560 120.945 120.400 -0.024 0.000 2.433 346 D HA 0.498 5.138 4.640 -0.000 0.000 0.255 346 D C -0.020 176.229 176.300 -0.085 0.000 1.226 346 D CA -0.008 53.847 54.000 -0.240 0.000 1.015 346 D CB 0.298 40.756 40.800 -0.570 0.000 1.091 346 D HN 0.739 nan 8.370 nan 0.000 0.527 347 F N -0.467 119.478 119.950 -0.009 0.000 2.667 347 F HA -0.236 4.291 4.527 -0.001 0.000 0.250 347 F C 0.331 176.100 175.800 -0.053 0.000 1.029 347 F CA 0.020 58.020 58.000 0.000 0.000 0.944 347 F CB -2.047 36.977 39.000 0.040 0.000 0.994 347 F HN 0.231 nan 8.300 nan 0.000 0.842 348 S N -0.794 114.890 115.700 -0.027 0.000 2.596 348 S HA 1.020 5.490 4.470 -0.000 0.000 0.270 348 S C -0.528 174.036 174.600 -0.060 0.000 1.155 348 S CA -0.418 57.677 58.200 -0.174 0.000 0.827 348 S CB 2.519 65.495 63.200 -0.372 0.000 1.130 348 S HN 1.422 nan 8.310 nan 0.000 0.467 349 A N 0.677 123.484 122.820 -0.021 0.000 2.533 349 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 349 A C -0.922 176.757 177.584 0.158 0.000 1.228 349 A CA -0.952 51.158 52.037 0.122 0.000 0.689 349 A CB 1.642 20.811 19.000 0.283 0.000 1.303 349 A HN 1.258 nan 8.150 nan 0.000 0.444 350 R N -0.641 120.037 120.500 0.298 0.000 2.728 350 R HA 0.618 4.958 4.340 -0.000 0.000 0.259 350 R C -1.647 174.888 176.300 0.393 0.000 1.057 350 R CA 0.470 56.746 56.100 0.293 0.000 0.908 350 R CB 1.533 31.896 30.300 0.105 0.000 1.259 350 R HN 1.342 nan 8.270 nan 0.000 0.472 351 T N 1.005 115.818 114.554 0.431 0.000 2.669 351 T HA 0.193 4.543 4.350 -0.000 0.000 0.305 351 T C -1.245 173.630 174.700 0.292 0.000 1.838 351 T CA -0.339 61.931 62.100 0.283 0.000 0.978 351 T CB 0.979 69.934 68.868 0.146 0.000 1.851 351 T HN 0.329 nan 8.240 nan 0.000 0.503 352 V N 2.710 122.732 119.914 0.180 0.000 3.032 352 V HA 0.322 4.442 4.120 -0.000 0.000 0.307 352 V C 0.621 176.851 176.094 0.226 0.000 1.097 352 V CA 0.404 62.802 62.300 0.163 0.000 1.191 352 V CB 0.046 31.937 31.823 0.113 0.000 0.964 352 V HN 0.692 nan 8.190 nan 0.000 0.494 353 I N 0.938 121.656 120.570 0.247 0.000 2.603 353 I HA 0.866 5.036 4.170 -0.000 0.000 0.300 353 I C -0.294 175.998 176.117 0.292 0.000 1.017 353 I CA -0.320 61.169 61.300 0.314 0.000 1.098 353 I CB 2.376 40.602 38.000 0.377 0.000 1.279 353 I HN 0.528 nan 8.210 nan 0.000 0.437 354 S N 2.572 118.251 115.700 -0.035 0.000 2.547 354 S HA 0.782 5.252 4.470 -0.000 0.000 0.281 354 S C -0.231 173.838 174.600 -0.886 0.000 1.118 354 S CA -0.791 57.056 58.200 -0.588 0.000 0.947 354 S CB 1.552 64.578 63.200 -0.290 0.000 1.053 354 S HN 1.102 nan 8.310 nan 0.000 0.482 355 G N 0.583 108.396 108.800 -1.644 0.000 2.338 355 G HA2 0.504 4.464 3.960 -0.000 0.000 0.298 355 G HA3 0.504 4.464 3.960 -0.000 0.000 0.298 355 G C -1.193 173.481 174.900 -0.376 0.000 1.140 355 G CA -0.322 44.253 45.100 -0.875 0.000 0.860 355 G HN 0.663 nan 8.290 nan 0.000 0.470 356 D N 3.232 123.522 120.400 -0.183 0.000 2.461 356 D HA 0.260 4.900 4.640 -0.000 0.000 0.240 356 D C -1.398 174.870 176.300 -0.053 0.000 1.094 356 D CA -1.810 52.121 54.000 -0.115 0.000 0.868 356 D CB 2.576 43.315 40.800 -0.102 0.000 1.062 356 D HN 0.093 nan 8.370 nan 0.000 0.530 357 P HA -0.110 nan 4.420 nan 0.000 0.218 357 P C 0.372 177.655 177.300 -0.028 0.000 1.146 357 P CA 0.875 63.959 63.100 -0.027 0.000 0.813 357 P CB 0.475 32.152 31.700 -0.038 0.000 0.778 358 N N -0.733 117.959 118.700 -0.014 0.000 2.273 358 N HA 0.183 4.923 4.740 -0.000 0.000 0.231 358 N C 0.351 175.880 175.510 0.032 0.000 1.134 358 N CA -0.080 52.984 53.050 0.023 0.000 0.856 358 N CB 0.504 39.041 38.487 0.084 0.000 1.068 358 N HN 0.247 nan 8.380 nan 0.000 0.510 359 L N 0.443 121.673 121.223 0.011 0.000 2.387 359 L HA 0.290 4.630 4.340 -0.000 0.000 0.266 359 L C 0.532 177.418 176.870 0.027 0.000 1.059 359 L CA -0.610 54.238 54.840 0.013 0.000 0.801 359 L CB 1.266 43.322 42.059 -0.006 0.000 1.223 359 L HN -0.098 nan 8.230 nan 0.000 0.456 360 E N 0.772 120.990 120.200 0.029 0.000 2.283 360 E HA 0.102 4.452 4.350 -0.000 0.000 0.267 360 E C 0.509 177.121 176.600 0.021 0.000 1.045 360 E CA -0.461 55.959 56.400 0.033 0.000 0.884 360 E CB 1.671 31.392 29.700 0.036 0.000 1.106 360 E HN 0.383 nan 8.360 nan 0.000 0.408 361 L N 2.403 123.626 121.223 0.001 0.000 1.955 361 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 361 L C 1.489 178.333 176.870 -0.044 0.000 1.072 361 L CA 2.251 57.054 54.840 -0.062 0.000 0.755 361 L CB -0.453 41.517 42.059 -0.148 0.000 0.888 361 L HN 0.587 nan 8.230 nan 0.000 0.432 362 D N -1.276 119.077 120.400 -0.078 0.000 2.371 362 D HA -0.101 4.539 4.640 -0.000 0.000 0.234 362 D C 0.732 177.017 176.300 -0.025 0.000 1.049 362 D CA 0.147 54.042 54.000 -0.175 0.000 0.907 362 D CB -0.214 40.490 40.800 -0.160 0.000 0.891 362 D HN 0.552 nan 8.370 nan 0.000 0.531 363 Q N -0.468 119.381 119.800 0.082 0.000 2.177 363 Q HA 0.546 4.886 4.340 -0.000 0.000 0.183 363 Q C -0.797 175.271 176.000 0.113 0.000 1.040 363 Q CA -0.856 55.003 55.803 0.094 0.000 1.089 363 Q CB 2.000 30.761 28.738 0.038 0.000 1.130 363 Q HN -0.001 nan 8.270 nan 0.000 0.575 364 V N -0.115 119.782 119.914 -0.028 0.000 2.781 364 V HA 0.302 4.421 4.120 -0.000 0.000 0.289 364 V C -0.972 175.070 176.094 -0.087 0.000 1.275 364 V CA -0.435 61.754 62.300 -0.185 0.000 0.936 364 V CB 1.583 33.148 31.823 -0.429 0.000 1.074 364 V HN 0.824 nan 8.190 nan 0.000 0.444 365 G N 5.468 114.229 108.800 -0.064 0.000 2.327 365 G HA2 0.426 4.386 3.960 -0.000 0.000 0.278 365 G HA3 0.426 4.386 3.960 -0.000 0.000 0.278 365 G C -0.459 174.439 174.900 -0.003 0.000 1.145 365 G CA 0.109 45.190 45.100 -0.032 0.000 1.097 365 G HN 0.852 nan 8.290 nan 0.000 0.430 366 V N 6.397 126.290 119.914 -0.035 0.000 2.407 366 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 366 V C -2.027 173.985 176.094 -0.138 0.000 1.018 366 V CA -1.655 60.581 62.300 -0.106 0.000 0.842 366 V CB 2.268 34.112 31.823 0.036 0.000 0.996 366 V HN 0.537 nan 8.190 nan 0.000 0.426 367 P HA 0.256 nan 4.420 nan 0.000 0.272 367 P C 0.490 177.733 177.300 -0.094 0.000 1.223 367 P CA -0.376 62.638 63.100 -0.143 0.000 0.784 367 P CB 0.929 32.530 31.700 -0.165 0.000 0.923 368 K N 0.824 121.180 120.400 -0.073 0.000 2.015 368 K HA -0.223 4.097 4.320 -0.000 0.000 0.216 368 K C 2.164 178.770 176.600 0.010 0.000 1.052 368 K CA 2.260 58.529 56.287 -0.031 0.000 0.937 368 K CB -1.028 31.444 32.500 -0.046 0.000 0.719 368 K HN 0.390 nan 8.250 nan 0.000 0.446 369 S N 0.711 116.398 115.700 -0.022 0.000 2.399 369 S HA -0.217 4.253 4.470 -0.000 0.000 0.235 369 S C 1.815 176.400 174.600 -0.025 0.000 1.063 369 S CA 1.697 59.884 58.200 -0.023 0.000 1.070 369 S CB -0.391 62.782 63.200 -0.045 0.000 0.904 369 S HN 0.301 nan 8.310 nan 0.000 0.456 370 I N 0.829 121.373 120.570 -0.044 0.000 2.339 370 I HA 0.087 4.257 4.170 -0.000 0.000 0.245 370 I C 2.764 178.884 176.117 0.006 0.000 1.096 370 I CA 0.973 62.254 61.300 -0.031 0.000 1.408 370 I CB -0.937 37.018 38.000 -0.076 0.000 1.092 370 I HN 0.347 nan 8.210 nan 0.000 0.423 371 A N 0.705 123.543 122.820 0.031 0.000 2.216 371 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 371 A C 2.287 179.931 177.584 0.099 0.000 1.160 371 A CA 1.107 53.203 52.037 0.098 0.000 0.725 371 A CB -0.457 18.634 19.000 0.152 0.000 0.784 371 A HN 0.328 nan 8.150 nan 0.000 0.472 372 K N -1.039 119.385 120.400 0.041 0.000 2.356 372 K HA 0.009 4.329 4.320 -0.000 0.000 0.195 372 K C 1.040 177.448 176.600 -0.320 0.000 1.037 372 K CA 1.203 57.459 56.287 -0.051 0.000 1.014 372 K CB 0.208 32.771 32.500 0.106 0.000 0.815 372 K HN 0.499 nan 8.250 nan 0.000 0.507 373 T N 0.299 114.763 114.554 -0.151 0.000 3.042 373 T HA 0.199 4.549 4.350 -0.000 0.000 0.245 373 T C 0.639 175.312 174.700 -0.045 0.000 1.029 373 T CA -0.119 61.922 62.100 -0.099 0.000 1.120 373 T CB 0.339 69.185 68.868 -0.036 0.000 0.917 373 T HN -0.023 nan 8.240 nan 0.000 0.467 374 L N 2.312 123.536 121.223 0.002 0.000 2.367 374 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 374 L C 0.214 177.167 176.870 0.139 0.000 1.129 374 L CA -0.087 54.822 54.840 0.114 0.000 0.839 374 L CB 1.006 43.147 42.059 0.137 0.000 1.133 374 L HN 0.087 nan 8.230 nan 0.000 0.453 375 T N 2.528 117.236 114.554 0.256 0.000 2.921 375 T HA 0.342 4.692 4.350 -0.000 0.000 0.297 375 T C -1.381 173.425 174.700 0.176 0.000 1.013 375 T CA -0.430 61.800 62.100 0.217 0.000 0.990 375 T CB 0.720 69.715 68.868 0.211 0.000 1.023 375 T HN 0.334 nan 8.240 nan 0.000 0.447 376 Y N 6.881 127.194 120.300 0.022 0.000 2.402 376 Y HA 0.540 5.090 4.550 -0.000 0.000 0.332 376 Y C -2.650 173.234 175.900 -0.027 0.000 0.960 376 Y CA -2.946 55.123 58.100 -0.052 0.000 1.228 376 Y CB 1.227 39.677 38.460 -0.017 0.000 1.120 376 Y HN 0.473 nan 8.280 nan 0.000 0.491 377 P HA -0.120 nan 4.420 nan 0.000 0.247 377 P C -0.700 176.061 177.300 -0.897 0.000 1.141 377 P CA 0.905 63.714 63.100 -0.484 0.000 0.858 377 P CB 0.055 31.596 31.700 -0.266 0.000 0.804 378 E N 2.783 122.600 120.200 -0.639 0.000 2.191 378 E HA 0.381 4.731 4.350 -0.000 0.000 0.274 378 E C -0.636 175.870 176.600 -0.158 0.000 0.948 378 E CA -0.987 55.148 56.400 -0.443 0.000 0.802 378 E CB 1.056 30.588 29.700 -0.280 0.000 1.137 378 E HN 0.012 nan 8.360 nan 0.000 0.397 379 V N 2.670 122.546 119.914 -0.063 0.000 3.170 379 V HA 0.244 4.364 4.120 -0.000 0.000 0.309 379 V C -0.069 176.052 176.094 0.045 0.000 1.071 379 V CA -0.885 61.421 62.300 0.009 0.000 1.063 379 V CB 1.547 33.390 31.823 0.032 0.000 1.123 379 V HN 0.527 nan 8.190 nan 0.000 0.464 380 V N 1.819 121.782 119.914 0.082 0.000 2.318 380 V HA 0.426 4.546 4.120 -0.000 0.000 0.271 380 V C 0.231 176.393 176.094 0.113 0.000 1.030 380 V CA 0.186 62.541 62.300 0.092 0.000 0.844 380 V CB 1.021 32.897 31.823 0.088 0.000 1.015 380 V HN 1.047 nan 8.190 nan 0.000 0.460 381 T N 6.379 120.976 114.554 0.071 0.000 2.924 381 T HA 0.502 4.852 4.350 -0.000 0.000 0.291 381 T C -2.121 172.541 174.700 -0.063 0.000 1.045 381 T CA -2.007 60.054 62.100 -0.065 0.000 1.015 381 T CB 2.221 70.965 68.868 -0.206 0.000 1.103 381 T HN 0.369 nan 8.240 nan 0.000 0.496 382 P HA 0.029 nan 4.420 nan 0.000 0.231 382 P C 0.378 177.654 177.300 -0.040 0.000 1.158 382 P CA 0.987 64.025 63.100 -0.104 0.000 0.763 382 P CB -0.186 31.257 31.700 -0.428 0.000 0.805 383 Y N 0.764 121.084 120.300 0.033 0.000 2.153 383 Y HA -0.168 4.381 4.550 -0.000 0.000 0.289 383 Y C 2.245 178.171 175.900 0.043 0.000 1.127 383 Y CA 0.927 59.045 58.100 0.029 0.000 1.131 383 Y CB -1.055 37.416 38.460 0.018 0.000 0.995 383 Y HN 0.106 nan 8.280 nan 0.000 0.505 384 N N 0.332 119.143 118.700 0.184 0.000 2.415 384 N HA -0.071 4.669 4.740 -0.000 0.000 0.176 384 N C 1.403 176.960 175.510 0.078 0.000 1.042 384 N CA 0.600 53.723 53.050 0.122 0.000 0.902 384 N CB -0.830 37.720 38.487 0.106 0.000 0.986 384 N HN 0.337 nan 8.380 nan 0.000 0.447 385 I N 1.223 121.837 120.570 0.073 0.000 2.130 385 I HA -0.393 3.777 4.170 -0.000 0.000 0.241 385 I C 1.187 177.315 176.117 0.018 0.000 1.023 385 I CA 1.985 63.304 61.300 0.030 0.000 1.293 385 I CB -0.307 37.709 38.000 0.027 0.000 1.001 385 I HN 0.195 nan 8.210 nan 0.000 0.407 386 D N -0.456 119.964 120.400 0.034 0.000 2.219 386 D HA -0.162 4.478 4.640 -0.000 0.000 0.205 386 D C 2.196 178.504 176.300 0.014 0.000 0.970 386 D CA 0.927 54.939 54.000 0.020 0.000 0.851 386 D CB -0.251 40.567 40.800 0.030 0.000 0.943 386 D HN 0.372 nan 8.370 nan 0.000 0.488 387 R N 0.104 120.618 120.500 0.023 0.000 2.140 387 R HA 0.092 4.431 4.340 -0.000 0.000 0.213 387 R C 2.354 178.655 176.300 0.002 0.000 1.059 387 R CA 0.121 56.229 56.100 0.013 0.000 1.000 387 R CB 0.002 30.316 30.300 0.024 0.000 0.910 387 R HN 0.125 nan 8.270 nan 0.000 0.455 388 L N 0.016 121.245 121.223 0.010 0.000 2.005 388 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 388 L C 2.274 179.138 176.870 -0.010 0.000 1.072 388 L CA 1.715 56.557 54.840 0.003 0.000 0.744 388 L CB -0.553 41.515 42.059 0.015 0.000 0.895 388 L HN 0.248 nan 8.230 nan 0.000 0.433 389 T N -0.899 113.644 114.554 -0.018 0.000 2.665 389 T HA -0.343 4.007 4.350 -0.000 0.000 0.268 389 T C 1.675 176.358 174.700 -0.027 0.000 1.035 389 T CA 1.917 63.999 62.100 -0.030 0.000 1.151 389 T CB -0.339 68.501 68.868 -0.046 0.000 0.862 389 T HN 0.314 nan 8.240 nan 0.000 0.438 390 Q N 1.079 120.864 119.800 -0.025 0.000 2.045 390 Q HA -0.136 4.203 4.340 -0.000 0.000 0.206 390 Q C 2.140 178.115 176.000 -0.040 0.000 0.991 390 Q CA 1.713 57.499 55.803 -0.028 0.000 0.851 390 Q CB -0.808 27.917 28.738 -0.022 0.000 0.911 390 Q HN 0.537 nan 8.270 nan 0.000 0.418 391 L N -0.528 120.669 121.223 -0.044 0.000 1.970 391 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 391 L C 2.459 179.287 176.870 -0.070 0.000 1.071 391 L CA 1.459 56.256 54.840 -0.071 0.000 0.751 391 L CB -0.760 41.261 42.059 -0.063 0.000 0.889 391 L HN 0.184 nan 8.230 nan 0.000 0.432 392 V N -0.159 119.733 119.914 -0.038 0.000 2.220 392 V HA -0.405 3.715 4.120 -0.000 0.000 0.250 392 V C 2.596 178.670 176.094 -0.034 0.000 1.056 392 V CA 2.175 64.461 62.300 -0.024 0.000 1.016 392 V CB -0.646 31.177 31.823 0.001 0.000 0.639 392 V HN 0.428 nan 8.190 nan 0.000 0.446 393 R N -0.070 120.411 120.500 -0.031 0.000 2.200 393 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 393 R C 1.935 178.213 176.300 -0.038 0.000 1.127 393 R CA 1.109 57.191 56.100 -0.029 0.000 0.989 393 R CB -0.495 29.790 30.300 -0.025 0.000 0.869 393 R HN 0.471 nan 8.270 nan 0.000 0.459 394 N N 0.863 119.530 118.700 -0.055 0.000 2.609 394 N HA -0.056 4.684 4.740 -0.000 0.000 0.190 394 N C 0.215 175.682 175.510 -0.073 0.000 1.157 394 N CA 0.976 53.985 53.050 -0.069 0.000 0.918 394 N CB -0.089 38.337 38.487 -0.102 0.000 0.978 394 N HN 0.321 nan 8.380 nan 0.000 0.448 395 G N 0.606 109.370 108.800 -0.060 0.000 2.955 395 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.604 395 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.604 395 G C -2.474 172.391 174.900 -0.058 0.000 1.572 395 G CA -0.755 44.316 45.100 -0.048 0.000 1.016 395 G HN 0.170 nan 8.290 nan 0.000 0.569 396 P HA 0.213 nan 4.420 nan 0.000 0.220 396 P C 0.452 177.804 177.300 0.088 0.000 1.778 396 P CA 0.117 63.251 63.100 0.057 0.000 0.912 396 P CB 0.091 31.800 31.700 0.014 0.000 1.861 397 N N -0.518 118.210 118.700 0.047 0.000 3.296 397 N HA 0.012 4.752 4.740 -0.000 0.000 0.266 397 N C 0.084 175.632 175.510 0.062 0.000 0.984 397 N CA -0.054 53.035 53.050 0.065 0.000 1.228 397 N CB -0.024 38.483 38.487 0.032 0.000 1.239 397 N HN 0.109 nan 8.380 nan 0.000 1.043 398 E N 2.461 122.672 120.200 0.019 0.000 2.562 398 E HA -0.101 4.249 4.350 -0.000 0.000 0.241 398 E C 0.443 177.066 176.600 0.039 0.000 1.136 398 E CA 0.356 56.775 56.400 0.030 0.000 0.952 398 E CB -0.035 29.667 29.700 0.003 0.000 0.975 398 E HN 0.233 nan 8.360 nan 0.000 0.494 399 H N 4.648 123.720 119.070 0.003 0.000 1.453 399 H HA -0.256 4.299 4.556 -0.002 0.000 0.090 399 H C -1.824 173.459 175.328 -0.075 0.000 0.951 399 H CA 2.102 58.164 56.048 0.024 0.000 1.901 399 H CB -1.635 28.142 29.762 0.026 0.000 2.257 399 H HN 0.466 nan 8.280 nan 0.000 0.961 400 P HA 0.023 nan 4.420 nan 0.000 0.185 400 P C -0.301 176.730 177.300 -0.449 0.000 0.860 400 P CA 1.782 64.515 63.100 -0.611 0.000 1.176 400 P CB -0.643 30.839 31.700 -0.364 0.000 1.233 401 G N 1.130 109.476 108.800 -0.757 0.000 3.135 401 G HA2 0.852 4.812 3.960 -0.000 0.000 0.278 401 G HA3 0.852 4.812 3.960 -0.000 0.000 0.278 401 G C -1.688 172.814 174.900 -0.665 0.000 1.302 401 G CA -0.349 44.264 45.100 -0.811 0.000 0.880 401 G HN 0.432 nan 8.290 nan 0.000 0.574 402 A N -0.023 122.651 122.820 -0.243 0.000 2.560 402 A HA 0.612 4.932 4.320 -0.000 0.000 0.300 402 A C -0.944 176.728 177.584 0.147 0.000 1.062 402 A CA -0.700 51.437 52.037 0.167 0.000 0.767 402 A CB 1.388 20.435 19.000 0.078 0.000 1.288 402 A HN 0.872 nan 8.150 nan 0.000 0.396 403 K N 1.630 122.148 120.400 0.196 0.000 2.156 403 K HA 0.744 5.064 4.320 -0.000 0.000 0.250 403 K C -0.836 175.854 176.600 0.151 0.000 0.955 403 K CA -0.363 55.901 56.287 -0.038 0.000 0.855 403 K CB 0.801 33.135 32.500 -0.277 0.000 1.101 403 K HN 1.225 nan 8.250 nan 0.000 0.434 404 Y N -2.168 118.128 120.300 -0.006 0.000 2.516 404 Y HA -0.219 4.334 4.550 0.005 0.000 0.022 404 Y C -0.606 175.295 175.900 0.001 0.000 1.711 404 Y CA -0.458 57.635 58.100 -0.012 0.000 1.412 404 Y CB -1.112 37.340 38.460 -0.013 0.000 2.058 404 Y HN 0.372 nan 8.280 nan 0.000 0.255 405 V N 4.089 124.091 119.914 0.146 0.000 2.567 405 V HA 0.499 4.619 4.120 -0.000 0.000 0.298 405 V C -0.388 175.689 176.094 -0.028 0.000 1.047 405 V CA -0.807 61.547 62.300 0.091 0.000 0.880 405 V CB 1.643 33.546 31.823 0.132 0.000 1.009 405 V HN 0.548 nan 8.190 nan 0.000 0.429 406 I N 5.245 125.768 120.570 -0.078 0.000 2.353 406 I HA 0.543 4.713 4.170 -0.000 0.000 0.293 406 I C 0.650 176.456 176.117 -0.518 0.000 0.992 406 I CA 0.085 61.253 61.300 -0.219 0.000 1.268 406 I CB 1.055 38.975 38.000 -0.133 0.000 1.387 406 I HN 0.498 nan 8.210 nan 0.000 0.478 407 R N 3.152 123.219 120.500 -0.722 0.000 2.810 407 R HA 0.322 4.662 4.340 -0.000 0.000 0.245 407 R C 0.506 176.396 176.300 -0.684 0.000 1.168 407 R CA -0.905 54.420 56.100 -1.291 0.000 1.096 407 R CB 0.606 30.227 30.300 -1.132 0.000 1.259 407 R HN 0.529 nan 8.270 nan 0.000 0.518 408 D N 0.437 120.528 120.400 -0.514 0.000 2.116 408 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 408 D C 1.373 177.598 176.300 -0.125 0.000 0.998 408 D CA 1.903 55.818 54.000 -0.141 0.000 0.836 408 D CB 0.031 40.856 40.800 0.042 0.000 0.951 408 D HN 0.340 nan 8.370 nan 0.000 0.449 409 S N -1.139 114.478 115.700 -0.139 0.000 2.489 409 S HA 0.170 4.640 4.470 -0.000 0.000 0.228 409 S C 1.525 176.067 174.600 -0.097 0.000 0.995 409 S CA 0.785 58.929 58.200 -0.093 0.000 0.934 409 S CB 0.810 63.967 63.200 -0.073 0.000 0.771 409 S HN 0.500 nan 8.310 nan 0.000 0.522 410 G N 2.187 110.902 108.800 -0.142 0.000 2.131 410 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.201 410 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.201 410 G C -0.438 174.399 174.900 -0.105 0.000 1.000 410 G CA -0.144 44.888 45.100 -0.114 0.000 0.680 410 G HN 0.466 nan 8.290 nan 0.000 0.514 411 D N -0.505 119.813 120.400 -0.136 0.000 2.398 411 D HA 0.520 5.160 4.640 -0.000 0.000 0.264 411 D C 0.612 176.858 176.300 -0.090 0.000 1.263 411 D CA -0.198 53.743 54.000 -0.099 0.000 1.037 411 D CB 0.755 41.491 40.800 -0.106 0.000 1.101 411 D HN 0.234 nan 8.370 nan 0.000 0.551 412 R N -0.030 120.446 120.500 -0.039 0.000 2.539 412 R HA 0.250 4.590 4.340 -0.000 0.000 0.295 412 R C -1.145 175.184 176.300 0.049 0.000 1.138 412 R CA -0.681 55.429 56.100 0.017 0.000 0.936 412 R CB 0.558 30.896 30.300 0.063 0.000 1.182 412 R HN 0.183 nan 8.270 nan 0.000 0.459 413 I N 3.257 123.846 120.570 0.032 0.000 2.278 413 I HA 0.038 4.208 4.170 -0.000 0.000 0.300 413 I C 0.360 176.483 176.117 0.010 0.000 1.174 413 I CA -0.316 60.998 61.300 0.023 0.000 1.347 413 I CB 0.109 38.121 38.000 0.020 0.000 1.473 413 I HN 0.315 nan 8.210 nan 0.000 0.595 414 D N 5.317 125.704 120.400 -0.022 0.000 2.450 414 D HA 0.031 4.670 4.640 -0.000 0.000 0.247 414 D C 0.964 177.130 176.300 -0.223 0.000 1.162 414 D CA 0.347 54.232 54.000 -0.192 0.000 0.879 414 D CB 1.151 41.850 40.800 -0.169 0.000 1.163 414 D HN 0.379 nan 8.370 nan 0.000 0.472 415 L N 3.612 124.630 121.223 -0.342 0.000 2.463 415 L HA 0.093 4.433 4.340 -0.000 0.000 0.219 415 L C 2.416 179.139 176.870 -0.245 0.000 1.088 415 L CA -0.029 54.678 54.840 -0.222 0.000 0.849 415 L CB 0.021 41.981 42.059 -0.164 0.000 1.012 415 L HN 0.333 nan 8.230 nan 0.000 0.468 416 R N -0.517 119.718 120.500 -0.442 0.000 2.091 416 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 416 R C 0.516 176.683 176.300 -0.223 0.000 1.136 416 R CA 1.670 57.495 56.100 -0.458 0.000 0.959 416 R CB 0.062 29.847 30.300 -0.858 0.000 0.856 416 R HN 0.290 nan 8.270 nan 0.000 0.437 417 Y N -2.384 117.873 120.300 -0.071 0.000 3.258 417 Y HA 0.359 4.905 4.550 -0.006 0.000 0.311 417 Y C 0.353 176.230 175.900 -0.037 0.000 1.587 417 Y CA -1.418 56.656 58.100 -0.043 0.000 0.925 417 Y CB 0.448 38.887 38.460 -0.035 0.000 1.323 417 Y HN -0.123 nan 8.280 nan 0.000 0.719 418 S N -0.013 115.791 115.700 0.173 0.000 3.027 418 S HA -0.151 4.319 4.470 -0.000 0.000 0.857 418 S C 0.311 174.946 174.600 0.057 0.000 0.980 418 S CA 0.092 58.341 58.200 0.081 0.000 1.337 418 S CB -0.229 62.995 63.200 0.040 0.000 0.952 418 S HN 0.819 nan 8.310 nan 0.000 0.241 419 K N 3.642 124.068 120.400 0.043 0.000 2.217 419 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 419 K C 1.275 177.890 176.600 0.025 0.000 1.051 419 K CA 0.916 57.221 56.287 0.031 0.000 0.952 419 K CB -0.039 32.476 32.500 0.024 0.000 0.736 419 K HN 0.511 nan 8.250 nan 0.000 0.453 420 R N 0.630 121.147 120.500 0.029 0.000 2.586 420 R HA 0.241 4.581 4.340 -0.000 0.000 0.306 420 R C 0.556 176.870 176.300 0.025 0.000 1.079 420 R CA 0.069 56.185 56.100 0.027 0.000 1.083 420 R CB 0.724 31.046 30.300 0.036 0.000 1.306 420 R HN 0.247 nan 8.270 nan 0.000 0.567 421 A N 0.100 122.930 122.820 0.017 0.000 2.276 421 A HA 0.134 4.454 4.320 -0.000 0.000 0.212 421 A C 1.446 179.030 177.584 0.001 0.000 1.230 421 A CA 0.795 52.836 52.037 0.006 0.000 0.844 421 A CB 0.120 19.117 19.000 -0.004 0.000 0.860 421 A HN 0.430 nan 8.150 nan 0.000 0.486 422 G N -1.324 107.478 108.800 0.004 0.000 2.799 422 G HA2 0.152 4.112 3.960 -0.000 0.000 0.201 422 G HA3 0.152 4.112 3.960 -0.000 0.000 0.201 422 G C 0.693 175.591 174.900 -0.003 0.000 1.142 422 G CA 0.812 45.911 45.100 -0.002 0.000 0.910 422 G HN 0.453 nan 8.290 nan 0.000 0.710 423 D N 0.227 120.629 120.400 0.003 0.000 1.989 423 D HA 0.138 4.778 4.640 -0.000 0.000 0.259 423 D C 0.854 177.153 176.300 -0.002 0.000 0.992 423 D CA 0.315 54.315 54.000 0.000 0.000 0.912 423 D CB 0.215 41.020 40.800 0.007 0.000 1.083 423 D HN 0.051 nan 8.370 nan 0.000 0.441 424 I N 0.256 120.834 120.570 0.013 0.000 8.182 424 I HA -0.213 3.957 4.170 -0.000 0.000 0.126 424 I C -1.230 174.869 176.117 -0.030 0.000 1.835 424 I CA 0.001 61.316 61.300 0.024 0.000 2.072 424 I CB -0.036 37.993 38.000 0.048 0.000 3.753 424 I HN 0.322 nan 8.210 nan 0.000 0.180 425 Q N 7.771 127.528 119.800 -0.071 0.000 2.377 425 Q HA 0.399 4.739 4.340 -0.000 0.000 0.249 425 Q C -0.293 175.508 176.000 -0.331 0.000 1.005 425 Q CA -0.276 55.425 55.803 -0.172 0.000 0.912 425 Q CB 1.392 30.028 28.738 -0.171 0.000 1.223 425 Q HN 0.540 nan 8.270 nan 0.000 0.459 426 L N 4.828 125.873 121.223 -0.297 0.000 2.342 426 L HA 0.079 4.419 4.340 -0.000 0.000 0.285 426 L C 0.837 177.368 176.870 -0.565 0.000 1.095 426 L CA -0.083 54.526 54.840 -0.384 0.000 0.843 426 L CB 0.297 42.249 42.059 -0.178 0.000 1.201 426 L HN 0.509 nan 8.230 nan 0.000 0.445 427 Q N 4.133 123.396 119.800 -0.895 0.000 2.385 427 Q HA 0.280 4.620 4.340 -0.000 0.000 0.262 427 Q C -1.083 174.513 176.000 -0.673 0.000 1.050 427 Q CA -0.803 54.473 55.803 -0.878 0.000 0.903 427 Q CB 0.887 29.148 28.738 -0.795 0.000 1.325 427 Q HN 0.363 nan 8.270 nan 0.000 0.485 428 Y N -0.412 119.735 120.300 -0.255 0.000 2.544 428 Y HA 0.384 4.934 4.550 0.001 0.000 0.330 428 Y C 1.460 177.335 175.900 -0.041 0.000 1.136 428 Y CA 0.886 58.906 58.100 -0.134 0.000 1.417 428 Y CB 0.422 38.812 38.460 -0.118 0.000 1.229 428 Y HN 0.923 nan 8.280 nan 0.000 0.532 429 G N 1.045 109.970 108.800 0.207 0.000 2.143 429 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.175 429 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.175 429 G C -0.724 174.425 174.900 0.416 0.000 1.004 429 G CA -0.856 44.393 45.100 0.248 0.000 0.671 429 G HN 0.536 nan 8.290 nan 0.000 0.512 430 W N 0.183 121.486 121.300 0.005 0.000 2.703 430 W HA 0.827 5.486 4.660 -0.002 0.000 0.359 430 W C 0.410 176.919 176.519 -0.016 0.000 1.168 430 W CA -1.282 56.056 57.345 -0.010 0.000 1.177 430 W CB 1.039 30.485 29.460 -0.022 0.000 1.434 430 W HN -0.041 nan 8.180 nan 0.000 0.618 431 K N 0.650 121.158 120.400 0.180 0.000 2.371 431 K HA 0.635 4.955 4.320 -0.000 0.000 0.251 431 K C -1.565 175.082 176.600 0.077 0.000 0.934 431 K CA -0.888 55.440 56.287 0.070 0.000 0.798 431 K CB 2.582 35.076 32.500 -0.009 0.000 1.204 431 K HN 0.135 nan 8.250 nan 0.000 0.427 432 V N 2.817 122.755 119.914 0.040 0.000 2.448 432 V HA 0.173 4.293 4.120 -0.000 0.000 0.295 432 V C -0.567 175.529 176.094 0.004 0.000 1.025 432 V CA -0.699 61.629 62.300 0.047 0.000 0.859 432 V CB 1.604 33.455 31.823 0.047 0.000 0.988 432 V HN 0.719 nan 8.190 nan 0.000 0.431 433 E N 5.511 125.745 120.200 0.057 0.000 1.893 433 E HA 0.229 4.579 4.350 -0.000 0.000 0.269 433 E C 0.044 176.720 176.600 0.127 0.000 1.129 433 E CA -0.316 56.118 56.400 0.056 0.000 0.904 433 E CB 0.472 30.237 29.700 0.109 0.000 1.077 433 E HN 0.592 nan 8.360 nan 0.000 0.407 434 R N 1.748 122.298 120.500 0.083 0.000 2.580 434 R HA 0.360 4.700 4.340 -0.000 0.000 0.267 434 R C 0.229 176.691 176.300 0.271 0.000 1.125 434 R CA -0.622 55.574 56.100 0.160 0.000 1.188 434 R CB 0.636 30.986 30.300 0.083 0.000 1.155 434 R HN 0.440 nan 8.270 nan 0.000 0.586 435 H N -0.482 118.622 119.070 0.057 0.000 2.603 435 H HA 0.115 4.669 4.556 -0.002 0.000 0.370 435 H C 0.019 175.405 175.328 0.096 0.000 1.225 435 H CA -0.759 55.335 56.048 0.077 0.000 1.410 435 H CB 0.907 30.686 29.762 0.028 0.000 1.495 435 H HN 0.190 nan 8.280 nan 0.000 0.602 436 I N 1.869 122.582 120.570 0.238 0.000 2.556 436 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 436 I C 0.252 176.493 176.117 0.208 0.000 1.114 436 I CA 1.010 62.431 61.300 0.202 0.000 1.418 436 I CB 0.107 38.210 38.000 0.171 0.000 1.394 436 I HN 0.375 nan 8.210 nan 0.000 0.552 437 M N 3.809 123.508 119.600 0.165 0.000 2.662 437 M HA 0.338 4.818 4.480 -0.000 0.000 0.310 437 M C -0.592 175.792 176.300 0.141 0.000 1.204 437 M CA -0.963 54.431 55.300 0.156 0.000 0.891 437 M CB 1.507 34.157 32.600 0.084 0.000 1.732 437 M HN 0.386 nan 8.290 nan 0.000 0.467 438 D N 2.486 122.977 120.400 0.152 0.000 2.703 438 D HA -0.068 4.572 4.640 -0.000 0.000 0.225 438 D C -0.546 175.801 176.300 0.077 0.000 1.119 438 D CA 1.544 55.607 54.000 0.104 0.000 0.845 438 D CB 0.029 40.887 40.800 0.097 0.000 1.182 438 D HN 0.560 nan 8.370 nan 0.000 0.493 439 N N 1.887 120.623 118.700 0.060 0.000 2.610 439 N HA -0.195 4.545 4.740 -0.000 0.000 0.271 439 N C -1.393 174.142 175.510 0.042 0.000 1.146 439 N CA 0.787 53.864 53.050 0.045 0.000 0.711 439 N CB -0.594 37.916 38.487 0.039 0.000 0.883 439 N HN 0.402 nan 8.380 nan 0.000 0.548 440 D N -0.493 119.930 120.400 0.037 0.000 2.552 440 D HA 0.516 5.156 4.640 -0.000 0.000 0.239 440 D C -2.586 173.718 176.300 0.005 0.000 1.139 440 D CA -1.321 52.687 54.000 0.014 0.000 0.914 440 D CB 1.448 42.262 40.800 0.024 0.000 1.461 440 D HN -0.067 nan 8.370 nan 0.000 0.462 441 P HA 0.181 nan 4.420 nan 0.000 0.277 441 P C -0.877 176.431 177.300 0.013 0.000 1.354 441 P CA -0.385 62.705 63.100 -0.017 0.000 0.891 441 P CB 0.386 32.049 31.700 -0.062 0.000 1.058 442 V N 2.301 122.257 119.914 0.070 0.000 2.628 442 V HA 0.493 4.613 4.120 -0.000 0.000 0.306 442 V C -0.292 175.905 176.094 0.171 0.000 1.045 442 V CA -1.103 61.267 62.300 0.116 0.000 0.905 442 V CB 2.371 34.270 31.823 0.126 0.000 0.997 442 V HN 0.293 nan 8.190 nan 0.000 0.436 443 L N 4.478 125.816 121.223 0.191 0.000 2.282 443 L HA 0.622 4.962 4.340 -0.000 0.000 0.288 443 L C -1.348 175.693 176.870 0.284 0.000 1.033 443 L CA -0.507 54.454 54.840 0.202 0.000 0.807 443 L CB 1.322 43.440 42.059 0.098 0.000 1.209 443 L HN 0.891 nan 8.230 nan 0.000 0.423 444 F N 6.930 126.931 119.950 0.084 0.000 2.959 444 F HA 0.317 4.844 4.527 -0.000 0.000 0.379 444 F C -0.345 175.466 175.800 0.018 0.000 1.215 444 F CA -0.793 57.188 58.000 -0.032 0.000 1.190 444 F CB 0.497 39.387 39.000 -0.185 0.000 1.574 444 F HN 0.529 nan 8.300 nan 0.000 0.575 445 N N 4.286 122.809 118.700 -0.295 0.000 2.604 445 N HA 0.555 5.295 4.740 -0.000 0.000 0.297 445 N C -1.345 173.940 175.510 -0.374 0.000 1.266 445 N CA -0.779 52.181 53.050 -0.150 0.000 0.961 445 N CB 1.953 40.431 38.487 -0.015 0.000 1.166 445 N HN 0.689 nan 8.380 nan 0.000 0.601 446 R N 0.441 120.877 120.500 -0.108 0.000 2.508 446 R HA 0.148 4.488 4.340 -0.000 0.000 0.283 446 R C -1.368 174.908 176.300 -0.039 0.000 1.120 446 R CA -0.395 55.620 56.100 -0.140 0.000 0.958 446 R CB 1.293 31.505 30.300 -0.147 0.000 1.215 446 R HN 0.624 nan 8.270 nan 0.000 0.427 447 Q N 3.345 123.112 119.800 -0.055 0.000 2.354 447 Q HA 0.342 4.682 4.340 -0.000 0.000 0.244 447 Q C -2.165 173.818 176.000 -0.029 0.000 0.969 447 Q CA -1.308 54.475 55.803 -0.033 0.000 0.885 447 Q CB 0.703 29.423 28.738 -0.030 0.000 1.241 447 Q HN 0.432 nan 8.270 nan 0.000 0.461 448 P HA 0.128 nan 4.420 nan 0.000 0.280 448 P C -1.164 176.113 177.300 -0.038 0.000 1.244 448 P CA -0.424 62.657 63.100 -0.032 0.000 0.784 448 P CB 1.003 32.681 31.700 -0.036 0.000 0.913 449 S N 2.759 118.436 115.700 -0.039 0.000 2.701 449 S HA 0.169 4.639 4.470 -0.000 0.000 0.317 449 S C 0.773 175.327 174.600 -0.076 0.000 1.149 449 S CA -0.384 57.790 58.200 -0.043 0.000 1.052 449 S CB -0.670 62.509 63.200 -0.035 0.000 1.257 449 S HN 0.345 nan 8.310 nan 0.000 0.532 450 L N -0.698 120.448 121.223 -0.128 0.000 2.966 450 L HA 0.570 4.909 4.340 -0.000 0.000 0.262 450 L C 0.094 176.769 176.870 -0.325 0.000 1.165 450 L CA -0.015 54.692 54.840 -0.222 0.000 0.978 450 L CB -0.850 41.051 42.059 -0.264 0.000 1.337 450 L HN 0.392 nan 8.230 nan 0.000 0.563 451 H N -0.215 118.798 119.070 -0.096 0.000 2.737 451 H HA 0.456 5.012 4.556 -0.000 0.000 0.358 451 H C 0.452 175.713 175.328 -0.112 0.000 1.187 451 H CA -0.786 55.193 56.048 -0.115 0.000 1.221 451 H CB 1.517 31.197 29.762 -0.137 0.000 1.799 451 H HN -0.071 nan 8.280 nan 0.000 0.568 452 K N 0.203 120.627 120.400 0.041 0.000 2.148 452 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 452 K C 1.182 177.747 176.600 -0.057 0.000 1.050 452 K CA 1.430 57.702 56.287 -0.024 0.000 0.942 452 K CB -0.035 32.437 32.500 -0.047 0.000 0.724 452 K HN 0.316 nan 8.250 nan 0.000 0.446 453 M N 1.286 120.833 119.600 -0.088 0.000 2.629 453 M HA -0.006 4.474 4.480 -0.000 0.000 0.257 453 M C 1.454 177.563 176.300 -0.319 0.000 1.071 453 M CA 1.056 56.205 55.300 -0.253 0.000 1.077 453 M CB -0.218 32.094 32.600 -0.481 0.000 1.423 453 M HN 0.136 nan 8.290 nan 0.000 0.508 454 S N -1.036 114.589 115.700 -0.125 0.000 2.486 454 S HA 0.266 4.736 4.470 -0.000 0.000 0.220 454 S C 0.754 175.342 174.600 -0.021 0.000 1.011 454 S CA 0.357 58.482 58.200 -0.124 0.000 0.921 454 S CB 0.163 63.376 63.200 0.021 0.000 0.785 454 S HN 0.351 nan 8.310 nan 0.000 0.517 455 M N 2.078 121.672 119.600 -0.011 0.000 2.114 455 M HA 0.467 4.946 4.480 -0.000 0.000 0.332 455 M C -1.112 175.235 176.300 0.079 0.000 1.014 455 M CA 0.184 55.520 55.300 0.060 0.000 0.956 455 M CB 1.321 33.922 32.600 0.002 0.000 1.551 455 M HN 0.131 nan 8.290 nan 0.000 0.427 456 M N 1.886 121.623 119.600 0.228 0.000 2.619 456 M HA 0.681 5.161 4.480 -0.000 0.000 0.297 456 M C -0.565 175.916 176.300 0.302 0.000 1.229 456 M CA -0.985 54.447 55.300 0.220 0.000 0.860 456 M CB 2.214 34.956 32.600 0.237 0.000 1.741 456 M HN 0.616 nan 8.290 nan 0.000 0.462 457 A N 1.097 124.011 122.820 0.158 0.000 2.331 457 A HA 0.607 4.927 4.320 -0.000 0.000 0.283 457 A C -0.846 176.798 177.584 0.100 0.000 1.142 457 A CA -0.200 51.922 52.037 0.142 0.000 0.812 457 A CB 0.234 19.262 19.000 0.046 0.000 1.074 457 A HN 0.872 nan 8.150 nan 0.000 0.497 458 H N 0.733 119.832 119.070 0.047 0.000 2.855 458 H HA 0.447 5.003 4.556 -0.000 0.000 0.363 458 H C -0.533 174.785 175.328 -0.017 0.000 1.185 458 H CA -0.767 55.279 56.048 -0.003 0.000 1.174 458 H CB 1.751 31.463 29.762 -0.083 0.000 1.857 458 H HN 0.713 nan 8.280 nan 0.000 0.565 459 R N 0.698 121.253 120.500 0.091 0.000 2.474 459 R HA 0.353 4.693 4.340 -0.000 0.000 0.295 459 R C -0.861 175.469 176.300 0.049 0.000 0.980 459 R CA -0.754 55.377 56.100 0.050 0.000 0.934 459 R CB 1.403 31.719 30.300 0.027 0.000 1.101 459 R HN 0.228 nan 8.270 nan 0.000 0.469 460 V N 2.760 122.702 119.914 0.046 0.000 2.432 460 V HA 0.296 4.416 4.120 -0.000 0.000 0.275 460 V C -0.128 175.992 176.094 0.043 0.000 1.043 460 V CA -0.560 61.768 62.300 0.046 0.000 0.925 460 V CB 1.059 32.924 31.823 0.071 0.000 0.985 460 V HN 0.586 nan 8.190 nan 0.000 0.466 461 K N 4.088 124.503 120.400 0.025 0.000 2.413 461 K HA 0.584 4.903 4.320 -0.000 0.000 0.257 461 K C -1.014 175.587 176.600 0.001 0.000 0.946 461 K CA -0.465 55.833 56.287 0.018 0.000 0.823 461 K CB 1.709 34.212 32.500 0.005 0.000 1.109 461 K HN 0.524 nan 8.250 nan 0.000 0.427 462 V N 5.990 125.902 119.914 -0.003 0.000 2.555 462 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 462 V C 0.173 176.213 176.094 -0.091 0.000 1.044 462 V CA -0.460 61.804 62.300 -0.059 0.000 1.026 462 V CB -0.024 31.713 31.823 -0.143 0.000 0.981 462 V HN 0.708 nan 8.190 nan 0.000 0.480 463 I N 3.067 123.587 120.570 -0.083 0.000 2.828 463 I HA 0.742 4.912 4.170 -0.000 0.000 0.302 463 I C -2.925 173.180 176.117 -0.019 0.000 1.101 463 I CA -2.928 58.340 61.300 -0.052 0.000 1.031 463 I CB 1.590 39.564 38.000 -0.042 0.000 1.231 463 I HN 0.293 nan 8.210 nan 0.000 0.427 464 P HA 0.304 nan 4.420 nan 0.000 0.269 464 P C -1.488 176.059 177.300 0.413 0.000 1.209 464 P CA 0.596 63.807 63.100 0.184 0.000 0.776 464 P CB 0.072 31.944 31.700 0.287 0.000 0.876 465 Y N -1.260 118.999 120.300 -0.068 0.000 2.507 465 Y HA -0.214 4.337 4.550 0.002 0.000 0.021 465 Y C 1.019 176.864 175.900 -0.090 0.000 1.703 465 Y CA 0.200 58.259 58.100 -0.067 0.000 1.418 465 Y CB -2.033 36.390 38.460 -0.061 0.000 2.064 465 Y HN 0.309 nan 8.280 nan 0.000 0.254 466 S N -0.465 115.272 115.700 0.062 0.000 2.583 466 S HA 0.242 4.712 4.470 -0.000 0.000 0.239 466 S C 0.231 174.791 174.600 -0.067 0.000 0.966 466 S CA 0.171 58.349 58.200 -0.037 0.000 0.973 466 S CB -0.296 62.877 63.200 -0.045 0.000 0.794 466 S HN 0.717 nan 8.310 nan 0.000 0.463 467 T N -0.566 113.964 114.554 -0.039 0.000 2.929 467 T HA 0.649 4.999 4.350 -0.000 0.000 0.284 467 T C -0.339 174.297 174.700 -0.106 0.000 1.014 467 T CA -0.681 61.401 62.100 -0.031 0.000 1.051 467 T CB 0.583 69.458 68.868 0.011 0.000 1.028 467 T HN 0.086 nan 8.240 nan 0.000 0.485 468 F N 1.924 121.892 119.950 0.031 0.000 2.421 468 F HA 0.406 4.933 4.527 0.001 0.000 0.358 468 F C 1.348 177.134 175.800 -0.022 0.000 1.115 468 F CA -0.765 57.243 58.000 0.013 0.000 1.160 468 F CB 0.839 39.913 39.000 0.123 0.000 1.123 468 F HN 0.340 nan 8.300 nan 0.000 0.508 469 R N 4.661 125.212 120.500 0.085 0.000 2.732 469 R HA 0.907 5.247 4.340 -0.000 0.000 0.278 469 R C -1.451 174.824 176.300 -0.042 0.000 0.976 469 R CA -1.117 54.969 56.100 -0.023 0.000 0.963 469 R CB 1.661 31.907 30.300 -0.091 0.000 1.150 469 R HN 0.511 nan 8.270 nan 0.000 0.478 470 L N -1.560 119.646 121.223 -0.028 0.000 2.720 470 L HA 0.469 4.809 4.340 -0.000 0.000 0.261 470 L C -0.643 176.264 176.870 0.060 0.000 1.046 470 L CA -1.234 53.606 54.840 0.000 0.000 0.886 470 L CB 0.948 43.007 42.059 -0.001 0.000 1.493 470 L HN 0.421 nan 8.230 nan 0.000 0.407 471 N N -0.210 118.538 118.700 0.080 0.000 2.395 471 N HA 0.175 4.915 4.740 -0.000 0.000 0.246 471 N C 0.648 176.235 175.510 0.128 0.000 1.246 471 N CA 0.109 53.200 53.050 0.068 0.000 0.879 471 N CB 0.566 39.064 38.487 0.017 0.000 1.098 471 N HN 0.769 nan 8.380 nan 0.000 0.444 472 L N 1.171 122.462 121.223 0.114 0.000 2.633 472 L HA -0.039 4.301 4.340 -0.000 0.000 0.235 472 L C 0.757 177.708 176.870 0.136 0.000 1.163 472 L CA 0.748 55.692 54.840 0.174 0.000 0.859 472 L CB -0.067 42.073 42.059 0.135 0.000 0.973 472 L HN 0.546 nan 8.230 nan 0.000 0.451 473 S N -2.219 113.522 115.700 0.067 0.000 2.900 473 S HA 0.113 4.583 4.470 -0.000 0.000 0.253 473 S C 0.680 175.224 174.600 -0.093 0.000 1.029 473 S CA -0.213 57.992 58.200 0.007 0.000 1.096 473 S CB 1.177 64.404 63.200 0.044 0.000 1.067 473 S HN 0.082 nan 8.310 nan 0.000 0.610 474 V N 1.695 121.618 119.914 0.014 0.000 3.342 474 V HA 0.142 4.262 4.120 -0.000 0.000 0.322 474 V C 1.534 177.777 176.094 0.248 0.000 1.370 474 V CA 0.682 63.047 62.300 0.108 0.000 1.170 474 V CB -0.325 31.634 31.823 0.227 0.000 1.101 474 V HN 0.405 nan 8.190 nan 0.000 0.442 475 T N 0.353 114.993 114.554 0.145 0.000 2.639 475 T HA -0.146 4.204 4.350 -0.000 0.000 0.261 475 T C 2.052 176.807 174.700 0.091 0.000 1.053 475 T CA 2.269 64.434 62.100 0.109 0.000 1.158 475 T CB -0.071 68.822 68.868 0.043 0.000 0.863 475 T HN 0.624 nan 8.240 nan 0.000 0.413 476 S N 1.861 117.583 115.700 0.036 0.000 2.359 476 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 476 S C -0.526 174.052 174.600 -0.037 0.000 1.035 476 S CA 1.314 59.514 58.200 0.000 0.000 1.018 476 S CB -1.309 61.884 63.200 -0.012 0.000 0.876 476 S HN 0.458 nan 8.310 nan 0.000 0.448 477 P HA 0.002 nan 4.420 nan 0.000 0.230 477 P C 0.378 177.517 177.300 -0.269 0.000 1.158 477 P CA 0.918 63.844 63.100 -0.290 0.000 0.769 477 P CB -0.096 31.357 31.700 -0.412 0.000 0.807 478 Y N -1.992 118.300 120.300 -0.015 0.000 2.503 478 Y HA 0.089 4.639 4.550 0.000 0.000 0.277 478 Y C 1.546 177.429 175.900 -0.028 0.000 1.102 478 Y CA 0.265 58.354 58.100 -0.019 0.000 1.261 478 Y CB -0.104 38.329 38.460 -0.045 0.000 1.096 478 Y HN -0.112 nan 8.280 nan 0.000 0.546 479 N N -0.520 118.241 118.700 0.102 0.000 2.951 479 N HA -0.207 4.532 4.740 -0.000 0.000 0.213 479 N C 0.081 175.576 175.510 -0.026 0.000 0.877 479 N CA 0.672 53.740 53.050 0.031 0.000 1.042 479 N CB -1.393 37.112 38.487 0.029 0.000 1.005 479 N HN 0.281 nan 8.380 nan 0.000 0.604 480 A N 0.366 123.166 122.820 -0.033 0.000 2.520 480 A HA 0.363 4.683 4.320 -0.000 0.000 0.235 480 A C 0.480 177.877 177.584 -0.311 0.000 1.065 480 A CA 0.916 52.862 52.037 -0.153 0.000 0.764 480 A CB 0.066 18.963 19.000 -0.172 0.000 1.002 480 A HN 0.553 nan 8.150 nan 0.000 0.502 481 D N -0.386 119.798 120.400 -0.360 0.000 2.627 481 D HA 0.525 5.165 4.640 -0.000 0.000 0.259 481 D C -0.458 175.433 176.300 -0.681 0.000 1.164 481 D CA -0.508 53.166 54.000 -0.543 0.000 1.087 481 D CB 0.106 40.770 40.800 -0.227 0.000 1.217 481 D HN 0.327 nan 8.370 nan 0.000 0.630 482 F N -0.540 119.421 119.950 0.019 0.000 2.791 482 F HA 0.166 4.693 4.527 0.000 0.000 0.308 482 F C 0.656 176.466 175.800 0.017 0.000 1.138 482 F CA -0.736 57.276 58.000 0.019 0.000 1.294 482 F CB 0.185 39.197 39.000 0.021 0.000 0.975 482 F HN 0.100 nan 8.300 nan 0.000 0.512 483 D N -0.175 120.280 120.400 0.092 0.000 2.346 483 D HA 0.189 4.829 4.640 -0.000 0.000 0.248 483 D C 1.608 177.942 176.300 0.056 0.000 1.173 483 D CA 0.528 54.567 54.000 0.065 0.000 0.878 483 D CB 0.015 40.832 40.800 0.029 0.000 0.919 483 D HN 0.405 nan 8.370 nan 0.000 0.513 484 G N 0.009 108.856 108.800 0.079 0.000 2.164 484 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.154 484 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.154 484 G C -0.605 174.327 174.900 0.053 0.000 1.014 484 G CA -0.454 44.686 45.100 0.068 0.000 0.683 484 G HN 0.330 nan 8.290 nan 0.000 0.500 485 D N 1.368 121.793 120.400 0.041 0.000 2.455 485 D HA 0.426 5.066 4.640 -0.000 0.000 0.241 485 D C 0.762 177.082 176.300 0.033 0.000 1.138 485 D CA 0.632 54.638 54.000 0.010 0.000 0.877 485 D CB 0.795 41.572 40.800 -0.038 0.000 1.187 485 D HN 0.505 nan 8.370 nan 0.000 0.451 486 E N 1.100 121.305 120.200 0.009 0.000 2.250 486 E HA 0.558 4.908 4.350 -0.000 0.000 0.269 486 E C -0.131 176.432 176.600 -0.061 0.000 1.018 486 E CA -0.640 55.770 56.400 0.018 0.000 0.873 486 E CB 1.373 31.085 29.700 0.021 0.000 1.134 486 E HN 0.307 nan 8.360 nan 0.000 0.403 487 M N 1.185 120.724 119.600 -0.102 0.000 2.575 487 M HA 0.355 4.835 4.480 -0.000 0.000 0.284 487 M C -1.125 174.933 176.300 -0.403 0.000 1.253 487 M CA -0.889 54.200 55.300 -0.352 0.000 0.861 487 M CB 2.243 34.491 32.600 -0.588 0.000 1.733 487 M HN 0.421 nan 8.290 nan 0.000 0.462 488 N N 0.770 119.166 118.700 -0.506 0.000 2.525 488 N HA 0.927 5.667 4.740 -0.000 0.000 0.288 488 N C -1.638 173.701 175.510 -0.286 0.000 1.242 488 N CA -0.628 52.245 53.050 -0.294 0.000 0.905 488 N CB 1.940 40.373 38.487 -0.091 0.000 1.258 488 N HN 0.607 nan 8.380 nan 0.000 0.551 489 L N -0.364 120.849 121.223 -0.016 0.000 2.703 489 L HA 0.355 4.695 4.340 -0.000 0.000 0.257 489 L C -1.845 175.099 176.870 0.123 0.000 0.923 489 L CA -0.420 54.517 54.840 0.162 0.000 0.936 489 L CB 1.275 43.431 42.059 0.161 0.000 1.482 489 L HN 0.655 nan 8.230 nan 0.000 0.432 490 H N 3.337 122.474 119.070 0.113 0.000 2.821 490 H HA 0.694 5.250 4.556 0.000 0.000 0.373 490 H C -1.354 174.042 175.328 0.114 0.000 1.165 490 H CA -0.948 55.171 56.048 0.117 0.000 1.154 490 H CB 2.774 32.590 29.762 0.089 0.000 1.765 490 H HN 0.327 nan 8.280 nan 0.000 0.549 491 V N 3.908 123.960 119.914 0.231 0.000 2.357 491 V HA 0.161 4.281 4.120 -0.000 0.000 0.281 491 V C -2.223 173.890 176.094 0.031 0.000 1.015 491 V CA -1.649 60.728 62.300 0.129 0.000 0.827 491 V CB 1.294 33.209 31.823 0.152 0.000 1.018 491 V HN 0.601 nan 8.190 nan 0.000 0.432 492 P HA 0.059 nan 4.420 nan 0.000 0.262 492 P C 0.066 177.303 177.300 -0.106 0.000 1.182 492 P CA 0.161 63.214 63.100 -0.077 0.000 0.761 492 P CB 0.961 32.587 31.700 -0.124 0.000 0.795 493 Q N 0.516 120.271 119.800 -0.075 0.000 2.424 493 Q HA 0.058 4.398 4.340 -0.000 0.000 0.204 493 Q C 0.749 176.849 176.000 0.166 0.000 0.933 493 Q CA 0.693 56.489 55.803 -0.012 0.000 0.929 493 Q CB 0.116 28.731 28.738 -0.205 0.000 1.037 493 Q HN 0.604 nan 8.270 nan 0.000 0.511 494 S N -0.913 114.848 115.700 0.101 0.000 2.542 494 S HA 0.386 4.856 4.470 -0.000 0.000 0.293 494 S C 0.701 175.349 174.600 0.079 0.000 1.089 494 S CA -0.774 57.498 58.200 0.119 0.000 0.961 494 S CB 2.414 65.648 63.200 0.055 0.000 1.062 494 S HN -0.183 nan 8.310 nan 0.000 0.483 495 E N 1.719 121.991 120.200 0.120 0.000 2.070 495 E HA -0.186 4.163 4.350 -0.000 0.000 0.197 495 E C 1.652 178.269 176.600 0.029 0.000 1.004 495 E CA 1.629 58.074 56.400 0.075 0.000 0.805 495 E CB -0.255 29.507 29.700 0.102 0.000 0.744 495 E HN 0.823 nan 8.360 nan 0.000 0.451 496 E N -0.174 120.046 120.200 0.033 0.000 2.048 496 E HA -0.182 4.168 4.350 -0.000 0.000 0.202 496 E C 2.108 178.710 176.600 0.003 0.000 1.021 496 E CA 1.865 58.277 56.400 0.021 0.000 0.825 496 E CB -0.313 29.400 29.700 0.022 0.000 0.756 496 E HN 0.254 nan 8.360 nan 0.000 0.454 497 T N 1.108 115.659 114.554 -0.005 0.000 2.759 497 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 497 T C 1.847 176.523 174.700 -0.039 0.000 1.042 497 T CA 1.169 63.256 62.100 -0.021 0.000 1.140 497 T CB -0.162 68.693 68.868 -0.023 0.000 0.864 497 T HN 0.156 nan 8.240 nan 0.000 0.455 498 R N 0.880 121.345 120.500 -0.059 0.000 2.070 498 R HA 0.028 4.367 4.340 -0.000 0.000 0.233 498 R C 2.932 179.207 176.300 -0.042 0.000 1.137 498 R CA 1.293 57.342 56.100 -0.085 0.000 0.945 498 R CB -0.627 29.598 30.300 -0.125 0.000 0.845 498 R HN 0.387 nan 8.270 nan 0.000 0.430 499 A N 1.433 124.242 122.820 -0.019 0.000 1.849 499 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 499 A C 1.950 179.528 177.584 -0.009 0.000 1.202 499 A CA 1.759 53.792 52.037 -0.006 0.000 0.629 499 A CB -0.700 18.306 19.000 0.010 0.000 0.834 499 A HN 0.382 nan 8.150 nan 0.000 0.447 500 E N -0.964 119.231 120.200 -0.009 0.000 2.393 500 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 500 E C 1.694 178.284 176.600 -0.016 0.000 1.025 500 E CA 0.638 57.032 56.400 -0.011 0.000 0.856 500 E CB -0.166 29.526 29.700 -0.013 0.000 0.771 500 E HN 0.656 nan 8.360 nan 0.000 0.526 501 L N -0.767 120.445 121.223 -0.018 0.000 2.286 501 L HA -0.027 4.313 4.340 -0.000 0.000 0.203 501 L C 2.081 178.944 176.870 -0.012 0.000 1.068 501 L CA 0.793 55.626 54.840 -0.012 0.000 0.811 501 L CB 0.166 42.218 42.059 -0.011 0.000 0.989 501 L HN 0.085 nan 8.230 nan 0.000 0.467 502 S N -1.786 113.905 115.700 -0.016 0.000 2.593 502 S HA 0.042 4.512 4.470 -0.000 0.000 0.217 502 S C 1.427 176.016 174.600 -0.018 0.000 0.966 502 S CA -0.050 58.140 58.200 -0.017 0.000 0.914 502 S CB 0.237 63.427 63.200 -0.016 0.000 0.776 502 S HN 0.303 nan 8.310 nan 0.000 0.523 503 Q N 0.281 120.070 119.800 -0.018 0.000 2.316 503 Q HA 0.445 4.785 4.340 -0.000 0.000 0.235 503 Q C 1.446 177.430 176.000 -0.028 0.000 0.863 503 Q CA 0.453 56.244 55.803 -0.019 0.000 0.939 503 Q CB 0.261 28.992 28.738 -0.011 0.000 1.108 503 Q HN 0.564 nan 8.270 nan 0.000 0.522 504 L N -2.319 118.887 121.223 -0.029 0.000 2.713 504 L HA 0.197 4.537 4.340 -0.000 0.000 0.223 504 L C 1.789 178.637 176.870 -0.037 0.000 1.040 504 L CA 0.143 54.961 54.840 -0.038 0.000 0.894 504 L CB -0.088 41.948 42.059 -0.039 0.000 1.361 504 L HN -0.055 nan 8.230 nan 0.000 0.490 505 C N 1.463 120.747 119.300 -0.027 0.000 2.514 505 C HA 0.394 4.854 4.460 -0.000 0.000 0.271 505 C C 1.687 176.661 174.990 -0.026 0.000 1.399 505 C CA -0.630 58.376 59.018 -0.020 0.000 1.765 505 C CB -0.788 26.952 27.740 0.001 0.000 1.893 505 C HN 0.429 nan 8.230 nan 0.000 0.531 506 A N 1.033 123.832 122.820 -0.036 0.000 2.591 506 A HA 0.163 4.483 4.320 -0.000 0.000 0.244 506 A C 1.383 178.913 177.584 -0.089 0.000 1.031 506 A CA 0.441 52.442 52.037 -0.060 0.000 0.767 506 A CB 0.234 19.205 19.000 -0.049 0.000 0.942 506 A HN 0.325 nan 8.150 nan 0.000 0.514 507 V N 4.369 124.188 119.914 -0.159 0.000 2.392 507 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 507 V C -0.354 175.664 176.094 -0.127 0.000 1.059 507 V CA 2.645 64.831 62.300 -0.189 0.000 1.051 507 V CB -1.326 30.262 31.823 -0.391 0.000 0.658 507 V HN 0.820 nan 8.190 nan 0.000 0.455 508 P HA -0.078 nan 4.420 nan 0.000 0.219 508 P C 1.870 179.153 177.300 -0.029 0.000 1.150 508 P CA 1.127 64.200 63.100 -0.045 0.000 0.814 508 P CB -0.046 31.640 31.700 -0.022 0.000 0.787 509 L N -0.494 120.705 121.223 -0.041 0.000 2.013 509 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 509 L C 2.236 179.077 176.870 -0.048 0.000 1.073 509 L CA 1.462 56.279 54.840 -0.039 0.000 0.753 509 L CB -1.486 40.548 42.059 -0.042 0.000 0.890 509 L HN 0.025 nan 8.230 nan 0.000 0.432 510 Q N 0.153 119.915 119.800 -0.064 0.000 2.561 510 Q HA -0.090 4.250 4.340 -0.000 0.000 0.217 510 Q C 2.127 178.084 176.000 -0.072 0.000 0.980 510 Q CA 0.964 56.719 55.803 -0.080 0.000 0.927 510 Q CB -0.427 28.247 28.738 -0.107 0.000 0.980 510 Q HN 0.627 nan 8.270 nan 0.000 0.525 511 I N -0.131 120.418 120.570 -0.035 0.000 2.151 511 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 511 I C 1.138 177.261 176.117 0.010 0.000 1.080 511 I CA 0.851 62.159 61.300 0.013 0.000 1.339 511 I CB -0.006 38.050 38.000 0.095 0.000 1.039 511 I HN -0.023 nan 8.210 nan 0.000 0.409 512 V N 1.281 121.196 119.914 0.002 0.000 2.385 512 V HA 0.130 4.250 4.120 -0.000 0.000 0.269 512 V C 0.302 176.370 176.094 -0.042 0.000 1.043 512 V CA -0.210 62.090 62.300 0.001 0.000 0.906 512 V CB 1.222 33.075 31.823 0.050 0.000 0.995 512 V HN 0.240 nan 8.190 nan 0.000 0.467 513 S N 9.459 125.122 115.700 -0.062 0.000 2.405 513 S HA 0.384 4.854 4.470 -0.000 0.000 0.291 513 S C -1.287 173.291 174.600 -0.037 0.000 1.137 513 S CA -1.194 56.960 58.200 -0.078 0.000 1.061 513 S CB 1.032 64.163 63.200 -0.115 0.000 1.001 513 S HN 0.766 nan 8.310 nan 0.000 0.507 514 P HA -0.068 nan 4.420 nan 0.000 0.250 514 P C 0.553 177.942 177.300 0.147 0.000 1.239 514 P CA 0.515 63.654 63.100 0.066 0.000 0.756 514 P CB 0.046 31.782 31.700 0.059 0.000 1.013 515 Q N -0.087 119.742 119.800 0.050 0.000 2.388 515 Q HA 0.082 4.422 4.340 -0.000 0.000 0.204 515 Q C 0.881 176.901 176.000 0.033 0.000 0.946 515 Q CA 0.800 56.620 55.803 0.028 0.000 0.880 515 Q CB 0.341 29.034 28.738 -0.074 0.000 0.997 515 Q HN 0.019 nan 8.270 nan 0.000 0.552 516 S N 2.029 117.683 115.700 -0.078 0.000 2.741 516 S HA 0.080 4.550 4.470 -0.000 0.000 0.247 516 S C -0.458 174.033 174.600 -0.183 0.000 1.050 516 S CA 0.148 58.212 58.200 -0.228 0.000 1.025 516 S CB 0.158 63.234 63.200 -0.205 0.000 0.897 516 S HN 0.671 nan 8.310 nan 0.000 0.508 517 N N 2.620 121.275 118.700 -0.074 0.000 2.696 517 N HA -0.285 4.454 4.740 -0.000 0.000 0.254 517 N C -0.340 175.117 175.510 -0.089 0.000 0.988 517 N CA 1.287 54.330 53.050 -0.012 0.000 0.775 517 N CB -1.473 37.049 38.487 0.057 0.000 0.933 517 N HN 0.620 nan 8.380 nan 0.000 0.539 518 K N -2.695 117.607 120.400 -0.164 0.000 2.555 518 K HA 0.561 4.881 4.320 -0.000 0.000 0.279 518 K C -3.547 172.935 176.600 -0.196 0.000 0.986 518 K CA -1.745 54.340 56.287 -0.337 0.000 0.880 518 K CB 2.253 34.578 32.500 -0.292 0.000 1.474 518 K HN -0.067 nan 8.250 nan 0.000 0.433 519 P HA 0.165 nan 4.420 nan 0.000 0.278 519 P C 0.791 178.064 177.300 -0.046 0.000 1.238 519 P CA -0.485 62.583 63.100 -0.053 0.000 0.794 519 P CB 0.730 32.443 31.700 0.021 0.000 0.955 520 C N 0.953 120.224 119.300 -0.049 0.000 2.926 520 C HA 0.353 4.813 4.460 -0.000 0.000 0.272 520 C C 0.967 175.937 174.990 -0.034 0.000 1.249 520 C CA -0.418 58.555 59.018 -0.074 0.000 1.691 520 C CB -0.981 26.660 27.740 -0.165 0.000 1.983 520 C HN 0.358 nan 8.230 nan 0.000 0.615 521 M N 2.179 121.797 119.600 0.030 0.000 2.264 521 M HA 0.619 5.099 4.480 -0.000 0.000 0.352 521 M C 0.214 176.674 176.300 0.266 0.000 1.173 521 M CA 0.377 55.723 55.300 0.077 0.000 1.075 521 M CB 1.047 33.630 32.600 -0.028 0.000 1.621 521 M HN 0.424 nan 8.290 nan 0.000 0.457 522 G N 1.718 110.669 108.800 0.251 0.000 2.866 522 G HA2 0.712 4.672 3.960 -0.000 0.000 0.289 522 G HA3 0.712 4.672 3.960 -0.000 0.000 0.289 522 G C -1.628 173.453 174.900 0.302 0.000 1.396 522 G CA -0.650 44.608 45.100 0.263 0.000 0.848 522 G HN 0.499 nan 8.290 nan 0.000 0.515 523 I N 0.838 121.508 120.570 0.166 0.000 2.297 523 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 523 I C -0.107 176.055 176.117 0.075 0.000 1.033 523 I CA -0.269 61.104 61.300 0.122 0.000 1.253 523 I CB 1.242 39.265 38.000 0.039 0.000 1.396 523 I HN 0.105 nan 8.210 nan 0.000 0.476 524 V N 6.696 126.660 119.914 0.083 0.000 2.680 524 V HA 0.498 4.618 4.120 -0.000 0.000 0.309 524 V C 0.368 176.497 176.094 0.058 0.000 1.052 524 V CA -0.591 61.748 62.300 0.065 0.000 0.908 524 V CB 1.493 33.362 31.823 0.076 0.000 1.001 524 V HN 0.885 nan 8.190 nan 0.000 0.431 525 Q N 1.235 121.062 119.800 0.045 0.000 1.675 525 Q HA -0.346 3.994 4.340 -0.000 0.000 0.365 525 Q C 1.009 177.032 176.000 0.038 0.000 0.856 525 Q CA 1.828 57.659 55.803 0.048 0.000 0.832 525 Q CB -0.918 27.861 28.738 0.068 0.000 3.604 525 Q HN 0.927 nan 8.270 nan 0.000 0.678 526 D N -0.214 120.219 120.400 0.055 0.000 2.230 526 D HA -0.223 4.417 4.640 -0.000 0.000 0.189 526 D C 1.965 178.281 176.300 0.026 0.000 1.006 526 D CA 3.116 57.145 54.000 0.048 0.000 0.853 526 D CB -0.746 40.088 40.800 0.057 0.000 0.959 526 D HN 0.712 nan 8.370 nan 0.000 0.449 527 T N -0.606 113.967 114.554 0.031 0.000 2.624 527 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 527 T C 1.997 176.697 174.700 -0.000 0.000 1.041 527 T CA 2.012 64.125 62.100 0.021 0.000 1.159 527 T CB -0.762 68.126 68.868 0.033 0.000 0.863 527 T HN 0.154 nan 8.240 nan 0.000 0.434 528 L N 0.944 122.167 121.223 -0.001 0.000 2.046 528 L HA 0.071 4.410 4.340 -0.000 0.000 0.208 528 L C 2.874 179.710 176.870 -0.057 0.000 1.077 528 L CA 1.528 56.353 54.840 -0.025 0.000 0.747 528 L CB -1.537 40.515 42.059 -0.012 0.000 0.896 528 L HN 0.643 nan 8.230 nan 0.000 0.432 529 C N 0.002 119.264 119.300 -0.064 0.000 2.413 529 C HA -0.072 4.387 4.460 -0.000 0.000 0.276 529 C C 2.588 177.482 174.990 -0.161 0.000 1.236 529 C CA 1.099 60.028 59.018 -0.148 0.000 1.735 529 C CB -1.644 25.981 27.740 -0.192 0.000 2.031 529 C HN 0.729 nan 8.230 nan 0.000 0.474 530 G N -1.157 107.601 108.800 -0.070 0.000 3.088 530 G HA2 0.132 4.092 3.960 -0.000 0.000 0.217 530 G HA3 0.132 4.092 3.960 -0.000 0.000 0.217 530 G C 1.280 176.150 174.900 -0.050 0.000 1.159 530 G CA 0.334 45.445 45.100 0.018 0.000 0.760 530 G HN 0.626 nan 8.290 nan 0.000 0.550 531 I N -0.384 120.137 120.570 -0.083 0.000 3.793 531 I HA 0.253 4.423 4.170 -0.000 0.000 0.315 531 I C 2.318 178.343 176.117 -0.153 0.000 1.275 531 I CA -0.048 61.175 61.300 -0.130 0.000 1.214 531 I CB 0.059 38.003 38.000 -0.093 0.000 1.018 531 I HN 0.122 nan 8.210 nan 0.000 0.439 532 R N 0.997 121.412 120.500 -0.141 0.000 2.062 532 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 532 R C 2.067 178.257 176.300 -0.184 0.000 1.125 532 R CA 0.870 56.882 56.100 -0.146 0.000 0.966 532 R CB -0.003 30.223 30.300 -0.123 0.000 0.861 532 R HN 0.235 nan 8.270 nan 0.000 0.433 533 K N 1.029 121.318 120.400 -0.185 0.000 1.987 533 K HA -0.212 4.108 4.320 -0.000 0.000 0.216 533 K C 2.200 178.531 176.600 -0.447 0.000 1.051 533 K CA 1.720 57.889 56.287 -0.198 0.000 0.942 533 K CB -0.652 31.857 32.500 0.016 0.000 0.722 533 K HN 0.238 nan 8.250 nan 0.000 0.444 534 L N 1.734 122.491 121.223 -0.776 0.000 2.197 534 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 534 L C 2.063 178.600 176.870 -0.556 0.000 1.095 534 L CA 2.025 56.242 54.840 -1.037 0.000 0.764 534 L CB -0.424 41.088 42.059 -0.911 0.000 0.897 534 L HN 0.356 nan 8.230 nan 0.000 0.436 535 T N -2.878 111.456 114.554 -0.367 0.000 3.044 535 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 535 T C 0.932 175.503 174.700 -0.214 0.000 1.081 535 T CA -0.469 61.480 62.100 -0.252 0.000 1.040 535 T CB -0.336 68.415 68.868 -0.196 0.000 0.962 535 T HN 0.170 nan 8.240 nan 0.000 0.506 536 L N 1.664 122.757 121.223 -0.217 0.000 2.517 536 L HA 0.065 4.404 4.340 -0.000 0.000 0.294 536 L C 2.122 178.861 176.870 -0.218 0.000 1.264 536 L CA -0.182 54.553 54.840 -0.176 0.000 0.839 536 L CB 0.417 42.389 42.059 -0.144 0.000 1.098 536 L HN 0.172 nan 8.230 nan 0.000 0.525 537 R N 0.806 121.198 120.500 -0.180 0.000 2.090 537 R HA -0.125 4.215 4.340 -0.000 0.000 0.228 537 R C 1.311 177.363 176.300 -0.412 0.000 1.110 537 R CA 1.176 57.137 56.100 -0.232 0.000 0.973 537 R CB -0.211 30.025 30.300 -0.106 0.000 0.869 537 R HN 0.656 nan 8.270 nan 0.000 0.440 538 D N 0.582 120.823 120.400 -0.266 0.000 2.221 538 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 538 D C 0.054 176.157 176.300 -0.329 0.000 0.982 538 D CA 0.998 54.861 54.000 -0.228 0.000 0.857 538 D CB -0.061 40.699 40.800 -0.068 0.000 0.934 538 D HN 0.035 nan 8.370 nan 0.000 0.475 539 T N 0.866 115.205 114.554 -0.358 0.000 2.738 539 T HA 0.219 4.569 4.350 -0.000 0.000 0.293 539 T C -0.107 174.361 174.700 -0.387 0.000 0.913 539 T CA 0.051 62.000 62.100 -0.252 0.000 1.103 539 T CB -0.154 68.547 68.868 -0.279 0.000 0.880 539 T HN -0.116 nan 8.240 nan 0.000 0.526 540 F N 3.202 123.218 119.950 0.109 0.000 2.520 540 F HA 0.613 5.139 4.527 -0.000 0.000 0.322 540 F C 0.201 176.118 175.800 0.195 0.000 1.103 540 F CA -1.329 56.754 58.000 0.139 0.000 0.926 540 F CB 1.452 40.533 39.000 0.135 0.000 1.154 540 F HN 0.333 nan 8.300 nan 0.000 0.453 541 I N 1.763 122.590 120.570 0.429 0.000 2.603 541 I HA 0.432 4.601 4.170 -0.000 0.000 0.300 541 I C -0.580 175.695 176.117 0.263 0.000 1.017 541 I CA -0.796 60.697 61.300 0.323 0.000 1.098 541 I CB 1.937 40.096 38.000 0.265 0.000 1.279 541 I HN 0.612 nan 8.210 nan 0.000 0.437 542 E N 4.139 124.430 120.200 0.152 0.000 2.281 542 E HA 0.329 4.679 4.350 -0.000 0.000 0.257 542 E C 0.524 177.052 176.600 -0.120 0.000 0.971 542 E CA -0.842 55.608 56.400 0.084 0.000 0.839 542 E CB 1.400 31.172 29.700 0.120 0.000 1.238 542 E HN 0.401 nan 8.360 nan 0.000 0.412 543 L N 1.748 122.880 121.223 -0.151 0.000 2.017 543 L HA -0.329 4.011 4.340 -0.000 0.000 0.234 543 L C 1.912 178.663 176.870 -0.198 0.000 1.097 543 L CA 3.055 57.739 54.840 -0.260 0.000 0.816 543 L CB -1.087 40.934 42.059 -0.064 0.000 0.914 543 L HN 0.915 nan 8.230 nan 0.000 0.444 544 D N -1.639 118.715 120.400 -0.077 0.000 2.123 544 D HA -0.259 4.381 4.640 -0.000 0.000 0.196 544 D C 1.981 178.272 176.300 -0.015 0.000 0.992 544 D CA 1.741 55.720 54.000 -0.034 0.000 0.833 544 D CB -0.673 40.132 40.800 0.008 0.000 0.954 544 D HN 0.643 nan 8.370 nan 0.000 0.455 545 Q N 0.158 119.965 119.800 0.011 0.000 2.016 545 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 545 Q C 2.591 178.599 176.000 0.013 0.000 0.978 545 Q CA 1.154 57.012 55.803 0.091 0.000 0.833 545 Q CB -0.080 28.731 28.738 0.121 0.000 0.895 545 Q HN 0.177 nan 8.270 nan 0.000 0.427 546 V N 1.636 121.462 119.914 -0.147 0.000 2.250 546 V HA -0.348 3.772 4.120 -0.000 0.000 0.250 546 V C 2.327 178.237 176.094 -0.308 0.000 1.060 546 V CA 1.965 64.070 62.300 -0.325 0.000 1.030 546 V CB -0.756 30.571 31.823 -0.827 0.000 0.643 546 V HN 0.348 nan 8.190 nan 0.000 0.445 547 L N -0.180 120.870 121.223 -0.288 0.000 1.956 547 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 547 L C 2.500 179.218 176.870 -0.253 0.000 1.073 547 L CA 2.094 56.781 54.840 -0.256 0.000 0.762 547 L CB -1.142 40.816 42.059 -0.167 0.000 0.889 547 L HN 0.350 nan 8.230 nan 0.000 0.433 548 N N 0.014 118.610 118.700 -0.173 0.000 2.069 548 N HA -0.242 4.497 4.740 -0.000 0.000 0.196 548 N C 1.889 177.202 175.510 -0.328 0.000 1.024 548 N CA 1.944 54.854 53.050 -0.233 0.000 0.869 548 N CB -0.299 38.075 38.487 -0.188 0.000 1.035 548 N HN 0.368 nan 8.380 nan 0.000 0.434 549 M N 0.227 119.675 119.600 -0.254 0.000 2.065 549 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 549 M C 1.928 178.095 176.300 -0.221 0.000 1.069 549 M CA 1.206 56.400 55.300 -0.176 0.000 1.110 549 M CB -0.457 32.118 32.600 -0.040 0.000 1.328 549 M HN 0.071 nan 8.290 nan 0.000 0.405 550 L N -0.440 120.532 121.223 -0.419 0.000 1.963 550 L HA -0.278 4.062 4.340 -0.000 0.000 0.220 550 L C 2.541 179.020 176.870 -0.652 0.000 1.076 550 L CA 2.165 56.493 54.840 -0.853 0.000 0.772 550 L CB -2.098 39.031 42.059 -1.551 0.000 0.892 550 L HN 0.319 nan 8.230 nan 0.000 0.435 551 Y N -1.247 118.653 120.300 -0.666 0.000 2.298 551 Y HA -0.276 4.274 4.550 -0.000 0.000 0.287 551 Y C 2.410 178.145 175.900 -0.275 0.000 1.164 551 Y CA 0.712 58.573 58.100 -0.398 0.000 1.229 551 Y CB -0.687 37.564 38.460 -0.348 0.000 0.977 551 Y HN 0.133 nan 8.280 nan 0.000 0.538 552 W N -0.250 120.794 121.300 -0.427 0.000 2.358 552 W HA -0.089 4.571 4.660 -0.001 0.000 0.303 552 W C 0.663 177.020 176.519 -0.270 0.000 1.208 552 W CA 1.071 58.160 57.345 -0.428 0.000 1.274 552 W CB -0.219 28.963 29.460 -0.464 0.000 1.138 552 W HN -0.376 nan 8.180 nan 0.000 0.515 553 V N 3.812 123.785 119.914 0.098 0.000 2.446 553 V HA 0.040 4.160 4.120 -0.000 0.000 0.276 553 V C -1.634 174.550 176.094 0.150 0.000 1.030 553 V CA -1.426 60.945 62.300 0.118 0.000 1.033 553 V CB -0.067 31.825 31.823 0.114 0.000 0.993 553 V HN -0.161 nan 8.190 nan 0.000 0.477 554 P HA 0.259 nan 4.420 nan 0.000 0.275 554 P C -0.443 176.951 177.300 0.156 0.000 1.227 554 P CA -0.014 63.159 63.100 0.123 0.000 0.781 554 P CB 0.606 32.355 31.700 0.082 0.000 0.906 555 D N -0.982 119.518 120.400 0.167 0.000 2.746 555 D HA -0.182 4.458 4.640 -0.000 0.000 0.236 555 D C -0.782 175.631 176.300 0.188 0.000 1.129 555 D CA 0.880 54.963 54.000 0.138 0.000 0.691 555 D CB -2.222 38.631 40.800 0.088 0.000 1.077 555 D HN 0.526 nan 8.370 nan 0.000 0.432 556 W N 2.515 123.853 121.300 0.064 0.000 2.358 556 W HA 0.341 5.001 4.660 -0.000 0.000 0.307 556 W C 1.164 177.715 176.519 0.053 0.000 1.203 556 W CA -0.550 56.834 57.345 0.064 0.000 1.279 556 W CB 0.576 30.088 29.460 0.088 0.000 1.264 556 W HN 0.063 nan 8.180 nan 0.000 0.474 557 D N 3.528 123.647 120.400 -0.469 0.000 2.292 557 D HA -0.217 4.423 4.640 -0.000 0.000 0.205 557 D C 1.550 177.403 176.300 -0.746 0.000 0.994 557 D CA 1.811 55.520 54.000 -0.485 0.000 0.897 557 D CB -0.746 39.874 40.800 -0.300 0.000 0.907 557 D HN 1.007 nan 8.370 nan 0.000 0.467 558 G N -1.245 106.580 108.800 -1.626 0.000 2.142 558 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.225 558 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.225 558 G C -0.189 174.099 174.900 -1.021 0.000 1.015 558 G CA 0.064 44.239 45.100 -1.541 0.000 0.716 558 G HN 0.508 nan 8.290 nan 0.000 0.508 559 V N 2.527 121.862 119.914 -0.966 0.000 2.409 559 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 559 V C 0.428 176.677 176.094 0.258 0.000 1.017 559 V CA -1.175 61.002 62.300 -0.204 0.000 0.841 559 V CB 1.486 33.212 31.823 -0.162 0.000 1.003 559 V HN 0.297 nan 8.190 nan 0.000 0.426 560 I N 6.978 127.770 120.570 0.370 0.000 2.452 560 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 560 I C -2.056 174.272 176.117 0.351 0.000 1.079 560 I CA -2.079 59.498 61.300 0.461 0.000 1.387 560 I CB 0.483 38.721 38.000 0.396 0.000 1.404 560 I HN 0.389 nan 8.210 nan 0.000 0.522 561 P HA 0.123 nan 4.420 nan 0.000 0.271 561 P C -0.275 177.135 177.300 0.183 0.000 1.226 561 P CA -0.155 63.105 63.100 0.267 0.000 0.765 561 P CB 0.172 32.047 31.700 0.292 0.000 0.835 562 T N 5.516 120.095 114.554 0.042 0.000 2.891 562 T HA 0.109 4.458 4.350 -0.000 0.000 0.296 562 T C -2.075 172.429 174.700 -0.327 0.000 1.025 562 T CA -0.747 61.295 62.100 -0.096 0.000 1.149 562 T CB -0.749 68.078 68.868 -0.068 0.000 1.007 562 T HN 0.316 nan 8.240 nan 0.000 0.528 563 P HA 0.380 nan 4.420 nan 0.000 0.287 563 P C 0.748 177.680 177.300 -0.613 0.000 1.294 563 P CA -0.545 61.817 63.100 -1.230 0.000 0.776 563 P CB 0.950 31.374 31.700 -2.127 0.000 0.889 564 A N 5.219 127.794 122.820 -0.408 0.000 1.923 564 A HA -0.215 4.105 4.320 -0.000 0.000 0.222 564 A C 1.101 178.579 177.584 -0.176 0.000 1.258 564 A CA 1.436 53.368 52.037 -0.176 0.000 0.670 564 A CB -1.304 17.682 19.000 -0.023 0.000 0.834 564 A HN 0.600 nan 8.150 nan 0.000 0.470 565 I N -0.891 119.540 120.570 -0.230 0.000 2.353 565 I HA 0.388 4.558 4.170 -0.000 0.000 0.293 565 I C 0.468 176.442 176.117 -0.239 0.000 0.992 565 I CA 0.008 61.178 61.300 -0.217 0.000 1.268 565 I CB 1.629 39.463 38.000 -0.276 0.000 1.387 565 I HN 0.382 nan 8.210 nan 0.000 0.478 566 I N 7.018 127.487 120.570 -0.168 0.000 3.994 566 I HA 0.098 4.268 4.170 -0.000 0.000 0.323 566 I C 0.742 176.811 176.117 -0.081 0.000 1.501 566 I CA -0.335 60.884 61.300 -0.134 0.000 1.112 566 I CB -0.214 37.709 38.000 -0.129 0.000 1.254 566 I HN 0.542 nan 8.210 nan 0.000 0.495 567 K N 0.725 121.075 120.400 -0.082 0.000 2.679 567 K HA 0.371 4.691 4.320 -0.000 0.000 0.280 567 K C -1.506 175.070 176.600 -0.039 0.000 1.040 567 K CA -0.520 55.732 56.287 -0.057 0.000 1.002 567 K CB -1.222 31.239 32.500 -0.064 0.000 1.276 567 K HN -0.256 nan 8.250 nan 0.000 0.492 568 P HA -0.224 nan 4.420 nan 0.000 0.221 568 P C -0.871 176.424 177.300 -0.009 0.000 1.145 568 P CA 1.658 64.749 63.100 -0.015 0.000 0.812 568 P CB 0.010 31.701 31.700 -0.016 0.000 0.755 569 K N -1.802 118.587 120.400 -0.018 0.000 2.592 569 K HA 0.266 4.586 4.320 -0.000 0.000 0.265 569 K C -3.071 173.532 176.600 0.006 0.000 1.006 569 K CA -1.779 54.511 56.287 0.005 0.000 0.907 569 K CB 1.443 33.946 32.500 0.006 0.000 1.309 569 K HN -0.316 nan 8.250 nan 0.000 0.452 570 P HA 0.051 nan 4.420 nan 0.000 0.260 570 P C -1.262 176.204 177.300 0.277 0.000 1.207 570 P CA -0.156 62.999 63.100 0.091 0.000 0.780 570 P CB 0.401 32.207 31.700 0.177 0.000 0.789 571 L N 4.156 125.451 121.223 0.119 0.000 2.371 571 L HA 0.574 4.914 4.340 -0.000 0.000 0.262 571 L C -0.859 176.196 176.870 0.308 0.000 1.006 571 L CA -0.654 54.382 54.840 0.326 0.000 0.818 571 L CB 1.557 43.580 42.059 -0.059 0.000 1.354 571 L HN 0.401 nan 8.230 nan 0.000 0.415 572 W N 0.847 122.208 121.300 0.102 0.000 2.627 572 W HA 0.526 5.187 4.660 0.000 0.000 0.339 572 W C 0.236 176.958 176.519 0.337 0.000 1.058 572 W CA -0.766 56.676 57.345 0.161 0.000 1.223 572 W CB 2.207 31.742 29.460 0.124 0.000 1.389 572 W HN 0.417 nan 8.180 nan 0.000 0.541 573 S N 0.689 116.682 115.700 0.489 0.000 2.617 573 S HA 0.316 4.786 4.470 -0.000 0.000 0.269 573 S C 1.189 175.887 174.600 0.163 0.000 1.292 573 S CA 0.425 58.825 58.200 0.334 0.000 1.010 573 S CB 1.213 64.513 63.200 0.166 0.000 0.944 573 S HN 0.635 nan 8.310 nan 0.000 0.536 574 G N 2.845 111.623 108.800 -0.037 0.000 2.480 574 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 574 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 574 G C 1.303 176.146 174.900 -0.093 0.000 1.200 574 G CA 0.983 45.992 45.100 -0.153 0.000 0.782 574 G HN 0.837 nan 8.290 nan 0.000 0.554 575 K N -0.114 120.228 120.400 -0.097 0.000 2.071 575 K HA -0.274 4.046 4.320 -0.000 0.000 0.217 575 K C 2.466 179.070 176.600 0.006 0.000 1.054 575 K CA 1.585 57.837 56.287 -0.058 0.000 0.937 575 K CB -0.508 31.964 32.500 -0.047 0.000 0.719 575 K HN 0.214 nan 8.250 nan 0.000 0.454 576 Q N 0.412 120.250 119.800 0.063 0.000 2.165 576 Q HA -0.247 4.093 4.340 -0.000 0.000 0.215 576 Q C 2.316 178.406 176.000 0.150 0.000 1.010 576 Q CA 2.484 58.362 55.803 0.126 0.000 0.896 576 Q CB -0.343 28.524 28.738 0.216 0.000 0.956 576 Q HN 0.630 nan 8.270 nan 0.000 0.413 577 I N -2.592 118.061 120.570 0.137 0.000 2.810 577 I HA -0.061 4.109 4.170 -0.000 0.000 0.262 577 I C 2.042 178.194 176.117 0.059 0.000 1.131 577 I CA 0.620 61.997 61.300 0.128 0.000 1.453 577 I CB -0.555 37.505 38.000 0.101 0.000 1.161 577 I HN 0.084 nan 8.210 nan 0.000 0.444 578 L N 1.553 122.781 121.223 0.008 0.000 2.189 578 L HA -0.124 4.216 4.340 -0.000 0.000 0.214 578 L C 2.206 179.076 176.870 0.000 0.000 1.097 578 L CA 2.100 56.929 54.840 -0.019 0.000 0.764 578 L CB -1.217 40.802 42.059 -0.066 0.000 0.900 578 L HN 0.395 nan 8.230 nan 0.000 0.436 579 S N -1.193 114.517 115.700 0.018 0.000 2.440 579 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 579 S C 1.921 176.552 174.600 0.052 0.000 1.010 579 S CA 1.208 59.422 58.200 0.023 0.000 0.972 579 S CB -0.614 62.607 63.200 0.035 0.000 0.774 579 S HN 0.384 nan 8.310 nan 0.000 0.501 580 V N 1.495 121.462 119.914 0.088 0.000 2.970 580 V HA -0.050 4.070 4.120 -0.000 0.000 0.260 580 V C 2.474 178.635 176.094 0.111 0.000 1.100 580 V CA 1.248 63.633 62.300 0.142 0.000 1.122 580 V CB -0.919 31.034 31.823 0.216 0.000 0.721 580 V HN 0.568 nan 8.190 nan 0.000 0.483 581 A N -0.332 122.522 122.820 0.057 0.000 1.968 581 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 581 A C 1.172 178.764 177.584 0.013 0.000 1.169 581 A CA 0.650 52.705 52.037 0.031 0.000 0.638 581 A CB -0.265 18.733 19.000 -0.004 0.000 0.812 581 A HN 0.481 nan 8.150 nan 0.000 0.446 582 I N 1.649 122.220 120.570 0.002 0.000 2.337 582 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 582 I C -2.223 173.886 176.117 -0.013 0.000 1.046 582 I CA -2.113 59.174 61.300 -0.022 0.000 1.324 582 I CB 1.293 39.269 38.000 -0.040 0.000 1.409 582 I HN 0.082 nan 8.210 nan 0.000 0.494 583 P HA 0.085 nan 4.420 nan 0.000 0.271 583 P C -1.034 176.243 177.300 -0.039 0.000 1.244 583 P CA -0.337 62.753 63.100 -0.017 0.000 0.793 583 P CB 0.441 32.131 31.700 -0.016 0.000 0.984 584 N N -0.350 118.329 118.700 -0.034 0.000 2.508 584 N HA 0.432 5.172 4.740 -0.000 0.000 0.285 584 N C 0.872 176.338 175.510 -0.072 0.000 1.144 584 N CA 0.403 53.421 53.050 -0.053 0.000 0.978 584 N CB -0.058 38.410 38.487 -0.032 0.000 1.180 584 N HN 0.701 nan 8.380 nan 0.000 0.484 585 G N 0.250 108.979 108.800 -0.118 0.000 2.221 585 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.265 585 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.265 585 G C -0.485 174.296 174.900 -0.197 0.000 1.041 585 G CA -0.257 44.773 45.100 -0.117 0.000 0.807 585 G HN 0.426 nan 8.290 nan 0.000 0.502 586 I N 1.611 121.977 120.570 -0.342 0.000 2.339 586 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 586 I C 0.140 175.996 176.117 -0.436 0.000 0.994 586 I CA -0.718 60.430 61.300 -0.253 0.000 1.191 586 I CB 1.088 39.004 38.000 -0.140 0.000 1.343 586 I HN 0.144 nan 8.210 nan 0.000 0.458 587 H N 6.656 125.729 119.070 0.005 0.000 2.572 587 H HA 0.645 5.201 4.556 -0.000 0.000 0.359 587 H C -1.083 174.244 175.328 -0.000 0.000 1.134 587 H CA -0.766 55.287 56.048 0.009 0.000 1.187 587 H CB 3.293 33.070 29.762 0.024 0.000 1.597 587 H HN 0.408 nan 8.280 nan 0.000 0.524 588 L N 2.070 123.358 121.223 0.108 0.000 2.565 588 L HA 0.292 4.632 4.340 -0.000 0.000 0.261 588 L C -1.376 175.497 176.870 0.005 0.000 0.932 588 L CA -0.231 54.630 54.840 0.035 0.000 0.878 588 L CB 2.541 44.589 42.059 -0.019 0.000 1.333 588 L HN 0.621 nan 8.230 nan 0.000 0.409 589 Q N 3.290 123.090 119.800 -0.000 0.000 2.423 589 Q HA 0.584 4.924 4.340 -0.000 0.000 0.278 589 Q C -0.626 175.335 176.000 -0.065 0.000 1.097 589 Q CA -0.492 55.285 55.803 -0.043 0.000 0.809 589 Q CB 2.566 31.332 28.738 0.048 0.000 1.391 589 Q HN 0.758 nan 8.270 nan 0.000 0.428 590 R N 1.458 121.847 120.500 -0.184 0.000 4.019 590 R HA 0.325 4.665 4.340 -0.000 0.000 0.140 590 R C -0.865 175.467 176.300 0.052 0.000 1.486 590 R CA 0.119 56.159 56.100 -0.100 0.000 1.119 590 R CB 0.651 30.863 30.300 -0.147 0.000 1.357 590 R HN 0.705 nan 8.270 nan 0.000 0.449 591 F N 2.632 122.602 119.950 0.033 0.000 2.160 591 F HA -0.266 4.261 4.527 -0.000 0.000 0.416 591 F C 0.274 176.089 175.800 0.025 0.000 1.174 591 F CA 0.231 58.264 58.000 0.054 0.000 1.373 591 F CB -0.555 38.483 39.000 0.064 0.000 2.115 591 F HN 0.366 nan 8.300 nan 0.000 0.747 592 D N 1.962 122.457 120.400 0.158 0.000 1.992 592 D HA -0.007 4.633 4.640 -0.000 0.000 0.304 592 D C 1.646 178.011 176.300 0.108 0.000 1.099 592 D CA 0.642 54.699 54.000 0.094 0.000 0.846 592 D CB 0.055 40.883 40.800 0.047 0.000 1.011 592 D HN 0.563 nan 8.370 nan 0.000 0.336 593 E N -0.097 120.152 120.200 0.083 0.000 2.033 593 E HA 0.171 4.521 4.350 -0.000 0.000 0.194 593 E C 0.663 177.309 176.600 0.077 0.000 0.960 593 E CA 0.482 56.923 56.400 0.068 0.000 0.842 593 E CB -0.481 29.244 29.700 0.042 0.000 0.816 593 E HN 0.277 nan 8.360 nan 0.000 0.468 594 G N 0.522 109.369 108.800 0.078 0.000 2.922 594 G HA2 0.399 4.359 3.960 -0.000 0.000 0.335 594 G HA3 0.399 4.359 3.960 -0.000 0.000 0.335 594 G C -1.005 173.966 174.900 0.119 0.000 1.016 594 G CA -0.319 44.826 45.100 0.074 0.000 1.306 594 G HN 0.055 nan 8.290 nan 0.000 0.465 595 T N 0.545 115.201 114.554 0.171 0.000 2.892 595 T HA 0.383 4.733 4.350 -0.000 0.000 0.311 595 T C 0.707 175.593 174.700 0.309 0.000 1.033 595 T CA -0.578 61.705 62.100 0.306 0.000 0.991 595 T CB 1.293 70.453 68.868 0.486 0.000 0.981 595 T HN 0.399 nan 8.240 nan 0.000 0.457 596 T N 0.325 114.995 114.554 0.194 0.000 3.331 596 T HA 0.359 4.709 4.350 -0.000 0.000 0.282 596 T C 0.932 175.655 174.700 0.037 0.000 1.010 596 T CA -0.591 61.564 62.100 0.092 0.000 0.928 596 T CB -0.802 68.084 68.868 0.030 0.000 1.154 596 T HN 0.553 nan 8.240 nan 0.000 0.516 597 L N -0.911 120.353 121.223 0.068 0.000 4.625 597 L HA -0.238 4.102 4.340 -0.000 0.000 0.428 597 L C 0.929 177.512 176.870 -0.477 0.000 1.129 597 L CA 0.897 55.613 54.840 -0.206 0.000 0.978 597 L CB -1.872 40.171 42.059 -0.026 0.000 2.043 597 L HN 0.462 nan 8.230 nan 0.000 0.847 598 L N -2.052 118.933 121.223 -0.397 0.000 2.658 598 L HA 0.206 4.546 4.340 -0.000 0.000 0.222 598 L C 0.673 177.438 176.870 -0.175 0.000 1.033 598 L CA 0.677 55.330 54.840 -0.311 0.000 0.949 598 L CB 0.506 42.486 42.059 -0.132 0.000 1.698 598 L HN 0.419 nan 8.230 nan 0.000 0.498 599 S N 0.085 115.767 115.700 -0.029 0.000 3.385 599 S HA -0.090 4.380 4.470 -0.000 0.000 0.613 599 S C -1.728 172.918 174.600 0.077 0.000 0.653 599 S CA -0.148 58.120 58.200 0.112 0.000 1.401 599 S CB -1.647 61.741 63.200 0.313 0.000 1.031 599 S HN 0.113 nan 8.310 nan 0.000 0.883 600 P HA -0.197 nan 4.420 nan 0.000 0.212 600 P C 0.723 178.051 177.300 0.046 0.000 1.128 600 P CA 1.860 64.986 63.100 0.042 0.000 0.961 600 P CB 0.065 31.789 31.700 0.040 0.000 0.782 601 K N -0.218 120.213 120.400 0.051 0.000 2.526 601 K HA 0.091 4.411 4.320 -0.000 0.000 0.214 601 K C -0.571 176.060 176.600 0.052 0.000 1.088 601 K CA -0.239 56.073 56.287 0.042 0.000 1.058 601 K CB -0.616 31.902 32.500 0.030 0.000 1.653 601 K HN -0.085 nan 8.250 nan 0.000 0.521 602 D N 1.686 122.134 120.400 0.080 0.000 2.706 602 D HA -0.209 4.430 4.640 -0.000 0.000 0.230 602 D C -0.865 175.473 176.300 0.063 0.000 1.184 602 D CA 1.053 55.112 54.000 0.099 0.000 0.628 602 D CB -0.748 40.072 40.800 0.034 0.000 1.019 602 D HN 0.552 nan 8.370 nan 0.000 0.415 603 N N 0.202 118.968 118.700 0.110 0.000 2.444 603 N HA 0.556 5.296 4.740 -0.000 0.000 0.255 603 N C 1.391 176.920 175.510 0.032 0.000 1.255 603 N CA 0.374 53.468 53.050 0.073 0.000 0.933 603 N CB 0.588 39.139 38.487 0.107 0.000 1.143 603 N HN 0.353 nan 8.380 nan 0.000 0.453 604 G N -0.773 107.999 108.800 -0.047 0.000 2.525 604 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.248 604 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.248 604 G C -0.649 174.025 174.900 -0.376 0.000 1.238 604 G CA 0.405 45.403 45.100 -0.170 0.000 0.926 604 G HN 0.899 nan 8.290 nan 0.000 0.574 605 M N -1.542 117.691 119.600 -0.611 0.000 2.447 605 M HA 0.669 5.148 4.480 -0.000 0.000 0.292 605 M C -2.369 173.543 176.300 -0.646 0.000 1.083 605 M CA -0.571 54.348 55.300 -0.635 0.000 0.907 605 M CB 1.628 34.024 32.600 -0.339 0.000 1.829 605 M HN 1.939 nan 8.290 nan 0.000 0.518 606 L N 5.895 126.759 121.223 -0.598 0.000 2.439 606 L HA 0.794 5.134 4.340 -0.000 0.000 0.270 606 L C -2.075 174.719 176.870 -0.127 0.000 0.972 606 L CA -0.285 54.398 54.840 -0.260 0.000 0.836 606 L CB 1.810 43.855 42.059 -0.025 0.000 1.255 606 L HN 0.801 nan 8.230 nan 0.000 0.404 607 I N 6.260 126.791 120.570 -0.065 0.000 2.382 607 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 607 I C -0.711 175.422 176.117 0.027 0.000 1.002 607 I CA -0.530 60.749 61.300 -0.034 0.000 1.135 607 I CB 1.662 39.624 38.000 -0.063 0.000 1.288 607 I HN 0.432 nan 8.210 nan 0.000 0.448 608 I N 5.828 126.420 120.570 0.036 0.000 2.354 608 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 608 I C 0.762 176.844 176.117 -0.058 0.000 0.989 608 I CA 0.471 61.822 61.300 0.084 0.000 1.188 608 I CB 1.276 39.352 38.000 0.126 0.000 1.342 608 I HN 0.720 nan 8.210 nan 0.000 0.457 609 D N 5.782 126.018 120.400 -0.273 0.000 4.435 609 D HA -0.268 4.372 4.640 -0.000 0.000 0.235 609 D C 1.222 177.398 176.300 -0.206 0.000 0.580 609 D CA 2.472 56.296 54.000 -0.293 0.000 1.063 609 D CB -0.942 39.827 40.800 -0.053 0.000 0.562 609 D HN 0.783 nan 8.370 nan 0.000 0.392 610 G N -0.254 108.492 108.800 -0.089 0.000 3.695 610 G HA2 0.319 4.278 3.960 -0.000 0.000 0.277 610 G HA3 0.319 4.278 3.960 -0.000 0.000 0.277 610 G C -0.104 174.782 174.900 -0.023 0.000 1.001 610 G CA -0.032 45.036 45.100 -0.054 0.000 0.837 610 G HN 0.281 nan 8.290 nan 0.000 0.492 611 Q N 0.254 120.041 119.800 -0.022 0.000 2.433 611 Q HA 0.462 4.802 4.340 -0.000 0.000 0.279 611 Q C -0.807 175.185 176.000 -0.013 0.000 1.105 611 Q CA -0.829 54.974 55.803 -0.001 0.000 0.815 611 Q CB 2.848 31.598 28.738 0.021 0.000 1.403 611 Q HN 0.403 nan 8.270 nan 0.000 0.435 612 I N -0.704 119.858 120.570 -0.014 0.000 2.353 612 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 612 I C 0.101 176.219 176.117 0.002 0.000 0.992 612 I CA -0.538 60.743 61.300 -0.032 0.000 1.268 612 I CB 0.659 38.619 38.000 -0.066 0.000 1.387 612 I HN 0.458 nan 8.210 nan 0.000 0.478 613 I N 5.957 126.540 120.570 0.022 0.000 2.556 613 I HA 0.262 4.432 4.170 -0.000 0.000 0.251 613 I C 0.509 176.750 176.117 0.207 0.000 1.105 613 I CA 1.012 62.380 61.300 0.112 0.000 1.436 613 I CB -0.933 37.163 38.000 0.160 0.000 1.139 613 I HN 0.789 nan 8.210 nan 0.000 0.438 614 F N -0.208 119.714 119.950 -0.046 0.000 2.693 614 F HA 0.717 5.244 4.527 -0.000 0.000 0.309 614 F C -0.371 175.385 175.800 -0.072 0.000 1.129 614 F CA -0.504 57.465 58.000 -0.052 0.000 0.948 614 F CB 1.197 40.172 39.000 -0.041 0.000 1.315 614 F HN 0.182 nan 8.300 nan 0.000 0.447 615 G N 0.717 109.338 108.800 -0.298 0.000 2.515 615 G HA2 0.302 4.262 3.960 -0.000 0.000 0.686 615 G HA3 0.302 4.262 3.960 -0.000 0.000 0.686 615 G C -2.375 172.395 174.900 -0.217 0.000 1.274 615 G CA -0.603 44.259 45.100 -0.396 0.000 0.874 615 G HN 1.243 nan 8.290 nan 0.000 0.631 616 V N 0.872 120.680 119.914 -0.178 0.000 2.370 616 V HA 0.511 4.631 4.120 -0.000 0.000 0.283 616 V C 0.950 176.956 176.094 -0.147 0.000 1.023 616 V CA -0.733 61.481 62.300 -0.143 0.000 0.857 616 V CB 1.409 33.167 31.823 -0.109 0.000 0.985 616 V HN 0.852 nan 8.190 nan 0.000 0.443 617 V N 6.079 125.906 119.914 -0.146 0.000 2.637 617 V HA 0.464 4.584 4.120 -0.000 0.000 0.296 617 V C 0.222 176.248 176.094 -0.113 0.000 1.046 617 V CA 0.286 62.506 62.300 -0.132 0.000 1.066 617 V CB 0.971 32.716 31.823 -0.130 0.000 0.968 617 V HN 1.189 nan 8.190 nan 0.000 0.483 618 E N 2.849 122.991 120.200 -0.096 0.000 2.164 618 E HA 0.306 4.656 4.350 -0.000 0.000 0.240 618 E C 0.526 177.089 176.600 -0.062 0.000 1.335 618 E CA -0.724 55.630 56.400 -0.077 0.000 0.935 618 E CB 0.202 29.860 29.700 -0.071 0.000 1.711 618 E HN 0.088 nan 8.360 nan 0.000 0.510 619 K N 0.732 121.106 120.400 -0.045 0.000 2.066 619 K HA -0.269 4.051 4.320 -0.000 0.000 0.221 619 K C 1.587 178.168 176.600 -0.032 0.000 1.056 619 K CA 2.795 59.064 56.287 -0.030 0.000 0.950 619 K CB -0.351 32.138 32.500 -0.019 0.000 0.726 619 K HN 0.435 nan 8.250 nan 0.000 0.456 620 K N -0.870 119.509 120.400 -0.035 0.000 2.160 620 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 620 K C 2.005 178.581 176.600 -0.040 0.000 1.047 620 K CA 1.963 58.230 56.287 -0.032 0.000 0.930 620 K CB -0.129 32.349 32.500 -0.036 0.000 0.720 620 K HN 0.418 nan 8.250 nan 0.000 0.450 621 T N -0.313 114.207 114.554 -0.056 0.000 2.818 621 T HA -0.043 4.306 4.350 -0.000 0.000 0.246 621 T C 1.859 176.521 174.700 -0.063 0.000 1.036 621 T CA 0.675 62.735 62.100 -0.066 0.000 1.160 621 T CB -0.235 68.578 68.868 -0.092 0.000 0.869 621 T HN 0.008 nan 8.240 nan 0.000 0.419 622 V N 1.299 121.172 119.914 -0.070 0.000 3.174 622 V HA 0.390 4.510 4.120 -0.000 0.000 0.254 622 V C 1.218 177.278 176.094 -0.056 0.000 1.120 622 V CA 0.578 62.829 62.300 -0.082 0.000 1.114 622 V CB -0.643 31.125 31.823 -0.092 0.000 0.756 622 V HN 0.528 nan 8.190 nan 0.000 0.467 623 G N 0.683 109.463 108.800 -0.032 0.000 2.483 623 G HA2 0.287 4.247 3.960 -0.000 0.000 0.248 623 G HA3 0.287 4.247 3.960 -0.000 0.000 0.248 623 G C 0.247 175.145 174.900 -0.003 0.000 1.248 623 G CA 0.423 45.520 45.100 -0.005 0.000 0.838 623 G HN 0.685 nan 8.290 nan 0.000 0.566 624 S N 1.087 116.797 115.700 0.016 0.000 2.560 624 S HA 0.387 4.857 4.470 -0.000 0.000 0.323 624 S C 0.507 175.098 174.600 -0.015 0.000 1.191 624 S CA -0.295 57.910 58.200 0.008 0.000 1.231 624 S CB 0.035 63.247 63.200 0.021 0.000 1.224 624 S HN 0.485 nan 8.310 nan 0.000 0.545 625 S N 2.402 118.086 115.700 -0.027 0.000 2.841 625 S HA 0.467 4.937 4.470 -0.000 0.000 0.318 625 S C 0.876 175.438 174.600 -0.065 0.000 1.127 625 S CA -0.894 57.289 58.200 -0.029 0.000 0.883 625 S CB 1.225 64.416 63.200 -0.016 0.000 1.271 625 S HN 0.658 nan 8.310 nan 0.000 0.567 626 N N 0.729 119.398 118.700 -0.052 0.000 2.368 626 N HA 0.105 4.845 4.740 -0.000 0.000 0.178 626 N C 1.492 177.023 175.510 0.035 0.000 1.021 626 N CA 1.182 54.169 53.050 -0.104 0.000 0.875 626 N CB -0.466 38.003 38.487 -0.030 0.000 1.020 626 N HN 0.656 nan 8.380 nan 0.000 0.433 627 G N -0.684 108.161 108.800 0.074 0.000 2.939 627 G HA2 0.205 4.165 3.960 -0.000 0.000 0.210 627 G HA3 0.205 4.165 3.960 -0.000 0.000 0.210 627 G C 0.678 175.633 174.900 0.093 0.000 1.160 627 G CA 0.191 45.363 45.100 0.120 0.000 0.770 627 G HN 0.407 nan 8.290 nan 0.000 0.543 628 G N -0.186 108.651 108.800 0.061 0.000 2.684 628 G HA2 0.259 4.219 3.960 -0.000 0.000 0.255 628 G HA3 0.259 4.219 3.960 -0.000 0.000 0.255 628 G C 1.051 175.966 174.900 0.026 0.000 1.219 628 G CA -0.338 44.774 45.100 0.021 0.000 0.901 628 G HN 0.233 nan 8.290 nan 0.000 0.548 629 L N 0.223 121.430 121.223 -0.026 0.000 2.079 629 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 629 L C 2.447 179.290 176.870 -0.045 0.000 1.081 629 L CA 1.510 56.321 54.840 -0.047 0.000 0.752 629 L CB -0.210 41.797 42.059 -0.087 0.000 0.896 629 L HN 0.546 nan 8.230 nan 0.000 0.433 630 I N -1.750 118.788 120.570 -0.054 0.000 2.676 630 I HA -0.220 3.950 4.170 -0.000 0.000 0.259 630 I C 2.416 178.567 176.117 0.057 0.000 1.194 630 I CA 1.326 62.587 61.300 -0.064 0.000 1.473 630 I CB -1.319 36.609 38.000 -0.120 0.000 1.096 630 I HN 0.311 nan 8.210 nan 0.000 0.443 631 H N 0.840 119.891 119.070 -0.032 0.000 2.333 631 H HA -0.044 4.512 4.556 -0.000 0.000 0.302 631 H C 2.230 177.553 175.328 -0.008 0.000 1.075 631 H CA 1.392 57.433 56.048 -0.012 0.000 1.348 631 H CB 0.482 30.243 29.762 -0.001 0.000 1.393 631 H HN 0.156 nan 8.280 nan 0.000 0.509 632 V N 0.640 120.553 119.914 -0.001 0.000 2.295 632 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 632 V C 2.676 178.741 176.094 -0.047 0.000 1.049 632 V CA 1.457 63.722 62.300 -0.057 0.000 1.024 632 V CB -0.483 31.332 31.823 -0.014 0.000 0.648 632 V HN 0.275 nan 8.190 nan 0.000 0.447 633 V N 0.428 120.323 119.914 -0.032 0.000 2.515 633 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 633 V C 2.507 178.591 176.094 -0.017 0.000 1.058 633 V CA 2.382 64.664 62.300 -0.030 0.000 1.064 633 V CB -1.058 30.736 31.823 -0.048 0.000 0.675 633 V HN 0.689 nan 8.190 nan 0.000 0.461 634 T N -0.566 113.981 114.554 -0.012 0.000 2.732 634 T HA -0.098 4.252 4.350 -0.000 0.000 0.261 634 T C 2.070 176.759 174.700 -0.018 0.000 1.040 634 T CA 0.744 62.844 62.100 -0.000 0.000 1.145 634 T CB -0.233 68.650 68.868 0.025 0.000 0.866 634 T HN 0.235 nan 8.240 nan 0.000 0.427 635 R N 0.831 121.298 120.500 -0.055 0.000 2.189 635 R HA 0.067 4.407 4.340 -0.000 0.000 0.223 635 R C 2.253 178.544 176.300 -0.017 0.000 1.092 635 R CA 0.919 56.987 56.100 -0.053 0.000 0.989 635 R CB -0.235 29.996 30.300 -0.116 0.000 0.876 635 R HN 0.467 nan 8.270 nan 0.000 0.457 636 E N 0.511 120.704 120.200 -0.013 0.000 2.021 636 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 636 E C 1.743 178.358 176.600 0.025 0.000 0.971 636 E CA 1.058 57.468 56.400 0.015 0.000 0.825 636 E CB 0.208 29.918 29.700 0.018 0.000 0.788 636 E HN -0.121 nan 8.360 nan 0.000 0.460 637 K N -0.801 119.608 120.400 0.016 0.000 2.078 637 K HA 0.271 4.591 4.320 -0.000 0.000 0.203 637 K C 0.767 177.380 176.600 0.021 0.000 1.043 637 K CA 1.098 57.396 56.287 0.019 0.000 0.960 637 K CB 0.405 32.911 32.500 0.010 0.000 0.761 637 K HN 0.264 nan 8.250 nan 0.000 0.448 638 G N -0.590 108.221 108.800 0.018 0.000 2.313 638 G HA2 0.163 4.123 3.960 -0.000 0.000 0.296 638 G HA3 0.163 4.123 3.960 -0.000 0.000 0.296 638 G C -2.720 172.193 174.900 0.023 0.000 1.356 638 G CA -0.755 44.358 45.100 0.021 0.000 0.833 638 G HN -0.240 nan 8.290 nan 0.000 0.552 639 P HA 0.009 nan 4.420 nan 0.000 0.214 639 P C 1.787 179.110 177.300 0.037 0.000 1.162 639 P CA 1.311 64.427 63.100 0.027 0.000 0.871 639 P CB 0.175 31.882 31.700 0.012 0.000 0.783 640 Q N -0.058 119.758 119.800 0.028 0.000 2.062 640 Q HA -0.131 4.209 4.340 -0.000 0.000 0.209 640 Q C 2.271 178.296 176.000 0.041 0.000 0.996 640 Q CA 1.405 57.226 55.803 0.030 0.000 0.859 640 Q CB -1.896 26.856 28.738 0.022 0.000 0.920 640 Q HN 0.119 nan 8.270 nan 0.000 0.415 641 V N 0.952 120.887 119.914 0.035 0.000 2.282 641 V HA -0.305 3.814 4.120 -0.000 0.000 0.249 641 V C 2.626 178.745 176.094 0.043 0.000 1.057 641 V CA 1.894 64.215 62.300 0.034 0.000 1.032 641 V CB -0.876 30.960 31.823 0.022 0.000 0.645 641 V HN 0.557 nan 8.190 nan 0.000 0.447 642 C N 0.234 119.564 119.300 0.049 0.000 2.429 642 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 642 C C 3.066 178.156 174.990 0.167 0.000 1.262 642 C CA 0.843 59.899 59.018 0.063 0.000 1.733 642 C CB -1.257 26.523 27.740 0.066 0.000 2.010 642 C HN 0.590 nan 8.230 nan 0.000 0.483 643 A N 0.045 122.967 122.820 0.169 0.000 1.933 643 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 643 A C 2.304 179.993 177.584 0.175 0.000 1.175 643 A CA 1.975 54.130 52.037 0.197 0.000 0.628 643 A CB -0.740 18.308 19.000 0.080 0.000 0.814 643 A HN 0.766 nan 8.150 nan 0.000 0.444 644 K N -0.401 120.067 120.400 0.113 0.000 2.097 644 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 644 K C 1.922 178.584 176.600 0.102 0.000 1.050 644 K CA 1.440 57.783 56.287 0.095 0.000 0.938 644 K CB -0.314 32.225 32.500 0.065 0.000 0.718 644 K HN 0.414 nan 8.250 nan 0.000 0.442 645 L N 0.459 121.731 121.223 0.083 0.000 2.079 645 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 645 L C 1.767 178.645 176.870 0.013 0.000 1.081 645 L CA 1.617 56.467 54.840 0.016 0.000 0.752 645 L CB -0.654 41.370 42.059 -0.059 0.000 0.896 645 L HN 0.111 nan 8.230 nan 0.000 0.433 646 F N 0.717 120.672 119.950 0.007 0.000 2.025 646 F HA -0.174 4.353 4.527 0.000 0.000 0.297 646 F C 2.481 178.282 175.800 0.002 0.000 1.132 646 F CA 2.313 60.317 58.000 0.006 0.000 1.191 646 F CB -1.100 37.907 39.000 0.012 0.000 0.963 646 F HN 0.236 nan 8.300 nan 0.000 0.481 647 G N -0.562 108.382 108.800 0.241 0.000 2.433 647 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 647 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 647 G C 1.424 176.361 174.900 0.062 0.000 1.186 647 G CA 1.141 46.315 45.100 0.124 0.000 0.779 647 G HN 0.279 nan 8.290 nan 0.000 0.543 648 N N 1.115 119.853 118.700 0.063 0.000 2.089 648 N HA -0.192 4.548 4.740 -0.000 0.000 0.198 648 N C 2.092 177.603 175.510 0.002 0.000 1.017 648 N CA 1.648 54.721 53.050 0.039 0.000 0.880 648 N CB -0.479 38.038 38.487 0.049 0.000 1.042 648 N HN 0.502 nan 8.380 nan 0.000 0.446 649 I N 0.869 121.435 120.570 -0.007 0.000 2.058 649 I HA -0.333 3.837 4.170 -0.000 0.000 0.235 649 I C 2.382 178.477 176.117 -0.037 0.000 1.053 649 I CA 1.375 62.656 61.300 -0.033 0.000 1.313 649 I CB -0.645 37.322 38.000 -0.055 0.000 1.039 649 I HN 0.126 nan 8.210 nan 0.000 0.396 650 Q N 1.158 120.951 119.800 -0.012 0.000 1.978 650 Q HA -0.319 4.021 4.340 -0.000 0.000 0.211 650 Q C 2.270 178.193 176.000 -0.127 0.000 1.013 650 Q CA 2.358 58.141 55.803 -0.032 0.000 0.869 650 Q CB -0.332 28.411 28.738 0.009 0.000 0.953 650 Q HN 0.410 nan 8.270 nan 0.000 0.415 651 K N -0.242 120.054 120.400 -0.173 0.000 2.107 651 K HA -0.226 4.094 4.320 -0.000 0.000 0.211 651 K C 2.033 178.321 176.600 -0.520 0.000 1.049 651 K CA 1.898 57.939 56.287 -0.410 0.000 0.927 651 K CB -0.315 32.046 32.500 -0.232 0.000 0.714 651 K HN 0.067 nan 8.250 nan 0.000 0.452 652 V N 0.351 120.122 119.914 -0.238 0.000 2.323 652 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 652 V C 2.215 178.287 176.094 -0.037 0.000 1.041 652 V CA 1.412 63.625 62.300 -0.144 0.000 1.025 652 V CB -0.282 31.508 31.823 -0.054 0.000 0.656 652 V HN 0.081 nan 8.190 nan 0.000 0.451 653 V N 0.468 120.362 119.914 -0.033 0.000 2.237 653 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 653 V C 2.387 178.520 176.094 0.066 0.000 1.046 653 V CA 2.145 64.465 62.300 0.033 0.000 1.007 653 V CB -1.008 30.814 31.823 -0.002 0.000 0.638 653 V HN 0.512 nan 8.190 nan 0.000 0.445 654 N N -0.103 118.583 118.700 -0.024 0.000 2.064 654 N HA -0.275 4.465 4.740 -0.000 0.000 0.200 654 N C 1.703 177.192 175.510 -0.035 0.000 1.028 654 N CA 2.399 55.422 53.050 -0.046 0.000 0.880 654 N CB -0.632 37.773 38.487 -0.136 0.000 1.062 654 N HN 0.527 nan 8.380 nan 0.000 0.454 655 F N 0.251 120.036 119.950 -0.275 0.000 2.010 655 F HA -0.219 4.308 4.527 -0.000 0.000 0.296 655 F C 2.471 178.202 175.800 -0.114 0.000 1.146 655 F CA 1.990 59.824 58.000 -0.277 0.000 1.181 655 F CB -0.975 37.707 39.000 -0.530 0.000 0.965 655 F HN 0.212 nan 8.300 nan 0.000 0.480 656 W N 1.158 122.394 121.300 -0.106 0.000 2.290 656 W HA -0.356 4.304 4.660 -0.000 0.000 0.323 656 W C 2.328 178.751 176.519 -0.160 0.000 1.260 656 W CA 2.747 60.004 57.345 -0.147 0.000 1.266 656 W CB -1.022 28.419 29.460 -0.031 0.000 1.149 656 W HN 0.304 nan 8.180 nan 0.000 0.482 657 L N 0.943 122.221 121.223 0.092 0.000 1.971 657 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 657 L C 2.524 179.255 176.870 -0.231 0.000 1.072 657 L CA 2.671 57.470 54.840 -0.069 0.000 0.758 657 L CB -1.693 40.443 42.059 0.128 0.000 0.889 657 L HN 0.254 nan 8.230 nan 0.000 0.433 658 L N -0.602 120.531 121.223 -0.150 0.000 2.137 658 L HA -0.295 4.045 4.340 -0.000 0.000 0.213 658 L C 2.128 178.919 176.870 -0.132 0.000 1.085 658 L CA 2.126 56.914 54.840 -0.087 0.000 0.760 658 L CB -0.889 41.173 42.059 0.006 0.000 0.893 658 L HN 0.549 nan 8.230 nan 0.000 0.434 659 H N -1.909 116.851 119.070 -0.516 0.000 2.586 659 H HA 0.117 4.672 4.556 -0.000 0.000 0.273 659 H C 1.176 176.185 175.328 -0.533 0.000 0.997 659 H CA 0.419 56.165 56.048 -0.504 0.000 1.177 659 H CB 0.365 29.763 29.762 -0.607 0.000 1.471 659 H HN 0.526 nan 8.280 nan 0.000 0.538 660 N N 0.792 119.163 118.700 -0.548 0.000 2.564 660 N HA 0.018 4.758 4.740 -0.000 0.000 0.202 660 N C 0.607 175.945 175.510 -0.288 0.000 1.052 660 N CA 1.176 53.880 53.050 -0.577 0.000 0.872 660 N CB 1.546 39.305 38.487 -1.214 0.000 1.303 660 N HN 0.369 nan 8.380 nan 0.000 0.440 661 G N 0.673 109.345 108.800 -0.212 0.000 2.716 661 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 661 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 661 G C -1.145 173.813 174.900 0.097 0.000 1.337 661 G CA -0.112 44.952 45.100 -0.061 0.000 0.829 661 G HN 0.455 nan 8.290 nan 0.000 0.599 662 F N 1.037 120.954 119.950 -0.054 0.000 2.672 662 F HA 0.708 5.234 4.527 -0.000 0.000 0.311 662 F C -0.225 175.565 175.800 -0.017 0.000 1.113 662 F CA 0.273 58.262 58.000 -0.019 0.000 0.996 662 F CB 1.533 40.540 39.000 0.012 0.000 1.286 662 F HN 1.091 nan 8.300 nan 0.000 0.441 663 S N 1.219 116.308 115.700 -1.017 0.000 2.790 663 S HA 0.828 5.298 4.470 -0.000 0.000 0.292 663 S C -1.597 172.514 174.600 -0.815 0.000 1.197 663 S CA -0.858 56.894 58.200 -0.747 0.000 0.851 663 S CB 2.211 65.212 63.200 -0.332 0.000 1.217 663 S HN 0.653 nan 8.310 nan 0.000 0.526 664 T N 0.998 115.308 114.554 -0.406 0.000 2.991 664 T HA 0.695 5.045 4.350 -0.000 0.000 0.303 664 T C -0.204 174.404 174.700 -0.152 0.000 1.015 664 T CA -0.615 61.330 62.100 -0.259 0.000 1.007 664 T CB 1.575 70.340 68.868 -0.173 0.000 1.034 664 T HN 0.809 nan 8.240 nan 0.000 0.446 665 G N 0.823 109.555 108.800 -0.114 0.000 2.685 665 G HA2 0.617 4.577 3.960 -0.000 0.000 0.298 665 G HA3 0.617 4.577 3.960 -0.000 0.000 0.298 665 G C 0.445 175.314 174.900 -0.052 0.000 1.277 665 G CA -0.870 44.184 45.100 -0.077 0.000 0.986 665 G HN 0.592 nan 8.290 nan 0.000 0.487 666 I N 0.925 121.471 120.570 -0.040 0.000 2.546 666 I HA 0.047 4.216 4.170 -0.000 0.000 0.255 666 I C 2.836 178.941 176.117 -0.020 0.000 1.163 666 I CA 1.356 62.639 61.300 -0.029 0.000 1.457 666 I CB -0.245 37.741 38.000 -0.024 0.000 1.092 666 I HN 0.584 nan 8.210 nan 0.000 0.434 667 G N -0.015 108.773 108.800 -0.021 0.000 2.527 667 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 667 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 667 G C 1.250 176.146 174.900 -0.006 0.000 1.117 667 G CA 0.794 45.887 45.100 -0.012 0.000 0.759 667 G HN 0.301 nan 8.290 nan 0.000 0.556 668 D N -0.022 120.370 120.400 -0.013 0.000 2.234 668 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 668 D C 2.570 178.870 176.300 0.001 0.000 0.962 668 D CA 1.504 55.502 54.000 -0.004 0.000 0.855 668 D CB -0.121 40.669 40.800 -0.017 0.000 0.951 668 D HN 0.461 nan 8.370 nan 0.000 0.500 669 T N -1.426 113.125 114.554 -0.005 0.000 3.186 669 T HA 0.221 4.571 4.350 -0.000 0.000 0.257 669 T C 0.999 175.703 174.700 0.006 0.000 1.029 669 T CA -0.422 61.678 62.100 -0.000 0.000 0.916 669 T CB 0.086 68.950 68.868 -0.007 0.000 1.041 669 T HN -0.141 nan 8.240 nan 0.000 0.562 670 I N 1.422 121.996 120.570 0.006 0.000 3.468 670 I HA 0.794 4.964 4.170 -0.000 0.000 0.299 670 I C 0.551 176.677 176.117 0.015 0.000 1.141 670 I CA -1.239 60.066 61.300 0.009 0.000 0.950 670 I CB 0.436 38.439 38.000 0.006 0.000 1.522 670 I HN 0.350 nan 8.210 nan 0.000 0.699 671 A N 0.665 123.495 122.820 0.016 0.000 2.589 671 A HA 0.415 4.735 4.320 -0.000 0.000 0.296 671 A C -1.163 176.433 177.584 0.020 0.000 1.062 671 A CA -0.689 51.361 52.037 0.021 0.000 0.686 671 A CB 0.620 19.635 19.000 0.025 0.000 1.282 671 A HN 0.708 nan 8.150 nan 0.000 0.404 672 D N 1.264 121.677 120.400 0.022 0.000 2.836 672 D HA 0.201 4.841 4.640 -0.000 0.000 0.220 672 D C 1.687 177.999 176.300 0.019 0.000 1.094 672 D CA 2.139 56.152 54.000 0.020 0.000 0.820 672 D CB 0.715 41.529 40.800 0.023 0.000 1.171 672 D HN 0.747 nan 8.370 nan 0.000 0.507 673 G N 3.827 112.636 108.800 0.016 0.000 2.586 673 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 673 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 673 G C -0.712 174.199 174.900 0.017 0.000 1.216 673 G CA 0.481 45.590 45.100 0.015 0.000 0.786 673 G HN 0.493 nan 8.290 nan 0.000 0.583 674 P HA 0.032 nan 4.420 nan 0.000 0.222 674 P C 1.838 179.151 177.300 0.022 0.000 1.147 674 P CA 1.326 64.437 63.100 0.019 0.000 0.790 674 P CB -0.093 31.617 31.700 0.018 0.000 0.780 675 T N -0.851 113.717 114.554 0.024 0.000 2.770 675 T HA -0.064 4.286 4.350 -0.000 0.000 0.263 675 T C 1.778 176.495 174.700 0.029 0.000 1.039 675 T CA 1.039 63.156 62.100 0.028 0.000 1.142 675 T CB -0.532 68.355 68.868 0.031 0.000 0.868 675 T HN -0.041 nan 8.240 nan 0.000 0.435 676 M N 1.109 120.724 119.600 0.025 0.000 2.115 676 M HA -0.097 4.383 4.480 -0.000 0.000 0.258 676 M C 2.393 178.707 176.300 0.024 0.000 1.071 676 M CA 1.610 56.924 55.300 0.024 0.000 1.100 676 M CB -1.080 31.531 32.600 0.019 0.000 1.292 676 M HN 0.158 nan 8.290 nan 0.000 0.415 677 R N -0.005 120.508 120.500 0.022 0.000 2.159 677 R HA -0.260 4.080 4.340 -0.000 0.000 0.249 677 R C 2.077 178.393 176.300 0.026 0.000 1.136 677 R CA 2.483 58.596 56.100 0.022 0.000 0.951 677 R CB -0.354 29.958 30.300 0.019 0.000 0.876 677 R HN 0.466 nan 8.270 nan 0.000 0.440 678 E N -0.214 120.002 120.200 0.027 0.000 2.110 678 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 678 E C 1.940 178.562 176.600 0.037 0.000 0.988 678 E CA 1.561 57.979 56.400 0.030 0.000 0.804 678 E CB -0.053 29.666 29.700 0.030 0.000 0.745 678 E HN 0.411 nan 8.360 nan 0.000 0.458 679 I N 0.209 120.803 120.570 0.040 0.000 2.113 679 I HA -0.284 3.885 4.170 -0.000 0.000 0.238 679 I C 2.458 178.605 176.117 0.050 0.000 1.070 679 I CA 1.517 62.846 61.300 0.049 0.000 1.332 679 I CB -0.597 37.431 38.000 0.048 0.000 1.044 679 I HN 0.085 nan 8.210 nan 0.000 0.402 680 T N 0.605 115.185 114.554 0.042 0.000 2.746 680 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 680 T C 1.598 176.325 174.700 0.046 0.000 1.039 680 T CA 1.654 63.781 62.100 0.045 0.000 1.142 680 T CB -0.528 68.361 68.868 0.034 0.000 0.866 680 T HN 0.609 nan 8.240 nan 0.000 0.444 681 E N 0.520 120.742 120.200 0.037 0.000 2.515 681 E HA -0.074 4.275 4.350 -0.000 0.000 0.201 681 E C 1.459 178.078 176.600 0.032 0.000 1.071 681 E CA 0.877 57.296 56.400 0.032 0.000 0.880 681 E CB -0.122 29.593 29.700 0.025 0.000 0.828 681 E HN 0.264 nan 8.360 nan 0.000 0.540 682 T N -0.286 114.293 114.554 0.041 0.000 3.040 682 T HA 0.245 4.595 4.350 -0.000 0.000 0.266 682 T C 0.875 175.610 174.700 0.057 0.000 1.005 682 T CA -0.386 61.739 62.100 0.042 0.000 0.906 682 T CB 0.227 69.122 68.868 0.045 0.000 1.082 682 T HN 0.162 nan 8.240 nan 0.000 0.531 683 I N 0.649 121.264 120.570 0.074 0.000 4.057 683 I HA 0.362 4.532 4.170 -0.000 0.000 0.334 683 I C 2.287 178.455 176.117 0.087 0.000 1.308 683 I CA 0.253 61.618 61.300 0.109 0.000 1.125 683 I CB -0.534 37.569 38.000 0.172 0.000 1.034 683 I HN 0.200 nan 8.210 nan 0.000 0.401 684 A N 1.923 124.777 122.820 0.057 0.000 1.840 684 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 684 A C 2.132 179.726 177.584 0.017 0.000 1.198 684 A CA 1.529 53.591 52.037 0.042 0.000 0.608 684 A CB -0.462 18.558 19.000 0.033 0.000 0.839 684 A HN 0.535 nan 8.150 nan 0.000 0.443 685 E N -0.341 119.859 120.200 0.001 0.000 2.285 685 E HA 0.185 4.535 4.350 -0.000 0.000 0.194 685 E C 1.499 178.058 176.600 -0.069 0.000 0.997 685 E CA 0.736 57.118 56.400 -0.030 0.000 0.845 685 E CB -0.198 29.485 29.700 -0.028 0.000 0.782 685 E HN 0.431 nan 8.360 nan 0.000 0.491 686 A N 0.865 123.654 122.820 -0.052 0.000 2.278 686 A HA 0.097 4.416 4.320 -0.000 0.000 0.212 686 A C 1.832 179.357 177.584 -0.099 0.000 1.213 686 A CA 0.086 52.066 52.037 -0.093 0.000 0.840 686 A CB -0.035 18.940 19.000 -0.041 0.000 0.866 686 A HN 0.056 nan 8.150 nan 0.000 0.489 687 K N -0.638 119.732 120.400 -0.051 0.000 2.329 687 K HA 0.090 4.410 4.320 -0.000 0.000 0.198 687 K C 1.769 178.345 176.600 -0.040 0.000 1.085 687 K CA 0.178 56.446 56.287 -0.032 0.000 0.961 687 K CB 0.101 32.632 32.500 0.051 0.000 0.971 687 K HN 0.240 nan 8.250 nan 0.000 0.502 688 K N 1.836 122.212 120.400 -0.040 0.000 2.365 688 K HA -0.106 4.214 4.320 -0.000 0.000 0.199 688 K C 1.627 178.179 176.600 -0.080 0.000 1.045 688 K CA 1.026 57.293 56.287 -0.035 0.000 0.962 688 K CB 0.236 32.726 32.500 -0.017 0.000 0.759 688 K HN -0.062 nan 8.250 nan 0.000 0.469 689 K N 0.212 120.515 120.400 -0.162 0.000 2.155 689 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 689 K C 1.840 178.296 176.600 -0.239 0.000 1.052 689 K CA 0.598 56.723 56.287 -0.271 0.000 0.948 689 K CB 0.216 32.411 32.500 -0.509 0.000 0.728 689 K HN -0.106 nan 8.250 nan 0.000 0.448 690 V N 1.273 121.085 119.914 -0.170 0.000 2.307 690 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 690 V C 2.108 178.233 176.094 0.050 0.000 1.045 690 V CA 1.529 63.807 62.300 -0.036 0.000 1.024 690 V CB -0.360 31.448 31.823 -0.025 0.000 0.651 690 V HN 0.370 nan 8.190 nan 0.000 0.449 691 L N -0.033 121.214 121.223 0.040 0.000 2.349 691 L HA -0.194 4.146 4.340 -0.000 0.000 0.220 691 L C 1.748 178.660 176.870 0.070 0.000 1.130 691 L CA 1.868 56.751 54.840 0.072 0.000 0.791 691 L CB -0.429 41.661 42.059 0.052 0.000 0.918 691 L HN 0.305 nan 8.230 nan 0.000 0.444 692 D N -1.616 118.809 120.400 0.042 0.000 2.259 692 D HA -0.041 4.599 4.640 -0.000 0.000 0.216 692 D C 2.261 178.613 176.300 0.087 0.000 0.961 692 D CA 1.035 55.061 54.000 0.044 0.000 0.878 692 D CB 0.018 40.820 40.800 0.003 0.000 1.009 692 D HN 0.159 nan 8.370 nan 0.000 0.490 693 V N 1.109 121.094 119.914 0.118 0.000 2.515 693 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 693 V C 2.198 178.488 176.094 0.326 0.000 1.058 693 V CA 1.942 64.364 62.300 0.204 0.000 1.064 693 V CB -0.527 31.436 31.823 0.232 0.000 0.675 693 V HN 0.274 nan 8.190 nan 0.000 0.461 694 T N -0.867 113.911 114.554 0.373 0.000 2.746 694 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 694 T C 1.821 176.597 174.700 0.127 0.000 1.039 694 T CA 1.452 63.764 62.100 0.354 0.000 1.142 694 T CB -0.202 68.854 68.868 0.314 0.000 0.866 694 T HN 0.350 nan 8.240 nan 0.000 0.444 695 K N 0.581 121.048 120.400 0.111 0.000 2.487 695 K HA 0.097 4.416 4.320 -0.000 0.000 0.192 695 K C 2.094 178.726 176.600 0.053 0.000 1.027 695 K CA 0.235 56.561 56.287 0.064 0.000 1.054 695 K CB 0.163 32.697 32.500 0.058 0.000 0.824 695 K HN 0.429 nan 8.250 nan 0.000 0.510 696 E N -0.310 119.933 120.200 0.071 0.000 2.057 696 E HA -0.003 4.346 4.350 -0.000 0.000 0.191 696 E C 1.736 178.356 176.600 0.032 0.000 0.959 696 E CA 0.577 57.012 56.400 0.058 0.000 0.828 696 E CB 0.007 29.756 29.700 0.082 0.000 0.800 696 E HN 0.278 nan 8.360 nan 0.000 0.460 697 A N 0.980 123.820 122.820 0.033 0.000 2.032 697 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 697 A C 1.959 179.487 177.584 -0.093 0.000 1.165 697 A CA 1.652 53.660 52.037 -0.049 0.000 0.645 697 A CB -0.533 18.374 19.000 -0.155 0.000 0.807 697 A HN 0.329 nan 8.150 nan 0.000 0.453 698 Q N -1.434 118.323 119.800 -0.072 0.000 2.311 698 Q HA 0.161 4.501 4.340 -0.000 0.000 0.203 698 Q C 1.443 177.428 176.000 -0.025 0.000 0.954 698 Q CA 0.790 56.558 55.803 -0.057 0.000 0.885 698 Q CB -0.071 28.648 28.738 -0.032 0.000 0.963 698 Q HN 0.629 nan 8.270 nan 0.000 0.471 699 A N 0.894 123.708 122.820 -0.010 0.000 2.708 699 A HA 0.128 4.448 4.320 -0.000 0.000 0.293 699 A C -0.075 177.508 177.584 -0.002 0.000 1.303 699 A CA -0.480 51.556 52.037 -0.002 0.000 0.949 699 A CB -0.087 18.918 19.000 0.008 0.000 1.121 699 A HN 0.258 nan 8.150 nan 0.000 0.542 700 N N 0.008 118.700 118.700 -0.012 0.000 2.691 700 N HA -0.164 4.575 4.740 -0.000 0.000 0.277 700 N C 0.421 175.933 175.510 0.003 0.000 1.029 700 N CA 0.766 53.809 53.050 -0.010 0.000 0.798 700 N CB -1.028 37.452 38.487 -0.013 0.000 0.922 700 N HN 0.615 nan 8.380 nan 0.000 0.562 701 L N -0.550 120.680 121.223 0.011 0.000 2.577 701 L HA 0.193 4.533 4.340 -0.000 0.000 0.225 701 L C 0.962 177.848 176.870 0.027 0.000 1.053 701 L CA -0.489 54.363 54.840 0.020 0.000 0.866 701 L CB -0.007 42.067 42.059 0.025 0.000 1.132 701 L HN 0.269 nan 8.230 nan 0.000 0.486 702 L N 2.752 123.995 121.223 0.034 0.000 2.737 702 L HA -0.023 4.317 4.340 -0.000 0.000 0.275 702 L C -0.295 176.594 176.870 0.032 0.000 1.179 702 L CA 1.152 56.021 54.840 0.048 0.000 0.970 702 L CB 0.061 42.162 42.059 0.069 0.000 1.268 702 L HN 0.173 nan 8.230 nan 0.000 0.485 703 T N 4.608 119.181 114.554 0.032 0.000 2.806 703 T HA 0.472 4.822 4.350 -0.000 0.000 0.290 703 T C 0.469 175.183 174.700 0.024 0.000 0.966 703 T CA -0.554 61.560 62.100 0.024 0.000 1.060 703 T CB 1.351 70.233 68.868 0.024 0.000 0.927 703 T HN 0.751 nan 8.240 nan 0.000 0.485 704 A N 3.600 126.429 122.820 0.015 0.000 2.450 704 A HA 0.338 4.658 4.320 -0.000 0.000 0.255 704 A C 0.358 177.952 177.584 0.016 0.000 1.096 704 A CA -0.471 51.571 52.037 0.009 0.000 0.778 704 A CB -0.022 18.973 19.000 -0.010 0.000 1.031 704 A HN 0.809 nan 8.150 nan 0.000 0.494 705 K N 1.710 122.120 120.400 0.017 0.000 2.412 705 K HA 0.077 4.397 4.320 -0.000 0.000 0.281 705 K C 0.067 176.695 176.600 0.046 0.000 1.027 705 K CA 0.089 56.398 56.287 0.036 0.000 0.989 705 K CB 0.213 32.726 32.500 0.022 0.000 0.935 705 K HN 0.844 nan 8.250 nan 0.000 0.475 706 H N 1.232 120.298 119.070 -0.007 0.000 3.167 706 H HA -0.039 4.517 4.556 -0.000 0.000 0.306 706 H C 1.279 176.602 175.328 -0.009 0.000 0.965 706 H CA 2.073 58.115 56.048 -0.010 0.000 1.408 706 H CB 0.145 29.899 29.762 -0.014 0.000 1.406 706 H HN 0.805 nan 8.280 nan 0.000 0.576 707 G N 3.521 112.151 108.800 -0.283 0.000 2.339 707 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 707 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 707 G C 0.221 175.070 174.900 -0.086 0.000 1.015 707 G CA 0.115 45.139 45.100 -0.127 0.000 0.635 707 G HN 0.770 nan 8.290 nan 0.000 0.499 708 M N 1.083 120.645 119.600 -0.063 0.000 2.578 708 M HA 0.739 5.219 4.480 -0.000 0.000 0.321 708 M C 0.159 176.435 176.300 -0.041 0.000 1.182 708 M CA -0.637 54.639 55.300 -0.041 0.000 0.965 708 M CB 1.291 33.876 32.600 -0.024 0.000 1.694 708 M HN -0.009 nan 8.290 nan 0.000 0.461 709 T N 1.895 116.433 114.554 -0.028 0.000 2.855 709 T HA 0.126 4.476 4.350 -0.000 0.000 0.322 709 T C 1.439 176.131 174.700 -0.013 0.000 1.088 709 T CA -0.338 61.749 62.100 -0.021 0.000 1.104 709 T CB 0.543 69.404 68.868 -0.011 0.000 0.996 709 T HN 0.558 nan 8.240 nan 0.000 0.549 710 L N 1.721 122.935 121.223 -0.015 0.000 1.943 710 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 710 L C 2.865 179.739 176.870 0.006 0.000 1.074 710 L CA 1.756 56.591 54.840 -0.008 0.000 0.759 710 L CB -0.623 41.420 42.059 -0.026 0.000 0.888 710 L HN 0.577 nan 8.230 nan 0.000 0.433 711 R N -0.350 120.136 120.500 -0.022 0.000 2.174 711 R HA -0.248 4.092 4.340 -0.000 0.000 0.253 711 R C 2.201 178.535 176.300 0.057 0.000 1.165 711 R CA 1.877 57.963 56.100 -0.024 0.000 0.984 711 R CB -0.478 29.794 30.300 -0.047 0.000 0.873 711 R HN 0.564 nan 8.270 nan 0.000 0.456 712 E N -0.157 120.062 120.200 0.032 0.000 2.028 712 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 712 E C 2.114 178.724 176.600 0.016 0.000 0.988 712 E CA 1.496 57.909 56.400 0.022 0.000 0.799 712 E CB -0.091 29.610 29.700 0.001 0.000 0.755 712 E HN 0.300 nan 8.360 nan 0.000 0.447 713 S N 0.729 116.442 115.700 0.021 0.000 2.370 713 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 713 S C 1.934 176.541 174.600 0.011 0.000 1.033 713 S CA 1.064 59.266 58.200 0.003 0.000 1.011 713 S CB -0.526 62.681 63.200 0.013 0.000 0.852 713 S HN 0.330 nan 8.310 nan 0.000 0.457 714 F N 2.741 122.643 119.950 -0.079 0.000 2.026 714 F HA -0.064 4.463 4.527 -0.000 0.000 0.296 714 F C 2.629 178.373 175.800 -0.093 0.000 1.133 714 F CA 2.236 60.186 58.000 -0.084 0.000 1.188 714 F CB -0.617 38.319 39.000 -0.106 0.000 0.968 714 F HN 0.120 nan 8.300 nan 0.000 0.476 715 E N 0.508 120.729 120.200 0.035 0.000 2.086 715 E HA -0.338 4.012 4.350 -0.000 0.000 0.205 715 E C 1.888 178.378 176.600 -0.185 0.000 1.027 715 E CA 2.002 58.357 56.400 -0.075 0.000 0.830 715 E CB -0.944 28.765 29.700 0.015 0.000 0.751 715 E HN 0.622 nan 8.360 nan 0.000 0.456 716 D N 0.202 120.511 120.400 -0.152 0.000 2.088 716 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 716 D C 1.731 177.852 176.300 -0.300 0.000 0.992 716 D CA 1.578 55.462 54.000 -0.193 0.000 0.831 716 D CB -0.212 40.491 40.800 -0.161 0.000 0.973 716 D HN -0.016 nan 8.370 nan 0.000 0.447 717 N N -0.306 118.190 118.700 -0.339 0.000 2.112 717 N HA -0.204 4.536 4.740 -0.000 0.000 0.200 717 N C 1.915 177.056 175.510 -0.615 0.000 1.011 717 N CA 1.611 54.357 53.050 -0.506 0.000 0.891 717 N CB -0.691 37.587 38.487 -0.348 0.000 1.060 717 N HN 0.187 nan 8.380 nan 0.000 0.478 718 V N 0.635 120.275 119.914 -0.456 0.000 2.244 718 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 718 V C 2.473 178.449 176.094 -0.197 0.000 1.042 718 V CA 1.392 63.524 62.300 -0.281 0.000 1.006 718 V CB -0.688 30.896 31.823 -0.397 0.000 0.641 718 V HN 0.078 nan 8.190 nan 0.000 0.446 719 V N 0.062 119.860 119.914 -0.193 0.000 2.257 719 V HA -0.440 3.679 4.120 -0.000 0.000 0.257 719 V C 2.533 178.567 176.094 -0.100 0.000 1.077 719 V CA 2.782 65.012 62.300 -0.116 0.000 1.063 719 V CB -0.946 30.825 31.823 -0.087 0.000 0.664 719 V HN 0.475 nan 8.190 nan 0.000 0.450 720 R N -1.124 119.277 120.500 -0.165 0.000 2.075 720 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 720 R C 2.322 178.591 176.300 -0.052 0.000 1.140 720 R CA 1.963 57.977 56.100 -0.144 0.000 0.928 720 R CB -0.560 29.586 30.300 -0.257 0.000 0.834 720 R HN 0.499 nan 8.270 nan 0.000 0.429 721 F N 0.890 120.769 119.950 -0.118 0.000 2.214 721 F HA -0.319 4.207 4.527 -0.000 0.000 0.302 721 F C 2.082 177.789 175.800 -0.155 0.000 1.063 721 F CA 0.664 58.590 58.000 -0.123 0.000 1.319 721 F CB -0.068 38.845 39.000 -0.145 0.000 1.046 721 F HN 0.099 nan 8.300 nan 0.000 0.505 722 L N -1.086 120.122 121.223 -0.025 0.000 2.200 722 L HA -0.113 4.227 4.340 -0.000 0.000 0.200 722 L C 2.163 178.980 176.870 -0.089 0.000 1.072 722 L CA 0.389 55.089 54.840 -0.232 0.000 0.787 722 L CB -0.681 41.079 42.059 -0.500 0.000 0.957 722 L HN 0.035 nan 8.230 nan 0.000 0.459 723 N N 0.737 119.432 118.700 -0.008 0.000 2.007 723 N HA -0.257 4.483 4.740 -0.000 0.000 0.197 723 N C 1.664 177.228 175.510 0.090 0.000 1.050 723 N CA 1.651 54.744 53.050 0.073 0.000 0.856 723 N CB -0.327 38.212 38.487 0.086 0.000 1.050 723 N HN 0.340 nan 8.380 nan 0.000 0.423 724 E N 0.542 120.788 120.200 0.076 0.000 2.233 724 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 724 E C 1.798 178.454 176.600 0.093 0.000 1.004 724 E CA 1.028 57.481 56.400 0.090 0.000 0.819 724 E CB -0.035 29.725 29.700 0.100 0.000 0.738 724 E HN 0.399 nan 8.360 nan 0.000 0.478 725 A N 0.738 123.605 122.820 0.078 0.000 1.898 725 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 725 A C 2.037 179.692 177.584 0.118 0.000 1.183 725 A CA 1.024 53.106 52.037 0.076 0.000 0.622 725 A CB -0.233 18.788 19.000 0.035 0.000 0.824 725 A HN 0.063 nan 8.150 nan 0.000 0.444 726 R N -0.235 120.351 120.500 0.144 0.000 2.092 726 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 726 R C 1.017 177.429 176.300 0.187 0.000 1.119 726 R CA 1.737 57.943 56.100 0.178 0.000 0.970 726 R CB -0.162 30.258 30.300 0.201 0.000 0.864 726 R HN 0.513 nan 8.270 nan 0.000 0.440 727 D N -0.072 120.447 120.400 0.197 0.000 2.183 727 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 727 D C 1.660 178.081 176.300 0.201 0.000 0.962 727 D CA 0.788 54.946 54.000 0.263 0.000 0.849 727 D CB -0.101 40.823 40.800 0.206 0.000 0.978 727 D HN 0.042 nan 8.370 nan 0.000 0.488 728 K N 1.421 121.902 120.400 0.134 0.000 2.032 728 K HA -0.061 4.259 4.320 -0.000 0.000 0.209 728 K C 1.913 178.582 176.600 0.114 0.000 1.048 728 K CA 1.536 57.883 56.287 0.100 0.000 0.927 728 K CB -0.334 32.213 32.500 0.077 0.000 0.712 728 K HN 0.046 nan 8.250 nan 0.000 0.441 729 A N -0.289 122.606 122.820 0.124 0.000 2.016 729 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 729 A C 2.216 179.886 177.584 0.144 0.000 1.162 729 A CA 1.352 53.459 52.037 0.117 0.000 0.662 729 A CB -0.965 18.100 19.000 0.108 0.000 0.812 729 A HN 0.462 nan 8.150 nan 0.000 0.450 730 G N 0.123 109.044 108.800 0.203 0.000 2.604 730 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 730 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 730 G C 1.473 176.614 174.900 0.401 0.000 1.265 730 G CA 0.728 45.996 45.100 0.280 0.000 0.804 730 G HN 0.507 nan 8.290 nan 0.000 0.579 731 R N 0.080 120.853 120.500 0.455 0.000 2.395 731 R HA 0.163 4.503 4.340 -0.000 0.000 0.203 731 R C 2.124 178.518 176.300 0.157 0.000 1.076 731 R CA -0.092 56.162 56.100 0.257 0.000 1.059 731 R CB -0.287 29.990 30.300 -0.038 0.000 0.860 731 R HN 0.317 nan 8.270 nan 0.000 0.476 732 L N -0.601 120.713 121.223 0.150 0.000 2.492 732 L HA -0.002 4.338 4.340 -0.000 0.000 0.223 732 L C 2.075 179.005 176.870 0.101 0.000 1.132 732 L CA 0.341 55.243 54.840 0.102 0.000 0.850 732 L CB -0.093 42.016 42.059 0.083 0.000 0.966 732 L HN 0.247 nan 8.230 nan 0.000 0.454 733 A N -0.765 122.133 122.820 0.131 0.000 1.911 733 A HA -0.137 4.183 4.320 -0.000 0.000 0.212 733 A C 2.010 179.668 177.584 0.123 0.000 1.189 733 A CA 0.620 52.721 52.037 0.107 0.000 0.639 733 A CB -0.217 18.833 19.000 0.083 0.000 0.839 733 A HN 0.316 nan 8.150 nan 0.000 0.449 734 E N -0.383 119.932 120.200 0.191 0.000 2.516 734 E HA -0.008 4.342 4.350 -0.000 0.000 0.199 734 E C 1.338 177.998 176.600 0.100 0.000 1.069 734 E CA 0.348 56.850 56.400 0.171 0.000 0.876 734 E CB 0.060 29.913 29.700 0.255 0.000 0.843 734 E HN 0.344 nan 8.360 nan 0.000 0.530 735 V N 0.350 120.315 119.914 0.085 0.000 2.949 735 V HA -0.057 4.062 4.120 -0.000 0.000 0.245 735 V C 1.675 177.801 176.094 0.054 0.000 1.086 735 V CA 1.163 63.498 62.300 0.058 0.000 1.097 735 V CB 0.066 31.917 31.823 0.047 0.000 0.762 735 V HN 0.202 nan 8.190 nan 0.000 0.470 736 N N -0.373 118.362 118.700 0.059 0.000 2.467 736 N HA 0.090 4.830 4.740 -0.000 0.000 0.184 736 N C 0.473 176.011 175.510 0.047 0.000 1.106 736 N CA 0.219 53.298 53.050 0.049 0.000 0.892 736 N CB -0.124 38.392 38.487 0.047 0.000 0.969 736 N HN 0.419 nan 8.380 nan 0.000 0.454 737 L N 1.174 122.430 121.223 0.055 0.000 2.439 737 L HA 0.168 4.508 4.340 -0.000 0.000 0.269 737 L C 0.664 177.563 176.870 0.047 0.000 1.179 737 L CA -0.152 54.719 54.840 0.052 0.000 0.828 737 L CB 0.775 42.870 42.059 0.061 0.000 1.106 737 L HN 0.133 nan 8.230 nan 0.000 0.467 738 K N 1.434 121.861 120.400 0.045 0.000 2.109 738 K HA 0.165 4.485 4.320 -0.000 0.000 0.243 738 K C -0.069 176.560 176.600 0.048 0.000 1.006 738 K CA -0.762 55.551 56.287 0.043 0.000 0.917 738 K CB 1.007 33.530 32.500 0.039 0.000 1.081 738 K HN 0.428 nan 8.250 nan 0.000 0.468 739 D N 0.544 120.971 120.400 0.045 0.000 2.269 739 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 739 D C 1.271 177.606 176.300 0.059 0.000 0.963 739 D CA 0.839 54.867 54.000 0.046 0.000 0.864 739 D CB -0.014 40.808 40.800 0.037 0.000 0.936 739 D HN 0.351 nan 8.370 nan 0.000 0.505 740 L N -1.307 119.954 121.223 0.062 0.000 2.612 740 L HA 0.257 4.596 4.340 -0.000 0.000 0.230 740 L C 0.304 177.229 176.870 0.091 0.000 1.140 740 L CA -0.066 54.821 54.840 0.079 0.000 0.896 740 L CB -0.895 41.203 42.059 0.064 0.000 1.065 740 L HN -0.238 nan 8.230 nan 0.000 0.447 741 N N 0.986 119.736 118.700 0.084 0.000 2.421 741 N HA 0.071 4.811 4.740 -0.000 0.000 0.260 741 N C 0.820 176.407 175.510 0.129 0.000 1.173 741 N CA 0.022 53.121 53.050 0.082 0.000 0.960 741 N CB -0.062 38.462 38.487 0.062 0.000 1.273 741 N HN 0.261 nan 8.380 nan 0.000 0.497 742 N N 1.464 120.259 118.700 0.159 0.000 2.139 742 N HA -0.315 4.424 4.740 -0.000 0.000 0.199 742 N C 1.153 176.842 175.510 0.297 0.000 1.003 742 N CA 1.723 54.952 53.050 0.299 0.000 0.892 742 N CB -0.008 38.447 38.487 -0.055 0.000 1.039 742 N HN 0.299 nan 8.380 nan 0.000 0.461 743 V N 0.830 120.829 119.914 0.141 0.000 2.244 743 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 743 V C 2.200 178.360 176.094 0.109 0.000 1.042 743 V CA 1.571 63.937 62.300 0.110 0.000 1.006 743 V CB -0.610 31.243 31.823 0.050 0.000 0.641 743 V HN 0.281 nan 8.190 nan 0.000 0.446 744 K N -0.209 120.247 120.400 0.093 0.000 2.160 744 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 744 K C 2.161 178.805 176.600 0.073 0.000 1.047 744 K CA 1.712 58.047 56.287 0.080 0.000 0.930 744 K CB -0.104 32.440 32.500 0.073 0.000 0.720 744 K HN 0.571 nan 8.250 nan 0.000 0.450 745 Q N -0.860 118.999 119.800 0.098 0.000 2.451 745 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 745 Q C 1.572 177.553 176.000 -0.031 0.000 0.947 745 Q CA 0.447 56.276 55.803 0.044 0.000 0.937 745 Q CB 0.285 29.073 28.738 0.083 0.000 1.025 745 Q HN 0.355 nan 8.270 nan 0.000 0.511 746 M N -1.194 118.430 119.600 0.041 0.000 2.534 746 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 746 M C 1.830 178.139 176.300 0.015 0.000 1.152 746 M CA 0.352 55.659 55.300 0.012 0.000 1.145 746 M CB 0.543 33.205 32.600 0.103 0.000 1.333 746 M HN 0.009 nan 8.290 nan 0.000 0.477 747 V N 0.991 120.927 119.914 0.036 0.000 2.221 747 V HA -0.291 3.829 4.120 -0.000 0.000 0.242 747 V C 2.287 178.392 176.094 0.019 0.000 1.041 747 V CA 1.954 64.276 62.300 0.036 0.000 0.995 747 V CB -0.528 31.330 31.823 0.058 0.000 0.635 747 V HN 0.472 nan 8.190 nan 0.000 0.448 748 M N -0.240 119.370 119.600 0.016 0.000 2.192 748 M HA -0.281 4.199 4.480 -0.000 0.000 0.256 748 M C 2.112 178.399 176.300 -0.021 0.000 1.076 748 M CA 2.308 57.608 55.300 -0.000 0.000 1.075 748 M CB -0.560 32.038 32.600 -0.003 0.000 1.368 748 M HN 0.480 nan 8.290 nan 0.000 0.406 749 A N -0.768 122.032 122.820 -0.034 0.000 1.911 749 A HA 0.360 4.680 4.320 -0.000 0.000 0.212 749 A C 1.677 179.242 177.584 -0.031 0.000 1.189 749 A CA 1.114 53.121 52.037 -0.050 0.000 0.639 749 A CB -0.428 18.523 19.000 -0.082 0.000 0.839 749 A HN 0.625 nan 8.150 nan 0.000 0.449 750 G N -0.329 108.462 108.800 -0.015 0.000 2.270 750 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.224 750 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.224 750 G C 0.737 175.637 174.900 -0.000 0.000 1.079 750 G CA 1.073 46.171 45.100 -0.003 0.000 0.807 750 G HN 1.208 nan 8.290 nan 0.000 0.492 751 S N -1.215 114.485 115.700 0.000 0.000 2.341 751 S HA 0.398 4.868 4.470 -0.000 0.000 0.216 751 S C 0.849 175.461 174.600 0.021 0.000 1.034 751 S CA 0.965 59.171 58.200 0.010 0.000 0.964 751 S CB 0.528 63.734 63.200 0.010 0.000 0.882 751 S HN 0.326 nan 8.310 nan 0.000 0.469 752 K N 1.017 121.432 120.400 0.025 0.000 2.501 752 K HA 0.598 4.918 4.320 -0.000 0.000 0.252 752 K C -0.258 176.353 176.600 0.019 0.000 0.934 752 K CA 0.350 56.650 56.287 0.021 0.000 0.797 752 K CB 1.461 33.976 32.500 0.024 0.000 1.270 752 K HN 0.679 nan 8.250 nan 0.000 0.431 753 G N 1.476 110.282 108.800 0.010 0.000 2.777 753 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 753 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 753 G C -0.284 174.628 174.900 0.020 0.000 1.177 753 G CA -0.118 44.985 45.100 0.005 0.000 0.775 753 G HN 0.761 nan 8.290 nan 0.000 0.613 754 S N 1.261 116.973 115.700 0.021 0.000 2.786 754 S HA 0.791 5.261 4.470 -0.000 0.000 0.302 754 S C 1.260 175.913 174.600 0.087 0.000 1.080 754 S CA 0.298 58.536 58.200 0.064 0.000 0.925 754 S CB 1.033 64.275 63.200 0.070 0.000 1.325 754 S HN 1.705 nan 8.310 nan 0.000 0.576 755 F N 1.104 121.055 119.950 0.002 0.000 2.026 755 F HA -0.051 4.476 4.527 -0.000 0.000 0.296 755 F C 2.096 177.902 175.800 0.009 0.000 1.133 755 F CA 1.684 59.690 58.000 0.010 0.000 1.188 755 F CB -0.840 38.169 39.000 0.016 0.000 0.968 755 F HN 0.500 nan 8.300 nan 0.000 0.476 756 I N 1.547 122.000 120.570 -0.195 0.000 2.161 756 I HA -0.481 3.689 4.170 -0.000 0.000 0.246 756 I C 1.929 177.862 176.117 -0.306 0.000 1.048 756 I CA 2.528 63.643 61.300 -0.307 0.000 1.314 756 I CB -0.963 36.977 38.000 -0.100 0.000 1.014 756 I HN 0.367 nan 8.210 nan 0.000 0.418 757 N N 0.131 118.718 118.700 -0.189 0.000 2.036 757 N HA -0.222 4.517 4.740 -0.000 0.000 0.195 757 N C 1.848 177.264 175.510 -0.156 0.000 1.037 757 N CA 2.026 54.991 53.050 -0.141 0.000 0.855 757 N CB -0.340 38.092 38.487 -0.093 0.000 1.033 757 N HN 0.270 nan 8.380 nan 0.000 0.423 758 I N 1.412 121.874 120.570 -0.180 0.000 2.068 758 I HA -0.314 3.856 4.170 -0.000 0.000 0.238 758 I C 2.452 178.464 176.117 -0.174 0.000 1.046 758 I CA 1.558 62.768 61.300 -0.150 0.000 1.306 758 I CB -1.806 36.122 38.000 -0.120 0.000 1.023 758 I HN 0.169 nan 8.210 nan 0.000 0.399 759 A N 0.377 122.990 122.820 -0.346 0.000 1.908 759 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 759 A C 2.230 179.754 177.584 -0.101 0.000 1.181 759 A CA 1.504 53.387 52.037 -0.257 0.000 0.627 759 A CB -0.670 18.064 19.000 -0.444 0.000 0.818 759 A HN 0.562 nan 8.150 nan 0.000 0.445 760 Q N -0.800 118.955 119.800 -0.076 0.000 2.077 760 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 760 Q C 2.285 178.421 176.000 0.227 0.000 0.989 760 Q CA 1.889 57.749 55.803 0.095 0.000 0.853 760 Q CB -0.431 28.397 28.738 0.150 0.000 0.907 760 Q HN 0.752 nan 8.270 nan 0.000 0.418 761 M N -0.057 119.601 119.600 0.097 0.000 2.081 761 M HA -0.092 4.388 4.480 -0.000 0.000 0.261 761 M C 2.024 178.367 176.300 0.072 0.000 1.075 761 M CA 1.436 56.790 55.300 0.090 0.000 1.133 761 M CB -0.083 32.502 32.600 -0.025 0.000 1.330 761 M HN 0.026 nan 8.290 nan 0.000 0.414 762 S N -0.687 115.026 115.700 0.022 0.000 2.535 762 S HA 0.344 4.814 4.470 -0.000 0.000 0.214 762 S C 1.327 175.936 174.600 0.015 0.000 0.980 762 S CA 0.349 58.559 58.200 0.017 0.000 0.907 762 S CB 0.432 63.638 63.200 0.011 0.000 0.790 762 S HN 0.482 nan 8.310 nan 0.000 0.510 763 A N -0.274 122.552 122.820 0.009 0.000 1.878 763 A HA 0.606 4.926 4.320 -0.000 0.000 0.201 763 A C 0.383 177.968 177.584 0.002 0.000 1.831 763 A CA 0.296 52.340 52.037 0.012 0.000 1.050 763 A CB 0.470 19.484 19.000 0.022 0.000 1.063 763 A HN 0.524 nan 8.150 nan 0.000 0.588 764 C N -0.069 119.225 119.300 -0.011 0.000 3.178 764 C HA 0.440 4.900 4.460 -0.000 0.000 0.428 764 C C 0.911 175.868 174.990 -0.054 0.000 0.967 764 C CA -0.085 58.912 59.018 -0.034 0.000 1.205 764 C CB 0.718 28.482 27.740 0.040 0.000 1.584 764 C HN 1.140 nan 8.230 nan 0.000 0.591 765 V N 4.565 124.383 119.914 -0.159 0.000 3.541 765 V HA 0.597 4.717 4.120 -0.000 0.000 0.267 765 V C 1.369 177.404 176.094 -0.098 0.000 1.213 765 V CA 1.735 63.928 62.300 -0.180 0.000 1.149 765 V CB -0.822 30.723 31.823 -0.463 0.000 0.822 765 V HN 2.542 nan 8.190 nan 0.000 0.462 766 G N 0.288 109.068 108.800 -0.033 0.000 2.645 766 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 766 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 766 G C -0.407 174.659 174.900 0.276 0.000 1.322 766 G CA 0.328 45.577 45.100 0.248 0.000 0.898 766 G HN 0.731 nan 8.290 nan 0.000 0.573 767 Q N -0.363 119.715 119.800 0.462 0.000 2.260 767 Q HA 0.527 4.867 4.340 -0.000 0.000 0.242 767 Q C 0.375 176.472 176.000 0.162 0.000 0.932 767 Q CA -0.525 55.481 55.803 0.338 0.000 0.891 767 Q CB 1.059 29.962 28.738 0.275 0.000 1.222 767 Q HN 0.531 nan 8.270 nan 0.000 0.453 768 Q N -0.088 119.790 119.800 0.131 0.000 2.162 768 Q HA 0.459 4.799 4.340 -0.000 0.000 0.197 768 Q C -0.696 175.342 176.000 0.064 0.000 1.013 768 Q CA -0.143 55.723 55.803 0.105 0.000 1.040 768 Q CB 1.669 30.494 28.738 0.146 0.000 1.114 768 Q HN 0.565 nan 8.270 nan 0.000 0.547 769 S N -1.679 114.051 115.700 0.050 0.000 3.081 769 S HA 0.875 5.345 4.470 -0.000 0.000 0.316 769 S C -1.682 172.955 174.600 0.061 0.000 1.089 769 S CA -0.292 57.937 58.200 0.049 0.000 0.897 769 S CB 0.855 64.049 63.200 -0.011 0.000 1.358 769 S HN 0.404 nan 8.310 nan 0.000 0.678 770 V N 1.835 121.793 119.914 0.074 0.000 2.803 770 V HA 0.080 4.200 4.120 -0.000 0.000 0.411 770 V C -0.405 175.728 176.094 0.065 0.000 0.690 770 V CA 0.292 62.626 62.300 0.056 0.000 1.938 770 V CB -0.049 31.799 31.823 0.042 0.000 2.448 770 V HN 1.065 nan 8.190 nan 0.000 0.481 771 E N 2.796 123.028 120.200 0.053 0.000 3.253 771 E HA -0.269 4.081 4.350 -0.000 0.000 0.284 771 E C 1.433 178.068 176.600 0.058 0.000 0.958 771 E CA 2.482 58.908 56.400 0.043 0.000 0.917 771 E CB -1.188 28.534 29.700 0.037 0.000 1.466 771 E HN 2.495 nan 8.360 nan 0.000 0.455 772 G N -1.377 107.488 108.800 0.108 0.000 2.320 772 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.242 772 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.242 772 G C 0.272 175.276 174.900 0.172 0.000 1.033 772 G CA 0.603 45.793 45.100 0.150 0.000 0.620 772 G HN 0.355 nan 8.290 nan 0.000 0.517 773 K N 1.638 122.105 120.400 0.112 0.000 2.098 773 K HA 0.568 4.888 4.320 -0.000 0.000 0.261 773 K C 1.116 177.760 176.600 0.073 0.000 0.987 773 K CA -0.574 55.762 56.287 0.081 0.000 0.916 773 K CB 1.258 33.788 32.500 0.049 0.000 1.039 773 K HN 0.616 nan 8.250 nan 0.000 0.455 774 R N 0.900 121.426 120.500 0.043 0.000 2.896 774 R HA 0.109 4.449 4.340 -0.000 0.000 0.283 774 R C 0.220 176.487 176.300 -0.055 0.000 1.201 774 R CA -0.640 55.464 56.100 0.007 0.000 1.178 774 R CB 0.096 30.390 30.300 -0.010 0.000 1.152 774 R HN 0.395 nan 8.270 nan 0.000 0.590 775 I N 1.413 121.911 120.570 -0.121 0.000 2.821 775 I HA -0.088 4.082 4.170 -0.000 0.000 0.294 775 I C 0.686 176.678 176.117 -0.208 0.000 1.210 775 I CA 0.488 61.682 61.300 -0.177 0.000 1.430 775 I CB -0.054 37.728 38.000 -0.363 0.000 1.356 775 I HN 0.782 nan 8.210 nan 0.000 0.563 776 A N 7.943 130.704 122.820 -0.098 0.000 2.406 776 A HA 0.176 4.496 4.320 -0.000 0.000 0.243 776 A C -0.043 177.516 177.584 -0.042 0.000 1.082 776 A CA -0.121 51.877 52.037 -0.064 0.000 0.786 776 A CB -0.009 19.009 19.000 0.030 0.000 1.029 776 A HN 0.592 nan 8.150 nan 0.000 0.495 777 F N 1.669 121.652 119.950 0.056 0.000 2.425 777 F HA 0.297 4.824 4.527 -0.000 0.000 0.354 777 F C 1.618 177.443 175.800 0.040 0.000 1.162 777 F CA -0.137 57.898 58.000 0.059 0.000 1.250 777 F CB 0.735 39.760 39.000 0.042 0.000 1.579 777 F HN 0.807 nan 8.300 nan 0.000 0.589 778 G N 2.781 111.698 108.800 0.195 0.000 2.404 778 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 778 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 778 G C 0.422 175.261 174.900 -0.101 0.000 1.189 778 G CA 0.021 45.111 45.100 -0.017 0.000 0.789 778 G HN 0.301 nan 8.290 nan 0.000 0.533 779 F N 0.802 120.825 119.950 0.122 0.000 2.471 779 F HA 0.337 4.864 4.527 -0.000 0.000 0.353 779 F C 0.656 176.461 175.800 0.009 0.000 1.113 779 F CA -0.914 57.119 58.000 0.055 0.000 1.262 779 F CB 1.230 40.255 39.000 0.042 0.000 1.146 779 F HN -0.225 nan 8.300 nan 0.000 0.578 780 V N 3.728 123.730 119.914 0.146 0.000 2.458 780 V HA -0.071 4.049 4.120 -0.000 0.000 0.287 780 V C 0.019 176.014 176.094 -0.164 0.000 1.009 780 V CA -0.014 62.280 62.300 -0.010 0.000 1.091 780 V CB -0.371 31.448 31.823 -0.006 0.000 0.960 780 V HN 0.886 nan 8.190 nan 0.000 0.476 781 D N 2.361 122.498 120.400 -0.438 0.000 3.012 781 D HA -0.197 4.443 4.640 -0.000 0.000 0.222 781 D C 0.458 176.144 176.300 -1.024 0.000 1.167 781 D CA 1.734 55.185 54.000 -0.914 0.000 0.854 781 D CB -0.680 39.840 40.800 -0.467 0.000 1.107 781 D HN 0.982 nan 8.370 nan 0.000 0.421 782 R N -3.516 116.633 120.500 -0.584 0.000 2.733 782 R HA 0.674 5.014 4.340 -0.000 0.000 0.272 782 R C 0.456 177.112 176.300 0.593 0.000 1.029 782 R CA -0.789 55.360 56.100 0.082 0.000 0.888 782 R CB 0.490 30.857 30.300 0.111 0.000 1.251 782 R HN -0.189 nan 8.270 nan 0.000 0.464 783 T N -0.003 114.939 114.554 0.646 0.000 2.904 783 T HA 0.297 4.647 4.350 -0.000 0.000 0.243 783 T C 0.595 175.766 174.700 0.785 0.000 1.024 783 T CA 0.359 62.855 62.100 0.661 0.000 1.158 783 T CB 0.031 69.252 68.868 0.589 0.000 0.867 783 T HN 0.258 nan 8.240 nan 0.000 0.429 784 L N 0.893 122.539 121.223 0.704 0.000 2.388 784 L HA 0.390 4.730 4.340 -0.000 0.000 0.264 784 L C -2.267 174.414 176.870 -0.316 0.000 0.998 784 L CA -2.535 52.444 54.840 0.232 0.000 0.817 784 L CB 2.659 44.846 42.059 0.213 0.000 1.338 784 L HN -0.124 nan 8.230 nan 0.000 0.414 785 P HA -0.114 nan 4.420 nan 0.000 0.231 785 P C 0.621 177.534 177.300 -0.646 0.000 1.158 785 P CA 0.932 63.525 63.100 -0.846 0.000 0.763 785 P CB -0.063 31.049 31.700 -0.981 0.000 0.805 786 H N -2.194 116.668 119.070 -0.346 0.000 2.547 786 H HA 0.175 4.731 4.556 -0.000 0.000 0.274 786 H C 0.287 175.369 175.328 -0.410 0.000 1.024 786 H CA 0.229 56.046 56.048 -0.384 0.000 1.155 786 H CB -0.612 28.859 29.762 -0.486 0.000 1.344 786 H HN 0.241 nan 8.280 nan 0.000 0.598 787 F N 0.637 120.594 119.950 0.013 0.000 2.532 787 F HA 0.258 4.785 4.527 -0.000 0.000 0.321 787 F C 0.687 176.483 175.800 -0.007 0.000 1.089 787 F CA -1.209 56.820 58.000 0.049 0.000 0.926 787 F CB 1.560 40.627 39.000 0.112 0.000 1.168 787 F HN -0.135 nan 8.300 nan 0.000 0.459 788 S N 1.421 117.262 115.700 0.235 0.000 2.580 788 S HA 0.105 4.575 4.470 -0.000 0.000 0.261 788 S C -0.097 174.538 174.600 0.058 0.000 1.366 788 S CA -0.675 57.587 58.200 0.103 0.000 0.996 788 S CB 0.469 63.722 63.200 0.087 0.000 0.902 788 S HN 0.460 nan 8.310 nan 0.000 0.566 789 K N 0.761 121.154 120.400 -0.012 0.000 2.098 789 K HA 0.124 4.444 4.320 -0.000 0.000 0.257 789 K C -0.522 176.007 176.600 -0.119 0.000 0.999 789 K CA -0.379 55.853 56.287 -0.091 0.000 0.924 789 K CB 0.279 32.714 32.500 -0.109 0.000 1.028 789 K HN 0.536 nan 8.250 nan 0.000 0.466 790 D N 2.174 122.423 120.400 -0.252 0.000 2.812 790 D HA -0.187 4.453 4.640 -0.000 0.000 0.237 790 D C -1.081 175.125 176.300 -0.157 0.000 1.162 790 D CA 1.127 54.969 54.000 -0.262 0.000 0.740 790 D CB -0.577 40.156 40.800 -0.111 0.000 1.000 790 D HN 0.483 nan 8.370 nan 0.000 0.416 791 D N -0.370 119.930 120.400 -0.167 0.000 2.414 791 D HA 0.249 4.888 4.640 -0.000 0.000 0.232 791 D C 0.212 176.442 176.300 -0.118 0.000 1.070 791 D CA -0.469 53.480 54.000 -0.085 0.000 0.839 791 D CB 0.414 41.163 40.800 -0.084 0.000 1.079 791 D HN 0.165 nan 8.370 nan 0.000 0.521 792 Y N 1.294 121.662 120.300 0.112 0.000 2.444 792 Y HA 0.100 4.649 4.550 -0.000 0.000 0.249 792 Y C 1.461 177.423 175.900 0.103 0.000 1.134 792 Y CA -0.327 57.854 58.100 0.135 0.000 1.261 792 Y CB 0.652 39.231 38.460 0.199 0.000 1.143 792 Y HN 0.344 nan 8.280 nan 0.000 0.523 793 S N 0.944 116.756 115.700 0.187 0.000 2.614 793 S HA 0.115 4.585 4.470 -0.000 0.000 0.265 793 S C -1.441 173.193 174.600 0.056 0.000 1.303 793 S CA -1.303 56.974 58.200 0.127 0.000 1.000 793 S CB 1.110 64.380 63.200 0.118 0.000 0.935 793 S HN -0.073 nan 8.310 nan 0.000 0.551 794 P HA -0.273 nan 4.420 nan 0.000 0.218 794 P C 1.419 178.821 177.300 0.171 0.000 1.165 794 P CA 2.015 65.194 63.100 0.130 0.000 0.922 794 P CB -0.270 31.557 31.700 0.211 0.000 0.794 795 E N -0.268 120.039 120.200 0.178 0.000 2.118 795 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 795 E C 2.208 178.867 176.600 0.099 0.000 0.992 795 E CA 1.344 57.876 56.400 0.219 0.000 0.804 795 E CB -1.243 28.610 29.700 0.255 0.000 0.741 795 E HN 0.249 nan 8.360 nan 0.000 0.458 796 S N 0.871 116.420 115.700 -0.250 0.000 2.371 796 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 796 S C 1.235 175.560 174.600 -0.459 0.000 1.029 796 S CA 0.745 58.477 58.200 -0.779 0.000 0.978 796 S CB 0.043 62.842 63.200 -0.668 0.000 0.833 796 S HN 0.174 nan 8.310 nan 0.000 0.466 797 K N 0.741 120.955 120.400 -0.310 0.000 3.095 797 K HA 0.359 4.679 4.320 -0.000 0.000 0.220 797 K C 0.438 176.826 176.600 -0.352 0.000 1.216 797 K CA 0.277 56.349 56.287 -0.358 0.000 1.167 797 K CB 0.386 32.738 32.500 -0.247 0.000 1.199 797 K HN 0.402 nan 8.250 nan 0.000 0.458 798 G N 1.805 110.275 108.800 -0.550 0.000 2.149 798 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.235 798 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.235 798 G C -0.516 174.411 174.900 0.044 0.000 1.018 798 G CA -0.443 44.394 45.100 -0.438 0.000 0.728 798 G HN 0.440 nan 8.290 nan 0.000 0.508 799 F N 1.610 121.545 119.950 -0.026 0.000 2.385 799 F HA 0.622 5.149 4.527 -0.000 0.000 0.360 799 F C 0.237 176.089 175.800 0.087 0.000 1.122 799 F CA -1.448 56.572 58.000 0.034 0.000 1.090 799 F CB 1.618 40.630 39.000 0.021 0.000 1.150 799 F HN 0.053 nan 8.300 nan 0.000 0.472 800 V N 7.617 127.222 119.914 -0.514 0.000 2.389 800 V HA 0.108 4.228 4.120 -0.000 0.000 0.264 800 V C 1.108 176.637 176.094 -0.942 0.000 1.049 800 V CA -0.332 61.663 62.300 -0.507 0.000 0.932 800 V CB 0.805 32.435 31.823 -0.321 0.000 1.011 800 V HN 0.820 nan 8.190 nan 0.000 0.475 801 E N 4.447 124.216 120.200 -0.718 0.000 1.998 801 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 801 E C 0.820 177.224 176.600 -0.327 0.000 1.003 801 E CA 0.982 57.068 56.400 -0.524 0.000 0.829 801 E CB -0.013 29.581 29.700 -0.177 0.000 0.777 801 E HN 0.729 nan 8.360 nan 0.000 0.460 802 N N 1.478 120.049 118.700 -0.216 0.000 2.395 802 N HA -0.044 4.695 4.740 -0.000 0.000 0.246 802 N C -0.090 175.305 175.510 -0.191 0.000 1.246 802 N CA 0.374 53.333 53.050 -0.152 0.000 0.879 802 N CB 0.505 38.925 38.487 -0.112 0.000 1.098 802 N HN 0.121 nan 8.380 nan 0.000 0.444 803 S N 1.206 116.831 115.700 -0.125 0.000 2.592 803 S HA 0.131 4.601 4.470 -0.000 0.000 0.271 803 S C 1.137 175.680 174.600 -0.095 0.000 1.326 803 S CA -0.607 57.529 58.200 -0.105 0.000 1.024 803 S CB 0.362 63.549 63.200 -0.021 0.000 0.921 803 S HN 0.494 nan 8.310 nan 0.000 0.527 804 Y N 0.359 120.617 120.300 -0.071 0.000 2.228 804 Y HA -0.184 4.366 4.550 -0.000 0.000 0.285 804 Y C 2.257 178.129 175.900 -0.048 0.000 1.178 804 Y CA 1.474 59.539 58.100 -0.058 0.000 1.202 804 Y CB -0.146 38.284 38.460 -0.050 0.000 0.974 804 Y HN 0.580 nan 8.280 nan 0.000 0.527 805 L N 1.027 122.317 121.223 0.111 0.000 2.023 805 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 805 L C 1.978 178.857 176.870 0.014 0.000 1.073 805 L CA 1.893 56.762 54.840 0.048 0.000 0.745 805 L CB -0.690 41.389 42.059 0.032 0.000 0.900 805 L HN 0.243 nan 8.230 nan 0.000 0.435 806 R N 0.606 121.104 120.500 -0.004 0.000 2.148 806 R HA 0.138 4.477 4.340 -0.000 0.000 0.227 806 R C 0.937 177.219 176.300 -0.031 0.000 1.103 806 R CA 0.613 56.701 56.100 -0.019 0.000 0.983 806 R CB -0.545 29.739 30.300 -0.028 0.000 0.874 806 R HN 0.576 nan 8.270 nan 0.000 0.451 807 G N 0.524 109.300 108.800 -0.041 0.000 2.675 807 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.686 807 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.686 807 G C -1.126 173.722 174.900 -0.087 0.000 1.215 807 G CA -1.097 43.969 45.100 -0.057 0.000 0.777 807 G HN -0.028 nan 8.290 nan 0.000 0.638 808 L N 1.057 122.223 121.223 -0.095 0.000 2.418 808 L HA 0.785 5.125 4.340 -0.000 0.000 0.265 808 L C 1.605 178.453 176.870 -0.036 0.000 1.143 808 L CA 0.206 55.003 54.840 -0.072 0.000 0.809 808 L CB 1.278 43.324 42.059 -0.023 0.000 1.124 808 L HN 1.184 nan 8.230 nan 0.000 0.456 809 T N -0.728 113.822 114.554 -0.007 0.000 2.952 809 T HA 0.479 4.829 4.350 -0.000 0.000 0.286 809 T C -1.966 172.746 174.700 0.020 0.000 1.024 809 T CA -1.887 60.211 62.100 -0.004 0.000 1.029 809 T CB 1.728 70.591 68.868 -0.008 0.000 1.094 809 T HN 0.385 nan 8.240 nan 0.000 0.515 810 P HA -0.167 nan 4.420 nan 0.000 0.215 810 P C 1.429 178.694 177.300 -0.058 0.000 1.163 810 P CA 1.503 64.586 63.100 -0.029 0.000 0.894 810 P CB 0.031 31.652 31.700 -0.131 0.000 0.791 811 Q N -0.227 119.478 119.800 -0.158 0.000 1.967 811 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 811 Q C 2.163 177.945 176.000 -0.364 0.000 0.985 811 Q CA 1.531 57.127 55.803 -0.345 0.000 0.839 811 Q CB -0.979 27.661 28.738 -0.164 0.000 0.906 811 Q HN 0.345 nan 8.270 nan 0.000 0.423 812 E N 0.031 120.233 120.200 0.003 0.000 2.132 812 E HA -0.282 4.068 4.350 -0.000 0.000 0.218 812 E C 1.768 178.480 176.600 0.186 0.000 1.058 812 E CA 1.559 58.063 56.400 0.174 0.000 0.882 812 E CB -0.412 29.349 29.700 0.103 0.000 0.774 812 E HN 0.262 nan 8.360 nan 0.000 0.467 813 F N 0.761 120.718 119.950 0.012 0.000 2.095 813 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 813 F C 2.081 177.923 175.800 0.071 0.000 1.104 813 F CA 1.429 59.465 58.000 0.060 0.000 1.232 813 F CB -0.688 38.334 39.000 0.036 0.000 0.987 813 F HN -0.023 nan 8.300 nan 0.000 0.475 814 F N 0.055 119.819 119.950 -0.310 0.000 2.069 814 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 814 F C 2.251 177.933 175.800 -0.197 0.000 1.113 814 F CA 1.960 59.714 58.000 -0.409 0.000 1.214 814 F CB -0.912 37.880 39.000 -0.347 0.000 0.978 814 F HN 0.011 nan 8.300 nan 0.000 0.474 815 F N -0.859 119.211 119.950 0.200 0.000 2.043 815 F HA -0.342 4.185 4.527 -0.000 0.000 0.297 815 F C 2.673 178.490 175.800 0.027 0.000 1.121 815 F CA 1.392 59.477 58.000 0.142 0.000 1.199 815 F CB -1.056 38.063 39.000 0.198 0.000 0.968 815 F HN 0.094 nan 8.300 nan 0.000 0.478 816 H N 0.673 119.824 119.070 0.136 0.000 2.289 816 H HA -0.218 4.338 4.556 -0.000 0.000 0.294 816 H C 2.097 177.374 175.328 -0.085 0.000 1.095 816 H CA 1.583 57.660 56.048 0.047 0.000 1.256 816 H CB -0.729 29.088 29.762 0.092 0.000 1.359 816 H HN 0.180 nan 8.280 nan 0.000 0.487 817 A N 0.733 123.319 122.820 -0.390 0.000 1.927 817 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 817 A C 2.671 180.014 177.584 -0.402 0.000 1.185 817 A CA 2.225 53.918 52.037 -0.573 0.000 0.639 817 A CB -0.866 17.580 19.000 -0.922 0.000 0.820 817 A HN 0.573 nan 8.150 nan 0.000 0.451 818 M N -0.980 118.429 119.600 -0.319 0.000 2.202 818 M HA -0.145 4.335 4.480 -0.000 0.000 0.262 818 M C 2.176 178.429 176.300 -0.079 0.000 1.063 818 M CA 1.479 56.676 55.300 -0.172 0.000 1.097 818 M CB -0.491 32.124 32.600 0.024 0.000 1.382 818 M HN 0.562 nan 8.290 nan 0.000 0.413 819 G N -0.653 108.119 108.800 -0.046 0.000 2.471 819 G HA2 0.036 3.996 3.960 -0.000 0.000 0.211 819 G HA3 0.036 3.996 3.960 -0.000 0.000 0.211 819 G C 1.475 176.349 174.900 -0.044 0.000 1.194 819 G CA 0.585 45.679 45.100 -0.009 0.000 0.816 819 G HN 0.494 nan 8.290 nan 0.000 0.545 820 G N 1.073 109.813 108.800 -0.101 0.000 2.597 820 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.222 820 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.222 820 G C 1.872 176.720 174.900 -0.087 0.000 1.135 820 G CA 1.673 46.704 45.100 -0.115 0.000 0.759 820 G HN 0.478 nan 8.290 nan 0.000 0.595 821 R N 0.838 121.271 120.500 -0.112 0.000 2.139 821 R HA -0.074 4.266 4.340 -0.000 0.000 0.243 821 R C 2.328 178.598 176.300 -0.050 0.000 1.145 821 R CA 2.043 58.089 56.100 -0.090 0.000 0.976 821 R CB -0.598 29.633 30.300 -0.116 0.000 0.866 821 R HN 0.590 nan 8.270 nan 0.000 0.449 822 E N -1.282 118.897 120.200 -0.035 0.000 2.106 822 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 822 E C 1.768 178.365 176.600 -0.005 0.000 0.984 822 E CA 1.094 57.486 56.400 -0.012 0.000 0.806 822 E CB -0.375 29.326 29.700 0.003 0.000 0.750 822 E HN 0.539 nan 8.360 nan 0.000 0.458 823 G N 1.501 110.298 108.800 -0.005 0.000 2.491 823 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 823 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 823 G C 1.528 176.427 174.900 -0.002 0.000 1.180 823 G CA 1.085 46.188 45.100 0.004 0.000 0.774 823 G HN 0.215 nan 8.290 nan 0.000 0.562 824 L N 0.362 121.577 121.223 -0.013 0.000 2.083 824 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 824 L C 2.848 179.712 176.870 -0.010 0.000 1.083 824 L CA 0.392 55.224 54.840 -0.013 0.000 0.752 824 L CB -0.613 41.433 42.059 -0.022 0.000 0.899 824 L HN 0.111 nan 8.230 nan 0.000 0.433 825 I N 0.470 121.033 120.570 -0.011 0.000 2.194 825 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 825 I C 2.235 178.350 176.117 -0.004 0.000 1.093 825 I CA 1.646 62.941 61.300 -0.008 0.000 1.355 825 I CB -1.191 36.804 38.000 -0.008 0.000 1.046 825 I HN 0.351 nan 8.210 nan 0.000 0.413 826 D N 0.252 120.652 120.400 -0.000 0.000 2.085 826 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 826 D C 2.134 178.436 176.300 0.002 0.000 0.981 826 D CA 2.061 56.063 54.000 0.003 0.000 0.834 826 D CB -0.808 39.996 40.800 0.007 0.000 0.992 826 D HN 0.366 nan 8.370 nan 0.000 0.457 827 T N -0.971 113.584 114.554 0.003 0.000 3.052 827 T HA 0.058 4.408 4.350 -0.000 0.000 0.270 827 T C 1.638 176.337 174.700 -0.002 0.000 1.147 827 T CA 1.164 63.264 62.100 0.001 0.000 1.089 827 T CB -0.068 68.801 68.868 0.001 0.000 0.875 827 T HN 0.119 nan 8.240 nan 0.000 0.541 828 A N 0.935 123.753 122.820 -0.003 0.000 1.864 828 A HA 0.524 4.844 4.320 -0.000 0.000 0.213 828 A C 1.389 178.970 177.584 -0.005 0.000 1.266 828 A CA 0.705 52.738 52.037 -0.006 0.000 0.612 828 A CB 0.243 19.238 19.000 -0.007 0.000 0.940 828 A HN 0.537 nan 8.150 nan 0.000 0.463 829 V N 0.371 120.282 119.914 -0.004 0.000 2.468 829 V HA 0.342 4.462 4.120 -0.000 0.000 0.256 829 V C 0.350 176.445 176.094 0.001 0.000 0.998 829 V CA -0.168 62.130 62.300 -0.004 0.000 1.114 829 V CB 0.427 32.245 31.823 -0.009 0.000 1.378 829 V HN 0.569 nan 8.190 nan 0.000 0.573 830 K N -0.212 120.191 120.400 0.004 0.000 2.491 830 K HA 0.117 4.437 4.320 -0.000 0.000 0.211 830 K C 1.668 178.277 176.600 0.015 0.000 1.210 830 K CA 0.396 56.689 56.287 0.010 0.000 1.003 830 K CB 1.038 33.543 32.500 0.008 0.000 1.009 830 K HN 0.446 nan 8.250 nan 0.000 0.577 831 T N 1.095 115.655 114.554 0.010 0.000 2.788 831 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 831 T C 1.777 176.490 174.700 0.022 0.000 1.044 831 T CA 1.419 63.526 62.100 0.011 0.000 1.139 831 T CB -0.092 68.778 68.868 0.003 0.000 0.867 831 T HN 0.305 nan 8.240 nan 0.000 0.454 832 A N 1.506 124.337 122.820 0.019 0.000 1.908 832 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 832 A C 2.195 179.820 177.584 0.069 0.000 1.181 832 A CA 1.806 53.858 52.037 0.024 0.000 0.627 832 A CB -0.528 18.470 19.000 -0.004 0.000 0.818 832 A HN 0.574 nan 8.150 nan 0.000 0.445 833 E N -0.934 119.311 120.200 0.075 0.000 2.031 833 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 833 E C 2.163 178.838 176.600 0.124 0.000 0.994 833 E CA 1.652 58.132 56.400 0.133 0.000 0.800 833 E CB -0.373 29.384 29.700 0.094 0.000 0.752 833 E HN 0.624 nan 8.360 nan 0.000 0.447 834 T N 0.132 114.725 114.554 0.064 0.000 2.699 834 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 834 T C 1.830 176.551 174.700 0.035 0.000 1.036 834 T CA 1.340 63.461 62.100 0.033 0.000 1.147 834 T CB -0.489 68.385 68.868 0.011 0.000 0.862 834 T HN 0.359 nan 8.240 nan 0.000 0.446 835 G N -0.716 108.118 108.800 0.056 0.000 2.623 835 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 835 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 835 G C 1.286 176.264 174.900 0.130 0.000 1.138 835 G CA 0.025 45.161 45.100 0.059 0.000 0.794 835 G HN 0.490 nan 8.290 nan 0.000 0.535 836 Y N 1.153 121.460 120.300 0.010 0.000 2.337 836 Y HA 0.058 4.608 4.550 -0.000 0.000 0.293 836 Y C 2.359 178.292 175.900 0.055 0.000 1.123 836 Y CA -0.185 57.934 58.100 0.031 0.000 1.201 836 Y CB -0.072 38.406 38.460 0.029 0.000 1.011 836 Y HN 0.051 nan 8.280 nan 0.000 0.545 837 I N 0.609 121.162 120.570 -0.028 0.000 2.076 837 I HA -0.329 3.840 4.170 -0.000 0.000 0.237 837 I C 2.558 178.611 176.117 -0.107 0.000 1.059 837 I CA 1.529 62.759 61.300 -0.115 0.000 1.317 837 I CB -1.486 36.486 38.000 -0.046 0.000 1.037 837 I HN 0.297 nan 8.210 nan 0.000 0.398 838 Q N 0.844 120.609 119.800 -0.058 0.000 1.998 838 Q HA -0.261 4.079 4.340 -0.000 0.000 0.209 838 Q C 2.430 178.395 176.000 -0.058 0.000 1.002 838 Q CA 1.975 57.739 55.803 -0.066 0.000 0.858 838 Q CB -0.323 28.382 28.738 -0.056 0.000 0.932 838 Q HN 0.382 nan 8.270 nan 0.000 0.416 839 R N -0.233 120.265 120.500 -0.003 0.000 2.154 839 R HA -0.190 4.150 4.340 -0.000 0.000 0.248 839 R C 2.403 178.738 176.300 0.057 0.000 1.155 839 R CA 1.689 57.821 56.100 0.052 0.000 0.979 839 R CB -0.059 30.325 30.300 0.141 0.000 0.869 839 R HN 0.210 nan 8.270 nan 0.000 0.452 840 R N -0.104 120.375 120.500 -0.036 0.000 2.055 840 R HA 0.038 4.378 4.340 -0.000 0.000 0.226 840 R C 2.380 178.494 176.300 -0.310 0.000 1.135 840 R CA 0.829 56.870 56.100 -0.097 0.000 0.959 840 R CB -0.239 29.980 30.300 -0.135 0.000 0.854 840 R HN 0.125 nan 8.270 nan 0.000 0.431 841 L N 0.366 121.445 121.223 -0.240 0.000 1.997 841 L HA -0.248 4.092 4.340 -0.000 0.000 0.216 841 L C 2.347 179.060 176.870 -0.261 0.000 1.074 841 L CA 1.510 56.198 54.840 -0.253 0.000 0.763 841 L CB -0.777 41.181 42.059 -0.168 0.000 0.890 841 L HN 0.113 nan 8.230 nan 0.000 0.434 842 V N -0.361 119.440 119.914 -0.187 0.000 2.469 842 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 842 V C 2.536 178.519 176.094 -0.186 0.000 1.064 842 V CA 1.626 63.834 62.300 -0.153 0.000 1.066 842 V CB -0.487 31.280 31.823 -0.093 0.000 0.667 842 V HN 0.371 nan 8.190 nan 0.000 0.461 843 K N -0.662 119.589 120.400 -0.248 0.000 2.361 843 K HA 0.200 4.520 4.320 -0.000 0.000 0.196 843 K C 2.080 178.339 176.600 -0.569 0.000 1.039 843 K CA 0.987 57.093 56.287 -0.301 0.000 1.001 843 K CB 0.065 32.452 32.500 -0.188 0.000 0.795 843 K HN 0.460 nan 8.250 nan 0.000 0.495 844 A N 0.805 123.145 122.820 -0.800 0.000 1.898 844 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 844 A C 2.062 179.373 177.584 -0.454 0.000 1.183 844 A CA 0.964 52.405 52.037 -0.993 0.000 0.622 844 A CB -0.200 18.160 19.000 -1.066 0.000 0.824 844 A HN 0.174 nan 8.150 nan 0.000 0.444 845 L N -2.507 118.529 121.223 -0.313 0.000 2.262 845 L HA 0.120 4.460 4.340 -0.000 0.000 0.197 845 L C 1.812 178.603 176.870 -0.133 0.000 1.073 845 L CA 0.841 55.572 54.840 -0.181 0.000 0.800 845 L CB -0.763 41.211 42.059 -0.140 0.000 0.987 845 L HN 0.552 nan 8.230 nan 0.000 0.470 846 E N 1.127 121.245 120.200 -0.136 0.000 3.681 846 E HA -0.398 3.952 4.350 -0.000 0.000 0.444 846 E C 0.616 177.172 176.600 -0.073 0.000 1.570 846 E CA 2.375 58.715 56.400 -0.101 0.000 1.415 846 E CB -0.871 28.768 29.700 -0.101 0.000 1.310 846 E HN 0.729 nan 8.360 nan 0.000 0.346 847 D N 0.858 121.223 120.400 -0.059 0.000 2.344 847 D HA -0.003 4.636 4.640 -0.000 0.000 0.242 847 D C 0.454 176.742 176.300 -0.021 0.000 1.159 847 D CA 0.143 54.120 54.000 -0.038 0.000 0.859 847 D CB -0.244 40.543 40.800 -0.021 0.000 0.925 847 D HN 0.140 nan 8.370 nan 0.000 0.510 848 I N 2.525 123.077 120.570 -0.031 0.000 2.278 848 I HA 0.105 4.275 4.170 -0.000 0.000 0.300 848 I C 0.698 176.803 176.117 -0.020 0.000 1.174 848 I CA -0.073 61.222 61.300 -0.009 0.000 1.347 848 I CB -0.627 37.366 38.000 -0.011 0.000 1.473 848 I HN 0.161 nan 8.210 nan 0.000 0.595 849 M N 5.049 124.644 119.600 -0.009 0.000 2.363 849 M HA 0.567 5.047 4.480 -0.000 0.000 0.343 849 M C -0.708 175.590 176.300 -0.004 0.000 1.165 849 M CA -0.609 54.649 55.300 -0.071 0.000 1.046 849 M CB 1.912 34.417 32.600 -0.157 0.000 1.648 849 M HN -0.049 nan 8.290 nan 0.000 0.452 850 V N 4.041 123.906 119.914 -0.081 0.000 2.740 850 V HA 0.109 4.228 4.120 -0.000 0.000 0.303 850 V C 0.573 176.626 176.094 -0.068 0.000 1.054 850 V CA 0.213 62.493 62.300 -0.033 0.000 1.106 850 V CB -0.088 31.660 31.823 -0.124 0.000 0.957 850 V HN 0.846 nan 8.190 nan 0.000 0.486 851 H N 2.468 121.483 119.070 -0.092 0.000 2.748 851 H HA 0.277 4.833 4.556 -0.000 0.000 0.315 851 H C -0.245 175.014 175.328 -0.115 0.000 1.429 851 H CA -0.481 55.512 56.048 -0.092 0.000 1.444 851 H CB 1.150 30.916 29.762 0.007 0.000 1.827 851 H HN 0.586 nan 8.280 nan 0.000 0.754 852 Y N 0.595 121.004 120.300 0.182 0.000 2.553 852 Y HA -0.094 4.456 4.550 -0.000 0.000 0.303 852 Y C 0.912 176.870 175.900 0.097 0.000 1.194 852 Y CA 0.303 58.470 58.100 0.112 0.000 1.305 852 Y CB 0.078 38.596 38.460 0.097 0.000 1.045 852 Y HN 0.547 nan 8.280 nan 0.000 0.514 853 D N -3.079 117.448 120.400 0.212 0.000 2.433 853 D HA 0.013 4.652 4.640 -0.000 0.000 0.211 853 D C 0.343 176.712 176.300 0.113 0.000 1.114 853 D CA -0.007 54.080 54.000 0.144 0.000 0.837 853 D CB -0.277 40.593 40.800 0.117 0.000 0.984 853 D HN 0.051 nan 8.370 nan 0.000 0.505 854 N N -0.273 118.488 118.700 0.103 0.000 2.925 854 N HA -0.127 4.613 4.740 -0.000 0.000 0.244 854 N C -0.803 174.767 175.510 0.100 0.000 1.000 854 N CA 1.323 54.423 53.050 0.083 0.000 0.895 854 N CB -1.543 36.990 38.487 0.077 0.000 1.119 854 N HN 0.586 nan 8.380 nan 0.000 0.569 855 T N -1.507 113.100 114.554 0.088 0.000 2.771 855 T HA 0.435 4.785 4.350 -0.000 0.000 0.281 855 T C 0.285 174.997 174.700 0.020 0.000 0.982 855 T CA -0.441 61.687 62.100 0.047 0.000 0.978 855 T CB 1.755 70.627 68.868 0.008 0.000 0.930 855 T HN 0.023 nan 8.240 nan 0.000 0.447 856 T N 5.821 120.389 114.554 0.023 0.000 2.765 856 T HA 0.284 4.634 4.350 -0.000 0.000 0.284 856 T C 0.521 175.201 174.700 -0.033 0.000 0.946 856 T CA -0.245 61.880 62.100 0.040 0.000 1.185 856 T CB -0.423 68.492 68.868 0.078 0.000 0.887 856 T HN 0.813 nan 8.240 nan 0.000 0.532 857 R N 2.566 123.071 120.500 0.009 0.000 2.869 857 R HA 0.579 4.919 4.340 -0.000 0.000 0.263 857 R C -0.297 176.014 176.300 0.019 0.000 1.066 857 R CA -1.284 54.782 56.100 -0.056 0.000 0.960 857 R CB 1.433 31.616 30.300 -0.195 0.000 1.221 857 R HN 0.650 nan 8.270 nan 0.000 0.474 858 N N -1.018 117.673 118.700 -0.014 0.000 2.776 858 N HA 0.158 4.898 4.740 -0.000 0.000 0.319 858 N C 0.313 175.841 175.510 0.029 0.000 1.316 858 N CA -0.593 52.464 53.050 0.012 0.000 0.890 858 N CB 1.277 39.758 38.487 -0.010 0.000 1.165 858 N HN 0.574 nan 8.380 nan 0.000 0.596 859 S N -0.272 115.442 115.700 0.024 0.000 2.419 859 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 859 S C 1.761 176.373 174.600 0.021 0.000 1.016 859 S CA 0.753 58.971 58.200 0.030 0.000 0.974 859 S CB -0.717 62.497 63.200 0.023 0.000 0.786 859 S HN 0.496 nan 8.310 nan 0.000 0.492 860 L N 0.660 121.887 121.223 0.006 0.000 2.446 860 L HA 0.332 4.672 4.340 -0.000 0.000 0.219 860 L C 2.096 178.956 176.870 -0.015 0.000 1.116 860 L CA 0.485 55.325 54.840 -0.001 0.000 0.844 860 L CB -0.762 41.297 42.059 -0.001 0.000 0.970 860 L HN 0.544 nan 8.230 nan 0.000 0.457 861 G N -0.407 108.370 108.800 -0.038 0.000 2.195 861 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 861 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 861 G C 0.037 174.883 174.900 -0.090 0.000 0.984 861 G CA -0.226 44.826 45.100 -0.081 0.000 0.633 861 G HN 0.353 nan 8.290 nan 0.000 0.525 862 N N 0.915 119.576 118.700 -0.064 0.000 2.447 862 N HA 0.372 5.112 4.740 -0.000 0.000 0.263 862 N C 0.698 176.139 175.510 -0.116 0.000 1.226 862 N CA 0.155 53.164 53.050 -0.068 0.000 0.906 862 N CB 1.321 39.784 38.487 -0.040 0.000 1.060 862 N HN 0.258 nan 8.380 nan 0.000 0.468 863 V N 3.462 123.276 119.914 -0.167 0.000 2.811 863 V HA 0.051 4.171 4.120 -0.000 0.000 0.302 863 V C 1.441 177.376 176.094 -0.266 0.000 1.063 863 V CA 0.033 62.161 62.300 -0.287 0.000 1.088 863 V CB 0.692 32.195 31.823 -0.533 0.000 0.982 863 V HN 0.534 nan 8.190 nan 0.000 0.485 864 I N 1.366 121.784 120.570 -0.253 0.000 3.673 864 I HA 0.240 4.410 4.170 -0.000 0.000 0.281 864 I C 0.660 176.650 176.117 -0.212 0.000 1.182 864 I CA 0.642 61.837 61.300 -0.175 0.000 1.391 864 I CB -0.353 37.597 38.000 -0.084 0.000 1.383 864 I HN 0.599 nan 8.210 nan 0.000 0.456 865 Q N -0.490 119.181 119.800 -0.214 0.000 2.413 865 Q HA 0.439 4.779 4.340 -0.000 0.000 0.276 865 Q C -0.335 175.526 176.000 -0.231 0.000 1.099 865 Q CA -0.550 55.158 55.803 -0.159 0.000 0.814 865 Q CB 2.670 31.398 28.738 -0.017 0.000 1.379 865 Q HN 0.005 nan 8.270 nan 0.000 0.436 866 F N 0.350 120.317 119.950 0.028 0.000 2.664 866 F HA 0.243 4.770 4.527 -0.000 0.000 0.296 866 F C 0.466 176.290 175.800 0.041 0.000 1.125 866 F CA 0.293 58.311 58.000 0.029 0.000 1.444 866 F CB 0.639 39.650 39.000 0.020 0.000 1.114 866 F HN 0.304 nan 8.300 nan 0.000 0.576 867 I N -1.702 118.983 120.570 0.192 0.000 2.569 867 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 867 I C -0.883 175.305 176.117 0.118 0.000 1.088 867 I CA -1.474 59.910 61.300 0.140 0.000 1.047 867 I CB 1.146 39.212 38.000 0.111 0.000 1.237 867 I HN -0.215 nan 8.210 nan 0.000 0.421 868 Y N 5.530 125.849 120.300 0.032 0.000 2.810 868 Y HA 0.279 4.829 4.550 -0.000 0.000 0.332 868 Y C 1.396 177.316 175.900 0.032 0.000 1.243 868 Y CA 1.082 59.193 58.100 0.019 0.000 1.537 868 Y CB 0.522 38.985 38.460 0.006 0.000 1.265 868 Y HN 0.918 nan 8.280 nan 0.000 0.572 869 G N 5.001 113.329 108.800 -0.786 0.000 2.321 869 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.287 869 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.287 869 G C 0.388 175.190 174.900 -0.164 0.000 1.018 869 G CA 0.662 45.390 45.100 -0.619 0.000 0.855 869 G HN 1.036 nan 8.290 nan 0.000 0.507 870 E N -1.918 118.246 120.200 -0.059 0.000 3.562 870 E HA -0.345 4.005 4.350 -0.000 0.000 0.298 870 E C 0.923 177.538 176.600 0.025 0.000 0.830 870 E CA 1.601 58.018 56.400 0.028 0.000 1.013 870 E CB -0.913 28.834 29.700 0.079 0.000 1.510 870 E HN 0.949 nan 8.360 nan 0.000 0.463 871 D N -1.278 119.126 120.400 0.008 0.000 2.480 871 D HA 0.122 4.762 4.640 -0.000 0.000 0.276 871 D C 0.974 177.292 176.300 0.031 0.000 1.294 871 D CA 0.673 54.691 54.000 0.030 0.000 0.829 871 D CB -0.142 40.676 40.800 0.030 0.000 1.242 871 D HN 0.337 nan 8.370 nan 0.000 0.513 872 G N 1.166 109.997 108.800 0.051 0.000 2.225 872 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 872 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 872 G C -0.317 174.613 174.900 0.050 0.000 1.060 872 G CA 0.557 45.712 45.100 0.092 0.000 0.833 872 G HN 0.353 nan 8.290 nan 0.000 0.498 873 M N 0.938 120.586 119.600 0.080 0.000 2.253 873 M HA 0.414 4.894 4.480 -0.000 0.000 0.314 873 M C -0.335 176.057 176.300 0.152 0.000 1.019 873 M CA -1.421 53.884 55.300 0.008 0.000 0.932 873 M CB 1.595 34.154 32.600 -0.069 0.000 1.606 873 M HN 0.151 nan 8.290 nan 0.000 0.430 874 D N 3.148 123.614 120.400 0.110 0.000 2.412 874 D HA 0.147 4.787 4.640 -0.000 0.000 0.257 874 D C 0.879 177.318 176.300 0.232 0.000 1.217 874 D CA 0.383 54.505 54.000 0.203 0.000 0.897 874 D CB 1.152 42.087 40.800 0.226 0.000 1.132 874 D HN 0.805 nan 8.370 nan 0.000 0.493 875 A N 4.506 127.458 122.820 0.221 0.000 2.054 875 A HA -0.239 4.081 4.320 -0.000 0.000 0.223 875 A C 2.167 179.834 177.584 0.137 0.000 1.169 875 A CA 2.249 54.380 52.037 0.156 0.000 0.655 875 A CB -0.501 18.585 19.000 0.144 0.000 0.812 875 A HN 0.700 nan 8.150 nan 0.000 0.462 876 A N -0.994 121.906 122.820 0.132 0.000 1.908 876 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 876 A C 1.634 179.195 177.584 -0.038 0.000 1.181 876 A CA 1.354 53.394 52.037 0.005 0.000 0.627 876 A CB -0.815 18.112 19.000 -0.122 0.000 0.818 876 A HN 0.739 nan 8.150 nan 0.000 0.445 877 H N -1.042 118.056 119.070 0.047 0.000 2.704 877 H HA 0.421 4.977 4.556 -0.000 0.000 0.315 877 H C -0.833 174.507 175.328 0.019 0.000 1.117 877 H CA 0.076 56.133 56.048 0.015 0.000 1.129 877 H CB -0.376 29.362 29.762 -0.040 0.000 1.439 877 H HN 0.365 nan 8.280 nan 0.000 0.528 878 I N 1.674 122.337 120.570 0.155 0.000 2.607 878 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 878 I C -0.618 175.620 176.117 0.202 0.000 1.129 878 I CA -0.751 60.640 61.300 0.152 0.000 1.042 878 I CB 2.465 40.549 38.000 0.141 0.000 1.242 878 I HN 0.154 nan 8.210 nan 0.000 0.421 879 E N 5.161 125.480 120.200 0.197 0.000 2.340 879 E HA 0.384 4.734 4.350 -0.000 0.000 0.273 879 E C -1.460 175.252 176.600 0.186 0.000 0.891 879 E CA -1.290 55.250 56.400 0.233 0.000 0.757 879 E CB 2.393 32.251 29.700 0.262 0.000 1.231 879 E HN 0.552 nan 8.360 nan 0.000 0.439 880 K N 2.141 122.638 120.400 0.162 0.000 2.383 880 K HA 0.115 4.435 4.320 -0.000 0.000 0.286 880 K C -0.725 175.924 176.600 0.083 0.000 1.051 880 K CA -0.171 56.181 56.287 0.107 0.000 0.974 880 K CB 0.375 32.890 32.500 0.025 0.000 0.968 880 K HN 0.609 nan 8.250 nan 0.000 0.475 881 Q N 1.710 121.566 119.800 0.093 0.000 2.285 881 Q HA 0.209 4.549 4.340 -0.000 0.000 0.269 881 Q C -1.013 175.031 176.000 0.073 0.000 1.030 881 Q CA -0.974 54.879 55.803 0.083 0.000 0.788 881 Q CB 1.729 30.533 28.738 0.109 0.000 1.266 881 Q HN 0.737 nan 8.270 nan 0.000 0.438 882 S N 2.986 118.712 115.700 0.044 0.000 2.537 882 S HA 0.217 4.687 4.470 -0.000 0.000 0.286 882 S C 0.026 174.672 174.600 0.075 0.000 1.299 882 S CA -0.523 57.697 58.200 0.033 0.000 1.067 882 S CB 0.018 63.226 63.200 0.014 0.000 0.864 882 S HN 0.579 nan 8.310 nan 0.000 0.494 883 L N 3.425 124.703 121.223 0.092 0.000 2.328 883 L HA 0.304 4.644 4.340 -0.000 0.000 0.280 883 L C 0.498 177.438 176.870 0.117 0.000 1.111 883 L CA -0.749 54.161 54.840 0.117 0.000 0.909 883 L CB -0.175 41.975 42.059 0.151 0.000 1.277 883 L HN 0.629 nan 8.230 nan 0.000 0.433 884 D N -0.139 120.338 120.400 0.128 0.000 2.286 884 D HA -0.263 4.376 4.640 -0.000 0.000 0.195 884 D C 1.680 178.081 176.300 0.169 0.000 1.012 884 D CA 1.960 56.052 54.000 0.152 0.000 0.901 884 D CB -0.478 40.423 40.800 0.169 0.000 0.903 884 D HN 0.553 nan 8.370 nan 0.000 0.451 885 T N 0.052 114.700 114.554 0.157 0.000 2.962 885 T HA -0.041 4.309 4.350 -0.000 0.000 0.270 885 T C 1.827 176.617 174.700 0.149 0.000 1.088 885 T CA 0.371 62.573 62.100 0.169 0.000 1.127 885 T CB 0.046 68.985 68.868 0.118 0.000 0.883 885 T HN 0.198 nan 8.240 nan 0.000 0.493 886 I N 1.335 121.984 120.570 0.131 0.000 2.130 886 I HA 0.099 4.269 4.170 -0.000 0.000 0.232 886 I C 1.870 178.086 176.117 0.166 0.000 1.064 886 I CA 0.710 62.088 61.300 0.130 0.000 1.338 886 I CB -1.568 36.484 38.000 0.086 0.000 1.084 886 I HN 0.246 nan 8.210 nan 0.000 0.404 887 G N -0.087 108.776 108.800 0.106 0.000 2.527 887 G HA2 0.453 4.413 3.960 -0.000 0.000 0.248 887 G HA3 0.453 4.413 3.960 -0.000 0.000 0.248 887 G C -0.042 174.955 174.900 0.162 0.000 1.231 887 G CA 0.538 45.727 45.100 0.148 0.000 0.838 887 G HN 0.757 nan 8.290 nan 0.000 0.570 888 G N -0.801 108.098 108.800 0.165 0.000 2.402 888 G HA2 0.286 4.245 3.960 -0.000 0.000 0.666 888 G HA3 0.286 4.245 3.960 -0.000 0.000 0.666 888 G C -0.251 174.731 174.900 0.138 0.000 1.402 888 G CA -0.304 44.887 45.100 0.151 0.000 0.920 888 G HN 0.987 nan 8.290 nan 0.000 0.651 889 S N 0.235 116.007 115.700 0.121 0.000 2.560 889 S HA 0.194 4.664 4.470 -0.000 0.000 0.284 889 S C 1.222 175.886 174.600 0.107 0.000 1.327 889 S CA -0.104 58.152 58.200 0.094 0.000 1.055 889 S CB 0.893 64.143 63.200 0.082 0.000 0.868 889 S HN 0.550 nan 8.310 nan 0.000 0.506 890 D N 1.926 122.359 120.400 0.055 0.000 2.417 890 D HA -0.082 4.558 4.640 -0.000 0.000 0.225 890 D C 1.398 177.754 176.300 0.093 0.000 0.983 890 D CA 0.833 54.853 54.000 0.034 0.000 0.949 890 D CB 0.136 40.932 40.800 -0.007 0.000 0.879 890 D HN 0.548 nan 8.370 nan 0.000 0.520 891 A N 0.334 123.223 122.820 0.115 0.000 2.011 891 A HA 0.362 4.682 4.320 -0.000 0.000 0.204 891 A C 2.181 179.870 177.584 0.174 0.000 1.520 891 A CA 0.790 52.906 52.037 0.132 0.000 0.819 891 A CB -0.559 18.495 19.000 0.090 0.000 1.087 891 A HN 0.120 nan 8.150 nan 0.000 0.526 892 A N -0.841 122.071 122.820 0.152 0.000 2.032 892 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 892 A C 1.951 179.659 177.584 0.207 0.000 1.165 892 A CA 1.742 53.869 52.037 0.149 0.000 0.645 892 A CB -0.834 18.237 19.000 0.118 0.000 0.807 892 A HN 0.740 nan 8.150 nan 0.000 0.453 893 F N 0.334 120.346 119.950 0.103 0.000 2.113 893 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 893 F C 2.181 178.099 175.800 0.196 0.000 1.103 893 F CA 2.088 60.155 58.000 0.112 0.000 1.248 893 F CB -0.205 38.800 39.000 0.009 0.000 0.999 893 F HN 0.380 nan 8.300 nan 0.000 0.475 894 E N 0.302 120.766 120.200 0.440 0.000 2.058 894 E HA -0.310 4.040 4.350 -0.000 0.000 0.194 894 E C 2.081 178.823 176.600 0.236 0.000 0.997 894 E CA 1.350 57.983 56.400 0.389 0.000 0.801 894 E CB -0.151 29.733 29.700 0.306 0.000 0.746 894 E HN 0.061 nan 8.360 nan 0.000 0.450 895 K N 0.577 121.084 120.400 0.180 0.000 2.286 895 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 895 K C 1.768 178.404 176.600 0.059 0.000 1.045 895 K CA 1.190 57.546 56.287 0.115 0.000 0.935 895 K CB 0.048 32.599 32.500 0.086 0.000 0.737 895 K HN -0.001 nan 8.250 nan 0.000 0.460 896 R N -1.754 118.783 120.500 0.062 0.000 2.335 896 R HA 0.101 4.441 4.340 -0.000 0.000 0.210 896 R C 0.557 176.705 176.300 -0.254 0.000 0.892 896 R CA 0.456 56.512 56.100 -0.074 0.000 1.048 896 R CB 0.542 30.823 30.300 -0.030 0.000 1.067 896 R HN 0.217 nan 8.270 nan 0.000 0.524 897 Y N -1.388 118.812 120.300 -0.167 0.000 2.476 897 Y HA 0.285 4.834 4.550 -0.000 0.000 0.261 897 Y C 0.288 176.276 175.900 0.146 0.000 1.077 897 Y CA -0.701 57.334 58.100 -0.108 0.000 1.240 897 Y CB 0.448 38.689 38.460 -0.364 0.000 1.317 897 Y HN -0.268 nan 8.280 nan 0.000 0.540 898 R N 1.791 122.491 120.500 0.334 0.000 2.220 898 R HA 0.433 4.773 4.340 -0.000 0.000 0.340 898 R C -1.321 175.017 176.300 0.064 0.000 1.076 898 R CA -0.177 56.023 56.100 0.167 0.000 0.920 898 R CB -0.127 30.171 30.300 -0.004 0.000 1.062 898 R HN -0.073 nan 8.270 nan 0.000 0.469 899 V N 5.425 125.365 119.914 0.044 0.000 2.348 899 V HA 0.187 4.307 4.120 -0.000 0.000 0.270 899 V C -0.161 175.920 176.094 -0.022 0.000 1.037 899 V CA -0.462 61.846 62.300 0.015 0.000 0.872 899 V CB 1.256 33.086 31.823 0.012 0.000 1.002 899 V HN 0.684 nan 8.190 nan 0.000 0.464 900 D N 5.006 125.399 120.400 -0.013 0.000 2.473 900 D HA 0.284 4.924 4.640 -0.000 0.000 0.226 900 D C 1.021 177.317 176.300 -0.007 0.000 1.089 900 D CA -0.318 53.660 54.000 -0.036 0.000 0.883 900 D CB 1.525 42.284 40.800 -0.069 0.000 1.029 900 D HN 0.390 nan 8.370 nan 0.000 0.517 901 L N 2.846 124.060 121.223 -0.015 0.000 2.012 901 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 901 L C 1.789 178.655 176.870 -0.008 0.000 1.073 901 L CA 1.210 56.043 54.840 -0.010 0.000 0.748 901 L CB -0.247 41.804 42.059 -0.014 0.000 0.891 901 L HN 0.484 nan 8.230 nan 0.000 0.431 902 L N -2.049 119.166 121.223 -0.013 0.000 2.645 902 L HA 0.241 4.581 4.340 -0.000 0.000 0.234 902 L C 0.203 177.070 176.870 -0.005 0.000 1.165 902 L CA 0.361 55.194 54.840 -0.011 0.000 0.944 902 L CB -1.026 41.023 42.059 -0.017 0.000 1.149 902 L HN 0.087 nan 8.230 nan 0.000 0.446 903 N N -0.577 118.129 118.700 0.009 0.000 2.448 903 N HA 0.200 4.940 4.740 -0.000 0.000 0.279 903 N C 0.745 176.285 175.510 0.050 0.000 1.025 903 N CA -0.190 52.881 53.050 0.035 0.000 0.898 903 N CB 1.514 40.031 38.487 0.051 0.000 1.303 903 N HN 0.011 nan 8.380 nan 0.000 0.495 904 T N 1.188 115.762 114.554 0.033 0.000 2.969 904 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 904 T C 0.244 174.949 174.700 0.008 0.000 1.127 904 T CA 1.382 63.492 62.100 0.016 0.000 1.102 904 T CB 0.116 68.989 68.868 0.008 0.000 0.855 904 T HN 0.510 nan 8.240 nan 0.000 0.536 905 D N 0.006 120.425 120.400 0.031 0.000 2.725 905 D HA 0.081 4.721 4.640 -0.000 0.000 0.269 905 D C 1.031 177.252 176.300 -0.131 0.000 1.018 905 D CA 0.666 54.628 54.000 -0.063 0.000 0.956 905 D CB -0.247 40.492 40.800 -0.102 0.000 1.141 905 D HN 0.418 nan 8.370 nan 0.000 0.478 906 H N -0.213 118.842 119.070 -0.025 0.000 2.610 906 H HA 0.353 4.909 4.556 -0.000 0.000 0.302 906 H C -0.274 175.034 175.328 -0.033 0.000 1.063 906 H CA 0.135 56.166 56.048 -0.029 0.000 1.159 906 H CB -0.316 29.425 29.762 -0.035 0.000 1.427 906 H HN -0.127 nan 8.280 nan 0.000 0.553 907 T N 1.803 116.383 114.554 0.045 0.000 2.922 907 T HA 0.303 4.653 4.350 -0.000 0.000 0.285 907 T C 0.461 175.156 174.700 -0.008 0.000 1.005 907 T CA -0.973 61.135 62.100 0.014 0.000 1.061 907 T CB 1.062 69.933 68.868 0.005 0.000 1.007 907 T HN 0.317 nan 8.240 nan 0.000 0.502 908 L N 0.749 121.963 121.223 -0.014 0.000 2.325 908 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 908 L C 0.097 176.953 176.870 -0.024 0.000 1.089 908 L CA -0.954 53.871 54.840 -0.025 0.000 0.836 908 L CB 0.080 42.121 42.059 -0.031 0.000 1.184 908 L HN 0.436 nan 8.230 nan 0.000 0.444 909 D N 5.949 126.332 120.400 -0.027 0.000 2.730 909 D HA -0.030 4.609 4.640 -0.000 0.000 0.225 909 D C -1.445 174.842 176.300 -0.020 0.000 1.107 909 D CA -1.084 52.902 54.000 -0.024 0.000 0.837 909 D CB 1.279 42.064 40.800 -0.025 0.000 1.171 909 D HN 0.455 nan 8.370 nan 0.000 0.498 910 P HA -0.153 nan 4.420 nan 0.000 0.223 910 P C 0.771 178.062 177.300 -0.014 0.000 1.140 910 P CA 1.257 64.347 63.100 -0.016 0.000 0.783 910 P CB 0.026 31.718 31.700 -0.013 0.000 0.759 911 S N -2.186 113.506 115.700 -0.013 0.000 2.634 911 S HA 0.133 4.603 4.470 -0.000 0.000 0.221 911 S C 1.092 175.686 174.600 -0.008 0.000 0.952 911 S CA -0.030 58.164 58.200 -0.009 0.000 0.930 911 S CB -0.933 62.263 63.200 -0.008 0.000 0.780 911 S HN 0.121 nan 8.310 nan 0.000 0.498 912 L N -0.577 120.637 121.223 -0.014 0.000 2.993 912 L HA 0.590 4.930 4.340 -0.000 0.000 0.264 912 L C -0.360 176.497 176.870 -0.022 0.000 1.154 912 L CA -0.203 54.627 54.840 -0.016 0.000 0.972 912 L CB 0.498 42.543 42.059 -0.022 0.000 1.373 912 L HN 0.264 nan 8.230 nan 0.000 0.564 913 L N -0.477 120.732 121.223 -0.023 0.000 2.445 913 L HA 0.359 4.699 4.340 -0.000 0.000 0.262 913 L C 0.829 177.685 176.870 -0.023 0.000 0.974 913 L CA -0.144 54.680 54.840 -0.028 0.000 0.822 913 L CB 2.266 44.304 42.059 -0.034 0.000 1.339 913 L HN -0.099 nan 8.230 nan 0.000 0.409 914 E N 0.665 120.851 120.200 -0.023 0.000 2.070 914 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 914 E C 1.384 177.973 176.600 -0.018 0.000 1.004 914 E CA 2.275 58.663 56.400 -0.019 0.000 0.805 914 E CB 0.255 29.943 29.700 -0.019 0.000 0.744 914 E HN 0.799 nan 8.360 nan 0.000 0.451 915 S N -0.613 115.074 115.700 -0.022 0.000 2.336 915 S HA 0.010 4.479 4.470 -0.000 0.000 0.214 915 S C 1.637 176.226 174.600 -0.019 0.000 1.032 915 S CA 0.878 59.065 58.200 -0.021 0.000 1.001 915 S CB -1.220 61.965 63.200 -0.025 0.000 0.953 915 S HN 0.643 nan 8.310 nan 0.000 0.430 916 G N 1.872 110.659 108.800 -0.021 0.000 2.690 916 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.334 916 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.334 916 G C 0.525 175.415 174.900 -0.016 0.000 1.250 916 G CA 1.135 46.224 45.100 -0.019 0.000 0.994 916 G HN 1.249 nan 8.290 nan 0.000 0.549 917 S N 1.214 116.906 115.700 -0.014 0.000 2.611 917 S HA 0.334 4.804 4.470 -0.000 0.000 0.252 917 S C 1.192 175.785 174.600 -0.012 0.000 1.369 917 S CA 1.747 59.940 58.200 -0.012 0.000 0.975 917 S CB 0.786 63.980 63.200 -0.011 0.000 0.937 917 S HN 2.572 nan 8.310 nan 0.000 0.584 918 E N -1.842 118.351 120.200 -0.011 0.000 3.146 918 E HA -0.247 4.103 4.350 -0.000 0.000 0.277 918 E C 0.234 176.827 176.600 -0.012 0.000 1.003 918 E CA 1.753 58.147 56.400 -0.011 0.000 0.861 918 E CB -1.749 27.945 29.700 -0.010 0.000 1.436 918 E HN 0.558 nan 8.360 nan 0.000 0.455 919 I N -0.740 119.822 120.570 -0.013 0.000 4.197 919 I HA 0.268 4.438 4.170 -0.000 0.000 0.307 919 I C 1.204 177.313 176.117 -0.013 0.000 1.236 919 I CA -0.322 60.969 61.300 -0.015 0.000 1.321 919 I CB 0.020 38.009 38.000 -0.018 0.000 1.309 919 I HN 0.248 nan 8.210 nan 0.000 0.450 920 L N 1.962 123.178 121.223 -0.012 0.000 2.640 920 L HA 0.216 4.556 4.340 -0.000 0.000 0.280 920 L C 1.039 177.904 176.870 -0.009 0.000 1.229 920 L CA 1.480 56.314 54.840 -0.010 0.000 0.919 920 L CB -0.152 41.902 42.059 -0.008 0.000 1.168 920 L HN 0.542 nan 8.230 nan 0.000 0.496 921 G N 3.133 111.927 108.800 -0.009 0.000 2.601 921 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.224 921 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.224 921 G C -0.422 174.472 174.900 -0.011 0.000 1.171 921 G CA -0.201 44.893 45.100 -0.010 0.000 1.009 921 G HN 1.003 nan 8.290 nan 0.000 0.589 922 D N -0.966 119.427 120.400 -0.010 0.000 10.791 922 D HA -0.116 4.524 4.640 -0.000 0.000 0.339 922 D C 0.938 177.231 176.300 -0.011 0.000 3.085 922 D CA 1.405 55.399 54.000 -0.010 0.000 2.681 922 D CB -0.645 40.148 40.800 -0.011 0.000 1.164 922 D HN 0.997 nan 8.370 nan 0.000 0.922 923 L N 2.836 124.053 121.223 -0.010 0.000 2.817 923 L HA 0.177 4.517 4.340 -0.000 0.000 0.248 923 L C 2.246 179.111 176.870 -0.008 0.000 1.133 923 L CA -0.301 54.534 54.840 -0.010 0.000 0.935 923 L CB 0.106 42.160 42.059 -0.009 0.000 1.266 923 L HN 0.221 nan 8.230 nan 0.000 0.535 924 K N 0.333 120.728 120.400 -0.008 0.000 2.334 924 K HA 0.224 4.544 4.320 -0.000 0.000 0.195 924 K C 1.715 178.311 176.600 -0.006 0.000 1.045 924 K CA 0.448 56.731 56.287 -0.006 0.000 1.004 924 K CB 0.583 33.080 32.500 -0.006 0.000 0.837 924 K HN 0.251 nan 8.250 nan 0.000 0.510 925 L N 0.260 121.478 121.223 -0.008 0.000 2.463 925 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 925 L C 1.835 178.701 176.870 -0.007 0.000 1.088 925 L CA 0.282 55.117 54.840 -0.009 0.000 0.849 925 L CB 0.069 42.120 42.059 -0.013 0.000 1.012 925 L HN 0.047 nan 8.230 nan 0.000 0.468 926 Q N 0.121 119.916 119.800 -0.009 0.000 2.466 926 Q HA 0.011 4.350 4.340 -0.000 0.000 0.210 926 Q C 1.791 177.788 176.000 -0.005 0.000 0.961 926 Q CA 0.519 56.317 55.803 -0.010 0.000 0.953 926 Q CB 0.534 29.262 28.738 -0.017 0.000 1.011 926 Q HN 0.347 nan 8.270 nan 0.000 0.516 927 V N -0.504 119.409 119.914 -0.001 0.000 2.795 927 V HA -0.083 4.037 4.120 -0.000 0.000 0.243 927 V C 1.970 178.070 176.094 0.011 0.000 1.069 927 V CA 0.713 63.016 62.300 0.004 0.000 1.089 927 V CB -0.040 31.784 31.823 0.001 0.000 0.756 927 V HN 0.253 nan 8.190 nan 0.000 0.471 928 L N -0.544 120.684 121.223 0.009 0.000 2.313 928 L HA 0.009 4.349 4.340 -0.000 0.000 0.214 928 L C 2.230 179.114 176.870 0.024 0.000 1.119 928 L CA 0.512 55.359 54.840 0.013 0.000 0.809 928 L CB -0.220 41.841 42.059 0.004 0.000 0.933 928 L HN 0.290 nan 8.230 nan 0.000 0.449 929 L N -0.259 120.977 121.223 0.022 0.000 2.162 929 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 929 L C 1.926 178.837 176.870 0.068 0.000 1.086 929 L CA 1.621 56.484 54.840 0.039 0.000 0.778 929 L CB -0.675 41.395 42.059 0.018 0.000 0.928 929 L HN 0.195 nan 8.230 nan 0.000 0.446 930 D N -0.115 120.311 120.400 0.044 0.000 2.144 930 D HA -0.218 4.422 4.640 -0.000 0.000 0.199 930 D C 2.011 178.369 176.300 0.096 0.000 0.984 930 D CA 0.952 54.989 54.000 0.061 0.000 0.834 930 D CB 0.309 41.124 40.800 0.024 0.000 0.955 930 D HN 0.249 nan 8.370 nan 0.000 0.465 931 E N 1.073 121.311 120.200 0.064 0.000 2.058 931 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 931 E C 1.867 178.509 176.600 0.071 0.000 0.997 931 E CA 1.398 57.831 56.400 0.055 0.000 0.801 931 E CB -0.162 29.557 29.700 0.032 0.000 0.746 931 E HN 0.342 nan 8.360 nan 0.000 0.450 932 E N -1.085 119.165 120.200 0.084 0.000 2.023 932 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 932 E C 2.094 178.769 176.600 0.125 0.000 1.003 932 E CA 1.436 57.891 56.400 0.092 0.000 0.809 932 E CB -0.427 29.332 29.700 0.099 0.000 0.755 932 E HN 0.473 nan 8.360 nan 0.000 0.449 933 Y N 1.192 121.524 120.300 0.053 0.000 2.274 933 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 933 Y C 2.405 178.349 175.900 0.074 0.000 1.145 933 Y CA 1.928 60.075 58.100 0.079 0.000 1.203 933 Y CB 0.057 38.562 38.460 0.075 0.000 0.984 933 Y HN -0.044 nan 8.280 nan 0.000 0.533 934 K N -0.128 120.398 120.400 0.210 0.000 2.026 934 K HA -0.302 4.017 4.320 -0.000 0.000 0.208 934 K C 2.222 178.836 176.600 0.023 0.000 1.048 934 K CA 1.842 58.200 56.287 0.118 0.000 0.929 934 K CB -0.187 32.367 32.500 0.091 0.000 0.713 934 K HN 0.284 nan 8.250 nan 0.000 0.439 935 Q N 0.927 120.736 119.800 0.015 0.000 2.135 935 Q HA -0.108 4.231 4.340 -0.000 0.000 0.204 935 Q C 1.834 177.805 176.000 -0.048 0.000 0.981 935 Q CA 1.544 57.335 55.803 -0.019 0.000 0.856 935 Q CB -0.099 28.631 28.738 -0.014 0.000 0.902 935 Q HN 0.396 nan 8.270 nan 0.000 0.425 936 L N -1.095 120.086 121.223 -0.069 0.000 2.217 936 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 936 L C 2.201 179.015 176.870 -0.093 0.000 1.107 936 L CA 0.448 55.236 54.840 -0.088 0.000 0.783 936 L CB -0.490 41.487 42.059 -0.136 0.000 0.919 936 L HN 0.099 nan 8.230 nan 0.000 0.442 937 V N 0.219 120.032 119.914 -0.168 0.000 2.283 937 V HA -0.228 3.892 4.120 -0.000 0.000 0.243 937 V C 2.559 178.577 176.094 -0.126 0.000 1.039 937 V CA 1.529 63.699 62.300 -0.217 0.000 1.016 937 V CB -0.379 31.339 31.823 -0.176 0.000 0.650 937 V HN 0.390 nan 8.190 nan 0.000 0.449 938 K N -0.492 119.868 120.400 -0.067 0.000 2.362 938 K HA -0.246 4.074 4.320 -0.000 0.000 0.202 938 K C 1.505 178.100 176.600 -0.007 0.000 1.045 938 K CA 1.611 57.880 56.287 -0.029 0.000 0.936 938 K CB -0.093 32.394 32.500 -0.021 0.000 0.747 938 K HN 0.482 nan 8.250 nan 0.000 0.467 939 D N -0.227 120.154 120.400 -0.033 0.000 2.146 939 D HA -0.069 4.571 4.640 -0.000 0.000 0.209 939 D C 1.825 178.150 176.300 0.042 0.000 0.973 939 D CA 0.660 54.658 54.000 -0.003 0.000 0.860 939 D CB -0.086 40.690 40.800 -0.039 0.000 1.015 939 D HN 0.102 nan 8.370 nan 0.000 0.465 940 R N 0.951 121.421 120.500 -0.050 0.000 2.133 940 R HA -0.204 4.136 4.340 -0.000 0.000 0.245 940 R C 1.960 178.240 176.300 -0.033 0.000 1.137 940 R CA 1.823 57.872 56.100 -0.084 0.000 0.947 940 R CB -0.052 30.056 30.300 -0.321 0.000 0.865 940 R HN 0.014 nan 8.270 nan 0.000 0.437 941 K N -0.744 119.626 120.400 -0.050 0.000 2.366 941 K HA -0.116 4.204 4.320 -0.000 0.000 0.198 941 K C 1.759 178.360 176.600 0.001 0.000 1.044 941 K CA 0.759 57.023 56.287 -0.037 0.000 0.973 941 K CB -0.056 32.409 32.500 -0.059 0.000 0.767 941 K HN 0.213 nan 8.250 nan 0.000 0.475 942 F N 0.900 120.799 119.950 -0.085 0.000 2.206 942 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 942 F C 1.410 177.146 175.800 -0.107 0.000 1.090 942 F CA 0.928 58.873 58.000 -0.092 0.000 1.323 942 F CB 0.131 39.079 39.000 -0.087 0.000 1.028 942 F HN -0.089 nan 8.300 nan 0.000 0.492 943 L N 0.222 121.555 121.223 0.182 0.000 1.988 943 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 943 L C 2.562 179.410 176.870 -0.038 0.000 1.071 943 L CA 1.357 56.256 54.840 0.099 0.000 0.744 943 L CB -0.786 41.402 42.059 0.215 0.000 0.893 943 L HN -0.033 nan 8.230 nan 0.000 0.433 944 R N -0.073 120.442 120.500 0.025 0.000 2.261 944 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 944 R C 2.043 178.313 176.300 -0.049 0.000 1.141 944 R CA 1.188 57.324 56.100 0.060 0.000 1.001 944 R CB -0.207 30.147 30.300 0.091 0.000 0.866 944 R HN 0.464 nan 8.270 nan 0.000 0.468 945 E N -0.204 119.886 120.200 -0.184 0.000 2.112 945 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 945 E C 1.744 178.119 176.600 -0.375 0.000 0.979 945 E CA 0.571 56.806 56.400 -0.274 0.000 0.814 945 E CB 0.366 29.854 29.700 -0.354 0.000 0.762 945 E HN 0.066 nan 8.360 nan 0.000 0.460 946 V N 0.180 119.767 119.914 -0.544 0.000 2.283 946 V HA -0.088 4.032 4.120 -0.000 0.000 0.239 946 V C 0.531 176.253 176.094 -0.620 0.000 1.035 946 V CA 1.075 62.952 62.300 -0.704 0.000 1.018 946 V CB -0.127 31.093 31.823 -1.007 0.000 0.658 946 V HN 0.150 nan 8.190 nan 0.000 0.459 947 F N 0.434 120.248 119.950 -0.226 0.000 2.515 947 F HA 0.228 4.755 4.527 -0.000 0.000 0.353 947 F C 1.121 176.893 175.800 -0.046 0.000 1.213 947 F CA -0.366 57.547 58.000 -0.144 0.000 1.194 947 F CB 0.273 39.220 39.000 -0.089 0.000 1.488 947 F HN -0.114 nan 8.300 nan 0.000 0.619 948 V N 0.923 120.885 119.914 0.080 0.000 2.913 948 V HA -0.238 3.882 4.120 -0.000 0.000 0.260 948 V C 1.308 177.488 176.094 0.142 0.000 1.098 948 V CA 1.483 63.834 62.300 0.086 0.000 1.121 948 V CB -0.627 31.203 31.823 0.012 0.000 0.714 948 V HN 0.582 nan 8.190 nan 0.000 0.487 949 D N 1.074 121.564 120.400 0.149 0.000 2.117 949 D HA 0.036 4.676 4.640 -0.000 0.000 0.197 949 D C 2.000 178.281 176.300 -0.032 0.000 0.987 949 D CA 1.925 55.983 54.000 0.098 0.000 0.829 949 D CB -0.300 40.598 40.800 0.163 0.000 0.961 949 D HN 0.498 nan 8.370 nan 0.000 0.460 950 G N 0.218 108.925 108.800 -0.154 0.000 2.195 950 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.246 950 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.246 950 G C 0.230 174.893 174.900 -0.395 0.000 0.984 950 G CA 0.264 44.920 45.100 -0.740 0.000 0.633 950 G HN 0.394 nan 8.290 nan 0.000 0.525 951 E N 0.898 121.006 120.200 -0.153 0.000 2.351 951 E HA 0.639 4.989 4.350 -0.000 0.000 0.266 951 E C 1.370 177.890 176.600 -0.134 0.000 1.031 951 E CA 0.869 57.157 56.400 -0.186 0.000 0.911 951 E CB 0.710 30.253 29.700 -0.261 0.000 0.986 951 E HN 0.648 nan 8.360 nan 0.000 0.446 952 A N 4.917 127.629 122.820 -0.181 0.000 2.081 952 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 952 A C 0.082 177.604 177.584 -0.104 0.000 1.158 952 A CA 0.065 52.057 52.037 -0.075 0.000 0.724 952 A CB -0.046 18.924 19.000 -0.050 0.000 0.826 952 A HN 0.608 nan 8.150 nan 0.000 0.463 953 N N -0.049 118.439 118.700 -0.353 0.000 2.462 953 N HA 0.398 5.137 4.740 -0.000 0.000 0.242 953 N C -1.635 173.482 175.510 -0.655 0.000 1.010 953 N CA 0.117 52.953 53.050 -0.356 0.000 0.939 953 N CB 0.322 38.623 38.487 -0.311 0.000 1.127 953 N HN 0.454 nan 8.380 nan 0.000 0.509 954 W N 1.568 122.777 121.300 -0.153 0.000 2.957 954 W HA 0.343 5.003 4.660 -0.000 0.000 0.336 954 W C -2.265 174.259 176.519 0.010 0.000 1.087 954 W CA -2.075 55.189 57.345 -0.135 0.000 1.235 954 W CB 1.660 30.957 29.460 -0.272 0.000 1.399 954 W HN 0.309 nan 8.180 nan 0.000 0.480 955 P HA -0.020 nan 4.420 nan 0.000 0.247 955 P C -0.691 176.766 177.300 0.260 0.000 1.147 955 P CA 1.019 64.283 63.100 0.273 0.000 0.964 955 P CB 0.024 31.921 31.700 0.329 0.000 0.944 956 L N 6.130 127.496 121.223 0.237 0.000 2.388 956 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 956 L C -2.263 174.734 176.870 0.212 0.000 0.998 956 L CA -2.920 52.071 54.840 0.251 0.000 0.817 956 L CB 2.616 44.872 42.059 0.328 0.000 1.338 956 L HN 0.048 nan 8.230 nan 0.000 0.414 957 P HA 0.006 nan 4.420 nan 0.000 0.269 957 P C -0.910 176.454 177.300 0.106 0.000 1.211 957 P CA 0.030 63.120 63.100 -0.018 0.000 0.781 957 P CB 0.311 31.797 31.700 -0.357 0.000 0.877 958 V N -0.233 119.709 119.914 0.047 0.000 3.927 958 V HA -0.241 3.878 4.120 -0.000 0.000 0.495 958 V C 0.523 176.727 176.094 0.183 0.000 0.682 958 V CA 0.286 62.651 62.300 0.109 0.000 1.978 958 V CB -1.444 30.459 31.823 0.133 0.000 2.375 958 V HN 0.771 nan 8.190 nan 0.000 0.506 959 N N 4.088 122.849 118.700 0.100 0.000 2.420 959 N HA 0.337 5.077 4.740 -0.000 0.000 0.262 959 N C 0.688 176.237 175.510 0.065 0.000 1.144 959 N CA -0.035 53.068 53.050 0.088 0.000 0.952 959 N CB 0.979 39.492 38.487 0.044 0.000 1.081 959 N HN 0.653 nan 8.380 nan 0.000 0.480 960 I N 2.957 123.570 120.570 0.072 0.000 2.703 960 I HA -0.031 4.139 4.170 -0.000 0.000 0.259 960 I C 2.229 178.336 176.117 -0.017 0.000 1.151 960 I CA 0.143 61.455 61.300 0.021 0.000 1.470 960 I CB -0.025 37.990 38.000 0.025 0.000 1.112 960 I HN 0.477 nan 8.210 nan 0.000 0.437 961 R N 1.130 121.641 120.500 0.020 0.000 2.133 961 R HA -0.193 4.147 4.340 -0.000 0.000 0.245 961 R C 2.265 178.558 176.300 -0.013 0.000 1.137 961 R CA 1.923 58.034 56.100 0.017 0.000 0.947 961 R CB -0.180 30.154 30.300 0.056 0.000 0.865 961 R HN 0.228 nan 8.270 nan 0.000 0.437 962 R N -0.722 119.782 120.500 0.008 0.000 2.200 962 R HA 0.117 4.457 4.340 -0.000 0.000 0.208 962 R C 2.191 178.500 176.300 0.015 0.000 1.033 962 R CA 0.716 56.828 56.100 0.018 0.000 1.000 962 R CB 0.011 30.339 30.300 0.047 0.000 0.906 962 R HN 0.298 nan 8.270 nan 0.000 0.462 963 I N 0.657 121.220 120.570 -0.010 0.000 2.546 963 I HA -0.217 3.953 4.170 -0.000 0.000 0.255 963 I C 1.692 177.815 176.117 0.009 0.000 1.163 963 I CA 0.812 62.102 61.300 -0.016 0.000 1.457 963 I CB 0.070 38.008 38.000 -0.105 0.000 1.092 963 I HN 0.114 nan 8.210 nan 0.000 0.434 964 I N 0.428 120.937 120.570 -0.102 0.000 2.333 964 I HA -0.227 3.943 4.170 -0.000 0.000 0.246 964 I C 2.447 178.493 176.117 -0.119 0.000 1.106 964 I CA 1.434 62.616 61.300 -0.198 0.000 1.411 964 I CB -1.186 36.474 38.000 -0.567 0.000 1.082 964 I HN 0.300 nan 8.210 nan 0.000 0.420 965 Q N 0.060 119.780 119.800 -0.133 0.000 2.170 965 Q HA -0.211 4.129 4.340 -0.000 0.000 0.203 965 Q C 1.733 177.572 176.000 -0.269 0.000 0.976 965 Q CA 1.274 56.936 55.803 -0.236 0.000 0.858 965 Q CB -0.194 28.355 28.738 -0.316 0.000 0.907 965 Q HN 0.378 nan 8.270 nan 0.000 0.433 966 N N -0.302 118.378 118.700 -0.033 0.000 2.494 966 N HA -0.020 4.719 4.740 -0.000 0.000 0.182 966 N C 0.913 176.563 175.510 0.233 0.000 1.076 966 N CA 0.846 53.991 53.050 0.159 0.000 0.908 966 N CB 0.202 38.881 38.487 0.319 0.000 0.967 966 N HN 0.263 nan 8.380 nan 0.000 0.449 967 A N 0.381 123.358 122.820 0.263 0.000 1.909 967 A HA -0.012 4.308 4.320 -0.000 0.000 0.209 967 A C 1.590 179.265 177.584 0.153 0.000 1.247 967 A CA 0.464 52.675 52.037 0.289 0.000 0.660 967 A CB -0.466 18.765 19.000 0.386 0.000 0.910 967 A HN 0.470 nan 8.150 nan 0.000 0.465 968 Q N -0.011 119.821 119.800 0.053 0.000 2.344 968 Q HA 0.010 4.350 4.340 -0.000 0.000 0.212 968 Q C 0.958 176.946 176.000 -0.019 0.000 0.943 968 Q CA 1.012 56.831 55.803 0.026 0.000 0.955 968 Q CB -0.183 28.576 28.738 0.035 0.000 1.000 968 Q HN 0.797 nan 8.270 nan 0.000 0.488 969 Q N -2.036 117.718 119.800 -0.077 0.000 2.215 969 Q HA 0.173 4.513 4.340 -0.000 0.000 0.257 969 Q C 1.116 176.885 176.000 -0.385 0.000 0.792 969 Q CA 0.418 56.118 55.803 -0.171 0.000 0.958 969 Q CB -0.107 28.609 28.738 -0.036 0.000 1.158 969 Q HN 0.104 nan 8.270 nan 0.000 0.490 970 T N 0.052 114.420 114.554 -0.311 0.000 2.995 970 T HA 0.120 4.470 4.350 -0.000 0.000 0.269 970 T C -0.119 174.101 174.700 -0.800 0.000 1.091 970 T CA 0.935 62.686 62.100 -0.580 0.000 1.128 970 T CB -0.116 68.305 68.868 -0.746 0.000 0.891 970 T HN 0.308 nan 8.240 nan 0.000 0.492 971 F N 0.049 119.792 119.950 -0.345 0.000 2.764 971 F HA 0.319 4.846 4.527 -0.000 0.000 0.310 971 F C 0.301 176.036 175.800 -0.109 0.000 1.124 971 F CA -1.069 56.801 58.000 -0.216 0.000 1.252 971 F CB -0.197 38.698 39.000 -0.175 0.000 1.010 971 F HN 0.077 nan 8.300 nan 0.000 0.518 972 H N 1.382 120.482 119.070 0.050 0.000 1.968 972 H HA -0.210 4.346 4.556 -0.000 0.000 0.317 972 H C 0.016 175.357 175.328 0.021 0.000 0.854 972 H CA 0.335 56.398 56.048 0.025 0.000 1.048 972 H CB -0.745 29.019 29.762 0.003 0.000 1.569 972 H HN 0.258 nan 8.280 nan 0.000 0.301 973 I N 3.559 124.177 120.570 0.079 0.000 2.315 973 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 973 I C 0.025 176.087 176.117 -0.091 0.000 1.006 973 I CA -0.867 60.430 61.300 -0.006 0.000 1.265 973 I CB 0.735 38.708 38.000 -0.046 0.000 1.387 973 I HN 0.212 nan 8.210 nan 0.000 0.475 974 D N 6.070 126.444 120.400 -0.043 0.000 2.351 974 D HA 0.020 4.660 4.640 -0.000 0.000 0.251 974 D C 0.479 176.738 176.300 -0.068 0.000 1.137 974 D CA 0.089 54.073 54.000 -0.026 0.000 0.879 974 D CB 0.401 41.215 40.800 0.022 0.000 1.181 974 D HN 0.525 nan 8.370 nan 0.000 0.448 975 H N 1.095 120.190 119.070 0.042 0.000 2.611 975 H HA 0.017 4.573 4.556 -0.000 0.000 0.283 975 H C 0.746 176.085 175.328 0.019 0.000 1.075 975 H CA 0.904 56.971 56.048 0.032 0.000 1.184 975 H CB -0.185 29.597 29.762 0.033 0.000 1.294 975 H HN 0.635 nan 8.280 nan 0.000 0.619 976 T N -3.638 110.965 114.554 0.082 0.000 2.993 976 T HA 0.149 4.499 4.350 -0.000 0.000 0.260 976 T C 0.697 175.413 174.700 0.026 0.000 0.939 976 T CA -0.377 61.755 62.100 0.053 0.000 0.886 976 T CB 1.032 69.928 68.868 0.047 0.000 1.209 976 T HN -0.029 nan 8.240 nan 0.000 0.518 977 K N 2.955 123.364 120.400 0.015 0.000 2.265 977 K HA 0.504 4.824 4.320 -0.000 0.000 0.267 977 K C -2.773 173.826 176.600 -0.002 0.000 0.994 977 K CA -1.902 54.388 56.287 0.005 0.000 0.860 977 K CB 1.567 34.069 32.500 0.005 0.000 1.099 977 K HN 0.146 nan 8.250 nan 0.000 0.448 978 P HA -0.036 nan 4.420 nan 0.000 0.269 978 P C 0.059 177.351 177.300 -0.013 0.000 1.217 978 P CA -0.120 62.976 63.100 -0.008 0.000 0.783 978 P CB 0.629 32.324 31.700 -0.009 0.000 0.898 979 S N 0.607 116.295 115.700 -0.019 0.000 2.633 979 S HA 0.135 4.604 4.470 -0.000 0.000 0.257 979 S C 0.251 174.835 174.600 -0.027 0.000 1.265 979 S CA 0.008 58.192 58.200 -0.026 0.000 0.980 979 S CB -0.093 63.086 63.200 -0.036 0.000 1.017 979 S HN 0.613 nan 8.310 nan 0.000 0.577 980 D N 0.590 120.971 120.400 -0.032 0.000 2.760 980 D HA 0.260 4.900 4.640 -0.000 0.000 0.314 980 D C -0.386 175.890 176.300 -0.039 0.000 1.464 980 D CA -0.212 53.771 54.000 -0.028 0.000 0.797 980 D CB -0.804 39.985 40.800 -0.017 0.000 1.149 980 D HN 0.291 nan 8.370 nan 0.000 0.455 981 L N 0.025 121.212 121.223 -0.060 0.000 2.331 981 L HA 0.627 4.967 4.340 -0.000 0.000 0.268 981 L C 0.400 177.224 176.870 -0.077 0.000 1.015 981 L CA -0.630 54.159 54.840 -0.086 0.000 0.807 981 L CB 1.844 43.813 42.059 -0.150 0.000 1.293 981 L HN -0.161 nan 8.230 nan 0.000 0.451 982 T N -0.397 114.108 114.554 -0.082 0.000 2.925 982 T HA 0.358 4.708 4.350 -0.000 0.000 0.285 982 T C 1.444 176.091 174.700 -0.088 0.000 1.021 982 T CA -0.710 61.350 62.100 -0.068 0.000 1.042 982 T CB 1.685 70.524 68.868 -0.048 0.000 1.037 982 T HN 0.295 nan 8.240 nan 0.000 0.481 983 I N 0.858 121.386 120.570 -0.069 0.000 2.399 983 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 983 I C 2.272 178.348 176.117 -0.068 0.000 1.146 983 I CA 1.563 62.821 61.300 -0.069 0.000 1.412 983 I CB -0.874 37.099 38.000 -0.044 0.000 1.076 983 I HN 0.730 nan 8.210 nan 0.000 0.432 984 K N 0.736 121.103 120.400 -0.056 0.000 2.002 984 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 984 K C 1.706 178.270 176.600 -0.061 0.000 1.048 984 K CA 1.684 57.944 56.287 -0.044 0.000 0.930 984 K CB -0.164 32.319 32.500 -0.029 0.000 0.714 984 K HN 0.254 nan 8.250 nan 0.000 0.438 985 D N 0.987 121.337 120.400 -0.084 0.000 2.133 985 D HA -0.206 4.434 4.640 -0.000 0.000 0.192 985 D C 1.896 178.088 176.300 -0.180 0.000 1.001 985 D CA 1.287 55.226 54.000 -0.102 0.000 0.844 985 D CB -0.364 40.361 40.800 -0.127 0.000 0.944 985 D HN 0.242 nan 8.370 nan 0.000 0.447 986 I N 0.015 120.409 120.570 -0.294 0.000 2.141 986 I HA -0.197 3.972 4.170 -0.000 0.000 0.236 986 I C 2.513 178.573 176.117 -0.095 0.000 1.071 986 I CA 0.653 61.740 61.300 -0.356 0.000 1.345 986 I CB -0.354 37.444 38.000 -0.337 0.000 1.066 986 I HN -0.105 nan 8.210 nan 0.000 0.406 987 V N 0.763 120.638 119.914 -0.065 0.000 2.323 987 V HA -0.235 3.884 4.120 -0.000 0.000 0.244 987 V C 2.315 178.413 176.094 0.006 0.000 1.041 987 V CA 1.646 63.938 62.300 -0.013 0.000 1.025 987 V CB -0.201 31.615 31.823 -0.011 0.000 0.656 987 V HN 0.348 nan 8.190 nan 0.000 0.451 988 L N -0.012 121.210 121.223 -0.001 0.000 2.179 988 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 988 L C 2.347 179.235 176.870 0.031 0.000 1.096 988 L CA 1.565 56.411 54.840 0.010 0.000 0.779 988 L CB -0.683 41.378 42.059 0.004 0.000 0.922 988 L HN 0.362 nan 8.230 nan 0.000 0.443 989 G N -0.664 108.165 108.800 0.048 0.000 2.476 989 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 989 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 989 G C 1.437 176.417 174.900 0.134 0.000 1.164 989 G CA 1.230 46.403 45.100 0.122 0.000 0.768 989 G HN 0.296 nan 8.290 nan 0.000 0.560 990 V N 0.895 120.890 119.914 0.135 0.000 2.307 990 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 990 V C 2.593 178.708 176.094 0.035 0.000 1.045 990 V CA 2.100 64.457 62.300 0.095 0.000 1.024 990 V CB -0.522 31.357 31.823 0.095 0.000 0.651 990 V HN 0.304 nan 8.190 nan 0.000 0.449 991 K N 0.670 121.087 120.400 0.027 0.000 2.218 991 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 991 K C 1.571 178.172 176.600 0.002 0.000 1.046 991 K CA 1.776 58.067 56.287 0.007 0.000 0.933 991 K CB -0.478 32.026 32.500 0.007 0.000 0.728 991 K HN 0.513 nan 8.250 nan 0.000 0.454 992 D N -0.621 119.787 120.400 0.013 0.000 2.194 992 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 992 D C 1.637 177.932 176.300 -0.009 0.000 0.964 992 D CA 0.586 54.589 54.000 0.006 0.000 0.846 992 D CB -0.066 40.747 40.800 0.021 0.000 0.962 992 D HN 0.151 nan 8.370 nan 0.000 0.490 993 L N 0.850 122.067 121.223 -0.010 0.000 2.023 993 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 993 L C 1.958 178.788 176.870 -0.067 0.000 1.073 993 L CA 1.636 56.452 54.840 -0.039 0.000 0.745 993 L CB -0.550 41.485 42.059 -0.040 0.000 0.900 993 L HN -0.080 nan 8.230 nan 0.000 0.435 994 Q N -0.453 119.312 119.800 -0.058 0.000 2.268 994 Q HA -0.250 4.090 4.340 -0.000 0.000 0.210 994 Q C 1.949 177.903 176.000 -0.077 0.000 0.988 994 Q CA 1.572 57.330 55.803 -0.074 0.000 0.883 994 Q CB -0.264 28.442 28.738 -0.053 0.000 0.911 994 Q HN 0.559 nan 8.270 nan 0.000 0.430 995 E N 0.919 121.085 120.200 -0.056 0.000 2.110 995 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 995 E C 0.988 177.555 176.600 -0.055 0.000 0.988 995 E CA 0.956 57.328 56.400 -0.046 0.000 0.804 995 E CB -0.078 29.604 29.700 -0.029 0.000 0.745 995 E HN 0.574 nan 8.360 nan 0.000 0.458 996 N N 0.206 118.864 118.700 -0.070 0.000 2.338 996 N HA 0.028 4.767 4.740 -0.000 0.000 0.251 996 N C 0.271 175.713 175.510 -0.113 0.000 1.199 996 N CA -0.035 52.973 53.050 -0.069 0.000 0.879 996 N CB -0.016 38.444 38.487 -0.044 0.000 1.159 996 N HN 0.050 nan 8.380 nan 0.000 0.514 997 L N 1.363 122.464 121.223 -0.204 0.000 2.672 997 L HA 0.220 4.560 4.340 -0.000 0.000 0.238 997 L C 0.007 176.760 176.870 -0.195 0.000 1.392 997 L CA -0.297 54.296 54.840 -0.412 0.000 1.238 997 L CB -0.370 41.191 42.059 -0.830 0.000 1.548 997 L HN 0.006 nan 8.230 nan 0.000 0.423 998 L N 0.423 121.625 121.223 -0.035 0.000 2.492 998 L HA 0.018 4.358 4.340 -0.000 0.000 0.280 998 L C 1.102 178.052 176.870 0.133 0.000 1.240 998 L CA 0.574 55.435 54.840 0.035 0.000 0.831 998 L CB 1.089 43.164 42.059 0.026 0.000 1.100 998 L HN 0.143 nan 8.230 nan 0.000 0.505 999 V N 1.305 121.281 119.914 0.104 0.000 3.415 999 V HA 0.218 4.338 4.120 -0.000 0.000 0.204 999 V C 0.231 176.362 176.094 0.061 0.000 1.365 999 V CA -0.079 62.281 62.300 0.099 0.000 1.310 999 V CB 0.841 32.739 31.823 0.125 0.000 1.231 999 V HN 0.457 nan 8.190 nan 0.000 0.538 1000 L N 0.814 122.072 121.223 0.059 0.000 2.295 1000 L HA 0.468 4.807 4.340 -0.000 0.000 0.285 1000 L C 1.015 177.910 176.870 0.042 0.000 1.035 1000 L CA -0.061 54.811 54.840 0.053 0.000 0.806 1000 L CB 1.839 43.932 42.059 0.058 0.000 1.214 1000 L HN 0.118 nan 8.230 nan 0.000 0.426 1001 R N 2.086 122.610 120.500 0.040 0.000 2.206 1001 R HA 0.188 4.527 4.340 -0.000 0.000 0.198 1001 R C 0.848 177.164 176.300 0.026 0.000 0.986 1001 R CA 0.358 56.477 56.100 0.031 0.000 1.029 1001 R CB 0.142 30.461 30.300 0.031 0.000 0.966 1001 R HN 0.764 nan 8.270 nan 0.000 0.487 1002 G N 0.555 109.374 108.800 0.031 0.000 2.464 1002 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.231 1002 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.231 1002 G C -0.021 174.890 174.900 0.018 0.000 1.267 1002 G CA -0.113 45.003 45.100 0.027 0.000 0.863 1002 G HN 0.294 nan 8.290 nan 0.000 0.559 1003 K N 0.208 120.617 120.400 0.015 0.000 2.358 1003 K HA 0.044 4.364 4.320 -0.000 0.000 0.197 1003 K C 1.266 177.870 176.600 0.007 0.000 1.025 1003 K CA 0.038 56.331 56.287 0.009 0.000 1.104 1003 K CB 0.029 32.533 32.500 0.008 0.000 0.855 1003 K HN 0.762 nan 8.250 nan 0.000 0.531 1004 N N -0.409 118.296 118.700 0.009 0.000 2.328 1004 N HA -0.075 4.665 4.740 -0.000 0.000 0.277 1004 N C 0.918 176.429 175.510 0.002 0.000 1.286 1004 N CA -0.177 52.876 53.050 0.006 0.000 0.949 1004 N CB 0.298 38.789 38.487 0.007 0.000 1.136 1004 N HN -0.178 nan 8.380 nan 0.000 0.550 1005 E N -0.526 119.674 120.200 -0.001 0.000 1.999 1005 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 1005 E C 1.768 178.363 176.600 -0.009 0.000 0.995 1005 E CA 1.691 58.088 56.400 -0.006 0.000 0.825 1005 E CB -0.410 29.285 29.700 -0.008 0.000 0.777 1005 E HN 0.667 nan 8.360 nan 0.000 0.459 1006 I N -0.127 120.435 120.570 -0.013 0.000 2.454 1006 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 1006 I C 1.866 177.972 176.117 -0.017 0.000 1.156 1006 I CA 1.171 62.457 61.300 -0.023 0.000 1.433 1006 I CB -1.006 36.972 38.000 -0.036 0.000 1.082 1006 I HN 0.112 nan 8.210 nan 0.000 0.432 1007 I N 1.529 122.097 120.570 -0.002 0.000 2.090 1007 I HA -0.221 3.948 4.170 -0.000 0.000 0.236 1007 I C 2.715 178.836 176.117 0.008 0.000 1.064 1007 I CA 1.452 62.758 61.300 0.010 0.000 1.324 1007 I CB -1.268 36.744 38.000 0.020 0.000 1.044 1007 I HN 0.344 nan 8.210 nan 0.000 0.399 1008 Q N 0.230 120.033 119.800 0.004 0.000 2.439 1008 Q HA -0.179 4.161 4.340 -0.000 0.000 0.211 1008 Q C 1.631 177.628 176.000 -0.005 0.000 0.978 1008 Q CA 0.814 56.618 55.803 0.001 0.000 0.897 1008 Q CB -0.408 28.330 28.738 -0.001 0.000 0.956 1008 Q HN 0.454 nan 8.270 nan 0.000 0.483 1009 N N -0.216 118.479 118.700 -0.010 0.000 2.415 1009 N HA 0.031 4.770 4.740 -0.000 0.000 0.176 1009 N C 1.101 176.601 175.510 -0.017 0.000 1.042 1009 N CA 0.812 53.852 53.050 -0.016 0.000 0.902 1009 N CB 0.305 38.779 38.487 -0.022 0.000 0.986 1009 N HN 0.189 nan 8.380 nan 0.000 0.447 1010 A N -0.107 122.706 122.820 -0.012 0.000 2.063 1010 A HA 0.014 4.333 4.320 -0.000 0.000 0.211 1010 A C 1.971 179.564 177.584 0.015 0.000 1.177 1010 A CA 0.655 52.689 52.037 -0.006 0.000 0.759 1010 A CB -0.276 18.717 19.000 -0.010 0.000 0.857 1010 A HN 0.270 nan 8.150 nan 0.000 0.468 1011 Q N 0.867 120.678 119.800 0.018 0.000 2.135 1011 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 1011 Q C 1.991 178.002 176.000 0.019 0.000 0.981 1011 Q CA 2.323 58.142 55.803 0.027 0.000 0.856 1011 Q CB -0.414 28.338 28.738 0.022 0.000 0.902 1011 Q HN 0.623 nan 8.270 nan 0.000 0.425 1012 R N -0.578 119.924 120.500 0.002 0.000 2.075 1012 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 1012 R C 1.094 177.386 176.300 -0.014 0.000 1.114 1012 R CA 1.494 57.587 56.100 -0.011 0.000 0.972 1012 R CB -0.073 30.213 30.300 -0.023 0.000 0.869 1012 R HN 0.312 nan 8.270 nan 0.000 0.437 1013 D N 0.166 120.561 120.400 -0.009 0.000 2.224 1013 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 1013 D C 1.432 177.740 176.300 0.013 0.000 0.965 1013 D CA 1.094 55.089 54.000 -0.008 0.000 0.852 1013 D CB 0.074 40.872 40.800 -0.004 0.000 0.947 1013 D HN 0.340 nan 8.370 nan 0.000 0.494 1014 A N -0.057 122.782 122.820 0.031 0.000 2.066 1014 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 1014 A C 1.924 179.563 177.584 0.091 0.000 1.157 1014 A CA 0.753 52.824 52.037 0.057 0.000 0.670 1014 A CB 0.133 19.173 19.000 0.066 0.000 0.804 1014 A HN 0.171 nan 8.150 nan 0.000 0.453 1015 V N -1.328 118.639 119.914 0.088 0.000 3.528 1015 V HA -0.026 4.094 4.120 -0.000 0.000 0.294 1015 V C 2.030 178.186 176.094 0.103 0.000 1.404 1015 V CA 1.076 63.465 62.300 0.148 0.000 1.065 1015 V CB -0.514 31.375 31.823 0.110 0.000 0.904 1015 V HN 0.455 nan 8.190 nan 0.000 0.435 1016 T N 1.229 115.789 114.554 0.011 0.000 2.685 1016 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 1016 T C 1.813 176.447 174.700 -0.109 0.000 1.034 1016 T CA 2.124 64.162 62.100 -0.102 0.000 1.149 1016 T CB -0.166 68.607 68.868 -0.159 0.000 0.860 1016 T HN 0.339 nan 8.240 nan 0.000 0.449 1017 L N -0.440 120.786 121.223 0.005 0.000 1.993 1017 L HA 0.047 4.387 4.340 -0.000 0.000 0.206 1017 L C 2.252 179.192 176.870 0.118 0.000 1.074 1017 L CA 1.280 56.157 54.840 0.061 0.000 0.746 1017 L CB -0.404 41.722 42.059 0.112 0.000 0.896 1017 L HN 0.186 nan 8.230 nan 0.000 0.435 1018 F N 0.445 120.437 119.950 0.069 0.000 2.141 1018 F HA -0.369 4.158 4.527 -0.000 0.000 0.300 1018 F C 2.428 178.262 175.800 0.057 0.000 1.079 1018 F CA 1.876 59.939 58.000 0.105 0.000 1.264 1018 F CB -0.714 38.403 39.000 0.194 0.000 1.011 1018 F HN 0.215 nan 8.300 nan 0.000 0.487 1019 C N -0.486 118.760 119.300 -0.090 0.000 2.440 1019 C HA -0.171 4.289 4.460 -0.000 0.000 0.278 1019 C C 2.964 177.835 174.990 -0.198 0.000 1.295 1019 C CA 0.846 59.745 59.018 -0.200 0.000 1.738 1019 C CB -1.987 25.698 27.740 -0.091 0.000 1.987 1019 C HN 0.698 nan 8.230 nan 0.000 0.492 1020 C N 0.729 119.947 119.300 -0.137 0.000 2.419 1020 C HA -0.059 4.401 4.460 -0.000 0.000 0.281 1020 C C 2.522 177.476 174.990 -0.060 0.000 1.336 1020 C CA 0.586 59.550 59.018 -0.089 0.000 1.770 1020 C CB -1.727 25.977 27.740 -0.060 0.000 1.929 1020 C HN 0.662 nan 8.230 nan 0.000 0.509 1021 L N 0.930 122.089 121.223 -0.106 0.000 2.005 1021 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 1021 L C 2.347 179.128 176.870 -0.149 0.000 1.072 1021 L CA 1.735 56.516 54.840 -0.098 0.000 0.744 1021 L CB -0.953 41.026 42.059 -0.133 0.000 0.895 1021 L HN 0.200 nan 8.230 nan 0.000 0.433 1022 L N 0.235 121.262 121.223 -0.328 0.000 1.989 1022 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 1022 L C 2.753 179.567 176.870 -0.095 0.000 1.071 1022 L CA 1.945 56.619 54.840 -0.276 0.000 0.749 1022 L CB -0.871 40.943 42.059 -0.408 0.000 0.890 1022 L HN 0.309 nan 8.230 nan 0.000 0.431 1023 R N -0.778 119.677 120.500 -0.075 0.000 2.127 1023 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 1023 R C 2.362 178.708 176.300 0.076 0.000 1.134 1023 R CA 1.517 57.616 56.100 -0.002 0.000 0.975 1023 R CB -0.490 29.798 30.300 -0.020 0.000 0.865 1023 R HN 0.676 nan 8.270 nan 0.000 0.447 1024 S N -0.420 115.338 115.700 0.097 0.000 2.458 1024 S HA 0.056 4.526 4.470 -0.000 0.000 0.223 1024 S C 1.896 176.625 174.600 0.215 0.000 1.019 1024 S CA 0.163 58.521 58.200 0.264 0.000 0.937 1024 S CB 0.239 63.570 63.200 0.218 0.000 0.788 1024 S HN 0.069 nan 8.310 nan 0.000 0.511 1025 R N 0.709 121.281 120.500 0.120 0.000 2.140 1025 R HA 0.429 4.769 4.340 -0.000 0.000 0.213 1025 R C 0.556 176.957 176.300 0.168 0.000 1.059 1025 R CA 0.609 56.793 56.100 0.140 0.000 1.000 1025 R CB -0.199 30.165 30.300 0.106 0.000 0.910 1025 R HN 0.388 nan 8.270 nan 0.000 0.455 1026 L N 1.086 122.383 121.223 0.123 0.000 2.783 1026 L HA 0.483 4.823 4.340 -0.000 0.000 0.235 1026 L C -0.557 176.382 176.870 0.117 0.000 1.260 1026 L CA -0.693 54.247 54.840 0.167 0.000 1.184 1026 L CB 0.660 42.825 42.059 0.176 0.000 1.472 1026 L HN 0.028 nan 8.230 nan 0.000 0.426 1027 A N -0.242 122.615 122.820 0.061 0.000 2.331 1027 A HA 0.514 4.834 4.320 -0.000 0.000 0.320 1027 A C 1.183 178.737 177.584 -0.050 0.000 1.138 1027 A CA -0.392 51.654 52.037 0.016 0.000 0.790 1027 A CB 1.016 20.022 19.000 0.011 0.000 1.206 1027 A HN 0.469 nan 8.150 nan 0.000 0.470 1028 T N 1.341 115.877 114.554 -0.029 0.000 2.649 1028 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 1028 T C 1.843 176.489 174.700 -0.091 0.000 1.036 1028 T CA 1.756 63.822 62.100 -0.057 0.000 1.157 1028 T CB -0.151 68.696 68.868 -0.034 0.000 0.861 1028 T HN 0.593 nan 8.240 nan 0.000 0.445 1029 R N 0.591 121.022 120.500 -0.115 0.000 2.280 1029 R HA 0.143 4.483 4.340 -0.000 0.000 0.207 1029 R C 2.443 178.604 176.300 -0.232 0.000 1.043 1029 R CA 0.468 56.479 56.100 -0.148 0.000 1.006 1029 R CB -0.115 30.107 30.300 -0.129 0.000 0.885 1029 R HN 0.426 nan 8.270 nan 0.000 0.467 1030 R N -0.513 119.812 120.500 -0.291 0.000 2.048 1030 R HA 0.001 4.341 4.340 -0.000 0.000 0.224 1030 R C 2.071 178.203 176.300 -0.280 0.000 1.163 1030 R CA 1.181 57.057 56.100 -0.374 0.000 0.956 1030 R CB -0.350 29.712 30.300 -0.397 0.000 0.849 1030 R HN -0.021 nan 8.270 nan 0.000 0.435 1031 V N 1.677 121.532 119.914 -0.098 0.000 2.794 1031 V HA -0.168 3.952 4.120 -0.000 0.000 0.260 1031 V C 1.713 177.811 176.094 0.006 0.000 1.103 1031 V CA 1.415 63.750 62.300 0.058 0.000 1.125 1031 V CB -0.549 31.330 31.823 0.094 0.000 0.702 1031 V HN 0.294 nan 8.190 nan 0.000 0.494 1032 L N -1.161 120.023 121.223 -0.064 0.000 3.122 1032 L HA 0.317 4.657 4.340 -0.000 0.000 0.274 1032 L C 1.579 178.415 176.870 -0.056 0.000 1.222 1032 L CA 0.077 54.888 54.840 -0.049 0.000 1.028 1032 L CB 0.506 42.531 42.059 -0.058 0.000 1.386 1032 L HN 0.193 nan 8.230 nan 0.000 0.578 1033 Q N -0.485 119.258 119.800 -0.095 0.000 2.477 1033 Q HA 0.099 4.439 4.340 -0.000 0.000 0.197 1033 Q C 1.293 177.231 176.000 -0.103 0.000 0.706 1033 Q CA 0.546 56.292 55.803 -0.096 0.000 0.900 1033 Q CB 0.922 29.583 28.738 -0.129 0.000 1.285 1033 Q HN 0.361 nan 8.270 nan 0.000 0.504 1034 E N 0.162 120.219 120.200 -0.238 0.000 2.086 1034 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 1034 E C -0.357 176.177 176.600 -0.110 0.000 0.975 1034 E CA 0.749 56.992 56.400 -0.262 0.000 0.813 1034 E CB 0.336 29.751 29.700 -0.474 0.000 0.768 1034 E HN 0.200 nan 8.360 nan 0.000 0.457 1035 Y N -0.657 119.684 120.300 0.068 0.000 2.681 1035 Y HA 0.475 5.025 4.550 -0.000 0.000 0.347 1035 Y C -0.734 175.200 175.900 0.058 0.000 1.029 1035 Y CA -1.231 56.931 58.100 0.103 0.000 1.279 1035 Y CB -0.070 38.442 38.460 0.086 0.000 1.096 1035 Y HN -0.339 nan 8.280 nan 0.000 0.580 1036 R N 3.576 124.177 120.500 0.168 0.000 2.474 1036 R HA 0.192 4.531 4.340 -0.000 0.000 0.339 1036 R C -0.412 175.922 176.300 0.056 0.000 1.033 1036 R CA 0.172 56.312 56.100 0.066 0.000 0.997 1036 R CB 0.147 30.452 30.300 0.008 0.000 0.963 1036 R HN 0.685 nan 8.270 nan 0.000 0.438 1037 L N 1.933 123.213 121.223 0.095 0.000 2.399 1037 L HA 0.303 4.643 4.340 -0.000 0.000 0.265 1037 L C 1.374 178.257 176.870 0.023 0.000 1.089 1037 L CA -0.292 54.597 54.840 0.082 0.000 0.802 1037 L CB 1.666 43.845 42.059 0.199 0.000 1.180 1037 L HN 0.658 nan 8.230 nan 0.000 0.454 1038 T N -1.663 112.878 114.554 -0.022 0.000 2.920 1038 T HA 0.204 4.554 4.350 -0.000 0.000 0.292 1038 T C 0.971 175.665 174.700 -0.011 0.000 1.093 1038 T CA -0.383 61.693 62.100 -0.039 0.000 0.944 1038 T CB 1.338 70.160 68.868 -0.077 0.000 1.605 1038 T HN 0.426 nan 8.240 nan 0.000 0.590 1039 K N -0.180 120.209 120.400 -0.019 0.000 1.995 1039 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 1039 K C 2.420 179.045 176.600 0.041 0.000 1.041 1039 K CA 1.459 57.754 56.287 0.015 0.000 0.942 1039 K CB -0.789 31.714 32.500 0.004 0.000 0.731 1039 K HN 0.803 nan 8.250 nan 0.000 0.439 1040 Q N 0.172 119.961 119.800 -0.018 0.000 2.084 1040 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 1040 Q C 1.699 177.602 176.000 -0.163 0.000 0.978 1040 Q CA 1.753 57.536 55.803 -0.033 0.000 0.844 1040 Q CB -0.136 28.595 28.738 -0.012 0.000 0.898 1040 Q HN 0.307 nan 8.270 nan 0.000 0.426 1041 A N -0.126 122.437 122.820 -0.428 0.000 2.125 1041 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 1041 A C 1.646 179.146 177.584 -0.140 0.000 1.156 1041 A CA 0.861 52.460 52.037 -0.731 0.000 0.671 1041 A CB -0.628 17.869 19.000 -0.840 0.000 0.794 1041 A HN 0.598 nan 8.150 nan 0.000 0.459 1042 F N 0.732 120.609 119.950 -0.121 0.000 2.104 1042 F HA -0.030 4.497 4.527 -0.000 0.000 0.288 1042 F C 1.751 177.561 175.800 0.016 0.000 1.107 1042 F CA 1.617 59.599 58.000 -0.030 0.000 1.208 1042 F CB -0.200 38.783 39.000 -0.027 0.000 1.033 1042 F HN 0.182 nan 8.300 nan 0.000 0.478 1043 D N -0.308 120.168 120.400 0.126 0.000 2.239 1043 D HA -0.265 4.375 4.640 -0.000 0.000 0.202 1043 D C 1.701 178.003 176.300 0.004 0.000 0.993 1043 D CA 1.279 55.309 54.000 0.051 0.000 0.874 1043 D CB -0.590 40.281 40.800 0.118 0.000 0.922 1043 D HN 0.497 nan 8.370 nan 0.000 0.464 1044 W N 1.348 122.565 121.300 -0.138 0.000 2.381 1044 W HA -0.207 4.453 4.660 -0.000 0.000 0.323 1044 W C 2.323 178.750 176.519 -0.153 0.000 1.194 1044 W CA 1.067 58.358 57.345 -0.089 0.000 1.296 1044 W CB -0.811 28.637 29.460 -0.019 0.000 1.175 1044 W HN -0.256 nan 8.180 nan 0.000 0.465 1045 V N 1.562 121.347 119.914 -0.214 0.000 2.313 1045 V HA -0.374 3.746 4.120 -0.000 0.000 0.253 1045 V C 2.359 178.148 176.094 -0.509 0.000 1.070 1045 V CA 2.168 64.185 62.300 -0.471 0.000 1.057 1045 V CB -1.311 30.324 31.823 -0.314 0.000 0.653 1045 V HN 0.416 nan 8.190 nan 0.000 0.450 1046 L N -0.448 120.447 121.223 -0.546 0.000 1.955 1046 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 1046 L C 2.586 179.293 176.870 -0.272 0.000 1.072 1046 L CA 2.443 57.039 54.840 -0.406 0.000 0.755 1046 L CB -0.464 41.373 42.059 -0.370 0.000 0.888 1046 L HN 0.293 nan 8.230 nan 0.000 0.432 1047 S N -0.718 114.842 115.700 -0.234 0.000 2.469 1047 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 1047 S C 1.736 176.201 174.600 -0.225 0.000 0.998 1047 S CA 1.165 59.266 58.200 -0.165 0.000 0.957 1047 S CB -0.524 62.628 63.200 -0.081 0.000 0.764 1047 S HN 0.490 nan 8.310 nan 0.000 0.514 1048 N N 0.392 118.851 118.700 -0.402 0.000 2.251 1048 N HA 0.091 4.831 4.740 -0.000 0.000 0.181 1048 N C 1.654 177.005 175.510 -0.264 0.000 1.019 1048 N CA 0.876 53.649 53.050 -0.461 0.000 0.862 1048 N CB -0.009 37.913 38.487 -0.942 0.000 0.992 1048 N HN 0.364 nan 8.380 nan 0.000 0.429 1049 I N 1.275 121.710 120.570 -0.225 0.000 2.315 1049 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 1049 I C 2.483 178.596 176.117 -0.007 0.000 1.117 1049 I CA 0.817 62.074 61.300 -0.071 0.000 1.404 1049 I CB -0.157 37.827 38.000 -0.027 0.000 1.071 1049 I HN 0.238 nan 8.210 nan 0.000 0.419 1050 E N 1.290 121.452 120.200 -0.064 0.000 2.038 1050 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 1050 E C 2.285 178.894 176.600 0.015 0.000 1.000 1050 E CA 1.595 57.970 56.400 -0.041 0.000 0.803 1050 E CB -0.028 29.632 29.700 -0.066 0.000 0.750 1050 E HN 0.483 nan 8.360 nan 0.000 0.448 1051 A N 1.213 124.016 122.820 -0.029 0.000 1.851 1051 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 1051 A C 2.140 179.722 177.584 -0.003 0.000 1.195 1051 A CA 1.722 53.748 52.037 -0.020 0.000 0.622 1051 A CB -0.763 18.209 19.000 -0.047 0.000 0.831 1051 A HN 0.331 nan 8.150 nan 0.000 0.444 1052 Q N -1.937 117.854 119.800 -0.016 0.000 2.197 1052 Q HA -0.214 4.126 4.340 -0.000 0.000 0.207 1052 Q C 1.889 177.879 176.000 -0.017 0.000 0.984 1052 Q CA 1.690 57.486 55.803 -0.012 0.000 0.869 1052 Q CB -0.299 28.429 28.738 -0.017 0.000 0.906 1052 Q HN 0.746 nan 8.270 nan 0.000 0.426 1053 F N 1.035 120.900 119.950 -0.142 0.000 2.039 1053 F HA -0.182 4.345 4.527 -0.000 0.000 0.294 1053 F C 1.966 177.649 175.800 -0.194 0.000 1.130 1053 F CA 1.263 59.139 58.000 -0.207 0.000 1.189 1053 F CB -0.197 38.673 39.000 -0.216 0.000 0.983 1053 F HN -0.042 nan 8.300 nan 0.000 0.471 1054 L N -0.044 121.222 121.223 0.071 0.000 2.549 1054 L HA -0.098 4.242 4.340 -0.000 0.000 0.229 1054 L C 2.219 178.991 176.870 -0.164 0.000 1.158 1054 L CA 0.641 55.459 54.840 -0.037 0.000 0.842 1054 L CB -0.725 41.353 42.059 0.031 0.000 0.952 1054 L HN 0.124 nan 8.230 nan 0.000 0.452 1055 R N -0.307 120.088 120.500 -0.175 0.000 2.115 1055 R HA -0.030 4.310 4.340 -0.000 0.000 0.226 1055 R C 2.101 178.091 176.300 -0.516 0.000 1.100 1055 R CA 1.217 57.184 56.100 -0.222 0.000 0.980 1055 R CB -0.089 30.148 30.300 -0.106 0.000 0.875 1055 R HN 0.233 nan 8.270 nan 0.000 0.445 1056 S N 0.335 115.702 115.700 -0.554 0.000 2.593 1056 S HA 0.079 4.549 4.470 -0.000 0.000 0.217 1056 S C 0.614 174.886 174.600 -0.546 0.000 0.966 1056 S CA -0.206 57.590 58.200 -0.674 0.000 0.914 1056 S CB 0.236 63.124 63.200 -0.521 0.000 0.776 1056 S HN -0.038 nan 8.310 nan 0.000 0.523 1057 V N 1.931 121.552 119.914 -0.488 0.000 3.178 1057 V HA 0.045 4.165 4.120 -0.000 0.000 0.306 1057 V C 0.868 176.770 176.094 -0.319 0.000 1.107 1057 V CA -0.222 61.864 62.300 -0.357 0.000 1.195 1057 V CB 0.444 32.082 31.823 -0.309 0.000 0.993 1057 V HN 0.112 nan 8.190 nan 0.000 0.493 1058 V N 3.042 122.847 119.914 -0.181 0.000 2.649 1058 V HA 0.191 4.311 4.120 -0.000 0.000 0.292 1058 V C 0.275 176.251 176.094 -0.197 0.000 1.055 1058 V CA -0.411 61.817 62.300 -0.120 0.000 1.023 1058 V CB 0.889 32.692 31.823 -0.033 0.000 0.992 1058 V HN 0.800 nan 8.190 nan 0.000 0.480 1059 H N 5.157 124.165 119.070 -0.104 0.000 2.562 1059 H HA 0.253 4.809 4.556 0.000 0.000 0.314 1059 H C -2.264 172.959 175.328 -0.175 0.000 1.079 1059 H CA -1.887 54.098 56.048 -0.106 0.000 1.349 1059 H CB 1.281 31.002 29.762 -0.068 0.000 1.432 1059 H HN 0.449 nan 8.280 nan 0.000 0.479 1060 P HA -0.068 nan 4.420 nan 0.000 0.258 1060 P C 0.992 178.082 177.300 -0.349 0.000 1.172 1060 P CA 1.276 64.100 63.100 -0.461 0.000 0.762 1060 P CB 0.425 31.451 31.700 -1.124 0.000 0.764 1061 G N 2.404 111.029 108.800 -0.293 0.000 2.428 1061 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.199 1061 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.199 1061 G C 0.108 174.922 174.900 -0.144 0.000 1.005 1061 G CA -0.533 44.462 45.100 -0.175 0.000 0.671 1061 G HN 0.516 nan 8.290 nan 0.000 0.485 1062 E N 2.229 122.349 120.200 -0.133 0.000 2.383 1062 E HA 0.198 4.548 4.350 -0.000 0.000 0.257 1062 E C 0.544 177.046 176.600 -0.163 0.000 1.079 1062 E CA 0.174 56.494 56.400 -0.132 0.000 0.934 1062 E CB 0.171 29.792 29.700 -0.132 0.000 0.978 1062 E HN 0.272 nan 8.360 nan 0.000 0.462 1063 M N 4.355 123.876 119.600 -0.131 0.000 2.341 1063 M HA 0.038 4.518 4.480 -0.000 0.000 0.336 1063 M C 0.827 177.060 176.300 -0.112 0.000 1.489 1063 M CA -0.014 55.216 55.300 -0.117 0.000 1.278 1063 M CB 0.359 32.901 32.600 -0.096 0.000 1.657 1063 M HN 0.210 nan 8.290 nan 0.000 0.455 1064 V N 2.586 122.424 119.914 -0.126 0.000 3.406 1064 V HA 0.003 4.123 4.120 -0.000 0.000 0.263 1064 V C 2.129 178.222 176.094 -0.002 0.000 1.172 1064 V CA 1.422 63.665 62.300 -0.094 0.000 1.140 1064 V CB -0.686 31.007 31.823 -0.217 0.000 0.784 1064 V HN 0.990 nan 8.190 nan 0.000 0.467 1065 G N 0.784 109.566 108.800 -0.030 0.000 2.505 1065 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.214 1065 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.214 1065 G C 1.625 176.489 174.900 -0.061 0.000 1.237 1065 G CA 1.203 46.280 45.100 -0.039 0.000 0.802 1065 G HN 0.292 nan 8.290 nan 0.000 0.549 1066 V N 0.933 120.803 119.914 -0.074 0.000 2.313 1066 V HA -0.197 3.923 4.120 -0.000 0.000 0.253 1066 V C 2.785 178.826 176.094 -0.089 0.000 1.070 1066 V CA 1.656 63.906 62.300 -0.083 0.000 1.057 1066 V CB -0.555 31.222 31.823 -0.077 0.000 0.653 1066 V HN 0.272 nan 8.190 nan 0.000 0.450 1067 L N 0.320 121.496 121.223 -0.078 0.000 1.994 1067 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 1067 L C 2.520 179.284 176.870 -0.178 0.000 1.071 1067 L CA 2.730 57.508 54.840 -0.102 0.000 0.745 1067 L CB -1.541 40.489 42.059 -0.048 0.000 0.892 1067 L HN 0.337 nan 8.230 nan 0.000 0.431 1068 A N -0.964 121.807 122.820 -0.082 0.000 1.968 1068 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 1068 A C 2.406 179.924 177.584 -0.109 0.000 1.169 1068 A CA 1.502 53.499 52.037 -0.067 0.000 0.638 1068 A CB -0.691 18.397 19.000 0.146 0.000 0.812 1068 A HN 0.503 nan 8.150 nan 0.000 0.446 1069 A N -0.426 122.332 122.820 -0.105 0.000 1.828 1069 A HA -0.236 4.083 4.320 -0.000 0.000 0.215 1069 A C 2.042 179.547 177.584 -0.131 0.000 1.203 1069 A CA 1.697 53.664 52.037 -0.117 0.000 0.614 1069 A CB -0.961 17.963 19.000 -0.127 0.000 0.844 1069 A HN 0.569 nan 8.150 nan 0.000 0.445 1070 Q N -0.240 119.478 119.800 -0.137 0.000 2.165 1070 Q HA -0.243 4.097 4.340 -0.000 0.000 0.215 1070 Q C 2.263 178.167 176.000 -0.161 0.000 1.010 1070 Q CA 2.178 57.893 55.803 -0.148 0.000 0.896 1070 Q CB -0.457 28.202 28.738 -0.130 0.000 0.956 1070 Q HN 0.653 nan 8.270 nan 0.000 0.413 1071 S N -0.263 115.316 115.700 -0.202 0.000 2.547 1071 S HA -0.022 4.448 4.470 -0.000 0.000 0.235 1071 S C 1.616 176.131 174.600 -0.141 0.000 0.980 1071 S CA 0.699 58.763 58.200 -0.227 0.000 0.941 1071 S CB 0.058 62.935 63.200 -0.539 0.000 0.763 1071 S HN 0.289 nan 8.310 nan 0.000 0.532 1072 I N 0.038 120.536 120.570 -0.119 0.000 3.883 1072 I HA 0.154 4.324 4.170 -0.000 0.000 0.305 1072 I C 2.414 178.474 176.117 -0.094 0.000 1.247 1072 I CA 0.291 61.537 61.300 -0.090 0.000 1.350 1072 I CB -0.240 37.714 38.000 -0.076 0.000 1.194 1072 I HN 0.307 nan 8.210 nan 0.000 0.441 1073 G N 0.582 109.315 108.800 -0.111 0.000 2.432 1073 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 1073 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 1073 G C 1.504 176.328 174.900 -0.127 0.000 1.135 1073 G CA 0.579 45.613 45.100 -0.111 0.000 0.767 1073 G HN 0.262 nan 8.290 nan 0.000 0.550 1074 E N 1.097 121.200 120.200 -0.162 0.000 2.021 1074 E HA -0.037 4.313 4.350 -0.000 0.000 0.189 1074 E C 0.036 176.576 176.600 -0.101 0.000 0.980 1074 E CA 0.905 57.190 56.400 -0.192 0.000 0.803 1074 E CB -0.601 28.909 29.700 -0.317 0.000 0.766 1074 E HN 0.256 nan 8.360 nan 0.000 0.449 1075 P HA -0.096 nan 4.420 nan 0.000 0.215 1075 P C 1.295 178.570 177.300 -0.041 0.000 1.157 1075 P CA 2.272 65.348 63.100 -0.040 0.000 0.868 1075 P CB -0.337 31.339 31.700 -0.040 0.000 0.788 1076 A N -0.578 122.211 122.820 -0.052 0.000 1.870 1076 A HA -0.313 4.006 4.320 -0.000 0.000 0.219 1076 A C 2.313 179.876 177.584 -0.035 0.000 1.224 1076 A CA 3.230 55.241 52.037 -0.043 0.000 0.650 1076 A CB -2.067 16.904 19.000 -0.048 0.000 0.836 1076 A HN 0.174 nan 8.150 nan 0.000 0.454 1077 T N -0.397 114.128 114.554 -0.048 0.000 2.544 1077 T HA -0.263 4.086 4.350 -0.000 0.000 0.264 1077 T C 2.153 176.836 174.700 -0.029 0.000 1.096 1077 T CA 2.546 64.621 62.100 -0.043 0.000 1.181 1077 T CB -0.371 68.456 68.868 -0.068 0.000 0.864 1077 T HN 0.815 nan 8.240 nan 0.000 0.415 1078 Q N -0.290 119.491 119.800 -0.032 0.000 2.165 1078 Q HA 0.175 4.515 4.340 -0.000 0.000 0.197 1078 Q C 2.208 178.208 176.000 0.001 0.000 0.952 1078 Q CA 1.094 56.889 55.803 -0.013 0.000 0.848 1078 Q CB -0.280 28.451 28.738 -0.011 0.000 0.931 1078 Q HN 0.344 nan 8.270 nan 0.000 0.470 1079 M N 0.013 119.612 119.600 -0.002 0.000 2.115 1079 M HA -0.028 4.452 4.480 -0.000 0.000 0.261 1079 M C 2.231 178.539 176.300 0.014 0.000 1.079 1079 M CA 1.882 57.188 55.300 0.011 0.000 1.143 1079 M CB -0.926 31.679 32.600 0.007 0.000 1.332 1079 M HN 0.361 nan 8.290 nan 0.000 0.421 1080 T N 2.042 116.594 114.554 -0.002 0.000 2.684 1080 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 1080 T C 1.155 175.857 174.700 0.003 0.000 1.036 1080 T CA 0.825 62.922 62.100 -0.005 0.000 1.148 1080 T CB -0.231 68.625 68.868 -0.021 0.000 0.863 1080 T HN 0.113 nan 8.240 nan 0.000 0.436 1081 L N 0.926 122.152 121.223 0.004 0.000 2.598 1081 L HA 0.220 4.560 4.340 -0.000 0.000 0.202 1081 L C 0.134 177.023 176.870 0.032 0.000 1.190 1081 L CA 0.208 55.054 54.840 0.011 0.000 0.869 1081 L CB -0.391 41.671 42.059 0.006 0.000 1.529 1081 L HN 0.447 nan 8.230 nan 0.000 0.520 1082 N N 0.991 119.713 118.700 0.037 0.000 2.681 1082 N HA -0.149 4.591 4.740 -0.000 0.000 0.259 1082 N C -0.786 174.786 175.510 0.104 0.000 1.066 1082 N CA 0.947 54.029 53.050 0.053 0.000 0.717 1082 N CB -0.961 37.548 38.487 0.037 0.000 0.885 1082 N HN 0.889 nan 8.380 nan 0.000 0.547 1083 T N -2.877 111.760 114.554 0.138 0.000 2.696 1083 T HA 0.685 5.035 4.350 -0.000 0.000 0.291 1083 T C 1.151 176.076 174.700 0.375 0.000 1.095 1083 T CA -0.774 61.508 62.100 0.305 0.000 1.026 1083 T CB 0.987 69.968 68.868 0.188 0.000 1.390 1083 T HN -0.017 nan 8.240 nan 0.000 0.513 1084 F N 0.492 120.455 119.950 0.023 0.000 2.213 1084 F HA 0.403 4.930 4.527 -0.000 0.000 0.272 1084 F C 2.104 177.939 175.800 0.058 0.000 1.095 1084 F CA 1.367 59.376 58.000 0.014 0.000 1.128 1084 F CB -1.409 37.598 39.000 0.012 0.000 1.091 1084 F HN 1.120 nan 8.300 nan 0.000 0.530 1085 H N -4.884 113.904 119.070 -0.471 0.000 1.989 1085 H HA 0.239 4.795 4.556 -0.000 0.000 0.131 1085 H C -0.724 174.067 175.328 -0.896 0.000 0.960 1085 H CA -0.200 55.521 56.048 -0.545 0.000 0.529 1085 H CB 0.118 29.741 29.762 -0.232 0.000 0.442 1085 H HN 0.210 nan 8.280 nan 0.000 0.320 1086 F N 1.041 120.916 119.950 -0.125 0.000 3.250 1086 F HA 0.613 5.140 4.527 -0.000 0.000 0.326 1086 F C -0.888 174.876 175.800 -0.060 0.000 1.154 1086 F CA 0.130 57.992 58.000 -0.229 0.000 0.870 1086 F CB 1.321 40.124 39.000 -0.327 0.000 1.476 1086 F HN 0.504 nan 8.300 nan 0.000 0.491 1087 A N 0.583 123.609 122.820 0.343 0.000 2.435 1087 A HA 0.425 4.745 4.320 -0.000 0.000 0.686 1087 A C -0.088 177.682 177.584 0.311 0.000 0.138 1087 A CA -0.095 52.145 52.037 0.340 0.000 0.024 1087 A CB -1.645 17.651 19.000 0.493 0.000 3.974 1087 A HN 2.031 nan 8.150 nan 0.000 0.548 1088 G N -0.093 108.832 108.800 0.208 0.000 2.653 1088 G HA2 0.712 4.672 3.960 -0.000 0.000 0.265 1088 G HA3 0.712 4.672 3.960 -0.000 0.000 0.265 1088 G C 0.938 175.885 174.900 0.078 0.000 1.237 1088 G CA 0.786 45.970 45.100 0.141 0.000 0.946 1088 G HN 2.651 nan 8.290 nan 0.000 0.522 1089 V N -1.264 118.672 119.914 0.036 0.000 0.691 1089 V HA 0.147 4.267 4.120 -0.000 0.000 0.092 1089 V C 0.353 176.400 176.094 -0.079 0.000 0.767 1089 V CA 1.590 63.872 62.300 -0.029 0.000 3.097 1089 V CB -0.847 30.946 31.823 -0.050 0.000 0.181 1089 V HN 2.683 nan 8.190 nan 0.000 0.061 1090 A N 0.361 123.060 122.820 -0.200 0.000 2.491 1090 A HA 0.792 5.112 4.320 -0.000 0.000 0.293 1090 A C -0.357 176.882 177.584 -0.575 0.000 1.047 1090 A CA 0.835 52.662 52.037 -0.350 0.000 0.735 1090 A CB 1.578 20.450 19.000 -0.214 0.000 1.281 1090 A HN 2.561 nan 8.150 nan 0.000 0.398 1091 S N 1.101 116.070 115.700 -1.220 0.000 3.217 1091 S HA -0.104 4.365 4.470 -0.000 0.000 0.857 1091 S C 0.906 175.086 174.600 -0.700 0.000 1.078 1091 S CA 0.487 57.947 58.200 -1.233 0.000 1.169 1091 S CB -0.059 62.833 63.200 -0.512 0.000 0.822 1091 S HN 0.855 nan 8.310 nan 0.000 0.256 1092 K N 2.124 122.323 120.400 -0.335 0.000 2.102 1092 K HA 0.152 4.472 4.320 -0.000 0.000 0.206 1092 K C 1.415 178.022 176.600 0.012 0.000 1.031 1092 K CA 0.737 57.022 56.287 -0.003 0.000 0.962 1092 K CB -0.101 32.541 32.500 0.236 0.000 0.811 1092 K HN 0.491 nan 8.250 nan 0.000 0.453 1093 K N 1.851 122.274 120.400 0.037 0.000 2.358 1093 K HA 0.106 4.426 4.320 -0.000 0.000 0.197 1093 K C 0.470 177.134 176.600 0.107 0.000 1.025 1093 K CA 0.020 56.355 56.287 0.081 0.000 1.104 1093 K CB 0.552 33.076 32.500 0.041 0.000 0.855 1093 K HN 0.044 nan 8.250 nan 0.000 0.531 1094 V N 1.257 121.226 119.914 0.093 0.000 2.901 1094 V HA -0.001 4.119 4.120 -0.000 0.000 0.307 1094 V C 0.605 176.743 176.094 0.073 0.000 1.084 1094 V CA -0.552 61.795 62.300 0.079 0.000 1.184 1094 V CB -0.175 31.698 31.823 0.084 0.000 0.941 1094 V HN 0.327 nan 8.190 nan 0.000 0.493 1095 T N 2.345 116.930 114.554 0.053 0.000 2.765 1095 T HA 0.409 4.759 4.350 -0.000 0.000 0.284 1095 T C 0.378 175.097 174.700 0.030 0.000 0.946 1095 T CA 0.148 62.267 62.100 0.032 0.000 1.185 1095 T CB -0.309 68.578 68.868 0.031 0.000 0.887 1095 T HN 1.466 nan 8.240 nan 0.000 0.532 1096 S N 2.617 118.319 115.700 0.003 0.000 2.798 1096 S HA 0.942 5.412 4.470 -0.000 0.000 0.312 1096 S C 0.681 175.264 174.600 -0.029 0.000 1.122 1096 S CA -0.323 57.876 58.200 -0.002 0.000 0.949 1096 S CB 1.100 64.300 63.200 0.001 0.000 1.235 1096 S HN 2.052 nan 8.310 nan 0.000 0.552 1097 G N -0.339 108.444 108.800 -0.028 0.000 2.796 1097 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.226 1097 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.226 1097 G C 0.555 175.446 174.900 -0.016 0.000 1.381 1097 G CA -0.249 44.832 45.100 -0.033 0.000 0.867 1097 G HN 1.482 nan 8.290 nan 0.000 0.552 1098 V N 1.941 121.846 119.914 -0.014 0.000 2.277 1098 V HA -0.231 3.889 4.120 -0.000 0.000 0.255 1098 V C 0.806 176.905 176.094 0.009 0.000 1.074 1098 V CA 3.564 65.862 62.300 -0.003 0.000 1.058 1098 V CB -1.296 30.528 31.823 0.001 0.000 0.656 1098 V HN 0.703 nan 8.190 nan 0.000 0.449 1099 P HA -0.202 nan 4.420 nan 0.000 0.214 1099 P C 1.690 179.009 177.300 0.031 0.000 1.163 1099 P CA 1.733 64.844 63.100 0.020 0.000 0.889 1099 P CB -0.141 31.564 31.700 0.008 0.000 0.790 1100 R N -0.027 120.489 120.500 0.027 0.000 2.103 1100 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 1100 R C 2.129 178.458 176.300 0.048 0.000 1.132 1100 R CA 1.608 57.734 56.100 0.044 0.000 0.925 1100 R CB -1.765 28.559 30.300 0.040 0.000 0.842 1100 R HN 0.018 nan 8.270 nan 0.000 0.430 1101 L N 1.059 122.297 121.223 0.025 0.000 2.151 1101 L HA -0.208 4.131 4.340 -0.000 0.000 0.215 1101 L C 2.063 178.950 176.870 0.028 0.000 1.084 1101 L CA 2.167 57.015 54.840 0.013 0.000 0.764 1101 L CB -0.542 41.513 42.059 -0.007 0.000 0.891 1101 L HN 0.366 nan 8.230 nan 0.000 0.435 1102 K N -1.018 119.408 120.400 0.044 0.000 2.243 1102 K HA -0.078 4.242 4.320 -0.000 0.000 0.201 1102 K C 1.853 178.504 176.600 0.085 0.000 1.051 1102 K CA 0.795 57.119 56.287 0.062 0.000 0.970 1102 K CB 0.077 32.619 32.500 0.070 0.000 0.755 1102 K HN 0.459 nan 8.250 nan 0.000 0.465 1103 E N 0.640 120.894 120.200 0.091 0.000 2.047 1103 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 1103 E C 1.814 178.525 176.600 0.184 0.000 0.987 1103 E CA 1.059 57.532 56.400 0.121 0.000 0.799 1103 E CB 0.008 29.777 29.700 0.115 0.000 0.752 1103 E HN 0.232 nan 8.360 nan 0.000 0.449 1104 I N 0.745 121.417 120.570 0.169 0.000 2.264 1104 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 1104 I C 2.213 178.387 176.117 0.094 0.000 1.111 1104 I CA 1.410 62.798 61.300 0.147 0.000 1.382 1104 I CB -0.670 37.320 38.000 -0.016 0.000 1.060 1104 I HN 0.156 nan 8.210 nan 0.000 0.418 1105 L N 0.109 121.376 121.223 0.074 0.000 2.529 1105 L HA 0.011 4.351 4.340 -0.000 0.000 0.223 1105 L C 1.327 178.266 176.870 0.115 0.000 1.113 1105 L CA 0.411 55.286 54.840 0.059 0.000 0.861 1105 L CB -0.333 41.735 42.059 0.015 0.000 1.012 1105 L HN 0.165 nan 8.230 nan 0.000 0.461 1106 N N -1.021 117.764 118.700 0.142 0.000 2.336 1106 N HA 0.086 4.826 4.740 -0.000 0.000 0.189 1106 N C -0.186 175.422 175.510 0.164 0.000 1.113 1106 N CA 0.062 53.205 53.050 0.155 0.000 0.858 1106 N CB 0.545 39.114 38.487 0.137 0.000 0.970 1106 N HN -0.163 nan 8.380 nan 0.000 0.471 1107 V N 0.489 120.537 119.914 0.223 0.000 5.881 1107 V HA -0.256 3.864 4.120 -0.000 0.000 0.227 1107 V C 0.286 176.446 176.094 0.110 0.000 0.683 1107 V CA 0.202 62.649 62.300 0.246 0.000 0.747 1107 V CB -2.418 29.523 31.823 0.196 0.000 0.784 1107 V HN 0.383 nan 8.190 nan 0.000 0.430 1108 A N 5.075 127.954 122.820 0.099 0.000 2.354 1108 A HA 0.543 4.863 4.320 -0.000 0.000 0.281 1108 A C 1.242 178.794 177.584 -0.053 0.000 1.174 1108 A CA -0.368 51.687 52.037 0.031 0.000 0.828 1108 A CB 0.548 19.583 19.000 0.059 0.000 1.099 1108 A HN 0.604 nan 8.150 nan 0.000 0.516 1109 K N 1.651 122.025 120.400 -0.043 0.000 2.062 1109 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 1109 K C -0.174 176.392 176.600 -0.056 0.000 1.051 1109 K CA 0.947 57.196 56.287 -0.064 0.000 0.941 1109 K CB -0.018 32.454 32.500 -0.047 0.000 0.719 1109 K HN 0.646 nan 8.250 nan 0.000 0.440 1110 N N 1.907 120.588 118.700 -0.032 0.000 3.194 1110 N HA 0.116 4.856 4.740 -0.000 0.000 0.271 1110 N C -0.437 175.065 175.510 -0.013 0.000 1.308 1110 N CA -0.034 53.002 53.050 -0.023 0.000 1.042 1110 N CB 0.167 38.645 38.487 -0.014 0.000 1.310 1110 N HN 0.236 nan 8.380 nan 0.000 0.502 1111 M N -0.911 118.676 119.600 -0.022 0.000 2.185 1111 M HA 0.317 4.797 4.480 -0.000 0.000 0.357 1111 M C 0.797 177.097 176.300 0.001 0.000 1.260 1111 M CA -0.188 55.110 55.300 -0.003 0.000 1.124 1111 M CB 1.495 34.092 32.600 -0.006 0.000 1.600 1111 M HN -0.072 nan 8.290 nan 0.000 0.467 1112 K N 1.343 121.751 120.400 0.013 0.000 2.057 1112 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 1112 K C 0.109 176.717 176.600 0.013 0.000 1.049 1112 K CA 1.401 57.696 56.287 0.013 0.000 0.931 1112 K CB 0.022 32.533 32.500 0.018 0.000 0.714 1112 K HN 0.802 nan 8.250 nan 0.000 0.440 1113 T N 2.572 117.138 114.554 0.020 0.000 3.241 1113 T HA 0.278 4.628 4.350 -0.000 0.000 0.387 1113 T C -2.702 172.010 174.700 0.020 0.000 1.451 1113 T CA -1.588 60.525 62.100 0.022 0.000 1.363 1113 T CB 1.423 70.312 68.868 0.035 0.000 1.074 1113 T HN -0.115 nan 8.240 nan 0.000 0.598 1114 P HA 0.497 nan 4.420 nan 0.000 0.274 1114 P C -0.459 176.839 177.300 -0.003 0.000 1.237 1114 P CA -0.450 62.643 63.100 -0.010 0.000 0.793 1114 P CB 0.789 32.469 31.700 -0.033 0.000 0.977 1115 S N 1.764 117.460 115.700 -0.007 0.000 2.592 1115 S HA 0.409 4.879 4.470 -0.000 0.000 0.275 1115 S C -1.466 173.125 174.600 -0.014 0.000 1.169 1115 S CA -0.664 57.538 58.200 0.003 0.000 0.958 1115 S CB 0.157 63.379 63.200 0.035 0.000 1.095 1115 S HN 0.131 nan 8.310 nan 0.000 0.471 1116 L N 4.138 125.349 121.223 -0.020 0.000 2.305 1116 L HA 0.534 4.874 4.340 -0.000 0.000 0.281 1116 L C 0.343 177.196 176.870 -0.029 0.000 1.085 1116 L CA 0.346 55.167 54.840 -0.032 0.000 0.813 1116 L CB 1.091 43.129 42.059 -0.035 0.000 1.157 1116 L HN 0.806 nan 8.230 nan 0.000 0.436 1117 T N 3.895 118.428 114.554 -0.035 0.000 2.786 1117 T HA 0.629 4.979 4.350 -0.000 0.000 0.283 1117 T C -0.252 174.331 174.700 -0.194 0.000 0.992 1117 T CA -0.469 61.572 62.100 -0.098 0.000 0.954 1117 T CB 1.618 70.472 68.868 -0.022 0.000 0.934 1117 T HN 0.356 nan 8.240 nan 0.000 0.440 1118 V N 1.727 121.498 119.914 -0.238 0.000 2.680 1118 V HA 0.665 4.785 4.120 -0.000 0.000 0.309 1118 V C -1.301 174.673 176.094 -0.201 0.000 1.052 1118 V CA -1.291 60.896 62.300 -0.188 0.000 0.908 1118 V CB 1.070 32.856 31.823 -0.062 0.000 1.001 1118 V HN 0.830 nan 8.190 nan 0.000 0.431 1119 Y N 2.266 122.609 120.300 0.073 0.000 2.420 1119 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 1119 Y C 0.187 176.129 175.900 0.070 0.000 1.094 1119 Y CA -1.002 57.146 58.100 0.080 0.000 1.126 1119 Y CB 1.985 40.504 38.460 0.098 0.000 1.217 1119 Y HN 0.525 nan 8.280 nan 0.000 0.462 1120 L N 1.781 123.166 121.223 0.270 0.000 2.473 1120 L HA 0.045 4.385 4.340 -0.000 0.000 0.268 1120 L C 0.397 177.366 176.870 0.165 0.000 1.215 1120 L CA 0.186 55.136 54.840 0.183 0.000 0.823 1120 L CB 0.346 42.516 42.059 0.184 0.000 1.099 1120 L HN 0.599 nan 8.230 nan 0.000 0.483 1121 E N 3.412 123.705 120.200 0.156 0.000 2.417 1121 E HA -0.001 4.349 4.350 -0.000 0.000 0.261 1121 E C -1.697 174.966 176.600 0.105 0.000 1.000 1121 E CA -1.183 55.297 56.400 0.133 0.000 0.919 1121 E CB 0.895 30.696 29.700 0.167 0.000 0.955 1121 E HN 0.352 nan 8.360 nan 0.000 0.455 1122 P HA -0.164 nan 4.420 nan 0.000 0.217 1122 P C 0.950 178.236 177.300 -0.024 0.000 1.148 1122 P CA 1.477 64.585 63.100 0.014 0.000 0.834 1122 P CB 0.099 31.794 31.700 -0.009 0.000 0.783 1123 G N -2.142 106.613 108.800 -0.075 0.000 2.653 1123 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.212 1123 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.212 1123 G C 0.369 174.965 174.900 -0.506 0.000 1.138 1123 G CA 0.506 45.461 45.100 -0.242 0.000 0.782 1123 G HN 0.351 nan 8.290 nan 0.000 0.535 1124 H N -2.329 116.757 119.070 0.026 0.000 2.930 1124 H HA 0.558 5.114 4.556 -0.000 0.000 0.371 1124 H C 0.260 175.624 175.328 0.060 0.000 1.169 1124 H CA -0.116 55.954 56.048 0.036 0.000 1.157 1124 H CB 2.028 31.809 29.762 0.032 0.000 1.789 1124 H HN 0.044 nan 8.280 nan 0.000 0.547 1125 A N 1.150 124.093 122.820 0.205 0.000 1.976 1125 A HA 0.504 4.824 4.320 -0.000 0.000 0.199 1125 A C 1.175 178.914 177.584 0.259 0.000 2.152 1125 A CA 0.769 52.914 52.037 0.181 0.000 1.086 1125 A CB -0.534 18.535 19.000 0.114 0.000 1.181 1125 A HN 0.585 nan 8.150 nan 0.000 0.642 1126 A N -0.010 122.961 122.820 0.253 0.000 2.500 1126 A HA 0.343 4.663 4.320 -0.000 0.000 0.267 1126 A C 0.044 177.833 177.584 0.342 0.000 1.290 1126 A CA 0.260 52.533 52.037 0.392 0.000 0.928 1126 A CB -0.313 18.832 19.000 0.242 0.000 1.066 1126 A HN 0.318 nan 8.150 nan 0.000 0.516 1127 D N 1.135 121.641 120.400 0.176 0.000 2.416 1127 D HA 0.160 4.800 4.640 -0.000 0.000 0.240 1127 D C 1.209 177.395 176.300 -0.190 0.000 1.250 1127 D CA -0.134 53.880 54.000 0.024 0.000 0.967 1127 D CB 0.763 41.577 40.800 0.023 0.000 1.059 1127 D HN 0.448 nan 8.370 nan 0.000 0.512 1128 Q N 2.453 122.033 119.800 -0.365 0.000 2.226 1128 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 1128 Q C 1.650 177.315 176.000 -0.558 0.000 0.975 1128 Q CA 1.154 56.410 55.803 -0.912 0.000 0.866 1128 Q CB -0.296 27.753 28.738 -1.150 0.000 0.915 1128 Q HN 0.567 nan 8.270 nan 0.000 0.440 1129 E N 0.217 120.223 120.200 -0.324 0.000 2.204 1129 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 1129 E C 1.932 178.389 176.600 -0.239 0.000 0.990 1129 E CA 1.051 57.306 56.400 -0.240 0.000 0.821 1129 E CB 0.127 29.733 29.700 -0.155 0.000 0.750 1129 E HN 0.482 nan 8.360 nan 0.000 0.477 1130 Q N 0.554 120.198 119.800 -0.259 0.000 2.016 1130 Q HA -0.123 4.216 4.340 -0.000 0.000 0.200 1130 Q C 1.936 177.788 176.000 -0.248 0.000 0.978 1130 Q CA 2.102 57.739 55.803 -0.277 0.000 0.833 1130 Q CB -0.508 28.013 28.738 -0.362 0.000 0.895 1130 Q HN 0.257 nan 8.270 nan 0.000 0.427 1131 A N 0.631 123.281 122.820 -0.285 0.000 1.948 1131 A HA -0.286 4.033 4.320 -0.000 0.000 0.220 1131 A C 2.041 179.485 177.584 -0.234 0.000 1.177 1131 A CA 1.996 53.882 52.037 -0.251 0.000 0.636 1131 A CB -0.607 18.179 19.000 -0.357 0.000 0.815 1131 A HN 0.447 nan 8.150 nan 0.000 0.449 1132 K N -0.642 119.593 120.400 -0.274 0.000 2.009 1132 K HA -0.070 4.250 4.320 -0.000 0.000 0.210 1132 K C 1.942 178.440 176.600 -0.169 0.000 1.049 1132 K CA 1.408 57.558 56.287 -0.228 0.000 0.929 1132 K CB -0.400 31.964 32.500 -0.226 0.000 0.714 1132 K HN 0.473 nan 8.250 nan 0.000 0.440 1133 L N 0.972 122.101 121.223 -0.157 0.000 2.021 1133 L HA -0.280 4.059 4.340 -0.000 0.000 0.215 1133 L C 2.314 179.123 176.870 -0.101 0.000 1.074 1133 L CA 1.581 56.348 54.840 -0.121 0.000 0.760 1133 L CB -0.466 41.520 42.059 -0.122 0.000 0.889 1133 L HN 0.261 nan 8.230 nan 0.000 0.433 1134 I N -1.113 119.394 120.570 -0.105 0.000 2.179 1134 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 1134 I C 2.768 178.843 176.117 -0.070 0.000 1.088 1134 I CA 1.137 62.392 61.300 -0.075 0.000 1.357 1134 I CB -0.540 37.421 38.000 -0.065 0.000 1.051 1134 I HN 0.250 nan 8.210 nan 0.000 0.409 1135 R N 1.569 122.012 120.500 -0.094 0.000 2.097 1135 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 1135 R C 1.839 178.099 176.300 -0.067 0.000 1.135 1135 R CA 2.253 58.299 56.100 -0.090 0.000 0.934 1135 R CB -0.303 29.907 30.300 -0.150 0.000 0.846 1135 R HN 0.465 nan 8.270 nan 0.000 0.431 1136 S N -1.084 114.567 115.700 -0.082 0.000 2.859 1136 S HA 0.317 4.787 4.470 -0.000 0.000 0.245 1136 S C 0.586 175.159 174.600 -0.046 0.000 1.008 1136 S CA 0.086 58.253 58.200 -0.055 0.000 1.089 1136 S CB 1.147 64.308 63.200 -0.064 0.000 0.798 1136 S HN 0.463 nan 8.310 nan 0.000 0.477 1137 A N 0.212 123.008 122.820 -0.040 0.000 2.600 1137 A HA 0.499 4.819 4.320 -0.000 0.000 0.252 1137 A C 1.274 178.850 177.584 -0.014 0.000 1.200 1137 A CA -0.189 51.830 52.037 -0.030 0.000 0.981 1137 A CB 0.238 19.216 19.000 -0.036 0.000 1.207 1137 A HN 0.477 nan 8.150 nan 0.000 0.577 1138 I N -0.183 120.381 120.570 -0.010 0.000 3.136 1138 I HA 0.090 4.260 4.170 -0.000 0.000 0.262 1138 I C 1.002 177.137 176.117 0.031 0.000 1.132 1138 I CA 0.500 61.803 61.300 0.005 0.000 1.450 1138 I CB -0.742 37.254 38.000 -0.006 0.000 1.315 1138 I HN 0.452 nan 8.210 nan 0.000 0.460 1139 E N 2.098 122.317 120.200 0.032 0.000 2.606 1139 E HA -0.175 4.175 4.350 -0.000 0.000 0.248 1139 E C -0.157 176.490 176.600 0.078 0.000 1.005 1139 E CA 0.182 56.619 56.400 0.062 0.000 0.946 1139 E CB 0.120 29.864 29.700 0.073 0.000 0.928 1139 E HN 0.142 nan 8.360 nan 0.000 0.494 1140 H N 3.033 122.100 119.070 -0.006 0.000 2.928 1140 H HA 0.094 4.649 4.556 -0.000 0.000 0.338 1140 H C -0.905 174.416 175.328 -0.012 0.000 1.047 1140 H CA 0.642 56.682 56.048 -0.013 0.000 1.435 1140 H CB 0.686 30.439 29.762 -0.015 0.000 1.428 1140 H HN 0.371 nan 8.280 nan 0.000 0.590 1141 T N 4.587 118.886 114.554 -0.426 0.000 3.089 1141 T HA 0.191 4.540 4.350 -0.000 0.000 0.340 1141 T C -0.555 173.921 174.700 -0.372 0.000 1.008 1141 T CA -0.886 61.045 62.100 -0.281 0.000 1.096 1141 T CB 0.230 69.008 68.868 -0.149 0.000 1.024 1141 T HN 0.700 nan 8.240 nan 0.000 0.477 1142 T N 1.280 115.650 114.554 -0.307 0.000 2.913 1142 T HA 0.333 4.683 4.350 -0.000 0.000 0.297 1142 T C 1.445 176.083 174.700 -0.104 0.000 1.029 1142 T CA -0.916 61.071 62.100 -0.188 0.000 1.104 1142 T CB 1.021 69.848 68.868 -0.070 0.000 0.964 1142 T HN 0.244 nan 8.240 nan 0.000 0.532 1143 L N 1.439 122.616 121.223 -0.076 0.000 2.129 1143 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 1143 L C 2.464 179.318 176.870 -0.027 0.000 1.087 1143 L CA 1.825 56.637 54.840 -0.046 0.000 0.757 1143 L CB -0.992 41.052 42.059 -0.024 0.000 0.896 1143 L HN 0.883 nan 8.230 nan 0.000 0.434 1144 K N -0.598 119.791 120.400 -0.018 0.000 2.160 1144 K HA -0.182 4.137 4.320 -0.000 0.000 0.206 1144 K C 1.900 178.493 176.600 -0.011 0.000 1.047 1144 K CA 1.578 57.861 56.287 -0.006 0.000 0.930 1144 K CB -0.189 32.312 32.500 0.003 0.000 0.720 1144 K HN 0.644 nan 8.250 nan 0.000 0.450 1145 S N -0.482 115.203 115.700 -0.025 0.000 2.607 1145 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 1145 S C 1.114 175.698 174.600 -0.028 0.000 0.969 1145 S CA 0.495 58.679 58.200 -0.027 0.000 0.927 1145 S CB 0.289 63.467 63.200 -0.037 0.000 0.772 1145 S HN 0.197 nan 8.310 nan 0.000 0.533 1146 V N -2.038 117.860 119.914 -0.026 0.000 3.078 1146 V HA 0.408 4.528 4.120 -0.000 0.000 0.344 1146 V C -0.248 175.840 176.094 -0.011 0.000 1.409 1146 V CA -0.530 61.757 62.300 -0.022 0.000 1.146 1146 V CB -0.445 31.359 31.823 -0.032 0.000 1.126 1146 V HN 0.240 nan 8.190 nan 0.000 0.513 1147 T N 2.250 116.802 114.554 -0.004 0.000 2.756 1147 T HA 0.556 4.906 4.350 -0.000 0.000 0.290 1147 T C 1.074 175.780 174.700 0.010 0.000 0.985 1147 T CA -0.289 61.815 62.100 0.007 0.000 0.955 1147 T CB 2.162 71.038 68.868 0.013 0.000 0.930 1147 T HN -0.009 nan 8.240 nan 0.000 0.451 1148 I N 1.910 122.488 120.570 0.014 0.000 2.141 1148 I HA 0.129 4.299 4.170 -0.000 0.000 0.236 1148 I C 1.345 177.476 176.117 0.023 0.000 1.071 1148 I CA 0.980 62.291 61.300 0.017 0.000 1.345 1148 I CB -0.660 37.351 38.000 0.018 0.000 1.066 1148 I HN 0.649 nan 8.210 nan 0.000 0.406 1149 A N 0.522 123.361 122.820 0.032 0.000 2.476 1149 A HA 0.451 4.771 4.320 -0.000 0.000 0.280 1149 A C -0.107 177.510 177.584 0.055 0.000 1.081 1149 A CA -0.425 51.637 52.037 0.042 0.000 0.753 1149 A CB 0.800 19.828 19.000 0.048 0.000 1.248 1149 A HN 0.268 nan 8.150 nan 0.000 0.424 1150 S N 2.641 118.372 115.700 0.052 0.000 2.411 1150 S HA 0.563 5.033 4.470 -0.000 0.000 0.294 1150 S C -0.295 174.353 174.600 0.080 0.000 1.115 1150 S CA -0.307 57.930 58.200 0.062 0.000 1.071 1150 S CB 0.052 63.282 63.200 0.049 0.000 0.967 1150 S HN 0.764 nan 8.310 nan 0.000 0.488 1151 E N 3.650 123.926 120.200 0.127 0.000 2.288 1151 E HA 0.636 4.986 4.350 -0.000 0.000 0.268 1151 E C -1.041 175.721 176.600 0.269 0.000 0.885 1151 E CA -1.066 55.450 56.400 0.192 0.000 0.767 1151 E CB 1.376 31.264 29.700 0.314 0.000 1.220 1151 E HN 0.573 nan 8.360 nan 0.000 0.427 1152 I N 2.018 122.712 120.570 0.207 0.000 2.437 1152 I HA 0.383 4.553 4.170 -0.000 0.000 0.298 1152 I C -1.083 175.222 176.117 0.312 0.000 0.984 1152 I CA -0.865 60.576 61.300 0.235 0.000 1.214 1152 I CB 0.868 38.897 38.000 0.049 0.000 1.365 1152 I HN 0.524 nan 8.210 nan 0.000 0.469 1153 Y N 3.493 123.895 120.300 0.171 0.000 2.553 1153 Y HA 0.278 4.828 4.550 -0.000 0.000 0.347 1153 Y C -0.802 175.328 175.900 0.382 0.000 1.019 1153 Y CA -0.985 57.249 58.100 0.224 0.000 1.032 1153 Y CB 1.496 40.033 38.460 0.127 0.000 1.284 1153 Y HN 0.341 nan 8.280 nan 0.000 0.466 1154 Y N 2.366 122.881 120.300 0.359 0.000 2.595 1154 Y HA 0.380 4.929 4.550 -0.000 0.000 0.347 1154 Y C -0.850 175.068 175.900 0.029 0.000 1.025 1154 Y CA -0.389 57.765 58.100 0.090 0.000 1.295 1154 Y CB 0.174 38.589 38.460 -0.075 0.000 1.147 1154 Y HN 0.563 nan 8.280 nan 0.000 0.515 1155 D N 8.033 128.314 120.400 -0.199 0.000 2.440 1155 D HA 0.313 4.952 4.640 -0.000 0.000 0.239 1155 D C -2.034 174.010 176.300 -0.426 0.000 1.084 1155 D CA -2.178 51.708 54.000 -0.190 0.000 0.843 1155 D CB 1.882 42.634 40.800 -0.080 0.000 1.097 1155 D HN 0.274 nan 8.370 nan 0.000 0.531 1156 P HA 0.070 nan 4.420 nan 0.000 0.215 1156 P C -0.015 177.151 177.300 -0.222 0.000 1.144 1156 P CA 0.187 63.059 63.100 -0.380 0.000 0.874 1156 P CB 0.350 31.927 31.700 -0.205 0.000 0.796 1157 D N 0.668 120.980 120.400 -0.147 0.000 2.453 1157 D HA 0.136 4.776 4.640 -0.000 0.000 0.223 1157 D C -1.703 174.514 176.300 -0.138 0.000 1.183 1157 D CA -2.300 51.628 54.000 -0.120 0.000 0.933 1157 D CB 0.598 41.353 40.800 -0.076 0.000 1.038 1157 D HN -0.030 nan 8.370 nan 0.000 0.513 1158 P HA -0.086 nan 4.420 nan 0.000 0.220 1158 P C 1.255 178.436 177.300 -0.199 0.000 1.148 1158 P CA 0.717 63.691 63.100 -0.211 0.000 0.803 1158 P CB 0.338 31.877 31.700 -0.268 0.000 0.782 1159 R N -0.797 119.616 120.500 -0.145 0.000 2.075 1159 R HA 0.132 4.472 4.340 -0.000 0.000 0.226 1159 R C 0.587 176.848 176.300 -0.066 0.000 1.114 1159 R CA 0.934 56.978 56.100 -0.094 0.000 0.972 1159 R CB -0.924 29.342 30.300 -0.056 0.000 0.869 1159 R HN 0.110 nan 8.270 nan 0.000 0.437 1160 S N 1.547 117.207 115.700 -0.067 0.000 2.577 1160 S HA 0.214 4.684 4.470 -0.000 0.000 0.294 1160 S C -0.480 174.089 174.600 -0.052 0.000 1.161 1160 S CA -0.319 57.852 58.200 -0.048 0.000 1.143 1160 S CB 1.770 64.949 63.200 -0.034 0.000 0.991 1160 S HN 0.058 nan 8.310 nan 0.000 0.475 1161 T N 2.574 117.095 114.554 -0.056 0.000 2.916 1161 T HA 0.086 4.436 4.350 -0.000 0.000 0.303 1161 T C 1.748 176.435 174.700 -0.022 0.000 1.025 1161 T CA -0.227 61.841 62.100 -0.054 0.000 1.142 1161 T CB 0.920 69.746 68.868 -0.071 0.000 0.947 1161 T HN 0.315 nan 8.240 nan 0.000 0.544 1162 V N 3.956 123.872 119.914 0.003 0.000 2.515 1162 V HA -0.057 4.063 4.120 -0.000 0.000 0.250 1162 V C 1.147 177.268 176.094 0.044 0.000 1.058 1162 V CA 1.265 63.588 62.300 0.038 0.000 1.064 1162 V CB -0.576 31.297 31.823 0.083 0.000 0.675 1162 V HN 0.724 nan 8.190 nan 0.000 0.461 1163 I N 1.992 122.581 120.570 0.032 0.000 2.556 1163 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 1163 I C -1.255 174.865 176.117 0.005 0.000 1.114 1163 I CA -1.250 60.067 61.300 0.029 0.000 1.418 1163 I CB 0.327 38.311 38.000 -0.027 0.000 1.394 1163 I HN 0.091 nan 8.210 nan 0.000 0.552 1164 P HA 0.083 nan 4.420 nan 0.000 0.261 1164 P C 0.763 178.066 177.300 0.006 0.000 1.268 1164 P CA 0.480 63.586 63.100 0.010 0.000 0.833 1164 P CB 0.338 32.048 31.700 0.017 0.000 1.231 1165 E N 0.258 120.461 120.200 0.005 0.000 2.152 1165 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 1165 E C -0.129 176.467 176.600 -0.006 0.000 0.983 1165 E CA 0.706 57.108 56.400 0.003 0.000 0.818 1165 E CB -0.143 29.561 29.700 0.006 0.000 0.758 1165 E HN 0.288 nan 8.360 nan 0.000 0.467 1166 D N 0.834 121.222 120.400 -0.020 0.000 2.499 1166 D HA 0.056 4.695 4.640 -0.000 0.000 0.225 1166 D C 0.143 176.431 176.300 -0.020 0.000 1.124 1166 D CA 0.135 54.121 54.000 -0.025 0.000 0.938 1166 D CB 0.911 41.682 40.800 -0.049 0.000 1.014 1166 D HN 0.075 nan 8.370 nan 0.000 0.517 1167 E N 1.084 121.278 120.200 -0.010 0.000 2.460 1167 E HA -0.003 4.346 4.350 -0.000 0.000 0.200 1167 E C -0.108 176.488 176.600 -0.006 0.000 1.011 1167 E CA 0.256 56.651 56.400 -0.008 0.000 0.912 1167 E CB 0.688 30.387 29.700 -0.002 0.000 0.953 1167 E HN 0.252 nan 8.360 nan 0.000 0.494 1168 E N 0.487 120.685 120.200 -0.003 0.000 3.386 1168 E HA 0.190 4.540 4.350 -0.000 0.000 0.236 1168 E C -0.313 176.289 176.600 0.002 0.000 1.227 1168 E CA -0.021 56.378 56.400 -0.001 0.000 0.970 1168 E CB 0.546 30.249 29.700 0.005 0.000 1.343 1168 E HN 0.148 nan 8.360 nan 0.000 0.397 1169 I N 1.233 121.805 120.570 0.003 0.000 3.990 1169 I HA 0.127 4.296 4.170 -0.000 0.000 0.275 1169 I C 0.941 177.090 176.117 0.052 0.000 1.157 1169 I CA -0.059 61.242 61.300 0.002 0.000 1.338 1169 I CB 0.578 38.564 38.000 -0.023 0.000 1.588 1169 I HN 0.336 nan 8.210 nan 0.000 0.441 1170 I N 0.041 120.677 120.570 0.110 0.000 4.063 1170 I HA -0.381 3.789 4.170 -0.000 0.000 0.156 1170 I C 1.374 177.533 176.117 0.070 0.000 1.137 1170 I CA 1.740 63.061 61.300 0.035 0.000 1.255 1170 I CB -0.593 37.382 38.000 -0.042 0.000 1.568 1170 I HN 0.476 nan 8.210 nan 0.000 0.223 1171 Q N -1.630 118.200 119.800 0.049 0.000 2.104 1171 Q HA 0.260 4.599 4.340 -0.000 0.000 0.240 1171 Q C 1.154 177.022 176.000 -0.219 0.000 0.743 1171 Q CA 0.250 56.017 55.803 -0.061 0.000 0.920 1171 Q CB 0.425 29.138 28.738 -0.041 0.000 1.198 1171 Q HN 0.416 nan 8.270 nan 0.000 0.465 1172 L N 1.509 122.646 121.223 -0.144 0.000 2.467 1172 L HA 0.111 4.451 4.340 -0.000 0.000 0.193 1172 L C -0.133 176.398 176.870 -0.565 0.000 1.324 1172 L CA 1.828 56.515 54.840 -0.255 0.000 2.976 1172 L CB -0.722 41.308 42.059 -0.048 0.000 2.863 1172 L HN 0.592 nan 8.230 nan 0.000 1.094 1173 H N -2.234 116.709 119.070 -0.212 0.000 2.542 1173 H HA -0.228 4.328 4.556 -0.000 0.000 0.313 1173 H C -1.201 174.004 175.328 -0.206 0.000 0.960 1173 H CA 0.358 56.305 56.048 -0.169 0.000 1.032 1173 H CB -2.894 26.795 29.762 -0.123 0.000 1.620 1173 H HN 0.186 nan 8.280 nan 0.000 0.346 1174 F N 2.612 122.503 119.950 -0.099 0.000 2.566 1174 F HA 0.299 4.826 4.527 -0.000 0.000 0.349 1174 F C 1.059 176.846 175.800 -0.022 0.000 1.245 1174 F CA 0.518 58.457 58.000 -0.101 0.000 1.169 1174 F CB 0.613 39.565 39.000 -0.082 0.000 1.470 1174 F HN 0.609 nan 8.300 nan 0.000 0.634 1175 S N 1.809 117.586 115.700 0.128 0.000 2.738 1175 S HA 0.678 5.148 4.470 -0.000 0.000 0.284 1175 S C 0.179 174.848 174.600 0.115 0.000 1.146 1175 S CA -0.340 57.939 58.200 0.131 0.000 0.997 1175 S CB 0.587 63.873 63.200 0.143 0.000 1.081 1175 S HN 0.520 nan 8.310 nan 0.000 0.553 1176 L N 0.196 121.470 121.223 0.085 0.000 4.021 1176 L HA -0.106 4.234 4.340 -0.000 0.000 0.400 1176 L C 0.340 177.241 176.870 0.052 0.000 1.180 1176 L CA 0.399 55.278 54.840 0.064 0.000 0.904 1176 L CB -1.885 40.208 42.059 0.056 0.000 2.111 1176 L HN 0.589 nan 8.230 nan 0.000 0.722 1177 L N -0.670 120.583 121.223 0.050 0.000 2.467 1177 L HA 0.510 4.850 4.340 -0.000 0.000 0.213 1177 L C 0.796 177.681 176.870 0.025 0.000 1.053 1177 L CA 1.578 56.440 54.840 0.036 0.000 0.847 1177 L CB 0.306 42.389 42.059 0.039 0.000 1.075 1177 L HN 0.431 nan 8.230 nan 0.000 0.479 1178 D N -0.277 120.139 120.400 0.028 0.000 10.757 1178 D HA -0.112 4.528 4.640 -0.000 0.000 0.352 1178 D C -0.440 175.881 176.300 0.035 0.000 3.129 1178 D CA 1.061 55.083 54.000 0.035 0.000 2.630 1178 D CB -0.032 40.796 40.800 0.047 0.000 1.214 1178 D HN 0.474 nan 8.370 nan 0.000 0.943 1188 Q N -1.123 118.609 119.800 -0.113 0.000 2.728 1188 Q HA 0.691 5.031 4.340 -0.000 0.000 0.378 1188 Q C -1.723 174.191 176.000 -0.142 0.000 0.670 1188 Q CA -0.089 55.618 55.803 -0.161 0.000 0.915 1188 Q CB 1.854 30.502 28.738 -0.151 0.000 1.128 1188 Q HN 0.111 nan 8.270 nan 0.000 0.483 1189 S N -0.091 115.514 115.700 -0.158 0.000 2.583 1189 S HA 0.354 4.824 4.470 -0.000 0.000 0.294 1189 S C -2.529 171.965 174.600 -0.178 0.000 1.121 1189 S CA -0.906 57.221 58.200 -0.123 0.000 0.910 1189 S CB 1.350 64.501 63.200 -0.082 0.000 1.102 1189 S HN 0.492 nan 8.310 nan 0.000 0.451 1190 P HA 0.120 nan 4.420 nan 0.000 0.213 1190 P C 0.005 177.020 177.300 -0.476 0.000 1.169 1190 P CA 0.746 63.586 63.100 -0.434 0.000 0.885 1190 P CB -0.056 31.334 31.700 -0.515 0.000 0.779 1191 W N 0.430 121.627 121.300 -0.171 0.000 2.311 1191 W HA 0.355 5.015 4.660 -0.000 0.000 0.310 1191 W C 0.952 177.421 176.519 -0.083 0.000 1.274 1191 W CA -0.922 56.352 57.345 -0.119 0.000 1.215 1191 W CB 0.275 29.707 29.460 -0.047 0.000 1.227 1191 W HN -0.068 nan 8.180 nan 0.000 0.523 1192 L N 3.818 125.174 121.223 0.220 0.000 2.506 1192 L HA 0.600 4.940 4.340 -0.000 0.000 0.199 1192 L C -0.605 176.355 176.870 0.150 0.000 1.178 1192 L CA -0.341 54.579 54.840 0.132 0.000 0.868 1192 L CB 0.375 42.501 42.059 0.111 0.000 1.451 1192 L HN 0.376 nan 8.230 nan 0.000 0.526 1193 L N 0.543 121.824 121.223 0.096 0.000 2.902 1193 L HA 0.444 4.784 4.340 -0.000 0.000 0.261 1193 L C -1.152 175.747 176.870 0.049 0.000 0.928 1193 L CA -0.276 54.619 54.840 0.092 0.000 1.024 1193 L CB 1.184 43.277 42.059 0.057 0.000 1.629 1193 L HN 0.693 nan 8.230 nan 0.000 0.478 1194 R N 3.509 124.044 120.500 0.058 0.000 2.902 1194 R HA 0.974 5.314 4.340 -0.000 0.000 0.258 1194 R C -1.627 174.699 176.300 0.043 0.000 1.071 1194 R CA -0.793 55.309 56.100 0.002 0.000 1.024 1194 R CB 1.539 31.785 30.300 -0.089 0.000 1.184 1194 R HN 0.759 nan 8.270 nan 0.000 0.492 1195 L N 1.824 123.067 121.223 0.033 0.000 2.611 1195 L HA 0.302 4.642 4.340 -0.000 0.000 0.263 1195 L C -0.978 175.913 176.870 0.036 0.000 0.969 1195 L CA -0.423 54.443 54.840 0.043 0.000 0.894 1195 L CB 2.045 44.134 42.059 0.049 0.000 1.229 1195 L HN 0.679 nan 8.230 nan 0.000 0.416 1196 E N 3.249 123.471 120.200 0.035 0.000 2.331 1196 E HA 0.605 4.955 4.350 -0.000 0.000 0.272 1196 E C -1.259 175.356 176.600 0.025 0.000 1.036 1196 E CA -0.362 56.055 56.400 0.030 0.000 0.864 1196 E CB 1.168 30.887 29.700 0.033 0.000 1.035 1196 E HN 0.408 nan 8.360 nan 0.000 0.408 1197 L N 3.125 124.360 121.223 0.020 0.000 2.370 1197 L HA 0.318 4.658 4.340 -0.000 0.000 0.266 1197 L C -0.810 176.064 176.870 0.007 0.000 1.002 1197 L CA -1.356 53.491 54.840 0.010 0.000 0.818 1197 L CB 1.830 43.891 42.059 0.004 0.000 1.325 1197 L HN 0.615 nan 8.230 nan 0.000 0.418 1198 D N 0.872 121.273 120.400 0.002 0.000 2.351 1198 D HA 0.043 4.683 4.640 -0.000 0.000 0.251 1198 D C 0.697 176.996 176.300 -0.002 0.000 1.137 1198 D CA -0.522 53.479 54.000 0.001 0.000 0.879 1198 D CB 1.238 42.036 40.800 -0.003 0.000 1.181 1198 D HN 0.354 nan 8.370 nan 0.000 0.448 1199 R N 2.325 122.826 120.500 0.001 0.000 2.189 1199 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 1199 R C 1.803 178.102 176.300 -0.003 0.000 1.092 1199 R CA 1.462 57.562 56.100 -0.000 0.000 0.989 1199 R CB -0.478 29.824 30.300 0.004 0.000 0.876 1199 R HN 0.597 nan 8.270 nan 0.000 0.457 1200 A N 0.366 123.184 122.820 -0.003 0.000 1.824 1200 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 1200 A C 2.118 179.698 177.584 -0.008 0.000 1.209 1200 A CA 1.646 53.680 52.037 -0.005 0.000 0.614 1200 A CB -1.200 17.796 19.000 -0.006 0.000 0.852 1200 A HN 0.415 nan 8.150 nan 0.000 0.447 1201 A N -1.644 121.168 122.820 -0.012 0.000 2.276 1201 A HA 0.275 4.595 4.320 -0.000 0.000 0.212 1201 A C 1.667 179.241 177.584 -0.016 0.000 1.230 1201 A CA 0.731 52.758 52.037 -0.016 0.000 0.844 1201 A CB -0.425 18.560 19.000 -0.024 0.000 0.860 1201 A HN 0.416 nan 8.150 nan 0.000 0.486 1202 M N -0.105 119.485 119.600 -0.016 0.000 2.349 1202 M HA -0.004 4.476 4.480 -0.000 0.000 0.266 1202 M C 1.209 177.500 176.300 -0.016 0.000 1.076 1202 M CA 0.916 56.204 55.300 -0.021 0.000 1.126 1202 M CB -1.375 31.212 32.600 -0.022 0.000 1.392 1202 M HN 0.377 nan 8.290 nan 0.000 0.440 1203 N N 0.972 119.667 118.700 -0.008 0.000 2.171 1203 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 1203 N C 1.304 176.817 175.510 0.006 0.000 1.021 1203 N CA 1.155 54.202 53.050 -0.004 0.000 0.854 1203 N CB -0.350 38.136 38.487 -0.000 0.000 0.994 1203 N HN 0.253 nan 8.380 nan 0.000 0.426 1204 D N 0.697 121.108 120.400 0.018 0.000 2.075 1204 D HA -0.002 4.637 4.640 -0.000 0.000 0.196 1204 D C 0.112 176.456 176.300 0.075 0.000 0.985 1204 D CA 1.301 55.335 54.000 0.057 0.000 0.834 1204 D CB -0.021 40.810 40.800 0.051 0.000 0.987 1204 D HN 0.167 nan 8.370 nan 0.000 0.452 1205 K N 1.381 121.809 120.400 0.047 0.000 2.276 1205 K HA 0.197 4.517 4.320 -0.000 0.000 0.283 1205 K C -0.644 175.951 176.600 -0.007 0.000 1.044 1205 K CA -0.166 56.140 56.287 0.030 0.000 0.944 1205 K CB 1.004 33.507 32.500 0.006 0.000 1.012 1205 K HN -0.018 nan 8.250 nan 0.000 0.472 1206 D N 3.601 123.987 120.400 -0.023 0.000 2.339 1206 D HA 0.220 4.860 4.640 -0.000 0.000 0.241 1206 D C -0.633 175.637 176.300 -0.049 0.000 1.183 1206 D CA 0.069 54.047 54.000 -0.037 0.000 0.859 1206 D CB 0.605 41.378 40.800 -0.045 0.000 1.067 1206 D HN 0.247 nan 8.370 nan 0.000 0.484 1207 L N 1.928 123.120 121.223 -0.052 0.000 2.562 1207 L HA 0.183 4.523 4.340 -0.000 0.000 0.266 1207 L C 0.272 177.097 176.870 -0.075 0.000 0.949 1207 L CA -0.785 54.013 54.840 -0.070 0.000 0.879 1207 L CB 2.314 44.327 42.059 -0.076 0.000 1.278 1207 L HN 0.239 nan 8.230 nan 0.000 0.404 1208 T N -0.850 113.651 114.554 -0.088 0.000 2.897 1208 T HA 0.230 4.579 4.350 -0.000 0.000 0.294 1208 T C 1.339 175.945 174.700 -0.157 0.000 1.004 1208 T CA -0.788 61.254 62.100 -0.098 0.000 1.106 1208 T CB 1.431 70.248 68.868 -0.085 0.000 0.949 1208 T HN 0.475 nan 8.240 nan 0.000 0.520 1209 M N 2.166 121.666 119.600 -0.166 0.000 2.192 1209 M HA -0.100 4.380 4.480 -0.000 0.000 0.259 1209 M C 2.409 178.386 176.300 -0.538 0.000 1.071 1209 M CA 1.969 57.113 55.300 -0.261 0.000 1.082 1209 M CB -1.632 30.863 32.600 -0.175 0.000 1.373 1209 M HN 1.013 nan 8.290 nan 0.000 0.408 1210 G N -0.891 107.588 108.800 -0.536 0.000 2.433 1210 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 1210 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 1210 G C 1.346 175.909 174.900 -0.563 0.000 1.186 1210 G CA 0.771 45.434 45.100 -0.727 0.000 0.779 1210 G HN 0.498 nan 8.290 nan 0.000 0.543 1211 Q N -0.234 119.376 119.800 -0.317 0.000 2.133 1211 Q HA -0.177 4.163 4.340 -0.000 0.000 0.208 1211 Q C 2.777 178.632 176.000 -0.242 0.000 0.991 1211 Q CA 1.979 57.649 55.803 -0.222 0.000 0.867 1211 Q CB -0.217 28.430 28.738 -0.151 0.000 0.911 1211 Q HN 0.385 nan 8.270 nan 0.000 0.417 1212 V N -0.237 119.508 119.914 -0.282 0.000 2.233 1212 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 1212 V C 2.275 178.207 176.094 -0.271 0.000 1.050 1212 V CA 2.031 64.189 62.300 -0.236 0.000 1.010 1212 V CB -1.535 30.160 31.823 -0.214 0.000 0.637 1212 V HN 0.621 nan 8.190 nan 0.000 0.444 1213 G N -0.492 107.992 108.800 -0.527 0.000 2.476 1213 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.218 1213 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.218 1213 G C 1.525 176.289 174.900 -0.226 0.000 1.164 1213 G CA 1.323 46.085 45.100 -0.564 0.000 0.768 1213 G HN 0.533 nan 8.290 nan 0.000 0.560 1214 E N 0.090 120.126 120.200 -0.274 0.000 2.077 1214 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 1214 E C 2.524 179.105 176.600 -0.033 0.000 0.989 1214 E CA 0.916 57.274 56.400 -0.070 0.000 0.800 1214 E CB -0.185 29.472 29.700 -0.072 0.000 0.746 1214 E HN 0.286 nan 8.360 nan 0.000 0.452 1215 R N 0.058 120.516 120.500 -0.071 0.000 2.115 1215 R HA 0.017 4.357 4.340 -0.000 0.000 0.230 1215 R C 2.096 178.383 176.300 -0.023 0.000 1.111 1215 R CA 1.174 57.242 56.100 -0.052 0.000 0.976 1215 R CB -0.467 29.790 30.300 -0.073 0.000 0.870 1215 R HN 0.288 nan 8.270 nan 0.000 0.445 1216 I N 0.324 120.903 120.570 0.016 0.000 2.127 1216 I HA -0.317 3.852 4.170 -0.000 0.000 0.241 1216 I C 2.474 178.723 176.117 0.219 0.000 1.075 1216 I CA 1.624 62.997 61.300 0.121 0.000 1.334 1216 I CB -0.400 37.706 38.000 0.177 0.000 1.040 1216 I HN 0.182 nan 8.210 nan 0.000 0.405 1217 K N 0.848 121.365 120.400 0.196 0.000 2.057 1217 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 1217 K C 2.173 178.863 176.600 0.150 0.000 1.049 1217 K CA 1.534 57.951 56.287 0.217 0.000 0.931 1217 K CB -0.116 32.475 32.500 0.152 0.000 0.714 1217 K HN 0.347 nan 8.250 nan 0.000 0.440 1218 Q N -0.408 119.431 119.800 0.065 0.000 2.308 1218 Q HA -0.156 4.184 4.340 -0.000 0.000 0.209 1218 Q C 1.638 177.625 176.000 -0.021 0.000 0.985 1218 Q CA 1.810 57.624 55.803 0.019 0.000 0.881 1218 Q CB 0.033 28.766 28.738 -0.008 0.000 0.917 1218 Q HN 0.375 nan 8.270 nan 0.000 0.443 1219 T N -0.586 113.916 114.554 -0.086 0.000 2.852 1219 T HA -0.011 4.338 4.350 -0.000 0.000 0.256 1219 T C 1.137 175.667 174.700 -0.284 0.000 1.038 1219 T CA 0.786 62.725 62.100 -0.269 0.000 1.141 1219 T CB -0.064 68.495 68.868 -0.514 0.000 0.869 1219 T HN 0.216 nan 8.240 nan 0.000 0.439 1220 F N 0.903 120.865 119.950 0.020 0.000 2.387 1220 F HA 0.321 4.847 4.527 -0.000 0.000 0.294 1220 F C 1.358 177.173 175.800 0.025 0.000 1.093 1220 F CA 0.038 58.053 58.000 0.024 0.000 1.420 1220 F CB -0.075 38.944 39.000 0.031 0.000 1.086 1220 F HN -0.039 nan 8.300 nan 0.000 0.531 1221 K N -0.449 120.074 120.400 0.206 0.000 5.647 1221 K HA -0.299 4.021 4.320 -0.000 0.000 0.463 1221 K C -0.044 176.634 176.600 0.130 0.000 1.759 1221 K CA 0.883 57.248 56.287 0.129 0.000 0.955 1221 K CB -1.395 31.159 32.500 0.090 0.000 1.358 1221 K HN 0.127 nan 8.250 nan 0.000 0.433 1222 N N 2.040 120.798 118.700 0.096 0.000 2.362 1222 N HA -0.024 4.716 4.740 -0.000 0.000 0.211 1222 N C -0.446 175.113 175.510 0.081 0.000 1.170 1222 N CA 0.267 53.366 53.050 0.082 0.000 0.828 1222 N CB -0.001 38.526 38.487 0.065 0.000 1.034 1222 N HN 0.259 nan 8.380 nan 0.000 0.475 1223 D N 0.796 121.251 120.400 0.091 0.000 2.755 1223 D HA 0.117 4.757 4.640 -0.000 0.000 0.257 1223 D C -0.163 176.142 176.300 0.008 0.000 1.291 1223 D CA -0.109 53.928 54.000 0.063 0.000 0.836 1223 D CB 0.441 41.281 40.800 0.067 0.000 1.059 1223 D HN 0.135 nan 8.370 nan 0.000 0.486 1224 L N -0.383 120.844 121.223 0.007 0.000 2.787 1224 L HA 0.359 4.698 4.340 -0.000 0.000 0.260 1224 L C -1.700 175.192 176.870 0.037 0.000 0.921 1224 L CA -0.870 53.938 54.840 -0.054 0.000 0.984 1224 L CB 1.812 43.677 42.059 -0.324 0.000 1.519 1224 L HN -0.191 nan 8.230 nan 0.000 0.452 1225 F N 4.706 124.607 119.950 -0.082 0.000 2.444 1225 F HA 0.720 5.247 4.527 -0.000 0.000 0.331 1225 F C -0.243 175.521 175.800 -0.060 0.000 1.167 1225 F CA 0.392 58.349 58.000 -0.070 0.000 1.262 1225 F CB 1.310 40.253 39.000 -0.095 0.000 1.196 1225 F HN 0.213 nan 8.300 nan 0.000 0.583 1226 V N 5.150 124.783 119.914 -0.468 0.000 2.817 1226 V HA 0.499 4.619 4.120 -0.000 0.000 0.303 1226 V C -0.561 175.262 176.094 -0.451 0.000 1.151 1226 V CA -0.899 61.266 62.300 -0.226 0.000 0.929 1226 V CB 1.411 33.234 31.823 0.001 0.000 1.030 1226 V HN 0.625 nan 8.190 nan 0.000 0.427 1227 I N 2.208 122.626 120.570 -0.252 0.000 3.264 1227 I HA 0.936 5.106 4.170 -0.000 0.000 0.315 1227 I C -1.294 174.755 176.117 -0.112 0.000 1.154 1227 I CA -0.666 60.331 61.300 -0.504 0.000 0.962 1227 I CB 2.526 40.347 38.000 -0.299 0.000 1.265 1227 I HN 0.854 nan 8.210 nan 0.000 0.463 1228 W N -0.032 121.254 121.300 -0.022 0.000 3.173 1228 W HA 0.727 5.387 4.660 -0.000 0.000 0.313 1228 W C -1.560 174.956 176.519 -0.005 0.000 1.228 1228 W CA -0.723 56.613 57.345 -0.015 0.000 1.185 1228 W CB 0.170 29.620 29.460 -0.018 0.000 1.390 1228 W HN 0.333 nan 8.180 nan 0.000 0.568 1229 S N 0.465 116.325 115.700 0.267 0.000 2.707 1229 S HA 0.347 4.817 4.470 -0.000 0.000 0.276 1229 S C -0.466 174.272 174.600 0.229 0.000 1.179 1229 S CA -0.601 57.707 58.200 0.179 0.000 0.992 1229 S CB 1.176 64.436 63.200 0.100 0.000 1.030 1229 S HN 0.518 nan 8.310 nan 0.000 0.554 1230 E N -0.080 120.212 120.200 0.153 0.000 2.319 1230 E HA 0.099 4.449 4.350 -0.000 0.000 0.268 1230 E C 0.011 176.654 176.600 0.073 0.000 1.050 1230 E CA -0.602 55.873 56.400 0.125 0.000 0.878 1230 E CB 0.582 30.341 29.700 0.099 0.000 1.066 1230 E HN 0.471 nan 8.360 nan 0.000 0.406 1231 D N 2.335 122.763 120.400 0.047 0.000 2.149 1231 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 1231 D C 1.087 177.401 176.300 0.023 0.000 0.990 1231 D CA 1.010 55.023 54.000 0.022 0.000 0.839 1231 D CB -0.060 40.742 40.800 0.004 0.000 0.948 1231 D HN 0.367 nan 8.370 nan 0.000 0.460 1232 N N 0.975 119.692 118.700 0.028 0.000 2.149 1232 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 1232 N C 0.371 175.895 175.510 0.025 0.000 1.019 1232 N CA 0.711 53.775 53.050 0.024 0.000 0.857 1232 N CB -0.262 38.240 38.487 0.026 0.000 0.997 1232 N HN 0.240 nan 8.380 nan 0.000 0.426 1233 D N 0.161 120.580 120.400 0.032 0.000 2.352 1233 D HA -0.043 4.597 4.640 -0.000 0.000 0.238 1233 D C 1.222 177.536 176.300 0.024 0.000 1.286 1233 D CA 0.132 54.150 54.000 0.030 0.000 0.923 1233 D CB 0.632 41.454 40.800 0.037 0.000 1.146 1233 D HN 0.126 nan 8.370 nan 0.000 0.471 1234 E N -0.441 119.772 120.200 0.022 0.000 2.190 1234 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 1234 E C 0.030 176.642 176.600 0.019 0.000 0.978 1234 E CA 0.420 56.831 56.400 0.018 0.000 0.839 1234 E CB 0.356 30.066 29.700 0.016 0.000 0.787 1234 E HN 0.063 nan 8.360 nan 0.000 0.473 1235 K N 0.936 121.349 120.400 0.022 0.000 2.339 1235 K HA 0.319 4.639 4.320 -0.000 0.000 0.264 1235 K C -1.252 175.366 176.600 0.029 0.000 0.986 1235 K CA -0.217 56.084 56.287 0.022 0.000 0.866 1235 K CB 0.980 33.492 32.500 0.019 0.000 1.103 1235 K HN -0.076 nan 8.250 nan 0.000 0.441 1236 L N 6.659 127.899 121.223 0.029 0.000 2.265 1236 L HA 0.557 4.897 4.340 -0.000 0.000 0.288 1236 L C -0.503 176.393 176.870 0.042 0.000 1.058 1236 L CA -0.566 54.297 54.840 0.038 0.000 0.809 1236 L CB 0.405 42.479 42.059 0.025 0.000 1.179 1236 L HN 0.536 nan 8.230 nan 0.000 0.429 1237 I N 3.177 123.785 120.570 0.064 0.000 2.913 1237 I HA 0.532 4.702 4.170 -0.000 0.000 0.302 1237 I C -0.910 175.268 176.117 0.102 0.000 1.246 1237 I CA -0.695 60.640 61.300 0.059 0.000 1.010 1237 I CB 2.410 40.427 38.000 0.028 0.000 1.259 1237 I HN 0.230 nan 8.210 nan 0.000 0.434 1238 I N 2.779 123.400 120.570 0.085 0.000 2.740 1238 I HA 0.625 4.795 4.170 -0.000 0.000 0.303 1238 I C -0.449 175.703 176.117 0.059 0.000 1.044 1238 I CA -0.798 60.575 61.300 0.120 0.000 1.064 1238 I CB 2.025 40.099 38.000 0.123 0.000 1.249 1238 I HN 0.648 nan 8.210 nan 0.000 0.433 1239 R N 3.253 123.786 120.500 0.055 0.000 2.533 1239 R HA 0.717 5.056 4.340 -0.000 0.000 0.288 1239 R C -1.634 174.685 176.300 0.032 0.000 1.039 1239 R CA -0.462 55.646 56.100 0.012 0.000 0.909 1239 R CB 2.027 32.311 30.300 -0.027 0.000 1.195 1239 R HN 0.686 nan 8.270 nan 0.000 0.438 1240 C N 1.249 120.565 119.300 0.027 0.000 3.090 1240 C HA 0.671 5.131 4.460 -0.000 0.000 0.305 1240 C C -0.613 174.388 174.990 0.019 0.000 1.292 1240 C CA -1.129 57.905 59.018 0.027 0.000 1.482 1240 C CB 2.225 29.957 27.740 -0.014 0.000 1.897 1240 C HN 0.818 nan 8.230 nan 0.000 0.469 1241 R N 0.663 121.175 120.500 0.020 0.000 2.515 1241 R HA 0.513 4.853 4.340 -0.000 0.000 0.278 1241 R C -1.094 175.200 176.300 -0.009 0.000 1.107 1241 R CA -0.478 55.626 56.100 0.006 0.000 0.945 1241 R CB 2.129 32.415 30.300 -0.023 0.000 1.219 1241 R HN 0.641 nan 8.270 nan 0.000 0.434 1242 V N 3.919 123.826 119.914 -0.011 0.000 2.788 1242 V HA 0.164 4.284 4.120 -0.000 0.000 0.307 1242 V C -0.394 175.695 176.094 -0.008 0.000 1.069 1242 V CA 0.659 62.946 62.300 -0.022 0.000 1.173 1242 V CB 1.132 32.958 31.823 0.004 0.000 0.925 1242 V HN 0.490 nan 8.190 nan 0.000 0.492 1243 V N 6.430 126.341 119.914 -0.005 0.000 2.932 1243 V HA 0.718 4.838 4.120 -0.000 0.000 0.307 1243 V C -0.516 175.589 176.094 0.018 0.000 1.147 1243 V CA -0.890 61.414 62.300 0.007 0.000 0.951 1243 V CB 2.325 34.163 31.823 0.025 0.000 1.031 1243 V HN 0.956 nan 8.190 nan 0.000 0.426 1244 R N 4.277 124.789 120.500 0.019 0.000 3.021 1244 R HA 0.422 4.762 4.340 -0.000 0.000 0.206 1244 R C -3.062 173.246 176.300 0.014 0.000 1.593 1244 R CA -0.675 55.431 56.100 0.010 0.000 1.243 1244 R CB 0.605 30.906 30.300 0.002 0.000 1.573 1244 R HN 0.520 nan 8.270 nan 0.000 0.640 1245 P HA 0.394 nan 4.420 nan 0.000 0.284 1245 P C -0.906 176.403 177.300 0.015 0.000 1.343 1245 P CA -0.285 62.827 63.100 0.020 0.000 0.826 1245 P CB 0.966 32.681 31.700 0.025 0.000 0.956 1246 K N 0.877 121.285 120.400 0.012 0.000 2.283 1246 K HA 0.658 4.978 4.320 -0.000 0.000 0.257 1246 K C 0.297 176.902 176.600 0.009 0.000 1.066 1246 K CA -0.783 55.510 56.287 0.009 0.000 0.891 1246 K CB 1.689 34.191 32.500 0.003 0.000 1.438 1246 K HN 0.237 nan 8.250 nan 0.000 0.464 1247 S N -0.693 115.011 115.700 0.007 0.000 4.158 1247 S HA -0.215 4.255 4.470 -0.000 0.000 0.621 1247 S C -0.319 174.285 174.600 0.008 0.000 1.867 1247 S CA 1.206 59.410 58.200 0.007 0.000 4.249 1247 S CB -1.380 61.824 63.200 0.007 0.000 0.202 1247 S HN 0.636 nan 8.310 nan 0.000 0.457 1248 L N 2.165 123.393 121.223 0.009 0.000 2.363 1248 L HA 0.654 4.994 4.340 -0.000 0.000 0.286 1248 L C -0.202 176.674 176.870 0.011 0.000 1.106 1248 L CA -0.357 54.489 54.840 0.009 0.000 0.859 1248 L CB 0.091 42.155 42.059 0.009 0.000 1.223 1248 L HN 0.263 nan 8.230 nan 0.000 0.446 1249 D N 1.750 122.156 120.400 0.010 0.000 2.627 1249 D HA 0.765 5.405 4.640 -0.000 0.000 0.259 1249 D C 0.367 176.673 176.300 0.011 0.000 1.164 1249 D CA 0.149 54.156 54.000 0.012 0.000 1.087 1249 D CB 2.134 42.942 40.800 0.012 0.000 1.217 1249 D HN 0.547 nan 8.370 nan 0.000 0.630 1250 A N -0.792 122.035 122.820 0.012 0.000 1.791 1250 A HA 0.337 4.657 4.320 -0.000 0.000 0.177 1250 A C 0.258 177.848 177.584 0.011 0.000 1.851 1250 A CA 0.266 52.309 52.037 0.011 0.000 1.130 1250 A CB 1.019 20.025 19.000 0.011 0.000 0.958 1250 A HN 0.435 nan 8.150 nan 0.000 0.637 1251 E N -1.332 118.875 120.200 0.012 0.000 2.421 1251 E HA 0.388 4.738 4.350 -0.000 0.000 0.278 1251 E C -1.672 174.937 176.600 0.015 0.000 1.141 1251 E CA 0.352 56.760 56.400 0.012 0.000 0.880 1251 E CB 1.319 31.025 29.700 0.010 0.000 1.381 1251 E HN 1.044 nan 8.360 nan 0.000 0.436 1252 T N 0.852 115.416 114.554 0.016 0.000 2.481 1252 T HA -0.156 4.194 4.350 -0.000 0.000 0.509 1252 T C -0.667 174.049 174.700 0.025 0.000 0.816 1252 T CA 0.762 62.874 62.100 0.019 0.000 2.695 1252 T CB -1.064 67.814 68.868 0.016 0.000 1.693 1252 T HN 0.391 nan 8.240 nan 0.000 0.491 1253 E N 1.622 121.839 120.200 0.028 0.000 2.173 1253 E HA 0.652 5.002 4.350 -0.000 0.000 0.249 1253 E C 0.352 176.979 176.600 0.045 0.000 0.923 1253 E CA -0.178 56.243 56.400 0.035 0.000 0.754 1253 E CB 1.342 31.060 29.700 0.030 0.000 1.177 1253 E HN 0.981 nan 8.360 nan 0.000 0.430 1254 A N 2.360 125.214 122.820 0.056 0.000 2.593 1254 A HA 0.557 4.877 4.320 -0.000 0.000 0.304 1254 A C 0.375 178.016 177.584 0.095 0.000 1.233 1254 A CA 0.024 52.104 52.037 0.071 0.000 0.661 1254 A CB 0.757 19.794 19.000 0.062 0.000 1.338 1254 A HN 0.489 nan 8.150 nan 0.000 0.495 1255 E N -1.283 118.987 120.200 0.117 0.000 3.466 1255 E HA -0.502 3.848 4.350 -0.000 0.000 0.425 1255 E C 0.784 177.455 176.600 0.119 0.000 1.529 1255 E CA 2.126 58.619 56.400 0.155 0.000 1.326 1255 E CB -1.263 28.596 29.700 0.264 0.000 1.408 1255 E HN 1.456 nan 8.360 nan 0.000 0.411 1256 E N -0.570 119.704 120.200 0.123 0.000 4.924 1256 E HA -0.368 3.982 4.350 -0.000 0.000 0.229 1256 E C 1.086 177.663 176.600 -0.038 0.000 0.912 1256 E CA 1.590 58.036 56.400 0.076 0.000 1.857 1256 E CB -1.403 28.368 29.700 0.117 0.000 1.787 1256 E HN 0.544 nan 8.360 nan 0.000 0.427 1257 D N -1.139 119.144 120.400 -0.196 0.000 2.219 1257 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 1257 D C 1.388 177.465 176.300 -0.373 0.000 0.970 1257 D CA 1.557 55.290 54.000 -0.445 0.000 0.851 1257 D CB -0.134 40.290 40.800 -0.626 0.000 0.943 1257 D HN 0.540 nan 8.370 nan 0.000 0.488 1258 H N -0.507 118.505 119.070 -0.098 0.000 2.363 1258 H HA 0.040 4.595 4.556 -0.000 0.000 0.301 1258 H C 1.887 177.188 175.328 -0.044 0.000 1.074 1258 H CA 0.776 56.786 56.048 -0.064 0.000 1.354 1258 H CB -0.078 29.661 29.762 -0.038 0.000 1.397 1258 H HN 0.014 nan 8.280 nan 0.000 0.516 1259 M N 0.122 119.777 119.600 0.091 0.000 2.460 1259 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 1259 M C 1.865 178.176 176.300 0.019 0.000 1.071 1259 M CA 0.530 55.863 55.300 0.055 0.000 1.096 1259 M CB 0.150 32.786 32.600 0.059 0.000 1.408 1259 M HN 0.275 nan 8.290 nan 0.000 0.463 1260 L N 0.038 121.242 121.223 -0.031 0.000 2.027 1260 L HA -0.208 4.131 4.340 -0.000 0.000 0.206 1260 L C 2.148 178.997 176.870 -0.036 0.000 1.074 1260 L CA 1.913 56.721 54.840 -0.054 0.000 0.745 1260 L CB -0.741 41.238 42.059 -0.134 0.000 0.898 1260 L HN 0.301 nan 8.230 nan 0.000 0.433 1261 K N 0.095 120.466 120.400 -0.049 0.000 2.057 1261 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 1261 K C 1.972 178.582 176.600 0.016 0.000 1.050 1261 K CA 1.292 57.564 56.287 -0.024 0.000 0.935 1261 K CB 0.062 32.539 32.500 -0.038 0.000 0.715 1261 K HN 0.196 nan 8.250 nan 0.000 0.439 1262 K N 0.324 120.743 120.400 0.031 0.000 2.442 1262 K HA -0.088 4.232 4.320 -0.000 0.000 0.199 1262 K C 1.729 178.375 176.600 0.077 0.000 1.044 1262 K CA 0.828 57.145 56.287 0.050 0.000 0.941 1262 K CB 0.047 32.576 32.500 0.049 0.000 0.759 1262 K HN 0.208 nan 8.250 nan 0.000 0.472 1263 I N 0.143 120.763 120.570 0.084 0.000 2.731 1263 I HA -0.162 4.008 4.170 -0.000 0.000 0.260 1263 I C 2.155 178.357 176.117 0.142 0.000 1.138 1263 I CA 0.609 61.995 61.300 0.144 0.000 1.461 1263 I CB 0.073 38.135 38.000 0.104 0.000 1.128 1263 I HN 0.129 nan 8.210 nan 0.000 0.438 1264 E N 0.889 121.137 120.200 0.079 0.000 2.268 1264 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 1264 E C 1.624 178.264 176.600 0.067 0.000 0.995 1264 E CA 1.514 57.957 56.400 0.072 0.000 0.836 1264 E CB -0.331 29.395 29.700 0.043 0.000 0.763 1264 E HN 0.405 nan 8.360 nan 0.000 0.491 1265 N N -0.751 117.985 118.700 0.061 0.000 2.305 1265 N HA -0.033 4.707 4.740 -0.000 0.000 0.179 1265 N C 1.303 176.845 175.510 0.053 0.000 1.019 1265 N CA 1.619 54.697 53.050 0.048 0.000 0.869 1265 N CB 0.003 38.512 38.487 0.038 0.000 1.000 1265 N HN 0.166 nan 8.380 nan 0.000 0.431 1266 T N 0.569 115.166 114.554 0.072 0.000 2.777 1266 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 1266 T C 1.884 176.619 174.700 0.059 0.000 1.040 1266 T CA 0.816 62.953 62.100 0.062 0.000 1.141 1266 T CB -0.166 68.750 68.868 0.079 0.000 0.868 1266 T HN 0.219 nan 8.240 nan 0.000 0.444 1267 M N 0.497 120.165 119.600 0.114 0.000 2.082 1267 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 1267 M C 2.155 178.489 176.300 0.056 0.000 1.069 1267 M CA 1.757 57.126 55.300 0.116 0.000 1.102 1267 M CB -0.499 32.204 32.600 0.172 0.000 1.336 1267 M HN 0.268 nan 8.290 nan 0.000 0.404 1268 L N -1.108 120.144 121.223 0.048 0.000 2.072 1268 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 1268 L C 1.569 178.450 176.870 0.020 0.000 1.079 1268 L CA 1.127 55.985 54.840 0.029 0.000 0.752 1268 L CB -0.348 41.729 42.059 0.029 0.000 0.906 1268 L HN 0.283 nan 8.230 nan 0.000 0.436 1269 E N -0.682 119.532 120.200 0.024 0.000 2.499 1269 E HA 0.073 4.423 4.350 -0.000 0.000 0.199 1269 E C 0.204 176.817 176.600 0.021 0.000 1.016 1269 E CA -0.079 56.335 56.400 0.024 0.000 0.933 1269 E CB 0.408 30.122 29.700 0.023 0.000 1.050 1269 E HN 0.304 nan 8.360 nan 0.000 0.462 1270 N N 0.287 118.992 118.700 0.008 0.000 2.036 1270 N HA 0.099 4.839 4.740 -0.000 0.000 0.228 1270 N C -0.538 174.955 175.510 -0.028 0.000 1.368 1270 N CA -0.025 53.021 53.050 -0.007 0.000 0.846 1270 N CB 1.188 39.660 38.487 -0.025 0.000 1.145 1270 N HN 0.025 nan 8.380 nan 0.000 0.502 1271 I N 1.878 122.430 120.570 -0.030 0.000 2.342 1271 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 1271 I C 0.542 176.624 176.117 -0.058 0.000 1.010 1271 I CA 0.134 61.402 61.300 -0.054 0.000 1.308 1271 I CB 0.947 38.918 38.000 -0.048 0.000 1.400 1271 I HN -0.203 nan 8.210 nan 0.000 0.488 1272 T N 7.054 121.571 114.554 -0.061 0.000 2.934 1272 T HA 0.527 4.877 4.350 -0.000 0.000 0.283 1272 T C 0.946 175.579 174.700 -0.112 0.000 1.005 1272 T CA -0.269 61.773 62.100 -0.096 0.000 1.041 1272 T CB 2.326 71.189 68.868 -0.007 0.000 1.042 1272 T HN 0.327 nan 8.240 nan 0.000 0.505 1273 L N 0.315 121.449 121.223 -0.148 0.000 2.641 1273 L HA 0.403 4.743 4.340 -0.000 0.000 0.207 1273 L C 0.701 177.515 176.870 -0.094 0.000 1.049 1273 L CA 0.336 55.107 54.840 -0.115 0.000 0.866 1273 L CB 0.375 42.361 42.059 -0.121 0.000 1.264 1273 L HN 0.611 nan 8.230 nan 0.000 0.483 1274 R N -0.811 119.629 120.500 -0.100 0.000 2.535 1274 R HA 0.620 4.959 4.340 -0.000 0.000 0.274 1274 R C -0.515 175.764 176.300 -0.034 0.000 1.090 1274 R CA -0.165 55.899 56.100 -0.061 0.000 0.930 1274 R CB 1.282 31.546 30.300 -0.059 0.000 1.223 1274 R HN 0.104 nan 8.270 nan 0.000 0.441 1275 G N 0.869 109.669 108.800 0.001 0.000 2.655 1275 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.680 1275 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.680 1275 G C -1.092 173.865 174.900 0.096 0.000 1.302 1275 G CA -0.474 44.650 45.100 0.040 0.000 0.872 1275 G HN 0.571 nan 8.290 nan 0.000 0.540 1276 V N 1.342 121.309 119.914 0.088 0.000 2.644 1276 V HA 0.538 4.658 4.120 -0.000 0.000 0.295 1276 V C 1.145 177.273 176.094 0.057 0.000 1.053 1276 V CA 0.066 62.403 62.300 0.062 0.000 0.987 1276 V CB 1.480 33.307 31.823 0.007 0.000 1.006 1276 V HN 1.078 nan 8.190 nan 0.000 0.472 1277 E N 3.251 123.391 120.200 -0.100 0.000 2.416 1277 E HA 0.052 4.402 4.350 -0.000 0.000 0.254 1277 E C -0.073 176.351 176.600 -0.294 0.000 1.241 1277 E CA -0.205 55.900 56.400 -0.492 0.000 0.969 1277 E CB 0.080 29.550 29.700 -0.383 0.000 0.999 1277 E HN 0.675 nan 8.360 nan 0.000 0.481 1278 N N -1.223 117.281 118.700 -0.326 0.000 2.800 1278 N HA -0.188 4.552 4.740 -0.000 0.000 0.250 1278 N C -1.021 174.426 175.510 -0.104 0.000 1.078 1278 N CA 1.066 54.015 53.050 -0.168 0.000 0.804 1278 N CB -1.233 37.183 38.487 -0.118 0.000 1.135 1278 N HN 0.451 nan 8.380 nan 0.000 0.565 1279 I N 0.867 121.384 120.570 -0.089 0.000 2.448 1279 I HA 0.230 4.400 4.170 -0.000 0.000 0.281 1279 I C 0.466 176.606 176.117 0.038 0.000 1.027 1279 I CA -0.285 61.008 61.300 -0.013 0.000 1.111 1279 I CB 1.781 39.784 38.000 0.005 0.000 1.236 1279 I HN -0.117 nan 8.210 nan 0.000 0.452 1280 E N 4.109 124.324 120.200 0.025 0.000 3.552 1280 E HA 0.464 4.814 4.350 -0.000 0.000 0.264 1280 E C -0.211 176.413 176.600 0.039 0.000 1.170 1280 E CA -0.738 55.684 56.400 0.037 0.000 1.313 1280 E CB 0.296 30.006 29.700 0.017 0.000 1.522 1280 E HN 0.432 nan 8.360 nan 0.000 0.653 1281 R N -0.392 120.122 120.500 0.024 0.000 2.466 1281 R HA 0.045 4.385 4.340 -0.000 0.000 0.280 1281 R C -0.811 175.531 176.300 0.070 0.000 0.926 1281 R CA 0.116 56.236 56.100 0.034 0.000 1.127 1281 R CB -0.595 29.703 30.300 -0.004 0.000 0.871 1281 R HN 0.031 nan 8.270 nan 0.000 0.421 1282 V N 4.724 124.716 119.914 0.131 0.000 2.487 1282 V HA 0.337 4.457 4.120 -0.000 0.000 0.298 1282 V C -0.112 176.032 176.094 0.083 0.000 1.028 1282 V CA -0.927 61.422 62.300 0.080 0.000 0.860 1282 V CB 1.846 33.695 31.823 0.043 0.000 0.991 1282 V HN 0.655 nan 8.190 nan 0.000 0.427 1283 V N 4.996 124.935 119.914 0.041 0.000 2.547 1283 V HA 0.417 4.537 4.120 -0.000 0.000 0.299 1283 V C 0.535 176.635 176.094 0.009 0.000 1.040 1283 V CA -0.660 61.663 62.300 0.037 0.000 0.913 1283 V CB 1.927 33.771 31.823 0.036 0.000 0.992 1283 V HN 0.787 nan 8.190 nan 0.000 0.449 1284 M N 3.573 123.194 119.600 0.036 0.000 3.310 1284 M HA 0.284 4.764 4.480 -0.000 0.000 0.233 1284 M C -0.119 176.317 176.300 0.225 0.000 1.267 1284 M CA -0.069 55.298 55.300 0.111 0.000 1.301 1284 M CB -0.273 32.380 32.600 0.088 0.000 1.186 1284 M HN 0.689 nan 8.290 nan 0.000 0.515 1285 M N 1.245 120.879 119.600 0.056 0.000 2.228 1285 M HA 0.056 4.535 4.480 -0.000 0.000 0.351 1285 M C 0.389 176.623 176.300 -0.110 0.000 1.233 1285 M CA 0.720 56.001 55.300 -0.032 0.000 1.129 1285 M CB 0.426 32.962 32.600 -0.107 0.000 1.604 1285 M HN 0.070 nan 8.290 nan 0.000 0.457 1286 K N 4.195 124.495 120.400 -0.166 0.000 2.296 1286 K HA 0.171 4.491 4.320 -0.000 0.000 0.257 1286 K C -1.359 175.204 176.600 -0.061 0.000 1.088 1286 K CA -0.459 55.616 56.287 -0.353 0.000 0.980 1286 K CB 0.272 32.373 32.500 -0.666 0.000 1.430 1286 K HN 0.505 nan 8.250 nan 0.000 0.441 1287 Y N 0.973 121.215 120.300 -0.096 0.000 2.258 1287 Y HA 0.105 4.655 4.550 -0.000 0.000 0.345 1287 Y C 1.030 176.895 175.900 -0.058 0.000 1.303 1287 Y CA -0.556 57.527 58.100 -0.028 0.000 1.537 1287 Y CB 0.538 39.045 38.460 0.078 0.000 1.383 1287 Y HN 0.542 nan 8.280 nan 0.000 0.606 1288 D N 0.114 120.579 120.400 0.108 0.000 2.392 1288 D HA 0.528 5.168 4.640 -0.000 0.000 0.246 1288 D C -0.652 175.663 176.300 0.025 0.000 1.013 1288 D CA -0.579 53.439 54.000 0.029 0.000 0.993 1288 D CB 2.205 42.998 40.800 -0.011 0.000 1.219 1288 D HN 0.340 nan 8.370 nan 0.000 0.538 1289 R N 0.256 120.764 120.500 0.013 0.000 2.634 1289 R HA 0.248 4.588 4.340 -0.000 0.000 0.263 1289 R C -1.404 174.913 176.300 0.029 0.000 1.060 1289 R CA -0.640 55.466 56.100 0.010 0.000 0.898 1289 R CB 1.635 31.935 30.300 -0.000 0.000 1.253 1289 R HN 0.237 nan 8.270 nan 0.000 0.461 1290 K N 2.133 122.570 120.400 0.061 0.000 2.206 1290 K HA 0.617 4.937 4.320 -0.000 0.000 0.264 1290 K C -1.216 175.484 176.600 0.165 0.000 0.967 1290 K CA -0.788 55.587 56.287 0.146 0.000 0.844 1290 K CB 2.263 34.885 32.500 0.204 0.000 1.099 1290 K HN 0.209 nan 8.250 nan 0.000 0.441 1291 V N 3.786 123.733 119.914 0.055 0.000 3.077 1291 V HA 0.219 4.339 4.120 -0.000 0.000 0.299 1291 V C -2.550 173.316 176.094 -0.380 0.000 1.276 1291 V CA -2.095 60.117 62.300 -0.147 0.000 0.993 1291 V CB 2.443 34.214 31.823 -0.085 0.000 1.076 1291 V HN 0.636 nan 8.190 nan 0.000 0.434 1292 P HA 0.029 nan 4.420 nan 0.000 0.258 1292 P C -0.455 176.699 177.300 -0.243 0.000 1.172 1292 P CA 0.746 63.559 63.100 -0.478 0.000 0.762 1292 P CB 0.344 31.825 31.700 -0.365 0.000 0.764 1293 S N 4.955 120.544 115.700 -0.185 0.000 2.562 1293 S HA 0.323 4.793 4.470 -0.000 0.000 0.275 1293 S C -1.274 173.271 174.600 -0.092 0.000 1.281 1293 S CA -1.693 56.445 58.200 -0.104 0.000 1.045 1293 S CB 0.193 63.354 63.200 -0.065 0.000 0.962 1293 S HN 0.195 nan 8.310 nan 0.000 0.503 1294 P HA -0.190 nan 4.420 nan 0.000 0.219 1294 P C 1.561 178.836 177.300 -0.042 0.000 1.158 1294 P CA 2.288 65.356 63.100 -0.054 0.000 0.895 1294 P CB -0.432 31.245 31.700 -0.039 0.000 0.792 1295 T N -5.480 109.055 114.554 -0.030 0.000 2.977 1295 T HA 0.098 4.448 4.350 -0.000 0.000 0.271 1295 T C 1.583 176.278 174.700 -0.010 0.000 1.105 1295 T CA 1.430 63.521 62.100 -0.014 0.000 1.116 1295 T CB -0.648 68.218 68.868 -0.004 0.000 0.878 1295 T HN 0.334 nan 8.240 nan 0.000 0.509 1296 G N 0.528 109.310 108.800 -0.030 0.000 2.796 1296 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.198 1296 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.198 1296 G C -0.115 174.772 174.900 -0.022 0.000 1.062 1296 G CA -0.222 44.862 45.100 -0.028 0.000 0.752 1296 G HN 0.596 nan 8.290 nan 0.000 0.487 1297 E N -0.348 119.856 120.200 0.005 0.000 2.442 1297 E HA 0.389 4.739 4.350 -0.000 0.000 0.260 1297 E C -0.592 176.021 176.600 0.022 0.000 1.148 1297 E CA -0.066 56.365 56.400 0.052 0.000 0.976 1297 E CB 0.382 30.111 29.700 0.049 0.000 0.967 1297 E HN 0.318 nan 8.360 nan 0.000 0.454 1298 Y N 0.963 121.264 120.300 0.001 0.000 2.821 1298 Y HA 0.176 4.726 4.550 -0.000 0.000 0.331 1298 Y C -0.549 175.347 175.900 -0.006 0.000 1.251 1298 Y CA -0.512 57.586 58.100 -0.003 0.000 1.494 1298 Y CB 0.082 38.543 38.460 0.002 0.000 1.493 1298 Y HN 0.161 nan 8.280 nan 0.000 0.496 1299 V N 2.519 122.461 119.914 0.047 0.000 2.881 1299 V HA 0.061 4.181 4.120 -0.000 0.000 0.303 1299 V C 0.240 176.357 176.094 0.039 0.000 1.070 1299 V CA -1.051 61.271 62.300 0.037 0.000 1.074 1299 V CB 0.891 32.717 31.823 0.005 0.000 1.012 1299 V HN 0.435 nan 8.190 nan 0.000 0.482 1300 K N 2.773 123.192 120.400 0.032 0.000 2.349 1300 K HA 0.255 4.575 4.320 -0.000 0.000 0.289 1300 K C -0.078 176.527 176.600 0.008 0.000 1.064 1300 K CA 0.070 56.370 56.287 0.022 0.000 0.947 1300 K CB 0.537 33.045 32.500 0.013 0.000 1.007 1300 K HN 0.699 nan 8.250 nan 0.000 0.478 1301 E N 4.843 125.047 120.200 0.007 0.000 2.151 1301 E HA 0.239 4.589 4.350 -0.000 0.000 0.275 1301 E C -2.416 174.183 176.600 -0.002 0.000 0.936 1301 E CA -2.444 53.957 56.400 0.001 0.000 0.777 1301 E CB 1.123 30.823 29.700 0.001 0.000 1.108 1301 E HN 0.225 nan 8.360 nan 0.000 0.401 1302 P HA 0.161 nan 4.420 nan 0.000 0.297 1302 P C -1.566 175.694 177.300 -0.066 0.000 1.342 1302 P CA -0.333 62.734 63.100 -0.055 0.000 0.801 1302 P CB 0.697 32.346 31.700 -0.084 0.000 0.920 1303 E N 2.247 122.419 120.200 -0.047 0.000 2.263 1303 E HA 0.520 4.869 4.350 -0.000 0.000 0.264 1303 E C -1.222 175.336 176.600 -0.069 0.000 0.923 1303 E CA -0.998 55.409 56.400 0.012 0.000 0.802 1303 E CB 1.117 30.882 29.700 0.109 0.000 1.228 1303 E HN 0.216 nan 8.360 nan 0.000 0.417 1304 W N 1.272 122.607 121.300 0.058 0.000 2.365 1304 W HA 0.502 5.161 4.660 -0.000 0.000 0.316 1304 W C -0.773 175.742 176.519 -0.007 0.000 1.164 1304 W CA -0.342 57.008 57.345 0.008 0.000 1.204 1304 W CB 1.579 31.034 29.460 -0.008 0.000 1.213 1304 W HN 0.245 nan 8.180 nan 0.000 0.539 1305 V N 4.111 124.088 119.914 0.104 0.000 3.040 1305 V HA 0.512 4.631 4.120 -0.000 0.000 0.312 1305 V C -0.483 175.533 176.094 -0.130 0.000 1.115 1305 V CA -1.337 60.910 62.300 -0.088 0.000 0.998 1305 V CB 2.062 33.615 31.823 -0.450 0.000 1.042 1305 V HN 0.285 nan 8.190 nan 0.000 0.433 1306 L N 2.254 123.388 121.223 -0.148 0.000 2.362 1306 L HA 0.666 5.006 4.340 -0.000 0.000 0.275 1306 L C -0.436 176.356 176.870 -0.131 0.000 0.998 1306 L CA -0.412 54.363 54.840 -0.108 0.000 0.820 1306 L CB 2.024 44.046 42.059 -0.062 0.000 1.270 1306 L HN 0.648 nan 8.230 nan 0.000 0.415 1307 E N 1.333 121.479 120.200 -0.089 0.000 2.244 1307 E HA 0.718 5.068 4.350 -0.000 0.000 0.266 1307 E C -1.110 175.481 176.600 -0.016 0.000 0.914 1307 E CA -0.638 55.731 56.400 -0.051 0.000 0.794 1307 E CB 2.754 32.435 29.700 -0.031 0.000 1.210 1307 E HN 0.468 nan 8.360 nan 0.000 0.414 1308 T N 0.832 115.383 114.554 -0.005 0.000 2.864 1308 T HA 0.321 4.671 4.350 -0.000 0.000 0.299 1308 T C -1.553 173.150 174.700 0.005 0.000 1.166 1308 T CA -0.886 61.215 62.100 0.002 0.000 1.007 1308 T CB 1.370 70.234 68.868 -0.008 0.000 1.219 1308 T HN 0.259 nan 8.240 nan 0.000 0.506 1309 D N 0.878 121.281 120.400 0.006 0.000 2.392 1309 D HA 0.626 5.266 4.640 -0.000 0.000 0.228 1309 D C 0.353 176.647 176.300 -0.010 0.000 1.074 1309 D CA 0.560 54.561 54.000 0.002 0.000 0.838 1309 D CB 1.015 41.819 40.800 0.005 0.000 1.067 1309 D HN 1.023 nan 8.370 nan 0.000 0.511 1310 G N 0.219 109.008 108.800 -0.018 0.000 2.539 1310 G HA2 0.129 4.089 3.960 -0.000 0.000 0.686 1310 G HA3 0.129 4.089 3.960 -0.000 0.000 0.686 1310 G C -1.456 173.418 174.900 -0.042 0.000 1.258 1310 G CA -0.983 44.097 45.100 -0.034 0.000 0.846 1310 G HN 0.444 nan 8.290 nan 0.000 0.647 1311 V N 1.903 121.784 119.914 -0.055 0.000 2.488 1311 V HA 0.621 4.740 4.120 -0.000 0.000 0.293 1311 V C 0.059 176.115 176.094 -0.064 0.000 1.027 1311 V CA -0.626 61.638 62.300 -0.061 0.000 0.862 1311 V CB 1.807 33.586 31.823 -0.073 0.000 1.008 1311 V HN 0.892 nan 8.190 nan 0.000 0.428 1312 N N 4.159 122.824 118.700 -0.058 0.000 2.733 1312 N HA 0.113 4.853 4.740 -0.000 0.000 0.271 1312 N C 0.863 176.347 175.510 -0.043 0.000 1.720 1312 N CA -0.370 52.648 53.050 -0.054 0.000 0.803 1312 N CB 1.208 39.660 38.487 -0.058 0.000 1.208 1312 N HN 0.639 nan 8.380 nan 0.000 0.498 1313 L N 1.747 122.943 121.223 -0.045 0.000 2.187 1313 L HA -0.101 4.239 4.340 -0.000 0.000 0.213 1313 L C 1.763 178.619 176.870 -0.023 0.000 1.100 1313 L CA 1.840 56.659 54.840 -0.034 0.000 0.765 1313 L CB -0.503 41.530 42.059 -0.042 0.000 0.904 1313 L HN 0.295 nan 8.230 nan 0.000 0.437 1314 S N -0.062 115.623 115.700 -0.026 0.000 2.400 1314 S HA -0.227 4.243 4.470 -0.000 0.000 0.234 1314 S C 1.464 176.056 174.600 -0.013 0.000 1.049 1314 S CA 1.987 60.176 58.200 -0.019 0.000 1.039 1314 S CB -0.374 62.812 63.200 -0.023 0.000 0.856 1314 S HN 0.690 nan 8.310 nan 0.000 0.465 1315 E N -0.627 119.564 120.200 -0.015 0.000 2.676 1315 E HA 0.216 4.566 4.350 -0.000 0.000 0.225 1315 E C 1.200 177.795 176.600 -0.008 0.000 0.944 1315 E CA 0.104 56.497 56.400 -0.011 0.000 1.156 1315 E CB 0.573 30.264 29.700 -0.014 0.000 1.117 1315 E HN 0.357 nan 8.360 nan 0.000 0.523 1316 V N 1.615 121.523 119.914 -0.009 0.000 2.599 1316 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 1316 V C 2.510 178.605 176.094 0.003 0.000 1.046 1316 V CA 1.620 63.916 62.300 -0.006 0.000 1.065 1316 V CB -0.516 31.299 31.823 -0.013 0.000 0.703 1316 V HN 0.303 nan 8.190 nan 0.000 0.464 1317 M N 1.134 120.738 119.600 0.007 0.000 2.319 1317 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 1317 M C 2.102 178.413 176.300 0.019 0.000 1.068 1317 M CA 2.056 57.367 55.300 0.019 0.000 1.118 1317 M CB -1.355 31.259 32.600 0.024 0.000 1.395 1317 M HN 0.352 nan 8.290 nan 0.000 0.435 1318 T N -0.809 113.752 114.554 0.011 0.000 2.881 1318 T HA 0.055 4.405 4.350 -0.000 0.000 0.270 1318 T C 0.855 175.561 174.700 0.011 0.000 1.068 1318 T CA 0.326 62.433 62.100 0.010 0.000 1.131 1318 T CB -1.196 67.675 68.868 0.005 0.000 0.871 1318 T HN 0.280 nan 8.240 nan 0.000 0.479 1319 V N 4.018 123.937 119.914 0.009 0.000 2.872 1319 V HA 0.091 4.210 4.120 -0.000 0.000 0.302 1319 V C -1.876 174.226 176.094 0.013 0.000 1.166 1319 V CA -0.955 61.349 62.300 0.008 0.000 1.298 1319 V CB -0.167 31.659 31.823 0.005 0.000 0.894 1319 V HN 0.443 nan 8.190 nan 0.000 0.509 1320 P HA 0.393 nan 4.420 nan 0.000 0.279 1320 P C 0.620 177.932 177.300 0.020 0.000 1.239 1320 P CA 0.760 63.870 63.100 0.016 0.000 0.789 1320 P CB 0.946 32.652 31.700 0.009 0.000 0.933 1321 G N 1.836 110.658 108.800 0.038 0.000 2.137 1321 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.237 1321 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.237 1321 G C -0.059 174.875 174.900 0.057 0.000 1.002 1321 G CA 0.145 45.277 45.100 0.054 0.000 0.702 1321 G HN 0.706 nan 8.290 nan 0.000 0.515 1322 I N -2.543 118.062 120.570 0.059 0.000 2.892 1322 I HA 0.774 4.944 4.170 -0.000 0.000 0.306 1322 I C -1.370 174.803 176.117 0.092 0.000 1.078 1322 I CA -1.538 59.809 61.300 0.078 0.000 1.032 1322 I CB 2.078 40.114 38.000 0.060 0.000 1.229 1322 I HN -0.097 nan 8.210 nan 0.000 0.435 1323 D N 6.677 127.153 120.400 0.127 0.000 2.352 1323 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 1323 D C -2.009 174.365 176.300 0.123 0.000 1.224 1323 D CA -1.685 52.388 54.000 0.122 0.000 0.879 1323 D CB 1.130 42.014 40.800 0.140 0.000 1.057 1323 D HN 0.360 nan 8.370 nan 0.000 0.491 1324 P HA 0.138 nan 4.420 nan 0.000 0.248 1324 P C 0.439 177.783 177.300 0.074 0.000 1.708 1324 P CA -0.058 63.089 63.100 0.078 0.000 1.062 1324 P CB 0.570 32.302 31.700 0.053 0.000 1.562 1325 T N -1.777 112.828 114.554 0.085 0.000 3.003 1325 T HA 0.276 4.626 4.350 -0.000 0.000 0.261 1325 T C 1.354 176.120 174.700 0.111 0.000 1.003 1325 T CA 0.372 62.516 62.100 0.075 0.000 0.917 1325 T CB 0.125 69.018 68.868 0.041 0.000 1.084 1325 T HN -0.036 nan 8.240 nan 0.000 0.522 1326 R N 0.160 120.765 120.500 0.175 0.000 2.302 1326 R HA 0.443 4.783 4.340 -0.000 0.000 0.187 1326 R C 0.897 177.473 176.300 0.460 0.000 0.904 1326 R CA -0.242 56.041 56.100 0.304 0.000 1.105 1326 R CB 0.055 30.517 30.300 0.269 0.000 1.239 1326 R HN 0.365 nan 8.270 nan 0.000 0.620 1327 I N 2.403 123.177 120.570 0.340 0.000 3.214 1327 I HA -0.252 3.918 4.170 -0.000 0.000 0.332 1327 I C -1.169 175.073 176.117 0.210 0.000 1.225 1327 I CA 0.964 62.369 61.300 0.174 0.000 1.453 1327 I CB 0.095 38.151 38.000 0.093 0.000 1.321 1327 I HN 0.129 nan 8.210 nan 0.000 0.518 1328 Y N 6.651 126.962 120.300 0.019 0.000 2.406 1328 Y HA 0.464 5.014 4.550 -0.000 0.000 0.340 1328 Y C -0.631 175.284 175.900 0.024 0.000 0.975 1328 Y CA -0.541 57.593 58.100 0.056 0.000 1.056 1328 Y CB 1.821 40.347 38.460 0.111 0.000 1.210 1328 Y HN 0.598 nan 8.280 nan 0.000 0.448 1329 T N 4.783 119.043 114.554 -0.490 0.000 2.861 1329 T HA 0.178 4.528 4.350 -0.000 0.000 0.287 1329 T C 0.345 174.753 174.700 -0.486 0.000 1.003 1329 T CA -0.765 61.130 62.100 -0.342 0.000 0.977 1329 T CB 0.475 69.242 68.868 -0.169 0.000 0.996 1329 T HN 0.813 nan 8.240 nan 0.000 0.448 1330 N N 2.371 120.941 118.700 -0.217 0.000 2.571 1330 N HA -0.030 4.710 4.740 -0.000 0.000 0.189 1330 N C 0.597 176.095 175.510 -0.020 0.000 1.154 1330 N CA 0.106 53.110 53.050 -0.077 0.000 0.907 1330 N CB 0.029 38.567 38.487 0.084 0.000 0.977 1330 N HN 0.294 nan 8.380 nan 0.000 0.449 1331 S N 0.716 116.351 115.700 -0.109 0.000 3.036 1331 S HA 0.131 4.601 4.470 -0.000 0.000 0.301 1331 S C 0.712 175.210 174.600 -0.170 0.000 1.205 1331 S CA -1.007 57.101 58.200 -0.154 0.000 0.999 1331 S CB -1.200 61.898 63.200 -0.170 0.000 1.337 1331 S HN 0.331 nan 8.310 nan 0.000 0.515 1332 F N 4.249 124.171 119.950 -0.047 0.000 2.373 1332 F HA 0.006 4.533 4.527 -0.000 0.000 0.300 1332 F C 1.493 177.290 175.800 -0.005 0.000 1.080 1332 F CA 0.530 58.520 58.000 -0.017 0.000 1.417 1332 F CB -0.406 38.615 39.000 0.035 0.000 1.070 1332 F HN 0.548 nan 8.300 nan 0.000 0.546 1333 I N 1.150 121.274 120.570 -0.743 0.000 2.286 1333 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 1333 I C 1.395 177.392 176.117 -0.199 0.000 1.104 1333 I CA 1.801 62.811 61.300 -0.483 0.000 1.397 1333 I CB -0.685 36.962 38.000 -0.589 0.000 1.072 1333 I HN 0.078 nan 8.210 nan 0.000 0.417 1334 D N 1.532 121.823 120.400 -0.182 0.000 2.084 1334 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 1334 D C 2.280 178.544 176.300 -0.059 0.000 0.990 1334 D CA 1.457 55.393 54.000 -0.105 0.000 0.826 1334 D CB -0.132 40.605 40.800 -0.106 0.000 0.971 1334 D HN 0.305 nan 8.370 nan 0.000 0.453 1335 I N 0.768 121.307 120.570 -0.051 0.000 2.623 1335 I HA -0.228 3.942 4.170 -0.000 0.000 0.261 1335 I C 2.054 178.192 176.117 0.036 0.000 1.204 1335 I CA 0.884 62.182 61.300 -0.002 0.000 1.444 1335 I CB -0.538 37.469 38.000 0.012 0.000 1.094 1335 I HN 0.255 nan 8.210 nan 0.000 0.451 1336 M N 0.511 120.131 119.600 0.032 0.000 2.334 1336 M HA -0.096 4.384 4.480 -0.000 0.000 0.266 1336 M C 1.844 178.159 176.300 0.025 0.000 1.082 1336 M CA 1.470 56.800 55.300 0.050 0.000 1.141 1336 M CB -0.044 32.599 32.600 0.072 0.000 1.380 1336 M HN 0.218 nan 8.290 nan 0.000 0.440 1337 E N -0.734 119.467 120.200 0.001 0.000 2.230 1337 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 1337 E C 1.901 178.501 176.600 0.001 0.000 0.987 1337 E CA 0.847 57.245 56.400 -0.003 0.000 0.841 1337 E CB 0.322 30.010 29.700 -0.019 0.000 0.783 1337 E HN 0.348 nan 8.360 nan 0.000 0.481 1338 V N 0.557 120.471 119.914 0.001 0.000 2.581 1338 V HA -0.030 4.090 4.120 -0.000 0.000 0.240 1338 V C 1.781 177.884 176.094 0.015 0.000 1.054 1338 V CA 0.867 63.169 62.300 0.003 0.000 1.076 1338 V CB 0.085 31.906 31.823 -0.004 0.000 0.748 1338 V HN 0.167 nan 8.190 nan 0.000 0.474 1339 L N 0.267 121.504 121.223 0.024 0.000 2.728 1339 L HA 0.583 4.923 4.340 -0.000 0.000 0.238 1339 L C 0.822 177.714 176.870 0.038 0.000 1.143 1339 L CA 0.508 55.368 54.840 0.034 0.000 0.937 1339 L CB 0.271 42.358 42.059 0.047 0.000 1.225 1339 L HN 0.509 nan 8.230 nan 0.000 0.507 1340 G N 0.358 109.180 108.800 0.036 0.000 2.785 1340 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 1340 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 1340 G C 0.299 175.229 174.900 0.050 0.000 1.155 1340 G CA -0.245 44.878 45.100 0.038 0.000 0.760 1340 G HN 0.016 nan 8.290 nan 0.000 0.624 1341 I N 0.650 121.250 120.570 0.051 0.000 2.121 1341 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 1341 I C 2.399 178.558 176.117 0.069 0.000 1.047 1341 I CA 2.947 64.285 61.300 0.062 0.000 1.308 1341 I CB 0.080 38.114 38.000 0.056 0.000 1.015 1341 I HN 0.729 nan 8.210 nan 0.000 0.410 1342 E N 0.169 120.404 120.200 0.058 0.000 2.265 1342 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 1342 E C 2.093 178.731 176.600 0.064 0.000 0.996 1342 E CA 1.081 57.514 56.400 0.056 0.000 0.832 1342 E CB -0.184 29.542 29.700 0.043 0.000 0.756 1342 E HN 0.679 nan 8.360 nan 0.000 0.491 1343 A N 0.227 123.090 122.820 0.071 0.000 1.975 1343 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 1343 A C 2.331 179.987 177.584 0.120 0.000 1.170 1343 A CA 1.212 53.302 52.037 0.089 0.000 0.656 1343 A CB -0.635 18.416 19.000 0.085 0.000 0.821 1343 A HN 0.307 nan 8.150 nan 0.000 0.449 1344 G N 0.004 108.875 108.800 0.120 0.000 2.628 1344 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 1344 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 1344 G C 1.682 176.673 174.900 0.151 0.000 1.240 1344 G CA 1.141 46.337 45.100 0.159 0.000 0.792 1344 G HN 0.484 nan 8.290 nan 0.000 0.593 1345 R N 0.514 121.082 120.500 0.113 0.000 2.190 1345 R HA -0.269 4.070 4.340 -0.000 0.000 0.255 1345 R C 2.716 179.088 176.300 0.120 0.000 1.143 1345 R CA 2.069 58.225 56.100 0.093 0.000 0.965 1345 R CB -0.565 29.775 30.300 0.067 0.000 0.889 1345 R HN 0.376 nan 8.270 nan 0.000 0.448 1346 A N -0.764 122.131 122.820 0.124 0.000 2.119 1346 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 1346 A C 2.034 179.762 177.584 0.241 0.000 1.152 1346 A CA 1.191 53.316 52.037 0.147 0.000 0.708 1346 A CB -0.138 18.920 19.000 0.098 0.000 0.805 1346 A HN 0.527 nan 8.150 nan 0.000 0.460 1347 A N -0.475 122.497 122.820 0.253 0.000 1.887 1347 A HA 0.216 4.536 4.320 -0.000 0.000 0.212 1347 A C 1.975 179.696 177.584 0.228 0.000 1.198 1347 A CA 1.111 53.347 52.037 0.331 0.000 0.628 1347 A CB -0.622 18.569 19.000 0.318 0.000 0.847 1347 A HN 0.550 nan 8.150 nan 0.000 0.449 1348 L N -0.960 120.318 121.223 0.092 0.000 1.997 1348 L HA -0.237 4.103 4.340 -0.000 0.000 0.216 1348 L C 2.275 179.111 176.870 -0.057 0.000 1.074 1348 L CA 2.739 57.454 54.840 -0.209 0.000 0.763 1348 L CB -0.987 40.923 42.059 -0.248 0.000 0.890 1348 L HN 0.551 nan 8.230 nan 0.000 0.434 1349 Y N 0.645 120.929 120.300 -0.027 0.000 2.014 1349 Y HA -0.433 4.117 4.550 -0.000 0.000 0.270 1349 Y C 2.825 178.787 175.900 0.103 0.000 1.145 1349 Y CA 2.767 60.887 58.100 0.033 0.000 1.106 1349 Y CB -0.492 37.999 38.460 0.053 0.000 0.968 1349 Y HN 0.302 nan 8.280 nan 0.000 0.484 1350 K N -0.077 120.545 120.400 0.369 0.000 2.107 1350 K HA -0.329 3.991 4.320 -0.000 0.000 0.211 1350 K C 1.990 178.686 176.600 0.161 0.000 1.049 1350 K CA 2.280 58.725 56.287 0.263 0.000 0.927 1350 K CB -0.326 32.334 32.500 0.266 0.000 0.714 1350 K HN 0.367 nan 8.250 nan 0.000 0.452 1351 E N -0.221 120.062 120.200 0.139 0.000 2.107 1351 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 1351 E C 1.815 178.423 176.600 0.013 0.000 0.982 1351 E CA 0.881 57.345 56.400 0.106 0.000 0.809 1351 E CB 0.057 29.818 29.700 0.102 0.000 0.756 1351 E HN 0.178 nan 8.360 nan 0.000 0.459 1352 V N 0.201 120.068 119.914 -0.078 0.000 2.307 1352 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 1352 V C 1.971 178.001 176.094 -0.107 0.000 1.045 1352 V CA 1.993 64.223 62.300 -0.117 0.000 1.024 1352 V CB -0.621 31.101 31.823 -0.169 0.000 0.651 1352 V HN 0.377 nan 8.190 nan 0.000 0.449 1353 Y N 1.481 121.596 120.300 -0.309 0.000 2.097 1353 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 1353 Y C 2.288 178.140 175.900 -0.081 0.000 1.152 1353 Y CA 2.116 60.065 58.100 -0.251 0.000 1.136 1353 Y CB -0.290 37.957 38.460 -0.355 0.000 0.975 1353 Y HN 0.243 nan 8.280 nan 0.000 0.498 1354 N N 0.272 119.099 118.700 0.212 0.000 2.617 1354 N HA -0.102 4.638 4.740 -0.000 0.000 0.198 1354 N C 1.050 176.585 175.510 0.041 0.000 1.317 1354 N CA 0.605 53.749 53.050 0.157 0.000 0.892 1354 N CB 0.329 38.932 38.487 0.193 0.000 1.041 1354 N HN 0.300 nan 8.380 nan 0.000 0.450 1355 V N 0.005 119.903 119.914 -0.026 0.000 3.151 1355 V HA 0.034 4.154 4.120 -0.000 0.000 0.241 1355 V C 1.799 177.846 176.094 -0.079 0.000 1.173 1355 V CA 0.222 62.500 62.300 -0.037 0.000 1.154 1355 V CB 0.324 32.130 31.823 -0.028 0.000 0.898 1355 V HN 0.092 nan 8.190 nan 0.000 0.473 1356 I N 0.908 121.389 120.570 -0.147 0.000 2.277 1356 I HA 0.054 4.224 4.170 -0.000 0.000 0.243 1356 I C 2.235 178.246 176.117 -0.177 0.000 1.094 1356 I CA 1.802 63.005 61.300 -0.161 0.000 1.393 1356 I CB -1.323 36.563 38.000 -0.189 0.000 1.078 1356 I HN 0.338 nan 8.210 nan 0.000 0.417 1357 A N 0.429 123.061 122.820 -0.314 0.000 2.370 1357 A HA 0.089 4.409 4.320 -0.000 0.000 0.238 1357 A C 2.022 179.548 177.584 -0.096 0.000 1.289 1357 A CA 0.646 52.539 52.037 -0.239 0.000 0.885 1357 A CB -0.556 18.182 19.000 -0.437 0.000 0.961 1357 A HN 0.468 nan 8.150 nan 0.000 0.499 1358 S N -0.705 114.956 115.700 -0.065 0.000 2.470 1358 S HA -0.040 4.429 4.470 -0.000 0.000 0.225 1358 S C 0.656 175.261 174.600 0.008 0.000 1.006 1358 S CA 0.956 59.152 58.200 -0.006 0.000 0.934 1358 S CB -0.045 63.156 63.200 0.002 0.000 0.778 1358 S HN 0.430 nan 8.310 nan 0.000 0.517 1359 D N 0.951 121.351 120.400 0.000 0.000 2.398 1359 D HA 0.292 4.932 4.640 -0.000 0.000 0.210 1359 D C 1.100 177.428 176.300 0.047 0.000 1.094 1359 D CA 0.600 54.619 54.000 0.032 0.000 0.839 1359 D CB 0.535 41.351 40.800 0.027 0.000 0.963 1359 D HN 0.563 nan 8.370 nan 0.000 0.506 1360 G N 0.840 109.656 108.800 0.026 0.000 2.165 1360 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 1360 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 1360 G C 0.351 175.270 174.900 0.030 0.000 1.035 1360 G CA 0.206 45.324 45.100 0.030 0.000 0.744 1360 G HN 0.264 nan 8.290 nan 0.000 0.501 1361 S N -1.229 114.481 115.700 0.017 0.000 2.786 1361 S HA 0.896 5.366 4.470 -0.000 0.000 0.307 1361 S C -0.990 173.665 174.600 0.093 0.000 1.121 1361 S CA -0.484 57.739 58.200 0.039 0.000 0.975 1361 S CB 2.048 65.254 63.200 0.009 0.000 1.220 1361 S HN 1.192 nan 8.310 nan 0.000 0.550 1362 Y N 0.419 120.682 120.300 -0.061 0.000 2.376 1362 Y HA 0.526 5.076 4.550 -0.000 0.000 0.321 1362 Y C -1.988 173.915 175.900 0.004 0.000 1.189 1362 Y CA -0.962 57.108 58.100 -0.049 0.000 1.069 1362 Y CB 0.283 38.737 38.460 -0.011 0.000 1.292 1362 Y HN 0.363 nan 8.280 nan 0.000 0.430 1363 V N 6.548 126.429 119.914 -0.055 0.000 2.495 1363 V HA 0.342 4.462 4.120 -0.000 0.000 0.298 1363 V C -0.028 175.995 176.094 -0.118 0.000 1.031 1363 V CA -1.178 61.032 62.300 -0.150 0.000 0.871 1363 V CB 1.748 33.588 31.823 0.028 0.000 0.988 1363 V HN 0.829 nan 8.190 nan 0.000 0.432 1364 N N 2.777 121.360 118.700 -0.195 0.000 2.458 1364 N HA -0.069 4.671 4.740 -0.000 0.000 0.258 1364 N C 1.045 176.670 175.510 0.192 0.000 1.219 1364 N CA 0.246 53.314 53.050 0.030 0.000 0.902 1364 N CB 0.550 39.018 38.487 -0.033 0.000 1.076 1364 N HN 0.770 nan 8.380 nan 0.000 0.455 1365 Y N 5.783 126.231 120.300 0.247 0.000 2.073 1365 Y HA -0.400 4.150 4.550 -0.000 0.000 0.270 1365 Y C 2.394 178.340 175.900 0.076 0.000 1.226 1365 Y CA 2.996 61.256 58.100 0.266 0.000 1.117 1365 Y CB -0.128 38.470 38.460 0.230 0.000 0.939 1365 Y HN 0.737 nan 8.280 nan 0.000 0.504 1366 R N -0.834 119.620 120.500 -0.076 0.000 2.154 1366 R HA -0.248 4.091 4.340 -0.000 0.000 0.248 1366 R C 1.697 177.824 176.300 -0.287 0.000 1.155 1366 R CA 1.973 57.871 56.100 -0.337 0.000 0.979 1366 R CB -1.319 28.692 30.300 -0.482 0.000 0.869 1366 R HN 0.507 nan 8.270 nan 0.000 0.452 1367 H N 1.133 120.201 119.070 -0.004 0.000 2.268 1367 H HA 0.066 4.622 4.556 -0.000 0.000 0.304 1367 H C 2.382 177.694 175.328 -0.026 0.000 1.064 1367 H CA 1.770 57.827 56.048 0.015 0.000 1.316 1367 H CB -0.463 29.313 29.762 0.023 0.000 1.386 1367 H HN 0.189 nan 8.280 nan 0.000 0.496 1368 M N 0.531 120.197 119.600 0.110 0.000 2.108 1368 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 1368 M C 2.750 179.065 176.300 0.026 0.000 1.066 1368 M CA 1.537 56.863 55.300 0.044 0.000 1.107 1368 M CB -0.344 32.268 32.600 0.020 0.000 1.356 1368 M HN 0.249 nan 8.290 nan 0.000 0.406 1369 A N 0.494 123.275 122.820 -0.066 0.000 1.917 1369 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 1369 A C 2.154 179.663 177.584 -0.126 0.000 1.182 1369 A CA 1.769 53.674 52.037 -0.220 0.000 0.633 1369 A CB -0.925 17.599 19.000 -0.794 0.000 0.819 1369 A HN 0.475 nan 8.150 nan 0.000 0.448 1370 L N -0.625 120.544 121.223 -0.090 0.000 2.017 1370 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 1370 L C 2.313 179.173 176.870 -0.017 0.000 1.073 1370 L CA 2.239 57.066 54.840 -0.023 0.000 0.745 1370 L CB -0.555 41.540 42.059 0.061 0.000 0.894 1370 L HN 0.439 nan 8.230 nan 0.000 0.432 1371 L N -0.985 120.229 121.223 -0.015 0.000 1.955 1371 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 1371 L C 2.367 179.219 176.870 -0.030 0.000 1.072 1371 L CA 2.220 57.039 54.840 -0.036 0.000 0.755 1371 L CB -1.136 40.897 42.059 -0.045 0.000 0.888 1371 L HN 0.077 nan 8.230 nan 0.000 0.432 1372 V N 0.530 120.435 119.914 -0.015 0.000 2.370 1372 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 1372 V C 2.157 178.252 176.094 0.002 0.000 1.068 1372 V CA 2.239 64.539 62.300 0.000 0.000 1.061 1372 V CB -0.933 30.929 31.823 0.064 0.000 0.656 1372 V HN 0.591 nan 8.190 nan 0.000 0.455 1373 D N -0.923 119.472 120.400 -0.009 0.000 2.289 1373 D HA -0.042 4.597 4.640 -0.000 0.000 0.207 1373 D C 2.013 178.309 176.300 -0.005 0.000 0.966 1373 D CA 0.730 54.727 54.000 -0.006 0.000 0.868 1373 D CB -0.077 40.711 40.800 -0.019 0.000 0.943 1373 D HN 0.358 nan 8.370 nan 0.000 0.514 1374 V N 0.943 120.849 119.914 -0.014 0.000 2.427 1374 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 1374 V C 1.913 178.012 176.094 0.009 0.000 1.051 1374 V CA 1.140 63.432 62.300 -0.014 0.000 1.048 1374 V CB -0.552 31.249 31.823 -0.037 0.000 0.666 1374 V HN 0.229 nan 8.190 nan 0.000 0.456 1375 M N -0.321 119.288 119.600 0.014 0.000 2.752 1375 M HA 0.027 4.507 4.480 -0.000 0.000 0.214 1375 M C 1.208 177.540 176.300 0.052 0.000 1.123 1375 M CA 0.796 56.121 55.300 0.042 0.000 1.017 1375 M CB -0.434 32.190 32.600 0.039 0.000 1.785 1375 M HN 0.239 nan 8.290 nan 0.000 0.499 1376 T N -1.626 112.953 114.554 0.042 0.000 3.250 1376 T HA -0.020 4.330 4.350 -0.000 0.000 0.265 1376 T C 1.941 176.668 174.700 0.045 0.000 0.973 1376 T CA 1.005 63.134 62.100 0.049 0.000 1.040 1376 T CB 0.095 68.990 68.868 0.045 0.000 1.167 1376 T HN 0.537 nan 8.240 nan 0.000 0.471 1377 T N 1.029 115.602 114.554 0.032 0.000 2.674 1377 T HA -0.096 4.253 4.350 -0.000 0.000 0.265 1377 T C 1.209 175.929 174.700 0.034 0.000 1.039 1377 T CA 1.024 63.141 62.100 0.029 0.000 1.150 1377 T CB -0.694 68.177 68.868 0.004 0.000 0.864 1377 T HN 0.359 nan 8.240 nan 0.000 0.427 1378 Q N 2.147 121.966 119.800 0.033 0.000 2.282 1378 Q HA 0.279 4.619 4.340 -0.000 0.000 0.276 1378 Q C 1.513 177.540 176.000 0.044 0.000 1.198 1378 Q CA 0.383 56.209 55.803 0.038 0.000 0.943 1378 Q CB -0.646 28.116 28.738 0.041 0.000 1.275 1378 Q HN 0.686 nan 8.270 nan 0.000 0.424 1379 G N 3.908 112.733 108.800 0.043 0.000 2.690 1379 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.362 1379 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.362 1379 G C 0.532 175.462 174.900 0.050 0.000 1.132 1379 G CA 0.379 45.505 45.100 0.044 0.000 0.922 1379 G HN 0.843 nan 8.290 nan 0.000 0.595 1380 G N -0.966 107.866 108.800 0.053 0.000 2.882 1380 G HA2 0.535 4.495 3.960 -0.000 0.000 0.164 1380 G HA3 0.535 4.495 3.960 -0.000 0.000 0.164 1380 G C -0.196 174.750 174.900 0.076 0.000 1.429 1380 G CA -0.383 44.753 45.100 0.060 0.000 1.059 1380 G HN 0.811 nan 8.290 nan 0.000 0.581 1381 L N 1.351 122.629 121.223 0.090 0.000 2.313 1381 L HA 0.331 4.671 4.340 -0.000 0.000 0.282 1381 L C -0.158 176.779 176.870 0.111 0.000 1.092 1381 L CA -0.214 54.698 54.840 0.121 0.000 0.831 1381 L CB 1.232 43.392 42.059 0.168 0.000 1.159 1381 L HN 0.337 nan 8.230 nan 0.000 0.442 1382 T N 0.692 115.312 114.554 0.110 0.000 2.758 1382 T HA 0.340 4.690 4.350 -0.000 0.000 0.285 1382 T C 0.194 174.977 174.700 0.138 0.000 0.981 1382 T CA -0.850 61.317 62.100 0.111 0.000 0.965 1382 T CB 1.317 70.244 68.868 0.099 0.000 0.927 1382 T HN 0.620 nan 8.240 nan 0.000 0.448 1383 S N 1.782 117.574 115.700 0.154 0.000 2.600 1383 S HA 0.316 4.786 4.470 -0.000 0.000 0.265 1383 S C 0.335 175.093 174.600 0.263 0.000 1.325 1383 S CA -0.814 57.497 58.200 0.185 0.000 1.002 1383 S CB 0.487 63.801 63.200 0.190 0.000 0.921 1383 S HN 0.480 nan 8.310 nan 0.000 0.554 1384 V N 2.799 122.864 119.914 0.253 0.000 2.112 1384 V HA 0.369 4.488 4.120 -0.000 0.000 0.271 1384 V C 0.059 176.407 176.094 0.424 0.000 1.465 1384 V CA -0.008 62.497 62.300 0.342 0.000 1.419 1384 V CB -1.264 30.601 31.823 0.069 0.000 1.409 1384 V HN 1.116 nan 8.190 nan 0.000 0.495 1385 T N -0.342 114.432 114.554 0.366 0.000 2.648 1385 T HA 0.294 4.644 4.350 -0.000 0.000 0.304 1385 T C 0.989 175.417 174.700 -0.454 0.000 1.312 1385 T CA -0.972 61.224 62.100 0.160 0.000 1.023 1385 T CB 1.276 70.253 68.868 0.183 0.000 1.612 1385 T HN 0.355 nan 8.240 nan 0.000 0.487 1386 R N 0.500 120.762 120.500 -0.396 0.000 2.341 1386 R HA -0.080 4.259 4.340 -0.000 0.000 0.213 1386 R C 1.113 177.079 176.300 -0.557 0.000 1.082 1386 R CA 1.326 57.123 56.100 -0.505 0.000 1.017 1386 R CB -0.624 29.468 30.300 -0.347 0.000 0.860 1386 R HN 0.662 nan 8.270 nan 0.000 0.473 1387 H N 0.186 119.167 119.070 -0.147 0.000 2.439 1387 H HA 0.189 4.745 4.556 -0.000 0.000 0.299 1387 H C 2.049 177.318 175.328 -0.099 0.000 1.033 1387 H CA 0.826 56.822 56.048 -0.087 0.000 1.348 1387 H CB -0.370 29.381 29.762 -0.019 0.000 1.449 1387 H HN 0.315 nan 8.280 nan 0.000 0.544 1388 G N 2.197 111.006 108.800 0.015 0.000 2.752 1388 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.209 1388 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.209 1388 G C 0.802 175.703 174.900 0.001 0.000 1.392 1388 G CA 0.718 45.854 45.100 0.060 0.000 0.873 1388 G HN 0.306 nan 8.290 nan 0.000 0.586 1389 F N 1.564 121.494 119.950 -0.033 0.000 2.188 1389 F HA 0.385 4.911 4.527 -0.000 0.000 0.279 1389 F C 0.844 176.599 175.800 -0.074 0.000 1.210 1389 F CA -0.455 57.503 58.000 -0.071 0.000 1.200 1389 F CB -0.724 38.194 39.000 -0.138 0.000 1.552 1389 F HN 0.721 nan 8.300 nan 0.000 0.507 1390 N N -0.289 118.456 118.700 0.074 0.000 5.495 1390 N HA -0.407 4.333 4.740 -0.000 0.000 0.335 1390 N C 0.598 176.053 175.510 -0.091 0.000 0.914 1390 N CA 1.727 54.747 53.050 -0.050 0.000 1.149 1390 N CB -0.692 37.664 38.487 -0.219 0.000 0.791 1390 N HN 1.417 nan 8.380 nan 0.000 0.517 1391 R N -3.424 117.031 120.500 -0.076 0.000 4.021 1391 R HA -0.283 4.056 4.340 -0.000 0.000 0.392 1391 R C -0.311 175.976 176.300 -0.021 0.000 1.156 1391 R CA 2.271 58.340 56.100 -0.052 0.000 1.328 1391 R CB -2.811 27.447 30.300 -0.071 0.000 1.863 1391 R HN 1.285 nan 8.270 nan 0.000 0.569 1392 S N 2.063 117.758 115.700 -0.008 0.000 3.456 1392 S HA 0.090 4.560 4.470 -0.000 0.000 0.229 1392 S C 0.559 175.166 174.600 0.012 0.000 1.416 1392 S CA -0.065 58.141 58.200 0.010 0.000 1.197 1392 S CB -0.573 62.641 63.200 0.023 0.000 1.201 1392 S HN 0.657 nan 8.310 nan 0.000 0.479 1393 N N -0.523 118.181 118.700 0.005 0.000 2.678 1393 N HA -0.294 4.446 4.740 -0.000 0.000 0.249 1393 N C 0.355 175.871 175.510 0.010 0.000 1.119 1393 N CA 1.314 54.367 53.050 0.005 0.000 0.718 1393 N CB -2.506 35.986 38.487 0.009 0.000 1.060 1393 N HN 0.544 nan 8.380 nan 0.000 0.552 1394 T N 0.028 114.590 114.554 0.013 0.000 2.571 1394 T HA 0.193 4.543 4.350 -0.000 0.000 0.225 1394 T C 1.230 175.945 174.700 0.024 0.000 1.319 1394 T CA 1.446 63.558 62.100 0.020 0.000 1.602 1394 T CB -0.458 68.427 68.868 0.028 0.000 0.979 1394 T HN 0.651 nan 8.240 nan 0.000 0.379 1395 G N -0.957 107.861 108.800 0.030 0.000 2.618 1395 G HA2 0.579 4.539 3.960 -0.000 0.000 0.280 1395 G HA3 0.579 4.539 3.960 -0.000 0.000 0.280 1395 G C 0.593 175.522 174.900 0.049 0.000 1.458 1395 G CA 0.138 45.267 45.100 0.048 0.000 1.224 1395 G HN 0.547 nan 8.290 nan 0.000 0.576 1396 A N 2.713 125.557 122.820 0.040 0.000 1.883 1396 A HA -0.212 4.108 4.320 -0.000 0.000 0.222 1396 A C 2.473 180.053 177.584 -0.007 0.000 1.339 1396 A CA 2.153 54.155 52.037 -0.058 0.000 0.692 1396 A CB -0.849 17.993 19.000 -0.264 0.000 0.845 1396 A HN 0.834 nan 8.150 nan 0.000 0.467 1397 L N -1.506 119.782 121.223 0.108 0.000 2.051 1397 L HA -0.273 4.067 4.340 -0.000 0.000 0.214 1397 L C 2.895 179.806 176.870 0.069 0.000 1.076 1397 L CA 2.234 57.142 54.840 0.112 0.000 0.758 1397 L CB -0.405 41.746 42.059 0.152 0.000 0.890 1397 L HN 0.725 nan 8.230 nan 0.000 0.433 1398 M N -1.113 118.525 119.600 0.064 0.000 2.447 1398 M HA -0.099 4.380 4.480 -0.000 0.000 0.264 1398 M C 2.265 178.608 176.300 0.071 0.000 1.095 1398 M CA 1.205 56.541 55.300 0.060 0.000 1.125 1398 M CB 0.062 32.690 32.600 0.046 0.000 1.389 1398 M HN 0.071 nan 8.290 nan 0.000 0.459 1399 R N -0.159 120.375 120.500 0.056 0.000 2.119 1399 R HA -0.095 4.244 4.340 -0.000 0.000 0.222 1399 R C 2.570 178.921 176.300 0.084 0.000 1.088 1399 R CA 1.612 57.749 56.100 0.063 0.000 0.984 1399 R CB -0.415 29.894 30.300 0.015 0.000 0.884 1399 R HN 0.728 nan 8.270 nan 0.000 0.447 1400 C N -0.093 119.232 119.300 0.043 0.000 2.464 1400 C HA 0.094 4.554 4.460 -0.000 0.000 0.278 1400 C C 2.158 177.188 174.990 0.066 0.000 1.375 1400 C CA 0.234 59.267 59.018 0.026 0.000 1.761 1400 C CB -0.693 27.029 27.740 -0.031 0.000 1.944 1400 C HN 0.288 nan 8.230 nan 0.000 0.509 1401 S N -0.081 115.675 115.700 0.094 0.000 2.727 1401 S HA 0.079 4.549 4.470 -0.000 0.000 0.226 1401 S C 0.724 175.446 174.600 0.202 0.000 0.963 1401 S CA 0.443 58.708 58.200 0.110 0.000 0.950 1401 S CB -0.693 62.561 63.200 0.090 0.000 0.779 1401 S HN 0.742 nan 8.310 nan 0.000 0.532 1402 F N 1.693 121.669 119.950 0.043 0.000 2.453 1402 F HA 0.567 5.093 4.527 -0.000 0.000 0.239 1402 F C 0.649 176.485 175.800 0.060 0.000 1.013 1402 F CA -0.332 57.714 58.000 0.076 0.000 1.025 1402 F CB -0.062 39.017 39.000 0.131 0.000 1.214 1402 F HN 0.082 nan 8.300 nan 0.000 0.681 1403 E N -0.399 119.667 120.200 -0.224 0.000 2.423 1403 E HA 0.278 4.628 4.350 -0.000 0.000 0.269 1403 E C -1.227 175.304 176.600 -0.115 0.000 0.948 1403 E CA -0.636 55.538 56.400 -0.377 0.000 0.802 1403 E CB 1.669 31.004 29.700 -0.608 0.000 1.339 1403 E HN 0.230 nan 8.360 nan 0.000 0.445 1404 E N 0.268 120.403 120.200 -0.108 0.000 2.197 1404 E HA -0.236 4.114 4.350 -0.000 0.000 0.184 1404 E C 0.035 176.611 176.600 -0.040 0.000 1.439 1404 E CA 0.521 56.886 56.400 -0.058 0.000 0.688 1404 E CB -1.186 28.486 29.700 -0.046 0.000 1.090 1404 E HN 0.523 nan 8.360 nan 0.000 0.341 1405 T N -1.570 112.956 114.554 -0.046 0.000 2.904 1405 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 1405 T C 1.885 176.543 174.700 -0.070 0.000 1.059 1405 T CA 1.250 63.322 62.100 -0.046 0.000 1.137 1405 T CB 0.164 69.006 68.868 -0.044 0.000 0.879 1405 T HN 0.209 nan 8.240 nan 0.000 0.467 1406 V N 1.511 121.391 119.914 -0.057 0.000 2.284 1406 V HA -0.061 4.059 4.120 -0.000 0.000 0.236 1406 V C 2.340 178.413 176.094 -0.034 0.000 1.044 1406 V CA 1.117 63.366 62.300 -0.086 0.000 1.019 1406 V CB -0.972 30.861 31.823 0.017 0.000 0.657 1406 V HN 0.341 nan 8.190 nan 0.000 0.465 1407 E N 0.327 120.609 120.200 0.137 0.000 2.164 1407 E HA -0.273 4.077 4.350 -0.000 0.000 0.206 1407 E C 2.207 178.847 176.600 0.067 0.000 1.032 1407 E CA 1.992 58.496 56.400 0.173 0.000 0.832 1407 E CB -0.306 29.441 29.700 0.078 0.000 0.742 1407 E HN 0.456 nan 8.360 nan 0.000 0.460 1408 I N 0.683 121.243 120.570 -0.018 0.000 2.087 1408 I HA -0.318 3.852 4.170 -0.000 0.000 0.240 1408 I C 2.500 178.521 176.117 -0.159 0.000 1.054 1408 I CA 1.629 62.884 61.300 -0.075 0.000 1.311 1408 I CB -1.037 36.916 38.000 -0.078 0.000 1.024 1408 I HN 0.200 nan 8.210 nan 0.000 0.402 1409 L N -0.907 120.178 121.223 -0.229 0.000 2.131 1409 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 1409 L C 2.525 179.232 176.870 -0.273 0.000 1.092 1409 L CA 1.182 55.790 54.840 -0.386 0.000 0.759 1409 L CB -0.632 41.209 42.059 -0.362 0.000 0.903 1409 L HN 0.064 nan 8.230 nan 0.000 0.435 1410 F N 0.898 120.764 119.950 -0.140 0.000 2.022 1410 F HA -0.239 4.288 4.527 -0.000 0.000 0.293 1410 F C 2.744 178.589 175.800 0.075 0.000 1.142 1410 F CA 1.552 59.493 58.000 -0.098 0.000 1.177 1410 F CB -0.249 38.590 39.000 -0.268 0.000 0.982 1410 F HN 0.150 nan 8.300 nan 0.000 0.473 1411 E N 0.691 121.034 120.200 0.238 0.000 2.333 1411 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 1411 E C 1.915 178.497 176.600 -0.031 0.000 1.007 1411 E CA 0.938 57.407 56.400 0.115 0.000 0.845 1411 E CB -0.445 29.276 29.700 0.034 0.000 0.766 1411 E HN 0.394 nan 8.360 nan 0.000 0.507 1412 A N 1.616 124.374 122.820 -0.103 0.000 1.968 1412 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 1412 A C 2.425 179.927 177.584 -0.138 0.000 1.169 1412 A CA 1.120 53.018 52.037 -0.231 0.000 0.638 1412 A CB -0.751 17.925 19.000 -0.539 0.000 0.812 1412 A HN 0.407 nan 8.150 nan 0.000 0.446 1413 G N -1.121 107.664 108.800 -0.024 0.000 2.572 1413 G HA2 0.211 4.170 3.960 -0.000 0.000 0.216 1413 G HA3 0.211 4.170 3.960 -0.000 0.000 0.216 1413 G C 1.420 176.334 174.900 0.023 0.000 1.133 1413 G CA 1.095 46.274 45.100 0.132 0.000 0.791 1413 G HN 0.672 nan 8.290 nan 0.000 0.538 1414 A N 0.650 123.408 122.820 -0.104 0.000 1.887 1414 A HA 0.225 4.545 4.320 -0.000 0.000 0.212 1414 A C 2.555 179.788 177.584 -0.585 0.000 1.198 1414 A CA 1.614 53.366 52.037 -0.474 0.000 0.628 1414 A CB -0.406 18.249 19.000 -0.575 0.000 0.847 1414 A HN 0.202 nan 8.150 nan 0.000 0.449 1415 S N -0.405 115.067 115.700 -0.381 0.000 2.440 1415 S HA 0.191 4.661 4.470 -0.000 0.000 0.238 1415 S C 1.120 175.592 174.600 -0.213 0.000 1.010 1415 S CA 0.945 58.960 58.200 -0.308 0.000 0.972 1415 S CB -0.539 62.553 63.200 -0.179 0.000 0.774 1415 S HN 1.758 nan 8.310 nan 0.000 0.501 1416 A N 1.395 124.122 122.820 -0.156 0.000 2.360 1416 A HA -0.193 4.127 4.320 -0.000 0.000 0.289 1416 A C -0.019 177.510 177.584 -0.091 0.000 1.437 1416 A CA 0.469 52.445 52.037 -0.101 0.000 0.734 1416 A CB -1.823 17.104 19.000 -0.122 0.000 1.145 1416 A HN 0.561 nan 8.150 nan 0.000 0.374 1417 E N -0.683 119.510 120.200 -0.011 0.000 2.259 1417 E HA 0.440 4.790 4.350 -0.000 0.000 0.281 1417 E C 0.051 176.676 176.600 0.042 0.000 1.037 1417 E CA -0.528 55.883 56.400 0.019 0.000 0.854 1417 E CB 1.006 30.732 29.700 0.043 0.000 1.051 1417 E HN 0.629 nan 8.360 nan 0.000 0.409 1418 L N 3.660 124.863 121.223 -0.034 0.000 2.276 1418 L HA 0.214 4.554 4.340 -0.000 0.000 0.286 1418 L C -0.530 176.338 176.870 -0.002 0.000 1.061 1418 L CA -0.190 54.612 54.840 -0.063 0.000 0.807 1418 L CB 0.877 42.873 42.059 -0.104 0.000 1.177 1418 L HN 0.403 nan 8.230 nan 0.000 0.429 1419 D N 2.442 122.843 120.400 0.002 0.000 2.210 1419 D HA 0.124 4.764 4.640 -0.000 0.000 0.249 1419 D C 0.406 176.711 176.300 0.007 0.000 1.078 1419 D CA -0.111 53.911 54.000 0.038 0.000 0.875 1419 D CB 1.589 42.436 40.800 0.078 0.000 1.175 1419 D HN 0.603 nan 8.370 nan 0.000 0.440 1420 D N 1.563 121.974 120.400 0.019 0.000 2.123 1420 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 1420 D C 0.427 176.733 176.300 0.011 0.000 0.976 1420 D CA 0.600 54.608 54.000 0.013 0.000 0.831 1420 D CB -0.035 40.777 40.800 0.019 0.000 0.974 1420 D HN 0.598 nan 8.370 nan 0.000 0.469 1421 C N 0.232 119.542 119.300 0.017 0.000 4.300 1421 C HA -0.143 4.316 4.460 -0.000 0.000 0.304 1421 C C 1.270 176.267 174.990 0.011 0.000 1.367 1421 C CA -0.081 58.945 59.018 0.013 0.000 2.032 1421 C CB -2.552 25.189 27.740 0.001 0.000 1.285 1421 C HN 0.408 nan 8.230 nan 0.000 0.737 1422 R N -0.271 120.239 120.500 0.017 0.000 2.509 1422 R HA 0.239 4.579 4.340 -0.000 0.000 0.297 1422 R C 1.293 177.603 176.300 0.016 0.000 0.951 1422 R CA 0.580 56.691 56.100 0.019 0.000 1.103 1422 R CB 0.768 31.087 30.300 0.032 0.000 1.283 1422 R HN 0.663 nan 8.270 nan 0.000 0.534 1423 G N -0.047 108.762 108.800 0.015 0.000 2.588 1423 G HA2 0.227 4.187 3.960 -0.000 0.000 0.281 1423 G HA3 0.227 4.187 3.960 -0.000 0.000 0.281 1423 G C 1.107 176.006 174.900 -0.002 0.000 1.236 1423 G CA -0.569 44.537 45.100 0.009 0.000 0.969 1423 G HN -0.112 nan 8.290 nan 0.000 0.504 1424 V N 0.215 120.124 119.914 -0.009 0.000 2.221 1424 V HA -0.140 3.980 4.120 -0.000 0.000 0.242 1424 V C 3.030 179.121 176.094 -0.004 0.000 1.041 1424 V CA 2.273 64.563 62.300 -0.016 0.000 0.995 1424 V CB -1.045 30.763 31.823 -0.025 0.000 0.635 1424 V HN 0.628 nan 8.190 nan 0.000 0.448 1425 S N -0.769 114.934 115.700 0.005 0.000 2.419 1425 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 1425 S C 1.949 176.564 174.600 0.025 0.000 1.019 1425 S CA 1.622 59.833 58.200 0.018 0.000 0.982 1425 S CB -0.325 62.893 63.200 0.030 0.000 0.789 1425 S HN 0.637 nan 8.310 nan 0.000 0.490 1426 E N 1.341 121.556 120.200 0.025 0.000 2.038 1426 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 1426 E C 1.756 178.366 176.600 0.017 0.000 1.000 1426 E CA 1.588 58.006 56.400 0.029 0.000 0.803 1426 E CB -0.181 29.536 29.700 0.028 0.000 0.750 1426 E HN 0.540 nan 8.360 nan 0.000 0.448 1427 N N -0.837 117.866 118.700 0.006 0.000 2.354 1427 N HA -0.077 4.663 4.740 -0.000 0.000 0.179 1427 N C 1.543 177.052 175.510 -0.001 0.000 1.021 1427 N CA 0.406 53.455 53.050 -0.001 0.000 0.887 1427 N CB 0.256 38.737 38.487 -0.011 0.000 0.974 1427 N HN -0.066 nan 8.380 nan 0.000 0.437 1428 V N 1.339 121.254 119.914 0.002 0.000 2.261 1428 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 1428 V C 1.574 177.675 176.094 0.011 0.000 1.047 1428 V CA 1.380 63.682 62.300 0.004 0.000 1.015 1428 V CB -0.351 31.475 31.823 0.005 0.000 0.642 1428 V HN 0.331 nan 8.190 nan 0.000 0.446 1429 I N -0.384 120.196 120.570 0.017 0.000 3.492 1429 I HA -0.063 4.106 4.170 -0.000 0.000 0.305 1429 I C 1.108 177.236 176.117 0.019 0.000 1.256 1429 I CA 1.011 62.325 61.300 0.023 0.000 1.244 1429 I CB -0.206 37.815 38.000 0.034 0.000 1.001 1429 I HN 0.280 nan 8.210 nan 0.000 0.536 1430 L N -0.408 120.822 121.223 0.012 0.000 3.689 1430 L HA 0.286 4.626 4.340 -0.000 0.000 0.344 1430 L C 1.167 178.040 176.870 0.005 0.000 1.221 1430 L CA -0.119 54.725 54.840 0.007 0.000 1.171 1430 L CB 0.762 42.822 42.059 0.002 0.000 1.540 1430 L HN 0.231 nan 8.230 nan 0.000 0.631 1431 G N 1.372 110.175 108.800 0.006 0.000 2.295 1431 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.287 1431 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.287 1431 G C -0.096 174.804 174.900 0.001 0.000 1.055 1431 G CA 0.379 45.482 45.100 0.006 0.000 0.922 1431 G HN 0.423 nan 8.290 nan 0.000 0.503 1432 Q N -1.247 118.551 119.800 -0.004 0.000 2.351 1432 Q HA 0.648 4.988 4.340 -0.000 0.000 0.273 1432 Q C 0.489 176.478 176.000 -0.018 0.000 1.077 1432 Q CA -1.023 54.775 55.803 -0.010 0.000 0.843 1432 Q CB 1.621 30.353 28.738 -0.010 0.000 1.367 1432 Q HN 0.395 nan 8.270 nan 0.000 0.449 1433 M N 1.881 121.466 119.600 -0.024 0.000 2.307 1433 M HA 0.252 4.732 4.480 -0.000 0.000 0.346 1433 M C -0.883 175.388 176.300 -0.048 0.000 1.552 1433 M CA -0.031 55.245 55.300 -0.039 0.000 1.116 1433 M CB 0.237 32.809 32.600 -0.046 0.000 1.889 1433 M HN 0.735 nan 8.290 nan 0.000 0.460 1434 A N 7.890 130.679 122.820 -0.052 0.000 2.309 1434 A HA 0.500 4.820 4.320 -0.000 0.000 0.290 1434 A C -2.178 175.359 177.584 -0.077 0.000 1.206 1434 A CA -1.576 50.429 52.037 -0.052 0.000 0.850 1434 A CB -0.330 18.645 19.000 -0.042 0.000 1.118 1434 A HN 0.650 nan 8.150 nan 0.000 0.523 1435 P HA -0.071 nan 4.420 nan 0.000 0.088 1435 P C -0.870 176.362 177.300 -0.113 0.000 0.712 1435 P CA 1.461 64.507 63.100 -0.091 0.000 1.102 1435 P CB -0.715 30.955 31.700 -0.049 0.000 1.624 1436 I N -0.525 119.959 120.570 -0.143 0.000 2.692 1436 I HA 0.312 4.482 4.170 -0.000 0.000 0.293 1436 I C 1.497 177.513 176.117 -0.168 0.000 1.200 1436 I CA -0.649 60.566 61.300 -0.141 0.000 1.036 1436 I CB 2.046 39.982 38.000 -0.107 0.000 1.258 1436 I HN 0.267 nan 8.210 nan 0.000 0.421 1437 G N 3.561 112.270 108.800 -0.152 0.000 2.985 1437 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.362 1437 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.362 1437 G C 1.111 175.915 174.900 -0.159 0.000 1.381 1437 G CA 1.889 46.918 45.100 -0.117 0.000 1.360 1437 G HN 0.551 nan 8.290 nan 0.000 0.810 1438 T N 1.285 115.744 114.554 -0.157 0.000 2.915 1438 T HA 0.188 4.538 4.350 -0.000 0.000 0.269 1438 T C 1.960 176.392 174.700 -0.447 0.000 1.071 1438 T CA 1.896 63.881 62.100 -0.192 0.000 1.132 1438 T CB -0.296 68.516 68.868 -0.092 0.000 0.878 1438 T HN 0.949 nan 8.240 nan 0.000 0.479 1439 G N -0.239 108.319 108.800 -0.404 0.000 3.605 1439 G HA2 0.459 4.419 3.960 -0.000 0.000 0.277 1439 G HA3 0.459 4.419 3.960 -0.000 0.000 0.277 1439 G C 1.291 175.919 174.900 -0.453 0.000 1.093 1439 G CA 0.430 45.279 45.100 -0.419 0.000 0.821 1439 G HN 0.430 nan 8.290 nan 0.000 0.532 1440 A N 0.451 122.912 122.820 -0.598 0.000 2.067 1440 A HA 0.408 4.727 4.320 -0.000 0.000 0.219 1440 A C 0.665 178.220 177.584 -0.048 0.000 1.158 1440 A CA 0.657 52.545 52.037 -0.248 0.000 0.661 1440 A CB -0.402 18.584 19.000 -0.023 0.000 0.801 1440 A HN 0.616 nan 8.150 nan 0.000 0.452 1441 F N -3.111 116.894 119.950 0.093 0.000 2.629 1441 F HA 0.759 5.286 4.527 -0.000 0.000 0.316 1441 F C -1.290 174.523 175.800 0.022 0.000 1.081 1441 F CA -2.399 55.633 58.000 0.053 0.000 0.954 1441 F CB 0.542 39.566 39.000 0.039 0.000 1.337 1441 F HN -0.249 nan 8.300 nan 0.000 0.474 1442 D N 0.871 121.425 120.400 0.257 0.000 2.181 1442 D HA 0.592 5.232 4.640 -0.000 0.000 0.248 1442 D C -0.826 175.589 176.300 0.193 0.000 1.020 1442 D CA -0.280 53.818 54.000 0.164 0.000 0.891 1442 D CB 2.346 43.196 40.800 0.082 0.000 1.187 1442 D HN 0.444 nan 8.370 nan 0.000 0.443 1443 V N 3.161 123.166 119.914 0.151 0.000 2.435 1443 V HA 0.516 4.636 4.120 -0.000 0.000 0.290 1443 V C 0.311 176.443 176.094 0.063 0.000 1.030 1443 V CA -0.507 61.860 62.300 0.112 0.000 0.881 1443 V CB 1.214 33.110 31.823 0.121 0.000 0.983 1443 V HN 0.432 nan 8.190 nan 0.000 0.445 1444 M N 4.618 124.242 119.600 0.041 0.000 2.719 1444 M HA 0.650 5.130 4.480 -0.000 0.000 0.291 1444 M C -0.920 175.392 176.300 0.019 0.000 1.264 1444 M CA -0.716 54.600 55.300 0.027 0.000 0.811 1444 M CB 2.654 35.267 32.600 0.020 0.000 1.756 1444 M HN 0.597 nan 8.290 nan 0.000 0.464 1445 I N -0.603 119.977 120.570 0.016 0.000 2.336 1445 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 1445 I C 0.509 176.631 176.117 0.008 0.000 0.991 1445 I CA -0.633 60.674 61.300 0.013 0.000 1.227 1445 I CB 0.892 38.901 38.000 0.015 0.000 1.366 1445 I HN 0.652 nan 8.210 nan 0.000 0.466 1446 D N 3.341 123.744 120.400 0.004 0.000 2.349 1446 D HA 0.004 4.644 4.640 -0.000 0.000 0.215 1446 D C 0.435 176.736 176.300 0.002 0.000 1.016 1446 D CA -0.009 53.992 54.000 0.001 0.000 0.870 1446 D CB 0.162 40.960 40.800 -0.003 0.000 0.917 1446 D HN 0.798 nan 8.370 nan 0.000 0.524 1447 E N 0.427 120.630 120.200 0.004 0.000 3.642 1447 E HA -0.334 4.016 4.350 -0.000 0.000 0.245 1447 E C 0.576 177.178 176.600 0.003 0.000 1.486 1447 E CA 1.550 57.953 56.400 0.004 0.000 2.265 1447 E CB -0.846 28.857 29.700 0.004 0.000 2.084 1447 E HN 0.168 nan 8.360 nan 0.000 0.472 1448 E N -1.740 118.461 120.200 0.003 0.000 3.870 1448 E HA -0.318 4.032 4.350 -0.000 0.000 0.329 1448 E C -0.766 175.835 176.600 0.002 0.000 0.702 1448 E CA 1.489 57.890 56.400 0.002 0.000 1.174 1448 E CB -1.192 28.508 29.700 0.000 0.000 1.619 1448 E HN 0.394 nan 8.360 nan 0.000 0.441 1449 S N 0.131 115.833 115.700 0.003 0.000 2.387 1449 S HA 0.389 4.859 4.470 -0.000 0.000 0.211 1449 S C -0.098 174.505 174.600 0.005 0.000 1.055 1449 S CA -0.177 58.026 58.200 0.003 0.000 1.133 1449 S CB 0.235 63.436 63.200 0.003 0.000 1.235 1449 S HN 0.254 nan 8.310 nan 0.000 0.425 1450 L N 2.634 123.860 121.223 0.005 0.000 3.742 1450 L HA -0.125 4.215 4.340 -0.000 0.000 0.431 1450 L C 0.172 177.044 176.870 0.003 0.000 1.220 1450 L CA 0.925 55.767 54.840 0.004 0.000 0.863 1450 L CB -2.996 39.065 42.059 0.004 0.000 1.751 1450 L HN 0.620 nan 8.230 nan 0.000 0.922 1451 V N 0.000 119.916 119.914 0.003 0.000 2.409 1451 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1451 V CA 0.000 62.302 62.300 0.003 0.000 1.235 1451 V CB 0.000 31.825 31.823 0.003 0.000 1.184 1451 V HN 0.000 nan 8.190 nan 0.000 0.556