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 3gtk_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 3.962 3.960 0.004 0.000 0.244 3 G C 0.000 174.901 174.900 0.002 0.000 0.946 3 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 4 Q N -0.572 119.231 119.800 0.005 0.000 2.505 4 Q HA 0.606 4.948 4.340 0.004 0.000 0.184 4 Q C 0.026 176.037 176.000 0.018 0.000 0.878 4 Q CA 0.204 56.010 55.803 0.006 0.000 0.811 4 Q CB 0.749 29.486 28.738 -0.001 0.000 1.118 4 Q HN 0.362 nan 8.270 nan 0.000 0.605 5 Q N -0.818 118.998 119.800 0.026 0.000 2.472 5 Q HA 0.281 4.624 4.340 0.004 0.000 0.281 5 Q C -1.922 174.128 176.000 0.083 0.000 0.997 5 Q CA -0.576 55.262 55.803 0.058 0.000 0.828 5 Q CB 2.005 30.774 28.738 0.052 0.000 1.443 5 Q HN 0.262 nan 8.270 nan 0.000 0.390 6 Y N 0.868 121.167 120.300 -0.002 0.000 2.497 6 Y HA 0.284 4.837 4.550 0.004 0.000 0.334 6 Y C -0.294 175.608 175.900 0.002 0.000 1.199 6 Y CA 0.998 59.098 58.100 0.000 0.000 1.425 6 Y CB 0.974 39.435 38.460 0.001 0.000 1.291 6 Y HN 0.456 nan 8.280 nan 0.000 0.562 7 S N 2.705 118.207 115.700 -0.330 0.000 2.536 7 S HA 0.291 4.763 4.470 0.004 0.000 0.287 7 S C -0.172 174.280 174.600 -0.246 0.000 1.101 7 S CA -0.338 57.766 58.200 -0.160 0.000 0.950 7 S CB 0.923 64.048 63.200 -0.126 0.000 1.056 7 S HN 0.796 nan 8.310 nan 0.000 0.481 8 S N 2.876 118.570 115.700 -0.010 0.000 2.859 8 S HA 0.472 4.944 4.470 0.004 0.000 0.245 8 S C 0.316 174.902 174.600 -0.022 0.000 1.008 8 S CA -0.174 58.044 58.200 0.029 0.000 1.089 8 S CB -0.587 62.672 63.200 0.099 0.000 0.798 8 S HN 1.047 nan 8.310 nan 0.000 0.477 9 A N 2.114 124.887 122.820 -0.078 0.000 2.285 9 A HA 0.690 5.012 4.320 0.004 0.000 0.310 9 A C -2.575 174.961 177.584 -0.079 0.000 1.266 9 A CA -1.672 50.331 52.037 -0.058 0.000 0.832 9 A CB 0.176 19.149 19.000 -0.046 0.000 1.163 9 A HN 0.394 nan 8.150 nan 0.000 0.499 10 P HA 0.193 nan 4.420 nan 0.000 0.263 10 P C -0.362 176.907 177.300 -0.051 0.000 1.195 10 P CA -0.166 62.904 63.100 -0.051 0.000 0.762 10 P CB 0.346 32.031 31.700 -0.024 0.000 0.799 11 L N 4.832 126.019 121.223 -0.060 0.000 2.369 11 L HA 0.277 4.619 4.340 0.004 0.000 0.279 11 L C 0.007 176.858 176.870 -0.033 0.000 1.108 11 L CA 0.570 55.380 54.840 -0.050 0.000 0.852 11 L CB -0.254 41.770 42.059 -0.058 0.000 1.169 11 L HN 0.312 nan 8.230 nan 0.000 0.452 12 R N 2.853 123.337 120.500 -0.027 0.000 2.930 12 R HA 0.629 4.972 4.340 0.004 0.000 0.257 12 R C -0.388 175.900 176.300 -0.020 0.000 1.107 12 R CA -1.009 55.079 56.100 -0.020 0.000 0.999 12 R CB 1.599 31.890 30.300 -0.016 0.000 1.209 12 R HN 0.590 nan 8.270 nan 0.000 0.486 13 T N 0.515 115.059 114.554 -0.017 0.000 2.881 13 T HA 0.228 4.581 4.350 0.004 0.000 0.278 13 T C -0.119 174.571 174.700 -0.017 0.000 0.982 13 T CA -0.530 61.560 62.100 -0.017 0.000 0.989 13 T CB 1.328 70.186 68.868 -0.016 0.000 1.058 13 T HN 0.093 nan 8.240 nan 0.000 0.529 14 V N 3.205 123.108 119.914 -0.018 0.000 2.432 14 V HA 0.214 4.336 4.120 0.004 0.000 0.271 14 V C 0.848 176.932 176.094 -0.018 0.000 1.046 14 V CA 0.024 62.311 62.300 -0.021 0.000 0.945 14 V CB 1.159 32.967 31.823 -0.024 0.000 0.992 14 V HN 0.738 nan 8.190 nan 0.000 0.471 15 K N 2.758 123.148 120.400 -0.018 0.000 2.325 15 K HA 0.338 4.660 4.320 0.004 0.000 0.203 15 K C 0.375 176.966 176.600 -0.015 0.000 1.128 15 K CA 0.460 56.739 56.287 -0.012 0.000 0.931 15 K CB 0.647 33.143 32.500 -0.008 0.000 1.125 15 K HN 0.635 nan 8.250 nan 0.000 0.487 16 E N 0.918 121.103 120.200 -0.025 0.000 2.222 16 E HA 0.358 4.710 4.350 0.004 0.000 0.267 16 E C -1.278 175.282 176.600 -0.066 0.000 0.884 16 E CA -0.574 55.805 56.400 -0.036 0.000 0.764 16 E CB 2.871 32.551 29.700 -0.035 0.000 1.169 16 E HN -0.262 nan 8.360 nan 0.000 0.413 17 V N 3.565 123.431 119.914 -0.080 0.000 2.326 17 V HA 0.170 4.293 4.120 0.004 0.000 0.281 17 V C -0.403 175.563 176.094 -0.215 0.000 1.015 17 V CA -0.680 61.514 62.300 -0.176 0.000 0.823 17 V CB 1.370 33.089 31.823 -0.174 0.000 1.009 17 V HN 0.570 nan 8.190 nan 0.000 0.436 18 Q N 4.356 123.996 119.800 -0.266 0.000 2.431 18 Q HA 0.433 4.775 4.340 0.004 0.000 0.249 18 Q C -1.013 174.825 176.000 -0.270 0.000 1.025 18 Q CA -0.445 55.205 55.803 -0.256 0.000 0.835 18 Q CB 1.051 29.613 28.738 -0.293 0.000 1.207 18 Q HN 0.585 nan 8.270 nan 0.000 0.490 19 F N 0.960 120.829 119.950 -0.134 0.000 2.484 19 F HA 0.492 5.021 4.527 0.004 0.000 0.360 19 F C 1.325 177.094 175.800 -0.052 0.000 1.101 19 F CA 0.682 58.641 58.000 -0.068 0.000 1.251 19 F CB 1.145 40.116 39.000 -0.048 0.000 1.132 19 F HN 0.532 nan 8.300 nan 0.000 0.570 20 G N 2.563 111.472 108.800 0.181 0.000 2.976 20 G HA2 0.768 4.731 3.960 0.004 0.000 0.276 20 G HA3 0.768 4.731 3.960 0.004 0.000 0.276 20 G C -1.705 173.272 174.900 0.128 0.000 1.207 20 G CA -0.816 44.399 45.100 0.192 0.000 0.803 20 G HN 0.478 nan 8.290 nan 0.000 0.572 21 L N -0.605 120.678 121.223 0.101 0.000 2.424 21 L HA 0.515 4.858 4.340 0.004 0.000 0.258 21 L C -1.326 175.518 176.870 -0.043 0.000 0.995 21 L CA -0.697 54.202 54.840 0.097 0.000 0.821 21 L CB 2.794 44.974 42.059 0.202 0.000 1.383 21 L HN 0.429 nan 8.230 nan 0.000 0.410 22 F N 0.884 120.856 119.950 0.037 0.000 2.410 22 F HA 0.324 4.853 4.527 0.004 0.000 0.348 22 F C 0.790 176.396 175.800 -0.323 0.000 1.106 22 F CA -0.012 57.909 58.000 -0.132 0.000 1.163 22 F CB 1.750 40.703 39.000 -0.080 0.000 1.129 22 F HN 0.397 nan 8.300 nan 0.000 0.516 23 S N 4.687 120.094 115.700 -0.489 0.000 2.509 23 S HA 0.422 4.894 4.470 0.004 0.000 0.297 23 S C -2.004 172.333 174.600 -0.439 0.000 1.118 23 S CA -1.626 56.010 58.200 -0.939 0.000 1.074 23 S CB 1.895 63.936 63.200 -1.931 0.000 1.038 23 S HN 0.292 nan 8.310 nan 0.000 0.498 24 P HA -0.191 nan 4.420 nan 0.000 0.218 24 P C 1.198 178.372 177.300 -0.210 0.000 1.152 24 P CA 1.472 64.460 63.100 -0.186 0.000 0.857 24 P CB 0.102 31.735 31.700 -0.111 0.000 0.787 25 E N -0.627 119.412 120.200 -0.267 0.000 2.072 25 E HA -0.187 4.166 4.350 0.004 0.000 0.191 25 E C 1.970 178.443 176.600 -0.212 0.000 0.985 25 E CA 1.015 57.288 56.400 -0.212 0.000 0.801 25 E CB -0.082 29.502 29.700 -0.194 0.000 0.750 25 E HN 0.306 nan 8.360 nan 0.000 0.452 26 E N -0.396 119.645 120.200 -0.266 0.000 2.021 26 E HA -0.129 4.224 4.350 0.004 0.000 0.189 26 E C 2.233 178.761 176.600 -0.120 0.000 0.980 26 E CA 1.075 57.367 56.400 -0.179 0.000 0.803 26 E CB 0.106 29.691 29.700 -0.192 0.000 0.766 26 E HN 0.086 nan 8.360 nan 0.000 0.449 27 V N 1.575 121.430 119.914 -0.099 0.000 2.231 27 V HA -0.331 3.791 4.120 0.004 0.000 0.250 27 V C 2.443 178.400 176.094 -0.227 0.000 1.058 27 V CA 2.196 64.418 62.300 -0.130 0.000 1.022 27 V CB -0.623 31.103 31.823 -0.162 0.000 0.640 27 V HN 0.248 nan 8.190 nan 0.000 0.445 28 R N 0.026 120.340 120.500 -0.311 0.000 2.241 28 R HA -0.089 4.254 4.340 0.004 0.000 0.224 28 R C 1.787 177.860 176.300 -0.378 0.000 1.101 28 R CA 1.297 57.071 56.100 -0.543 0.000 0.995 28 R CB -0.202 29.877 30.300 -0.368 0.000 0.870 28 R HN 0.562 nan 8.270 nan 0.000 0.463 29 A N -0.601 122.092 122.820 -0.211 0.000 2.390 29 A HA 0.163 4.485 4.320 0.004 0.000 0.232 29 A C 1.422 178.959 177.584 -0.077 0.000 1.233 29 A CA -0.244 51.718 52.037 -0.125 0.000 0.907 29 A CB 0.211 19.151 19.000 -0.100 0.000 0.967 29 A HN 0.328 nan 8.150 nan 0.000 0.512 30 I N -0.368 120.159 120.570 -0.073 0.000 3.708 30 I HA 0.073 4.246 4.170 0.004 0.000 0.302 30 I C 0.835 176.972 176.117 0.033 0.000 1.255 30 I CA 0.734 62.025 61.300 -0.016 0.000 1.362 30 I CB 0.451 38.448 38.000 -0.005 0.000 1.100 30 I HN 0.357 nan 8.210 nan 0.000 0.434 31 S N -0.635 115.104 115.700 0.064 0.000 2.648 31 S HA 0.394 4.867 4.470 0.004 0.000 0.305 31 S C 0.249 174.928 174.600 0.131 0.000 1.094 31 S CA -0.359 57.928 58.200 0.146 0.000 0.983 31 S CB 1.766 65.114 63.200 0.245 0.000 1.101 31 S HN 0.007 nan 8.310 nan 0.000 0.514 32 V N -1.924 118.041 119.914 0.085 0.000 3.249 32 V HA 0.708 4.830 4.120 0.004 0.000 0.338 32 V C 0.400 176.503 176.094 0.016 0.000 1.363 32 V CA -0.023 62.292 62.300 0.025 0.000 1.205 32 V CB -1.097 30.689 31.823 -0.061 0.000 1.164 32 V HN 1.029 nan 8.190 nan 0.000 0.458 33 A N 0.125 122.965 122.820 0.033 0.000 2.356 33 A HA 0.734 5.056 4.320 0.004 0.000 0.310 33 A C 0.639 178.061 177.584 -0.269 0.000 1.075 33 A CA -0.666 51.322 52.037 -0.082 0.000 0.746 33 A CB 1.754 20.703 19.000 -0.086 0.000 1.221 33 A HN 0.278 nan 8.150 nan 0.000 0.443 34 K N 1.522 121.808 120.400 -0.191 0.000 2.076 34 K HA 0.163 4.486 4.320 0.004 0.000 0.204 34 K C -0.113 176.342 176.600 -0.242 0.000 1.051 34 K CA 0.813 56.975 56.287 -0.208 0.000 0.949 34 K CB -0.052 32.412 32.500 -0.060 0.000 0.726 34 K HN 0.617 nan 8.250 nan 0.000 0.443 35 I N 1.575 122.056 120.570 -0.147 0.000 6.431 35 I HA -0.292 3.880 4.170 0.004 0.000 0.126 35 I C 0.580 176.679 176.117 -0.030 0.000 1.825 35 I CA 0.563 61.804 61.300 -0.099 0.000 2.040 35 I CB -1.890 36.017 38.000 -0.156 0.000 3.487 35 I HN 0.288 nan 8.210 nan 0.000 0.170 36 R N 0.536 121.078 120.500 0.070 0.000 2.064 36 R HA 0.174 4.517 4.340 0.004 0.000 0.221 36 R C 0.439 176.791 176.300 0.087 0.000 1.136 36 R CA 1.088 57.258 56.100 0.118 0.000 0.980 36 R CB 0.198 30.672 30.300 0.290 0.000 0.876 36 R HN 0.152 nan 8.270 nan 0.000 0.437 37 F N 1.289 121.203 119.950 -0.060 0.000 2.408 37 F HA 0.275 4.805 4.527 0.004 0.000 0.344 37 F C -1.555 174.206 175.800 -0.064 0.000 1.112 37 F CA -2.936 55.032 58.000 -0.054 0.000 1.096 37 F CB 1.256 40.227 39.000 -0.048 0.000 1.129 37 F HN -0.076 nan 8.300 nan 0.000 0.486 38 P HA 0.052 nan 4.420 nan 0.000 0.255 38 P C -0.226 177.079 177.300 0.008 0.000 1.248 38 P CA 0.317 63.416 63.100 -0.002 0.000 0.807 38 P CB 0.217 31.893 31.700 -0.040 0.000 1.150 39 E N -0.753 119.484 120.200 0.063 0.000 2.416 39 E HA 0.123 4.476 4.350 0.004 0.000 0.254 39 E C 1.283 177.875 176.600 -0.013 0.000 1.241 39 E CA 0.612 57.033 56.400 0.035 0.000 0.969 39 E CB 0.040 29.788 29.700 0.080 0.000 0.999 39 E HN -0.112 nan 8.360 nan 0.000 0.481 40 T N -0.516 114.018 114.554 -0.035 0.000 3.021 40 T HA 0.226 4.578 4.350 0.004 0.000 0.245 40 T C 0.271 174.938 174.700 -0.054 0.000 1.028 40 T CA 0.477 62.541 62.100 -0.061 0.000 1.139 40 T CB 0.171 68.991 68.868 -0.080 0.000 0.884 40 T HN 0.274 nan 8.240 nan 0.000 0.457 41 M N -0.632 118.942 119.600 -0.043 0.000 3.740 41 M HA 0.381 4.863 4.480 0.004 0.000 0.402 41 M C -2.358 173.925 176.300 -0.028 0.000 1.729 41 M CA -0.764 54.518 55.300 -0.030 0.000 0.897 41 M CB 1.596 34.190 32.600 -0.011 0.000 2.621 41 M HN -0.195 nan 8.290 nan 0.000 0.501 42 D N 0.581 120.971 120.400 -0.018 0.000 2.457 42 D HA 0.409 5.051 4.640 0.004 0.000 0.240 42 D C -1.403 174.888 176.300 -0.017 0.000 1.041 42 D CA -0.061 53.929 54.000 -0.018 0.000 0.861 42 D CB 1.730 42.524 40.800 -0.009 0.000 1.394 42 D HN 0.590 nan 8.370 nan 0.000 0.473 43 E N 0.971 121.157 120.200 -0.023 0.000 2.490 43 E HA 0.217 4.569 4.350 0.004 0.000 0.232 43 E C -0.744 175.847 176.600 -0.014 0.000 1.091 43 E CA -0.294 56.092 56.400 -0.023 0.000 1.050 43 E CB 0.275 29.951 29.700 -0.040 0.000 1.342 43 E HN 0.380 nan 8.360 nan 0.000 0.454 44 T N 2.173 116.724 114.554 -0.005 0.000 3.501 44 T HA -0.263 4.090 4.350 0.004 0.000 0.411 44 T C 0.017 174.714 174.700 -0.004 0.000 0.766 44 T CA 0.676 62.775 62.100 -0.001 0.000 2.129 44 T CB -1.416 67.452 68.868 0.000 0.000 1.711 44 T HN 0.771 nan 8.240 nan 0.000 0.712 45 Q N -1.430 118.368 119.800 -0.004 0.000 2.459 45 Q HA -0.187 4.155 4.340 0.004 0.000 0.322 45 Q C 0.454 176.449 176.000 -0.009 0.000 1.427 45 Q CA 1.131 56.932 55.803 -0.005 0.000 0.861 45 Q CB -1.801 26.936 28.738 -0.002 0.000 1.137 45 Q HN 0.865 nan 8.270 nan 0.000 0.394 46 T N -2.330 112.217 114.554 -0.013 0.000 3.403 46 T HA 0.269 4.621 4.350 0.004 0.000 0.308 46 T C 0.542 175.230 174.700 -0.021 0.000 0.952 46 T CA -0.081 62.009 62.100 -0.018 0.000 0.970 46 T CB 0.490 69.345 68.868 -0.021 0.000 1.189 46 T HN 0.368 nan 8.240 nan 0.000 0.528 47 R N 1.065 121.553 120.500 -0.019 0.000 3.793 47 R HA -0.279 4.064 4.340 0.004 0.000 0.318 47 R C 1.261 177.544 176.300 -0.028 0.000 0.729 47 R CA 1.930 58.017 56.100 -0.022 0.000 1.731 47 R CB -2.299 27.988 30.300 -0.022 0.000 1.879 47 R HN 0.908 nan 8.270 nan 0.000 0.498 48 A N -1.105 121.695 122.820 -0.033 0.000 5.778 48 A HA -0.375 3.947 4.320 0.004 0.000 0.313 48 A C 1.040 178.597 177.584 -0.046 0.000 1.849 48 A CA 2.229 54.240 52.037 -0.043 0.000 0.746 48 A CB -0.869 18.102 19.000 -0.048 0.000 1.308 48 A HN 0.275 nan 8.150 nan 0.000 0.397 49 K N -1.967 118.399 120.400 -0.056 0.000 2.524 49 K HA 0.459 4.781 4.320 0.004 0.000 0.210 49 K C 1.062 177.627 176.600 -0.057 0.000 1.340 49 K CA 0.768 57.022 56.287 -0.055 0.000 0.880 49 K CB -0.188 32.276 32.500 -0.059 0.000 1.616 49 K HN 0.777 nan 8.250 nan 0.000 0.457 50 I N 0.706 121.236 120.570 -0.067 0.000 2.793 50 I HA 0.313 4.486 4.170 0.004 0.000 0.313 50 I C 0.482 176.533 176.117 -0.111 0.000 0.998 50 I CA -0.415 60.830 61.300 -0.092 0.000 1.140 50 I CB 1.985 39.925 38.000 -0.101 0.000 1.327 50 I HN 0.324 nan 8.210 nan 0.000 0.491 51 G N 3.283 111.995 108.800 -0.147 0.000 3.262 51 G HA2 0.144 4.106 3.960 0.004 0.000 0.222 51 G HA3 0.144 4.106 3.960 0.004 0.000 0.222 51 G C 0.670 175.448 174.900 -0.203 0.000 1.269 51 G CA 0.478 45.486 45.100 -0.154 0.000 1.032 51 G HN 0.899 nan 8.290 nan 0.000 0.502 52 G N -0.320 108.364 108.800 -0.192 0.000 2.907 52 G HA2 0.150 4.112 3.960 0.004 0.000 0.200 52 G HA3 0.150 4.112 3.960 0.004 0.000 0.200 52 G C 1.215 176.122 174.900 0.011 0.000 1.101 52 G CA 0.320 45.336 45.100 -0.139 0.000 0.806 52 G HN 0.341 nan 8.290 nan 0.000 0.640 53 L N 0.858 122.077 121.223 -0.008 0.000 2.121 53 L HA 0.307 4.650 4.340 0.004 0.000 0.200 53 L C -0.073 176.764 176.870 -0.055 0.000 1.132 53 L CA 0.608 55.436 54.840 -0.021 0.000 0.782 53 L CB 0.108 42.147 42.059 -0.033 0.000 0.940 53 L HN 0.343 nan 8.230 nan 0.000 0.458 54 N N -0.546 118.117 118.700 -0.063 0.000 2.626 54 N HA 0.270 5.012 4.740 0.004 0.000 0.249 54 N C -0.838 174.637 175.510 -0.058 0.000 1.021 54 N CA -0.390 52.620 53.050 -0.067 0.000 0.886 54 N CB 1.588 40.028 38.487 -0.079 0.000 1.149 54 N HN 0.286 nan 8.380 nan 0.000 0.517 55 D N 0.378 120.746 120.400 -0.053 0.000 1.697 55 D HA 0.068 4.710 4.640 0.004 0.000 0.521 55 D C -2.409 173.864 176.300 -0.045 0.000 1.190 55 D CA 0.415 54.387 54.000 -0.046 0.000 1.081 55 D CB -0.770 39.995 40.800 -0.058 0.000 2.624 55 D HN 0.258 nan 8.370 nan 0.000 0.313 56 P HA 0.002 nan 4.420 nan 0.000 0.198 56 P C -0.203 177.068 177.300 -0.049 0.000 0.910 56 P CA 0.966 64.032 63.100 -0.056 0.000 1.202 56 P CB -0.081 31.582 31.700 -0.061 0.000 1.231 57 R N -0.436 120.037 120.500 -0.046 0.000 3.840 57 R HA -0.165 4.178 4.340 0.004 0.000 0.464 57 R C 0.109 176.378 176.300 -0.052 0.000 0.986 57 R CA 0.866 56.931 56.100 -0.058 0.000 1.305 57 R CB -2.044 28.210 30.300 -0.076 0.000 1.950 57 R HN 0.486 nan 8.270 nan 0.000 0.526 58 L N -0.276 120.939 121.223 -0.012 0.000 2.529 58 L HA 0.649 4.991 4.340 0.004 0.000 0.258 58 L C -0.847 176.037 176.870 0.024 0.000 1.032 58 L CA 0.237 55.109 54.840 0.053 0.000 0.899 58 L CB 1.330 43.417 42.059 0.048 0.000 1.174 58 L HN 0.275 nan 8.230 nan 0.000 0.458 59 G N 1.827 110.646 108.800 0.031 0.000 2.761 59 G HA2 0.554 4.516 3.960 0.004 0.000 0.296 59 G HA3 0.554 4.516 3.960 0.004 0.000 0.296 59 G C -1.407 173.491 174.900 -0.004 0.000 1.416 59 G CA -0.248 44.850 45.100 -0.004 0.000 1.105 59 G HN 0.605 nan 8.290 nan 0.000 0.565 60 S N 1.685 117.374 115.700 -0.019 0.000 2.461 60 S HA 0.438 4.910 4.470 0.004 0.000 0.245 60 S C -0.026 174.556 174.600 -0.030 0.000 1.039 60 S CA -0.727 57.459 58.200 -0.022 0.000 1.077 60 S CB 0.723 63.909 63.200 -0.023 0.000 1.171 60 S HN 0.473 nan 8.310 nan 0.000 0.433 61 I N 0.720 121.273 120.570 -0.029 0.000 4.607 61 I HA 0.293 4.465 4.170 0.004 0.000 0.324 61 I C 0.211 176.311 176.117 -0.028 0.000 1.279 61 I CA 0.310 61.592 61.300 -0.030 0.000 1.286 61 I CB 0.204 38.184 38.000 -0.033 0.000 1.265 61 I HN 0.662 nan 8.210 nan 0.000 0.446 62 D N 1.587 121.971 120.400 -0.026 0.000 2.861 62 D HA 0.259 4.902 4.640 0.004 0.000 0.357 62 D C 0.094 176.380 176.300 -0.023 0.000 1.250 62 D CA -0.417 53.568 54.000 -0.026 0.000 0.802 62 D CB 0.149 40.933 40.800 -0.027 0.000 1.141 62 D HN -0.161 nan 8.370 nan 0.000 0.489 63 R N 0.290 120.777 120.500 -0.021 0.000 3.405 63 R HA -0.228 4.114 4.340 0.004 0.000 0.258 63 R C -0.822 175.469 176.300 -0.015 0.000 1.030 63 R CA 0.570 56.660 56.100 -0.018 0.000 0.691 63 R CB -2.394 27.896 30.300 -0.017 0.000 1.093 63 R HN 0.434 nan 8.270 nan 0.000 0.448 64 N N 0.837 119.528 118.700 -0.015 0.000 2.462 64 N HA 0.079 4.821 4.740 0.004 0.000 0.242 64 N C 0.623 176.130 175.510 -0.005 0.000 1.010 64 N CA -0.662 52.381 53.050 -0.012 0.000 0.939 64 N CB 0.692 39.169 38.487 -0.015 0.000 1.127 64 N HN -0.053 nan 8.380 nan 0.000 0.509 65 L N 1.908 123.130 121.223 -0.001 0.000 2.633 65 L HA -0.073 4.270 4.340 0.004 0.000 0.235 65 L C 1.519 178.399 176.870 0.017 0.000 1.163 65 L CA 1.108 55.952 54.840 0.008 0.000 0.859 65 L CB -1.079 40.984 42.059 0.007 0.000 0.973 65 L HN 0.494 nan 8.230 nan 0.000 0.451 66 K N 1.119 121.525 120.400 0.009 0.000 2.665 66 K HA -0.026 4.297 4.320 0.004 0.000 0.196 66 K C 0.653 177.265 176.600 0.019 0.000 1.021 66 K CA 0.072 56.363 56.287 0.007 0.000 1.066 66 K CB -0.782 31.715 32.500 -0.005 0.000 0.849 66 K HN 0.525 nan 8.250 nan 0.000 0.500 67 C N 1.649 120.979 119.300 0.050 0.000 2.423 67 C HA 0.219 4.681 4.460 0.004 0.000 0.378 67 C C 0.720 175.755 174.990 0.075 0.000 1.068 67 C CA -1.140 57.940 59.018 0.102 0.000 1.371 67 C CB -1.566 26.297 27.740 0.205 0.000 1.856 67 C HN 0.675 nan 8.230 nan 0.000 0.523 68 Q N 1.327 121.124 119.800 -0.005 0.000 2.437 68 Q HA -0.252 4.091 4.340 0.004 0.000 0.274 68 Q C 0.323 176.315 176.000 -0.014 0.000 1.165 68 Q CA 1.442 57.218 55.803 -0.046 0.000 0.925 68 Q CB -3.152 25.501 28.738 -0.142 0.000 1.327 68 Q HN 1.449 nan 8.270 nan 0.000 0.505 69 T N -4.113 110.447 114.554 0.010 0.000 4.039 69 T HA -0.340 4.013 4.350 0.004 0.000 0.352 69 T C 1.011 175.733 174.700 0.037 0.000 0.756 69 T CA 0.760 62.870 62.100 0.017 0.000 1.923 69 T CB -2.185 66.686 68.868 0.005 0.000 1.848 69 T HN 0.758 nan 8.240 nan 0.000 0.835 70 C N 0.397 119.740 119.300 0.072 0.000 2.432 70 C HA 0.003 4.465 4.460 0.004 0.000 0.280 70 C C 1.887 176.912 174.990 0.058 0.000 1.353 70 C CA 1.339 60.419 59.018 0.103 0.000 1.766 70 C CB -1.118 26.736 27.740 0.191 0.000 1.924 70 C HN 0.894 nan 8.230 nan 0.000 0.509 71 Q N -1.619 118.205 119.800 0.041 0.000 0.903 71 Q HA -0.255 4.087 4.340 0.004 0.000 0.328 71 Q C 0.758 176.769 176.000 0.019 0.000 1.052 71 Q CA 1.237 57.055 55.803 0.024 0.000 0.518 71 Q CB -0.824 27.927 28.738 0.021 0.000 5.039 71 Q HN 0.539 nan 8.270 nan 0.000 0.421 72 E N -2.153 118.055 120.200 0.013 0.000 4.052 72 E HA -0.330 4.023 4.350 0.004 0.000 0.197 72 E C 0.535 177.135 176.600 0.000 0.000 1.231 72 E CA 2.289 58.693 56.400 0.007 0.000 2.254 72 E CB -1.745 27.959 29.700 0.006 0.000 1.844 72 E HN 1.302 nan 8.360 nan 0.000 0.340 73 G N -0.310 108.487 108.800 -0.005 0.000 2.351 73 G HA2 0.325 4.287 3.960 0.004 0.000 0.279 73 G HA3 0.325 4.287 3.960 0.004 0.000 0.279 73 G C 0.325 175.212 174.900 -0.022 0.000 1.297 73 G CA 0.364 45.458 45.100 -0.011 0.000 0.886 73 G HN 0.395 nan 8.290 nan 0.000 0.493 74 M N -0.076 119.509 119.600 -0.026 0.000 2.561 74 M HA 0.347 4.829 4.480 0.004 0.000 0.238 74 M C 1.233 177.511 176.300 -0.038 0.000 1.131 74 M CA 1.509 56.787 55.300 -0.037 0.000 1.046 74 M CB -0.067 32.513 32.600 -0.034 0.000 1.532 74 M HN 0.336 nan 8.290 nan 0.000 0.497 75 N N 0.580 119.263 118.700 -0.028 0.000 2.422 75 N HA -0.068 4.675 4.740 0.004 0.000 0.181 75 N C 1.417 176.911 175.510 -0.026 0.000 1.080 75 N CA 0.894 53.930 53.050 -0.024 0.000 0.893 75 N CB 0.335 38.812 38.487 -0.016 0.000 0.973 75 N HN 0.549 nan 8.380 nan 0.000 0.456 76 E N -0.910 119.271 120.200 -0.032 0.000 2.367 76 E HA 0.192 4.544 4.350 0.004 0.000 0.204 76 E C -0.407 176.159 176.600 -0.057 0.000 0.840 76 E CA -0.139 56.242 56.400 -0.033 0.000 1.051 76 E CB -0.045 29.644 29.700 -0.018 0.000 1.051 76 E HN 0.259 nan 8.360 nan 0.000 0.509 77 C N 3.702 122.949 119.300 -0.088 0.000 2.551 77 C HA 0.050 4.513 4.460 0.004 0.000 0.400 77 C C -1.003 173.867 174.990 -0.199 0.000 1.460 77 C CA -1.334 57.573 59.018 -0.184 0.000 1.447 77 C CB -0.274 27.318 27.740 -0.247 0.000 2.401 77 C HN 0.360 nan 8.230 nan 0.000 0.623 78 P HA 0.099 nan 4.420 nan 0.000 0.208 78 P C 0.410 177.664 177.300 -0.077 0.000 1.180 78 P CA 1.899 64.952 63.100 -0.077 0.000 0.935 78 P CB -0.014 31.677 31.700 -0.016 0.000 0.785 79 G N -1.754 107.001 108.800 -0.075 0.000 2.505 79 G HA2 0.285 4.247 3.960 0.004 0.000 0.292 79 G HA3 0.285 4.247 3.960 0.004 0.000 0.292 79 G C -1.731 173.240 174.900 0.120 0.000 1.332 79 G CA -0.317 44.778 45.100 -0.009 0.000 1.286 79 G HN 0.039 nan 8.290 nan 0.000 0.606 80 H N 2.310 121.394 119.070 0.024 0.000 2.741 80 H HA 0.406 4.965 4.556 0.004 0.000 0.282 80 H C -0.398 174.930 175.328 0.000 0.000 1.122 80 H CA -0.999 55.071 56.048 0.038 0.000 1.293 80 H CB 0.616 30.378 29.762 0.000 0.000 1.415 80 H HN 0.353 nan 8.280 nan 0.000 0.472 81 F N 0.912 120.937 119.950 0.124 0.000 2.382 81 F HA 0.463 4.993 4.527 0.004 0.000 0.331 81 F C 1.333 177.158 175.800 0.042 0.000 1.121 81 F CA 0.427 58.461 58.000 0.057 0.000 1.183 81 F CB 1.304 40.320 39.000 0.027 0.000 1.207 81 F HN 0.522 nan 8.300 nan 0.000 0.555 82 G N 0.295 109.210 108.800 0.192 0.000 3.013 82 G HA2 0.612 4.574 3.960 0.004 0.000 0.278 82 G HA3 0.612 4.574 3.960 0.004 0.000 0.278 82 G C -2.057 172.965 174.900 0.205 0.000 1.353 82 G CA -0.663 44.509 45.100 0.120 0.000 1.043 82 G HN 0.830 nan 8.290 nan 0.000 0.523 83 H N -2.031 117.065 119.070 0.043 0.000 2.996 83 H HA 0.666 5.224 4.556 0.004 0.000 0.368 83 H C -1.620 173.710 175.328 0.003 0.000 1.185 83 H CA -1.090 54.971 56.048 0.021 0.000 1.160 83 H CB 1.923 31.685 29.762 -0.001 0.000 1.820 83 H HN 0.525 nan 8.280 nan 0.000 0.547 84 I N 2.763 123.364 120.570 0.051 0.000 2.362 84 I HA 0.230 4.402 4.170 0.004 0.000 0.289 84 I C -0.865 175.294 176.117 0.069 0.000 0.994 84 I CA -0.588 60.707 61.300 -0.009 0.000 1.158 84 I CB 1.267 39.246 38.000 -0.035 0.000 1.315 84 I HN 0.809 nan 8.210 nan 0.000 0.451 85 D N 8.725 129.161 120.400 0.061 0.000 2.342 85 D HA 0.209 4.851 4.640 0.004 0.000 0.260 85 D C 0.056 176.381 176.300 0.042 0.000 1.278 85 D CA 0.159 54.206 54.000 0.079 0.000 0.910 85 D CB 1.054 41.898 40.800 0.074 0.000 1.079 85 D HN 0.430 nan 8.370 nan 0.000 0.496 86 L N 1.806 123.054 121.223 0.043 0.000 2.371 86 L HA 0.236 4.578 4.340 0.004 0.000 0.272 86 L C 1.591 178.479 176.870 0.029 0.000 1.124 86 L CA -0.521 54.338 54.840 0.031 0.000 0.816 86 L CB 1.434 43.512 42.059 0.031 0.000 1.129 86 L HN 0.370 nan 8.230 nan 0.000 0.448 87 A N 4.076 126.910 122.820 0.025 0.000 1.825 87 A HA -0.004 4.318 4.320 0.004 0.000 0.214 87 A C 0.837 178.427 177.584 0.011 0.000 1.206 87 A CA 1.144 53.194 52.037 0.021 0.000 0.609 87 A CB -0.013 18.998 19.000 0.018 0.000 0.851 87 A HN 0.677 nan 8.150 nan 0.000 0.445 88 K N 0.030 120.434 120.400 0.007 0.000 2.207 88 K HA 0.463 4.786 4.320 0.004 0.000 0.255 88 K C -2.854 173.741 176.600 -0.009 0.000 0.941 88 K CA -2.296 53.989 56.287 -0.003 0.000 0.825 88 K CB 1.398 33.893 32.500 -0.008 0.000 1.119 88 K HN 0.037 nan 8.250 nan 0.000 0.430 89 P HA -0.100 nan 4.420 nan 0.000 0.263 89 P C -1.038 176.195 177.300 -0.111 0.000 1.175 89 P CA -0.143 62.921 63.100 -0.061 0.000 0.761 89 P CB 0.409 32.059 31.700 -0.082 0.000 0.794 90 V N 0.288 120.144 119.914 -0.097 0.000 2.962 90 V HA 0.550 4.672 4.120 0.004 0.000 0.313 90 V C -0.038 176.001 176.094 -0.091 0.000 1.099 90 V CA -1.055 61.195 62.300 -0.083 0.000 0.971 90 V CB 1.304 33.159 31.823 0.053 0.000 1.028 90 V HN 0.215 nan 8.190 nan 0.000 0.430 91 F N 0.714 120.721 119.950 0.096 0.000 2.331 91 F HA 0.536 5.066 4.527 0.004 0.000 0.293 91 F C 0.544 176.433 175.800 0.148 0.000 1.277 91 F CA 0.303 58.373 58.000 0.117 0.000 1.204 91 F CB 0.238 39.298 39.000 0.099 0.000 1.374 91 F HN 0.843 nan 8.300 nan 0.000 0.520 92 H N -0.756 118.491 119.070 0.295 0.000 2.689 92 H HA 0.360 4.919 4.556 0.004 0.000 0.346 92 H C 0.439 175.763 175.328 -0.007 0.000 1.037 92 H CA -0.817 55.313 56.048 0.137 0.000 1.234 92 H CB 1.457 31.352 29.762 0.222 0.000 1.572 92 H HN 0.367 nan 8.280 nan 0.000 0.524 93 V N 2.329 122.134 119.914 -0.180 0.000 2.282 93 V HA -0.136 3.987 4.120 0.004 0.000 0.249 93 V C 2.017 178.004 176.094 -0.179 0.000 1.057 93 V CA 2.073 64.292 62.300 -0.136 0.000 1.032 93 V CB -1.021 30.703 31.823 -0.166 0.000 0.645 93 V HN 0.837 nan 8.190 nan 0.000 0.447 94 G N -1.849 106.678 108.800 -0.456 0.000 2.848 94 G HA2 0.109 4.072 3.960 0.004 0.000 0.208 94 G HA3 0.109 4.072 3.960 0.004 0.000 0.208 94 G C 1.043 175.493 174.900 -0.749 0.000 1.152 94 G CA 0.276 44.856 45.100 -0.865 0.000 0.789 94 G HN 0.597 nan 8.290 nan 0.000 0.531 95 F N -0.725 119.135 119.950 -0.151 0.000 2.728 95 F HA 0.317 4.846 4.527 0.004 0.000 0.314 95 F C 2.017 177.791 175.800 -0.044 0.000 1.094 95 F CA -0.781 57.139 58.000 -0.133 0.000 1.217 95 F CB 0.482 39.370 39.000 -0.186 0.000 1.056 95 F HN -0.050 nan 8.300 nan 0.000 0.577 96 I N 1.179 121.814 120.570 0.108 0.000 2.113 96 I HA -0.365 3.808 4.170 0.004 0.000 0.242 96 I C 2.771 178.905 176.117 0.029 0.000 1.064 96 I CA 1.842 63.164 61.300 0.036 0.000 1.320 96 I CB -1.380 36.598 38.000 -0.037 0.000 1.028 96 I HN 0.134 nan 8.210 nan 0.000 0.406 97 A N 0.611 123.440 122.820 0.015 0.000 1.869 97 A HA -0.274 4.048 4.320 0.004 0.000 0.218 97 A C 2.393 179.989 177.584 0.019 0.000 1.203 97 A CA 2.125 54.163 52.037 0.002 0.000 0.638 97 A CB -0.644 18.347 19.000 -0.015 0.000 0.831 97 A HN 0.385 nan 8.150 nan 0.000 0.450 98 K N -0.904 119.524 120.400 0.047 0.000 2.057 98 K HA -0.010 4.312 4.320 0.004 0.000 0.206 98 K C 1.922 178.602 176.600 0.133 0.000 1.050 98 K CA 1.317 57.630 56.287 0.044 0.000 0.935 98 K CB -0.371 32.114 32.500 -0.025 0.000 0.715 98 K HN 0.561 nan 8.250 nan 0.000 0.439 99 I N 1.524 122.183 120.570 0.148 0.000 2.264 99 I HA -0.335 3.837 4.170 0.004 0.000 0.248 99 I C 2.581 178.862 176.117 0.272 0.000 1.111 99 I CA 1.319 62.756 61.300 0.228 0.000 1.382 99 I CB -0.181 37.943 38.000 0.206 0.000 1.060 99 I HN 0.175 nan 8.210 nan 0.000 0.418 100 K N 1.413 121.912 120.400 0.166 0.000 2.002 100 K HA -0.215 4.107 4.320 0.004 0.000 0.209 100 K C 2.117 178.847 176.600 0.216 0.000 1.048 100 K CA 1.572 57.951 56.287 0.153 0.000 0.930 100 K CB -0.024 32.525 32.500 0.081 0.000 0.714 100 K HN 0.151 nan 8.250 nan 0.000 0.438 101 K N 0.150 120.646 120.400 0.161 0.000 2.147 101 K HA -0.104 4.219 4.320 0.004 0.000 0.205 101 K C 1.992 178.860 176.600 0.448 0.000 1.049 101 K CA 1.273 57.640 56.287 0.132 0.000 0.936 101 K CB 0.042 32.419 32.500 -0.206 0.000 0.722 101 K HN 0.046 nan 8.250 nan 0.000 0.446 102 V N 0.536 120.734 119.914 0.472 0.000 2.407 102 V HA -0.221 3.901 4.120 0.004 0.000 0.245 102 V C 2.260 178.567 176.094 0.355 0.000 1.041 102 V CA 1.242 63.854 62.300 0.520 0.000 1.040 102 V CB -0.195 31.984 31.823 0.594 0.000 0.671 102 V HN 0.405 nan 8.190 nan 0.000 0.455 103 C N 0.172 119.664 119.300 0.320 0.000 2.419 103 C HA -0.126 4.337 4.460 0.004 0.000 0.281 103 C C 2.165 177.246 174.990 0.151 0.000 1.336 103 C CA 0.735 59.856 59.018 0.171 0.000 1.770 103 C CB -1.164 26.691 27.740 0.191 0.000 1.929 103 C HN 0.588 nan 8.230 nan 0.000 0.509 104 E N -1.447 118.889 120.200 0.228 0.000 2.438 104 E HA -0.036 4.316 4.350 0.004 0.000 0.192 104 E C 1.240 177.930 176.600 0.150 0.000 1.110 104 E CA -0.001 56.516 56.400 0.196 0.000 0.893 104 E CB -0.012 29.859 29.700 0.285 0.000 0.990 104 E HN 0.667 nan 8.360 nan 0.000 0.490 105 C N -0.455 118.934 119.300 0.147 0.000 4.154 105 C HA 0.255 4.718 4.460 0.004 0.000 0.359 105 C C -0.183 174.846 174.990 0.065 0.000 1.702 105 C CA -0.301 58.784 59.018 0.113 0.000 1.900 105 C CB 0.224 28.083 27.740 0.198 0.000 3.051 105 C HN -0.001 nan 8.230 nan 0.000 0.670 106 V N 1.264 121.202 119.914 0.039 0.000 2.735 106 V HA 0.421 4.543 4.120 0.004 0.000 0.310 106 V C 0.420 176.506 176.094 -0.013 0.000 1.061 106 V CA -0.712 61.578 62.300 -0.017 0.000 0.913 106 V CB 1.150 32.914 31.823 -0.097 0.000 1.005 106 V HN 0.416 nan 8.190 nan 0.000 0.428 107 C N 4.571 123.865 119.300 -0.009 0.000 2.705 107 C HA 0.306 4.768 4.460 0.004 0.000 0.348 107 C C 1.606 176.591 174.990 -0.009 0.000 1.386 107 C CA 0.131 59.161 59.018 0.019 0.000 2.361 107 C CB 0.554 28.309 27.740 0.025 0.000 2.486 107 C HN 0.926 nan 8.230 nan 0.000 0.728 108 M N 0.711 120.321 119.600 0.016 0.000 2.718 108 M HA 0.172 4.654 4.480 0.004 0.000 0.259 108 M C 1.844 178.024 176.300 -0.200 0.000 1.240 108 M CA 1.529 56.771 55.300 -0.097 0.000 1.210 108 M CB -0.750 31.790 32.600 -0.099 0.000 1.281 108 M HN 0.711 nan 8.290 nan 0.000 0.515 109 H N -1.472 117.580 119.070 -0.031 0.000 2.533 109 H HA 0.199 4.758 4.556 0.004 0.000 0.271 109 H C 1.281 176.575 175.328 -0.057 0.000 1.000 109 H CA 0.994 57.011 56.048 -0.051 0.000 1.149 109 H CB 0.582 30.303 29.762 -0.068 0.000 1.375 109 H HN 0.561 nan 8.280 nan 0.000 0.582 110 C N -3.472 115.842 119.300 0.023 0.000 4.160 110 C HA 0.485 4.948 4.460 0.004 0.000 0.545 110 C C 1.342 176.311 174.990 -0.034 0.000 1.470 110 C CA 0.318 59.328 59.018 -0.014 0.000 2.412 110 C CB 0.117 27.854 27.740 -0.005 0.000 3.601 110 C HN 0.468 nan 8.230 nan 0.000 0.589 111 G N 2.146 110.921 108.800 -0.041 0.000 2.502 111 G HA2 -0.063 3.900 3.960 0.004 0.000 0.273 111 G HA3 -0.063 3.900 3.960 0.004 0.000 0.273 111 G C -0.640 174.221 174.900 -0.065 0.000 1.021 111 G CA 0.779 45.840 45.100 -0.065 0.000 1.333 111 G HN 1.052 nan 8.290 nan 0.000 0.508 112 K N 0.575 120.941 120.400 -0.057 0.000 2.555 112 K HA 0.577 4.899 4.320 0.004 0.000 0.279 112 K C 0.456 177.032 176.600 -0.040 0.000 0.986 112 K CA -1.209 55.044 56.287 -0.057 0.000 0.880 112 K CB 1.516 33.990 32.500 -0.043 0.000 1.474 112 K HN 0.229 nan 8.250 nan 0.000 0.433 113 L N 3.248 124.450 121.223 -0.036 0.000 2.499 113 L HA -0.042 4.300 4.340 0.004 0.000 0.281 113 L C 1.518 178.382 176.870 -0.010 0.000 1.234 113 L CA 0.189 55.022 54.840 -0.012 0.000 0.839 113 L CB 0.356 42.411 42.059 -0.006 0.000 1.104 113 L HN 0.644 nan 8.230 nan 0.000 0.500 114 L N 2.594 123.816 121.223 -0.003 0.000 2.131 114 L HA 0.049 4.391 4.340 0.004 0.000 0.206 114 L C 0.324 177.183 176.870 -0.018 0.000 1.087 114 L CA 0.724 55.559 54.840 -0.009 0.000 0.767 114 L CB -0.256 41.798 42.059 -0.008 0.000 0.917 114 L HN 0.435 nan 8.230 nan 0.000 0.441 115 L N -0.238 120.974 121.223 -0.018 0.000 2.334 115 L HA 0.406 4.748 4.340 0.004 0.000 0.276 115 L C -0.670 176.184 176.870 -0.026 0.000 1.014 115 L CA -0.595 54.229 54.840 -0.027 0.000 0.815 115 L CB 1.791 43.833 42.059 -0.028 0.000 1.268 115 L HN -0.024 nan 8.230 nan 0.000 0.428 116 D N 0.617 120.992 120.400 -0.042 0.000 2.636 116 D HA 0.258 4.900 4.640 0.004 0.000 0.236 116 D C 0.498 176.765 176.300 -0.055 0.000 1.176 116 D CA -0.580 53.396 54.000 -0.041 0.000 1.081 116 D CB 0.345 41.118 40.800 -0.044 0.000 1.213 116 D HN 0.460 nan 8.370 nan 0.000 0.633 117 E N -0.042 120.122 120.200 -0.059 0.000 3.580 117 E HA -0.306 4.046 4.350 0.004 0.000 0.462 117 E C 1.595 178.195 176.600 0.000 0.000 1.581 117 E CA 2.482 58.851 56.400 -0.051 0.000 1.318 117 E CB -0.640 28.970 29.700 -0.151 0.000 1.168 117 E HN 0.678 nan 8.360 nan 0.000 0.374 118 H N -0.942 118.129 119.070 0.002 0.000 2.545 118 H HA 0.297 4.855 4.556 0.004 0.000 0.283 118 H C 0.513 175.841 175.328 0.000 0.000 0.997 118 H CA 0.653 56.703 56.048 0.003 0.000 1.269 118 H CB -0.122 29.642 29.762 0.003 0.000 1.451 118 H HN 0.457 nan 8.280 nan 0.000 0.508 119 N N 2.235 120.743 118.700 -0.320 0.000 2.666 119 N HA -0.189 4.553 4.740 0.004 0.000 0.248 119 N C -1.080 174.428 175.510 -0.003 0.000 1.118 119 N CA 0.769 53.725 53.050 -0.156 0.000 0.722 119 N CB -0.423 38.000 38.487 -0.106 0.000 1.050 119 N HN 0.476 nan 8.380 nan 0.000 0.550 120 E N -0.321 119.956 120.200 0.129 0.000 7.315 120 E HA -0.219 4.133 4.350 0.004 0.000 0.457 120 E C 0.958 177.591 176.600 0.054 0.000 0.326 120 E CA 1.279 57.749 56.400 0.117 0.000 0.669 120 E CB -0.190 29.563 29.700 0.089 0.000 0.936 120 E HN 0.508 nan 8.360 nan 0.000 0.352 121 L N -0.335 120.917 121.223 0.047 0.000 3.851 121 L HA -0.283 4.059 4.340 0.004 0.000 0.438 121 L C 0.465 177.348 176.870 0.022 0.000 1.171 121 L CA 2.349 57.206 54.840 0.027 0.000 0.895 121 L CB -2.092 39.974 42.059 0.012 0.000 1.800 121 L HN 0.799 nan 8.230 nan 0.000 0.960 122 M N 0.814 120.435 119.600 0.035 0.000 2.060 122 M HA 0.228 4.711 4.480 0.004 0.000 0.273 122 M C 1.618 177.945 176.300 0.044 0.000 1.139 122 M CA 1.439 56.755 55.300 0.027 0.000 1.091 122 M CB 0.009 32.615 32.600 0.010 0.000 1.860 122 M HN 0.351 nan 8.290 nan 0.000 0.638 123 R N 0.274 120.815 120.500 0.070 0.000 2.328 123 R HA 0.082 4.424 4.340 0.004 0.000 0.207 123 R C 1.417 177.749 176.300 0.053 0.000 1.056 123 R CA 1.456 57.602 56.100 0.076 0.000 1.016 123 R CB -1.292 29.076 30.300 0.115 0.000 0.872 123 R HN 0.576 nan 8.270 nan 0.000 0.471 124 Q N -0.124 119.702 119.800 0.044 0.000 2.354 124 Q HA 0.221 4.564 4.340 0.004 0.000 0.203 124 Q C 1.759 177.781 176.000 0.037 0.000 0.933 124 Q CA 0.982 56.806 55.803 0.035 0.000 0.901 124 Q CB 0.279 29.034 28.738 0.028 0.000 1.007 124 Q HN 0.534 nan 8.270 nan 0.000 0.495 125 A N 0.589 123.433 122.820 0.040 0.000 1.920 125 A HA 0.067 4.389 4.320 0.004 0.000 0.209 125 A C 1.763 179.382 177.584 0.057 0.000 1.229 125 A CA 0.153 52.218 52.037 0.047 0.000 0.671 125 A CB -0.356 18.669 19.000 0.041 0.000 0.886 125 A HN 0.224 nan 8.150 nan 0.000 0.461 126 L N -0.369 120.887 121.223 0.056 0.000 2.642 126 L HA -0.071 4.272 4.340 0.004 0.000 0.236 126 L C 1.916 178.821 176.870 0.059 0.000 1.169 126 L CA 0.706 55.583 54.840 0.062 0.000 0.851 126 L CB -0.179 41.913 42.059 0.055 0.000 0.968 126 L HN 0.511 nan 8.230 nan 0.000 0.453 127 A N -1.032 121.820 122.820 0.054 0.000 2.548 127 A HA 0.254 4.577 4.320 0.004 0.000 0.236 127 A C 0.614 178.225 177.584 0.045 0.000 1.246 127 A CA -0.372 51.693 52.037 0.048 0.000 0.993 127 A CB 0.440 19.465 19.000 0.041 0.000 1.209 127 A HN 0.192 nan 8.150 nan 0.000 0.570 128 I N 1.281 121.880 120.570 0.049 0.000 2.575 128 I HA 0.184 4.357 4.170 0.004 0.000 0.285 128 I C 0.225 176.372 176.117 0.050 0.000 1.085 128 I CA -0.381 60.947 61.300 0.046 0.000 1.403 128 I CB 0.834 38.862 38.000 0.046 0.000 1.409 128 I HN 0.158 nan 8.210 nan 0.000 0.557 129 K N 4.586 125.011 120.400 0.043 0.000 2.143 129 K HA 0.118 4.440 4.320 0.004 0.000 0.239 129 K C -0.856 175.770 176.600 0.043 0.000 1.048 129 K CA -0.132 56.179 56.287 0.041 0.000 0.867 129 K CB 0.139 32.658 32.500 0.032 0.000 1.088 129 K HN 0.669 nan 8.250 nan 0.000 0.510 130 D N 0.087 120.509 120.400 0.037 0.000 4.669 130 D HA -0.104 4.538 4.640 0.004 0.000 0.240 130 D C 0.143 176.471 176.300 0.046 0.000 1.111 130 D CA 0.417 54.437 54.000 0.033 0.000 1.179 130 D CB -1.099 39.720 40.800 0.032 0.000 0.750 130 D HN 0.414 nan 8.370 nan 0.000 0.360 131 S N 1.149 116.869 115.700 0.034 0.000 2.440 131 S HA -0.238 4.234 4.470 0.004 0.000 0.240 131 S C 1.754 176.383 174.600 0.049 0.000 1.014 131 S CA 1.263 59.488 58.200 0.041 0.000 0.980 131 S CB 0.164 63.364 63.200 -0.000 0.000 0.775 131 S HN 0.472 nan 8.310 nan 0.000 0.499 132 K N 0.310 120.730 120.400 0.033 0.000 2.262 132 K HA 0.058 4.381 4.320 0.004 0.000 0.200 132 K C 1.418 178.082 176.600 0.105 0.000 1.049 132 K CA 0.750 57.061 56.287 0.040 0.000 0.979 132 K CB 0.119 32.618 32.500 -0.002 0.000 0.773 132 K HN 0.063 nan 8.250 nan 0.000 0.474 133 K N -0.020 120.437 120.400 0.095 0.000 2.308 133 K HA 0.101 4.424 4.320 0.004 0.000 0.197 133 K C 1.803 178.475 176.600 0.120 0.000 1.049 133 K CA 0.188 56.536 56.287 0.101 0.000 0.991 133 K CB 0.134 32.675 32.500 0.069 0.000 0.836 133 K HN -0.005 nan 8.250 nan 0.000 0.500 134 R N -0.072 120.506 120.500 0.130 0.000 2.097 134 R HA -0.146 4.196 4.340 0.004 0.000 0.236 134 R C 1.928 178.339 176.300 0.186 0.000 1.135 134 R CA 1.863 58.047 56.100 0.140 0.000 0.934 134 R CB -0.402 29.984 30.300 0.143 0.000 0.846 134 R HN 0.206 nan 8.270 nan 0.000 0.431 135 F N 0.884 120.885 119.950 0.085 0.000 2.216 135 F HA -0.085 4.445 4.527 0.004 0.000 0.300 135 F C 1.990 177.877 175.800 0.146 0.000 1.085 135 F CA 1.284 59.353 58.000 0.115 0.000 1.326 135 F CB -0.273 38.771 39.000 0.073 0.000 1.027 135 F HN 0.118 nan 8.300 nan 0.000 0.497 136 A N -0.288 122.643 122.820 0.186 0.000 2.125 136 A HA 0.057 4.379 4.320 0.004 0.000 0.219 136 A C 2.176 179.821 177.584 0.101 0.000 1.156 136 A CA 1.592 53.708 52.037 0.132 0.000 0.671 136 A CB -1.118 17.963 19.000 0.135 0.000 0.794 136 A HN 0.489 nan 8.150 nan 0.000 0.459 137 A N -0.301 122.556 122.820 0.062 0.000 1.944 137 A HA 0.274 4.596 4.320 0.004 0.000 0.209 137 A C 1.886 179.467 177.584 -0.005 0.000 1.328 137 A CA 0.642 52.702 52.037 0.038 0.000 0.693 137 A CB -0.501 18.520 19.000 0.036 0.000 0.994 137 A HN 0.320 nan 8.150 nan 0.000 0.485 138 I N -1.262 119.299 120.570 -0.016 0.000 2.121 138 I HA -0.379 3.793 4.170 0.004 0.000 0.243 138 I C 2.446 178.522 176.117 -0.068 0.000 1.047 138 I CA 2.358 63.642 61.300 -0.028 0.000 1.308 138 I CB -0.458 37.557 38.000 0.026 0.000 1.015 138 I HN 0.760 nan 8.210 nan 0.000 0.410 139 W N 1.844 122.908 121.300 -0.392 0.000 2.318 139 W HA -0.270 4.392 4.660 0.004 0.000 0.313 139 W C 2.554 178.965 176.519 -0.181 0.000 1.221 139 W CA 2.367 59.500 57.345 -0.353 0.000 1.266 139 W CB -0.792 28.295 29.460 -0.622 0.000 1.150 139 W HN -0.051 nan 8.180 nan 0.000 0.496 140 T N 1.586 115.921 114.554 -0.365 0.000 2.897 140 T HA -0.171 4.182 4.350 0.004 0.000 0.271 140 T C 1.496 175.968 174.700 -0.379 0.000 1.084 140 T CA 1.568 63.335 62.100 -0.555 0.000 1.123 140 T CB -0.370 68.373 68.868 -0.209 0.000 0.865 140 T HN 0.165 nan 8.240 nan 0.000 0.496 141 L N -0.266 120.811 121.223 -0.244 0.000 2.628 141 L HA 0.232 4.575 4.340 0.004 0.000 0.229 141 L C 0.877 177.650 176.870 -0.162 0.000 1.137 141 L CA -0.028 54.715 54.840 -0.163 0.000 0.909 141 L CB 0.284 42.290 42.059 -0.089 0.000 1.137 141 L HN 0.304 nan 8.230 nan 0.000 0.470 142 C N -1.648 117.510 119.300 -0.236 0.000 4.015 142 C HA 0.039 4.501 4.460 0.004 0.000 0.323 142 C C 2.055 176.908 174.990 -0.229 0.000 1.724 142 C CA -0.634 58.281 59.018 -0.172 0.000 1.828 142 C CB -0.151 27.535 27.740 -0.090 0.000 3.083 142 C HN 0.482 nan 8.230 nan 0.000 0.640 143 K N 0.806 120.954 120.400 -0.420 0.000 2.426 143 K HA 0.074 4.396 4.320 0.004 0.000 0.193 143 K C 1.063 177.521 176.600 -0.237 0.000 1.028 143 K CA 1.162 57.201 56.287 -0.413 0.000 1.047 143 K CB -0.247 31.771 32.500 -0.804 0.000 0.821 143 K HN 0.292 nan 8.250 nan 0.000 0.513 144 T N 0.724 115.157 114.554 -0.201 0.000 3.033 144 T HA 0.069 4.421 4.350 0.004 0.000 0.248 144 T C 0.249 174.902 174.700 -0.079 0.000 1.040 144 T CA 0.057 62.083 62.100 -0.125 0.000 1.133 144 T CB 0.182 68.980 68.868 -0.117 0.000 0.895 144 T HN 0.042 nan 8.240 nan 0.000 0.465 145 K N 2.505 122.859 120.400 -0.078 0.000 2.319 145 K HA 0.157 4.480 4.320 0.004 0.000 0.277 145 K C 0.343 176.933 176.600 -0.016 0.000 1.111 145 K CA 0.334 56.596 56.287 -0.042 0.000 1.093 145 K CB 0.076 32.551 32.500 -0.042 0.000 0.910 145 K HN 0.418 nan 8.250 nan 0.000 0.452 146 M N 1.303 120.903 119.600 0.001 0.000 2.428 146 M HA -0.019 4.463 4.480 0.004 0.000 0.239 146 M C 0.527 176.863 176.300 0.061 0.000 1.121 146 M CA -0.032 55.288 55.300 0.033 0.000 1.019 146 M CB 0.623 33.242 32.600 0.031 0.000 1.485 146 M HN 0.237 nan 8.290 nan 0.000 0.484 147 V N -3.650 116.286 119.914 0.037 0.000 2.630 147 V HA 0.254 4.377 4.120 0.004 0.000 0.305 147 V C 0.770 176.882 176.094 0.030 0.000 1.046 147 V CA -1.126 61.196 62.300 0.037 0.000 0.934 147 V CB 1.531 33.364 31.823 0.017 0.000 1.003 147 V HN 0.382 nan 8.190 nan 0.000 0.451 148 C N 2.317 121.636 119.300 0.032 0.000 2.435 148 C HA 0.161 4.624 4.460 0.004 0.000 0.279 148 C C 0.974 175.967 174.990 0.004 0.000 1.321 148 C CA 1.111 60.144 59.018 0.024 0.000 1.752 148 C CB -1.934 25.823 27.740 0.028 0.000 1.959 148 C HN 1.143 nan 8.230 nan 0.000 0.500 149 E N -0.873 119.325 120.200 -0.004 0.000 7.677 149 E HA -0.167 4.186 4.350 0.004 0.000 0.462 149 E C 0.724 177.313 176.600 -0.018 0.000 0.444 149 E CA 0.443 56.836 56.400 -0.013 0.000 0.787 149 E CB -0.786 28.904 29.700 -0.017 0.000 0.972 149 E HN 0.697 nan 8.360 nan 0.000 0.265 150 T N -1.190 113.351 114.554 -0.021 0.000 2.990 150 T HA 0.057 4.409 4.350 0.004 0.000 0.237 150 T C 0.391 175.076 174.700 -0.024 0.000 1.009 150 T CA 1.038 63.124 62.100 -0.023 0.000 1.195 150 T CB 0.068 68.921 68.868 -0.025 0.000 0.885 150 T HN 0.557 nan 8.240 nan 0.000 0.424 151 D N 0.114 120.499 120.400 -0.025 0.000 2.732 151 D HA 0.611 5.254 4.640 0.004 0.000 0.229 151 D C -1.626 174.657 176.300 -0.029 0.000 1.152 151 D CA -0.992 52.992 54.000 -0.026 0.000 0.854 151 D CB 2.062 42.849 40.800 -0.022 0.000 1.590 151 D HN 0.263 nan 8.370 nan 0.000 0.468 152 V N 1.091 120.984 119.914 -0.035 0.000 2.577 152 V HA 0.474 4.596 4.120 0.004 0.000 0.303 152 V C -2.628 173.440 176.094 -0.043 0.000 1.042 152 V CA -2.105 60.169 62.300 -0.043 0.000 0.872 152 V CB 1.942 33.730 31.823 -0.060 0.000 0.998 152 V HN 0.465 nan 8.190 nan 0.000 0.423 153 P HA -0.028 nan 4.420 nan 0.000 0.261 153 P C 0.965 178.251 177.300 -0.024 0.000 1.158 153 P CA 0.651 63.738 63.100 -0.022 0.000 0.758 153 P CB 0.408 32.099 31.700 -0.014 0.000 0.763 154 S N 1.625 117.319 115.700 -0.009 0.000 2.559 154 S HA -0.213 4.259 4.470 0.004 0.000 0.250 154 S C 0.937 175.554 174.600 0.028 0.000 0.977 154 S CA 1.193 59.395 58.200 0.003 0.000 0.958 154 S CB -0.560 62.647 63.200 0.011 0.000 0.751 154 S HN 0.565 nan 8.310 nan 0.000 0.534 155 E N 0.031 120.246 120.200 0.025 0.000 4.082 155 E HA -0.142 4.211 4.350 0.004 0.000 0.249 155 E C -0.686 175.949 176.600 0.057 0.000 0.641 155 E CA 1.534 57.976 56.400 0.071 0.000 2.398 155 E CB -1.711 28.096 29.700 0.180 0.000 1.659 155 E HN 0.852 nan 8.360 nan 0.000 0.625 156 D N 1.983 122.407 120.400 0.040 0.000 2.317 156 D HA 0.230 4.872 4.640 0.004 0.000 0.234 156 D C -0.291 176.019 176.300 0.017 0.000 1.112 156 D CA -0.212 53.804 54.000 0.027 0.000 0.840 156 D CB 1.022 41.836 40.800 0.023 0.000 1.078 156 D HN 0.105 nan 8.370 nan 0.000 0.486 157 D N 2.366 122.774 120.400 0.014 0.000 2.639 157 D HA 0.165 4.807 4.640 0.004 0.000 0.233 157 D C -2.149 174.155 176.300 0.006 0.000 1.161 157 D CA -1.794 52.211 54.000 0.008 0.000 1.003 157 D CB 1.413 42.217 40.800 0.007 0.000 1.034 157 D HN 0.134 nan 8.370 nan 0.000 0.514 158 P HA 0.097 nan 4.420 nan 0.000 0.236 158 P C 0.217 177.519 177.300 0.003 0.000 1.174 158 P CA 0.728 63.831 63.100 0.004 0.000 0.840 158 P CB 0.839 32.542 31.700 0.005 0.000 0.947 159 T N -2.198 112.357 114.554 0.002 0.000 2.802 159 T HA 0.546 4.898 4.350 0.004 0.000 0.311 159 T C -1.624 173.077 174.700 0.001 0.000 1.405 159 T CA -0.547 61.555 62.100 0.003 0.000 1.016 159 T CB 1.513 70.383 68.868 0.003 0.000 1.352 159 T HN -0.202 nan 8.240 nan 0.000 0.498 160 Q N 1.950 121.751 119.800 0.002 0.000 3.232 160 Q HA 0.816 5.158 4.340 0.004 0.000 0.348 160 Q C -1.267 174.732 176.000 -0.002 0.000 0.877 160 Q CA -1.056 54.747 55.803 -0.001 0.000 0.835 160 Q CB 1.181 29.919 28.738 0.000 0.000 1.450 160 Q HN 0.946 nan 8.270 nan 0.000 0.471 161 L N -0.035 121.186 121.223 -0.004 0.000 2.948 161 L HA 0.538 4.880 4.340 0.004 0.000 0.248 161 L C -1.342 175.522 176.870 -0.009 0.000 0.977 161 L CA -0.537 54.298 54.840 -0.008 0.000 1.002 161 L CB 1.379 43.432 42.059 -0.011 0.000 1.519 161 L HN 0.739 nan 8.230 nan 0.000 0.422 162 V N 0.287 120.194 119.914 -0.012 0.000 3.221 162 V HA 0.860 4.983 4.120 0.004 0.000 0.305 162 V C 0.282 176.366 176.094 -0.017 0.000 1.263 162 V CA 0.527 62.819 62.300 -0.013 0.000 1.048 162 V CB 1.276 33.093 31.823 -0.011 0.000 1.203 162 V HN 1.014 nan 8.190 nan 0.000 0.476 163 S N -1.862 113.828 115.700 -0.017 0.000 3.984 163 S HA 0.341 4.814 4.470 0.004 0.000 0.221 163 S C 0.841 175.428 174.600 -0.020 0.000 1.149 163 S CA 0.751 58.939 58.200 -0.020 0.000 0.950 163 S CB -0.173 63.016 63.200 -0.018 0.000 1.216 163 S HN 1.085 nan 8.310 nan 0.000 0.547 164 R N 0.784 121.273 120.500 -0.017 0.000 3.878 164 R HA -0.114 4.228 4.340 0.004 0.000 0.446 164 R C 0.543 176.832 176.300 -0.019 0.000 0.241 164 R CA 1.542 57.632 56.100 -0.017 0.000 1.411 164 R CB -1.933 28.357 30.300 -0.017 0.000 1.019 164 R HN 0.744 nan 8.270 nan 0.000 0.555 165 G N -0.244 108.544 108.800 -0.020 0.000 2.441 165 G HA2 0.465 4.428 3.960 0.004 0.000 0.243 165 G HA3 0.465 4.428 3.960 0.004 0.000 0.243 165 G C 0.086 174.973 174.900 -0.021 0.000 1.281 165 G CA 0.467 45.554 45.100 -0.021 0.000 0.854 165 G HN 0.856 nan 8.290 nan 0.000 0.560 166 G N -0.699 108.089 108.800 -0.020 0.000 2.579 166 G HA2 0.403 4.365 3.960 0.004 0.000 0.292 166 G HA3 0.403 4.365 3.960 0.004 0.000 0.292 166 G C -0.367 174.522 174.900 -0.018 0.000 1.484 166 G CA 0.205 45.293 45.100 -0.019 0.000 0.813 166 G HN 0.751 nan 8.290 nan 0.000 0.515 167 C N -1.168 118.122 119.300 -0.015 0.000 2.617 167 C HA 0.782 5.245 4.460 0.004 0.000 0.297 167 C C 2.222 177.186 174.990 -0.043 0.000 1.689 167 C CA 1.699 60.707 59.018 -0.017 0.000 2.073 167 C CB 0.031 27.780 27.740 0.016 0.000 1.751 167 C HN 1.996 nan 8.230 nan 0.000 0.731 168 G N 0.426 109.203 108.800 -0.039 0.000 3.031 168 G HA2 -0.148 3.814 3.960 0.004 0.000 0.198 168 G HA3 -0.148 3.814 3.960 0.004 0.000 0.198 168 G C 0.193 175.057 174.900 -0.061 0.000 1.242 168 G CA 0.357 45.425 45.100 -0.053 0.000 0.878 168 G HN 0.524 nan 8.290 nan 0.000 0.493 169 N N 1.724 120.363 118.700 -0.101 0.000 2.149 169 N HA 0.387 5.130 4.740 0.004 0.000 0.215 169 N C 0.855 176.350 175.510 -0.025 0.000 1.357 169 N CA 1.566 54.546 53.050 -0.118 0.000 0.869 169 N CB 0.254 38.609 38.487 -0.219 0.000 1.063 169 N HN 0.832 nan 8.380 nan 0.000 0.439 170 T N -2.051 112.502 114.554 -0.003 0.000 2.940 170 T HA 0.353 4.705 4.350 0.004 0.000 0.288 170 T C -0.432 174.426 174.700 0.263 0.000 1.033 170 T CA -0.893 61.269 62.100 0.104 0.000 1.033 170 T CB 1.340 70.279 68.868 0.118 0.000 1.079 170 T HN 0.467 nan 8.240 nan 0.000 0.496 171 Q N 1.454 121.421 119.800 0.280 0.000 2.257 171 Q HA 0.438 4.780 4.340 0.004 0.000 0.255 171 Q C -2.519 173.664 176.000 0.305 0.000 0.920 171 Q CA -2.506 53.495 55.803 0.329 0.000 0.927 171 Q CB 1.254 30.087 28.738 0.158 0.000 1.229 171 Q HN 0.415 nan 8.270 nan 0.000 0.433 172 P HA 0.071 nan 4.420 nan 0.000 0.274 172 P C -0.963 176.199 177.300 -0.231 0.000 1.237 172 P CA -0.273 62.517 63.100 -0.516 0.000 0.793 172 P CB 0.654 31.526 31.700 -1.380 0.000 0.977 173 T N 2.702 117.121 114.554 -0.225 0.000 2.855 173 T HA 0.304 4.656 4.350 0.004 0.000 0.290 173 T C 0.645 175.265 174.700 -0.133 0.000 0.941 173 T CA -0.027 62.001 62.100 -0.121 0.000 1.030 173 T CB -1.020 67.800 68.868 -0.080 0.000 0.935 173 T HN 0.197 nan 8.240 nan 0.000 0.564 174 I N 3.378 123.899 120.570 -0.082 0.000 2.519 174 I HA 0.440 4.612 4.170 0.004 0.000 0.287 174 I C 0.746 176.854 176.117 -0.016 0.000 1.047 174 I CA -0.343 60.922 61.300 -0.058 0.000 1.381 174 I CB 0.736 38.730 38.000 -0.010 0.000 1.417 174 I HN 0.332 nan 8.210 nan 0.000 0.540 175 R N 4.908 125.390 120.500 -0.029 0.000 2.643 175 R HA 0.303 4.645 4.340 0.004 0.000 0.269 175 R C -1.163 175.122 176.300 -0.026 0.000 1.037 175 R CA -0.937 55.155 56.100 -0.014 0.000 0.894 175 R CB 1.930 32.219 30.300 -0.019 0.000 1.238 175 R HN 0.533 nan 8.270 nan 0.000 0.459 176 K N 2.049 122.439 120.400 -0.018 0.000 2.339 176 K HA 0.029 4.352 4.320 0.004 0.000 0.286 176 K C -1.225 175.355 176.600 -0.034 0.000 1.050 176 K CA 0.251 56.517 56.287 -0.033 0.000 0.956 176 K CB 0.572 33.058 32.500 -0.022 0.000 0.990 176 K HN 0.446 nan 8.250 nan 0.000 0.475 177 D N 3.603 123.975 120.400 -0.048 0.000 2.346 177 D HA 0.297 4.940 4.640 0.004 0.000 0.255 177 D C 0.446 176.724 176.300 -0.037 0.000 1.276 177 D CA 0.729 54.708 54.000 -0.035 0.000 0.941 177 D CB 0.662 41.446 40.800 -0.027 0.000 1.199 177 D HN 0.768 nan 8.370 nan 0.000 0.537 178 G N 2.630 111.414 108.800 -0.027 0.000 3.181 178 G HA2 -0.340 3.623 3.960 0.004 0.000 0.322 178 G HA3 -0.340 3.623 3.960 0.004 0.000 0.322 178 G C 0.816 175.701 174.900 -0.024 0.000 1.246 178 G CA 0.640 45.733 45.100 -0.012 0.000 0.989 178 G HN 0.504 nan 8.290 nan 0.000 0.607 179 L N 0.212 121.423 121.223 -0.020 0.000 2.672 179 L HA 0.375 4.717 4.340 0.004 0.000 0.236 179 L C 0.974 177.757 176.870 -0.145 0.000 1.092 179 L CA 0.188 55.008 54.840 -0.033 0.000 0.887 179 L CB 0.271 42.376 42.059 0.076 0.000 1.168 179 L HN 0.179 nan 8.230 nan 0.000 0.502 180 K N 0.785 121.125 120.400 -0.100 0.000 2.106 180 K HA 0.635 4.957 4.320 0.004 0.000 0.246 180 K C -0.770 175.727 176.600 -0.172 0.000 0.987 180 K CA -0.154 56.057 56.287 -0.127 0.000 0.904 180 K CB 1.631 34.139 32.500 0.015 0.000 1.071 180 K HN -0.096 nan 8.250 nan 0.000 0.453 181 L N 1.379 122.507 121.223 -0.159 0.000 2.346 181 L HA 0.521 4.863 4.340 0.004 0.000 0.276 181 L C -0.935 175.906 176.870 -0.048 0.000 1.006 181 L CA -1.311 53.467 54.840 -0.104 0.000 0.817 181 L CB 1.872 43.864 42.059 -0.112 0.000 1.272 181 L HN 0.240 nan 8.230 nan 0.000 0.421 182 V N 1.581 121.459 119.914 -0.059 0.000 2.435 182 V HA 0.710 4.832 4.120 0.004 0.000 0.290 182 V C 0.452 176.464 176.094 -0.138 0.000 1.030 182 V CA -0.430 61.823 62.300 -0.079 0.000 0.881 182 V CB 1.624 33.411 31.823 -0.061 0.000 0.983 182 V HN 0.892 nan 8.190 nan 0.000 0.445 183 G N 1.798 110.452 108.800 -0.245 0.000 2.482 183 G HA2 0.583 4.545 3.960 0.004 0.000 0.317 183 G HA3 0.583 4.545 3.960 0.004 0.000 0.317 183 G C -0.923 173.627 174.900 -0.583 0.000 1.241 183 G CA -0.546 44.292 45.100 -0.437 0.000 0.967 183 G HN 0.671 nan 8.290 nan 0.000 0.482 184 S N 1.021 116.395 115.700 -0.543 0.000 2.721 184 S HA 0.421 4.894 4.470 0.004 0.000 0.264 184 S C 0.054 174.498 174.600 -0.261 0.000 1.161 184 S CA -0.877 57.114 58.200 -0.348 0.000 1.113 184 S CB 0.133 63.245 63.200 -0.147 0.000 1.079 184 S HN 0.542 nan 8.310 nan 0.000 0.479 185 W N 3.318 124.637 121.300 0.031 0.000 1.622 185 W HA 0.487 5.149 4.660 0.004 0.000 0.567 185 W C 0.348 176.879 176.519 0.019 0.000 1.934 185 W CA -0.318 57.044 57.345 0.028 0.000 2.156 185 W CB -0.111 29.371 29.460 0.036 0.000 2.573 185 W HN 0.433 nan 8.180 nan 0.000 0.828 186 K N 0.984 121.572 120.400 0.314 0.000 1.568 186 K HA -0.067 4.256 4.320 0.004 0.000 0.884 186 K C -0.625 176.041 176.600 0.109 0.000 1.180 186 K CA -0.134 56.249 56.287 0.160 0.000 0.974 186 K CB -0.281 32.283 32.500 0.108 0.000 2.824 186 K HN 0.504 nan 8.250 nan 0.000 0.285 187 K N -0.445 120.000 120.400 0.075 0.000 1.884 187 K HA 0.382 4.704 4.320 0.004 0.000 0.250 187 K C -0.201 176.411 176.600 0.020 0.000 1.009 187 K CA -0.665 55.644 56.287 0.037 0.000 0.925 187 K CB -0.017 32.489 32.500 0.010 0.000 1.839 187 K HN 0.172 nan 8.250 nan 0.000 0.735 188 D N 0.795 121.197 120.400 0.003 0.000 2.819 188 D HA -0.118 4.525 4.640 0.004 0.000 0.236 188 D C -0.438 175.864 176.300 0.002 0.000 1.181 188 D CA 0.762 54.761 54.000 -0.001 0.000 0.855 188 D CB 0.302 41.095 40.800 -0.012 0.000 1.146 188 D HN 0.534 nan 8.370 nan 0.000 0.540 189 R N 2.266 122.770 120.500 0.007 0.000 2.486 189 R HA 0.213 4.555 4.340 0.004 0.000 0.388 189 R C -0.028 176.276 176.300 0.007 0.000 0.810 189 R CA -0.580 55.525 56.100 0.009 0.000 1.057 189 R CB 0.379 30.689 30.300 0.018 0.000 1.670 189 R HN 0.307 nan 8.270 nan 0.000 0.551 190 A N 1.460 124.283 122.820 0.004 0.000 2.520 190 A HA 0.447 4.769 4.320 0.004 0.000 0.245 190 A C 0.791 178.376 177.584 0.002 0.000 1.072 190 A CA 1.247 53.286 52.037 0.003 0.000 0.761 190 A CB 0.068 19.069 19.000 0.001 0.000 1.004 190 A HN 0.511 nan 8.150 nan 0.000 0.499 191 T N 0.033 114.589 114.554 0.003 0.000 2.533 191 T HA -0.019 4.333 4.350 0.004 0.000 0.175 191 T C 1.741 176.443 174.700 0.003 0.000 2.317 191 T CA 0.415 62.517 62.100 0.002 0.000 0.941 191 T CB -1.052 67.817 68.868 0.002 0.000 2.474 191 T HN 1.588 nan 8.240 nan 0.000 0.294 192 G N 2.642 111.444 108.800 0.004 0.000 2.550 192 G HA2 0.051 4.014 3.960 0.004 0.000 0.222 192 G HA3 0.051 4.014 3.960 0.004 0.000 0.222 192 G C 0.629 175.532 174.900 0.005 0.000 1.113 192 G CA 2.718 47.820 45.100 0.005 0.000 0.748 192 G HN 1.901 nan 8.290 nan 0.000 0.585 193 D N -5.301 115.102 120.400 0.006 0.000 4.432 193 D HA 0.282 4.924 4.640 0.004 0.000 0.097 193 D C 0.733 177.038 176.300 0.009 0.000 0.397 193 D CA 1.513 55.517 54.000 0.007 0.000 0.575 193 D CB -1.038 39.766 40.800 0.006 0.000 1.639 193 D HN 1.519 nan 8.370 nan 0.000 0.031 194 A N -0.031 122.796 122.820 0.011 0.000 2.960 194 A HA 0.083 4.405 4.320 0.004 0.000 0.251 194 A C 0.209 177.804 177.584 0.018 0.000 1.924 194 A CA 1.515 53.561 52.037 0.015 0.000 1.025 194 A CB -2.200 16.810 19.000 0.016 0.000 1.217 194 A HN 1.210 nan 8.150 nan 0.000 0.573 195 D N -0.423 119.988 120.400 0.018 0.000 4.100 195 D HA 0.049 4.691 4.640 0.004 0.000 0.287 195 D C 0.180 176.496 176.300 0.026 0.000 2.266 195 D CA 1.784 55.796 54.000 0.020 0.000 1.075 195 D CB -0.836 39.973 40.800 0.016 0.000 1.032 195 D HN 1.764 nan 8.370 nan 0.000 1.209 196 E N -1.448 118.769 120.200 0.027 0.000 2.708 196 E HA -0.172 4.180 4.350 0.004 0.000 0.150 196 E C -2.388 174.242 176.600 0.049 0.000 1.853 196 E CA 0.317 56.737 56.400 0.035 0.000 0.643 196 E CB -0.575 29.142 29.700 0.029 0.000 1.078 196 E HN 0.175 nan 8.360 nan 0.000 0.345 197 P HA 0.201 nan 4.420 nan 0.000 0.338 197 P C -0.794 176.572 177.300 0.110 0.000 1.308 197 P CA -0.326 62.819 63.100 0.075 0.000 0.753 197 P CB 0.641 32.374 31.700 0.056 0.000 1.579 198 E N -0.088 120.196 120.200 0.140 0.000 2.721 198 E HA 0.156 4.509 4.350 0.004 0.000 0.392 198 E C -1.636 175.069 176.600 0.176 0.000 1.068 198 E CA -0.034 56.498 56.400 0.221 0.000 0.744 198 E CB -1.083 28.845 29.700 0.380 0.000 1.593 198 E HN 0.181 nan 8.360 nan 0.000 0.382 199 L N 2.380 123.660 121.223 0.095 0.000 2.397 199 L HA 0.426 4.769 4.340 0.004 0.000 0.263 199 L C 0.739 177.632 176.870 0.038 0.000 1.136 199 L CA -0.381 54.469 54.840 0.017 0.000 1.019 199 L CB 0.358 42.421 42.059 0.007 0.000 1.352 199 L HN 0.213 nan 8.230 nan 0.000 0.420 200 R N 1.767 122.282 120.500 0.024 0.000 2.357 200 R HA 0.424 4.767 4.340 0.004 0.000 0.296 200 R C -0.848 175.456 176.300 0.007 0.000 1.052 200 R CA -0.579 55.579 56.100 0.098 0.000 0.988 200 R CB 1.442 31.943 30.300 0.336 0.000 1.025 200 R HN 0.203 nan 8.270 nan 0.000 0.469 201 V N 6.632 126.582 119.914 0.059 0.000 2.389 201 V HA 0.130 4.252 4.120 0.004 0.000 0.264 201 V C 0.175 176.322 176.094 0.089 0.000 1.049 201 V CA -0.598 61.732 62.300 0.050 0.000 0.932 201 V CB 0.799 32.660 31.823 0.062 0.000 1.011 201 V HN 0.636 nan 8.190 nan 0.000 0.475 202 L N 4.856 126.128 121.223 0.080 0.000 2.513 202 L HA 0.138 4.481 4.340 0.004 0.000 0.272 202 L C 0.935 177.926 176.870 0.201 0.000 1.187 202 L CA 1.259 56.184 54.840 0.141 0.000 0.895 202 L CB 0.673 42.812 42.059 0.133 0.000 1.147 202 L HN 0.740 nan 8.230 nan 0.000 0.483 203 S N 1.297 117.111 115.700 0.190 0.000 2.598 203 S HA 0.336 4.809 4.470 0.004 0.000 0.267 203 S C 1.171 175.904 174.600 0.221 0.000 1.189 203 S CA 0.010 58.319 58.200 0.181 0.000 1.010 203 S CB 0.881 64.148 63.200 0.112 0.000 1.084 203 S HN 0.756 nan 8.310 nan 0.000 0.541 204 T N 0.856 115.459 114.554 0.082 0.000 3.042 204 T HA 0.111 4.463 4.350 0.004 0.000 0.245 204 T C 1.591 176.255 174.700 -0.061 0.000 1.029 204 T CA 0.521 62.549 62.100 -0.121 0.000 1.120 204 T CB -0.322 68.331 68.868 -0.359 0.000 0.917 204 T HN 0.607 nan 8.240 nan 0.000 0.467 205 E N 2.179 122.371 120.200 -0.014 0.000 2.204 205 E HA -0.093 4.259 4.350 0.004 0.000 0.195 205 E C 1.544 178.172 176.600 0.048 0.000 0.990 205 E CA 1.031 57.439 56.400 0.014 0.000 0.821 205 E CB -0.047 29.661 29.700 0.013 0.000 0.750 205 E HN 0.508 nan 8.360 nan 0.000 0.477 206 E N -0.834 119.404 120.200 0.065 0.000 2.370 206 E HA 0.171 4.524 4.350 0.004 0.000 0.194 206 E C 0.628 177.293 176.600 0.108 0.000 1.057 206 E CA -0.116 56.329 56.400 0.075 0.000 1.011 206 E CB 0.118 29.860 29.700 0.070 0.000 1.132 206 E HN 0.353 nan 8.360 nan 0.000 0.450 207 I N -0.306 120.351 120.570 0.145 0.000 3.878 207 I HA -0.063 4.109 4.170 0.004 0.000 0.273 207 I C 1.795 178.135 176.117 0.372 0.000 1.165 207 I CA 0.005 61.457 61.300 0.253 0.000 1.360 207 I CB -0.058 38.157 38.000 0.358 0.000 1.539 207 I HN 0.191 nan 8.210 nan 0.000 0.447 208 L N 1.288 122.671 121.223 0.266 0.000 2.083 208 L HA -0.126 4.217 4.340 0.004 0.000 0.209 208 L C 1.914 178.921 176.870 0.228 0.000 1.083 208 L CA 2.310 57.308 54.840 0.264 0.000 0.752 208 L CB -2.134 39.983 42.059 0.096 0.000 0.899 208 L HN 0.346 nan 8.230 nan 0.000 0.433 209 N N 0.892 119.687 118.700 0.159 0.000 2.149 209 N HA -0.218 4.524 4.740 0.004 0.000 0.188 209 N C 1.815 177.416 175.510 0.151 0.000 1.019 209 N CA 2.194 55.333 53.050 0.149 0.000 0.857 209 N CB -0.387 38.164 38.487 0.107 0.000 0.997 209 N HN 0.564 nan 8.380 nan 0.000 0.426 210 I N -0.900 119.723 120.570 0.088 0.000 2.163 210 I HA -0.221 3.951 4.170 0.004 0.000 0.240 210 I C 1.473 177.549 176.117 -0.068 0.000 1.081 210 I CA 0.975 62.254 61.300 -0.035 0.000 1.353 210 I CB -0.395 37.509 38.000 -0.160 0.000 1.054 210 I HN 0.061 nan 8.210 nan 0.000 0.407 211 F N 1.151 121.126 119.950 0.042 0.000 2.216 211 F HA -0.211 4.318 4.527 0.004 0.000 0.300 211 F C 2.513 178.312 175.800 -0.001 0.000 1.085 211 F CA 1.453 59.460 58.000 0.011 0.000 1.326 211 F CB -0.506 38.487 39.000 -0.011 0.000 1.027 211 F HN -0.070 nan 8.300 nan 0.000 0.497 212 K N -0.819 119.686 120.400 0.175 0.000 2.147 212 K HA -0.134 4.189 4.320 0.004 0.000 0.205 212 K C 0.804 177.336 176.600 -0.113 0.000 1.049 212 K CA 1.119 57.427 56.287 0.035 0.000 0.936 212 K CB -0.109 32.408 32.500 0.028 0.000 0.722 212 K HN 0.291 nan 8.250 nan 0.000 0.446 213 H N 0.217 119.297 119.070 0.017 0.000 2.524 213 H HA 0.127 4.685 4.556 0.004 0.000 0.297 213 H C -0.586 174.693 175.328 -0.081 0.000 1.115 213 H CA -0.297 55.736 56.048 -0.025 0.000 1.027 213 H CB 0.253 30.000 29.762 -0.025 0.000 1.591 213 H HN 0.018 nan 8.280 nan 0.000 0.543 214 I N 1.360 121.895 120.570 -0.059 0.000 2.342 214 I HA 0.004 4.177 4.170 0.004 0.000 0.291 214 I C 1.206 177.085 176.117 -0.397 0.000 1.010 214 I CA -0.088 61.082 61.300 -0.216 0.000 1.308 214 I CB 1.282 39.126 38.000 -0.261 0.000 1.400 214 I HN 0.104 nan 8.210 nan 0.000 0.488 215 S N 4.168 119.673 115.700 -0.325 0.000 2.558 215 S HA 0.071 4.543 4.470 0.004 0.000 0.291 215 S C 1.519 175.809 174.600 -0.517 0.000 1.306 215 S CA -0.608 57.412 58.200 -0.300 0.000 1.056 215 S CB 0.724 63.816 63.200 -0.179 0.000 0.836 215 S HN 0.375 nan 8.310 nan 0.000 0.504 216 V N 5.648 125.369 119.914 -0.322 0.000 2.490 216 V HA -0.143 3.980 4.120 0.004 0.000 0.250 216 V C 2.208 178.212 176.094 -0.149 0.000 1.061 216 V CA 1.690 63.856 62.300 -0.224 0.000 1.064 216 V CB -0.715 31.109 31.823 0.001 0.000 0.670 216 V HN 0.792 nan 8.190 nan 0.000 0.461 217 K N -0.041 120.280 120.400 -0.131 0.000 2.296 217 K HA -0.075 4.247 4.320 0.004 0.000 0.200 217 K C 1.492 178.044 176.600 -0.081 0.000 1.048 217 K CA 0.965 57.221 56.287 -0.053 0.000 0.966 217 K CB -0.136 32.348 32.500 -0.027 0.000 0.754 217 K HN 0.422 nan 8.250 nan 0.000 0.466 218 D N 0.051 120.312 120.400 -0.231 0.000 2.378 218 D HA -0.066 4.576 4.640 0.004 0.000 0.227 218 D C 1.056 177.270 176.300 -0.143 0.000 1.012 218 D CA 0.745 54.624 54.000 -0.201 0.000 0.905 218 D CB -0.023 40.621 40.800 -0.261 0.000 0.895 218 D HN 0.175 nan 8.370 nan 0.000 0.532 219 F N 0.740 120.697 119.950 0.011 0.000 2.092 219 F HA -0.101 4.428 4.527 0.004 0.000 0.286 219 F C 2.592 178.489 175.800 0.161 0.000 1.116 219 F CA 0.714 58.732 58.000 0.030 0.000 1.185 219 F CB -0.724 38.254 39.000 -0.038 0.000 1.034 219 F HN -0.136 nan 8.300 nan 0.000 0.479 220 T N 0.268 115.028 114.554 0.343 0.000 2.680 220 T HA -0.295 4.058 4.350 0.004 0.000 0.268 220 T C 2.092 176.916 174.700 0.208 0.000 1.033 220 T CA 1.817 64.058 62.100 0.234 0.000 1.152 220 T CB -0.889 68.075 68.868 0.161 0.000 0.859 220 T HN 0.394 nan 8.240 nan 0.000 0.452 221 S N 3.216 119.028 115.700 0.187 0.000 2.369 221 S HA -0.159 4.313 4.470 0.004 0.000 0.225 221 S C 1.679 176.424 174.600 0.242 0.000 1.043 221 S CA 1.573 59.877 58.200 0.172 0.000 1.074 221 S CB -0.884 62.395 63.200 0.131 0.000 0.962 221 S HN 0.531 nan 8.310 nan 0.000 0.433 222 L N 0.396 121.822 121.223 0.337 0.000 2.688 222 L HA 0.643 4.985 4.340 0.004 0.000 0.234 222 L C 0.965 178.082 176.870 0.412 0.000 1.192 222 L CA 0.020 55.166 54.840 0.510 0.000 0.984 222 L CB -1.169 41.271 42.059 0.636 0.000 1.232 222 L HN 0.504 nan 8.230 nan 0.000 0.465 223 G N -1.024 107.932 108.800 0.260 0.000 2.623 223 G HA2 -0.241 3.722 3.960 0.004 0.000 0.281 223 G HA3 -0.241 3.722 3.960 0.004 0.000 0.281 223 G C -0.444 174.378 174.900 -0.130 0.000 1.087 223 G CA -0.085 45.041 45.100 0.044 0.000 1.244 223 G HN 0.248 nan 8.290 nan 0.000 0.544 224 F N 0.140 120.098 119.950 0.013 0.000 3.205 224 F HA 0.711 5.241 4.527 0.004 0.000 0.336 224 F C 0.501 176.277 175.800 -0.040 0.000 1.255 224 F CA -0.482 57.486 58.000 -0.053 0.000 0.998 224 F CB 1.389 40.355 39.000 -0.056 0.000 1.531 224 F HN 0.381 nan 8.300 nan 0.000 0.521 225 N N -0.753 118.063 118.700 0.193 0.000 3.587 225 N HA 0.195 4.938 4.740 0.004 0.000 0.339 225 N C -0.393 175.084 175.510 -0.056 0.000 1.636 225 N CA -0.144 52.965 53.050 0.098 0.000 0.788 225 N CB 1.895 40.462 38.487 0.133 0.000 2.205 225 N HN 0.635 nan 8.380 nan 0.000 0.600 226 E N -0.230 119.960 120.200 -0.016 0.000 3.441 226 E HA 0.090 4.442 4.350 0.004 0.000 0.195 226 E C 1.409 177.924 176.600 -0.141 0.000 1.172 226 E CA 0.631 56.947 56.400 -0.141 0.000 1.457 226 E CB 0.046 29.755 29.700 0.015 0.000 1.388 226 E HN 0.354 nan 8.360 nan 0.000 0.551 227 V N 0.105 119.994 119.914 -0.042 0.000 3.461 227 V HA 0.147 4.270 4.120 0.004 0.000 0.267 227 V C 1.629 177.544 176.094 -0.298 0.000 1.186 227 V CA 0.757 62.958 62.300 -0.165 0.000 1.154 227 V CB -0.759 30.876 31.823 -0.313 0.000 0.802 227 V HN 0.054 nan 8.190 nan 0.000 0.474 228 F N 0.289 120.279 119.950 0.066 0.000 2.480 228 F HA 0.399 4.928 4.527 0.004 0.000 0.258 228 F C 1.384 177.254 175.800 0.117 0.000 0.941 228 F CA 0.219 58.274 58.000 0.092 0.000 1.085 228 F CB -0.445 38.570 39.000 0.025 0.000 1.222 228 F HN -0.139 nan 8.300 nan 0.000 0.724 229 S N 1.300 117.128 115.700 0.214 0.000 2.438 229 S HA 0.555 5.027 4.470 0.004 0.000 0.293 229 S C -0.529 173.976 174.600 -0.160 0.000 1.141 229 S CA -0.555 57.690 58.200 0.076 0.000 1.080 229 S CB 1.070 64.304 63.200 0.057 0.000 0.978 229 S HN 0.212 nan 8.310 nan 0.000 0.479 230 R N 3.563 123.759 120.500 -0.506 0.000 2.564 230 R HA 0.356 4.699 4.340 0.004 0.000 0.284 230 R C -2.602 173.192 176.300 -0.844 0.000 1.031 230 R CA -2.060 53.390 56.100 -1.083 0.000 0.904 230 R CB 1.362 30.621 30.300 -1.734 0.000 1.199 230 R HN 0.252 nan 8.270 nan 0.000 0.443 231 P HA -0.197 nan 4.420 nan 0.000 0.219 231 P C 0.478 177.459 177.300 -0.531 0.000 1.146 231 P CA 1.084 63.804 63.100 -0.634 0.000 0.808 231 P CB 0.225 31.595 31.700 -0.549 0.000 0.779 232 E N -1.663 118.303 120.200 -0.390 0.000 2.427 232 E HA -0.135 4.217 4.350 0.004 0.000 0.196 232 E C 0.806 177.450 176.600 0.074 0.000 1.028 232 E CA 0.783 57.094 56.400 -0.148 0.000 0.864 232 E CB -0.792 28.899 29.700 -0.015 0.000 0.813 232 E HN 0.367 nan 8.360 nan 0.000 0.514 233 W N 0.414 121.612 121.300 -0.169 0.000 3.211 233 W HA 0.369 5.032 4.660 0.004 0.000 0.292 233 W C 1.800 178.224 176.519 -0.159 0.000 1.268 233 W CA -0.722 56.552 57.345 -0.118 0.000 1.702 233 W CB -0.576 28.827 29.460 -0.095 0.000 1.092 233 W HN 0.058 nan 8.180 nan 0.000 0.643 234 M N 1.078 120.613 119.600 -0.109 0.000 2.476 234 M HA -0.015 4.467 4.480 0.004 0.000 0.262 234 M C 0.145 176.389 176.300 -0.093 0.000 1.079 234 M CA 1.114 56.225 55.300 -0.316 0.000 1.104 234 M CB 0.028 32.320 32.600 -0.512 0.000 1.409 234 M HN -0.178 nan 8.290 nan 0.000 0.467 235 I N -1.050 119.494 120.570 -0.042 0.000 2.562 235 I HA 0.439 4.612 4.170 0.004 0.000 0.301 235 I C -1.209 174.947 176.117 0.065 0.000 1.003 235 I CA -1.032 60.283 61.300 0.025 0.000 1.127 235 I CB 1.086 39.021 38.000 -0.108 0.000 1.304 235 I HN -0.103 nan 8.210 nan 0.000 0.446 236 L N 4.493 125.764 121.223 0.081 0.000 2.282 236 L HA 0.541 4.884 4.340 0.004 0.000 0.288 236 L C 0.454 177.355 176.870 0.051 0.000 1.033 236 L CA -0.268 54.635 54.840 0.105 0.000 0.807 236 L CB 1.483 43.640 42.059 0.164 0.000 1.209 236 L HN 0.848 nan 8.230 nan 0.000 0.423 237 T N -1.090 113.493 114.554 0.049 0.000 2.978 237 T HA 0.104 4.457 4.350 0.004 0.000 0.248 237 T C 0.170 174.889 174.700 0.033 0.000 1.018 237 T CA 0.017 62.135 62.100 0.029 0.000 1.026 237 T CB 0.259 69.139 68.868 0.021 0.000 1.032 237 T HN 0.752 nan 8.240 nan 0.000 0.485 238 C N 1.471 120.794 119.300 0.038 0.000 2.817 238 C HA 0.677 5.139 4.460 0.004 0.000 0.385 238 C C -0.728 174.292 174.990 0.051 0.000 1.050 238 C CA -1.718 57.330 59.018 0.050 0.000 1.245 238 C CB -0.114 27.660 27.740 0.057 0.000 1.706 238 C HN 0.261 nan 8.230 nan 0.000 0.488 239 L N 3.951 125.214 121.223 0.065 0.000 2.380 239 L HA 0.516 4.858 4.340 0.004 0.000 0.273 239 L C -2.111 174.802 176.870 0.073 0.000 1.138 239 L CA -1.174 53.712 54.840 0.077 0.000 0.832 239 L CB 1.546 43.656 42.059 0.085 0.000 1.124 239 L HN 0.534 nan 8.230 nan 0.000 0.454 240 P HA 0.097 nan 4.420 nan 0.000 0.276 240 P C -0.782 176.694 177.300 0.293 0.000 1.253 240 P CA -0.297 62.886 63.100 0.138 0.000 0.766 240 P CB 0.716 32.331 31.700 -0.142 0.000 0.845 241 V N 6.730 126.774 119.914 0.217 0.000 2.408 241 V HA 0.233 4.355 4.120 0.004 0.000 0.267 241 V C -1.975 173.958 176.094 -0.268 0.000 1.047 241 V CA -1.901 60.408 62.300 0.014 0.000 0.937 241 V CB 0.574 32.368 31.823 -0.050 0.000 0.999 241 V HN 0.488 nan 8.190 nan 0.000 0.472 242 P HA 0.315 nan 4.420 nan 0.000 0.276 242 P C -2.608 174.377 177.300 -0.525 0.000 1.230 242 P CA -1.702 60.959 63.100 -0.731 0.000 0.776 242 P CB 0.084 31.655 31.700 -0.215 0.000 0.888 243 P HA 0.059 nan 4.420 nan 0.000 0.270 243 P C -1.791 175.399 177.300 -0.183 0.000 1.223 243 P CA -1.147 61.775 63.100 -0.297 0.000 0.785 243 P CB -0.763 30.793 31.700 -0.240 0.000 0.923 244 P HA -0.173 nan 4.420 nan 0.000 0.215 244 P C -1.201 176.051 177.300 -0.080 0.000 1.163 244 P CA 2.758 65.802 63.100 -0.093 0.000 0.894 244 P CB -1.984 29.672 31.700 -0.073 0.000 0.791 245 P HA -0.149 nan 4.420 nan 0.000 0.218 245 P C 1.548 178.819 177.300 -0.048 0.000 1.147 245 P CA 1.135 64.199 63.100 -0.060 0.000 0.827 245 P CB -0.509 31.152 31.700 -0.065 0.000 0.778 246 V N -0.279 119.597 119.914 -0.064 0.000 2.358 246 V HA -0.161 3.961 4.120 0.004 0.000 0.246 246 V C 1.422 177.502 176.094 -0.023 0.000 1.047 246 V CA 1.805 64.082 62.300 -0.040 0.000 1.035 246 V CB -0.909 30.878 31.823 -0.059 0.000 0.658 246 V HN 0.277 nan 8.190 nan 0.000 0.452 247 R N -0.507 119.972 120.500 -0.035 0.000 2.738 247 R HA 0.397 4.739 4.340 0.004 0.000 0.280 247 R C -2.967 173.313 176.300 -0.033 0.000 1.456 247 R CA -1.639 54.448 56.100 -0.022 0.000 1.612 247 R CB -0.082 30.209 30.300 -0.014 0.000 1.286 247 R HN 0.219 nan 8.270 nan 0.000 0.660 248 P HA -0.107 nan 4.420 nan 0.000 0.271 248 P C -0.096 177.188 177.300 -0.027 0.000 1.228 248 P CA 0.337 63.420 63.100 -0.028 0.000 0.797 248 P CB 0.697 32.388 31.700 -0.016 0.000 0.914 249 S N -0.533 115.152 115.700 -0.025 0.000 3.144 249 S HA 0.797 5.270 4.470 0.004 0.000 0.325 249 S C 0.373 174.971 174.600 -0.004 0.000 1.161 249 S CA -0.049 58.137 58.200 -0.023 0.000 0.920 249 S CB 0.223 63.400 63.200 -0.038 0.000 1.340 249 S HN 0.529 nan 8.310 nan 0.000 0.681 250 I N -3.169 117.404 120.570 0.004 0.000 4.546 250 I HA -0.265 3.908 4.170 0.004 0.000 0.128 250 I C 0.914 177.067 176.117 0.060 0.000 1.403 250 I CA 1.274 62.587 61.300 0.022 0.000 0.462 250 I CB -2.272 35.730 38.000 0.004 0.000 1.071 250 I HN 1.573 nan 8.210 nan 0.000 0.309 251 S N -0.720 115.019 115.700 0.064 0.000 2.691 251 S HA -0.200 4.273 4.470 0.004 0.000 0.262 251 S C -0.175 174.553 174.600 0.213 0.000 1.284 251 S CA 1.733 59.994 58.200 0.102 0.000 1.372 251 S CB -1.448 61.802 63.200 0.084 0.000 1.693 251 S HN 1.681 nan 8.310 nan 0.000 0.647 252 F N 0.554 120.501 119.950 -0.005 0.000 2.769 252 F HA 0.490 5.019 4.527 0.004 0.000 0.313 252 F C -1.524 174.271 175.800 -0.007 0.000 1.146 252 F CA -0.670 57.328 58.000 -0.004 0.000 0.934 252 F CB 1.032 40.032 39.000 -0.001 0.000 1.283 252 F HN 0.012 nan 8.300 nan 0.000 0.443 253 N N 2.387 120.608 118.700 -0.798 0.000 2.225 253 N HA 0.314 5.056 4.740 0.004 0.000 0.298 253 N C -1.872 173.267 175.510 -0.619 0.000 1.076 253 N CA -0.886 51.865 53.050 -0.498 0.000 0.792 253 N CB 1.997 40.288 38.487 -0.328 0.000 1.498 253 N HN 0.367 nan 8.380 nan 0.000 0.474 254 E N 1.614 121.692 120.200 -0.204 0.000 2.373 254 E HA 0.214 4.566 4.350 0.004 0.000 0.233 254 E C -0.901 175.719 176.600 0.033 0.000 1.035 254 E CA -0.170 56.183 56.400 -0.078 0.000 0.930 254 E CB 0.524 30.189 29.700 -0.060 0.000 1.278 254 E HN 0.606 nan 8.360 nan 0.000 0.452 255 S N 1.876 117.637 115.700 0.102 0.000 3.030 255 S HA -0.237 4.236 4.470 0.004 0.000 0.855 255 S C 0.224 174.920 174.600 0.160 0.000 0.973 255 S CA 0.632 58.912 58.200 0.134 0.000 1.342 255 S CB -0.377 62.858 63.200 0.059 0.000 0.961 255 S HN 0.776 nan 8.310 nan 0.000 0.275 256 Q N 0.890 120.783 119.800 0.155 0.000 2.434 256 Q HA -0.312 4.030 4.340 0.004 0.000 0.366 256 Q C 1.071 177.135 176.000 0.107 0.000 1.398 256 Q CA 1.269 57.158 55.803 0.143 0.000 1.074 256 Q CB -0.312 28.570 28.738 0.240 0.000 1.236 256 Q HN 0.655 nan 8.270 nan 0.000 0.329 257 R N 1.524 122.060 120.500 0.060 0.000 2.133 257 R HA -0.161 4.181 4.340 0.004 0.000 0.245 257 R C 0.819 177.129 176.300 0.016 0.000 1.137 257 R CA 1.829 57.944 56.100 0.026 0.000 0.947 257 R CB -0.413 29.892 30.300 0.007 0.000 0.865 257 R HN 0.954 nan 8.270 nan 0.000 0.437 258 G N 1.284 110.100 108.800 0.026 0.000 2.686 258 G HA2 -0.201 3.761 3.960 0.004 0.000 0.211 258 G HA3 -0.201 3.761 3.960 0.004 0.000 0.211 258 G C -1.023 173.866 174.900 -0.017 0.000 0.829 258 G CA 0.216 45.332 45.100 0.027 0.000 0.993 258 G HN 0.350 nan 8.290 nan 0.000 0.330 259 E N 1.760 121.938 120.200 -0.036 0.000 2.340 259 E HA 0.405 4.757 4.350 0.004 0.000 0.273 259 E C -0.442 176.139 176.600 -0.031 0.000 0.891 259 E CA -0.955 55.376 56.400 -0.114 0.000 0.757 259 E CB 1.770 31.269 29.700 -0.334 0.000 1.231 259 E HN 0.425 nan 8.360 nan 0.000 0.439 260 D N 1.100 121.484 120.400 -0.026 0.000 2.382 260 D HA 0.030 4.672 4.640 0.004 0.000 0.240 260 D C 0.772 177.146 176.300 0.124 0.000 1.146 260 D CA 0.026 54.054 54.000 0.046 0.000 0.897 260 D CB 0.720 41.535 40.800 0.024 0.000 1.197 260 D HN 0.230 nan 8.370 nan 0.000 0.432 261 D N 0.911 121.427 120.400 0.193 0.000 2.190 261 D HA -0.146 4.496 4.640 0.004 0.000 0.200 261 D C 1.966 178.420 176.300 0.256 0.000 0.992 261 D CA 0.809 54.981 54.000 0.286 0.000 0.854 261 D CB 0.104 40.995 40.800 0.153 0.000 0.936 261 D HN 0.372 nan 8.370 nan 0.000 0.462 262 L N 0.416 121.734 121.223 0.159 0.000 2.156 262 L HA -0.096 4.246 4.340 0.004 0.000 0.208 262 L C 2.054 178.976 176.870 0.086 0.000 1.095 262 L CA 1.090 56.030 54.840 0.167 0.000 0.770 262 L CB -0.696 41.461 42.059 0.163 0.000 0.914 262 L HN 0.036 nan 8.230 nan 0.000 0.439 263 T N -0.535 114.017 114.554 -0.003 0.000 3.098 263 T HA -0.104 4.249 4.350 0.004 0.000 0.266 263 T C 1.407 175.977 174.700 -0.216 0.000 1.145 263 T CA 0.946 62.964 62.100 -0.136 0.000 1.092 263 T CB -0.212 68.530 68.868 -0.210 0.000 0.908 263 T HN 0.082 nan 8.240 nan 0.000 0.526 264 F N 1.372 121.302 119.950 -0.034 0.000 2.138 264 F HA 0.262 4.791 4.527 0.004 0.000 0.283 264 F C 2.326 178.068 175.800 -0.097 0.000 1.100 264 F CA 0.646 58.615 58.000 -0.051 0.000 1.189 264 F CB -0.247 38.737 39.000 -0.027 0.000 1.060 264 F HN -0.122 nan 8.300 nan 0.000 0.492 265 K N 0.314 120.793 120.400 0.132 0.000 2.281 265 K HA -0.145 4.178 4.320 0.004 0.000 0.203 265 K C 2.014 178.503 176.600 -0.186 0.000 1.046 265 K CA 0.595 56.860 56.287 -0.036 0.000 0.938 265 K CB -0.245 32.277 32.500 0.038 0.000 0.737 265 K HN 0.207 nan 8.250 nan 0.000 0.458 266 L N 0.238 121.339 121.223 -0.204 0.000 1.989 266 L HA -0.200 4.142 4.340 0.004 0.000 0.211 266 L C 2.473 179.233 176.870 -0.183 0.000 1.071 266 L CA 1.854 56.534 54.840 -0.267 0.000 0.749 266 L CB -1.122 40.795 42.059 -0.236 0.000 0.890 266 L HN 0.217 nan 8.230 nan 0.000 0.431 267 A N -0.506 122.235 122.820 -0.130 0.000 1.972 267 A HA -0.211 4.111 4.320 0.004 0.000 0.219 267 A C 1.914 179.427 177.584 -0.118 0.000 1.169 267 A CA 1.764 53.742 52.037 -0.099 0.000 0.635 267 A CB -0.402 18.560 19.000 -0.064 0.000 0.810 267 A HN 0.392 nan 8.150 nan 0.000 0.446 268 D N -0.047 120.248 120.400 -0.175 0.000 2.097 268 D HA -0.082 4.560 4.640 0.004 0.000 0.197 268 D C 1.908 177.946 176.300 -0.436 0.000 0.984 268 D CA 0.931 54.711 54.000 -0.366 0.000 0.826 268 D CB -0.321 40.136 40.800 -0.572 0.000 0.973 268 D HN 0.478 nan 8.370 nan 0.000 0.460 269 I N 0.688 121.058 120.570 -0.334 0.000 2.099 269 I HA -0.263 3.909 4.170 0.004 0.000 0.239 269 I C 2.531 178.594 176.117 -0.091 0.000 1.066 269 I CA 0.867 62.078 61.300 -0.149 0.000 1.324 269 I CB -0.124 37.780 38.000 -0.159 0.000 1.037 269 I HN -0.006 nan 8.210 nan 0.000 0.401 270 L N 0.389 121.545 121.223 -0.113 0.000 2.201 270 L HA -0.233 4.110 4.340 0.004 0.000 0.212 270 L C 2.520 179.350 176.870 -0.066 0.000 1.105 270 L CA 1.315 56.106 54.840 -0.081 0.000 0.775 270 L CB -0.237 41.770 42.059 -0.088 0.000 0.913 270 L HN 0.198 nan 8.230 nan 0.000 0.440 271 K N -0.475 119.884 120.400 -0.069 0.000 2.076 271 K HA -0.055 4.267 4.320 0.004 0.000 0.204 271 K C 1.748 178.342 176.600 -0.010 0.000 1.051 271 K CA 1.028 57.288 56.287 -0.046 0.000 0.949 271 K CB -0.009 32.467 32.500 -0.040 0.000 0.726 271 K HN 0.301 nan 8.250 nan 0.000 0.443 272 A N 0.936 123.766 122.820 0.017 0.000 2.235 272 A HA -0.024 4.298 4.320 0.004 0.000 0.208 272 A C 1.433 179.059 177.584 0.069 0.000 1.172 272 A CA 0.511 52.601 52.037 0.089 0.000 0.786 272 A CB -0.416 18.731 19.000 0.245 0.000 0.804 272 A HN 0.368 nan 8.150 nan 0.000 0.479 273 N N -0.216 118.501 118.700 0.027 0.000 2.415 273 N HA 0.073 4.815 4.740 0.004 0.000 0.174 273 N C 1.375 176.887 175.510 0.003 0.000 1.048 273 N CA 0.431 53.491 53.050 0.017 0.000 0.895 273 N CB 0.121 38.608 38.487 0.000 0.000 1.036 273 N HN 0.492 nan 8.380 nan 0.000 0.449 274 I N 0.567 121.128 120.570 -0.015 0.000 2.676 274 I HA -0.160 4.013 4.170 0.004 0.000 0.259 274 I C 2.451 178.566 176.117 -0.005 0.000 1.194 274 I CA 0.238 61.523 61.300 -0.026 0.000 1.473 274 I CB -0.258 37.703 38.000 -0.065 0.000 1.096 274 I HN 0.088 nan 8.210 nan 0.000 0.443 275 S N 1.716 117.421 115.700 0.008 0.000 2.378 275 S HA -0.248 4.225 4.470 0.004 0.000 0.229 275 S C 1.953 176.563 174.600 0.016 0.000 1.052 275 S CA 1.908 60.119 58.200 0.018 0.000 1.084 275 S CB -0.205 63.014 63.200 0.033 0.000 0.950 275 S HN 0.315 nan 8.310 nan 0.000 0.440 276 L N 1.402 122.635 121.223 0.016 0.000 2.179 276 L HA 0.180 4.522 4.340 0.004 0.000 0.208 276 L C 2.500 179.381 176.870 0.019 0.000 1.096 276 L CA 1.525 56.370 54.840 0.009 0.000 0.779 276 L CB -0.859 41.204 42.059 0.006 0.000 0.922 276 L HN 0.370 nan 8.230 nan 0.000 0.443 277 E N -0.928 119.299 120.200 0.045 0.000 2.171 277 E HA -0.209 4.144 4.350 0.004 0.000 0.197 277 E C 1.725 178.427 176.600 0.170 0.000 0.997 277 E CA 1.737 58.207 56.400 0.116 0.000 0.810 277 E CB -0.185 29.561 29.700 0.077 0.000 0.738 277 E HN 0.480 nan 8.360 nan 0.000 0.467 278 T N 0.673 115.275 114.554 0.080 0.000 3.054 278 T HA 0.079 4.431 4.350 0.004 0.000 0.259 278 T C 1.284 176.014 174.700 0.050 0.000 1.092 278 T CA 0.444 62.585 62.100 0.069 0.000 1.121 278 T CB 0.188 69.074 68.868 0.030 0.000 0.912 278 T HN 0.074 nan 8.240 nan 0.000 0.489 279 L N 0.909 122.144 121.223 0.021 0.000 2.912 279 L HA 0.409 4.751 4.340 0.004 0.000 0.240 279 L C 1.222 178.064 176.870 -0.046 0.000 1.262 279 L CA 0.257 55.095 54.840 -0.004 0.000 1.058 279 L CB -0.154 41.902 42.059 -0.005 0.000 1.383 279 L HN 0.228 nan 8.230 nan 0.000 0.512 280 E N -1.728 118.418 120.200 -0.090 0.000 2.879 280 E HA 0.043 4.395 4.350 0.004 0.000 0.206 280 E C 1.506 177.950 176.600 -0.259 0.000 0.969 280 E CA -0.185 56.082 56.400 -0.221 0.000 1.496 280 E CB 0.474 29.955 29.700 -0.364 0.000 1.454 280 E HN 0.443 nan 8.360 nan 0.000 0.750 281 H N 0.529 119.598 119.070 -0.000 0.000 2.355 281 H HA 0.154 4.712 4.556 0.004 0.000 0.303 281 H C 1.311 176.640 175.328 0.002 0.000 1.061 281 H CA 0.898 56.947 56.048 0.001 0.000 1.368 281 H CB 0.229 29.990 29.762 -0.002 0.000 1.412 281 H HN 0.034 nan 8.280 nan 0.000 0.523 282 N N 0.682 119.458 118.700 0.127 0.000 2.272 282 N HA 0.010 4.752 4.740 0.004 0.000 0.195 282 N C 1.376 176.910 175.510 0.040 0.000 1.048 282 N CA 0.831 53.924 53.050 0.071 0.000 0.912 282 N CB -0.656 37.867 38.487 0.060 0.000 1.096 282 N HN 0.203 nan 8.380 nan 0.000 0.471 283 G N -1.346 107.473 108.800 0.031 0.000 2.502 283 G HA2 0.573 4.536 3.960 0.004 0.000 0.305 283 G HA3 0.573 4.536 3.960 0.004 0.000 0.305 283 G C -0.918 173.990 174.900 0.014 0.000 1.190 283 G CA -0.008 45.106 45.100 0.023 0.000 0.933 283 G HN 0.408 nan 8.290 nan 0.000 0.503 284 A N 0.979 123.810 122.820 0.017 0.000 3.464 284 A HA 0.579 4.901 4.320 0.004 0.000 0.243 284 A C -2.120 175.483 177.584 0.032 0.000 1.100 284 A CA -0.704 51.340 52.037 0.012 0.000 0.957 284 A CB 0.022 19.024 19.000 0.004 0.000 1.340 284 A HN 0.534 nan 8.150 nan 0.000 0.645 285 P HA 0.275 nan 4.420 nan 0.000 0.286 285 P C 1.057 178.422 177.300 0.108 0.000 1.293 285 P CA -0.408 62.742 63.100 0.084 0.000 0.770 285 P CB 0.572 32.322 31.700 0.082 0.000 1.206 286 H N -0.288 118.831 119.070 0.082 0.000 2.266 286 H HA -0.064 4.494 4.556 0.004 0.000 0.308 286 H C -0.085 175.298 175.328 0.092 0.000 1.057 286 H CA 1.117 57.234 56.048 0.114 0.000 1.330 286 H CB -0.296 29.561 29.762 0.158 0.000 1.400 286 H HN 0.364 nan 8.280 nan 0.000 0.503 287 H N -0.828 118.307 119.070 0.107 0.000 2.939 287 H HA -0.111 4.447 4.556 0.004 0.000 0.313 287 H C -0.602 174.797 175.328 0.119 0.000 0.949 287 H CA 0.538 56.698 56.048 0.187 0.000 1.000 287 H CB -1.261 28.674 29.762 0.287 0.000 1.600 287 H HN 0.520 nan 8.280 nan 0.000 0.344 288 A N 4.306 127.198 122.820 0.120 0.000 2.838 288 A HA 0.478 4.800 4.320 0.004 0.000 0.337 288 A C 1.027 178.583 177.584 -0.046 0.000 1.383 288 A CA -0.453 51.588 52.037 0.006 0.000 0.985 288 A CB 0.106 19.123 19.000 0.028 0.000 1.157 288 A HN 0.577 nan 8.150 nan 0.000 0.497 289 I N -0.269 120.242 120.570 -0.099 0.000 3.812 289 I HA 0.025 4.197 4.170 0.004 0.000 0.292 289 I C 1.721 177.769 176.117 -0.115 0.000 1.206 289 I CA 0.307 61.556 61.300 -0.086 0.000 1.370 289 I CB 0.218 38.173 38.000 -0.076 0.000 1.328 289 I HN 0.581 nan 8.210 nan 0.000 0.453 290 E N 1.398 121.486 120.200 -0.187 0.000 2.463 290 E HA -0.210 4.143 4.350 0.004 0.000 0.201 290 E C 1.190 177.697 176.600 -0.155 0.000 1.045 290 E CA 0.920 57.219 56.400 -0.167 0.000 0.872 290 E CB 0.013 29.593 29.700 -0.200 0.000 0.797 290 E HN 0.530 nan 8.360 nan 0.000 0.538 291 E N -0.234 119.861 120.200 -0.176 0.000 2.431 291 E HA 0.106 4.459 4.350 0.004 0.000 0.200 291 E C 1.754 178.318 176.600 -0.059 0.000 0.995 291 E CA 0.418 56.749 56.400 -0.115 0.000 0.915 291 E CB 0.392 30.021 29.700 -0.118 0.000 0.930 291 E HN 0.204 nan 8.360 nan 0.000 0.496 292 A N 1.349 124.142 122.820 -0.045 0.000 1.943 292 A HA -0.079 4.243 4.320 0.004 0.000 0.213 292 A C 1.772 179.364 177.584 0.012 0.000 1.181 292 A CA 0.633 52.665 52.037 -0.009 0.000 0.653 292 A CB -0.130 18.867 19.000 -0.004 0.000 0.833 292 A HN 0.052 nan 8.150 nan 0.000 0.451 293 E N 0.713 120.915 120.200 0.003 0.000 2.401 293 E HA -0.118 4.235 4.350 0.004 0.000 0.199 293 E C 2.003 178.636 176.600 0.055 0.000 1.023 293 E CA 1.079 57.496 56.400 0.029 0.000 0.859 293 E CB -0.059 29.652 29.700 0.019 0.000 0.780 293 E HN 0.814 nan 8.360 nan 0.000 0.523 294 S N 0.077 115.798 115.700 0.035 0.000 2.412 294 S HA 0.002 4.474 4.470 0.004 0.000 0.223 294 S C 1.182 175.820 174.600 0.063 0.000 1.048 294 S CA 0.000 58.227 58.200 0.044 0.000 0.954 294 S CB 0.090 63.288 63.200 -0.004 0.000 0.840 294 S HN 0.038 nan 8.310 nan 0.000 0.503 295 L N 2.016 123.251 121.223 0.018 0.000 2.998 295 L HA 0.514 4.856 4.340 0.004 0.000 0.234 295 L C 0.465 177.389 176.870 0.091 0.000 1.350 295 L CA 0.179 55.032 54.840 0.022 0.000 1.202 295 L CB 0.076 42.087 42.059 -0.080 0.000 1.583 295 L HN 0.393 nan 8.230 nan 0.000 0.456 296 L N -1.478 119.819 121.223 0.124 0.000 3.406 296 L HA 0.189 4.532 4.340 0.004 0.000 0.309 296 L C 1.680 178.635 176.870 0.141 0.000 1.159 296 L CA 0.635 55.566 54.840 0.151 0.000 1.122 296 L CB 0.230 42.353 42.059 0.107 0.000 1.633 296 L HN 0.292 nan 8.230 nan 0.000 0.607 297 Q N -1.068 118.820 119.800 0.147 0.000 2.302 297 Q HA -0.035 4.307 4.340 0.004 0.000 0.202 297 Q C 1.825 177.923 176.000 0.165 0.000 0.936 297 Q CA 1.551 57.450 55.803 0.161 0.000 0.886 297 Q CB -0.201 28.654 28.738 0.195 0.000 0.986 297 Q HN 0.469 nan 8.270 nan 0.000 0.487 298 F N -0.042 119.908 119.950 0.001 0.000 2.146 298 F HA -0.090 4.440 4.527 0.004 0.000 0.298 298 F C 1.618 177.411 175.800 -0.011 0.000 1.096 298 F CA 1.977 59.948 58.000 -0.048 0.000 1.275 298 F CB -0.271 38.641 39.000 -0.147 0.000 1.008 298 F HN 0.220 nan 8.300 nan 0.000 0.480 299 H N -1.200 117.822 119.070 -0.079 0.000 2.389 299 H HA -0.076 4.483 4.556 0.004 0.000 0.299 299 H C 2.124 177.402 175.328 -0.083 0.000 1.081 299 H CA 1.448 57.401 56.048 -0.160 0.000 1.345 299 H CB 0.004 29.759 29.762 -0.012 0.000 1.393 299 H HN 0.170 nan 8.280 nan 0.000 0.520 300 V N 0.483 120.463 119.914 0.110 0.000 3.041 300 V HA -0.098 4.024 4.120 0.004 0.000 0.260 300 V C 2.301 178.436 176.094 0.069 0.000 1.105 300 V CA 0.984 63.361 62.300 0.127 0.000 1.125 300 V CB -0.541 31.349 31.823 0.111 0.000 0.730 300 V HN 0.484 nan 8.190 nan 0.000 0.479 301 A N 0.998 123.811 122.820 -0.011 0.000 1.821 301 A HA -0.167 4.155 4.320 0.004 0.000 0.215 301 A C 2.429 179.954 177.584 -0.098 0.000 1.214 301 A CA 2.386 54.385 52.037 -0.064 0.000 0.608 301 A CB -1.305 17.666 19.000 -0.048 0.000 0.862 301 A HN 0.421 nan 8.150 nan 0.000 0.448 302 T N -0.787 113.653 114.554 -0.191 0.000 2.620 302 T HA -0.300 4.052 4.350 0.004 0.000 0.267 302 T C 1.789 176.464 174.700 -0.041 0.000 1.044 302 T CA 2.139 64.143 62.100 -0.160 0.000 1.161 302 T CB -0.711 67.982 68.868 -0.292 0.000 0.862 302 T HN 0.545 nan 8.240 nan 0.000 0.438 303 Y N 1.150 121.391 120.300 -0.099 0.000 2.139 303 Y HA -0.241 4.311 4.550 0.004 0.000 0.282 303 Y C 2.394 178.277 175.900 -0.029 0.000 1.179 303 Y CA 1.595 59.668 58.100 -0.045 0.000 1.161 303 Y CB -0.492 37.951 38.460 -0.028 0.000 0.970 303 Y HN 0.101 nan 8.280 nan 0.000 0.511 304 M N -0.025 119.433 119.600 -0.236 0.000 2.123 304 M HA 0.039 4.522 4.480 0.004 0.000 0.263 304 M C -0.372 175.833 176.300 -0.158 0.000 1.069 304 M CA 1.785 56.906 55.300 -0.298 0.000 1.133 304 M CB -0.000 32.441 32.600 -0.264 0.000 1.356 304 M HN 0.397 nan 8.290 nan 0.000 0.415 305 D N -0.803 119.534 120.400 -0.104 0.000 2.769 305 D HA 0.262 4.904 4.640 0.004 0.000 0.219 305 D C -1.784 174.485 176.300 -0.051 0.000 1.245 305 D CA -0.593 53.378 54.000 -0.049 0.000 0.801 305 D CB 0.794 41.600 40.800 0.010 0.000 1.598 305 D HN 0.413 nan 8.370 nan 0.000 0.485 306 N N 1.626 120.305 118.700 -0.036 0.000 2.558 306 N HA 0.544 5.287 4.740 0.004 0.000 0.285 306 N C -1.787 173.717 175.510 -0.010 0.000 1.112 306 N CA -0.720 52.314 53.050 -0.026 0.000 0.857 306 N CB 1.698 40.163 38.487 -0.037 0.000 1.376 306 N HN 0.191 nan 8.380 nan 0.000 0.526 307 D N 2.295 122.695 120.400 -0.000 0.000 2.950 307 D HA 0.201 4.843 4.640 0.004 0.000 0.212 307 D C -1.382 174.922 176.300 0.006 0.000 1.398 307 D CA -0.132 53.869 54.000 0.002 0.000 1.198 307 D CB 0.055 40.851 40.800 -0.005 0.000 1.369 307 D HN 0.555 nan 8.370 nan 0.000 0.624 308 I N -0.956 119.622 120.570 0.013 0.000 3.617 308 I HA 0.889 5.061 4.170 0.004 0.000 0.302 308 I C -0.442 175.685 176.117 0.017 0.000 1.193 308 I CA -1.471 59.838 61.300 0.014 0.000 1.095 308 I CB 0.293 38.302 38.000 0.015 0.000 1.333 308 I HN 0.078 nan 8.210 nan 0.000 0.454 309 A N 0.566 123.396 122.820 0.016 0.000 2.260 309 A HA 0.683 5.006 4.320 0.004 0.000 0.314 309 A C 0.440 178.037 177.584 0.022 0.000 1.257 309 A CA -0.002 52.044 52.037 0.015 0.000 0.871 309 A CB -0.545 18.460 19.000 0.008 0.000 1.166 309 A HN 2.151 nan 8.150 nan 0.000 0.522 310 G N 1.531 110.344 108.800 0.023 0.000 2.734 310 G HA2 0.340 4.302 3.960 0.004 0.000 0.277 310 G HA3 0.340 4.302 3.960 0.004 0.000 0.277 310 G C -0.224 174.713 174.900 0.062 0.000 1.099 310 G CA 0.686 45.802 45.100 0.026 0.000 1.218 310 G HN 2.586 nan 8.290 nan 0.000 0.554 311 Q N -0.281 119.559 119.800 0.068 0.000 2.205 311 Q HA 0.029 4.371 4.340 0.004 0.000 0.245 311 Q C -2.547 173.470 176.000 0.029 0.000 0.934 311 Q CA 0.784 56.610 55.803 0.039 0.000 0.423 311 Q CB -0.979 27.773 28.738 0.022 0.000 0.509 311 Q HN 0.723 nan 8.270 nan 0.000 0.320 312 P HA 0.178 nan 4.420 nan 0.000 0.215 312 P C -0.334 176.998 177.300 0.053 0.000 1.872 312 P CA -0.411 62.710 63.100 0.035 0.000 0.996 312 P CB 0.575 32.287 31.700 0.020 0.000 1.772 313 Q N 1.724 121.579 119.800 0.093 0.000 2.793 313 Q HA 0.140 4.483 4.340 0.004 0.000 0.220 313 Q C -0.757 175.295 176.000 0.088 0.000 1.123 313 Q CA 0.348 56.237 55.803 0.144 0.000 1.073 313 Q CB 0.337 29.265 28.738 0.317 0.000 1.315 313 Q HN 0.209 nan 8.270 nan 0.000 0.619 314 A N 3.055 125.919 122.820 0.073 0.000 3.204 314 A HA 0.343 4.665 4.320 0.004 0.000 0.327 314 A C -0.242 177.384 177.584 0.070 0.000 0.998 314 A CA -0.707 51.401 52.037 0.118 0.000 0.891 314 A CB 0.060 19.081 19.000 0.034 0.000 1.061 314 A HN 0.539 nan 8.150 nan 0.000 0.478 315 L N 0.372 121.627 121.223 0.054 0.000 2.558 315 L HA -0.076 4.266 4.340 0.004 0.000 0.301 315 L C 1.314 178.184 176.870 0.000 0.000 1.267 315 L CA 0.842 55.691 54.840 0.016 0.000 0.854 315 L CB -0.194 41.872 42.059 0.012 0.000 1.103 315 L HN 0.646 nan 8.230 nan 0.000 0.522 316 Q N 2.188 121.954 119.800 -0.056 0.000 2.178 316 Q HA 0.041 4.383 4.340 0.004 0.000 0.197 316 Q C 1.485 177.410 176.000 -0.124 0.000 0.998 316 Q CA 0.834 56.563 55.803 -0.125 0.000 0.845 316 Q CB 0.195 28.782 28.738 -0.253 0.000 0.943 316 Q HN 0.663 nan 8.270 nan 0.000 0.514 317 K N -1.580 118.731 120.400 -0.150 0.000 2.418 317 K HA 0.262 4.584 4.320 0.004 0.000 0.208 317 K C 1.678 178.235 176.600 -0.071 0.000 1.261 317 K CA 1.025 57.245 56.287 -0.111 0.000 0.874 317 K CB -0.067 32.344 32.500 -0.147 0.000 1.451 317 K HN 0.108 nan 8.250 nan 0.000 0.466 318 S N -0.205 115.451 115.700 -0.075 0.000 2.761 318 S HA 0.262 4.734 4.470 0.004 0.000 0.273 318 S C 0.821 175.395 174.600 -0.043 0.000 1.073 318 S CA 0.310 58.481 58.200 -0.048 0.000 1.048 318 S CB -0.206 62.970 63.200 -0.041 0.000 0.955 318 S HN 0.521 nan 8.310 nan 0.000 0.500 319 G N 2.374 111.141 108.800 -0.055 0.000 2.750 319 G HA2 0.300 4.262 3.960 0.004 0.000 0.250 319 G HA3 0.300 4.262 3.960 0.004 0.000 0.250 319 G C 0.231 175.110 174.900 -0.034 0.000 1.230 319 G CA -0.327 44.747 45.100 -0.042 0.000 0.883 319 G HN 0.346 nan 8.290 nan 0.000 0.573 320 R N 0.153 120.639 120.500 -0.023 0.000 3.255 320 R HA 0.090 4.432 4.340 0.004 0.000 0.268 320 R C -1.781 174.509 176.300 -0.017 0.000 1.121 320 R CA -0.717 55.373 56.100 -0.016 0.000 1.133 320 R CB -1.104 29.189 30.300 -0.012 0.000 1.038 320 R HN 0.312 nan 8.270 nan 0.000 0.523 321 P HA -0.010 nan 4.420 nan 0.000 0.275 321 P C 0.691 177.987 177.300 -0.007 0.000 1.270 321 P CA -0.016 63.081 63.100 -0.004 0.000 0.791 321 P CB 0.253 31.954 31.700 0.002 0.000 1.089 322 V N -4.100 115.813 119.914 -0.002 0.000 3.541 322 V HA 0.082 4.205 4.120 0.004 0.000 0.267 322 V C 1.342 177.442 176.094 0.011 0.000 1.213 322 V CA 0.609 62.916 62.300 0.012 0.000 1.149 322 V CB -1.370 30.471 31.823 0.030 0.000 0.822 322 V HN 0.470 nan 8.190 nan 0.000 0.462 323 K N 0.466 120.865 120.400 -0.002 0.000 3.557 323 K HA -0.314 4.008 4.320 0.004 0.000 0.292 323 K C 0.517 177.105 176.600 -0.021 0.000 1.167 323 K CA 1.488 57.768 56.287 -0.011 0.000 1.048 323 K CB -1.683 30.811 32.500 -0.010 0.000 1.368 323 K HN 1.449 nan 8.250 nan 0.000 0.425 324 S N -1.964 113.727 115.700 -0.016 0.000 3.976 324 S HA -0.207 4.265 4.470 0.004 0.000 0.652 324 S C 1.075 175.633 174.600 -0.069 0.000 1.522 324 S CA 0.526 58.699 58.200 -0.046 0.000 1.667 324 S CB -1.206 61.953 63.200 -0.067 0.000 0.332 324 S HN 0.319 nan 8.310 nan 0.000 1.594 325 I N 1.532 122.018 120.570 -0.140 0.000 2.439 325 I HA -0.087 4.085 4.170 0.004 0.000 0.251 325 I C 2.722 178.783 176.117 -0.092 0.000 1.139 325 I CA 1.190 62.415 61.300 -0.126 0.000 1.438 325 I CB -0.532 37.344 38.000 -0.207 0.000 1.085 325 I HN 0.559 nan 8.210 nan 0.000 0.427 326 R N 1.902 122.350 120.500 -0.087 0.000 2.117 326 R HA -0.159 4.184 4.340 0.004 0.000 0.243 326 R C 1.621 177.876 176.300 -0.075 0.000 1.143 326 R CA 1.915 57.970 56.100 -0.076 0.000 0.968 326 R CB -0.089 30.189 30.300 -0.036 0.000 0.863 326 R HN 0.380 nan 8.270 nan 0.000 0.444 327 A N -0.279 122.507 122.820 -0.057 0.000 2.545 327 A HA 0.218 4.541 4.320 0.004 0.000 0.277 327 A C 1.544 179.105 177.584 -0.039 0.000 1.301 327 A CA -0.386 51.622 52.037 -0.048 0.000 0.935 327 A CB 0.068 19.045 19.000 -0.038 0.000 1.093 327 A HN 0.181 nan 8.150 nan 0.000 0.519 328 R N -0.738 119.738 120.500 -0.040 0.000 2.161 328 R HA 0.205 4.548 4.340 0.004 0.000 0.213 328 R C 1.105 177.384 176.300 -0.034 0.000 1.055 328 R CA 0.768 56.851 56.100 -0.029 0.000 0.996 328 R CB 0.001 30.287 30.300 -0.022 0.000 0.901 328 R HN 0.535 nan 8.270 nan 0.000 0.456 329 L N 0.018 121.210 121.223 -0.051 0.000 2.463 329 L HA 0.124 4.466 4.340 0.004 0.000 0.219 329 L C 0.902 177.733 176.870 -0.064 0.000 1.088 329 L CA 0.031 54.836 54.840 -0.057 0.000 0.849 329 L CB -0.003 42.007 42.059 -0.081 0.000 1.012 329 L HN -0.041 nan 8.230 nan 0.000 0.468 330 K N 2.028 122.387 120.400 -0.068 0.000 2.484 330 K HA 0.056 4.379 4.320 0.004 0.000 0.280 330 K C 0.534 177.098 176.600 -0.060 0.000 1.013 330 K CA 0.079 56.323 56.287 -0.071 0.000 1.029 330 K CB 0.592 33.053 32.500 -0.066 0.000 0.902 330 K HN 0.095 nan 8.250 nan 0.000 0.481 331 G N 2.932 111.692 108.800 -0.067 0.000 2.720 331 G HA2 -0.038 3.925 3.960 0.004 0.000 0.237 331 G HA3 -0.038 3.925 3.960 0.004 0.000 0.237 331 G C -0.511 174.358 174.900 -0.052 0.000 1.239 331 G CA -0.155 44.910 45.100 -0.059 0.000 0.847 331 G HN 0.724 nan 8.290 nan 0.000 0.593 332 K N 0.328 120.704 120.400 -0.040 0.000 6.692 332 K HA -0.168 4.155 4.320 0.004 0.000 0.775 332 K C 0.816 177.400 176.600 -0.027 0.000 2.128 332 K CA 1.107 57.375 56.287 -0.032 0.000 1.684 332 K CB -0.999 31.477 32.500 -0.041 0.000 1.997 332 K HN 1.021 nan 8.250 nan 0.000 0.306 333 E N -1.832 118.357 120.200 -0.019 0.000 3.680 333 E HA -0.269 4.083 4.350 0.004 0.000 0.309 333 E C 0.898 177.488 176.600 -0.016 0.000 0.793 333 E CA 1.820 58.211 56.400 -0.015 0.000 1.083 333 E CB -1.546 28.144 29.700 -0.016 0.000 1.548 333 E HN 0.791 nan 8.360 nan 0.000 0.456 334 G N 0.464 109.251 108.800 -0.021 0.000 2.485 334 G HA2 0.218 4.180 3.960 0.004 0.000 0.260 334 G HA3 0.218 4.180 3.960 0.004 0.000 0.260 334 G C 0.749 175.639 174.900 -0.016 0.000 1.459 334 G CA 0.373 45.459 45.100 -0.024 0.000 1.060 334 G HN 0.089 nan 8.290 nan 0.000 0.546 335 R N -1.495 118.994 120.500 -0.018 0.000 2.246 335 R HA 0.293 4.635 4.340 0.004 0.000 0.199 335 R C 1.977 178.274 176.300 -0.006 0.000 0.984 335 R CA 0.782 56.876 56.100 -0.009 0.000 1.015 335 R CB -0.157 30.137 30.300 -0.009 0.000 0.930 335 R HN 0.538 nan 8.270 nan 0.000 0.475 336 I N -1.349 119.214 120.570 -0.011 0.000 3.132 336 I HA 0.136 4.308 4.170 0.004 0.000 0.255 336 I C 1.111 177.227 176.117 -0.001 0.000 1.118 336 I CA -0.214 61.083 61.300 -0.004 0.000 1.463 336 I CB 0.025 38.020 38.000 -0.009 0.000 1.356 336 I HN -0.069 nan 8.210 nan 0.000 0.463 337 R N 1.643 122.138 120.500 -0.008 0.000 4.680 337 R HA 0.189 4.531 4.340 0.004 0.000 0.222 337 R C 0.293 176.590 176.300 -0.005 0.000 1.803 337 R CA 0.527 56.625 56.100 -0.004 0.000 1.560 337 R CB -0.336 29.957 30.300 -0.013 0.000 1.412 337 R HN 0.565 nan 8.270 nan 0.000 0.815 338 G N 0.265 109.065 108.800 -0.001 0.000 4.111 338 G HA2 -0.114 3.849 3.960 0.004 0.000 0.216 338 G HA3 -0.114 3.849 3.960 0.004 0.000 0.216 338 G C 0.419 175.321 174.900 0.003 0.000 0.822 338 G CA -0.434 44.666 45.100 -0.000 0.000 0.845 338 G HN 0.380 nan 8.290 nan 0.000 0.533 339 N N -0.300 118.402 118.700 0.003 0.000 2.145 339 N HA 0.352 5.095 4.740 0.004 0.000 0.219 339 N C 1.437 176.952 175.510 0.009 0.000 1.266 339 N CA 0.189 53.243 53.050 0.006 0.000 0.902 339 N CB 1.141 39.631 38.487 0.005 0.000 1.078 339 N HN 0.343 nan 8.380 nan 0.000 0.513 340 L N -0.392 120.837 121.223 0.009 0.000 2.678 340 L HA 0.298 4.640 4.340 0.004 0.000 0.211 340 L C 1.490 178.366 176.870 0.011 0.000 1.043 340 L CA 0.163 55.010 54.840 0.011 0.000 0.881 340 L CB 0.028 42.095 42.059 0.013 0.000 1.361 340 L HN -0.073 nan 8.230 nan 0.000 0.484 341 M N 0.105 119.712 119.600 0.011 0.000 2.619 341 M HA 0.223 4.706 4.480 0.004 0.000 0.251 341 M C 0.491 176.796 176.300 0.008 0.000 1.106 341 M CA 0.518 55.825 55.300 0.012 0.000 1.086 341 M CB -0.526 32.084 32.600 0.017 0.000 1.465 341 M HN 0.251 nan 8.290 nan 0.000 0.506 342 G N 1.151 109.957 108.800 0.009 0.000 2.167 342 G HA2 0.307 4.269 3.960 0.004 0.000 0.300 342 G HA3 0.307 4.269 3.960 0.004 0.000 0.300 342 G C -0.770 174.138 174.900 0.015 0.000 1.842 342 G CA -0.774 44.332 45.100 0.010 0.000 1.035 342 G HN 0.147 nan 8.290 nan 0.000 0.489 343 K N 1.143 121.555 120.400 0.020 0.000 2.109 343 K HA 0.581 4.903 4.320 0.004 0.000 0.243 343 K C 0.352 176.973 176.600 0.036 0.000 1.006 343 K CA -0.845 55.457 56.287 0.025 0.000 0.917 343 K CB 1.694 34.211 32.500 0.028 0.000 1.081 343 K HN 0.309 nan 8.250 nan 0.000 0.468 344 R N 0.930 121.450 120.500 0.032 0.000 2.441 344 R HA 0.273 4.616 4.340 0.004 0.000 0.284 344 R C -0.176 176.153 176.300 0.049 0.000 1.070 344 R CA -0.521 55.602 56.100 0.038 0.000 1.047 344 R CB 0.791 31.103 30.300 0.019 0.000 1.016 344 R HN 0.449 nan 8.270 nan 0.000 0.477 345 V N -1.497 118.459 119.914 0.070 0.000 3.040 345 V HA 0.463 4.585 4.120 0.004 0.000 0.312 345 V C -0.678 175.450 176.094 0.057 0.000 1.115 345 V CA -1.238 61.118 62.300 0.094 0.000 0.998 345 V CB 2.188 34.116 31.823 0.175 0.000 1.042 345 V HN 0.591 nan 8.190 nan 0.000 0.433 346 D N 0.670 121.101 120.400 0.051 0.000 2.478 346 D HA 0.615 5.257 4.640 0.004 0.000 0.269 346 D C -0.232 176.092 176.300 0.040 0.000 1.232 346 D CA -0.358 53.572 54.000 -0.116 0.000 1.059 346 D CB -0.084 40.488 40.800 -0.379 0.000 1.104 346 D HN 0.704 nan 8.370 nan 0.000 0.566 347 F N -0.910 119.049 119.950 0.015 0.000 2.891 347 F HA -0.196 4.333 4.527 0.004 0.000 0.272 347 F C 0.107 175.911 175.800 0.006 0.000 1.004 347 F CA 0.225 58.242 58.000 0.028 0.000 0.938 347 F CB -1.958 37.076 39.000 0.057 0.000 0.939 347 F HN 0.276 nan 8.300 nan 0.000 0.833 348 S N -0.913 114.800 115.700 0.021 0.000 2.579 348 S HA 1.013 5.486 4.470 0.004 0.000 0.272 348 S C -0.481 174.092 174.600 -0.044 0.000 1.141 348 S CA -0.304 57.832 58.200 -0.107 0.000 0.843 348 S CB 2.621 65.662 63.200 -0.265 0.000 1.122 348 S HN 1.289 nan 8.310 nan 0.000 0.468 349 A N 0.841 123.645 122.820 -0.027 0.000 2.535 349 A HA 1.001 5.324 4.320 0.004 0.000 0.296 349 A C -0.730 176.932 177.584 0.130 0.000 1.248 349 A CA -1.001 51.106 52.037 0.117 0.000 0.686 349 A CB 1.457 20.640 19.000 0.304 0.000 1.315 349 A HN 1.285 nan 8.150 nan 0.000 0.460 350 R N -1.245 119.446 120.500 0.318 0.000 3.513 350 R HA 0.538 4.880 4.340 0.004 0.000 0.243 350 R C -1.900 174.643 176.300 0.406 0.000 1.033 350 R CA 0.244 56.519 56.100 0.291 0.000 1.083 350 R CB 1.189 31.545 30.300 0.093 0.000 1.246 350 R HN 1.086 nan 8.270 nan 0.000 0.526 351 T N 1.603 116.436 114.554 0.466 0.000 2.770 351 T HA 0.216 4.569 4.350 0.004 0.000 0.323 351 T C -1.101 173.771 174.700 0.288 0.000 1.683 351 T CA -0.484 61.798 62.100 0.303 0.000 1.024 351 T CB 1.368 70.315 68.868 0.131 0.000 1.557 351 T HN 0.324 nan 8.240 nan 0.000 0.494 352 V N 2.838 122.850 119.914 0.164 0.000 2.953 352 V HA 0.165 4.287 4.120 0.004 0.000 0.304 352 V C 0.570 176.782 176.094 0.198 0.000 1.138 352 V CA 0.440 62.827 62.300 0.146 0.000 1.266 352 V CB -0.429 31.451 31.823 0.096 0.000 0.923 352 V HN 0.688 nan 8.190 nan 0.000 0.505 353 I N 1.672 122.367 120.570 0.209 0.000 2.603 353 I HA 0.943 5.116 4.170 0.004 0.000 0.300 353 I C -0.147 176.100 176.117 0.217 0.000 1.017 353 I CA -0.326 61.126 61.300 0.253 0.000 1.098 353 I CB 2.417 40.601 38.000 0.307 0.000 1.279 353 I HN 0.655 nan 8.210 nan 0.000 0.437 354 S N 2.386 118.047 115.700 -0.064 0.000 2.579 354 S HA 0.792 5.264 4.470 0.004 0.000 0.272 354 S C -0.296 173.723 174.600 -0.969 0.000 1.141 354 S CA -0.686 57.141 58.200 -0.621 0.000 0.843 354 S CB 1.111 64.120 63.200 -0.318 0.000 1.122 354 S HN 1.131 nan 8.310 nan 0.000 0.468 355 G N -0.052 107.843 108.800 -1.508 0.000 2.444 355 G HA2 0.518 4.481 3.960 0.004 0.000 0.268 355 G HA3 0.518 4.481 3.960 0.004 0.000 0.268 355 G C -1.281 173.391 174.900 -0.380 0.000 1.203 355 G CA -0.186 44.367 45.100 -0.911 0.000 0.835 355 G HN 0.657 nan 8.290 nan 0.000 0.543 356 D N 1.618 121.904 120.400 -0.189 0.000 2.476 356 D HA 0.320 4.962 4.640 0.004 0.000 0.251 356 D C -1.850 174.423 176.300 -0.046 0.000 1.291 356 D CA -1.681 52.251 54.000 -0.114 0.000 0.939 356 D CB 2.549 43.287 40.800 -0.103 0.000 1.221 356 D HN 0.002 nan 8.370 nan 0.000 0.567 357 P HA 0.028 nan 4.420 nan 0.000 0.225 357 P C 0.452 177.749 177.300 -0.005 0.000 1.148 357 P CA 0.674 63.766 63.100 -0.014 0.000 0.779 357 P CB 0.432 32.116 31.700 -0.026 0.000 0.780 358 N N -1.481 117.221 118.700 0.003 0.000 2.200 358 N HA 0.151 4.894 4.740 0.004 0.000 0.224 358 N C 0.241 175.771 175.510 0.034 0.000 1.179 358 N CA -0.020 53.054 53.050 0.040 0.000 0.877 358 N CB 0.607 39.141 38.487 0.078 0.000 1.072 358 N HN 0.214 nan 8.380 nan 0.000 0.519 359 L N 0.762 121.993 121.223 0.013 0.000 2.439 359 L HA 0.238 4.580 4.340 0.004 0.000 0.259 359 L C 0.697 177.589 176.870 0.037 0.000 1.129 359 L CA -0.416 54.432 54.840 0.014 0.000 0.803 359 L CB 0.939 42.993 42.059 -0.008 0.000 1.161 359 L HN -0.105 nan 8.230 nan 0.000 0.462 360 E N 0.731 120.954 120.200 0.038 0.000 2.283 360 E HA 0.087 4.440 4.350 0.004 0.000 0.271 360 E C 0.544 177.175 176.600 0.052 0.000 1.031 360 E CA -0.445 55.986 56.400 0.052 0.000 0.868 360 E CB 1.764 31.492 29.700 0.047 0.000 1.094 360 E HN 0.389 nan 8.360 nan 0.000 0.401 361 L N 2.456 123.706 121.223 0.045 0.000 1.989 361 L HA -0.214 4.128 4.340 0.004 0.000 0.211 361 L C 1.414 178.289 176.870 0.008 0.000 1.071 361 L CA 2.244 57.084 54.840 -0.002 0.000 0.749 361 L CB -0.320 41.700 42.059 -0.064 0.000 0.890 361 L HN 0.525 nan 8.230 nan 0.000 0.431 362 D N -1.545 118.841 120.400 -0.025 0.000 2.363 362 D HA -0.082 4.561 4.640 0.004 0.000 0.226 362 D C 0.776 177.104 176.300 0.047 0.000 1.020 362 D CA 0.214 54.148 54.000 -0.110 0.000 0.892 362 D CB -0.257 40.476 40.800 -0.112 0.000 0.900 362 D HN 0.525 nan 8.370 nan 0.000 0.531 363 Q N -0.532 119.348 119.800 0.132 0.000 2.162 363 Q HA 0.579 4.922 4.340 0.004 0.000 0.197 363 Q C -0.964 175.100 176.000 0.106 0.000 1.013 363 Q CA -0.942 54.930 55.803 0.115 0.000 1.040 363 Q CB 2.317 31.079 28.738 0.040 0.000 1.114 363 Q HN -0.002 nan 8.270 nan 0.000 0.547 364 V N -0.096 119.777 119.914 -0.067 0.000 2.818 364 V HA 0.348 4.470 4.120 0.004 0.000 0.283 364 V C -1.078 174.928 176.094 -0.146 0.000 1.366 364 V CA -0.434 61.703 62.300 -0.271 0.000 0.934 364 V CB 1.636 33.090 31.823 -0.617 0.000 1.100 364 V HN 0.816 nan 8.190 nan 0.000 0.447 365 G N 5.122 113.856 108.800 -0.111 0.000 2.360 365 G HA2 0.499 4.462 3.960 0.004 0.000 0.279 365 G HA3 0.499 4.462 3.960 0.004 0.000 0.279 365 G C -0.605 174.268 174.900 -0.045 0.000 1.189 365 G CA -0.106 44.950 45.100 -0.072 0.000 0.941 365 G HN 0.913 nan 8.290 nan 0.000 0.445 366 V N 6.102 125.973 119.914 -0.071 0.000 2.325 366 V HA 0.226 4.348 4.120 0.004 0.000 0.280 366 V C -2.051 173.944 176.094 -0.164 0.000 1.016 366 V CA -1.638 60.595 62.300 -0.112 0.000 0.818 366 V CB 1.874 33.708 31.823 0.019 0.000 1.019 366 V HN 0.559 nan 8.190 nan 0.000 0.434 367 P HA 0.043 nan 4.420 nan 0.000 0.263 367 P C 0.738 177.973 177.300 -0.109 0.000 1.175 367 P CA 0.245 63.243 63.100 -0.169 0.000 0.761 367 P CB 0.673 32.247 31.700 -0.210 0.000 0.794 368 K N 1.774 122.122 120.400 -0.086 0.000 2.032 368 K HA -0.252 4.071 4.320 0.004 0.000 0.218 368 K C 2.160 178.776 176.600 0.026 0.000 1.054 368 K CA 2.234 58.491 56.287 -0.049 0.000 0.941 368 K CB -0.950 31.530 32.500 -0.033 0.000 0.720 368 K HN 0.380 nan 8.250 nan 0.000 0.449 369 S N 0.747 116.447 115.700 0.001 0.000 2.407 369 S HA -0.261 4.212 4.470 0.004 0.000 0.244 369 S C 1.864 176.475 174.600 0.018 0.000 1.077 369 S CA 1.967 60.172 58.200 0.008 0.000 1.159 369 S CB -0.411 62.774 63.200 -0.025 0.000 1.045 369 S HN 0.284 nan 8.310 nan 0.000 0.438 370 I N 1.407 121.967 120.570 -0.016 0.000 2.202 370 I HA -0.128 4.044 4.170 0.004 0.000 0.242 370 I C 2.828 178.981 176.117 0.061 0.000 1.091 370 I CA 1.151 62.454 61.300 0.004 0.000 1.368 370 I CB -0.869 37.109 38.000 -0.036 0.000 1.058 370 I HN 0.420 nan 8.210 nan 0.000 0.410 371 A N 0.687 123.560 122.820 0.090 0.000 2.084 371 A HA -0.228 4.094 4.320 0.004 0.000 0.221 371 A C 2.296 180.040 177.584 0.265 0.000 1.161 371 A CA 1.608 53.763 52.037 0.196 0.000 0.653 371 A CB -0.512 18.620 19.000 0.220 0.000 0.802 371 A HN 0.363 nan 8.150 nan 0.000 0.457 372 K N -1.268 119.265 120.400 0.222 0.000 2.296 372 K HA -0.032 4.290 4.320 0.004 0.000 0.200 372 K C 1.510 178.023 176.600 -0.146 0.000 1.048 372 K CA 1.460 57.870 56.287 0.205 0.000 0.966 372 K CB 0.056 32.690 32.500 0.223 0.000 0.754 372 K HN 0.597 nan 8.250 nan 0.000 0.466 373 T N 0.477 115.000 114.554 -0.051 0.000 3.042 373 T HA 0.156 4.509 4.350 0.004 0.000 0.245 373 T C 0.707 175.383 174.700 -0.040 0.000 1.029 373 T CA -0.059 62.001 62.100 -0.066 0.000 1.120 373 T CB 0.163 69.018 68.868 -0.023 0.000 0.917 373 T HN -0.035 nan 8.240 nan 0.000 0.467 374 L N 2.489 123.731 121.223 0.031 0.000 2.410 374 L HA 0.370 4.712 4.340 0.004 0.000 0.273 374 L C 0.516 177.467 176.870 0.134 0.000 1.144 374 L CA -0.139 54.777 54.840 0.128 0.000 0.863 374 L CB 0.538 42.700 42.059 0.171 0.000 1.140 374 L HN 0.095 nan 8.230 nan 0.000 0.463 375 T N 2.359 117.050 114.554 0.228 0.000 2.885 375 T HA 0.431 4.783 4.350 0.004 0.000 0.285 375 T C -1.230 173.588 174.700 0.196 0.000 1.019 375 T CA -0.404 61.804 62.100 0.180 0.000 1.010 375 T CB 0.888 69.832 68.868 0.127 0.000 1.022 375 T HN 0.381 nan 8.240 nan 0.000 0.466 376 Y N 5.362 125.682 120.300 0.035 0.000 2.376 376 Y HA 0.509 5.061 4.550 0.003 0.000 0.326 376 Y C -2.615 173.273 175.900 -0.019 0.000 0.970 376 Y CA -2.675 55.407 58.100 -0.030 0.000 1.248 376 Y CB 1.405 39.864 38.460 -0.002 0.000 1.117 376 Y HN 0.495 nan 8.280 nan 0.000 0.476 377 P HA -0.107 nan 4.420 nan 0.000 0.253 377 P C -0.965 175.770 177.300 -0.941 0.000 1.159 377 P CA 0.929 63.650 63.100 -0.632 0.000 0.779 377 P CB 0.189 31.587 31.700 -0.503 0.000 0.745 378 E N 2.838 122.790 120.200 -0.414 0.000 2.256 378 E HA 0.361 4.714 4.350 0.004 0.000 0.268 378 E C -1.066 175.527 176.600 -0.011 0.000 0.877 378 E CA -0.909 55.401 56.400 -0.150 0.000 0.757 378 E CB 1.283 31.037 29.700 0.089 0.000 1.183 378 E HN -0.009 nan 8.360 nan 0.000 0.418 379 V N 3.704 123.641 119.914 0.039 0.000 2.732 379 V HA 0.144 4.266 4.120 0.004 0.000 0.297 379 V C 0.058 176.228 176.094 0.128 0.000 1.060 379 V CA -0.691 61.661 62.300 0.087 0.000 1.038 379 V CB 1.564 33.441 31.823 0.090 0.000 1.003 379 V HN 0.551 nan 8.190 nan 0.000 0.481 380 V N 3.971 123.973 119.914 0.147 0.000 2.405 380 V HA 0.257 4.379 4.120 0.004 0.000 0.264 380 V C 0.471 176.679 176.094 0.189 0.000 1.048 380 V CA 0.359 62.741 62.300 0.137 0.000 0.966 380 V CB 0.800 32.676 31.823 0.087 0.000 1.015 380 V HN 1.000 nan 8.190 nan 0.000 0.477 381 T N 6.760 121.426 114.554 0.188 0.000 2.863 381 T HA 0.458 4.810 4.350 0.004 0.000 0.285 381 T C -1.970 172.796 174.700 0.110 0.000 1.009 381 T CA -1.946 60.254 62.100 0.167 0.000 0.989 381 T CB 2.090 71.080 68.868 0.204 0.000 1.004 381 T HN 0.393 nan 8.240 nan 0.000 0.455 382 P HA -0.054 nan 4.420 nan 0.000 0.224 382 P C 0.386 177.620 177.300 -0.110 0.000 1.142 382 P CA 1.142 64.243 63.100 0.002 0.000 0.778 382 P CB -0.166 31.354 31.700 -0.300 0.000 0.764 383 Y N 0.165 120.520 120.300 0.092 0.000 2.263 383 Y HA -0.152 4.400 4.550 0.004 0.000 0.292 383 Y C 2.073 178.012 175.900 0.065 0.000 1.130 383 Y CA 1.066 59.205 58.100 0.064 0.000 1.179 383 Y CB -0.830 37.661 38.460 0.052 0.000 0.998 383 Y HN 0.164 nan 8.280 nan 0.000 0.532 384 N N -0.622 118.200 118.700 0.203 0.000 2.294 384 N HA 0.000 4.742 4.740 0.004 0.000 0.186 384 N C 1.212 176.772 175.510 0.083 0.000 1.107 384 N CA 0.249 53.382 53.050 0.139 0.000 0.884 384 N CB -0.866 37.708 38.487 0.145 0.000 1.030 384 N HN 0.266 nan 8.380 nan 0.000 0.482 385 I N 1.278 121.885 120.570 0.062 0.000 2.121 385 I HA -0.377 3.796 4.170 0.004 0.000 0.243 385 I C 1.213 177.329 176.117 -0.000 0.000 1.047 385 I CA 1.942 63.242 61.300 -0.000 0.000 1.308 385 I CB -0.388 37.580 38.000 -0.054 0.000 1.015 385 I HN 0.124 nan 8.210 nan 0.000 0.410 386 D N 0.067 120.477 120.400 0.017 0.000 2.104 386 D HA -0.211 4.431 4.640 0.004 0.000 0.194 386 D C 2.241 178.549 176.300 0.013 0.000 0.994 386 D CA 1.280 55.286 54.000 0.011 0.000 0.830 386 D CB -0.361 40.452 40.800 0.022 0.000 0.959 386 D HN 0.305 nan 8.370 nan 0.000 0.452 387 R N 0.201 120.718 120.500 0.028 0.000 2.090 387 R HA 0.005 4.347 4.340 0.004 0.000 0.228 387 R C 2.465 178.777 176.300 0.021 0.000 1.110 387 R CA 0.364 56.480 56.100 0.025 0.000 0.973 387 R CB -0.255 30.068 30.300 0.039 0.000 0.869 387 R HN 0.174 nan 8.270 nan 0.000 0.440 388 L N 0.077 121.318 121.223 0.031 0.000 1.955 388 L HA -0.200 4.143 4.340 0.004 0.000 0.213 388 L C 2.401 179.277 176.870 0.011 0.000 1.072 388 L CA 2.075 56.933 54.840 0.031 0.000 0.755 388 L CB -0.780 41.305 42.059 0.044 0.000 0.888 388 L HN 0.272 nan 8.230 nan 0.000 0.432 389 T N -1.130 113.420 114.554 -0.008 0.000 2.737 389 T HA -0.327 4.025 4.350 0.004 0.000 0.269 389 T C 1.711 176.402 174.700 -0.016 0.000 1.040 389 T CA 1.844 63.931 62.100 -0.022 0.000 1.142 389 T CB -0.264 68.575 68.868 -0.048 0.000 0.861 389 T HN 0.301 nan 8.240 nan 0.000 0.456 390 Q N 0.759 120.551 119.800 -0.014 0.000 2.050 390 Q HA -0.056 4.287 4.340 0.004 0.000 0.202 390 Q C 2.078 178.064 176.000 -0.024 0.000 0.980 390 Q CA 1.459 57.252 55.803 -0.017 0.000 0.840 390 Q CB -0.581 28.149 28.738 -0.013 0.000 0.898 390 Q HN 0.519 nan 8.270 nan 0.000 0.424 391 L N -0.771 120.439 121.223 -0.022 0.000 1.976 391 L HA -0.199 4.143 4.340 0.004 0.000 0.209 391 L C 2.369 179.223 176.870 -0.027 0.000 1.071 391 L CA 1.246 56.062 54.840 -0.040 0.000 0.746 391 L CB -0.892 41.153 42.059 -0.023 0.000 0.890 391 L HN 0.120 nan 8.230 nan 0.000 0.432 392 V N 0.062 119.979 119.914 0.004 0.000 2.233 392 V HA -0.451 3.672 4.120 0.004 0.000 0.256 392 V C 2.678 178.770 176.094 -0.003 0.000 1.069 392 V CA 2.415 64.725 62.300 0.016 0.000 1.054 392 V CB -0.662 31.177 31.823 0.028 0.000 0.664 392 V HN 0.439 nan 8.190 nan 0.000 0.453 393 R N -0.340 120.153 120.500 -0.011 0.000 2.120 393 R HA -0.153 4.189 4.340 0.004 0.000 0.234 393 R C 2.190 178.475 176.300 -0.025 0.000 1.123 393 R CA 1.299 57.389 56.100 -0.016 0.000 0.975 393 R CB -0.545 29.745 30.300 -0.017 0.000 0.866 393 R HN 0.516 nan 8.270 nan 0.000 0.446 394 N N 0.669 119.347 118.700 -0.036 0.000 2.348 394 N HA -0.091 4.651 4.740 0.004 0.000 0.185 394 N C 0.358 175.834 175.510 -0.057 0.000 1.019 394 N CA 1.402 54.421 53.050 -0.052 0.000 0.880 394 N CB 0.061 38.501 38.487 -0.078 0.000 0.965 394 N HN 0.344 nan 8.380 nan 0.000 0.437 395 G N -0.220 108.551 108.800 -0.049 0.000 2.721 395 G HA2 -0.138 3.824 3.960 0.004 0.000 0.686 395 G HA3 -0.138 3.824 3.960 0.004 0.000 0.686 395 G C -2.089 172.793 174.900 -0.030 0.000 1.236 395 G CA -0.358 44.722 45.100 -0.034 0.000 0.786 395 G HN 0.097 nan 8.290 nan 0.000 0.616 396 P HA -0.028 nan 4.420 nan 0.000 0.234 396 P C 1.195 178.599 177.300 0.173 0.000 1.162 396 P CA 1.054 64.259 63.100 0.175 0.000 0.759 396 P CB 0.142 31.905 31.700 0.104 0.000 0.813 397 N N -1.124 117.610 118.700 0.057 0.000 2.332 397 N HA 0.022 4.765 4.740 0.004 0.000 0.190 397 N C 0.361 175.888 175.510 0.029 0.000 1.117 397 N CA 0.218 53.302 53.050 0.057 0.000 0.883 397 N CB 0.403 38.908 38.487 0.029 0.000 1.089 397 N HN 0.240 nan 8.380 nan 0.000 0.480 398 E N 0.271 120.455 120.200 -0.027 0.000 2.229 398 E HA 0.009 4.362 4.350 0.004 0.000 0.283 398 E C 0.767 177.312 176.600 -0.092 0.000 1.030 398 E CA -0.212 56.170 56.400 -0.030 0.000 0.836 398 E CB 1.037 30.714 29.700 -0.039 0.000 1.068 398 E HN 0.184 nan 8.360 nan 0.000 0.401 399 H N 4.859 123.885 119.070 -0.074 0.000 2.292 399 H HA -0.107 4.451 4.556 0.003 0.000 0.292 399 H C -1.437 173.773 175.328 -0.197 0.000 1.100 399 H CA 1.640 57.642 56.048 -0.078 0.000 1.238 399 H CB -0.757 29.000 29.762 -0.008 0.000 1.355 399 H HN 0.388 nan 8.280 nan 0.000 0.484 400 P HA 0.202 nan 4.420 nan 0.000 0.249 400 P C -0.375 176.668 177.300 -0.428 0.000 1.737 400 P CA 0.695 63.508 63.100 -0.479 0.000 1.128 400 P CB 0.514 32.110 31.700 -0.173 0.000 1.942 401 G N 0.738 109.091 108.800 -0.744 0.000 3.086 401 G HA2 0.851 4.813 3.960 0.004 0.000 0.282 401 G HA3 0.851 4.813 3.960 0.004 0.000 0.282 401 G C -1.721 172.938 174.900 -0.400 0.000 1.343 401 G CA -0.869 43.829 45.100 -0.670 0.000 0.895 401 G HN 0.361 nan 8.290 nan 0.000 0.557 402 A N 0.089 122.960 122.820 0.086 0.000 2.572 402 A HA 0.597 4.920 4.320 0.004 0.000 0.303 402 A C -1.115 176.611 177.584 0.237 0.000 1.059 402 A CA -0.725 51.516 52.037 0.339 0.000 0.788 402 A CB 1.360 20.469 19.000 0.181 0.000 1.282 402 A HN 0.932 nan 8.150 nan 0.000 0.397 403 K N 1.691 122.237 120.400 0.243 0.000 2.207 403 K HA 0.778 5.100 4.320 0.004 0.000 0.255 403 K C -0.957 175.860 176.600 0.361 0.000 0.941 403 K CA -0.378 56.011 56.287 0.169 0.000 0.825 403 K CB 1.022 33.629 32.500 0.178 0.000 1.119 403 K HN 1.241 nan 8.250 nan 0.000 0.430 404 Y N -1.811 118.489 120.300 0.001 0.000 2.524 404 Y HA -0.196 4.358 4.550 0.008 0.000 0.021 404 Y C -0.739 175.172 175.900 0.017 0.000 1.721 404 Y CA -0.399 57.701 58.100 0.001 0.000 1.407 404 Y CB -0.884 37.574 38.460 -0.003 0.000 2.054 404 Y HN 0.427 nan 8.280 nan 0.000 0.256 405 V N 3.987 123.998 119.914 0.161 0.000 2.653 405 V HA 0.448 4.570 4.120 0.004 0.000 0.298 405 V C -0.642 175.453 176.094 0.001 0.000 1.097 405 V CA -0.782 61.585 62.300 0.113 0.000 0.908 405 V CB 1.734 33.647 31.823 0.149 0.000 1.024 405 V HN 0.531 nan 8.190 nan 0.000 0.435 406 I N 5.868 126.413 120.570 -0.042 0.000 2.312 406 I HA 0.453 4.625 4.170 0.004 0.000 0.291 406 I C 0.795 176.624 176.117 -0.480 0.000 1.031 406 I CA 0.210 61.400 61.300 -0.184 0.000 1.293 406 I CB 0.762 38.699 38.000 -0.105 0.000 1.403 406 I HN 0.500 nan 8.210 nan 0.000 0.484 407 R N 3.963 124.000 120.500 -0.771 0.000 2.541 407 R HA 0.268 4.611 4.340 0.004 0.000 0.254 407 R C 0.518 176.370 176.300 -0.748 0.000 1.130 407 R CA -0.880 54.339 56.100 -1.469 0.000 1.152 407 R CB 0.563 30.054 30.300 -1.348 0.000 1.222 407 R HN 0.482 nan 8.270 nan 0.000 0.579 408 D N 0.323 120.379 120.400 -0.573 0.000 2.104 408 D HA -0.116 4.526 4.640 0.004 0.000 0.194 408 D C 1.320 177.553 176.300 -0.112 0.000 0.994 408 D CA 1.748 55.665 54.000 -0.139 0.000 0.830 408 D CB -0.110 40.737 40.800 0.078 0.000 0.959 408 D HN 0.317 nan 8.370 nan 0.000 0.452 409 S N -1.054 114.570 115.700 -0.128 0.000 2.607 409 S HA 0.228 4.701 4.470 0.004 0.000 0.224 409 S C 1.203 175.748 174.600 -0.092 0.000 0.969 409 S CA 0.638 58.790 58.200 -0.081 0.000 0.927 409 S CB 0.467 63.632 63.200 -0.057 0.000 0.772 409 S HN 0.488 nan 8.310 nan 0.000 0.533 410 G N 2.476 111.190 108.800 -0.142 0.000 2.325 410 G HA2 -0.148 3.815 3.960 0.004 0.000 0.248 410 G HA3 -0.148 3.815 3.960 0.004 0.000 0.248 410 G C -0.839 173.997 174.900 -0.106 0.000 1.108 410 G CA -0.388 44.644 45.100 -0.114 0.000 0.881 410 G HN 0.405 nan 8.290 nan 0.000 0.494 411 D N -0.631 119.674 120.400 -0.158 0.000 2.387 411 D HA 0.648 5.290 4.640 0.004 0.000 0.255 411 D C 0.647 176.890 176.300 -0.095 0.000 1.081 411 D CA -0.525 53.404 54.000 -0.117 0.000 0.994 411 D CB 0.978 41.694 40.800 -0.140 0.000 1.127 411 D HN 0.240 nan 8.370 nan 0.000 0.513 412 R N 0.753 121.237 120.500 -0.028 0.000 2.487 412 R HA 0.294 4.636 4.340 0.004 0.000 0.288 412 R C -1.056 175.276 176.300 0.053 0.000 1.394 412 R CA -0.683 55.449 56.100 0.053 0.000 1.155 412 R CB 0.163 30.538 30.300 0.125 0.000 1.156 412 R HN 0.212 nan 8.270 nan 0.000 0.553 413 I N 2.858 123.436 120.570 0.015 0.000 2.329 413 I HA 0.037 4.210 4.170 0.004 0.000 0.295 413 I C 0.293 176.337 176.117 -0.122 0.000 1.109 413 I CA -0.185 61.100 61.300 -0.025 0.000 1.297 413 I CB 0.603 38.602 38.000 -0.001 0.000 1.433 413 I HN 0.278 nan 8.210 nan 0.000 0.509 414 D N 6.760 127.030 120.400 -0.216 0.000 2.359 414 D HA 0.097 4.739 4.640 0.004 0.000 0.250 414 D C 0.899 176.962 176.300 -0.396 0.000 1.264 414 D CA 0.011 53.700 54.000 -0.519 0.000 0.911 414 D CB 0.777 41.329 40.800 -0.413 0.000 1.056 414 D HN 0.430 nan 8.370 nan 0.000 0.499 415 L N 3.662 124.652 121.223 -0.388 0.000 2.650 415 L HA 0.066 4.408 4.340 0.004 0.000 0.235 415 L C 2.126 178.835 176.870 -0.268 0.000 1.149 415 L CA 0.124 54.827 54.840 -0.228 0.000 0.887 415 L CB -0.086 41.901 42.059 -0.120 0.000 1.021 415 L HN 0.204 nan 8.230 nan 0.000 0.441 416 R N -0.845 119.356 120.500 -0.498 0.000 2.127 416 R HA 0.027 4.370 4.340 0.004 0.000 0.217 416 R C 0.551 176.583 176.300 -0.446 0.000 1.074 416 R CA 0.992 56.740 56.100 -0.588 0.000 0.991 416 R CB 0.081 29.767 30.300 -1.023 0.000 0.895 416 R HN 0.315 nan 8.270 nan 0.000 0.450 417 Y N -0.752 119.499 120.300 -0.083 0.000 3.303 417 Y HA 0.292 4.839 4.550 -0.005 0.000 0.326 417 Y C 0.540 176.407 175.900 -0.055 0.000 1.476 417 Y CA -1.191 56.874 58.100 -0.059 0.000 0.816 417 Y CB -0.062 38.364 38.460 -0.058 0.000 1.213 417 Y HN -0.156 nan 8.280 nan 0.000 0.806 418 S N 0.814 116.604 115.700 0.150 0.000 3.098 418 S HA -0.182 4.291 4.470 0.004 0.000 0.805 418 S C 0.748 175.373 174.600 0.041 0.000 0.883 418 S CA 0.293 58.529 58.200 0.061 0.000 1.384 418 S CB -0.319 62.892 63.200 0.019 0.000 1.040 418 S HN 0.783 nan 8.310 nan 0.000 0.525 419 K N 4.546 124.967 120.400 0.034 0.000 2.089 419 K HA -0.156 4.166 4.320 0.004 0.000 0.210 419 K C 1.287 177.899 176.600 0.020 0.000 1.048 419 K CA 1.867 58.169 56.287 0.025 0.000 0.926 419 K CB -0.205 32.306 32.500 0.019 0.000 0.714 419 K HN 0.660 nan 8.250 nan 0.000 0.448 420 R N 0.488 121.001 120.500 0.023 0.000 2.752 420 R HA 0.220 4.562 4.340 0.004 0.000 0.279 420 R C 1.469 177.782 176.300 0.021 0.000 1.212 420 R CA 0.157 56.271 56.100 0.023 0.000 1.169 420 R CB 0.371 30.691 30.300 0.034 0.000 1.286 420 R HN 0.359 nan 8.270 nan 0.000 0.564 421 A N 0.247 123.075 122.820 0.013 0.000 1.969 421 A HA -0.050 4.273 4.320 0.004 0.000 0.218 421 A C 2.090 179.675 177.584 0.001 0.000 1.169 421 A CA 1.622 53.660 52.037 0.002 0.000 0.635 421 A CB -0.288 18.705 19.000 -0.011 0.000 0.810 421 A HN 0.466 nan 8.150 nan 0.000 0.445 422 G N -0.911 107.890 108.800 0.002 0.000 2.603 422 G HA2 0.110 4.072 3.960 0.004 0.000 0.214 422 G HA3 0.110 4.072 3.960 0.004 0.000 0.214 422 G C 0.713 175.613 174.900 -0.001 0.000 1.140 422 G CA 0.832 45.931 45.100 -0.001 0.000 0.800 422 G HN 0.574 nan 8.290 nan 0.000 0.533 423 D N -0.860 119.542 120.400 0.004 0.000 2.233 423 D HA 0.439 5.082 4.640 0.004 0.000 0.281 423 D C 0.340 176.644 176.300 0.007 0.000 1.175 423 D CA -0.226 53.775 54.000 0.003 0.000 1.034 423 D CB 0.588 41.393 40.800 0.009 0.000 1.133 423 D HN 0.025 nan 8.370 nan 0.000 0.519 424 I N -0.742 119.836 120.570 0.012 0.000 7.422 424 I HA -0.169 4.003 4.170 0.004 0.000 0.278 424 I C -1.617 174.477 176.117 -0.039 0.000 1.840 424 I CA -0.086 61.229 61.300 0.025 0.000 2.037 424 I CB -0.052 37.983 38.000 0.059 0.000 3.650 424 I HN 0.359 nan 8.210 nan 0.000 0.169 425 Q N 7.992 127.732 119.800 -0.100 0.000 2.456 425 Q HA 0.482 4.825 4.340 0.004 0.000 0.252 425 Q C -0.772 174.981 176.000 -0.412 0.000 1.042 425 Q CA -0.594 55.084 55.803 -0.208 0.000 0.766 425 Q CB 1.650 30.271 28.738 -0.195 0.000 1.196 425 Q HN 0.503 nan 8.270 nan 0.000 0.504 426 L N 4.272 125.291 121.223 -0.340 0.000 2.597 426 L HA -0.040 4.303 4.340 0.004 0.000 0.271 426 L C 1.081 177.574 176.870 -0.628 0.000 1.157 426 L CA 0.239 54.813 54.840 -0.442 0.000 0.928 426 L CB -0.055 41.880 42.059 -0.207 0.000 1.216 426 L HN 0.420 nan 8.230 nan 0.000 0.481 427 Q N 3.790 123.018 119.800 -0.953 0.000 2.194 427 Q HA 0.325 4.668 4.340 0.004 0.000 0.245 427 Q C -0.843 174.753 176.000 -0.674 0.000 0.993 427 Q CA -0.835 54.440 55.803 -0.880 0.000 0.930 427 Q CB 0.617 28.931 28.738 -0.705 0.000 1.238 427 Q HN 0.348 nan 8.270 nan 0.000 0.486 428 Y N -0.803 119.381 120.300 -0.194 0.000 2.397 428 Y HA 0.383 4.936 4.550 0.005 0.000 0.335 428 Y C 1.698 177.623 175.900 0.042 0.000 1.213 428 Y CA 1.094 59.155 58.100 -0.065 0.000 1.391 428 Y CB 0.427 38.850 38.460 -0.061 0.000 1.293 428 Y HN 0.921 nan 8.280 nan 0.000 0.557 429 G N -0.435 108.525 108.800 0.266 0.000 2.241 429 G HA2 -0.260 3.703 3.960 0.004 0.000 0.244 429 G HA3 -0.260 3.703 3.960 0.004 0.000 0.244 429 G C -0.135 174.976 174.900 0.351 0.000 0.998 429 G CA -0.419 44.842 45.100 0.268 0.000 0.621 429 G HN 0.534 nan 8.290 nan 0.000 0.519 430 W N 1.232 122.550 121.300 0.030 0.000 2.086 430 W HA 0.723 5.384 4.660 0.002 0.000 0.355 430 W C 0.819 177.345 176.519 0.010 0.000 1.313 430 W CA -0.417 56.935 57.345 0.011 0.000 1.358 430 W CB 0.422 29.877 29.460 -0.007 0.000 1.166 430 W HN 0.031 nan 8.180 nan 0.000 0.630 431 K N 0.560 121.082 120.400 0.203 0.000 2.316 431 K HA 0.603 4.925 4.320 0.004 0.000 0.251 431 K C -1.353 175.314 176.600 0.111 0.000 0.934 431 K CA -1.005 55.344 56.287 0.104 0.000 0.802 431 K CB 2.483 34.990 32.500 0.011 0.000 1.171 431 K HN 0.053 nan 8.250 nan 0.000 0.426 432 V N 2.274 122.241 119.914 0.089 0.000 2.513 432 V HA 0.161 4.283 4.120 0.004 0.000 0.299 432 V C -0.305 175.825 176.094 0.060 0.000 1.035 432 V CA -0.636 61.722 62.300 0.096 0.000 0.889 432 V CB 1.620 33.505 31.823 0.102 0.000 0.988 432 V HN 0.721 nan 8.190 nan 0.000 0.440 433 E N 5.100 125.353 120.200 0.088 0.000 2.069 433 E HA 0.206 4.558 4.350 0.004 0.000 0.254 433 E C 0.119 176.806 176.600 0.145 0.000 1.088 433 E CA -0.365 56.078 56.400 0.071 0.000 1.017 433 E CB 0.406 30.142 29.700 0.061 0.000 1.226 433 E HN 0.605 nan 8.360 nan 0.000 0.458 434 R N 0.845 121.440 120.500 0.158 0.000 2.801 434 R HA 0.208 4.551 4.340 0.004 0.000 0.273 434 R C 0.214 176.681 176.300 0.280 0.000 1.080 434 R CA -0.190 56.044 56.100 0.224 0.000 1.197 434 R CB 0.471 30.877 30.300 0.178 0.000 1.109 434 R HN 0.369 nan 8.270 nan 0.000 0.535 435 H N -0.547 118.551 119.070 0.047 0.000 2.544 435 H HA 0.140 4.697 4.556 0.002 0.000 0.365 435 H C 0.011 175.389 175.328 0.084 0.000 1.268 435 H CA -0.845 55.234 56.048 0.052 0.000 1.400 435 H CB 0.884 30.612 29.762 -0.056 0.000 1.538 435 H HN 0.231 nan 8.280 nan 0.000 0.597 436 I N 1.964 122.688 120.570 0.257 0.000 2.517 436 I HA -0.065 4.107 4.170 0.004 0.000 0.285 436 I C 0.321 176.598 176.117 0.267 0.000 1.106 436 I CA 0.953 62.383 61.300 0.217 0.000 1.402 436 I CB -0.099 38.014 38.000 0.188 0.000 1.399 436 I HN 0.347 nan 8.210 nan 0.000 0.535 437 M N 3.879 123.589 119.600 0.184 0.000 2.792 437 M HA 0.364 4.846 4.480 0.004 0.000 0.294 437 M C -0.078 176.300 176.300 0.131 0.000 1.215 437 M CA -0.851 54.581 55.300 0.219 0.000 0.883 437 M CB 0.659 33.344 32.600 0.142 0.000 1.620 437 M HN 0.344 nan 8.290 nan 0.000 0.511 438 D N 1.434 121.902 120.400 0.113 0.000 2.400 438 D HA 0.072 4.714 4.640 0.004 0.000 0.238 438 D C -0.558 175.763 176.300 0.035 0.000 1.157 438 D CA 0.844 54.878 54.000 0.056 0.000 0.889 438 D CB 0.065 40.890 40.800 0.042 0.000 1.199 438 D HN 0.472 nan 8.370 nan 0.000 0.436 439 N N 1.571 120.284 118.700 0.021 0.000 2.573 439 N HA -0.194 4.549 4.740 0.004 0.000 0.280 439 N C -1.395 174.112 175.510 -0.005 0.000 1.187 439 N CA 0.811 53.866 53.050 0.009 0.000 0.717 439 N CB -0.609 37.883 38.487 0.007 0.000 0.899 439 N HN 0.393 nan 8.380 nan 0.000 0.546 440 D N -0.489 119.908 120.400 -0.006 0.000 2.596 440 D HA 0.489 5.132 4.640 0.004 0.000 0.234 440 D C -2.628 173.659 176.300 -0.023 0.000 1.181 440 D CA -1.438 52.540 54.000 -0.037 0.000 0.856 440 D CB 1.584 42.358 40.800 -0.043 0.000 1.498 440 D HN -0.074 nan 8.370 nan 0.000 0.446 441 P HA 0.166 nan 4.420 nan 0.000 0.274 441 P C -0.966 176.352 177.300 0.030 0.000 1.291 441 P CA -0.280 62.812 63.100 -0.013 0.000 0.815 441 P CB 0.331 32.006 31.700 -0.043 0.000 0.897 442 V N 2.586 122.546 119.914 0.077 0.000 2.588 442 V HA 0.449 4.572 4.120 0.004 0.000 0.304 442 V C -0.391 175.817 176.094 0.190 0.000 1.042 442 V CA -1.058 61.318 62.300 0.128 0.000 0.877 442 V CB 2.176 34.071 31.823 0.120 0.000 0.996 442 V HN 0.308 nan 8.190 nan 0.000 0.425 443 L N 4.904 126.256 121.223 0.216 0.000 2.305 443 L HA 0.592 4.934 4.340 0.004 0.000 0.281 443 L C -1.198 175.877 176.870 0.342 0.000 1.085 443 L CA -0.456 54.532 54.840 0.246 0.000 0.813 443 L CB 1.260 43.415 42.059 0.159 0.000 1.157 443 L HN 0.845 nan 8.230 nan 0.000 0.436 444 F N 6.551 126.592 119.950 0.151 0.000 2.824 444 F HA 0.322 4.851 4.527 0.004 0.000 0.375 444 F C -0.113 175.752 175.800 0.108 0.000 1.190 444 F CA -0.971 57.054 58.000 0.041 0.000 1.180 444 F CB 0.401 39.370 39.000 -0.051 0.000 1.477 444 F HN 0.534 nan 8.300 nan 0.000 0.542 445 N N 3.997 122.593 118.700 -0.172 0.000 2.530 445 N HA 0.550 5.293 4.740 0.004 0.000 0.283 445 N C -1.325 174.007 175.510 -0.298 0.000 1.238 445 N CA -0.629 52.372 53.050 -0.082 0.000 0.971 445 N CB 2.059 40.569 38.487 0.039 0.000 1.195 445 N HN 0.651 nan 8.380 nan 0.000 0.583 446 R N 0.614 121.066 120.500 -0.080 0.000 2.508 446 R HA 0.146 4.488 4.340 0.004 0.000 0.283 446 R C -1.383 174.903 176.300 -0.023 0.000 1.120 446 R CA -0.431 55.601 56.100 -0.113 0.000 0.958 446 R CB 1.210 31.444 30.300 -0.111 0.000 1.215 446 R HN 0.620 nan 8.270 nan 0.000 0.427 447 Q N 3.136 122.911 119.800 -0.041 0.000 2.306 447 Q HA 0.363 4.705 4.340 0.004 0.000 0.241 447 Q C -2.209 173.778 176.000 -0.022 0.000 0.948 447 Q CA -1.452 54.337 55.803 -0.023 0.000 0.886 447 Q CB 0.731 29.456 28.738 -0.022 0.000 1.227 447 Q HN 0.419 nan 8.270 nan 0.000 0.457 448 P HA 0.091 nan 4.420 nan 0.000 0.276 448 P C -1.139 176.141 177.300 -0.034 0.000 1.253 448 P CA -0.425 62.658 63.100 -0.029 0.000 0.766 448 P CB 0.740 32.417 31.700 -0.037 0.000 0.845 449 S N 2.914 118.598 115.700 -0.028 0.000 2.700 449 S HA 0.231 4.703 4.470 0.004 0.000 0.321 449 S C 0.491 175.053 174.600 -0.064 0.000 1.161 449 S CA -0.573 57.612 58.200 -0.024 0.000 1.078 449 S CB -0.680 62.514 63.200 -0.011 0.000 1.302 449 S HN 0.327 nan 8.310 nan 0.000 0.540 450 L N -0.263 120.883 121.223 -0.128 0.000 3.110 450 L HA 0.646 4.988 4.340 0.004 0.000 0.266 450 L C -0.167 176.502 176.870 -0.335 0.000 1.257 450 L CA -0.361 54.346 54.840 -0.223 0.000 1.038 450 L CB -1.169 40.732 42.059 -0.264 0.000 1.395 450 L HN 0.663 nan 8.230 nan 0.000 0.566 451 H N -1.111 117.911 119.070 -0.081 0.000 2.966 451 H HA 0.414 4.973 4.556 0.004 0.000 0.330 451 H C 0.193 175.465 175.328 -0.094 0.000 1.292 451 H CA -0.751 55.239 56.048 -0.098 0.000 1.127 451 H CB 1.726 31.418 29.762 -0.116 0.000 1.863 451 H HN 0.002 nan 8.280 nan 0.000 0.543 452 K N 0.148 120.588 120.400 0.066 0.000 2.062 452 K HA -0.017 4.306 4.320 0.004 0.000 0.205 452 K C 1.244 177.815 176.600 -0.047 0.000 1.051 452 K CA 1.473 57.754 56.287 -0.010 0.000 0.941 452 K CB -0.008 32.469 32.500 -0.037 0.000 0.719 452 K HN 0.293 nan 8.250 nan 0.000 0.440 453 M N 1.709 121.241 119.600 -0.113 0.000 2.629 453 M HA -0.019 4.464 4.480 0.004 0.000 0.257 453 M C 1.652 177.762 176.300 -0.317 0.000 1.071 453 M CA 0.976 56.118 55.300 -0.264 0.000 1.077 453 M CB -0.183 32.162 32.600 -0.424 0.000 1.423 453 M HN 0.131 nan 8.290 nan 0.000 0.508 454 S N -0.630 115.017 115.700 -0.089 0.000 2.489 454 S HA 0.186 4.658 4.470 0.004 0.000 0.228 454 S C 0.741 175.353 174.600 0.019 0.000 0.995 454 S CA 0.674 58.846 58.200 -0.047 0.000 0.934 454 S CB 0.042 63.278 63.200 0.060 0.000 0.771 454 S HN 0.377 nan 8.310 nan 0.000 0.522 455 M N 1.831 121.431 119.600 0.001 0.000 2.053 455 M HA 0.441 4.924 4.480 0.004 0.000 0.297 455 M C -1.288 175.058 176.300 0.076 0.000 0.921 455 M CA 0.233 55.577 55.300 0.073 0.000 0.918 455 M CB 1.474 34.091 32.600 0.027 0.000 1.499 455 M HN 0.103 nan 8.290 nan 0.000 0.422 456 M N 1.763 121.488 119.600 0.208 0.000 2.572 456 M HA 0.668 5.150 4.480 0.004 0.000 0.299 456 M C -0.291 176.175 176.300 0.278 0.000 1.205 456 M CA -0.870 54.537 55.300 0.179 0.000 0.876 456 M CB 2.380 35.057 32.600 0.128 0.000 1.728 456 M HN 0.627 nan 8.290 nan 0.000 0.458 457 A N 1.681 124.575 122.820 0.124 0.000 2.366 457 A HA 0.525 4.847 4.320 0.004 0.000 0.272 457 A C -0.720 176.883 177.584 0.032 0.000 1.135 457 A CA -0.103 52.003 52.037 0.115 0.000 0.804 457 A CB 0.135 19.159 19.000 0.039 0.000 1.064 457 A HN 0.872 nan 8.150 nan 0.000 0.499 458 H N 0.906 120.010 119.070 0.057 0.000 2.824 458 H HA 0.488 5.046 4.556 0.004 0.000 0.345 458 H C -0.518 174.796 175.328 -0.024 0.000 1.252 458 H CA -0.753 55.292 56.048 -0.005 0.000 1.246 458 H CB 1.591 31.290 29.762 -0.105 0.000 1.908 458 H HN 0.686 nan 8.280 nan 0.000 0.601 459 R N 0.748 121.304 120.500 0.093 0.000 2.445 459 R HA 0.345 4.688 4.340 0.004 0.000 0.308 459 R C -0.844 175.472 176.300 0.027 0.000 0.961 459 R CA -0.753 55.370 56.100 0.039 0.000 0.862 459 R CB 1.750 32.062 30.300 0.020 0.000 1.144 459 R HN 0.209 nan 8.270 nan 0.000 0.447 460 V N 3.015 122.940 119.914 0.019 0.000 2.614 460 V HA 0.177 4.299 4.120 0.004 0.000 0.291 460 V C 0.070 176.167 176.094 0.004 0.000 1.049 460 V CA -0.217 62.090 62.300 0.012 0.000 1.038 460 V CB 1.037 32.881 31.823 0.035 0.000 0.980 460 V HN 0.596 nan 8.190 nan 0.000 0.481 461 K N 4.451 124.841 120.400 -0.017 0.000 2.621 461 K HA 0.437 4.759 4.320 0.004 0.000 0.233 461 K C -1.039 175.527 176.600 -0.056 0.000 0.972 461 K CA -0.432 55.839 56.287 -0.027 0.000 0.988 461 K CB 1.170 33.655 32.500 -0.026 0.000 1.187 461 K HN 0.445 nan 8.250 nan 0.000 0.471 462 V N 5.635 125.501 119.914 -0.081 0.000 2.644 462 V HA 0.099 4.222 4.120 0.004 0.000 0.305 462 V C 0.471 176.479 176.094 -0.144 0.000 1.053 462 V CA 0.306 62.508 62.300 -0.162 0.000 1.186 462 V CB -0.810 30.784 31.823 -0.381 0.000 0.895 462 V HN 0.677 nan 8.190 nan 0.000 0.490 463 I N 3.310 123.805 120.570 -0.125 0.000 3.095 463 I HA 0.747 4.920 4.170 0.004 0.000 0.310 463 I C -2.751 173.345 176.117 -0.036 0.000 1.196 463 I CA -2.759 58.494 61.300 -0.078 0.000 0.985 463 I CB 1.371 39.325 38.000 -0.077 0.000 1.250 463 I HN 0.295 nan 8.210 nan 0.000 0.446 464 P HA 0.245 nan 4.420 nan 0.000 0.285 464 P C -0.893 176.583 177.300 0.292 0.000 1.282 464 P CA 0.322 63.525 63.100 0.172 0.000 0.778 464 P CB 0.041 31.937 31.700 0.326 0.000 1.222 465 Y N -2.390 117.869 120.300 -0.068 0.000 2.893 465 Y HA -0.294 4.259 4.550 0.005 0.000 0.458 465 Y C 1.400 177.244 175.900 -0.094 0.000 1.197 465 Y CA 1.390 59.448 58.100 -0.070 0.000 2.417 465 Y CB -2.177 36.243 38.460 -0.067 0.000 1.230 465 Y HN 0.440 nan 8.280 nan 0.000 0.639 466 S N -2.743 113.009 115.700 0.086 0.000 3.009 466 S HA 0.344 4.816 4.470 0.004 0.000 0.254 466 S C -0.204 174.338 174.600 -0.097 0.000 1.004 466 S CA 0.019 58.194 58.200 -0.041 0.000 1.119 466 S CB 0.142 63.318 63.200 -0.041 0.000 1.075 466 S HN 0.910 nan 8.310 nan 0.000 0.618 467 T N -0.024 114.488 114.554 -0.070 0.000 2.928 467 T HA 0.707 5.059 4.350 0.004 0.000 0.284 467 T C -0.371 174.244 174.700 -0.141 0.000 1.008 467 T CA -0.652 61.408 62.100 -0.066 0.000 1.057 467 T CB 0.426 69.285 68.868 -0.014 0.000 1.018 467 T HN 0.122 nan 8.240 nan 0.000 0.493 468 F N 1.916 121.874 119.950 0.014 0.000 2.467 468 F HA 0.380 4.910 4.527 0.005 0.000 0.362 468 F C 1.466 177.235 175.800 -0.051 0.000 1.090 468 F CA -0.575 57.420 58.000 -0.009 0.000 1.202 468 F CB 0.793 39.863 39.000 0.116 0.000 1.113 468 F HN 0.341 nan 8.300 nan 0.000 0.541 469 R N 4.676 125.203 120.500 0.045 0.000 2.664 469 R HA 0.859 5.201 4.340 0.004 0.000 0.286 469 R C -1.460 174.797 176.300 -0.072 0.000 0.967 469 R CA -1.101 54.967 56.100 -0.053 0.000 0.933 469 R CB 1.702 31.935 30.300 -0.111 0.000 1.146 469 R HN 0.506 nan 8.270 nan 0.000 0.468 470 L N -1.050 120.139 121.223 -0.055 0.000 2.568 470 L HA 0.508 4.850 4.340 0.004 0.000 0.257 470 L C -0.693 176.202 176.870 0.041 0.000 1.024 470 L CA -1.244 53.582 54.840 -0.024 0.000 0.854 470 L CB 0.962 43.014 42.059 -0.013 0.000 1.460 470 L HN 0.349 nan 8.230 nan 0.000 0.409 471 N N -0.003 118.742 118.700 0.076 0.000 2.497 471 N HA 0.321 5.063 4.740 0.004 0.000 0.268 471 N C 0.771 176.354 175.510 0.122 0.000 1.171 471 N CA -0.007 53.087 53.050 0.074 0.000 0.948 471 N CB 0.807 39.324 38.487 0.049 0.000 1.069 471 N HN 0.783 nan 8.380 nan 0.000 0.460 472 L N 1.571 122.871 121.223 0.129 0.000 2.081 472 L HA -0.198 4.144 4.340 0.004 0.000 0.212 472 L C 1.765 178.712 176.870 0.129 0.000 1.080 472 L CA 1.166 56.121 54.840 0.192 0.000 0.754 472 L CB -0.266 41.893 42.059 0.166 0.000 0.893 472 L HN 0.552 nan 8.230 nan 0.000 0.433 473 S N -1.498 114.236 115.700 0.055 0.000 2.607 473 S HA -0.008 4.465 4.470 0.004 0.000 0.224 473 S C 1.285 175.817 174.600 -0.114 0.000 0.969 473 S CA 0.159 58.338 58.200 -0.036 0.000 0.927 473 S CB 0.290 63.452 63.200 -0.064 0.000 0.772 473 S HN 0.195 nan 8.310 nan 0.000 0.533 474 V N 1.249 121.171 119.914 0.014 0.000 3.421 474 V HA 0.074 4.196 4.120 0.004 0.000 0.316 474 V C 1.738 177.982 176.094 0.250 0.000 1.347 474 V CA 0.605 62.979 62.300 0.122 0.000 1.183 474 V CB -0.405 31.584 31.823 0.276 0.000 1.092 474 V HN 0.403 nan 8.190 nan 0.000 0.433 475 T N 0.247 114.890 114.554 0.149 0.000 2.701 475 T HA -0.151 4.202 4.350 0.004 0.000 0.263 475 T C 2.085 176.840 174.700 0.093 0.000 1.040 475 T CA 2.278 64.447 62.100 0.115 0.000 1.147 475 T CB -0.026 68.862 68.868 0.032 0.000 0.865 475 T HN 0.643 nan 8.240 nan 0.000 0.426 476 S N 1.794 117.517 115.700 0.038 0.000 2.370 476 S HA -0.065 4.407 4.470 0.004 0.000 0.226 476 S C -0.471 174.113 174.600 -0.027 0.000 1.033 476 S CA 1.249 59.452 58.200 0.005 0.000 1.011 476 S CB -1.340 61.855 63.200 -0.007 0.000 0.852 476 S HN 0.483 nan 8.310 nan 0.000 0.457 477 P HA 0.010 nan 4.420 nan 0.000 0.223 477 P C 0.489 177.644 177.300 -0.243 0.000 1.151 477 P CA 0.909 63.853 63.100 -0.260 0.000 0.787 477 P CB -0.081 31.390 31.700 -0.382 0.000 0.788 478 Y N -1.888 118.411 120.300 -0.002 0.000 2.476 478 Y HA 0.110 4.662 4.550 0.005 0.000 0.283 478 Y C 1.091 176.987 175.900 -0.007 0.000 1.109 478 Y CA 0.223 58.323 58.100 -0.000 0.000 1.246 478 Y CB -0.340 38.105 38.460 -0.024 0.000 1.068 478 Y HN -0.118 nan 8.280 nan 0.000 0.552 479 N N -0.605 118.166 118.700 0.119 0.000 2.829 479 N HA -0.179 4.564 4.740 0.004 0.000 0.250 479 N C -0.402 175.108 175.510 -0.000 0.000 1.090 479 N CA 0.397 53.474 53.050 0.045 0.000 0.781 479 N CB -1.167 37.343 38.487 0.038 0.000 1.124 479 N HN 0.338 nan 8.380 nan 0.000 0.559 480 A N -0.155 122.666 122.820 0.002 0.000 2.313 480 A HA 0.550 4.872 4.320 0.004 0.000 0.261 480 A C 0.383 177.800 177.584 -0.278 0.000 1.090 480 A CA 0.608 52.581 52.037 -0.106 0.000 0.807 480 A CB 0.440 19.384 19.000 -0.095 0.000 1.055 480 A HN 0.576 nan 8.150 nan 0.000 0.492 481 D N -2.188 117.975 120.400 -0.395 0.000 2.752 481 D HA 0.444 5.086 4.640 0.004 0.000 0.313 481 D C -0.916 174.986 176.300 -0.664 0.000 1.225 481 D CA -0.450 53.145 54.000 -0.676 0.000 0.976 481 D CB 0.246 40.855 40.800 -0.320 0.000 1.443 481 D HN 0.257 nan 8.370 nan 0.000 0.515 482 F N -0.209 119.752 119.950 0.017 0.000 2.908 482 F HA 0.204 4.734 4.527 0.004 0.000 0.328 482 F C 0.464 176.273 175.800 0.015 0.000 1.211 482 F CA -0.795 57.216 58.000 0.017 0.000 1.291 482 F CB 0.429 39.440 39.000 0.018 0.000 0.962 482 F HN 0.156 nan 8.300 nan 0.000 0.505 483 D N -0.233 120.219 120.400 0.086 0.000 2.561 483 D HA 0.273 4.916 4.640 0.004 0.000 0.232 483 D C 1.429 177.761 176.300 0.054 0.000 1.198 483 D CA -0.092 53.946 54.000 0.063 0.000 0.826 483 D CB 0.288 41.102 40.800 0.024 0.000 0.992 483 D HN 0.391 nan 8.370 nan 0.000 0.490 484 G N 0.167 109.014 108.800 0.079 0.000 2.154 484 G HA2 -0.220 3.742 3.960 0.004 0.000 0.186 484 G HA3 -0.220 3.742 3.960 0.004 0.000 0.186 484 G C -0.439 174.492 174.900 0.051 0.000 1.000 484 G CA -0.468 44.670 45.100 0.064 0.000 0.664 484 G HN 0.372 nan 8.290 nan 0.000 0.513 485 D N 1.001 121.429 120.400 0.048 0.000 2.443 485 D HA 0.457 5.099 4.640 0.004 0.000 0.239 485 D C 0.772 177.098 176.300 0.044 0.000 1.136 485 D CA 0.657 54.671 54.000 0.023 0.000 0.879 485 D CB 0.733 41.529 40.800 -0.006 0.000 1.195 485 D HN 0.508 nan 8.370 nan 0.000 0.443 486 E N 0.963 121.172 120.200 0.014 0.000 2.243 486 E HA 0.607 4.960 4.350 0.004 0.000 0.260 486 E C -0.263 176.300 176.600 -0.061 0.000 0.985 486 E CA -0.694 55.720 56.400 0.023 0.000 0.858 486 E CB 1.524 31.238 29.700 0.024 0.000 1.210 486 E HN 0.326 nan 8.360 nan 0.000 0.411 487 M N 0.855 120.388 119.600 -0.112 0.000 2.667 487 M HA 0.386 4.868 4.480 0.004 0.000 0.286 487 M C -1.113 174.942 176.300 -0.408 0.000 1.270 487 M CA -0.924 54.155 55.300 -0.369 0.000 0.826 487 M CB 2.110 34.281 32.600 -0.715 0.000 1.743 487 M HN 0.392 nan 8.290 nan 0.000 0.460 488 N N 0.550 118.944 118.700 -0.511 0.000 2.525 488 N HA 0.898 5.641 4.740 0.004 0.000 0.288 488 N C -1.693 173.598 175.510 -0.366 0.000 1.242 488 N CA -0.604 52.241 53.050 -0.342 0.000 0.905 488 N CB 1.797 40.193 38.487 -0.153 0.000 1.258 488 N HN 0.562 nan 8.380 nan 0.000 0.551 489 L N -0.128 120.984 121.223 -0.186 0.000 2.592 489 L HA 0.387 4.730 4.340 0.004 0.000 0.258 489 L C -1.833 174.994 176.870 -0.073 0.000 0.926 489 L CA -0.477 54.379 54.840 0.026 0.000 0.885 489 L CB 1.399 43.510 42.059 0.087 0.000 1.380 489 L HN 0.597 nan 8.230 nan 0.000 0.415 490 H N 4.043 123.187 119.070 0.125 0.000 2.609 490 H HA 0.513 5.071 4.556 0.005 0.000 0.344 490 H C -1.214 174.196 175.328 0.136 0.000 1.040 490 H CA -0.687 55.439 56.048 0.129 0.000 1.216 490 H CB 2.527 32.349 29.762 0.100 0.000 1.529 490 H HN 0.306 nan 8.280 nan 0.000 0.519 491 V N 5.774 125.840 119.914 0.253 0.000 2.347 491 V HA 0.175 4.298 4.120 0.004 0.000 0.280 491 V C -1.923 174.247 176.094 0.127 0.000 1.021 491 V CA -1.681 60.730 62.300 0.184 0.000 0.847 491 V CB 1.161 33.102 31.823 0.197 0.000 0.990 491 V HN 0.608 nan 8.190 nan 0.000 0.444 492 P HA 0.107 nan 4.420 nan 0.000 0.268 492 P C -0.216 177.136 177.300 0.086 0.000 1.208 492 P CA 0.016 63.155 63.100 0.065 0.000 0.777 492 P CB 0.967 32.700 31.700 0.055 0.000 0.875 493 Q N -0.363 119.441 119.800 0.007 0.000 2.280 493 Q HA 0.118 4.460 4.340 0.004 0.000 0.228 493 Q C 0.527 176.534 176.000 0.012 0.000 0.857 493 Q CA 0.474 56.233 55.803 -0.073 0.000 0.939 493 Q CB 0.390 28.939 28.738 -0.316 0.000 1.114 493 Q HN 0.603 nan 8.270 nan 0.000 0.514 494 S N -0.649 115.107 115.700 0.093 0.000 2.568 494 S HA 0.417 4.889 4.470 0.004 0.000 0.293 494 S C 0.736 175.418 174.600 0.136 0.000 1.089 494 S CA -0.732 57.521 58.200 0.088 0.000 0.945 494 S CB 2.421 65.636 63.200 0.025 0.000 1.077 494 S HN -0.164 nan 8.310 nan 0.000 0.485 495 E N 1.840 122.119 120.200 0.132 0.000 2.038 495 E HA -0.193 4.159 4.350 0.004 0.000 0.195 495 E C 1.674 178.309 176.600 0.057 0.000 1.000 495 E CA 1.769 58.231 56.400 0.104 0.000 0.803 495 E CB -0.442 29.314 29.700 0.094 0.000 0.750 495 E HN 0.857 nan 8.360 nan 0.000 0.448 496 E N -0.063 120.164 120.200 0.044 0.000 2.136 496 E HA -0.219 4.133 4.350 0.004 0.000 0.202 496 E C 2.075 178.687 176.600 0.021 0.000 1.019 496 E CA 1.821 58.238 56.400 0.027 0.000 0.819 496 E CB -0.256 29.454 29.700 0.016 0.000 0.739 496 E HN 0.203 nan 8.360 nan 0.000 0.458 497 T N 0.345 114.915 114.554 0.027 0.000 2.809 497 T HA -0.045 4.308 4.350 0.004 0.000 0.260 497 T C 1.790 176.501 174.700 0.019 0.000 1.039 497 T CA 0.696 62.808 62.100 0.020 0.000 1.141 497 T CB -0.074 68.809 68.868 0.026 0.000 0.869 497 T HN 0.122 nan 8.240 nan 0.000 0.437 498 R N 1.258 121.772 120.500 0.023 0.000 2.112 498 R HA -0.146 4.197 4.340 0.004 0.000 0.242 498 R C 2.762 179.059 176.300 -0.006 0.000 1.137 498 R CA 1.618 57.714 56.100 -0.007 0.000 0.944 498 R CB -0.682 29.598 30.300 -0.033 0.000 0.857 498 R HN 0.363 nan 8.270 nan 0.000 0.435 499 A N 1.143 123.966 122.820 0.004 0.000 1.865 499 A HA -0.246 4.076 4.320 0.004 0.000 0.217 499 A C 2.010 179.596 177.584 0.003 0.000 1.191 499 A CA 1.702 53.741 52.037 0.004 0.000 0.623 499 A CB -0.557 18.451 19.000 0.013 0.000 0.826 499 A HN 0.438 nan 8.150 nan 0.000 0.444 500 E N -0.686 119.518 120.200 0.006 0.000 2.401 500 E HA -0.072 4.280 4.350 0.004 0.000 0.199 500 E C 1.706 178.305 176.600 -0.001 0.000 1.023 500 E CA 0.359 56.761 56.400 0.003 0.000 0.859 500 E CB -0.133 29.567 29.700 0.001 0.000 0.780 500 E HN 0.657 nan 8.360 nan 0.000 0.523 501 L N -0.261 120.963 121.223 0.002 0.000 2.168 501 L HA -0.021 4.321 4.340 0.004 0.000 0.203 501 L C 1.980 178.849 176.870 -0.002 0.000 1.078 501 L CA 1.106 55.950 54.840 0.006 0.000 0.780 501 L CB 0.066 42.135 42.059 0.016 0.000 0.939 501 L HN 0.147 nan 8.230 nan 0.000 0.451 502 S N -2.173 113.522 115.700 -0.007 0.000 2.583 502 S HA 0.134 4.606 4.470 0.004 0.000 0.239 502 S C 1.083 175.675 174.600 -0.015 0.000 0.966 502 S CA -0.435 57.757 58.200 -0.013 0.000 0.973 502 S CB 0.512 63.703 63.200 -0.015 0.000 0.794 502 S HN 0.286 nan 8.310 nan 0.000 0.463 503 Q N -0.062 119.730 119.800 -0.014 0.000 2.210 503 Q HA 0.431 4.774 4.340 0.004 0.000 0.252 503 Q C 0.854 176.839 176.000 -0.025 0.000 0.811 503 Q CA 0.399 56.193 55.803 -0.015 0.000 0.953 503 Q CB 0.456 29.190 28.738 -0.006 0.000 1.136 503 Q HN 0.537 nan 8.270 nan 0.000 0.491 504 L N -1.968 119.240 121.223 -0.026 0.000 2.746 504 L HA 0.167 4.510 4.340 0.004 0.000 0.230 504 L C 1.734 178.581 176.870 -0.037 0.000 1.034 504 L CA 0.392 55.209 54.840 -0.037 0.000 0.922 504 L CB -0.075 41.962 42.059 -0.036 0.000 1.496 504 L HN -0.051 nan 8.230 nan 0.000 0.498 505 C N 1.286 120.570 119.300 -0.026 0.000 2.539 505 C HA 0.464 4.927 4.460 0.004 0.000 0.268 505 C C 1.594 176.566 174.990 -0.031 0.000 1.395 505 C CA -0.707 58.298 59.018 -0.022 0.000 1.757 505 C CB -1.229 26.511 27.740 -0.000 0.000 1.851 505 C HN 0.391 nan 8.230 nan 0.000 0.545 506 A N 0.977 123.774 122.820 -0.039 0.000 2.540 506 A HA 0.284 4.606 4.320 0.004 0.000 0.239 506 A C 1.379 178.910 177.584 -0.087 0.000 1.061 506 A CA 0.265 52.266 52.037 -0.059 0.000 0.758 506 A CB 0.315 19.287 19.000 -0.046 0.000 0.991 506 A HN 0.264 nan 8.150 nan 0.000 0.502 507 V N 4.020 123.846 119.914 -0.147 0.000 2.332 507 V HA -0.165 3.957 4.120 0.004 0.000 0.248 507 V C -0.402 175.624 176.094 -0.114 0.000 1.055 507 V CA 2.605 64.799 62.300 -0.176 0.000 1.038 507 V CB -1.459 30.166 31.823 -0.329 0.000 0.651 507 V HN 0.804 nan 8.190 nan 0.000 0.450 508 P HA -0.109 nan 4.420 nan 0.000 0.218 508 P C 1.803 179.091 177.300 -0.020 0.000 1.149 508 P CA 1.256 64.340 63.100 -0.027 0.000 0.817 508 P CB -0.110 31.588 31.700 -0.004 0.000 0.785 509 L N -0.882 120.319 121.223 -0.037 0.000 2.131 509 L HA -0.163 4.180 4.340 0.004 0.000 0.210 509 L C 2.023 178.864 176.870 -0.050 0.000 1.092 509 L CA 1.182 56.000 54.840 -0.038 0.000 0.759 509 L CB -1.126 40.907 42.059 -0.043 0.000 0.903 509 L HN 0.009 nan 8.230 nan 0.000 0.435 510 Q N 0.133 119.895 119.800 -0.064 0.000 2.444 510 Q HA 0.093 4.436 4.340 0.004 0.000 0.206 510 Q C 2.131 178.091 176.000 -0.067 0.000 0.948 510 Q CA 0.528 56.283 55.803 -0.080 0.000 0.946 510 Q CB 0.136 28.807 28.738 -0.112 0.000 1.027 510 Q HN 0.630 nan 8.270 nan 0.000 0.513 511 I N -0.089 120.465 120.570 -0.026 0.000 2.264 511 I HA -0.143 4.030 4.170 0.004 0.000 0.248 511 I C 1.198 177.335 176.117 0.033 0.000 1.111 511 I CA 0.757 62.072 61.300 0.025 0.000 1.382 511 I CB -0.010 38.060 38.000 0.117 0.000 1.060 511 I HN -0.057 nan 8.210 nan 0.000 0.418 512 V N 1.471 121.395 119.914 0.017 0.000 2.348 512 V HA 0.214 4.336 4.120 0.004 0.000 0.270 512 V C 0.309 176.395 176.094 -0.013 0.000 1.037 512 V CA -0.353 61.969 62.300 0.036 0.000 0.872 512 V CB 1.188 33.042 31.823 0.052 0.000 1.002 512 V HN 0.218 nan 8.190 nan 0.000 0.464 513 S N 8.446 124.136 115.700 -0.018 0.000 2.510 513 S HA 0.397 4.870 4.470 0.004 0.000 0.279 513 S C -1.598 172.998 174.600 -0.007 0.000 1.284 513 S CA -0.928 57.246 58.200 -0.044 0.000 1.059 513 S CB 1.224 64.381 63.200 -0.072 0.000 0.901 513 S HN 0.796 nan 8.310 nan 0.000 0.491 514 P HA 0.059 nan 4.420 nan 0.000 0.249 514 P C 0.729 178.137 177.300 0.180 0.000 1.241 514 P CA 0.262 63.406 63.100 0.073 0.000 0.781 514 P CB 0.123 31.865 31.700 0.070 0.000 1.088 515 Q N 0.332 120.186 119.800 0.089 0.000 2.063 515 Q HA 0.047 4.390 4.340 0.004 0.000 0.194 515 Q C -0.049 175.969 176.000 0.030 0.000 0.974 515 Q CA 0.880 56.730 55.803 0.080 0.000 0.827 515 Q CB 0.276 28.996 28.738 -0.030 0.000 0.902 515 Q HN 0.127 nan 8.270 nan 0.000 0.462 516 S N 1.533 117.201 115.700 -0.053 0.000 2.502 516 S HA 0.356 4.829 4.470 0.004 0.000 0.304 516 S C -1.017 173.584 174.600 0.002 0.000 1.097 516 S CA -1.024 57.084 58.200 -0.153 0.000 1.045 516 S CB 1.198 64.281 63.200 -0.196 0.000 1.019 516 S HN 0.385 nan 8.310 nan 0.000 0.481 517 N N 3.112 121.861 118.700 0.083 0.000 2.394 517 N HA 0.272 5.014 4.740 0.004 0.000 0.288 517 N C -0.271 175.233 175.510 -0.010 0.000 1.272 517 N CA -0.227 52.884 53.050 0.102 0.000 1.004 517 N CB -0.110 38.485 38.487 0.180 0.000 1.393 517 N HN 0.693 nan 8.380 nan 0.000 0.488 518 K N 0.541 120.901 120.400 -0.067 0.000 2.774 518 K HA 0.262 4.584 4.320 0.004 0.000 0.283 518 K C -3.736 172.829 176.600 -0.058 0.000 1.050 518 K CA -1.273 54.884 56.287 -0.216 0.000 0.872 518 K CB 0.531 32.953 32.500 -0.131 0.000 1.434 518 K HN 0.083 nan 8.250 nan 0.000 0.372 519 P HA 0.172 nan 4.420 nan 0.000 0.271 519 P C 0.922 178.237 177.300 0.026 0.000 1.220 519 P CA -0.447 62.692 63.100 0.064 0.000 0.768 519 P CB 0.304 32.073 31.700 0.116 0.000 0.848 520 C N 2.059 121.363 119.300 0.006 0.000 2.791 520 C HA 0.415 4.877 4.460 0.004 0.000 0.270 520 C C 0.520 175.497 174.990 -0.022 0.000 1.257 520 C CA -0.311 58.685 59.018 -0.036 0.000 1.699 520 C CB -1.326 26.346 27.740 -0.113 0.000 1.904 520 C HN 0.373 nan 8.230 nan 0.000 0.603 521 M N 1.460 121.082 119.600 0.038 0.000 2.456 521 M HA 0.689 5.171 4.480 0.004 0.000 0.324 521 M C 0.170 176.621 176.300 0.251 0.000 1.124 521 M CA 0.200 55.526 55.300 0.044 0.000 0.959 521 M CB 1.994 34.511 32.600 -0.137 0.000 1.692 521 M HN 0.365 nan 8.290 nan 0.000 0.444 522 G N 1.471 110.419 108.800 0.247 0.000 2.815 522 G HA2 0.698 4.661 3.960 0.004 0.000 0.305 522 G HA3 0.698 4.661 3.960 0.004 0.000 0.305 522 G C -1.783 173.313 174.900 0.327 0.000 1.277 522 G CA -0.644 44.659 45.100 0.338 0.000 0.795 522 G HN 0.475 nan 8.290 nan 0.000 0.528 523 I N 1.114 121.801 120.570 0.195 0.000 2.301 523 I HA 0.427 4.599 4.170 0.004 0.000 0.292 523 I C 0.022 176.190 176.117 0.085 0.000 1.046 523 I CA -0.360 61.023 61.300 0.139 0.000 1.282 523 I CB 1.113 39.155 38.000 0.071 0.000 1.409 523 I HN 0.141 nan 8.210 nan 0.000 0.484 524 V N 6.433 126.398 119.914 0.085 0.000 2.628 524 V HA 0.515 4.638 4.120 0.004 0.000 0.306 524 V C 0.394 176.521 176.094 0.054 0.000 1.045 524 V CA -0.708 61.630 62.300 0.062 0.000 0.905 524 V CB 1.351 33.213 31.823 0.066 0.000 0.997 524 V HN 0.874 nan 8.190 nan 0.000 0.436 525 Q N 1.062 120.886 119.800 0.040 0.000 1.669 525 Q HA -0.348 3.994 4.340 0.004 0.000 0.383 525 Q C 1.027 177.042 176.000 0.025 0.000 0.879 525 Q CA 1.758 57.586 55.803 0.041 0.000 0.787 525 Q CB -0.867 27.909 28.738 0.064 0.000 3.896 525 Q HN 0.945 nan 8.270 nan 0.000 0.687 526 D N -0.315 120.110 120.400 0.041 0.000 2.303 526 D HA -0.231 4.411 4.640 0.004 0.000 0.190 526 D C 1.947 178.247 176.300 0.001 0.000 1.011 526 D CA 3.107 57.122 54.000 0.024 0.000 0.860 526 D CB -0.740 40.089 40.800 0.047 0.000 0.961 526 D HN 0.723 nan 8.370 nan 0.000 0.453 527 T N -0.993 113.573 114.554 0.019 0.000 2.699 527 T HA -0.232 4.120 4.350 0.004 0.000 0.268 527 T C 1.972 176.666 174.700 -0.011 0.000 1.036 527 T CA 1.631 63.739 62.100 0.013 0.000 1.147 527 T CB -0.557 68.331 68.868 0.033 0.000 0.862 527 T HN 0.143 nan 8.240 nan 0.000 0.446 528 L N 0.820 122.036 121.223 -0.011 0.000 2.072 528 L HA 0.170 4.512 4.340 0.004 0.000 0.205 528 L C 2.891 179.718 176.870 -0.073 0.000 1.079 528 L CA 1.721 56.542 54.840 -0.031 0.000 0.752 528 L CB -1.267 40.785 42.059 -0.012 0.000 0.906 528 L HN 0.628 nan 8.230 nan 0.000 0.436 529 C N -0.274 118.965 119.300 -0.102 0.000 2.419 529 C HA 0.059 4.521 4.460 0.004 0.000 0.283 529 C C 2.520 177.376 174.990 -0.223 0.000 1.373 529 C CA 0.737 59.632 59.018 -0.206 0.000 1.781 529 C CB -1.708 25.849 27.740 -0.304 0.000 1.886 529 C HN 0.685 nan 8.230 nan 0.000 0.520 530 G N -0.577 108.150 108.800 -0.122 0.000 2.709 530 G HA2 0.110 4.072 3.960 0.004 0.000 0.208 530 G HA3 0.110 4.072 3.960 0.004 0.000 0.208 530 G C 1.285 176.134 174.900 -0.085 0.000 1.129 530 G CA 0.392 45.471 45.100 -0.035 0.000 0.793 530 G HN 0.574 nan 8.290 nan 0.000 0.524 531 I N 0.335 120.849 120.570 -0.094 0.000 3.605 531 I HA 0.240 4.413 4.170 0.004 0.000 0.301 531 I C 2.165 178.196 176.117 -0.144 0.000 1.267 531 I CA 0.052 61.275 61.300 -0.129 0.000 1.236 531 I CB -0.012 37.933 38.000 -0.091 0.000 1.010 531 I HN 0.114 nan 8.210 nan 0.000 0.491 532 R N 0.606 121.021 120.500 -0.142 0.000 2.056 532 R HA -0.005 4.338 4.340 0.004 0.000 0.215 532 R C 2.069 178.263 176.300 -0.177 0.000 1.205 532 R CA 0.278 56.295 56.100 -0.139 0.000 1.020 532 R CB -0.044 30.189 30.300 -0.113 0.000 0.911 532 R HN 0.147 nan 8.270 nan 0.000 0.451 533 K N 0.967 121.269 120.400 -0.163 0.000 2.049 533 K HA -0.255 4.067 4.320 0.004 0.000 0.219 533 K C 2.117 178.463 176.600 -0.423 0.000 1.056 533 K CA 1.972 58.161 56.287 -0.164 0.000 0.946 533 K CB -0.667 31.867 32.500 0.058 0.000 0.723 533 K HN 0.186 nan 8.250 nan 0.000 0.453 534 L N 1.401 122.205 121.223 -0.698 0.000 2.189 534 L HA -0.167 4.175 4.340 0.004 0.000 0.214 534 L C 1.843 178.402 176.870 -0.518 0.000 1.097 534 L CA 1.784 56.062 54.840 -0.936 0.000 0.764 534 L CB -0.320 41.261 42.059 -0.798 0.000 0.900 534 L HN 0.249 nan 8.230 nan 0.000 0.436 535 T N -1.425 112.926 114.554 -0.340 0.000 3.060 535 T HA 0.222 4.575 4.350 0.004 0.000 0.249 535 T C 0.816 175.398 174.700 -0.196 0.000 1.079 535 T CA -0.455 61.505 62.100 -0.234 0.000 1.013 535 T CB -0.221 68.538 68.868 -0.181 0.000 0.975 535 T HN 0.072 nan 8.240 nan 0.000 0.518 536 L N 1.615 122.717 121.223 -0.203 0.000 2.516 536 L HA 0.126 4.469 4.340 0.004 0.000 0.288 536 L C 2.046 178.790 176.870 -0.209 0.000 1.246 536 L CA -0.238 54.505 54.840 -0.163 0.000 0.844 536 L CB 0.490 42.471 42.059 -0.129 0.000 1.106 536 L HN 0.062 nan 8.230 nan 0.000 0.509 537 R N 0.777 121.174 120.500 -0.172 0.000 2.081 537 R HA -0.149 4.194 4.340 0.004 0.000 0.235 537 R C 1.397 177.436 176.300 -0.434 0.000 1.131 537 R CA 1.409 57.375 56.100 -0.224 0.000 0.960 537 R CB -0.165 30.074 30.300 -0.101 0.000 0.856 537 R HN 0.687 nan 8.270 nan 0.000 0.436 538 D N 0.360 120.583 120.400 -0.296 0.000 2.158 538 D HA -0.088 4.555 4.640 0.004 0.000 0.197 538 D C 0.198 176.228 176.300 -0.450 0.000 0.995 538 D CA 1.091 54.922 54.000 -0.281 0.000 0.846 538 D CB -0.224 40.524 40.800 -0.088 0.000 0.941 538 D HN 0.044 nan 8.370 nan 0.000 0.456 539 T N 1.167 115.487 114.554 -0.390 0.000 2.771 539 T HA 0.107 4.459 4.350 0.004 0.000 0.277 539 T C -0.112 174.372 174.700 -0.360 0.000 0.919 539 T CA 0.210 62.152 62.100 -0.263 0.000 1.163 539 T CB -0.568 68.135 68.868 -0.275 0.000 0.876 539 T HN -0.086 nan 8.240 nan 0.000 0.545 540 F N 3.564 123.577 119.950 0.106 0.000 2.449 540 F HA 0.524 5.053 4.527 0.004 0.000 0.342 540 F C 0.485 176.395 175.800 0.183 0.000 1.127 540 F CA -1.243 56.836 58.000 0.132 0.000 0.975 540 F CB 1.140 40.215 39.000 0.125 0.000 1.146 540 F HN 0.322 nan 8.300 nan 0.000 0.444 541 I N 2.738 123.544 120.570 0.393 0.000 2.783 541 I HA 0.397 4.570 4.170 0.004 0.000 0.312 541 I C -0.265 176.028 176.117 0.293 0.000 0.988 541 I CA -0.657 60.825 61.300 0.304 0.000 1.182 541 I CB 1.673 39.802 38.000 0.214 0.000 1.368 541 I HN 0.632 nan 8.210 nan 0.000 0.511 542 E N 2.732 123.032 120.200 0.166 0.000 2.423 542 E HA 0.292 4.645 4.350 0.004 0.000 0.269 542 E C 0.293 176.843 176.600 -0.083 0.000 0.948 542 E CA -0.821 55.663 56.400 0.140 0.000 0.802 542 E CB 1.638 31.439 29.700 0.169 0.000 1.339 542 E HN 0.336 nan 8.360 nan 0.000 0.445 543 L N 1.783 122.951 121.223 -0.091 0.000 1.997 543 L HA -0.341 4.002 4.340 0.004 0.000 0.227 543 L C 1.944 178.728 176.870 -0.145 0.000 1.087 543 L CA 3.183 57.901 54.840 -0.203 0.000 0.797 543 L CB -0.901 41.162 42.059 0.008 0.000 0.902 543 L HN 0.916 nan 8.230 nan 0.000 0.441 544 D N -1.425 118.949 120.400 -0.044 0.000 2.154 544 D HA -0.321 4.322 4.640 0.004 0.000 0.190 544 D C 1.973 178.264 176.300 -0.014 0.000 1.003 544 D CA 2.206 56.195 54.000 -0.018 0.000 0.849 544 D CB -0.803 40.004 40.800 0.013 0.000 0.942 544 D HN 0.641 nan 8.370 nan 0.000 0.446 545 Q N -0.198 119.597 119.800 -0.008 0.000 2.083 545 Q HA -0.028 4.314 4.340 0.004 0.000 0.198 545 Q C 2.578 178.585 176.000 0.013 0.000 0.969 545 Q CA 0.864 56.696 55.803 0.049 0.000 0.838 545 Q CB 0.080 28.840 28.738 0.038 0.000 0.900 545 Q HN 0.213 nan 8.270 nan 0.000 0.436 546 V N 1.426 121.244 119.914 -0.160 0.000 2.255 546 V HA -0.317 3.806 4.120 0.004 0.000 0.247 546 V C 2.246 178.154 176.094 -0.310 0.000 1.051 546 V CA 1.781 63.872 62.300 -0.348 0.000 1.018 546 V CB -0.625 30.669 31.823 -0.881 0.000 0.641 546 V HN 0.361 nan 8.190 nan 0.000 0.445 547 L N -0.095 120.964 121.223 -0.273 0.000 2.017 547 L HA -0.186 4.157 4.340 0.004 0.000 0.208 547 L C 2.492 179.242 176.870 -0.200 0.000 1.073 547 L CA 1.693 56.393 54.840 -0.234 0.000 0.745 547 L CB -1.069 40.903 42.059 -0.145 0.000 0.894 547 L HN 0.342 nan 8.230 nan 0.000 0.432 548 N N 0.341 118.982 118.700 -0.097 0.000 2.060 548 N HA -0.222 4.521 4.740 0.004 0.000 0.195 548 N C 1.895 177.339 175.510 -0.111 0.000 1.028 548 N CA 1.845 54.837 53.050 -0.097 0.000 0.861 548 N CB -0.317 38.147 38.487 -0.038 0.000 1.029 548 N HN 0.380 nan 8.380 nan 0.000 0.428 549 M N 0.130 119.712 119.600 -0.029 0.000 2.065 549 M HA -0.145 4.337 4.480 0.004 0.000 0.259 549 M C 1.884 178.089 176.300 -0.157 0.000 1.071 549 M CA 1.178 56.488 55.300 0.017 0.000 1.109 549 M CB -0.569 32.065 32.600 0.056 0.000 1.313 549 M HN 0.042 nan 8.290 nan 0.000 0.408 550 L N -0.185 120.783 121.223 -0.426 0.000 2.010 550 L HA -0.276 4.067 4.340 0.004 0.000 0.219 550 L C 2.588 178.934 176.870 -0.874 0.000 1.077 550 L CA 2.150 56.378 54.840 -1.020 0.000 0.773 550 L CB -1.941 39.165 42.059 -1.589 0.000 0.892 550 L HN 0.333 nan 8.230 nan 0.000 0.436 551 Y N -1.400 118.487 120.300 -0.687 0.000 2.224 551 Y HA -0.261 4.291 4.550 0.004 0.000 0.289 551 Y C 2.445 178.201 175.900 -0.240 0.000 1.146 551 Y CA 0.806 58.680 58.100 -0.376 0.000 1.182 551 Y CB -0.816 37.446 38.460 -0.331 0.000 0.983 551 Y HN 0.127 nan 8.280 nan 0.000 0.524 552 W N 0.012 121.108 121.300 -0.340 0.000 2.338 552 W HA -0.124 4.538 4.660 0.004 0.000 0.304 552 W C 0.775 177.162 176.519 -0.220 0.000 1.212 552 W CA 1.210 58.331 57.345 -0.373 0.000 1.264 552 W CB -0.363 28.868 29.460 -0.382 0.000 1.142 552 W HN -0.350 nan 8.180 nan 0.000 0.512 553 V N 3.091 123.080 119.914 0.126 0.000 2.521 553 V HA 0.041 4.163 4.120 0.004 0.000 0.286 553 V C -1.731 174.471 176.094 0.180 0.000 1.034 553 V CA -1.419 60.965 62.300 0.140 0.000 1.045 553 V CB 0.345 32.239 31.823 0.118 0.000 0.974 553 V HN -0.222 nan 8.190 nan 0.000 0.480 554 P HA 0.344 nan 4.420 nan 0.000 0.282 554 P C -0.281 177.121 177.300 0.170 0.000 1.249 554 P CA -0.192 62.992 63.100 0.140 0.000 0.806 554 P CB 0.478 32.233 31.700 0.092 0.000 0.984 555 D N -1.999 118.500 120.400 0.166 0.000 2.983 555 D HA -0.197 4.445 4.640 0.004 0.000 0.225 555 D C -0.532 175.871 176.300 0.172 0.000 1.174 555 D CA 0.753 54.832 54.000 0.131 0.000 0.831 555 D CB -2.071 38.780 40.800 0.083 0.000 1.104 555 D HN 0.510 nan 8.370 nan 0.000 0.421 556 W N 2.919 124.257 121.300 0.062 0.000 2.417 556 W HA 0.152 4.814 4.660 0.004 0.000 0.332 556 W C 1.287 177.836 176.519 0.049 0.000 1.413 556 W CA -0.053 57.330 57.345 0.063 0.000 1.299 556 W CB 0.480 29.994 29.460 0.089 0.000 1.304 556 W HN 0.078 nan 8.180 nan 0.000 0.565 557 D N 4.121 124.269 120.400 -0.420 0.000 2.362 557 D HA -0.184 4.459 4.640 0.004 0.000 0.215 557 D C 1.478 177.303 176.300 -0.792 0.000 0.978 557 D CA 1.459 55.175 54.000 -0.474 0.000 0.921 557 D CB -0.753 39.883 40.800 -0.274 0.000 0.895 557 D HN 0.979 nan 8.370 nan 0.000 0.494 558 G N -0.887 106.872 108.800 -1.735 0.000 2.256 558 G HA2 -0.138 3.824 3.960 0.004 0.000 0.272 558 G HA3 -0.138 3.824 3.960 0.004 0.000 0.272 558 G C -0.203 174.078 174.900 -1.031 0.000 1.076 558 G CA 0.168 44.238 45.100 -1.717 0.000 0.882 558 G HN 0.549 nan 8.290 nan 0.000 0.497 559 V N 2.166 121.535 119.914 -0.909 0.000 2.509 559 V HA 0.324 4.447 4.120 0.004 0.000 0.289 559 V C 0.433 176.680 176.094 0.256 0.000 1.026 559 V CA -1.336 60.856 62.300 -0.181 0.000 0.872 559 V CB 1.496 33.237 31.823 -0.138 0.000 1.017 559 V HN 0.342 nan 8.190 nan 0.000 0.436 560 I N 6.075 126.873 120.570 0.380 0.000 2.741 560 I HA 0.145 4.317 4.170 0.004 0.000 0.288 560 I C -1.954 174.390 176.117 0.379 0.000 1.192 560 I CA -1.817 59.758 61.300 0.459 0.000 1.426 560 I CB -0.108 38.122 38.000 0.383 0.000 1.367 560 I HN 0.380 nan 8.210 nan 0.000 0.563 561 P HA 0.156 nan 4.420 nan 0.000 0.276 561 P C -0.354 177.140 177.300 0.324 0.000 1.230 561 P CA -0.244 63.071 63.100 0.359 0.000 0.776 561 P CB 0.284 32.221 31.700 0.395 0.000 0.888 562 T N 5.409 120.030 114.554 0.111 0.000 2.902 562 T HA 0.156 4.508 4.350 0.004 0.000 0.301 562 T C -2.121 172.400 174.700 -0.299 0.000 1.012 562 T CA -0.726 61.344 62.100 -0.051 0.000 1.151 562 T CB -0.594 68.248 68.868 -0.043 0.000 0.946 562 T HN 0.297 nan 8.240 nan 0.000 0.542 563 P HA 0.214 nan 4.420 nan 0.000 0.268 563 P C 0.468 177.430 177.300 -0.563 0.000 1.204 563 P CA -0.242 62.114 63.100 -1.239 0.000 0.768 563 P CB 0.482 31.312 31.700 -1.450 0.000 0.842 564 A N 4.635 127.220 122.820 -0.392 0.000 1.845 564 A HA -0.112 4.211 4.320 0.004 0.000 0.215 564 A C 1.079 178.557 177.584 -0.178 0.000 1.195 564 A CA 1.171 53.111 52.037 -0.161 0.000 0.616 564 A CB -0.953 18.042 19.000 -0.008 0.000 0.832 564 A HN 0.555 nan 8.150 nan 0.000 0.443 565 I N 0.145 120.577 120.570 -0.230 0.000 2.325 565 I HA 0.238 4.411 4.170 0.004 0.000 0.291 565 I C 0.508 176.464 176.117 -0.269 0.000 1.019 565 I CA 0.166 61.322 61.300 -0.241 0.000 1.302 565 I CB 1.375 39.177 38.000 -0.330 0.000 1.401 565 I HN 0.388 nan 8.210 nan 0.000 0.485 566 I N 7.355 127.804 120.570 -0.202 0.000 4.050 566 I HA 0.061 4.234 4.170 0.004 0.000 0.327 566 I C 1.236 177.284 176.117 -0.115 0.000 1.473 566 I CA -0.297 60.896 61.300 -0.178 0.000 1.124 566 I CB -0.205 37.695 38.000 -0.167 0.000 1.129 566 I HN 0.564 nan 8.210 nan 0.000 0.428 567 K N 1.267 121.601 120.400 -0.109 0.000 2.633 567 K HA 0.136 4.459 4.320 0.004 0.000 0.283 567 K C -1.437 175.126 176.600 -0.063 0.000 1.081 567 K CA -0.178 56.062 56.287 -0.078 0.000 0.923 567 K CB -1.439 31.013 32.500 -0.080 0.000 1.110 567 K HN -0.213 nan 8.250 nan 0.000 0.480 568 P HA -0.223 nan 4.420 nan 0.000 0.221 568 P C -0.513 176.771 177.300 -0.026 0.000 1.153 568 P CA 1.765 64.846 63.100 -0.031 0.000 0.858 568 P CB 0.109 31.793 31.700 -0.027 0.000 0.783 569 K N -1.631 118.744 120.400 -0.042 0.000 2.637 569 K HA 0.306 4.629 4.320 0.004 0.000 0.248 569 K C -2.920 173.659 176.600 -0.035 0.000 0.971 569 K CA -2.341 53.934 56.287 -0.019 0.000 0.858 569 K CB 1.519 34.015 32.500 -0.008 0.000 1.170 569 K HN -0.265 nan 8.250 nan 0.000 0.443 570 P HA -0.025 nan 4.420 nan 0.000 0.254 570 P C -1.238 176.140 177.300 0.130 0.000 1.186 570 P CA 0.052 63.127 63.100 -0.041 0.000 0.868 570 P CB 0.272 31.999 31.700 0.046 0.000 0.856 571 L N 3.740 124.960 121.223 -0.006 0.000 2.309 571 L HA 0.596 4.939 4.340 0.004 0.000 0.261 571 L C -0.407 176.591 176.870 0.214 0.000 1.021 571 L CA -0.677 54.333 54.840 0.283 0.000 0.823 571 L CB 1.282 43.352 42.059 0.019 0.000 1.366 571 L HN 0.369 nan 8.230 nan 0.000 0.423 572 W N -0.094 121.265 121.300 0.099 0.000 2.719 572 W HA 0.537 5.200 4.660 0.004 0.000 0.352 572 W C 0.285 176.977 176.519 0.289 0.000 1.085 572 W CA -0.721 56.708 57.345 0.140 0.000 1.187 572 W CB 2.123 31.648 29.460 0.109 0.000 1.417 572 W HN 0.435 nan 8.180 nan 0.000 0.557 573 S N 0.409 116.384 115.700 0.458 0.000 2.624 573 S HA 0.300 4.773 4.470 0.004 0.000 0.263 573 S C 1.117 175.814 174.600 0.162 0.000 1.287 573 S CA 0.549 58.947 58.200 0.331 0.000 0.990 573 S CB 1.068 64.382 63.200 0.189 0.000 0.950 573 S HN 0.617 nan 8.310 nan 0.000 0.561 574 G N 2.141 110.918 108.800 -0.039 0.000 2.575 574 G HA2 -0.194 3.768 3.960 0.004 0.000 0.215 574 G HA3 -0.194 3.768 3.960 0.004 0.000 0.215 574 G C 1.187 176.024 174.900 -0.104 0.000 1.262 574 G CA 1.049 46.046 45.100 -0.172 0.000 0.807 574 G HN 0.872 nan 8.290 nan 0.000 0.567 575 K N 0.100 120.440 120.400 -0.101 0.000 2.127 575 K HA -0.270 4.052 4.320 0.004 0.000 0.212 575 K C 2.431 179.037 176.600 0.010 0.000 1.050 575 K CA 1.522 57.774 56.287 -0.058 0.000 0.929 575 K CB -0.406 32.066 32.500 -0.047 0.000 0.715 575 K HN 0.231 nan 8.250 nan 0.000 0.457 576 Q N 0.664 120.507 119.800 0.071 0.000 2.065 576 Q HA -0.238 4.104 4.340 0.004 0.000 0.213 576 Q C 2.375 178.465 176.000 0.150 0.000 1.012 576 Q CA 2.585 58.478 55.803 0.149 0.000 0.876 576 Q CB -0.332 28.569 28.738 0.271 0.000 0.954 576 Q HN 0.666 nan 8.270 nan 0.000 0.413 577 I N -2.480 118.161 120.570 0.118 0.000 2.703 577 I HA -0.061 4.111 4.170 0.004 0.000 0.259 577 I C 2.139 178.274 176.117 0.031 0.000 1.151 577 I CA 0.547 61.896 61.300 0.080 0.000 1.470 577 I CB -0.550 37.460 38.000 0.017 0.000 1.112 577 I HN 0.047 nan 8.210 nan 0.000 0.437 578 L N 1.402 122.619 121.223 -0.009 0.000 2.079 578 L HA -0.118 4.224 4.340 0.004 0.000 0.210 578 L C 2.261 179.129 176.870 -0.003 0.000 1.081 578 L CA 1.894 56.717 54.840 -0.030 0.000 0.752 578 L CB -1.061 40.953 42.059 -0.075 0.000 0.896 578 L HN 0.302 nan 8.230 nan 0.000 0.433 579 S N -1.082 114.627 115.700 0.016 0.000 2.493 579 S HA -0.122 4.351 4.470 0.004 0.000 0.243 579 S C 1.806 176.439 174.600 0.055 0.000 0.991 579 S CA 1.158 59.375 58.200 0.028 0.000 0.957 579 S CB -0.476 62.751 63.200 0.045 0.000 0.756 579 S HN 0.398 nan 8.310 nan 0.000 0.521 580 V N 0.856 120.818 119.914 0.079 0.000 3.235 580 V HA 0.076 4.198 4.120 0.004 0.000 0.259 580 V C 2.312 178.473 176.094 0.112 0.000 1.133 580 V CA 1.123 63.503 62.300 0.133 0.000 1.128 580 V CB -0.595 31.333 31.823 0.176 0.000 0.757 580 V HN 0.533 nan 8.190 nan 0.000 0.469 581 A N -0.026 122.829 122.820 0.057 0.000 1.970 581 A HA 0.156 4.478 4.320 0.004 0.000 0.216 581 A C 1.143 178.738 177.584 0.018 0.000 1.170 581 A CA 0.429 52.490 52.037 0.039 0.000 0.645 581 A CB -0.258 18.747 19.000 0.007 0.000 0.816 581 A HN 0.475 nan 8.150 nan 0.000 0.447 582 I N 1.660 122.232 120.570 0.002 0.000 2.533 582 I HA 0.126 4.299 4.170 0.004 0.000 0.284 582 I C -2.075 174.036 176.117 -0.010 0.000 1.109 582 I CA -1.810 59.477 61.300 -0.022 0.000 1.412 582 I CB 0.668 38.647 38.000 -0.036 0.000 1.396 582 I HN 0.099 nan 8.210 nan 0.000 0.543 583 P HA 0.069 nan 4.420 nan 0.000 0.274 583 P C -0.931 176.345 177.300 -0.041 0.000 1.264 583 P CA -0.214 62.872 63.100 -0.022 0.000 0.795 583 P CB 0.432 32.113 31.700 -0.032 0.000 1.064 584 N N -1.265 117.410 118.700 -0.042 0.000 2.476 584 N HA 0.453 5.195 4.740 0.004 0.000 0.276 584 N C 0.821 176.266 175.510 -0.110 0.000 1.204 584 N CA 0.300 53.314 53.050 -0.060 0.000 0.974 584 N CB -0.187 38.283 38.487 -0.028 0.000 1.204 584 N HN 0.667 nan 8.380 nan 0.000 0.543 585 G N -0.523 108.183 108.800 -0.157 0.000 2.203 585 G HA2 -0.222 3.740 3.960 0.004 0.000 0.263 585 G HA3 -0.222 3.740 3.960 0.004 0.000 0.263 585 G C -0.498 174.128 174.900 -0.458 0.000 1.012 585 G CA -0.002 44.961 45.100 -0.228 0.000 0.749 585 G HN 0.406 nan 8.290 nan 0.000 0.512 586 I N 1.798 122.052 120.570 -0.527 0.000 2.355 586 I HA 0.380 4.553 4.170 0.004 0.000 0.288 586 I C 0.057 175.881 176.117 -0.489 0.000 0.999 586 I CA -0.707 60.354 61.300 -0.398 0.000 1.163 586 I CB 0.931 38.820 38.000 -0.185 0.000 1.316 586 I HN 0.118 nan 8.210 nan 0.000 0.454 587 H N 6.404 125.481 119.070 0.012 0.000 2.524 587 H HA 0.648 5.206 4.556 0.004 0.000 0.353 587 H C -1.028 174.308 175.328 0.013 0.000 1.136 587 H CA -0.905 55.153 56.048 0.017 0.000 1.193 587 H CB 3.279 33.062 29.762 0.034 0.000 1.558 587 H HN 0.352 nan 8.280 nan 0.000 0.515 588 L N 1.852 123.145 121.223 0.116 0.000 2.493 588 L HA 0.291 4.634 4.340 0.004 0.000 0.265 588 L C -1.170 175.711 176.870 0.017 0.000 0.954 588 L CA -0.257 54.611 54.840 0.046 0.000 0.844 588 L CB 2.418 44.470 42.059 -0.011 0.000 1.302 588 L HN 0.674 nan 8.230 nan 0.000 0.405 589 Q N 4.137 123.954 119.800 0.028 0.000 2.323 589 Q HA 0.528 4.870 4.340 0.004 0.000 0.271 589 Q C -0.584 175.419 176.000 0.005 0.000 1.048 589 Q CA -0.450 55.363 55.803 0.016 0.000 0.792 589 Q CB 2.301 31.121 28.738 0.137 0.000 1.280 589 Q HN 0.823 nan 8.270 nan 0.000 0.441 590 R N 2.510 122.942 120.500 -0.113 0.000 2.081 590 R HA 0.356 4.699 4.340 0.004 0.000 0.158 590 R C -0.792 175.584 176.300 0.127 0.000 1.886 590 R CA 0.262 56.337 56.100 -0.041 0.000 1.479 590 R CB 0.660 30.884 30.300 -0.125 0.000 1.254 590 R HN 0.720 nan 8.270 nan 0.000 0.475 591 F N 2.112 122.073 119.950 0.018 0.000 2.349 591 F HA -0.223 4.307 4.527 0.004 0.000 0.463 591 F C 0.301 176.117 175.800 0.028 0.000 1.204 591 F CA 0.150 58.183 58.000 0.054 0.000 1.483 591 F CB -0.986 38.052 39.000 0.063 0.000 2.274 591 F HN 0.403 nan 8.300 nan 0.000 0.756 592 D N 0.835 121.313 120.400 0.130 0.000 2.081 592 D HA -0.121 4.521 4.640 0.004 0.000 0.194 592 D C 1.797 178.152 176.300 0.092 0.000 0.986 592 D CA 2.211 56.260 54.000 0.082 0.000 0.837 592 D CB 0.230 41.053 40.800 0.038 0.000 0.985 592 D HN 0.655 nan 8.370 nan 0.000 0.448 593 E N -1.628 118.632 120.200 0.100 0.000 3.902 593 E HA 0.220 4.573 4.350 0.004 0.000 0.247 593 E C 0.404 177.056 176.600 0.087 0.000 1.284 593 E CA 0.353 56.799 56.400 0.077 0.000 1.773 593 E CB 0.233 29.961 29.700 0.046 0.000 1.684 593 E HN 0.080 nan 8.360 nan 0.000 0.762 594 G N 1.053 109.904 108.800 0.086 0.000 3.628 594 G HA2 0.405 4.367 3.960 0.004 0.000 0.328 594 G HA3 0.405 4.367 3.960 0.004 0.000 0.328 594 G C -0.803 174.170 174.900 0.123 0.000 1.200 594 G CA -0.197 44.953 45.100 0.082 0.000 1.364 594 G HN 0.018 nan 8.290 nan 0.000 0.503 595 T N 0.707 115.375 114.554 0.190 0.000 3.155 595 T HA 0.266 4.618 4.350 0.004 0.000 0.384 595 T C 0.982 175.887 174.700 0.343 0.000 1.351 595 T CA -0.476 61.806 62.100 0.304 0.000 1.198 595 T CB 0.764 69.903 68.868 0.452 0.000 1.106 595 T HN 0.387 nan 8.240 nan 0.000 0.564 596 T N 0.387 115.040 114.554 0.164 0.000 3.260 596 T HA 0.326 4.679 4.350 0.004 0.000 0.254 596 T C 1.059 175.780 174.700 0.035 0.000 0.951 596 T CA -0.581 61.581 62.100 0.103 0.000 0.918 596 T CB -0.947 67.940 68.868 0.033 0.000 1.098 596 T HN 0.512 nan 8.240 nan 0.000 0.563 597 L N -1.200 120.052 121.223 0.048 0.000 4.367 597 L HA -0.240 4.102 4.340 0.004 0.000 0.424 597 L C 1.034 177.573 176.870 -0.551 0.000 1.152 597 L CA 0.861 55.541 54.840 -0.266 0.000 0.974 597 L CB -1.775 40.277 42.059 -0.012 0.000 2.012 597 L HN 0.480 nan 8.230 nan 0.000 0.922 598 L N -1.881 119.076 121.223 -0.444 0.000 2.815 598 L HA 0.209 4.552 4.340 0.004 0.000 0.241 598 L C 0.828 177.543 176.870 -0.259 0.000 1.047 598 L CA 0.666 55.295 54.840 -0.352 0.000 0.939 598 L CB 0.504 42.469 42.059 -0.157 0.000 1.490 598 L HN 0.435 nan 8.230 nan 0.000 0.510 599 S N 0.075 115.706 115.700 -0.115 0.000 3.394 599 S HA -0.111 4.361 4.470 0.004 0.000 0.490 599 S C -1.698 172.924 174.600 0.037 0.000 0.702 599 S CA -0.076 58.152 58.200 0.047 0.000 1.358 599 S CB -1.605 61.738 63.200 0.239 0.000 1.128 599 S HN 0.104 nan 8.310 nan 0.000 0.775 600 P HA -0.136 nan 4.420 nan 0.000 0.219 600 P C 0.792 178.111 177.300 0.031 0.000 1.161 600 P CA 1.828 64.942 63.100 0.024 0.000 0.909 600 P CB 0.082 31.797 31.700 0.026 0.000 0.793 601 K N -0.690 119.735 120.400 0.042 0.000 2.961 601 K HA 0.107 4.429 4.320 0.004 0.000 0.187 601 K C -0.752 175.878 176.600 0.049 0.000 1.110 601 K CA -0.253 56.056 56.287 0.037 0.000 0.968 601 K CB -0.439 32.077 32.500 0.027 0.000 1.287 601 K HN -0.155 nan 8.250 nan 0.000 0.578 602 D N 1.412 121.861 120.400 0.081 0.000 2.740 602 D HA -0.209 4.434 4.640 0.004 0.000 0.231 602 D C -1.024 175.317 176.300 0.068 0.000 1.194 602 D CA 1.119 55.184 54.000 0.109 0.000 0.673 602 D CB -0.742 40.083 40.800 0.042 0.000 0.995 602 D HN 0.504 nan 8.370 nan 0.000 0.411 603 N N 0.278 119.045 118.700 0.113 0.000 2.493 603 N HA 0.673 5.416 4.740 0.004 0.000 0.275 603 N C 1.131 176.654 175.510 0.020 0.000 1.186 603 N CA 0.259 53.348 53.050 0.064 0.000 0.978 603 N CB 1.042 39.584 38.487 0.091 0.000 1.184 603 N HN 0.353 nan 8.380 nan 0.000 0.487 604 G N -0.424 108.332 108.800 -0.074 0.000 2.693 604 G HA2 -0.023 3.940 3.960 0.004 0.000 0.226 604 G HA3 -0.023 3.940 3.960 0.004 0.000 0.226 604 G C -0.756 173.889 174.900 -0.425 0.000 1.354 604 G CA 0.088 45.053 45.100 -0.226 0.000 0.873 604 G HN 0.767 nan 8.290 nan 0.000 0.562 605 M N -0.839 118.405 119.600 -0.594 0.000 2.488 605 M HA 0.575 5.057 4.480 0.004 0.000 0.174 605 M C -1.355 174.620 176.300 -0.541 0.000 0.963 605 M CA -0.481 54.479 55.300 -0.566 0.000 0.900 605 M CB 1.172 33.590 32.600 -0.303 0.000 2.927 605 M HN 1.310 nan 8.290 nan 0.000 0.394 606 L N 5.591 126.380 121.223 -0.723 0.000 2.257 606 L HA 0.715 5.057 4.340 0.004 0.000 0.290 606 L C -1.462 175.312 176.870 -0.161 0.000 1.044 606 L CA 0.098 54.736 54.840 -0.336 0.000 0.810 606 L CB 0.613 42.594 42.059 -0.131 0.000 1.193 606 L HN 0.720 nan 8.230 nan 0.000 0.425 607 I N 6.642 127.170 120.570 -0.070 0.000 2.382 607 I HA 0.344 4.516 4.170 0.004 0.000 0.285 607 I C -0.693 175.467 176.117 0.072 0.000 1.007 607 I CA -0.499 60.791 61.300 -0.017 0.000 1.142 607 I CB 1.393 39.367 38.000 -0.042 0.000 1.289 607 I HN 0.412 nan 8.210 nan 0.000 0.453 608 I N 5.846 126.473 120.570 0.095 0.000 2.354 608 I HA 0.225 4.398 4.170 0.004 0.000 0.292 608 I C 0.770 176.969 176.117 0.137 0.000 0.989 608 I CA 0.369 61.783 61.300 0.191 0.000 1.188 608 I CB 1.093 39.186 38.000 0.154 0.000 1.342 608 I HN 0.704 nan 8.210 nan 0.000 0.457 609 D N 5.993 126.496 120.400 0.170 0.000 4.450 609 D HA -0.273 4.370 4.640 0.004 0.000 0.209 609 D C 1.317 177.540 176.300 -0.129 0.000 0.603 609 D CA 2.498 56.465 54.000 -0.055 0.000 1.127 609 D CB -0.993 39.865 40.800 0.097 0.000 0.621 609 D HN 0.767 nan 8.370 nan 0.000 0.431 610 G N -0.600 108.180 108.800 -0.033 0.000 3.104 610 G HA2 0.241 4.203 3.960 0.004 0.000 0.237 610 G HA3 0.241 4.203 3.960 0.004 0.000 0.237 610 G C 0.290 175.190 174.900 0.001 0.000 1.035 610 G CA 0.054 45.137 45.100 -0.027 0.000 0.844 610 G HN 0.314 nan 8.290 nan 0.000 0.531 611 Q N 0.098 119.908 119.800 0.017 0.000 2.306 611 Q HA 0.583 4.925 4.340 0.004 0.000 0.269 611 Q C -0.412 175.597 176.000 0.016 0.000 1.053 611 Q CA -0.767 55.053 55.803 0.029 0.000 0.879 611 Q CB 2.516 31.284 28.738 0.051 0.000 1.344 611 Q HN 0.435 nan 8.270 nan 0.000 0.464 612 I N -2.064 118.512 120.570 0.010 0.000 2.648 612 I HA 0.396 4.569 4.170 0.004 0.000 0.304 612 I C 0.055 176.182 176.117 0.017 0.000 1.009 612 I CA -0.632 60.661 61.300 -0.012 0.000 1.114 612 I CB 1.060 39.029 38.000 -0.052 0.000 1.293 612 I HN 0.393 nan 8.210 nan 0.000 0.449 613 I N 3.370 123.955 120.570 0.025 0.000 3.136 613 I HA 0.321 4.493 4.170 0.004 0.000 0.262 613 I C 0.371 176.608 176.117 0.199 0.000 1.132 613 I CA 0.895 62.264 61.300 0.116 0.000 1.450 613 I CB -0.394 37.714 38.000 0.181 0.000 1.315 613 I HN 0.781 nan 8.210 nan 0.000 0.460 614 F N 0.022 119.944 119.950 -0.047 0.000 2.741 614 F HA 0.745 5.274 4.527 0.004 0.000 0.313 614 F C -0.334 175.418 175.800 -0.079 0.000 1.153 614 F CA -0.415 57.551 58.000 -0.057 0.000 0.931 614 F CB 1.206 40.173 39.000 -0.055 0.000 1.335 614 F HN 0.183 nan 8.300 nan 0.000 0.460 615 G N 0.390 109.074 108.800 -0.193 0.000 2.408 615 G HA2 0.348 4.310 3.960 0.004 0.000 0.682 615 G HA3 0.348 4.310 3.960 0.004 0.000 0.682 615 G C -2.511 172.296 174.900 -0.154 0.000 1.303 615 G CA -0.509 44.409 45.100 -0.304 0.000 0.966 615 G HN 1.297 nan 8.290 nan 0.000 0.560 616 V N 0.266 120.095 119.914 -0.142 0.000 2.487 616 V HA 0.563 4.686 4.120 0.004 0.000 0.298 616 V C 0.719 176.737 176.094 -0.128 0.000 1.028 616 V CA -0.760 61.469 62.300 -0.119 0.000 0.860 616 V CB 1.553 33.323 31.823 -0.088 0.000 0.991 616 V HN 0.931 nan 8.190 nan 0.000 0.427 617 V N 5.675 125.511 119.914 -0.129 0.000 2.555 617 V HA 0.534 4.656 4.120 0.004 0.000 0.286 617 V C 0.188 176.222 176.094 -0.100 0.000 1.044 617 V CA 0.226 62.455 62.300 -0.118 0.000 1.026 617 V CB 0.846 32.598 31.823 -0.118 0.000 0.981 617 V HN 1.173 nan 8.190 nan 0.000 0.480 618 E N 3.017 123.167 120.200 -0.084 0.000 2.164 618 E HA 0.308 4.660 4.350 0.004 0.000 0.240 618 E C 0.578 177.149 176.600 -0.049 0.000 1.335 618 E CA -0.665 55.696 56.400 -0.065 0.000 0.935 618 E CB 0.173 29.837 29.700 -0.060 0.000 1.711 618 E HN 0.110 nan 8.360 nan 0.000 0.510 619 K N 0.902 121.281 120.400 -0.034 0.000 2.044 619 K HA -0.291 4.032 4.320 0.004 0.000 0.224 619 K C 1.511 178.098 176.600 -0.022 0.000 1.056 619 K CA 2.943 59.219 56.287 -0.019 0.000 0.962 619 K CB -0.502 31.992 32.500 -0.010 0.000 0.730 619 K HN 0.453 nan 8.250 nan 0.000 0.453 620 K N -0.615 119.768 120.400 -0.028 0.000 2.160 620 K HA -0.125 4.197 4.320 0.004 0.000 0.206 620 K C 1.972 178.550 176.600 -0.036 0.000 1.047 620 K CA 1.908 58.177 56.287 -0.030 0.000 0.930 620 K CB -0.192 32.287 32.500 -0.034 0.000 0.720 620 K HN 0.412 nan 8.250 nan 0.000 0.450 621 T N 0.082 114.606 114.554 -0.049 0.000 3.207 621 T HA -0.039 4.314 4.350 0.004 0.000 0.229 621 T C 1.775 176.446 174.700 -0.049 0.000 0.999 621 T CA 0.349 62.415 62.100 -0.057 0.000 1.386 621 T CB -0.477 68.341 68.868 -0.083 0.000 1.130 621 T HN -0.048 nan 8.240 nan 0.000 0.435 622 V N 1.775 121.656 119.914 -0.056 0.000 3.141 622 V HA 0.205 4.328 4.120 0.004 0.000 0.265 622 V C 1.339 177.417 176.094 -0.026 0.000 1.126 622 V CA 0.928 63.193 62.300 -0.058 0.000 1.141 622 V CB -1.140 30.644 31.823 -0.064 0.000 0.743 622 V HN 0.569 nan 8.190 nan 0.000 0.492 623 G N -0.322 108.471 108.800 -0.012 0.000 2.616 623 G HA2 0.234 4.196 3.960 0.004 0.000 0.268 623 G HA3 0.234 4.196 3.960 0.004 0.000 0.268 623 G C 0.567 175.482 174.900 0.024 0.000 1.213 623 G CA 0.311 45.419 45.100 0.015 0.000 0.926 623 G HN 0.614 nan 8.290 nan 0.000 0.523 624 S N -0.250 115.475 115.700 0.041 0.000 3.324 624 S HA 0.337 4.810 4.470 0.004 0.000 0.229 624 S C 0.677 175.281 174.600 0.008 0.000 1.417 624 S CA -0.452 57.774 58.200 0.043 0.000 1.211 624 S CB -0.530 62.704 63.200 0.058 0.000 1.157 624 S HN 0.388 nan 8.310 nan 0.000 0.491 625 S N 1.940 117.637 115.700 -0.005 0.000 2.661 625 S HA 0.254 4.726 4.470 0.004 0.000 0.265 625 S C 1.273 175.829 174.600 -0.072 0.000 1.225 625 S CA -0.708 57.476 58.200 -0.026 0.000 0.986 625 S CB 0.424 63.612 63.200 -0.020 0.000 1.008 625 S HN 0.593 nan 8.310 nan 0.000 0.565 626 N N 0.983 119.628 118.700 -0.091 0.000 2.216 626 N HA -0.015 4.727 4.740 0.004 0.000 0.183 626 N C 1.378 176.804 175.510 -0.139 0.000 1.017 626 N CA 1.272 54.211 53.050 -0.185 0.000 0.861 626 N CB -0.460 37.960 38.487 -0.113 0.000 0.986 626 N HN 0.683 nan 8.380 nan 0.000 0.428 627 G N -1.139 107.648 108.800 -0.022 0.000 3.277 627 G HA2 0.286 4.249 3.960 0.004 0.000 0.243 627 G HA3 0.286 4.249 3.960 0.004 0.000 0.243 627 G C 0.571 175.503 174.900 0.053 0.000 1.107 627 G CA 0.061 45.194 45.100 0.055 0.000 0.771 627 G HN 0.407 nan 8.290 nan 0.000 0.544 628 G N -0.070 108.748 108.800 0.030 0.000 2.690 628 G HA2 0.217 4.180 3.960 0.004 0.000 0.239 628 G HA3 0.217 4.180 3.960 0.004 0.000 0.239 628 G C 1.042 175.958 174.900 0.027 0.000 1.233 628 G CA -0.386 44.723 45.100 0.015 0.000 0.847 628 G HN 0.283 nan 8.290 nan 0.000 0.588 629 L N 0.747 121.959 121.223 -0.019 0.000 2.187 629 L HA -0.094 4.249 4.340 0.004 0.000 0.213 629 L C 2.406 179.250 176.870 -0.043 0.000 1.100 629 L CA 1.189 56.005 54.840 -0.040 0.000 0.765 629 L CB -0.149 41.863 42.059 -0.079 0.000 0.904 629 L HN 0.549 nan 8.230 nan 0.000 0.437 630 I N -1.105 119.443 120.570 -0.038 0.000 2.233 630 I HA -0.284 3.888 4.170 0.004 0.000 0.243 630 I C 2.498 178.647 176.117 0.052 0.000 1.093 630 I CA 1.476 62.748 61.300 -0.047 0.000 1.380 630 I CB -1.032 36.942 38.000 -0.043 0.000 1.067 630 I HN 0.283 nan 8.210 nan 0.000 0.413 631 H N 0.562 119.623 119.070 -0.015 0.000 2.390 631 H HA -0.152 4.407 4.556 0.004 0.000 0.298 631 H C 2.174 177.502 175.328 0.000 0.000 1.106 631 H CA 1.907 57.955 56.048 0.001 0.000 1.297 631 H CB 0.382 30.151 29.762 0.012 0.000 1.375 631 H HN 0.166 nan 8.280 nan 0.000 0.509 632 V N -0.025 119.905 119.914 0.026 0.000 2.283 632 V HA -0.186 3.937 4.120 0.004 0.000 0.243 632 V C 2.740 178.805 176.094 -0.048 0.000 1.039 632 V CA 1.237 63.522 62.300 -0.025 0.000 1.016 632 V CB -0.563 31.264 31.823 0.006 0.000 0.650 632 V HN 0.225 nan 8.190 nan 0.000 0.449 633 V N 0.551 120.437 119.914 -0.047 0.000 2.490 633 V HA -0.252 3.870 4.120 0.004 0.000 0.250 633 V C 2.539 178.607 176.094 -0.044 0.000 1.061 633 V CA 2.578 64.845 62.300 -0.055 0.000 1.064 633 V CB -0.982 30.793 31.823 -0.080 0.000 0.670 633 V HN 0.661 nan 8.190 nan 0.000 0.461 634 T N -0.638 113.890 114.554 -0.043 0.000 2.735 634 T HA -0.092 4.261 4.350 0.004 0.000 0.256 634 T C 2.098 176.770 174.700 -0.047 0.000 1.042 634 T CA 0.801 62.883 62.100 -0.030 0.000 1.147 634 T CB -0.227 68.637 68.868 -0.007 0.000 0.865 634 T HN 0.256 nan 8.240 nan 0.000 0.421 635 R N 0.880 121.321 120.500 -0.098 0.000 2.152 635 R HA -0.011 4.332 4.340 0.004 0.000 0.232 635 R C 2.343 178.623 176.300 -0.034 0.000 1.117 635 R CA 1.128 57.179 56.100 -0.082 0.000 0.981 635 R CB -0.290 29.916 30.300 -0.157 0.000 0.870 635 R HN 0.463 nan 8.270 nan 0.000 0.451 636 E N 0.491 120.671 120.200 -0.034 0.000 2.021 636 E HA -0.056 4.297 4.350 0.004 0.000 0.189 636 E C 1.673 178.274 176.600 0.001 0.000 0.980 636 E CA 1.099 57.495 56.400 -0.008 0.000 0.803 636 E CB 0.259 29.953 29.700 -0.011 0.000 0.766 636 E HN -0.066 nan 8.360 nan 0.000 0.449 637 K N -0.893 119.502 120.400 -0.008 0.000 2.276 637 K HA 0.271 4.594 4.320 0.004 0.000 0.198 637 K C 0.550 177.154 176.600 0.006 0.000 1.052 637 K CA 0.841 57.128 56.287 -0.001 0.000 0.984 637 K CB 1.247 33.741 32.500 -0.011 0.000 0.836 637 K HN 0.253 nan 8.250 nan 0.000 0.490 638 G N 0.391 109.193 108.800 0.004 0.000 2.353 638 G HA2 -0.085 3.878 3.960 0.004 0.000 0.424 638 G HA3 -0.085 3.878 3.960 0.004 0.000 0.424 638 G C -2.742 172.167 174.900 0.015 0.000 1.320 638 G CA -0.727 44.380 45.100 0.012 0.000 0.995 638 G HN -0.225 nan 8.290 nan 0.000 0.580 639 P HA 0.027 nan 4.420 nan 0.000 0.213 639 P C 1.799 179.124 177.300 0.040 0.000 1.169 639 P CA 1.679 64.797 63.100 0.031 0.000 0.885 639 P CB 0.066 31.777 31.700 0.018 0.000 0.779 640 Q N -0.137 119.680 119.800 0.029 0.000 2.248 640 Q HA -0.104 4.238 4.340 0.004 0.000 0.208 640 Q C 2.127 178.151 176.000 0.039 0.000 0.984 640 Q CA 1.263 57.085 55.803 0.032 0.000 0.875 640 Q CB -1.825 26.925 28.738 0.022 0.000 0.910 640 Q HN 0.186 nan 8.270 nan 0.000 0.433 641 V N 0.424 120.357 119.914 0.031 0.000 2.283 641 V HA -0.212 3.910 4.120 0.004 0.000 0.243 641 V C 2.544 178.655 176.094 0.028 0.000 1.039 641 V CA 1.496 63.811 62.300 0.025 0.000 1.016 641 V CB -0.860 30.970 31.823 0.010 0.000 0.650 641 V HN 0.497 nan 8.190 nan 0.000 0.449 642 C N 0.680 119.996 119.300 0.027 0.000 2.413 642 C HA -0.143 4.320 4.460 0.004 0.000 0.277 642 C C 3.064 178.134 174.990 0.134 0.000 1.265 642 C CA 0.976 60.006 59.018 0.019 0.000 1.752 642 C CB -1.234 26.526 27.740 0.033 0.000 1.998 642 C HN 0.584 nan 8.230 nan 0.000 0.489 643 A N -0.476 122.452 122.820 0.181 0.000 1.969 643 A HA -0.174 4.148 4.320 0.004 0.000 0.218 643 A C 2.275 179.980 177.584 0.201 0.000 1.169 643 A CA 1.874 54.056 52.037 0.242 0.000 0.635 643 A CB -0.621 18.450 19.000 0.119 0.000 0.810 643 A HN 0.751 nan 8.150 nan 0.000 0.445 644 K N -0.799 119.673 120.400 0.121 0.000 2.296 644 K HA 0.019 4.341 4.320 0.004 0.000 0.200 644 K C 1.785 178.438 176.600 0.090 0.000 1.048 644 K CA 0.725 57.071 56.287 0.098 0.000 0.966 644 K CB -0.163 32.376 32.500 0.067 0.000 0.754 644 K HN 0.383 nan 8.250 nan 0.000 0.466 645 L N 0.586 121.840 121.223 0.052 0.000 2.005 645 L HA -0.081 4.261 4.340 0.004 0.000 0.207 645 L C 1.609 178.464 176.870 -0.024 0.000 1.072 645 L CA 1.680 56.501 54.840 -0.032 0.000 0.744 645 L CB -0.654 41.319 42.059 -0.145 0.000 0.895 645 L HN 0.093 nan 8.230 nan 0.000 0.433 646 F N 0.556 120.516 119.950 0.017 0.000 2.045 646 F HA -0.293 4.236 4.527 0.004 0.000 0.297 646 F C 2.479 178.291 175.800 0.019 0.000 1.114 646 F CA 2.079 60.090 58.000 0.018 0.000 1.207 646 F CB -1.369 37.646 39.000 0.025 0.000 0.964 646 F HN 0.282 nan 8.300 nan 0.000 0.486 647 G N 0.049 108.988 108.800 0.232 0.000 2.672 647 G HA2 -0.382 3.581 3.960 0.004 0.000 0.218 647 G HA3 -0.382 3.581 3.960 0.004 0.000 0.218 647 G C 1.475 176.428 174.900 0.089 0.000 1.238 647 G CA 1.490 46.672 45.100 0.137 0.000 0.791 647 G HN 0.312 nan 8.290 nan 0.000 0.606 648 N N 1.116 119.861 118.700 0.075 0.000 2.037 648 N HA -0.147 4.595 4.740 0.004 0.000 0.196 648 N C 2.221 177.742 175.510 0.019 0.000 1.034 648 N CA 1.575 54.657 53.050 0.053 0.000 0.861 648 N CB -0.612 37.906 38.487 0.051 0.000 1.039 648 N HN 0.513 nan 8.380 nan 0.000 0.427 649 I N 1.312 121.886 120.570 0.005 0.000 2.052 649 I HA -0.369 3.803 4.170 0.004 0.000 0.235 649 I C 2.399 178.508 176.117 -0.013 0.000 1.046 649 I CA 1.511 62.801 61.300 -0.017 0.000 1.308 649 I CB -0.708 37.270 38.000 -0.038 0.000 1.031 649 I HN 0.145 nan 8.210 nan 0.000 0.395 650 Q N 1.110 120.919 119.800 0.014 0.000 2.012 650 Q HA -0.301 4.042 4.340 0.004 0.000 0.211 650 Q C 2.250 178.205 176.000 -0.075 0.000 1.009 650 Q CA 2.166 57.968 55.803 -0.002 0.000 0.866 650 Q CB -0.375 28.385 28.738 0.037 0.000 0.945 650 Q HN 0.439 nan 8.270 nan 0.000 0.414 651 K N -0.081 120.263 120.400 -0.093 0.000 2.144 651 K HA -0.222 4.101 4.320 0.004 0.000 0.209 651 K C 2.073 178.444 176.600 -0.382 0.000 1.047 651 K CA 1.908 58.043 56.287 -0.253 0.000 0.927 651 K CB -0.264 32.195 32.500 -0.068 0.000 0.716 651 K HN 0.111 nan 8.250 nan 0.000 0.454 652 V N 0.298 120.112 119.914 -0.166 0.000 2.300 652 V HA -0.171 3.952 4.120 0.004 0.000 0.241 652 V C 2.299 178.384 176.094 -0.015 0.000 1.034 652 V CA 1.204 63.445 62.300 -0.099 0.000 1.021 652 V CB -0.518 31.289 31.823 -0.027 0.000 0.662 652 V HN 0.023 nan 8.190 nan 0.000 0.458 653 V N 1.226 121.132 119.914 -0.013 0.000 2.220 653 V HA -0.337 3.786 4.120 0.004 0.000 0.250 653 V C 2.461 178.599 176.094 0.073 0.000 1.056 653 V CA 2.514 64.835 62.300 0.036 0.000 1.016 653 V CB -1.119 30.705 31.823 0.002 0.000 0.639 653 V HN 0.568 nan 8.190 nan 0.000 0.446 654 N N -0.206 118.491 118.700 -0.005 0.000 2.106 654 N HA -0.282 4.460 4.740 0.004 0.000 0.200 654 N C 1.699 177.204 175.510 -0.008 0.000 1.014 654 N CA 2.429 55.463 53.050 -0.027 0.000 0.891 654 N CB -0.751 37.676 38.487 -0.101 0.000 1.069 654 N HN 0.535 nan 8.380 nan 0.000 0.490 655 F N 0.448 120.247 119.950 -0.251 0.000 2.026 655 F HA -0.185 4.344 4.527 0.004 0.000 0.296 655 F C 2.505 178.298 175.800 -0.011 0.000 1.133 655 F CA 1.645 59.505 58.000 -0.232 0.000 1.188 655 F CB -1.014 37.645 39.000 -0.568 0.000 0.968 655 F HN 0.198 nan 8.300 nan 0.000 0.476 656 W N 1.079 122.241 121.300 -0.230 0.000 2.317 656 W HA -0.308 4.355 4.660 0.004 0.000 0.318 656 W C 2.383 178.789 176.519 -0.188 0.000 1.227 656 W CA 2.678 59.869 57.345 -0.257 0.000 1.269 656 W CB -0.929 28.461 29.460 -0.116 0.000 1.155 656 W HN 0.271 nan 8.180 nan 0.000 0.484 657 L N 1.078 122.384 121.223 0.139 0.000 1.978 657 L HA -0.274 4.068 4.340 0.004 0.000 0.218 657 L C 2.517 179.254 176.870 -0.221 0.000 1.075 657 L CA 2.738 57.562 54.840 -0.026 0.000 0.767 657 L CB -1.704 40.422 42.059 0.111 0.000 0.890 657 L HN 0.259 nan 8.230 nan 0.000 0.434 658 L N -0.288 120.846 121.223 -0.149 0.000 2.064 658 L HA -0.300 4.042 4.340 0.004 0.000 0.216 658 L C 2.158 178.848 176.870 -0.299 0.000 1.077 658 L CA 2.133 56.875 54.840 -0.164 0.000 0.766 658 L CB -1.269 40.752 42.059 -0.063 0.000 0.890 658 L HN 0.564 nan 8.230 nan 0.000 0.435 659 H N -1.336 117.438 119.070 -0.494 0.000 2.517 659 H HA 0.132 4.691 4.556 0.004 0.000 0.282 659 H C 1.177 176.170 175.328 -0.560 0.000 1.023 659 H CA 0.497 56.248 56.048 -0.494 0.000 1.169 659 H CB 0.222 29.622 29.762 -0.604 0.000 1.454 659 H HN 0.603 nan 8.280 nan 0.000 0.556 660 N N 0.547 118.909 118.700 -0.562 0.000 2.516 660 N HA 0.026 4.769 4.740 0.004 0.000 0.197 660 N C 0.373 175.698 175.510 -0.308 0.000 1.064 660 N CA 0.934 53.614 53.050 -0.617 0.000 0.866 660 N CB 1.675 39.389 38.487 -1.288 0.000 1.255 660 N HN 0.343 nan 8.380 nan 0.000 0.447 661 G N 0.927 109.598 108.800 -0.215 0.000 2.785 661 G HA2 -0.109 3.854 3.960 0.004 0.000 0.686 661 G HA3 -0.109 3.854 3.960 0.004 0.000 0.686 661 G C -1.401 173.551 174.900 0.087 0.000 1.155 661 G CA -0.261 44.796 45.100 -0.071 0.000 0.760 661 G HN 0.315 nan 8.290 nan 0.000 0.624 662 F N 1.633 121.545 119.950 -0.065 0.000 2.628 662 F HA 0.816 5.345 4.527 0.004 0.000 0.309 662 F C -0.103 175.683 175.800 -0.023 0.000 1.108 662 F CA 0.127 58.111 58.000 -0.027 0.000 0.971 662 F CB 2.122 41.123 39.000 0.001 0.000 1.279 662 F HN 1.034 nan 8.300 nan 0.000 0.441 663 S N 1.234 116.368 115.700 -0.943 0.000 2.819 663 S HA 0.887 5.360 4.470 0.004 0.000 0.299 663 S C -1.718 172.428 174.600 -0.757 0.000 1.192 663 S CA -0.480 57.346 58.200 -0.622 0.000 0.847 663 S CB 2.051 65.063 63.200 -0.314 0.000 1.224 663 S HN 0.702 nan 8.310 nan 0.000 0.537 664 T N 1.114 115.441 114.554 -0.378 0.000 3.548 664 T HA 0.573 4.925 4.350 0.004 0.000 0.329 664 T C -0.196 174.416 174.700 -0.148 0.000 0.960 664 T CA -0.497 61.449 62.100 -0.256 0.000 1.041 664 T CB 1.045 69.802 68.868 -0.184 0.000 1.065 664 T HN 0.775 nan 8.240 nan 0.000 0.459 665 G N 0.881 109.612 108.800 -0.115 0.000 2.705 665 G HA2 0.623 4.585 3.960 0.004 0.000 0.299 665 G HA3 0.623 4.585 3.960 0.004 0.000 0.299 665 G C 0.585 175.453 174.900 -0.053 0.000 1.315 665 G CA -0.909 44.146 45.100 -0.075 0.000 1.045 665 G HN 0.550 nan 8.290 nan 0.000 0.517 666 I N 0.855 121.402 120.570 -0.038 0.000 2.617 666 I HA 0.063 4.235 4.170 0.004 0.000 0.256 666 I C 2.879 178.985 176.117 -0.019 0.000 1.167 666 I CA 1.047 62.332 61.300 -0.025 0.000 1.469 666 I CB -0.572 37.417 38.000 -0.017 0.000 1.098 666 I HN 0.554 nan 8.210 nan 0.000 0.436 667 G N 0.043 108.830 108.800 -0.021 0.000 2.537 667 G HA2 -0.222 3.741 3.960 0.004 0.000 0.220 667 G HA3 -0.222 3.741 3.960 0.004 0.000 0.220 667 G C 1.201 176.094 174.900 -0.013 0.000 1.111 667 G CA 0.756 45.846 45.100 -0.015 0.000 0.748 667 G HN 0.315 nan 8.290 nan 0.000 0.564 668 D N -0.299 120.089 120.400 -0.020 0.000 2.340 668 D HA 0.029 4.672 4.640 0.004 0.000 0.220 668 D C 1.946 178.241 176.300 -0.008 0.000 1.039 668 D CA 1.057 55.049 54.000 -0.015 0.000 0.866 668 D CB 0.295 41.076 40.800 -0.031 0.000 0.913 668 D HN 0.479 nan 8.370 nan 0.000 0.523 669 T N -2.364 112.186 114.554 -0.008 0.000 3.170 669 T HA 0.236 4.588 4.350 0.004 0.000 0.288 669 T C 0.736 175.436 174.700 0.000 0.000 0.992 669 T CA -0.430 61.668 62.100 -0.003 0.000 0.909 669 T CB 0.630 69.496 68.868 -0.003 0.000 1.133 669 T HN -0.175 nan 8.240 nan 0.000 0.530 670 I N 2.140 122.710 120.570 0.000 0.000 2.713 670 I HA 0.758 4.931 4.170 0.004 0.000 0.300 670 I C 0.520 176.640 176.117 0.006 0.000 1.009 670 I CA -1.007 60.294 61.300 0.003 0.000 1.305 670 I CB 0.818 38.819 38.000 0.002 0.000 1.430 670 I HN 0.324 nan 8.210 nan 0.000 0.546 671 A N 2.849 125.673 122.820 0.007 0.000 2.454 671 A HA 0.539 4.861 4.320 0.004 0.000 0.302 671 A C -0.831 176.760 177.584 0.011 0.000 1.079 671 A CA -0.702 51.342 52.037 0.011 0.000 0.731 671 A CB 0.820 19.827 19.000 0.012 0.000 1.299 671 A HN 0.662 nan 8.150 nan 0.000 0.413 672 D N 1.027 121.435 120.400 0.014 0.000 2.629 672 D HA 0.194 4.837 4.640 0.004 0.000 0.228 672 D C 1.677 177.984 176.300 0.013 0.000 1.127 672 D CA 1.531 55.539 54.000 0.014 0.000 0.855 672 D CB 0.660 41.469 40.800 0.016 0.000 1.180 672 D HN 0.664 nan 8.370 nan 0.000 0.484 673 G N 3.091 111.897 108.800 0.011 0.000 2.513 673 G HA2 -0.226 3.737 3.960 0.004 0.000 0.219 673 G HA3 -0.226 3.737 3.960 0.004 0.000 0.219 673 G C -0.705 174.203 174.900 0.012 0.000 1.160 673 G CA 0.446 45.552 45.100 0.011 0.000 0.767 673 G HN 0.472 nan 8.290 nan 0.000 0.571 674 P HA -0.048 nan 4.420 nan 0.000 0.217 674 P C 1.961 179.271 177.300 0.017 0.000 1.148 674 P CA 1.608 64.717 63.100 0.015 0.000 0.828 674 P CB -0.135 31.574 31.700 0.015 0.000 0.783 675 T N -1.280 113.285 114.554 0.018 0.000 2.852 675 T HA -0.012 4.341 4.350 0.004 0.000 0.256 675 T C 1.757 176.469 174.700 0.019 0.000 1.038 675 T CA 0.938 63.051 62.100 0.021 0.000 1.141 675 T CB -0.517 68.365 68.868 0.023 0.000 0.869 675 T HN -0.064 nan 8.240 nan 0.000 0.439 676 M N 1.260 120.869 119.600 0.015 0.000 2.082 676 M HA -0.102 4.381 4.480 0.004 0.000 0.258 676 M C 2.308 178.616 176.300 0.014 0.000 1.069 676 M CA 1.515 56.822 55.300 0.012 0.000 1.102 676 M CB -1.043 31.562 32.600 0.008 0.000 1.336 676 M HN 0.186 nan 8.290 nan 0.000 0.404 677 R N 0.171 120.680 120.500 0.015 0.000 2.080 677 R HA -0.203 4.139 4.340 0.004 0.000 0.236 677 R C 2.085 178.397 176.300 0.020 0.000 1.137 677 R CA 2.072 58.181 56.100 0.016 0.000 0.943 677 R CB -0.353 29.956 30.300 0.015 0.000 0.846 677 R HN 0.478 nan 8.270 nan 0.000 0.431 678 E N 0.055 120.268 120.200 0.021 0.000 2.204 678 E HA -0.177 4.176 4.350 0.004 0.000 0.195 678 E C 1.949 178.566 176.600 0.030 0.000 0.990 678 E CA 1.057 57.472 56.400 0.025 0.000 0.821 678 E CB -0.015 29.701 29.700 0.025 0.000 0.750 678 E HN 0.425 nan 8.360 nan 0.000 0.477 679 I N 0.161 120.748 120.570 0.029 0.000 2.233 679 I HA -0.217 3.956 4.170 0.004 0.000 0.243 679 I C 2.391 178.530 176.117 0.037 0.000 1.093 679 I CA 1.211 62.531 61.300 0.034 0.000 1.380 679 I CB -0.261 37.755 38.000 0.027 0.000 1.067 679 I HN 0.064 nan 8.210 nan 0.000 0.413 680 T N 0.671 115.243 114.554 0.029 0.000 2.803 680 T HA -0.211 4.142 4.350 0.004 0.000 0.269 680 T C 1.654 176.377 174.700 0.038 0.000 1.052 680 T CA 1.682 63.801 62.100 0.032 0.000 1.136 680 T CB -0.379 68.503 68.868 0.023 0.000 0.864 680 T HN 0.596 nan 8.240 nan 0.000 0.467 681 E N 0.319 120.538 120.200 0.033 0.000 2.358 681 E HA -0.056 4.297 4.350 0.004 0.000 0.195 681 E C 1.909 178.531 176.600 0.035 0.000 1.010 681 E CA 0.950 57.369 56.400 0.031 0.000 0.856 681 E CB -0.222 29.494 29.700 0.025 0.000 0.795 681 E HN 0.289 nan 8.360 nan 0.000 0.504 682 T N 0.053 114.632 114.554 0.042 0.000 3.081 682 T HA 0.166 4.518 4.350 0.004 0.000 0.250 682 T C 1.466 176.202 174.700 0.061 0.000 1.100 682 T CA -0.015 62.114 62.100 0.048 0.000 1.038 682 T CB 0.070 68.968 68.868 0.050 0.000 0.962 682 T HN 0.181 nan 8.240 nan 0.000 0.516 683 I N 0.573 121.186 120.570 0.072 0.000 3.035 683 I HA 0.232 4.404 4.170 0.004 0.000 0.271 683 I C 2.687 178.849 176.117 0.076 0.000 1.190 683 I CA 0.588 61.950 61.300 0.102 0.000 1.472 683 I CB -1.054 37.035 38.000 0.148 0.000 1.116 683 I HN 0.222 nan 8.210 nan 0.000 0.443 684 A N 1.695 124.547 122.820 0.054 0.000 1.929 684 A HA -0.161 4.161 4.320 0.004 0.000 0.216 684 A C 2.032 179.626 177.584 0.017 0.000 1.176 684 A CA 1.240 53.300 52.037 0.038 0.000 0.628 684 A CB -0.530 18.490 19.000 0.033 0.000 0.816 684 A HN 0.604 nan 8.150 nan 0.000 0.444 685 E N -0.714 119.494 120.200 0.013 0.000 2.502 685 E HA 0.338 4.690 4.350 0.004 0.000 0.194 685 E C 0.976 177.561 176.600 -0.025 0.000 1.062 685 E CA 0.577 56.974 56.400 -0.005 0.000 0.867 685 E CB 0.010 29.713 29.700 0.005 0.000 0.888 685 E HN 0.431 nan 8.360 nan 0.000 0.510 686 A N 0.902 123.711 122.820 -0.018 0.000 2.508 686 A HA 0.205 4.528 4.320 0.004 0.000 0.250 686 A C 1.561 179.095 177.584 -0.084 0.000 1.208 686 A CA -0.406 51.605 52.037 -0.042 0.000 0.960 686 A CB 0.343 19.347 19.000 0.008 0.000 1.099 686 A HN -0.006 nan 8.150 nan 0.000 0.542 687 K N -0.244 120.126 120.400 -0.049 0.000 2.354 687 K HA 0.151 4.473 4.320 0.004 0.000 0.194 687 K C 1.396 177.961 176.600 -0.058 0.000 1.038 687 K CA 0.085 56.344 56.287 -0.047 0.000 1.052 687 K CB 0.402 32.918 32.500 0.027 0.000 0.861 687 K HN 0.200 nan 8.250 nan 0.000 0.535 688 K N 1.567 121.928 120.400 -0.067 0.000 2.276 688 K HA 0.031 4.353 4.320 0.004 0.000 0.198 688 K C 1.582 178.104 176.600 -0.131 0.000 1.052 688 K CA 0.589 56.835 56.287 -0.068 0.000 0.984 688 K CB 0.386 32.862 32.500 -0.039 0.000 0.836 688 K HN -0.113 nan 8.250 nan 0.000 0.490 689 K N 0.755 121.034 120.400 -0.201 0.000 2.442 689 K HA -0.018 4.304 4.320 0.004 0.000 0.198 689 K C 1.548 177.830 176.600 -0.529 0.000 1.042 689 K CA 0.435 56.506 56.287 -0.360 0.000 0.958 689 K CB 0.339 32.578 32.500 -0.435 0.000 0.766 689 K HN -0.074 nan 8.250 nan 0.000 0.474 690 V N 0.406 120.099 119.914 -0.369 0.000 2.949 690 V HA -0.100 4.022 4.120 0.004 0.000 0.245 690 V C 1.732 177.766 176.094 -0.100 0.000 1.086 690 V CA 0.541 62.666 62.300 -0.291 0.000 1.097 690 V CB 0.124 31.823 31.823 -0.206 0.000 0.762 690 V HN 0.245 nan 8.190 nan 0.000 0.470 691 L N 0.316 121.497 121.223 -0.069 0.000 2.141 691 L HA -0.134 4.208 4.340 0.004 0.000 0.209 691 L C 1.922 178.791 176.870 -0.003 0.000 1.094 691 L CA 1.930 56.767 54.840 -0.005 0.000 0.763 691 L CB -0.415 41.639 42.059 -0.009 0.000 0.908 691 L HN 0.305 nan 8.230 nan 0.000 0.437 692 D N -1.406 118.964 120.400 -0.051 0.000 2.162 692 D HA -0.082 4.560 4.640 0.004 0.000 0.203 692 D C 2.292 178.591 176.300 -0.001 0.000 0.967 692 D CA 1.069 55.049 54.000 -0.034 0.000 0.840 692 D CB -0.135 40.628 40.800 -0.062 0.000 0.972 692 D HN 0.188 nan 8.370 nan 0.000 0.482 693 V N 1.211 121.113 119.914 -0.020 0.000 2.759 693 V HA -0.155 3.968 4.120 0.004 0.000 0.256 693 V C 2.149 178.431 176.094 0.314 0.000 1.080 693 V CA 1.738 64.093 62.300 0.092 0.000 1.101 693 V CB -0.496 31.325 31.823 -0.003 0.000 0.698 693 V HN 0.275 nan 8.190 nan 0.000 0.477 694 T N -1.153 113.578 114.554 0.295 0.000 2.814 694 T HA -0.120 4.232 4.350 0.004 0.000 0.254 694 T C 1.925 176.659 174.700 0.057 0.000 1.037 694 T CA 0.796 63.036 62.100 0.235 0.000 1.143 694 T CB -0.147 68.859 68.868 0.230 0.000 0.866 694 T HN 0.287 nan 8.240 nan 0.000 0.431 695 K N 0.996 121.426 120.400 0.051 0.000 2.127 695 K HA -0.220 4.103 4.320 0.004 0.000 0.208 695 K C 2.394 179.002 176.600 0.013 0.000 1.047 695 K CA 1.658 57.958 56.287 0.021 0.000 0.927 695 K CB -0.058 32.452 32.500 0.016 0.000 0.716 695 K HN 0.495 nan 8.250 nan 0.000 0.450 696 E N -0.230 119.987 120.200 0.028 0.000 2.005 696 E HA -0.158 4.195 4.350 0.004 0.000 0.191 696 E C 1.826 178.431 176.600 0.008 0.000 0.987 696 E CA 1.047 57.463 56.400 0.026 0.000 0.814 696 E CB -0.188 29.540 29.700 0.047 0.000 0.772 696 E HN 0.323 nan 8.360 nan 0.000 0.453 697 A N 0.615 123.441 122.820 0.010 0.000 2.032 697 A HA -0.272 4.051 4.320 0.004 0.000 0.221 697 A C 2.031 179.551 177.584 -0.107 0.000 1.165 697 A CA 1.820 53.822 52.037 -0.059 0.000 0.645 697 A CB -0.559 18.348 19.000 -0.155 0.000 0.807 697 A HN 0.413 nan 8.150 nan 0.000 0.453 698 Q N -1.447 118.296 119.800 -0.095 0.000 2.311 698 Q HA 0.148 4.490 4.340 0.004 0.000 0.203 698 Q C 1.570 177.541 176.000 -0.049 0.000 0.954 698 Q CA 0.768 56.518 55.803 -0.087 0.000 0.885 698 Q CB -0.081 28.616 28.738 -0.069 0.000 0.963 698 Q HN 0.635 nan 8.270 nan 0.000 0.471 699 A N 1.037 123.839 122.820 -0.031 0.000 2.532 699 A HA 0.082 4.405 4.320 0.004 0.000 0.273 699 A C 0.146 177.721 177.584 -0.016 0.000 1.342 699 A CA -0.349 51.677 52.037 -0.018 0.000 0.929 699 A CB -0.121 18.875 19.000 -0.008 0.000 1.051 699 A HN 0.318 nan 8.150 nan 0.000 0.521 700 N N -0.252 118.432 118.700 -0.026 0.000 2.699 700 N HA -0.157 4.585 4.740 0.004 0.000 0.256 700 N C 0.306 175.812 175.510 -0.007 0.000 0.993 700 N CA 0.978 54.015 53.050 -0.022 0.000 0.759 700 N CB -1.310 37.164 38.487 -0.021 0.000 0.906 700 N HN 0.603 nan 8.380 nan 0.000 0.541 701 L N -1.185 120.038 121.223 0.000 0.000 2.749 701 L HA 0.212 4.554 4.340 0.004 0.000 0.242 701 L C 0.988 177.871 176.870 0.022 0.000 1.103 701 L CA -0.396 54.450 54.840 0.011 0.000 0.906 701 L CB 0.143 42.210 42.059 0.014 0.000 1.228 701 L HN 0.192 nan 8.230 nan 0.000 0.517 702 L N 2.838 124.077 121.223 0.026 0.000 2.600 702 L HA 0.129 4.471 4.340 0.004 0.000 0.278 702 L C -0.230 176.663 176.870 0.039 0.000 1.139 702 L CA 0.778 55.647 54.840 0.047 0.000 0.933 702 L CB 0.307 42.407 42.059 0.069 0.000 1.266 702 L HN 0.101 nan 8.230 nan 0.000 0.471 703 T N 4.470 119.048 114.554 0.041 0.000 2.870 703 T HA 0.314 4.667 4.350 0.004 0.000 0.300 703 T C 0.558 175.283 174.700 0.041 0.000 0.989 703 T CA -0.356 61.765 62.100 0.034 0.000 1.139 703 T CB 0.903 69.792 68.868 0.035 0.000 0.920 703 T HN 0.753 nan 8.240 nan 0.000 0.537 704 A N 4.122 126.960 122.820 0.029 0.000 2.409 704 A HA 0.330 4.652 4.320 0.004 0.000 0.262 704 A C 0.447 178.052 177.584 0.035 0.000 1.113 704 A CA -0.662 51.392 52.037 0.028 0.000 0.790 704 A CB 0.079 19.083 19.000 0.007 0.000 1.046 704 A HN 0.819 nan 8.150 nan 0.000 0.496 705 K N 1.942 122.369 120.400 0.045 0.000 2.448 705 K HA 0.012 4.335 4.320 0.004 0.000 0.278 705 K C 0.016 176.658 176.600 0.070 0.000 1.009 705 K CA 0.066 56.392 56.287 0.065 0.000 0.995 705 K CB 0.234 32.771 32.500 0.062 0.000 0.917 705 K HN 0.857 nan 8.250 nan 0.000 0.481 706 H N 0.849 119.927 119.070 0.014 0.000 3.192 706 H HA -0.040 4.518 4.556 0.004 0.000 0.295 706 H C 1.262 176.596 175.328 0.011 0.000 0.943 706 H CA 1.924 57.977 56.048 0.007 0.000 1.416 706 H CB 0.020 29.782 29.762 -0.001 0.000 1.434 706 H HN 0.847 nan 8.280 nan 0.000 0.565 707 G N 3.566 112.175 108.800 -0.317 0.000 2.195 707 G HA2 -0.253 3.709 3.960 0.004 0.000 0.246 707 G HA3 -0.253 3.709 3.960 0.004 0.000 0.246 707 G C 0.228 175.098 174.900 -0.051 0.000 0.984 707 G CA 0.276 45.291 45.100 -0.142 0.000 0.633 707 G HN 0.834 nan 8.290 nan 0.000 0.525 708 M N -0.113 119.466 119.600 -0.035 0.000 2.644 708 M HA 0.773 5.255 4.480 0.004 0.000 0.304 708 M C 0.224 176.517 176.300 -0.011 0.000 1.215 708 M CA -0.671 54.625 55.300 -0.007 0.000 0.871 708 M CB 1.370 33.982 32.600 0.020 0.000 1.740 708 M HN 0.004 nan 8.290 nan 0.000 0.464 709 T N 1.555 116.110 114.554 0.001 0.000 2.855 709 T HA 0.144 4.496 4.350 0.004 0.000 0.322 709 T C 1.243 175.951 174.700 0.013 0.000 1.088 709 T CA -0.387 61.715 62.100 0.002 0.000 1.104 709 T CB 0.472 69.346 68.868 0.010 0.000 0.996 709 T HN 0.583 nan 8.240 nan 0.000 0.549 710 L N 0.959 122.185 121.223 0.005 0.000 2.056 710 L HA -0.010 4.333 4.340 0.004 0.000 0.207 710 L C 2.815 179.705 176.870 0.033 0.000 1.078 710 L CA 1.644 56.492 54.840 0.014 0.000 0.749 710 L CB -0.601 41.451 42.059 -0.012 0.000 0.901 710 L HN 0.545 nan 8.230 nan 0.000 0.433 711 R N -0.451 120.054 120.500 0.009 0.000 2.148 711 R HA -0.120 4.223 4.340 0.004 0.000 0.227 711 R C 2.082 178.439 176.300 0.094 0.000 1.103 711 R CA 0.911 57.025 56.100 0.024 0.000 0.983 711 R CB -0.210 30.077 30.300 -0.021 0.000 0.874 711 R HN 0.502 nan 8.270 nan 0.000 0.451 712 E N 0.192 120.431 120.200 0.066 0.000 2.152 712 E HA -0.110 4.242 4.350 0.004 0.000 0.192 712 E C 1.873 178.513 176.600 0.066 0.000 0.983 712 E CA 1.484 57.921 56.400 0.061 0.000 0.818 712 E CB 0.171 29.895 29.700 0.040 0.000 0.758 712 E HN 0.286 nan 8.360 nan 0.000 0.467 713 S N -0.336 115.411 115.700 0.080 0.000 2.501 713 S HA -0.035 4.437 4.470 0.004 0.000 0.220 713 S C 1.681 176.348 174.600 0.111 0.000 0.997 713 S CA -0.193 58.051 58.200 0.074 0.000 0.919 713 S CB -0.157 63.083 63.200 0.067 0.000 0.778 713 S HN 0.258 nan 8.310 nan 0.000 0.523 714 F N 2.903 122.850 119.950 -0.005 0.000 2.074 714 F HA 0.089 4.619 4.527 0.004 0.000 0.293 714 F C 2.445 178.250 175.800 0.009 0.000 1.116 714 F CA 1.613 59.612 58.000 -0.002 0.000 1.212 714 F CB -0.372 38.596 39.000 -0.053 0.000 0.998 714 F HN 0.036 nan 8.300 nan 0.000 0.471 715 E N 0.658 120.895 120.200 0.061 0.000 2.026 715 E HA -0.328 4.024 4.350 0.004 0.000 0.206 715 E C 1.946 178.486 176.600 -0.099 0.000 1.028 715 E CA 1.945 58.322 56.400 -0.038 0.000 0.845 715 E CB -1.096 28.645 29.700 0.067 0.000 0.772 715 E HN 0.542 nan 8.360 nan 0.000 0.462 716 D N 0.519 120.892 120.400 -0.045 0.000 2.154 716 D HA -0.208 4.434 4.640 0.004 0.000 0.190 716 D C 1.644 177.874 176.300 -0.117 0.000 1.003 716 D CA 1.747 55.711 54.000 -0.060 0.000 0.849 716 D CB -0.204 40.577 40.800 -0.032 0.000 0.942 716 D HN 0.012 nan 8.370 nan 0.000 0.446 717 N N -0.247 118.380 118.700 -0.122 0.000 2.005 717 N HA -0.172 4.570 4.740 0.004 0.000 0.199 717 N C 2.056 177.497 175.510 -0.116 0.000 1.054 717 N CA 1.708 54.672 53.050 -0.144 0.000 0.864 717 N CB -0.938 37.554 38.487 0.008 0.000 1.063 717 N HN 0.162 nan 8.380 nan 0.000 0.428 718 V N 1.098 120.923 119.914 -0.148 0.000 2.252 718 V HA -0.228 3.895 4.120 0.004 0.000 0.249 718 V C 2.493 178.540 176.094 -0.078 0.000 1.056 718 V CA 1.464 63.712 62.300 -0.086 0.000 1.022 718 V CB -0.612 30.977 31.823 -0.389 0.000 0.641 718 V HN 0.114 nan 8.190 nan 0.000 0.445 719 V N -0.292 119.547 119.914 -0.124 0.000 2.278 719 V HA -0.375 3.747 4.120 0.004 0.000 0.251 719 V C 2.537 178.566 176.094 -0.108 0.000 1.062 719 V CA 2.551 64.792 62.300 -0.098 0.000 1.038 719 V CB -0.874 30.911 31.823 -0.063 0.000 0.646 719 V HN 0.470 nan 8.190 nan 0.000 0.447 720 R N -1.115 119.291 120.500 -0.156 0.000 2.073 720 R HA -0.107 4.236 4.340 0.004 0.000 0.234 720 R C 2.290 178.460 176.300 -0.216 0.000 1.134 720 R CA 1.815 57.791 56.100 -0.207 0.000 0.952 720 R CB -0.478 29.646 30.300 -0.292 0.000 0.850 720 R HN 0.488 nan 8.270 nan 0.000 0.433 721 F N 0.616 120.485 119.950 -0.135 0.000 2.236 721 F HA -0.247 4.282 4.527 0.004 0.000 0.302 721 F C 2.006 177.694 175.800 -0.187 0.000 1.073 721 F CA 0.953 58.867 58.000 -0.144 0.000 1.336 721 F CB -0.025 38.878 39.000 -0.161 0.000 1.040 721 F HN 0.034 nan 8.300 nan 0.000 0.507 722 L N -1.122 120.051 121.223 -0.084 0.000 2.298 722 L HA -0.054 4.289 4.340 0.004 0.000 0.209 722 L C 2.011 178.786 176.870 -0.160 0.000 1.084 722 L CA 0.225 54.883 54.840 -0.304 0.000 0.816 722 L CB -0.445 41.277 42.059 -0.562 0.000 0.967 722 L HN 0.026 nan 8.230 nan 0.000 0.460 723 N N 0.627 119.277 118.700 -0.082 0.000 2.062 723 N HA -0.181 4.562 4.740 0.004 0.000 0.191 723 N C 1.601 177.113 175.510 0.002 0.000 1.042 723 N CA 1.339 54.377 53.050 -0.021 0.000 0.845 723 N CB -0.237 38.231 38.487 -0.032 0.000 1.024 723 N HN 0.349 nan 8.380 nan 0.000 0.424 724 E N 0.926 121.113 120.200 -0.022 0.000 2.273 724 E HA -0.114 4.239 4.350 0.004 0.000 0.198 724 E C 1.784 178.404 176.600 0.033 0.000 1.002 724 E CA 0.941 57.339 56.400 -0.003 0.000 0.828 724 E CB -0.067 29.614 29.700 -0.031 0.000 0.747 724 E HN 0.376 nan 8.360 nan 0.000 0.491 725 A N 1.204 124.044 122.820 0.033 0.000 1.929 725 A HA -0.136 4.187 4.320 0.004 0.000 0.216 725 A C 2.086 179.733 177.584 0.104 0.000 1.176 725 A CA 1.129 53.201 52.037 0.058 0.000 0.628 725 A CB -0.234 18.775 19.000 0.014 0.000 0.816 725 A HN 0.068 nan 8.150 nan 0.000 0.444 726 R N -0.299 120.274 120.500 0.123 0.000 2.062 726 R HA -0.110 4.233 4.340 0.004 0.000 0.226 726 R C 1.004 177.391 176.300 0.145 0.000 1.125 726 R CA 1.602 57.790 56.100 0.147 0.000 0.966 726 R CB -0.228 30.167 30.300 0.158 0.000 0.861 726 R HN 0.386 nan 8.270 nan 0.000 0.433 727 D N 0.330 120.824 120.400 0.157 0.000 2.269 727 D HA -0.118 4.524 4.640 0.004 0.000 0.208 727 D C 1.563 177.970 176.300 0.178 0.000 0.963 727 D CA 0.902 55.044 54.000 0.237 0.000 0.864 727 D CB 0.013 40.900 40.800 0.145 0.000 0.936 727 D HN 0.108 nan 8.370 nan 0.000 0.505 728 K N 1.053 121.520 120.400 0.111 0.000 2.031 728 K HA 0.038 4.361 4.320 0.004 0.000 0.205 728 K C 1.853 178.515 176.600 0.105 0.000 1.049 728 K CA 1.244 57.582 56.287 0.085 0.000 0.939 728 K CB -0.248 32.290 32.500 0.064 0.000 0.717 728 K HN 0.016 nan 8.250 nan 0.000 0.438 729 A N 0.054 122.939 122.820 0.110 0.000 1.898 729 A HA 0.086 4.409 4.320 0.004 0.000 0.214 729 A C 2.346 179.994 177.584 0.108 0.000 1.183 729 A CA 1.519 53.612 52.037 0.094 0.000 0.622 729 A CB -1.353 17.696 19.000 0.081 0.000 0.824 729 A HN 0.450 nan 8.150 nan 0.000 0.444 730 G N 0.051 108.937 108.800 0.142 0.000 2.628 730 G HA2 -0.301 3.662 3.960 0.004 0.000 0.217 730 G HA3 -0.301 3.662 3.960 0.004 0.000 0.217 730 G C 1.505 176.600 174.900 0.325 0.000 1.240 730 G CA 0.990 46.176 45.100 0.142 0.000 0.792 730 G HN 0.535 nan 8.290 nan 0.000 0.593 731 R N 0.047 120.856 120.500 0.515 0.000 2.366 731 R HA 0.250 4.593 4.340 0.004 0.000 0.201 731 R C 1.978 178.376 176.300 0.162 0.000 1.057 731 R CA -0.132 56.167 56.100 0.331 0.000 1.086 731 R CB -0.218 30.107 30.300 0.042 0.000 0.914 731 R HN 0.348 nan 8.270 nan 0.000 0.476 732 L N -0.891 120.417 121.223 0.142 0.000 2.408 732 L HA 0.127 4.469 4.340 0.004 0.000 0.215 732 L C 1.942 178.860 176.870 0.079 0.000 1.081 732 L CA 0.373 55.266 54.840 0.088 0.000 0.840 732 L CB 0.029 42.130 42.059 0.071 0.000 1.002 732 L HN 0.187 nan 8.230 nan 0.000 0.468 733 A N -0.795 122.078 122.820 0.088 0.000 1.975 733 A HA -0.155 4.168 4.320 0.004 0.000 0.215 733 A C 2.026 179.655 177.584 0.074 0.000 1.170 733 A CA 0.843 52.915 52.037 0.059 0.000 0.656 733 A CB -0.231 18.783 19.000 0.023 0.000 0.821 733 A HN 0.409 nan 8.150 nan 0.000 0.449 734 E N -0.116 120.162 120.200 0.130 0.000 2.418 734 E HA -0.046 4.306 4.350 0.004 0.000 0.197 734 E C 1.211 177.870 176.600 0.099 0.000 1.026 734 E CA 0.801 57.286 56.400 0.143 0.000 0.862 734 E CB 0.081 29.941 29.700 0.267 0.000 0.799 734 E HN 0.363 nan 8.360 nan 0.000 0.518 735 V N 0.830 120.793 119.914 0.082 0.000 2.992 735 V HA -0.074 4.049 4.120 0.004 0.000 0.250 735 V C 1.863 177.985 176.094 0.047 0.000 1.090 735 V CA 1.242 63.576 62.300 0.057 0.000 1.101 735 V CB -0.179 31.673 31.823 0.049 0.000 0.743 735 V HN 0.242 nan 8.190 nan 0.000 0.468 736 N N -0.104 118.625 118.700 0.048 0.000 2.463 736 N HA 0.032 4.774 4.740 0.004 0.000 0.181 736 N C 0.547 176.078 175.510 0.035 0.000 1.078 736 N CA 0.276 53.349 53.050 0.038 0.000 0.902 736 N CB -0.090 38.418 38.487 0.034 0.000 0.970 736 N HN 0.375 nan 8.380 nan 0.000 0.451 737 L N 1.459 122.706 121.223 0.041 0.000 2.426 737 L HA 0.124 4.467 4.340 0.004 0.000 0.271 737 L C 0.680 177.573 176.870 0.038 0.000 1.169 737 L CA -0.123 54.740 54.840 0.039 0.000 0.836 737 L CB 0.713 42.800 42.059 0.046 0.000 1.112 737 L HN 0.176 nan 8.230 nan 0.000 0.465 738 K N 1.751 122.172 120.400 0.035 0.000 2.090 738 K HA 0.114 4.436 4.320 0.004 0.000 0.250 738 K C 0.045 176.670 176.600 0.042 0.000 1.004 738 K CA -0.757 55.551 56.287 0.035 0.000 0.919 738 K CB 0.872 33.391 32.500 0.031 0.000 1.045 738 K HN 0.432 nan 8.250 nan 0.000 0.471 739 D N 0.710 121.134 120.400 0.041 0.000 2.224 739 D HA -0.064 4.578 4.640 0.004 0.000 0.205 739 D C 1.414 177.748 176.300 0.057 0.000 0.965 739 D CA 0.872 54.899 54.000 0.045 0.000 0.852 739 D CB -0.067 40.755 40.800 0.037 0.000 0.947 739 D HN 0.354 nan 8.370 nan 0.000 0.494 740 L N -0.800 120.455 121.223 0.054 0.000 2.650 740 L HA 0.178 4.521 4.340 0.004 0.000 0.235 740 L C 0.383 177.294 176.870 0.068 0.000 1.149 740 L CA 0.059 54.937 54.840 0.064 0.000 0.887 740 L CB -1.157 40.931 42.059 0.049 0.000 1.021 740 L HN -0.214 nan 8.230 nan 0.000 0.441 741 N N 0.547 119.287 118.700 0.066 0.000 2.401 741 N HA 0.102 4.844 4.740 0.004 0.000 0.255 741 N C 0.801 176.368 175.510 0.095 0.000 1.110 741 N CA -0.105 52.981 53.050 0.059 0.000 0.949 741 N CB 0.336 38.852 38.487 0.048 0.000 1.110 741 N HN 0.225 nan 8.380 nan 0.000 0.490 742 N N 1.987 120.736 118.700 0.081 0.000 2.036 742 N HA -0.218 4.524 4.740 0.004 0.000 0.195 742 N C 1.277 176.907 175.510 0.200 0.000 1.037 742 N CA 1.334 54.475 53.050 0.152 0.000 0.855 742 N CB 0.057 38.444 38.487 -0.167 0.000 1.033 742 N HN 0.290 nan 8.380 nan 0.000 0.423 743 V N 1.543 121.512 119.914 0.092 0.000 2.324 743 V HA -0.281 3.842 4.120 0.004 0.000 0.250 743 V C 2.291 178.443 176.094 0.098 0.000 1.060 743 V CA 1.647 64.000 62.300 0.088 0.000 1.042 743 V CB -0.562 31.283 31.823 0.037 0.000 0.650 743 V HN 0.329 nan 8.190 nan 0.000 0.450 744 K N -0.243 120.209 120.400 0.088 0.000 2.057 744 K HA -0.216 4.107 4.320 0.004 0.000 0.207 744 K C 2.285 178.937 176.600 0.086 0.000 1.049 744 K CA 1.679 58.013 56.287 0.079 0.000 0.931 744 K CB -0.144 32.398 32.500 0.069 0.000 0.714 744 K HN 0.527 nan 8.250 nan 0.000 0.440 745 Q N -0.381 119.488 119.800 0.116 0.000 2.364 745 Q HA -0.079 4.264 4.340 0.004 0.000 0.209 745 Q C 1.830 177.858 176.000 0.047 0.000 0.977 745 Q CA 1.041 56.898 55.803 0.091 0.000 0.885 745 Q CB 0.097 28.924 28.738 0.147 0.000 0.941 745 Q HN 0.383 nan 8.270 nan 0.000 0.464 746 M N -1.203 118.455 119.600 0.098 0.000 2.435 746 M HA -0.070 4.412 4.480 0.004 0.000 0.265 746 M C 1.864 178.189 176.300 0.041 0.000 1.104 746 M CA 0.574 55.912 55.300 0.063 0.000 1.140 746 M CB 0.464 33.151 32.600 0.146 0.000 1.372 746 M HN 0.042 nan 8.290 nan 0.000 0.456 747 V N 0.415 120.361 119.914 0.054 0.000 2.346 747 V HA -0.186 3.936 4.120 0.004 0.000 0.244 747 V C 2.203 178.317 176.094 0.034 0.000 1.037 747 V CA 1.456 63.785 62.300 0.048 0.000 1.029 747 V CB -0.331 31.530 31.823 0.065 0.000 0.663 747 V HN 0.462 nan 8.190 nan 0.000 0.454 748 M N -0.269 119.349 119.600 0.031 0.000 2.346 748 M HA -0.181 4.301 4.480 0.004 0.000 0.263 748 M C 2.004 178.299 176.300 -0.008 0.000 1.064 748 M CA 1.905 57.214 55.300 0.014 0.000 1.083 748 M CB -0.357 32.252 32.600 0.015 0.000 1.399 748 M HN 0.435 nan 8.290 nan 0.000 0.435 749 A N -0.861 121.948 122.820 -0.017 0.000 1.956 749 A HA 0.406 4.728 4.320 0.004 0.000 0.212 749 A C 1.696 179.268 177.584 -0.021 0.000 1.188 749 A CA 0.924 52.938 52.037 -0.038 0.000 0.675 749 A CB -0.255 18.703 19.000 -0.070 0.000 0.845 749 A HN 0.546 nan 8.150 nan 0.000 0.455 750 G N -0.103 108.696 108.800 -0.003 0.000 2.142 750 G HA2 -0.232 3.730 3.960 0.004 0.000 0.225 750 G HA3 -0.232 3.730 3.960 0.004 0.000 0.225 750 G C 0.947 175.853 174.900 0.010 0.000 1.015 750 G CA 1.207 46.312 45.100 0.009 0.000 0.716 750 G HN 1.303 nan 8.290 nan 0.000 0.508 751 S N -1.492 114.212 115.700 0.007 0.000 2.362 751 S HA 0.397 4.870 4.470 0.004 0.000 0.221 751 S C 0.892 175.509 174.600 0.028 0.000 1.032 751 S CA 1.596 59.803 58.200 0.012 0.000 0.973 751 S CB 0.435 63.634 63.200 -0.000 0.000 0.849 751 S HN 0.493 nan 8.310 nan 0.000 0.465 752 K N -0.020 120.403 120.400 0.037 0.000 2.546 752 K HA 0.612 4.934 4.320 0.004 0.000 0.264 752 K C -0.176 176.449 176.600 0.042 0.000 0.937 752 K CA 0.518 56.829 56.287 0.039 0.000 0.833 752 K CB 1.594 34.121 32.500 0.044 0.000 1.378 752 K HN 0.651 nan 8.250 nan 0.000 0.432 753 G N 0.839 109.661 108.800 0.037 0.000 2.781 753 G HA2 0.062 4.025 3.960 0.004 0.000 0.683 753 G HA3 0.062 4.025 3.960 0.004 0.000 0.683 753 G C -0.591 174.338 174.900 0.048 0.000 1.390 753 G CA -0.148 44.974 45.100 0.036 0.000 0.850 753 G HN 1.249 nan 8.290 nan 0.000 0.557 754 S N -1.007 114.725 115.700 0.052 0.000 2.880 754 S HA 0.748 5.221 4.470 0.004 0.000 0.308 754 S C 0.854 175.513 174.600 0.099 0.000 1.195 754 S CA 0.358 58.610 58.200 0.088 0.000 0.866 754 S CB 1.134 64.396 63.200 0.104 0.000 1.254 754 S HN 1.904 nan 8.310 nan 0.000 0.571 755 F N 1.527 121.483 119.950 0.011 0.000 2.011 755 F HA -0.116 4.414 4.527 0.004 0.000 0.296 755 F C 2.190 177.996 175.800 0.010 0.000 1.144 755 F CA 2.134 60.139 58.000 0.008 0.000 1.185 755 F CB -0.822 38.176 39.000 -0.003 0.000 0.961 755 F HN 0.595 nan 8.300 nan 0.000 0.485 756 I N 1.298 121.730 120.570 -0.231 0.000 2.161 756 I HA -0.487 3.685 4.170 0.004 0.000 0.246 756 I C 1.906 177.851 176.117 -0.288 0.000 1.048 756 I CA 2.735 63.849 61.300 -0.309 0.000 1.314 756 I CB -0.836 37.149 38.000 -0.025 0.000 1.014 756 I HN 0.413 nan 8.210 nan 0.000 0.418 757 N N 0.193 118.799 118.700 -0.157 0.000 2.166 757 N HA -0.148 4.595 4.740 0.004 0.000 0.186 757 N C 1.871 177.311 175.510 -0.116 0.000 1.019 757 N CA 1.829 54.824 53.050 -0.092 0.000 0.856 757 N CB -0.208 38.253 38.487 -0.042 0.000 0.993 757 N HN 0.406 nan 8.380 nan 0.000 0.426 758 I N 0.919 121.382 120.570 -0.178 0.000 2.179 758 I HA -0.238 3.935 4.170 0.004 0.000 0.242 758 I C 2.390 178.393 176.117 -0.189 0.000 1.088 758 I CA 1.163 62.370 61.300 -0.154 0.000 1.357 758 I CB -1.082 36.829 38.000 -0.149 0.000 1.051 758 I HN 0.165 nan 8.210 nan 0.000 0.409 759 A N 0.577 123.178 122.820 -0.365 0.000 1.873 759 A HA -0.196 4.127 4.320 0.004 0.000 0.215 759 A C 2.286 179.775 177.584 -0.159 0.000 1.186 759 A CA 1.165 53.017 52.037 -0.309 0.000 0.616 759 A CB -0.565 18.130 19.000 -0.509 0.000 0.823 759 A HN 0.432 nan 8.150 nan 0.000 0.442 760 Q N -0.367 119.361 119.800 -0.120 0.000 1.978 760 Q HA -0.269 4.073 4.340 0.004 0.000 0.211 760 Q C 2.247 178.293 176.000 0.077 0.000 1.013 760 Q CA 2.140 57.948 55.803 0.009 0.000 0.869 760 Q CB -0.660 28.188 28.738 0.183 0.000 0.953 760 Q HN 0.750 nan 8.270 nan 0.000 0.415 761 M N -0.058 119.600 119.600 0.098 0.000 2.213 761 M HA -0.117 4.366 4.480 0.004 0.000 0.263 761 M C 1.954 178.280 176.300 0.044 0.000 1.062 761 M CA 1.485 56.850 55.300 0.109 0.000 1.105 761 M CB -0.026 32.591 32.600 0.029 0.000 1.385 761 M HN 0.119 nan 8.290 nan 0.000 0.417 762 S N -0.836 114.860 115.700 -0.007 0.000 2.599 762 S HA 0.305 4.777 4.470 0.004 0.000 0.236 762 S C 1.780 176.364 174.600 -0.026 0.000 1.077 762 S CA 0.257 58.449 58.200 -0.014 0.000 0.906 762 S CB 0.205 63.397 63.200 -0.014 0.000 0.804 762 S HN 0.436 nan 8.310 nan 0.000 0.497 763 A N 0.675 123.470 122.820 -0.043 0.000 1.922 763 A HA 0.555 4.878 4.320 0.004 0.000 0.216 763 A C 0.979 178.526 177.584 -0.062 0.000 1.370 763 A CA 0.894 52.908 52.037 -0.037 0.000 0.627 763 A CB -0.564 18.422 19.000 -0.023 0.000 1.060 763 A HN 0.722 nan 8.150 nan 0.000 0.487 764 C N -1.399 117.846 119.300 -0.092 0.000 3.171 764 C HA 0.524 4.987 4.460 0.004 0.000 0.336 764 C C 1.266 176.136 174.990 -0.200 0.000 1.198 764 C CA -0.072 58.857 59.018 -0.149 0.000 1.319 764 C CB 0.918 28.606 27.740 -0.088 0.000 1.682 764 C HN 1.162 nan 8.230 nan 0.000 0.497 765 V N 3.313 123.029 119.914 -0.330 0.000 2.878 765 V HA 0.645 4.767 4.120 0.004 0.000 0.250 765 V C 1.260 177.206 176.094 -0.247 0.000 1.075 765 V CA 1.980 64.056 62.300 -0.374 0.000 1.096 765 V CB -0.667 30.750 31.823 -0.676 0.000 0.724 765 V HN 2.792 nan 8.190 nan 0.000 0.467 766 G N 0.212 108.854 108.800 -0.263 0.000 2.610 766 G HA2 -0.156 3.806 3.960 0.004 0.000 0.304 766 G HA3 -0.156 3.806 3.960 0.004 0.000 0.304 766 G C -0.610 174.354 174.900 0.106 0.000 1.309 766 G CA 0.021 45.139 45.100 0.031 0.000 0.906 766 G HN 0.958 nan 8.290 nan 0.000 0.521 767 Q N -0.412 119.620 119.800 0.387 0.000 2.394 767 Q HA 0.601 4.943 4.340 0.004 0.000 0.248 767 Q C 0.479 176.541 176.000 0.104 0.000 0.992 767 Q CA 0.459 56.439 55.803 0.295 0.000 0.888 767 Q CB 0.753 29.605 28.738 0.190 0.000 1.257 767 Q HN 0.669 nan 8.270 nan 0.000 0.462 768 Q N 0.355 120.203 119.800 0.080 0.000 2.207 768 Q HA 0.754 5.097 4.340 0.004 0.000 0.237 768 Q C -1.353 174.669 176.000 0.038 0.000 0.998 768 Q CA -0.233 55.607 55.803 0.060 0.000 0.951 768 Q CB 2.060 30.852 28.738 0.089 0.000 1.213 768 Q HN 0.752 nan 8.270 nan 0.000 0.499 769 S N -1.322 114.403 115.700 0.043 0.000 2.542 769 S HA 0.799 5.271 4.470 0.004 0.000 0.276 769 S C -1.596 173.040 174.600 0.061 0.000 1.148 769 S CA -0.743 57.498 58.200 0.068 0.000 0.886 769 S CB 0.664 63.953 63.200 0.149 0.000 1.109 769 S HN 0.381 nan 8.310 nan 0.000 0.458 770 V N 1.034 120.976 119.914 0.046 0.000 2.932 770 V HA 0.747 4.869 4.120 0.004 0.000 0.307 770 V C 0.342 176.445 176.094 0.015 0.000 1.147 770 V CA -0.921 61.397 62.300 0.031 0.000 0.951 770 V CB 1.034 32.866 31.823 0.016 0.000 1.031 770 V HN 1.140 nan 8.190 nan 0.000 0.426 771 E N 1.905 122.108 120.200 0.004 0.000 3.426 771 E HA -0.267 4.085 4.350 0.004 0.000 0.291 771 E C 1.336 177.890 176.600 -0.077 0.000 0.898 771 E CA 2.443 58.832 56.400 -0.019 0.000 0.970 771 E CB -1.315 28.385 29.700 0.000 0.000 1.489 771 E HN 1.981 nan 8.360 nan 0.000 0.461 772 G N -1.377 107.361 108.800 -0.104 0.000 2.358 772 G HA2 -0.373 3.590 3.960 0.004 0.000 0.224 772 G HA3 -0.373 3.590 3.960 0.004 0.000 0.224 772 G C 0.228 175.079 174.900 -0.082 0.000 1.073 772 G CA 0.226 45.191 45.100 -0.226 0.000 0.635 772 G HN 0.291 nan 8.290 nan 0.000 0.509 773 K N 2.239 122.619 120.400 -0.032 0.000 2.270 773 K HA 0.450 4.773 4.320 0.004 0.000 0.276 773 K C 1.230 177.838 176.600 0.013 0.000 1.023 773 K CA -0.318 55.969 56.287 0.001 0.000 0.955 773 K CB 0.899 33.408 32.500 0.014 0.000 0.975 773 K HN 0.719 nan 8.250 nan 0.000 0.471 774 R N 1.637 122.142 120.500 0.009 0.000 2.919 774 R HA 0.110 4.452 4.340 0.004 0.000 0.284 774 R C 0.180 176.438 176.300 -0.071 0.000 1.104 774 R CA -0.619 55.470 56.100 -0.019 0.000 1.207 774 R CB 0.131 30.416 30.300 -0.024 0.000 1.162 774 R HN 0.391 nan 8.270 nan 0.000 0.561 775 I N 1.619 122.099 120.570 -0.149 0.000 2.742 775 I HA -0.063 4.109 4.170 0.004 0.000 0.287 775 I C 1.014 176.966 176.117 -0.274 0.000 1.186 775 I CA 0.530 61.692 61.300 -0.231 0.000 1.417 775 I CB -0.097 37.632 38.000 -0.452 0.000 1.377 775 I HN 0.782 nan 8.210 nan 0.000 0.556 776 A N 7.724 130.445 122.820 -0.166 0.000 2.325 776 A HA 0.332 4.654 4.320 0.004 0.000 0.260 776 A C -0.300 177.150 177.584 -0.224 0.000 1.133 776 A CA -0.126 51.834 52.037 -0.128 0.000 0.801 776 A CB 0.099 19.102 19.000 0.005 0.000 1.092 776 A HN 0.532 nan 8.150 nan 0.000 0.504 777 F N 0.415 120.398 119.950 0.054 0.000 2.329 777 F HA 0.379 4.908 4.527 0.004 0.000 0.362 777 F C 1.520 177.357 175.800 0.061 0.000 1.113 777 F CA 0.277 58.320 58.000 0.073 0.000 1.212 777 F CB 0.965 39.998 39.000 0.055 0.000 1.509 777 F HN 0.680 nan 8.300 nan 0.000 0.546 778 G N 2.744 111.642 108.800 0.163 0.000 2.396 778 G HA2 -0.088 3.875 3.960 0.004 0.000 0.214 778 G HA3 -0.088 3.875 3.960 0.004 0.000 0.214 778 G C 0.439 175.289 174.900 -0.083 0.000 1.166 778 G CA 0.125 45.217 45.100 -0.014 0.000 0.793 778 G HN 0.318 nan 8.290 nan 0.000 0.533 779 F N 0.132 120.199 119.950 0.195 0.000 2.371 779 F HA 0.409 4.938 4.527 0.004 0.000 0.329 779 F C 0.499 176.399 175.800 0.167 0.000 1.107 779 F CA -1.043 57.053 58.000 0.159 0.000 1.137 779 F CB 1.603 40.698 39.000 0.157 0.000 1.214 779 F HN -0.276 nan 8.300 nan 0.000 0.536 780 V N 3.011 123.110 119.914 0.308 0.000 2.425 780 V HA -0.022 4.100 4.120 0.004 0.000 0.276 780 V C -0.047 176.088 176.094 0.068 0.000 1.017 780 V CA 0.072 62.458 62.300 0.142 0.000 1.062 780 V CB -0.304 31.573 31.823 0.090 0.000 0.997 780 V HN 0.874 nan 8.190 nan 0.000 0.476 781 D N 2.669 123.008 120.400 -0.103 0.000 3.059 781 D HA -0.185 4.457 4.640 0.004 0.000 0.220 781 D C 0.540 176.759 176.300 -0.136 0.000 1.169 781 D CA 1.634 55.369 54.000 -0.440 0.000 0.902 781 D CB -0.459 40.173 40.800 -0.281 0.000 1.116 781 D HN 0.911 nan 8.370 nan 0.000 0.417 782 R N -2.612 118.129 120.500 0.402 0.000 2.831 782 R HA 0.705 5.047 4.340 0.004 0.000 0.266 782 R C 0.721 177.426 176.300 0.676 0.000 1.051 782 R CA -0.771 55.696 56.100 0.612 0.000 0.943 782 R CB 0.483 31.006 30.300 0.373 0.000 1.228 782 R HN -0.205 nan 8.270 nan 0.000 0.467 783 T N -0.327 114.525 114.554 0.497 0.000 2.988 783 T HA 0.300 4.652 4.350 0.004 0.000 0.240 783 T C 0.596 175.736 174.700 0.735 0.000 1.014 783 T CA 0.303 62.677 62.100 0.457 0.000 1.155 783 T CB 0.079 69.164 68.868 0.361 0.000 0.872 783 T HN 0.220 nan 8.240 nan 0.000 0.440 784 L N 0.859 122.529 121.223 0.745 0.000 2.388 784 L HA 0.389 4.731 4.340 0.004 0.000 0.264 784 L C -2.240 174.684 176.870 0.090 0.000 0.998 784 L CA -2.614 52.504 54.840 0.464 0.000 0.817 784 L CB 2.713 44.988 42.059 0.361 0.000 1.338 784 L HN -0.144 nan 8.230 nan 0.000 0.414 785 P HA -0.119 nan 4.420 nan 0.000 0.234 785 P C 0.593 177.606 177.300 -0.477 0.000 1.162 785 P CA 1.066 63.849 63.100 -0.528 0.000 0.759 785 P CB -0.068 31.182 31.700 -0.750 0.000 0.813 786 H N -2.766 116.110 119.070 -0.324 0.000 2.526 786 H HA 0.199 4.758 4.556 0.004 0.000 0.274 786 H C 0.407 175.480 175.328 -0.425 0.000 0.999 786 H CA 0.144 55.953 56.048 -0.399 0.000 1.157 786 H CB -0.096 29.342 29.762 -0.540 0.000 1.407 786 H HN 0.236 nan 8.280 nan 0.000 0.568 787 F N 0.405 120.417 119.950 0.102 0.000 2.579 787 F HA 0.263 4.792 4.527 0.004 0.000 0.324 787 F C 0.696 176.525 175.800 0.048 0.000 1.058 787 F CA -1.256 56.801 58.000 0.096 0.000 0.944 787 F CB 1.633 40.718 39.000 0.141 0.000 1.245 787 F HN -0.132 nan 8.300 nan 0.000 0.477 788 S N 0.545 116.415 115.700 0.283 0.000 2.617 788 S HA 0.220 4.693 4.470 0.004 0.000 0.255 788 S C -0.253 174.429 174.600 0.137 0.000 1.318 788 S CA -0.844 57.446 58.200 0.150 0.000 0.978 788 S CB 0.532 63.799 63.200 0.113 0.000 0.961 788 S HN 0.426 nan 8.310 nan 0.000 0.582 789 K N 0.749 121.192 120.400 0.071 0.000 2.090 789 K HA 0.186 4.508 4.320 0.004 0.000 0.250 789 K C -0.576 176.018 176.600 -0.009 0.000 1.004 789 K CA -0.439 55.866 56.287 0.030 0.000 0.919 789 K CB 0.219 32.715 32.500 -0.006 0.000 1.045 789 K HN 0.511 nan 8.250 nan 0.000 0.471 790 D N 2.052 122.388 120.400 -0.107 0.000 2.812 790 D HA -0.183 4.460 4.640 0.004 0.000 0.237 790 D C -1.069 175.194 176.300 -0.062 0.000 1.162 790 D CA 1.086 55.005 54.000 -0.136 0.000 0.740 790 D CB -0.602 40.179 40.800 -0.032 0.000 1.000 790 D HN 0.483 nan 8.370 nan 0.000 0.416 791 D N 0.292 120.620 120.400 -0.119 0.000 2.440 791 D HA 0.192 4.835 4.640 0.004 0.000 0.252 791 D C -0.449 175.761 176.300 -0.149 0.000 1.180 791 D CA -0.550 53.406 54.000 -0.074 0.000 0.894 791 D CB 0.216 40.967 40.800 -0.082 0.000 1.111 791 D HN 0.105 nan 8.370 nan 0.000 0.544 792 Y N 1.507 121.879 120.300 0.120 0.000 2.811 792 Y HA 0.181 4.734 4.550 0.004 0.000 0.330 792 Y C 1.213 177.176 175.900 0.106 0.000 1.081 792 Y CA -0.589 57.601 58.100 0.151 0.000 1.408 792 Y CB 0.136 38.757 38.460 0.267 0.000 1.235 792 Y HN 0.224 nan 8.280 nan 0.000 0.529 793 S N -0.210 115.554 115.700 0.106 0.000 2.632 793 S HA 0.248 4.721 4.470 0.004 0.000 0.267 793 S C -1.564 173.039 174.600 0.005 0.000 1.276 793 S CA -1.288 56.947 58.200 0.058 0.000 0.998 793 S CB 1.567 64.781 63.200 0.025 0.000 0.953 793 S HN 0.015 nan 8.310 nan 0.000 0.547 794 P HA -0.228 nan 4.420 nan 0.000 0.212 794 P C 1.619 178.977 177.300 0.096 0.000 1.178 794 P CA 1.720 64.845 63.100 0.041 0.000 0.915 794 P CB -0.268 31.467 31.700 0.059 0.000 0.788 795 E N 0.254 120.529 120.200 0.125 0.000 2.097 795 E HA -0.204 4.148 4.350 0.004 0.000 0.196 795 E C 2.171 178.805 176.600 0.056 0.000 1.000 795 E CA 1.755 58.249 56.400 0.157 0.000 0.804 795 E CB -1.432 28.380 29.700 0.186 0.000 0.740 795 E HN 0.213 nan 8.360 nan 0.000 0.454 796 S N 0.913 116.452 115.700 -0.268 0.000 2.368 796 S HA -0.083 4.389 4.470 0.004 0.000 0.225 796 S C 1.614 175.939 174.600 -0.459 0.000 1.030 796 S CA 1.056 58.799 58.200 -0.762 0.000 0.999 796 S CB -0.013 62.691 63.200 -0.826 0.000 0.844 796 S HN 0.260 nan 8.310 nan 0.000 0.459 797 K N 0.023 120.218 120.400 -0.342 0.000 2.397 797 K HA 0.291 4.613 4.320 0.004 0.000 0.202 797 K C 0.700 177.054 176.600 -0.411 0.000 1.022 797 K CA 0.517 56.566 56.287 -0.398 0.000 1.141 797 K CB 0.716 33.067 32.500 -0.249 0.000 0.857 797 K HN 0.441 nan 8.250 nan 0.000 0.514 798 G N 2.137 110.700 108.800 -0.396 0.000 2.181 798 G HA2 -0.223 3.740 3.960 0.004 0.000 0.152 798 G HA3 -0.223 3.740 3.960 0.004 0.000 0.152 798 G C -0.683 174.251 174.900 0.057 0.000 1.026 798 G CA -0.740 44.159 45.100 -0.334 0.000 0.699 798 G HN 0.269 nan 8.290 nan 0.000 0.497 799 F N 2.021 121.948 119.950 -0.038 0.000 2.390 799 F HA 0.600 5.129 4.527 0.004 0.000 0.361 799 F C 0.437 176.258 175.800 0.035 0.000 1.124 799 F CA -1.251 56.745 58.000 -0.007 0.000 1.149 799 F CB 1.382 40.372 39.000 -0.015 0.000 1.160 799 F HN 0.030 nan 8.300 nan 0.000 0.501 800 V N 7.708 127.354 119.914 -0.447 0.000 2.387 800 V HA 0.055 4.177 4.120 0.004 0.000 0.260 800 V C 1.222 176.812 176.094 -0.840 0.000 1.054 800 V CA -0.174 61.850 62.300 -0.460 0.000 0.967 800 V CB 0.761 32.373 31.823 -0.352 0.000 1.036 800 V HN 0.777 nan 8.190 nan 0.000 0.481 801 E N 4.193 124.018 120.200 -0.624 0.000 2.028 801 E HA -0.108 4.245 4.350 0.004 0.000 0.191 801 E C 0.909 177.311 176.600 -0.331 0.000 0.988 801 E CA 0.871 56.971 56.400 -0.501 0.000 0.799 801 E CB 0.130 29.738 29.700 -0.155 0.000 0.755 801 E HN 0.693 nan 8.360 nan 0.000 0.447 802 N N 1.022 119.575 118.700 -0.245 0.000 2.415 802 N HA 0.006 4.749 4.740 0.004 0.000 0.248 802 N C -0.153 175.210 175.510 -0.244 0.000 1.271 802 N CA 0.211 53.152 53.050 -0.182 0.000 0.913 802 N CB 0.898 39.311 38.487 -0.124 0.000 1.129 802 N HN 0.032 nan 8.380 nan 0.000 0.444 803 S N 0.369 115.961 115.700 -0.180 0.000 2.672 803 S HA 0.230 4.702 4.470 0.004 0.000 0.276 803 S C 1.104 175.598 174.600 -0.178 0.000 1.207 803 S CA -0.636 57.445 58.200 -0.198 0.000 1.002 803 S CB 0.365 63.508 63.200 -0.096 0.000 0.998 803 S HN 0.522 nan 8.310 nan 0.000 0.542 804 Y N -0.037 120.206 120.300 -0.096 0.000 2.384 804 Y HA -0.119 4.433 4.550 0.004 0.000 0.289 804 Y C 2.135 178.009 175.900 -0.042 0.000 1.152 804 Y CA 0.785 58.842 58.100 -0.072 0.000 1.258 804 Y CB -0.029 38.388 38.460 -0.073 0.000 0.979 804 Y HN 0.505 nan 8.280 nan 0.000 0.549 805 L N 0.691 121.971 121.223 0.094 0.000 2.034 805 L HA -0.120 4.222 4.340 0.004 0.000 0.203 805 L C 1.963 178.849 176.870 0.027 0.000 1.074 805 L CA 1.742 56.612 54.840 0.050 0.000 0.748 805 L CB -0.574 41.501 42.059 0.026 0.000 0.905 805 L HN 0.185 nan 8.230 nan 0.000 0.439 806 R N 0.438 120.939 120.500 0.002 0.000 2.148 806 R HA 0.109 4.452 4.340 0.004 0.000 0.227 806 R C 0.725 177.025 176.300 -0.001 0.000 1.103 806 R CA 0.613 56.709 56.100 -0.007 0.000 0.983 806 R CB -0.436 29.849 30.300 -0.024 0.000 0.874 806 R HN 0.585 nan 8.270 nan 0.000 0.451 807 G N 0.620 109.420 108.800 0.000 0.000 2.788 807 G HA2 -0.147 3.815 3.960 0.004 0.000 0.686 807 G HA3 -0.147 3.815 3.960 0.004 0.000 0.686 807 G C -0.750 174.146 174.900 -0.007 0.000 1.147 807 G CA -1.083 44.030 45.100 0.021 0.000 0.755 807 G HN -0.012 nan 8.290 nan 0.000 0.634 808 L N 1.092 122.325 121.223 0.017 0.000 2.468 808 L HA 0.665 5.007 4.340 0.004 0.000 0.253 808 L C 1.855 178.750 176.870 0.041 0.000 1.237 808 L CA 0.844 55.688 54.840 0.007 0.000 0.823 808 L CB 0.610 42.704 42.059 0.058 0.000 1.124 808 L HN 1.139 nan 8.230 nan 0.000 0.504 809 T N -2.667 111.907 114.554 0.033 0.000 2.937 809 T HA 0.488 4.840 4.350 0.004 0.000 0.283 809 T C -2.057 172.664 174.700 0.035 0.000 1.012 809 T CA -1.787 60.326 62.100 0.022 0.000 0.997 809 T CB 1.401 70.270 68.868 0.003 0.000 1.136 809 T HN 0.328 nan 8.240 nan 0.000 0.551 810 P HA -0.174 nan 4.420 nan 0.000 0.211 810 P C 1.577 178.818 177.300 -0.099 0.000 1.181 810 P CA 1.461 64.509 63.100 -0.086 0.000 0.929 810 P CB -0.068 31.531 31.700 -0.169 0.000 0.789 811 Q N -0.115 119.555 119.800 -0.215 0.000 2.014 811 Q HA -0.211 4.131 4.340 0.004 0.000 0.207 811 Q C 2.166 177.949 176.000 -0.362 0.000 0.993 811 Q CA 1.800 57.371 55.803 -0.386 0.000 0.850 811 Q CB -1.074 27.512 28.738 -0.252 0.000 0.916 811 Q HN 0.385 nan 8.270 nan 0.000 0.417 812 E N -0.044 120.135 120.200 -0.035 0.000 2.068 812 E HA -0.268 4.084 4.350 0.004 0.000 0.207 812 E C 1.742 178.397 176.600 0.092 0.000 1.032 812 E CA 1.409 57.871 56.400 0.104 0.000 0.839 812 E CB -0.406 29.331 29.700 0.062 0.000 0.758 812 E HN 0.295 nan 8.360 nan 0.000 0.457 813 F N 0.544 120.484 119.950 -0.018 0.000 2.063 813 F HA -0.325 4.204 4.527 0.004 0.000 0.298 813 F C 2.162 177.986 175.800 0.039 0.000 1.105 813 F CA 1.908 59.930 58.000 0.036 0.000 1.215 813 F CB -0.350 38.665 39.000 0.024 0.000 0.972 813 F HN 0.017 nan 8.300 nan 0.000 0.483 814 F N -0.103 119.900 119.950 0.088 0.000 2.171 814 F HA -0.172 4.358 4.527 0.004 0.000 0.300 814 F C 1.898 177.677 175.800 -0.035 0.000 1.090 814 F CA 1.536 59.532 58.000 -0.007 0.000 1.293 814 F CB -0.724 38.166 39.000 -0.182 0.000 1.013 814 F HN 0.018 nan 8.300 nan 0.000 0.486 815 F N -1.140 118.908 119.950 0.163 0.000 2.039 815 F HA -0.219 4.310 4.527 0.004 0.000 0.294 815 F C 2.646 178.418 175.800 -0.047 0.000 1.130 815 F CA 1.332 59.367 58.000 0.058 0.000 1.189 815 F CB -1.122 37.952 39.000 0.123 0.000 0.983 815 F HN -0.026 nan 8.300 nan 0.000 0.471 816 H N 0.749 119.848 119.070 0.048 0.000 2.437 816 H HA -0.238 4.320 4.556 0.004 0.000 0.296 816 H C 1.955 177.178 175.328 -0.175 0.000 1.121 816 H CA 1.275 57.270 56.048 -0.088 0.000 1.255 816 H CB -0.474 29.187 29.762 -0.169 0.000 1.366 816 H HN 0.229 nan 8.280 nan 0.000 0.512 817 A N 0.342 122.956 122.820 -0.344 0.000 1.865 817 A HA -0.227 4.095 4.320 0.004 0.000 0.217 817 A C 2.565 179.947 177.584 -0.337 0.000 1.191 817 A CA 2.100 53.881 52.037 -0.428 0.000 0.623 817 A CB -0.828 17.901 19.000 -0.451 0.000 0.826 817 A HN 0.533 nan 8.150 nan 0.000 0.444 818 M N -0.238 119.181 119.600 -0.302 0.000 2.267 818 M HA -0.099 4.383 4.480 0.004 0.000 0.263 818 M C 2.100 178.336 176.300 -0.108 0.000 1.063 818 M CA 1.260 56.449 55.300 -0.185 0.000 1.090 818 M CB -0.478 32.077 32.600 -0.075 0.000 1.392 818 M HN 0.533 nan 8.290 nan 0.000 0.422 819 G N -0.201 108.538 108.800 -0.101 0.000 2.499 819 G HA2 -0.041 3.922 3.960 0.004 0.000 0.213 819 G HA3 -0.041 3.922 3.960 0.004 0.000 0.213 819 G C 1.531 176.370 174.900 -0.101 0.000 1.230 819 G CA 0.649 45.714 45.100 -0.057 0.000 0.813 819 G HN 0.501 nan 8.290 nan 0.000 0.542 820 G N 0.706 109.379 108.800 -0.213 0.000 2.503 820 G HA2 -0.315 3.648 3.960 0.004 0.000 0.221 820 G HA3 -0.315 3.648 3.960 0.004 0.000 0.221 820 G C 1.867 176.686 174.900 -0.136 0.000 1.131 820 G CA 1.502 46.480 45.100 -0.205 0.000 0.756 820 G HN 0.473 nan 8.290 nan 0.000 0.572 821 R N 0.801 121.214 120.500 -0.145 0.000 2.096 821 R HA -0.120 4.222 4.340 0.004 0.000 0.240 821 R C 2.343 178.607 176.300 -0.060 0.000 1.139 821 R CA 2.157 58.198 56.100 -0.099 0.000 0.952 821 R CB -0.774 29.464 30.300 -0.103 0.000 0.854 821 R HN 0.519 nan 8.270 nan 0.000 0.436 822 E N -1.149 119.022 120.200 -0.049 0.000 2.130 822 E HA -0.175 4.177 4.350 0.004 0.000 0.196 822 E C 1.731 178.322 176.600 -0.015 0.000 0.998 822 E CA 1.265 57.653 56.400 -0.021 0.000 0.806 822 E CB -0.402 29.296 29.700 -0.005 0.000 0.738 822 E HN 0.603 nan 8.360 nan 0.000 0.459 823 G N 1.343 110.130 108.800 -0.022 0.000 2.545 823 G HA2 -0.290 3.672 3.960 0.004 0.000 0.217 823 G HA3 -0.290 3.672 3.960 0.004 0.000 0.217 823 G C 1.519 176.409 174.900 -0.017 0.000 1.218 823 G CA 1.262 46.353 45.100 -0.015 0.000 0.787 823 G HN 0.224 nan 8.290 nan 0.000 0.571 824 L N 0.515 121.723 121.223 -0.026 0.000 2.127 824 L HA -0.087 4.256 4.340 0.004 0.000 0.211 824 L C 2.782 179.642 176.870 -0.017 0.000 1.089 824 L CA 0.360 55.187 54.840 -0.023 0.000 0.757 824 L CB -0.651 41.391 42.059 -0.029 0.000 0.899 824 L HN 0.109 nan 8.230 nan 0.000 0.434 825 I N 0.433 120.993 120.570 -0.017 0.000 2.127 825 I HA -0.260 3.912 4.170 0.004 0.000 0.241 825 I C 2.188 178.302 176.117 -0.005 0.000 1.075 825 I CA 1.637 62.931 61.300 -0.011 0.000 1.334 825 I CB -1.158 36.836 38.000 -0.009 0.000 1.040 825 I HN 0.286 nan 8.210 nan 0.000 0.405 826 D N 0.782 121.181 120.400 -0.002 0.000 2.077 826 D HA -0.138 4.504 4.640 0.004 0.000 0.196 826 D C 2.234 178.534 176.300 -0.001 0.000 0.986 826 D CA 2.268 56.269 54.000 0.003 0.000 0.829 826 D CB -0.748 40.057 40.800 0.007 0.000 0.983 826 D HN 0.363 nan 8.370 nan 0.000 0.453 827 T N -0.907 113.644 114.554 -0.005 0.000 2.869 827 T HA -0.106 4.247 4.350 0.004 0.000 0.270 827 T C 1.912 176.607 174.700 -0.008 0.000 1.082 827 T CA 1.420 63.516 62.100 -0.007 0.000 1.123 827 T CB -0.324 68.538 68.868 -0.010 0.000 0.856 827 T HN 0.149 nan 8.240 nan 0.000 0.499 828 A N 0.794 123.609 122.820 -0.008 0.000 1.874 828 A HA 0.306 4.629 4.320 0.004 0.000 0.214 828 A C 2.376 179.956 177.584 -0.007 0.000 1.189 828 A CA 1.232 53.264 52.037 -0.008 0.000 0.615 828 A CB -0.161 18.834 19.000 -0.009 0.000 0.830 828 A HN 0.472 nan 8.150 nan 0.000 0.443 829 V N -1.216 118.695 119.914 -0.005 0.000 3.612 829 V HA 0.117 4.240 4.120 0.004 0.000 0.268 829 V C 1.969 178.063 176.094 -0.000 0.000 1.365 829 V CA 0.923 63.221 62.300 -0.005 0.000 1.044 829 V CB 0.048 31.868 31.823 -0.005 0.000 0.820 829 V HN 0.548 nan 8.190 nan 0.000 0.444 830 K N 1.104 121.506 120.400 0.004 0.000 2.116 830 K HA -0.111 4.211 4.320 0.004 0.000 0.203 830 K C 2.085 178.692 176.600 0.011 0.000 1.052 830 K CA 1.711 58.004 56.287 0.010 0.000 0.952 830 K CB -0.141 32.366 32.500 0.012 0.000 0.729 830 K HN 0.467 nan 8.250 nan 0.000 0.446 831 T N 1.168 115.725 114.554 0.005 0.000 2.653 831 T HA -0.215 4.137 4.350 0.004 0.000 0.268 831 T C 1.861 176.571 174.700 0.016 0.000 1.035 831 T CA 1.532 63.634 62.100 0.005 0.000 1.154 831 T CB -0.479 68.387 68.868 -0.003 0.000 0.862 831 T HN 0.394 nan 8.240 nan 0.000 0.441 832 A N 0.905 123.732 122.820 0.012 0.000 2.245 832 A HA -0.151 4.172 4.320 0.004 0.000 0.217 832 A C 2.109 179.721 177.584 0.046 0.000 1.171 832 A CA 1.472 53.518 52.037 0.015 0.000 0.688 832 A CB -0.474 18.518 19.000 -0.013 0.000 0.781 832 A HN 0.644 nan 8.150 nan 0.000 0.479 833 E N -1.697 118.538 120.200 0.058 0.000 2.152 833 E HA -0.036 4.316 4.350 0.004 0.000 0.195 833 E C 1.759 178.423 176.600 0.108 0.000 0.934 833 E CA 0.844 57.309 56.400 0.108 0.000 0.869 833 E CB -0.091 29.655 29.700 0.077 0.000 0.842 833 E HN 0.494 nan 8.360 nan 0.000 0.472 834 T N 0.380 114.965 114.554 0.052 0.000 2.918 834 T HA -0.144 4.208 4.350 0.004 0.000 0.271 834 T C 1.596 176.307 174.700 0.018 0.000 1.104 834 T CA 1.211 63.323 62.100 0.021 0.000 1.114 834 T CB -0.210 68.657 68.868 -0.002 0.000 0.855 834 T HN 0.292 nan 8.240 nan 0.000 0.518 835 G N -0.998 107.832 108.800 0.050 0.000 2.762 835 G HA2 0.028 3.991 3.960 0.004 0.000 0.209 835 G HA3 0.028 3.991 3.960 0.004 0.000 0.209 835 G C 1.153 176.116 174.900 0.104 0.000 1.134 835 G CA -0.217 44.910 45.100 0.046 0.000 0.781 835 G HN 0.464 nan 8.290 nan 0.000 0.528 836 Y N 1.217 121.515 120.300 -0.003 0.000 2.286 836 Y HA 0.082 4.634 4.550 0.004 0.000 0.293 836 Y C 2.377 178.301 175.900 0.040 0.000 1.124 836 Y CA 0.170 58.279 58.100 0.015 0.000 1.178 836 Y CB -0.006 38.462 38.460 0.014 0.000 1.010 836 Y HN 0.049 nan 8.280 nan 0.000 0.536 837 I N 0.723 121.279 120.570 -0.024 0.000 2.127 837 I HA -0.334 3.838 4.170 0.004 0.000 0.241 837 I C 2.530 178.572 176.117 -0.125 0.000 1.075 837 I CA 1.445 62.682 61.300 -0.106 0.000 1.334 837 I CB -1.480 36.501 38.000 -0.031 0.000 1.040 837 I HN 0.320 nan 8.210 nan 0.000 0.405 838 Q N 0.376 120.128 119.800 -0.080 0.000 2.096 838 Q HA -0.258 4.084 4.340 0.004 0.000 0.208 838 Q C 2.471 178.418 176.000 -0.088 0.000 0.993 838 Q CA 1.863 57.614 55.803 -0.087 0.000 0.862 838 Q CB -0.218 28.478 28.738 -0.070 0.000 0.915 838 Q HN 0.446 nan 8.270 nan 0.000 0.416 839 R N -0.373 120.085 120.500 -0.070 0.000 2.092 839 R HA -0.084 4.258 4.340 0.004 0.000 0.231 839 R C 2.408 178.705 176.300 -0.005 0.000 1.119 839 R CA 1.145 57.230 56.100 -0.024 0.000 0.970 839 R CB 0.056 30.372 30.300 0.027 0.000 0.864 839 R HN 0.187 nan 8.270 nan 0.000 0.440 840 R N 0.172 120.611 120.500 -0.101 0.000 2.057 840 R HA -0.047 4.296 4.340 0.004 0.000 0.229 840 R C 2.381 178.520 176.300 -0.268 0.000 1.136 840 R CA 1.137 57.200 56.100 -0.061 0.000 0.952 840 R CB -0.457 29.774 30.300 -0.114 0.000 0.848 840 R HN 0.130 nan 8.270 nan 0.000 0.430 841 L N 0.294 121.375 121.223 -0.237 0.000 1.997 841 L HA -0.275 4.067 4.340 0.004 0.000 0.216 841 L C 2.432 179.149 176.870 -0.255 0.000 1.074 841 L CA 1.419 56.103 54.840 -0.259 0.000 0.763 841 L CB -0.740 41.210 42.059 -0.181 0.000 0.890 841 L HN 0.077 nan 8.230 nan 0.000 0.434 842 V N -0.390 119.420 119.914 -0.174 0.000 2.282 842 V HA -0.309 3.813 4.120 0.004 0.000 0.249 842 V C 2.618 178.620 176.094 -0.153 0.000 1.057 842 V CA 1.747 63.966 62.300 -0.136 0.000 1.032 842 V CB -0.513 31.262 31.823 -0.081 0.000 0.645 842 V HN 0.382 nan 8.190 nan 0.000 0.447 843 K N -0.424 119.885 120.400 -0.151 0.000 2.217 843 K HA 0.053 4.376 4.320 0.004 0.000 0.202 843 K C 2.106 178.503 176.600 -0.338 0.000 1.051 843 K CA 1.256 57.470 56.287 -0.122 0.000 0.952 843 K CB -0.315 32.249 32.500 0.108 0.000 0.736 843 K HN 0.494 nan 8.250 nan 0.000 0.453 844 A N 0.572 122.932 122.820 -0.767 0.000 1.975 844 A HA 0.017 4.339 4.320 0.004 0.000 0.215 844 A C 2.084 179.383 177.584 -0.474 0.000 1.170 844 A CA 0.702 52.069 52.037 -1.116 0.000 0.656 844 A CB -0.118 17.803 19.000 -1.797 0.000 0.821 844 A HN 0.140 nan 8.150 nan 0.000 0.449 845 L N -2.237 118.790 121.223 -0.326 0.000 2.187 845 L HA 0.075 4.417 4.340 0.004 0.000 0.197 845 L C 1.870 178.670 176.870 -0.117 0.000 1.090 845 L CA 0.930 55.661 54.840 -0.182 0.000 0.781 845 L CB -0.864 41.107 42.059 -0.146 0.000 0.956 845 L HN 0.566 nan 8.230 nan 0.000 0.463 846 E N 0.977 121.112 120.200 -0.109 0.000 3.676 846 E HA -0.404 3.949 4.350 0.004 0.000 0.424 846 E C 0.746 177.318 176.600 -0.046 0.000 1.535 846 E CA 2.312 58.670 56.400 -0.069 0.000 1.478 846 E CB -1.021 28.643 29.700 -0.059 0.000 1.384 846 E HN 0.736 nan 8.360 nan 0.000 0.349 847 D N 1.179 121.559 120.400 -0.033 0.000 2.346 847 D HA -0.029 4.614 4.640 0.004 0.000 0.248 847 D C 0.552 176.851 176.300 -0.003 0.000 1.173 847 D CA 0.262 54.252 54.000 -0.016 0.000 0.878 847 D CB -0.369 40.429 40.800 -0.003 0.000 0.919 847 D HN 0.177 nan 8.370 nan 0.000 0.513 848 I N 2.268 122.832 120.570 -0.011 0.000 2.311 848 I HA 0.151 4.324 4.170 0.004 0.000 0.297 848 I C 0.630 176.754 176.117 0.011 0.000 1.131 848 I CA -0.109 61.197 61.300 0.010 0.000 1.289 848 I CB -0.345 37.657 38.000 0.005 0.000 1.446 848 I HN 0.109 nan 8.210 nan 0.000 0.524 849 M N 5.152 124.766 119.600 0.024 0.000 2.528 849 M HA 0.645 5.128 4.480 0.004 0.000 0.321 849 M C -0.885 175.429 176.300 0.022 0.000 1.153 849 M CA -0.805 54.475 55.300 -0.034 0.000 0.951 849 M CB 2.120 34.649 32.600 -0.119 0.000 1.705 849 M HN -0.028 nan 8.290 nan 0.000 0.451 850 V N 3.500 123.376 119.914 -0.064 0.000 2.508 850 V HA 0.201 4.323 4.120 0.004 0.000 0.281 850 V C 0.405 176.447 176.094 -0.086 0.000 1.041 850 V CA -0.088 62.191 62.300 -0.034 0.000 1.016 850 V CB -0.265 31.474 31.823 -0.141 0.000 0.984 850 V HN 0.811 nan 8.190 nan 0.000 0.478 851 H N 2.941 121.935 119.070 -0.127 0.000 2.530 851 H HA 0.253 4.811 4.556 0.004 0.000 0.342 851 H C -0.162 175.066 175.328 -0.167 0.000 1.312 851 H CA -0.479 55.485 56.048 -0.140 0.000 1.376 851 H CB 1.177 30.922 29.762 -0.030 0.000 1.692 851 H HN 0.596 nan 8.280 nan 0.000 0.622 852 Y N 0.733 121.115 120.300 0.138 0.000 2.542 852 Y HA -0.113 4.439 4.550 0.004 0.000 0.326 852 Y C 1.108 177.046 175.900 0.064 0.000 1.218 852 Y CA 0.279 58.419 58.100 0.067 0.000 1.277 852 Y CB -0.037 38.451 38.460 0.047 0.000 1.064 852 Y HN 0.566 nan 8.280 nan 0.000 0.499 853 D N -2.937 117.570 120.400 0.178 0.000 2.474 853 D HA -0.002 4.641 4.640 0.004 0.000 0.213 853 D C 0.699 177.048 176.300 0.083 0.000 1.120 853 D CA 0.104 54.172 54.000 0.114 0.000 0.836 853 D CB -0.180 40.670 40.800 0.084 0.000 1.019 853 D HN 0.038 nan 8.370 nan 0.000 0.507 854 N N -0.165 118.578 118.700 0.072 0.000 2.984 854 N HA -0.145 4.598 4.740 0.004 0.000 0.227 854 N C -0.567 174.984 175.510 0.067 0.000 0.903 854 N CA 1.305 54.389 53.050 0.056 0.000 0.995 854 N CB -1.590 36.932 38.487 0.058 0.000 1.065 854 N HN 0.618 nan 8.380 nan 0.000 0.585 855 T N -1.857 112.721 114.554 0.040 0.000 2.909 855 T HA 0.480 4.832 4.350 0.004 0.000 0.289 855 T C 0.339 175.032 174.700 -0.012 0.000 1.005 855 T CA -0.099 61.993 62.100 -0.014 0.000 1.084 855 T CB 1.806 70.599 68.868 -0.125 0.000 0.975 855 T HN 0.051 nan 8.240 nan 0.000 0.509 856 T N 4.332 118.874 114.554 -0.019 0.000 2.747 856 T HA 0.453 4.805 4.350 0.004 0.000 0.301 856 T C 0.229 174.896 174.700 -0.054 0.000 0.952 856 T CA -0.642 61.473 62.100 0.026 0.000 0.983 856 T CB -0.221 68.697 68.868 0.084 0.000 0.930 856 T HN 0.770 nan 8.240 nan 0.000 0.494 857 R N 2.485 122.969 120.500 -0.026 0.000 2.808 857 R HA 0.556 4.898 4.340 0.004 0.000 0.272 857 R C -0.262 176.048 176.300 0.016 0.000 0.995 857 R CA -1.183 54.865 56.100 -0.087 0.000 0.917 857 R CB 1.536 31.683 30.300 -0.255 0.000 1.217 857 R HN 0.626 nan 8.270 nan 0.000 0.471 858 N N -0.440 118.254 118.700 -0.010 0.000 2.593 858 N HA 0.075 4.817 4.740 0.004 0.000 0.304 858 N C 0.458 175.992 175.510 0.039 0.000 1.296 858 N CA -0.476 52.587 53.050 0.022 0.000 0.950 858 N CB 0.911 39.397 38.487 -0.001 0.000 1.127 858 N HN 0.633 nan 8.380 nan 0.000 0.587 859 S N -0.546 115.173 115.700 0.032 0.000 2.469 859 S HA -0.054 4.418 4.470 0.004 0.000 0.238 859 S C 1.610 176.224 174.600 0.024 0.000 0.998 859 S CA 0.618 58.840 58.200 0.036 0.000 0.957 859 S CB -0.617 62.599 63.200 0.026 0.000 0.764 859 S HN 0.513 nan 8.310 nan 0.000 0.514 860 L N 0.459 121.685 121.223 0.006 0.000 2.607 860 L HA 0.388 4.731 4.340 0.004 0.000 0.228 860 L C 1.898 178.754 176.870 -0.022 0.000 1.123 860 L CA 0.323 55.160 54.840 -0.004 0.000 0.890 860 L CB -0.444 41.611 42.059 -0.006 0.000 1.103 860 L HN 0.540 nan 8.230 nan 0.000 0.468 861 G N 0.028 108.802 108.800 -0.043 0.000 2.199 861 G HA2 -0.266 3.696 3.960 0.004 0.000 0.254 861 G HA3 -0.266 3.696 3.960 0.004 0.000 0.254 861 G C 0.131 174.959 174.900 -0.120 0.000 0.982 861 G CA -0.172 44.869 45.100 -0.099 0.000 0.632 861 G HN 0.377 nan 8.290 nan 0.000 0.529 862 N N 0.848 119.497 118.700 -0.084 0.000 2.440 862 N HA 0.330 5.072 4.740 0.004 0.000 0.265 862 N C 0.678 176.104 175.510 -0.140 0.000 1.239 862 N CA 0.149 53.145 53.050 -0.089 0.000 0.909 862 N CB 1.328 39.785 38.487 -0.049 0.000 1.066 862 N HN 0.223 nan 8.380 nan 0.000 0.474 863 V N 3.793 123.582 119.914 -0.208 0.000 2.740 863 V HA 0.012 4.135 4.120 0.004 0.000 0.303 863 V C 1.520 177.474 176.094 -0.234 0.000 1.054 863 V CA 0.124 62.222 62.300 -0.335 0.000 1.106 863 V CB 0.596 32.004 31.823 -0.693 0.000 0.957 863 V HN 0.528 nan 8.190 nan 0.000 0.486 864 I N 2.155 122.607 120.570 -0.197 0.000 3.366 864 I HA 0.233 4.406 4.170 0.004 0.000 0.267 864 I C 0.728 176.801 176.117 -0.073 0.000 1.149 864 I CA 0.677 61.920 61.300 -0.095 0.000 1.436 864 I CB -0.374 37.597 38.000 -0.048 0.000 1.379 864 I HN 0.588 nan 8.210 nan 0.000 0.460 865 Q N -0.667 119.079 119.800 -0.090 0.000 2.433 865 Q HA 0.433 4.775 4.340 0.004 0.000 0.279 865 Q C -0.386 175.569 176.000 -0.075 0.000 1.105 865 Q CA -0.582 55.224 55.803 0.005 0.000 0.815 865 Q CB 2.695 31.459 28.738 0.044 0.000 1.403 865 Q HN -0.004 nan 8.270 nan 0.000 0.435 866 F N 0.184 120.144 119.950 0.017 0.000 2.714 866 F HA 0.298 4.827 4.527 0.004 0.000 0.294 866 F C 0.340 176.160 175.800 0.034 0.000 1.120 866 F CA 0.234 58.246 58.000 0.019 0.000 1.398 866 F CB 0.718 39.724 39.000 0.011 0.000 1.120 866 F HN 0.294 nan 8.300 nan 0.000 0.589 867 I N -1.823 118.864 120.570 0.196 0.000 2.571 867 I HA 0.169 4.341 4.170 0.004 0.000 0.289 867 I C -0.912 175.286 176.117 0.135 0.000 1.115 867 I CA -1.449 59.938 61.300 0.145 0.000 1.045 867 I CB 1.135 39.207 38.000 0.120 0.000 1.238 867 I HN -0.226 nan 8.210 nan 0.000 0.424 868 Y N 5.518 125.838 120.300 0.032 0.000 2.895 868 Y HA 0.196 4.749 4.550 0.004 0.000 0.334 868 Y C 1.493 177.415 175.900 0.036 0.000 1.261 868 Y CA 1.250 59.362 58.100 0.021 0.000 1.560 868 Y CB 0.483 38.945 38.460 0.004 0.000 1.253 868 Y HN 0.923 nan 8.280 nan 0.000 0.582 869 G N 4.924 113.315 108.800 -0.682 0.000 2.416 869 G HA2 -0.373 3.589 3.960 0.004 0.000 0.301 869 G HA3 -0.373 3.589 3.960 0.004 0.000 0.301 869 G C 0.461 175.290 174.900 -0.118 0.000 0.985 869 G CA 0.954 45.757 45.100 -0.496 0.000 0.934 869 G HN 1.051 nan 8.290 nan 0.000 0.513 870 E N -2.298 117.880 120.200 -0.037 0.000 3.975 870 E HA -0.286 4.066 4.350 0.004 0.000 0.342 870 E C 0.922 177.537 176.600 0.026 0.000 0.677 870 E CA 1.547 57.960 56.400 0.022 0.000 1.238 870 E CB -0.904 28.816 29.700 0.032 0.000 1.665 870 E HN 0.883 nan 8.360 nan 0.000 0.429 871 D N -1.066 119.350 120.400 0.026 0.000 2.530 871 D HA 0.144 4.786 4.640 0.004 0.000 0.290 871 D C 0.763 177.098 176.300 0.059 0.000 1.398 871 D CA 0.529 54.559 54.000 0.050 0.000 0.848 871 D CB -0.167 40.659 40.800 0.043 0.000 1.279 871 D HN 0.353 nan 8.370 nan 0.000 0.483 872 G N 1.359 110.219 108.800 0.100 0.000 2.333 872 G HA2 -0.202 3.760 3.960 0.004 0.000 0.296 872 G HA3 -0.202 3.760 3.960 0.004 0.000 0.296 872 G C -0.401 174.543 174.900 0.072 0.000 1.059 872 G CA 0.626 45.807 45.100 0.136 0.000 1.050 872 G HN 0.373 nan 8.290 nan 0.000 0.508 873 M N 0.461 120.150 119.600 0.149 0.000 2.326 873 M HA 0.469 4.952 4.480 0.004 0.000 0.306 873 M C -0.591 175.816 176.300 0.178 0.000 1.054 873 M CA -1.397 53.929 55.300 0.044 0.000 0.922 873 M CB 1.823 34.407 32.600 -0.026 0.000 1.632 873 M HN 0.162 nan 8.290 nan 0.000 0.436 874 D N 2.975 123.446 120.400 0.117 0.000 2.339 874 D HA 0.368 5.010 4.640 0.004 0.000 0.256 874 D C 0.958 177.378 176.300 0.200 0.000 1.214 874 D CA 0.422 54.535 54.000 0.190 0.000 0.877 874 D CB 1.248 42.205 40.800 0.261 0.000 1.111 874 D HN 0.753 nan 8.370 nan 0.000 0.478 875 A N 4.599 127.523 122.820 0.172 0.000 1.985 875 A HA -0.274 4.049 4.320 0.004 0.000 0.223 875 A C 2.151 179.788 177.584 0.088 0.000 1.189 875 A CA 2.599 54.702 52.037 0.110 0.000 0.658 875 A CB -0.824 18.220 19.000 0.073 0.000 0.820 875 A HN 0.712 nan 8.150 nan 0.000 0.464 876 A N -0.392 122.451 122.820 0.038 0.000 1.849 876 A HA -0.197 4.126 4.320 0.004 0.000 0.217 876 A C 1.437 178.942 177.584 -0.132 0.000 1.202 876 A CA 1.321 53.290 52.037 -0.113 0.000 0.629 876 A CB -1.083 17.716 19.000 -0.336 0.000 0.834 876 A HN 0.742 nan 8.150 nan 0.000 0.447 877 H N -0.506 118.583 119.070 0.031 0.000 3.268 877 H HA 0.455 5.014 4.556 0.004 0.000 0.213 877 H C -0.842 174.490 175.328 0.006 0.000 1.858 877 H CA 0.260 56.307 56.048 -0.002 0.000 1.386 877 H CB -0.783 28.951 29.762 -0.047 0.000 1.734 877 H HN 0.314 nan 8.280 nan 0.000 0.612 878 I N 1.599 122.250 120.570 0.134 0.000 2.827 878 I HA 0.184 4.357 4.170 0.004 0.000 0.298 878 I C -0.801 175.439 176.117 0.204 0.000 1.235 878 I CA -0.747 60.638 61.300 0.142 0.000 1.021 878 I CB 2.840 40.920 38.000 0.134 0.000 1.259 878 I HN 0.319 nan 8.210 nan 0.000 0.427 879 E N 4.026 124.343 120.200 0.194 0.000 2.375 879 E HA 0.313 4.665 4.350 0.004 0.000 0.280 879 E C -1.689 175.007 176.600 0.159 0.000 0.972 879 E CA -1.279 55.248 56.400 0.213 0.000 0.782 879 E CB 1.928 31.812 29.700 0.305 0.000 1.229 879 E HN 0.518 nan 8.360 nan 0.000 0.439 880 K N 2.056 122.523 120.400 0.110 0.000 2.315 880 K HA 0.142 4.464 4.320 0.004 0.000 0.291 880 K C -0.596 176.033 176.600 0.047 0.000 1.074 880 K CA -0.286 56.036 56.287 0.058 0.000 0.936 880 K CB 0.321 32.791 32.500 -0.050 0.000 1.049 880 K HN 0.528 nan 8.250 nan 0.000 0.471 881 Q N 1.935 121.784 119.800 0.081 0.000 2.337 881 Q HA 0.258 4.600 4.340 0.004 0.000 0.266 881 Q C -0.762 175.275 176.000 0.062 0.000 1.023 881 Q CA -1.045 54.804 55.803 0.077 0.000 0.829 881 Q CB 1.669 30.477 28.738 0.117 0.000 1.306 881 Q HN 0.714 nan 8.270 nan 0.000 0.449 882 S N 2.322 118.044 115.700 0.036 0.000 2.576 882 S HA 0.279 4.751 4.470 0.004 0.000 0.276 882 S C 0.105 174.744 174.600 0.065 0.000 1.339 882 S CA -0.679 57.533 58.200 0.020 0.000 1.039 882 S CB 0.189 63.390 63.200 0.002 0.000 0.902 882 S HN 0.593 nan 8.310 nan 0.000 0.516 883 L N 2.421 123.683 121.223 0.067 0.000 2.397 883 L HA 0.282 4.625 4.340 0.004 0.000 0.263 883 L C -0.507 176.420 176.870 0.095 0.000 1.136 883 L CA -0.769 54.123 54.840 0.087 0.000 1.019 883 L CB -0.546 41.564 42.059 0.085 0.000 1.352 883 L HN 0.651 nan 8.230 nan 0.000 0.420 884 D N -0.010 120.460 120.400 0.117 0.000 2.598 884 D HA 0.026 4.669 4.640 0.004 0.000 0.231 884 D C 0.801 177.216 176.300 0.191 0.000 1.127 884 D CA -0.081 54.009 54.000 0.149 0.000 1.126 884 D CB -0.006 40.887 40.800 0.156 0.000 1.124 884 D HN 0.399 nan 8.370 nan 0.000 0.485 885 T N -1.387 113.257 114.554 0.149 0.000 3.028 885 T HA 0.139 4.491 4.350 0.004 0.000 0.262 885 T C 1.497 176.283 174.700 0.145 0.000 0.916 885 T CA -0.230 61.958 62.100 0.147 0.000 0.873 885 T CB 0.442 69.345 68.868 0.059 0.000 1.232 885 T HN 0.155 nan 8.240 nan 0.000 0.529 886 I N 1.770 122.418 120.570 0.129 0.000 2.956 886 I HA 0.270 4.442 4.170 0.004 0.000 0.233 886 I C 1.667 177.894 176.117 0.184 0.000 1.054 886 I CA 0.573 61.952 61.300 0.131 0.000 1.456 886 I CB -1.392 36.658 38.000 0.083 0.000 1.297 886 I HN 0.226 nan 8.210 nan 0.000 0.448 887 G N 0.955 109.841 108.800 0.143 0.000 2.334 887 G HA2 0.439 4.401 3.960 0.004 0.000 0.261 887 G HA3 0.439 4.401 3.960 0.004 0.000 0.261 887 G C 0.019 175.022 174.900 0.172 0.000 1.257 887 G CA 0.489 45.695 45.100 0.177 0.000 0.935 887 G HN 0.711 nan 8.290 nan 0.000 0.480 888 G N 0.661 109.570 108.800 0.180 0.000 2.376 888 G HA2 0.429 4.392 3.960 0.004 0.000 0.302 888 G HA3 0.429 4.392 3.960 0.004 0.000 0.302 888 G C -0.422 174.561 174.900 0.138 0.000 1.586 888 G CA -0.700 44.499 45.100 0.166 0.000 0.907 888 G HN 0.849 nan 8.290 nan 0.000 0.655 889 S N 0.720 116.494 115.700 0.124 0.000 2.549 889 S HA 0.178 4.651 4.470 0.004 0.000 0.283 889 S C 1.058 175.725 174.600 0.112 0.000 1.320 889 S CA -0.327 57.929 58.200 0.092 0.000 1.058 889 S CB 1.307 64.556 63.200 0.082 0.000 0.882 889 S HN 0.580 nan 8.310 nan 0.000 0.498 890 D N 2.133 122.564 120.400 0.052 0.000 2.239 890 D HA -0.174 4.469 4.640 0.004 0.000 0.202 890 D C 1.769 178.139 176.300 0.116 0.000 0.993 890 D CA 1.603 55.625 54.000 0.036 0.000 0.874 890 D CB -0.048 40.749 40.800 -0.005 0.000 0.922 890 D HN 0.626 nan 8.370 nan 0.000 0.464 891 A N 0.695 123.587 122.820 0.121 0.000 1.887 891 A HA 0.279 4.602 4.320 0.004 0.000 0.210 891 A C 2.272 179.964 177.584 0.180 0.000 1.221 891 A CA 1.134 53.256 52.037 0.141 0.000 0.635 891 A CB -0.632 18.422 19.000 0.090 0.000 0.881 891 A HN 0.157 nan 8.150 nan 0.000 0.456 892 A N -1.031 121.881 122.820 0.153 0.000 2.093 892 A HA -0.151 4.171 4.320 0.004 0.000 0.222 892 A C 1.918 179.626 177.584 0.207 0.000 1.162 892 A CA 1.696 53.819 52.037 0.143 0.000 0.655 892 A CB -0.818 18.247 19.000 0.110 0.000 0.805 892 A HN 0.742 nan 8.150 nan 0.000 0.461 893 F N 0.328 120.360 119.950 0.137 0.000 2.163 893 F HA -0.065 4.464 4.527 0.004 0.000 0.297 893 F C 2.095 178.067 175.800 0.287 0.000 1.094 893 F CA 1.876 60.005 58.000 0.216 0.000 1.290 893 F CB -0.228 38.857 39.000 0.142 0.000 1.017 893 F HN 0.379 nan 8.300 nan 0.000 0.483 894 E N 0.652 121.110 120.200 0.430 0.000 2.033 894 E HA -0.326 4.027 4.350 0.004 0.000 0.199 894 E C 2.103 178.776 176.600 0.122 0.000 1.011 894 E CA 1.884 58.468 56.400 0.308 0.000 0.815 894 E CB -0.169 29.674 29.700 0.239 0.000 0.755 894 E HN 0.163 nan 8.360 nan 0.000 0.451 895 K N -0.033 120.425 120.400 0.097 0.000 2.228 895 K HA -0.150 4.173 4.320 0.004 0.000 0.205 895 K C 2.058 178.619 176.600 -0.065 0.000 1.045 895 K CA 1.296 57.601 56.287 0.030 0.000 0.931 895 K CB 0.065 32.581 32.500 0.026 0.000 0.727 895 K HN 0.051 nan 8.250 nan 0.000 0.458 896 R N -1.862 118.557 120.500 -0.135 0.000 2.123 896 R HA 0.094 4.436 4.340 0.004 0.000 0.209 896 R C 1.258 177.188 176.300 -0.615 0.000 1.078 896 R CA 1.063 56.916 56.100 -0.411 0.000 1.028 896 R CB 0.183 30.169 30.300 -0.523 0.000 0.939 896 R HN 0.284 nan 8.270 nan 0.000 0.463 897 Y N -0.627 119.541 120.300 -0.219 0.000 2.445 897 Y HA 0.277 4.830 4.550 0.004 0.000 0.247 897 Y C 0.572 176.502 175.900 0.050 0.000 1.129 897 Y CA -0.564 57.459 58.100 -0.128 0.000 1.251 897 Y CB 0.416 38.697 38.460 -0.299 0.000 1.176 897 Y HN -0.257 nan 8.280 nan 0.000 0.522 898 R N 1.554 122.121 120.500 0.112 0.000 2.216 898 R HA 0.441 4.783 4.340 0.004 0.000 0.332 898 R C -1.446 174.804 176.300 -0.082 0.000 1.056 898 R CA -0.370 55.671 56.100 -0.099 0.000 0.901 898 R CB 0.191 30.330 30.300 -0.269 0.000 1.039 898 R HN -0.074 nan 8.270 nan 0.000 0.456 899 V N 5.033 124.898 119.914 -0.082 0.000 2.357 899 V HA 0.235 4.357 4.120 0.004 0.000 0.284 899 V C -0.537 175.512 176.094 -0.075 0.000 1.018 899 V CA -0.602 61.667 62.300 -0.052 0.000 0.841 899 V CB 1.527 33.335 31.823 -0.025 0.000 0.991 899 V HN 0.682 nan 8.190 nan 0.000 0.437 900 D N 4.710 125.083 120.400 -0.044 0.000 2.485 900 D HA 0.335 4.977 4.640 0.004 0.000 0.256 900 D C 1.178 177.470 176.300 -0.013 0.000 1.141 900 D CA -0.200 53.773 54.000 -0.045 0.000 0.942 900 D CB 0.896 41.661 40.800 -0.057 0.000 1.003 900 D HN 0.393 nan 8.370 nan 0.000 0.507 901 L N 1.413 122.623 121.223 -0.022 0.000 1.991 901 L HA -0.263 4.079 4.340 0.004 0.000 0.221 901 L C 1.496 178.359 176.870 -0.011 0.000 1.079 901 L CA 1.284 56.114 54.840 -0.016 0.000 0.778 901 L CB -0.480 41.568 42.059 -0.019 0.000 0.893 901 L HN 0.424 nan 8.230 nan 0.000 0.437 902 L N -1.073 120.142 121.223 -0.014 0.000 2.801 902 L HA 0.222 4.564 4.340 0.004 0.000 0.250 902 L C 0.024 176.892 176.870 -0.003 0.000 1.222 902 L CA 0.487 55.321 54.840 -0.011 0.000 1.054 902 L CB -1.231 40.820 42.059 -0.014 0.000 1.330 902 L HN 0.167 nan 8.230 nan 0.000 0.426 903 N N -0.972 117.733 118.700 0.008 0.000 2.533 903 N HA 0.180 4.923 4.740 0.004 0.000 0.289 903 N C 0.736 176.267 175.510 0.034 0.000 1.103 903 N CA -0.124 52.945 53.050 0.032 0.000 0.877 903 N CB 1.438 39.960 38.487 0.058 0.000 1.419 903 N HN 0.051 nan 8.380 nan 0.000 0.517 904 T N 0.451 115.015 114.554 0.016 0.000 2.918 904 T HA -0.103 4.249 4.350 0.004 0.000 0.271 904 T C 0.343 175.027 174.700 -0.028 0.000 1.104 904 T CA 1.253 63.349 62.100 -0.006 0.000 1.114 904 T CB 0.087 68.950 68.868 -0.010 0.000 0.855 904 T HN 0.490 nan 8.240 nan 0.000 0.518 905 D N -0.107 120.279 120.400 -0.023 0.000 2.423 905 D HA 0.088 4.730 4.640 0.004 0.000 0.212 905 D C 0.954 177.057 176.300 -0.328 0.000 1.060 905 D CA 0.606 54.513 54.000 -0.154 0.000 0.872 905 D CB 0.116 40.821 40.800 -0.159 0.000 1.012 905 D HN 0.501 nan 8.370 nan 0.000 0.503 906 H N -0.790 118.254 119.070 -0.043 0.000 2.785 906 H HA 0.256 4.815 4.556 0.004 0.000 0.268 906 H C 0.263 175.556 175.328 -0.059 0.000 1.153 906 H CA -0.080 55.935 56.048 -0.054 0.000 1.111 906 H CB 0.557 30.280 29.762 -0.065 0.000 1.633 906 H HN -0.166 nan 8.280 nan 0.000 0.576 907 T N 1.941 116.512 114.554 0.027 0.000 2.698 907 T HA 0.233 4.585 4.350 0.004 0.000 0.295 907 T C 0.484 175.170 174.700 -0.023 0.000 1.007 907 T CA -0.565 61.533 62.100 -0.003 0.000 0.980 907 T CB 0.596 69.456 68.868 -0.012 0.000 1.036 907 T HN 0.226 nan 8.240 nan 0.000 0.526 908 L N 0.031 121.237 121.223 -0.029 0.000 2.296 908 L HA 0.612 4.954 4.340 0.004 0.000 0.286 908 L C -0.315 176.534 176.870 -0.035 0.000 1.023 908 L CA -1.163 53.655 54.840 -0.037 0.000 0.812 908 L CB 0.765 42.801 42.059 -0.038 0.000 1.223 908 L HN 0.399 nan 8.230 nan 0.000 0.421 909 D N 4.860 125.238 120.400 -0.038 0.000 2.583 909 D HA 0.055 4.697 4.640 0.004 0.000 0.232 909 D C -1.499 174.784 176.300 -0.028 0.000 1.128 909 D CA -0.939 53.041 54.000 -0.034 0.000 0.859 909 D CB 1.260 42.039 40.800 -0.034 0.000 1.169 909 D HN 0.422 nan 8.370 nan 0.000 0.481 910 P HA -0.187 nan 4.420 nan 0.000 0.219 910 P C 0.770 178.058 177.300 -0.020 0.000 1.145 910 P CA 1.276 64.363 63.100 -0.022 0.000 0.813 910 P CB -0.018 31.670 31.700 -0.020 0.000 0.771 911 S N -2.286 113.402 115.700 -0.019 0.000 2.650 911 S HA 0.082 4.555 4.470 0.004 0.000 0.219 911 S C 1.214 175.807 174.600 -0.013 0.000 0.960 911 S CA 0.230 58.421 58.200 -0.014 0.000 0.925 911 S CB -0.973 62.220 63.200 -0.012 0.000 0.775 911 S HN 0.140 nan 8.310 nan 0.000 0.525 912 L N 0.196 121.408 121.223 -0.019 0.000 2.858 912 L HA 0.559 4.901 4.340 0.004 0.000 0.251 912 L C -0.492 176.363 176.870 -0.026 0.000 1.149 912 L CA -0.140 54.688 54.840 -0.020 0.000 0.955 912 L CB 0.878 42.922 42.059 -0.026 0.000 1.289 912 L HN 0.294 nan 8.230 nan 0.000 0.542 913 L N -1.240 119.967 121.223 -0.027 0.000 2.643 913 L HA 0.247 4.590 4.340 0.004 0.000 0.256 913 L C 0.583 177.436 176.870 -0.028 0.000 0.931 913 L CA -0.137 54.684 54.840 -0.032 0.000 0.895 913 L CB 1.851 43.887 42.059 -0.038 0.000 1.430 913 L HN -0.133 nan 8.230 nan 0.000 0.419 914 E N 0.612 120.794 120.200 -0.030 0.000 2.219 914 E HA -0.131 4.221 4.350 0.004 0.000 0.198 914 E C 1.123 177.708 176.600 -0.025 0.000 0.998 914 E CA 2.100 58.484 56.400 -0.026 0.000 0.818 914 E CB 0.372 30.055 29.700 -0.028 0.000 0.741 914 E HN 0.761 nan 8.360 nan 0.000 0.477 915 S N -1.185 114.498 115.700 -0.028 0.000 2.309 915 S HA 0.185 4.657 4.470 0.004 0.000 0.206 915 S C 1.674 176.260 174.600 -0.024 0.000 1.028 915 S CA 0.622 58.806 58.200 -0.026 0.000 0.972 915 S CB -0.981 62.201 63.200 -0.030 0.000 0.961 915 S HN 0.579 nan 8.310 nan 0.000 0.449 916 G N 1.730 110.514 108.800 -0.026 0.000 2.815 916 G HA2 -0.373 3.590 3.960 0.004 0.000 0.326 916 G HA3 -0.373 3.590 3.960 0.004 0.000 0.326 916 G C 0.628 175.515 174.900 -0.022 0.000 1.191 916 G CA 0.894 45.980 45.100 -0.024 0.000 0.965 916 G HN 1.123 nan 8.290 nan 0.000 0.564 917 S N 1.517 117.206 115.700 -0.020 0.000 2.625 917 S HA 0.424 4.897 4.470 0.004 0.000 0.258 917 S C 1.136 175.726 174.600 -0.017 0.000 1.256 917 S CA 1.450 59.639 58.200 -0.018 0.000 0.983 917 S CB 0.965 64.156 63.200 -0.016 0.000 1.032 917 S HN 2.536 nan 8.310 nan 0.000 0.572 918 E N -1.897 118.294 120.200 -0.015 0.000 3.146 918 E HA -0.241 4.112 4.350 0.004 0.000 0.277 918 E C 0.214 176.804 176.600 -0.016 0.000 1.003 918 E CA 1.718 58.109 56.400 -0.014 0.000 0.861 918 E CB -1.805 27.887 29.700 -0.014 0.000 1.436 918 E HN 0.494 nan 8.360 nan 0.000 0.455 919 I N -0.678 119.882 120.570 -0.017 0.000 4.607 919 I HA 0.300 4.472 4.170 0.004 0.000 0.324 919 I C 1.243 177.350 176.117 -0.017 0.000 1.279 919 I CA -0.407 60.882 61.300 -0.018 0.000 1.286 919 I CB -0.160 37.827 38.000 -0.022 0.000 1.265 919 I HN 0.320 nan 8.210 nan 0.000 0.446 920 L N 2.036 123.249 121.223 -0.016 0.000 2.559 920 L HA 0.262 4.604 4.340 0.004 0.000 0.282 920 L C 1.146 178.009 176.870 -0.012 0.000 1.232 920 L CA 1.311 56.142 54.840 -0.014 0.000 0.885 920 L CB -0.238 41.813 42.059 -0.014 0.000 1.131 920 L HN 0.565 nan 8.230 nan 0.000 0.498 921 G N 3.764 112.557 108.800 -0.012 0.000 2.542 921 G HA2 -0.249 3.713 3.960 0.004 0.000 0.235 921 G HA3 -0.249 3.713 3.960 0.004 0.000 0.235 921 G C -0.415 174.478 174.900 -0.012 0.000 1.286 921 G CA -0.075 45.019 45.100 -0.011 0.000 0.904 921 G HN 1.169 nan 8.290 nan 0.000 0.577 922 D N -1.644 118.750 120.400 -0.011 0.000 4.874 922 D HA -0.102 4.541 4.640 0.004 0.000 0.228 922 D C 0.934 177.227 176.300 -0.010 0.000 1.423 922 D CA 1.126 55.119 54.000 -0.011 0.000 1.130 922 D CB -1.159 39.634 40.800 -0.012 0.000 0.564 922 D HN 1.118 nan 8.370 nan 0.000 0.272 923 L N 3.329 124.546 121.223 -0.009 0.000 2.567 923 L HA 0.171 4.513 4.340 0.004 0.000 0.225 923 L C 2.455 179.321 176.870 -0.007 0.000 1.119 923 L CA -0.055 54.781 54.840 -0.008 0.000 0.871 923 L CB -0.033 42.022 42.059 -0.007 0.000 1.036 923 L HN 0.179 nan 8.230 nan 0.000 0.459 924 K N 0.403 120.799 120.400 -0.007 0.000 2.166 924 K HA 0.111 4.433 4.320 0.004 0.000 0.201 924 K C 1.979 178.576 176.600 -0.006 0.000 1.052 924 K CA 0.743 57.026 56.287 -0.006 0.000 0.969 924 K CB 0.198 32.694 32.500 -0.007 0.000 0.761 924 K HN 0.237 nan 8.250 nan 0.000 0.459 925 L N 0.690 121.908 121.223 -0.008 0.000 2.131 925 L HA -0.067 4.276 4.340 0.004 0.000 0.206 925 L C 2.070 178.936 176.870 -0.006 0.000 1.087 925 L CA 0.642 55.477 54.840 -0.009 0.000 0.767 925 L CB -0.146 41.905 42.059 -0.013 0.000 0.917 925 L HN 0.144 nan 8.230 nan 0.000 0.441 926 Q N -0.077 119.718 119.800 -0.008 0.000 2.541 926 Q HA -0.064 4.279 4.340 0.004 0.000 0.215 926 Q C 1.919 177.918 176.000 -0.001 0.000 0.977 926 Q CA 0.615 56.413 55.803 -0.008 0.000 0.934 926 Q CB 0.166 28.895 28.738 -0.014 0.000 0.988 926 Q HN 0.366 nan 8.270 nan 0.000 0.521 927 V N -0.410 119.505 119.914 0.002 0.000 2.500 927 V HA -0.133 3.989 4.120 0.004 0.000 0.243 927 V C 2.070 178.171 176.094 0.013 0.000 1.039 927 V CA 0.864 63.167 62.300 0.006 0.000 1.053 927 V CB -0.122 31.703 31.823 0.003 0.000 0.695 927 V HN 0.270 nan 8.190 nan 0.000 0.463 928 L N -0.765 120.464 121.223 0.010 0.000 2.131 928 L HA -0.039 4.303 4.340 0.004 0.000 0.206 928 L C 2.336 179.222 176.870 0.026 0.000 1.087 928 L CA 0.694 55.542 54.840 0.014 0.000 0.767 928 L CB -0.411 41.652 42.059 0.006 0.000 0.917 928 L HN 0.276 nan 8.230 nan 0.000 0.441 929 L N -0.000 121.237 121.223 0.023 0.000 2.201 929 L HA -0.174 4.168 4.340 0.004 0.000 0.212 929 L C 1.950 178.858 176.870 0.063 0.000 1.105 929 L CA 1.753 56.614 54.840 0.035 0.000 0.775 929 L CB -0.864 41.201 42.059 0.010 0.000 0.913 929 L HN 0.257 nan 8.230 nan 0.000 0.440 930 D N -0.376 120.054 120.400 0.050 0.000 2.103 930 D HA -0.193 4.450 4.640 0.004 0.000 0.199 930 D C 2.019 178.381 176.300 0.104 0.000 0.978 930 D CA 0.897 54.944 54.000 0.078 0.000 0.829 930 D CB 0.205 41.032 40.800 0.045 0.000 0.981 930 D HN 0.192 nan 8.370 nan 0.000 0.464 931 E N 1.185 121.423 120.200 0.063 0.000 2.130 931 E HA -0.210 4.142 4.350 0.004 0.000 0.196 931 E C 1.811 178.445 176.600 0.056 0.000 0.998 931 E CA 1.262 57.691 56.400 0.048 0.000 0.806 931 E CB -0.115 29.600 29.700 0.026 0.000 0.738 931 E HN 0.367 nan 8.360 nan 0.000 0.459 932 E N -1.204 119.040 120.200 0.075 0.000 2.017 932 E HA -0.226 4.127 4.350 0.004 0.000 0.193 932 E C 1.994 178.661 176.600 0.113 0.000 0.997 932 E CA 1.182 57.631 56.400 0.081 0.000 0.804 932 E CB -0.409 29.347 29.700 0.093 0.000 0.757 932 E HN 0.453 nan 8.360 nan 0.000 0.448 933 Y N 1.385 121.708 120.300 0.038 0.000 2.333 933 Y HA -0.155 4.397 4.550 0.004 0.000 0.290 933 Y C 2.259 178.199 175.900 0.066 0.000 1.144 933 Y CA 1.759 59.897 58.100 0.064 0.000 1.228 933 Y CB 0.079 38.578 38.460 0.065 0.000 0.985 933 Y HN -0.056 nan 8.280 nan 0.000 0.542 934 K N -0.363 120.106 120.400 0.115 0.000 2.103 934 K HA -0.228 4.095 4.320 0.004 0.000 0.204 934 K C 2.129 178.707 176.600 -0.037 0.000 1.052 934 K CA 1.442 57.751 56.287 0.038 0.000 0.945 934 K CB -0.045 32.489 32.500 0.058 0.000 0.722 934 K HN 0.258 nan 8.250 nan 0.000 0.443 935 Q N 0.871 120.652 119.800 -0.030 0.000 2.187 935 Q HA -0.018 4.325 4.340 0.004 0.000 0.199 935 Q C 1.798 177.747 176.000 -0.084 0.000 0.957 935 Q CA 1.181 56.951 55.803 -0.055 0.000 0.857 935 Q CB -0.002 28.711 28.738 -0.042 0.000 0.929 935 Q HN 0.326 nan 8.270 nan 0.000 0.453 936 L N -0.845 120.318 121.223 -0.100 0.000 2.027 936 L HA -0.111 4.231 4.340 0.004 0.000 0.206 936 L C 2.238 179.036 176.870 -0.121 0.000 1.074 936 L CA 1.063 55.833 54.840 -0.116 0.000 0.745 936 L CB -0.802 41.168 42.059 -0.149 0.000 0.898 936 L HN 0.094 nan 8.230 nan 0.000 0.433 937 V N 0.289 120.069 119.914 -0.223 0.000 2.407 937 V HA -0.293 3.829 4.120 0.004 0.000 0.248 937 V C 2.571 178.556 176.094 -0.182 0.000 1.055 937 V CA 1.722 63.853 62.300 -0.283 0.000 1.049 937 V CB -0.631 30.995 31.823 -0.328 0.000 0.662 937 V HN 0.448 nan 8.190 nan 0.000 0.455 938 K N -0.254 120.074 120.400 -0.120 0.000 2.280 938 K HA -0.224 4.098 4.320 0.004 0.000 0.202 938 K C 1.621 178.197 176.600 -0.040 0.000 1.047 938 K CA 1.654 57.900 56.287 -0.070 0.000 0.942 938 K CB -0.108 32.355 32.500 -0.061 0.000 0.739 938 K HN 0.476 nan 8.250 nan 0.000 0.457 939 D N 0.053 120.417 120.400 -0.059 0.000 2.120 939 D HA -0.105 4.537 4.640 0.004 0.000 0.202 939 D C 1.878 178.203 176.300 0.040 0.000 0.972 939 D CA 0.794 54.789 54.000 -0.008 0.000 0.837 939 D CB -0.066 40.708 40.800 -0.044 0.000 0.989 939 D HN 0.158 nan 8.370 nan 0.000 0.469 940 R N 0.910 121.370 120.500 -0.067 0.000 2.103 940 R HA -0.153 4.189 4.340 0.004 0.000 0.242 940 R C 2.030 178.299 176.300 -0.052 0.000 1.142 940 R CA 1.532 57.566 56.100 -0.110 0.000 0.960 940 R CB 0.029 30.108 30.300 -0.367 0.000 0.858 940 R HN 0.026 nan 8.270 nan 0.000 0.439 941 K N -0.706 119.662 120.400 -0.052 0.000 2.155 941 K HA -0.143 4.179 4.320 0.004 0.000 0.203 941 K C 1.844 178.455 176.600 0.018 0.000 1.052 941 K CA 1.144 57.413 56.287 -0.030 0.000 0.948 941 K CB -0.123 32.350 32.500 -0.044 0.000 0.728 941 K HN 0.203 nan 8.250 nan 0.000 0.448 942 F N 1.238 121.147 119.950 -0.069 0.000 2.186 942 F HA -0.101 4.429 4.527 0.004 0.000 0.299 942 F C 1.490 177.258 175.800 -0.054 0.000 1.090 942 F CA 1.030 58.991 58.000 -0.065 0.000 1.307 942 F CB 0.083 39.043 39.000 -0.065 0.000 1.019 942 F HN -0.074 nan 8.300 nan 0.000 0.489 943 L N 0.140 121.435 121.223 0.119 0.000 2.044 943 L HA -0.093 4.249 4.340 0.004 0.000 0.205 943 L C 2.445 179.309 176.870 -0.009 0.000 1.075 943 L CA 1.016 55.902 54.840 0.077 0.000 0.747 943 L CB -0.674 41.521 42.059 0.228 0.000 0.903 943 L HN -0.079 nan 8.230 nan 0.000 0.435 944 R N -0.130 120.383 120.500 0.022 0.000 2.397 944 R HA -0.194 4.148 4.340 0.004 0.000 0.213 944 R C 1.733 178.004 176.300 -0.050 0.000 1.102 944 R CA 0.932 57.059 56.100 0.046 0.000 1.040 944 R CB -0.093 30.252 30.300 0.075 0.000 0.844 944 R HN 0.490 nan 8.270 nan 0.000 0.478 945 E N -0.635 119.450 120.200 -0.192 0.000 2.330 945 E HA -0.006 4.346 4.350 0.004 0.000 0.200 945 E C 1.520 177.880 176.600 -0.399 0.000 0.922 945 E CA 0.000 56.237 56.400 -0.272 0.000 0.935 945 E CB 0.546 30.059 29.700 -0.312 0.000 0.917 945 E HN -0.001 nan 8.360 nan 0.000 0.491 946 V N 0.673 120.237 119.914 -0.584 0.000 2.251 946 V HA -0.088 4.034 4.120 0.004 0.000 0.237 946 V C 0.644 176.341 176.094 -0.662 0.000 1.040 946 V CA 1.230 63.080 62.300 -0.750 0.000 1.005 946 V CB -0.286 30.923 31.823 -1.024 0.000 0.645 946 V HN 0.168 nan 8.190 nan 0.000 0.458 947 F N 0.607 120.365 119.950 -0.319 0.000 2.619 947 F HA 0.232 4.761 4.527 0.004 0.000 0.350 947 F C 1.144 176.868 175.800 -0.126 0.000 1.259 947 F CA -0.218 57.638 58.000 -0.239 0.000 1.204 947 F CB -0.064 38.804 39.000 -0.219 0.000 1.556 947 F HN -0.131 nan 8.300 nan 0.000 0.650 948 V N 0.749 120.657 119.914 -0.009 0.000 2.759 948 V HA -0.253 3.870 4.120 0.004 0.000 0.256 948 V C 1.523 177.643 176.094 0.043 0.000 1.080 948 V CA 1.433 63.742 62.300 0.015 0.000 1.101 948 V CB -0.557 31.247 31.823 -0.032 0.000 0.698 948 V HN 0.537 nan 8.190 nan 0.000 0.477 949 D N 1.335 121.767 120.400 0.053 0.000 2.149 949 D HA -0.106 4.537 4.640 0.004 0.000 0.194 949 D C 1.980 178.176 176.300 -0.173 0.000 1.001 949 D CA 2.008 56.018 54.000 0.016 0.000 0.849 949 D CB -0.483 40.401 40.800 0.141 0.000 0.939 949 D HN 0.568 nan 8.370 nan 0.000 0.449 950 G N 0.077 108.681 108.800 -0.326 0.000 2.157 950 G HA2 -0.295 3.668 3.960 0.004 0.000 0.239 950 G HA3 -0.295 3.668 3.960 0.004 0.000 0.239 950 G C 0.098 174.767 174.900 -0.385 0.000 0.982 950 G CA 0.311 44.887 45.100 -0.874 0.000 0.650 950 G HN 0.437 nan 8.290 nan 0.000 0.527 951 E N 0.538 120.676 120.200 -0.103 0.000 2.229 951 E HA 0.776 5.129 4.350 0.004 0.000 0.283 951 E C 1.123 177.742 176.600 0.032 0.000 1.030 951 E CA 0.576 56.939 56.400 -0.061 0.000 0.836 951 E CB 0.986 30.646 29.700 -0.067 0.000 1.068 951 E HN 0.552 nan 8.360 nan 0.000 0.401 952 A N 4.437 127.184 122.820 -0.122 0.000 1.924 952 A HA 0.060 4.382 4.320 0.004 0.000 0.211 952 A C 0.274 177.773 177.584 -0.141 0.000 1.198 952 A CA 0.151 52.152 52.037 -0.060 0.000 0.657 952 A CB -0.342 18.631 19.000 -0.045 0.000 0.852 952 A HN 0.678 nan 8.150 nan 0.000 0.454 953 N N 0.285 118.756 118.700 -0.382 0.000 2.400 953 N HA 0.327 5.069 4.740 0.004 0.000 0.267 953 N C -1.398 173.697 175.510 -0.692 0.000 1.208 953 N CA 0.475 53.294 53.050 -0.385 0.000 0.951 953 N CB -0.101 38.190 38.487 -0.328 0.000 1.227 953 N HN 0.534 nan 8.380 nan 0.000 0.488 954 W N 2.186 123.386 121.300 -0.166 0.000 2.915 954 W HA 0.372 5.034 4.660 0.004 0.000 0.337 954 W C -2.285 174.226 176.519 -0.014 0.000 1.102 954 W CA -2.345 54.917 57.345 -0.138 0.000 1.224 954 W CB 1.450 30.736 29.460 -0.290 0.000 1.416 954 W HN 0.275 nan 8.180 nan 0.000 0.503 955 P HA 0.074 nan 4.420 nan 0.000 0.259 955 P C -0.768 176.670 177.300 0.230 0.000 1.211 955 P CA 0.769 64.011 63.100 0.236 0.000 0.810 955 P CB 0.174 32.044 31.700 0.282 0.000 0.815 956 L N 6.337 127.683 121.223 0.204 0.000 2.422 956 L HA 0.523 4.865 4.340 0.004 0.000 0.264 956 L C -2.369 174.590 176.870 0.147 0.000 0.984 956 L CA -2.838 52.123 54.840 0.202 0.000 0.819 956 L CB 2.780 45.017 42.059 0.296 0.000 1.330 956 L HN 0.089 nan 8.230 nan 0.000 0.410 957 P HA 0.104 nan 4.420 nan 0.000 0.271 957 P C -0.914 176.398 177.300 0.020 0.000 1.233 957 P CA -0.073 62.974 63.100 -0.087 0.000 0.789 957 P CB 0.434 31.902 31.700 -0.386 0.000 0.951 958 V N -0.762 119.174 119.914 0.037 0.000 3.796 958 V HA -0.228 3.895 4.120 0.004 0.000 0.495 958 V C 0.446 176.653 176.094 0.189 0.000 0.682 958 V CA 0.180 62.559 62.300 0.133 0.000 1.997 958 V CB -1.563 30.405 31.823 0.242 0.000 2.406 958 V HN 0.787 nan 8.190 nan 0.000 0.506 959 N N 4.185 122.958 118.700 0.122 0.000 2.442 959 N HA 0.339 5.081 4.740 0.004 0.000 0.265 959 N C 0.700 176.272 175.510 0.104 0.000 1.138 959 N CA 0.019 53.140 53.050 0.118 0.000 0.956 959 N CB 0.989 39.529 38.487 0.087 0.000 1.067 959 N HN 0.673 nan 8.380 nan 0.000 0.474 960 I N 2.747 123.384 120.570 0.111 0.000 3.265 960 I HA 0.042 4.214 4.170 0.004 0.000 0.282 960 I C 2.108 178.256 176.117 0.051 0.000 1.207 960 I CA -0.057 61.285 61.300 0.071 0.000 1.449 960 I CB 0.032 38.077 38.000 0.074 0.000 1.121 960 I HN 0.457 nan 8.210 nan 0.000 0.442 961 R N 1.362 121.913 120.500 0.085 0.000 2.117 961 R HA -0.148 4.194 4.340 0.004 0.000 0.243 961 R C 2.227 178.571 176.300 0.073 0.000 1.143 961 R CA 1.769 57.923 56.100 0.091 0.000 0.968 961 R CB -0.111 30.254 30.300 0.109 0.000 0.863 961 R HN 0.229 nan 8.270 nan 0.000 0.444 962 R N -0.855 119.693 120.500 0.079 0.000 2.173 962 R HA 0.152 4.494 4.340 0.004 0.000 0.208 962 R C 2.138 178.500 176.300 0.102 0.000 1.035 962 R CA 0.808 56.966 56.100 0.097 0.000 1.004 962 R CB 0.054 30.415 30.300 0.101 0.000 0.917 962 R HN 0.264 nan 8.270 nan 0.000 0.462 963 I N 0.770 121.380 120.570 0.067 0.000 2.493 963 I HA -0.228 3.945 4.170 0.004 0.000 0.254 963 I C 1.807 177.995 176.117 0.118 0.000 1.160 963 I CA 0.783 62.124 61.300 0.069 0.000 1.445 963 I CB -0.040 37.936 38.000 -0.040 0.000 1.086 963 I HN 0.110 nan 8.210 nan 0.000 0.433 964 I N 0.567 121.136 120.570 -0.002 0.000 2.193 964 I HA -0.243 3.930 4.170 0.004 0.000 0.240 964 I C 2.504 178.615 176.117 -0.010 0.000 1.084 964 I CA 1.545 62.786 61.300 -0.098 0.000 1.365 964 I CB -1.230 36.540 38.000 -0.383 0.000 1.064 964 I HN 0.282 nan 8.210 nan 0.000 0.410 965 Q N 0.352 120.146 119.800 -0.010 0.000 2.135 965 Q HA -0.187 4.155 4.340 0.004 0.000 0.204 965 Q C 1.748 177.684 176.000 -0.107 0.000 0.981 965 Q CA 1.249 56.992 55.803 -0.099 0.000 0.856 965 Q CB -0.129 28.519 28.738 -0.151 0.000 0.902 965 Q HN 0.451 nan 8.270 nan 0.000 0.425 966 N N -0.559 118.196 118.700 0.091 0.000 2.550 966 N HA -0.040 4.702 4.740 0.004 0.000 0.186 966 N C 0.896 176.446 175.510 0.067 0.000 1.110 966 N CA 0.841 54.002 53.050 0.185 0.000 0.912 966 N CB 0.246 38.966 38.487 0.387 0.000 0.968 966 N HN 0.241 nan 8.380 nan 0.000 0.448 967 A N 1.209 124.104 122.820 0.125 0.000 1.884 967 A HA -0.069 4.254 4.320 0.004 0.000 0.212 967 A C 1.851 179.456 177.584 0.035 0.000 1.265 967 A CA 0.414 52.508 52.037 0.096 0.000 0.626 967 A CB -0.533 18.655 19.000 0.315 0.000 0.943 967 A HN 0.375 nan 8.150 nan 0.000 0.466 968 Q N -0.017 119.793 119.800 0.017 0.000 2.541 968 Q HA -0.139 4.203 4.340 0.004 0.000 0.215 968 Q C 1.389 177.322 176.000 -0.111 0.000 0.977 968 Q CA 1.474 57.267 55.803 -0.016 0.000 0.934 968 Q CB -0.224 28.526 28.738 0.020 0.000 0.988 968 Q HN 0.772 nan 8.270 nan 0.000 0.521 969 Q N -0.754 118.925 119.800 -0.201 0.000 2.280 969 Q HA 0.156 4.498 4.340 0.004 0.000 0.244 969 Q C 1.223 176.910 176.000 -0.521 0.000 0.847 969 Q CA 0.758 56.382 55.803 -0.299 0.000 0.945 969 Q CB 0.107 28.732 28.738 -0.188 0.000 1.115 969 Q HN 0.121 nan 8.270 nan 0.000 0.513 970 T N -0.073 114.167 114.554 -0.522 0.000 2.894 970 T HA 0.126 4.478 4.350 0.004 0.000 0.258 970 T C 0.531 174.716 174.700 -0.859 0.000 1.043 970 T CA 1.074 62.699 62.100 -0.792 0.000 1.141 970 T CB -0.157 67.992 68.868 -1.198 0.000 0.873 970 T HN 0.335 nan 8.240 nan 0.000 0.449 971 F N 0.255 119.980 119.950 -0.376 0.000 2.743 971 F HA 0.234 4.763 4.527 0.004 0.000 0.297 971 F C 0.592 176.335 175.800 -0.094 0.000 1.131 971 F CA -0.104 57.762 58.000 -0.222 0.000 1.426 971 F CB -0.296 38.582 39.000 -0.203 0.000 1.116 971 F HN 0.178 nan 8.300 nan 0.000 0.583 972 H N 0.561 119.642 119.070 0.020 0.000 2.740 972 H HA -0.172 4.386 4.556 0.004 0.000 0.327 972 H C -0.186 175.149 175.328 0.011 0.000 1.077 972 H CA 0.108 56.160 56.048 0.007 0.000 1.088 972 H CB -1.423 28.336 29.762 -0.005 0.000 1.619 972 H HN 0.235 nan 8.280 nan 0.000 0.386 973 I N 3.008 123.611 120.570 0.055 0.000 2.396 973 I HA 0.173 4.345 4.170 0.004 0.000 0.292 973 I C 0.112 176.181 176.117 -0.078 0.000 0.999 973 I CA -0.602 60.688 61.300 -0.018 0.000 1.310 973 I CB 0.958 38.919 38.000 -0.065 0.000 1.404 973 I HN 0.253 nan 8.210 nan 0.000 0.496 974 D N 5.660 126.028 120.400 -0.053 0.000 2.198 974 D HA 0.156 4.799 4.640 0.004 0.000 0.245 974 D C 0.045 176.303 176.300 -0.070 0.000 1.079 974 D CA -0.138 53.846 54.000 -0.026 0.000 0.854 974 D CB 0.497 41.313 40.800 0.027 0.000 1.148 974 D HN 0.521 nan 8.370 nan 0.000 0.456 975 H N 1.281 120.372 119.070 0.035 0.000 3.109 975 H HA 0.073 4.631 4.556 0.004 0.000 0.298 975 H C 0.658 175.994 175.328 0.014 0.000 1.248 975 H CA 0.619 56.683 56.048 0.026 0.000 1.204 975 H CB -0.305 29.472 29.762 0.025 0.000 1.367 975 H HN 0.670 nan 8.280 nan 0.000 0.592 976 T N -3.702 110.897 114.554 0.075 0.000 3.254 976 T HA 0.056 4.409 4.350 0.004 0.000 0.267 976 T C 0.773 175.486 174.700 0.022 0.000 0.946 976 T CA -0.397 61.732 62.100 0.049 0.000 0.991 976 T CB 0.863 69.757 68.868 0.044 0.000 1.205 976 T HN 0.030 nan 8.240 nan 0.000 0.494 977 K N 3.174 123.580 120.400 0.011 0.000 2.297 977 K HA 0.460 4.783 4.320 0.004 0.000 0.286 977 K C -2.620 173.976 176.600 -0.007 0.000 1.053 977 K CA -2.113 54.174 56.287 0.000 0.000 0.940 977 K CB 0.661 33.159 32.500 -0.002 0.000 1.019 977 K HN 0.131 nan 8.250 nan 0.000 0.475 978 P HA -0.054 nan 4.420 nan 0.000 0.268 978 P C -0.399 176.888 177.300 -0.021 0.000 1.208 978 P CA -0.134 62.958 63.100 -0.014 0.000 0.777 978 P CB 0.906 32.597 31.700 -0.015 0.000 0.875 979 S N 0.928 116.612 115.700 -0.026 0.000 2.633 979 S HA 0.135 4.608 4.470 0.004 0.000 0.257 979 S C 0.235 174.812 174.600 -0.039 0.000 1.265 979 S CA -0.024 58.154 58.200 -0.035 0.000 0.980 979 S CB -0.062 63.113 63.200 -0.042 0.000 1.017 979 S HN 0.622 nan 8.310 nan 0.000 0.577 980 D N 0.751 121.121 120.400 -0.049 0.000 2.837 980 D HA 0.249 4.891 4.640 0.004 0.000 0.340 980 D C -0.517 175.746 176.300 -0.062 0.000 1.451 980 D CA -0.200 53.772 54.000 -0.047 0.000 0.798 980 D CB -0.855 39.922 40.800 -0.038 0.000 1.169 980 D HN 0.294 nan 8.370 nan 0.000 0.449 981 L N 0.086 121.260 121.223 -0.081 0.000 2.330 981 L HA 0.551 4.893 4.340 0.004 0.000 0.271 981 L C 0.323 177.135 176.870 -0.097 0.000 1.013 981 L CA -0.706 54.065 54.840 -0.115 0.000 0.816 981 L CB 2.045 43.992 42.059 -0.186 0.000 1.287 981 L HN -0.156 nan 8.230 nan 0.000 0.435 982 T N 1.103 115.597 114.554 -0.099 0.000 2.909 982 T HA 0.273 4.625 4.350 0.004 0.000 0.286 982 T C 1.512 176.156 174.700 -0.093 0.000 1.002 982 T CA -0.670 61.384 62.100 -0.077 0.000 1.074 982 T CB 1.610 70.444 68.868 -0.057 0.000 0.984 982 T HN 0.301 nan 8.240 nan 0.000 0.495 983 I N 1.315 121.843 120.570 -0.069 0.000 2.423 983 I HA -0.133 4.039 4.170 0.004 0.000 0.254 983 I C 2.159 178.241 176.117 -0.058 0.000 1.151 983 I CA 1.521 62.783 61.300 -0.063 0.000 1.421 983 I CB -0.930 37.045 38.000 -0.041 0.000 1.079 983 I HN 0.704 nan 8.210 nan 0.000 0.431 984 K N 0.488 120.859 120.400 -0.049 0.000 2.057 984 K HA -0.159 4.163 4.320 0.004 0.000 0.206 984 K C 1.726 178.297 176.600 -0.049 0.000 1.050 984 K CA 1.281 57.546 56.287 -0.037 0.000 0.935 984 K CB -0.091 32.394 32.500 -0.026 0.000 0.715 984 K HN 0.209 nan 8.250 nan 0.000 0.439 985 D N 1.088 121.441 120.400 -0.078 0.000 2.127 985 D HA -0.195 4.448 4.640 0.004 0.000 0.190 985 D C 1.889 178.097 176.300 -0.154 0.000 1.000 985 D CA 1.341 55.279 54.000 -0.103 0.000 0.839 985 D CB -0.328 40.380 40.800 -0.153 0.000 0.955 985 D HN 0.131 nan 8.370 nan 0.000 0.446 986 I N 0.179 120.588 120.570 -0.268 0.000 2.094 986 I HA -0.231 3.941 4.170 0.004 0.000 0.234 986 I C 2.569 178.656 176.117 -0.049 0.000 1.063 986 I CA 0.707 61.824 61.300 -0.305 0.000 1.328 986 I CB -0.442 37.383 38.000 -0.292 0.000 1.058 986 I HN -0.117 nan 8.210 nan 0.000 0.400 987 V N 0.671 120.564 119.914 -0.036 0.000 2.295 987 V HA -0.272 3.850 4.120 0.004 0.000 0.246 987 V C 2.298 178.403 176.094 0.019 0.000 1.049 987 V CA 1.900 64.204 62.300 0.008 0.000 1.024 987 V CB -0.438 31.387 31.823 0.003 0.000 0.648 987 V HN 0.382 nan 8.190 nan 0.000 0.447 988 L N -0.038 121.190 121.223 0.008 0.000 2.341 988 L HA 0.144 4.486 4.340 0.004 0.000 0.214 988 L C 2.245 179.136 176.870 0.034 0.000 1.115 988 L CA 1.244 56.092 54.840 0.014 0.000 0.820 988 L CB -0.464 41.597 42.059 0.005 0.000 0.944 988 L HN 0.333 nan 8.230 nan 0.000 0.452 989 G N -0.852 107.985 108.800 0.062 0.000 2.404 989 G HA2 -0.192 3.770 3.960 0.004 0.000 0.215 989 G HA3 -0.192 3.770 3.960 0.004 0.000 0.215 989 G C 1.450 176.420 174.900 0.117 0.000 1.174 989 G CA 0.942 46.117 45.100 0.125 0.000 0.780 989 G HN 0.224 nan 8.290 nan 0.000 0.537 990 V N 0.991 120.985 119.914 0.133 0.000 2.332 990 V HA -0.165 3.957 4.120 0.004 0.000 0.248 990 V C 2.713 178.815 176.094 0.013 0.000 1.055 990 V CA 2.229 64.574 62.300 0.075 0.000 1.038 990 V CB -0.440 31.434 31.823 0.086 0.000 0.651 990 V HN 0.280 nan 8.190 nan 0.000 0.450 991 K N 0.663 121.071 120.400 0.015 0.000 2.044 991 K HA -0.217 4.105 4.320 0.004 0.000 0.210 991 K C 1.737 178.329 176.600 -0.013 0.000 1.049 991 K CA 1.990 58.273 56.287 -0.007 0.000 0.927 991 K CB -0.654 31.844 32.500 -0.002 0.000 0.713 991 K HN 0.448 nan 8.250 nan 0.000 0.443 992 D N -0.384 120.017 120.400 0.001 0.000 2.269 992 D HA -0.101 4.541 4.640 0.004 0.000 0.208 992 D C 1.676 177.965 176.300 -0.018 0.000 0.963 992 D CA 0.489 54.487 54.000 -0.004 0.000 0.864 992 D CB -0.040 40.766 40.800 0.009 0.000 0.936 992 D HN 0.154 nan 8.370 nan 0.000 0.505 993 L N 0.985 122.193 121.223 -0.025 0.000 2.027 993 L HA -0.132 4.211 4.340 0.004 0.000 0.206 993 L C 1.810 178.632 176.870 -0.079 0.000 1.074 993 L CA 1.693 56.500 54.840 -0.055 0.000 0.745 993 L CB -0.574 41.442 42.059 -0.072 0.000 0.898 993 L HN -0.071 nan 8.230 nan 0.000 0.433 994 Q N -0.551 119.199 119.800 -0.082 0.000 2.439 994 Q HA -0.149 4.193 4.340 0.004 0.000 0.211 994 Q C 1.618 177.570 176.000 -0.081 0.000 0.978 994 Q CA 0.874 56.616 55.803 -0.102 0.000 0.897 994 Q CB -0.162 28.520 28.738 -0.093 0.000 0.956 994 Q HN 0.582 nan 8.270 nan 0.000 0.483 995 E N 1.238 121.403 120.200 -0.058 0.000 2.216 995 E HA -0.076 4.276 4.350 0.004 0.000 0.192 995 E C 0.883 177.459 176.600 -0.040 0.000 0.988 995 E CA 0.649 57.024 56.400 -0.041 0.000 0.834 995 E CB 0.079 29.763 29.700 -0.028 0.000 0.772 995 E HN 0.554 nan 8.360 nan 0.000 0.479 996 N N 0.237 118.906 118.700 -0.052 0.000 2.351 996 N HA 0.035 4.778 4.740 0.004 0.000 0.254 996 N C 0.131 175.608 175.510 -0.056 0.000 1.241 996 N CA -0.054 52.972 53.050 -0.039 0.000 0.883 996 N CB -0.021 38.451 38.487 -0.025 0.000 1.202 996 N HN 0.031 nan 8.380 nan 0.000 0.512 997 L N 1.268 122.416 121.223 -0.125 0.000 2.727 997 L HA 0.267 4.609 4.340 0.004 0.000 0.237 997 L C 0.062 176.919 176.870 -0.021 0.000 1.370 997 L CA -0.443 54.250 54.840 -0.246 0.000 1.248 997 L CB -0.187 41.454 42.059 -0.696 0.000 1.556 997 L HN 0.005 nan 8.230 nan 0.000 0.420 998 L N 0.612 121.875 121.223 0.066 0.000 2.514 998 L HA -0.004 4.338 4.340 0.004 0.000 0.280 998 L C 1.031 178.011 176.870 0.184 0.000 1.223 998 L CA 0.675 55.571 54.840 0.094 0.000 0.864 998 L CB 1.398 43.490 42.059 0.057 0.000 1.118 998 L HN 0.171 nan 8.230 nan 0.000 0.494 999 V N 3.556 123.555 119.914 0.143 0.000 3.102 999 V HA 0.198 4.320 4.120 0.004 0.000 0.225 999 V C 0.452 176.585 176.094 0.066 0.000 1.301 999 V CA 0.009 62.379 62.300 0.116 0.000 1.308 999 V CB 0.801 32.711 31.823 0.146 0.000 1.129 999 V HN 0.462 nan 8.190 nan 0.000 0.502 1000 L N 0.921 122.185 121.223 0.067 0.000 2.272 1000 L HA 0.438 4.781 4.340 0.004 0.000 0.289 1000 L C 1.067 177.964 176.870 0.045 0.000 1.032 1000 L CA -0.151 54.722 54.840 0.056 0.000 0.810 1000 L CB 1.613 43.707 42.059 0.060 0.000 1.205 1000 L HN 0.095 nan 8.230 nan 0.000 0.422 1001 R N 2.198 122.722 120.500 0.040 0.000 2.276 1001 R HA 0.128 4.471 4.340 0.004 0.000 0.196 1001 R C 0.963 177.279 176.300 0.027 0.000 0.961 1001 R CA 0.243 56.361 56.100 0.031 0.000 1.024 1001 R CB 0.046 30.362 30.300 0.026 0.000 0.940 1001 R HN 0.768 nan 8.270 nan 0.000 0.480 1002 G N 0.382 109.201 108.800 0.032 0.000 2.760 1002 G HA2 -0.147 3.816 3.960 0.004 0.000 0.236 1002 G HA3 -0.147 3.816 3.960 0.004 0.000 0.236 1002 G C -0.146 174.766 174.900 0.021 0.000 1.243 1002 G CA -0.163 44.954 45.100 0.028 0.000 0.850 1002 G HN 0.301 nan 8.290 nan 0.000 0.595 1003 K N -0.107 120.303 120.400 0.017 0.000 2.564 1003 K HA 0.120 4.442 4.320 0.004 0.000 0.205 1003 K C 0.306 176.912 176.600 0.010 0.000 1.053 1003 K CA -0.344 55.950 56.287 0.012 0.000 1.072 1003 K CB -0.099 32.406 32.500 0.010 0.000 0.822 1003 K HN 0.697 nan 8.250 nan 0.000 0.497 1004 N N -1.553 117.154 118.700 0.012 0.000 2.815 1004 N HA 0.065 4.807 4.740 0.004 0.000 0.315 1004 N C 0.743 176.257 175.510 0.006 0.000 1.320 1004 N CA -0.635 52.421 53.050 0.009 0.000 0.846 1004 N CB 0.737 39.232 38.487 0.012 0.000 1.344 1004 N HN -0.188 nan 8.380 nan 0.000 0.593 1005 E N 0.020 120.222 120.200 0.003 0.000 2.007 1005 E HA -0.205 4.147 4.350 0.004 0.000 0.203 1005 E C 1.700 178.298 176.600 -0.003 0.000 1.020 1005 E CA 2.578 58.977 56.400 -0.002 0.000 0.845 1005 E CB -0.463 29.235 29.700 -0.004 0.000 0.779 1005 E HN 0.652 nan 8.360 nan 0.000 0.466 1006 I N -0.235 120.334 120.570 -0.002 0.000 2.208 1006 I HA -0.237 3.935 4.170 0.004 0.000 0.245 1006 I C 2.160 178.278 176.117 0.002 0.000 1.097 1006 I CA 1.298 62.594 61.300 -0.007 0.000 1.363 1006 I CB -1.357 36.637 38.000 -0.010 0.000 1.051 1006 I HN 0.112 nan 8.210 nan 0.000 0.413 1007 I N 1.580 122.159 120.570 0.015 0.000 2.052 1007 I HA -0.288 3.885 4.170 0.004 0.000 0.235 1007 I C 2.883 179.011 176.117 0.018 0.000 1.046 1007 I CA 1.738 63.053 61.300 0.025 0.000 1.308 1007 I CB -1.527 36.491 38.000 0.029 0.000 1.031 1007 I HN 0.386 nan 8.210 nan 0.000 0.395 1008 Q N 0.330 120.137 119.800 0.012 0.000 2.297 1008 Q HA -0.201 4.142 4.340 0.004 0.000 0.208 1008 Q C 1.907 177.907 176.000 -0.001 0.000 0.981 1008 Q CA 1.063 56.869 55.803 0.006 0.000 0.876 1008 Q CB -0.503 28.236 28.738 0.002 0.000 0.921 1008 Q HN 0.538 nan 8.270 nan 0.000 0.446 1009 N N 0.627 119.324 118.700 -0.005 0.000 2.092 1009 N HA -0.083 4.659 4.740 0.004 0.000 0.189 1009 N C 1.662 177.165 175.510 -0.011 0.000 1.040 1009 N CA 1.551 54.593 53.050 -0.014 0.000 0.845 1009 N CB -0.431 38.043 38.487 -0.022 0.000 1.017 1009 N HN 0.238 nan 8.380 nan 0.000 0.426 1010 A N 0.805 123.622 122.820 -0.005 0.000 1.908 1010 A HA -0.228 4.095 4.320 0.004 0.000 0.218 1010 A C 2.182 179.779 177.584 0.022 0.000 1.181 1010 A CA 1.988 54.027 52.037 0.004 0.000 0.627 1010 A CB -0.774 18.235 19.000 0.015 0.000 0.818 1010 A HN 0.397 nan 8.150 nan 0.000 0.445 1011 Q N 0.221 120.037 119.800 0.027 0.000 2.096 1011 Q HA -0.203 4.139 4.340 0.004 0.000 0.204 1011 Q C 2.129 178.145 176.000 0.027 0.000 0.982 1011 Q CA 2.403 58.228 55.803 0.037 0.000 0.850 1011 Q CB -0.417 28.341 28.738 0.034 0.000 0.901 1011 Q HN 0.640 nan 8.270 nan 0.000 0.422 1012 R N -0.491 120.013 120.500 0.006 0.000 2.075 1012 R HA -0.134 4.208 4.340 0.004 0.000 0.232 1012 R C 1.349 177.641 176.300 -0.013 0.000 1.126 1012 R CA 1.838 57.931 56.100 -0.011 0.000 0.963 1012 R CB -0.207 30.077 30.300 -0.026 0.000 0.858 1012 R HN 0.355 nan 8.270 nan 0.000 0.435 1013 D N -0.033 120.361 120.400 -0.011 0.000 2.123 1013 D HA -0.049 4.594 4.640 0.004 0.000 0.200 1013 D C 1.553 177.861 176.300 0.013 0.000 0.976 1013 D CA 1.464 55.456 54.000 -0.014 0.000 0.831 1013 D CB -0.121 40.669 40.800 -0.016 0.000 0.974 1013 D HN 0.357 nan 8.370 nan 0.000 0.469 1014 A N -0.020 122.821 122.820 0.034 0.000 2.225 1014 A HA -0.057 4.266 4.320 0.004 0.000 0.215 1014 A C 1.983 179.629 177.584 0.104 0.000 1.164 1014 A CA 0.821 52.895 52.037 0.062 0.000 0.710 1014 A CB -0.132 18.910 19.000 0.071 0.000 0.780 1014 A HN 0.175 nan 8.150 nan 0.000 0.473 1015 V N -1.664 118.308 119.914 0.097 0.000 3.431 1015 V HA -0.085 4.038 4.120 0.004 0.000 0.253 1015 V C 2.337 178.499 176.094 0.114 0.000 1.184 1015 V CA 1.416 63.804 62.300 0.147 0.000 1.104 1015 V CB -0.654 31.226 31.823 0.094 0.000 0.799 1015 V HN 0.524 nan 8.190 nan 0.000 0.462 1016 T N 1.316 115.887 114.554 0.028 0.000 2.567 1016 T HA -0.381 3.972 4.350 0.004 0.000 0.261 1016 T C 1.839 176.539 174.700 -0.000 0.000 1.123 1016 T CA 2.601 64.669 62.100 -0.053 0.000 1.166 1016 T CB -0.469 68.330 68.868 -0.115 0.000 0.860 1016 T HN 0.314 nan 8.240 nan 0.000 0.436 1017 L N -0.468 120.811 121.223 0.092 0.000 1.970 1017 L HA -0.104 4.239 4.340 0.004 0.000 0.212 1017 L C 2.323 179.314 176.870 0.201 0.000 1.071 1017 L CA 1.728 56.666 54.840 0.162 0.000 0.751 1017 L CB -0.453 41.719 42.059 0.188 0.000 0.889 1017 L HN 0.217 nan 8.230 nan 0.000 0.432 1018 F N 0.332 120.333 119.950 0.085 0.000 2.111 1018 F HA -0.359 4.170 4.527 0.004 0.000 0.300 1018 F C 2.502 178.326 175.800 0.040 0.000 1.088 1018 F CA 1.773 59.830 58.000 0.095 0.000 1.243 1018 F CB -0.916 38.178 39.000 0.157 0.000 0.996 1018 F HN 0.213 nan 8.300 nan 0.000 0.483 1019 C N -0.438 118.794 119.300 -0.114 0.000 2.425 1019 C HA -0.209 4.253 4.460 0.004 0.000 0.277 1019 C C 2.992 177.876 174.990 -0.178 0.000 1.280 1019 C CA 1.090 59.964 59.018 -0.241 0.000 1.744 1019 C CB -1.928 25.724 27.740 -0.147 0.000 1.989 1019 C HN 0.686 nan 8.230 nan 0.000 0.491 1020 C N 0.355 119.602 119.300 -0.089 0.000 2.419 1020 C HA -0.052 4.410 4.460 0.004 0.000 0.283 1020 C C 2.453 177.427 174.990 -0.027 0.000 1.373 1020 C CA 0.528 59.518 59.018 -0.048 0.000 1.781 1020 C CB -1.748 25.999 27.740 0.013 0.000 1.886 1020 C HN 0.660 nan 8.230 nan 0.000 0.520 1021 L N 0.480 121.677 121.223 -0.044 0.000 2.068 1021 L HA 0.044 4.386 4.340 0.004 0.000 0.204 1021 L C 2.317 179.122 176.870 -0.109 0.000 1.076 1021 L CA 1.448 56.269 54.840 -0.032 0.000 0.753 1021 L CB -0.782 41.291 42.059 0.023 0.000 0.910 1021 L HN 0.187 nan 8.230 nan 0.000 0.439 1022 L N 0.237 121.283 121.223 -0.296 0.000 1.970 1022 L HA -0.229 4.114 4.340 0.004 0.000 0.212 1022 L C 2.695 179.497 176.870 -0.114 0.000 1.071 1022 L CA 1.955 56.618 54.840 -0.295 0.000 0.751 1022 L CB -0.893 40.867 42.059 -0.499 0.000 0.889 1022 L HN 0.271 nan 8.230 nan 0.000 0.432 1023 R N -0.580 119.860 120.500 -0.100 0.000 2.127 1023 R HA -0.135 4.207 4.340 0.004 0.000 0.238 1023 R C 2.427 178.746 176.300 0.032 0.000 1.134 1023 R CA 1.505 57.586 56.100 -0.032 0.000 0.975 1023 R CB -0.516 29.751 30.300 -0.056 0.000 0.865 1023 R HN 0.706 nan 8.270 nan 0.000 0.447 1024 S N 0.035 115.752 115.700 0.028 0.000 2.406 1024 S HA -0.053 4.420 4.470 0.004 0.000 0.228 1024 S C 1.950 176.717 174.600 0.278 0.000 1.020 1024 S CA 0.656 58.921 58.200 0.108 0.000 0.965 1024 S CB 0.071 63.304 63.200 0.055 0.000 0.798 1024 S HN 0.113 nan 8.310 nan 0.000 0.488 1025 R N 0.387 120.995 120.500 0.180 0.000 2.223 1025 R HA 0.434 4.776 4.340 0.004 0.000 0.198 1025 R C 0.644 177.100 176.300 0.259 0.000 0.984 1025 R CA 0.442 56.679 56.100 0.229 0.000 1.018 1025 R CB -0.071 30.332 30.300 0.173 0.000 0.945 1025 R HN 0.394 nan 8.270 nan 0.000 0.479 1026 L N 0.898 122.231 121.223 0.184 0.000 3.048 1026 L HA 0.470 4.812 4.340 0.004 0.000 0.234 1026 L C -0.387 176.597 176.870 0.191 0.000 1.318 1026 L CA -0.670 54.298 54.840 0.214 0.000 1.109 1026 L CB 0.564 42.722 42.059 0.164 0.000 1.480 1026 L HN 0.020 nan 8.230 nan 0.000 0.495 1027 A N -0.461 122.477 122.820 0.197 0.000 2.290 1027 A HA 0.432 4.755 4.320 0.004 0.000 0.310 1027 A C 1.295 178.934 177.584 0.091 0.000 1.202 1027 A CA -0.305 51.838 52.037 0.176 0.000 0.837 1027 A CB 0.801 19.999 19.000 0.331 0.000 1.139 1027 A HN 0.392 nan 8.150 nan 0.000 0.509 1028 T N 1.486 116.081 114.554 0.068 0.000 2.721 1028 T HA -0.152 4.200 4.350 0.004 0.000 0.268 1028 T C 1.846 176.533 174.700 -0.021 0.000 1.038 1028 T CA 1.530 63.640 62.100 0.016 0.000 1.145 1028 T CB -0.146 68.727 68.868 0.007 0.000 0.858 1028 T HN 0.572 nan 8.240 nan 0.000 0.459 1029 R N 0.499 120.973 120.500 -0.043 0.000 2.339 1029 R HA 0.168 4.510 4.340 0.004 0.000 0.199 1029 R C 2.164 178.365 176.300 -0.165 0.000 1.018 1029 R CA 0.566 56.603 56.100 -0.105 0.000 1.036 1029 R CB -0.095 30.124 30.300 -0.134 0.000 0.899 1029 R HN 0.398 nan 8.270 nan 0.000 0.473 1030 R N -1.020 119.393 120.500 -0.145 0.000 2.140 1030 R HA 0.113 4.455 4.340 0.004 0.000 0.200 1030 R C 1.170 177.398 176.300 -0.120 0.000 1.069 1030 R CA 0.316 56.280 56.100 -0.225 0.000 1.088 1030 R CB 0.519 30.688 30.300 -0.218 0.000 1.012 1030 R HN -0.090 nan 8.270 nan 0.000 0.500 1031 V N 2.033 122.007 119.914 0.100 0.000 3.387 1031 V HA 0.094 4.217 4.120 0.004 0.000 0.353 1031 V C 0.890 177.045 176.094 0.102 0.000 1.193 1031 V CA 0.944 63.399 62.300 0.258 0.000 1.379 1031 V CB -0.497 31.500 31.823 0.290 0.000 1.157 1031 V HN 0.301 nan 8.190 nan 0.000 0.431 1032 L N -1.195 120.046 121.223 0.029 0.000 4.228 1032 L HA 0.215 4.557 4.340 0.004 0.000 0.415 1032 L C 1.242 178.100 176.870 -0.020 0.000 1.154 1032 L CA 0.279 55.117 54.840 -0.004 0.000 1.451 1032 L CB 0.628 42.666 42.059 -0.034 0.000 1.562 1032 L HN 0.280 nan 8.230 nan 0.000 0.617 1033 Q N -0.217 119.556 119.800 -0.046 0.000 2.170 1033 Q HA 0.100 4.442 4.340 0.004 0.000 0.165 1033 Q C 1.080 177.040 176.000 -0.067 0.000 0.599 1033 Q CA 0.315 56.082 55.803 -0.059 0.000 0.844 1033 Q CB 0.912 29.589 28.738 -0.102 0.000 1.139 1033 Q HN 0.304 nan 8.270 nan 0.000 0.388 1034 E N 0.443 120.518 120.200 -0.209 0.000 2.031 1034 E HA -0.147 4.205 4.350 0.004 0.000 0.193 1034 E C -0.219 176.316 176.600 -0.108 0.000 0.994 1034 E CA 1.497 57.731 56.400 -0.278 0.000 0.800 1034 E CB 0.058 29.409 29.700 -0.581 0.000 0.752 1034 E HN 0.245 nan 8.360 nan 0.000 0.447 1035 Y N -0.832 119.519 120.300 0.085 0.000 2.681 1035 Y HA 0.455 5.007 4.550 0.004 0.000 0.347 1035 Y C -0.869 175.070 175.900 0.065 0.000 1.029 1035 Y CA -1.247 56.920 58.100 0.111 0.000 1.279 1035 Y CB -0.245 38.278 38.460 0.106 0.000 1.096 1035 Y HN -0.302 nan 8.280 nan 0.000 0.580 1036 R N 3.462 124.068 120.500 0.177 0.000 2.543 1036 R HA 0.183 4.526 4.340 0.004 0.000 0.348 1036 R C -0.434 175.903 176.300 0.061 0.000 0.981 1036 R CA 0.169 56.314 56.100 0.076 0.000 1.019 1036 R CB 0.165 30.469 30.300 0.007 0.000 0.944 1036 R HN 0.655 nan 8.270 nan 0.000 0.425 1037 L N 2.149 123.435 121.223 0.105 0.000 2.379 1037 L HA 0.264 4.606 4.340 0.004 0.000 0.269 1037 L C 1.400 178.280 176.870 0.017 0.000 1.084 1037 L CA -0.369 54.524 54.840 0.088 0.000 0.802 1037 L CB 1.624 43.812 42.059 0.216 0.000 1.175 1037 L HN 0.654 nan 8.230 nan 0.000 0.448 1038 T N -1.545 112.988 114.554 -0.035 0.000 2.865 1038 T HA 0.154 4.507 4.350 0.004 0.000 0.302 1038 T C 1.024 175.696 174.700 -0.047 0.000 1.078 1038 T CA -0.422 61.637 62.100 -0.067 0.000 0.942 1038 T CB 1.251 70.046 68.868 -0.121 0.000 1.387 1038 T HN 0.451 nan 8.240 nan 0.000 0.557 1039 K N -0.142 120.224 120.400 -0.058 0.000 1.980 1039 K HA -0.080 4.242 4.320 0.004 0.000 0.208 1039 K C 2.364 178.961 176.600 -0.005 0.000 1.043 1039 K CA 1.634 57.906 56.287 -0.025 0.000 0.938 1039 K CB -0.853 31.629 32.500 -0.030 0.000 0.724 1039 K HN 0.810 nan 8.250 nan 0.000 0.438 1040 Q N -0.074 119.673 119.800 -0.088 0.000 2.135 1040 Q HA -0.105 4.238 4.340 0.004 0.000 0.204 1040 Q C 1.657 177.473 176.000 -0.306 0.000 0.981 1040 Q CA 1.635 57.356 55.803 -0.136 0.000 0.856 1040 Q CB -0.080 28.568 28.738 -0.150 0.000 0.902 1040 Q HN 0.355 nan 8.270 nan 0.000 0.425 1041 A N -0.398 122.094 122.820 -0.547 0.000 2.121 1041 A HA -0.105 4.217 4.320 0.004 0.000 0.218 1041 A C 1.564 179.098 177.584 -0.083 0.000 1.154 1041 A CA 0.625 52.171 52.037 -0.818 0.000 0.679 1041 A CB -0.469 18.080 19.000 -0.752 0.000 0.795 1041 A HN 0.566 nan 8.150 nan 0.000 0.458 1042 F N 0.445 120.333 119.950 -0.104 0.000 2.222 1042 F HA 0.031 4.560 4.527 0.004 0.000 0.285 1042 F C 1.645 177.472 175.800 0.045 0.000 1.068 1042 F CA 1.269 59.270 58.000 0.001 0.000 1.265 1042 F CB -0.014 38.975 39.000 -0.018 0.000 1.087 1042 F HN 0.158 nan 8.300 nan 0.000 0.511 1043 D N -0.088 120.421 120.400 0.182 0.000 2.239 1043 D HA -0.272 4.370 4.640 0.004 0.000 0.202 1043 D C 1.659 177.988 176.300 0.048 0.000 0.993 1043 D CA 1.382 55.436 54.000 0.089 0.000 0.874 1043 D CB -0.633 40.237 40.800 0.118 0.000 0.922 1043 D HN 0.511 nan 8.370 nan 0.000 0.464 1044 W N 1.235 122.486 121.300 -0.082 0.000 2.381 1044 W HA -0.209 4.453 4.660 0.004 0.000 0.323 1044 W C 2.332 178.802 176.519 -0.081 0.000 1.194 1044 W CA 1.210 58.545 57.345 -0.017 0.000 1.296 1044 W CB -0.764 28.764 29.460 0.113 0.000 1.175 1044 W HN -0.244 nan 8.180 nan 0.000 0.465 1045 V N 1.229 121.149 119.914 0.011 0.000 2.277 1045 V HA -0.370 3.753 4.120 0.004 0.000 0.253 1045 V C 2.308 178.149 176.094 -0.421 0.000 1.067 1045 V CA 2.168 64.301 62.300 -0.278 0.000 1.047 1045 V CB -1.335 30.375 31.823 -0.187 0.000 0.649 1045 V HN 0.324 nan 8.190 nan 0.000 0.447 1046 L N -0.260 120.681 121.223 -0.470 0.000 1.948 1046 L HA -0.180 4.163 4.340 0.004 0.000 0.212 1046 L C 2.728 179.445 176.870 -0.255 0.000 1.074 1046 L CA 2.461 57.073 54.840 -0.380 0.000 0.753 1046 L CB -0.823 41.016 42.059 -0.368 0.000 0.888 1046 L HN 0.334 nan 8.230 nan 0.000 0.432 1047 S N -0.718 114.860 115.700 -0.205 0.000 2.423 1047 S HA -0.260 4.212 4.470 0.004 0.000 0.238 1047 S C 1.994 176.466 174.600 -0.213 0.000 1.028 1047 S CA 1.719 59.826 58.200 -0.155 0.000 1.000 1047 S CB -0.558 62.588 63.200 -0.091 0.000 0.797 1047 S HN 0.538 nan 8.310 nan 0.000 0.487 1048 N N 0.726 119.203 118.700 -0.372 0.000 2.135 1048 N HA 0.024 4.766 4.740 0.004 0.000 0.186 1048 N C 1.814 177.168 175.510 -0.261 0.000 1.027 1048 N CA 1.256 54.036 53.050 -0.451 0.000 0.849 1048 N CB -0.294 37.637 38.487 -0.927 0.000 1.002 1048 N HN 0.465 nan 8.380 nan 0.000 0.425 1049 I N 1.354 121.795 120.570 -0.216 0.000 2.226 1049 I HA -0.220 3.952 4.170 0.004 0.000 0.245 1049 I C 2.511 178.639 176.117 0.019 0.000 1.100 1049 I CA 0.935 62.197 61.300 -0.065 0.000 1.374 1049 I CB -0.211 37.759 38.000 -0.050 0.000 1.057 1049 I HN 0.302 nan 8.210 nan 0.000 0.413 1050 E N 1.147 121.326 120.200 -0.035 0.000 2.049 1050 E HA -0.299 4.054 4.350 0.004 0.000 0.198 1050 E C 2.196 178.825 176.600 0.049 0.000 1.007 1050 E CA 1.762 58.164 56.400 0.004 0.000 0.809 1050 E CB -0.040 29.638 29.700 -0.038 0.000 0.749 1050 E HN 0.512 nan 8.360 nan 0.000 0.450 1051 A N 0.838 123.652 122.820 -0.010 0.000 1.897 1051 A HA -0.170 4.152 4.320 0.004 0.000 0.215 1051 A C 2.137 179.716 177.584 -0.007 0.000 1.181 1051 A CA 1.133 53.162 52.037 -0.012 0.000 0.620 1051 A CB -0.426 18.549 19.000 -0.042 0.000 0.821 1051 A HN 0.288 nan 8.150 nan 0.000 0.443 1052 Q N -1.417 118.377 119.800 -0.011 0.000 2.077 1052 Q HA -0.229 4.113 4.340 0.004 0.000 0.206 1052 Q C 1.948 177.944 176.000 -0.006 0.000 0.989 1052 Q CA 1.926 57.724 55.803 -0.010 0.000 0.853 1052 Q CB -0.411 28.326 28.738 -0.000 0.000 0.907 1052 Q HN 0.748 nan 8.270 nan 0.000 0.418 1053 F N 1.293 121.185 119.950 -0.097 0.000 2.046 1053 F HA -0.218 4.311 4.527 0.004 0.000 0.297 1053 F C 2.129 177.835 175.800 -0.157 0.000 1.123 1053 F CA 1.304 59.213 58.000 -0.151 0.000 1.199 1053 F CB -0.330 38.607 39.000 -0.105 0.000 0.972 1053 F HN -0.021 nan 8.300 nan 0.000 0.474 1054 L N 0.052 121.319 121.223 0.073 0.000 2.263 1054 L HA -0.233 4.110 4.340 0.004 0.000 0.216 1054 L C 2.457 179.202 176.870 -0.208 0.000 1.111 1054 L CA 1.251 56.059 54.840 -0.053 0.000 0.773 1054 L CB -0.753 41.317 42.059 0.018 0.000 0.906 1054 L HN 0.207 nan 8.230 nan 0.000 0.439 1055 R N -0.622 119.751 120.500 -0.212 0.000 2.148 1055 R HA -0.052 4.290 4.340 0.004 0.000 0.227 1055 R C 2.065 178.044 176.300 -0.536 0.000 1.103 1055 R CA 1.129 57.057 56.100 -0.286 0.000 0.983 1055 R CB -0.082 30.103 30.300 -0.192 0.000 0.874 1055 R HN 0.217 nan 8.270 nan 0.000 0.451 1056 S N 0.213 115.601 115.700 -0.519 0.000 2.593 1056 S HA 0.089 4.561 4.470 0.004 0.000 0.217 1056 S C 0.506 174.830 174.600 -0.459 0.000 0.966 1056 S CA -0.183 57.697 58.200 -0.534 0.000 0.914 1056 S CB 0.378 63.323 63.200 -0.424 0.000 0.776 1056 S HN -0.049 nan 8.310 nan 0.000 0.523 1057 V N 2.195 121.831 119.914 -0.465 0.000 2.843 1057 V HA 0.098 4.221 4.120 0.004 0.000 0.305 1057 V C 0.680 176.615 176.094 -0.265 0.000 1.065 1057 V CA -0.291 61.801 62.300 -0.347 0.000 1.116 1057 V CB 1.090 32.722 31.823 -0.317 0.000 0.968 1057 V HN 0.099 nan 8.190 nan 0.000 0.487 1058 V N 4.608 124.432 119.914 -0.151 0.000 2.614 1058 V HA 0.112 4.234 4.120 0.004 0.000 0.291 1058 V C 0.415 176.411 176.094 -0.162 0.000 1.049 1058 V CA -0.319 61.921 62.300 -0.100 0.000 1.038 1058 V CB 0.461 32.217 31.823 -0.112 0.000 0.980 1058 V HN 0.771 nan 8.190 nan 0.000 0.481 1059 H N 5.577 124.564 119.070 -0.139 0.000 2.668 1059 H HA 0.218 4.777 4.556 0.004 0.000 0.303 1059 H C -2.240 172.969 175.328 -0.198 0.000 1.074 1059 H CA -1.847 54.120 56.048 -0.135 0.000 1.406 1059 H CB 1.113 30.816 29.762 -0.097 0.000 1.442 1059 H HN 0.464 nan 8.280 nan 0.000 0.482 1060 P HA -0.038 nan 4.420 nan 0.000 0.261 1060 P C 1.010 178.082 177.300 -0.379 0.000 1.183 1060 P CA 1.013 63.850 63.100 -0.439 0.000 0.761 1060 P CB 0.712 31.854 31.700 -0.930 0.000 0.785 1061 G N 2.292 110.908 108.800 -0.307 0.000 3.031 1061 G HA2 -0.168 3.794 3.960 0.004 0.000 0.198 1061 G HA3 -0.168 3.794 3.960 0.004 0.000 0.198 1061 G C -0.077 174.745 174.900 -0.131 0.000 1.242 1061 G CA -0.563 44.442 45.100 -0.159 0.000 0.878 1061 G HN 0.502 nan 8.290 nan 0.000 0.493 1062 E N 2.171 122.299 120.200 -0.120 0.000 3.131 1062 E HA -0.016 4.336 4.350 0.004 0.000 0.258 1062 E C 0.412 176.930 176.600 -0.137 0.000 0.901 1062 E CA 0.798 57.121 56.400 -0.128 0.000 0.964 1062 E CB 0.052 29.652 29.700 -0.168 0.000 0.903 1062 E HN 0.372 nan 8.360 nan 0.000 0.537 1063 M N 4.387 123.926 119.600 -0.101 0.000 2.589 1063 M HA 0.072 4.555 4.480 0.004 0.000 0.340 1063 M C 0.938 177.201 176.300 -0.062 0.000 1.308 1063 M CA -0.255 54.997 55.300 -0.080 0.000 1.332 1063 M CB 0.465 33.026 32.600 -0.064 0.000 1.219 1063 M HN 0.162 nan 8.290 nan 0.000 0.467 1064 V N 1.940 121.817 119.914 -0.062 0.000 2.970 1064 V HA -0.078 4.044 4.120 0.004 0.000 0.260 1064 V C 2.255 178.380 176.094 0.053 0.000 1.100 1064 V CA 1.796 64.104 62.300 0.013 0.000 1.122 1064 V CB -1.004 30.849 31.823 0.051 0.000 0.721 1064 V HN 0.954 nan 8.190 nan 0.000 0.483 1065 G N 0.976 109.781 108.800 0.008 0.000 2.639 1065 G HA2 -0.252 3.710 3.960 0.004 0.000 0.216 1065 G HA3 -0.252 3.710 3.960 0.004 0.000 0.216 1065 G C 1.631 176.506 174.900 -0.043 0.000 1.267 1065 G CA 1.540 46.628 45.100 -0.019 0.000 0.801 1065 G HN 0.325 nan 8.290 nan 0.000 0.592 1066 V N 0.971 120.854 119.914 -0.052 0.000 2.231 1066 V HA -0.200 3.922 4.120 0.004 0.000 0.250 1066 V C 2.798 178.848 176.094 -0.074 0.000 1.058 1066 V CA 1.741 64.002 62.300 -0.065 0.000 1.022 1066 V CB -0.725 31.065 31.823 -0.056 0.000 0.640 1066 V HN 0.295 nan 8.190 nan 0.000 0.445 1067 L N 0.257 121.449 121.223 -0.052 0.000 2.021 1067 L HA -0.244 4.098 4.340 0.004 0.000 0.215 1067 L C 2.549 179.309 176.870 -0.184 0.000 1.074 1067 L CA 2.841 57.640 54.840 -0.070 0.000 0.760 1067 L CB -1.600 40.474 42.059 0.024 0.000 0.889 1067 L HN 0.386 nan 8.230 nan 0.000 0.433 1068 A N -0.891 121.872 122.820 -0.096 0.000 1.855 1068 A HA -0.103 4.219 4.320 0.004 0.000 0.215 1068 A C 2.480 179.953 177.584 -0.186 0.000 1.191 1068 A CA 2.000 53.954 52.037 -0.138 0.000 0.613 1068 A CB -0.927 18.117 19.000 0.074 0.000 0.829 1068 A HN 0.506 nan 8.150 nan 0.000 0.442 1069 A N -0.645 122.093 122.820 -0.137 0.000 1.892 1069 A HA -0.276 4.047 4.320 0.004 0.000 0.218 1069 A C 2.163 179.654 177.584 -0.156 0.000 1.188 1069 A CA 1.882 53.832 52.037 -0.145 0.000 0.631 1069 A CB -0.710 18.206 19.000 -0.140 0.000 0.822 1069 A HN 0.667 nan 8.150 nan 0.000 0.447 1070 Q N -0.331 119.375 119.800 -0.157 0.000 2.020 1070 Q HA -0.132 4.210 4.340 0.004 0.000 0.202 1070 Q C 2.377 178.271 176.000 -0.177 0.000 0.982 1070 Q CA 1.822 57.531 55.803 -0.156 0.000 0.838 1070 Q CB -0.290 28.375 28.738 -0.121 0.000 0.899 1070 Q HN 0.679 nan 8.270 nan 0.000 0.423 1071 S N 0.535 116.089 115.700 -0.243 0.000 2.465 1071 S HA -0.085 4.387 4.470 0.004 0.000 0.241 1071 S C 1.768 176.246 174.600 -0.204 0.000 1.000 1071 S CA 0.871 58.903 58.200 -0.280 0.000 0.964 1071 S CB -0.085 62.721 63.200 -0.656 0.000 0.763 1071 S HN 0.294 nan 8.310 nan 0.000 0.512 1072 I N 0.502 120.964 120.570 -0.180 0.000 3.339 1072 I HA 0.115 4.288 4.170 0.004 0.000 0.285 1072 I C 2.539 178.581 176.117 -0.125 0.000 1.201 1072 I CA 0.531 61.750 61.300 -0.135 0.000 1.434 1072 I CB -0.450 37.478 38.000 -0.120 0.000 1.152 1072 I HN 0.331 nan 8.210 nan 0.000 0.443 1073 G N 0.463 109.182 108.800 -0.135 0.000 2.403 1073 G HA2 -0.205 3.758 3.960 0.004 0.000 0.216 1073 G HA3 -0.205 3.758 3.960 0.004 0.000 0.216 1073 G C 1.525 176.346 174.900 -0.133 0.000 1.154 1073 G CA 0.333 45.357 45.100 -0.126 0.000 0.784 1073 G HN 0.249 nan 8.290 nan 0.000 0.538 1074 E N 1.298 121.399 120.200 -0.165 0.000 2.017 1074 E HA -0.090 4.263 4.350 0.004 0.000 0.193 1074 E C -0.095 176.440 176.600 -0.108 0.000 0.997 1074 E CA 1.318 57.608 56.400 -0.184 0.000 0.804 1074 E CB -0.746 28.799 29.700 -0.259 0.000 0.757 1074 E HN 0.291 nan 8.360 nan 0.000 0.448 1075 P HA -0.011 nan 4.420 nan 0.000 0.223 1075 P C 0.918 178.175 177.300 -0.072 0.000 1.151 1075 P CA 1.645 64.705 63.100 -0.066 0.000 0.787 1075 P CB -0.137 31.521 31.700 -0.071 0.000 0.788 1076 A N -0.584 122.187 122.820 -0.082 0.000 1.898 1076 A HA -0.148 4.174 4.320 0.004 0.000 0.216 1076 A C 2.196 179.742 177.584 -0.063 0.000 1.181 1076 A CA 2.087 54.080 52.037 -0.073 0.000 0.620 1076 A CB -1.944 17.011 19.000 -0.075 0.000 0.819 1076 A HN 0.121 nan 8.150 nan 0.000 0.442 1077 T N 0.203 114.714 114.554 -0.071 0.000 2.946 1077 T HA -0.108 4.245 4.350 0.004 0.000 0.271 1077 T C 1.600 176.270 174.700 -0.050 0.000 1.104 1077 T CA 1.393 63.456 62.100 -0.062 0.000 1.114 1077 T CB -0.206 68.614 68.868 -0.082 0.000 0.867 1077 T HN 0.392 nan 8.240 nan 0.000 0.513 1078 Q N 0.139 119.909 119.800 -0.051 0.000 2.403 1078 Q HA 0.211 4.554 4.340 0.004 0.000 0.203 1078 Q C 0.266 176.236 176.000 -0.049 0.000 0.932 1078 Q CA 0.284 56.061 55.803 -0.043 0.000 0.945 1078 Q CB 0.064 28.781 28.738 -0.036 0.000 1.045 1078 Q HN 0.542 nan 8.270 nan 0.000 0.511 1079 M N 0.962 120.531 119.600 -0.052 0.000 2.077 1079 M HA 0.349 4.832 4.480 0.004 0.000 0.348 1079 M C -0.337 175.939 176.300 -0.040 0.000 1.252 1079 M CA 0.294 55.560 55.300 -0.056 0.000 1.096 1079 M CB 0.807 33.374 32.600 -0.054 0.000 1.568 1079 M HN -0.221 nan 8.290 nan 0.000 0.456 1080 T N 1.982 116.509 114.554 -0.045 0.000 2.718 1080 T HA 0.442 4.794 4.350 0.004 0.000 0.306 1080 T C 0.378 175.062 174.700 -0.027 0.000 1.485 1080 T CA -0.658 61.428 62.100 -0.024 0.000 0.997 1080 T CB 1.918 70.776 68.868 -0.018 0.000 1.504 1080 T HN 0.656 nan 8.240 nan 0.000 0.497 1081 L N 0.805 122.028 121.223 -0.000 0.000 3.640 1081 L HA -0.245 4.098 4.340 0.004 0.000 0.053 1081 L C 0.076 176.968 176.870 0.036 0.000 4.284 1081 L CA 3.115 57.966 54.840 0.018 0.000 0.728 1081 L CB -1.627 40.441 42.059 0.016 0.000 3.467 1081 L HN 1.186 nan 8.230 nan 0.000 0.808 1082 N N -1.059 117.632 118.700 -0.015 0.000 2.571 1082 N HA 0.399 5.141 4.740 0.004 0.000 0.286 1082 N C -0.123 175.156 175.510 -0.385 0.000 1.138 1082 N CA 0.222 53.266 53.050 -0.011 0.000 0.859 1082 N CB 1.440 40.093 38.487 0.276 0.000 1.414 1082 N HN 0.570 nan 8.380 nan 0.000 0.529 1083 T N 0.134 114.555 114.554 -0.221 0.000 3.044 1083 T HA -0.258 4.095 4.350 0.004 0.000 0.450 1083 T C -0.480 174.333 174.700 0.188 0.000 0.774 1083 T CA 0.943 63.104 62.100 0.101 0.000 2.290 1083 T CB -2.339 66.564 68.868 0.060 0.000 1.648 1083 T HN 0.789 nan 8.240 nan 0.000 0.569 1084 F N -1.600 118.337 119.950 -0.023 0.000 2.753 1084 F HA 0.480 5.009 4.527 0.004 0.000 0.379 1084 F C 0.710 176.558 175.800 0.080 0.000 1.419 1084 F CA -1.459 56.543 58.000 0.003 0.000 1.113 1084 F CB -0.130 38.860 39.000 -0.018 0.000 2.071 1084 F HN 0.236 nan 8.300 nan 0.000 0.563 1085 H N 1.264 120.414 119.070 0.132 0.000 2.269 1085 H HA -0.004 4.554 4.556 0.004 0.000 0.299 1085 H C -0.230 175.207 175.328 0.182 0.000 1.058 1085 H CA 2.529 58.648 56.048 0.118 0.000 1.246 1085 H CB 0.220 30.077 29.762 0.159 0.000 1.376 1085 H HN 0.494 nan 8.280 nan 0.000 0.503 1086 F N -0.433 119.614 119.950 0.162 0.000 3.228 1086 F HA 0.446 4.975 4.527 0.004 0.000 0.390 1086 F C -0.589 175.271 175.800 0.100 0.000 1.235 1086 F CA -0.099 58.001 58.000 0.168 0.000 1.236 1086 F CB 0.448 39.544 39.000 0.159 0.000 1.855 1086 F HN 0.306 nan 8.300 nan 0.000 0.647 1087 A N 3.258 125.915 122.820 -0.271 0.000 2.136 1087 A HA 0.180 4.502 4.320 0.004 0.000 0.274 1087 A C 0.762 178.256 177.584 -0.150 0.000 1.388 1087 A CA 1.411 53.275 52.037 -0.288 0.000 0.741 1087 A CB -1.770 16.927 19.000 -0.504 0.000 1.173 1087 A HN 1.932 nan 8.150 nan 0.000 0.329 1088 G N -1.539 107.227 108.800 -0.057 0.000 3.183 1088 G HA2 0.431 4.393 3.960 0.004 0.000 0.140 1088 G HA3 0.431 4.393 3.960 0.004 0.000 0.140 1088 G C 0.529 175.425 174.900 -0.007 0.000 1.209 1088 G CA 0.508 45.595 45.100 -0.021 0.000 1.438 1088 G HN 1.174 nan 8.290 nan 0.000 0.700 1089 V N 2.090 122.016 119.914 0.021 0.000 3.649 1089 V HA 0.502 4.625 4.120 0.004 0.000 0.275 1089 V C 1.227 177.333 176.094 0.021 0.000 1.281 1089 V CA 0.952 63.262 62.300 0.018 0.000 1.143 1089 V CB -1.160 30.685 31.823 0.036 0.000 0.892 1089 V HN 2.230 nan 8.190 nan 0.000 0.441 1090 A N -0.549 122.295 122.820 0.040 0.000 2.443 1090 A HA 0.023 4.346 4.320 0.004 0.000 0.686 1090 A C 0.711 178.330 177.584 0.057 0.000 0.144 1090 A CA 0.202 52.269 52.037 0.051 0.000 0.033 1090 A CB -1.680 17.331 19.000 0.018 0.000 3.972 1090 A HN 1.316 nan 8.150 nan 0.000 0.548 1091 S N -0.712 115.012 115.700 0.041 0.000 3.109 1091 S HA -0.193 4.279 4.470 0.004 0.000 0.632 1091 S C 1.017 175.700 174.600 0.138 0.000 2.927 1091 S CA 2.143 60.364 58.200 0.034 0.000 3.233 1091 S CB -0.680 62.540 63.200 0.032 0.000 0.325 1091 S HN 2.095 nan 8.310 nan 0.000 1.720 1092 K N 0.060 120.573 120.400 0.189 0.000 2.763 1092 K HA 0.369 4.692 4.320 0.004 0.000 0.207 1092 K C 0.925 177.619 176.600 0.157 0.000 1.532 1092 K CA 0.071 56.491 56.287 0.221 0.000 1.059 1092 K CB -0.029 32.680 32.500 0.347 0.000 1.854 1092 K HN 0.232 nan 8.250 nan 0.000 0.497 1093 K N 1.550 122.036 120.400 0.145 0.000 2.358 1093 K HA 0.201 4.524 4.320 0.004 0.000 0.197 1093 K C 0.043 176.750 176.600 0.177 0.000 1.025 1093 K CA 0.175 56.569 56.287 0.179 0.000 1.104 1093 K CB 0.575 33.149 32.500 0.125 0.000 0.855 1093 K HN 0.229 nan 8.250 nan 0.000 0.531 1094 V N 0.551 120.521 119.914 0.094 0.000 3.237 1094 V HA 0.095 4.218 4.120 0.004 0.000 0.305 1094 V C 0.493 176.470 176.094 -0.195 0.000 1.096 1094 V CA -0.673 61.625 62.300 -0.003 0.000 1.130 1094 V CB 0.007 31.832 31.823 0.004 0.000 1.048 1094 V HN 0.284 nan 8.190 nan 0.000 0.484 1095 T N 1.648 116.074 114.554 -0.214 0.000 2.799 1095 T HA 0.510 4.862 4.350 0.004 0.000 0.296 1095 T C 0.222 174.664 174.700 -0.430 0.000 0.947 1095 T CA 0.182 62.052 62.100 -0.384 0.000 1.141 1095 T CB 0.327 69.094 68.868 -0.170 0.000 0.891 1095 T HN 1.507 nan 8.240 nan 0.000 0.533 1096 S N 2.450 117.714 115.700 -0.727 0.000 2.841 1096 S HA 0.939 5.412 4.470 0.004 0.000 0.318 1096 S C 0.543 174.955 174.600 -0.314 0.000 1.127 1096 S CA -0.071 57.874 58.200 -0.426 0.000 0.883 1096 S CB 1.247 64.232 63.200 -0.359 0.000 1.271 1096 S HN 2.099 nan 8.310 nan 0.000 0.567 1097 G N -0.093 108.608 108.800 -0.165 0.000 2.698 1097 G HA2 -0.180 3.782 3.960 0.004 0.000 0.233 1097 G HA3 -0.180 3.782 3.960 0.004 0.000 0.233 1097 G C 0.595 175.454 174.900 -0.068 0.000 1.352 1097 G CA -0.152 44.897 45.100 -0.086 0.000 0.879 1097 G HN 1.536 nan 8.290 nan 0.000 0.567 1098 V N 1.924 121.815 119.914 -0.037 0.000 2.278 1098 V HA -0.189 3.933 4.120 0.004 0.000 0.251 1098 V C 0.692 176.777 176.094 -0.015 0.000 1.062 1098 V CA 3.352 65.639 62.300 -0.022 0.000 1.038 1098 V CB -1.434 30.386 31.823 -0.005 0.000 0.646 1098 V HN 0.651 nan 8.190 nan 0.000 0.447 1099 P HA -0.219 nan 4.420 nan 0.000 0.216 1099 P C 1.752 179.041 177.300 -0.018 0.000 1.157 1099 P CA 1.747 64.843 63.100 -0.007 0.000 0.880 1099 P CB -0.090 31.603 31.700 -0.013 0.000 0.791 1100 R N -0.296 120.171 120.500 -0.056 0.000 2.070 1100 R HA -0.105 4.237 4.340 0.004 0.000 0.233 1100 R C 2.111 178.403 176.300 -0.013 0.000 1.137 1100 R CA 1.335 57.408 56.100 -0.045 0.000 0.945 1100 R CB -1.732 28.516 30.300 -0.087 0.000 0.845 1100 R HN 0.035 nan 8.270 nan 0.000 0.430 1101 L N 1.189 122.394 121.223 -0.030 0.000 2.129 1101 L HA -0.139 4.203 4.340 0.004 0.000 0.212 1101 L C 2.050 178.923 176.870 0.004 0.000 1.087 1101 L CA 2.010 56.834 54.840 -0.026 0.000 0.757 1101 L CB -0.604 41.429 42.059 -0.043 0.000 0.896 1101 L HN 0.292 nan 8.230 nan 0.000 0.434 1102 K N -0.602 119.811 120.400 0.020 0.000 2.097 1102 K HA -0.171 4.151 4.320 0.004 0.000 0.205 1102 K C 1.877 178.518 176.600 0.069 0.000 1.050 1102 K CA 1.604 57.921 56.287 0.050 0.000 0.938 1102 K CB -0.021 32.513 32.500 0.057 0.000 0.718 1102 K HN 0.516 nan 8.250 nan 0.000 0.442 1103 E N 0.608 120.847 120.200 0.066 0.000 2.015 1103 E HA -0.174 4.178 4.350 0.004 0.000 0.191 1103 E C 1.946 178.641 176.600 0.158 0.000 0.991 1103 E CA 1.193 57.651 56.400 0.096 0.000 0.802 1103 E CB -0.135 29.614 29.700 0.082 0.000 0.759 1103 E HN 0.216 nan 8.360 nan 0.000 0.447 1104 I N 1.024 121.685 120.570 0.152 0.000 2.290 1104 I HA -0.289 3.883 4.170 0.004 0.000 0.253 1104 I C 2.226 178.406 176.117 0.104 0.000 1.112 1104 I CA 1.621 63.001 61.300 0.133 0.000 1.377 1104 I CB -0.896 37.079 38.000 -0.042 0.000 1.060 1104 I HN 0.186 nan 8.210 nan 0.000 0.428 1105 L N -0.292 120.980 121.223 0.082 0.000 2.408 1105 L HA 0.046 4.389 4.340 0.004 0.000 0.215 1105 L C 1.620 178.564 176.870 0.122 0.000 1.081 1105 L CA 0.267 55.148 54.840 0.068 0.000 0.840 1105 L CB -0.376 41.697 42.059 0.022 0.000 1.002 1105 L HN 0.140 nan 8.230 nan 0.000 0.468 1106 N N -0.229 118.553 118.700 0.137 0.000 2.461 1106 N HA 0.005 4.748 4.740 0.004 0.000 0.188 1106 N C 0.337 175.932 175.510 0.141 0.000 1.134 1106 N CA 0.184 53.321 53.050 0.145 0.000 0.878 1106 N CB 0.158 38.719 38.487 0.124 0.000 0.972 1106 N HN -0.091 nan 8.380 nan 0.000 0.456 1107 V N 0.368 120.396 119.914 0.190 0.000 5.889 1107 V HA -0.272 3.850 4.120 0.004 0.000 0.209 1107 V C 0.523 176.647 176.094 0.049 0.000 0.681 1107 V CA 0.276 62.684 62.300 0.179 0.000 0.547 1107 V CB -2.574 29.340 31.823 0.152 0.000 0.309 1107 V HN 0.417 nan 8.190 nan 0.000 0.471 1108 A N 3.792 126.639 122.820 0.045 0.000 2.409 1108 A HA 0.543 4.866 4.320 0.004 0.000 0.262 1108 A C 1.262 178.805 177.584 -0.067 0.000 1.113 1108 A CA -0.333 51.704 52.037 0.000 0.000 0.790 1108 A CB 0.549 19.565 19.000 0.027 0.000 1.046 1108 A HN 0.506 nan 8.150 nan 0.000 0.496 1109 K N 1.413 121.775 120.400 -0.063 0.000 2.062 1109 K HA -0.026 4.296 4.320 0.004 0.000 0.205 1109 K C -0.226 176.333 176.600 -0.069 0.000 1.051 1109 K CA 0.938 57.177 56.287 -0.080 0.000 0.941 1109 K CB -0.097 32.365 32.500 -0.063 0.000 0.719 1109 K HN 0.678 nan 8.250 nan 0.000 0.440 1110 N N 1.933 120.607 118.700 -0.044 0.000 2.678 1110 N HA 0.136 4.879 4.740 0.004 0.000 0.231 1110 N C -0.342 175.154 175.510 -0.023 0.000 1.038 1110 N CA -0.001 53.029 53.050 -0.033 0.000 0.932 1110 N CB 0.523 38.997 38.487 -0.022 0.000 1.176 1110 N HN 0.196 nan 8.380 nan 0.000 0.511 1111 M N -0.466 119.116 119.600 -0.031 0.000 2.300 1111 M HA 0.479 4.962 4.480 0.004 0.000 0.348 1111 M C 0.642 176.935 176.300 -0.011 0.000 1.151 1111 M CA -0.693 54.597 55.300 -0.017 0.000 1.046 1111 M CB 2.014 34.602 32.600 -0.021 0.000 1.647 1111 M HN -0.115 nan 8.290 nan 0.000 0.451 1112 K N 1.204 121.602 120.400 -0.002 0.000 2.103 1112 K HA -0.011 4.311 4.320 0.004 0.000 0.207 1112 K C 0.143 176.746 176.600 0.005 0.000 1.048 1112 K CA 1.407 57.697 56.287 0.005 0.000 0.930 1112 K CB -0.030 32.479 32.500 0.015 0.000 0.716 1112 K HN 0.862 nan 8.250 nan 0.000 0.444 1113 T N 1.681 116.234 114.554 -0.001 0.000 3.317 1113 T HA 0.309 4.661 4.350 0.004 0.000 0.361 1113 T C -2.782 171.917 174.700 -0.001 0.000 1.499 1113 T CA -1.772 60.330 62.100 0.004 0.000 1.529 1113 T CB 1.372 70.244 68.868 0.008 0.000 0.997 1113 T HN -0.158 nan 8.240 nan 0.000 0.624 1114 P HA 0.497 nan 4.420 nan 0.000 0.278 1114 P C -0.461 176.830 177.300 -0.017 0.000 1.238 1114 P CA -0.397 62.688 63.100 -0.025 0.000 0.794 1114 P CB 0.929 32.604 31.700 -0.042 0.000 0.955 1115 S N 3.013 118.699 115.700 -0.024 0.000 2.614 1115 S HA 0.434 4.906 4.470 0.004 0.000 0.275 1115 S C -1.118 173.461 174.600 -0.034 0.000 1.161 1115 S CA -0.706 57.489 58.200 -0.009 0.000 0.969 1115 S CB 0.217 63.434 63.200 0.028 0.000 1.059 1115 S HN 0.154 nan 8.310 nan 0.000 0.482 1116 L N 3.669 124.874 121.223 -0.029 0.000 2.375 1116 L HA 0.597 4.939 4.340 0.004 0.000 0.271 1116 L C 0.126 176.979 176.870 -0.027 0.000 1.107 1116 L CA 0.224 55.040 54.840 -0.041 0.000 0.806 1116 L CB 1.404 43.439 42.059 -0.039 0.000 1.146 1116 L HN 0.842 nan 8.230 nan 0.000 0.447 1117 T N 2.992 117.519 114.554 -0.045 0.000 3.066 1117 T HA 0.475 4.828 4.350 0.004 0.000 0.318 1117 T C -0.525 174.040 174.700 -0.225 0.000 0.979 1117 T CA -0.416 61.631 62.100 -0.089 0.000 1.025 1117 T CB 1.421 70.306 68.868 0.029 0.000 1.002 1117 T HN 0.316 nan 8.240 nan 0.000 0.453 1118 V N 2.037 121.804 119.914 -0.244 0.000 2.555 1118 V HA 0.706 4.828 4.120 0.004 0.000 0.302 1118 V C -1.095 174.851 176.094 -0.248 0.000 1.038 1118 V CA -1.215 60.954 62.300 -0.218 0.000 0.887 1118 V CB 0.904 32.684 31.823 -0.071 0.000 0.991 1118 V HN 0.773 nan 8.190 nan 0.000 0.434 1119 Y N 2.444 122.802 120.300 0.098 0.000 2.457 1119 Y HA 0.692 5.245 4.550 0.004 0.000 0.333 1119 Y C 0.181 176.133 175.900 0.087 0.000 1.119 1119 Y CA -1.017 57.144 58.100 0.102 0.000 1.143 1119 Y CB 1.676 40.206 38.460 0.116 0.000 1.230 1119 Y HN 0.476 nan 8.280 nan 0.000 0.469 1120 L N 1.240 122.627 121.223 0.272 0.000 2.476 1120 L HA 0.102 4.444 4.340 0.004 0.000 0.255 1120 L C 0.450 177.431 176.870 0.184 0.000 1.218 1120 L CA -0.066 54.888 54.840 0.190 0.000 0.819 1120 L CB 0.299 42.468 42.059 0.184 0.000 1.119 1120 L HN 0.606 nan 8.230 nan 0.000 0.485 1121 E N 1.935 122.242 120.200 0.179 0.000 2.376 1121 E HA 0.019 4.371 4.350 0.004 0.000 0.266 1121 E C -1.726 174.948 176.600 0.123 0.000 1.009 1121 E CA -1.283 55.207 56.400 0.151 0.000 0.902 1121 E CB 0.956 30.758 29.700 0.170 0.000 0.972 1121 E HN 0.325 nan 8.360 nan 0.000 0.439 1122 P HA -0.195 nan 4.420 nan 0.000 0.218 1122 P C 1.073 178.369 177.300 -0.006 0.000 1.150 1122 P CA 1.667 64.786 63.100 0.033 0.000 0.841 1122 P CB 0.061 31.767 31.700 0.011 0.000 0.784 1123 G N -1.541 107.224 108.800 -0.059 0.000 2.475 1123 G HA2 -0.182 3.780 3.960 0.004 0.000 0.220 1123 G HA3 -0.182 3.780 3.960 0.004 0.000 0.220 1123 G C 0.600 175.303 174.900 -0.328 0.000 1.125 1123 G CA 0.932 45.909 45.100 -0.206 0.000 0.755 1123 G HN 0.343 nan 8.290 nan 0.000 0.565 1124 H N -1.647 117.447 119.070 0.040 0.000 2.679 1124 H HA 0.642 5.200 4.556 0.004 0.000 0.367 1124 H C 0.490 175.864 175.328 0.076 0.000 1.162 1124 H CA -0.113 55.967 56.048 0.053 0.000 1.181 1124 H CB 2.180 31.974 29.762 0.052 0.000 1.693 1124 H HN 0.118 nan 8.280 nan 0.000 0.538 1125 A N 1.038 123.998 122.820 0.234 0.000 1.848 1125 A HA 0.426 4.748 4.320 0.004 0.000 0.184 1125 A C 1.218 178.963 177.584 0.269 0.000 1.946 1125 A CA 0.680 52.836 52.037 0.198 0.000 1.093 1125 A CB -0.527 18.544 19.000 0.118 0.000 1.014 1125 A HN 0.587 nan 8.150 nan 0.000 0.638 1126 A N 0.117 123.088 122.820 0.251 0.000 2.460 1126 A HA 0.373 4.696 4.320 0.004 0.000 0.258 1126 A C 0.012 177.848 177.584 0.420 0.000 1.300 1126 A CA 0.336 52.590 52.037 0.362 0.000 0.913 1126 A CB -0.451 18.652 19.000 0.171 0.000 1.031 1126 A HN 0.283 nan 8.150 nan 0.000 0.512 1127 D N 1.013 121.573 120.400 0.267 0.000 2.470 1127 D HA 0.206 4.849 4.640 0.004 0.000 0.226 1127 D C 1.404 177.644 176.300 -0.100 0.000 1.196 1127 D CA -0.159 53.904 54.000 0.105 0.000 0.979 1127 D CB 0.671 41.523 40.800 0.086 0.000 1.059 1127 D HN 0.435 nan 8.370 nan 0.000 0.515 1128 Q N 2.362 122.021 119.800 -0.236 0.000 2.135 1128 Q HA -0.213 4.129 4.340 0.004 0.000 0.204 1128 Q C 1.684 177.380 176.000 -0.508 0.000 0.981 1128 Q CA 1.421 56.745 55.803 -0.799 0.000 0.856 1128 Q CB -0.423 27.806 28.738 -0.849 0.000 0.902 1128 Q HN 0.589 nan 8.270 nan 0.000 0.425 1129 E N 0.196 120.225 120.200 -0.284 0.000 2.118 1129 E HA -0.321 4.031 4.350 0.004 0.000 0.195 1129 E C 2.048 178.512 176.600 -0.227 0.000 0.992 1129 E CA 1.406 57.676 56.400 -0.216 0.000 0.804 1129 E CB 0.052 29.673 29.700 -0.132 0.000 0.741 1129 E HN 0.519 nan 8.360 nan 0.000 0.458 1130 Q N 0.509 120.158 119.800 -0.252 0.000 2.020 1130 Q HA -0.154 4.188 4.340 0.004 0.000 0.202 1130 Q C 1.921 177.768 176.000 -0.255 0.000 0.982 1130 Q CA 2.277 57.903 55.803 -0.295 0.000 0.838 1130 Q CB -0.497 27.977 28.738 -0.439 0.000 0.899 1130 Q HN 0.279 nan 8.270 nan 0.000 0.423 1131 A N 0.517 123.165 122.820 -0.286 0.000 1.902 1131 A HA -0.221 4.101 4.320 0.004 0.000 0.217 1131 A C 2.064 179.494 177.584 -0.256 0.000 1.181 1131 A CA 1.759 53.642 52.037 -0.257 0.000 0.623 1131 A CB -0.584 18.216 19.000 -0.333 0.000 0.818 1131 A HN 0.414 nan 8.150 nan 0.000 0.443 1132 K N -0.539 119.676 120.400 -0.309 0.000 2.044 1132 K HA -0.150 4.172 4.320 0.004 0.000 0.210 1132 K C 1.951 178.441 176.600 -0.183 0.000 1.049 1132 K CA 1.567 57.701 56.287 -0.255 0.000 0.927 1132 K CB -0.440 31.912 32.500 -0.246 0.000 0.713 1132 K HN 0.488 nan 8.250 nan 0.000 0.443 1133 L N 0.775 121.899 121.223 -0.165 0.000 1.956 1133 L HA -0.285 4.058 4.340 0.004 0.000 0.216 1133 L C 2.395 179.201 176.870 -0.107 0.000 1.073 1133 L CA 1.674 56.440 54.840 -0.124 0.000 0.762 1133 L CB -0.564 41.423 42.059 -0.121 0.000 0.889 1133 L HN 0.246 nan 8.230 nan 0.000 0.433 1134 I N -0.860 119.644 120.570 -0.111 0.000 2.194 1134 I HA -0.367 3.806 4.170 0.004 0.000 0.246 1134 I C 2.774 178.844 176.117 -0.078 0.000 1.093 1134 I CA 1.311 62.563 61.300 -0.081 0.000 1.355 1134 I CB -0.541 37.416 38.000 -0.072 0.000 1.046 1134 I HN 0.291 nan 8.210 nan 0.000 0.413 1135 R N 1.342 121.777 120.500 -0.108 0.000 2.115 1135 R HA -0.232 4.111 4.340 0.004 0.000 0.239 1135 R C 2.099 178.352 176.300 -0.078 0.000 1.133 1135 R CA 2.345 58.379 56.100 -0.110 0.000 0.935 1135 R CB -0.339 29.852 30.300 -0.181 0.000 0.853 1135 R HN 0.499 nan 8.270 nan 0.000 0.433 1136 S N -1.410 114.240 115.700 -0.084 0.000 2.743 1136 S HA 0.252 4.725 4.470 0.004 0.000 0.230 1136 S C 0.736 175.308 174.600 -0.048 0.000 0.950 1136 S CA 0.154 58.320 58.200 -0.057 0.000 0.976 1136 S CB 1.114 64.277 63.200 -0.061 0.000 0.779 1136 S HN 0.449 nan 8.310 nan 0.000 0.487 1137 A N 0.204 122.997 122.820 -0.045 0.000 2.551 1137 A HA 0.528 4.850 4.320 0.004 0.000 0.252 1137 A C 1.228 178.799 177.584 -0.021 0.000 1.199 1137 A CA -0.201 51.815 52.037 -0.035 0.000 0.972 1137 A CB 0.160 19.137 19.000 -0.039 0.000 1.153 1137 A HN 0.494 nan 8.150 nan 0.000 0.559 1138 I N -0.532 120.029 120.570 -0.016 0.000 3.570 1138 I HA 0.142 4.314 4.170 0.004 0.000 0.270 1138 I C 0.928 177.060 176.117 0.026 0.000 1.162 1138 I CA 0.231 61.532 61.300 0.001 0.000 1.413 1138 I CB -1.111 36.885 38.000 -0.008 0.000 1.437 1138 I HN 0.395 nan 8.210 nan 0.000 0.457 1139 E N 1.861 122.076 120.200 0.025 0.000 2.608 1139 E HA -0.191 4.161 4.350 0.004 0.000 0.259 1139 E C -0.304 176.338 176.600 0.070 0.000 0.951 1139 E CA 0.359 56.794 56.400 0.057 0.000 0.945 1139 E CB 0.225 29.963 29.700 0.064 0.000 0.916 1139 E HN 0.183 nan 8.360 nan 0.000 0.477 1140 H N 2.525 121.594 119.070 -0.003 0.000 2.690 1140 H HA 0.241 4.800 4.556 0.004 0.000 0.314 1140 H C -1.124 174.197 175.328 -0.012 0.000 1.069 1140 H CA 0.047 56.088 56.048 -0.012 0.000 1.436 1140 H CB 0.869 30.622 29.762 -0.014 0.000 1.462 1140 H HN 0.293 nan 8.280 nan 0.000 0.511 1141 T N 5.185 119.480 114.554 -0.433 0.000 2.906 1141 T HA 0.245 4.597 4.350 0.004 0.000 0.302 1141 T C -0.509 173.965 174.700 -0.376 0.000 1.002 1141 T CA -0.931 61.001 62.100 -0.281 0.000 0.988 1141 T CB 0.726 69.502 68.868 -0.154 0.000 0.972 1141 T HN 0.724 nan 8.240 nan 0.000 0.447 1142 T N 1.363 115.771 114.554 -0.243 0.000 2.922 1142 T HA 0.399 4.751 4.350 0.004 0.000 0.285 1142 T C 1.378 176.023 174.700 -0.091 0.000 1.005 1142 T CA -0.946 61.064 62.100 -0.149 0.000 1.061 1142 T CB 1.071 69.921 68.868 -0.030 0.000 1.007 1142 T HN 0.226 nan 8.240 nan 0.000 0.502 1143 L N 1.141 122.320 121.223 -0.072 0.000 2.081 1143 L HA -0.056 4.287 4.340 0.004 0.000 0.212 1143 L C 2.494 179.346 176.870 -0.030 0.000 1.080 1143 L CA 1.851 56.660 54.840 -0.051 0.000 0.754 1143 L CB -1.045 40.994 42.059 -0.034 0.000 0.893 1143 L HN 0.898 nan 8.230 nan 0.000 0.433 1144 K N -0.663 119.726 120.400 -0.017 0.000 2.074 1144 K HA -0.206 4.116 4.320 0.004 0.000 0.209 1144 K C 2.052 178.646 176.600 -0.010 0.000 1.048 1144 K CA 1.774 58.058 56.287 -0.005 0.000 0.926 1144 K CB -0.206 32.298 32.500 0.006 0.000 0.713 1144 K HN 0.631 nan 8.250 nan 0.000 0.444 1145 S N -0.223 115.465 115.700 -0.019 0.000 2.500 1145 S HA -0.068 4.404 4.470 0.004 0.000 0.239 1145 S C 1.307 175.892 174.600 -0.025 0.000 0.989 1145 S CA 0.936 59.123 58.200 -0.022 0.000 0.951 1145 S CB -0.061 63.122 63.200 -0.029 0.000 0.759 1145 S HN 0.203 nan 8.310 nan 0.000 0.523 1146 V N -1.223 118.674 119.914 -0.028 0.000 2.988 1146 V HA 0.404 4.526 4.120 0.004 0.000 0.356 1146 V C -0.170 175.914 176.094 -0.017 0.000 1.380 1146 V CA -0.539 61.745 62.300 -0.027 0.000 1.184 1146 V CB -0.431 31.369 31.823 -0.039 0.000 1.204 1146 V HN 0.245 nan 8.190 nan 0.000 0.530 1147 T N 2.033 116.582 114.554 -0.009 0.000 2.772 1147 T HA 0.534 4.887 4.350 0.004 0.000 0.288 1147 T C 1.070 175.774 174.700 0.006 0.000 0.994 1147 T CA -0.301 61.799 62.100 0.001 0.000 0.951 1147 T CB 2.118 70.989 68.868 0.006 0.000 0.933 1147 T HN -0.030 nan 8.240 nan 0.000 0.447 1148 I N 1.897 122.473 120.570 0.009 0.000 2.163 1148 I HA 0.127 4.300 4.170 0.004 0.000 0.240 1148 I C 1.293 177.422 176.117 0.019 0.000 1.081 1148 I CA 1.067 62.374 61.300 0.013 0.000 1.353 1148 I CB -0.632 37.377 38.000 0.016 0.000 1.054 1148 I HN 0.690 nan 8.210 nan 0.000 0.407 1149 A N 0.058 122.895 122.820 0.028 0.000 2.512 1149 A HA 0.487 4.809 4.320 0.004 0.000 0.294 1149 A C -0.113 177.501 177.584 0.050 0.000 1.054 1149 A CA -0.436 51.623 52.037 0.037 0.000 0.756 1149 A CB 0.912 19.938 19.000 0.043 0.000 1.293 1149 A HN 0.211 nan 8.150 nan 0.000 0.395 1150 S N 1.730 117.459 115.700 0.049 0.000 2.585 1150 S HA 0.838 5.311 4.470 0.004 0.000 0.277 1150 S C -0.464 174.187 174.600 0.085 0.000 1.241 1150 S CA -0.080 58.157 58.200 0.062 0.000 1.041 1150 S CB 1.024 64.253 63.200 0.048 0.000 0.987 1150 S HN 1.097 nan 8.310 nan 0.000 0.512 1151 E N 1.055 121.333 120.200 0.130 0.000 2.378 1151 E HA 0.487 4.839 4.350 0.004 0.000 0.283 1151 E C -1.710 175.055 176.600 0.275 0.000 0.979 1151 E CA -0.864 55.647 56.400 0.185 0.000 0.795 1151 E CB 0.775 30.643 29.700 0.279 0.000 1.221 1151 E HN 0.502 nan 8.360 nan 0.000 0.428 1152 I N 2.174 122.856 120.570 0.187 0.000 2.385 1152 I HA 0.372 4.544 4.170 0.004 0.000 0.294 1152 I C -1.006 175.287 176.117 0.294 0.000 0.988 1152 I CA -0.363 61.077 61.300 0.232 0.000 1.265 1152 I CB 0.614 38.643 38.000 0.049 0.000 1.388 1152 I HN 0.451 nan 8.210 nan 0.000 0.480 1153 Y N 3.981 124.398 120.300 0.195 0.000 2.605 1153 Y HA 0.346 4.898 4.550 0.004 0.000 0.343 1153 Y C -0.863 175.264 175.900 0.378 0.000 1.036 1153 Y CA -1.065 57.176 58.100 0.235 0.000 1.065 1153 Y CB 1.231 39.770 38.460 0.132 0.000 1.288 1153 Y HN 0.372 nan 8.280 nan 0.000 0.481 1154 Y N 2.015 122.511 120.300 0.326 0.000 2.676 1154 Y HA 0.358 4.910 4.550 0.004 0.000 0.338 1154 Y C -0.839 175.067 175.900 0.009 0.000 1.057 1154 Y CA -0.649 57.471 58.100 0.033 0.000 1.314 1154 Y CB 0.117 38.478 38.460 -0.164 0.000 1.164 1154 Y HN 0.536 nan 8.280 nan 0.000 0.509 1155 D N 7.668 127.940 120.400 -0.213 0.000 2.427 1155 D HA 0.289 4.932 4.640 0.004 0.000 0.226 1155 D C -2.018 174.033 176.300 -0.415 0.000 1.076 1155 D CA -2.227 51.656 54.000 -0.195 0.000 0.849 1155 D CB 1.712 42.461 40.800 -0.084 0.000 1.052 1155 D HN 0.279 nan 8.370 nan 0.000 0.515 1156 P HA 0.054 nan 4.420 nan 0.000 0.214 1156 P C 0.008 177.182 177.300 -0.209 0.000 1.152 1156 P CA 0.094 62.961 63.100 -0.388 0.000 0.874 1156 P CB 0.262 31.836 31.700 -0.210 0.000 0.782 1157 D N 0.630 120.951 120.400 -0.132 0.000 2.346 1157 D HA 0.067 4.709 4.640 0.004 0.000 0.260 1157 D C -1.565 174.666 176.300 -0.115 0.000 1.252 1157 D CA -1.918 52.021 54.000 -0.102 0.000 0.895 1157 D CB 0.781 41.541 40.800 -0.066 0.000 1.097 1157 D HN -0.004 nan 8.370 nan 0.000 0.489 1158 P HA -0.060 nan 4.420 nan 0.000 0.217 1158 P C 1.233 178.457 177.300 -0.126 0.000 1.151 1158 P CA 0.788 63.800 63.100 -0.146 0.000 0.828 1158 P CB 0.358 31.953 31.700 -0.176 0.000 0.788 1159 R N -0.607 119.831 120.500 -0.105 0.000 2.119 1159 R HA 0.152 4.494 4.340 0.004 0.000 0.222 1159 R C 0.444 176.701 176.300 -0.071 0.000 1.088 1159 R CA 0.844 56.894 56.100 -0.084 0.000 0.984 1159 R CB -0.642 29.617 30.300 -0.069 0.000 0.884 1159 R HN 0.133 nan 8.270 nan 0.000 0.447 1160 S N 1.191 116.851 115.700 -0.066 0.000 2.667 1160 S HA 0.240 4.712 4.470 0.004 0.000 0.304 1160 S C -0.424 174.145 174.600 -0.052 0.000 1.135 1160 S CA -0.388 57.780 58.200 -0.053 0.000 1.125 1160 S CB 2.175 65.350 63.200 -0.041 0.000 0.996 1160 S HN 0.013 nan 8.310 nan 0.000 0.474 1161 T N 2.352 116.874 114.554 -0.053 0.000 2.913 1161 T HA 0.146 4.498 4.350 0.004 0.000 0.297 1161 T C 1.643 176.329 174.700 -0.023 0.000 1.029 1161 T CA -0.407 61.664 62.100 -0.050 0.000 1.104 1161 T CB 1.072 69.901 68.868 -0.066 0.000 0.964 1161 T HN 0.329 nan 8.240 nan 0.000 0.532 1162 V N 2.860 122.775 119.914 0.001 0.000 2.871 1162 V HA 0.033 4.156 4.120 0.004 0.000 0.256 1162 V C 1.061 177.181 176.094 0.044 0.000 1.082 1162 V CA 0.970 63.291 62.300 0.036 0.000 1.105 1162 V CB -0.592 31.280 31.823 0.080 0.000 0.713 1162 V HN 0.706 nan 8.190 nan 0.000 0.473 1163 I N 1.719 122.302 120.570 0.021 0.000 2.496 1163 I HA 0.111 4.283 4.170 0.004 0.000 0.285 1163 I C -1.176 174.941 176.117 0.000 0.000 1.080 1163 I CA -1.236 60.073 61.300 0.015 0.000 1.404 1163 I CB 0.810 38.772 38.000 -0.063 0.000 1.403 1163 I HN 0.092 nan 8.210 nan 0.000 0.539 1164 P HA -0.029 nan 4.420 nan 0.000 0.227 1164 P C 0.905 178.205 177.300 -0.000 0.000 1.161 1164 P CA 0.818 63.922 63.100 0.007 0.000 0.788 1164 P CB 0.217 31.927 31.700 0.016 0.000 0.822 1165 E N -0.005 120.195 120.200 0.000 0.000 2.150 1165 E HA -0.081 4.272 4.350 0.004 0.000 0.193 1165 E C -0.138 176.453 176.600 -0.015 0.000 0.985 1165 E CA 0.758 57.156 56.400 -0.003 0.000 0.814 1165 E CB -0.285 29.416 29.700 0.002 0.000 0.752 1165 E HN 0.376 nan 8.360 nan 0.000 0.466 1166 D N 0.620 121.002 120.400 -0.029 0.000 2.485 1166 D HA 0.041 4.684 4.640 0.004 0.000 0.229 1166 D C 0.338 176.617 176.300 -0.035 0.000 1.101 1166 D CA 0.060 54.039 54.000 -0.036 0.000 0.906 1166 D CB 1.312 42.080 40.800 -0.054 0.000 1.019 1166 D HN 0.178 nan 8.370 nan 0.000 0.516 1167 E N 2.176 122.359 120.200 -0.028 0.000 2.094 1167 E HA -0.059 4.293 4.350 0.004 0.000 0.193 1167 E C 0.130 176.707 176.600 -0.039 0.000 0.950 1167 E CA 0.073 56.455 56.400 -0.030 0.000 0.842 1167 E CB 0.480 30.166 29.700 -0.023 0.000 0.816 1167 E HN 0.389 nan 8.360 nan 0.000 0.465 1168 E N 0.006 120.184 120.200 -0.037 0.000 2.092 1168 E HA 0.311 4.663 4.350 0.004 0.000 0.271 1168 E C -0.304 176.271 176.600 -0.042 0.000 0.919 1168 E CA -0.132 56.240 56.400 -0.046 0.000 0.760 1168 E CB 1.125 30.798 29.700 -0.044 0.000 1.106 1168 E HN 0.348 nan 8.360 nan 0.000 0.408 1169 I N 3.980 124.519 120.570 -0.051 0.000 5.154 1169 I HA 0.127 4.300 4.170 0.004 0.000 0.321 1169 I C 0.807 176.891 176.117 -0.055 0.000 1.120 1169 I CA 0.123 61.393 61.300 -0.051 0.000 1.524 1169 I CB 0.396 38.367 38.000 -0.048 0.000 1.880 1169 I HN 0.776 nan 8.210 nan 0.000 0.588 1170 I N 0.014 120.549 120.570 -0.058 0.000 5.373 1170 I HA -0.376 3.796 4.170 0.004 0.000 0.144 1170 I C 1.233 177.311 176.117 -0.065 0.000 1.803 1170 I CA 1.189 62.452 61.300 -0.062 0.000 1.421 1170 I CB -0.655 37.310 38.000 -0.058 0.000 3.267 1170 I HN 0.471 nan 8.210 nan 0.000 0.200 1171 Q N -0.826 118.929 119.800 -0.076 0.000 1.671 1171 Q HA 0.226 4.569 4.340 0.004 0.000 0.177 1171 Q C 0.730 176.625 176.000 -0.175 0.000 0.680 1171 Q CA 1.042 56.782 55.803 -0.106 0.000 0.748 1171 Q CB 0.958 29.648 28.738 -0.081 0.000 1.198 1171 Q HN 0.621 nan 8.270 nan 0.000 0.387 1172 L N -1.361 119.769 121.223 -0.155 0.000 3.383 1172 L HA 0.316 4.658 4.340 0.004 0.000 0.169 1172 L C 1.754 178.529 176.870 -0.158 0.000 1.161 1172 L CA 1.546 56.237 54.840 -0.249 0.000 0.847 1172 L CB -0.321 41.662 42.059 -0.126 0.000 1.514 1172 L HN 0.205 nan 8.230 nan 0.000 0.582 1173 H N 0.780 119.777 119.070 -0.121 0.000 5.020 1173 H HA -0.377 4.181 4.556 0.004 0.000 0.111 1173 H C 0.235 175.612 175.328 0.081 0.000 0.583 1173 H CA 1.998 58.006 56.048 -0.066 0.000 1.280 1173 H CB -1.051 28.666 29.762 -0.075 0.000 1.285 1173 H HN 0.462 nan 8.280 nan 0.000 0.720 1174 F N -0.346 119.495 119.950 -0.183 0.000 2.797 1174 F HA -0.236 4.293 4.527 0.004 0.000 0.273 1174 F C 1.269 176.850 175.800 -0.365 0.000 1.020 1174 F CA 1.051 58.926 58.000 -0.209 0.000 0.961 1174 F CB -1.758 37.142 39.000 -0.168 0.000 1.020 1174 F HN 0.467 nan 8.300 nan 0.000 0.840 1175 S N -1.111 114.563 115.700 -0.043 0.000 2.558 1175 S HA 0.096 4.568 4.470 0.004 0.000 0.217 1175 S C 1.280 175.938 174.600 0.097 0.000 0.975 1175 S CA 0.385 58.613 58.200 0.046 0.000 0.912 1175 S CB -0.164 63.349 63.200 0.522 0.000 0.776 1175 S HN 0.570 nan 8.310 nan 0.000 0.526 1176 L N -0.685 120.614 121.223 0.126 0.000 2.777 1176 L HA 0.426 4.768 4.340 0.004 0.000 0.244 1176 L C 1.183 178.089 176.870 0.059 0.000 1.235 1176 L CA 0.037 54.935 54.840 0.097 0.000 1.062 1176 L CB -0.404 41.726 42.059 0.119 0.000 1.340 1176 L HN 0.090 nan 8.230 nan 0.000 0.439 1177 L N 0.185 121.421 121.223 0.021 0.000 2.607 1177 L HA 0.179 4.521 4.340 0.004 0.000 0.228 1177 L C 1.190 178.047 176.870 -0.021 0.000 1.123 1177 L CA 0.889 55.706 54.840 -0.038 0.000 0.890 1177 L CB -0.424 41.580 42.059 -0.092 0.000 1.103 1177 L HN 0.539 nan 8.230 nan 0.000 0.468 1178 D N -0.058 120.345 120.400 0.005 0.000 2.844 1178 D HA 0.016 4.658 4.640 0.004 0.000 0.271 1178 D C 0.606 176.910 176.300 0.006 0.000 1.386 1178 D CA 0.132 54.138 54.000 0.009 0.000 1.053 1178 D CB 0.442 41.259 40.800 0.028 0.000 1.107 1178 D HN 0.385 nan 8.370 nan 0.000 0.395 1188 Q N -1.177 118.585 119.800 -0.063 0.000 2.721 1188 Q HA 0.667 5.009 4.340 0.004 0.000 0.359 1188 Q C -1.696 174.258 176.000 -0.077 0.000 0.707 1188 Q CA -0.053 55.693 55.803 -0.095 0.000 0.900 1188 Q CB 1.703 30.382 28.738 -0.098 0.000 1.200 1188 Q HN 0.077 nan 8.270 nan 0.000 0.504 1189 S N -0.420 115.225 115.700 -0.092 0.000 2.579 1189 S HA 0.381 4.853 4.470 0.004 0.000 0.290 1189 S C -2.578 171.945 174.600 -0.129 0.000 1.123 1189 S CA -0.787 57.373 58.200 -0.067 0.000 0.894 1189 S CB 1.296 64.479 63.200 -0.028 0.000 1.095 1189 S HN 0.473 nan 8.310 nan 0.000 0.450 1190 P HA 0.221 nan 4.420 nan 0.000 0.215 1190 P C -0.185 176.838 177.300 -0.462 0.000 1.157 1190 P CA 0.627 63.496 63.100 -0.386 0.000 0.869 1190 P CB 0.032 31.476 31.700 -0.427 0.000 0.781 1191 W N 0.526 121.736 121.300 -0.150 0.000 2.316 1191 W HA 0.510 5.172 4.660 0.004 0.000 0.321 1191 W C 0.310 176.791 176.519 -0.064 0.000 1.203 1191 W CA -0.623 56.664 57.345 -0.097 0.000 1.214 1191 W CB 0.621 30.069 29.460 -0.020 0.000 1.169 1191 W HN -0.129 nan 8.180 nan 0.000 0.561 1192 L N 4.451 125.837 121.223 0.272 0.000 2.319 1192 L HA 0.763 5.106 4.340 0.004 0.000 0.267 1192 L C -1.354 175.627 176.870 0.185 0.000 1.011 1192 L CA -1.229 53.705 54.840 0.156 0.000 0.818 1192 L CB 1.516 43.618 42.059 0.072 0.000 1.316 1192 L HN 0.397 nan 8.230 nan 0.000 0.432 1193 L N 3.215 124.502 121.223 0.107 0.000 2.471 1193 L HA 0.557 4.900 4.340 0.004 0.000 0.263 1193 L C -0.681 176.227 176.870 0.063 0.000 0.985 1193 L CA -0.152 54.750 54.840 0.103 0.000 0.868 1193 L CB 1.287 43.384 42.059 0.063 0.000 1.203 1193 L HN 0.698 nan 8.230 nan 0.000 0.429 1194 R N 3.471 124.009 120.500 0.065 0.000 2.577 1194 R HA 0.775 5.118 4.340 0.004 0.000 0.269 1194 R C -1.291 175.035 176.300 0.044 0.000 1.084 1194 R CA -0.415 55.684 56.100 -0.001 0.000 1.163 1194 R CB 0.833 31.061 30.300 -0.120 0.000 1.100 1194 R HN 0.790 nan 8.270 nan 0.000 0.547 1195 L N 2.116 123.357 121.223 0.029 0.000 2.555 1195 L HA 0.282 4.624 4.340 0.004 0.000 0.264 1195 L C -0.938 175.950 176.870 0.029 0.000 0.972 1195 L CA -0.368 54.493 54.840 0.037 0.000 0.876 1195 L CB 1.959 44.039 42.059 0.035 0.000 1.216 1195 L HN 0.688 nan 8.230 nan 0.000 0.415 1196 E N 3.436 123.656 120.200 0.033 0.000 2.313 1196 E HA 0.542 4.894 4.350 0.004 0.000 0.276 1196 E C -1.240 175.371 176.600 0.018 0.000 1.031 1196 E CA -0.411 56.005 56.400 0.027 0.000 0.857 1196 E CB 1.174 30.894 29.700 0.033 0.000 1.040 1196 E HN 0.418 nan 8.360 nan 0.000 0.408 1197 L N 3.101 124.331 121.223 0.013 0.000 2.333 1197 L HA 0.314 4.657 4.340 0.004 0.000 0.269 1197 L C -0.655 176.217 176.870 0.003 0.000 1.010 1197 L CA -1.211 53.631 54.840 0.003 0.000 0.818 1197 L CB 1.627 43.682 42.059 -0.006 0.000 1.306 1197 L HN 0.572 nan 8.230 nan 0.000 0.430 1198 D N 0.941 121.340 120.400 -0.003 0.000 2.339 1198 D HA 0.071 4.713 4.640 0.004 0.000 0.241 1198 D C 0.768 177.065 176.300 -0.004 0.000 1.183 1198 D CA -0.630 53.368 54.000 -0.002 0.000 0.859 1198 D CB 1.160 41.956 40.800 -0.006 0.000 1.067 1198 D HN 0.289 nan 8.370 nan 0.000 0.484 1199 R N 2.831 123.331 120.500 -0.000 0.000 2.261 1199 R HA -0.147 4.195 4.340 0.004 0.000 0.236 1199 R C 1.635 177.933 176.300 -0.003 0.000 1.141 1199 R CA 1.594 57.694 56.100 0.000 0.000 1.001 1199 R CB -0.645 29.658 30.300 0.004 0.000 0.866 1199 R HN 0.584 nan 8.270 nan 0.000 0.468 1200 A N -0.160 122.658 122.820 -0.004 0.000 1.841 1200 A HA 0.060 4.383 4.320 0.004 0.000 0.214 1200 A C 2.089 179.668 177.584 -0.009 0.000 1.195 1200 A CA 1.390 53.423 52.037 -0.006 0.000 0.611 1200 A CB -0.891 18.104 19.000 -0.008 0.000 0.835 1200 A HN 0.384 nan 8.150 nan 0.000 0.443 1201 A N -1.241 121.571 122.820 -0.014 0.000 2.259 1201 A HA 0.294 4.617 4.320 0.004 0.000 0.208 1201 A C 1.505 179.078 177.584 -0.018 0.000 1.201 1201 A CA 0.535 52.561 52.037 -0.018 0.000 0.824 1201 A CB -0.369 18.616 19.000 -0.025 0.000 0.838 1201 A HN 0.406 nan 8.150 nan 0.000 0.485 1202 M N -0.536 119.054 119.600 -0.015 0.000 2.495 1202 M HA 0.127 4.610 4.480 0.004 0.000 0.237 1202 M C 0.698 176.991 176.300 -0.012 0.000 1.131 1202 M CA 0.479 55.769 55.300 -0.018 0.000 1.032 1202 M CB -0.950 31.640 32.600 -0.017 0.000 1.513 1202 M HN 0.302 nan 8.290 nan 0.000 0.488 1203 N N 1.080 119.777 118.700 -0.006 0.000 2.420 1203 N HA -0.033 4.709 4.740 0.004 0.000 0.185 1203 N C 1.155 176.668 175.510 0.006 0.000 1.033 1203 N CA 0.888 53.937 53.050 -0.001 0.000 0.879 1203 N CB -0.112 38.376 38.487 0.002 0.000 1.071 1203 N HN 0.127 nan 8.380 nan 0.000 0.437 1204 D N 1.251 121.659 120.400 0.014 0.000 2.088 1204 D HA -0.034 4.609 4.640 0.004 0.000 0.196 1204 D C 0.195 176.525 176.300 0.051 0.000 0.983 1204 D CA 1.344 55.369 54.000 0.043 0.000 0.846 1204 D CB -0.184 40.639 40.800 0.039 0.000 0.992 1204 D HN 0.122 nan 8.370 nan 0.000 0.448 1205 K N 1.466 121.887 120.400 0.035 0.000 2.412 1205 K HA 0.103 4.425 4.320 0.004 0.000 0.281 1205 K C -0.782 175.814 176.600 -0.006 0.000 1.027 1205 K CA -0.076 56.224 56.287 0.022 0.000 0.989 1205 K CB 0.522 33.021 32.500 -0.001 0.000 0.935 1205 K HN 0.029 nan 8.250 nan 0.000 0.475 1206 D N 3.509 123.899 120.400 -0.017 0.000 2.338 1206 D HA 0.232 4.874 4.640 0.004 0.000 0.255 1206 D C -0.484 175.792 176.300 -0.039 0.000 1.237 1206 D CA 0.243 54.225 54.000 -0.029 0.000 0.883 1206 D CB 0.284 41.062 40.800 -0.036 0.000 1.087 1206 D HN 0.235 nan 8.370 nan 0.000 0.485 1207 L N 1.500 122.699 121.223 -0.041 0.000 2.506 1207 L HA 0.436 4.779 4.340 0.004 0.000 0.257 1207 L C -0.239 176.600 176.870 -0.053 0.000 0.964 1207 L CA -0.736 54.071 54.840 -0.055 0.000 0.836 1207 L CB 2.537 44.558 42.059 -0.062 0.000 1.384 1207 L HN 0.293 nan 8.230 nan 0.000 0.410 1208 T N -1.917 112.596 114.554 -0.068 0.000 2.908 1208 T HA 0.408 4.761 4.350 0.004 0.000 0.290 1208 T C 1.003 175.634 174.700 -0.115 0.000 1.034 1208 T CA -0.928 61.134 62.100 -0.063 0.000 1.010 1208 T CB 1.964 70.807 68.868 -0.041 0.000 1.068 1208 T HN 0.394 nan 8.240 nan 0.000 0.481 1209 M N 1.358 120.895 119.600 -0.105 0.000 2.082 1209 M HA -0.059 4.423 4.480 0.004 0.000 0.258 1209 M C 2.525 178.529 176.300 -0.493 0.000 1.069 1209 M CA 2.364 57.534 55.300 -0.217 0.000 1.102 1209 M CB -1.862 30.705 32.600 -0.054 0.000 1.336 1209 M HN 1.003 nan 8.290 nan 0.000 0.404 1210 G N -0.565 108.050 108.800 -0.308 0.000 2.545 1210 G HA2 -0.306 3.657 3.960 0.004 0.000 0.217 1210 G HA3 -0.306 3.657 3.960 0.004 0.000 0.217 1210 G C 1.377 176.052 174.900 -0.375 0.000 1.218 1210 G CA 1.114 46.028 45.100 -0.310 0.000 0.787 1210 G HN 0.557 nan 8.290 nan 0.000 0.571 1211 Q N -0.309 119.366 119.800 -0.208 0.000 2.197 1211 Q HA -0.166 4.176 4.340 0.004 0.000 0.211 1211 Q C 2.738 178.601 176.000 -0.228 0.000 0.993 1211 Q CA 1.753 57.453 55.803 -0.172 0.000 0.883 1211 Q CB -0.192 28.477 28.738 -0.115 0.000 0.916 1211 Q HN 0.385 nan 8.270 nan 0.000 0.418 1212 V N -0.340 119.396 119.914 -0.297 0.000 2.216 1212 V HA -0.238 3.884 4.120 0.004 0.000 0.243 1212 V C 2.289 178.146 176.094 -0.395 0.000 1.044 1212 V CA 2.038 64.158 62.300 -0.301 0.000 0.995 1212 V CB -1.408 30.238 31.823 -0.295 0.000 0.633 1212 V HN 0.636 nan 8.190 nan 0.000 0.446 1213 G N -0.627 107.726 108.800 -0.745 0.000 2.505 1213 G HA2 -0.373 3.589 3.960 0.004 0.000 0.220 1213 G HA3 -0.373 3.589 3.960 0.004 0.000 0.220 1213 G C 1.504 176.120 174.900 -0.474 0.000 1.145 1213 G CA 1.422 45.940 45.100 -0.971 0.000 0.761 1213 G HN 0.534 nan 8.290 nan 0.000 0.571 1214 E N 0.485 120.466 120.200 -0.365 0.000 2.017 1214 E HA -0.097 4.255 4.350 0.004 0.000 0.193 1214 E C 2.528 179.076 176.600 -0.087 0.000 0.997 1214 E CA 1.050 57.376 56.400 -0.123 0.000 0.804 1214 E CB -0.338 29.316 29.700 -0.077 0.000 0.757 1214 E HN 0.256 nan 8.360 nan 0.000 0.448 1215 R N 0.045 120.474 120.500 -0.119 0.000 2.193 1215 R HA 0.001 4.344 4.340 0.004 0.000 0.229 1215 R C 2.071 178.316 176.300 -0.091 0.000 1.110 1215 R CA 0.992 57.032 56.100 -0.099 0.000 0.988 1215 R CB -0.472 29.762 30.300 -0.111 0.000 0.871 1215 R HN 0.337 nan 8.270 nan 0.000 0.458 1216 I N -0.200 120.332 120.570 -0.064 0.000 2.110 1216 I HA -0.257 3.915 4.170 0.004 0.000 0.236 1216 I C 2.403 178.618 176.117 0.162 0.000 1.068 1216 I CA 1.358 62.688 61.300 0.051 0.000 1.333 1216 I CB -0.415 37.647 38.000 0.103 0.000 1.054 1216 I HN 0.147 nan 8.210 nan 0.000 0.402 1217 K N 0.969 121.467 120.400 0.164 0.000 2.009 1217 K HA -0.252 4.070 4.320 0.004 0.000 0.210 1217 K C 2.160 178.846 176.600 0.143 0.000 1.049 1217 K CA 1.748 58.166 56.287 0.220 0.000 0.929 1217 K CB -0.182 32.405 32.500 0.145 0.000 0.714 1217 K HN 0.309 nan 8.250 nan 0.000 0.440 1218 Q N -0.399 119.428 119.800 0.045 0.000 2.404 1218 Q HA -0.179 4.163 4.340 0.004 0.000 0.214 1218 Q C 1.655 177.619 176.000 -0.059 0.000 0.992 1218 Q CA 1.901 57.702 55.803 -0.003 0.000 0.899 1218 Q CB -0.068 28.653 28.738 -0.028 0.000 0.921 1218 Q HN 0.450 nan 8.270 nan 0.000 0.453 1219 T N -0.444 114.017 114.554 -0.154 0.000 2.814 1219 T HA -0.030 4.322 4.350 0.004 0.000 0.254 1219 T C 1.223 175.711 174.700 -0.354 0.000 1.037 1219 T CA 0.963 62.837 62.100 -0.377 0.000 1.143 1219 T CB -0.156 68.245 68.868 -0.778 0.000 0.866 1219 T HN 0.240 nan 8.240 nan 0.000 0.431 1220 F N 1.132 121.089 119.950 0.012 0.000 2.387 1220 F HA 0.395 4.925 4.527 0.004 0.000 0.294 1220 F C 1.159 176.973 175.800 0.023 0.000 1.093 1220 F CA -0.289 57.722 58.000 0.019 0.000 1.420 1220 F CB -0.385 38.630 39.000 0.026 0.000 1.086 1220 F HN 0.024 nan 8.300 nan 0.000 0.531 1221 K N -0.536 119.995 120.400 0.219 0.000 4.614 1221 K HA -0.259 4.063 4.320 0.004 0.000 0.606 1221 K C -0.428 176.261 176.600 0.149 0.000 1.844 1221 K CA 0.628 56.999 56.287 0.140 0.000 1.063 1221 K CB -1.237 31.320 32.500 0.094 0.000 1.763 1221 K HN 0.097 nan 8.250 nan 0.000 0.391 1222 N N 2.516 121.282 118.700 0.109 0.000 3.254 1222 N HA 0.012 4.755 4.740 0.004 0.000 0.308 1222 N C -0.956 174.609 175.510 0.092 0.000 1.281 1222 N CA 0.378 53.487 53.050 0.098 0.000 1.212 1222 N CB -0.179 38.356 38.487 0.081 0.000 1.478 1222 N HN 0.347 nan 8.380 nan 0.000 0.548 1223 D N 0.855 121.312 120.400 0.095 0.000 3.118 1223 D HA 0.091 4.733 4.640 0.004 0.000 0.352 1223 D C -0.414 175.889 176.300 0.006 0.000 1.498 1223 D CA -0.320 53.717 54.000 0.063 0.000 0.759 1223 D CB -0.434 40.409 40.800 0.072 0.000 1.251 1223 D HN 0.262 nan 8.370 nan 0.000 0.504 1224 L N -2.213 119.020 121.223 0.017 0.000 3.481 1224 L HA 0.483 4.825 4.340 0.004 0.000 0.267 1224 L C -1.938 174.970 176.870 0.063 0.000 0.972 1224 L CA -0.995 53.834 54.840 -0.019 0.000 1.150 1224 L CB 0.847 42.771 42.059 -0.225 0.000 1.902 1224 L HN -0.157 nan 8.230 nan 0.000 0.561 1225 F N 4.421 124.350 119.950 -0.036 0.000 2.506 1225 F HA 0.671 5.200 4.527 0.004 0.000 0.351 1225 F C -0.135 175.663 175.800 -0.004 0.000 1.136 1225 F CA 0.617 58.606 58.000 -0.019 0.000 1.298 1225 F CB 1.379 40.348 39.000 -0.051 0.000 1.145 1225 F HN 0.325 nan 8.300 nan 0.000 0.593 1226 V N 6.909 126.551 119.914 -0.453 0.000 2.655 1226 V HA 0.386 4.508 4.120 0.004 0.000 0.301 1226 V C -0.270 175.684 176.094 -0.234 0.000 1.082 1226 V CA -0.778 61.450 62.300 -0.121 0.000 0.899 1226 V CB 1.302 33.201 31.823 0.127 0.000 1.014 1226 V HN 0.598 nan 8.190 nan 0.000 0.429 1227 I N 3.139 123.660 120.570 -0.081 0.000 3.217 1227 I HA 0.927 5.099 4.170 0.004 0.000 0.308 1227 I C -0.496 175.701 176.117 0.133 0.000 1.091 1227 I CA -0.708 60.425 61.300 -0.278 0.000 1.013 1227 I CB 2.068 39.941 38.000 -0.212 0.000 1.250 1227 I HN 0.833 nan 8.210 nan 0.000 0.496 1228 W N -0.269 121.007 121.300 -0.040 0.000 3.002 1228 W HA 0.672 5.334 4.660 0.004 0.000 0.346 1228 W C -1.525 174.991 176.519 -0.005 0.000 1.158 1228 W CA -0.662 56.669 57.345 -0.023 0.000 1.150 1228 W CB -0.063 29.384 29.460 -0.022 0.000 1.446 1228 W HN 0.316 nan 8.180 nan 0.000 0.564 1229 S N -0.098 115.761 115.700 0.264 0.000 2.590 1229 S HA 0.501 4.974 4.470 0.004 0.000 0.282 1229 S C -1.046 173.694 174.600 0.233 0.000 1.136 1229 S CA -0.664 57.628 58.200 0.154 0.000 1.030 1229 S CB 1.194 64.449 63.200 0.092 0.000 1.195 1229 S HN 0.509 nan 8.310 nan 0.000 0.506 1230 E N -0.229 120.054 120.200 0.138 0.000 2.227 1230 E HA 0.233 4.585 4.350 0.004 0.000 0.268 1230 E C -0.405 176.245 176.600 0.083 0.000 0.907 1230 E CA -0.608 55.869 56.400 0.128 0.000 0.786 1230 E CB 1.018 30.774 29.700 0.093 0.000 1.191 1230 E HN 0.386 nan 8.360 nan 0.000 0.411 1231 D N 2.290 122.731 120.400 0.068 0.000 2.203 1231 D HA -0.194 4.448 4.640 0.004 0.000 0.199 1231 D C 1.024 177.344 176.300 0.033 0.000 0.997 1231 D CA 1.111 55.135 54.000 0.040 0.000 0.863 1231 D CB -0.014 40.802 40.800 0.027 0.000 0.928 1231 D HN 0.379 nan 8.370 nan 0.000 0.458 1232 N N 0.911 119.633 118.700 0.035 0.000 2.149 1232 N HA -0.098 4.644 4.740 0.004 0.000 0.188 1232 N C 0.157 175.683 175.510 0.025 0.000 1.019 1232 N CA 0.729 53.795 53.050 0.027 0.000 0.857 1232 N CB -0.419 38.084 38.487 0.028 0.000 0.997 1232 N HN 0.260 nan 8.380 nan 0.000 0.426 1233 D N 0.052 120.470 120.400 0.031 0.000 2.370 1233 D HA -0.054 4.589 4.640 0.004 0.000 0.235 1233 D C 1.261 177.574 176.300 0.022 0.000 1.228 1233 D CA 0.253 54.269 54.000 0.026 0.000 0.884 1233 D CB 0.653 41.472 40.800 0.033 0.000 1.201 1233 D HN 0.160 nan 8.370 nan 0.000 0.456 1234 E N 0.040 120.251 120.200 0.018 0.000 2.170 1234 E HA -0.061 4.292 4.350 0.004 0.000 0.191 1234 E C 0.063 176.673 176.600 0.017 0.000 0.981 1234 E CA 0.461 56.870 56.400 0.015 0.000 0.830 1234 E CB 0.325 30.032 29.700 0.012 0.000 0.775 1234 E HN 0.157 nan 8.360 nan 0.000 0.470 1235 K N 1.176 121.587 120.400 0.019 0.000 2.367 1235 K HA 0.299 4.622 4.320 0.004 0.000 0.263 1235 K C -1.128 175.488 176.600 0.028 0.000 1.000 1235 K CA -0.337 55.962 56.287 0.020 0.000 0.891 1235 K CB 0.879 33.388 32.500 0.016 0.000 1.117 1235 K HN -0.012 nan 8.250 nan 0.000 0.443 1236 L N 6.708 127.948 121.223 0.028 0.000 2.290 1236 L HA 0.487 4.830 4.340 0.004 0.000 0.284 1236 L C -0.346 176.547 176.870 0.039 0.000 1.078 1236 L CA -0.455 54.408 54.840 0.038 0.000 0.815 1236 L CB 0.426 42.499 42.059 0.025 0.000 1.162 1236 L HN 0.535 nan 8.230 nan 0.000 0.435 1237 I N 3.401 124.008 120.570 0.062 0.000 2.841 1237 I HA 0.488 4.660 4.170 0.004 0.000 0.298 1237 I C -0.966 175.213 176.117 0.103 0.000 1.304 1237 I CA -0.744 60.590 61.300 0.057 0.000 1.019 1237 I CB 2.488 40.505 38.000 0.028 0.000 1.282 1237 I HN 0.238 nan 8.210 nan 0.000 0.432 1238 I N 3.079 123.699 120.570 0.082 0.000 2.603 1238 I HA 0.612 4.785 4.170 0.004 0.000 0.300 1238 I C -0.364 175.797 176.117 0.073 0.000 1.017 1238 I CA -0.798 60.574 61.300 0.120 0.000 1.098 1238 I CB 1.882 39.933 38.000 0.085 0.000 1.279 1238 I HN 0.626 nan 8.210 nan 0.000 0.437 1239 R N 3.410 123.962 120.500 0.087 0.000 2.574 1239 R HA 0.753 5.096 4.340 0.004 0.000 0.288 1239 R C -1.607 174.730 176.300 0.062 0.000 1.004 1239 R CA -0.452 55.672 56.100 0.040 0.000 0.895 1239 R CB 2.146 32.451 30.300 0.008 0.000 1.191 1239 R HN 0.656 nan 8.270 nan 0.000 0.444 1240 C N 1.260 120.588 119.300 0.045 0.000 3.090 1240 C HA 0.653 5.116 4.460 0.004 0.000 0.305 1240 C C -0.642 174.369 174.990 0.035 0.000 1.292 1240 C CA -0.984 58.056 59.018 0.038 0.000 1.482 1240 C CB 2.288 30.023 27.740 -0.007 0.000 1.897 1240 C HN 0.798 nan 8.230 nan 0.000 0.469 1241 R N 0.949 121.469 120.500 0.033 0.000 2.542 1241 R HA 0.432 4.775 4.340 0.004 0.000 0.284 1241 R C -1.038 175.270 176.300 0.014 0.000 1.167 1241 R CA -0.412 55.709 56.100 0.035 0.000 1.000 1241 R CB 2.009 32.332 30.300 0.039 0.000 1.229 1241 R HN 0.610 nan 8.270 nan 0.000 0.416 1242 V N 3.402 123.319 119.914 0.006 0.000 3.032 1242 V HA 0.185 4.308 4.120 0.004 0.000 0.307 1242 V C -0.257 175.844 176.094 0.013 0.000 1.097 1242 V CA 0.688 62.983 62.300 -0.009 0.000 1.191 1242 V CB 1.257 33.086 31.823 0.009 0.000 0.964 1242 V HN 0.508 nan 8.190 nan 0.000 0.494 1243 V N 5.538 125.459 119.914 0.012 0.000 2.966 1243 V HA 0.568 4.691 4.120 0.004 0.000 0.288 1243 V C -0.729 175.384 176.094 0.031 0.000 1.380 1243 V CA -0.844 61.471 62.300 0.025 0.000 0.966 1243 V CB 2.190 34.039 31.823 0.044 0.000 1.115 1243 V HN 0.930 nan 8.190 nan 0.000 0.436 1244 R N 4.173 124.692 120.500 0.032 0.000 2.714 1244 R HA 0.446 4.789 4.340 0.004 0.000 0.214 1244 R C -2.999 173.316 176.300 0.025 0.000 1.474 1244 R CA -0.954 55.161 56.100 0.025 0.000 1.435 1244 R CB 0.426 30.737 30.300 0.019 0.000 1.517 1244 R HN 0.519 nan 8.270 nan 0.000 0.748 1245 P HA 0.240 nan 4.420 nan 0.000 0.265 1245 P C -0.689 176.625 177.300 0.023 0.000 1.222 1245 P CA 0.053 63.169 63.100 0.028 0.000 0.767 1245 P CB 0.836 32.555 31.700 0.032 0.000 0.801 1246 K N 1.077 121.490 120.400 0.020 0.000 2.152 1246 K HA 0.556 4.878 4.320 0.004 0.000 0.257 1246 K C 0.486 177.095 176.600 0.015 0.000 0.961 1246 K CA -0.732 55.565 56.287 0.016 0.000 0.816 1246 K CB 1.193 33.700 32.500 0.012 0.000 1.501 1246 K HN 0.279 nan 8.250 nan 0.000 0.417 1247 S N -0.240 115.467 115.700 0.012 0.000 4.139 1247 S HA -0.258 4.214 4.470 0.004 0.000 0.603 1247 S C -0.072 174.536 174.600 0.012 0.000 1.897 1247 S CA 1.523 59.730 58.200 0.011 0.000 4.241 1247 S CB -1.650 61.557 63.200 0.012 0.000 0.221 1247 S HN 0.603 nan 8.310 nan 0.000 0.488 1248 L N 2.136 123.367 121.223 0.013 0.000 2.638 1248 L HA 0.485 4.827 4.340 0.004 0.000 0.273 1248 L C -0.085 176.793 176.870 0.014 0.000 1.147 1248 L CA 0.011 54.859 54.840 0.013 0.000 0.941 1248 L CB -0.173 41.894 42.059 0.012 0.000 1.251 1248 L HN 0.282 nan 8.230 nan 0.000 0.479 1249 D N 2.036 122.444 120.400 0.014 0.000 2.668 1249 D HA 0.801 5.443 4.640 0.004 0.000 0.249 1249 D C 0.390 176.698 176.300 0.014 0.000 1.150 1249 D CA 0.149 54.158 54.000 0.015 0.000 1.090 1249 D CB 1.889 42.699 40.800 0.016 0.000 1.244 1249 D HN 0.541 nan 8.370 nan 0.000 0.636 1250 A N -0.850 121.979 122.820 0.015 0.000 1.761 1250 A HA 0.369 4.692 4.320 0.004 0.000 0.168 1250 A C 0.194 177.787 177.584 0.014 0.000 1.884 1250 A CA 0.282 52.328 52.037 0.014 0.000 1.217 1250 A CB 0.897 19.905 19.000 0.014 0.000 0.934 1250 A HN 0.421 nan 8.150 nan 0.000 0.682 1251 E N -1.413 118.796 120.200 0.015 0.000 2.435 1251 E HA 0.409 4.762 4.350 0.004 0.000 0.277 1251 E C -1.584 175.027 176.600 0.019 0.000 1.106 1251 E CA 0.266 56.676 56.400 0.016 0.000 0.868 1251 E CB 1.430 31.137 29.700 0.013 0.000 1.454 1251 E HN 1.136 nan 8.360 nan 0.000 0.452 1252 T N 0.818 115.384 114.554 0.019 0.000 2.781 1252 T HA -0.148 4.205 4.350 0.004 0.000 0.476 1252 T C -0.875 173.843 174.700 0.030 0.000 0.785 1252 T CA 0.846 62.960 62.100 0.023 0.000 2.497 1252 T CB -1.190 67.690 68.868 0.019 0.000 1.663 1252 T HN 0.375 nan 8.240 nan 0.000 0.547 1253 E N 1.512 121.732 120.200 0.033 0.000 2.256 1253 E HA 0.704 5.056 4.350 0.004 0.000 0.243 1253 E C 0.355 176.985 176.600 0.050 0.000 0.925 1253 E CA -0.065 56.359 56.400 0.040 0.000 0.748 1253 E CB 1.303 31.024 29.700 0.035 0.000 1.206 1253 E HN 0.983 nan 8.360 nan 0.000 0.428 1254 A N 2.424 125.282 122.820 0.062 0.000 3.201 1254 A HA 0.542 4.865 4.320 0.004 0.000 0.303 1254 A C 0.305 177.950 177.584 0.102 0.000 1.173 1254 A CA 0.069 52.153 52.037 0.078 0.000 0.621 1254 A CB 0.505 19.547 19.000 0.069 0.000 1.468 1254 A HN 0.469 nan 8.150 nan 0.000 0.632 1255 E N -1.081 119.192 120.200 0.122 0.000 3.499 1255 E HA -0.467 3.885 4.350 0.004 0.000 0.467 1255 E C 0.485 177.156 176.600 0.118 0.000 1.639 1255 E CA 1.833 58.325 56.400 0.153 0.000 1.244 1255 E CB -1.089 28.772 29.700 0.268 0.000 1.281 1255 E HN 1.398 nan 8.360 nan 0.000 0.415 1256 E N 0.036 120.310 120.200 0.123 0.000 3.628 1256 E HA -0.301 4.051 4.350 0.004 0.000 0.309 1256 E C 0.179 176.757 176.600 -0.036 0.000 0.839 1256 E CA 1.097 57.543 56.400 0.077 0.000 1.123 1256 E CB -1.060 28.704 29.700 0.106 0.000 1.568 1256 E HN 0.525 nan 8.360 nan 0.000 0.440 1257 D N -1.738 118.549 120.400 -0.188 0.000 2.324 1257 D HA 0.008 4.650 4.640 0.004 0.000 0.212 1257 D C 1.232 177.309 176.300 -0.372 0.000 0.984 1257 D CA 0.717 54.455 54.000 -0.437 0.000 0.885 1257 D CB -0.034 40.394 40.800 -0.620 0.000 0.996 1257 D HN 0.457 nan 8.370 nan 0.000 0.505 1258 H N 0.236 119.245 119.070 -0.101 0.000 2.423 1258 H HA 0.014 4.573 4.556 0.004 0.000 0.297 1258 H C 1.786 177.085 175.328 -0.049 0.000 1.075 1258 H CA 0.935 56.942 56.048 -0.068 0.000 1.342 1258 H CB -0.001 29.737 29.762 -0.041 0.000 1.395 1258 H HN 0.003 nan 8.280 nan 0.000 0.530 1259 M N -0.022 119.625 119.600 0.079 0.000 2.349 1259 M HA -0.040 4.443 4.480 0.004 0.000 0.266 1259 M C 2.033 178.338 176.300 0.008 0.000 1.076 1259 M CA 0.638 55.966 55.300 0.047 0.000 1.126 1259 M CB 0.118 32.749 32.600 0.053 0.000 1.392 1259 M HN 0.280 nan 8.290 nan 0.000 0.440 1260 L N 0.021 121.220 121.223 -0.041 0.000 2.156 1260 L HA -0.170 4.172 4.340 0.004 0.000 0.208 1260 L C 2.068 178.906 176.870 -0.052 0.000 1.095 1260 L CA 1.788 56.591 54.840 -0.061 0.000 0.770 1260 L CB -0.584 41.401 42.059 -0.124 0.000 0.914 1260 L HN 0.319 nan 8.230 nan 0.000 0.439 1261 K N 0.248 120.610 120.400 -0.063 0.000 2.097 1261 K HA -0.169 4.153 4.320 0.004 0.000 0.205 1261 K C 1.753 178.354 176.600 0.003 0.000 1.050 1261 K CA 1.147 57.412 56.287 -0.037 0.000 0.938 1261 K CB 0.107 32.578 32.500 -0.049 0.000 0.718 1261 K HN 0.207 nan 8.250 nan 0.000 0.442 1262 K N 0.274 120.685 120.400 0.017 0.000 2.551 1262 K HA 0.040 4.362 4.320 0.004 0.000 0.192 1262 K C 1.399 178.034 176.600 0.059 0.000 1.027 1262 K CA 0.197 56.507 56.287 0.037 0.000 1.059 1262 K CB 0.215 32.740 32.500 0.041 0.000 0.831 1262 K HN 0.176 nan 8.250 nan 0.000 0.508 1263 I N 0.350 120.953 120.570 0.056 0.000 2.556 1263 I HA -0.174 3.998 4.170 0.004 0.000 0.251 1263 I C 2.165 178.346 176.117 0.108 0.000 1.105 1263 I CA 0.662 62.021 61.300 0.098 0.000 1.436 1263 I CB 0.111 38.132 38.000 0.033 0.000 1.139 1263 I HN 0.106 nan 8.210 nan 0.000 0.438 1264 E N 0.898 121.133 120.200 0.059 0.000 2.265 1264 E HA -0.249 4.103 4.350 0.004 0.000 0.196 1264 E C 1.660 178.294 176.600 0.057 0.000 0.996 1264 E CA 1.533 57.968 56.400 0.058 0.000 0.832 1264 E CB -0.341 29.380 29.700 0.034 0.000 0.756 1264 E HN 0.338 nan 8.360 nan 0.000 0.491 1265 N N -0.214 118.517 118.700 0.052 0.000 2.173 1265 N HA -0.046 4.696 4.740 0.004 0.000 0.184 1265 N C 1.424 176.965 175.510 0.052 0.000 1.025 1265 N CA 1.902 54.978 53.050 0.043 0.000 0.852 1265 N CB -0.415 38.093 38.487 0.034 0.000 0.998 1265 N HN 0.204 nan 8.380 nan 0.000 0.427 1266 T N 0.686 115.283 114.554 0.071 0.000 2.833 1266 T HA -0.048 4.305 4.350 0.004 0.000 0.269 1266 T C 1.810 176.554 174.700 0.073 0.000 1.054 1266 T CA 0.808 62.950 62.100 0.071 0.000 1.135 1266 T CB -0.124 68.803 68.868 0.098 0.000 0.869 1266 T HN 0.246 nan 8.240 nan 0.000 0.466 1267 M N 0.115 119.787 119.600 0.120 0.000 2.296 1267 M HA 0.028 4.511 4.480 0.004 0.000 0.265 1267 M C 1.713 178.048 176.300 0.058 0.000 1.064 1267 M CA 1.200 56.575 55.300 0.126 0.000 1.109 1267 M CB -0.333 32.369 32.600 0.170 0.000 1.396 1267 M HN 0.292 nan 8.290 nan 0.000 0.430 1268 L N -0.660 120.590 121.223 0.045 0.000 2.228 1268 L HA -0.002 4.340 4.340 0.004 0.000 0.196 1268 L C 0.709 177.590 176.870 0.019 0.000 1.162 1268 L CA 0.360 55.216 54.840 0.026 0.000 0.801 1268 L CB -0.273 41.801 42.059 0.026 0.000 0.983 1268 L HN 0.106 nan 8.230 nan 0.000 0.471 1269 E N 2.089 122.303 120.200 0.024 0.000 1.814 1269 E HA 0.081 4.433 4.350 0.004 0.000 0.264 1269 E C -0.645 175.968 176.600 0.022 0.000 1.179 1269 E CA 0.104 56.520 56.400 0.026 0.000 0.972 1269 E CB 0.179 29.893 29.700 0.023 0.000 1.077 1269 E HN 0.332 nan 8.360 nan 0.000 0.417 1270 N N 1.522 120.235 118.700 0.021 0.000 2.520 1270 N HA -0.050 4.692 4.740 0.004 0.000 0.175 1270 N C -1.090 174.408 175.510 -0.020 0.000 1.631 1270 N CA -0.004 53.049 53.050 0.006 0.000 3.225 1270 N CB 0.092 38.577 38.487 -0.004 0.000 1.492 1270 N HN 0.295 nan 8.380 nan 0.000 1.113 1271 I N 2.031 122.586 120.570 -0.025 0.000 2.355 1271 I HA 0.333 4.505 4.170 0.004 0.000 0.288 1271 I C 0.375 176.447 176.117 -0.075 0.000 0.999 1271 I CA 0.111 61.373 61.300 -0.064 0.000 1.163 1271 I CB 1.104 39.065 38.000 -0.066 0.000 1.316 1271 I HN -0.157 nan 8.210 nan 0.000 0.454 1272 T N 7.091 121.595 114.554 -0.084 0.000 2.909 1272 T HA 0.400 4.753 4.350 0.004 0.000 0.286 1272 T C 1.011 175.625 174.700 -0.143 0.000 1.002 1272 T CA -0.120 61.900 62.100 -0.134 0.000 1.074 1272 T CB 1.855 70.689 68.868 -0.056 0.000 0.984 1272 T HN 0.318 nan 8.240 nan 0.000 0.495 1273 L N 1.636 122.751 121.223 -0.180 0.000 2.717 1273 L HA 0.408 4.751 4.340 0.004 0.000 0.239 1273 L C 0.725 177.522 176.870 -0.122 0.000 1.086 1273 L CA 0.352 55.107 54.840 -0.142 0.000 0.897 1273 L CB 0.245 42.220 42.059 -0.141 0.000 1.214 1273 L HN 0.675 nan 8.230 nan 0.000 0.508 1274 R N -1.911 118.508 120.500 -0.133 0.000 3.513 1274 R HA 0.516 4.858 4.340 0.004 0.000 0.243 1274 R C -0.488 175.764 176.300 -0.079 0.000 1.033 1274 R CA -0.321 55.725 56.100 -0.090 0.000 1.083 1274 R CB -0.041 30.213 30.300 -0.076 0.000 1.246 1274 R HN 0.060 nan 8.270 nan 0.000 0.526 1275 G N 0.592 109.374 108.800 -0.030 0.000 2.655 1275 G HA2 -0.006 3.956 3.960 0.004 0.000 0.680 1275 G HA3 -0.006 3.956 3.960 0.004 0.000 0.680 1275 G C -1.227 173.724 174.900 0.085 0.000 1.302 1275 G CA -0.482 44.627 45.100 0.016 0.000 0.872 1275 G HN 0.626 nan 8.290 nan 0.000 0.540 1276 V N 1.509 121.484 119.914 0.102 0.000 2.539 1276 V HA 0.505 4.627 4.120 0.004 0.000 0.292 1276 V C 1.128 177.302 176.094 0.135 0.000 1.045 1276 V CA 0.138 62.498 62.300 0.098 0.000 0.945 1276 V CB 1.453 33.293 31.823 0.029 0.000 0.993 1276 V HN 1.111 nan 8.190 nan 0.000 0.464 1277 E N 4.174 124.388 120.200 0.022 0.000 2.461 1277 E HA -0.027 4.326 4.350 0.004 0.000 0.263 1277 E C 0.259 176.710 176.600 -0.249 0.000 1.143 1277 E CA 0.174 56.364 56.400 -0.350 0.000 0.994 1277 E CB 0.025 29.574 29.700 -0.252 0.000 0.973 1277 E HN 0.675 nan 8.360 nan 0.000 0.457 1278 N N -1.483 117.027 118.700 -0.317 0.000 2.961 1278 N HA -0.194 4.548 4.740 0.004 0.000 0.223 1278 N C -0.689 174.758 175.510 -0.105 0.000 0.866 1278 N CA 1.455 54.404 53.050 -0.169 0.000 1.030 1278 N CB -1.458 36.962 38.487 -0.113 0.000 1.037 1278 N HN 0.458 nan 8.380 nan 0.000 0.608 1279 I N 1.537 122.059 120.570 -0.079 0.000 2.342 1279 I HA 0.225 4.397 4.170 0.004 0.000 0.291 1279 I C 1.029 177.166 176.117 0.034 0.000 1.010 1279 I CA 0.080 61.376 61.300 -0.007 0.000 1.308 1279 I CB 1.348 39.361 38.000 0.021 0.000 1.400 1279 I HN 0.020 nan 8.210 nan 0.000 0.488 1280 E N 4.124 124.343 120.200 0.031 0.000 3.371 1280 E HA 0.443 4.795 4.350 0.004 0.000 0.263 1280 E C -0.444 176.192 176.600 0.060 0.000 0.652 1280 E CA -0.667 55.762 56.400 0.048 0.000 1.779 1280 E CB 0.134 29.851 29.700 0.028 0.000 1.956 1280 E HN 0.444 nan 8.360 nan 0.000 0.401 1281 R N 0.733 121.264 120.500 0.052 0.000 2.486 1281 R HA 0.068 4.410 4.340 0.004 0.000 0.304 1281 R C -0.929 175.433 176.300 0.104 0.000 0.913 1281 R CA 0.051 56.199 56.100 0.079 0.000 1.124 1281 R CB -0.483 29.847 30.300 0.049 0.000 0.891 1281 R HN 0.017 nan 8.270 nan 0.000 0.410 1282 V N 5.580 125.589 119.914 0.158 0.000 2.378 1282 V HA 0.249 4.371 4.120 0.004 0.000 0.288 1282 V C -0.100 176.021 176.094 0.046 0.000 1.016 1282 V CA -0.816 61.529 62.300 0.076 0.000 0.840 1282 V CB 1.743 33.586 31.823 0.034 0.000 0.994 1282 V HN 0.645 nan 8.190 nan 0.000 0.431 1283 V N 5.438 125.371 119.914 0.031 0.000 2.532 1283 V HA 0.433 4.556 4.120 0.004 0.000 0.295 1283 V C 0.452 176.539 176.094 -0.011 0.000 1.041 1283 V CA -0.681 61.634 62.300 0.025 0.000 0.926 1283 V CB 1.833 33.689 31.823 0.055 0.000 0.992 1283 V HN 0.747 nan 8.190 nan 0.000 0.457 1284 M N 4.232 123.832 119.600 0.000 0.000 3.654 1284 M HA 0.325 4.808 4.480 0.004 0.000 0.212 1284 M C -0.330 176.092 176.300 0.202 0.000 1.354 1284 M CA -0.098 55.236 55.300 0.056 0.000 1.564 1284 M CB 0.011 32.597 32.600 -0.023 0.000 1.056 1284 M HN 0.691 nan 8.290 nan 0.000 0.608 1285 M N 1.477 121.117 119.600 0.066 0.000 2.250 1285 M HA 0.158 4.640 4.480 0.004 0.000 0.344 1285 M C 0.166 176.424 176.300 -0.069 0.000 1.150 1285 M CA 0.508 55.800 55.300 -0.013 0.000 1.147 1285 M CB 0.681 33.201 32.600 -0.135 0.000 1.498 1285 M HN 0.171 nan 8.290 nan 0.000 0.461 1286 K N 3.398 123.723 120.400 -0.125 0.000 2.354 1286 K HA 0.240 4.563 4.320 0.004 0.000 0.257 1286 K C -1.769 174.803 176.600 -0.046 0.000 1.062 1286 K CA -0.474 55.648 56.287 -0.275 0.000 0.971 1286 K CB 0.396 32.539 32.500 -0.594 0.000 1.305 1286 K HN 0.503 nan 8.250 nan 0.000 0.449 1287 Y N 1.437 121.718 120.300 -0.032 0.000 2.304 1287 Y HA 0.121 4.674 4.550 0.004 0.000 0.327 1287 Y C 1.079 176.957 175.900 -0.038 0.000 1.209 1287 Y CA -0.877 57.227 58.100 0.007 0.000 1.299 1287 Y CB 0.569 39.090 38.460 0.102 0.000 1.249 1287 Y HN 0.560 nan 8.280 nan 0.000 0.519 1288 D N 1.363 121.841 120.400 0.129 0.000 2.447 1288 D HA 0.437 5.079 4.640 0.004 0.000 0.265 1288 D C -0.219 176.100 176.300 0.032 0.000 1.250 1288 D CA -0.176 53.848 54.000 0.040 0.000 1.046 1288 D CB 0.910 41.716 40.800 0.008 0.000 1.095 1288 D HN 0.433 nan 8.370 nan 0.000 0.555 1289 R N -0.232 120.274 120.500 0.010 0.000 2.728 1289 R HA 0.135 4.477 4.340 0.004 0.000 0.259 1289 R C -1.416 174.900 176.300 0.028 0.000 1.057 1289 R CA -0.613 55.489 56.100 0.002 0.000 0.908 1289 R CB 1.106 31.398 30.300 -0.014 0.000 1.259 1289 R HN 0.221 nan 8.270 nan 0.000 0.472 1290 K N 2.445 122.876 120.400 0.053 0.000 2.211 1290 K HA 0.498 4.821 4.320 0.004 0.000 0.275 1290 K C -0.942 175.790 176.600 0.221 0.000 1.024 1290 K CA -0.611 55.764 56.287 0.146 0.000 0.887 1290 K CB 1.899 34.476 32.500 0.129 0.000 1.084 1290 K HN 0.232 nan 8.250 nan 0.000 0.463 1291 V N 4.187 124.204 119.914 0.172 0.000 2.760 1291 V HA 0.274 4.396 4.120 0.004 0.000 0.309 1291 V C -2.512 173.445 176.094 -0.227 0.000 1.077 1291 V CA -2.522 59.790 62.300 0.019 0.000 0.910 1291 V CB 1.809 33.621 31.823 -0.017 0.000 1.008 1291 V HN 0.652 nan 8.190 nan 0.000 0.424 1292 P HA 0.085 nan 4.420 nan 0.000 0.262 1292 P C -0.304 176.836 177.300 -0.266 0.000 1.199 1292 P CA 0.590 63.365 63.100 -0.542 0.000 0.763 1292 P CB 0.484 31.930 31.700 -0.423 0.000 0.790 1293 S N 4.707 120.273 115.700 -0.224 0.000 2.525 1293 S HA 0.310 4.782 4.470 0.004 0.000 0.278 1293 S C -1.288 173.246 174.600 -0.109 0.000 1.234 1293 S CA -1.852 56.273 58.200 -0.124 0.000 1.058 1293 S CB 0.223 63.373 63.200 -0.084 0.000 0.983 1293 S HN 0.239 nan 8.310 nan 0.000 0.495 1294 P HA -0.178 nan 4.420 nan 0.000 0.218 1294 P C 1.560 178.831 177.300 -0.050 0.000 1.152 1294 P CA 1.840 64.903 63.100 -0.061 0.000 0.857 1294 P CB -0.233 31.441 31.700 -0.043 0.000 0.787 1295 T N -5.706 108.823 114.554 -0.041 0.000 2.904 1295 T HA 0.127 4.480 4.350 0.004 0.000 0.267 1295 T C 1.648 176.334 174.700 -0.023 0.000 1.059 1295 T CA 1.606 63.692 62.100 -0.023 0.000 1.137 1295 T CB -0.474 68.387 68.868 -0.012 0.000 0.879 1295 T HN 0.275 nan 8.240 nan 0.000 0.467 1296 G N 0.344 109.115 108.800 -0.048 0.000 3.876 1296 G HA2 -0.056 3.906 3.960 0.004 0.000 0.203 1296 G HA3 -0.056 3.906 3.960 0.004 0.000 0.203 1296 G C -0.216 174.643 174.900 -0.069 0.000 1.162 1296 G CA -0.260 44.810 45.100 -0.051 0.000 0.903 1296 G HN 0.527 nan 8.290 nan 0.000 0.390 1297 E N -0.263 119.918 120.200 -0.032 0.000 2.442 1297 E HA 0.348 4.701 4.350 0.004 0.000 0.260 1297 E C -0.531 176.038 176.600 -0.052 0.000 1.148 1297 E CA -0.004 56.400 56.400 0.008 0.000 0.976 1297 E CB 0.295 30.011 29.700 0.027 0.000 0.967 1297 E HN 0.335 nan 8.360 nan 0.000 0.454 1298 Y N 1.112 121.413 120.300 0.001 0.000 2.930 1298 Y HA 0.131 4.683 4.550 0.004 0.000 0.386 1298 Y C -0.343 175.553 175.900 -0.007 0.000 1.185 1298 Y CA -0.486 57.612 58.100 -0.003 0.000 1.922 1298 Y CB -0.149 38.311 38.460 0.001 0.000 2.006 1298 Y HN 0.172 nan 8.280 nan 0.000 0.431 1299 V N 1.822 121.762 119.914 0.043 0.000 2.872 1299 V HA -0.227 3.896 4.120 0.004 0.000 0.302 1299 V C 0.475 176.598 176.094 0.048 0.000 1.166 1299 V CA 0.243 62.561 62.300 0.031 0.000 1.298 1299 V CB 0.190 32.008 31.823 -0.008 0.000 0.894 1299 V HN 0.424 nan 8.190 nan 0.000 0.509 1300 K N 4.153 124.574 120.400 0.036 0.000 2.316 1300 K HA 0.278 4.601 4.320 0.004 0.000 0.289 1300 K C -0.011 176.595 176.600 0.010 0.000 1.070 1300 K CA -0.125 56.178 56.287 0.027 0.000 0.928 1300 K CB 0.755 33.265 32.500 0.015 0.000 1.039 1300 K HN 0.731 nan 8.250 nan 0.000 0.480 1301 E N 5.252 125.457 120.200 0.009 0.000 2.133 1301 E HA 0.244 4.596 4.350 0.004 0.000 0.274 1301 E C -2.452 174.141 176.600 -0.012 0.000 0.930 1301 E CA -2.386 54.013 56.400 -0.003 0.000 0.770 1301 E CB 1.113 30.813 29.700 -0.001 0.000 1.104 1301 E HN 0.205 nan 8.360 nan 0.000 0.403 1302 P HA 0.167 nan 4.420 nan 0.000 0.284 1302 P C -1.498 175.752 177.300 -0.084 0.000 1.253 1302 P CA -0.245 62.812 63.100 -0.071 0.000 0.800 1302 P CB 0.883 32.514 31.700 -0.115 0.000 0.961 1303 E N 1.136 121.283 120.200 -0.088 0.000 2.383 1303 E HA 0.430 4.783 4.350 0.004 0.000 0.275 1303 E C -1.483 175.073 176.600 -0.073 0.000 0.918 1303 E CA -0.992 55.386 56.400 -0.035 0.000 0.764 1303 E CB 0.946 30.689 29.700 0.072 0.000 1.252 1303 E HN 0.233 nan 8.360 nan 0.000 0.449 1304 W N 1.813 123.146 121.300 0.055 0.000 2.272 1304 W HA 0.485 5.148 4.660 0.004 0.000 0.318 1304 W C -0.610 175.915 176.519 0.011 0.000 1.255 1304 W CA -0.290 57.060 57.345 0.009 0.000 1.200 1304 W CB 1.462 30.919 29.460 -0.006 0.000 1.170 1304 W HN 0.257 nan 8.180 nan 0.000 0.549 1305 V N 4.562 124.570 119.914 0.156 0.000 2.925 1305 V HA 0.447 4.569 4.120 0.004 0.000 0.311 1305 V C -0.366 175.672 176.094 -0.094 0.000 1.104 1305 V CA -1.294 60.997 62.300 -0.016 0.000 0.954 1305 V CB 1.881 33.530 31.823 -0.289 0.000 1.022 1305 V HN 0.281 nan 8.190 nan 0.000 0.427 1306 L N 2.993 124.156 121.223 -0.099 0.000 2.296 1306 L HA 0.631 4.973 4.340 0.004 0.000 0.286 1306 L C -0.164 176.650 176.870 -0.093 0.000 1.023 1306 L CA -0.391 54.399 54.840 -0.082 0.000 0.812 1306 L CB 1.534 43.558 42.059 -0.058 0.000 1.223 1306 L HN 0.655 nan 8.230 nan 0.000 0.421 1307 E N 2.059 122.224 120.200 -0.058 0.000 2.195 1307 E HA 0.623 4.975 4.350 0.004 0.000 0.271 1307 E C -1.025 175.580 176.600 0.008 0.000 0.923 1307 E CA -0.594 55.797 56.400 -0.015 0.000 0.790 1307 E CB 2.601 32.309 29.700 0.013 0.000 1.155 1307 E HN 0.475 nan 8.360 nan 0.000 0.402 1308 T N 1.318 115.880 114.554 0.014 0.000 2.900 1308 T HA 0.276 4.629 4.350 0.004 0.000 0.303 1308 T C -1.363 173.347 174.700 0.016 0.000 1.142 1308 T CA -0.949 61.160 62.100 0.014 0.000 1.007 1308 T CB 1.416 70.283 68.868 -0.002 0.000 1.156 1308 T HN 0.251 nan 8.240 nan 0.000 0.490 1309 D N 1.325 121.736 120.400 0.018 0.000 2.329 1309 D HA 0.598 5.240 4.640 0.004 0.000 0.232 1309 D C 0.624 176.920 176.300 -0.006 0.000 1.088 1309 D CA 0.609 54.615 54.000 0.010 0.000 0.835 1309 D CB 1.025 41.835 40.800 0.017 0.000 1.078 1309 D HN 1.026 nan 8.370 nan 0.000 0.495 1310 G N 0.362 109.151 108.800 -0.018 0.000 2.662 1310 G HA2 0.041 4.004 3.960 0.004 0.000 0.686 1310 G HA3 0.041 4.004 3.960 0.004 0.000 0.686 1310 G C -1.227 173.646 174.900 -0.044 0.000 1.271 1310 G CA -0.935 44.144 45.100 -0.036 0.000 0.816 1310 G HN 0.477 nan 8.290 nan 0.000 0.608 1311 V N 1.570 121.450 119.914 -0.056 0.000 2.524 1311 V HA 0.632 4.755 4.120 0.004 0.000 0.297 1311 V C 0.256 176.313 176.094 -0.062 0.000 1.035 1311 V CA -0.454 61.808 62.300 -0.062 0.000 0.867 1311 V CB 1.839 33.617 31.823 -0.075 0.000 1.004 1311 V HN 0.912 nan 8.190 nan 0.000 0.426 1312 N N 3.831 122.498 118.700 -0.054 0.000 2.646 1312 N HA 0.097 4.840 4.740 0.004 0.000 0.303 1312 N C 1.049 176.536 175.510 -0.039 0.000 1.921 1312 N CA -0.350 52.671 53.050 -0.049 0.000 0.872 1312 N CB 0.830 39.288 38.487 -0.048 0.000 1.327 1312 N HN 0.608 nan 8.380 nan 0.000 0.492 1313 L N 1.205 122.402 121.223 -0.043 0.000 2.171 1313 L HA -0.262 4.080 4.340 0.004 0.000 0.216 1313 L C 1.897 178.754 176.870 -0.021 0.000 1.084 1313 L CA 1.926 56.747 54.840 -0.033 0.000 0.771 1313 L CB -0.737 41.297 42.059 -0.040 0.000 0.890 1313 L HN 0.288 nan 8.230 nan 0.000 0.437 1314 S N -0.479 115.207 115.700 -0.023 0.000 2.378 1314 S HA -0.227 4.246 4.470 0.004 0.000 0.229 1314 S C 1.434 176.027 174.600 -0.011 0.000 1.052 1314 S CA 1.977 60.167 58.200 -0.017 0.000 1.084 1314 S CB -0.342 62.846 63.200 -0.021 0.000 0.950 1314 S HN 0.595 nan 8.310 nan 0.000 0.440 1315 E N -0.252 119.940 120.200 -0.013 0.000 2.693 1315 E HA 0.275 4.627 4.350 0.004 0.000 0.214 1315 E C 0.831 177.427 176.600 -0.006 0.000 0.990 1315 E CA 0.053 56.448 56.400 -0.008 0.000 1.047 1315 E CB 0.819 30.513 29.700 -0.009 0.000 1.039 1315 E HN 0.347 nan 8.360 nan 0.000 0.475 1316 V N 0.750 120.660 119.914 -0.007 0.000 2.672 1316 V HA -0.104 4.019 4.120 0.004 0.000 0.242 1316 V C 2.392 178.487 176.094 0.002 0.000 1.059 1316 V CA 1.156 63.453 62.300 -0.005 0.000 1.081 1316 V CB -0.403 31.413 31.823 -0.011 0.000 0.752 1316 V HN 0.305 nan 8.190 nan 0.000 0.472 1317 M N 1.349 120.953 119.600 0.006 0.000 2.374 1317 M HA -0.080 4.402 4.480 0.004 0.000 0.264 1317 M C 1.959 178.269 176.300 0.018 0.000 1.067 1317 M CA 2.094 57.404 55.300 0.017 0.000 1.103 1317 M CB -1.297 31.317 32.600 0.022 0.000 1.402 1317 M HN 0.390 nan 8.290 nan 0.000 0.444 1318 T N -1.229 113.331 114.554 0.011 0.000 3.051 1318 T HA 0.136 4.488 4.350 0.004 0.000 0.269 1318 T C 0.757 175.464 174.700 0.011 0.000 1.127 1318 T CA 0.012 62.119 62.100 0.011 0.000 1.107 1318 T CB -0.936 67.936 68.868 0.006 0.000 0.898 1318 T HN 0.256 nan 8.240 nan 0.000 0.517 1319 V N 3.821 123.742 119.914 0.011 0.000 2.763 1319 V HA 0.223 4.345 4.120 0.004 0.000 0.306 1319 V C -1.995 174.108 176.094 0.016 0.000 1.059 1319 V CA -1.482 60.824 62.300 0.009 0.000 1.138 1319 V CB 0.587 32.413 31.823 0.004 0.000 0.940 1319 V HN 0.369 nan 8.190 nan 0.000 0.489 1320 P HA 0.476 nan 4.420 nan 0.000 0.285 1320 P C 0.695 178.008 177.300 0.023 0.000 1.259 1320 P CA 0.569 63.681 63.100 0.022 0.000 0.794 1320 P CB 1.260 32.970 31.700 0.016 0.000 0.940 1321 G N 1.938 110.765 108.800 0.045 0.000 2.278 1321 G HA2 -0.164 3.799 3.960 0.004 0.000 0.210 1321 G HA3 -0.164 3.799 3.960 0.004 0.000 0.210 1321 G C 0.066 175.008 174.900 0.071 0.000 1.000 1321 G CA 0.145 45.277 45.100 0.052 0.000 0.635 1321 G HN 0.668 nan 8.290 nan 0.000 0.495 1322 I N -0.296 120.311 120.570 0.062 0.000 3.076 1322 I HA 0.821 4.994 4.170 0.004 0.000 0.313 1322 I C -1.420 174.753 176.117 0.093 0.000 1.053 1322 I CA -1.209 60.138 61.300 0.078 0.000 1.048 1322 I CB 1.711 39.743 38.000 0.054 0.000 1.264 1322 I HN -0.068 nan 8.210 nan 0.000 0.498 1323 D N 4.403 124.877 120.400 0.123 0.000 2.396 1323 D HA 0.446 5.088 4.640 0.004 0.000 0.225 1323 D C -2.169 174.201 176.300 0.118 0.000 1.121 1323 D CA -2.020 52.056 54.000 0.125 0.000 0.853 1323 D CB 1.287 42.184 40.800 0.163 0.000 1.043 1323 D HN 0.322 nan 8.370 nan 0.000 0.500 1324 P HA 0.171 nan 4.420 nan 0.000 0.244 1324 P C 0.304 177.648 177.300 0.073 0.000 1.632 1324 P CA 0.010 63.153 63.100 0.072 0.000 0.944 1324 P CB 0.571 32.301 31.700 0.050 0.000 1.569 1325 T N -1.684 112.926 114.554 0.093 0.000 3.130 1325 T HA 0.283 4.636 4.350 0.004 0.000 0.288 1325 T C 1.149 175.921 174.700 0.121 0.000 0.936 1325 T CA 0.160 62.310 62.100 0.084 0.000 0.897 1325 T CB 0.070 68.970 68.868 0.054 0.000 1.178 1325 T HN -0.052 nan 8.240 nan 0.000 0.543 1326 R N 0.068 120.682 120.500 0.190 0.000 2.576 1326 R HA 0.430 4.772 4.340 0.004 0.000 0.237 1326 R C 0.650 177.195 176.300 0.409 0.000 0.917 1326 R CA -0.260 56.034 56.100 0.323 0.000 1.002 1326 R CB 0.633 31.161 30.300 0.381 0.000 1.428 1326 R HN 0.369 nan 8.270 nan 0.000 0.603 1327 I N 2.003 122.720 120.570 0.244 0.000 2.845 1327 I HA -0.132 4.040 4.170 0.004 0.000 0.290 1327 I C -1.125 175.090 176.117 0.164 0.000 1.202 1327 I CA 0.608 61.975 61.300 0.111 0.000 1.406 1327 I CB 0.119 38.157 38.000 0.062 0.000 1.383 1327 I HN 0.051 nan 8.210 nan 0.000 0.549 1328 Y N 6.480 126.775 120.300 -0.009 0.000 2.391 1328 Y HA 0.452 5.005 4.550 0.004 0.000 0.341 1328 Y C -0.803 175.110 175.900 0.022 0.000 0.965 1328 Y CA -0.568 57.556 58.100 0.040 0.000 1.067 1328 Y CB 1.843 40.359 38.460 0.092 0.000 1.199 1328 Y HN 0.532 nan 8.280 nan 0.000 0.450 1329 T N 6.336 120.495 114.554 -0.658 0.000 2.847 1329 T HA 0.117 4.469 4.350 0.004 0.000 0.291 1329 T C 0.670 174.997 174.700 -0.622 0.000 0.998 1329 T CA -0.741 61.067 62.100 -0.487 0.000 0.967 1329 T CB 0.317 69.048 68.868 -0.228 0.000 0.954 1329 T HN 0.819 nan 8.240 nan 0.000 0.441 1330 N N 2.488 120.954 118.700 -0.390 0.000 2.588 1330 N HA -0.086 4.657 4.740 0.004 0.000 0.190 1330 N C 0.797 176.283 175.510 -0.039 0.000 1.094 1330 N CA 0.404 53.357 53.050 -0.162 0.000 0.921 1330 N CB -0.002 38.507 38.487 0.035 0.000 0.959 1330 N HN 0.341 nan 8.380 nan 0.000 0.448 1331 S N 0.541 116.173 115.700 -0.114 0.000 3.065 1331 S HA 0.120 4.592 4.470 0.004 0.000 0.311 1331 S C 0.801 175.324 174.600 -0.128 0.000 1.204 1331 S CA -0.895 57.230 58.200 -0.125 0.000 1.040 1331 S CB -1.225 61.886 63.200 -0.148 0.000 1.436 1331 S HN 0.343 nan 8.310 nan 0.000 0.532 1332 F N 4.131 124.043 119.950 -0.064 0.000 2.365 1332 F HA 0.065 4.595 4.527 0.004 0.000 0.300 1332 F C 1.610 177.400 175.800 -0.017 0.000 1.090 1332 F CA 0.352 58.334 58.000 -0.030 0.000 1.408 1332 F CB -0.345 38.668 39.000 0.022 0.000 1.060 1332 F HN 0.520 nan 8.300 nan 0.000 0.534 1333 I N 1.625 121.720 120.570 -0.792 0.000 2.315 1333 I HA -0.226 3.946 4.170 0.004 0.000 0.248 1333 I C 1.253 177.236 176.117 -0.223 0.000 1.117 1333 I CA 1.839 62.819 61.300 -0.533 0.000 1.404 1333 I CB -0.721 36.909 38.000 -0.617 0.000 1.071 1333 I HN 0.129 nan 8.210 nan 0.000 0.419 1334 D N 1.052 121.339 120.400 -0.190 0.000 2.097 1334 D HA -0.128 4.514 4.640 0.004 0.000 0.197 1334 D C 2.329 178.591 176.300 -0.063 0.000 0.984 1334 D CA 0.942 54.876 54.000 -0.111 0.000 0.826 1334 D CB -0.076 40.660 40.800 -0.108 0.000 0.973 1334 D HN 0.231 nan 8.370 nan 0.000 0.460 1335 I N 0.847 121.388 120.570 -0.047 0.000 2.300 1335 I HA -0.263 3.909 4.170 0.004 0.000 0.252 1335 I C 2.156 178.290 176.117 0.028 0.000 1.119 1335 I CA 1.077 62.379 61.300 0.004 0.000 1.384 1335 I CB -0.551 37.476 38.000 0.045 0.000 1.062 1335 I HN 0.237 nan 8.210 nan 0.000 0.426 1336 M N 0.363 119.979 119.600 0.026 0.000 2.319 1336 M HA -0.165 4.317 4.480 0.004 0.000 0.265 1336 M C 1.789 178.099 176.300 0.017 0.000 1.068 1336 M CA 1.668 56.991 55.300 0.040 0.000 1.118 1336 M CB -0.270 32.358 32.600 0.047 0.000 1.395 1336 M HN 0.288 nan 8.290 nan 0.000 0.435 1337 E N -1.361 118.836 120.200 -0.004 0.000 2.276 1337 E HA -0.029 4.323 4.350 0.004 0.000 0.193 1337 E C 1.944 178.543 176.600 -0.002 0.000 0.983 1337 E CA 0.455 56.851 56.400 -0.007 0.000 0.861 1337 E CB 0.355 30.042 29.700 -0.022 0.000 0.817 1337 E HN 0.284 nan 8.360 nan 0.000 0.485 1338 V N 0.919 120.832 119.914 -0.002 0.000 2.426 1338 V HA -0.048 4.075 4.120 0.004 0.000 0.242 1338 V C 1.643 177.744 176.094 0.013 0.000 1.036 1338 V CA 1.101 63.402 62.300 0.002 0.000 1.044 1338 V CB 0.049 31.870 31.823 -0.004 0.000 0.688 1338 V HN 0.206 nan 8.190 nan 0.000 0.462 1339 L N 0.098 121.335 121.223 0.022 0.000 2.910 1339 L HA 0.582 4.924 4.340 0.004 0.000 0.252 1339 L C 0.866 177.755 176.870 0.032 0.000 1.195 1339 L CA 0.374 55.232 54.840 0.030 0.000 1.003 1339 L CB -0.068 42.017 42.059 0.043 0.000 1.328 1339 L HN 0.474 nan 8.230 nan 0.000 0.540 1340 G N 0.849 109.666 108.800 0.029 0.000 2.728 1340 G HA2 -0.288 3.675 3.960 0.004 0.000 0.294 1340 G HA3 -0.288 3.675 3.960 0.004 0.000 0.294 1340 G C 0.112 175.036 174.900 0.041 0.000 1.342 1340 G CA -0.030 45.087 45.100 0.030 0.000 0.866 1340 G HN 0.057 nan 8.290 nan 0.000 0.534 1341 I N -0.581 120.013 120.570 0.040 0.000 2.400 1341 I HA 0.178 4.351 4.170 0.004 0.000 0.248 1341 I C 2.174 178.324 176.117 0.055 0.000 1.109 1341 I CA 2.185 63.515 61.300 0.050 0.000 1.425 1341 I CB -0.183 37.844 38.000 0.046 0.000 1.094 1341 I HN 0.586 nan 8.210 nan 0.000 0.425 1342 E N 0.850 121.076 120.200 0.043 0.000 2.208 1342 E HA -0.071 4.281 4.350 0.004 0.000 0.193 1342 E C 2.167 178.794 176.600 0.046 0.000 0.988 1342 E CA 1.030 57.453 56.400 0.038 0.000 0.828 1342 E CB -0.104 29.609 29.700 0.021 0.000 0.763 1342 E HN 0.626 nan 8.360 nan 0.000 0.478 1343 A N 0.687 123.540 122.820 0.054 0.000 2.014 1343 A HA 0.002 4.324 4.320 0.004 0.000 0.218 1343 A C 2.333 179.980 177.584 0.104 0.000 1.163 1343 A CA 1.444 53.524 52.037 0.073 0.000 0.652 1343 A CB -0.691 18.352 19.000 0.071 0.000 0.808 1343 A HN 0.309 nan 8.150 nan 0.000 0.449 1344 G N -0.327 108.536 108.800 0.105 0.000 2.511 1344 G HA2 -0.286 3.677 3.960 0.004 0.000 0.216 1344 G HA3 -0.286 3.677 3.960 0.004 0.000 0.216 1344 G C 1.673 176.655 174.900 0.137 0.000 1.218 1344 G CA 0.949 46.136 45.100 0.144 0.000 0.788 1344 G HN 0.486 nan 8.290 nan 0.000 0.560 1345 R N 0.532 121.090 120.500 0.097 0.000 2.178 1345 R HA -0.239 4.104 4.340 0.004 0.000 0.257 1345 R C 2.726 179.082 176.300 0.093 0.000 1.163 1345 R CA 1.843 57.988 56.100 0.075 0.000 0.981 1345 R CB -0.413 29.915 30.300 0.046 0.000 0.878 1345 R HN 0.368 nan 8.270 nan 0.000 0.454 1346 A N -0.410 122.471 122.820 0.102 0.000 1.970 1346 A HA 0.065 4.388 4.320 0.004 0.000 0.216 1346 A C 2.172 179.880 177.584 0.207 0.000 1.170 1346 A CA 1.226 53.339 52.037 0.126 0.000 0.645 1346 A CB -0.277 18.774 19.000 0.085 0.000 0.816 1346 A HN 0.492 nan 8.150 nan 0.000 0.447 1347 A N -0.439 122.513 122.820 0.220 0.000 1.898 1347 A HA 0.133 4.455 4.320 0.004 0.000 0.214 1347 A C 2.061 179.730 177.584 0.141 0.000 1.183 1347 A CA 1.365 53.576 52.037 0.289 0.000 0.622 1347 A CB -0.607 18.587 19.000 0.323 0.000 0.824 1347 A HN 0.580 nan 8.150 nan 0.000 0.444 1348 L N -1.149 120.071 121.223 -0.004 0.000 1.989 1348 L HA -0.204 4.138 4.340 0.004 0.000 0.211 1348 L C 2.313 179.093 176.870 -0.150 0.000 1.071 1348 L CA 2.653 57.280 54.840 -0.354 0.000 0.749 1348 L CB -0.958 40.915 42.059 -0.311 0.000 0.890 1348 L HN 0.547 nan 8.230 nan 0.000 0.431 1349 Y N 0.696 120.941 120.300 -0.092 0.000 2.030 1349 Y HA -0.400 4.153 4.550 0.004 0.000 0.274 1349 Y C 2.787 178.710 175.900 0.039 0.000 1.153 1349 Y CA 2.685 60.765 58.100 -0.033 0.000 1.115 1349 Y CB -0.447 38.006 38.460 -0.011 0.000 0.969 1349 Y HN 0.289 nan 8.280 nan 0.000 0.488 1350 K N -0.093 120.408 120.400 0.168 0.000 2.127 1350 K HA -0.293 4.029 4.320 0.004 0.000 0.208 1350 K C 1.987 178.620 176.600 0.055 0.000 1.047 1350 K CA 2.096 58.438 56.287 0.093 0.000 0.927 1350 K CB -0.251 32.344 32.500 0.158 0.000 0.716 1350 K HN 0.332 nan 8.250 nan 0.000 0.450 1351 E N -0.095 120.123 120.200 0.031 0.000 2.072 1351 E HA -0.074 4.279 4.350 0.004 0.000 0.190 1351 E C 1.844 178.395 176.600 -0.082 0.000 0.982 1351 E CA 0.928 57.329 56.400 0.001 0.000 0.803 1351 E CB -0.081 29.591 29.700 -0.047 0.000 0.755 1351 E HN 0.134 nan 8.360 nan 0.000 0.453 1352 V N 0.506 120.320 119.914 -0.166 0.000 2.490 1352 V HA -0.248 3.874 4.120 0.004 0.000 0.250 1352 V C 1.971 177.961 176.094 -0.174 0.000 1.061 1352 V CA 1.941 64.135 62.300 -0.176 0.000 1.064 1352 V CB -0.541 31.165 31.823 -0.195 0.000 0.670 1352 V HN 0.368 nan 8.190 nan 0.000 0.461 1353 Y N 1.190 121.264 120.300 -0.377 0.000 2.092 1353 Y HA -0.203 4.349 4.550 0.004 0.000 0.282 1353 Y C 2.554 178.364 175.900 -0.149 0.000 1.126 1353 Y CA 2.141 60.040 58.100 -0.335 0.000 1.111 1353 Y CB -0.511 37.639 38.460 -0.516 0.000 0.987 1353 Y HN 0.192 nan 8.280 nan 0.000 0.489 1354 N N -0.059 118.717 118.700 0.128 0.000 2.247 1354 N HA -0.222 4.521 4.740 0.004 0.000 0.189 1354 N C 1.777 177.240 175.510 -0.078 0.000 1.009 1354 N CA 1.415 54.498 53.050 0.055 0.000 0.872 1354 N CB -0.150 38.413 38.487 0.127 0.000 0.980 1354 N HN 0.287 nan 8.380 nan 0.000 0.436 1355 V N 1.626 121.478 119.914 -0.103 0.000 2.307 1355 V HA -0.199 3.923 4.120 0.004 0.000 0.245 1355 V C 2.265 178.268 176.094 -0.151 0.000 1.045 1355 V CA 1.133 63.365 62.300 -0.115 0.000 1.024 1355 V CB -0.211 31.549 31.823 -0.104 0.000 0.651 1355 V HN 0.234 nan 8.190 nan 0.000 0.449 1356 I N 0.615 121.057 120.570 -0.214 0.000 2.202 1356 I HA -0.155 4.018 4.170 0.004 0.000 0.242 1356 I C 2.650 178.627 176.117 -0.233 0.000 1.091 1356 I CA 2.019 63.190 61.300 -0.216 0.000 1.368 1356 I CB -1.787 36.071 38.000 -0.237 0.000 1.058 1356 I HN 0.306 nan 8.210 nan 0.000 0.410 1357 A N 1.039 123.624 122.820 -0.391 0.000 2.066 1357 A HA -0.124 4.198 4.320 0.004 0.000 0.218 1357 A C 2.404 179.907 177.584 -0.136 0.000 1.157 1357 A CA 1.531 53.377 52.037 -0.319 0.000 0.670 1357 A CB -0.738 17.924 19.000 -0.562 0.000 0.804 1357 A HN 0.564 nan 8.150 nan 0.000 0.453 1358 S N -0.117 115.517 115.700 -0.109 0.000 2.465 1358 S HA -0.141 4.332 4.470 0.004 0.000 0.241 1358 S C 0.504 175.103 174.600 -0.002 0.000 1.000 1358 S CA 1.503 59.686 58.200 -0.029 0.000 0.964 1358 S CB -0.354 62.831 63.200 -0.026 0.000 0.763 1358 S HN 0.507 nan 8.310 nan 0.000 0.512 1359 D N 0.288 120.667 120.400 -0.034 0.000 2.440 1359 D HA 0.417 5.060 4.640 0.004 0.000 0.216 1359 D C 1.248 177.553 176.300 0.009 0.000 1.150 1359 D CA 0.567 54.551 54.000 -0.027 0.000 0.832 1359 D CB 0.420 41.176 40.800 -0.073 0.000 0.992 1359 D HN 0.451 nan 8.370 nan 0.000 0.502 1360 G N -0.058 108.751 108.800 0.016 0.000 2.176 1360 G HA2 -0.281 3.681 3.960 0.004 0.000 0.253 1360 G HA3 -0.281 3.681 3.960 0.004 0.000 0.253 1360 G C 0.709 175.623 174.900 0.024 0.000 0.979 1360 G CA 0.257 45.376 45.100 0.032 0.000 0.641 1360 G HN 0.329 nan 8.290 nan 0.000 0.530 1361 S N -0.647 115.053 115.700 -0.001 0.000 2.624 1361 S HA 0.632 5.104 4.470 0.004 0.000 0.263 1361 S C -0.527 174.118 174.600 0.075 0.000 1.287 1361 S CA 0.180 58.389 58.200 0.015 0.000 0.990 1361 S CB 1.339 64.520 63.200 -0.033 0.000 0.950 1361 S HN 1.046 nan 8.310 nan 0.000 0.561 1362 Y N 0.709 120.977 120.300 -0.054 0.000 2.330 1362 Y HA 0.533 5.085 4.550 0.004 0.000 0.324 1362 Y C -1.608 174.305 175.900 0.022 0.000 1.093 1362 Y CA -0.858 57.226 58.100 -0.027 0.000 1.103 1362 Y CB 0.473 38.934 38.460 0.002 0.000 1.183 1362 Y HN 0.344 nan 8.280 nan 0.000 0.433 1363 V N 6.743 126.425 119.914 -0.387 0.000 2.495 1363 V HA 0.302 4.425 4.120 0.004 0.000 0.298 1363 V C -0.037 175.840 176.094 -0.362 0.000 1.031 1363 V CA -1.115 60.958 62.300 -0.379 0.000 0.871 1363 V CB 1.729 33.487 31.823 -0.108 0.000 0.988 1363 V HN 0.855 nan 8.190 nan 0.000 0.432 1364 N N 2.841 121.354 118.700 -0.312 0.000 2.468 1364 N HA -0.046 4.696 4.740 0.004 0.000 0.265 1364 N C 1.113 176.713 175.510 0.150 0.000 1.199 1364 N CA 0.048 53.069 53.050 -0.048 0.000 0.928 1364 N CB 0.520 38.985 38.487 -0.037 0.000 1.059 1364 N HN 0.807 nan 8.380 nan 0.000 0.467 1365 Y N 5.827 126.256 120.300 0.216 0.000 2.108 1365 Y HA -0.383 4.170 4.550 0.004 0.000 0.274 1365 Y C 2.417 178.357 175.900 0.065 0.000 1.229 1365 Y CA 2.594 60.838 58.100 0.240 0.000 1.129 1365 Y CB -0.111 38.468 38.460 0.199 0.000 0.946 1365 Y HN 0.705 nan 8.280 nan 0.000 0.509 1366 R N -0.808 119.706 120.500 0.023 0.000 2.303 1366 R HA -0.195 4.147 4.340 0.004 0.000 0.225 1366 R C 1.316 177.410 176.300 -0.343 0.000 1.114 1366 R CA 1.642 57.583 56.100 -0.266 0.000 1.007 1366 R CB -0.827 29.250 30.300 -0.373 0.000 0.861 1366 R HN 0.489 nan 8.270 nan 0.000 0.471 1367 H N 1.435 120.454 119.070 -0.086 0.000 2.275 1367 H HA 0.116 4.675 4.556 0.004 0.000 0.315 1367 H C 2.305 177.578 175.328 -0.091 0.000 1.058 1367 H CA 1.598 57.611 56.048 -0.058 0.000 1.387 1367 H CB -0.650 29.094 29.762 -0.030 0.000 1.435 1367 H HN 0.102 nan 8.280 nan 0.000 0.530 1368 M N 0.772 120.422 119.600 0.083 0.000 2.146 1368 M HA -0.232 4.250 4.480 0.004 0.000 0.256 1368 M C 2.572 178.869 176.300 -0.005 0.000 1.075 1368 M CA 1.711 57.026 55.300 0.025 0.000 1.082 1368 M CB -0.425 32.196 32.600 0.034 0.000 1.355 1368 M HN 0.282 nan 8.290 nan 0.000 0.402 1369 A N 0.790 123.510 122.820 -0.166 0.000 1.849 1369 A HA -0.209 4.113 4.320 0.004 0.000 0.217 1369 A C 2.131 179.605 177.584 -0.183 0.000 1.202 1369 A CA 1.997 53.812 52.037 -0.369 0.000 0.629 1369 A CB -1.077 17.360 19.000 -0.938 0.000 0.834 1369 A HN 0.469 nan 8.150 nan 0.000 0.447 1370 L N -0.523 120.609 121.223 -0.152 0.000 2.021 1370 L HA -0.216 4.126 4.340 0.004 0.000 0.215 1370 L C 2.317 179.159 176.870 -0.046 0.000 1.074 1370 L CA 2.550 57.351 54.840 -0.065 0.000 0.760 1370 L CB -0.749 41.316 42.059 0.010 0.000 0.889 1370 L HN 0.466 nan 8.230 nan 0.000 0.433 1371 L N -0.994 120.203 121.223 -0.044 0.000 1.944 1371 L HA -0.209 4.134 4.340 0.004 0.000 0.218 1371 L C 2.414 179.253 176.870 -0.051 0.000 1.075 1371 L CA 2.311 57.116 54.840 -0.059 0.000 0.767 1371 L CB -1.106 40.913 42.059 -0.067 0.000 0.890 1371 L HN 0.104 nan 8.230 nan 0.000 0.434 1372 V N 0.571 120.464 119.914 -0.035 0.000 2.363 1372 V HA -0.392 3.730 4.120 0.004 0.000 0.254 1372 V C 2.300 178.386 176.094 -0.012 0.000 1.074 1372 V CA 2.173 64.463 62.300 -0.017 0.000 1.069 1372 V CB -0.991 30.855 31.823 0.039 0.000 0.659 1372 V HN 0.590 nan 8.190 nan 0.000 0.455 1373 D N -0.397 119.989 120.400 -0.024 0.000 2.144 1373 D HA -0.105 4.538 4.640 0.004 0.000 0.200 1373 D C 2.092 178.390 176.300 -0.004 0.000 0.978 1373 D CA 1.214 55.209 54.000 -0.010 0.000 0.833 1373 D CB -0.376 40.414 40.800 -0.017 0.000 0.961 1373 D HN 0.388 nan 8.370 nan 0.000 0.470 1374 V N 0.866 120.768 119.914 -0.020 0.000 2.490 1374 V HA -0.175 3.947 4.120 0.004 0.000 0.250 1374 V C 2.012 178.105 176.094 -0.001 0.000 1.061 1374 V CA 1.136 63.423 62.300 -0.021 0.000 1.064 1374 V CB -0.550 31.240 31.823 -0.055 0.000 0.670 1374 V HN 0.212 nan 8.190 nan 0.000 0.461 1375 M N -0.516 119.085 119.600 0.002 0.000 2.704 1375 M HA 0.042 4.524 4.480 0.004 0.000 0.215 1375 M C 1.213 177.543 176.300 0.050 0.000 1.156 1375 M CA 0.699 56.019 55.300 0.032 0.000 1.002 1375 M CB -0.146 32.471 32.600 0.029 0.000 1.781 1375 M HN 0.287 nan 8.290 nan 0.000 0.486 1376 T N -2.108 112.470 114.554 0.041 0.000 3.434 1376 T HA -0.024 4.328 4.350 0.004 0.000 0.279 1376 T C 1.816 176.543 174.700 0.046 0.000 0.955 1376 T CA 0.915 63.044 62.100 0.049 0.000 1.048 1376 T CB 0.052 68.948 68.868 0.045 0.000 1.186 1376 T HN 0.456 nan 8.240 nan 0.000 0.485 1377 T N 0.842 115.419 114.554 0.038 0.000 2.869 1377 T HA -0.103 4.249 4.350 0.004 0.000 0.270 1377 T C 1.194 175.917 174.700 0.037 0.000 1.082 1377 T CA 1.109 63.232 62.100 0.038 0.000 1.123 1377 T CB -0.396 68.486 68.868 0.024 0.000 0.856 1377 T HN 0.302 nan 8.240 nan 0.000 0.499 1378 Q N 1.341 121.164 119.800 0.038 0.000 3.247 1378 Q HA 0.383 4.726 4.340 0.004 0.000 0.326 1378 Q C 1.462 177.488 176.000 0.042 0.000 1.402 1378 Q CA 0.192 56.018 55.803 0.038 0.000 0.994 1378 Q CB -0.882 27.882 28.738 0.042 0.000 1.647 1378 Q HN 0.685 nan 8.270 nan 0.000 0.523 1379 G N 1.072 109.897 108.800 0.041 0.000 5.059 1379 G HA2 -0.394 3.568 3.960 0.004 0.000 0.336 1379 G HA3 -0.394 3.568 3.960 0.004 0.000 0.336 1379 G C 0.398 175.325 174.900 0.045 0.000 1.364 1379 G CA -0.004 45.120 45.100 0.040 0.000 1.020 1379 G HN 0.716 nan 8.290 nan 0.000 0.807 1380 G N -0.993 107.836 108.800 0.048 0.000 3.175 1380 G HA2 0.649 4.611 3.960 0.004 0.000 0.255 1380 G HA3 0.649 4.611 3.960 0.004 0.000 0.255 1380 G C -0.316 174.626 174.900 0.071 0.000 1.352 1380 G CA -0.591 44.543 45.100 0.056 0.000 1.037 1380 G HN 0.912 nan 8.290 nan 0.000 0.556 1381 L N 1.032 122.307 121.223 0.086 0.000 2.534 1381 L HA 0.213 4.555 4.340 0.004 0.000 0.271 1381 L C 0.056 176.990 176.870 0.107 0.000 1.178 1381 L CA 0.396 55.309 54.840 0.120 0.000 0.907 1381 L CB 0.406 42.560 42.059 0.159 0.000 1.164 1381 L HN 0.265 nan 8.230 nan 0.000 0.482 1382 T N 1.985 116.605 114.554 0.110 0.000 2.912 1382 T HA 0.246 4.599 4.350 0.004 0.000 0.326 1382 T C 0.239 175.020 174.700 0.136 0.000 1.080 1382 T CA -0.742 61.425 62.100 0.110 0.000 1.000 1382 T CB 1.040 69.965 68.868 0.096 0.000 1.008 1382 T HN 0.714 nan 8.240 nan 0.000 0.473 1383 S N 1.843 117.636 115.700 0.155 0.000 2.592 1383 S HA 0.133 4.605 4.470 0.004 0.000 0.256 1383 S C 0.891 175.630 174.600 0.231 0.000 1.369 1383 S CA -0.667 57.641 58.200 0.179 0.000 0.984 1383 S CB 0.270 63.584 63.200 0.189 0.000 0.919 1383 S HN 0.416 nan 8.310 nan 0.000 0.576 1384 V N 1.469 121.511 119.914 0.212 0.000 3.023 1384 V HA 0.267 4.389 4.120 0.004 0.000 0.384 1384 V C 0.198 176.563 176.094 0.451 0.000 1.289 1384 V CA -0.090 62.343 62.300 0.221 0.000 1.383 1384 V CB -1.560 30.256 31.823 -0.012 0.000 1.388 1384 V HN 0.993 nan 8.190 nan 0.000 0.551 1385 T N -0.888 113.915 114.554 0.414 0.000 2.831 1385 T HA 0.330 4.682 4.350 0.004 0.000 0.287 1385 T C 1.104 175.666 174.700 -0.230 0.000 1.070 1385 T CA -0.898 61.348 62.100 0.243 0.000 1.010 1385 T CB 1.551 70.599 68.868 0.299 0.000 1.264 1385 T HN 0.343 nan 8.240 nan 0.000 0.532 1386 R N 0.389 120.720 120.500 -0.282 0.000 2.377 1386 R HA -0.071 4.272 4.340 0.004 0.000 0.207 1386 R C 0.793 176.808 176.300 -0.475 0.000 1.075 1386 R CA 1.152 56.981 56.100 -0.451 0.000 1.035 1386 R CB -0.548 29.620 30.300 -0.221 0.000 0.857 1386 R HN 0.658 nan 8.270 nan 0.000 0.475 1387 H N 0.209 119.231 119.070 -0.081 0.000 2.406 1387 H HA 0.170 4.728 4.556 0.004 0.000 0.304 1387 H C 1.955 177.255 175.328 -0.047 0.000 1.042 1387 H CA 0.899 56.921 56.048 -0.042 0.000 1.360 1387 H CB -0.317 29.450 29.762 0.009 0.000 1.448 1387 H HN 0.328 nan 8.280 nan 0.000 0.553 1388 G N 2.142 111.010 108.800 0.114 0.000 2.707 1388 G HA2 -0.055 3.907 3.960 0.004 0.000 0.204 1388 G HA3 -0.055 3.907 3.960 0.004 0.000 0.204 1388 G C 0.732 175.667 174.900 0.058 0.000 1.435 1388 G CA 0.560 45.733 45.100 0.121 0.000 0.890 1388 G HN 0.313 nan 8.290 nan 0.000 0.552 1389 F N 1.687 121.598 119.950 -0.065 0.000 2.331 1389 F HA 0.343 4.872 4.527 0.004 0.000 0.293 1389 F C 0.883 176.605 175.800 -0.130 0.000 1.277 1389 F CA -0.446 57.490 58.000 -0.107 0.000 1.204 1389 F CB -0.512 38.391 39.000 -0.163 0.000 1.374 1389 F HN 0.769 nan 8.300 nan 0.000 0.520 1390 N N -0.134 118.433 118.700 -0.221 0.000 4.403 1390 N HA -0.387 4.356 4.740 0.004 0.000 0.268 1390 N C 0.109 175.498 175.510 -0.202 0.000 0.885 1390 N CA 1.421 54.312 53.050 -0.264 0.000 1.067 1390 N CB -0.688 37.544 38.487 -0.424 0.000 0.764 1390 N HN 1.337 nan 8.380 nan 0.000 0.634 1391 R N -3.802 116.598 120.500 -0.166 0.000 3.591 1391 R HA -0.194 4.148 4.340 0.004 0.000 0.268 1391 R C -0.352 175.909 176.300 -0.064 0.000 1.102 1391 R CA 1.698 57.734 56.100 -0.107 0.000 0.732 1391 R CB -3.094 27.143 30.300 -0.104 0.000 1.117 1391 R HN 1.394 nan 8.270 nan 0.000 0.472 1392 S N 0.007 115.676 115.700 -0.052 0.000 2.272 1392 S HA 0.237 4.710 4.470 0.004 0.000 0.207 1392 S C 0.418 175.007 174.600 -0.018 0.000 1.336 1392 S CA -0.367 57.819 58.200 -0.023 0.000 1.259 1392 S CB -0.162 63.035 63.200 -0.006 0.000 1.130 1392 S HN 0.600 nan 8.310 nan 0.000 0.444 1393 N N -0.048 118.636 118.700 -0.027 0.000 2.686 1393 N HA -0.296 4.446 4.740 0.004 0.000 0.249 1393 N C 0.443 175.940 175.510 -0.021 0.000 1.082 1393 N CA 1.316 54.350 53.050 -0.027 0.000 0.725 1393 N CB -2.281 36.196 38.487 -0.017 0.000 1.009 1393 N HN 0.569 nan 8.380 nan 0.000 0.545 1394 T N -0.363 114.178 114.554 -0.022 0.000 2.623 1394 T HA 0.204 4.557 4.350 0.004 0.000 0.254 1394 T C 1.254 175.951 174.700 -0.006 0.000 1.075 1394 T CA 1.457 63.551 62.100 -0.009 0.000 1.177 1394 T CB -0.178 68.688 68.868 -0.004 0.000 0.869 1394 T HN 0.663 nan 8.240 nan 0.000 0.403 1395 G N -0.568 108.225 108.800 -0.012 0.000 2.107 1395 G HA2 0.557 4.520 3.960 0.004 0.000 0.297 1395 G HA3 0.557 4.520 3.960 0.004 0.000 0.297 1395 G C 0.591 175.482 174.900 -0.015 0.000 1.543 1395 G CA 0.157 45.259 45.100 0.003 0.000 1.115 1395 G HN 0.393 nan 8.290 nan 0.000 0.550 1396 A N 2.287 125.074 122.820 -0.054 0.000 1.906 1396 A HA -0.199 4.123 4.320 0.004 0.000 0.222 1396 A C 2.436 179.971 177.584 -0.082 0.000 1.282 1396 A CA 2.112 54.054 52.037 -0.158 0.000 0.675 1396 A CB -0.658 18.087 19.000 -0.425 0.000 0.838 1396 A HN 0.822 nan 8.150 nan 0.000 0.469 1397 L N -1.731 119.519 121.223 0.045 0.000 2.079 1397 L HA -0.244 4.099 4.340 0.004 0.000 0.210 1397 L C 2.847 179.741 176.870 0.040 0.000 1.081 1397 L CA 1.975 56.866 54.840 0.085 0.000 0.752 1397 L CB -0.367 41.775 42.059 0.138 0.000 0.896 1397 L HN 0.700 nan 8.230 nan 0.000 0.433 1398 M N -0.246 119.374 119.600 0.033 0.000 2.074 1398 M HA -0.203 4.279 4.480 0.004 0.000 0.259 1398 M C 2.409 178.731 176.300 0.037 0.000 1.079 1398 M CA 1.711 57.033 55.300 0.036 0.000 1.119 1398 M CB -0.160 32.459 32.600 0.031 0.000 1.297 1398 M HN -0.028 nan 8.290 nan 0.000 0.416 1399 R N -0.198 120.307 120.500 0.008 0.000 2.226 1399 R HA -0.222 4.121 4.340 0.004 0.000 0.246 1399 R C 2.505 178.814 176.300 0.015 0.000 1.161 1399 R CA 1.450 57.547 56.100 -0.006 0.000 0.997 1399 R CB -1.270 28.994 30.300 -0.059 0.000 0.870 1399 R HN 0.673 nan 8.270 nan 0.000 0.465 1400 C N 0.770 120.066 119.300 -0.006 0.000 2.450 1400 C HA 0.029 4.491 4.460 0.004 0.000 0.279 1400 C C 2.316 177.315 174.990 0.015 0.000 1.335 1400 C CA 0.742 59.745 59.018 -0.024 0.000 1.749 1400 C CB -0.681 27.026 27.740 -0.055 0.000 1.963 1400 C HN 0.490 nan 8.230 nan 0.000 0.501 1401 S N -0.965 114.768 115.700 0.054 0.000 2.803 1401 S HA 0.150 4.622 4.470 0.004 0.000 0.228 1401 S C 0.734 175.417 174.600 0.138 0.000 0.953 1401 S CA 0.082 58.322 58.200 0.067 0.000 0.983 1401 S CB -0.678 62.559 63.200 0.061 0.000 0.784 1401 S HN 0.755 nan 8.310 nan 0.000 0.498 1402 F N 1.407 121.351 119.950 -0.009 0.000 2.536 1402 F HA 0.571 5.100 4.527 0.004 0.000 0.278 1402 F C 0.309 176.112 175.800 0.005 0.000 0.945 1402 F CA -0.032 57.977 58.000 0.015 0.000 1.244 1402 F CB 0.485 39.502 39.000 0.029 0.000 1.118 1402 F HN 0.233 nan 8.300 nan 0.000 0.725 1403 E N -0.126 119.958 120.200 -0.195 0.000 2.401 1403 E HA 0.249 4.601 4.350 0.004 0.000 0.280 1403 E C -1.378 175.156 176.600 -0.111 0.000 1.039 1403 E CA -0.585 55.623 56.400 -0.321 0.000 0.814 1403 E CB 1.573 30.985 29.700 -0.480 0.000 1.275 1403 E HN 0.186 nan 8.360 nan 0.000 0.448 1404 E N 0.706 120.834 120.200 -0.119 0.000 2.252 1404 E HA -0.212 4.140 4.350 0.004 0.000 0.199 1404 E C 0.007 176.546 176.600 -0.103 0.000 1.352 1404 E CA 0.669 57.013 56.400 -0.094 0.000 0.682 1404 E CB -1.273 28.380 29.700 -0.079 0.000 1.142 1404 E HN 0.567 nan 8.360 nan 0.000 0.367 1405 T N -1.153 113.331 114.554 -0.117 0.000 2.851 1405 T HA -0.070 4.282 4.350 0.004 0.000 0.262 1405 T C 1.886 176.463 174.700 -0.204 0.000 1.043 1405 T CA 1.212 63.233 62.100 -0.131 0.000 1.140 1405 T CB 0.203 69.004 68.868 -0.112 0.000 0.872 1405 T HN 0.195 nan 8.240 nan 0.000 0.446 1406 V N 3.027 122.786 119.914 -0.259 0.000 2.249 1406 V HA -0.128 3.994 4.120 0.004 0.000 0.239 1406 V C 2.775 178.544 176.094 -0.542 0.000 1.038 1406 V CA 1.547 63.548 62.300 -0.499 0.000 1.005 1406 V CB -0.937 30.589 31.823 -0.494 0.000 0.646 1406 V HN 0.494 nan 8.190 nan 0.000 0.455 1407 E N 0.793 120.847 120.200 -0.243 0.000 2.233 1407 E HA -0.305 4.048 4.350 0.004 0.000 0.210 1407 E C 2.144 178.700 176.600 -0.074 0.000 1.046 1407 E CA 2.089 58.468 56.400 -0.034 0.000 0.844 1407 E CB -0.883 28.811 29.700 -0.010 0.000 0.741 1407 E HN 0.463 nan 8.360 nan 0.000 0.465 1408 I N 1.387 121.872 120.570 -0.143 0.000 2.133 1408 I HA -0.183 3.989 4.170 0.004 0.000 0.238 1408 I C 2.764 178.755 176.117 -0.210 0.000 1.074 1408 I CA 0.897 62.105 61.300 -0.153 0.000 1.342 1408 I CB -0.982 36.930 38.000 -0.148 0.000 1.053 1408 I HN 0.105 nan 8.210 nan 0.000 0.404 1409 L N -0.881 120.178 121.223 -0.273 0.000 2.083 1409 L HA -0.229 4.113 4.340 0.004 0.000 0.209 1409 L C 2.597 179.374 176.870 -0.153 0.000 1.083 1409 L CA 1.335 55.990 54.840 -0.308 0.000 0.752 1409 L CB -0.756 41.141 42.059 -0.271 0.000 0.899 1409 L HN 0.100 nan 8.230 nan 0.000 0.433 1410 F N 0.951 120.826 119.950 -0.126 0.000 2.010 1410 F HA -0.280 4.249 4.527 0.004 0.000 0.296 1410 F C 2.828 178.647 175.800 0.031 0.000 1.146 1410 F CA 1.489 59.414 58.000 -0.125 0.000 1.181 1410 F CB -0.348 38.452 39.000 -0.334 0.000 0.965 1410 F HN 0.198 nan 8.300 nan 0.000 0.480 1411 E N 0.998 121.306 120.200 0.180 0.000 2.209 1411 E HA -0.202 4.150 4.350 0.004 0.000 0.196 1411 E C 2.042 178.611 176.600 -0.051 0.000 0.993 1411 E CA 1.008 57.446 56.400 0.064 0.000 0.819 1411 E CB -0.515 29.172 29.700 -0.023 0.000 0.745 1411 E HN 0.390 nan 8.360 nan 0.000 0.477 1412 A N 1.554 124.296 122.820 -0.129 0.000 2.019 1412 A HA -0.009 4.313 4.320 0.004 0.000 0.219 1412 A C 2.405 179.885 177.584 -0.172 0.000 1.164 1412 A CA 1.396 53.257 52.037 -0.295 0.000 0.644 1412 A CB -0.783 17.829 19.000 -0.648 0.000 0.805 1412 A HN 0.430 nan 8.150 nan 0.000 0.449 1413 G N -1.599 107.213 108.800 0.019 0.000 2.683 1413 G HA2 0.276 4.239 3.960 0.004 0.000 0.213 1413 G HA3 0.276 4.239 3.960 0.004 0.000 0.213 1413 G C 1.325 176.277 174.900 0.087 0.000 1.142 1413 G CA 0.911 46.122 45.100 0.185 0.000 0.793 1413 G HN 0.690 nan 8.290 nan 0.000 0.534 1414 A N 0.205 123.019 122.820 -0.011 0.000 2.095 1414 A HA 0.361 4.683 4.320 0.004 0.000 0.212 1414 A C 2.285 179.615 177.584 -0.424 0.000 1.162 1414 A CA 1.304 53.172 52.037 -0.281 0.000 0.753 1414 A CB 0.097 18.874 19.000 -0.371 0.000 0.840 1414 A HN 0.183 nan 8.150 nan 0.000 0.468 1415 S N -0.843 114.694 115.700 -0.273 0.000 2.524 1415 S HA 0.401 4.874 4.470 0.004 0.000 0.216 1415 S C 1.014 175.521 174.600 -0.155 0.000 0.987 1415 S CA 0.595 58.638 58.200 -0.263 0.000 0.909 1415 S CB -0.027 63.055 63.200 -0.197 0.000 0.781 1415 S HN 1.616 nan 8.310 nan 0.000 0.521 1416 A N 1.921 124.684 122.820 -0.095 0.000 2.578 1416 A HA -0.189 4.133 4.320 0.004 0.000 0.298 1416 A C 0.004 177.527 177.584 -0.102 0.000 1.472 1416 A CA 0.460 52.451 52.037 -0.076 0.000 0.734 1416 A CB -1.944 17.012 19.000 -0.072 0.000 1.091 1416 A HN 0.551 nan 8.150 nan 0.000 0.426 1417 E N -0.865 119.317 120.200 -0.030 0.000 2.316 1417 E HA 0.377 4.729 4.350 0.004 0.000 0.275 1417 E C 0.004 176.631 176.600 0.044 0.000 1.029 1417 E CA -0.611 55.780 56.400 -0.015 0.000 0.871 1417 E CB 0.853 30.521 29.700 -0.053 0.000 1.022 1417 E HN 0.609 nan 8.360 nan 0.000 0.418 1418 L N 3.425 124.633 121.223 -0.025 0.000 2.275 1418 L HA 0.248 4.590 4.340 0.004 0.000 0.288 1418 L C -0.720 176.168 176.870 0.030 0.000 1.046 1418 L CA -0.164 54.659 54.840 -0.029 0.000 0.805 1418 L CB 1.248 43.258 42.059 -0.082 0.000 1.193 1418 L HN 0.342 nan 8.230 nan 0.000 0.426 1419 D N 2.567 123.004 120.400 0.061 0.000 2.329 1419 D HA 0.149 4.791 4.640 0.004 0.000 0.232 1419 D C 0.680 177.000 176.300 0.033 0.000 1.088 1419 D CA -0.085 53.962 54.000 0.079 0.000 0.835 1419 D CB 1.197 42.094 40.800 0.162 0.000 1.078 1419 D HN 0.641 nan 8.370 nan 0.000 0.495 1420 D N 2.316 122.732 120.400 0.027 0.000 2.149 1420 D HA -0.201 4.441 4.640 0.004 0.000 0.194 1420 D C 0.617 176.927 176.300 0.017 0.000 1.001 1420 D CA 0.830 54.840 54.000 0.017 0.000 0.849 1420 D CB 0.019 40.831 40.800 0.019 0.000 0.939 1420 D HN 0.633 nan 8.370 nan 0.000 0.449 1421 C N -0.914 118.399 119.300 0.022 0.000 4.497 1421 C HA -0.153 4.309 4.460 0.004 0.000 0.292 1421 C C 1.621 176.620 174.990 0.014 0.000 1.366 1421 C CA 0.107 59.135 59.018 0.017 0.000 1.987 1421 C CB -2.324 25.419 27.740 0.006 0.000 1.241 1421 C HN 0.422 nan 8.230 nan 0.000 0.788 1422 R N 0.356 120.867 120.500 0.019 0.000 2.195 1422 R HA 0.180 4.522 4.340 0.004 0.000 0.197 1422 R C 1.530 177.840 176.300 0.017 0.000 0.990 1422 R CA 0.896 57.009 56.100 0.021 0.000 1.048 1422 R CB -0.012 30.308 30.300 0.033 0.000 0.997 1422 R HN 0.617 nan 8.270 nan 0.000 0.502 1423 G N 0.621 109.432 108.800 0.019 0.000 2.664 1423 G HA2 0.193 4.156 3.960 0.004 0.000 0.242 1423 G HA3 0.193 4.156 3.960 0.004 0.000 0.242 1423 G C 1.245 176.149 174.900 0.007 0.000 1.225 1423 G CA -0.503 44.606 45.100 0.015 0.000 0.849 1423 G HN -0.121 nan 8.290 nan 0.000 0.581 1424 V N 1.352 121.267 119.914 0.001 0.000 2.215 1424 V HA -0.228 3.894 4.120 0.004 0.000 0.246 1424 V C 3.074 179.169 176.094 0.002 0.000 1.047 1424 V CA 2.558 64.855 62.300 -0.006 0.000 0.999 1424 V CB -1.112 30.704 31.823 -0.011 0.000 0.635 1424 V HN 0.715 nan 8.190 nan 0.000 0.450 1425 S N -0.727 114.979 115.700 0.010 0.000 2.387 1425 S HA -0.283 4.189 4.470 0.004 0.000 0.230 1425 S C 1.925 176.537 174.600 0.020 0.000 1.035 1425 S CA 1.917 60.128 58.200 0.018 0.000 1.014 1425 S CB -0.464 62.754 63.200 0.031 0.000 0.836 1425 S HN 0.676 nan 8.310 nan 0.000 0.466 1426 E N 0.725 120.939 120.200 0.023 0.000 2.160 1426 E HA -0.143 4.210 4.350 0.004 0.000 0.195 1426 E C 1.477 178.087 176.600 0.015 0.000 0.991 1426 E CA 1.154 57.571 56.400 0.027 0.000 0.810 1426 E CB -0.184 29.535 29.700 0.031 0.000 0.742 1426 E HN 0.563 nan 8.360 nan 0.000 0.466 1427 N N -0.950 117.753 118.700 0.006 0.000 2.373 1427 N HA -0.009 4.734 4.740 0.004 0.000 0.181 1427 N C 1.294 176.802 175.510 -0.004 0.000 1.082 1427 N CA -0.115 52.934 53.050 -0.003 0.000 0.885 1427 N CB 0.656 39.136 38.487 -0.010 0.000 0.977 1427 N HN -0.085 nan 8.380 nan 0.000 0.462 1428 V N 1.002 120.916 119.914 -0.000 0.000 2.407 1428 V HA -0.028 4.094 4.120 0.004 0.000 0.245 1428 V C 1.496 177.594 176.094 0.005 0.000 1.041 1428 V CA 1.097 63.397 62.300 0.000 0.000 1.040 1428 V CB -0.153 31.671 31.823 0.001 0.000 0.671 1428 V HN 0.305 nan 8.190 nan 0.000 0.455 1429 I N -0.063 120.513 120.570 0.011 0.000 3.492 1429 I HA -0.070 4.103 4.170 0.004 0.000 0.305 1429 I C 1.171 177.294 176.117 0.011 0.000 1.256 1429 I CA 1.081 62.390 61.300 0.015 0.000 1.244 1429 I CB -0.199 37.816 38.000 0.026 0.000 1.001 1429 I HN 0.289 nan 8.210 nan 0.000 0.536 1430 L N -0.494 120.731 121.223 0.004 0.000 3.500 1430 L HA 0.309 4.652 4.340 0.004 0.000 0.320 1430 L C 1.347 178.214 176.870 -0.004 0.000 1.205 1430 L CA 0.059 54.898 54.840 -0.001 0.000 1.117 1430 L CB 0.664 42.720 42.059 -0.005 0.000 1.542 1430 L HN 0.276 nan 8.230 nan 0.000 0.622 1431 G N 1.230 110.028 108.800 -0.003 0.000 2.198 1431 G HA2 -0.276 3.686 3.960 0.004 0.000 0.260 1431 G HA3 -0.276 3.686 3.960 0.004 0.000 0.260 1431 G C 0.034 174.927 174.900 -0.011 0.000 1.025 1431 G CA 0.349 45.446 45.100 -0.005 0.000 0.769 1431 G HN 0.433 nan 8.290 nan 0.000 0.507 1432 Q N -1.239 118.552 119.800 -0.014 0.000 2.241 1432 Q HA 0.683 5.025 4.340 0.004 0.000 0.262 1432 Q C 0.468 176.452 176.000 -0.026 0.000 1.014 1432 Q CA -0.971 54.820 55.803 -0.020 0.000 0.885 1432 Q CB 1.374 30.101 28.738 -0.020 0.000 1.311 1432 Q HN 0.364 nan 8.270 nan 0.000 0.461 1433 M N 1.562 121.140 119.600 -0.036 0.000 2.184 1433 M HA 0.330 4.812 4.480 0.004 0.000 0.351 1433 M C -0.937 175.332 176.300 -0.052 0.000 1.395 1433 M CA -0.171 55.100 55.300 -0.049 0.000 1.117 1433 M CB 0.506 33.068 32.600 -0.064 0.000 1.708 1433 M HN 0.733 nan 8.290 nan 0.000 0.468 1434 A N 7.019 129.808 122.820 -0.051 0.000 2.309 1434 A HA 0.572 4.895 4.320 0.004 0.000 0.298 1434 A C -2.436 175.111 177.584 -0.062 0.000 1.165 1434 A CA -1.603 50.406 52.037 -0.046 0.000 0.821 1434 A CB -0.191 18.787 19.000 -0.036 0.000 1.102 1434 A HN 0.598 nan 8.150 nan 0.000 0.500 1435 P HA 0.173 nan 4.420 nan 0.000 0.248 1435 P C -1.019 176.235 177.300 -0.076 0.000 1.254 1435 P CA 1.162 64.223 63.100 -0.064 0.000 1.252 1435 P CB -0.484 31.193 31.700 -0.038 0.000 1.465 1436 I N 0.929 121.447 120.570 -0.087 0.000 2.680 1436 I HA 0.285 4.457 4.170 0.004 0.000 0.291 1436 I C 1.361 177.435 176.117 -0.072 0.000 1.244 1436 I CA -0.679 60.573 61.300 -0.080 0.000 1.042 1436 I CB 2.033 39.993 38.000 -0.066 0.000 1.277 1436 I HN 0.370 nan 8.210 nan 0.000 0.423 1437 G N 3.806 112.576 108.800 -0.050 0.000 2.767 1437 G HA2 -0.422 3.540 3.960 0.004 0.000 0.360 1437 G HA3 -0.422 3.540 3.960 0.004 0.000 0.360 1437 G C 1.102 176.034 174.900 0.053 0.000 1.050 1437 G CA 1.814 46.919 45.100 0.007 0.000 0.914 1437 G HN 0.561 nan 8.290 nan 0.000 0.805 1438 T N 1.165 115.714 114.554 -0.007 0.000 2.680 1438 T HA -0.083 4.269 4.350 0.004 0.000 0.268 1438 T C 2.070 176.523 174.700 -0.411 0.000 1.033 1438 T CA 2.491 64.538 62.100 -0.088 0.000 1.152 1438 T CB -0.616 68.210 68.868 -0.069 0.000 0.859 1438 T HN 1.184 nan 8.240 nan 0.000 0.452 1439 G N -0.436 108.177 108.800 -0.312 0.000 3.523 1439 G HA2 0.444 4.406 3.960 0.004 0.000 0.270 1439 G HA3 0.444 4.406 3.960 0.004 0.000 0.270 1439 G C 1.267 175.976 174.900 -0.317 0.000 1.134 1439 G CA 0.484 45.361 45.100 -0.371 0.000 0.825 1439 G HN 0.511 nan 8.290 nan 0.000 0.534 1440 A N 0.308 122.980 122.820 -0.247 0.000 2.119 1440 A HA 0.452 4.775 4.320 0.004 0.000 0.217 1440 A C 0.696 178.423 177.584 0.238 0.000 1.153 1440 A CA 0.499 52.584 52.037 0.081 0.000 0.692 1440 A CB -0.378 18.787 19.000 0.274 0.000 0.799 1440 A HN 0.585 nan 8.150 nan 0.000 0.458 1441 F N -3.341 116.667 119.950 0.097 0.000 2.675 1441 F HA 0.783 5.312 4.527 0.004 0.000 0.324 1441 F C -0.846 174.970 175.800 0.026 0.000 1.106 1441 F CA -1.784 56.257 58.000 0.068 0.000 0.970 1441 F CB 0.511 39.549 39.000 0.063 0.000 1.385 1441 F HN -0.232 nan 8.300 nan 0.000 0.489 1442 D N 0.069 120.581 120.400 0.186 0.000 2.487 1442 D HA 0.689 5.332 4.640 0.004 0.000 0.262 1442 D C -1.040 175.366 176.300 0.176 0.000 1.130 1442 D CA -0.312 53.738 54.000 0.084 0.000 1.038 1442 D CB 2.257 43.087 40.800 0.050 0.000 1.142 1442 D HN 0.399 nan 8.370 nan 0.000 0.575 1443 V N 1.139 121.111 119.914 0.096 0.000 2.709 1443 V HA 0.537 4.659 4.120 0.004 0.000 0.308 1443 V C -0.176 175.952 176.094 0.056 0.000 1.062 1443 V CA -0.602 61.759 62.300 0.102 0.000 0.901 1443 V CB 1.685 33.563 31.823 0.092 0.000 1.003 1443 V HN 0.410 nan 8.190 nan 0.000 0.425 1444 M N 4.734 124.363 119.600 0.048 0.000 2.664 1444 M HA 0.651 5.134 4.480 0.004 0.000 0.279 1444 M C -1.021 175.295 176.300 0.026 0.000 1.275 1444 M CA -0.687 54.631 55.300 0.031 0.000 0.829 1444 M CB 2.675 35.290 32.600 0.025 0.000 1.727 1444 M HN 0.629 nan 8.290 nan 0.000 0.459 1445 I N -0.541 120.041 120.570 0.020 0.000 2.331 1445 I HA 0.332 4.505 4.170 0.004 0.000 0.292 1445 I C 0.405 176.530 176.117 0.013 0.000 0.998 1445 I CA -0.547 60.763 61.300 0.017 0.000 1.267 1445 I CB 0.758 38.768 38.000 0.017 0.000 1.386 1445 I HN 0.650 nan 8.210 nan 0.000 0.476 1446 D N 3.181 123.587 120.400 0.011 0.000 2.339 1446 D HA 0.049 4.691 4.640 0.004 0.000 0.217 1446 D C 0.437 176.741 176.300 0.007 0.000 1.050 1446 D CA -0.117 53.888 54.000 0.007 0.000 0.856 1446 D CB 0.042 40.845 40.800 0.004 0.000 0.922 1446 D HN 0.787 nan 8.370 nan 0.000 0.518 1447 E N 0.445 120.650 120.200 0.008 0.000 3.675 1447 E HA -0.337 4.015 4.350 0.004 0.000 0.252 1447 E C 0.728 177.331 176.600 0.006 0.000 1.502 1447 E CA 1.590 57.994 56.400 0.008 0.000 2.293 1447 E CB -0.766 28.938 29.700 0.007 0.000 2.078 1447 E HN 0.146 nan 8.360 nan 0.000 0.461 1448 E N -1.826 118.378 120.200 0.005 0.000 3.991 1448 E HA -0.324 4.029 4.350 0.004 0.000 0.331 1448 E C -0.511 176.091 176.600 0.005 0.000 0.628 1448 E CA 1.675 58.078 56.400 0.005 0.000 1.192 1448 E CB -1.268 28.434 29.700 0.003 0.000 1.683 1448 E HN 0.375 nan 8.360 nan 0.000 0.416 1449 S N 0.424 116.128 115.700 0.006 0.000 2.383 1449 S HA 0.433 4.905 4.470 0.004 0.000 0.196 1449 S C 0.158 174.762 174.600 0.008 0.000 1.364 1449 S CA -0.133 58.071 58.200 0.006 0.000 1.212 1449 S CB 0.103 63.306 63.200 0.006 0.000 1.171 1449 S HN 0.283 nan 8.310 nan 0.000 0.456 1450 L N 2.481 123.709 121.223 0.008 0.000 3.678 1450 L HA -0.128 4.214 4.340 0.004 0.000 0.425 1450 L C 0.053 176.926 176.870 0.006 0.000 1.240 1450 L CA 0.883 55.727 54.840 0.006 0.000 0.876 1450 L CB -2.931 39.132 42.059 0.006 0.000 1.766 1450 L HN 0.625 nan 8.230 nan 0.000 0.917 1451 V N 0.000 119.918 119.914 0.006 0.000 2.409 1451 V HA 0.000 4.122 4.120 0.004 0.000 0.244 1451 V CA 0.000 62.303 62.300 0.006 0.000 1.235 1451 V CB 0.000 31.826 31.823 0.005 0.000 1.184 1451 V HN 0.000 nan 8.190 nan 0.000 0.556