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 3gtp_1_A DATA FIRST_RESID 3 DATA SEQUENCE GQQYSSAPLR TVKEVQFGLF SPEEVRAISV AKIRFPETMD ETQTRAKIGG DATA SEQUENCE LNDPRLGSID RNLKcQTCQE GMNEcPGHFG HIDLAKPVFH VGFIAKIKKV DATA SEQUENCE CECVCMHCGK LLLDEHNELM RQALAIKDSK KRFAAIWTLC KTKMVCETDV DATA SEQUENCE PSXXXXXXLV SRGGCGNTQP TIRKDGLKLV GSWKXXXXXX XXXXXXLRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLX XXXXXXXXXK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VXXXXXXXXX DATA SEQUENCE XAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 3 G C 0.000 174.895 174.900 -0.008 0.000 0.946 3 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 4 Q N -0.089 119.707 119.800 -0.006 0.000 3.156 4 Q HA 0.678 5.019 4.340 0.002 0.000 0.301 4 Q C -0.679 175.328 176.000 0.013 0.000 1.026 4 Q CA -0.790 55.017 55.803 0.005 0.000 0.827 4 Q CB 1.115 29.857 28.738 0.008 0.000 1.490 4 Q HN 0.303 nan 8.270 nan 0.000 0.492 5 Q N -0.398 119.421 119.800 0.032 0.000 2.185 5 Q HA 0.286 4.627 4.340 0.002 0.000 0.225 5 Q C -1.198 174.855 176.000 0.088 0.000 0.983 5 Q CA -0.616 55.227 55.803 0.066 0.000 0.950 5 Q CB 0.631 29.416 28.738 0.078 0.000 1.176 5 Q HN 0.439 nan 8.270 nan 0.000 0.510 6 Y N 0.434 120.739 120.300 0.008 0.000 2.610 6 Y HA 0.026 4.578 4.550 0.002 0.000 0.332 6 Y C -0.052 175.854 175.900 0.010 0.000 1.201 6 Y CA 0.523 58.629 58.100 0.010 0.000 1.465 6 Y CB 0.782 39.249 38.460 0.010 0.000 1.283 6 Y HN 0.388 nan 8.280 nan 0.000 0.563 7 S N 2.428 118.283 115.700 0.258 0.000 2.502 7 S HA 0.230 4.701 4.470 0.002 0.000 0.304 7 S C 0.295 175.040 174.600 0.242 0.000 1.097 7 S CA -0.479 57.839 58.200 0.196 0.000 1.045 7 S CB 0.942 64.195 63.200 0.088 0.000 1.019 7 S HN 0.761 nan 8.310 nan 0.000 0.481 8 S N 2.941 118.741 115.700 0.167 0.000 2.660 8 S HA 0.332 4.804 4.470 0.002 0.000 0.223 8 S C 0.670 175.322 174.600 0.087 0.000 0.963 8 S CA -0.040 58.233 58.200 0.121 0.000 0.932 8 S CB -0.303 62.932 63.200 0.059 0.000 0.775 8 S HN 0.889 nan 8.310 nan 0.000 0.531 9 A N 2.589 125.457 122.820 0.079 0.000 2.306 9 A HA 0.790 5.112 4.320 0.002 0.000 0.330 9 A C -2.509 175.104 177.584 0.049 0.000 1.146 9 A CA -1.791 50.278 52.037 0.054 0.000 0.827 9 A CB 0.415 19.440 19.000 0.041 0.000 1.178 9 A HN 0.282 nan 8.150 nan 0.000 0.490 10 P HA 0.502 nan 4.420 nan 0.000 0.283 10 P C -0.975 176.333 177.300 0.013 0.000 1.271 10 P CA -0.697 62.418 63.100 0.025 0.000 0.841 10 P CB 0.797 32.512 31.700 0.025 0.000 1.122 11 L N 1.824 123.048 121.223 0.001 0.000 2.290 11 L HA 0.449 4.790 4.340 0.002 0.000 0.284 11 L C 0.092 176.962 176.870 -0.000 0.000 1.078 11 L CA 0.368 55.206 54.840 -0.003 0.000 0.815 11 L CB -0.072 41.978 42.059 -0.015 0.000 1.162 11 L HN 0.344 nan 8.230 nan 0.000 0.435 12 R N 1.892 122.392 120.500 0.001 0.000 2.922 12 R HA 0.745 5.086 4.340 0.002 0.000 0.256 12 R C -0.670 175.629 176.300 -0.001 0.000 1.138 12 R CA -0.657 55.443 56.100 0.001 0.000 0.995 12 R CB 1.910 32.212 30.300 0.003 0.000 1.226 12 R HN 0.716 nan 8.270 nan 0.000 0.481 13 T N -0.270 114.283 114.554 -0.002 0.000 2.936 13 T HA 0.417 4.768 4.350 0.002 0.000 0.282 13 T C -0.275 174.422 174.700 -0.005 0.000 1.003 13 T CA -0.783 61.315 62.100 -0.004 0.000 1.005 13 T CB 1.422 70.286 68.868 -0.006 0.000 1.097 13 T HN 0.101 nan 8.240 nan 0.000 0.532 14 V N 2.056 121.966 119.914 -0.007 0.000 2.607 14 V HA 0.332 4.453 4.120 0.002 0.000 0.289 14 V C 0.664 176.749 176.094 -0.016 0.000 1.053 14 V CA -0.238 62.054 62.300 -0.012 0.000 0.996 14 V CB 1.306 33.121 31.823 -0.013 0.000 0.995 14 V HN 0.796 nan 8.190 nan 0.000 0.476 15 K N 1.586 121.973 120.400 -0.021 0.000 2.567 15 K HA 0.348 4.670 4.320 0.002 0.000 0.199 15 K C 0.187 176.766 176.600 -0.035 0.000 1.412 15 K CA 0.221 56.495 56.287 -0.022 0.000 1.020 15 K CB 0.828 33.318 32.500 -0.016 0.000 1.487 15 K HN 0.683 nan 8.250 nan 0.000 0.531 16 E N 1.042 121.214 120.200 -0.047 0.000 2.238 16 E HA 0.458 4.810 4.350 0.002 0.000 0.267 16 E C -1.215 175.320 176.600 -0.108 0.000 0.887 16 E CA -0.715 55.641 56.400 -0.073 0.000 0.769 16 E CB 2.963 32.624 29.700 -0.064 0.000 1.187 16 E HN -0.259 nan 8.360 nan 0.000 0.416 17 V N 2.838 122.643 119.914 -0.180 0.000 2.487 17 V HA 0.241 4.362 4.120 0.002 0.000 0.298 17 V C -0.629 175.206 176.094 -0.433 0.000 1.028 17 V CA -0.760 61.355 62.300 -0.307 0.000 0.860 17 V CB 1.779 33.364 31.823 -0.395 0.000 0.991 17 V HN 0.563 nan 8.190 nan 0.000 0.427 18 Q N 4.126 123.714 119.800 -0.353 0.000 2.523 18 Q HA 0.462 4.803 4.340 0.002 0.000 0.251 18 Q C -0.933 175.003 176.000 -0.106 0.000 1.033 18 Q CA -0.306 55.375 55.803 -0.203 0.000 0.746 18 Q CB 1.177 29.950 28.738 0.060 0.000 1.189 18 Q HN 0.641 nan 8.270 nan 0.000 0.508 19 F N 0.517 120.509 119.950 0.071 0.000 2.518 19 F HA 0.493 5.022 4.527 0.002 0.000 0.359 19 F C 1.467 177.342 175.800 0.125 0.000 1.118 19 F CA 0.469 58.513 58.000 0.073 0.000 1.287 19 F CB 1.012 40.037 39.000 0.043 0.000 1.132 19 F HN 0.506 nan 8.300 nan 0.000 0.587 20 G N 2.360 111.342 108.800 0.303 0.000 2.772 20 G HA2 0.682 4.644 3.960 0.002 0.000 0.284 20 G HA3 0.682 4.644 3.960 0.002 0.000 0.284 20 G C -1.641 173.306 174.900 0.080 0.000 1.217 20 G CA -0.818 44.407 45.100 0.207 0.000 0.831 20 G HN 0.482 nan 8.290 nan 0.000 0.523 21 L N -0.990 120.222 121.223 -0.019 0.000 2.322 21 L HA 0.596 4.937 4.340 0.002 0.000 0.252 21 L C -1.372 175.284 176.870 -0.357 0.000 1.055 21 L CA -0.806 54.004 54.840 -0.050 0.000 0.849 21 L CB 2.656 44.792 42.059 0.127 0.000 1.446 21 L HN 0.447 nan 8.230 nan 0.000 0.416 22 F N 0.795 120.628 119.950 -0.194 0.000 2.308 22 F HA 0.214 4.742 4.527 0.002 0.000 0.370 22 F C 0.614 176.052 175.800 -0.604 0.000 1.100 22 F CA -0.626 57.162 58.000 -0.352 0.000 1.108 22 F CB 1.609 40.499 39.000 -0.183 0.000 1.293 22 F HN 0.359 nan 8.300 nan 0.000 0.478 23 S N 4.566 119.696 115.700 -0.949 0.000 2.533 23 S HA 0.114 4.585 4.470 0.002 0.000 0.282 23 S C -1.600 172.777 174.600 -0.373 0.000 1.304 23 S CA -1.147 56.338 58.200 -1.191 0.000 1.063 23 S CB 0.953 63.349 63.200 -1.340 0.000 0.881 23 S HN 0.413 nan 8.310 nan 0.000 0.493 24 P HA -0.192 nan 4.420 nan 0.000 0.217 24 P C 1.239 178.513 177.300 -0.043 0.000 1.148 24 P CA 1.296 64.373 63.100 -0.037 0.000 0.828 24 P CB 0.127 31.851 31.700 0.039 0.000 0.783 25 E N 0.008 120.172 120.200 -0.060 0.000 2.048 25 E HA -0.236 4.115 4.350 0.002 0.000 0.202 25 E C 2.244 178.796 176.600 -0.080 0.000 1.021 25 E CA 1.468 57.842 56.400 -0.044 0.000 0.825 25 E CB -0.227 29.462 29.700 -0.018 0.000 0.756 25 E HN 0.296 nan 8.360 nan 0.000 0.454 26 E N -0.371 119.748 120.200 -0.136 0.000 2.015 26 E HA -0.156 4.196 4.350 0.002 0.000 0.191 26 E C 2.270 178.841 176.600 -0.049 0.000 0.991 26 E CA 1.219 57.565 56.400 -0.091 0.000 0.802 26 E CB 0.019 29.652 29.700 -0.112 0.000 0.759 26 E HN 0.122 nan 8.360 nan 0.000 0.447 27 V N 1.548 121.444 119.914 -0.029 0.000 2.313 27 V HA -0.337 3.785 4.120 0.002 0.000 0.253 27 V C 2.340 178.367 176.094 -0.111 0.000 1.070 27 V CA 2.080 64.328 62.300 -0.087 0.000 1.057 27 V CB -0.639 31.120 31.823 -0.106 0.000 0.653 27 V HN 0.233 nan 8.190 nan 0.000 0.450 28 R N -0.102 120.331 120.500 -0.112 0.000 2.090 28 R HA 0.038 4.379 4.340 0.002 0.000 0.228 28 R C 2.271 178.402 176.300 -0.282 0.000 1.110 28 R CA 1.305 57.250 56.100 -0.259 0.000 0.973 28 R CB -0.429 29.820 30.300 -0.085 0.000 0.869 28 R HN 0.541 nan 8.270 nan 0.000 0.440 29 A N 0.344 123.074 122.820 -0.149 0.000 2.208 29 A HA 0.025 4.346 4.320 0.002 0.000 0.209 29 A C 1.829 179.356 177.584 -0.096 0.000 1.161 29 A CA 0.444 52.414 52.037 -0.111 0.000 0.782 29 A CB -0.136 18.823 19.000 -0.069 0.000 0.816 29 A HN 0.251 nan 8.150 nan 0.000 0.477 30 I N -0.472 120.038 120.570 -0.100 0.000 3.228 30 I HA 0.000 4.171 4.170 0.002 0.000 0.279 30 I C 1.276 177.383 176.117 -0.016 0.000 1.221 30 I CA 0.768 62.041 61.300 -0.045 0.000 1.458 30 I CB 0.204 38.191 38.000 -0.021 0.000 1.105 30 I HN 0.437 nan 8.210 nan 0.000 0.445 31 S N -0.562 115.105 115.700 -0.055 0.000 2.767 31 S HA 0.360 4.831 4.470 0.002 0.000 0.300 31 S C 0.333 174.942 174.600 0.016 0.000 1.123 31 S CA -0.169 58.050 58.200 0.032 0.000 0.992 31 S CB 1.751 65.005 63.200 0.089 0.000 1.138 31 S HN 0.029 nan 8.310 nan 0.000 0.550 32 V N -2.243 117.722 119.914 0.085 0.000 3.176 32 V HA 0.713 4.834 4.120 0.002 0.000 0.332 32 V C 0.492 176.650 176.094 0.107 0.000 1.414 32 V CA -0.043 62.300 62.300 0.071 0.000 1.133 32 V CB -0.929 30.939 31.823 0.075 0.000 1.088 32 V HN 0.998 nan 8.190 nan 0.000 0.473 33 A N 0.702 123.622 122.820 0.168 0.000 2.373 33 A HA 0.946 5.267 4.320 0.002 0.000 0.291 33 A C 0.598 178.334 177.584 0.254 0.000 1.171 33 A CA -0.261 51.898 52.037 0.203 0.000 0.922 33 A CB 1.974 21.096 19.000 0.203 0.000 1.400 33 A HN 0.270 nan 8.150 nan 0.000 0.474 34 K N -1.212 119.262 120.400 0.123 0.000 2.937 34 K HA 0.266 4.588 4.320 0.002 0.000 0.194 34 K C -0.535 176.018 176.600 -0.080 0.000 1.589 34 K CA 0.263 56.571 56.287 0.036 0.000 1.303 34 K CB 0.366 32.904 32.500 0.065 0.000 1.864 34 K HN 0.466 nan 8.250 nan 0.000 0.608 35 I N 2.719 123.276 120.570 -0.022 0.000 6.833 35 I HA -0.338 3.834 4.170 0.002 0.000 0.126 35 I C 0.339 176.403 176.117 -0.089 0.000 1.810 35 I CA 0.808 62.085 61.300 -0.038 0.000 2.119 35 I CB -1.979 35.976 38.000 -0.076 0.000 3.512 35 I HN 0.356 nan 8.210 nan 0.000 0.194 36 R N 0.029 120.479 120.500 -0.083 0.000 2.236 36 R HA 0.142 4.484 4.340 0.002 0.000 0.208 36 R C 0.146 176.045 176.300 -0.669 0.000 1.036 36 R CA 1.052 56.931 56.100 -0.368 0.000 1.001 36 R CB 0.192 30.231 30.300 -0.435 0.000 0.896 36 R HN 0.308 nan 8.270 nan 0.000 0.464 37 F N -0.411 119.517 119.950 -0.036 0.000 2.565 37 F HA 0.312 4.840 4.527 0.002 0.000 0.313 37 F C -1.773 174.007 175.800 -0.034 0.000 1.091 37 F CA -2.679 55.303 58.000 -0.032 0.000 0.915 37 F CB 2.130 41.115 39.000 -0.025 0.000 1.208 37 F HN -0.236 nan 8.300 nan 0.000 0.453 38 P HA 0.180 nan 4.420 nan 0.000 0.268 38 P C 0.032 177.363 177.300 0.052 0.000 1.329 38 P CA 0.316 63.447 63.100 0.052 0.000 0.899 38 P CB 0.562 32.270 31.700 0.013 0.000 1.378 39 E N -0.057 120.191 120.200 0.081 0.000 4.616 39 E HA 0.204 4.555 4.350 0.002 0.000 0.487 39 E C 1.117 177.737 176.600 0.033 0.000 1.290 39 E CA 0.756 57.180 56.400 0.040 0.000 3.081 39 E CB 0.033 29.749 29.700 0.026 0.000 1.792 39 E HN -0.052 nan 8.360 nan 0.000 0.672 40 T N -1.753 112.810 114.554 0.015 0.000 3.431 40 T HA 0.248 4.599 4.350 0.002 0.000 0.207 40 T C 0.766 175.461 174.700 -0.008 0.000 0.979 40 T CA -0.060 62.046 62.100 0.011 0.000 1.141 40 T CB 0.009 68.888 68.868 0.017 0.000 1.278 40 T HN 0.097 nan 8.240 nan 0.000 0.334 41 M N 0.570 120.160 119.600 -0.018 0.000 2.469 41 M HA 0.421 4.902 4.480 0.002 0.000 0.199 41 M C -1.016 175.258 176.300 -0.043 0.000 1.656 41 M CA -0.215 55.066 55.300 -0.033 0.000 1.833 41 M CB -0.092 32.491 32.600 -0.028 0.000 1.059 41 M HN -0.060 nan 8.290 nan 0.000 0.865 42 D N 3.700 124.077 120.400 -0.037 0.000 8.089 42 D HA -0.115 4.526 4.640 0.002 0.000 0.148 42 D C -0.642 175.627 176.300 -0.052 0.000 1.326 42 D CA 0.644 54.620 54.000 -0.040 0.000 0.871 42 D CB -0.541 40.241 40.800 -0.030 0.000 1.699 42 D HN 0.347 nan 8.370 nan 0.000 0.977 43 E N 0.391 120.551 120.200 -0.068 0.000 2.003 43 E HA 0.222 4.574 4.350 0.002 0.000 0.279 43 E C 0.235 176.799 176.600 -0.059 0.000 1.132 43 E CA -0.498 55.852 56.400 -0.083 0.000 0.888 43 E CB -0.164 29.469 29.700 -0.112 0.000 1.056 43 E HN 0.306 nan 8.360 nan 0.000 0.399 44 T N 1.732 116.257 114.554 -0.049 0.000 3.639 44 T HA -0.353 3.999 4.350 0.002 0.000 0.386 44 T C 0.513 175.195 174.700 -0.030 0.000 0.764 44 T CA 1.238 63.317 62.100 -0.035 0.000 1.954 44 T CB -2.047 66.802 68.868 -0.031 0.000 1.755 44 T HN 0.911 nan 8.240 nan 0.000 0.715 45 Q N -2.884 116.898 119.800 -0.030 0.000 2.406 45 Q HA -0.147 4.194 4.340 0.002 0.000 0.164 45 Q C -0.116 175.868 176.000 -0.027 0.000 0.570 45 Q CA 1.289 57.077 55.803 -0.026 0.000 1.324 45 Q CB -2.086 26.640 28.738 -0.021 0.000 1.119 45 Q HN 0.852 nan 8.270 nan 0.000 1.026 46 T N 1.768 116.302 114.554 -0.033 0.000 2.738 46 T HA 0.258 4.609 4.350 0.002 0.000 0.293 46 T C 0.265 174.946 174.700 -0.032 0.000 0.913 46 T CA -0.098 61.983 62.100 -0.032 0.000 1.103 46 T CB 0.374 69.219 68.868 -0.038 0.000 0.880 46 T HN 0.086 nan 8.240 nan 0.000 0.526 47 R N 2.661 123.145 120.500 -0.026 0.000 4.164 47 R HA 0.401 4.742 4.340 0.002 0.000 0.195 47 R C 0.868 177.154 176.300 -0.024 0.000 1.712 47 R CA -0.231 55.855 56.100 -0.025 0.000 1.457 47 R CB -0.520 29.767 30.300 -0.021 0.000 1.387 47 R HN 0.754 nan 8.270 nan 0.000 0.785 48 A N 0.571 123.374 122.820 -0.028 0.000 3.637 48 A HA 0.375 4.696 4.320 0.002 0.000 0.192 48 A C 0.669 178.238 177.584 -0.026 0.000 1.783 48 A CA 0.008 52.030 52.037 -0.026 0.000 1.891 48 A CB 0.605 19.587 19.000 -0.029 0.000 1.430 48 A HN 0.342 nan 8.150 nan 0.000 0.460 49 K N -1.269 119.113 120.400 -0.029 0.000 2.665 49 K HA 0.307 4.628 4.320 0.002 0.000 0.197 49 K C -0.190 176.390 176.600 -0.033 0.000 1.463 49 K CA 0.579 56.851 56.287 -0.025 0.000 1.107 49 K CB 0.339 32.829 32.500 -0.016 0.000 1.584 49 K HN 1.208 nan 8.250 nan 0.000 0.558 50 I N -0.940 119.602 120.570 -0.045 0.000 8.905 50 I HA -0.233 3.938 4.170 0.002 0.000 0.126 50 I C 0.390 176.482 176.117 -0.040 0.000 1.862 50 I CA 0.570 61.825 61.300 -0.074 0.000 2.041 50 I CB -0.543 37.379 38.000 -0.130 0.000 3.915 50 I HN 0.193 nan 8.210 nan 0.000 0.170 51 G N 4.138 112.914 108.800 -0.039 0.000 2.807 51 G HA2 0.315 4.276 3.960 0.002 0.000 0.207 51 G HA3 0.315 4.276 3.960 0.002 0.000 0.207 51 G C 1.005 175.995 174.900 0.151 0.000 1.151 51 G CA 0.622 45.750 45.100 0.047 0.000 0.800 51 G HN 1.357 nan 8.290 nan 0.000 0.523 52 G N 0.263 109.139 108.800 0.126 0.000 2.654 52 G HA2 0.200 4.161 3.960 0.002 0.000 0.215 52 G HA3 0.200 4.161 3.960 0.002 0.000 0.215 52 G C 0.918 175.908 174.900 0.150 0.000 1.310 52 G CA 0.167 45.437 45.100 0.283 0.000 0.866 52 G HN 0.352 nan 8.290 nan 0.000 0.558 53 L N 0.153 121.425 121.223 0.081 0.000 2.812 53 L HA 0.224 4.565 4.340 0.002 0.000 0.172 53 L C 0.241 177.121 176.870 0.016 0.000 1.892 53 L CA -0.634 54.228 54.840 0.036 0.000 2.525 53 L CB 0.086 42.160 42.059 0.024 0.000 2.930 53 L HN 0.415 nan 8.230 nan 0.000 0.625 54 N N 0.601 119.298 118.700 -0.006 0.000 2.316 54 N HA -0.094 4.647 4.740 0.002 0.000 0.296 54 N C -0.675 174.825 175.510 -0.016 0.000 1.291 54 N CA 0.755 53.791 53.050 -0.024 0.000 1.096 54 N CB 0.124 38.587 38.487 -0.041 0.000 1.494 54 N HN 0.609 nan 8.380 nan 0.000 0.486 55 D N -1.156 119.243 120.400 -0.002 0.000 1.294 55 D HA -0.029 4.612 4.640 0.002 0.000 0.844 55 D C -2.460 173.859 176.300 0.032 0.000 0.420 55 D CA -0.176 53.827 54.000 0.006 0.000 1.370 55 D CB -0.628 40.172 40.800 -0.000 0.000 0.992 55 D HN 0.315 nan 8.370 nan 0.000 0.399 56 P HA 0.049 nan 4.420 nan 0.000 0.231 56 P C -0.314 177.026 177.300 0.066 0.000 1.210 56 P CA 1.031 64.161 63.100 0.049 0.000 1.332 56 P CB -0.168 31.567 31.700 0.057 0.000 1.594 57 R N -1.758 118.785 120.500 0.072 0.000 3.224 57 R HA -0.145 4.196 4.340 0.002 0.000 0.473 57 R C 0.925 177.351 176.300 0.209 0.000 0.599 57 R CA 0.443 56.605 56.100 0.104 0.000 1.436 57 R CB -1.718 28.630 30.300 0.080 0.000 2.091 57 R HN 0.321 nan 8.270 nan 0.000 0.386 58 L N 0.072 121.376 121.223 0.135 0.000 2.671 58 L HA 0.418 4.760 4.340 0.002 0.000 0.188 58 L C 1.148 178.006 176.870 -0.020 0.000 1.165 58 L CA 0.464 55.331 54.840 0.046 0.000 0.926 58 L CB 0.156 42.198 42.059 -0.029 0.000 1.664 58 L HN 0.180 nan 8.230 nan 0.000 0.512 59 G N -0.529 108.188 108.800 -0.138 0.000 2.367 59 G HA2 0.463 4.424 3.960 0.002 0.000 0.314 59 G HA3 0.463 4.424 3.960 0.002 0.000 0.314 59 G C -0.520 174.343 174.900 -0.061 0.000 1.130 59 G CA -0.319 44.713 45.100 -0.114 0.000 0.864 59 G HN 0.601 nan 8.290 nan 0.000 0.486 60 S N 0.755 116.433 115.700 -0.035 0.000 2.632 60 S HA 0.478 4.949 4.470 0.002 0.000 0.267 60 S C 0.811 175.392 174.600 -0.032 0.000 1.193 60 S CA -0.517 57.668 58.200 -0.025 0.000 1.003 60 S CB 1.235 64.429 63.200 -0.011 0.000 1.073 60 S HN 0.453 nan 8.310 nan 0.000 0.553 61 I N -1.234 119.321 120.570 -0.025 0.000 4.866 61 I HA 0.167 4.338 4.170 0.002 0.000 0.325 61 I C 0.559 176.664 176.117 -0.020 0.000 1.240 61 I CA 0.101 61.386 61.300 -0.027 0.000 1.355 61 I CB 0.189 38.171 38.000 -0.030 0.000 1.395 61 I HN 0.462 nan 8.210 nan 0.000 0.479 62 D N 2.238 122.628 120.400 -0.017 0.000 2.494 62 D HA 0.047 4.689 4.640 0.002 0.000 0.249 62 D C 0.117 176.411 176.300 -0.010 0.000 1.223 62 D CA 0.055 54.047 54.000 -0.013 0.000 0.865 62 D CB -0.178 40.615 40.800 -0.012 0.000 0.974 62 D HN -0.024 nan 8.370 nan 0.000 0.491 63 R N -0.447 120.047 120.500 -0.010 0.000 3.516 63 R HA -0.224 4.117 4.340 0.002 0.000 0.271 63 R C -0.588 175.710 176.300 -0.003 0.000 1.098 63 R CA 0.331 56.427 56.100 -0.007 0.000 0.732 63 R CB -2.439 27.858 30.300 -0.005 0.000 1.152 63 R HN 0.184 nan 8.270 nan 0.000 0.455 64 N N -0.232 118.466 118.700 -0.004 0.000 2.508 64 N HA 0.313 5.054 4.740 0.002 0.000 0.285 64 N C 1.159 176.672 175.510 0.006 0.000 1.144 64 N CA -0.498 52.553 53.050 0.001 0.000 0.978 64 N CB 0.607 39.094 38.487 -0.000 0.000 1.180 64 N HN 0.081 nan 8.380 nan 0.000 0.484 65 L N 0.368 121.598 121.223 0.011 0.000 2.554 65 L HA 0.135 4.477 4.340 0.002 0.000 0.226 65 L C 0.788 177.676 176.870 0.030 0.000 1.137 65 L CA 0.561 55.412 54.840 0.019 0.000 0.863 65 L CB -0.181 41.889 42.059 0.018 0.000 0.985 65 L HN 0.239 nan 8.230 nan 0.000 0.451 66 K N 0.828 121.244 120.400 0.027 0.000 3.245 66 K HA 0.064 4.385 4.320 0.002 0.000 0.285 66 K C 0.286 176.924 176.600 0.063 0.000 1.156 66 K CA 0.032 56.341 56.287 0.037 0.000 1.162 66 K CB -0.595 31.919 32.500 0.025 0.000 1.365 66 K HN 0.230 nan 8.250 nan 0.000 0.316 67 c N 2.738 121.394 118.600 0.092 0.000 2.980 67 c HA -0.039 4.532 4.570 0.002 0.000 0.486 67 c C 0.170 174.405 174.090 0.241 0.000 1.258 67 c CA -0.415 56.035 56.329 0.202 0.000 1.481 67 c CB -2.616 40.023 42.510 0.215 0.000 1.742 67 c HN 0.718 nan 8.230 nan 0.000 0.617 68 Q N -0.809 119.066 119.800 0.125 0.000 2.890 68 Q HA -0.248 4.093 4.340 0.002 0.000 0.103 68 Q C 0.433 176.439 176.000 0.010 0.000 1.527 68 Q CA 1.251 57.082 55.803 0.047 0.000 0.455 68 Q CB -2.165 26.586 28.738 0.022 0.000 0.640 68 Q HN 0.679 nan 8.270 nan 0.000 0.319 69 T N -0.673 113.888 114.554 0.012 0.000 9.945 69 T HA -0.430 3.921 4.350 0.002 0.000 0.410 69 T C 1.293 175.997 174.700 0.007 0.000 1.507 69 T CA 2.470 64.572 62.100 0.003 0.000 2.480 69 T CB -2.396 66.465 68.868 -0.011 0.000 2.922 69 T HN 1.606 nan 8.240 nan 0.000 1.162 70 C N 1.994 121.303 119.300 0.014 0.000 2.500 70 C HA 0.419 4.881 4.460 0.002 0.000 0.273 70 C C 1.414 176.433 174.990 0.048 0.000 1.428 70 C CA 0.390 59.424 59.018 0.026 0.000 1.766 70 C CB -1.220 26.540 27.740 0.033 0.000 1.817 70 C HN 0.773 nan 8.230 nan 0.000 0.543 71 Q N -0.622 119.205 119.800 0.046 0.000 0.903 71 Q HA -0.237 4.104 4.340 0.002 0.000 0.328 71 Q C 0.736 176.761 176.000 0.041 0.000 1.052 71 Q CA 1.249 57.074 55.803 0.037 0.000 0.518 71 Q CB -1.029 27.725 28.738 0.027 0.000 5.039 71 Q HN 0.463 nan 8.270 nan 0.000 0.421 72 E N -1.929 118.290 120.200 0.031 0.000 4.586 72 E HA -0.288 4.063 4.350 0.002 0.000 0.271 72 E C 0.625 177.239 176.600 0.022 0.000 0.767 72 E CA 2.677 59.094 56.400 0.029 0.000 1.491 72 E CB -1.754 27.967 29.700 0.036 0.000 1.758 72 E HN 1.466 nan 8.360 nan 0.000 0.398 73 G N 0.652 109.465 108.800 0.022 0.000 2.855 73 G HA2 -0.243 3.718 3.960 0.002 0.000 0.352 73 G HA3 -0.243 3.718 3.960 0.002 0.000 0.352 73 G C 0.410 175.312 174.900 0.004 0.000 1.415 73 G CA 0.560 45.666 45.100 0.011 0.000 0.871 73 G HN 0.472 nan 8.290 nan 0.000 0.543 74 M N -0.094 119.502 119.600 -0.007 0.000 3.763 74 M HA 0.483 4.964 4.480 0.002 0.000 0.183 74 M C 0.451 176.744 176.300 -0.011 0.000 1.544 74 M CA 0.688 55.979 55.300 -0.016 0.000 1.722 74 M CB -0.049 32.535 32.600 -0.026 0.000 1.155 74 M HN 0.396 nan 8.290 nan 0.000 0.528 75 N N 1.082 119.780 118.700 -0.004 0.000 2.581 75 N HA 0.092 4.834 4.740 0.002 0.000 0.274 75 N C -0.443 175.071 175.510 0.006 0.000 1.629 75 N CA 0.276 53.325 53.050 -0.001 0.000 0.884 75 N CB 0.686 39.172 38.487 -0.001 0.000 1.423 75 N HN 0.771 nan 8.380 nan 0.000 0.507 76 E N -1.138 119.067 120.200 0.009 0.000 1.368 76 E HA 0.056 4.407 4.350 0.002 0.000 0.220 76 E C -0.824 175.792 176.600 0.026 0.000 1.057 76 E CA -0.083 56.329 56.400 0.020 0.000 1.187 76 E CB -0.512 29.203 29.700 0.026 0.000 4.589 76 E HN 0.149 nan 8.360 nan 0.000 0.729 77 c N 4.066 122.678 118.600 0.021 0.000 2.662 77 c HA 0.206 4.777 4.570 0.002 0.000 0.402 77 c C -1.158 172.925 174.090 -0.011 0.000 1.397 77 c CA -0.693 55.646 56.329 0.017 0.000 1.575 77 c CB 0.262 42.762 42.510 -0.017 0.000 2.406 77 c HN 0.414 nan 8.230 nan 0.000 0.609 78 P HA 0.136 nan 4.420 nan 0.000 0.220 78 P C 0.547 177.821 177.300 -0.044 0.000 1.148 78 P CA 1.627 64.734 63.100 0.013 0.000 0.803 78 P CB -0.069 31.670 31.700 0.064 0.000 0.782 79 G N 0.892 109.612 108.800 -0.132 0.000 2.860 79 G HA2 -0.116 3.845 3.960 0.002 0.000 0.547 79 G HA3 -0.116 3.845 3.960 0.002 0.000 0.547 79 G C -0.373 174.392 174.900 -0.225 0.000 1.103 79 G CA -0.752 44.170 45.100 -0.296 0.000 1.126 79 G HN 0.458 nan 8.290 nan 0.000 0.490 80 H N 1.035 120.117 119.070 0.020 0.000 2.815 80 H HA 0.454 5.012 4.556 0.002 0.000 0.350 80 H C 0.326 175.693 175.328 0.065 0.000 1.080 80 H CA -0.230 55.861 56.048 0.072 0.000 1.433 80 H CB 0.856 30.654 29.762 0.061 0.000 1.432 80 H HN 0.265 nan 8.280 nan 0.000 0.592 81 F N 0.518 120.535 119.950 0.111 0.000 2.378 81 F HA 0.398 4.927 4.527 0.002 0.000 0.319 81 F C 1.146 176.979 175.800 0.056 0.000 1.155 81 F CA 0.565 58.593 58.000 0.046 0.000 1.157 81 F CB 1.241 40.249 39.000 0.013 0.000 1.252 81 F HN 0.711 nan 8.300 nan 0.000 0.550 82 G N 0.066 109.029 108.800 0.271 0.000 2.597 82 G HA2 0.551 4.513 3.960 0.002 0.000 0.317 82 G HA3 0.551 4.513 3.960 0.002 0.000 0.317 82 G C -1.995 173.095 174.900 0.317 0.000 1.230 82 G CA -0.599 44.641 45.100 0.232 0.000 0.996 82 G HN 0.885 nan 8.290 nan 0.000 0.490 83 H N -1.668 117.443 119.070 0.068 0.000 2.895 83 H HA 0.761 5.318 4.556 0.002 0.000 0.373 83 H C -1.653 173.675 175.328 0.000 0.000 1.174 83 H CA -1.177 54.885 56.048 0.023 0.000 1.144 83 H CB 2.477 32.237 29.762 -0.003 0.000 1.793 83 H HN 0.487 nan 8.280 nan 0.000 0.551 84 I N 2.663 123.099 120.570 -0.223 0.000 2.534 84 I HA 0.167 4.338 4.170 0.002 0.000 0.288 84 I C -1.147 174.840 176.117 -0.217 0.000 1.077 84 I CA -0.605 60.519 61.300 -0.292 0.000 1.051 84 I CB 2.022 39.923 38.000 -0.166 0.000 1.234 84 I HN 0.883 nan 8.210 nan 0.000 0.425 85 D N 8.677 128.930 120.400 -0.245 0.000 2.352 85 D HA 0.256 4.897 4.640 0.002 0.000 0.245 85 D C 0.079 176.328 176.300 -0.086 0.000 1.224 85 D CA -0.185 53.739 54.000 -0.126 0.000 0.879 85 D CB 1.393 42.127 40.800 -0.110 0.000 1.057 85 D HN 0.376 nan 8.370 nan 0.000 0.491 86 L N 1.965 123.158 121.223 -0.051 0.000 2.416 86 L HA 0.120 4.461 4.340 0.002 0.000 0.272 86 L C 1.693 178.547 176.870 -0.028 0.000 1.161 86 L CA -0.495 54.322 54.840 -0.037 0.000 0.845 86 L CB 0.961 43.007 42.059 -0.021 0.000 1.119 86 L HN 0.397 nan 8.230 nan 0.000 0.464 87 A N 4.677 127.481 122.820 -0.026 0.000 1.821 87 A HA -0.048 4.274 4.320 0.002 0.000 0.215 87 A C 0.927 178.506 177.584 -0.007 0.000 1.216 87 A CA 1.157 53.186 52.037 -0.014 0.000 0.615 87 A CB -0.089 18.906 19.000 -0.009 0.000 0.862 87 A HN 0.674 nan 8.150 nan 0.000 0.450 88 K N 0.996 121.389 120.400 -0.011 0.000 2.334 88 K HA 0.328 4.649 4.320 0.002 0.000 0.265 88 K C -2.734 173.843 176.600 -0.039 0.000 1.039 88 K CA -2.169 54.106 56.287 -0.019 0.000 0.920 88 K CB 0.969 33.461 32.500 -0.014 0.000 1.160 88 K HN 0.173 nan 8.250 nan 0.000 0.451 89 P HA -0.181 nan 4.420 nan 0.000 0.263 89 P C -0.317 176.897 177.300 -0.143 0.000 1.145 89 P CA 0.297 63.360 63.100 -0.062 0.000 0.755 89 P CB 0.266 31.936 31.700 -0.051 0.000 0.746 90 V N 0.948 120.789 119.914 -0.121 0.000 3.074 90 V HA 0.586 4.708 4.120 0.002 0.000 0.314 90 V C 0.071 176.095 176.094 -0.117 0.000 1.117 90 V CA -1.193 60.995 62.300 -0.187 0.000 1.014 90 V CB 1.211 33.033 31.823 -0.003 0.000 1.057 90 V HN 0.176 nan 8.190 nan 0.000 0.438 91 F N 0.519 120.537 119.950 0.112 0.000 2.532 91 F HA 0.396 4.924 4.527 0.002 0.000 0.323 91 F C 0.654 176.559 175.800 0.176 0.000 1.234 91 F CA 0.372 58.461 58.000 0.149 0.000 1.323 91 F CB 0.044 39.123 39.000 0.132 0.000 1.183 91 F HN 0.818 nan 8.300 nan 0.000 0.589 92 H N 0.485 119.748 119.070 0.321 0.000 2.792 92 H HA 0.343 4.900 4.556 0.002 0.000 0.298 92 H C 0.687 176.073 175.328 0.096 0.000 1.042 92 H CA -0.839 55.338 56.048 0.216 0.000 1.300 92 H CB 0.789 30.733 29.762 0.303 0.000 1.431 92 H HN 0.494 nan 8.280 nan 0.000 0.496 93 V N 2.775 122.761 119.914 0.121 0.000 2.265 93 V HA -0.388 3.734 4.120 0.002 0.000 0.260 93 V C 2.323 178.393 176.094 -0.040 0.000 1.084 93 V CA 2.329 64.652 62.300 0.038 0.000 1.086 93 V CB -1.353 30.443 31.823 -0.046 0.000 0.704 93 V HN 0.846 nan 8.190 nan 0.000 0.457 94 G N -1.471 107.172 108.800 -0.260 0.000 2.559 94 G HA2 -0.037 3.924 3.960 0.002 0.000 0.216 94 G HA3 -0.037 3.924 3.960 0.002 0.000 0.216 94 G C 1.165 175.564 174.900 -0.834 0.000 1.126 94 G CA 0.686 45.264 45.100 -0.871 0.000 0.778 94 G HN 0.611 nan 8.290 nan 0.000 0.543 95 F N -0.270 119.530 119.950 -0.250 0.000 2.704 95 F HA 0.346 4.875 4.527 0.002 0.000 0.304 95 F C 2.095 177.881 175.800 -0.024 0.000 1.094 95 F CA -0.721 57.177 58.000 -0.170 0.000 1.275 95 F CB 0.395 39.264 39.000 -0.218 0.000 1.073 95 F HN -0.048 nan 8.300 nan 0.000 0.586 96 I N 0.954 121.608 120.570 0.140 0.000 2.194 96 I HA -0.345 3.827 4.170 0.002 0.000 0.246 96 I C 2.732 178.901 176.117 0.085 0.000 1.093 96 I CA 1.628 62.997 61.300 0.115 0.000 1.355 96 I CB -1.402 36.630 38.000 0.053 0.000 1.046 96 I HN 0.142 nan 8.210 nan 0.000 0.413 97 A N 0.336 123.183 122.820 0.044 0.000 1.917 97 A HA -0.266 4.055 4.320 0.002 0.000 0.219 97 A C 2.455 180.064 177.584 0.042 0.000 1.182 97 A CA 1.931 53.981 52.037 0.023 0.000 0.633 97 A CB -0.505 18.486 19.000 -0.016 0.000 0.819 97 A HN 0.367 nan 8.150 nan 0.000 0.448 98 K N -0.763 119.681 120.400 0.073 0.000 2.021 98 K HA 0.026 4.347 4.320 0.002 0.000 0.205 98 K C 1.881 178.608 176.600 0.212 0.000 1.047 98 K CA 1.285 57.631 56.287 0.098 0.000 0.943 98 K CB -0.340 32.194 32.500 0.057 0.000 0.725 98 K HN 0.584 nan 8.250 nan 0.000 0.439 99 I N 1.716 122.430 120.570 0.240 0.000 2.315 99 I HA -0.322 3.850 4.170 0.002 0.000 0.251 99 I C 2.538 178.839 176.117 0.308 0.000 1.125 99 I CA 1.205 62.701 61.300 0.326 0.000 1.392 99 I CB -0.402 37.811 38.000 0.355 0.000 1.065 99 I HN 0.104 nan 8.210 nan 0.000 0.424 100 K N 2.023 122.557 120.400 0.222 0.000 2.057 100 K HA -0.169 4.153 4.320 0.002 0.000 0.206 100 K C 2.030 178.789 176.600 0.265 0.000 1.050 100 K CA 1.565 57.967 56.287 0.192 0.000 0.935 100 K CB -0.082 32.498 32.500 0.133 0.000 0.715 100 K HN 0.306 nan 8.250 nan 0.000 0.439 101 K N 0.545 121.126 120.400 0.301 0.000 2.148 101 K HA -0.071 4.250 4.320 0.002 0.000 0.204 101 K C 2.025 178.931 176.600 0.510 0.000 1.050 101 K CA 1.278 57.835 56.287 0.450 0.000 0.942 101 K CB 0.087 32.663 32.500 0.127 0.000 0.724 101 K HN 0.042 nan 8.250 nan 0.000 0.446 102 V N -0.005 120.193 119.914 0.472 0.000 2.407 102 V HA -0.237 3.885 4.120 0.002 0.000 0.245 102 V C 2.395 178.708 176.094 0.365 0.000 1.041 102 V CA 1.185 63.777 62.300 0.487 0.000 1.040 102 V CB -0.841 31.351 31.823 0.614 0.000 0.671 102 V HN 0.328 nan 8.190 nan 0.000 0.455 103 C N 0.896 120.376 119.300 0.299 0.000 2.401 103 C HA -0.178 4.283 4.460 0.002 0.000 0.276 103 C C 2.794 177.823 174.990 0.065 0.000 1.233 103 C CA 1.601 60.684 59.018 0.108 0.000 1.753 103 C CB -1.060 26.726 27.740 0.077 0.000 2.029 103 C HN 0.650 nan 8.230 nan 0.000 0.478 104 E N -1.184 119.083 120.200 0.112 0.000 2.274 104 E HA -0.149 4.202 4.350 0.002 0.000 0.194 104 E C 2.047 178.663 176.600 0.027 0.000 0.996 104 E CA 0.980 57.407 56.400 0.045 0.000 0.840 104 E CB -0.180 29.557 29.700 0.061 0.000 0.772 104 E HN 0.671 nan 8.360 nan 0.000 0.491 105 C N 0.776 120.133 119.300 0.095 0.000 2.500 105 C HA 0.031 4.492 4.460 0.002 0.000 0.279 105 C C 1.370 176.379 174.990 0.031 0.000 1.288 105 C CA -0.051 58.997 59.018 0.050 0.000 1.710 105 C CB -0.030 27.756 27.740 0.077 0.000 2.052 105 C HN 0.068 nan 8.230 nan 0.000 0.488 106 V N 0.161 120.112 119.914 0.061 0.000 2.973 106 V HA 0.392 4.513 4.120 0.002 0.000 0.314 106 V C 0.315 176.402 176.094 -0.012 0.000 1.066 106 V CA -0.736 61.583 62.300 0.032 0.000 1.021 106 V CB 1.180 33.045 31.823 0.071 0.000 1.076 106 V HN 0.598 nan 8.190 nan 0.000 0.462 107 C N 4.611 123.903 119.300 -0.013 0.000 2.328 107 C HA 0.730 5.191 4.460 0.002 0.000 0.378 107 C C 0.298 175.271 174.990 -0.028 0.000 1.249 107 C CA -0.702 58.311 59.018 -0.008 0.000 2.204 107 C CB 0.953 28.708 27.740 0.026 0.000 2.218 107 C HN 0.817 nan 8.230 nan 0.000 0.564 108 M N 0.893 120.497 119.600 0.006 0.000 2.513 108 M HA 0.410 4.891 4.480 0.002 0.000 0.250 108 M C 1.154 177.477 176.300 0.039 0.000 1.145 108 M CA -0.269 54.998 55.300 -0.055 0.000 0.948 108 M CB -0.988 31.537 32.600 -0.125 0.000 1.405 108 M HN 0.943 nan 8.290 nan 0.000 0.546 109 H N -1.783 117.313 119.070 0.044 0.000 4.791 109 H HA -0.241 4.316 4.556 0.002 0.000 0.127 109 H C 1.456 176.803 175.328 0.031 0.000 0.702 109 H CA 2.067 58.141 56.048 0.043 0.000 1.218 109 H CB -1.233 28.557 29.762 0.047 0.000 0.807 109 H HN 0.900 nan 8.280 nan 0.000 0.487 110 C N -0.625 118.742 119.300 0.113 0.000 2.947 110 C HA 0.631 5.092 4.460 0.002 0.000 0.337 110 C C 1.239 176.249 174.990 0.034 0.000 2.005 110 C CA 1.538 60.592 59.018 0.061 0.000 2.072 110 C CB 1.041 28.810 27.740 0.048 0.000 1.873 110 C HN 1.371 nan 8.230 nan 0.000 0.682 111 G N 2.236 111.048 108.800 0.020 0.000 2.826 111 G HA2 0.162 4.124 3.960 0.002 0.000 0.623 111 G HA3 0.162 4.124 3.960 0.002 0.000 0.623 111 G C -0.947 173.952 174.900 -0.002 0.000 1.127 111 G CA 0.312 45.414 45.100 0.004 0.000 1.165 111 G HN 1.005 nan 8.290 nan 0.000 0.504 112 K N 1.535 121.933 120.400 -0.003 0.000 2.597 112 K HA 0.557 4.879 4.320 0.002 0.000 0.282 112 K C 0.520 177.116 176.600 -0.005 0.000 0.975 112 K CA -1.161 55.118 56.287 -0.013 0.000 0.867 112 K CB 1.482 33.971 32.500 -0.018 0.000 1.465 112 K HN 0.389 nan 8.250 nan 0.000 0.417 113 L N 3.005 124.220 121.223 -0.014 0.000 2.517 113 L HA -0.101 4.240 4.340 0.002 0.000 0.294 113 L C 1.242 178.107 176.870 -0.009 0.000 1.264 113 L CA 0.400 55.233 54.840 -0.011 0.000 0.839 113 L CB 0.240 42.285 42.059 -0.024 0.000 1.098 113 L HN 0.614 nan 8.230 nan 0.000 0.525 114 L N 2.631 123.847 121.223 -0.011 0.000 2.554 114 L HA 0.219 4.560 4.340 0.002 0.000 0.225 114 L C -0.078 176.789 176.870 -0.005 0.000 1.104 114 L CA 0.266 55.100 54.840 -0.009 0.000 0.866 114 L CB -0.024 42.024 42.059 -0.019 0.000 1.047 114 L HN 0.411 nan 8.230 nan 0.000 0.468 115 L N -0.077 121.138 121.223 -0.012 0.000 2.541 115 L HA 0.339 4.680 4.340 0.002 0.000 0.266 115 L C -1.119 175.730 176.870 -0.034 0.000 0.966 115 L CA -0.486 54.350 54.840 -0.006 0.000 0.871 115 L CB 2.335 44.390 42.059 -0.006 0.000 1.232 115 L HN -0.139 nan 8.230 nan 0.000 0.408 116 D N 0.702 121.063 120.400 -0.064 0.000 2.447 116 D HA 0.108 4.749 4.640 0.002 0.000 0.265 116 D C 0.768 176.945 176.300 -0.206 0.000 1.250 116 D CA -0.193 53.698 54.000 -0.182 0.000 1.046 116 D CB 0.895 41.493 40.800 -0.337 0.000 1.095 116 D HN 0.432 nan 8.370 nan 0.000 0.555 117 E N -0.550 119.491 120.200 -0.266 0.000 2.516 117 E HA -0.155 4.196 4.350 0.002 0.000 0.206 117 E C 0.786 177.335 176.600 -0.085 0.000 1.107 117 E CA 0.630 56.937 56.400 -0.155 0.000 0.903 117 E CB -0.135 29.487 29.700 -0.130 0.000 0.838 117 E HN 0.332 nan 8.360 nan 0.000 0.574 118 H N -0.773 118.295 119.070 -0.003 0.000 2.535 118 H HA 0.086 4.644 4.556 0.002 0.000 0.273 118 H C 0.846 176.172 175.328 -0.003 0.000 0.983 118 H CA 0.291 56.337 56.048 -0.003 0.000 1.238 118 H CB 0.075 29.834 29.762 -0.005 0.000 1.412 118 H HN 0.103 nan 8.280 nan 0.000 0.562 119 N N 1.151 119.905 118.700 0.091 0.000 2.493 119 N HA -0.047 4.694 4.740 0.002 0.000 0.275 119 N C 0.900 176.430 175.510 0.034 0.000 1.186 119 N CA -0.013 53.067 53.050 0.051 0.000 0.978 119 N CB 1.482 39.985 38.487 0.026 0.000 1.184 119 N HN 0.091 nan 8.380 nan 0.000 0.487 120 E N 1.439 121.655 120.200 0.025 0.000 2.415 120 E HA 0.116 4.467 4.350 0.002 0.000 0.197 120 E C 1.190 177.799 176.600 0.015 0.000 1.007 120 E CA 0.348 56.760 56.400 0.020 0.000 0.890 120 E CB 0.350 30.061 29.700 0.017 0.000 0.891 120 E HN 0.551 nan 8.360 nan 0.000 0.496 121 L N -0.633 120.597 121.223 0.011 0.000 2.556 121 L HA 0.164 4.505 4.340 0.002 0.000 0.226 121 L C 1.846 178.720 176.870 0.008 0.000 1.089 121 L CA 0.044 54.890 54.840 0.009 0.000 0.864 121 L CB 0.106 42.168 42.059 0.005 0.000 1.067 121 L HN 0.022 nan 8.230 nan 0.000 0.477 122 M N -0.297 119.306 119.600 0.005 0.000 2.618 122 M HA 0.046 4.527 4.480 0.002 0.000 0.240 122 M C 1.771 178.072 176.300 0.001 0.000 1.123 122 M CA 1.205 56.505 55.300 0.000 0.000 1.060 122 M CB -0.413 32.183 32.600 -0.007 0.000 1.535 122 M HN -0.010 nan 8.290 nan 0.000 0.507 123 R N -1.381 119.123 120.500 0.007 0.000 2.254 123 R HA 0.134 4.475 4.340 0.002 0.000 0.195 123 R C 1.257 177.565 176.300 0.013 0.000 0.957 123 R CA 0.479 56.584 56.100 0.008 0.000 1.024 123 R CB 0.125 30.433 30.300 0.012 0.000 0.952 123 R HN 0.479 nan 8.270 nan 0.000 0.484 124 Q N -0.498 119.312 119.800 0.016 0.000 2.320 124 Q HA 0.190 4.531 4.340 0.002 0.000 0.201 124 Q C 0.995 177.011 176.000 0.026 0.000 0.910 124 Q CA 0.283 56.098 55.803 0.021 0.000 0.946 124 Q CB 1.101 29.852 28.738 0.021 0.000 1.062 124 Q HN 0.266 nan 8.270 nan 0.000 0.503 125 A N -0.295 122.539 122.820 0.024 0.000 1.988 125 A HA 0.132 4.453 4.320 0.002 0.000 0.198 125 A C 1.662 179.265 177.584 0.032 0.000 1.507 125 A CA -0.095 51.960 52.037 0.031 0.000 0.901 125 A CB -0.201 18.815 19.000 0.026 0.000 1.007 125 A HN 0.238 nan 8.150 nan 0.000 0.502 126 L N 0.105 121.341 121.223 0.021 0.000 2.079 126 L HA -0.180 4.162 4.340 0.002 0.000 0.210 126 L C 2.829 179.716 176.870 0.028 0.000 1.081 126 L CA 1.418 56.271 54.840 0.021 0.000 0.752 126 L CB -0.159 41.903 42.059 0.005 0.000 0.896 126 L HN 0.459 nan 8.230 nan 0.000 0.433 127 A N -0.863 121.971 122.820 0.025 0.000 2.030 127 A HA 0.066 4.388 4.320 0.002 0.000 0.215 127 A C 1.252 178.854 177.584 0.031 0.000 1.164 127 A CA -0.114 51.938 52.037 0.025 0.000 0.697 127 A CB -0.275 18.737 19.000 0.020 0.000 0.827 127 A HN 0.238 nan 8.150 nan 0.000 0.457 128 I N 1.090 121.681 120.570 0.036 0.000 2.775 128 I HA -0.047 4.124 4.170 0.002 0.000 0.290 128 I C 0.358 176.501 176.117 0.043 0.000 1.203 128 I CA 0.229 61.553 61.300 0.039 0.000 1.433 128 I CB 0.504 38.531 38.000 0.044 0.000 1.354 128 I HN 0.197 nan 8.210 nan 0.000 0.579 129 K N 5.831 126.253 120.400 0.038 0.000 2.237 129 K HA 0.137 4.459 4.320 0.002 0.000 0.270 129 K C -0.760 175.864 176.600 0.039 0.000 1.015 129 K CA -0.100 56.208 56.287 0.035 0.000 0.949 129 K CB 0.432 32.949 32.500 0.028 0.000 0.976 129 K HN 0.614 nan 8.250 nan 0.000 0.472 130 D N 1.107 121.529 120.400 0.037 0.000 3.453 130 D HA -0.094 4.547 4.640 0.002 0.000 0.216 130 D C -0.321 176.009 176.300 0.050 0.000 1.223 130 D CA 0.125 54.147 54.000 0.037 0.000 0.689 130 D CB -0.355 40.468 40.800 0.038 0.000 0.449 130 D HN 0.511 nan 8.370 nan 0.000 0.193 131 S N 1.863 117.586 115.700 0.040 0.000 2.571 131 S HA -0.174 4.298 4.470 0.002 0.000 0.245 131 S C 1.633 176.263 174.600 0.051 0.000 0.976 131 S CA 1.023 59.254 58.200 0.052 0.000 0.954 131 S CB 0.440 63.648 63.200 0.014 0.000 0.756 131 S HN 0.426 nan 8.310 nan 0.000 0.535 132 K N 0.950 121.376 120.400 0.043 0.000 2.216 132 K HA 0.153 4.474 4.320 0.002 0.000 0.207 132 K C 1.579 178.235 176.600 0.093 0.000 1.041 132 K CA 0.428 56.733 56.287 0.030 0.000 0.966 132 K CB 0.029 32.530 32.500 0.003 0.000 0.955 132 K HN -0.044 nan 8.250 nan 0.000 0.468 133 K N 0.678 121.131 120.400 0.089 0.000 2.366 133 K HA 0.054 4.376 4.320 0.002 0.000 0.198 133 K C 1.922 178.602 176.600 0.134 0.000 1.044 133 K CA 0.456 56.807 56.287 0.106 0.000 0.973 133 K CB 0.092 32.639 32.500 0.077 0.000 0.767 133 K HN 0.067 nan 8.250 nan 0.000 0.475 134 R N -0.304 120.278 120.500 0.137 0.000 2.083 134 R HA -0.144 4.197 4.340 0.002 0.000 0.237 134 R C 1.868 178.276 176.300 0.180 0.000 1.137 134 R CA 1.611 57.794 56.100 0.138 0.000 0.951 134 R CB -0.290 30.089 30.300 0.132 0.000 0.851 134 R HN 0.181 nan 8.270 nan 0.000 0.434 135 F N 0.618 120.617 119.950 0.081 0.000 2.031 135 F HA -0.168 4.360 4.527 0.002 0.000 0.295 135 F C 2.142 178.022 175.800 0.133 0.000 1.133 135 F CA 1.770 59.834 58.000 0.107 0.000 1.188 135 F CB -0.414 38.627 39.000 0.068 0.000 0.974 135 F HN 0.091 nan 8.300 nan 0.000 0.473 136 A N -0.620 122.422 122.820 0.370 0.000 2.272 136 A HA 0.056 4.377 4.320 0.002 0.000 0.213 136 A C 1.851 179.570 177.584 0.226 0.000 1.183 136 A CA 1.487 53.686 52.037 0.270 0.000 0.719 136 A CB -1.228 17.875 19.000 0.172 0.000 0.771 136 A HN 0.491 nan 8.150 nan 0.000 0.484 137 A N -0.981 121.945 122.820 0.178 0.000 2.026 137 A HA 0.357 4.678 4.320 0.002 0.000 0.201 137 A C 1.805 179.447 177.584 0.096 0.000 1.318 137 A CA 0.491 52.605 52.037 0.129 0.000 0.857 137 A CB -0.116 18.939 19.000 0.092 0.000 0.939 137 A HN 0.345 nan 8.150 nan 0.000 0.476 138 I N -1.724 118.883 120.570 0.061 0.000 2.202 138 I HA -0.241 3.931 4.170 0.002 0.000 0.242 138 I C 2.351 178.470 176.117 0.003 0.000 1.091 138 I CA 1.523 62.819 61.300 -0.007 0.000 1.368 138 I CB -0.230 37.721 38.000 -0.081 0.000 1.058 138 I HN 0.698 nan 8.210 nan 0.000 0.410 139 W N 1.824 123.013 121.300 -0.185 0.000 2.342 139 W HA -0.230 4.432 4.660 0.002 0.000 0.297 139 W C 2.324 178.817 176.519 -0.042 0.000 1.213 139 W CA 1.939 59.206 57.345 -0.131 0.000 1.251 139 W CB -0.383 29.026 29.460 -0.085 0.000 1.136 139 W HN -0.012 nan 8.180 nan 0.000 0.526 140 T N 0.992 115.610 114.554 0.106 0.000 3.098 140 T HA -0.074 4.277 4.350 0.002 0.000 0.266 140 T C 1.306 175.912 174.700 -0.157 0.000 1.145 140 T CA 1.148 63.207 62.100 -0.069 0.000 1.092 140 T CB -0.235 68.694 68.868 0.101 0.000 0.908 140 T HN 0.191 nan 8.240 nan 0.000 0.526 141 L N -0.894 120.250 121.223 -0.132 0.000 3.135 141 L HA 0.336 4.677 4.340 0.002 0.000 0.279 141 L C 0.787 177.578 176.870 -0.131 0.000 1.200 141 L CA -0.157 54.616 54.840 -0.112 0.000 1.016 141 L CB 0.556 42.583 42.059 -0.053 0.000 1.391 141 L HN 0.210 nan 8.230 nan 0.000 0.588 142 C N -0.273 118.911 119.300 -0.194 0.000 3.491 142 C HA 0.079 4.540 4.460 0.002 0.000 0.298 142 C C 2.206 177.066 174.990 -0.216 0.000 1.424 142 C CA -0.325 58.594 59.018 -0.165 0.000 1.772 142 C CB -0.114 27.555 27.740 -0.119 0.000 2.447 142 C HN 0.485 nan 8.230 nan 0.000 0.670 143 K N 0.327 120.530 120.400 -0.330 0.000 2.202 143 K HA 0.042 4.363 4.320 0.002 0.000 0.201 143 K C 1.403 177.877 176.600 -0.210 0.000 1.051 143 K CA 1.296 57.385 56.287 -0.331 0.000 0.977 143 K CB -0.627 31.545 32.500 -0.546 0.000 0.792 143 K HN 0.184 nan 8.250 nan 0.000 0.469 144 T N 1.365 115.808 114.554 -0.185 0.000 3.023 144 T HA 0.033 4.384 4.350 0.002 0.000 0.266 144 T C 0.430 175.076 174.700 -0.091 0.000 1.093 144 T CA 0.567 62.593 62.100 -0.123 0.000 1.129 144 T CB 0.046 68.851 68.868 -0.105 0.000 0.899 144 T HN 0.079 nan 8.240 nan 0.000 0.491 145 K N 2.161 122.506 120.400 -0.092 0.000 2.228 145 K HA 0.283 4.604 4.320 0.002 0.000 0.284 145 K C 0.319 176.883 176.600 -0.060 0.000 1.088 145 K CA 0.124 56.373 56.287 -0.063 0.000 0.941 145 K CB 0.476 32.943 32.500 -0.055 0.000 1.158 145 K HN 0.396 nan 8.250 nan 0.000 0.438 146 M N 1.147 120.718 119.600 -0.048 0.000 2.428 146 M HA -0.008 4.474 4.480 0.002 0.000 0.239 146 M C 0.559 176.847 176.300 -0.019 0.000 1.121 146 M CA 0.008 55.279 55.300 -0.047 0.000 1.019 146 M CB 0.497 33.069 32.600 -0.045 0.000 1.485 146 M HN 0.178 nan 8.290 nan 0.000 0.484 147 V N -4.686 115.225 119.914 -0.006 0.000 2.864 147 V HA 0.317 4.438 4.120 0.002 0.000 0.314 147 V C 0.441 176.545 176.094 0.017 0.000 1.073 147 V CA -1.160 61.150 62.300 0.017 0.000 0.956 147 V CB 1.650 33.484 31.823 0.019 0.000 1.023 147 V HN 0.246 nan 8.190 nan 0.000 0.435 148 C N 1.323 120.643 119.300 0.033 0.000 2.514 148 C HA 0.277 4.738 4.460 0.002 0.000 0.271 148 C C 0.981 175.985 174.990 0.023 0.000 1.399 148 C CA 0.993 60.029 59.018 0.031 0.000 1.765 148 C CB -2.019 25.749 27.740 0.047 0.000 1.893 148 C HN 1.156 nan 8.230 nan 0.000 0.531 149 E N -2.173 118.039 120.200 0.020 0.000 8.699 149 E HA -0.155 4.196 4.350 0.002 0.000 0.471 149 E C 0.635 177.242 176.600 0.012 0.000 1.169 149 E CA 0.487 56.895 56.400 0.014 0.000 2.050 149 E CB -0.740 28.967 29.700 0.012 0.000 1.006 149 E HN 0.352 nan 8.360 nan 0.000 0.262 150 T N 0.419 114.976 114.554 0.005 0.000 2.735 150 T HA 0.004 4.355 4.350 0.002 0.000 0.256 150 T C 0.149 174.848 174.700 -0.001 0.000 1.042 150 T CA 1.247 63.348 62.100 0.001 0.000 1.147 150 T CB -0.030 68.837 68.868 -0.003 0.000 0.865 150 T HN 0.420 nan 8.240 nan 0.000 0.421 151 D N -0.567 119.829 120.400 -0.007 0.000 2.706 151 D HA 0.329 4.970 4.640 0.002 0.000 0.227 151 D C -1.340 174.944 176.300 -0.027 0.000 1.233 151 D CA -0.425 53.566 54.000 -0.016 0.000 0.768 151 D CB 2.393 43.176 40.800 -0.029 0.000 1.490 151 D HN -0.043 nan 8.370 nan 0.000 0.458 152 V N 2.161 122.050 119.914 -0.041 0.000 2.546 152 V HA 0.359 4.480 4.120 0.002 0.000 0.284 152 V C -1.971 174.070 176.094 -0.089 0.000 1.050 152 V CA -1.335 60.938 62.300 -0.045 0.000 0.981 152 V CB 0.940 32.763 31.823 -0.001 0.000 0.990 152 V HN 0.394 nan 8.190 nan 0.000 0.474 153 P HA 0.074 nan 4.420 nan 0.000 0.265 153 P C 0.170 177.427 177.300 -0.071 0.000 1.193 153 P CA 0.451 63.517 63.100 -0.056 0.000 0.765 153 P CB 0.498 32.180 31.700 -0.030 0.000 0.823 162 V N -1.388 118.470 119.914 -0.093 0.000 3.332 162 V HA 0.602 4.724 4.120 0.002 0.000 0.305 162 V C 0.893 176.914 176.094 -0.120 0.000 1.114 162 V CA 0.434 62.665 62.300 -0.115 0.000 1.194 162 V CB 1.158 32.884 31.823 -0.162 0.000 1.027 162 V HN 0.469 nan 8.190 nan 0.000 0.492 163 S N 2.647 118.295 115.700 -0.086 0.000 2.759 163 S HA 0.820 5.292 4.470 0.002 0.000 0.310 163 S C 0.112 174.710 174.600 -0.003 0.000 1.123 163 S CA -0.409 57.764 58.200 -0.044 0.000 0.959 163 S CB 2.401 65.588 63.200 -0.021 0.000 1.172 163 S HN 1.037 nan 8.310 nan 0.000 0.539 164 R N -0.363 120.151 120.500 0.025 0.000 4.548 164 R HA 0.584 4.925 4.340 0.002 0.000 0.077 164 R C 0.589 176.908 176.300 0.031 0.000 0.695 164 R CA -0.095 56.041 56.100 0.060 0.000 1.570 164 R CB -0.412 29.951 30.300 0.106 0.000 1.517 164 R HN 1.438 nan 8.270 nan 0.000 0.411 165 G N 0.076 108.889 108.800 0.022 0.000 2.334 165 G HA2 0.397 4.358 3.960 0.002 0.000 0.566 165 G HA3 0.397 4.358 3.960 0.002 0.000 0.566 165 G C -0.346 174.561 174.900 0.011 0.000 1.413 165 G CA 0.005 45.111 45.100 0.011 0.000 0.993 165 G HN 1.014 nan 8.290 nan 0.000 0.642 166 G N -2.002 106.802 108.800 0.006 0.000 2.497 166 G HA2 0.494 4.455 3.960 0.002 0.000 0.686 166 G HA3 0.494 4.455 3.960 0.002 0.000 0.686 166 G C 0.644 175.551 174.900 0.012 0.000 1.288 166 G CA 0.386 45.492 45.100 0.011 0.000 0.899 166 G HN 2.590 nan 8.290 nan 0.000 0.608 167 C N -0.643 118.667 119.300 0.017 0.000 2.574 167 C HA 0.952 5.413 4.460 0.002 0.000 0.335 167 C C 1.819 176.822 174.990 0.022 0.000 1.493 167 C CA 0.600 59.626 59.018 0.013 0.000 2.217 167 C CB 1.018 28.763 27.740 0.007 0.000 2.056 167 C HN 2.215 nan 8.230 nan 0.000 0.607 168 G N -0.128 108.685 108.800 0.020 0.000 3.342 168 G HA2 0.173 4.134 3.960 0.002 0.000 0.252 168 G HA3 0.173 4.134 3.960 0.002 0.000 0.252 168 G C 0.215 175.145 174.900 0.049 0.000 1.011 168 G CA -0.300 44.818 45.100 0.030 0.000 0.869 168 G HN 0.973 nan 8.290 nan 0.000 0.514 169 N N 1.280 120.013 118.700 0.056 0.000 2.305 169 N HA 0.043 4.784 4.740 0.002 0.000 0.232 169 N C -0.014 175.596 175.510 0.167 0.000 1.274 169 N CA 0.361 53.468 53.050 0.095 0.000 0.870 169 N CB 0.206 38.730 38.487 0.063 0.000 1.105 169 N HN 0.015 nan 8.380 nan 0.000 0.436 170 T N -1.086 113.606 114.554 0.231 0.000 2.932 170 T HA -0.040 4.311 4.350 0.002 0.000 0.312 170 T C 0.140 174.945 174.700 0.175 0.000 1.071 170 T CA -0.468 61.760 62.100 0.214 0.000 1.128 170 T CB 1.094 70.109 68.868 0.245 0.000 0.984 170 T HN 0.572 nan 8.240 nan 0.000 0.549 171 Q N 2.271 122.062 119.800 -0.015 0.000 2.271 171 Q HA 0.315 4.656 4.340 0.002 0.000 0.258 171 Q C -2.545 173.251 176.000 -0.340 0.000 0.936 171 Q CA -2.363 53.351 55.803 -0.148 0.000 0.909 171 Q CB 0.999 29.689 28.738 -0.079 0.000 1.253 171 Q HN 0.393 nan 8.270 nan 0.000 0.440 172 P HA -0.015 nan 4.420 nan 0.000 0.269 172 P C -0.958 176.152 177.300 -0.318 0.000 1.217 172 P CA 0.135 62.846 63.100 -0.648 0.000 0.783 172 P CB 0.443 31.687 31.700 -0.761 0.000 0.898 173 T N 2.244 116.652 114.554 -0.243 0.000 3.364 173 T HA 0.321 4.672 4.350 0.002 0.000 0.323 173 T C 0.603 175.242 174.700 -0.101 0.000 1.323 173 T CA -0.231 61.789 62.100 -0.133 0.000 1.073 173 T CB -0.941 67.873 68.868 -0.089 0.000 1.150 173 T HN 0.202 nan 8.240 nan 0.000 0.727 174 I N 2.736 123.254 120.570 -0.087 0.000 2.588 174 I HA 0.281 4.452 4.170 0.002 0.000 0.283 174 I C 0.842 176.956 176.117 -0.005 0.000 1.119 174 I CA -0.147 61.122 61.300 -0.052 0.000 1.419 174 I CB 0.597 38.576 38.000 -0.034 0.000 1.394 174 I HN 0.301 nan 8.210 nan 0.000 0.562 175 R N 5.002 125.498 120.500 -0.008 0.000 2.892 175 R HA 0.403 4.744 4.340 0.002 0.000 0.265 175 R C -0.748 175.554 176.300 0.003 0.000 1.025 175 R CA -0.949 55.155 56.100 0.006 0.000 0.982 175 R CB 1.850 32.150 30.300 -0.001 0.000 1.185 175 R HN 0.487 nan 8.270 nan 0.000 0.484 176 K N 1.902 122.308 120.400 0.009 0.000 2.234 176 K HA 0.122 4.443 4.320 0.002 0.000 0.277 176 K C -1.476 175.118 176.600 -0.009 0.000 1.038 176 K CA -0.279 56.006 56.287 -0.004 0.000 0.888 176 K CB 0.942 33.448 32.500 0.010 0.000 1.091 176 K HN 0.417 nan 8.250 nan 0.000 0.467 177 D N 3.695 124.078 120.400 -0.027 0.000 2.389 177 D HA 0.293 4.935 4.640 0.002 0.000 0.256 177 D C 0.755 177.039 176.300 -0.026 0.000 1.239 177 D CA 0.595 54.583 54.000 -0.020 0.000 0.925 177 D CB 0.919 41.709 40.800 -0.017 0.000 1.145 177 D HN 0.806 nan 8.370 nan 0.000 0.542 178 G N 3.190 111.986 108.800 -0.006 0.000 3.284 178 G HA2 -0.386 3.576 3.960 0.002 0.000 0.351 178 G HA3 -0.386 3.576 3.960 0.002 0.000 0.351 178 G C 0.925 175.825 174.900 -0.000 0.000 1.232 178 G CA 1.126 46.233 45.100 0.012 0.000 1.001 178 G HN 0.521 nan 8.290 nan 0.000 0.639 179 L N -0.133 121.076 121.223 -0.022 0.000 2.577 179 L HA 0.449 4.791 4.340 0.002 0.000 0.225 179 L C 1.420 178.112 176.870 -0.297 0.000 1.053 179 L CA 0.353 55.154 54.840 -0.066 0.000 0.866 179 L CB 0.173 42.266 42.059 0.056 0.000 1.132 179 L HN 0.200 nan 8.230 nan 0.000 0.486 180 K N 0.212 120.461 120.400 -0.252 0.000 2.419 180 K HA 0.696 5.017 4.320 0.002 0.000 0.246 180 K C -0.969 175.475 176.600 -0.260 0.000 1.037 180 K CA -0.273 55.792 56.287 -0.370 0.000 0.982 180 K CB 1.002 33.427 32.500 -0.125 0.000 1.283 180 K HN -0.163 nan 8.250 nan 0.000 0.500 181 L N 1.015 122.127 121.223 -0.185 0.000 2.446 181 L HA 0.379 4.720 4.340 0.002 0.000 0.268 181 L C -0.792 176.067 176.870 -0.019 0.000 0.975 181 L CA -0.843 53.946 54.840 -0.086 0.000 0.848 181 L CB 1.653 43.669 42.059 -0.072 0.000 1.225 181 L HN 0.296 nan 8.230 nan 0.000 0.410 182 V N 0.954 120.859 119.914 -0.015 0.000 3.665 182 V HA 0.910 5.031 4.120 0.002 0.000 0.279 182 V C 0.628 176.697 176.094 -0.043 0.000 1.000 182 V CA -0.402 61.900 62.300 0.002 0.000 0.935 182 V CB 1.471 33.302 31.823 0.012 0.000 1.240 182 V HN 0.859 nan 8.190 nan 0.000 0.418 183 G N -0.803 107.963 108.800 -0.057 0.000 2.498 183 G HA2 0.437 4.398 3.960 0.002 0.000 0.301 183 G HA3 0.437 4.398 3.960 0.002 0.000 0.301 183 G C -0.994 173.805 174.900 -0.169 0.000 1.577 183 G CA -0.208 44.780 45.100 -0.186 0.000 0.868 183 G HN 0.615 nan 8.290 nan 0.000 0.599 184 S N -0.250 115.342 115.700 -0.180 0.000 2.661 184 S HA 0.861 5.332 4.470 0.002 0.000 0.265 184 S C -0.843 173.677 174.600 -0.132 0.000 1.225 184 S CA -0.356 57.809 58.200 -0.058 0.000 0.986 184 S CB 0.688 63.869 63.200 -0.031 0.000 1.008 184 S HN 0.489 nan 8.310 nan 0.000 0.565 185 W N 0.631 121.940 121.300 0.016 0.000 3.146 185 W HA 0.530 5.192 4.660 0.002 0.000 0.319 185 W C -0.306 176.218 176.519 0.009 0.000 1.258 185 W CA -0.507 56.847 57.345 0.016 0.000 1.189 185 W CB 1.705 31.178 29.460 0.021 0.000 1.412 185 W HN 0.774 nan 8.180 nan 0.000 0.567 200 R N 0.439 121.126 120.500 0.312 0.000 2.756 200 R HA 0.418 4.759 4.340 0.002 0.000 0.264 200 R C -1.352 175.090 176.300 0.237 0.000 1.026 200 R CA -0.095 56.171 56.100 0.277 0.000 1.121 200 R CB 0.542 31.044 30.300 0.336 0.000 0.999 200 R HN 0.310 nan 8.270 nan 0.000 0.449 201 V N 5.953 125.971 119.914 0.173 0.000 2.384 201 V HA 0.235 4.357 4.120 0.002 0.000 0.287 201 V C -0.335 175.850 176.094 0.152 0.000 1.020 201 V CA -0.812 61.569 62.300 0.135 0.000 0.850 201 V CB 1.452 33.336 31.823 0.101 0.000 0.987 201 V HN 0.600 nan 8.190 nan 0.000 0.436 202 L N 4.434 125.746 121.223 0.148 0.000 2.385 202 L HA 0.265 4.606 4.340 0.002 0.000 0.281 202 L C 0.958 177.958 176.870 0.217 0.000 1.106 202 L CA 0.935 55.872 54.840 0.163 0.000 0.856 202 L CB 0.922 43.058 42.059 0.129 0.000 1.186 202 L HN 0.729 nan 8.230 nan 0.000 0.453 203 S N 1.612 117.416 115.700 0.173 0.000 2.584 203 S HA 0.088 4.560 4.470 0.002 0.000 0.270 203 S C 1.432 176.108 174.600 0.127 0.000 1.346 203 S CA -0.094 58.205 58.200 0.165 0.000 1.018 203 S CB 0.809 64.061 63.200 0.086 0.000 0.899 203 S HN 0.770 nan 8.310 nan 0.000 0.542 204 T N 2.533 117.056 114.554 -0.051 0.000 2.777 204 T HA -0.073 4.279 4.350 0.002 0.000 0.266 204 T C 1.645 176.246 174.700 -0.165 0.000 1.040 204 T CA 1.376 63.242 62.100 -0.391 0.000 1.141 204 T CB -0.476 67.880 68.868 -0.852 0.000 0.868 204 T HN 0.779 nan 8.240 nan 0.000 0.444 205 E N 0.734 120.874 120.200 -0.101 0.000 2.153 205 E HA -0.166 4.186 4.350 0.002 0.000 0.194 205 E C 2.331 178.916 176.600 -0.026 0.000 0.988 205 E CA 0.687 57.056 56.400 -0.051 0.000 0.811 205 E CB 0.051 29.733 29.700 -0.029 0.000 0.746 205 E HN 0.434 nan 8.360 nan 0.000 0.466 206 E N 0.277 120.469 120.200 -0.013 0.000 2.021 206 E HA -0.228 4.123 4.350 0.002 0.000 0.200 206 E C 2.161 178.736 176.600 -0.042 0.000 1.015 206 E CA 1.426 57.816 56.400 -0.017 0.000 0.824 206 E CB -0.232 29.472 29.700 0.006 0.000 0.762 206 E HN 0.307 nan 8.360 nan 0.000 0.454 207 I N 1.594 122.146 120.570 -0.031 0.000 2.286 207 I HA -0.252 3.919 4.170 0.002 0.000 0.248 207 I C 2.600 178.701 176.117 -0.026 0.000 1.115 207 I CA 0.583 61.830 61.300 -0.087 0.000 1.392 207 I CB -0.421 37.575 38.000 -0.008 0.000 1.065 207 I HN 0.134 nan 8.210 nan 0.000 0.418 208 L N 0.915 122.162 121.223 0.039 0.000 1.965 208 L HA -0.369 3.972 4.340 0.002 0.000 0.226 208 L C 2.390 179.286 176.870 0.043 0.000 1.083 208 L CA 2.606 57.488 54.840 0.071 0.000 0.790 208 L CB -0.523 41.550 42.059 0.022 0.000 0.898 208 L HN 0.380 nan 8.230 nan 0.000 0.439 209 N N -0.385 118.305 118.700 -0.017 0.000 2.223 209 N HA -0.190 4.551 4.740 0.002 0.000 0.185 209 N C 1.633 177.108 175.510 -0.058 0.000 1.016 209 N CA 1.348 54.359 53.050 -0.064 0.000 0.863 209 N CB -0.025 38.427 38.487 -0.058 0.000 0.983 209 N HN 0.350 nan 8.380 nan 0.000 0.429 210 I N -0.486 120.046 120.570 -0.063 0.000 2.286 210 I HA -0.147 4.024 4.170 0.002 0.000 0.245 210 I C 1.359 177.453 176.117 -0.037 0.000 1.104 210 I CA 0.933 62.178 61.300 -0.092 0.000 1.397 210 I CB -1.341 36.525 38.000 -0.223 0.000 1.072 210 I HN 0.080 nan 8.210 nan 0.000 0.417 211 F N 1.515 121.459 119.950 -0.010 0.000 2.325 211 F HA -0.048 4.480 4.527 0.002 0.000 0.299 211 F C 2.489 178.271 175.800 -0.030 0.000 1.090 211 F CA 0.835 58.823 58.000 -0.020 0.000 1.392 211 F CB -0.709 38.271 39.000 -0.032 0.000 1.053 211 F HN 0.053 nan 8.300 nan 0.000 0.521 212 K N -1.072 119.399 120.400 0.118 0.000 2.211 212 K HA -0.158 4.164 4.320 0.002 0.000 0.203 212 K C 1.784 178.377 176.600 -0.012 0.000 1.050 212 K CA 1.073 57.360 56.287 -0.000 0.000 0.945 212 K CB -0.033 32.409 32.500 -0.096 0.000 0.732 212 K HN 0.193 nan 8.250 nan 0.000 0.451 213 H N -0.134 118.959 119.070 0.038 0.000 2.547 213 H HA 0.104 4.662 4.556 0.002 0.000 0.272 213 H C 0.296 175.598 175.328 -0.044 0.000 0.971 213 H CA -0.079 55.969 56.048 0.000 0.000 1.245 213 H CB 0.211 29.971 29.762 -0.003 0.000 1.440 213 H HN 0.019 nan 8.280 nan 0.000 0.540 214 I N 2.062 122.681 120.570 0.081 0.000 3.163 214 I HA -0.200 3.971 4.170 0.002 0.000 0.332 214 I C 1.275 177.206 176.117 -0.311 0.000 1.205 214 I CA 0.648 61.905 61.300 -0.071 0.000 1.473 214 I CB -0.185 37.818 38.000 0.005 0.000 1.300 214 I HN 0.116 nan 8.210 nan 0.000 0.532 215 S N 4.727 120.247 115.700 -0.299 0.000 2.573 215 S HA 0.115 4.587 4.470 0.002 0.000 0.277 215 S C 1.421 175.671 174.600 -0.583 0.000 1.346 215 S CA -0.736 57.271 58.200 -0.322 0.000 1.034 215 S CB 0.982 64.066 63.200 -0.194 0.000 0.879 215 S HN 0.338 nan 8.310 nan 0.000 0.528 216 V N 5.090 124.773 119.914 -0.386 0.000 2.261 216 V HA -0.120 4.001 4.120 0.002 0.000 0.246 216 V C 2.329 178.283 176.094 -0.235 0.000 1.047 216 V CA 1.802 63.904 62.300 -0.329 0.000 1.015 216 V CB -0.713 31.064 31.823 -0.077 0.000 0.642 216 V HN 0.843 nan 8.190 nan 0.000 0.446 217 K N -0.253 120.064 120.400 -0.137 0.000 2.504 217 K HA -0.117 4.205 4.320 0.002 0.000 0.195 217 K C 1.516 178.073 176.600 -0.072 0.000 1.036 217 K CA 0.783 57.036 56.287 -0.057 0.000 0.984 217 K CB -0.148 32.331 32.500 -0.036 0.000 0.788 217 K HN 0.452 nan 8.250 nan 0.000 0.488 218 D N -0.168 120.114 120.400 -0.198 0.000 2.277 218 D HA -0.063 4.579 4.640 0.002 0.000 0.208 218 D C 1.241 177.501 176.300 -0.067 0.000 0.962 218 D CA 0.745 54.649 54.000 -0.161 0.000 0.865 218 D CB 0.066 40.734 40.800 -0.220 0.000 0.939 218 D HN 0.164 nan 8.370 nan 0.000 0.510 219 F N 1.116 121.050 119.950 -0.028 0.000 2.025 219 F HA -0.156 4.373 4.527 0.002 0.000 0.291 219 F C 2.627 178.502 175.800 0.125 0.000 1.150 219 F CA 0.940 58.930 58.000 -0.017 0.000 1.166 219 F CB -0.873 38.101 39.000 -0.043 0.000 0.995 219 F HN -0.136 nan 8.300 nan 0.000 0.474 220 T N -0.009 114.751 114.554 0.343 0.000 2.751 220 T HA -0.259 4.093 4.350 0.002 0.000 0.268 220 T C 1.863 176.678 174.700 0.191 0.000 1.045 220 T CA 1.681 63.920 62.100 0.231 0.000 1.142 220 T CB -0.721 68.238 68.868 0.151 0.000 0.851 220 T HN 0.313 nan 8.240 nan 0.000 0.474 221 S N 2.205 118.006 115.700 0.169 0.000 2.387 221 S HA -0.003 4.468 4.470 0.002 0.000 0.226 221 S C 1.481 176.194 174.600 0.189 0.000 1.026 221 S CA 0.657 58.938 58.200 0.134 0.000 0.972 221 S CB -0.518 62.728 63.200 0.076 0.000 0.814 221 S HN 0.587 nan 8.310 nan 0.000 0.477 222 L N -0.103 121.296 121.223 0.293 0.000 2.912 222 L HA 0.707 5.048 4.340 0.002 0.000 0.240 222 L C 0.769 178.008 176.870 0.615 0.000 1.262 222 L CA -0.144 54.980 54.840 0.473 0.000 1.058 222 L CB -0.847 41.479 42.059 0.444 0.000 1.383 222 L HN 0.213 nan 8.230 nan 0.000 0.512 223 G N -0.635 108.378 108.800 0.354 0.000 2.462 223 G HA2 -0.262 3.699 3.960 0.002 0.000 0.283 223 G HA3 -0.262 3.699 3.960 0.002 0.000 0.283 223 G C -0.451 174.428 174.900 -0.036 0.000 1.043 223 G CA 0.072 45.254 45.100 0.137 0.000 1.300 223 G HN 0.267 nan 8.290 nan 0.000 0.518 224 F N -0.369 119.607 119.950 0.042 0.000 2.849 224 F HA 0.713 5.241 4.527 0.002 0.000 0.341 224 F C 0.542 176.318 175.800 -0.040 0.000 1.185 224 F CA -1.176 56.795 58.000 -0.049 0.000 1.007 224 F CB 1.992 40.905 39.000 -0.145 0.000 1.454 224 F HN 0.134 nan 8.300 nan 0.000 0.518 225 N N 0.466 119.252 118.700 0.144 0.000 2.732 225 N HA 0.139 4.880 4.740 0.002 0.000 0.235 225 N C 0.067 175.642 175.510 0.109 0.000 1.466 225 N CA 0.047 53.154 53.050 0.095 0.000 0.751 225 N CB 0.492 38.999 38.487 0.033 0.000 1.317 225 N HN 0.689 nan 8.380 nan 0.000 0.525 226 E N -0.440 119.798 120.200 0.063 0.000 3.442 226 E HA -0.395 3.957 4.350 0.002 0.000 0.345 226 E C 0.382 177.004 176.600 0.038 0.000 1.218 226 E CA 2.932 59.367 56.400 0.059 0.000 1.674 226 E CB -0.561 29.230 29.700 0.151 0.000 1.582 226 E HN 0.268 nan 8.360 nan 0.000 0.332 227 V N -0.108 119.934 119.914 0.212 0.000 3.649 227 V HA 0.084 4.205 4.120 0.002 0.000 0.275 227 V C 1.378 177.654 176.094 0.303 0.000 1.281 227 V CA 0.901 63.362 62.300 0.270 0.000 1.143 227 V CB -0.271 31.671 31.823 0.199 0.000 0.892 227 V HN 0.292 nan 8.190 nan 0.000 0.441 228 F N 1.056 121.108 119.950 0.170 0.000 2.419 228 F HA 0.225 4.753 4.527 0.002 0.000 0.283 228 F C 1.196 177.145 175.800 0.249 0.000 1.044 228 F CA 0.716 58.803 58.000 0.146 0.000 1.376 228 F CB 0.562 39.591 39.000 0.048 0.000 1.131 228 F HN 0.238 nan 8.300 nan 0.000 0.585 229 S N -0.085 115.845 115.700 0.384 0.000 2.572 229 S HA 0.775 5.246 4.470 0.002 0.000 0.274 229 S C -0.955 173.665 174.600 0.033 0.000 1.150 229 S CA -0.902 57.482 58.200 0.306 0.000 0.944 229 S CB 2.552 65.851 63.200 0.166 0.000 1.071 229 S HN 0.131 nan 8.310 nan 0.000 0.479 230 R N 1.608 121.916 120.500 -0.320 0.000 2.698 230 R HA 0.494 4.835 4.340 0.002 0.000 0.275 230 R C -2.565 173.311 176.300 -0.706 0.000 1.001 230 R CA -2.216 53.303 56.100 -0.968 0.000 0.896 230 R CB 1.675 31.032 30.300 -1.572 0.000 1.218 230 R HN 0.290 nan 8.270 nan 0.000 0.462 231 P HA -0.255 nan 4.420 nan 0.000 0.217 231 P C 0.815 177.851 177.300 -0.439 0.000 1.148 231 P CA 1.167 63.785 63.100 -0.804 0.000 0.828 231 P CB 0.255 30.990 31.700 -1.607 0.000 0.783 232 E N -1.426 118.554 120.200 -0.367 0.000 2.472 232 E HA -0.171 4.180 4.350 0.002 0.000 0.200 232 E C 0.899 177.549 176.600 0.085 0.000 1.046 232 E CA 0.886 57.229 56.400 -0.095 0.000 0.871 232 E CB -0.638 29.006 29.700 -0.093 0.000 0.806 232 E HN 0.317 nan 8.360 nan 0.000 0.533 233 W N 0.377 121.618 121.300 -0.099 0.000 2.640 233 W HA 0.296 4.957 4.660 0.002 0.000 0.271 233 W C 2.144 178.600 176.519 -0.104 0.000 1.218 233 W CA -0.384 56.920 57.345 -0.069 0.000 1.382 233 W CB -0.838 28.574 29.460 -0.080 0.000 1.067 233 W HN 0.045 nan 8.180 nan 0.000 0.590 234 M N 1.104 120.698 119.600 -0.010 0.000 2.337 234 M HA -0.140 4.342 4.480 0.002 0.000 0.261 234 M C 0.201 176.489 176.300 -0.019 0.000 1.067 234 M CA 1.375 56.515 55.300 -0.268 0.000 1.074 234 M CB -0.344 32.034 32.600 -0.371 0.000 1.395 234 M HN -0.196 nan 8.290 nan 0.000 0.431 235 I N -1.758 118.877 120.570 0.107 0.000 2.676 235 I HA 0.353 4.524 4.170 0.002 0.000 0.309 235 I C -0.836 175.384 176.117 0.172 0.000 0.990 235 I CA -0.871 60.535 61.300 0.176 0.000 1.168 235 I CB 0.914 39.000 38.000 0.143 0.000 1.343 235 I HN -0.126 nan 8.210 nan 0.000 0.482 236 L N 3.940 125.253 121.223 0.150 0.000 2.259 236 L HA 0.379 4.721 4.340 0.002 0.000 0.288 236 L C 0.629 177.543 176.870 0.074 0.000 1.051 236 L CA -0.031 54.891 54.840 0.137 0.000 0.824 236 L CB 0.938 43.085 42.059 0.146 0.000 1.206 236 L HN 0.887 nan 8.230 nan 0.000 0.429 237 T N -0.032 114.573 114.554 0.085 0.000 2.925 237 T HA -0.010 4.341 4.350 0.002 0.000 0.245 237 T C 0.352 175.076 174.700 0.041 0.000 1.025 237 T CA 0.335 62.470 62.100 0.059 0.000 1.149 237 T CB 0.215 69.133 68.868 0.083 0.000 0.866 237 T HN 0.502 nan 8.240 nan 0.000 0.437 238 C N 2.732 122.058 119.300 0.044 0.000 2.455 238 C HA 0.697 5.158 4.460 0.002 0.000 0.321 238 C C -0.582 174.414 174.990 0.010 0.000 1.102 238 C CA -1.492 57.542 59.018 0.027 0.000 1.413 238 C CB -0.879 26.891 27.740 0.050 0.000 1.952 238 C HN 0.513 nan 8.230 nan 0.000 0.428 239 L N 9.169 130.392 121.223 -0.001 0.000 2.367 239 L HA 0.521 4.863 4.340 0.002 0.000 0.275 239 L C -1.987 174.877 176.870 -0.010 0.000 1.129 239 L CA -0.907 53.933 54.840 -0.000 0.000 0.839 239 L CB 0.563 42.611 42.059 -0.019 0.000 1.133 239 L HN 0.447 nan 8.230 nan 0.000 0.453 240 P HA 0.052 nan 4.420 nan 0.000 0.271 240 P C -1.129 176.325 177.300 0.256 0.000 1.216 240 P CA -0.095 63.028 63.100 0.038 0.000 0.771 240 P CB 0.944 32.530 31.700 -0.189 0.000 0.864 241 V N 5.432 125.562 119.914 0.359 0.000 2.257 241 V HA 0.222 4.343 4.120 0.002 0.000 0.269 241 V C -1.929 174.048 176.094 -0.195 0.000 1.040 241 V CA -2.014 60.358 62.300 0.119 0.000 0.813 241 V CB 0.923 32.768 31.823 0.036 0.000 1.065 241 V HN 0.532 nan 8.190 nan 0.000 0.457 242 P HA 0.222 nan 4.420 nan 0.000 0.271 242 P C -2.471 174.533 177.300 -0.493 0.000 1.226 242 P CA -1.265 61.441 63.100 -0.657 0.000 0.765 242 P CB 0.550 32.183 31.700 -0.111 0.000 0.835 243 P HA 0.080 nan 4.420 nan 0.000 0.271 243 P C -1.762 175.405 177.300 -0.222 0.000 1.233 243 P CA -1.372 61.511 63.100 -0.363 0.000 0.789 243 P CB -0.500 30.975 31.700 -0.375 0.000 0.951 244 P HA -0.172 nan 4.420 nan 0.000 0.219 244 P C -1.158 176.082 177.300 -0.100 0.000 1.158 244 P CA 2.731 65.763 63.100 -0.113 0.000 0.895 244 P CB -2.243 29.397 31.700 -0.100 0.000 0.792 245 P HA -0.106 nan 4.420 nan 0.000 0.223 245 P C 1.342 178.603 177.300 -0.066 0.000 1.140 245 P CA 1.012 64.065 63.100 -0.078 0.000 0.783 245 P CB -0.459 31.194 31.700 -0.078 0.000 0.759 246 V N -0.905 118.961 119.914 -0.080 0.000 3.125 246 V HA 0.028 4.150 4.120 0.002 0.000 0.249 246 V C 1.262 177.325 176.094 -0.052 0.000 1.113 246 V CA 0.950 63.215 62.300 -0.058 0.000 1.106 246 V CB -0.668 31.118 31.823 -0.062 0.000 0.768 246 V HN 0.223 nan 8.190 nan 0.000 0.468 247 R N -0.794 119.669 120.500 -0.062 0.000 2.593 247 R HA 0.368 4.709 4.340 0.002 0.000 0.258 247 R C -3.050 173.208 176.300 -0.069 0.000 1.410 247 R CA -1.166 54.898 56.100 -0.061 0.000 1.537 247 R CB 0.032 30.304 30.300 -0.046 0.000 1.362 247 R HN 0.209 nan 8.270 nan 0.000 0.734 248 P HA 0.042 nan 4.420 nan 0.000 0.309 248 P C 0.188 177.448 177.300 -0.067 0.000 1.423 248 P CA 0.431 63.493 63.100 -0.062 0.000 0.814 248 P CB 0.392 32.060 31.700 -0.053 0.000 1.900 249 S N -2.297 113.367 115.700 -0.061 0.000 4.143 249 S HA 0.475 4.947 4.470 0.002 0.000 0.215 249 S C 0.451 175.013 174.600 -0.062 0.000 1.163 249 S CA -0.187 57.974 58.200 -0.065 0.000 1.458 249 S CB -0.544 62.624 63.200 -0.054 0.000 1.636 249 S HN 0.488 nan 8.310 nan 0.000 0.716 250 I N -0.325 120.211 120.570 -0.057 0.000 8.541 250 I HA -0.259 3.912 4.170 0.002 0.000 0.126 250 I C 0.464 176.544 176.117 -0.062 0.000 1.723 250 I CA 1.187 62.457 61.300 -0.049 0.000 2.209 250 I CB -1.985 36.002 38.000 -0.022 0.000 3.608 250 I HN 2.224 nan 8.210 nan 0.000 0.219 251 S N 0.024 115.713 115.700 -0.018 0.000 2.351 251 S HA 0.076 4.547 4.470 0.002 0.000 0.255 251 S C 0.004 174.656 174.600 0.085 0.000 1.513 251 S CA 0.658 58.873 58.200 0.024 0.000 0.948 251 S CB -2.099 61.069 63.200 -0.054 0.000 1.253 251 S HN 2.766 nan 8.310 nan 0.000 0.756 252 F N 0.646 120.586 119.950 -0.016 0.000 2.160 252 F HA 0.082 4.611 4.527 0.002 0.000 0.500 252 F C -0.371 175.423 175.800 -0.009 0.000 1.264 252 F CA 0.536 58.529 58.000 -0.012 0.000 1.610 252 F CB -1.700 37.294 39.000 -0.011 0.000 2.559 252 F HN 0.944 nan 8.300 nan 0.000 0.729 253 N N 0.770 119.395 118.700 -0.125 0.000 2.560 253 N HA 0.441 5.182 4.740 0.002 0.000 0.209 253 N C -0.644 174.841 175.510 -0.041 0.000 1.759 253 N CA 0.243 53.177 53.050 -0.194 0.000 1.404 253 N CB 0.179 38.509 38.487 -0.261 0.000 1.675 253 N HN 0.662 nan 8.380 nan 0.000 0.836 254 E N -0.599 119.570 120.200 -0.051 0.000 7.319 254 E HA -0.054 4.297 4.350 0.002 0.000 0.251 254 E C -0.891 175.700 176.600 -0.014 0.000 0.944 254 E CA 0.671 57.058 56.400 -0.021 0.000 1.530 254 E CB -1.201 28.500 29.700 0.002 0.000 0.918 254 E HN 0.496 nan 8.360 nan 0.000 0.271 255 S N 2.623 118.312 115.700 -0.019 0.000 2.710 255 S HA 0.106 4.577 4.470 0.002 0.000 0.224 255 S C 0.006 174.583 174.600 -0.039 0.000 0.948 255 S CA 0.301 58.486 58.200 -0.025 0.000 0.949 255 S CB -0.176 63.012 63.200 -0.019 0.000 0.778 255 S HN 0.413 nan 8.310 nan 0.000 0.498 256 Q N 1.372 121.139 119.800 -0.056 0.000 2.320 256 Q HA 0.666 5.007 4.340 0.002 0.000 0.272 256 Q C -0.632 175.284 176.000 -0.141 0.000 1.023 256 Q CA -1.127 54.630 55.803 -0.078 0.000 0.855 256 Q CB 1.878 30.581 28.738 -0.058 0.000 1.367 256 Q HN 0.156 nan 8.270 nan 0.000 0.406 257 R N 0.275 120.667 120.500 -0.181 0.000 2.211 257 R HA 0.151 4.492 4.340 0.002 0.000 0.213 257 R C -1.930 174.306 176.300 -0.107 0.000 0.733 257 R CA 0.395 56.425 56.100 -0.115 0.000 0.762 257 R CB -1.034 29.224 30.300 -0.070 0.000 1.504 257 R HN 0.898 nan 8.270 nan 0.000 0.305 258 G N 1.386 110.105 108.800 -0.135 0.000 2.400 258 G HA2 0.622 4.583 3.960 0.002 0.000 0.333 258 G HA3 0.622 4.583 3.960 0.002 0.000 0.333 258 G C -0.785 174.060 174.900 -0.092 0.000 1.143 258 G CA -0.436 44.599 45.100 -0.108 0.000 0.914 258 G HN 0.370 nan 8.290 nan 0.000 0.480 259 E N 0.620 120.762 120.200 -0.098 0.000 2.256 259 E HA 0.198 4.550 4.350 0.002 0.000 0.267 259 E C -1.037 175.382 176.600 -0.301 0.000 0.892 259 E CA -0.731 55.583 56.400 -0.144 0.000 0.775 259 E CB 2.457 32.128 29.700 -0.048 0.000 1.207 259 E HN 0.386 nan 8.360 nan 0.000 0.420 260 D N 1.387 121.648 120.400 -0.232 0.000 2.382 260 D HA 0.017 4.659 4.640 0.002 0.000 0.245 260 D C 0.364 176.474 176.300 -0.317 0.000 1.120 260 D CA 0.082 53.940 54.000 -0.236 0.000 0.890 260 D CB 0.996 41.714 40.800 -0.137 0.000 1.201 260 D HN 0.300 nan 8.370 nan 0.000 0.433 261 D N 1.470 121.685 120.400 -0.309 0.000 2.310 261 D HA -0.071 4.570 4.640 0.002 0.000 0.212 261 D C 1.934 178.145 176.300 -0.149 0.000 0.965 261 D CA 0.365 54.153 54.000 -0.354 0.000 0.879 261 D CB 0.220 40.882 40.800 -0.230 0.000 0.921 261 D HN 0.352 nan 8.370 nan 0.000 0.510 262 L N 0.288 121.469 121.223 -0.070 0.000 2.072 262 L HA -0.136 4.205 4.340 0.002 0.000 0.205 262 L C 2.081 179.001 176.870 0.084 0.000 1.079 262 L CA 1.215 56.084 54.840 0.048 0.000 0.752 262 L CB -0.664 41.432 42.059 0.060 0.000 0.906 262 L HN 0.084 nan 8.230 nan 0.000 0.436 263 T N -0.396 114.174 114.554 0.027 0.000 2.802 263 T HA -0.265 4.086 4.350 0.002 0.000 0.269 263 T C 1.627 176.455 174.700 0.214 0.000 1.062 263 T CA 1.491 63.633 62.100 0.072 0.000 1.133 263 T CB -0.466 68.423 68.868 0.034 0.000 0.852 263 T HN 0.254 nan 8.240 nan 0.000 0.485 264 F N 1.049 120.983 119.950 -0.026 0.000 2.113 264 F HA -0.027 4.502 4.527 0.002 0.000 0.297 264 F C 2.715 178.469 175.800 -0.077 0.000 1.103 264 F CA 0.669 58.642 58.000 -0.044 0.000 1.248 264 F CB -0.031 38.948 39.000 -0.035 0.000 0.999 264 F HN 0.068 nan 8.300 nan 0.000 0.475 265 K N 0.142 120.626 120.400 0.140 0.000 2.062 265 K HA -0.085 4.236 4.320 0.002 0.000 0.205 265 K C 1.576 178.115 176.600 -0.102 0.000 1.051 265 K CA 0.441 56.716 56.287 -0.020 0.000 0.941 265 K CB -0.163 32.377 32.500 0.067 0.000 0.719 265 K HN 0.138 nan 8.250 nan 0.000 0.440 266 L N 0.658 121.835 121.223 -0.076 0.000 2.879 266 L HA -0.143 4.198 4.340 0.002 0.000 0.254 266 L C 1.278 178.100 176.870 -0.081 0.000 1.157 266 L CA 0.953 55.707 54.840 -0.143 0.000 0.886 266 L CB -0.876 41.128 42.059 -0.092 0.000 1.076 266 L HN 0.223 nan 8.230 nan 0.000 0.446 267 A N -1.945 120.833 122.820 -0.069 0.000 1.878 267 A HA 0.037 4.358 4.320 0.002 0.000 0.201 267 A C 1.712 179.239 177.584 -0.094 0.000 1.684 267 A CA -0.079 51.920 52.037 -0.063 0.000 1.113 267 A CB 0.103 19.076 19.000 -0.046 0.000 1.131 267 A HN 0.246 nan 8.150 nan 0.000 0.472 268 D N 0.737 121.033 120.400 -0.174 0.000 2.158 268 D HA -0.167 4.475 4.640 0.002 0.000 0.197 268 D C 1.732 177.967 176.300 -0.109 0.000 0.995 268 D CA 1.427 55.230 54.000 -0.328 0.000 0.846 268 D CB -0.070 40.276 40.800 -0.757 0.000 0.941 268 D HN 0.508 nan 8.370 nan 0.000 0.456 269 I N 0.379 120.903 120.570 -0.077 0.000 2.133 269 I HA -0.226 3.945 4.170 0.002 0.000 0.238 269 I C 2.545 178.676 176.117 0.024 0.000 1.074 269 I CA 0.532 61.863 61.300 0.051 0.000 1.342 269 I CB -0.058 37.891 38.000 -0.084 0.000 1.053 269 I HN -0.068 nan 8.210 nan 0.000 0.404 270 L N 0.598 121.797 121.223 -0.039 0.000 2.191 270 L HA -0.238 4.104 4.340 0.002 0.000 0.212 270 L C 2.478 179.332 176.870 -0.027 0.000 1.103 270 L CA 1.552 56.363 54.840 -0.047 0.000 0.769 270 L CB -0.301 41.720 42.059 -0.063 0.000 0.908 270 L HN 0.132 nan 8.230 nan 0.000 0.438 271 K N -0.498 119.901 120.400 -0.003 0.000 2.007 271 K HA -0.056 4.265 4.320 0.002 0.000 0.206 271 K C 1.505 178.120 176.600 0.025 0.000 1.047 271 K CA 1.113 57.405 56.287 0.008 0.000 0.937 271 K CB -0.115 32.393 32.500 0.014 0.000 0.718 271 K HN 0.335 nan 8.250 nan 0.000 0.438 272 A N 0.785 123.648 122.820 0.070 0.000 2.346 272 A HA 0.001 4.322 4.320 0.002 0.000 0.242 272 A C 0.946 178.549 177.584 0.031 0.000 1.323 272 A CA 0.483 52.557 52.037 0.061 0.000 0.940 272 A CB -0.604 18.453 19.000 0.095 0.000 0.943 272 A HN 0.458 nan 8.150 nan 0.000 0.501 273 N N -0.736 117.969 118.700 0.007 0.000 2.503 273 N HA 0.185 4.926 4.740 0.002 0.000 0.210 273 N C 0.539 176.028 175.510 -0.034 0.000 1.077 273 N CA 0.052 53.091 53.050 -0.018 0.000 0.855 273 N CB 0.270 38.736 38.487 -0.035 0.000 1.323 273 N HN 0.321 nan 8.380 nan 0.000 0.452 274 I N 0.995 121.538 120.570 -0.045 0.000 3.585 274 I HA 0.140 4.311 4.170 0.002 0.000 0.325 274 I C 0.847 176.948 176.117 -0.026 0.000 1.370 274 I CA 0.036 61.304 61.300 -0.052 0.000 1.298 274 I CB 0.062 38.007 38.000 -0.092 0.000 1.387 274 I HN 0.198 nan 8.210 nan 0.000 0.466 275 S N 1.046 116.739 115.700 -0.013 0.000 2.619 275 S HA 0.182 4.653 4.470 0.002 0.000 0.238 275 S C 1.140 175.738 174.600 -0.003 0.000 1.068 275 S CA 0.032 58.230 58.200 -0.004 0.000 0.926 275 S CB 0.312 63.514 63.200 0.004 0.000 0.864 275 S HN 0.378 nan 8.310 nan 0.000 0.493 276 L N 1.941 123.161 121.223 -0.004 0.000 2.741 276 L HA 0.533 4.875 4.340 0.002 0.000 0.237 276 L C 1.613 178.489 176.870 0.010 0.000 1.178 276 L CA 0.464 55.306 54.840 0.002 0.000 0.973 276 L CB 0.199 42.259 42.059 0.001 0.000 1.255 276 L HN 0.301 nan 8.230 nan 0.000 0.498 277 E N -1.357 118.845 120.200 0.004 0.000 2.256 277 E HA 0.094 4.445 4.350 0.002 0.000 0.198 277 E C 0.771 177.392 176.600 0.035 0.000 0.908 277 E CA 0.578 56.989 56.400 0.017 0.000 0.915 277 E CB 0.438 30.124 29.700 -0.023 0.000 0.890 277 E HN 0.276 nan 8.360 nan 0.000 0.484 278 T N 1.416 115.978 114.554 0.014 0.000 3.434 278 T HA 0.197 4.548 4.350 0.002 0.000 0.249 278 T C 1.328 176.035 174.700 0.012 0.000 1.050 278 T CA 0.368 62.477 62.100 0.016 0.000 0.952 278 T CB -0.009 68.862 68.868 0.005 0.000 1.046 278 T HN 0.032 nan 8.240 nan 0.000 0.590 279 L N -1.108 120.123 121.223 0.014 0.000 2.953 279 L HA 0.337 4.678 4.340 0.002 0.000 0.258 279 L C 2.166 179.031 176.870 -0.009 0.000 1.100 279 L CA 0.183 55.023 54.840 -0.000 0.000 0.971 279 L CB 0.468 42.526 42.059 -0.001 0.000 1.474 279 L HN 0.123 nan 8.230 nan 0.000 0.540 280 E N -0.511 119.697 120.200 0.014 0.000 2.216 280 E HA 0.049 4.400 4.350 0.002 0.000 0.192 280 E C 0.780 177.334 176.600 -0.077 0.000 0.973 280 E CA 0.414 56.809 56.400 -0.008 0.000 0.851 280 E CB 0.507 30.233 29.700 0.043 0.000 0.804 280 E HN 0.399 nan 8.360 nan 0.000 0.477 281 H N 0.158 119.216 119.070 -0.021 0.000 2.472 281 H HA 0.316 4.874 4.556 0.002 0.000 0.287 281 H C -0.380 174.937 175.328 -0.019 0.000 1.112 281 H CA -0.094 55.943 56.048 -0.019 0.000 1.021 281 H CB 0.352 30.103 29.762 -0.018 0.000 1.635 281 H HN 0.018 nan 8.280 nan 0.000 0.559 282 N N -1.155 117.562 118.700 0.028 0.000 3.479 282 N HA 0.254 4.996 4.740 0.002 0.000 0.336 282 N C -0.144 175.352 175.510 -0.024 0.000 1.623 282 N CA -0.388 52.667 53.050 0.008 0.000 0.759 282 N CB 0.598 39.094 38.487 0.015 0.000 2.016 282 N HN 0.173 nan 8.380 nan 0.000 0.637 283 G N -0.385 108.403 108.800 -0.021 0.000 2.248 283 G HA2 0.408 4.369 3.960 0.002 0.000 0.260 283 G HA3 0.408 4.369 3.960 0.002 0.000 0.260 283 G C -0.587 174.288 174.900 -0.043 0.000 1.214 283 G CA 0.090 45.170 45.100 -0.033 0.000 0.979 283 G HN 0.532 nan 8.290 nan 0.000 0.454 284 A N 4.976 127.753 122.820 -0.071 0.000 2.341 284 A HA 0.636 4.957 4.320 0.002 0.000 0.326 284 A C -1.575 175.939 177.584 -0.117 0.000 1.402 284 A CA -1.359 50.625 52.037 -0.089 0.000 0.957 284 A CB 0.921 19.852 19.000 -0.116 0.000 1.151 284 A HN 0.536 nan 8.150 nan 0.000 0.533 285 P HA 0.200 nan 4.420 nan 0.000 0.214 285 P C 0.731 178.080 177.300 0.081 0.000 1.807 285 P CA -0.226 62.867 63.100 -0.010 0.000 0.921 285 P CB -0.194 31.516 31.700 0.016 0.000 1.835 286 H N 0.721 119.817 119.070 0.043 0.000 1.470 286 H HA -0.296 4.261 4.556 0.002 0.000 0.090 286 H C 0.513 175.924 175.328 0.139 0.000 0.552 286 H CA 2.360 58.455 56.048 0.077 0.000 1.899 286 H CB -1.308 28.493 29.762 0.065 0.000 2.255 286 H HN 0.441 nan 8.280 nan 0.000 0.961 287 H N 0.656 119.817 119.070 0.152 0.000 2.488 287 H HA 0.589 5.146 4.556 0.002 0.000 0.294 287 H C 0.716 176.072 175.328 0.048 0.000 1.088 287 H CA 0.791 56.883 56.048 0.073 0.000 1.086 287 H CB 0.302 30.089 29.762 0.041 0.000 1.569 287 H HN 0.488 nan 8.280 nan 0.000 0.548 288 A N -0.646 122.211 122.820 0.061 0.000 2.551 288 A HA 0.241 4.562 4.320 0.002 0.000 0.252 288 A C 1.624 179.203 177.584 -0.008 0.000 1.199 288 A CA -0.190 51.852 52.037 0.008 0.000 0.972 288 A CB -0.033 18.983 19.000 0.028 0.000 1.153 288 A HN 0.358 nan 8.150 nan 0.000 0.559 289 I N 0.000 120.572 120.570 0.003 0.000 2.333 289 I HA -0.164 4.007 4.170 0.002 0.000 0.246 289 I C 2.020 178.126 176.117 -0.018 0.000 1.106 289 I CA 1.219 62.519 61.300 -0.000 0.000 1.411 289 I CB -0.027 37.984 38.000 0.018 0.000 1.082 289 I HN 0.355 nan 8.210 nan 0.000 0.420 290 E N 0.553 120.726 120.200 -0.045 0.000 2.409 290 E HA -0.189 4.162 4.350 0.002 0.000 0.198 290 E C 1.827 178.390 176.600 -0.061 0.000 1.024 290 E CA 0.547 56.913 56.400 -0.056 0.000 0.861 290 E CB 0.004 29.640 29.700 -0.108 0.000 0.788 290 E HN 0.465 nan 8.360 nan 0.000 0.521 291 E N 0.530 120.688 120.200 -0.070 0.000 2.031 291 E HA -0.183 4.168 4.350 0.002 0.000 0.193 291 E C 2.022 178.593 176.600 -0.049 0.000 0.994 291 E CA 1.185 57.548 56.400 -0.062 0.000 0.800 291 E CB -0.076 29.591 29.700 -0.055 0.000 0.752 291 E HN 0.280 nan 8.360 nan 0.000 0.447 292 A N 0.986 123.785 122.820 -0.035 0.000 2.072 292 A HA -0.083 4.239 4.320 0.002 0.000 0.216 292 A C 1.691 179.266 177.584 -0.015 0.000 1.156 292 A CA 0.479 52.498 52.037 -0.031 0.000 0.701 292 A CB -0.102 18.886 19.000 -0.020 0.000 0.816 292 A HN 0.114 nan 8.150 nan 0.000 0.458 293 E N 0.504 120.703 120.200 -0.002 0.000 2.409 293 E HA -0.116 4.235 4.350 0.002 0.000 0.198 293 E C 1.914 178.545 176.600 0.052 0.000 1.024 293 E CA 1.161 57.573 56.400 0.021 0.000 0.861 293 E CB -0.054 29.661 29.700 0.024 0.000 0.788 293 E HN 0.782 nan 8.360 nan 0.000 0.521 294 S N -0.266 115.453 115.700 0.033 0.000 2.497 294 S HA 0.036 4.507 4.470 0.002 0.000 0.221 294 S C 1.747 176.374 174.600 0.045 0.000 1.037 294 S CA -0.146 58.088 58.200 0.057 0.000 0.920 294 S CB 0.083 63.294 63.200 0.018 0.000 0.800 294 S HN 0.057 nan 8.310 nan 0.000 0.505 295 L N 0.901 122.105 121.223 -0.032 0.000 2.509 295 L HA 0.424 4.765 4.340 0.002 0.000 0.222 295 L C 1.958 178.733 176.870 -0.157 0.000 1.123 295 L CA 0.439 55.214 54.840 -0.107 0.000 0.856 295 L CB -0.224 41.722 42.059 -0.188 0.000 0.985 295 L HN 0.380 nan 8.230 nan 0.000 0.456 296 L N -0.627 120.572 121.223 -0.040 0.000 2.095 296 L HA -0.134 4.207 4.340 0.002 0.000 0.204 296 L C 2.486 179.391 176.870 0.058 0.000 1.080 296 L CA 1.617 56.459 54.840 0.005 0.000 0.759 296 L CB -0.495 41.574 42.059 0.016 0.000 0.914 296 L HN 0.375 nan 8.230 nan 0.000 0.439 297 Q N -0.469 119.389 119.800 0.096 0.000 2.061 297 Q HA -0.306 4.035 4.340 0.002 0.000 0.204 297 Q C 2.132 178.231 176.000 0.165 0.000 0.984 297 Q CA 2.582 58.478 55.803 0.154 0.000 0.846 297 Q CB -0.978 27.904 28.738 0.240 0.000 0.902 297 Q HN 0.519 nan 8.270 nan 0.000 0.421 298 F N 0.254 120.208 119.950 0.007 0.000 2.269 298 F HA -0.149 4.380 4.527 0.002 0.000 0.301 298 F C 1.625 177.484 175.800 0.098 0.000 1.082 298 F CA 2.032 60.039 58.000 0.012 0.000 1.360 298 F CB -0.140 38.825 39.000 -0.059 0.000 1.041 298 F HN 0.285 nan 8.300 nan 0.000 0.512 299 H N -1.739 117.341 119.070 0.017 0.000 2.384 299 H HA -0.029 4.528 4.556 0.002 0.000 0.300 299 H C 2.190 177.486 175.328 -0.052 0.000 1.057 299 H CA 1.073 57.083 56.048 -0.064 0.000 1.370 299 H CB 0.034 29.813 29.762 0.028 0.000 1.417 299 H HN 0.123 nan 8.280 nan 0.000 0.527 300 V N 0.925 120.907 119.914 0.113 0.000 2.913 300 V HA -0.176 3.945 4.120 0.002 0.000 0.260 300 V C 2.393 178.526 176.094 0.065 0.000 1.098 300 V CA 1.269 63.620 62.300 0.085 0.000 1.121 300 V CB -0.608 31.246 31.823 0.053 0.000 0.714 300 V HN 0.479 nan 8.190 nan 0.000 0.487 301 A N -0.108 122.710 122.820 -0.003 0.000 1.855 301 A HA -0.132 4.189 4.320 0.002 0.000 0.213 301 A C 2.418 179.935 177.584 -0.113 0.000 1.195 301 A CA 2.143 54.142 52.037 -0.063 0.000 0.610 301 A CB -0.886 18.068 19.000 -0.077 0.000 0.837 301 A HN 0.414 nan 8.150 nan 0.000 0.444 302 T N -1.271 113.153 114.554 -0.217 0.000 2.737 302 T HA -0.157 4.194 4.350 0.002 0.000 0.265 302 T C 1.767 176.436 174.700 -0.052 0.000 1.038 302 T CA 1.646 63.623 62.100 -0.204 0.000 1.144 302 T CB -0.487 68.169 68.868 -0.353 0.000 0.866 302 T HN 0.582 nan 8.240 nan 0.000 0.434 303 Y N 0.602 120.836 120.300 -0.109 0.000 2.365 303 Y HA -0.161 4.390 4.550 0.002 0.000 0.287 303 Y C 2.044 177.918 175.900 -0.042 0.000 1.162 303 Y CA 1.272 59.334 58.100 -0.062 0.000 1.260 303 Y CB -0.236 38.196 38.460 -0.046 0.000 0.976 303 Y HN 0.170 nan 8.280 nan 0.000 0.548 304 M N -0.595 118.897 119.600 -0.179 0.000 2.567 304 M HA 0.167 4.648 4.480 0.002 0.000 0.261 304 M C -0.908 175.333 176.300 -0.098 0.000 1.180 304 M CA 0.562 55.727 55.300 -0.225 0.000 1.143 304 M CB 0.691 33.202 32.600 -0.149 0.000 1.319 304 M HN 0.240 nan 8.290 nan 0.000 0.490 305 D N -0.188 120.167 120.400 -0.075 0.000 2.722 305 D HA 0.232 4.874 4.640 0.002 0.000 0.231 305 D C -1.931 174.338 176.300 -0.052 0.000 1.218 305 D CA -0.419 53.560 54.000 -0.035 0.000 0.753 305 D CB 0.854 41.667 40.800 0.023 0.000 1.471 305 D HN 0.400 nan 8.370 nan 0.000 0.455 306 N N 1.569 120.247 118.700 -0.038 0.000 2.812 306 N HA 0.400 5.142 4.740 0.002 0.000 0.262 306 N C -1.525 173.978 175.510 -0.011 0.000 1.241 306 N CA -0.605 52.427 53.050 -0.030 0.000 0.854 306 N CB 1.648 40.108 38.487 -0.046 0.000 1.506 306 N HN 0.146 nan 8.380 nan 0.000 0.576 307 D N 2.051 122.450 120.400 -0.001 0.000 2.742 307 D HA 0.110 4.751 4.640 0.002 0.000 0.302 307 D C -0.612 175.695 176.300 0.011 0.000 1.588 307 D CA -0.048 53.954 54.000 0.003 0.000 0.873 307 D CB 0.752 41.547 40.800 -0.009 0.000 1.418 307 D HN 0.521 nan 8.370 nan 0.000 0.420 308 I N 1.263 121.844 120.570 0.019 0.000 2.474 308 I HA 0.441 4.613 4.170 0.002 0.000 0.287 308 I C 1.059 177.200 176.117 0.039 0.000 1.048 308 I CA -1.030 60.286 61.300 0.026 0.000 1.383 308 I CB 0.518 38.536 38.000 0.029 0.000 1.412 308 I HN -0.106 nan 8.210 nan 0.000 0.531 309 A N 4.201 127.041 122.820 0.032 0.000 2.565 309 A HA 0.487 4.809 4.320 0.002 0.000 0.237 309 A C 1.154 178.767 177.584 0.048 0.000 1.053 309 A CA 0.831 52.889 52.037 0.034 0.000 0.755 309 A CB -0.828 18.187 19.000 0.025 0.000 0.980 309 A HN 1.531 nan 8.150 nan 0.000 0.506 310 G N 1.227 110.057 108.800 0.049 0.000 1.674 310 G HA2 0.011 3.973 3.960 0.002 0.000 0.192 310 G HA3 0.011 3.973 3.960 0.002 0.000 0.192 310 G C -0.287 174.656 174.900 0.071 0.000 1.551 310 G CA 0.096 45.231 45.100 0.058 0.000 1.320 310 G HN 0.989 nan 8.290 nan 0.000 0.432 311 Q N 1.029 120.900 119.800 0.119 0.000 2.305 311 Q HA 0.517 4.858 4.340 0.002 0.000 0.271 311 Q C -1.769 174.345 176.000 0.190 0.000 1.046 311 Q CA -1.597 54.291 55.803 0.142 0.000 0.798 311 Q CB 3.264 32.085 28.738 0.138 0.000 1.286 311 Q HN 0.398 nan 8.270 nan 0.000 0.435 312 P HA 0.094 nan 4.420 nan 0.000 0.200 312 P C -0.310 177.076 177.300 0.145 0.000 1.204 312 P CA 0.581 63.748 63.100 0.112 0.000 0.886 312 P CB 0.587 32.328 31.700 0.068 0.000 0.718 313 Q N -3.832 116.044 119.800 0.126 0.000 2.910 313 Q HA 0.518 4.859 4.340 0.002 0.000 0.329 313 Q C -1.469 174.592 176.000 0.102 0.000 0.763 313 Q CA 0.065 55.954 55.803 0.143 0.000 0.998 313 Q CB -0.272 28.544 28.738 0.131 0.000 1.329 313 Q HN 0.203 nan 8.270 nan 0.000 0.483 314 A N -0.558 122.322 122.820 0.099 0.000 1.729 314 A HA 0.533 4.855 4.320 0.002 0.000 0.168 314 A C -0.762 176.878 177.584 0.093 0.000 1.446 314 A CA -0.168 51.918 52.037 0.082 0.000 2.617 314 A CB -0.573 18.470 19.000 0.071 0.000 2.901 314 A HN 0.315 nan 8.150 nan 0.000 1.227 315 L N -0.295 120.978 121.223 0.082 0.000 2.484 315 L HA 0.228 4.569 4.340 0.002 0.000 0.158 315 L C 1.409 178.378 176.870 0.165 0.000 1.161 315 L CA 1.665 56.559 54.840 0.090 0.000 2.088 315 L CB -0.777 41.293 42.059 0.019 0.000 2.337 315 L HN 0.810 nan 8.230 nan 0.000 0.594 316 Q N -1.673 118.103 119.800 -0.039 0.000 2.135 316 Q HA 0.110 4.451 4.340 0.002 0.000 0.231 316 Q C 0.439 176.246 176.000 -0.321 0.000 0.817 316 Q CA 0.174 55.838 55.803 -0.232 0.000 1.073 316 Q CB 0.384 28.934 28.738 -0.313 0.000 1.176 316 Q HN 0.292 nan 8.270 nan 0.000 0.478 317 K N -1.755 118.606 120.400 -0.065 0.000 2.590 317 K HA 0.260 4.581 4.320 0.002 0.000 0.218 317 K C 0.035 176.770 176.600 0.224 0.000 1.536 317 K CA 0.813 57.168 56.287 0.112 0.000 1.013 317 K CB 0.726 33.437 32.500 0.353 0.000 1.265 317 K HN 0.235 nan 8.250 nan 0.000 0.603 318 S N -2.128 113.749 115.700 0.295 0.000 2.788 318 S HA 0.715 5.186 4.470 0.002 0.000 0.291 318 S C 1.213 175.885 174.600 0.119 0.000 1.061 318 S CA -0.318 57.984 58.200 0.169 0.000 0.923 318 S CB 0.660 63.937 63.200 0.128 0.000 1.339 318 S HN 0.045 nan 8.310 nan 0.000 0.591 319 G N 0.507 109.358 108.800 0.085 0.000 2.832 319 G HA2 0.503 4.464 3.960 0.002 0.000 0.187 319 G HA3 0.503 4.464 3.960 0.002 0.000 0.187 319 G C -0.040 174.899 174.900 0.067 0.000 1.817 319 G CA -0.106 45.033 45.100 0.064 0.000 0.896 319 G HN 0.740 nan 8.290 nan 0.000 0.453 320 R N -0.786 119.746 120.500 0.053 0.000 3.315 320 R HA 0.473 4.814 4.340 0.002 0.000 0.239 320 R C -2.259 174.065 176.300 0.040 0.000 1.532 320 R CA -0.866 55.264 56.100 0.051 0.000 1.033 320 R CB -0.225 30.100 30.300 0.041 0.000 1.586 320 R HN 0.235 nan 8.270 nan 0.000 0.512 321 P HA 0.189 nan 4.420 nan 0.000 0.262 321 P C -0.744 176.576 177.300 0.034 0.000 1.651 321 P CA -0.393 62.728 63.100 0.035 0.000 1.119 321 P CB 0.087 31.802 31.700 0.024 0.000 1.552 322 V N -2.565 117.371 119.914 0.036 0.000 3.708 322 V HA -0.229 3.892 4.120 0.002 0.000 0.529 322 V C 0.331 176.426 176.094 0.003 0.000 0.682 322 V CA 1.009 63.327 62.300 0.029 0.000 2.088 322 V CB -1.158 30.689 31.823 0.040 0.000 2.494 322 V HN 0.407 nan 8.190 nan 0.000 0.516 323 K N 0.970 121.365 120.400 -0.008 0.000 2.830 323 K HA 0.625 4.947 4.320 0.002 0.000 0.250 323 K C 0.773 177.345 176.600 -0.047 0.000 1.395 323 K CA 1.100 57.369 56.287 -0.029 0.000 0.886 323 K CB -0.669 31.809 32.500 -0.037 0.000 1.889 323 K HN 3.012 nan 8.250 nan 0.000 0.368 324 S N 0.697 116.360 115.700 -0.061 0.000 2.913 324 S HA -0.087 4.385 4.470 0.002 0.000 0.856 324 S C 0.958 175.474 174.600 -0.140 0.000 0.913 324 S CA 0.294 58.426 58.200 -0.114 0.000 1.428 324 S CB -2.003 61.139 63.200 -0.097 0.000 1.022 324 S HN 0.417 nan 8.310 nan 0.000 0.260 325 I N 2.049 122.485 120.570 -0.223 0.000 2.210 325 I HA -0.373 3.798 4.170 0.002 0.000 0.249 325 I C 2.870 178.911 176.117 -0.127 0.000 1.047 325 I CA 2.303 63.490 61.300 -0.187 0.000 1.323 325 I CB -0.755 37.085 38.000 -0.267 0.000 1.017 325 I HN 0.799 nan 8.210 nan 0.000 0.427 326 R N 1.533 121.965 120.500 -0.114 0.000 2.088 326 R HA -0.189 4.152 4.340 0.002 0.000 0.232 326 R C 2.319 178.557 176.300 -0.103 0.000 1.136 326 R CA 2.188 58.227 56.100 -0.101 0.000 0.926 326 R CB -0.516 29.751 30.300 -0.055 0.000 0.837 326 R HN 0.417 nan 8.270 nan 0.000 0.429 327 A N 1.047 123.817 122.820 -0.084 0.000 2.125 327 A HA -0.088 4.233 4.320 0.002 0.000 0.219 327 A C 2.112 179.653 177.584 -0.072 0.000 1.156 327 A CA 0.867 52.859 52.037 -0.074 0.000 0.671 327 A CB -0.440 18.525 19.000 -0.059 0.000 0.794 327 A HN 0.336 nan 8.150 nan 0.000 0.459 328 R N -0.854 119.601 120.500 -0.076 0.000 2.328 328 R HA 0.054 4.395 4.340 0.002 0.000 0.207 328 R C 0.894 177.154 176.300 -0.066 0.000 1.056 328 R CA 0.859 56.919 56.100 -0.067 0.000 1.016 328 R CB -0.153 30.107 30.300 -0.067 0.000 0.872 328 R HN 0.566 nan 8.270 nan 0.000 0.471 329 L N -0.984 120.190 121.223 -0.082 0.000 2.803 329 L HA 0.169 4.511 4.340 0.002 0.000 0.246 329 L C 0.792 177.606 176.870 -0.093 0.000 1.100 329 L CA -0.261 54.527 54.840 -0.088 0.000 0.919 329 L CB 0.062 42.052 42.059 -0.115 0.000 1.285 329 L HN -0.063 nan 8.230 nan 0.000 0.522 330 K N 2.345 122.687 120.400 -0.098 0.000 2.527 330 K HA 0.048 4.370 4.320 0.002 0.000 0.278 330 K C 0.423 176.972 176.600 -0.085 0.000 0.981 330 K CA 0.350 56.577 56.287 -0.100 0.000 1.009 330 K CB 0.716 33.161 32.500 -0.092 0.000 0.895 330 K HN 0.101 nan 8.250 nan 0.000 0.493 331 G N 3.146 111.890 108.800 -0.094 0.000 2.163 331 G HA2 -0.105 3.856 3.960 0.002 0.000 0.239 331 G HA3 -0.105 3.856 3.960 0.002 0.000 0.239 331 G C -0.445 174.416 174.900 -0.065 0.000 1.148 331 G CA 0.290 45.340 45.100 -0.083 0.000 0.880 331 G HN 0.804 nan 8.290 nan 0.000 0.466 332 K N 1.401 121.773 120.400 -0.047 0.000 6.650 332 K HA -0.198 4.123 4.320 0.002 0.000 0.632 332 K C 1.058 177.637 176.600 -0.035 0.000 2.550 332 K CA 1.139 57.405 56.287 -0.035 0.000 1.969 332 K CB -0.408 32.069 32.500 -0.039 0.000 2.515 332 K HN 0.927 nan 8.250 nan 0.000 0.176 333 E N -1.974 118.210 120.200 -0.026 0.000 4.074 333 E HA -0.265 4.086 4.350 0.002 0.000 0.282 333 E C 0.760 177.343 176.600 -0.029 0.000 0.675 333 E CA 2.240 58.625 56.400 -0.025 0.000 1.151 333 E CB -1.673 28.011 29.700 -0.027 0.000 1.639 333 E HN 0.822 nan 8.360 nan 0.000 0.409 334 G N 0.278 109.056 108.800 -0.036 0.000 2.507 334 G HA2 0.277 4.238 3.960 0.002 0.000 0.271 334 G HA3 0.277 4.238 3.960 0.002 0.000 0.271 334 G C 0.801 175.680 174.900 -0.034 0.000 1.189 334 G CA 0.275 45.351 45.100 -0.041 0.000 0.859 334 G HN 0.034 nan 8.290 nan 0.000 0.542 335 R N 0.452 120.931 120.500 -0.034 0.000 2.248 335 R HA -0.248 4.093 4.340 0.002 0.000 0.236 335 R C 2.484 178.773 176.300 -0.019 0.000 1.111 335 R CA 2.045 58.130 56.100 -0.025 0.000 0.894 335 R CB -0.851 29.433 30.300 -0.027 0.000 0.905 335 R HN 0.642 nan 8.270 nan 0.000 0.426 336 I N -0.474 120.081 120.570 -0.025 0.000 2.076 336 I HA -0.284 3.888 4.170 0.002 0.000 0.237 336 I C 2.591 178.704 176.117 -0.007 0.000 1.059 336 I CA 1.587 62.878 61.300 -0.015 0.000 1.317 336 I CB -0.496 37.489 38.000 -0.025 0.000 1.037 336 I HN 0.284 nan 8.210 nan 0.000 0.398 337 R N 0.655 121.147 120.500 -0.013 0.000 2.236 337 R HA -0.042 4.299 4.340 0.002 0.000 0.208 337 R C 1.706 178.005 176.300 -0.001 0.000 1.036 337 R CA 1.167 57.266 56.100 -0.002 0.000 1.001 337 R CB 0.034 30.328 30.300 -0.011 0.000 0.896 337 R HN 0.447 nan 8.270 nan 0.000 0.464 338 G N -1.346 107.449 108.800 -0.008 0.000 3.228 338 G HA2 0.024 3.985 3.960 0.002 0.000 0.245 338 G HA3 0.024 3.985 3.960 0.002 0.000 0.245 338 G C 0.623 175.521 174.900 -0.003 0.000 1.051 338 G CA -0.229 44.867 45.100 -0.005 0.000 0.809 338 G HN 0.169 nan 8.290 nan 0.000 0.531 339 N N -0.490 118.209 118.700 -0.002 0.000 2.067 339 N HA 0.224 4.965 4.740 0.002 0.000 0.227 339 N C 1.163 176.676 175.510 0.005 0.000 1.348 339 N CA 0.065 53.116 53.050 0.001 0.000 0.879 339 N CB 1.072 39.557 38.487 -0.003 0.000 1.109 339 N HN 0.212 nan 8.380 nan 0.000 0.501 340 L N -0.272 120.955 121.223 0.007 0.000 2.663 340 L HA 0.311 4.652 4.340 0.002 0.000 0.218 340 L C 1.704 178.580 176.870 0.011 0.000 1.043 340 L CA 0.191 55.037 54.840 0.010 0.000 0.876 340 L CB 0.053 42.120 42.059 0.013 0.000 1.263 340 L HN -0.062 nan 8.230 nan 0.000 0.486 341 M N -0.094 119.512 119.600 0.011 0.000 2.558 341 M HA 0.250 4.731 4.480 0.002 0.000 0.255 341 M C 0.528 176.833 176.300 0.008 0.000 1.113 341 M CA 0.514 55.821 55.300 0.012 0.000 1.097 341 M CB -0.277 32.334 32.600 0.019 0.000 1.426 341 M HN 0.224 nan 8.290 nan 0.000 0.488 342 G N 1.215 110.020 108.800 0.008 0.000 2.267 342 G HA2 0.406 4.367 3.960 0.002 0.000 0.285 342 G HA3 0.406 4.367 3.960 0.002 0.000 0.285 342 G C -1.162 173.746 174.900 0.012 0.000 1.323 342 G CA -0.696 44.410 45.100 0.009 0.000 1.306 342 G HN 0.085 nan 8.290 nan 0.000 0.617 343 K N 1.262 121.673 120.400 0.017 0.000 2.164 343 K HA 0.523 4.844 4.320 0.002 0.000 0.258 343 K C 0.504 177.123 176.600 0.032 0.000 0.951 343 K CA -0.863 55.437 56.287 0.021 0.000 0.844 343 K CB 2.114 34.628 32.500 0.023 0.000 1.099 343 K HN 0.433 nan 8.250 nan 0.000 0.435 344 R N 1.210 121.725 120.500 0.026 0.000 2.640 344 R HA 0.111 4.453 4.340 0.002 0.000 0.270 344 R C -0.436 175.888 176.300 0.040 0.000 1.024 344 R CA 0.148 56.265 56.100 0.030 0.000 1.085 344 R CB 0.271 30.579 30.300 0.013 0.000 0.963 344 R HN 0.502 nan 8.270 nan 0.000 0.426 345 V N -0.723 119.225 119.914 0.057 0.000 3.147 345 V HA 0.484 4.605 4.120 0.002 0.000 0.306 345 V C -0.747 175.380 176.094 0.056 0.000 1.209 345 V CA -1.186 61.158 62.300 0.073 0.000 1.023 345 V CB 2.287 34.187 31.823 0.127 0.000 1.059 345 V HN 0.651 nan 8.190 nan 0.000 0.435 346 D N 0.735 121.164 120.400 0.047 0.000 2.440 346 D HA 0.421 5.062 4.640 0.002 0.000 0.269 346 D C 0.137 176.482 176.300 0.074 0.000 1.249 346 D CA 0.140 54.099 54.000 -0.068 0.000 1.055 346 D CB 0.129 40.770 40.800 -0.265 0.000 1.104 346 D HN 0.745 nan 8.370 nan 0.000 0.561 347 F N -0.366 119.596 119.950 0.020 0.000 2.738 347 F HA -0.257 4.271 4.527 0.002 0.000 0.232 347 F C 0.515 176.332 175.800 0.029 0.000 1.025 347 F CA 0.214 58.232 58.000 0.031 0.000 0.895 347 F CB -1.707 37.314 39.000 0.034 0.000 0.839 347 F HN 0.187 nan 8.300 nan 0.000 0.850 348 S N -0.927 114.819 115.700 0.077 0.000 2.625 348 S HA 1.011 5.482 4.470 0.002 0.000 0.271 348 S C -0.563 174.026 174.600 -0.019 0.000 1.161 348 S CA -0.396 57.779 58.200 -0.041 0.000 0.820 348 S CB 2.482 65.557 63.200 -0.208 0.000 1.137 348 S HN 1.318 nan 8.310 nan 0.000 0.470 349 A N 0.420 123.226 122.820 -0.023 0.000 2.557 349 A HA 0.969 5.290 4.320 0.002 0.000 0.292 349 A C -1.054 176.612 177.584 0.138 0.000 1.139 349 A CA -0.896 51.195 52.037 0.089 0.000 0.665 349 A CB 1.510 20.624 19.000 0.189 0.000 1.285 349 A HN 1.268 nan 8.150 nan 0.000 0.433 350 R N -0.212 120.443 120.500 0.258 0.000 2.764 350 R HA 0.547 4.888 4.340 0.002 0.000 0.250 350 R C -1.643 174.850 176.300 0.322 0.000 1.122 350 R CA 0.091 56.368 56.100 0.294 0.000 1.022 350 R CB 1.321 31.676 30.300 0.092 0.000 1.266 350 R HN 0.943 nan 8.270 nan 0.000 0.454 351 T N 1.311 116.158 114.554 0.487 0.000 2.654 351 T HA 0.387 4.738 4.350 0.002 0.000 0.289 351 T C -0.624 174.235 174.700 0.266 0.000 1.062 351 T CA -0.508 61.753 62.100 0.269 0.000 1.041 351 T CB 1.285 70.216 68.868 0.105 0.000 1.417 351 T HN 0.262 nan 8.240 nan 0.000 0.510 352 V N 1.610 121.627 119.914 0.171 0.000 3.185 352 V HA 0.466 4.588 4.120 0.002 0.000 0.305 352 V C -0.134 176.091 176.094 0.219 0.000 1.090 352 V CA -0.209 62.183 62.300 0.152 0.000 1.107 352 V CB 0.467 32.347 31.823 0.095 0.000 1.061 352 V HN 0.717 nan 8.190 nan 0.000 0.480 353 I N 0.414 121.107 120.570 0.204 0.000 2.608 353 I HA 0.855 5.027 4.170 0.002 0.000 0.295 353 I C -0.255 175.994 176.117 0.219 0.000 1.049 353 I CA -0.371 61.079 61.300 0.251 0.000 1.063 353 I CB 2.284 40.457 38.000 0.288 0.000 1.248 353 I HN 0.567 nan 8.210 nan 0.000 0.424 354 S N 2.553 118.231 115.700 -0.036 0.000 2.541 354 S HA 0.858 5.330 4.470 0.002 0.000 0.280 354 S C -0.243 173.773 174.600 -0.973 0.000 1.112 354 S CA -0.612 57.267 58.200 -0.534 0.000 0.925 354 S CB 1.333 64.361 63.200 -0.287 0.000 1.067 354 S HN 1.172 nan 8.310 nan 0.000 0.479 355 G N 0.697 108.357 108.800 -1.899 0.000 2.333 355 G HA2 0.454 4.415 3.960 0.002 0.000 0.290 355 G HA3 0.454 4.415 3.960 0.002 0.000 0.290 355 G C -0.994 173.667 174.900 -0.399 0.000 1.150 355 G CA -0.265 44.182 45.100 -1.089 0.000 0.895 355 G HN 0.690 nan 8.290 nan 0.000 0.444 356 D N 3.477 123.764 120.400 -0.189 0.000 2.458 356 D HA 0.264 4.905 4.640 0.002 0.000 0.258 356 D C -1.274 174.996 176.300 -0.050 0.000 1.134 356 D CA -2.076 51.854 54.000 -0.117 0.000 0.915 356 D CB 1.927 42.666 40.800 -0.101 0.000 1.028 356 D HN 0.151 nan 8.370 nan 0.000 0.508 357 P HA -0.082 nan 4.420 nan 0.000 0.231 357 P C 0.288 177.571 177.300 -0.028 0.000 1.154 357 P CA 0.571 63.652 63.100 -0.031 0.000 0.762 357 P CB 0.444 32.113 31.700 -0.052 0.000 0.790 358 N N -0.509 118.183 118.700 -0.014 0.000 2.282 358 N HA 0.213 4.955 4.740 0.002 0.000 0.240 358 N C -0.000 175.525 175.510 0.024 0.000 1.182 358 N CA -0.096 52.966 53.050 0.019 0.000 0.874 358 N CB 0.812 39.329 38.487 0.050 0.000 1.126 358 N HN 0.234 nan 8.380 nan 0.000 0.516 359 L N 0.915 122.146 121.223 0.014 0.000 2.331 359 L HA 0.334 4.676 4.340 0.002 0.000 0.275 359 L C 0.591 177.481 176.870 0.033 0.000 1.022 359 L CA -0.778 54.074 54.840 0.020 0.000 0.812 359 L CB 1.645 43.709 42.059 0.007 0.000 1.257 359 L HN -0.120 nan 8.230 nan 0.000 0.435 360 E N 1.387 121.609 120.200 0.037 0.000 2.404 360 E HA -0.020 4.331 4.350 0.002 0.000 0.261 360 E C 0.739 177.359 176.600 0.034 0.000 1.074 360 E CA -0.152 56.273 56.400 0.041 0.000 0.917 360 E CB 1.171 30.893 29.700 0.038 0.000 0.965 360 E HN 0.423 nan 8.360 nan 0.000 0.433 361 L N 2.703 123.939 121.223 0.021 0.000 1.991 361 L HA -0.238 4.103 4.340 0.002 0.000 0.221 361 L C 1.385 178.243 176.870 -0.021 0.000 1.079 361 L CA 2.311 57.130 54.840 -0.035 0.000 0.778 361 L CB -0.366 41.623 42.059 -0.117 0.000 0.893 361 L HN 0.582 nan 8.230 nan 0.000 0.437 362 D N -0.691 119.678 120.400 -0.053 0.000 2.676 362 D HA -0.009 4.632 4.640 0.002 0.000 0.239 362 D C 0.168 176.473 176.300 0.009 0.000 1.213 362 D CA -0.005 53.918 54.000 -0.129 0.000 0.835 362 D CB -0.135 40.584 40.800 -0.135 0.000 1.009 362 D HN 0.534 nan 8.370 nan 0.000 0.479 363 Q N -0.615 119.264 119.800 0.130 0.000 2.378 363 Q HA 0.632 4.973 4.340 0.002 0.000 0.276 363 Q C -1.407 174.648 176.000 0.091 0.000 1.083 363 Q CA -1.245 54.626 55.803 0.113 0.000 0.856 363 Q CB 3.266 32.032 28.738 0.046 0.000 1.383 363 Q HN 0.072 nan 8.270 nan 0.000 0.458 364 V N 0.119 120.008 119.914 -0.042 0.000 2.655 364 V HA 0.537 4.658 4.120 0.002 0.000 0.301 364 V C -0.778 175.254 176.094 -0.104 0.000 1.082 364 V CA -0.346 61.821 62.300 -0.223 0.000 0.899 364 V CB 1.664 33.170 31.823 -0.528 0.000 1.014 364 V HN 0.835 nan 8.190 nan 0.000 0.429 365 G N 5.934 114.688 108.800 -0.077 0.000 2.428 365 G HA2 0.415 4.376 3.960 0.002 0.000 0.293 365 G HA3 0.415 4.376 3.960 0.002 0.000 0.293 365 G C -0.297 174.604 174.900 0.002 0.000 1.059 365 G CA -0.057 45.023 45.100 -0.034 0.000 1.194 365 G HN 0.839 nan 8.290 nan 0.000 0.435 366 V N 6.619 126.512 119.914 -0.034 0.000 2.385 366 V HA 0.173 4.294 4.120 0.002 0.000 0.269 366 V C -1.685 174.289 176.094 -0.199 0.000 1.043 366 V CA -1.635 60.594 62.300 -0.119 0.000 0.906 366 V CB 1.438 33.250 31.823 -0.018 0.000 0.995 366 V HN 0.552 nan 8.190 nan 0.000 0.467 367 P HA -0.050 nan 4.420 nan 0.000 0.259 367 P C 0.774 177.944 177.300 -0.217 0.000 1.163 367 P CA 0.323 63.278 63.100 -0.242 0.000 0.760 367 P CB 0.635 32.158 31.700 -0.295 0.000 0.762 368 K N 3.775 124.051 120.400 -0.206 0.000 2.052 368 K HA -0.255 4.067 4.320 0.002 0.000 0.215 368 K C 2.033 178.504 176.600 -0.215 0.000 1.053 368 K CA 2.556 58.683 56.287 -0.267 0.000 0.934 368 K CB -0.612 31.740 32.500 -0.247 0.000 0.717 368 K HN 0.506 nan 8.250 nan 0.000 0.450 369 S N 0.125 115.726 115.700 -0.164 0.000 2.440 369 S HA -0.152 4.320 4.470 0.002 0.000 0.240 369 S C 1.865 176.412 174.600 -0.089 0.000 1.014 369 S CA 1.376 59.506 58.200 -0.118 0.000 0.980 369 S CB -0.553 62.585 63.200 -0.103 0.000 0.775 369 S HN 0.379 nan 8.310 nan 0.000 0.499 370 I N 1.392 121.896 120.570 -0.111 0.000 2.494 370 I HA 0.076 4.247 4.170 0.002 0.000 0.250 370 I C 3.024 179.142 176.117 0.001 0.000 1.112 370 I CA 0.890 62.150 61.300 -0.067 0.000 1.438 370 I CB -0.924 36.992 38.000 -0.139 0.000 1.111 370 I HN 0.424 nan 8.210 nan 0.000 0.431 371 A N 0.912 123.710 122.820 -0.038 0.000 2.070 371 A HA -0.162 4.159 4.320 0.002 0.000 0.220 371 A C 2.174 179.835 177.584 0.128 0.000 1.159 371 A CA 1.276 53.338 52.037 0.042 0.000 0.656 371 A CB -0.404 18.550 19.000 -0.077 0.000 0.800 371 A HN 0.295 nan 8.150 nan 0.000 0.453 372 K N -0.747 119.662 120.400 0.015 0.000 2.432 372 K HA -0.030 4.291 4.320 0.002 0.000 0.196 372 K C 1.195 177.936 176.600 0.235 0.000 1.038 372 K CA 1.455 57.732 56.287 -0.016 0.000 0.986 372 K CB 0.052 32.496 32.500 -0.093 0.000 0.782 372 K HN 0.661 nan 8.250 nan 0.000 0.485 373 T N -0.138 114.532 114.554 0.194 0.000 3.085 373 T HA 0.173 4.524 4.350 0.002 0.000 0.241 373 T C 0.902 175.721 174.700 0.198 0.000 0.988 373 T CA -0.308 61.894 62.100 0.171 0.000 1.117 373 T CB 0.057 68.975 68.868 0.083 0.000 0.978 373 T HN -0.074 nan 8.240 nan 0.000 0.454 374 L N 2.090 123.435 121.223 0.202 0.000 2.461 374 L HA 0.451 4.793 4.340 0.002 0.000 0.272 374 L C 0.391 177.432 176.870 0.286 0.000 1.197 374 L CA 0.091 55.081 54.840 0.249 0.000 0.836 374 L CB 0.455 42.655 42.059 0.234 0.000 1.105 374 L HN 0.153 nan 8.230 nan 0.000 0.477 375 T N 1.769 116.534 114.554 0.351 0.000 3.011 375 T HA 0.287 4.638 4.350 0.002 0.000 0.303 375 T C -1.123 173.668 174.700 0.153 0.000 0.997 375 T CA -0.448 61.809 62.100 0.262 0.000 1.007 375 T CB 0.383 69.400 68.868 0.248 0.000 1.017 375 T HN 0.356 nan 8.240 nan 0.000 0.443 376 Y N 7.692 128.010 120.300 0.029 0.000 2.335 376 Y HA 0.482 5.033 4.550 0.001 0.000 0.331 376 Y C -2.096 173.778 175.900 -0.043 0.000 1.094 376 Y CA -2.015 56.057 58.100 -0.046 0.000 1.253 376 Y CB 1.313 39.765 38.460 -0.014 0.000 1.203 376 Y HN 0.397 nan 8.280 nan 0.000 0.508 377 P HA 0.108 nan 4.420 nan 0.000 0.283 377 P C -1.293 176.049 177.300 0.070 0.000 1.412 377 P CA -0.144 62.849 63.100 -0.177 0.000 0.912 377 P CB 0.862 32.385 31.700 -0.295 0.000 1.132 378 E N 2.962 123.347 120.200 0.308 0.000 2.204 378 E HA 0.378 4.730 4.350 0.002 0.000 0.276 378 E C -0.740 175.972 176.600 0.188 0.000 0.974 378 E CA -0.942 55.658 56.400 0.333 0.000 0.815 378 E CB 1.189 31.023 29.700 0.223 0.000 1.119 378 E HN 0.077 nan 8.360 nan 0.000 0.393 379 V N 3.545 123.564 119.914 0.175 0.000 2.743 379 V HA 0.197 4.318 4.120 0.002 0.000 0.301 379 V C -0.084 176.090 176.094 0.133 0.000 1.057 379 V CA -0.889 61.502 62.300 0.152 0.000 1.006 379 V CB 1.568 33.482 31.823 0.151 0.000 1.024 379 V HN 0.546 nan 8.190 nan 0.000 0.473 380 V N 3.080 123.071 119.914 0.128 0.000 2.508 380 V HA 0.470 4.591 4.120 0.002 0.000 0.281 380 V C 0.343 176.473 176.094 0.060 0.000 1.041 380 V CA 0.504 62.822 62.300 0.030 0.000 1.016 380 V CB 0.892 32.688 31.823 -0.045 0.000 0.984 380 V HN 1.048 nan 8.190 nan 0.000 0.478 381 T N 6.288 120.841 114.554 -0.002 0.000 2.957 381 T HA 0.376 4.728 4.350 0.002 0.000 0.336 381 T C -2.191 172.557 174.700 0.080 0.000 1.462 381 T CA -0.830 61.382 62.100 0.187 0.000 1.073 381 T CB 2.266 71.314 68.868 0.299 0.000 1.319 381 T HN 0.393 nan 8.240 nan 0.000 0.485 382 P HA -0.127 nan 4.420 nan 0.000 0.217 382 P C 0.911 178.132 177.300 -0.132 0.000 1.148 382 P CA 1.483 64.579 63.100 -0.005 0.000 0.828 382 P CB -0.103 31.487 31.700 -0.184 0.000 0.783 383 Y N 1.251 121.598 120.300 0.079 0.000 2.333 383 Y HA -0.161 4.390 4.550 0.002 0.000 0.290 383 Y C 2.141 178.049 175.900 0.012 0.000 1.144 383 Y CA 1.410 59.533 58.100 0.038 0.000 1.228 383 Y CB -1.074 37.406 38.460 0.034 0.000 0.985 383 Y HN 0.217 nan 8.280 nan 0.000 0.542 384 N N -0.826 117.949 118.700 0.125 0.000 2.239 384 N HA 0.025 4.767 4.740 0.002 0.000 0.208 384 N C 0.954 176.460 175.510 -0.007 0.000 1.200 384 N CA 0.300 53.386 53.050 0.062 0.000 0.895 384 N CB -1.108 37.422 38.487 0.073 0.000 1.085 384 N HN 0.286 nan 8.380 nan 0.000 0.500 385 I N 0.667 121.196 120.570 -0.068 0.000 2.285 385 I HA -0.331 3.840 4.170 0.002 0.000 0.253 385 I C 0.954 177.033 176.117 -0.063 0.000 1.104 385 I CA 1.803 63.033 61.300 -0.116 0.000 1.372 385 I CB -0.499 37.372 38.000 -0.216 0.000 1.057 385 I HN 0.081 nan 8.210 nan 0.000 0.431 386 D N 0.370 120.748 120.400 -0.036 0.000 2.106 386 D HA -0.133 4.508 4.640 0.002 0.000 0.203 386 D C 2.297 178.589 176.300 -0.013 0.000 0.977 386 D CA 1.036 55.022 54.000 -0.022 0.000 0.844 386 D CB -0.184 40.609 40.800 -0.012 0.000 1.002 386 D HN 0.267 nan 8.370 nan 0.000 0.461 387 R N 0.734 121.232 120.500 -0.004 0.000 2.105 387 R HA -0.128 4.213 4.340 0.002 0.000 0.239 387 R C 1.920 178.216 176.300 -0.006 0.000 1.135 387 R CA 1.041 57.139 56.100 -0.003 0.000 0.967 387 R CB -0.347 29.954 30.300 0.001 0.000 0.861 387 R HN 0.220 nan 8.270 nan 0.000 0.442 388 L N 0.070 121.289 121.223 -0.007 0.000 2.022 388 L HA -0.096 4.246 4.340 0.002 0.000 0.204 388 L C 2.395 179.261 176.870 -0.006 0.000 1.076 388 L CA 1.846 56.684 54.840 -0.003 0.000 0.749 388 L CB -0.596 41.464 42.059 0.001 0.000 0.903 388 L HN 0.308 nan 8.230 nan 0.000 0.439 389 T N -0.768 113.775 114.554 -0.019 0.000 2.649 389 T HA -0.368 3.983 4.350 0.002 0.000 0.268 389 T C 1.630 176.326 174.700 -0.007 0.000 1.036 389 T CA 2.026 64.116 62.100 -0.016 0.000 1.157 389 T CB -0.362 68.485 68.868 -0.035 0.000 0.861 389 T HN 0.297 nan 8.240 nan 0.000 0.445 390 Q N 0.945 120.739 119.800 -0.010 0.000 2.082 390 Q HA -0.162 4.179 4.340 0.002 0.000 0.211 390 Q C 2.113 178.111 176.000 -0.002 0.000 1.002 390 Q CA 1.805 57.604 55.803 -0.007 0.000 0.868 390 Q CB -0.686 28.047 28.738 -0.009 0.000 0.931 390 Q HN 0.568 nan 8.270 nan 0.000 0.414 391 L N -0.505 120.717 121.223 -0.001 0.000 2.027 391 L HA -0.149 4.192 4.340 0.002 0.000 0.206 391 L C 2.436 179.312 176.870 0.011 0.000 1.074 391 L CA 1.121 55.965 54.840 0.006 0.000 0.745 391 L CB -0.685 41.377 42.059 0.005 0.000 0.898 391 L HN 0.197 nan 8.230 nan 0.000 0.433 392 V N -0.149 119.770 119.914 0.008 0.000 2.282 392 V HA -0.327 3.795 4.120 0.002 0.000 0.249 392 V C 2.584 178.683 176.094 0.008 0.000 1.057 392 V CA 1.857 64.163 62.300 0.010 0.000 1.032 392 V CB -0.806 31.032 31.823 0.025 0.000 0.645 392 V HN 0.419 nan 8.190 nan 0.000 0.447 393 R N -0.045 120.459 120.500 0.008 0.000 2.120 393 R HA -0.136 4.205 4.340 0.002 0.000 0.234 393 R C 2.333 178.637 176.300 0.007 0.000 1.123 393 R CA 1.317 57.420 56.100 0.006 0.000 0.975 393 R CB -0.407 29.895 30.300 0.003 0.000 0.866 393 R HN 0.502 nan 8.270 nan 0.000 0.446 394 N N 0.154 118.860 118.700 0.010 0.000 2.289 394 N HA -0.074 4.667 4.740 0.002 0.000 0.184 394 N C 0.406 175.930 175.510 0.024 0.000 1.016 394 N CA 1.386 54.444 53.050 0.013 0.000 0.872 394 N CB 0.217 38.709 38.487 0.010 0.000 0.973 394 N HN 0.345 nan 8.380 nan 0.000 0.433 395 G N -0.084 108.736 108.800 0.033 0.000 2.692 395 G HA2 -0.128 3.833 3.960 0.002 0.000 0.686 395 G HA3 -0.128 3.833 3.960 0.002 0.000 0.686 395 G C -2.523 172.436 174.900 0.099 0.000 1.243 395 G CA -0.461 44.658 45.100 0.032 0.000 0.782 395 G HN 0.063 nan 8.290 nan 0.000 0.625 396 P HA 0.168 nan 4.420 nan 0.000 0.255 396 P C 0.689 178.068 177.300 0.131 0.000 1.427 396 P CA 0.416 63.632 63.100 0.194 0.000 0.863 396 P CB 0.059 31.767 31.700 0.013 0.000 1.444 397 N N -1.406 117.323 118.700 0.049 0.000 2.372 397 N HA 0.027 4.768 4.740 0.002 0.000 0.242 397 N C 0.560 176.053 175.510 -0.028 0.000 1.124 397 N CA -0.014 53.033 53.050 -0.006 0.000 0.824 397 N CB 0.137 38.619 38.487 -0.009 0.000 1.468 397 N HN 0.117 nan 8.380 nan 0.000 0.470 398 E N -0.032 120.160 120.200 -0.014 0.000 2.369 398 E HA -0.001 4.350 4.350 0.002 0.000 0.255 398 E C 0.348 176.931 176.600 -0.028 0.000 1.172 398 E CA -0.196 56.196 56.400 -0.012 0.000 0.932 398 E CB 0.824 30.523 29.700 -0.002 0.000 1.040 398 E HN 0.211 nan 8.360 nan 0.000 0.454 399 H N 1.558 120.560 119.070 -0.114 0.000 3.033 399 H HA 0.114 4.671 4.556 0.001 0.000 0.313 399 H C -1.873 173.379 175.328 -0.126 0.000 1.029 399 H CA 0.478 56.419 56.048 -0.178 0.000 1.259 399 H CB -1.118 28.570 29.762 -0.123 0.000 1.630 399 H HN 0.301 nan 8.280 nan 0.000 0.830 400 P HA 0.175 nan 4.420 nan 0.000 0.259 400 P C -0.425 176.818 177.300 -0.096 0.000 1.211 400 P CA 1.290 64.046 63.100 -0.574 0.000 0.810 400 P CB 0.376 31.857 31.700 -0.364 0.000 0.815 401 G N 1.644 110.593 108.800 0.249 0.000 2.529 401 G HA2 0.710 4.671 3.960 0.002 0.000 0.238 401 G HA3 0.710 4.671 3.960 0.002 0.000 0.238 401 G C -1.966 172.946 174.900 0.019 0.000 1.207 401 G CA 0.057 45.308 45.100 0.251 0.000 0.928 401 G HN 0.533 nan 8.290 nan 0.000 0.495 402 A N -0.513 122.196 122.820 -0.184 0.000 2.599 402 A HA 0.699 5.021 4.320 0.002 0.000 0.294 402 A C -1.159 176.280 177.584 -0.242 0.000 1.055 402 A CA -0.550 51.230 52.037 -0.427 0.000 0.683 402 A CB 1.545 20.444 19.000 -0.167 0.000 1.278 402 A HN 1.015 nan 8.150 nan 0.000 0.412 403 K N 1.124 121.389 120.400 -0.225 0.000 2.123 403 K HA 0.709 5.030 4.320 0.002 0.000 0.259 403 K C -1.193 175.375 176.600 -0.054 0.000 0.960 403 K CA -0.362 55.780 56.287 -0.242 0.000 0.872 403 K CB 0.979 33.279 32.500 -0.334 0.000 1.079 403 K HN 1.047 nan 8.250 nan 0.000 0.440 404 Y N -1.880 118.379 120.300 -0.068 0.000 2.554 404 Y HA -0.225 4.329 4.550 0.007 0.000 0.023 404 Y C -0.708 175.171 175.900 -0.036 0.000 1.752 404 Y CA -0.381 57.690 58.100 -0.048 0.000 1.386 404 Y CB -0.826 37.613 38.460 -0.035 0.000 2.034 404 Y HN 0.415 nan 8.280 nan 0.000 0.261 405 V N 4.915 124.898 119.914 0.115 0.000 2.760 405 V HA 0.754 4.876 4.120 0.002 0.000 0.309 405 V C -0.573 175.496 176.094 -0.041 0.000 1.077 405 V CA -0.917 61.418 62.300 0.059 0.000 0.910 405 V CB 2.132 33.999 31.823 0.074 0.000 1.008 405 V HN 0.487 nan 8.190 nan 0.000 0.424 406 I N 4.505 125.017 120.570 -0.097 0.000 2.498 406 I HA 0.626 4.797 4.170 0.002 0.000 0.290 406 I C 0.146 175.969 176.117 -0.491 0.000 1.032 406 I CA -0.299 60.865 61.300 -0.227 0.000 1.073 406 I CB 1.959 39.889 38.000 -0.116 0.000 1.251 406 I HN 0.472 nan 8.210 nan 0.000 0.426 407 R N 2.585 122.666 120.500 -0.699 0.000 2.867 407 R HA 0.415 4.756 4.340 0.002 0.000 0.227 407 R C 0.366 176.346 176.300 -0.533 0.000 1.372 407 R CA -0.854 54.494 56.100 -1.254 0.000 1.083 407 R CB 0.616 30.236 30.300 -1.134 0.000 1.596 407 R HN 0.539 nan 8.270 nan 0.000 0.522 408 D N 0.566 120.821 120.400 -0.242 0.000 2.087 408 D HA -0.173 4.468 4.640 0.002 0.000 0.192 408 D C 1.828 178.138 176.300 0.017 0.000 0.993 408 D CA 2.382 56.434 54.000 0.087 0.000 0.828 408 D CB -0.271 40.672 40.800 0.239 0.000 0.968 408 D HN 0.491 nan 8.370 nan 0.000 0.448 409 S N -0.317 115.375 115.700 -0.013 0.000 2.383 409 S HA -0.031 4.440 4.470 0.002 0.000 0.229 409 S C 1.720 176.298 174.600 -0.038 0.000 1.030 409 S CA 1.343 59.537 58.200 -0.011 0.000 1.002 409 S CB -0.331 62.859 63.200 -0.015 0.000 0.829 409 S HN 0.475 nan 8.310 nan 0.000 0.467 410 G N 1.440 110.180 108.800 -0.100 0.000 2.392 410 G HA2 -0.054 3.907 3.960 0.002 0.000 0.215 410 G HA3 -0.054 3.907 3.960 0.002 0.000 0.215 410 G C -0.921 173.922 174.900 -0.095 0.000 1.097 410 G CA -0.144 44.896 45.100 -0.101 0.000 0.840 410 G HN 0.491 nan 8.290 nan 0.000 0.492 411 D N -0.631 119.692 120.400 -0.128 0.000 2.269 411 D HA 0.524 5.165 4.640 0.002 0.000 0.244 411 D C 0.466 176.710 176.300 -0.093 0.000 0.992 411 D CA -0.680 53.267 54.000 -0.089 0.000 0.894 411 D CB 1.215 41.969 40.800 -0.075 0.000 1.248 411 D HN 0.220 nan 8.370 nan 0.000 0.468 412 R N 1.259 121.739 120.500 -0.034 0.000 2.235 412 R HA 0.278 4.619 4.340 0.002 0.000 0.338 412 R C -0.541 175.787 176.300 0.047 0.000 1.087 412 R CA -0.612 55.499 56.100 0.019 0.000 0.948 412 R CB -0.105 30.233 30.300 0.064 0.000 1.099 412 R HN 0.219 nan 8.270 nan 0.000 0.483 413 I N 3.295 123.873 120.570 0.013 0.000 2.436 413 I HA 0.003 4.174 4.170 0.002 0.000 0.289 413 I C 0.108 176.247 176.117 0.037 0.000 1.083 413 I CA 0.053 61.359 61.300 0.010 0.000 1.372 413 I CB 0.882 38.863 38.000 -0.032 0.000 1.408 413 I HN 0.412 nan 8.210 nan 0.000 0.516 414 D N 6.983 127.380 120.400 -0.006 0.000 2.412 414 D HA 0.209 4.850 4.640 0.002 0.000 0.224 414 D C 0.579 176.735 176.300 -0.240 0.000 1.093 414 D CA -0.296 53.608 54.000 -0.160 0.000 0.850 414 D CB 0.855 41.607 40.800 -0.080 0.000 1.046 414 D HN 0.404 nan 8.370 nan 0.000 0.507 415 L N 4.050 125.080 121.223 -0.321 0.000 2.675 415 L HA 0.094 4.435 4.340 0.002 0.000 0.239 415 L C 2.157 178.867 176.870 -0.267 0.000 1.151 415 L CA 0.061 54.767 54.840 -0.222 0.000 0.905 415 L CB -0.224 41.738 42.059 -0.162 0.000 1.057 415 L HN 0.316 nan 8.230 nan 0.000 0.435 416 R N -1.502 118.732 120.500 -0.444 0.000 2.307 416 R HA 0.121 4.463 4.340 0.002 0.000 0.200 416 R C 0.334 176.333 176.300 -0.502 0.000 0.893 416 R CA 0.085 55.878 56.100 -0.513 0.000 1.042 416 R CB 0.139 30.025 30.300 -0.691 0.000 1.059 416 R HN 0.244 nan 8.270 nan 0.000 0.530 417 Y N 0.729 120.985 120.300 -0.072 0.000 3.171 417 Y HA 0.385 4.931 4.550 -0.006 0.000 0.271 417 Y C 0.244 176.123 175.900 -0.036 0.000 1.865 417 Y CA -0.670 57.404 58.100 -0.044 0.000 0.855 417 Y CB -0.085 38.353 38.460 -0.037 0.000 1.298 417 Y HN 0.040 nan 8.280 nan 0.000 0.635 418 S N 0.727 116.531 115.700 0.174 0.000 3.030 418 S HA -0.180 4.291 4.470 0.002 0.000 0.855 418 S C 0.567 175.201 174.600 0.058 0.000 0.973 418 S CA 0.352 58.602 58.200 0.083 0.000 1.342 418 S CB -0.327 62.898 63.200 0.042 0.000 0.961 418 S HN 0.801 nan 8.310 nan 0.000 0.275 419 K N 4.454 124.882 120.400 0.048 0.000 2.113 419 K HA -0.093 4.229 4.320 0.002 0.000 0.208 419 K C 1.116 177.735 176.600 0.033 0.000 1.047 419 K CA 1.702 58.010 56.287 0.036 0.000 0.928 419 K CB -0.140 32.378 32.500 0.030 0.000 0.716 419 K HN 0.635 nan 8.250 nan 0.000 0.446 420 R N 0.389 120.910 120.500 0.035 0.000 3.585 420 R HA 0.276 4.617 4.340 0.002 0.000 0.324 420 R C 0.476 176.797 176.300 0.034 0.000 1.372 420 R CA 0.071 56.192 56.100 0.036 0.000 1.291 420 R CB 1.011 31.338 30.300 0.044 0.000 1.470 420 R HN 0.323 nan 8.270 nan 0.000 0.633 421 A N 0.076 122.911 122.820 0.025 0.000 2.044 421 A HA 0.106 4.427 4.320 0.002 0.000 0.213 421 A C 1.540 179.131 177.584 0.012 0.000 1.169 421 A CA 0.636 52.681 52.037 0.012 0.000 0.724 421 A CB 0.355 19.355 19.000 -0.000 0.000 0.840 421 A HN 0.419 nan 8.150 nan 0.000 0.463 422 G N -0.505 108.304 108.800 0.015 0.000 4.178 422 G HA2 0.448 4.409 3.960 0.002 0.000 0.287 422 G HA3 0.448 4.409 3.960 0.002 0.000 0.287 422 G C -0.399 174.511 174.900 0.017 0.000 1.293 422 G CA 0.308 45.416 45.100 0.013 0.000 1.393 422 G HN 0.273 nan 8.290 nan 0.000 0.623 423 D N 0.037 120.451 120.400 0.024 0.000 4.515 423 D HA 0.241 4.883 4.640 0.002 0.000 0.237 423 D C 0.085 176.408 176.300 0.039 0.000 1.726 423 D CA -0.162 53.856 54.000 0.029 0.000 1.128 423 D CB 0.021 40.842 40.800 0.035 0.000 1.677 423 D HN 0.333 nan 8.370 nan 0.000 0.603 424 I N 0.837 121.443 120.570 0.060 0.000 8.444 424 I HA -0.186 3.985 4.170 0.002 0.000 0.126 424 I C -0.819 175.337 176.117 0.065 0.000 1.836 424 I CA 0.151 61.511 61.300 0.101 0.000 2.074 424 I CB -0.822 37.252 38.000 0.124 0.000 3.795 424 I HN 0.185 nan 8.210 nan 0.000 0.181 425 Q N 6.787 126.610 119.800 0.040 0.000 2.406 425 Q HA 0.498 4.840 4.340 0.002 0.000 0.242 425 Q C -0.052 175.844 176.000 -0.174 0.000 1.036 425 Q CA -0.678 55.092 55.803 -0.055 0.000 0.904 425 Q CB 1.490 30.186 28.738 -0.070 0.000 1.244 425 Q HN 0.574 nan 8.270 nan 0.000 0.478 426 L N 2.751 123.883 121.223 -0.152 0.000 2.601 426 L HA -0.097 4.244 4.340 0.002 0.000 0.277 426 L C 0.679 177.223 176.870 -0.542 0.000 1.219 426 L CA 0.522 55.212 54.840 -0.250 0.000 0.915 426 L CB 0.010 41.990 42.059 -0.132 0.000 1.160 426 L HN 0.500 nan 8.230 nan 0.000 0.494 427 Q N 4.282 123.492 119.800 -0.984 0.000 2.943 427 Q HA 0.258 4.599 4.340 0.002 0.000 0.327 427 Q C -1.381 174.194 176.000 -0.708 0.000 0.937 427 Q CA -0.622 54.590 55.803 -0.985 0.000 0.914 427 Q CB 0.055 28.021 28.738 -1.286 0.000 1.339 427 Q HN 0.372 nan 8.270 nan 0.000 0.417 428 Y N 0.088 120.181 120.300 -0.344 0.000 2.565 428 Y HA -0.274 4.278 4.550 0.003 0.000 0.072 428 Y C 1.364 177.246 175.900 -0.031 0.000 1.740 428 Y CA 1.635 59.648 58.100 -0.144 0.000 1.373 428 Y CB -0.246 38.142 38.460 -0.120 0.000 2.017 428 Y HN 0.789 nan 8.280 nan 0.000 0.264 429 G N 0.844 109.788 108.800 0.241 0.000 2.176 429 G HA2 -0.279 3.682 3.960 0.002 0.000 0.252 429 G HA3 -0.279 3.682 3.960 0.002 0.000 0.252 429 G C -0.343 174.793 174.900 0.393 0.000 1.024 429 G CA -0.053 45.203 45.100 0.260 0.000 0.755 429 G HN 0.591 nan 8.290 nan 0.000 0.507 430 W N -0.228 121.105 121.300 0.056 0.000 2.703 430 W HA 0.778 5.438 4.660 0.000 0.000 0.359 430 W C 0.494 177.032 176.519 0.032 0.000 1.168 430 W CA -1.363 56.003 57.345 0.035 0.000 1.177 430 W CB 1.057 30.528 29.460 0.019 0.000 1.434 430 W HN -0.018 nan 8.180 nan 0.000 0.618 431 K N 1.145 121.681 120.400 0.225 0.000 2.426 431 K HA 0.531 4.852 4.320 0.002 0.000 0.254 431 K C -1.470 175.202 176.600 0.120 0.000 0.936 431 K CA -0.914 55.456 56.287 0.137 0.000 0.801 431 K CB 2.393 34.934 32.500 0.068 0.000 1.139 431 K HN 0.057 nan 8.250 nan 0.000 0.424 432 V N 3.027 123.012 119.914 0.118 0.000 2.293 432 V HA 0.118 4.240 4.120 0.002 0.000 0.275 432 V C 0.002 176.150 176.094 0.089 0.000 1.021 432 V CA -0.676 61.682 62.300 0.097 0.000 0.815 432 V CB 0.859 32.731 31.823 0.082 0.000 1.025 432 V HN 0.720 nan 8.190 nan 0.000 0.448 433 E N 5.384 125.635 120.200 0.085 0.000 1.774 433 E HA 0.081 4.432 4.350 0.002 0.000 0.265 433 E C 0.439 177.056 176.600 0.028 0.000 1.207 433 E CA -0.230 56.221 56.400 0.085 0.000 1.054 433 E CB 0.127 29.899 29.700 0.120 0.000 1.074 433 E HN 0.649 nan 8.360 nan 0.000 0.433 434 R N 1.513 122.033 120.500 0.034 0.000 2.637 434 R HA 0.235 4.577 4.340 0.002 0.000 0.269 434 R C 0.351 176.625 176.300 -0.043 0.000 1.089 434 R CA -0.663 55.407 56.100 -0.051 0.000 1.177 434 R CB 0.520 30.835 30.300 0.024 0.000 1.091 434 R HN 0.327 nan 8.270 nan 0.000 0.540 435 H N 0.232 119.358 119.070 0.093 0.000 2.801 435 H HA 0.021 4.577 4.556 0.001 0.000 0.377 435 H C 0.281 175.692 175.328 0.138 0.000 1.304 435 H CA 0.040 56.163 56.048 0.126 0.000 1.451 435 H CB 0.404 30.238 29.762 0.119 0.000 1.474 435 H HN 0.304 nan 8.280 nan 0.000 0.620 436 I N 1.477 122.241 120.570 0.322 0.000 2.496 436 I HA -0.012 4.159 4.170 0.002 0.000 0.285 436 I C 0.754 177.019 176.117 0.246 0.000 1.080 436 I CA 0.665 62.107 61.300 0.237 0.000 1.404 436 I CB 0.176 38.303 38.000 0.212 0.000 1.403 436 I HN 0.285 nan 8.210 nan 0.000 0.539 437 M N 3.291 122.986 119.600 0.158 0.000 2.762 437 M HA 0.391 4.873 4.480 0.002 0.000 0.306 437 M C -0.331 176.034 176.300 0.107 0.000 1.223 437 M CA -1.223 54.164 55.300 0.145 0.000 0.896 437 M CB 0.907 33.545 32.600 0.062 0.000 1.684 437 M HN 0.314 nan 8.290 nan 0.000 0.491 438 D N 1.744 122.204 120.400 0.100 0.000 2.474 438 D HA -0.030 4.612 4.640 0.002 0.000 0.232 438 D C -0.138 176.186 176.300 0.038 0.000 1.177 438 D CA 1.180 55.217 54.000 0.061 0.000 0.876 438 D CB 0.116 40.947 40.800 0.052 0.000 1.208 438 D HN 0.501 nan 8.370 nan 0.000 0.464 439 N N 1.821 120.539 118.700 0.031 0.000 2.650 439 N HA -0.188 4.553 4.740 0.002 0.000 0.272 439 N C -1.194 174.323 175.510 0.012 0.000 1.058 439 N CA 0.851 53.913 53.050 0.020 0.000 0.765 439 N CB -0.539 37.954 38.487 0.010 0.000 0.902 439 N HN 0.361 nan 8.380 nan 0.000 0.551 440 D N -0.258 120.159 120.400 0.029 0.000 2.350 440 D HA 0.490 5.131 4.640 0.002 0.000 0.238 440 D C -2.280 174.050 176.300 0.050 0.000 0.989 440 D CA -1.288 52.727 54.000 0.025 0.000 0.921 440 D CB 1.802 42.627 40.800 0.042 0.000 1.297 440 D HN 0.037 nan 8.370 nan 0.000 0.490 441 P HA 0.258 nan 4.420 nan 0.000 0.284 441 P C -0.866 176.504 177.300 0.116 0.000 1.253 441 P CA -0.473 62.674 63.100 0.079 0.000 0.800 441 P CB 1.129 32.869 31.700 0.067 0.000 0.961 442 V N 1.158 121.156 119.914 0.140 0.000 2.851 442 V HA 0.373 4.495 4.120 0.002 0.000 0.307 442 V C -0.406 175.819 176.094 0.218 0.000 1.129 442 V CA -1.025 61.379 62.300 0.173 0.000 0.932 442 V CB 2.181 34.100 31.823 0.161 0.000 1.024 442 V HN 0.424 nan 8.190 nan 0.000 0.426 443 L N 4.366 125.726 121.223 0.228 0.000 2.278 443 L HA 0.546 4.887 4.340 0.002 0.000 0.287 443 L C -1.316 175.747 176.870 0.322 0.000 1.072 443 L CA -0.238 54.751 54.840 0.249 0.000 0.819 443 L CB 0.865 43.021 42.059 0.162 0.000 1.176 443 L HN 0.842 nan 8.230 nan 0.000 0.435 444 F N 7.087 127.104 119.950 0.113 0.000 2.445 444 F HA 0.388 4.916 4.527 0.002 0.000 0.348 444 F C -0.182 175.611 175.800 -0.012 0.000 1.125 444 F CA -0.813 57.144 58.000 -0.073 0.000 0.983 444 F CB 0.815 39.636 39.000 -0.298 0.000 1.198 444 F HN 0.533 nan 8.300 nan 0.000 0.436 445 N N 5.434 123.915 118.700 -0.366 0.000 2.545 445 N HA 0.557 5.298 4.740 0.002 0.000 0.289 445 N C -1.699 173.544 175.510 -0.445 0.000 1.279 445 N CA -0.710 52.215 53.050 -0.208 0.000 0.824 445 N CB 2.427 40.916 38.487 0.004 0.000 1.395 445 N HN 0.721 nan 8.380 nan 0.000 0.526 446 R N 0.746 121.139 120.500 -0.178 0.000 2.574 446 R HA 0.230 4.571 4.340 0.002 0.000 0.288 446 R C -1.226 175.038 176.300 -0.061 0.000 1.004 446 R CA -0.434 55.557 56.100 -0.183 0.000 0.895 446 R CB 1.622 31.841 30.300 -0.136 0.000 1.191 446 R HN 0.672 nan 8.270 nan 0.000 0.444 447 Q N 3.073 122.834 119.800 -0.065 0.000 2.222 447 Q HA 0.416 4.757 4.340 0.002 0.000 0.252 447 Q C -2.157 173.828 176.000 -0.025 0.000 0.926 447 Q CA -1.546 54.239 55.803 -0.031 0.000 0.899 447 Q CB 1.440 30.162 28.738 -0.027 0.000 1.250 447 Q HN 0.364 nan 8.270 nan 0.000 0.441 448 P HA 0.133 nan 4.420 nan 0.000 0.296 448 P C -1.215 176.079 177.300 -0.009 0.000 1.306 448 P CA -0.683 62.408 63.100 -0.014 0.000 0.818 448 P CB 1.302 32.992 31.700 -0.017 0.000 0.969 449 S N 3.050 118.745 115.700 -0.008 0.000 2.414 449 S HA 0.257 4.728 4.470 0.002 0.000 0.290 449 S C 0.449 175.023 174.600 -0.043 0.000 1.160 449 S CA -0.499 57.700 58.200 -0.002 0.000 1.069 449 S CB -0.630 62.572 63.200 0.002 0.000 1.012 449 S HN 0.296 nan 8.310 nan 0.000 0.510 450 L N 1.202 122.375 121.223 -0.083 0.000 3.288 450 L HA 0.618 4.959 4.340 0.002 0.000 0.293 450 L C -0.297 176.316 176.870 -0.428 0.000 1.294 450 L CA -0.404 54.303 54.840 -0.223 0.000 1.006 450 L CB -1.093 40.815 42.059 -0.252 0.000 1.407 450 L HN 0.752 nan 8.230 nan 0.000 0.592 451 H N -1.205 117.814 119.070 -0.085 0.000 3.037 451 H HA 0.360 4.917 4.556 0.002 0.000 0.355 451 H C 0.202 175.471 175.328 -0.098 0.000 1.263 451 H CA -0.914 55.071 56.048 -0.105 0.000 1.129 451 H CB 1.788 31.477 29.762 -0.122 0.000 1.861 451 H HN 0.025 nan 8.280 nan 0.000 0.546 452 K N 0.681 121.112 120.400 0.053 0.000 2.103 452 K HA -0.133 4.189 4.320 0.002 0.000 0.207 452 K C 1.180 177.763 176.600 -0.028 0.000 1.048 452 K CA 1.770 58.052 56.287 -0.008 0.000 0.930 452 K CB -0.044 32.433 32.500 -0.037 0.000 0.716 452 K HN 0.377 nan 8.250 nan 0.000 0.444 453 M N 1.340 120.905 119.600 -0.059 0.000 2.460 453 M HA -0.011 4.470 4.480 0.002 0.000 0.263 453 M C 1.198 177.324 176.300 -0.290 0.000 1.071 453 M CA 0.955 56.110 55.300 -0.242 0.000 1.096 453 M CB 0.204 32.523 32.600 -0.469 0.000 1.408 453 M HN -0.015 nan 8.290 nan 0.000 0.463 454 S N 0.095 115.756 115.700 -0.064 0.000 2.743 454 S HA 0.296 4.767 4.470 0.002 0.000 0.230 454 S C 0.203 174.869 174.600 0.110 0.000 0.950 454 S CA 0.296 58.505 58.200 0.016 0.000 0.976 454 S CB -0.145 63.121 63.200 0.110 0.000 0.779 454 S HN 0.315 nan 8.310 nan 0.000 0.487 455 M N 2.089 121.723 119.600 0.057 0.000 2.164 455 M HA 0.389 4.870 4.480 0.002 0.000 0.260 455 M C -1.515 174.856 176.300 0.119 0.000 0.974 455 M CA 0.195 55.570 55.300 0.126 0.000 1.020 455 M CB 1.684 34.314 32.600 0.051 0.000 1.903 455 M HN 0.078 nan 8.290 nan 0.000 0.469 456 M N 2.113 121.877 119.600 0.273 0.000 2.386 456 M HA 0.628 5.109 4.480 0.002 0.000 0.293 456 M C -0.210 176.305 176.300 0.358 0.000 1.120 456 M CA -0.782 54.656 55.300 0.229 0.000 0.909 456 M CB 2.208 34.911 32.600 0.173 0.000 1.661 456 M HN 0.665 nan 8.290 nan 0.000 0.452 457 A N 2.850 125.771 122.820 0.167 0.000 2.488 457 A HA 0.401 4.723 4.320 0.002 0.000 0.249 457 A C -0.627 177.023 177.584 0.110 0.000 1.083 457 A CA 0.335 52.467 52.037 0.159 0.000 0.768 457 A CB 0.011 19.050 19.000 0.066 0.000 1.017 457 A HN 0.887 nan 8.150 nan 0.000 0.496 458 H N 1.262 120.375 119.070 0.070 0.000 2.797 458 H HA 0.374 4.931 4.556 0.002 0.000 0.372 458 H C -0.196 175.134 175.328 0.004 0.000 1.168 458 H CA -0.817 55.243 56.048 0.020 0.000 1.163 458 H CB 1.609 31.344 29.762 -0.045 0.000 1.778 458 H HN 0.759 nan 8.280 nan 0.000 0.551 459 R N 0.373 120.935 120.500 0.102 0.000 2.637 459 R HA 0.359 4.700 4.340 0.002 0.000 0.269 459 R C -0.660 175.675 176.300 0.058 0.000 1.089 459 R CA -0.572 55.564 56.100 0.061 0.000 1.177 459 R CB 0.797 31.117 30.300 0.033 0.000 1.091 459 R HN 0.203 nan 8.270 nan 0.000 0.540 460 V N 1.448 121.389 119.914 0.044 0.000 2.448 460 V HA 0.346 4.468 4.120 0.002 0.000 0.295 460 V C -0.526 175.585 176.094 0.028 0.000 1.025 460 V CA -0.845 61.477 62.300 0.036 0.000 0.859 460 V CB 1.449 33.306 31.823 0.057 0.000 0.988 460 V HN 0.556 nan 8.190 nan 0.000 0.431 461 K N 3.565 123.971 120.400 0.011 0.000 2.394 461 K HA 0.591 4.912 4.320 0.002 0.000 0.260 461 K C -0.945 175.645 176.600 -0.015 0.000 0.967 461 K CA -0.408 55.882 56.287 0.005 0.000 0.855 461 K CB 1.603 34.103 32.500 0.000 0.000 1.101 461 K HN 0.534 nan 8.250 nan 0.000 0.433 462 V N 6.452 126.355 119.914 -0.019 0.000 2.521 462 V HA 0.250 4.371 4.120 0.002 0.000 0.286 462 V C 0.250 176.294 176.094 -0.083 0.000 1.034 462 V CA -0.178 62.070 62.300 -0.087 0.000 1.045 462 V CB -0.292 31.432 31.823 -0.165 0.000 0.974 462 V HN 0.683 nan 8.190 nan 0.000 0.480 463 I N 4.188 124.701 120.570 -0.095 0.000 3.264 463 I HA 0.795 4.967 4.170 0.002 0.000 0.315 463 I C -2.731 173.363 176.117 -0.039 0.000 1.154 463 I CA -2.651 58.620 61.300 -0.048 0.000 0.962 463 I CB 1.737 39.722 38.000 -0.025 0.000 1.265 463 I HN 0.346 nan 8.210 nan 0.000 0.463 464 P HA 0.351 nan 4.420 nan 0.000 0.278 464 P C -1.489 175.958 177.300 0.244 0.000 1.266 464 P CA -0.083 63.063 63.100 0.076 0.000 0.807 464 P CB 0.329 32.123 31.700 0.157 0.000 1.094 465 Y N -2.134 118.112 120.300 -0.090 0.000 2.526 465 Y HA -0.205 4.347 4.550 0.005 0.000 0.022 465 Y C 1.210 177.040 175.900 -0.116 0.000 1.721 465 Y CA 0.859 58.906 58.100 -0.089 0.000 1.405 465 Y CB -2.091 36.323 38.460 -0.077 0.000 2.052 465 Y HN 0.414 nan 8.280 nan 0.000 0.257 466 S N -1.504 114.210 115.700 0.023 0.000 2.614 466 S HA 0.235 4.706 4.470 0.002 0.000 0.230 466 S C 0.354 174.891 174.600 -0.106 0.000 0.952 466 S CA -0.015 58.138 58.200 -0.078 0.000 0.949 466 S CB -0.251 62.898 63.200 -0.086 0.000 0.786 466 S HN 0.844 nan 8.310 nan 0.000 0.478 467 T N -0.169 114.356 114.554 -0.049 0.000 2.889 467 T HA 0.567 4.919 4.350 0.002 0.000 0.291 467 T C -0.340 174.323 174.700 -0.062 0.000 0.995 467 T CA -0.710 61.371 62.100 -0.032 0.000 1.092 467 T CB 0.184 69.049 68.868 -0.005 0.000 0.954 467 T HN 0.183 nan 8.240 nan 0.000 0.506 468 F N 2.699 122.648 119.950 -0.002 0.000 2.472 468 F HA 0.304 4.834 4.527 0.004 0.000 0.364 468 F C 1.522 177.287 175.800 -0.058 0.000 1.090 468 F CA -0.657 57.328 58.000 -0.025 0.000 1.188 468 F CB 0.685 39.735 39.000 0.083 0.000 1.105 468 F HN 0.354 nan 8.300 nan 0.000 0.536 469 R N 5.548 126.100 120.500 0.087 0.000 2.532 469 R HA 0.773 5.114 4.340 0.002 0.000 0.295 469 R C -1.326 174.945 176.300 -0.049 0.000 0.968 469 R CA -1.036 55.051 56.100 -0.022 0.000 0.916 469 R CB 1.607 31.865 30.300 -0.069 0.000 1.124 469 R HN 0.528 nan 8.270 nan 0.000 0.463 470 L N -0.913 120.303 121.223 -0.012 0.000 2.469 470 L HA 0.497 4.838 4.340 0.002 0.000 0.256 470 L C -0.555 176.369 176.870 0.091 0.000 1.006 470 L CA -1.211 53.647 54.840 0.029 0.000 0.832 470 L CB 1.203 43.301 42.059 0.065 0.000 1.421 470 L HN 0.404 nan 8.230 nan 0.000 0.410 471 N N 1.458 120.217 118.700 0.099 0.000 2.420 471 N HA 0.193 4.935 4.740 0.002 0.000 0.262 471 N C 0.881 176.471 175.510 0.134 0.000 1.144 471 N CA 0.015 53.117 53.050 0.087 0.000 0.952 471 N CB 0.888 39.406 38.487 0.052 0.000 1.081 471 N HN 0.866 nan 8.380 nan 0.000 0.480 472 L N 2.959 124.285 121.223 0.171 0.000 2.125 472 L HA -0.364 3.978 4.340 0.002 0.000 0.234 472 L C 2.044 178.975 176.870 0.103 0.000 1.110 472 L CA 1.972 56.932 54.840 0.199 0.000 0.832 472 L CB -0.890 41.263 42.059 0.155 0.000 0.922 472 L HN 0.515 nan 8.230 nan 0.000 0.449 473 S N -1.530 114.191 115.700 0.034 0.000 2.607 473 S HA 0.014 4.485 4.470 0.002 0.000 0.224 473 S C 1.231 175.739 174.600 -0.153 0.000 0.969 473 S CA 0.248 58.409 58.200 -0.066 0.000 0.927 473 S CB 0.194 63.346 63.200 -0.079 0.000 0.772 473 S HN 0.246 nan 8.310 nan 0.000 0.533 474 V N 1.653 121.556 119.914 -0.018 0.000 3.415 474 V HA 0.063 4.184 4.120 0.002 0.000 0.325 474 V C 1.496 177.723 176.094 0.222 0.000 1.313 474 V CA 0.624 62.983 62.300 0.098 0.000 1.228 474 V CB -0.688 31.310 31.823 0.291 0.000 1.131 474 V HN 0.425 nan 8.190 nan 0.000 0.433 475 T N 0.059 114.670 114.554 0.095 0.000 2.623 475 T HA -0.129 4.223 4.350 0.002 0.000 0.254 475 T C 2.064 176.772 174.700 0.014 0.000 1.075 475 T CA 1.936 64.066 62.100 0.051 0.000 1.177 475 T CB -0.128 68.717 68.868 -0.039 0.000 0.869 475 T HN 0.580 nan 8.240 nan 0.000 0.403 476 S N 2.055 117.730 115.700 -0.042 0.000 2.380 476 S HA -0.125 4.346 4.470 0.002 0.000 0.229 476 S C -0.382 174.152 174.600 -0.111 0.000 1.050 476 S CA 1.952 60.110 58.200 -0.070 0.000 1.100 476 S CB -1.320 61.834 63.200 -0.077 0.000 0.984 476 S HN 0.556 nan 8.310 nan 0.000 0.434 477 P HA 0.002 nan 4.420 nan 0.000 0.233 477 P C 0.455 177.554 177.300 -0.335 0.000 1.167 477 P CA 0.983 63.859 63.100 -0.373 0.000 0.770 477 P CB -0.136 31.265 31.700 -0.498 0.000 0.837 478 Y N -0.698 119.554 120.300 -0.080 0.000 2.476 478 Y HA 0.136 4.688 4.550 0.003 0.000 0.283 478 Y C 1.022 176.885 175.900 -0.061 0.000 1.109 478 Y CA -0.015 58.046 58.100 -0.066 0.000 1.246 478 Y CB -0.187 38.227 38.460 -0.077 0.000 1.068 478 Y HN -0.057 nan 8.280 nan 0.000 0.552 479 N N 0.767 119.515 118.700 0.080 0.000 2.726 479 N HA -0.180 4.562 4.740 0.002 0.000 0.253 479 N C -1.266 174.233 175.510 -0.018 0.000 1.059 479 N CA 0.745 53.804 53.050 0.015 0.000 0.701 479 N CB -1.091 37.408 38.487 0.020 0.000 0.899 479 N HN 0.347 nan 8.380 nan 0.000 0.548 480 A N 1.256 124.044 122.820 -0.054 0.000 2.357 480 A HA 0.567 4.888 4.320 0.002 0.000 0.295 480 A C -0.024 177.375 177.584 -0.308 0.000 1.121 480 A CA -0.391 51.570 52.037 -0.127 0.000 0.742 480 A CB 0.849 19.790 19.000 -0.097 0.000 1.181 480 A HN 0.465 nan 8.150 nan 0.000 0.454 481 D N 0.839 121.059 120.400 -0.300 0.000 2.425 481 D HA 0.349 4.990 4.640 0.002 0.000 0.274 481 D C 0.034 175.990 176.300 -0.573 0.000 1.242 481 D CA -0.262 53.436 54.000 -0.504 0.000 1.060 481 D CB 0.046 40.696 40.800 -0.251 0.000 1.112 481 D HN 0.375 nan 8.370 nan 0.000 0.561 482 F N -0.852 119.104 119.950 0.010 0.000 2.654 482 F HA 0.132 4.661 4.527 0.003 0.000 0.303 482 F C 1.400 177.205 175.800 0.007 0.000 1.099 482 F CA -0.602 57.404 58.000 0.010 0.000 1.270 482 F CB 0.111 39.117 39.000 0.010 0.000 1.024 482 F HN 0.159 nan 8.300 nan 0.000 0.548 483 D N 0.349 120.805 120.400 0.094 0.000 2.354 483 D HA -0.099 4.542 4.640 0.002 0.000 0.216 483 D C 1.717 178.055 176.300 0.064 0.000 0.970 483 D CA 1.445 55.483 54.000 0.065 0.000 0.905 483 D CB -0.085 40.728 40.800 0.021 0.000 0.903 483 D HN 0.422 nan 8.370 nan 0.000 0.508 484 G N 0.445 109.292 108.800 0.078 0.000 2.789 484 G HA2 -0.138 3.823 3.960 0.002 0.000 0.218 484 G HA3 -0.138 3.823 3.960 0.002 0.000 0.218 484 G C -0.803 174.127 174.900 0.050 0.000 0.980 484 G CA -0.160 44.978 45.100 0.064 0.000 0.848 484 G HN 0.320 nan 8.290 nan 0.000 0.591 485 D N 1.098 121.523 120.400 0.042 0.000 2.414 485 D HA 0.447 5.088 4.640 0.002 0.000 0.242 485 D C 0.537 176.856 176.300 0.033 0.000 1.129 485 D CA 0.175 54.184 54.000 0.016 0.000 0.885 485 D CB 1.254 42.044 40.800 -0.017 0.000 1.198 485 D HN 0.393 nan 8.370 nan 0.000 0.437 486 E N 0.260 120.465 120.200 0.008 0.000 2.280 486 E HA 0.564 4.916 4.350 0.002 0.000 0.261 486 E C -0.399 176.166 176.600 -0.059 0.000 1.088 486 E CA -0.617 55.792 56.400 0.017 0.000 0.915 486 E CB 0.934 30.641 29.700 0.012 0.000 1.141 486 E HN 0.357 nan 8.360 nan 0.000 0.433 487 M N 1.119 120.666 119.600 -0.088 0.000 2.569 487 M HA 0.354 4.835 4.480 0.002 0.000 0.279 487 M C -1.370 174.706 176.300 -0.375 0.000 1.253 487 M CA -0.953 54.135 55.300 -0.353 0.000 0.867 487 M CB 2.145 34.356 32.600 -0.649 0.000 1.727 487 M HN 0.378 nan 8.290 nan 0.000 0.467 488 N N 1.737 120.139 118.700 -0.496 0.000 2.417 488 N HA 0.773 5.514 4.740 0.002 0.000 0.300 488 N C -1.668 173.662 175.510 -0.300 0.000 1.102 488 N CA -0.418 52.448 53.050 -0.306 0.000 0.886 488 N CB 2.225 40.629 38.487 -0.139 0.000 1.203 488 N HN 0.600 nan 8.380 nan 0.000 0.496 489 L N 1.475 122.614 121.223 -0.140 0.000 2.436 489 L HA 0.468 4.809 4.340 0.002 0.000 0.268 489 L C -1.175 175.661 176.870 -0.056 0.000 0.974 489 L CA -0.554 54.318 54.840 0.053 0.000 0.826 489 L CB 1.483 43.637 42.059 0.158 0.000 1.291 489 L HN 0.541 nan 8.230 nan 0.000 0.406 490 H N 3.580 122.728 119.070 0.130 0.000 2.621 490 H HA 0.603 5.161 4.556 0.003 0.000 0.360 490 H C -1.195 174.221 175.328 0.146 0.000 1.163 490 H CA -0.853 55.275 56.048 0.134 0.000 1.194 490 H CB 2.594 32.416 29.762 0.100 0.000 1.649 490 H HN 0.356 nan 8.280 nan 0.000 0.532 491 V N 4.412 124.481 119.914 0.259 0.000 2.407 491 V HA 0.188 4.310 4.120 0.002 0.000 0.291 491 V C -2.047 174.109 176.094 0.103 0.000 1.018 491 V CA -1.718 60.696 62.300 0.190 0.000 0.842 491 V CB 1.629 33.571 31.823 0.197 0.000 0.996 491 V HN 0.616 nan 8.190 nan 0.000 0.426 492 P HA 0.140 nan 4.420 nan 0.000 0.269 492 P C -0.421 176.809 177.300 -0.117 0.000 1.215 492 P CA 0.041 63.157 63.100 0.028 0.000 0.780 492 P CB 1.022 32.781 31.700 0.099 0.000 0.898 493 Q N -0.748 118.916 119.800 -0.226 0.000 2.245 493 Q HA 0.137 4.479 4.340 0.002 0.000 0.250 493 Q C 0.280 176.018 176.000 -0.436 0.000 0.830 493 Q CA 0.453 55.958 55.803 -0.496 0.000 0.950 493 Q CB 0.312 28.706 28.738 -0.573 0.000 1.124 493 Q HN 0.464 nan 8.270 nan 0.000 0.502 494 S N 1.018 116.614 115.700 -0.173 0.000 2.593 494 S HA 0.305 4.776 4.470 0.002 0.000 0.297 494 S C 0.938 175.587 174.600 0.082 0.000 1.112 494 S CA -0.715 57.449 58.200 -0.059 0.000 1.043 494 S CB 2.133 65.313 63.200 -0.033 0.000 1.054 494 S HN -0.059 nan 8.310 nan 0.000 0.516 495 E N 2.065 122.346 120.200 0.135 0.000 2.086 495 E HA -0.237 4.115 4.350 0.002 0.000 0.200 495 E C 1.899 178.553 176.600 0.088 0.000 1.012 495 E CA 1.969 58.456 56.400 0.145 0.000 0.812 495 E CB -0.267 29.496 29.700 0.105 0.000 0.743 495 E HN 0.905 nan 8.360 nan 0.000 0.453 496 E N -0.195 120.042 120.200 0.061 0.000 2.106 496 E HA -0.102 4.249 4.350 0.002 0.000 0.192 496 E C 2.021 178.649 176.600 0.046 0.000 0.984 496 E CA 1.332 57.761 56.400 0.049 0.000 0.806 496 E CB -0.496 29.228 29.700 0.040 0.000 0.750 496 E HN 0.048 nan 8.360 nan 0.000 0.458 497 T N 1.597 116.176 114.554 0.042 0.000 2.720 497 T HA -0.165 4.186 4.350 0.002 0.000 0.268 497 T C 1.809 176.544 174.700 0.058 0.000 1.037 497 T CA 1.731 63.852 62.100 0.036 0.000 1.144 497 T CB -0.210 68.666 68.868 0.013 0.000 0.864 497 T HN 0.243 nan 8.240 nan 0.000 0.444 498 R N 1.698 122.250 120.500 0.088 0.000 2.127 498 R HA -0.053 4.288 4.340 0.002 0.000 0.228 498 R C 2.892 179.225 176.300 0.055 0.000 1.125 498 R CA 1.412 57.563 56.100 0.086 0.000 0.904 498 R CB -1.113 29.241 30.300 0.090 0.000 0.831 498 R HN 0.358 nan 8.270 nan 0.000 0.431 499 A N 1.568 124.416 122.820 0.047 0.000 1.906 499 A HA -0.362 3.959 4.320 0.002 0.000 0.222 499 A C 2.152 179.757 177.584 0.036 0.000 1.282 499 A CA 2.357 54.416 52.037 0.036 0.000 0.675 499 A CB -0.913 18.111 19.000 0.039 0.000 0.838 499 A HN 0.572 nan 8.150 nan 0.000 0.469 500 E N -0.923 119.300 120.200 0.038 0.000 2.209 500 E HA -0.135 4.217 4.350 0.002 0.000 0.196 500 E C 1.865 178.481 176.600 0.027 0.000 0.993 500 E CA 1.056 57.475 56.400 0.032 0.000 0.819 500 E CB -0.171 29.545 29.700 0.027 0.000 0.745 500 E HN 0.695 nan 8.360 nan 0.000 0.477 501 L N -0.296 120.947 121.223 0.035 0.000 2.127 501 L HA -0.066 4.276 4.340 0.002 0.000 0.203 501 L C 2.319 179.205 176.870 0.027 0.000 1.080 501 L CA 1.096 55.959 54.840 0.038 0.000 0.768 501 L CB -0.054 42.041 42.059 0.060 0.000 0.924 501 L HN 0.121 nan 8.230 nan 0.000 0.444 502 S N -1.756 113.960 115.700 0.026 0.000 2.603 502 S HA 0.010 4.481 4.470 0.002 0.000 0.220 502 S C 1.503 176.107 174.600 0.005 0.000 0.967 502 S CA 0.095 58.304 58.200 0.014 0.000 0.920 502 S CB 0.139 63.348 63.200 0.015 0.000 0.773 502 S HN 0.339 nan 8.310 nan 0.000 0.529 503 Q N -0.226 119.579 119.800 0.009 0.000 2.322 503 Q HA 0.438 4.779 4.340 0.002 0.000 0.250 503 Q C 1.087 177.086 176.000 -0.002 0.000 0.853 503 Q CA 0.333 56.140 55.803 0.007 0.000 0.951 503 Q CB 0.039 28.789 28.738 0.021 0.000 1.114 503 Q HN 0.481 nan 8.270 nan 0.000 0.523 504 L N -1.401 119.821 121.223 -0.002 0.000 2.600 504 L HA 0.137 4.479 4.340 0.002 0.000 0.213 504 L C 1.772 178.626 176.870 -0.026 0.000 1.045 504 L CA 0.726 55.557 54.840 -0.015 0.000 0.863 504 L CB -0.176 41.880 42.059 -0.004 0.000 1.189 504 L HN 0.017 nan 8.230 nan 0.000 0.484 505 C N 0.445 119.737 119.300 -0.013 0.000 2.673 505 C HA 0.509 4.970 4.460 0.002 0.000 0.264 505 C C 1.478 176.454 174.990 -0.024 0.000 1.304 505 C CA -0.866 58.145 59.018 -0.012 0.000 1.727 505 C CB -1.104 26.647 27.740 0.018 0.000 1.932 505 C HN 0.356 nan 8.230 nan 0.000 0.563 506 A N 1.100 123.901 122.820 -0.032 0.000 2.546 506 A HA 0.322 4.644 4.320 0.002 0.000 0.243 506 A C 1.428 178.949 177.584 -0.105 0.000 1.063 506 A CA 0.212 52.214 52.037 -0.059 0.000 0.757 506 A CB 0.247 19.220 19.000 -0.045 0.000 0.991 506 A HN 0.237 nan 8.150 nan 0.000 0.503 507 V N 4.452 124.258 119.914 -0.180 0.000 2.277 507 V HA -0.235 3.887 4.120 0.002 0.000 0.253 507 V C -0.246 175.746 176.094 -0.171 0.000 1.067 507 V CA 2.946 65.109 62.300 -0.229 0.000 1.047 507 V CB -1.409 30.170 31.823 -0.407 0.000 0.649 507 V HN 0.833 nan 8.190 nan 0.000 0.447 508 P HA -0.146 nan 4.420 nan 0.000 0.215 508 P C 1.560 178.811 177.300 -0.083 0.000 1.157 508 P CA 1.330 64.377 63.100 -0.088 0.000 0.868 508 P CB -0.182 31.485 31.700 -0.054 0.000 0.788 509 L N -0.903 120.270 121.223 -0.083 0.000 2.814 509 L HA -0.125 4.216 4.340 0.002 0.000 0.248 509 L C 1.700 178.504 176.870 -0.110 0.000 1.169 509 L CA 0.947 55.734 54.840 -0.088 0.000 0.872 509 L CB -0.856 41.158 42.059 -0.075 0.000 1.029 509 L HN 0.044 nan 8.230 nan 0.000 0.452 510 Q N -1.099 118.625 119.800 -0.125 0.000 2.214 510 Q HA 0.244 4.585 4.340 0.002 0.000 0.229 510 Q C 2.123 178.031 176.000 -0.154 0.000 0.835 510 Q CA 0.187 55.901 55.803 -0.148 0.000 0.953 510 Q CB 0.682 29.314 28.738 -0.175 0.000 1.131 510 Q HN 0.550 nan 8.270 nan 0.000 0.501 511 I N 0.166 120.661 120.570 -0.125 0.000 2.423 511 I HA -0.127 4.044 4.170 0.002 0.000 0.254 511 I C 0.911 176.966 176.117 -0.103 0.000 1.151 511 I CA 0.924 62.169 61.300 -0.093 0.000 1.421 511 I CB 0.270 38.272 38.000 0.002 0.000 1.079 511 I HN -0.135 nan 8.210 nan 0.000 0.431 512 V N 1.042 120.874 119.914 -0.138 0.000 2.349 512 V HA 0.290 4.411 4.120 0.002 0.000 0.284 512 V C -0.044 175.937 176.094 -0.189 0.000 1.014 512 V CA -0.460 61.720 62.300 -0.200 0.000 0.826 512 V CB 1.568 33.253 31.823 -0.229 0.000 1.009 512 V HN 0.229 nan 8.190 nan 0.000 0.431 513 S N 8.450 124.042 115.700 -0.179 0.000 2.525 513 S HA 0.573 5.045 4.470 0.002 0.000 0.278 513 S C -1.392 173.158 174.600 -0.083 0.000 1.234 513 S CA -1.095 57.023 58.200 -0.137 0.000 1.058 513 S CB 1.774 64.884 63.200 -0.150 0.000 0.983 513 S HN 0.590 nan 8.310 nan 0.000 0.495 514 P HA -0.259 nan 4.420 nan 0.000 0.209 514 P C 1.527 178.906 177.300 0.131 0.000 1.167 514 P CA 1.562 64.704 63.100 0.069 0.000 0.941 514 P CB -0.260 31.507 31.700 0.112 0.000 0.787 515 Q N -0.620 119.244 119.800 0.106 0.000 2.114 515 Q HA -0.254 4.088 4.340 0.002 0.000 0.218 515 Q C 1.346 177.349 176.000 0.005 0.000 1.064 515 Q CA 3.174 59.010 55.803 0.054 0.000 0.926 515 Q CB -0.756 27.965 28.738 -0.029 0.000 1.067 515 Q HN 0.171 nan 8.270 nan 0.000 0.439 516 S N 0.168 115.805 115.700 -0.106 0.000 2.602 516 S HA 0.093 4.564 4.470 0.002 0.000 0.240 516 S C -0.265 174.215 174.600 -0.200 0.000 0.992 516 S CA 0.292 58.337 58.200 -0.259 0.000 0.971 516 S CB 0.031 63.113 63.200 -0.197 0.000 0.855 516 S HN 0.690 nan 8.310 nan 0.000 0.481 517 N N 2.150 120.790 118.700 -0.100 0.000 2.666 517 N HA -0.305 4.437 4.740 0.002 0.000 0.248 517 N C -0.282 175.199 175.510 -0.047 0.000 1.118 517 N CA 1.740 54.776 53.050 -0.024 0.000 0.722 517 N CB -1.754 36.774 38.487 0.067 0.000 1.050 517 N HN 0.725 nan 8.380 nan 0.000 0.550 518 K N -2.778 117.516 120.400 -0.178 0.000 2.439 518 K HA 0.638 4.960 4.320 0.002 0.000 0.260 518 K C -3.269 173.103 176.600 -0.379 0.000 1.032 518 K CA -2.058 53.997 56.287 -0.386 0.000 0.882 518 K CB 2.412 34.828 32.500 -0.139 0.000 1.420 518 K HN -0.111 nan 8.250 nan 0.000 0.455 519 P HA 0.067 nan 4.420 nan 0.000 0.274 519 P C 0.471 177.687 177.300 -0.140 0.000 1.256 519 P CA -0.413 62.552 63.100 -0.225 0.000 0.795 519 P CB 0.824 32.440 31.700 -0.139 0.000 1.038 520 C N -1.179 118.047 119.300 -0.122 0.000 3.757 520 C HA 0.409 4.870 4.460 0.002 0.000 0.358 520 C C 0.704 175.627 174.990 -0.111 0.000 1.484 520 C CA -0.375 58.565 59.018 -0.131 0.000 1.862 520 C CB -0.736 26.883 27.740 -0.201 0.000 2.654 520 C HN 0.344 nan 8.230 nan 0.000 0.699 521 M N 2.191 121.745 119.600 -0.078 0.000 2.363 521 M HA 0.650 5.131 4.480 0.002 0.000 0.343 521 M C 0.263 176.648 176.300 0.142 0.000 1.165 521 M CA 0.351 55.597 55.300 -0.089 0.000 1.046 521 M CB 1.307 33.712 32.600 -0.325 0.000 1.648 521 M HN 0.427 nan 8.290 nan 0.000 0.452 522 G N 1.822 110.719 108.800 0.162 0.000 3.135 522 G HA2 0.766 4.727 3.960 0.002 0.000 0.278 522 G HA3 0.766 4.727 3.960 0.002 0.000 0.278 522 G C -1.606 173.476 174.900 0.305 0.000 1.302 522 G CA -0.586 44.666 45.100 0.254 0.000 0.880 522 G HN 0.512 nan 8.290 nan 0.000 0.574 523 I N 0.773 121.433 120.570 0.149 0.000 2.382 523 I HA 0.468 4.639 4.170 0.002 0.000 0.285 523 I C -0.408 175.739 176.117 0.051 0.000 1.007 523 I CA -0.481 60.880 61.300 0.101 0.000 1.142 523 I CB 1.640 39.663 38.000 0.038 0.000 1.289 523 I HN 0.160 nan 8.210 nan 0.000 0.453 524 V N 6.183 126.129 119.914 0.053 0.000 2.656 524 V HA 0.582 4.704 4.120 0.002 0.000 0.307 524 V C 0.147 176.257 176.094 0.026 0.000 1.051 524 V CA -0.699 61.621 62.300 0.034 0.000 0.893 524 V CB 1.399 33.244 31.823 0.037 0.000 0.999 524 V HN 0.828 nan 8.190 nan 0.000 0.426 525 Q N 1.168 120.976 119.800 0.013 0.000 0.968 525 Q HA -0.298 4.044 4.340 0.002 0.000 0.349 525 Q C 0.879 176.874 176.000 -0.008 0.000 1.042 525 Q CA 1.344 57.155 55.803 0.012 0.000 0.517 525 Q CB -0.867 27.892 28.738 0.035 0.000 5.043 525 Q HN 0.939 nan 8.270 nan 0.000 0.448 526 D N 0.049 120.447 120.400 -0.004 0.000 2.984 526 D HA -0.259 4.382 4.640 0.002 0.000 0.266 526 D C 1.823 178.093 176.300 -0.050 0.000 1.083 526 D CA 3.368 57.347 54.000 -0.035 0.000 0.985 526 D CB -0.984 39.806 40.800 -0.017 0.000 1.137 526 D HN 0.745 nan 8.370 nan 0.000 0.495 527 T N -0.200 114.339 114.554 -0.025 0.000 2.714 527 T HA -0.262 4.090 4.350 0.002 0.000 0.268 527 T C 1.956 176.636 174.700 -0.033 0.000 1.036 527 T CA 1.694 63.781 62.100 -0.022 0.000 1.148 527 T CB -0.547 68.318 68.868 -0.004 0.000 0.856 527 T HN 0.137 nan 8.240 nan 0.000 0.462 528 L N 1.016 122.219 121.223 -0.033 0.000 2.023 528 L HA 0.100 4.441 4.340 0.002 0.000 0.205 528 L C 2.794 179.619 176.870 -0.075 0.000 1.073 528 L CA 1.671 56.485 54.840 -0.043 0.000 0.745 528 L CB -1.063 40.980 42.059 -0.027 0.000 0.900 528 L HN 0.556 nan 8.230 nan 0.000 0.435 529 C N -0.043 119.191 119.300 -0.110 0.000 2.430 529 C HA 0.091 4.553 4.460 0.002 0.000 0.288 529 C C 2.488 177.351 174.990 -0.211 0.000 1.448 529 C CA 0.477 59.371 59.018 -0.207 0.000 1.784 529 C CB -1.871 25.670 27.740 -0.331 0.000 1.776 529 C HN 0.656 nan 8.230 nan 0.000 0.547 530 G N 0.122 108.856 108.800 -0.111 0.000 2.497 530 G HA2 0.025 3.986 3.960 0.002 0.000 0.210 530 G HA3 0.025 3.986 3.960 0.002 0.000 0.210 530 G C 1.464 176.357 174.900 -0.010 0.000 1.177 530 G CA 0.561 45.663 45.100 0.003 0.000 0.822 530 G HN 0.533 nan 8.290 nan 0.000 0.550 531 I N 0.659 121.201 120.570 -0.048 0.000 2.657 531 I HA -0.113 4.058 4.170 0.002 0.000 0.261 531 I C 2.651 178.699 176.117 -0.114 0.000 1.212 531 I CA 0.894 62.143 61.300 -0.085 0.000 1.453 531 I CB 0.037 37.990 38.000 -0.077 0.000 1.092 531 I HN 0.176 nan 8.210 nan 0.000 0.452 532 R N 0.771 121.211 120.500 -0.100 0.000 2.048 532 R HA -0.102 4.239 4.340 0.002 0.000 0.224 532 R C 2.266 178.490 176.300 -0.127 0.000 1.163 532 R CA 0.738 56.775 56.100 -0.106 0.000 0.956 532 R CB -0.196 30.055 30.300 -0.081 0.000 0.849 532 R HN 0.141 nan 8.270 nan 0.000 0.435 533 K N 0.844 121.194 120.400 -0.082 0.000 2.077 533 K HA -0.238 4.084 4.320 0.002 0.000 0.213 533 K C 2.179 178.597 176.600 -0.304 0.000 1.051 533 K CA 1.937 58.209 56.287 -0.026 0.000 0.929 533 K CB -0.461 32.169 32.500 0.216 0.000 0.715 533 K HN 0.246 nan 8.250 nan 0.000 0.451 534 L N 0.826 121.743 121.223 -0.510 0.000 2.079 534 L HA -0.202 4.139 4.340 0.002 0.000 0.210 534 L C 2.187 178.713 176.870 -0.573 0.000 1.081 534 L CA 1.604 55.874 54.840 -0.950 0.000 0.752 534 L CB -0.237 41.437 42.059 -0.643 0.000 0.896 534 L HN 0.124 nan 8.230 nan 0.000 0.433 535 T N -0.251 114.099 114.554 -0.339 0.000 2.978 535 T HA 0.121 4.473 4.350 0.002 0.000 0.262 535 T C 0.811 175.381 174.700 -0.217 0.000 1.063 535 T CA -0.295 61.657 62.100 -0.247 0.000 1.140 535 T CB -0.190 68.572 68.868 -0.176 0.000 0.886 535 T HN 0.096 nan 8.240 nan 0.000 0.470 536 L N 2.245 123.351 121.223 -0.195 0.000 2.667 536 L HA -0.095 4.246 4.340 0.002 0.000 0.296 536 L C 1.905 178.640 176.870 -0.224 0.000 1.252 536 L CA 0.079 54.822 54.840 -0.162 0.000 0.891 536 L CB 0.293 42.278 42.059 -0.123 0.000 1.141 536 L HN 0.149 nan 8.230 nan 0.000 0.501 537 R N 1.481 121.875 120.500 -0.177 0.000 2.153 537 R HA -0.223 4.118 4.340 0.002 0.000 0.252 537 R C 1.151 177.177 176.300 -0.456 0.000 1.158 537 R CA 1.987 57.954 56.100 -0.221 0.000 0.975 537 R CB -0.187 30.059 30.300 -0.091 0.000 0.871 537 R HN 0.711 nan 8.270 nan 0.000 0.450 538 D N -0.340 119.856 120.400 -0.340 0.000 2.348 538 D HA -0.039 4.602 4.640 0.002 0.000 0.216 538 D C 0.003 176.019 176.300 -0.474 0.000 0.970 538 D CA 0.840 54.638 54.000 -0.336 0.000 0.889 538 D CB 0.101 40.837 40.800 -0.107 0.000 0.912 538 D HN 0.065 nan 8.370 nan 0.000 0.524 539 T N 1.112 115.359 114.554 -0.512 0.000 2.782 539 T HA 0.252 4.603 4.350 0.002 0.000 0.298 539 T C -0.109 174.318 174.700 -0.455 0.000 0.944 539 T CA -0.186 61.686 62.100 -0.380 0.000 1.001 539 T CB -0.310 68.323 68.868 -0.392 0.000 0.932 539 T HN -0.120 nan 8.240 nan 0.000 0.524 540 F N 3.291 123.266 119.950 0.043 0.000 2.426 540 F HA 0.515 5.043 4.527 0.002 0.000 0.348 540 F C 0.259 176.142 175.800 0.139 0.000 1.124 540 F CA -1.365 56.688 58.000 0.087 0.000 1.008 540 F CB 0.955 40.014 39.000 0.100 0.000 1.139 540 F HN 0.314 nan 8.300 nan 0.000 0.452 541 I N 2.688 123.460 120.570 0.337 0.000 2.472 541 I HA 0.239 4.410 4.170 0.002 0.000 0.290 541 I C -0.034 176.264 176.117 0.302 0.000 1.016 541 I CA -0.317 61.149 61.300 0.276 0.000 1.348 541 I CB 0.908 39.006 38.000 0.163 0.000 1.417 541 I HN 0.600 nan 8.210 nan 0.000 0.521 542 E N 4.278 124.606 120.200 0.212 0.000 2.264 542 E HA 0.380 4.732 4.350 0.002 0.000 0.260 542 E C 0.599 177.204 176.600 0.008 0.000 0.961 542 E CA -0.855 55.654 56.400 0.183 0.000 0.834 542 E CB 1.186 30.997 29.700 0.185 0.000 1.230 542 E HN 0.384 nan 8.360 nan 0.000 0.412 543 L N 1.710 122.923 121.223 -0.016 0.000 2.010 543 L HA -0.318 4.024 4.340 0.002 0.000 0.219 543 L C 1.689 178.467 176.870 -0.152 0.000 1.077 543 L CA 2.904 57.630 54.840 -0.189 0.000 0.773 543 L CB -0.895 41.160 42.059 -0.007 0.000 0.892 543 L HN 0.867 nan 8.230 nan 0.000 0.436 544 D N -1.141 119.238 120.400 -0.035 0.000 2.177 544 D HA -0.328 4.313 4.640 0.002 0.000 0.189 544 D C 1.953 178.266 176.300 0.021 0.000 1.002 544 D CA 2.147 56.148 54.000 0.001 0.000 0.845 544 D CB -0.845 39.974 40.800 0.032 0.000 0.960 544 D HN 0.606 nan 8.370 nan 0.000 0.447 545 Q N 0.213 120.056 119.800 0.072 0.000 1.975 545 Q HA -0.110 4.232 4.340 0.002 0.000 0.205 545 Q C 2.658 178.661 176.000 0.005 0.000 0.990 545 Q CA 1.756 57.663 55.803 0.173 0.000 0.845 545 Q CB -0.231 28.666 28.738 0.264 0.000 0.913 545 Q HN 0.202 nan 8.270 nan 0.000 0.420 546 V N 1.372 121.186 119.914 -0.167 0.000 2.277 546 V HA -0.358 3.763 4.120 0.002 0.000 0.255 546 V C 2.222 178.086 176.094 -0.384 0.000 1.074 546 V CA 2.066 64.114 62.300 -0.420 0.000 1.058 546 V CB -0.839 30.373 31.823 -1.018 0.000 0.656 546 V HN 0.352 nan 8.190 nan 0.000 0.449 547 L N -0.419 120.626 121.223 -0.296 0.000 2.005 547 L HA -0.135 4.206 4.340 0.002 0.000 0.207 547 L C 2.532 179.276 176.870 -0.210 0.000 1.072 547 L CA 1.724 56.417 54.840 -0.246 0.000 0.744 547 L CB -0.924 41.052 42.059 -0.138 0.000 0.895 547 L HN 0.331 nan 8.230 nan 0.000 0.433 548 N N 0.285 118.917 118.700 -0.114 0.000 2.036 548 N HA -0.205 4.536 4.740 0.002 0.000 0.195 548 N C 1.919 177.315 175.510 -0.190 0.000 1.037 548 N CA 1.795 54.769 53.050 -0.127 0.000 0.855 548 N CB -0.267 38.181 38.487 -0.065 0.000 1.033 548 N HN 0.340 nan 8.380 nan 0.000 0.423 549 M N 0.206 119.713 119.600 -0.155 0.000 2.065 549 M HA -0.165 4.316 4.480 0.002 0.000 0.259 549 M C 1.936 178.122 176.300 -0.189 0.000 1.069 549 M CA 1.164 56.396 55.300 -0.113 0.000 1.110 549 M CB -0.569 32.004 32.600 -0.045 0.000 1.328 549 M HN 0.059 nan 8.290 nan 0.000 0.405 550 L N -0.015 120.955 121.223 -0.422 0.000 1.991 550 L HA -0.285 4.056 4.340 0.002 0.000 0.221 550 L C 2.592 179.130 176.870 -0.555 0.000 1.079 550 L CA 2.211 56.522 54.840 -0.883 0.000 0.778 550 L CB -1.806 39.340 42.059 -1.522 0.000 0.893 550 L HN 0.306 nan 8.230 nan 0.000 0.437 551 Y N -1.130 118.886 120.300 -0.472 0.000 2.081 551 Y HA -0.305 4.247 4.550 0.002 0.000 0.280 551 Y C 2.586 178.437 175.900 -0.082 0.000 1.163 551 Y CA 1.290 59.295 58.100 -0.159 0.000 1.135 551 Y CB -1.129 37.217 38.460 -0.190 0.000 0.970 551 Y HN 0.187 nan 8.280 nan 0.000 0.498 552 W N 0.022 121.176 121.300 -0.244 0.000 2.292 552 W HA -0.218 4.444 4.660 0.002 0.000 0.304 552 W C 0.819 177.221 176.519 -0.195 0.000 1.228 552 W CA 1.191 58.336 57.345 -0.334 0.000 1.241 552 W CB -0.414 28.787 29.460 -0.432 0.000 1.142 552 W HN -0.269 nan 8.180 nan 0.000 0.520 553 V N 2.809 122.825 119.914 0.170 0.000 2.508 553 V HA -0.026 4.095 4.120 0.002 0.000 0.281 553 V C -0.835 175.383 176.094 0.207 0.000 1.041 553 V CA -0.720 61.672 62.300 0.153 0.000 1.016 553 V CB 1.225 33.108 31.823 0.099 0.000 0.984 553 V HN -0.093 nan 8.190 nan 0.000 0.478 554 P HA 0.079 nan 4.420 nan 0.000 0.240 554 P C 0.270 177.664 177.300 0.158 0.000 1.190 554 P CA 0.475 63.659 63.100 0.140 0.000 0.781 554 P CB 0.565 32.323 31.700 0.097 0.000 0.931 555 D N -1.892 118.611 120.400 0.171 0.000 2.395 555 D HA 0.054 4.695 4.640 0.002 0.000 0.213 555 D C 0.017 176.428 176.300 0.185 0.000 1.110 555 D CA -0.405 53.679 54.000 0.139 0.000 0.835 555 D CB -0.525 40.334 40.800 0.099 0.000 0.965 555 D HN 0.096 nan 8.370 nan 0.000 0.505 556 W N 3.550 124.887 121.300 0.062 0.000 2.347 556 W HA -0.003 4.658 4.660 0.002 0.000 0.333 556 W C 1.144 177.691 176.519 0.048 0.000 1.383 556 W CA -0.651 56.730 57.345 0.060 0.000 1.283 556 W CB 0.575 30.085 29.460 0.083 0.000 1.253 556 W HN -0.010 nan 8.180 nan 0.000 0.563 557 D N 3.639 123.813 120.400 -0.377 0.000 2.403 557 D HA -0.101 4.540 4.640 0.002 0.000 0.227 557 D C 1.706 177.514 176.300 -0.820 0.000 0.995 557 D CA 1.068 54.796 54.000 -0.453 0.000 0.928 557 D CB -0.674 39.984 40.800 -0.236 0.000 0.887 557 D HN 0.840 nan 8.370 nan 0.000 0.529 558 G N -0.666 107.022 108.800 -1.854 0.000 2.155 558 G HA2 -0.257 3.704 3.960 0.002 0.000 0.257 558 G HA3 -0.257 3.704 3.960 0.002 0.000 0.257 558 G C 0.161 174.395 174.900 -1.111 0.000 0.983 558 G CA 0.367 44.289 45.100 -1.963 0.000 0.676 558 G HN 0.456 nan 8.290 nan 0.000 0.528 559 V N 3.318 122.815 119.914 -0.694 0.000 2.257 559 V HA 0.357 4.479 4.120 0.002 0.000 0.269 559 V C 1.060 177.358 176.094 0.340 0.000 1.040 559 V CA -1.358 60.897 62.300 -0.076 0.000 0.813 559 V CB 0.892 32.679 31.823 -0.060 0.000 1.065 559 V HN 0.297 nan 8.190 nan 0.000 0.457 560 I N 6.800 127.680 120.570 0.517 0.000 3.017 560 I HA 0.019 4.190 4.170 0.002 0.000 0.310 560 I C -1.583 174.760 176.117 0.377 0.000 1.220 560 I CA -0.309 61.295 61.300 0.507 0.000 1.450 560 I CB -0.093 38.134 38.000 0.380 0.000 1.317 560 I HN 0.425 nan 8.210 nan 0.000 0.570 561 P HA 0.305 nan 4.420 nan 0.000 0.290 561 P C -0.836 176.653 177.300 0.316 0.000 1.283 561 P CA -0.525 62.769 63.100 0.323 0.000 0.869 561 P CB 0.940 32.826 31.700 0.310 0.000 1.100 562 T N 2.869 117.494 114.554 0.118 0.000 2.919 562 T HA 0.316 4.668 4.350 0.002 0.000 0.302 562 T C -2.141 172.389 174.700 -0.283 0.000 1.031 562 T CA -0.764 61.314 62.100 -0.036 0.000 1.127 562 T CB -0.464 68.386 68.868 -0.029 0.000 0.952 562 T HN 0.363 nan 8.240 nan 0.000 0.540 563 P HA 0.405 nan 4.420 nan 0.000 0.281 563 P C 0.375 177.345 177.300 -0.551 0.000 1.249 563 P CA -0.655 61.762 63.100 -1.137 0.000 0.810 563 P CB 0.690 31.384 31.700 -1.677 0.000 1.008 564 A N 2.918 125.492 122.820 -0.411 0.000 1.873 564 A HA -0.022 4.299 4.320 0.002 0.000 0.215 564 A C 1.075 178.523 177.584 -0.227 0.000 1.186 564 A CA 1.162 53.080 52.037 -0.199 0.000 0.616 564 A CB -0.871 18.098 19.000 -0.052 0.000 0.823 564 A HN 0.541 nan 8.150 nan 0.000 0.442 565 I N -0.375 120.011 120.570 -0.306 0.000 2.353 565 I HA 0.311 4.482 4.170 0.002 0.000 0.293 565 I C 0.558 176.502 176.117 -0.289 0.000 0.992 565 I CA 0.038 61.165 61.300 -0.290 0.000 1.268 565 I CB 1.682 39.455 38.000 -0.378 0.000 1.387 565 I HN 0.238 nan 8.210 nan 0.000 0.478 566 I N 5.564 126.010 120.570 -0.206 0.000 4.592 566 I HA -0.008 4.163 4.170 0.002 0.000 0.329 566 I C 1.530 177.583 176.117 -0.107 0.000 1.309 566 I CA -0.114 61.087 61.300 -0.165 0.000 1.243 566 I CB 0.164 38.078 38.000 -0.144 0.000 1.241 566 I HN 0.562 nan 8.210 nan 0.000 0.434 567 K N 2.103 122.442 120.400 -0.101 0.000 2.485 567 K HA -0.053 4.269 4.320 0.002 0.000 0.269 567 K C -1.493 175.074 176.600 -0.056 0.000 1.112 567 K CA -0.280 55.964 56.287 -0.073 0.000 0.842 567 K CB -1.751 30.703 32.500 -0.077 0.000 1.049 567 K HN -0.217 nan 8.250 nan 0.000 0.496 568 P HA -0.183 nan 4.420 nan 0.000 0.220 568 P C -0.565 176.724 177.300 -0.018 0.000 1.146 568 P CA 1.737 64.822 63.100 -0.026 0.000 0.816 568 P CB 0.019 31.705 31.700 -0.024 0.000 0.764 569 K N -2.030 118.352 120.400 -0.029 0.000 2.583 569 K HA 0.289 4.610 4.320 0.002 0.000 0.260 569 K C -3.127 173.458 176.600 -0.024 0.000 0.931 569 K CA -1.849 54.434 56.287 -0.006 0.000 0.849 569 K CB 1.891 34.395 32.500 0.007 0.000 1.347 569 K HN -0.319 nan 8.250 nan 0.000 0.425 570 P HA 0.316 nan 4.420 nan 0.000 0.291 570 P C -1.265 176.121 177.300 0.144 0.000 1.340 570 P CA -0.514 62.573 63.100 -0.022 0.000 0.799 570 P CB 0.742 32.452 31.700 0.016 0.000 0.917 571 L N 3.500 124.727 121.223 0.007 0.000 2.301 571 L HA 0.629 4.970 4.340 0.002 0.000 0.264 571 L C -0.089 176.918 176.870 0.227 0.000 1.016 571 L CA -0.497 54.504 54.840 0.269 0.000 0.821 571 L CB 1.440 43.508 42.059 0.015 0.000 1.346 571 L HN 0.382 nan 8.230 nan 0.000 0.429 572 W N -0.355 120.996 121.300 0.085 0.000 2.799 572 W HA 0.552 5.214 4.660 0.003 0.000 0.349 572 W C -0.028 176.659 176.519 0.280 0.000 1.100 572 W CA -0.743 56.675 57.345 0.123 0.000 1.174 572 W CB 2.132 31.640 29.460 0.081 0.000 1.427 572 W HN 0.378 nan 8.180 nan 0.000 0.547 573 S N 0.274 116.247 115.700 0.455 0.000 2.632 573 S HA 0.371 4.842 4.470 0.002 0.000 0.271 573 S C 1.134 175.791 174.600 0.095 0.000 1.260 573 S CA 0.400 58.785 58.200 0.308 0.000 1.010 573 S CB 1.216 64.531 63.200 0.192 0.000 0.965 573 S HN 0.639 nan 8.310 nan 0.000 0.534 574 G N 2.868 111.599 108.800 -0.114 0.000 2.545 574 G HA2 -0.247 3.714 3.960 0.002 0.000 0.217 574 G HA3 -0.247 3.714 3.960 0.002 0.000 0.217 574 G C 1.229 176.046 174.900 -0.138 0.000 1.218 574 G CA 1.345 46.304 45.100 -0.235 0.000 0.787 574 G HN 0.846 nan 8.290 nan 0.000 0.571 575 K N -0.014 120.317 120.400 -0.115 0.000 2.071 575 K HA -0.252 4.069 4.320 0.002 0.000 0.217 575 K C 2.592 179.185 176.600 -0.012 0.000 1.054 575 K CA 1.727 57.972 56.287 -0.069 0.000 0.937 575 K CB -0.378 32.092 32.500 -0.050 0.000 0.719 575 K HN 0.199 nan 8.250 nan 0.000 0.454 576 Q N 0.063 119.893 119.800 0.048 0.000 2.167 576 Q HA -0.263 4.078 4.340 0.002 0.000 0.218 576 Q C 2.249 178.319 176.000 0.116 0.000 1.033 576 Q CA 2.701 58.578 55.803 0.123 0.000 0.918 576 Q CB -0.388 28.499 28.738 0.249 0.000 1.019 576 Q HN 0.623 nan 8.270 nan 0.000 0.417 577 I N -3.605 117.006 120.570 0.067 0.000 3.616 577 I HA 0.007 4.178 4.170 0.002 0.000 0.296 577 I C 2.020 178.126 176.117 -0.019 0.000 1.226 577 I CA 0.150 61.466 61.300 0.026 0.000 1.394 577 I CB -0.568 37.413 38.000 -0.031 0.000 1.171 577 I HN -0.018 nan 8.210 nan 0.000 0.442 578 L N 1.692 122.889 121.223 -0.043 0.000 2.064 578 L HA -0.237 4.104 4.340 0.002 0.000 0.216 578 L C 2.415 179.264 176.870 -0.035 0.000 1.077 578 L CA 2.220 57.026 54.840 -0.057 0.000 0.766 578 L CB -1.003 41.004 42.059 -0.086 0.000 0.890 578 L HN 0.361 nan 8.230 nan 0.000 0.435 579 S N -0.945 114.745 115.700 -0.016 0.000 2.407 579 S HA -0.214 4.257 4.470 0.002 0.000 0.235 579 S C 1.973 176.585 174.600 0.021 0.000 1.036 579 S CA 1.450 59.650 58.200 0.000 0.000 1.013 579 S CB -0.829 62.385 63.200 0.024 0.000 0.820 579 S HN 0.439 nan 8.310 nan 0.000 0.476 580 V N 2.149 122.084 119.914 0.035 0.000 2.469 580 V HA -0.262 3.859 4.120 0.002 0.000 0.251 580 V C 2.684 178.813 176.094 0.058 0.000 1.064 580 V CA 1.610 63.952 62.300 0.071 0.000 1.066 580 V CB -1.501 30.349 31.823 0.044 0.000 0.667 580 V HN 0.578 nan 8.190 nan 0.000 0.461 581 A N 0.045 122.874 122.820 0.014 0.000 1.883 581 A HA -0.080 4.241 4.320 0.002 0.000 0.217 581 A C 1.268 178.848 177.584 -0.006 0.000 1.186 581 A CA 1.125 53.162 52.037 0.001 0.000 0.624 581 A CB -0.542 18.438 19.000 -0.033 0.000 0.822 581 A HN 0.530 nan 8.150 nan 0.000 0.444 582 I N 1.248 121.806 120.570 -0.020 0.000 2.471 582 I HA 0.127 4.298 4.170 0.002 0.000 0.286 582 I C -1.863 174.240 176.117 -0.024 0.000 1.079 582 I CA -1.935 59.342 61.300 -0.039 0.000 1.398 582 I CB 0.870 38.839 38.000 -0.053 0.000 1.403 582 I HN 0.135 nan 8.210 nan 0.000 0.530 583 P HA 0.024 nan 4.420 nan 0.000 0.321 583 P C -0.841 176.429 177.300 -0.049 0.000 1.338 583 P CA -0.084 62.998 63.100 -0.029 0.000 0.764 583 P CB 0.394 32.072 31.700 -0.037 0.000 1.641 584 N N -0.904 117.759 118.700 -0.062 0.000 2.314 584 N HA 0.392 5.134 4.740 0.002 0.000 0.294 584 N C 0.312 175.737 175.510 -0.142 0.000 1.029 584 N CA 0.012 53.013 53.050 -0.081 0.000 0.845 584 N CB 1.685 40.145 38.487 -0.044 0.000 1.321 584 N HN 0.719 nan 8.380 nan 0.000 0.481 585 G N 1.331 109.986 108.800 -0.242 0.000 2.136 585 G HA2 -0.215 3.746 3.960 0.002 0.000 0.242 585 G HA3 -0.215 3.746 3.960 0.002 0.000 0.242 585 G C -0.095 174.420 174.900 -0.642 0.000 0.989 585 G CA -0.395 44.445 45.100 -0.433 0.000 0.682 585 G HN 0.514 nan 8.290 nan 0.000 0.522 586 I N 2.632 122.919 120.570 -0.471 0.000 2.363 586 I HA 0.328 4.499 4.170 0.002 0.000 0.292 586 I C 0.262 176.166 176.117 -0.354 0.000 1.075 586 I CA -0.476 60.630 61.300 -0.322 0.000 1.333 586 I CB -0.071 37.829 38.000 -0.167 0.000 1.415 586 I HN 0.102 nan 8.210 nan 0.000 0.502 587 H N 6.584 125.637 119.070 -0.029 0.000 2.524 587 H HA 0.678 5.236 4.556 0.002 0.000 0.353 587 H C -0.850 174.452 175.328 -0.043 0.000 1.136 587 H CA -0.912 55.118 56.048 -0.030 0.000 1.193 587 H CB 2.846 32.601 29.762 -0.013 0.000 1.558 587 H HN 0.295 nan 8.280 nan 0.000 0.515 588 L N 1.853 123.122 121.223 0.078 0.000 2.565 588 L HA 0.265 4.607 4.340 0.002 0.000 0.261 588 L C -0.944 175.886 176.870 -0.067 0.000 0.932 588 L CA -0.198 54.635 54.840 -0.011 0.000 0.878 588 L CB 2.247 44.273 42.059 -0.056 0.000 1.333 588 L HN 0.610 nan 8.230 nan 0.000 0.409 589 Q N 2.784 122.548 119.800 -0.059 0.000 2.372 589 Q HA 0.578 4.920 4.340 0.002 0.000 0.273 589 Q C -0.549 175.392 176.000 -0.098 0.000 1.078 589 Q CA -0.451 55.295 55.803 -0.095 0.000 0.806 589 Q CB 3.268 32.031 28.738 0.041 0.000 1.332 589 Q HN 0.736 nan 8.270 nan 0.000 0.435 590 R N 1.573 121.935 120.500 -0.229 0.000 3.319 590 R HA 0.344 4.685 4.340 0.002 0.000 0.126 590 R C -0.912 175.423 176.300 0.059 0.000 1.797 590 R CA 0.128 56.166 56.100 -0.104 0.000 1.391 590 R CB 0.752 30.964 30.300 -0.147 0.000 1.312 590 R HN 0.615 nan 8.270 nan 0.000 0.455 591 F N 1.927 121.904 119.950 0.045 0.000 2.144 591 F HA -0.232 4.297 4.527 0.002 0.000 0.487 591 F C 0.014 175.837 175.800 0.038 0.000 1.250 591 F CA 0.269 58.310 58.000 0.069 0.000 1.572 591 F CB -0.666 38.373 39.000 0.064 0.000 2.498 591 F HN 0.385 nan 8.300 nan 0.000 0.729 592 D N 2.386 122.891 120.400 0.176 0.000 2.562 592 D HA 0.134 4.775 4.640 0.002 0.000 0.271 592 D C 1.521 177.884 176.300 0.104 0.000 1.198 592 D CA 0.058 54.120 54.000 0.105 0.000 1.071 592 D CB 0.156 40.994 40.800 0.064 0.000 1.011 592 D HN 0.597 nan 8.370 nan 0.000 0.327 593 E N 0.291 120.535 120.200 0.073 0.000 2.023 593 E HA 0.046 4.397 4.350 0.002 0.000 0.195 593 E C 1.381 178.024 176.600 0.072 0.000 0.964 593 E CA 0.174 56.609 56.400 0.058 0.000 0.845 593 E CB -0.489 29.231 29.700 0.034 0.000 0.813 593 E HN 0.293 nan 8.360 nan 0.000 0.476 594 G N 2.053 110.891 108.800 0.064 0.000 3.325 594 G HA2 0.008 3.969 3.960 0.002 0.000 0.242 594 G HA3 0.008 3.969 3.960 0.002 0.000 0.242 594 G C -0.386 174.571 174.900 0.094 0.000 1.120 594 G CA 0.045 45.183 45.100 0.063 0.000 1.778 594 G HN -0.000 nan 8.290 nan 0.000 0.610 595 T N 1.020 115.668 114.554 0.156 0.000 2.910 595 T HA 0.367 4.718 4.350 0.002 0.000 0.323 595 T C 0.608 175.501 174.700 0.322 0.000 1.091 595 T CA -0.399 61.860 62.100 0.265 0.000 0.960 595 T CB 0.872 69.978 68.868 0.398 0.000 1.024 595 T HN 0.252 nan 8.240 nan 0.000 0.509 596 T N 1.336 115.983 114.554 0.155 0.000 3.438 596 T HA 0.407 4.759 4.350 0.002 0.000 0.244 596 T C 1.103 175.804 174.700 0.003 0.000 1.269 596 T CA -0.707 61.446 62.100 0.088 0.000 1.371 596 T CB -0.635 68.243 68.868 0.017 0.000 1.002 596 T HN 0.550 nan 8.240 nan 0.000 0.637 597 L N -1.175 120.074 121.223 0.044 0.000 5.218 597 L HA -0.286 4.055 4.340 0.002 0.000 0.447 597 L C 1.274 177.809 176.870 -0.559 0.000 1.040 597 L CA 1.275 56.004 54.840 -0.185 0.000 1.035 597 L CB -1.139 40.917 42.059 -0.005 0.000 1.762 597 L HN 0.490 nan 8.230 nan 0.000 0.756 598 L N -0.900 120.054 121.223 -0.449 0.000 2.766 598 L HA 0.161 4.502 4.340 0.002 0.000 0.241 598 L C 1.132 177.796 176.870 -0.342 0.000 1.080 598 L CA 0.774 55.389 54.840 -0.375 0.000 0.909 598 L CB 0.619 42.575 42.059 -0.171 0.000 1.277 598 L HN 0.441 nan 8.230 nan 0.000 0.510 599 S N 0.944 116.492 115.700 -0.254 0.000 3.255 599 S HA -0.097 4.374 4.470 0.002 0.000 0.358 599 S C -1.893 172.695 174.600 -0.020 0.000 0.915 599 S CA 0.072 58.234 58.200 -0.064 0.000 1.335 599 S CB -1.605 61.638 63.200 0.072 0.000 0.938 599 S HN 0.245 nan 8.310 nan 0.000 0.550 600 P HA 0.221 nan 4.420 nan 0.000 0.269 600 P C 0.214 177.523 177.300 0.014 0.000 1.461 600 P CA 0.263 63.360 63.100 -0.005 0.000 0.809 600 P CB -0.242 31.453 31.700 -0.009 0.000 1.503 601 K N -0.500 119.918 120.400 0.030 0.000 2.533 601 K HA 0.085 4.406 4.320 0.002 0.000 0.202 601 K C -0.124 176.502 176.600 0.044 0.000 1.096 601 K CA -0.297 56.010 56.287 0.033 0.000 1.056 601 K CB 0.287 32.808 32.500 0.034 0.000 0.890 601 K HN -0.232 nan 8.250 nan 0.000 0.552 602 D N 1.630 122.068 120.400 0.064 0.000 2.751 602 D HA -0.199 4.442 4.640 0.002 0.000 0.233 602 D C -0.430 175.932 176.300 0.103 0.000 1.149 602 D CA 0.810 54.870 54.000 0.099 0.000 0.682 602 D CB -0.817 40.011 40.800 0.046 0.000 1.068 602 D HN 0.240 nan 8.370 nan 0.000 0.429 603 N N -0.306 118.472 118.700 0.129 0.000 2.327 603 N HA 0.520 5.261 4.740 0.002 0.000 0.257 603 N C 1.410 176.988 175.510 0.114 0.000 1.281 603 N CA 0.808 53.921 53.050 0.104 0.000 0.942 603 N CB 0.145 38.697 38.487 0.107 0.000 1.199 603 N HN 0.351 nan 8.380 nan 0.000 0.532 604 G N -0.195 108.626 108.800 0.036 0.000 2.578 604 G HA2 -0.213 3.748 3.960 0.002 0.000 0.284 604 G HA3 -0.213 3.748 3.960 0.002 0.000 0.284 604 G C -0.387 174.365 174.900 -0.246 0.000 1.283 604 G CA 0.902 45.958 45.100 -0.073 0.000 0.944 604 G HN 0.731 nan 8.290 nan 0.000 0.558 605 M N -1.617 117.696 119.600 -0.478 0.000 2.373 605 M HA 0.693 5.174 4.480 0.002 0.000 0.290 605 M C -2.076 173.755 176.300 -0.782 0.000 1.143 605 M CA -0.627 54.305 55.300 -0.612 0.000 0.949 605 M CB 1.855 34.254 32.600 -0.335 0.000 1.756 605 M HN 1.466 nan 8.290 nan 0.000 0.494 606 L N 6.304 126.962 121.223 -0.942 0.000 2.404 606 L HA 0.779 5.121 4.340 0.002 0.000 0.272 606 L C -1.991 174.693 176.870 -0.310 0.000 0.980 606 L CA -0.156 54.336 54.840 -0.580 0.000 0.836 606 L CB 1.646 43.389 42.059 -0.526 0.000 1.238 606 L HN 0.792 nan 8.230 nan 0.000 0.408 607 I N 6.768 127.242 120.570 -0.159 0.000 2.437 607 I HA 0.372 4.543 4.170 0.002 0.000 0.279 607 I C -0.679 175.471 176.117 0.054 0.000 1.028 607 I CA -0.368 60.892 61.300 -0.066 0.000 1.142 607 I CB 1.253 39.206 38.000 -0.079 0.000 1.266 607 I HN 0.383 nan 8.210 nan 0.000 0.461 608 I N 5.317 125.936 120.570 0.083 0.000 2.297 608 I HA 0.278 4.449 4.170 0.002 0.000 0.291 608 I C 0.528 176.771 176.117 0.209 0.000 1.033 608 I CA 0.343 61.760 61.300 0.195 0.000 1.253 608 I CB 0.248 38.311 38.000 0.106 0.000 1.396 608 I HN 0.662 nan 8.210 nan 0.000 0.476 609 D N 5.261 125.845 120.400 0.307 0.000 3.831 609 D HA -0.221 4.421 4.640 0.002 0.000 0.276 609 D C 1.513 177.792 176.300 -0.034 0.000 2.100 609 D CA 1.657 55.665 54.000 0.013 0.000 1.140 609 D CB -0.334 40.544 40.800 0.130 0.000 0.949 609 D HN 0.770 nan 8.370 nan 0.000 1.144 610 G N -0.645 108.138 108.800 -0.029 0.000 2.601 610 G HA2 -0.138 3.823 3.960 0.002 0.000 0.214 610 G HA3 -0.138 3.823 3.960 0.002 0.000 0.214 610 G C 0.547 175.448 174.900 0.002 0.000 1.132 610 G CA 1.288 46.378 45.100 -0.018 0.000 0.761 610 G HN 0.363 nan 8.290 nan 0.000 0.550 611 Q N -0.742 119.067 119.800 0.016 0.000 2.359 611 Q HA 0.582 4.923 4.340 0.002 0.000 0.275 611 Q C -0.467 175.535 176.000 0.003 0.000 1.082 611 Q CA -0.923 54.893 55.803 0.021 0.000 0.849 611 Q CB 2.495 31.259 28.738 0.044 0.000 1.377 611 Q HN 0.338 nan 8.270 nan 0.000 0.452 612 I N -0.919 119.646 120.570 -0.008 0.000 2.441 612 I HA 0.325 4.496 4.170 0.002 0.000 0.295 612 I C -0.101 176.005 176.117 -0.018 0.000 0.994 612 I CA -0.515 60.759 61.300 -0.043 0.000 1.144 612 I CB 0.886 38.840 38.000 -0.077 0.000 1.314 612 I HN 0.448 nan 8.210 nan 0.000 0.445 613 I N 5.580 126.130 120.570 -0.034 0.000 2.685 613 I HA 0.274 4.445 4.170 0.002 0.000 0.251 613 I C 0.378 176.592 176.117 0.162 0.000 1.102 613 I CA 0.985 62.325 61.300 0.067 0.000 1.442 613 I CB -0.716 37.357 38.000 0.122 0.000 1.194 613 I HN 0.736 nan 8.210 nan 0.000 0.448 614 F N -0.154 119.768 119.950 -0.048 0.000 2.693 614 F HA 0.720 5.249 4.527 0.002 0.000 0.309 614 F C -0.260 175.496 175.800 -0.073 0.000 1.129 614 F CA -0.773 57.195 58.000 -0.053 0.000 0.948 614 F CB 1.006 39.977 39.000 -0.047 0.000 1.315 614 F HN 0.184 nan 8.300 nan 0.000 0.447 615 G N 0.865 109.712 108.800 0.078 0.000 2.692 615 G HA2 0.169 4.131 3.960 0.002 0.000 0.686 615 G HA3 0.169 4.131 3.960 0.002 0.000 0.686 615 G C -1.366 173.475 174.900 -0.098 0.000 1.243 615 G CA -0.717 44.366 45.100 -0.029 0.000 0.782 615 G HN 1.316 nan 8.290 nan 0.000 0.625 616 V N 0.889 120.759 119.914 -0.072 0.000 2.655 616 V HA 0.331 4.452 4.120 0.002 0.000 0.300 616 V C 1.262 177.292 176.094 -0.106 0.000 1.044 616 V CA -0.330 61.918 62.300 -0.086 0.000 1.095 616 V CB 1.378 33.163 31.823 -0.062 0.000 0.952 616 V HN 0.927 nan 8.190 nan 0.000 0.485 617 V N 5.609 125.456 119.914 -0.113 0.000 2.408 617 V HA 0.485 4.606 4.120 0.002 0.000 0.267 617 V C 0.134 176.173 176.094 -0.091 0.000 1.047 617 V CA -0.147 62.087 62.300 -0.110 0.000 0.937 617 V CB 0.490 32.243 31.823 -0.116 0.000 0.999 617 V HN 1.173 nan 8.190 nan 0.000 0.472 618 E N 3.439 123.592 120.200 -0.077 0.000 2.391 618 E HA 0.436 4.787 4.350 0.002 0.000 0.256 618 E C 0.818 177.389 176.600 -0.048 0.000 0.975 618 E CA -0.865 55.500 56.400 -0.059 0.000 0.881 618 E CB 0.569 30.240 29.700 -0.048 0.000 1.728 618 E HN 0.098 nan 8.360 nan 0.000 0.446 619 K N 0.665 121.046 120.400 -0.033 0.000 2.052 619 K HA -0.258 4.063 4.320 0.002 0.000 0.215 619 K C 1.522 178.109 176.600 -0.022 0.000 1.053 619 K CA 2.528 58.802 56.287 -0.021 0.000 0.934 619 K CB -0.249 32.245 32.500 -0.010 0.000 0.717 619 K HN 0.419 nan 8.250 nan 0.000 0.450 620 K N -0.647 119.739 120.400 -0.023 0.000 2.211 620 K HA -0.103 4.219 4.320 0.002 0.000 0.204 620 K C 1.951 178.533 176.600 -0.031 0.000 1.047 620 K CA 1.886 58.161 56.287 -0.020 0.000 0.935 620 K CB -0.057 32.430 32.500 -0.021 0.000 0.728 620 K HN 0.382 nan 8.250 nan 0.000 0.452 621 T N -0.545 113.979 114.554 -0.050 0.000 2.901 621 T HA -0.027 4.325 4.350 0.002 0.000 0.252 621 T C 1.822 176.485 174.700 -0.063 0.000 1.035 621 T CA 0.648 62.709 62.100 -0.066 0.000 1.142 621 T CB 0.097 68.911 68.868 -0.091 0.000 0.869 621 T HN 0.019 nan 8.240 nan 0.000 0.442 622 V N 0.928 120.806 119.914 -0.061 0.000 3.621 622 V HA 0.455 4.576 4.120 0.002 0.000 0.263 622 V C 1.216 177.286 176.094 -0.040 0.000 1.272 622 V CA 0.295 62.551 62.300 -0.072 0.000 1.080 622 V CB -0.283 31.491 31.823 -0.083 0.000 0.816 622 V HN 0.503 nan 8.190 nan 0.000 0.451 623 G N 0.208 108.998 108.800 -0.017 0.000 2.651 623 G HA2 0.208 4.169 3.960 0.002 0.000 0.260 623 G HA3 0.208 4.169 3.960 0.002 0.000 0.260 623 G C 0.751 175.662 174.900 0.019 0.000 1.216 623 G CA 0.409 45.515 45.100 0.010 0.000 0.913 623 G HN 0.657 nan 8.290 nan 0.000 0.535 624 S N -0.444 115.274 115.700 0.030 0.000 3.048 624 S HA 0.164 4.635 4.470 0.002 0.000 0.254 624 S C 1.023 175.626 174.600 0.005 0.000 1.084 624 S CA 0.063 58.275 58.200 0.021 0.000 1.195 624 S CB -1.054 62.152 63.200 0.009 0.000 0.870 624 S HN 0.675 nan 8.310 nan 0.000 0.483 625 S N 1.373 117.083 115.700 0.017 0.000 2.633 625 S HA 0.280 4.751 4.470 0.002 0.000 0.257 625 S C 1.030 175.669 174.600 0.066 0.000 1.265 625 S CA -0.644 57.575 58.200 0.031 0.000 0.980 625 S CB 0.162 63.377 63.200 0.025 0.000 1.017 625 S HN 0.418 nan 8.310 nan 0.000 0.577 626 N N 0.821 119.581 118.700 0.099 0.000 2.245 626 N HA 0.091 4.832 4.740 0.002 0.000 0.185 626 N C 1.845 177.473 175.510 0.197 0.000 1.036 626 N CA 1.327 54.495 53.050 0.197 0.000 0.857 626 N CB -1.030 37.551 38.487 0.157 0.000 1.015 626 N HN 0.744 nan 8.380 nan 0.000 0.436 627 G N -0.366 108.484 108.800 0.084 0.000 2.744 627 G HA2 0.117 4.078 3.960 0.002 0.000 0.211 627 G HA3 0.117 4.078 3.960 0.002 0.000 0.211 627 G C 0.702 175.610 174.900 0.014 0.000 1.143 627 G CA 0.424 45.540 45.100 0.027 0.000 0.788 627 G HN 0.425 nan 8.290 nan 0.000 0.534 628 G N -0.573 108.250 108.800 0.038 0.000 2.634 628 G HA2 0.311 4.272 3.960 0.002 0.000 0.255 628 G HA3 0.311 4.272 3.960 0.002 0.000 0.255 628 G C 0.962 175.864 174.900 0.003 0.000 1.205 628 G CA -0.653 44.452 45.100 0.007 0.000 0.884 628 G HN 0.144 nan 8.290 nan 0.000 0.549 629 L N -0.024 121.172 121.223 -0.045 0.000 2.079 629 L HA -0.134 4.207 4.340 0.002 0.000 0.210 629 L C 2.574 179.401 176.870 -0.073 0.000 1.081 629 L CA 0.983 55.779 54.840 -0.074 0.000 0.752 629 L CB -0.168 41.823 42.059 -0.114 0.000 0.896 629 L HN 0.532 nan 8.230 nan 0.000 0.433 630 I N -1.613 118.914 120.570 -0.072 0.000 2.233 630 I HA -0.258 3.913 4.170 0.002 0.000 0.243 630 I C 2.493 178.636 176.117 0.044 0.000 1.093 630 I CA 1.224 62.478 61.300 -0.077 0.000 1.380 630 I CB -1.196 36.758 38.000 -0.078 0.000 1.067 630 I HN 0.211 nan 8.210 nan 0.000 0.413 631 H N 1.137 120.183 119.070 -0.040 0.000 2.387 631 H HA -0.080 4.477 4.556 0.002 0.000 0.299 631 H C 2.097 177.405 175.328 -0.034 0.000 1.099 631 H CA 1.632 57.663 56.048 -0.028 0.000 1.315 631 H CB -0.126 29.626 29.762 -0.017 0.000 1.380 631 H HN 0.131 nan 8.280 nan 0.000 0.513 632 V N -0.335 119.609 119.914 0.051 0.000 2.229 632 V HA -0.200 3.921 4.120 0.002 0.000 0.243 632 V C 2.830 178.916 176.094 -0.013 0.000 1.042 632 V CA 1.550 63.834 62.300 -0.028 0.000 1.000 632 V CB -0.990 30.806 31.823 -0.045 0.000 0.637 632 V HN 0.227 nan 8.190 nan 0.000 0.446 633 V N 0.807 120.705 119.914 -0.027 0.000 2.568 633 V HA -0.268 3.853 4.120 0.002 0.000 0.253 633 V C 2.495 178.580 176.094 -0.015 0.000 1.072 633 V CA 2.464 64.740 62.300 -0.040 0.000 1.084 633 V CB -1.373 30.406 31.823 -0.072 0.000 0.676 633 V HN 0.722 nan 8.190 nan 0.000 0.469 634 T N -0.494 114.066 114.554 0.011 0.000 2.698 634 T HA -0.109 4.242 4.350 0.002 0.000 0.260 634 T C 2.071 176.776 174.700 0.009 0.000 1.044 634 T CA 0.863 62.973 62.100 0.017 0.000 1.149 634 T CB -0.254 68.632 68.868 0.030 0.000 0.864 634 T HN 0.303 nan 8.240 nan 0.000 0.419 635 R N 0.855 121.368 120.500 0.022 0.000 2.096 635 R HA -0.040 4.301 4.340 0.002 0.000 0.235 635 R C 2.477 178.779 176.300 0.003 0.000 1.127 635 R CA 1.186 57.291 56.100 0.008 0.000 0.968 635 R CB -0.362 29.942 30.300 0.007 0.000 0.861 635 R HN 0.410 nan 8.270 nan 0.000 0.440 636 E N 0.884 121.082 120.200 -0.004 0.000 2.006 636 E HA -0.117 4.234 4.350 0.002 0.000 0.192 636 E C 1.672 178.271 176.600 -0.001 0.000 0.993 636 E CA 1.566 57.962 56.400 -0.006 0.000 0.808 636 E CB 0.188 29.873 29.700 -0.025 0.000 0.764 636 E HN 0.057 nan 8.360 nan 0.000 0.449 637 K N -1.409 118.987 120.400 -0.007 0.000 2.313 637 K HA 0.301 4.623 4.320 0.002 0.000 0.197 637 K C 0.447 177.048 176.600 0.002 0.000 1.061 637 K CA 0.752 57.036 56.287 -0.005 0.000 0.980 637 K CB 1.391 33.881 32.500 -0.016 0.000 0.888 637 K HN 0.230 nan 8.250 nan 0.000 0.502 638 G N 1.068 109.869 108.800 0.002 0.000 2.347 638 G HA2 -0.062 3.900 3.960 0.002 0.000 0.321 638 G HA3 -0.062 3.900 3.960 0.002 0.000 0.321 638 G C -2.710 172.191 174.900 0.002 0.000 1.412 638 G CA -0.742 44.359 45.100 0.003 0.000 0.990 638 G HN -0.273 nan 8.290 nan 0.000 0.637 639 P HA -0.075 nan 4.420 nan 0.000 0.216 639 P C 1.458 178.768 177.300 0.017 0.000 1.153 639 P CA 1.284 64.384 63.100 -0.000 0.000 0.844 639 P CB 0.142 31.830 31.700 -0.019 0.000 0.787 640 Q N 0.027 119.833 119.800 0.011 0.000 2.061 640 Q HA -0.083 4.258 4.340 0.002 0.000 0.204 640 Q C 2.382 178.399 176.000 0.029 0.000 0.984 640 Q CA 1.453 57.266 55.803 0.017 0.000 0.846 640 Q CB -1.384 27.361 28.738 0.011 0.000 0.902 640 Q HN 0.208 nan 8.270 nan 0.000 0.421 641 V N 0.358 120.284 119.914 0.020 0.000 2.307 641 V HA -0.256 3.865 4.120 0.002 0.000 0.245 641 V C 2.569 178.675 176.094 0.020 0.000 1.045 641 V CA 1.641 63.950 62.300 0.016 0.000 1.024 641 V CB -1.160 30.664 31.823 0.003 0.000 0.651 641 V HN 0.426 nan 8.190 nan 0.000 0.449 642 C N 0.568 119.883 119.300 0.025 0.000 2.442 642 C HA -0.081 4.380 4.460 0.002 0.000 0.279 642 C C 3.188 178.262 174.990 0.141 0.000 1.237 642 C CA 0.898 59.933 59.018 0.029 0.000 1.722 642 C CB -1.289 26.477 27.740 0.043 0.000 2.056 642 C HN 0.611 nan 8.230 nan 0.000 0.469 643 A N 0.600 123.528 122.820 0.181 0.000 1.882 643 A HA -0.378 3.943 4.320 0.002 0.000 0.220 643 A C 2.158 179.872 177.584 0.217 0.000 1.253 643 A CA 2.860 55.027 52.037 0.216 0.000 0.664 643 A CB -1.146 17.900 19.000 0.076 0.000 0.838 643 A HN 0.771 nan 8.150 nan 0.000 0.460 644 K N -0.868 119.602 120.400 0.116 0.000 2.044 644 K HA -0.184 4.137 4.320 0.002 0.000 0.210 644 K C 1.877 178.531 176.600 0.090 0.000 1.049 644 K CA 1.669 58.011 56.287 0.091 0.000 0.927 644 K CB -0.441 32.093 32.500 0.056 0.000 0.713 644 K HN 0.380 nan 8.250 nan 0.000 0.443 645 L N 0.663 121.911 121.223 0.042 0.000 2.034 645 L HA -0.231 4.110 4.340 0.002 0.000 0.217 645 L C 1.702 178.533 176.870 -0.065 0.000 1.077 645 L CA 1.882 56.692 54.840 -0.051 0.000 0.769 645 L CB -0.791 41.179 42.059 -0.148 0.000 0.890 645 L HN 0.246 nan 8.230 nan 0.000 0.435 646 F N 0.184 120.126 119.950 -0.013 0.000 2.021 646 F HA -0.269 4.260 4.527 0.002 0.000 0.297 646 F C 2.564 178.355 175.800 -0.014 0.000 1.152 646 F CA 2.262 60.253 58.000 -0.014 0.000 1.201 646 F CB -1.470 37.523 39.000 -0.010 0.000 0.951 646 F HN 0.252 nan 8.300 nan 0.000 0.504 647 G N -0.298 108.626 108.800 0.207 0.000 2.599 647 G HA2 -0.402 3.559 3.960 0.002 0.000 0.219 647 G HA3 -0.402 3.559 3.960 0.002 0.000 0.219 647 G C 1.428 176.357 174.900 0.048 0.000 1.193 647 G CA 1.639 46.801 45.100 0.103 0.000 0.778 647 G HN 0.339 nan 8.290 nan 0.000 0.589 648 N N 0.794 119.519 118.700 0.041 0.000 2.060 648 N HA -0.141 4.600 4.740 0.002 0.000 0.195 648 N C 2.166 177.662 175.510 -0.023 0.000 1.028 648 N CA 1.557 54.616 53.050 0.014 0.000 0.861 648 N CB -0.410 38.089 38.487 0.019 0.000 1.029 648 N HN 0.493 nan 8.380 nan 0.000 0.428 649 I N 0.726 121.274 120.570 -0.037 0.000 2.142 649 I HA -0.314 3.858 4.170 0.002 0.000 0.240 649 I C 2.289 178.373 176.117 -0.055 0.000 1.078 649 I CA 1.292 62.558 61.300 -0.057 0.000 1.343 649 I CB -0.383 37.569 38.000 -0.080 0.000 1.046 649 I HN 0.185 nan 8.210 nan 0.000 0.405 650 Q N 0.873 120.652 119.800 -0.034 0.000 2.030 650 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 650 Q C 2.257 178.172 176.000 -0.141 0.000 0.986 650 Q CA 1.534 57.304 55.803 -0.054 0.000 0.843 650 Q CB -0.191 28.540 28.738 -0.012 0.000 0.904 650 Q HN 0.400 nan 8.270 nan 0.000 0.420 651 K N 0.085 120.388 120.400 -0.161 0.000 2.127 651 K HA -0.179 4.143 4.320 0.002 0.000 0.208 651 K C 2.068 178.361 176.600 -0.511 0.000 1.047 651 K CA 1.606 57.684 56.287 -0.347 0.000 0.927 651 K CB -0.190 32.206 32.500 -0.173 0.000 0.716 651 K HN 0.118 nan 8.250 nan 0.000 0.450 652 V N 0.570 120.330 119.914 -0.258 0.000 2.283 652 V HA -0.169 3.952 4.120 0.002 0.000 0.239 652 V C 2.402 178.455 176.094 -0.068 0.000 1.035 652 V CA 1.155 63.347 62.300 -0.181 0.000 1.018 652 V CB -0.609 31.166 31.823 -0.081 0.000 0.658 652 V HN -0.025 nan 8.190 nan 0.000 0.459 653 V N 1.468 121.356 119.914 -0.043 0.000 2.250 653 V HA -0.337 3.784 4.120 0.002 0.000 0.250 653 V C 2.474 178.576 176.094 0.013 0.000 1.060 653 V CA 2.502 64.817 62.300 0.025 0.000 1.030 653 V CB -1.153 30.665 31.823 -0.007 0.000 0.643 653 V HN 0.595 nan 8.190 nan 0.000 0.445 654 N N -0.200 118.449 118.700 -0.086 0.000 2.049 654 N HA -0.272 4.470 4.740 0.002 0.000 0.198 654 N C 1.720 177.123 175.510 -0.178 0.000 1.030 654 N CA 2.317 55.286 53.050 -0.135 0.000 0.870 654 N CB -0.724 37.647 38.487 -0.195 0.000 1.045 654 N HN 0.558 nan 8.380 nan 0.000 0.434 655 F N 0.419 120.138 119.950 -0.385 0.000 2.075 655 F HA -0.171 4.357 4.527 0.002 0.000 0.297 655 F C 2.455 178.089 175.800 -0.276 0.000 1.113 655 F CA 1.461 59.198 58.000 -0.439 0.000 1.218 655 F CB -0.605 38.009 39.000 -0.643 0.000 0.984 655 F HN 0.124 nan 8.300 nan 0.000 0.472 656 W N 1.105 122.354 121.300 -0.084 0.000 2.301 656 W HA -0.318 4.343 4.660 0.002 0.000 0.325 656 W C 2.264 178.676 176.519 -0.178 0.000 1.250 656 W CA 2.596 59.889 57.345 -0.087 0.000 1.261 656 W CB -1.025 28.424 29.460 -0.019 0.000 1.157 656 W HN 0.223 nan 8.180 nan 0.000 0.473 657 L N 0.677 121.757 121.223 -0.238 0.000 2.083 657 L HA -0.144 4.197 4.340 0.002 0.000 0.209 657 L C 2.320 178.924 176.870 -0.443 0.000 1.083 657 L CA 2.169 56.752 54.840 -0.429 0.000 0.752 657 L CB -1.508 40.490 42.059 -0.101 0.000 0.899 657 L HN 0.213 nan 8.230 nan 0.000 0.433 658 L N -0.356 120.602 121.223 -0.442 0.000 2.051 658 L HA -0.266 4.076 4.340 0.002 0.000 0.214 658 L C 2.356 178.988 176.870 -0.397 0.000 1.076 658 L CA 2.033 56.614 54.840 -0.432 0.000 0.758 658 L CB -1.321 40.386 42.059 -0.586 0.000 0.890 658 L HN 0.457 nan 8.230 nan 0.000 0.433 659 H N -1.705 117.039 119.070 -0.542 0.000 2.544 659 H HA 0.081 4.638 4.556 0.002 0.000 0.269 659 H C 2.031 177.074 175.328 -0.475 0.000 0.970 659 H CA 0.984 56.744 56.048 -0.480 0.000 1.219 659 H CB -0.192 29.265 29.762 -0.508 0.000 1.421 659 H HN 0.489 nan 8.280 nan 0.000 0.555 660 N N 0.054 118.416 118.700 -0.563 0.000 2.336 660 N HA 0.065 4.806 4.740 0.002 0.000 0.177 660 N C 0.387 175.728 175.510 -0.281 0.000 1.018 660 N CA 0.911 53.619 53.050 -0.570 0.000 0.878 660 N CB 0.724 38.501 38.487 -1.183 0.000 0.997 660 N HN 0.402 nan 8.380 nan 0.000 0.433 661 G N -0.923 107.748 108.800 -0.216 0.000 2.746 661 G HA2 -0.013 3.948 3.960 0.002 0.000 0.685 661 G HA3 -0.013 3.948 3.960 0.002 0.000 0.685 661 G C -0.939 174.014 174.900 0.088 0.000 1.350 661 G CA -0.213 44.848 45.100 -0.065 0.000 0.837 661 G HN 0.426 nan 8.290 nan 0.000 0.564 662 F N -0.290 119.609 119.950 -0.084 0.000 2.829 662 F HA 0.691 5.219 4.527 0.002 0.000 0.319 662 F C -0.280 175.498 175.800 -0.037 0.000 1.153 662 F CA 0.538 58.509 58.000 -0.049 0.000 0.912 662 F CB 1.102 40.081 39.000 -0.037 0.000 1.292 662 F HN 1.534 nan 8.300 nan 0.000 0.447 663 S N 0.241 115.281 115.700 -1.100 0.000 2.669 663 S HA 0.771 5.242 4.470 0.002 0.000 0.266 663 S C -1.940 172.255 174.600 -0.675 0.000 1.149 663 S CA -0.349 57.488 58.200 -0.605 0.000 0.842 663 S CB 1.825 64.831 63.200 -0.323 0.000 1.160 663 S HN 0.782 nan 8.310 nan 0.000 0.487 664 T N 1.372 115.725 114.554 -0.335 0.000 3.335 664 T HA 0.566 4.917 4.350 0.002 0.000 0.321 664 T C 0.010 174.623 174.700 -0.145 0.000 0.960 664 T CA -0.318 61.638 62.100 -0.240 0.000 1.034 664 T CB 1.153 69.915 68.868 -0.178 0.000 1.040 664 T HN 0.799 nan 8.240 nan 0.000 0.454 665 G N 1.117 109.842 108.800 -0.125 0.000 2.528 665 G HA2 0.530 4.491 3.960 0.002 0.000 0.289 665 G HA3 0.530 4.491 3.960 0.002 0.000 0.289 665 G C 1.081 175.942 174.900 -0.065 0.000 1.192 665 G CA -0.913 44.137 45.100 -0.083 0.000 0.921 665 G HN 0.684 nan 8.290 nan 0.000 0.512 666 I N 0.368 120.908 120.570 -0.050 0.000 2.361 666 I HA 0.005 4.176 4.170 0.002 0.000 0.251 666 I C 2.760 178.859 176.117 -0.031 0.000 1.133 666 I CA 1.315 62.592 61.300 -0.037 0.000 1.413 666 I CB -0.764 37.218 38.000 -0.029 0.000 1.073 666 I HN 0.488 nan 8.210 nan 0.000 0.424 667 G N 0.401 109.181 108.800 -0.032 0.000 2.537 667 G HA2 -0.204 3.757 3.960 0.002 0.000 0.220 667 G HA3 -0.204 3.757 3.960 0.002 0.000 0.220 667 G C 1.160 176.045 174.900 -0.025 0.000 1.111 667 G CA 0.866 45.951 45.100 -0.025 0.000 0.748 667 G HN 0.432 nan 8.290 nan 0.000 0.564 668 D N -0.353 120.026 120.400 -0.035 0.000 2.325 668 D HA 0.027 4.669 4.640 0.002 0.000 0.225 668 D C 2.019 178.306 176.300 -0.022 0.000 1.096 668 D CA 1.103 55.084 54.000 -0.031 0.000 0.844 668 D CB 0.425 41.193 40.800 -0.053 0.000 0.925 668 D HN 0.518 nan 8.370 nan 0.000 0.513 669 T N -3.016 111.527 114.554 -0.019 0.000 2.969 669 T HA 0.162 4.513 4.350 0.002 0.000 0.258 669 T C 1.178 175.875 174.700 -0.004 0.000 0.962 669 T CA -0.331 61.762 62.100 -0.012 0.000 0.903 669 T CB 0.747 69.607 68.868 -0.013 0.000 1.177 669 T HN -0.121 nan 8.240 nan 0.000 0.511 670 I N 2.946 123.512 120.570 -0.005 0.000 2.948 670 I HA 0.479 4.650 4.170 0.002 0.000 0.290 670 I C 0.628 176.747 176.117 0.004 0.000 1.226 670 I CA -0.047 61.252 61.300 -0.001 0.000 1.413 670 I CB -0.265 37.733 38.000 -0.004 0.000 1.352 670 I HN 0.454 nan 8.210 nan 0.000 0.597 671 A N 3.755 126.579 122.820 0.007 0.000 2.587 671 A HA 0.410 4.731 4.320 0.002 0.000 0.293 671 A C -0.782 176.809 177.584 0.012 0.000 1.087 671 A CA -0.713 51.331 52.037 0.012 0.000 0.692 671 A CB 1.058 20.067 19.000 0.016 0.000 1.291 671 A HN 0.644 nan 8.150 nan 0.000 0.407 672 D N 0.814 121.223 120.400 0.014 0.000 2.730 672 D HA 0.129 4.770 4.640 0.002 0.000 0.225 672 D C 1.688 177.996 176.300 0.013 0.000 1.107 672 D CA 1.712 55.721 54.000 0.014 0.000 0.837 672 D CB 0.840 41.650 40.800 0.016 0.000 1.171 672 D HN 0.701 nan 8.370 nan 0.000 0.498 673 G N 4.432 113.239 108.800 0.011 0.000 2.514 673 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 673 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 673 G C -0.769 174.138 174.900 0.012 0.000 1.198 673 G CA 0.458 45.565 45.100 0.011 0.000 0.780 673 G HN 0.522 nan 8.290 nan 0.000 0.565 674 P HA -0.042 nan 4.420 nan 0.000 0.229 674 P C 1.201 178.511 177.300 0.016 0.000 1.150 674 P CA 1.501 64.609 63.100 0.014 0.000 0.765 674 P CB -0.153 31.555 31.700 0.013 0.000 0.783 675 T N -1.939 112.626 114.554 0.018 0.000 3.033 675 T HA 0.134 4.486 4.350 0.002 0.000 0.248 675 T C 1.670 176.383 174.700 0.022 0.000 1.040 675 T CA 0.320 62.433 62.100 0.022 0.000 1.133 675 T CB -0.334 68.549 68.868 0.025 0.000 0.895 675 T HN -0.049 nan 8.240 nan 0.000 0.465 676 M N 1.149 120.760 119.600 0.018 0.000 2.700 676 M HA 0.196 4.678 4.480 0.002 0.000 0.249 676 M C 1.976 178.286 176.300 0.017 0.000 1.082 676 M CA 0.689 56.000 55.300 0.017 0.000 1.077 676 M CB -0.844 31.764 32.600 0.014 0.000 1.477 676 M HN 0.176 nan 8.290 nan 0.000 0.529 677 R N 0.006 120.516 120.500 0.017 0.000 2.146 677 R HA 0.036 4.378 4.340 0.002 0.000 0.206 677 R C 1.883 178.193 176.300 0.017 0.000 1.049 677 R CA 0.496 56.605 56.100 0.016 0.000 1.029 677 R CB 0.379 30.687 30.300 0.013 0.000 0.949 677 R HN 0.286 nan 8.270 nan 0.000 0.471 678 E N 0.330 120.542 120.200 0.019 0.000 2.150 678 E HA -0.160 4.191 4.350 0.002 0.000 0.193 678 E C 1.838 178.454 176.600 0.026 0.000 0.985 678 E CA 1.147 57.560 56.400 0.021 0.000 0.814 678 E CB 0.063 29.776 29.700 0.023 0.000 0.752 678 E HN 0.335 nan 8.360 nan 0.000 0.466 679 I N 0.516 121.104 120.570 0.030 0.000 2.202 679 I HA -0.229 3.942 4.170 0.002 0.000 0.242 679 I C 2.532 178.672 176.117 0.038 0.000 1.091 679 I CA 1.156 62.478 61.300 0.037 0.000 1.368 679 I CB -0.278 37.743 38.000 0.035 0.000 1.058 679 I HN -0.006 nan 8.210 nan 0.000 0.410 680 T N 0.421 114.993 114.554 0.031 0.000 2.821 680 T HA -0.164 4.187 4.350 0.002 0.000 0.267 680 T C 1.667 176.381 174.700 0.023 0.000 1.046 680 T CA 1.489 63.608 62.100 0.031 0.000 1.139 680 T CB -0.281 68.603 68.868 0.027 0.000 0.871 680 T HN 0.583 nan 8.240 nan 0.000 0.454 681 E N -0.006 120.204 120.200 0.017 0.000 2.478 681 E HA -0.037 4.314 4.350 0.002 0.000 0.198 681 E C 1.575 178.177 176.600 0.004 0.000 1.046 681 E CA 0.791 57.196 56.400 0.009 0.000 0.870 681 E CB -0.160 29.544 29.700 0.007 0.000 0.818 681 E HN 0.248 nan 8.360 nan 0.000 0.527 682 T N 0.686 115.248 114.554 0.013 0.000 3.031 682 T HA 0.094 4.445 4.350 0.002 0.000 0.254 682 T C 1.662 176.367 174.700 0.007 0.000 1.060 682 T CA 0.041 62.148 62.100 0.012 0.000 1.135 682 T CB 0.152 69.037 68.868 0.029 0.000 0.896 682 T HN 0.126 nan 8.240 nan 0.000 0.472 683 I N 1.878 122.461 120.570 0.021 0.000 2.193 683 I HA 0.018 4.189 4.170 0.002 0.000 0.240 683 I C 2.858 178.957 176.117 -0.030 0.000 1.084 683 I CA 1.019 62.326 61.300 0.011 0.000 1.365 683 I CB -1.596 36.445 38.000 0.068 0.000 1.064 683 I HN 0.149 nan 8.210 nan 0.000 0.410 684 A N 1.019 123.830 122.820 -0.014 0.000 2.125 684 A HA -0.194 4.128 4.320 0.002 0.000 0.219 684 A C 2.128 179.688 177.584 -0.040 0.000 1.156 684 A CA 1.595 53.619 52.037 -0.022 0.000 0.671 684 A CB -0.722 18.276 19.000 -0.004 0.000 0.794 684 A HN 0.698 nan 8.150 nan 0.000 0.459 685 E N -0.889 119.283 120.200 -0.048 0.000 2.400 685 E HA 0.287 4.638 4.350 0.002 0.000 0.195 685 E C 1.679 178.213 176.600 -0.111 0.000 1.012 685 E CA 0.637 56.996 56.400 -0.068 0.000 0.875 685 E CB -0.165 29.501 29.700 -0.057 0.000 0.859 685 E HN 0.396 nan 8.360 nan 0.000 0.498 686 A N 1.891 124.642 122.820 -0.115 0.000 1.903 686 A HA 0.013 4.335 4.320 0.002 0.000 0.213 686 A C 2.135 179.618 177.584 -0.168 0.000 1.185 686 A CA 0.696 52.636 52.037 -0.161 0.000 0.628 686 A CB -0.148 18.772 19.000 -0.133 0.000 0.830 686 A HN 0.026 nan 8.150 nan 0.000 0.446 687 K N -0.056 120.254 120.400 -0.149 0.000 2.026 687 K HA -0.118 4.203 4.320 0.002 0.000 0.208 687 K C 1.775 178.326 176.600 -0.083 0.000 1.048 687 K CA 1.328 57.537 56.287 -0.131 0.000 0.929 687 K CB -0.131 32.310 32.500 -0.099 0.000 0.713 687 K HN 0.298 nan 8.250 nan 0.000 0.439 688 K N 1.263 121.620 120.400 -0.073 0.000 2.525 688 K HA -0.082 4.240 4.320 0.002 0.000 0.192 688 K C 1.636 178.193 176.600 -0.073 0.000 1.029 688 K CA 0.570 56.825 56.287 -0.052 0.000 1.029 688 K CB 0.231 32.706 32.500 -0.041 0.000 0.814 688 K HN 0.020 nan 8.250 nan 0.000 0.503 689 K N -0.203 120.123 120.400 -0.123 0.000 2.244 689 K HA 0.020 4.341 4.320 0.002 0.000 0.200 689 K C 1.715 178.240 176.600 -0.126 0.000 1.052 689 K CA 0.230 56.401 56.287 -0.194 0.000 0.980 689 K CB 0.434 32.710 32.500 -0.373 0.000 0.838 689 K HN -0.132 nan 8.250 nan 0.000 0.481 690 V N 2.053 121.928 119.914 -0.065 0.000 2.295 690 V HA -0.254 3.868 4.120 0.002 0.000 0.246 690 V C 2.257 178.408 176.094 0.094 0.000 1.049 690 V CA 1.537 63.865 62.300 0.047 0.000 1.024 690 V CB -0.467 31.352 31.823 -0.006 0.000 0.648 690 V HN 0.325 nan 8.190 nan 0.000 0.447 691 L N 0.412 121.665 121.223 0.050 0.000 2.081 691 L HA -0.235 4.107 4.340 0.002 0.000 0.212 691 L C 2.060 178.978 176.870 0.079 0.000 1.080 691 L CA 2.158 57.039 54.840 0.069 0.000 0.754 691 L CB -0.703 41.376 42.059 0.032 0.000 0.893 691 L HN 0.366 nan 8.230 nan 0.000 0.433 692 D N -1.292 119.143 120.400 0.058 0.000 2.120 692 D HA -0.091 4.551 4.640 0.002 0.000 0.202 692 D C 2.328 178.693 176.300 0.108 0.000 0.972 692 D CA 1.494 55.529 54.000 0.059 0.000 0.837 692 D CB -0.361 40.452 40.800 0.022 0.000 0.989 692 D HN 0.253 nan 8.370 nan 0.000 0.469 693 V N 1.752 121.761 119.914 0.159 0.000 2.282 693 V HA -0.279 3.842 4.120 0.002 0.000 0.249 693 V C 2.546 178.848 176.094 0.346 0.000 1.057 693 V CA 2.194 64.648 62.300 0.257 0.000 1.032 693 V CB -1.107 30.918 31.823 0.337 0.000 0.645 693 V HN 0.238 nan 8.190 nan 0.000 0.447 694 T N -0.492 114.322 114.554 0.433 0.000 2.665 694 T HA -0.321 4.031 4.350 0.002 0.000 0.268 694 T C 1.936 176.676 174.700 0.067 0.000 1.035 694 T CA 2.089 64.403 62.100 0.357 0.000 1.151 694 T CB -0.261 68.825 68.868 0.363 0.000 0.862 694 T HN 0.447 nan 8.240 nan 0.000 0.438 695 K N 0.747 121.196 120.400 0.081 0.000 2.155 695 K HA -0.064 4.258 4.320 0.002 0.000 0.203 695 K C 2.424 179.034 176.600 0.017 0.000 1.052 695 K CA 1.111 57.419 56.287 0.035 0.000 0.948 695 K CB 0.023 32.547 32.500 0.041 0.000 0.728 695 K HN 0.519 nan 8.250 nan 0.000 0.448 696 E N 0.016 120.240 120.200 0.040 0.000 2.072 696 E HA -0.144 4.207 4.350 0.002 0.000 0.190 696 E C 1.776 178.375 176.600 -0.002 0.000 0.982 696 E CA 0.954 57.373 56.400 0.031 0.000 0.803 696 E CB -0.147 29.591 29.700 0.063 0.000 0.755 696 E HN 0.324 nan 8.360 nan 0.000 0.453 697 A N 0.926 123.731 122.820 -0.025 0.000 1.948 697 A HA -0.252 4.069 4.320 0.002 0.000 0.220 697 A C 2.054 179.548 177.584 -0.149 0.000 1.177 697 A CA 1.782 53.744 52.037 -0.125 0.000 0.636 697 A CB -0.568 18.224 19.000 -0.346 0.000 0.815 697 A HN 0.408 nan 8.150 nan 0.000 0.449 698 Q N -1.271 118.451 119.800 -0.129 0.000 2.472 698 Q HA 0.197 4.538 4.340 0.002 0.000 0.208 698 Q C 1.472 177.440 176.000 -0.052 0.000 0.958 698 Q CA 0.626 56.371 55.803 -0.097 0.000 0.932 698 Q CB -0.083 28.612 28.738 -0.071 0.000 1.007 698 Q HN 0.649 nan 8.270 nan 0.000 0.508 699 A N 0.484 123.281 122.820 -0.037 0.000 2.500 699 A HA 0.101 4.422 4.320 0.002 0.000 0.267 699 A C 0.481 178.054 177.584 -0.018 0.000 1.290 699 A CA -0.246 51.779 52.037 -0.019 0.000 0.928 699 A CB 0.140 19.136 19.000 -0.006 0.000 1.066 699 A HN 0.309 nan 8.150 nan 0.000 0.516 700 N N -0.861 117.820 118.700 -0.031 0.000 2.690 700 N HA -0.206 4.535 4.740 0.002 0.000 0.249 700 N C 0.761 176.264 175.510 -0.012 0.000 1.125 700 N CA 1.438 54.472 53.050 -0.026 0.000 0.794 700 N CB -1.593 36.880 38.487 -0.023 0.000 1.152 700 N HN 0.579 nan 8.380 nan 0.000 0.571 701 L N -0.793 120.428 121.223 -0.004 0.000 2.072 701 L HA 0.006 4.347 4.340 0.002 0.000 0.205 701 L C 1.403 178.281 176.870 0.014 0.000 1.079 701 L CA 0.180 55.024 54.840 0.007 0.000 0.752 701 L CB -0.314 41.753 42.059 0.014 0.000 0.906 701 L HN 0.191 nan 8.230 nan 0.000 0.436 702 L N 2.590 123.822 121.223 0.015 0.000 2.841 702 L HA -0.067 4.274 4.340 0.002 0.000 0.282 702 L C -0.085 176.798 176.870 0.022 0.000 1.130 702 L CA 1.140 55.997 54.840 0.029 0.000 0.996 702 L CB -0.616 41.460 42.059 0.029 0.000 1.364 702 L HN 0.182 nan 8.230 nan 0.000 0.466 703 T N 4.937 119.509 114.554 0.030 0.000 2.884 703 T HA 0.392 4.744 4.350 0.002 0.000 0.298 703 T C 0.544 175.259 174.700 0.025 0.000 0.998 703 T CA -0.280 61.835 62.100 0.025 0.000 1.124 703 T CB 0.911 69.797 68.868 0.031 0.000 0.931 703 T HN 0.790 nan 8.240 nan 0.000 0.531 704 A N 4.375 127.205 122.820 0.016 0.000 2.396 704 A HA 0.305 4.626 4.320 0.002 0.000 0.279 704 A C 0.620 178.217 177.584 0.022 0.000 1.165 704 A CA -0.645 51.398 52.037 0.009 0.000 0.824 704 A CB -0.054 18.942 19.000 -0.008 0.000 1.100 704 A HN 0.797 nan 8.150 nan 0.000 0.516 705 K N 1.944 122.360 120.400 0.025 0.000 2.380 705 K HA 0.035 4.356 4.320 0.002 0.000 0.267 705 K C 0.010 176.642 176.600 0.053 0.000 0.990 705 K CA -0.283 56.034 56.287 0.050 0.000 0.946 705 K CB 0.347 32.874 32.500 0.044 0.000 0.937 705 K HN 0.836 nan 8.250 nan 0.000 0.491 706 H N 0.401 119.480 119.070 0.015 0.000 3.094 706 H HA 0.056 4.613 4.556 0.002 0.000 0.320 706 H C 0.719 176.052 175.328 0.009 0.000 1.000 706 H CA 1.703 57.757 56.048 0.009 0.000 1.413 706 H CB 0.018 29.785 29.762 0.010 0.000 1.405 706 H HN 0.803 nan 8.280 nan 0.000 0.586 707 G N 5.559 113.948 108.800 -0.684 0.000 2.381 707 G HA2 -0.163 3.798 3.960 0.002 0.000 0.281 707 G HA3 -0.163 3.798 3.960 0.002 0.000 0.281 707 G C -0.253 174.554 174.900 -0.155 0.000 0.984 707 G CA 0.621 45.478 45.100 -0.405 0.000 1.339 707 G HN 0.950 nan 8.290 nan 0.000 0.485 708 M N -1.889 117.640 119.600 -0.119 0.000 2.822 708 M HA 0.426 4.907 4.480 0.002 0.000 0.275 708 M C -0.190 176.082 176.300 -0.046 0.000 1.084 708 M CA -1.016 54.248 55.300 -0.060 0.000 0.814 708 M CB 0.228 32.809 32.600 -0.032 0.000 1.693 708 M HN 0.142 nan 8.290 nan 0.000 0.531 709 T N 1.750 116.287 114.554 -0.028 0.000 2.937 709 T HA 0.216 4.568 4.350 0.002 0.000 0.316 709 T C 1.311 176.002 174.700 -0.015 0.000 1.079 709 T CA -0.262 61.826 62.100 -0.021 0.000 1.131 709 T CB 0.678 69.540 68.868 -0.010 0.000 1.000 709 T HN 0.559 nan 8.240 nan 0.000 0.549 710 L N 2.009 123.220 121.223 -0.019 0.000 2.013 710 L HA -0.133 4.208 4.340 0.002 0.000 0.212 710 L C 2.866 179.733 176.870 -0.006 0.000 1.073 710 L CA 1.813 56.643 54.840 -0.016 0.000 0.753 710 L CB -0.451 41.588 42.059 -0.033 0.000 0.890 710 L HN 0.585 nan 8.230 nan 0.000 0.432 711 R N -0.674 119.813 120.500 -0.022 0.000 2.105 711 R HA -0.194 4.147 4.340 0.002 0.000 0.239 711 R C 2.234 178.566 176.300 0.053 0.000 1.135 711 R CA 1.520 57.615 56.100 -0.008 0.000 0.967 711 R CB -0.300 29.982 30.300 -0.030 0.000 0.861 711 R HN 0.461 nan 8.270 nan 0.000 0.442 712 E N -0.047 120.168 120.200 0.025 0.000 2.160 712 E HA -0.143 4.209 4.350 0.002 0.000 0.195 712 E C 1.281 177.888 176.600 0.012 0.000 0.991 712 E CA 1.609 58.020 56.400 0.018 0.000 0.810 712 E CB 0.104 29.805 29.700 0.002 0.000 0.742 712 E HN 0.347 nan 8.360 nan 0.000 0.466 713 S N -0.642 115.073 115.700 0.024 0.000 2.597 713 S HA 0.063 4.535 4.470 0.002 0.000 0.224 713 S C 1.014 175.640 174.600 0.044 0.000 0.955 713 S CA -0.438 57.767 58.200 0.008 0.000 0.933 713 S CB 0.078 63.282 63.200 0.006 0.000 0.788 713 S HN 0.214 nan 8.310 nan 0.000 0.488 714 F N 2.278 122.177 119.950 -0.086 0.000 2.419 714 F HA 0.337 4.865 4.527 0.002 0.000 0.283 714 F C 2.148 177.889 175.800 -0.098 0.000 1.044 714 F CA 0.547 58.491 58.000 -0.093 0.000 1.376 714 F CB -0.019 38.915 39.000 -0.111 0.000 1.131 714 F HN 0.009 nan 8.300 nan 0.000 0.585 715 E N 0.798 120.978 120.200 -0.033 0.000 2.049 715 E HA -0.277 4.075 4.350 0.002 0.000 0.198 715 E C 1.898 178.389 176.600 -0.181 0.000 1.007 715 E CA 1.719 58.050 56.400 -0.114 0.000 0.809 715 E CB -0.734 28.963 29.700 -0.005 0.000 0.749 715 E HN 0.550 nan 8.360 nan 0.000 0.450 716 D N 0.127 120.445 120.400 -0.138 0.000 2.097 716 D HA -0.148 4.493 4.640 0.002 0.000 0.197 716 D C 1.570 177.703 176.300 -0.278 0.000 0.984 716 D CA 0.749 54.653 54.000 -0.161 0.000 0.826 716 D CB 0.075 40.810 40.800 -0.109 0.000 0.973 716 D HN 0.000 nan 8.370 nan 0.000 0.460 717 N N 0.249 118.747 118.700 -0.337 0.000 2.069 717 N HA -0.179 4.562 4.740 0.002 0.000 0.196 717 N C 1.935 176.993 175.510 -0.754 0.000 1.024 717 N CA 1.094 53.793 53.050 -0.584 0.000 0.869 717 N CB -0.538 37.691 38.487 -0.429 0.000 1.035 717 N HN 0.113 nan 8.380 nan 0.000 0.434 718 V N -0.144 119.447 119.914 -0.539 0.000 2.283 718 V HA -0.146 3.976 4.120 0.002 0.000 0.243 718 V C 2.333 178.295 176.094 -0.219 0.000 1.039 718 V CA 1.121 63.199 62.300 -0.371 0.000 1.016 718 V CB -0.538 30.997 31.823 -0.481 0.000 0.650 718 V HN 0.093 nan 8.190 nan 0.000 0.449 719 V N -0.055 119.739 119.914 -0.200 0.000 2.282 719 V HA -0.348 3.773 4.120 0.002 0.000 0.249 719 V C 2.603 178.657 176.094 -0.066 0.000 1.057 719 V CA 2.399 64.642 62.300 -0.095 0.000 1.032 719 V CB -0.828 30.947 31.823 -0.080 0.000 0.645 719 V HN 0.459 nan 8.190 nan 0.000 0.447 720 R N -0.911 119.501 120.500 -0.147 0.000 2.083 720 R HA -0.156 4.186 4.340 0.002 0.000 0.237 720 R C 2.284 178.589 176.300 0.009 0.000 1.137 720 R CA 2.028 58.060 56.100 -0.114 0.000 0.951 720 R CB -0.463 29.701 30.300 -0.228 0.000 0.851 720 R HN 0.519 nan 8.270 nan 0.000 0.434 721 F N 0.176 120.086 119.950 -0.068 0.000 2.408 721 F HA -0.154 4.374 4.527 0.002 0.000 0.300 721 F C 2.020 177.766 175.800 -0.090 0.000 1.090 721 F CA 0.274 58.226 58.000 -0.079 0.000 1.427 721 F CB 0.114 39.047 39.000 -0.111 0.000 1.070 721 F HN 0.060 nan 8.300 nan 0.000 0.549 722 L N -0.999 120.280 121.223 0.095 0.000 2.286 722 L HA -0.042 4.300 4.340 0.002 0.000 0.203 722 L C 1.849 178.838 176.870 0.198 0.000 1.068 722 L CA 0.277 55.145 54.840 0.047 0.000 0.811 722 L CB -0.473 41.576 42.059 -0.017 0.000 0.989 722 L HN -0.036 nan 8.230 nan 0.000 0.467 723 N N 0.621 119.416 118.700 0.157 0.000 2.104 723 N HA -0.214 4.528 4.740 0.002 0.000 0.190 723 N C 1.628 177.224 175.510 0.144 0.000 1.024 723 N CA 1.313 54.452 53.050 0.148 0.000 0.853 723 N CB -0.154 38.390 38.487 0.094 0.000 1.008 723 N HN 0.298 nan 8.380 nan 0.000 0.424 724 E N 0.392 120.669 120.200 0.128 0.000 2.058 724 E HA -0.149 4.202 4.350 0.002 0.000 0.194 724 E C 1.922 178.593 176.600 0.118 0.000 0.997 724 E CA 1.250 57.723 56.400 0.121 0.000 0.801 724 E CB -0.176 29.604 29.700 0.134 0.000 0.746 724 E HN 0.403 nan 8.360 nan 0.000 0.450 725 A N 1.295 124.182 122.820 0.112 0.000 1.986 725 A HA -0.263 4.058 4.320 0.002 0.000 0.220 725 A C 2.049 179.721 177.584 0.147 0.000 1.171 725 A CA 1.751 53.847 52.037 0.098 0.000 0.640 725 A CB -0.465 18.562 19.000 0.047 0.000 0.811 725 A HN 0.116 nan 8.150 nan 0.000 0.451 726 R N -0.412 120.202 120.500 0.190 0.000 2.052 726 R HA -0.115 4.226 4.340 0.002 0.000 0.224 726 R C 1.663 178.072 176.300 0.183 0.000 1.165 726 R CA 1.543 57.748 56.100 0.174 0.000 0.939 726 R CB -0.455 29.938 30.300 0.155 0.000 0.834 726 R HN 0.379 nan 8.270 nan 0.000 0.435 727 D N 0.715 121.251 120.400 0.226 0.000 2.157 727 D HA -0.245 4.396 4.640 0.002 0.000 0.191 727 D C 1.709 178.184 176.300 0.292 0.000 1.004 727 D CA 1.689 55.897 54.000 0.346 0.000 0.854 727 D CB -0.219 40.716 40.800 0.224 0.000 0.936 727 D HN 0.172 nan 8.370 nan 0.000 0.446 728 K N 0.736 121.239 120.400 0.172 0.000 1.991 728 K HA -0.097 4.224 4.320 0.002 0.000 0.212 728 K C 1.943 178.624 176.600 0.136 0.000 1.049 728 K CA 1.865 58.226 56.287 0.125 0.000 0.932 728 K CB -0.591 31.958 32.500 0.083 0.000 0.717 728 K HN 0.067 nan 8.250 nan 0.000 0.441 729 A N 0.117 123.011 122.820 0.124 0.000 1.933 729 A HA 0.000 4.321 4.320 0.002 0.000 0.218 729 A C 2.362 180.011 177.584 0.108 0.000 1.175 729 A CA 1.868 53.965 52.037 0.100 0.000 0.628 729 A CB -1.412 17.640 19.000 0.086 0.000 0.814 729 A HN 0.545 nan 8.150 nan 0.000 0.444 730 G N -0.288 108.595 108.800 0.137 0.000 2.552 730 G HA2 -0.276 3.685 3.960 0.002 0.000 0.216 730 G HA3 -0.276 3.685 3.960 0.002 0.000 0.216 730 G C 1.688 176.754 174.900 0.278 0.000 1.240 730 G CA 0.985 46.134 45.100 0.082 0.000 0.796 730 G HN 0.533 nan 8.290 nan 0.000 0.568 731 R N -0.323 120.520 120.500 0.572 0.000 2.170 731 R HA 0.072 4.414 4.340 0.002 0.000 0.242 731 R C 2.504 178.932 176.300 0.213 0.000 1.145 731 R CA 0.570 56.930 56.100 0.434 0.000 0.984 731 R CB -0.400 29.982 30.300 0.138 0.000 0.869 731 R HN 0.319 nan 8.270 nan 0.000 0.455 732 L N -0.251 121.066 121.223 0.156 0.000 2.456 732 L HA -0.064 4.277 4.340 0.002 0.000 0.224 732 L C 1.666 178.587 176.870 0.084 0.000 1.148 732 L CA 0.651 55.549 54.840 0.096 0.000 0.825 732 L CB -0.078 42.026 42.059 0.075 0.000 0.937 732 L HN 0.225 nan 8.230 nan 0.000 0.450 733 A N -1.509 121.370 122.820 0.098 0.000 2.288 733 A HA -0.035 4.286 4.320 0.002 0.000 0.216 733 A C 1.962 179.596 177.584 0.083 0.000 1.199 733 A CA 0.058 52.136 52.037 0.068 0.000 0.891 733 A CB 0.079 19.102 19.000 0.037 0.000 0.923 733 A HN 0.386 nan 8.150 nan 0.000 0.500 734 E N 0.061 120.346 120.200 0.142 0.000 2.152 734 E HA -0.082 4.270 4.350 0.002 0.000 0.192 734 E C 1.372 178.031 176.600 0.099 0.000 0.983 734 E CA 1.242 57.731 56.400 0.149 0.000 0.818 734 E CB 0.039 29.890 29.700 0.253 0.000 0.758 734 E HN 0.287 nan 8.360 nan 0.000 0.467 735 V N 1.779 121.745 119.914 0.086 0.000 2.809 735 V HA -0.155 3.966 4.120 0.002 0.000 0.256 735 V C 2.130 178.253 176.094 0.049 0.000 1.080 735 V CA 1.589 63.925 62.300 0.059 0.000 1.102 735 V CB -0.531 31.323 31.823 0.051 0.000 0.705 735 V HN 0.339 nan 8.190 nan 0.000 0.475 736 N N 0.228 118.958 118.700 0.049 0.000 2.333 736 N HA 0.001 4.742 4.740 0.002 0.000 0.178 736 N C 0.699 176.231 175.510 0.036 0.000 1.018 736 N CA 0.373 53.446 53.050 0.039 0.000 0.882 736 N CB -0.207 38.301 38.487 0.035 0.000 0.984 736 N HN 0.410 nan 8.380 nan 0.000 0.434 737 L N 2.152 123.401 121.223 0.043 0.000 2.540 737 L HA -0.011 4.330 4.340 0.002 0.000 0.276 737 L C 0.894 177.788 176.870 0.039 0.000 1.212 737 L CA 0.248 55.112 54.840 0.040 0.000 0.893 737 L CB 0.382 42.470 42.059 0.047 0.000 1.138 737 L HN 0.136 nan 8.230 nan 0.000 0.491 738 K N 2.110 122.531 120.400 0.035 0.000 2.140 738 K HA 0.064 4.385 4.320 0.002 0.000 0.237 738 K C 0.303 176.928 176.600 0.041 0.000 1.045 738 K CA -0.845 55.463 56.287 0.035 0.000 0.896 738 K CB 0.567 33.085 32.500 0.030 0.000 1.122 738 K HN 0.443 nan 8.250 nan 0.000 0.503 739 D N 0.619 121.044 120.400 0.041 0.000 2.183 739 D HA -0.063 4.578 4.640 0.002 0.000 0.203 739 D C 1.565 177.901 176.300 0.059 0.000 0.969 739 D CA 0.952 54.980 54.000 0.047 0.000 0.842 739 D CB -0.125 40.700 40.800 0.041 0.000 0.957 739 D HN 0.383 nan 8.370 nan 0.000 0.484 740 L N -0.616 120.639 121.223 0.053 0.000 2.633 740 L HA 0.103 4.444 4.340 0.002 0.000 0.235 740 L C 0.530 177.435 176.870 0.059 0.000 1.163 740 L CA 0.121 54.997 54.840 0.060 0.000 0.859 740 L CB -1.115 40.971 42.059 0.045 0.000 0.973 740 L HN -0.214 nan 8.230 nan 0.000 0.451 741 N N 1.017 119.751 118.700 0.057 0.000 2.442 741 N HA 0.058 4.800 4.740 0.002 0.000 0.265 741 N C 0.948 176.506 175.510 0.080 0.000 1.138 741 N CA -0.194 52.884 53.050 0.046 0.000 0.956 741 N CB 0.497 39.008 38.487 0.040 0.000 1.067 741 N HN 0.186 nan 8.380 nan 0.000 0.474 742 N N 2.628 121.352 118.700 0.039 0.000 2.006 742 N HA -0.179 4.562 4.740 0.002 0.000 0.196 742 N C 1.458 177.060 175.510 0.154 0.000 1.057 742 N CA 1.351 54.442 53.050 0.067 0.000 0.853 742 N CB -0.462 37.833 38.487 -0.321 0.000 1.051 742 N HN 0.282 nan 8.380 nan 0.000 0.423 743 V N 2.178 122.124 119.914 0.054 0.000 2.233 743 V HA -0.285 3.836 4.120 0.002 0.000 0.252 743 V C 2.475 178.623 176.094 0.090 0.000 1.063 743 V CA 1.795 64.135 62.300 0.066 0.000 1.032 743 V CB -0.652 31.181 31.823 0.017 0.000 0.645 743 V HN 0.387 nan 8.190 nan 0.000 0.446 744 K N -0.827 119.619 120.400 0.077 0.000 2.281 744 K HA -0.240 4.082 4.320 0.002 0.000 0.203 744 K C 2.223 178.877 176.600 0.091 0.000 1.046 744 K CA 1.703 58.036 56.287 0.077 0.000 0.938 744 K CB -0.063 32.478 32.500 0.068 0.000 0.737 744 K HN 0.600 nan 8.250 nan 0.000 0.458 745 Q N -0.750 119.127 119.800 0.128 0.000 2.250 745 Q HA 0.039 4.380 4.340 0.002 0.000 0.200 745 Q C 2.026 178.081 176.000 0.092 0.000 0.941 745 Q CA 0.632 56.511 55.803 0.126 0.000 0.872 745 Q CB 0.190 29.052 28.738 0.207 0.000 0.965 745 Q HN 0.308 nan 8.270 nan 0.000 0.480 746 M N -0.360 119.322 119.600 0.138 0.000 2.099 746 M HA -0.157 4.324 4.480 0.002 0.000 0.262 746 M C 2.188 178.518 176.300 0.049 0.000 1.067 746 M CA 1.079 56.428 55.300 0.081 0.000 1.124 746 M CB -0.148 32.537 32.600 0.141 0.000 1.353 746 M HN 0.028 nan 8.290 nan 0.000 0.410 747 V N 0.748 120.700 119.914 0.064 0.000 2.317 747 V HA -0.343 3.779 4.120 0.002 0.000 0.251 747 V C 2.392 178.511 176.094 0.042 0.000 1.065 747 V CA 1.975 64.308 62.300 0.054 0.000 1.049 747 V CB -0.651 31.212 31.823 0.068 0.000 0.651 747 V HN 0.532 nan 8.190 nan 0.000 0.450 748 M N -0.504 119.120 119.600 0.041 0.000 2.159 748 M HA -0.159 4.323 4.480 0.002 0.000 0.263 748 M C 2.218 178.521 176.300 0.005 0.000 1.063 748 M CA 2.050 57.365 55.300 0.026 0.000 1.110 748 M CB -0.488 32.129 32.600 0.027 0.000 1.374 748 M HN 0.432 nan 8.290 nan 0.000 0.411 749 A N -0.301 122.515 122.820 -0.005 0.000 2.067 749 A HA 0.270 4.592 4.320 0.002 0.000 0.217 749 A C 1.634 179.210 177.584 -0.013 0.000 1.156 749 A CA 0.943 52.965 52.037 -0.024 0.000 0.683 749 A CB -0.760 18.210 19.000 -0.051 0.000 0.808 749 A HN 0.625 nan 8.150 nan 0.000 0.455 750 G N 0.116 108.918 108.800 0.003 0.000 2.246 750 G HA2 -0.280 3.682 3.960 0.002 0.000 0.273 750 G HA3 -0.280 3.682 3.960 0.002 0.000 0.273 750 G C 1.001 175.904 174.900 0.004 0.000 1.055 750 G CA 1.300 46.405 45.100 0.009 0.000 0.851 750 G HN 1.407 nan 8.290 nan 0.000 0.500 751 S N -1.338 114.363 115.700 0.002 0.000 2.357 751 S HA 0.263 4.734 4.470 0.002 0.000 0.221 751 S C 1.049 175.656 174.600 0.013 0.000 1.031 751 S CA 1.698 59.898 58.200 -0.001 0.000 0.982 751 S CB 0.402 63.593 63.200 -0.015 0.000 0.853 751 S HN 0.518 nan 8.310 nan 0.000 0.458 752 K N -0.308 120.107 120.400 0.024 0.000 2.597 752 K HA 0.519 4.840 4.320 0.002 0.000 0.282 752 K C -0.288 176.330 176.600 0.030 0.000 0.975 752 K CA 0.147 56.448 56.287 0.024 0.000 0.867 752 K CB 1.544 34.059 32.500 0.025 0.000 1.465 752 K HN 0.629 nan 8.250 nan 0.000 0.417 753 G N 0.757 109.570 108.800 0.022 0.000 2.756 753 G HA2 -0.087 3.874 3.960 0.002 0.000 0.678 753 G HA3 -0.087 3.874 3.960 0.002 0.000 0.678 753 G C -0.559 174.363 174.900 0.037 0.000 1.349 753 G CA 0.010 45.124 45.100 0.023 0.000 0.847 753 G HN 1.084 nan 8.290 nan 0.000 0.548 754 S N -1.396 114.331 115.700 0.045 0.000 2.929 754 S HA 0.765 5.236 4.470 0.002 0.000 0.311 754 S C 0.815 175.485 174.600 0.116 0.000 1.213 754 S CA 0.444 58.695 58.200 0.085 0.000 0.908 754 S CB 0.951 64.206 63.200 0.092 0.000 1.287 754 S HN 1.960 nan 8.310 nan 0.000 0.594 755 F N 1.636 121.596 119.950 0.017 0.000 1.991 755 F HA -0.008 4.520 4.527 0.002 0.000 0.298 755 F C 2.296 178.109 175.800 0.022 0.000 1.225 755 F CA 1.902 59.913 58.000 0.020 0.000 1.187 755 F CB -1.024 37.988 39.000 0.019 0.000 0.954 755 F HN 0.617 nan 8.300 nan 0.000 0.510 756 I N 1.669 122.111 120.570 -0.213 0.000 2.346 756 I HA -0.551 3.620 4.170 0.002 0.000 0.240 756 I C 2.178 178.139 176.117 -0.260 0.000 0.970 756 I CA 2.600 63.724 61.300 -0.293 0.000 1.269 756 I CB -0.918 37.068 38.000 -0.025 0.000 0.971 756 I HN 0.474 nan 8.210 nan 0.000 0.412 757 N N 0.427 119.043 118.700 -0.140 0.000 2.094 757 N HA -0.201 4.540 4.740 0.002 0.000 0.191 757 N C 1.901 177.339 175.510 -0.120 0.000 1.023 757 N CA 2.133 55.122 53.050 -0.102 0.000 0.857 757 N CB -0.316 38.136 38.487 -0.059 0.000 1.013 757 N HN 0.454 nan 8.380 nan 0.000 0.426 758 I N 1.573 122.047 120.570 -0.159 0.000 2.113 758 I HA -0.195 3.976 4.170 0.002 0.000 0.238 758 I C 2.619 178.623 176.117 -0.189 0.000 1.070 758 I CA 0.888 62.100 61.300 -0.146 0.000 1.332 758 I CB -1.548 36.380 38.000 -0.120 0.000 1.044 758 I HN 0.024 nan 8.210 nan 0.000 0.402 759 A N 0.703 123.289 122.820 -0.390 0.000 1.892 759 A HA -0.247 4.074 4.320 0.002 0.000 0.218 759 A C 2.277 179.768 177.584 -0.154 0.000 1.188 759 A CA 1.610 53.444 52.037 -0.339 0.000 0.631 759 A CB -0.677 17.969 19.000 -0.591 0.000 0.822 759 A HN 0.515 nan 8.150 nan 0.000 0.447 760 Q N -0.767 118.964 119.800 -0.114 0.000 1.956 760 Q HA -0.217 4.124 4.340 0.002 0.000 0.208 760 Q C 2.348 178.449 176.000 0.168 0.000 0.998 760 Q CA 1.842 57.676 55.803 0.053 0.000 0.855 760 Q CB -0.525 28.302 28.738 0.148 0.000 0.928 760 Q HN 0.738 nan 8.270 nan 0.000 0.418 761 M N 0.271 119.943 119.600 0.119 0.000 2.106 761 M HA -0.156 4.326 4.480 0.002 0.000 0.259 761 M C 2.100 178.443 176.300 0.071 0.000 1.068 761 M CA 1.625 56.993 55.300 0.112 0.000 1.100 761 M CB -0.177 32.414 32.600 -0.015 0.000 1.351 761 M HN 0.110 nan 8.290 nan 0.000 0.404 762 S N -1.061 114.645 115.700 0.011 0.000 2.497 762 S HA 0.284 4.755 4.470 0.002 0.000 0.221 762 S C 1.666 176.264 174.600 -0.003 0.000 1.037 762 S CA 0.427 58.628 58.200 0.002 0.000 0.920 762 S CB 0.434 63.629 63.200 -0.009 0.000 0.800 762 S HN 0.497 nan 8.310 nan 0.000 0.505 763 A N 0.027 122.836 122.820 -0.018 0.000 2.016 763 A HA 0.591 4.912 4.320 0.002 0.000 0.202 763 A C 0.725 178.296 177.584 -0.021 0.000 1.632 763 A CA 0.660 52.690 52.037 -0.012 0.000 0.891 763 A CB 0.034 19.031 19.000 -0.004 0.000 1.103 763 A HN 0.673 nan 8.150 nan 0.000 0.547 764 C N -0.642 118.627 119.300 -0.052 0.000 3.247 764 C HA 0.484 4.946 4.460 0.002 0.000 0.375 764 C C 1.378 176.267 174.990 -0.169 0.000 1.102 764 C CA -0.171 58.790 59.018 -0.094 0.000 1.227 764 C CB 0.691 28.424 27.740 -0.012 0.000 1.586 764 C HN 1.070 nan 8.230 nan 0.000 0.544 765 V N 3.671 123.407 119.914 -0.297 0.000 2.256 765 V HA 0.709 4.831 4.120 0.002 0.000 0.240 765 V C 1.321 177.215 176.094 -0.332 0.000 1.036 765 V CA 1.877 63.966 62.300 -0.351 0.000 1.008 765 V CB -1.137 30.339 31.823 -0.578 0.000 0.648 765 V HN 2.628 nan 8.190 nan 0.000 0.453 766 G N -0.506 107.986 108.800 -0.514 0.000 2.334 766 G HA2 0.177 4.138 3.960 0.002 0.000 0.315 766 G HA3 0.177 4.138 3.960 0.002 0.000 0.315 766 G C -1.308 173.264 174.900 -0.547 0.000 1.284 766 G CA -0.173 44.619 45.100 -0.513 0.000 0.985 766 G HN 0.714 nan 8.290 nan 0.000 0.504 767 Q N -0.083 119.579 119.800 -0.231 0.000 2.296 767 Q HA 0.619 4.960 4.340 0.002 0.000 0.262 767 Q C 0.198 176.161 176.000 -0.062 0.000 0.981 767 Q CA 0.077 55.843 55.803 -0.062 0.000 0.905 767 Q CB 1.070 29.878 28.738 0.116 0.000 1.186 767 Q HN 0.540 nan 8.270 nan 0.000 0.399 768 Q N 1.178 120.944 119.800 -0.057 0.000 2.299 768 Q HA 0.538 4.880 4.340 0.002 0.000 0.246 768 Q C -1.097 174.889 176.000 -0.024 0.000 0.935 768 Q CA 0.010 55.803 55.803 -0.016 0.000 0.887 768 Q CB 1.544 30.296 28.738 0.023 0.000 1.223 768 Q HN 0.698 nan 8.270 nan 0.000 0.439 769 S N 0.701 116.398 115.700 -0.005 0.000 2.536 769 S HA 0.856 5.327 4.470 0.002 0.000 0.287 769 S C -1.292 173.302 174.600 -0.011 0.000 1.101 769 S CA -0.710 57.482 58.200 -0.014 0.000 0.950 769 S CB 1.234 64.430 63.200 -0.005 0.000 1.056 769 S HN 0.269 nan 8.310 nan 0.000 0.481 770 V N 2.340 122.242 119.914 -0.020 0.000 2.686 770 V HA 0.538 4.660 4.120 0.002 0.000 0.306 770 V C -0.131 175.956 176.094 -0.011 0.000 1.065 770 V CA -0.853 61.438 62.300 -0.016 0.000 0.894 770 V CB 1.027 32.836 31.823 -0.024 0.000 1.004 770 V HN 1.123 nan 8.190 nan 0.000 0.424 771 E N 2.948 123.146 120.200 -0.004 0.000 2.165 771 E HA -0.233 4.119 4.350 0.002 0.000 0.203 771 E C 1.293 177.893 176.600 0.000 0.000 1.335 771 E CA 0.949 57.350 56.400 0.001 0.000 0.708 771 E CB -1.091 28.611 29.700 0.004 0.000 1.105 771 E HN 1.594 nan 8.360 nan 0.000 0.346 772 G N 0.363 109.162 108.800 -0.001 0.000 2.361 772 G HA2 -0.398 3.563 3.960 0.002 0.000 0.294 772 G HA3 -0.398 3.563 3.960 0.002 0.000 0.294 772 G C -0.055 174.841 174.900 -0.008 0.000 1.004 772 G CA 1.210 46.309 45.100 -0.003 0.000 0.870 772 G HN 0.325 nan 8.290 nan 0.000 0.510 773 K N -0.160 120.232 120.400 -0.014 0.000 2.378 773 K HA 0.463 4.784 4.320 0.002 0.000 0.252 773 K C 0.817 177.392 176.600 -0.042 0.000 0.931 773 K CA -1.093 55.181 56.287 -0.021 0.000 0.794 773 K CB 1.606 34.099 32.500 -0.011 0.000 1.181 773 K HN 0.445 nan 8.250 nan 0.000 0.425 774 R N 2.439 122.908 120.500 -0.053 0.000 2.740 774 R HA 0.028 4.370 4.340 0.002 0.000 0.263 774 R C 0.120 176.336 176.300 -0.141 0.000 0.997 774 R CA -0.375 55.673 56.100 -0.087 0.000 1.108 774 R CB -0.109 30.143 30.300 -0.081 0.000 0.969 774 R HN 0.479 nan 8.270 nan 0.000 0.431 775 I N 1.672 122.121 120.570 -0.202 0.000 3.184 775 I HA -0.215 3.957 4.170 0.002 0.000 0.333 775 I C 1.229 177.185 176.117 -0.268 0.000 1.214 775 I CA 0.815 61.971 61.300 -0.239 0.000 1.465 775 I CB -0.925 36.830 38.000 -0.410 0.000 1.308 775 I HN 0.831 nan 8.210 nan 0.000 0.525 776 A N 7.792 130.511 122.820 -0.168 0.000 2.346 776 A HA 0.317 4.639 4.320 0.002 0.000 0.255 776 A C -0.192 177.279 177.584 -0.188 0.000 1.113 776 A CA -0.154 51.793 52.037 -0.150 0.000 0.798 776 A CB 0.067 19.056 19.000 -0.017 0.000 1.073 776 A HN 0.543 nan 8.150 nan 0.000 0.502 777 F N 0.790 120.785 119.950 0.075 0.000 2.406 777 F HA 0.359 4.887 4.527 0.002 0.000 0.358 777 F C 1.581 177.440 175.800 0.099 0.000 1.161 777 F CA 0.326 58.390 58.000 0.107 0.000 1.185 777 F CB 0.817 39.861 39.000 0.073 0.000 1.421 777 F HN 0.702 nan 8.300 nan 0.000 0.576 778 G N 3.159 112.109 108.800 0.250 0.000 2.394 778 G HA2 -0.108 3.853 3.960 0.002 0.000 0.215 778 G HA3 -0.108 3.853 3.960 0.002 0.000 0.215 778 G C 0.397 175.295 174.900 -0.003 0.000 1.165 778 G CA 0.080 45.218 45.100 0.062 0.000 0.784 778 G HN 0.301 nan 8.290 nan 0.000 0.535 779 F N 0.426 120.482 119.950 0.177 0.000 2.389 779 F HA 0.381 4.909 4.527 0.002 0.000 0.337 779 F C 0.713 176.586 175.800 0.121 0.000 1.112 779 F CA -0.943 57.135 58.000 0.130 0.000 1.192 779 F CB 1.250 40.328 39.000 0.130 0.000 1.185 779 F HN -0.260 nan 8.300 nan 0.000 0.552 780 V N 3.739 123.799 119.914 0.243 0.000 2.506 780 V HA -0.126 3.995 4.120 0.002 0.000 0.296 780 V C 0.276 176.368 176.094 -0.004 0.000 1.004 780 V CA 0.494 62.849 62.300 0.092 0.000 1.150 780 V CB -0.575 31.283 31.823 0.058 0.000 0.911 780 V HN 0.847 nan 8.190 nan 0.000 0.476 781 D N 2.655 122.921 120.400 -0.224 0.000 3.018 781 D HA -0.206 4.435 4.640 0.002 0.000 0.224 781 D C 0.584 176.512 176.300 -0.620 0.000 1.185 781 D CA 1.835 55.415 54.000 -0.700 0.000 0.858 781 D CB -0.332 40.201 40.800 -0.444 0.000 1.112 781 D HN 0.941 nan 8.370 nan 0.000 0.415 782 R N -3.263 117.288 120.500 0.084 0.000 2.795 782 R HA 0.690 5.032 4.340 0.002 0.000 0.268 782 R C 0.728 177.496 176.300 0.780 0.000 1.041 782 R CA -0.798 55.623 56.100 0.535 0.000 0.927 782 R CB 0.482 30.946 30.300 0.273 0.000 1.235 782 R HN -0.215 nan 8.270 nan 0.000 0.463 783 T N -0.343 114.586 114.554 0.624 0.000 3.021 783 T HA 0.307 4.658 4.350 0.002 0.000 0.245 783 T C 0.612 175.735 174.700 0.705 0.000 1.028 783 T CA 0.348 62.812 62.100 0.606 0.000 1.139 783 T CB 0.068 69.270 68.868 0.557 0.000 0.884 783 T HN 0.238 nan 8.240 nan 0.000 0.457 784 L N 0.306 121.812 121.223 0.471 0.000 2.327 784 L HA 0.415 4.756 4.340 0.002 0.000 0.258 784 L C -2.246 174.264 176.870 -0.600 0.000 1.024 784 L CA -2.563 52.199 54.840 -0.130 0.000 0.825 784 L CB 2.374 44.446 42.059 0.020 0.000 1.386 784 L HN -0.221 nan 8.230 nan 0.000 0.417 785 P HA 0.008 nan 4.420 nan 0.000 0.249 785 P C 0.555 177.480 177.300 -0.625 0.000 1.229 785 P CA 0.642 63.255 63.100 -0.813 0.000 0.788 785 P CB 0.014 31.229 31.700 -0.809 0.000 1.072 786 H N -1.665 117.174 119.070 -0.385 0.000 2.539 786 H HA 0.208 4.765 4.556 0.002 0.000 0.267 786 H C 0.426 175.532 175.328 -0.369 0.000 0.982 786 H CA 0.184 56.001 56.048 -0.384 0.000 1.146 786 H CB -0.296 29.168 29.762 -0.497 0.000 1.382 786 H HN 0.229 nan 8.280 nan 0.000 0.577 787 F N 0.709 120.675 119.950 0.026 0.000 2.523 787 F HA 0.301 4.829 4.527 0.002 0.000 0.329 787 F C 0.614 176.419 175.800 0.009 0.000 1.061 787 F CA -1.242 56.790 58.000 0.054 0.000 0.967 787 F CB 1.507 40.572 39.000 0.108 0.000 1.218 787 F HN -0.194 nan 8.300 nan 0.000 0.480 788 S N 0.873 116.742 115.700 0.281 0.000 2.586 788 S HA 0.283 4.755 4.470 0.002 0.000 0.274 788 S C -0.460 174.187 174.600 0.080 0.000 1.281 788 S CA -1.106 57.170 58.200 0.126 0.000 1.035 788 S CB 0.988 64.243 63.200 0.093 0.000 0.962 788 S HN 0.405 nan 8.310 nan 0.000 0.512 789 K N 1.559 121.968 120.400 0.015 0.000 2.414 789 K HA 0.026 4.348 4.320 0.002 0.000 0.272 789 K C -0.216 176.317 176.600 -0.112 0.000 0.993 789 K CA 0.174 56.421 56.287 -0.067 0.000 0.964 789 K CB 0.062 32.515 32.500 -0.077 0.000 0.925 789 K HN 0.616 nan 8.250 nan 0.000 0.487 790 D N 1.210 121.449 120.400 -0.268 0.000 2.907 790 D HA -0.164 4.477 4.640 0.002 0.000 0.226 790 D C -0.808 175.393 176.300 -0.164 0.000 1.141 790 D CA 0.973 54.814 54.000 -0.265 0.000 0.779 790 D CB -0.675 40.069 40.800 -0.092 0.000 1.095 790 D HN 0.547 nan 8.370 nan 0.000 0.430 791 D N -0.477 119.828 120.400 -0.157 0.000 2.412 791 D HA 0.227 4.869 4.640 0.002 0.000 0.224 791 D C 0.379 176.625 176.300 -0.091 0.000 1.093 791 D CA -0.353 53.603 54.000 -0.073 0.000 0.850 791 D CB 0.220 40.965 40.800 -0.090 0.000 1.046 791 D HN 0.118 nan 8.370 nan 0.000 0.507 792 Y N 1.109 121.494 120.300 0.142 0.000 2.449 792 Y HA 0.081 4.632 4.550 0.002 0.000 0.254 792 Y C 1.491 177.453 175.900 0.103 0.000 1.140 792 Y CA -0.350 57.859 58.100 0.182 0.000 1.272 792 Y CB 0.382 39.021 38.460 0.299 0.000 1.114 792 Y HN 0.279 nan 8.280 nan 0.000 0.525 793 S N 1.387 117.184 115.700 0.162 0.000 2.589 793 S HA 0.054 4.525 4.470 0.002 0.000 0.265 793 S C -1.534 173.059 174.600 -0.012 0.000 1.342 793 S CA -1.085 57.161 58.200 0.077 0.000 1.005 793 S CB 0.846 64.079 63.200 0.055 0.000 0.909 793 S HN 0.026 nan 8.310 nan 0.000 0.555 794 P HA -0.183 nan 4.420 nan 0.000 0.216 794 P C 1.427 178.772 177.300 0.074 0.000 1.153 794 P CA 1.428 64.522 63.100 -0.011 0.000 0.848 794 P CB -0.184 31.418 31.700 -0.165 0.000 0.787 795 E N 0.200 120.445 120.200 0.075 0.000 2.209 795 E HA -0.153 4.199 4.350 0.002 0.000 0.196 795 E C 1.898 178.554 176.600 0.093 0.000 0.993 795 E CA 1.450 57.944 56.400 0.158 0.000 0.819 795 E CB -0.851 28.945 29.700 0.161 0.000 0.745 795 E HN 0.227 nan 8.360 nan 0.000 0.477 796 S N 0.104 115.667 115.700 -0.229 0.000 2.517 796 S HA 0.078 4.550 4.470 0.002 0.000 0.214 796 S C 1.114 175.450 174.600 -0.440 0.000 0.991 796 S CA -0.234 57.537 58.200 -0.715 0.000 0.906 796 S CB 0.196 62.813 63.200 -0.972 0.000 0.789 796 S HN 0.147 nan 8.310 nan 0.000 0.513 797 K N 0.456 120.647 120.400 -0.349 0.000 2.676 797 K HA 0.329 4.651 4.320 0.002 0.000 0.205 797 K C 0.548 176.881 176.600 -0.445 0.000 1.084 797 K CA 0.330 56.369 56.287 -0.414 0.000 1.057 797 K CB 0.894 33.239 32.500 -0.258 0.000 0.791 797 K HN 0.330 nan 8.250 nan 0.000 0.484 798 G N 1.521 109.956 108.800 -0.609 0.000 2.163 798 G HA2 -0.263 3.698 3.960 0.002 0.000 0.213 798 G HA3 -0.263 3.698 3.960 0.002 0.000 0.213 798 G C -0.281 174.567 174.900 -0.086 0.000 0.991 798 G CA -0.620 44.152 45.100 -0.548 0.000 0.653 798 G HN 0.341 nan 8.290 nan 0.000 0.518 799 F N 2.336 122.232 119.950 -0.091 0.000 2.502 799 F HA 0.493 5.022 4.527 0.002 0.000 0.371 799 F C 0.779 176.612 175.800 0.055 0.000 1.083 799 F CA -0.294 57.698 58.000 -0.014 0.000 1.174 799 F CB 0.983 39.973 39.000 -0.017 0.000 1.096 799 F HN 0.024 nan 8.300 nan 0.000 0.545 800 V N 7.581 127.217 119.914 -0.463 0.000 2.372 800 V HA 0.059 4.180 4.120 0.002 0.000 0.261 800 V C 1.113 176.967 176.094 -0.400 0.000 1.055 800 V CA -0.327 61.800 62.300 -0.288 0.000 0.930 800 V CB 0.919 32.560 31.823 -0.302 0.000 1.031 800 V HN 0.803 nan 8.190 nan 0.000 0.479 801 E N 3.436 123.634 120.200 -0.004 0.000 2.107 801 E HA -0.070 4.281 4.350 0.002 0.000 0.191 801 E C 0.729 177.346 176.600 0.028 0.000 0.982 801 E CA 0.630 57.140 56.400 0.182 0.000 0.809 801 E CB 0.338 30.172 29.700 0.222 0.000 0.756 801 E HN 0.683 nan 8.360 nan 0.000 0.459 802 N N 0.531 119.200 118.700 -0.051 0.000 2.434 802 N HA 0.065 4.807 4.740 0.002 0.000 0.266 802 N C -0.030 175.386 175.510 -0.157 0.000 1.223 802 N CA -0.001 53.005 53.050 -0.074 0.000 0.972 802 N CB 1.354 39.803 38.487 -0.063 0.000 1.207 802 N HN -0.027 nan 8.380 nan 0.000 0.525 803 S N -0.257 115.371 115.700 -0.121 0.000 2.671 803 S HA 0.237 4.708 4.470 0.002 0.000 0.272 803 S C 1.011 175.502 174.600 -0.181 0.000 1.174 803 S CA -0.390 57.732 58.200 -0.131 0.000 1.004 803 S CB 0.227 63.406 63.200 -0.035 0.000 1.077 803 S HN 0.531 nan 8.310 nan 0.000 0.553 804 Y N -0.307 119.947 120.300 -0.076 0.000 2.337 804 Y HA 0.039 4.591 4.550 0.002 0.000 0.293 804 Y C 2.260 178.125 175.900 -0.059 0.000 1.123 804 Y CA 0.502 58.559 58.100 -0.070 0.000 1.201 804 Y CB -0.061 38.359 38.460 -0.066 0.000 1.011 804 Y HN 0.418 nan 8.280 nan 0.000 0.545 805 L N 0.831 122.113 121.223 0.100 0.000 2.005 805 L HA -0.190 4.151 4.340 0.002 0.000 0.207 805 L C 1.994 178.870 176.870 0.011 0.000 1.072 805 L CA 1.936 56.801 54.840 0.042 0.000 0.744 805 L CB -0.718 41.356 42.059 0.025 0.000 0.895 805 L HN 0.212 nan 8.230 nan 0.000 0.433 806 R N -0.014 120.483 120.500 -0.005 0.000 2.081 806 R HA 0.065 4.406 4.340 0.002 0.000 0.235 806 R C 0.633 176.917 176.300 -0.027 0.000 1.131 806 R CA 0.774 56.864 56.100 -0.017 0.000 0.960 806 R CB -0.418 29.869 30.300 -0.021 0.000 0.856 806 R HN 0.585 nan 8.270 nan 0.000 0.436 807 G N 0.270 109.041 108.800 -0.047 0.000 3.226 807 G HA2 -0.078 3.883 3.960 0.002 0.000 0.685 807 G HA3 -0.078 3.883 3.960 0.002 0.000 0.685 807 G C -0.883 173.965 174.900 -0.086 0.000 1.207 807 G CA -1.098 43.964 45.100 -0.064 0.000 0.877 807 G HN -0.007 nan 8.290 nan 0.000 0.585 808 L N 1.214 122.364 121.223 -0.123 0.000 2.461 808 L HA 0.658 5.000 4.340 0.002 0.000 0.259 808 L C 1.757 178.603 176.870 -0.040 0.000 1.248 808 L CA 1.012 55.794 54.840 -0.096 0.000 0.823 808 L CB 0.597 42.594 42.059 -0.103 0.000 1.111 808 L HN 1.063 nan 8.230 nan 0.000 0.516 809 T N -2.340 112.221 114.554 0.011 0.000 2.942 809 T HA 0.497 4.849 4.350 0.002 0.000 0.289 809 T C -2.099 172.633 174.700 0.053 0.000 1.044 809 T CA -1.831 60.282 62.100 0.020 0.000 1.023 809 T CB 1.545 70.424 68.868 0.018 0.000 1.123 809 T HN 0.347 nan 8.240 nan 0.000 0.512 810 P HA -0.306 nan 4.420 nan 0.000 0.214 810 P C 1.441 178.713 177.300 -0.047 0.000 1.099 810 P CA 1.674 64.771 63.100 -0.005 0.000 0.976 810 P CB -0.046 31.576 31.700 -0.131 0.000 0.774 811 Q N -0.175 119.523 119.800 -0.169 0.000 2.029 811 Q HA -0.220 4.121 4.340 0.002 0.000 0.209 811 Q C 2.308 178.013 176.000 -0.491 0.000 0.999 811 Q CA 2.060 57.624 55.803 -0.397 0.000 0.857 811 Q CB -0.840 27.801 28.738 -0.161 0.000 0.926 811 Q HN 0.461 nan 8.270 nan 0.000 0.415 812 E N -0.278 119.905 120.200 -0.029 0.000 2.048 812 E HA -0.237 4.114 4.350 0.002 0.000 0.202 812 E C 1.796 178.530 176.600 0.224 0.000 1.021 812 E CA 1.203 57.712 56.400 0.181 0.000 0.825 812 E CB -0.386 29.396 29.700 0.137 0.000 0.756 812 E HN 0.226 nan 8.360 nan 0.000 0.454 813 F N 1.432 121.389 119.950 0.011 0.000 2.027 813 F HA -0.286 4.242 4.527 0.002 0.000 0.297 813 F C 2.201 178.046 175.800 0.076 0.000 1.129 813 F CA 1.493 59.531 58.000 0.063 0.000 1.195 813 F CB -1.027 38.001 39.000 0.047 0.000 0.960 813 F HN -0.000 nan 8.300 nan 0.000 0.485 814 F N 0.150 119.997 119.950 -0.171 0.000 2.202 814 F HA -0.216 4.312 4.527 0.002 0.000 0.301 814 F C 2.148 177.887 175.800 -0.101 0.000 1.082 814 F CA 1.233 59.038 58.000 -0.324 0.000 1.313 814 F CB -1.050 37.750 39.000 -0.334 0.000 1.024 814 F HN 0.031 nan 8.300 nan 0.000 0.495 815 F N -1.041 118.907 119.950 -0.004 0.000 2.031 815 F HA -0.252 4.277 4.527 0.002 0.000 0.295 815 F C 2.729 178.495 175.800 -0.057 0.000 1.133 815 F CA 1.316 59.267 58.000 -0.081 0.000 1.188 815 F CB -1.107 37.930 39.000 0.063 0.000 0.974 815 F HN -0.007 nan 8.300 nan 0.000 0.473 816 H N 0.798 119.987 119.070 0.199 0.000 2.431 816 H HA -0.202 4.355 4.556 0.002 0.000 0.297 816 H C 1.908 177.284 175.328 0.079 0.000 1.115 816 H CA 1.251 57.374 56.048 0.126 0.000 1.277 816 H CB -0.507 29.348 29.762 0.154 0.000 1.372 816 H HN 0.225 nan 8.280 nan 0.000 0.516 817 A N 0.564 123.334 122.820 -0.083 0.000 1.865 817 A HA -0.208 4.113 4.320 0.002 0.000 0.217 817 A C 2.670 180.114 177.584 -0.233 0.000 1.191 817 A CA 1.946 53.840 52.037 -0.239 0.000 0.623 817 A CB -0.836 17.932 19.000 -0.385 0.000 0.826 817 A HN 0.525 nan 8.150 nan 0.000 0.444 818 M N -0.510 118.905 119.600 -0.308 0.000 2.108 818 M HA -0.181 4.300 4.480 0.002 0.000 0.257 818 M C 2.238 178.473 176.300 -0.108 0.000 1.071 818 M CA 1.616 56.767 55.300 -0.249 0.000 1.093 818 M CB -0.724 31.726 32.600 -0.249 0.000 1.345 818 M HN 0.557 nan 8.290 nan 0.000 0.403 819 G N -0.397 108.377 108.800 -0.043 0.000 2.556 819 G HA2 -0.101 3.861 3.960 0.002 0.000 0.215 819 G HA3 -0.101 3.861 3.960 0.002 0.000 0.215 819 G C 1.472 176.370 174.900 -0.003 0.000 1.258 819 G CA 0.838 45.944 45.100 0.010 0.000 0.811 819 G HN 0.539 nan 8.290 nan 0.000 0.557 820 G N 0.842 109.634 108.800 -0.014 0.000 2.661 820 G HA2 -0.392 3.569 3.960 0.002 0.000 0.224 820 G HA3 -0.392 3.569 3.960 0.002 0.000 0.224 820 G C 1.862 176.743 174.900 -0.031 0.000 1.114 820 G CA 1.751 46.831 45.100 -0.032 0.000 0.751 820 G HN 0.527 nan 8.290 nan 0.000 0.609 821 R N 0.711 121.179 120.500 -0.053 0.000 2.094 821 R HA -0.110 4.231 4.340 0.002 0.000 0.239 821 R C 2.412 178.699 176.300 -0.023 0.000 1.137 821 R CA 2.215 58.291 56.100 -0.041 0.000 0.943 821 R CB -0.805 29.461 30.300 -0.057 0.000 0.850 821 R HN 0.530 nan 8.270 nan 0.000 0.433 822 E N -1.090 119.098 120.200 -0.020 0.000 2.130 822 E HA -0.184 4.167 4.350 0.002 0.000 0.196 822 E C 1.761 178.359 176.600 -0.002 0.000 0.998 822 E CA 1.330 57.724 56.400 -0.009 0.000 0.806 822 E CB -0.424 29.273 29.700 -0.006 0.000 0.738 822 E HN 0.606 nan 8.360 nan 0.000 0.459 823 G N 1.331 110.133 108.800 0.002 0.000 2.545 823 G HA2 -0.296 3.665 3.960 0.002 0.000 0.217 823 G HA3 -0.296 3.665 3.960 0.002 0.000 0.217 823 G C 1.547 176.449 174.900 0.003 0.000 1.218 823 G CA 1.205 46.309 45.100 0.008 0.000 0.787 823 G HN 0.205 nan 8.290 nan 0.000 0.571 824 L N 0.456 121.678 121.223 -0.001 0.000 2.042 824 L HA -0.132 4.210 4.340 0.002 0.000 0.210 824 L C 2.869 179.738 176.870 -0.003 0.000 1.076 824 L CA 0.563 55.401 54.840 -0.003 0.000 0.749 824 L CB -0.585 41.471 42.059 -0.005 0.000 0.893 824 L HN 0.134 nan 8.230 nan 0.000 0.432 825 I N 0.630 121.197 120.570 -0.005 0.000 2.069 825 I HA -0.311 3.860 4.170 0.002 0.000 0.237 825 I C 2.393 178.509 176.117 -0.002 0.000 1.053 825 I CA 1.889 63.187 61.300 -0.005 0.000 1.311 825 I CB -1.424 36.572 38.000 -0.006 0.000 1.030 825 I HN 0.430 nan 8.210 nan 0.000 0.398 826 D N 0.698 121.097 120.400 -0.000 0.000 2.117 826 D HA -0.170 4.472 4.640 0.002 0.000 0.197 826 D C 2.002 178.303 176.300 0.001 0.000 0.987 826 D CA 1.981 55.982 54.000 0.002 0.000 0.829 826 D CB -1.117 39.686 40.800 0.004 0.000 0.961 826 D HN 0.441 nan 8.370 nan 0.000 0.460 827 T N -0.685 113.869 114.554 0.001 0.000 2.869 827 T HA -0.055 4.296 4.350 0.002 0.000 0.270 827 T C 1.859 176.558 174.700 -0.002 0.000 1.082 827 T CA 1.286 63.386 62.100 -0.000 0.000 1.123 827 T CB -0.386 68.482 68.868 -0.001 0.000 0.856 827 T HN 0.237 nan 8.240 nan 0.000 0.499 828 A N -0.441 122.378 122.820 -0.002 0.000 2.278 828 A HA 0.644 4.965 4.320 0.002 0.000 0.212 828 A C 1.779 179.360 177.584 -0.004 0.000 1.213 828 A CA 0.246 52.281 52.037 -0.004 0.000 0.840 828 A CB 0.102 19.099 19.000 -0.005 0.000 0.866 828 A HN 0.491 nan 8.150 nan 0.000 0.489 829 V N -1.896 118.017 119.914 -0.002 0.000 3.758 829 V HA 0.050 4.171 4.120 0.002 0.000 0.266 829 V C 1.508 177.606 176.094 0.006 0.000 1.759 829 V CA 0.889 63.188 62.300 -0.001 0.000 1.151 829 V CB 0.030 31.851 31.823 -0.004 0.000 0.966 829 V HN 0.506 nan 8.190 nan 0.000 0.361 830 K N 0.004 120.408 120.400 0.006 0.000 2.217 830 K HA -0.071 4.251 4.320 0.002 0.000 0.202 830 K C 1.796 178.404 176.600 0.012 0.000 1.051 830 K CA 2.160 58.453 56.287 0.010 0.000 0.952 830 K CB 0.003 32.507 32.500 0.007 0.000 0.736 830 K HN 0.395 nan 8.250 nan 0.000 0.453 831 T N -0.847 113.712 114.554 0.008 0.000 2.937 831 T HA 0.125 4.477 4.350 0.002 0.000 0.260 831 T C 1.629 176.339 174.700 0.017 0.000 1.051 831 T CA 0.951 63.055 62.100 0.008 0.000 1.141 831 T CB -0.164 68.705 68.868 0.001 0.000 0.879 831 T HN 0.357 nan 8.240 nan 0.000 0.459 832 A N 0.698 123.527 122.820 0.015 0.000 1.969 832 A HA -0.010 4.311 4.320 0.002 0.000 0.218 832 A C 2.115 179.727 177.584 0.045 0.000 1.169 832 A CA 1.665 53.712 52.037 0.018 0.000 0.635 832 A CB -0.446 18.551 19.000 -0.004 0.000 0.810 832 A HN 0.619 nan 8.150 nan 0.000 0.445 833 E N -0.935 119.295 120.200 0.050 0.000 2.028 833 E HA -0.094 4.257 4.350 0.002 0.000 0.190 833 E C 2.105 178.769 176.600 0.107 0.000 0.984 833 E CA 1.422 57.876 56.400 0.090 0.000 0.800 833 E CB -0.184 29.557 29.700 0.067 0.000 0.758 833 E HN 0.540 nan 8.360 nan 0.000 0.448 834 T N -0.021 114.568 114.554 0.058 0.000 2.620 834 T HA -0.239 4.113 4.350 0.002 0.000 0.267 834 T C 1.783 176.511 174.700 0.046 0.000 1.044 834 T CA 1.513 63.634 62.100 0.035 0.000 1.161 834 T CB -0.730 68.143 68.868 0.009 0.000 0.862 834 T HN 0.400 nan 8.240 nan 0.000 0.438 835 G N -0.829 108.007 108.800 0.060 0.000 2.509 835 G HA2 -0.170 3.792 3.960 0.002 0.000 0.218 835 G HA3 -0.170 3.792 3.960 0.002 0.000 0.218 835 G C 1.309 176.296 174.900 0.145 0.000 1.124 835 G CA 0.358 45.499 45.100 0.068 0.000 0.776 835 G HN 0.498 nan 8.290 nan 0.000 0.547 836 Y N 1.354 121.662 120.300 0.014 0.000 2.206 836 Y HA 0.008 4.559 4.550 0.002 0.000 0.292 836 Y C 2.572 178.505 175.900 0.055 0.000 1.123 836 Y CA 0.025 58.147 58.100 0.036 0.000 1.142 836 Y CB -0.221 38.259 38.460 0.033 0.000 1.006 836 Y HN 0.060 nan 8.280 nan 0.000 0.518 837 I N 0.691 121.274 120.570 0.022 0.000 2.087 837 I HA -0.400 3.771 4.170 0.002 0.000 0.240 837 I C 2.518 178.573 176.117 -0.103 0.000 1.054 837 I CA 1.909 63.158 61.300 -0.084 0.000 1.311 837 I CB -1.538 36.446 38.000 -0.026 0.000 1.024 837 I HN 0.350 nan 8.210 nan 0.000 0.402 838 Q N 0.929 120.695 119.800 -0.057 0.000 2.045 838 Q HA -0.243 4.099 4.340 0.002 0.000 0.206 838 Q C 2.461 178.417 176.000 -0.075 0.000 0.991 838 Q CA 1.835 57.593 55.803 -0.075 0.000 0.851 838 Q CB -0.171 28.529 28.738 -0.064 0.000 0.911 838 Q HN 0.425 nan 8.270 nan 0.000 0.418 839 R N -0.259 120.228 120.500 -0.021 0.000 2.103 839 R HA -0.159 4.182 4.340 0.002 0.000 0.242 839 R C 2.481 178.792 176.300 0.019 0.000 1.142 839 R CA 1.683 57.804 56.100 0.034 0.000 0.960 839 R CB -0.041 30.342 30.300 0.138 0.000 0.858 839 R HN 0.175 nan 8.270 nan 0.000 0.439 840 R N 0.201 120.664 120.500 -0.060 0.000 2.061 840 R HA -0.066 4.275 4.340 0.002 0.000 0.230 840 R C 2.383 178.505 176.300 -0.295 0.000 1.140 840 R CA 1.255 57.282 56.100 -0.121 0.000 0.940 840 R CB -0.480 29.735 30.300 -0.141 0.000 0.839 840 R HN 0.158 nan 8.270 nan 0.000 0.429 841 L N 0.125 121.205 121.223 -0.239 0.000 2.034 841 L HA -0.311 4.031 4.340 0.002 0.000 0.217 841 L C 2.295 178.995 176.870 -0.283 0.000 1.077 841 L CA 1.459 56.143 54.840 -0.259 0.000 0.769 841 L CB -0.456 41.496 42.059 -0.180 0.000 0.890 841 L HN 0.145 nan 8.230 nan 0.000 0.435 842 V N -0.930 118.855 119.914 -0.215 0.000 2.379 842 V HA -0.214 3.908 4.120 0.002 0.000 0.245 842 V C 2.408 178.365 176.094 -0.229 0.000 1.044 842 V CA 1.389 63.577 62.300 -0.186 0.000 1.036 842 V CB -0.414 31.341 31.823 -0.114 0.000 0.664 842 V HN 0.319 nan 8.190 nan 0.000 0.453 843 K N 0.050 120.295 120.400 -0.259 0.000 2.442 843 K HA 0.069 4.390 4.320 0.002 0.000 0.198 843 K C 1.842 178.168 176.600 -0.457 0.000 1.042 843 K CA 1.135 57.259 56.287 -0.273 0.000 0.958 843 K CB -0.171 32.170 32.500 -0.265 0.000 0.766 843 K HN 0.494 nan 8.250 nan 0.000 0.474 844 A N -0.276 122.081 122.820 -0.771 0.000 2.063 844 A HA 0.110 4.432 4.320 0.002 0.000 0.211 844 A C 1.871 179.117 177.584 -0.564 0.000 1.177 844 A CA 0.220 51.556 52.037 -1.169 0.000 0.759 844 A CB 0.078 17.801 19.000 -2.128 0.000 0.857 844 A HN 0.193 nan 8.150 nan 0.000 0.468 845 L N -2.008 118.981 121.223 -0.389 0.000 2.425 845 L HA 0.200 4.541 4.340 0.002 0.000 0.215 845 L C 1.692 178.460 176.870 -0.170 0.000 1.065 845 L CA 0.801 55.496 54.840 -0.241 0.000 0.842 845 L CB -0.551 41.387 42.059 -0.201 0.000 1.033 845 L HN 0.485 nan 8.230 nan 0.000 0.474 846 E N 1.793 121.890 120.200 -0.171 0.000 3.385 846 E HA -0.419 3.932 4.350 0.002 0.000 0.248 846 E C 0.855 177.402 176.600 -0.089 0.000 1.077 846 E CA 2.680 59.008 56.400 -0.119 0.000 1.827 846 E CB -0.748 28.888 29.700 -0.107 0.000 1.724 846 E HN 0.761 nan 8.360 nan 0.000 0.326 847 D N 0.335 120.689 120.400 -0.077 0.000 2.370 847 D HA 0.022 4.663 4.640 0.002 0.000 0.230 847 D C 0.286 176.548 176.300 -0.063 0.000 1.143 847 D CA 0.045 54.009 54.000 -0.059 0.000 0.834 847 D CB -0.154 40.625 40.800 -0.035 0.000 0.944 847 D HN 0.156 nan 8.370 nan 0.000 0.504 848 I N 1.809 122.336 120.570 -0.071 0.000 2.325 848 I HA 0.275 4.446 4.170 0.002 0.000 0.291 848 I C 0.418 176.492 176.117 -0.073 0.000 1.019 848 I CA -0.337 60.925 61.300 -0.064 0.000 1.302 848 I CB 0.844 38.809 38.000 -0.058 0.000 1.401 848 I HN 0.104 nan 8.210 nan 0.000 0.485 849 M N 5.510 125.038 119.600 -0.120 0.000 2.322 849 M HA 0.505 4.987 4.480 0.002 0.000 0.286 849 M C -1.201 174.958 176.300 -0.236 0.000 1.111 849 M CA -0.784 54.414 55.300 -0.170 0.000 0.941 849 M CB 1.911 34.379 32.600 -0.220 0.000 1.671 849 M HN 0.039 nan 8.290 nan 0.000 0.470 850 V N 3.925 123.751 119.914 -0.146 0.000 2.720 850 V HA 0.021 4.142 4.120 0.002 0.000 0.307 850 V C 0.627 176.593 176.094 -0.213 0.000 1.071 850 V CA 0.585 62.817 62.300 -0.112 0.000 1.199 850 V CB -0.640 31.119 31.823 -0.107 0.000 0.900 850 V HN 0.792 nan 8.190 nan 0.000 0.494 851 H N 2.689 121.743 119.070 -0.026 0.000 2.669 851 H HA 0.288 4.845 4.556 0.002 0.000 0.318 851 H C -0.011 175.289 175.328 -0.047 0.000 1.429 851 H CA -0.515 55.528 56.048 -0.010 0.000 1.460 851 H CB 0.790 30.591 29.762 0.065 0.000 1.784 851 H HN 0.608 nan 8.280 nan 0.000 0.750 852 Y N 0.732 121.172 120.300 0.233 0.000 2.488 852 Y HA -0.081 4.470 4.550 0.002 0.000 0.319 852 Y C 0.761 176.715 175.900 0.091 0.000 1.212 852 Y CA 0.388 58.563 58.100 0.125 0.000 1.273 852 Y CB 0.004 38.531 38.460 0.111 0.000 1.074 852 Y HN 0.515 nan 8.280 nan 0.000 0.503 853 D N -3.397 117.123 120.400 0.201 0.000 2.503 853 D HA 0.035 4.677 4.640 0.002 0.000 0.218 853 D C 0.729 177.101 176.300 0.119 0.000 1.183 853 D CA -0.025 54.059 54.000 0.141 0.000 0.827 853 D CB -0.277 40.595 40.800 0.120 0.000 1.034 853 D HN 0.032 nan 8.370 nan 0.000 0.510 854 N N -0.847 117.917 118.700 0.106 0.000 2.972 854 N HA -0.192 4.549 4.740 0.002 0.000 0.225 854 N C -0.244 175.339 175.510 0.122 0.000 0.883 854 N CA 1.324 54.426 53.050 0.086 0.000 1.010 854 N CB -1.384 37.151 38.487 0.079 0.000 1.052 854 N HN 0.411 nan 8.380 nan 0.000 0.598 855 T N 0.260 114.903 114.554 0.149 0.000 2.795 855 T HA 0.210 4.561 4.350 0.002 0.000 0.314 855 T C 0.025 174.807 174.700 0.136 0.000 1.069 855 T CA 0.788 62.985 62.100 0.161 0.000 1.071 855 T CB 0.545 69.526 68.868 0.188 0.000 0.988 855 T HN 0.153 nan 8.240 nan 0.000 0.543 856 T N 5.443 120.049 114.554 0.086 0.000 2.893 856 T HA 0.524 4.876 4.350 0.002 0.000 0.324 856 T C -0.280 174.439 174.700 0.031 0.000 1.082 856 T CA -0.695 61.440 62.100 0.058 0.000 0.983 856 T CB 0.288 69.179 68.868 0.037 0.000 1.005 856 T HN 0.645 nan 8.240 nan 0.000 0.475 857 R N 2.114 122.665 120.500 0.084 0.000 2.846 857 R HA 0.585 4.926 4.340 0.002 0.000 0.263 857 R C 0.011 176.349 176.300 0.064 0.000 1.080 857 R CA -1.263 54.885 56.100 0.080 0.000 0.961 857 R CB 1.300 31.680 30.300 0.132 0.000 1.231 857 R HN 0.588 nan 8.270 nan 0.000 0.465 858 N N -0.647 118.086 118.700 0.055 0.000 2.669 858 N HA 0.102 4.843 4.740 0.002 0.000 0.306 858 N C 0.500 176.059 175.510 0.081 0.000 1.352 858 N CA -0.372 52.700 53.050 0.038 0.000 0.886 858 N CB 0.450 38.941 38.487 0.006 0.000 1.107 858 N HN 0.558 nan 8.380 nan 0.000 0.534 859 S N -0.659 115.071 115.700 0.050 0.000 2.501 859 S HA 0.102 4.573 4.470 0.002 0.000 0.220 859 S C 1.813 176.440 174.600 0.046 0.000 0.997 859 S CA -0.077 58.156 58.200 0.055 0.000 0.919 859 S CB -0.518 62.703 63.200 0.035 0.000 0.778 859 S HN 0.454 nan 8.310 nan 0.000 0.523 860 L N 1.055 122.301 121.223 0.037 0.000 2.395 860 L HA 0.248 4.589 4.340 0.002 0.000 0.218 860 L C 1.912 178.798 176.870 0.027 0.000 1.130 860 L CA 0.598 55.454 54.840 0.028 0.000 0.826 860 L CB -0.925 41.148 42.059 0.023 0.000 0.941 860 L HN 0.603 nan 8.230 nan 0.000 0.451 861 G N 0.377 109.202 108.800 0.042 0.000 2.136 861 G HA2 -0.237 3.724 3.960 0.002 0.000 0.242 861 G HA3 -0.237 3.724 3.960 0.002 0.000 0.242 861 G C -0.206 174.712 174.900 0.030 0.000 0.989 861 G CA -0.189 44.930 45.100 0.031 0.000 0.682 861 G HN 0.370 nan 8.290 nan 0.000 0.522 862 N N 0.535 119.251 118.700 0.027 0.000 2.422 862 N HA 0.429 5.170 4.740 0.002 0.000 0.264 862 N C 0.777 176.277 175.510 -0.015 0.000 1.063 862 N CA -0.306 52.751 53.050 0.011 0.000 0.959 862 N CB 1.746 40.236 38.487 0.004 0.000 1.087 862 N HN 0.157 nan 8.380 nan 0.000 0.483 863 V N 2.746 122.636 119.914 -0.040 0.000 2.953 863 V HA -0.082 4.039 4.120 0.002 0.000 0.304 863 V C 1.559 177.529 176.094 -0.207 0.000 1.138 863 V CA 0.649 62.855 62.300 -0.156 0.000 1.266 863 V CB 0.173 31.789 31.823 -0.345 0.000 0.923 863 V HN 0.572 nan 8.190 nan 0.000 0.505 864 I N 1.022 121.450 120.570 -0.237 0.000 4.228 864 I HA 0.266 4.437 4.170 0.002 0.000 0.298 864 I C 0.488 176.421 176.117 -0.307 0.000 1.206 864 I CA 0.493 61.656 61.300 -0.227 0.000 1.322 864 I CB -0.224 37.689 38.000 -0.145 0.000 1.411 864 I HN 0.570 nan 8.210 nan 0.000 0.454 865 Q N 0.185 119.806 119.800 -0.298 0.000 2.347 865 Q HA 0.462 4.803 4.340 0.002 0.000 0.271 865 Q C -0.242 175.603 176.000 -0.258 0.000 1.064 865 Q CA -0.548 55.082 55.803 -0.288 0.000 0.800 865 Q CB 2.851 31.490 28.738 -0.166 0.000 1.304 865 Q HN 0.030 nan 8.270 nan 0.000 0.438 866 F N 0.909 120.869 119.950 0.017 0.000 2.325 866 F HA 0.054 4.582 4.527 0.002 0.000 0.299 866 F C 0.778 176.605 175.800 0.046 0.000 1.090 866 F CA 0.612 58.632 58.000 0.032 0.000 1.392 866 F CB 0.392 39.408 39.000 0.027 0.000 1.053 866 F HN 0.332 nan 8.300 nan 0.000 0.521 867 I N -2.114 118.571 120.570 0.192 0.000 2.582 867 I HA 0.197 4.369 4.170 0.002 0.000 0.292 867 I C -0.719 175.466 176.117 0.112 0.000 1.066 867 I CA -1.476 59.914 61.300 0.150 0.000 1.053 867 I CB 1.185 39.269 38.000 0.141 0.000 1.241 867 I HN -0.223 nan 8.210 nan 0.000 0.421 868 Y N 4.311 124.619 120.300 0.015 0.000 2.805 868 Y HA 0.198 4.750 4.550 0.002 0.000 0.337 868 Y C 1.535 177.428 175.900 -0.012 0.000 1.252 868 Y CA 1.298 59.387 58.100 -0.018 0.000 1.515 868 Y CB 0.692 39.134 38.460 -0.029 0.000 1.305 868 Y HN 0.898 nan 8.280 nan 0.000 0.600 869 G N 4.969 113.323 108.800 -0.743 0.000 2.449 869 G HA2 -0.371 3.590 3.960 0.002 0.000 0.304 869 G HA3 -0.371 3.590 3.960 0.002 0.000 0.304 869 G C 0.394 175.251 174.900 -0.072 0.000 0.962 869 G CA 0.884 45.694 45.100 -0.484 0.000 0.943 869 G HN 1.009 nan 8.290 nan 0.000 0.514 870 E N -1.818 118.364 120.200 -0.030 0.000 3.547 870 E HA -0.318 4.033 4.350 0.002 0.000 0.300 870 E C 0.695 177.353 176.600 0.096 0.000 0.857 870 E CA 1.484 57.922 56.400 0.065 0.000 1.039 870 E CB -0.969 28.800 29.700 0.116 0.000 1.524 870 E HN 1.004 nan 8.360 nan 0.000 0.457 871 D N -1.535 118.928 120.400 0.105 0.000 2.682 871 D HA 0.129 4.770 4.640 0.002 0.000 0.291 871 D C 0.822 177.192 176.300 0.118 0.000 1.585 871 D CA 0.390 54.461 54.000 0.118 0.000 0.845 871 D CB -0.594 40.274 40.800 0.114 0.000 1.323 871 D HN 0.239 nan 8.370 nan 0.000 0.438 872 G N 1.169 110.059 108.800 0.150 0.000 2.379 872 G HA2 -0.291 3.670 3.960 0.002 0.000 0.297 872 G HA3 -0.291 3.670 3.960 0.002 0.000 0.297 872 G C -0.131 174.804 174.900 0.059 0.000 1.004 872 G CA 0.960 46.142 45.100 0.136 0.000 0.921 872 G HN 0.426 nan 8.290 nan 0.000 0.511 873 M N 0.563 120.208 119.600 0.076 0.000 2.311 873 M HA 0.426 4.908 4.480 0.002 0.000 0.325 873 M C -0.304 175.990 176.300 -0.011 0.000 1.061 873 M CA -1.301 53.969 55.300 -0.049 0.000 0.957 873 M CB 1.623 34.168 32.600 -0.092 0.000 1.646 873 M HN 0.176 nan 8.290 nan 0.000 0.434 874 D N 2.880 123.208 120.400 -0.119 0.000 2.351 874 D HA 0.273 4.914 4.640 0.002 0.000 0.251 874 D C 0.676 177.005 176.300 0.048 0.000 1.137 874 D CA 0.241 54.181 54.000 -0.099 0.000 0.879 874 D CB 1.569 42.291 40.800 -0.130 0.000 1.181 874 D HN 0.782 nan 8.370 nan 0.000 0.448 875 A N 4.362 127.219 122.820 0.061 0.000 1.986 875 A HA -0.173 4.149 4.320 0.002 0.000 0.220 875 A C 2.143 179.773 177.584 0.078 0.000 1.171 875 A CA 2.225 54.307 52.037 0.074 0.000 0.640 875 A CB -0.646 18.382 19.000 0.047 0.000 0.811 875 A HN 0.721 nan 8.150 nan 0.000 0.451 876 A N -0.569 122.297 122.820 0.077 0.000 1.873 876 A HA -0.247 4.074 4.320 0.002 0.000 0.218 876 A C 1.947 179.501 177.584 -0.051 0.000 1.193 876 A CA 1.622 53.628 52.037 -0.051 0.000 0.629 876 A CB -1.075 17.794 19.000 -0.219 0.000 0.826 876 A HN 0.765 nan 8.150 nan 0.000 0.447 877 H N -1.204 117.850 119.070 -0.026 0.000 2.547 877 H HA 0.180 4.737 4.556 0.002 0.000 0.272 877 H C 0.095 175.422 175.328 -0.001 0.000 0.989 877 H CA 0.212 56.246 56.048 -0.023 0.000 1.214 877 H CB -0.070 29.640 29.762 -0.087 0.000 1.389 877 H HN 0.385 nan 8.280 nan 0.000 0.577 878 I N 2.825 123.470 120.570 0.126 0.000 2.474 878 I HA 0.043 4.214 4.170 0.002 0.000 0.287 878 I C 0.217 176.421 176.117 0.144 0.000 1.048 878 I CA 0.111 61.471 61.300 0.100 0.000 1.383 878 I CB 0.998 39.058 38.000 0.100 0.000 1.412 878 I HN 0.248 nan 8.210 nan 0.000 0.531 879 E N 4.999 125.271 120.200 0.120 0.000 2.429 879 E HA 0.331 4.683 4.350 0.002 0.000 0.276 879 E C -1.256 175.418 176.600 0.124 0.000 0.953 879 E CA -1.297 55.180 56.400 0.128 0.000 0.787 879 E CB 1.429 31.131 29.700 0.003 0.000 1.307 879 E HN 0.444 nan 8.360 nan 0.000 0.458 880 K N 1.923 122.394 120.400 0.118 0.000 2.278 880 K HA 0.081 4.402 4.320 0.002 0.000 0.289 880 K C -0.765 175.876 176.600 0.067 0.000 1.080 880 K CA -0.074 56.271 56.287 0.096 0.000 0.934 880 K CB 0.346 32.884 32.500 0.062 0.000 1.093 880 K HN 0.416 nan 8.250 nan 0.000 0.459 881 Q N 2.623 122.481 119.800 0.095 0.000 2.316 881 Q HA 0.137 4.478 4.340 0.002 0.000 0.264 881 Q C -0.571 175.474 176.000 0.075 0.000 0.987 881 Q CA -0.883 54.969 55.803 0.082 0.000 0.852 881 Q CB 1.780 30.582 28.738 0.107 0.000 1.287 881 Q HN 0.777 nan 8.270 nan 0.000 0.448 882 S N 2.984 118.711 115.700 0.045 0.000 2.481 882 S HA 0.152 4.623 4.470 0.002 0.000 0.282 882 S C 0.243 174.860 174.600 0.029 0.000 1.243 882 S CA -0.545 57.672 58.200 0.028 0.000 1.078 882 S CB -0.017 63.190 63.200 0.011 0.000 0.916 882 S HN 0.589 nan 8.310 nan 0.000 0.495 883 L N 3.907 125.139 121.223 0.014 0.000 2.391 883 L HA 0.159 4.501 4.340 0.002 0.000 0.249 883 L C 0.569 177.416 176.870 -0.039 0.000 1.308 883 L CA -0.491 54.332 54.840 -0.027 0.000 1.209 883 L CB -0.585 41.412 42.059 -0.104 0.000 1.401 883 L HN 0.756 nan 8.230 nan 0.000 0.416 884 D N -1.343 119.047 120.400 -0.017 0.000 2.395 884 D HA -0.067 4.574 4.640 0.002 0.000 0.250 884 D C 1.183 177.429 176.300 -0.090 0.000 1.203 884 D CA -0.089 53.894 54.000 -0.029 0.000 0.872 884 D CB -0.168 40.633 40.800 0.001 0.000 0.941 884 D HN 0.282 nan 8.370 nan 0.000 0.504 885 T N -0.660 113.821 114.554 -0.120 0.000 3.067 885 T HA 0.043 4.395 4.350 0.002 0.000 0.261 885 T C 1.822 176.480 174.700 -0.071 0.000 1.110 885 T CA -0.060 61.916 62.100 -0.206 0.000 1.113 885 T CB 0.406 69.188 68.868 -0.143 0.000 0.917 885 T HN 0.174 nan 8.240 nan 0.000 0.499 886 I N 1.470 122.017 120.570 -0.038 0.000 2.188 886 I HA 0.112 4.283 4.170 0.002 0.000 0.237 886 I C 1.985 178.157 176.117 0.092 0.000 1.073 886 I CA 0.840 62.152 61.300 0.019 0.000 1.359 886 I CB -1.322 36.651 38.000 -0.044 0.000 1.083 886 I HN 0.274 nan 8.210 nan 0.000 0.412 887 G N -0.693 108.131 108.800 0.040 0.000 2.516 887 G HA2 0.433 4.394 3.960 0.002 0.000 0.276 887 G HA3 0.433 4.394 3.960 0.002 0.000 0.276 887 G C 0.079 175.055 174.900 0.126 0.000 1.390 887 G CA 0.447 45.604 45.100 0.095 0.000 1.050 887 G HN 0.682 nan 8.290 nan 0.000 0.519 888 G N -2.076 106.803 108.800 0.132 0.000 2.746 888 G HA2 0.175 4.136 3.960 0.002 0.000 0.685 888 G HA3 0.175 4.136 3.960 0.002 0.000 0.685 888 G C -0.007 174.973 174.900 0.133 0.000 1.350 888 G CA -0.066 45.099 45.100 0.108 0.000 0.837 888 G HN 1.399 nan 8.290 nan 0.000 0.564 889 S N 0.281 116.050 115.700 0.117 0.000 2.576 889 S HA 0.339 4.811 4.470 0.002 0.000 0.276 889 S C 1.244 175.937 174.600 0.155 0.000 1.339 889 S CA 0.015 58.280 58.200 0.109 0.000 1.039 889 S CB 1.541 64.794 63.200 0.088 0.000 0.902 889 S HN 0.609 nan 8.310 nan 0.000 0.516 890 D N 1.925 122.387 120.400 0.102 0.000 2.116 890 D HA -0.180 4.461 4.640 0.002 0.000 0.193 890 D C 2.091 178.471 176.300 0.134 0.000 0.998 890 D CA 1.654 55.704 54.000 0.083 0.000 0.836 890 D CB -0.359 40.444 40.800 0.005 0.000 0.951 890 D HN 0.619 nan 8.370 nan 0.000 0.449 891 A N 1.587 124.470 122.820 0.106 0.000 1.849 891 A HA -0.194 4.127 4.320 0.002 0.000 0.216 891 A C 2.418 180.105 177.584 0.172 0.000 1.225 891 A CA 3.059 55.168 52.037 0.120 0.000 0.653 891 A CB -1.264 17.785 19.000 0.082 0.000 0.844 891 A HN 0.267 nan 8.150 nan 0.000 0.453 892 A N -1.814 121.094 122.820 0.146 0.000 2.093 892 A HA -0.152 4.170 4.320 0.002 0.000 0.222 892 A C 2.018 179.724 177.584 0.204 0.000 1.162 892 A CA 1.805 53.927 52.037 0.141 0.000 0.655 892 A CB -0.789 18.268 19.000 0.095 0.000 0.805 892 A HN 0.737 nan 8.150 nan 0.000 0.461 893 F N 0.027 120.030 119.950 0.087 0.000 2.031 893 F HA -0.179 4.350 4.527 0.002 0.000 0.295 893 F C 2.342 178.255 175.800 0.189 0.000 1.133 893 F CA 2.071 60.127 58.000 0.094 0.000 1.188 893 F CB -0.201 38.803 39.000 0.006 0.000 0.974 893 F HN 0.361 nan 8.300 nan 0.000 0.473 894 E N 0.445 121.012 120.200 0.611 0.000 2.070 894 E HA -0.310 4.041 4.350 0.002 0.000 0.197 894 E C 1.841 178.694 176.600 0.421 0.000 1.004 894 E CA 1.670 58.391 56.400 0.535 0.000 0.805 894 E CB -0.108 29.773 29.700 0.302 0.000 0.744 894 E HN 0.211 nan 8.360 nan 0.000 0.451 895 K N -0.160 120.415 120.400 0.291 0.000 2.589 895 K HA -0.102 4.219 4.320 0.002 0.000 0.195 895 K C 1.688 178.377 176.600 0.149 0.000 1.042 895 K CA 0.732 57.132 56.287 0.188 0.000 0.940 895 K CB 0.122 32.696 32.500 0.123 0.000 0.776 895 K HN 0.028 nan 8.250 nan 0.000 0.487 896 R N -2.120 118.515 120.500 0.226 0.000 2.320 896 R HA 0.141 4.482 4.340 0.002 0.000 0.193 896 R C 0.570 176.873 176.300 0.005 0.000 0.885 896 R CA 0.708 56.869 56.100 0.102 0.000 1.085 896 R CB 0.539 30.941 30.300 0.169 0.000 1.253 896 R HN 0.181 nan 8.270 nan 0.000 0.636 897 Y N -0.414 119.977 120.300 0.153 0.000 2.527 897 Y HA 0.336 4.888 4.550 0.002 0.000 0.247 897 Y C 0.223 176.405 175.900 0.471 0.000 1.138 897 Y CA -0.728 57.500 58.100 0.213 0.000 1.228 897 Y CB 0.473 39.000 38.460 0.111 0.000 1.252 897 Y HN -0.271 nan 8.280 nan 0.000 0.531 898 R N 1.450 122.314 120.500 0.608 0.000 2.216 898 R HA 0.484 4.825 4.340 0.002 0.000 0.332 898 R C -1.359 175.053 176.300 0.187 0.000 1.056 898 R CA -0.259 56.048 56.100 0.345 0.000 0.901 898 R CB 0.176 30.553 30.300 0.128 0.000 1.039 898 R HN -0.063 nan 8.270 nan 0.000 0.456 899 V N 5.436 125.426 119.914 0.128 0.000 2.334 899 V HA 0.243 4.364 4.120 0.002 0.000 0.281 899 V C -0.612 175.491 176.094 0.015 0.000 1.016 899 V CA -0.690 61.651 62.300 0.069 0.000 0.832 899 V CB 1.444 33.302 31.823 0.059 0.000 0.999 899 V HN 0.692 nan 8.190 nan 0.000 0.439 900 D N 4.609 125.022 120.400 0.021 0.000 2.392 900 D HA 0.369 5.010 4.640 0.002 0.000 0.228 900 D C 0.750 177.062 176.300 0.020 0.000 1.074 900 D CA -0.268 53.728 54.000 -0.007 0.000 0.838 900 D CB 1.856 42.643 40.800 -0.022 0.000 1.067 900 D HN 0.333 nan 8.370 nan 0.000 0.511 901 L N 2.991 124.216 121.223 0.003 0.000 2.007 901 L HA -0.094 4.247 4.340 0.002 0.000 0.205 901 L C 1.298 178.170 176.870 0.003 0.000 1.073 901 L CA 0.810 55.651 54.840 0.003 0.000 0.744 901 L CB -0.417 41.640 42.059 -0.004 0.000 0.898 901 L HN 0.453 nan 8.230 nan 0.000 0.435 902 L N -0.191 121.029 121.223 -0.005 0.000 2.436 902 L HA 0.311 4.652 4.340 0.002 0.000 0.244 902 L C -0.320 176.549 176.870 -0.001 0.000 1.396 902 L CA 0.545 55.381 54.840 -0.006 0.000 1.217 902 L CB -1.066 40.985 42.059 -0.014 0.000 1.420 902 L HN 0.186 nan 8.230 nan 0.000 0.434 903 N N -0.499 118.211 118.700 0.016 0.000 3.466 903 N HA 0.026 4.767 4.740 0.002 0.000 0.217 903 N C 0.586 176.124 175.510 0.045 0.000 1.265 903 N CA 0.201 53.273 53.050 0.038 0.000 0.887 903 N CB 0.817 39.342 38.487 0.063 0.000 1.626 903 N HN 0.202 nan 8.380 nan 0.000 0.700 904 T N 1.095 115.664 114.554 0.025 0.000 2.620 904 T HA -0.184 4.167 4.350 0.002 0.000 0.267 904 T C 0.729 175.429 174.700 -0.000 0.000 1.044 904 T CA 2.112 64.218 62.100 0.010 0.000 1.161 904 T CB -0.146 68.724 68.868 0.003 0.000 0.862 904 T HN 0.506 nan 8.240 nan 0.000 0.438 905 D N -0.474 119.930 120.400 0.006 0.000 2.178 905 D HA -0.021 4.620 4.640 0.002 0.000 0.202 905 D C 0.786 176.993 176.300 -0.154 0.000 0.974 905 D CA 0.916 54.880 54.000 -0.060 0.000 0.841 905 D CB -0.040 40.737 40.800 -0.038 0.000 0.953 905 D HN 0.491 nan 8.370 nan 0.000 0.478 906 H N -0.899 118.161 119.070 -0.016 0.000 2.452 906 H HA 0.429 4.986 4.556 0.002 0.000 0.240 906 H C -0.824 174.491 175.328 -0.021 0.000 1.498 906 H CA -0.081 55.956 56.048 -0.019 0.000 1.142 906 H CB 0.286 30.030 29.762 -0.029 0.000 1.599 906 H HN -0.165 nan 8.280 nan 0.000 0.527 907 T N 0.467 115.043 114.554 0.036 0.000 2.916 907 T HA 0.280 4.631 4.350 0.002 0.000 0.305 907 T C -0.171 174.528 174.700 -0.001 0.000 1.119 907 T CA -0.974 61.139 62.100 0.021 0.000 1.008 907 T CB 1.786 70.662 68.868 0.013 0.000 1.129 907 T HN 0.154 nan 8.240 nan 0.000 0.480 908 L N 2.148 123.370 121.223 -0.002 0.000 2.578 908 L HA 0.105 4.447 4.340 0.002 0.000 0.279 908 L C 0.627 177.487 176.870 -0.016 0.000 1.227 908 L CA -0.072 54.761 54.840 -0.011 0.000 0.900 908 L CB -0.093 41.958 42.059 -0.013 0.000 1.144 908 L HN 0.647 nan 8.230 nan 0.000 0.496 909 D N 5.050 125.439 120.400 -0.020 0.000 2.338 909 D HA 0.124 4.765 4.640 0.002 0.000 0.255 909 D C -1.470 174.821 176.300 -0.016 0.000 1.237 909 D CA -1.519 52.469 54.000 -0.019 0.000 0.883 909 D CB 1.075 41.862 40.800 -0.021 0.000 1.087 909 D HN 0.225 nan 8.370 nan 0.000 0.485 910 P HA -0.286 nan 4.420 nan 0.000 0.221 910 P C 1.171 178.464 177.300 -0.013 0.000 1.142 910 P CA 1.048 64.140 63.100 -0.013 0.000 0.804 910 P CB 0.088 31.781 31.700 -0.012 0.000 0.756 911 S N -0.556 115.137 115.700 -0.012 0.000 2.343 911 S HA -0.165 4.306 4.470 0.002 0.000 0.219 911 S C 1.833 176.427 174.600 -0.010 0.000 1.033 911 S CA 1.324 59.518 58.200 -0.009 0.000 1.014 911 S CB -1.290 61.906 63.200 -0.007 0.000 0.915 911 S HN 0.091 nan 8.310 nan 0.000 0.435 912 L N 0.071 121.286 121.223 -0.013 0.000 2.079 912 L HA 0.160 4.502 4.340 0.002 0.000 0.210 912 L C 0.953 177.811 176.870 -0.020 0.000 1.081 912 L CA 0.504 55.335 54.840 -0.016 0.000 0.752 912 L CB -0.478 41.569 42.059 -0.020 0.000 0.896 912 L HN 0.336 nan 8.230 nan 0.000 0.433 913 L N -1.365 119.845 121.223 -0.022 0.000 2.354 913 L HA 0.240 4.581 4.340 0.002 0.000 0.264 913 L C 0.897 177.753 176.870 -0.023 0.000 1.008 913 L CA -0.143 54.681 54.840 -0.026 0.000 0.819 913 L CB 1.736 43.776 42.059 -0.032 0.000 1.339 913 L HN -0.106 nan 8.230 nan 0.000 0.420 914 E N 0.019 120.204 120.200 -0.025 0.000 2.150 914 E HA -0.092 4.260 4.350 0.002 0.000 0.193 914 E C 0.958 177.546 176.600 -0.021 0.000 0.985 914 E CA 1.225 57.612 56.400 -0.022 0.000 0.814 914 E CB 0.336 30.022 29.700 -0.023 0.000 0.752 914 E HN 0.765 nan 8.360 nan 0.000 0.466 915 S N 0.058 115.743 115.700 -0.025 0.000 2.650 915 S HA 0.056 4.528 4.470 0.002 0.000 0.219 915 S C 1.463 176.051 174.600 -0.020 0.000 0.960 915 S CA 0.195 58.381 58.200 -0.023 0.000 0.925 915 S CB 0.262 63.444 63.200 -0.029 0.000 0.775 915 S HN 0.435 nan 8.310 nan 0.000 0.525 916 G N 3.357 112.145 108.800 -0.019 0.000 2.863 916 G HA2 -0.328 3.633 3.960 0.002 0.000 0.217 916 G HA3 -0.328 3.633 3.960 0.002 0.000 0.217 916 G C 1.594 176.486 174.900 -0.014 0.000 1.315 916 G CA 1.660 46.750 45.100 -0.017 0.000 0.796 916 G HN 0.686 nan 8.290 nan 0.000 0.669 917 S N 0.957 116.650 115.700 -0.012 0.000 2.489 917 S HA -0.007 4.464 4.470 0.002 0.000 0.228 917 S C 1.890 176.484 174.600 -0.011 0.000 0.995 917 S CA 1.460 59.653 58.200 -0.011 0.000 0.934 917 S CB 0.018 63.212 63.200 -0.010 0.000 0.771 917 S HN 0.678 nan 8.310 nan 0.000 0.522 918 E N 1.164 121.357 120.200 -0.012 0.000 2.515 918 E HA 0.005 4.357 4.350 0.002 0.000 0.201 918 E C 1.340 177.933 176.600 -0.012 0.000 1.071 918 E CA 0.795 57.188 56.400 -0.011 0.000 0.880 918 E CB -0.258 29.434 29.700 -0.012 0.000 0.828 918 E HN 0.504 nan 8.360 nan 0.000 0.540 919 I N -0.037 120.526 120.570 -0.012 0.000 3.971 919 I HA 0.178 4.350 4.170 0.002 0.000 0.303 919 I C 0.978 177.089 176.117 -0.010 0.000 1.233 919 I CA -0.368 60.925 61.300 -0.012 0.000 1.346 919 I CB -0.561 37.431 38.000 -0.014 0.000 1.273 919 I HN 0.207 nan 8.210 nan 0.000 0.448 920 L N 2.137 123.355 121.223 -0.009 0.000 2.769 920 L HA 0.036 4.377 4.340 0.002 0.000 0.293 920 L C 1.272 178.138 176.870 -0.006 0.000 1.224 920 L CA 1.434 56.270 54.840 -0.006 0.000 0.906 920 L CB -0.216 41.840 42.059 -0.006 0.000 1.193 920 L HN 0.616 nan 8.230 nan 0.000 0.488 921 G N 3.173 111.969 108.800 -0.006 0.000 2.833 921 G HA2 -0.282 3.680 3.960 0.002 0.000 0.260 921 G HA3 -0.282 3.680 3.960 0.002 0.000 0.260 921 G C -0.103 174.792 174.900 -0.008 0.000 1.412 921 G CA 0.116 45.212 45.100 -0.007 0.000 0.986 921 G HN 1.049 nan 8.290 nan 0.000 0.556 922 D N -1.175 119.220 120.400 -0.009 0.000 10.804 922 D HA -0.114 4.527 4.640 0.002 0.000 0.364 922 D C 0.360 176.654 176.300 -0.009 0.000 3.053 922 D CA 1.578 55.573 54.000 -0.009 0.000 2.493 922 D CB -0.747 40.047 40.800 -0.009 0.000 1.114 922 D HN 1.219 nan 8.370 nan 0.000 0.990 923 L N 1.157 122.374 121.223 -0.009 0.000 3.693 923 L HA 0.172 4.514 4.340 0.002 0.000 0.357 923 L C 1.127 177.993 176.870 -0.008 0.000 1.330 923 L CA -0.144 54.690 54.840 -0.009 0.000 1.046 923 L CB 0.270 42.324 42.059 -0.010 0.000 1.407 923 L HN 0.269 nan 8.230 nan 0.000 0.614 924 K N -0.605 119.790 120.400 -0.007 0.000 2.402 924 K HA 0.352 4.673 4.320 0.002 0.000 0.203 924 K C 1.369 177.967 176.600 -0.004 0.000 1.077 924 K CA 0.074 56.358 56.287 -0.006 0.000 1.051 924 K CB 0.792 33.289 32.500 -0.006 0.000 0.907 924 K HN 0.192 nan 8.250 nan 0.000 0.554 925 L N 0.397 121.617 121.223 -0.005 0.000 2.513 925 L HA 0.083 4.424 4.340 0.002 0.000 0.222 925 L C 1.570 178.440 176.870 -0.001 0.000 1.096 925 L CA 0.333 55.171 54.840 -0.004 0.000 0.857 925 L CB 0.131 42.185 42.059 -0.007 0.000 1.026 925 L HN 0.104 nan 8.230 nan 0.000 0.469 926 Q N -0.200 119.598 119.800 -0.005 0.000 2.425 926 Q HA 0.037 4.378 4.340 0.002 0.000 0.204 926 Q C 2.154 178.152 176.000 -0.002 0.000 0.933 926 Q CA 0.602 56.401 55.803 -0.007 0.000 0.939 926 Q CB 0.529 29.258 28.738 -0.016 0.000 1.044 926 Q HN 0.312 nan 8.270 nan 0.000 0.513 927 V N 0.220 120.134 119.914 0.000 0.000 2.535 927 V HA -0.130 3.991 4.120 0.002 0.000 0.246 927 V C 2.060 178.161 176.094 0.011 0.000 1.045 927 V CA 1.046 63.348 62.300 0.003 0.000 1.058 927 V CB -0.122 31.701 31.823 -0.000 0.000 0.689 927 V HN 0.230 nan 8.190 nan 0.000 0.461 928 L N -1.182 120.048 121.223 0.012 0.000 2.127 928 L HA 0.002 4.344 4.340 0.002 0.000 0.203 928 L C 2.282 179.173 176.870 0.036 0.000 1.080 928 L CA 0.701 55.553 54.840 0.020 0.000 0.768 928 L CB -0.361 41.705 42.059 0.012 0.000 0.924 928 L HN 0.235 nan 8.230 nan 0.000 0.444 929 L N -0.170 121.073 121.223 0.034 0.000 2.141 929 L HA -0.186 4.156 4.340 0.002 0.000 0.209 929 L C 2.075 178.991 176.870 0.078 0.000 1.094 929 L CA 1.593 56.465 54.840 0.054 0.000 0.763 929 L CB -0.875 41.204 42.059 0.032 0.000 0.908 929 L HN 0.340 nan 8.230 nan 0.000 0.437 930 D N -0.186 120.242 120.400 0.046 0.000 2.088 930 D HA -0.226 4.415 4.640 0.002 0.000 0.196 930 D C 1.766 178.126 176.300 0.099 0.000 0.983 930 D CA 1.198 55.234 54.000 0.060 0.000 0.846 930 D CB -0.084 40.728 40.800 0.020 0.000 0.992 930 D HN 0.142 nan 8.370 nan 0.000 0.448 931 E N 1.371 121.606 120.200 0.060 0.000 2.332 931 E HA -0.327 4.024 4.350 0.002 0.000 0.243 931 E C 1.745 178.387 176.600 0.070 0.000 1.088 931 E CA 2.356 58.786 56.400 0.051 0.000 1.048 931 E CB -0.519 29.201 29.700 0.033 0.000 0.911 931 E HN 0.410 nan 8.360 nan 0.000 0.487 932 E N -1.386 118.867 120.200 0.088 0.000 2.000 932 E HA -0.257 4.094 4.350 0.002 0.000 0.199 932 E C 2.188 178.873 176.600 0.142 0.000 1.011 932 E CA 1.389 57.852 56.400 0.104 0.000 0.836 932 E CB -0.676 29.095 29.700 0.120 0.000 0.778 932 E HN 0.530 nan 8.360 nan 0.000 0.462 933 Y N 1.157 121.501 120.300 0.073 0.000 2.348 933 Y HA -0.289 4.263 4.550 0.002 0.000 0.285 933 Y C 2.256 178.177 175.900 0.034 0.000 1.173 933 Y CA 2.100 60.254 58.100 0.089 0.000 1.263 933 Y CB 0.050 38.560 38.460 0.083 0.000 0.974 933 Y HN 0.031 nan 8.280 nan 0.000 0.547 934 K N -0.460 120.045 120.400 0.175 0.000 2.137 934 K HA -0.191 4.130 4.320 0.002 0.000 0.202 934 K C 2.135 178.740 176.600 0.008 0.000 1.052 934 K CA 1.143 57.482 56.287 0.086 0.000 0.961 934 K CB -0.055 32.488 32.500 0.072 0.000 0.741 934 K HN 0.235 nan 8.250 nan 0.000 0.452 935 Q N 0.918 120.723 119.800 0.009 0.000 2.172 935 Q HA -0.026 4.316 4.340 0.002 0.000 0.200 935 Q C 1.640 177.618 176.000 -0.038 0.000 0.964 935 Q CA 1.378 57.172 55.803 -0.016 0.000 0.855 935 Q CB -0.027 28.707 28.738 -0.006 0.000 0.918 935 Q HN 0.392 nan 8.270 nan 0.000 0.444 936 L N -0.767 120.422 121.223 -0.057 0.000 2.395 936 L HA -0.012 4.330 4.340 0.002 0.000 0.218 936 L C 1.819 178.617 176.870 -0.120 0.000 1.130 936 L CA 0.314 55.109 54.840 -0.076 0.000 0.826 936 L CB -0.196 41.822 42.059 -0.069 0.000 0.941 936 L HN 0.072 nan 8.230 nan 0.000 0.451 937 V N -0.804 118.981 119.914 -0.216 0.000 2.725 937 V HA -0.105 4.016 4.120 0.002 0.000 0.247 937 V C 2.429 178.470 176.094 -0.088 0.000 1.058 937 V CA 0.936 63.100 62.300 -0.227 0.000 1.080 937 V CB -0.342 31.316 31.823 -0.276 0.000 0.713 937 V HN 0.317 nan 8.190 nan 0.000 0.465 938 K N 0.387 120.757 120.400 -0.050 0.000 2.074 938 K HA -0.248 4.074 4.320 0.002 0.000 0.209 938 K C 1.836 178.462 176.600 0.043 0.000 1.048 938 K CA 2.175 58.458 56.287 -0.007 0.000 0.926 938 K CB -0.211 32.276 32.500 -0.021 0.000 0.713 938 K HN 0.484 nan 8.250 nan 0.000 0.444 939 D N -0.154 120.261 120.400 0.026 0.000 2.081 939 D HA -0.162 4.479 4.640 0.002 0.000 0.194 939 D C 1.852 178.221 176.300 0.115 0.000 0.986 939 D CA 0.933 54.985 54.000 0.087 0.000 0.837 939 D CB -0.287 40.529 40.800 0.027 0.000 0.985 939 D HN 0.072 nan 8.370 nan 0.000 0.448 940 R N 0.674 121.208 120.500 0.057 0.000 2.153 940 R HA -0.219 4.122 4.340 0.002 0.000 0.252 940 R C 1.987 178.324 176.300 0.061 0.000 1.158 940 R CA 1.585 57.730 56.100 0.075 0.000 0.975 940 R CB -0.064 30.294 30.300 0.096 0.000 0.871 940 R HN 0.126 nan 8.270 nan 0.000 0.450 941 K N -0.815 119.611 120.400 0.044 0.000 2.098 941 K HA -0.101 4.220 4.320 0.002 0.000 0.203 941 K C 1.931 178.566 176.600 0.057 0.000 1.051 941 K CA 0.832 57.141 56.287 0.036 0.000 0.957 941 K CB -0.262 32.244 32.500 0.010 0.000 0.738 941 K HN 0.086 nan 8.250 nan 0.000 0.447 942 F N 1.871 121.814 119.950 -0.011 0.000 2.192 942 F HA -0.243 4.285 4.527 0.002 0.000 0.301 942 F C 1.367 177.179 175.800 0.020 0.000 1.079 942 F CA 1.377 59.376 58.000 -0.002 0.000 1.303 942 F CB 0.010 39.005 39.000 -0.009 0.000 1.024 942 F HN -0.020 nan 8.300 nan 0.000 0.494 943 L N -0.024 121.199 121.223 0.000 0.000 1.993 943 L HA -0.154 4.187 4.340 0.002 0.000 0.206 943 L C 2.641 179.480 176.870 -0.052 0.000 1.074 943 L CA 1.366 56.170 54.840 -0.060 0.000 0.746 943 L CB -0.912 41.144 42.059 -0.005 0.000 0.896 943 L HN -0.036 nan 8.230 nan 0.000 0.435 944 R N 0.105 120.615 120.500 0.016 0.000 2.226 944 R HA -0.256 4.085 4.340 0.002 0.000 0.246 944 R C 2.050 178.345 176.300 -0.007 0.000 1.161 944 R CA 1.592 57.735 56.100 0.072 0.000 0.997 944 R CB -0.340 30.026 30.300 0.110 0.000 0.870 944 R HN 0.504 nan 8.270 nan 0.000 0.465 945 E N 0.374 120.506 120.200 -0.113 0.000 2.015 945 E HA -0.145 4.207 4.350 0.002 0.000 0.191 945 E C 1.890 178.337 176.600 -0.255 0.000 0.991 945 E CA 1.358 57.643 56.400 -0.191 0.000 0.802 945 E CB 0.179 29.724 29.700 -0.257 0.000 0.759 945 E HN 0.064 nan 8.360 nan 0.000 0.447 946 V N 0.450 120.137 119.914 -0.380 0.000 2.221 946 V HA -0.189 3.932 4.120 0.002 0.000 0.242 946 V C 1.107 176.987 176.094 -0.358 0.000 1.041 946 V CA 1.438 63.494 62.300 -0.407 0.000 0.995 946 V CB -0.541 31.002 31.823 -0.468 0.000 0.635 946 V HN 0.220 nan 8.190 nan 0.000 0.448 947 F N 0.665 120.417 119.950 -0.331 0.000 2.659 947 F HA 0.295 4.823 4.527 0.002 0.000 0.360 947 F C 1.344 177.075 175.800 -0.114 0.000 1.218 947 F CA -0.679 57.165 58.000 -0.259 0.000 1.317 947 F CB -1.029 37.788 39.000 -0.306 0.000 1.697 947 F HN -0.168 nan 8.300 nan 0.000 0.637 948 V N 0.302 120.217 119.914 0.002 0.000 2.439 948 V HA -0.365 3.756 4.120 0.002 0.000 0.253 948 V C 1.614 177.767 176.094 0.098 0.000 1.074 948 V CA 2.099 64.426 62.300 0.044 0.000 1.076 948 V CB -0.589 31.221 31.823 -0.023 0.000 0.664 948 V HN 0.460 nan 8.190 nan 0.000 0.461 949 D N 0.809 121.254 120.400 0.076 0.000 2.190 949 D HA -0.029 4.612 4.640 0.002 0.000 0.200 949 D C 1.820 178.087 176.300 -0.055 0.000 0.992 949 D CA 1.552 55.587 54.000 0.058 0.000 0.854 949 D CB -0.518 40.360 40.800 0.130 0.000 0.936 949 D HN 0.626 nan 8.370 nan 0.000 0.462 950 G N 0.114 108.788 108.800 -0.210 0.000 2.132 950 G HA2 -0.297 3.665 3.960 0.002 0.000 0.228 950 G HA3 -0.297 3.665 3.960 0.002 0.000 0.228 950 G C -0.108 174.555 174.900 -0.395 0.000 1.000 950 G CA 0.088 44.673 45.100 -0.859 0.000 0.693 950 G HN 0.373 nan 8.290 nan 0.000 0.515 951 E N 0.046 120.228 120.200 -0.030 0.000 2.109 951 E HA 0.785 5.137 4.350 0.002 0.000 0.278 951 E C 1.062 177.822 176.600 0.265 0.000 0.954 951 E CA 0.430 56.903 56.400 0.122 0.000 0.779 951 E CB 0.909 30.742 29.700 0.222 0.000 1.093 951 E HN 0.491 nan 8.360 nan 0.000 0.401 952 A N 4.791 127.651 122.820 0.067 0.000 1.911 952 A HA 0.043 4.364 4.320 0.002 0.000 0.212 952 A C 0.443 178.113 177.584 0.143 0.000 1.189 952 A CA 0.166 52.241 52.037 0.063 0.000 0.639 952 A CB -0.104 18.883 19.000 -0.021 0.000 0.839 952 A HN 0.638 nan 8.150 nan 0.000 0.449 953 N N 0.049 118.701 118.700 -0.081 0.000 2.416 953 N HA 0.248 4.989 4.740 0.002 0.000 0.265 953 N C -1.588 173.654 175.510 -0.447 0.000 1.195 953 N CA 0.534 53.481 53.050 -0.172 0.000 0.943 953 N CB 0.204 38.570 38.487 -0.202 0.000 1.115 953 N HN 0.502 nan 8.380 nan 0.000 0.481 954 W N 1.789 123.072 121.300 -0.029 0.000 3.256 954 W HA 0.298 4.960 4.660 0.002 0.000 0.324 954 W C -2.175 174.385 176.519 0.068 0.000 1.196 954 W CA -1.705 55.654 57.345 0.023 0.000 1.206 954 W CB 1.437 30.892 29.460 -0.007 0.000 1.385 954 W HN 0.295 nan 8.180 nan 0.000 0.522 955 P HA 0.184 nan 4.420 nan 0.000 0.266 955 P C -0.862 176.597 177.300 0.265 0.000 1.215 955 P CA 0.652 63.925 63.100 0.288 0.000 0.763 955 P CB 0.822 32.725 31.700 0.339 0.000 0.806 956 L N 5.447 126.792 121.223 0.203 0.000 2.565 956 L HA 0.355 4.696 4.340 0.002 0.000 0.261 956 L C -2.496 174.442 176.870 0.113 0.000 0.932 956 L CA -2.613 52.340 54.840 0.187 0.000 0.878 956 L CB 2.838 45.059 42.059 0.269 0.000 1.333 956 L HN 0.087 nan 8.230 nan 0.000 0.409 957 P HA -0.042 nan 4.420 nan 0.000 0.269 957 P C -0.638 176.611 177.300 -0.085 0.000 1.200 957 P CA 0.110 63.085 63.100 -0.208 0.000 0.779 957 P CB 0.278 31.598 31.700 -0.635 0.000 0.841 958 V N -0.289 119.585 119.914 -0.066 0.000 4.273 958 V HA -0.232 3.889 4.120 0.002 0.000 0.450 958 V C 0.629 176.788 176.094 0.109 0.000 0.683 958 V CA 0.160 62.481 62.300 0.034 0.000 1.815 958 V CB -1.694 30.184 31.823 0.093 0.000 2.190 958 V HN 0.811 nan 8.190 nan 0.000 0.492 959 N N 3.511 122.243 118.700 0.052 0.000 2.429 959 N HA 0.179 4.920 4.740 0.002 0.000 0.271 959 N C 0.809 176.351 175.510 0.054 0.000 1.272 959 N CA 0.406 53.486 53.050 0.049 0.000 0.921 959 N CB 0.805 39.290 38.487 -0.003 0.000 1.128 959 N HN 0.677 nan 8.380 nan 0.000 0.481 960 I N 3.484 124.102 120.570 0.079 0.000 2.162 960 I HA -0.115 4.056 4.170 0.002 0.000 0.238 960 I C 2.334 178.459 176.117 0.014 0.000 1.076 960 I CA 0.701 62.030 61.300 0.049 0.000 1.353 960 I CB -0.111 37.927 38.000 0.063 0.000 1.063 960 I HN 0.537 nan 8.210 nan 0.000 0.408 961 R N 0.418 120.937 120.500 0.031 0.000 2.397 961 R HA -0.132 4.209 4.340 0.002 0.000 0.213 961 R C 2.106 178.415 176.300 0.015 0.000 1.102 961 R CA 0.896 57.010 56.100 0.022 0.000 1.040 961 R CB -0.072 30.263 30.300 0.059 0.000 0.844 961 R HN 0.347 nan 8.270 nan 0.000 0.478 962 R N -0.448 120.064 120.500 0.021 0.000 2.105 962 R HA 0.138 4.480 4.340 0.002 0.000 0.214 962 R C 2.168 178.499 176.300 0.052 0.000 1.091 962 R CA 0.381 56.506 56.100 0.041 0.000 1.007 962 R CB 0.069 30.389 30.300 0.033 0.000 0.912 962 R HN 0.182 nan 8.270 nan 0.000 0.450 963 I N 1.326 121.907 120.570 0.019 0.000 2.423 963 I HA -0.294 3.878 4.170 0.002 0.000 0.254 963 I C 1.891 178.049 176.117 0.068 0.000 1.151 963 I CA 0.914 62.222 61.300 0.013 0.000 1.421 963 I CB -0.214 37.731 38.000 -0.091 0.000 1.079 963 I HN 0.171 nan 8.210 nan 0.000 0.431 964 I N 0.920 121.471 120.570 -0.031 0.000 2.133 964 I HA -0.278 3.893 4.170 0.002 0.000 0.238 964 I C 2.609 178.699 176.117 -0.044 0.000 1.074 964 I CA 1.756 62.970 61.300 -0.144 0.000 1.342 964 I CB -1.328 36.427 38.000 -0.407 0.000 1.053 964 I HN 0.352 nan 8.210 nan 0.000 0.404 965 Q N 0.172 119.959 119.800 -0.022 0.000 2.226 965 Q HA -0.146 4.196 4.340 0.002 0.000 0.204 965 Q C 1.527 177.547 176.000 0.033 0.000 0.975 965 Q CA 1.008 56.785 55.803 -0.043 0.000 0.866 965 Q CB -0.288 28.379 28.738 -0.118 0.000 0.915 965 Q HN 0.458 nan 8.270 nan 0.000 0.440 966 N N -0.319 118.481 118.700 0.166 0.000 2.461 966 N HA 0.087 4.828 4.740 0.002 0.000 0.188 966 N C 0.808 176.507 175.510 0.314 0.000 1.134 966 N CA 0.678 53.882 53.050 0.257 0.000 0.878 966 N CB 0.447 39.117 38.487 0.306 0.000 0.972 966 N HN 0.292 nan 8.380 nan 0.000 0.456 967 A N 0.827 123.835 122.820 0.314 0.000 1.909 967 A HA -0.030 4.291 4.320 0.002 0.000 0.209 967 A C 1.355 179.029 177.584 0.150 0.000 1.247 967 A CA 0.171 52.410 52.037 0.336 0.000 0.660 967 A CB -0.281 18.984 19.000 0.443 0.000 0.910 967 A HN 0.359 nan 8.150 nan 0.000 0.465 968 Q N -0.084 119.766 119.800 0.083 0.000 2.945 968 Q HA 0.226 4.567 4.340 0.002 0.000 0.323 968 Q C 0.286 176.255 176.000 -0.051 0.000 1.188 968 Q CA 0.642 56.470 55.803 0.043 0.000 0.929 968 Q CB -0.161 28.628 28.738 0.084 0.000 1.531 968 Q HN 0.767 nan 8.270 nan 0.000 0.444 969 Q N -2.131 117.576 119.800 -0.156 0.000 1.786 969 Q HA 0.032 4.373 4.340 0.002 0.000 0.175 969 Q C 0.675 176.384 176.000 -0.485 0.000 0.661 969 Q CA 0.469 56.041 55.803 -0.385 0.000 0.747 969 Q CB -0.316 28.307 28.738 -0.192 0.000 1.206 969 Q HN 0.157 nan 8.270 nan 0.000 0.386 970 T N 0.098 114.410 114.554 -0.403 0.000 3.035 970 T HA 0.184 4.536 4.350 0.002 0.000 0.268 970 T C 0.233 174.391 174.700 -0.903 0.000 1.109 970 T CA 1.136 62.831 62.100 -0.676 0.000 1.119 970 T CB -0.137 68.156 68.868 -0.958 0.000 0.900 970 T HN 0.329 nan 8.240 nan 0.000 0.503 971 F N -0.595 119.186 119.950 -0.282 0.000 2.729 971 F HA 0.311 4.840 4.527 0.002 0.000 0.315 971 F C 0.308 176.081 175.800 -0.044 0.000 1.102 971 F CA -0.868 57.028 58.000 -0.174 0.000 1.204 971 F CB 0.168 39.057 39.000 -0.184 0.000 1.052 971 F HN 0.038 nan 8.300 nan 0.000 0.551 972 H N 1.505 120.601 119.070 0.043 0.000 2.477 972 H HA -0.174 4.384 4.556 0.002 0.000 0.270 972 H C -0.637 174.715 175.328 0.040 0.000 0.728 972 H CA 0.432 56.502 56.048 0.036 0.000 0.877 972 H CB -0.277 29.494 29.762 0.015 0.000 1.447 972 H HN 0.146 nan 8.280 nan 0.000 0.260 973 I N 4.454 125.120 120.570 0.160 0.000 2.582 973 I HA 0.162 4.334 4.170 0.002 0.000 0.292 973 I C -0.526 175.585 176.117 -0.011 0.000 1.066 973 I CA -0.736 60.586 61.300 0.036 0.000 1.053 973 I CB 1.606 39.579 38.000 -0.044 0.000 1.241 973 I HN 0.493 nan 8.210 nan 0.000 0.421 974 D N 4.731 125.114 120.400 -0.027 0.000 2.256 974 D HA 0.209 4.850 4.640 0.002 0.000 0.250 974 D C -0.135 176.112 176.300 -0.089 0.000 1.093 974 D CA 0.004 54.008 54.000 0.007 0.000 0.882 974 D CB 0.533 41.348 40.800 0.026 0.000 1.185 974 D HN 0.443 nan 8.370 nan 0.000 0.437 975 H N 1.057 120.153 119.070 0.044 0.000 2.655 975 H HA 0.185 4.742 4.556 0.002 0.000 0.309 975 H C 0.255 175.597 175.328 0.023 0.000 1.180 975 H CA 0.056 56.126 56.048 0.037 0.000 1.087 975 H CB -0.021 29.765 29.762 0.040 0.000 1.494 975 H HN 0.668 nan 8.280 nan 0.000 0.515 976 T N -3.057 111.546 114.554 0.081 0.000 3.191 976 T HA 0.159 4.511 4.350 0.002 0.000 0.285 976 T C 0.369 175.083 174.700 0.023 0.000 0.887 976 T CA -0.409 61.722 62.100 0.051 0.000 0.881 976 T CB 0.743 69.639 68.868 0.048 0.000 1.217 976 T HN -0.059 nan 8.240 nan 0.000 0.591 977 K N 2.992 123.398 120.400 0.010 0.000 2.324 977 K HA 0.685 5.006 4.320 0.002 0.000 0.253 977 K C -2.705 173.887 176.600 -0.013 0.000 0.932 977 K CA -2.114 54.172 56.287 -0.002 0.000 0.799 977 K CB 2.037 34.535 32.500 -0.003 0.000 1.154 977 K HN 0.050 nan 8.250 nan 0.000 0.425 978 P HA 0.107 nan 4.420 nan 0.000 0.277 978 P C -0.231 177.054 177.300 -0.024 0.000 1.276 978 P CA -0.518 62.571 63.100 -0.018 0.000 0.788 978 P CB 0.980 32.670 31.700 -0.016 0.000 1.114 979 S N -0.555 115.128 115.700 -0.028 0.000 2.640 979 S HA 0.169 4.641 4.470 0.002 0.000 0.262 979 S C 0.379 174.957 174.600 -0.037 0.000 1.232 979 S CA -0.079 58.101 58.200 -0.034 0.000 0.988 979 S CB -0.215 62.961 63.200 -0.040 0.000 1.034 979 S HN 0.658 nan 8.310 nan 0.000 0.569 980 D N 0.401 120.774 120.400 -0.045 0.000 2.692 980 D HA 0.208 4.849 4.640 0.002 0.000 0.290 980 D C -0.170 176.093 176.300 -0.062 0.000 1.455 980 D CA -0.208 53.765 54.000 -0.045 0.000 0.796 980 D CB -0.727 40.051 40.800 -0.036 0.000 1.131 980 D HN 0.314 nan 8.370 nan 0.000 0.467 981 L N 0.425 121.598 121.223 -0.084 0.000 2.431 981 L HA 0.542 4.883 4.340 0.002 0.000 0.260 981 L C 0.467 177.272 176.870 -0.107 0.000 1.098 981 L CA -0.165 54.599 54.840 -0.127 0.000 0.800 981 L CB 1.514 43.452 42.059 -0.202 0.000 1.210 981 L HN -0.115 nan 8.230 nan 0.000 0.465 982 T N -0.261 114.219 114.554 -0.122 0.000 2.907 982 T HA 0.364 4.715 4.350 0.002 0.000 0.292 982 T C 0.981 175.623 174.700 -0.096 0.000 1.043 982 T CA -0.654 61.393 62.100 -0.088 0.000 1.003 982 T CB 1.777 70.605 68.868 -0.065 0.000 1.084 982 T HN 0.253 nan 8.240 nan 0.000 0.483 983 I N 0.841 121.371 120.570 -0.066 0.000 3.164 983 I HA -0.042 4.129 4.170 0.002 0.000 0.278 983 I C 1.782 177.870 176.117 -0.048 0.000 1.320 983 I CA 1.220 62.488 61.300 -0.053 0.000 1.422 983 I CB -1.053 36.928 38.000 -0.031 0.000 1.066 983 I HN 0.660 nan 8.210 nan 0.000 0.503 984 K N 0.409 120.776 120.400 -0.054 0.000 2.121 984 K HA -0.048 4.274 4.320 0.002 0.000 0.203 984 K C 1.527 178.092 176.600 -0.059 0.000 1.041 984 K CA 0.479 56.740 56.287 -0.042 0.000 0.969 984 K CB 0.199 32.680 32.500 -0.032 0.000 0.799 984 K HN 0.104 nan 8.250 nan 0.000 0.456 985 D N 1.677 122.020 120.400 -0.095 0.000 2.156 985 D HA -0.224 4.417 4.640 0.002 0.000 0.190 985 D C 1.902 178.085 176.300 -0.194 0.000 0.998 985 D CA 1.326 55.245 54.000 -0.134 0.000 0.842 985 D CB -0.600 40.080 40.800 -0.200 0.000 0.974 985 D HN 0.094 nan 8.370 nan 0.000 0.447 986 I N 0.516 120.878 120.570 -0.347 0.000 2.077 986 I HA -0.337 3.834 4.170 0.002 0.000 0.231 986 I C 2.588 178.673 176.117 -0.053 0.000 1.011 986 I CA 1.261 62.351 61.300 -0.350 0.000 1.304 986 I CB -0.650 37.196 38.000 -0.256 0.000 1.019 986 I HN -0.077 nan 8.210 nan 0.000 0.388 987 V N 0.547 120.442 119.914 -0.032 0.000 2.332 987 V HA -0.286 3.836 4.120 0.002 0.000 0.248 987 V C 2.289 178.402 176.094 0.031 0.000 1.055 987 V CA 2.036 64.347 62.300 0.019 0.000 1.038 987 V CB -0.479 31.352 31.823 0.014 0.000 0.651 987 V HN 0.398 nan 8.190 nan 0.000 0.450 988 L N -0.084 121.149 121.223 0.017 0.000 2.131 988 L HA 0.086 4.427 4.340 0.002 0.000 0.206 988 L C 2.310 179.213 176.870 0.054 0.000 1.087 988 L CA 1.657 56.513 54.840 0.026 0.000 0.767 988 L CB -0.777 41.289 42.059 0.013 0.000 0.917 988 L HN 0.329 nan 8.230 nan 0.000 0.441 989 G N -0.487 108.367 108.800 0.090 0.000 2.639 989 G HA2 -0.306 3.656 3.960 0.002 0.000 0.216 989 G HA3 -0.306 3.656 3.960 0.002 0.000 0.216 989 G C 1.502 176.492 174.900 0.149 0.000 1.267 989 G CA 1.255 46.460 45.100 0.176 0.000 0.801 989 G HN 0.224 nan 8.290 nan 0.000 0.592 990 V N 1.059 121.091 119.914 0.196 0.000 2.265 990 V HA -0.377 3.745 4.120 0.002 0.000 0.259 990 V C 2.801 178.920 176.094 0.043 0.000 1.084 990 V CA 2.925 65.293 62.300 0.112 0.000 1.076 990 V CB -0.489 31.404 31.823 0.117 0.000 0.680 990 V HN 0.532 nan 8.190 nan 0.000 0.452 991 K N -1.247 119.177 120.400 0.039 0.000 2.147 991 K HA -0.194 4.128 4.320 0.002 0.000 0.205 991 K C 1.606 178.207 176.600 0.002 0.000 1.049 991 K CA 1.694 57.988 56.287 0.012 0.000 0.936 991 K CB -0.116 32.392 32.500 0.013 0.000 0.722 991 K HN 0.500 nan 8.250 nan 0.000 0.446 992 D N 0.004 120.413 120.400 0.014 0.000 2.367 992 D HA -0.048 4.593 4.640 0.002 0.000 0.207 992 D C 1.540 177.835 176.300 -0.009 0.000 1.034 992 D CA 0.142 54.145 54.000 0.004 0.000 0.861 992 D CB 0.338 41.147 40.800 0.014 0.000 0.943 992 D HN 0.122 nan 8.370 nan 0.000 0.515 993 L N 0.980 122.197 121.223 -0.009 0.000 2.023 993 L HA -0.094 4.247 4.340 0.002 0.000 0.205 993 L C 2.129 178.962 176.870 -0.062 0.000 1.073 993 L CA 1.817 56.634 54.840 -0.037 0.000 0.745 993 L CB -0.714 41.319 42.059 -0.043 0.000 0.900 993 L HN -0.144 nan 8.230 nan 0.000 0.435 994 Q N -0.521 119.246 119.800 -0.055 0.000 2.315 994 Q HA -0.284 4.057 4.340 0.002 0.000 0.213 994 Q C 1.974 177.930 176.000 -0.072 0.000 0.994 994 Q CA 2.113 57.875 55.803 -0.068 0.000 0.906 994 Q CB -0.078 28.630 28.738 -0.051 0.000 0.918 994 Q HN 0.582 nan 8.270 nan 0.000 0.427 995 E N -0.406 119.760 120.200 -0.056 0.000 2.274 995 E HA -0.076 4.276 4.350 0.002 0.000 0.194 995 E C 0.633 177.196 176.600 -0.062 0.000 0.996 995 E CA 0.841 57.212 56.400 -0.049 0.000 0.840 995 E CB 0.084 29.765 29.700 -0.031 0.000 0.772 995 E HN 0.637 nan 8.360 nan 0.000 0.491 996 N N 0.045 118.696 118.700 -0.082 0.000 2.177 996 N HA 0.104 4.845 4.740 0.002 0.000 0.218 996 N C 1.344 176.758 175.510 -0.160 0.000 1.182 996 N CA -0.056 52.940 53.050 -0.090 0.000 0.882 996 N CB 0.569 39.020 38.487 -0.061 0.000 1.052 996 N HN 0.056 nan 8.380 nan 0.000 0.519 997 L N 1.060 122.127 121.223 -0.261 0.000 2.642 997 L HA 0.050 4.392 4.340 0.002 0.000 0.236 997 L C 0.402 176.946 176.870 -0.544 0.000 1.169 997 L CA 0.286 54.766 54.840 -0.600 0.000 0.851 997 L CB -0.382 41.228 42.059 -0.748 0.000 0.968 997 L HN 0.241 nan 8.230 nan 0.000 0.453 998 L N 0.267 121.367 121.223 -0.205 0.000 4.659 998 L HA -0.293 4.049 4.340 0.002 0.000 0.579 998 L C 1.003 177.915 176.870 0.069 0.000 0.948 998 L CA 0.582 55.391 54.840 -0.052 0.000 0.465 998 L CB -0.283 41.762 42.059 -0.023 0.000 0.399 998 L HN 0.021 nan 8.230 nan 0.000 1.160 999 V N 4.895 124.865 119.914 0.093 0.000 3.054 999 V HA 0.207 4.328 4.120 0.002 0.000 0.227 999 V C 0.653 176.796 176.094 0.082 0.000 1.252 999 V CA 0.149 62.531 62.300 0.137 0.000 1.279 999 V CB 0.696 32.627 31.823 0.181 0.000 1.118 999 V HN 0.540 nan 8.190 nan 0.000 0.504 1000 L N 0.613 121.876 121.223 0.067 0.000 2.307 1000 L HA 0.456 4.798 4.340 0.002 0.000 0.282 1000 L C 0.943 177.835 176.870 0.036 0.000 1.051 1000 L CA 0.042 54.913 54.840 0.053 0.000 0.804 1000 L CB 1.564 43.656 42.059 0.055 0.000 1.197 1000 L HN 0.082 nan 8.230 nan 0.000 0.431 1001 R N 1.648 122.168 120.500 0.033 0.000 2.397 1001 R HA 0.210 4.552 4.340 0.002 0.000 0.241 1001 R C 0.702 177.012 176.300 0.017 0.000 0.914 1001 R CA -0.029 56.084 56.100 0.022 0.000 1.071 1001 R CB 0.484 30.796 30.300 0.021 0.000 1.116 1001 R HN 0.828 nan 8.270 nan 0.000 0.524 1002 G N 0.205 109.017 108.800 0.019 0.000 2.750 1002 G HA2 -0.099 3.862 3.960 0.002 0.000 0.250 1002 G HA3 -0.099 3.862 3.960 0.002 0.000 0.250 1002 G C 0.087 174.990 174.900 0.006 0.000 1.230 1002 G CA -0.203 44.905 45.100 0.013 0.000 0.883 1002 G HN 0.202 nan 8.290 nan 0.000 0.573 1003 K N -0.982 119.419 120.400 0.002 0.000 2.438 1003 K HA 0.087 4.409 4.320 0.002 0.000 0.206 1003 K C 0.707 177.304 176.600 -0.004 0.000 1.081 1003 K CA -0.137 56.149 56.287 -0.002 0.000 1.053 1003 K CB 0.139 32.638 32.500 -0.002 0.000 0.908 1003 K HN 0.701 nan 8.250 nan 0.000 0.556 1004 N N -0.621 118.076 118.700 -0.005 0.000 2.447 1004 N HA -0.007 4.734 4.740 0.002 0.000 0.271 1004 N C 0.813 176.316 175.510 -0.012 0.000 1.226 1004 N CA -0.449 52.595 53.050 -0.009 0.000 0.980 1004 N CB 0.772 39.254 38.487 -0.009 0.000 1.206 1004 N HN -0.188 nan 8.380 nan 0.000 0.558 1005 E N -0.044 120.147 120.200 -0.015 0.000 2.035 1005 E HA -0.225 4.126 4.350 0.002 0.000 0.204 1005 E C 1.601 178.187 176.600 -0.024 0.000 1.025 1005 E CA 2.420 58.809 56.400 -0.018 0.000 0.835 1005 E CB -0.324 29.364 29.700 -0.019 0.000 0.764 1005 E HN 0.647 nan 8.360 nan 0.000 0.457 1006 I N 0.769 121.320 120.570 -0.030 0.000 2.099 1006 I HA -0.269 3.902 4.170 0.002 0.000 0.239 1006 I C 2.470 178.564 176.117 -0.038 0.000 1.066 1006 I CA 1.271 62.544 61.300 -0.044 0.000 1.324 1006 I CB -1.521 36.440 38.000 -0.064 0.000 1.037 1006 I HN 0.175 nan 8.210 nan 0.000 0.401 1007 I N 1.183 121.737 120.570 -0.027 0.000 2.113 1007 I HA -0.300 3.871 4.170 0.002 0.000 0.242 1007 I C 2.829 178.942 176.117 -0.007 0.000 1.064 1007 I CA 1.769 63.061 61.300 -0.013 0.000 1.320 1007 I CB -1.205 36.794 38.000 -0.002 0.000 1.028 1007 I HN 0.434 nan 8.210 nan 0.000 0.406 1008 Q N 0.201 119.996 119.800 -0.009 0.000 2.226 1008 Q HA -0.152 4.190 4.340 0.002 0.000 0.204 1008 Q C 1.925 177.918 176.000 -0.011 0.000 0.975 1008 Q CA 0.926 56.724 55.803 -0.008 0.000 0.866 1008 Q CB -0.395 28.337 28.738 -0.011 0.000 0.915 1008 Q HN 0.604 nan 8.270 nan 0.000 0.440 1009 N N 0.554 119.244 118.700 -0.017 0.000 2.171 1009 N HA -0.061 4.681 4.740 0.002 0.000 0.184 1009 N C 1.693 177.196 175.510 -0.013 0.000 1.021 1009 N CA 1.101 54.139 53.050 -0.019 0.000 0.854 1009 N CB 0.050 38.521 38.487 -0.026 0.000 0.994 1009 N HN 0.190 nan 8.380 nan 0.000 0.426 1010 A N 1.044 123.856 122.820 -0.013 0.000 2.015 1010 A HA -0.183 4.138 4.320 0.002 0.000 0.219 1010 A C 2.170 179.769 177.584 0.025 0.000 1.163 1010 A CA 1.376 53.414 52.037 0.002 0.000 0.646 1010 A CB -0.429 18.567 19.000 -0.006 0.000 0.806 1010 A HN 0.270 nan 8.150 nan 0.000 0.448 1011 Q N 0.373 120.184 119.800 0.019 0.000 2.020 1011 Q HA -0.152 4.190 4.340 0.002 0.000 0.202 1011 Q C 2.137 178.150 176.000 0.023 0.000 0.982 1011 Q CA 2.257 58.077 55.803 0.027 0.000 0.838 1011 Q CB -0.462 28.285 28.738 0.015 0.000 0.899 1011 Q HN 0.601 nan 8.270 nan 0.000 0.423 1012 R N -0.067 120.436 120.500 0.004 0.000 2.083 1012 R HA -0.155 4.187 4.340 0.002 0.000 0.237 1012 R C 1.876 178.176 176.300 0.001 0.000 1.137 1012 R CA 1.827 57.922 56.100 -0.008 0.000 0.951 1012 R CB -0.321 29.964 30.300 -0.025 0.000 0.851 1012 R HN 0.433 nan 8.270 nan 0.000 0.434 1013 D N 0.013 120.417 120.400 0.007 0.000 2.116 1013 D HA -0.186 4.455 4.640 0.002 0.000 0.193 1013 D C 1.598 177.931 176.300 0.056 0.000 0.998 1013 D CA 1.675 55.688 54.000 0.021 0.000 0.836 1013 D CB -0.217 40.599 40.800 0.027 0.000 0.951 1013 D HN 0.374 nan 8.370 nan 0.000 0.449 1014 A N 0.266 123.130 122.820 0.073 0.000 2.178 1014 A HA -0.056 4.265 4.320 0.002 0.000 0.218 1014 A C 2.323 179.998 177.584 0.153 0.000 1.157 1014 A CA 0.855 52.958 52.037 0.109 0.000 0.689 1014 A CB -0.048 19.019 19.000 0.112 0.000 0.787 1014 A HN 0.172 nan 8.150 nan 0.000 0.465 1015 V N -1.695 118.304 119.914 0.141 0.000 3.085 1015 V HA -0.097 4.024 4.120 0.002 0.000 0.245 1015 V C 2.371 178.579 176.094 0.191 0.000 1.114 1015 V CA 1.509 63.936 62.300 0.212 0.000 1.108 1015 V CB -0.837 31.068 31.823 0.137 0.000 0.798 1015 V HN 0.525 nan 8.190 nan 0.000 0.471 1016 T N 1.384 115.988 114.554 0.083 0.000 2.578 1016 T HA -0.412 3.939 4.350 0.002 0.000 0.252 1016 T C 1.810 176.544 174.700 0.056 0.000 1.192 1016 T CA 2.660 64.760 62.100 0.001 0.000 1.143 1016 T CB -0.613 68.208 68.868 -0.078 0.000 0.848 1016 T HN 0.319 nan 8.240 nan 0.000 0.450 1017 L N -0.423 120.892 121.223 0.154 0.000 1.971 1017 L HA -0.130 4.211 4.340 0.002 0.000 0.215 1017 L C 2.349 179.328 176.870 0.182 0.000 1.072 1017 L CA 2.037 56.992 54.840 0.191 0.000 0.758 1017 L CB -0.465 41.723 42.059 0.215 0.000 0.889 1017 L HN 0.264 nan 8.230 nan 0.000 0.433 1018 F N 0.147 120.160 119.950 0.105 0.000 2.154 1018 F HA -0.322 4.206 4.527 0.002 0.000 0.301 1018 F C 2.439 178.289 175.800 0.083 0.000 1.087 1018 F CA 1.737 59.810 58.000 0.122 0.000 1.274 1018 F CB -0.773 38.358 39.000 0.219 0.000 1.009 1018 F HN 0.192 nan 8.300 nan 0.000 0.485 1019 C N -0.444 118.798 119.300 -0.097 0.000 2.440 1019 C HA -0.184 4.278 4.460 0.002 0.000 0.278 1019 C C 3.035 177.915 174.990 -0.184 0.000 1.295 1019 C CA 1.090 59.975 59.018 -0.222 0.000 1.738 1019 C CB -1.798 25.881 27.740 -0.101 0.000 1.987 1019 C HN 0.711 nan 8.230 nan 0.000 0.492 1020 C N 0.258 119.501 119.300 -0.096 0.000 2.413 1020 C HA -0.125 4.337 4.460 0.002 0.000 0.277 1020 C C 2.420 177.368 174.990 -0.070 0.000 1.265 1020 C CA 0.972 59.955 59.018 -0.058 0.000 1.752 1020 C CB -1.711 26.033 27.740 0.008 0.000 1.998 1020 C HN 0.689 nan 8.230 nan 0.000 0.489 1021 L N 0.722 121.885 121.223 -0.101 0.000 1.938 1021 L HA -0.064 4.278 4.340 0.002 0.000 0.212 1021 L C 2.421 179.213 176.870 -0.130 0.000 1.085 1021 L CA 1.716 56.500 54.840 -0.093 0.000 0.760 1021 L CB -1.042 40.967 42.059 -0.084 0.000 0.888 1021 L HN 0.215 nan 8.230 nan 0.000 0.433 1022 L N 0.431 121.475 121.223 -0.297 0.000 2.244 1022 L HA -0.406 3.935 4.340 0.002 0.000 0.239 1022 L C 2.692 179.503 176.870 -0.098 0.000 1.131 1022 L CA 2.686 57.360 54.840 -0.275 0.000 0.854 1022 L CB -1.116 40.680 42.059 -0.439 0.000 0.951 1022 L HN 0.480 nan 8.230 nan 0.000 0.449 1023 R N -0.836 119.618 120.500 -0.077 0.000 2.092 1023 R HA -0.084 4.257 4.340 0.002 0.000 0.231 1023 R C 2.302 178.649 176.300 0.078 0.000 1.119 1023 R CA 1.499 57.600 56.100 0.002 0.000 0.970 1023 R CB -0.610 29.683 30.300 -0.011 0.000 0.864 1023 R HN 0.758 nan 8.270 nan 0.000 0.440 1024 S N 0.485 116.228 115.700 0.070 0.000 2.428 1024 S HA -0.057 4.414 4.470 0.002 0.000 0.230 1024 S C 1.929 176.659 174.600 0.217 0.000 1.014 1024 S CA 0.736 59.055 58.200 0.198 0.000 0.957 1024 S CB 0.071 63.312 63.200 0.069 0.000 0.784 1024 S HN 0.128 nan 8.310 nan 0.000 0.499 1025 R N 0.267 120.836 120.500 0.115 0.000 2.237 1025 R HA 0.453 4.795 4.340 0.002 0.000 0.195 1025 R C 0.486 176.890 176.300 0.174 0.000 0.956 1025 R CA 0.384 56.567 56.100 0.138 0.000 1.029 1025 R CB 0.009 30.387 30.300 0.130 0.000 0.972 1025 R HN 0.384 nan 8.270 nan 0.000 0.493 1026 L N 1.010 122.310 121.223 0.128 0.000 2.956 1026 L HA 0.492 4.834 4.340 0.002 0.000 0.232 1026 L C -0.433 176.512 176.870 0.126 0.000 1.291 1026 L CA -0.701 54.236 54.840 0.162 0.000 1.122 1026 L CB 0.668 42.815 42.059 0.148 0.000 1.461 1026 L HN 0.014 nan 8.230 nan 0.000 0.470 1027 A N -0.310 122.551 122.820 0.067 0.000 2.301 1027 A HA 0.452 4.773 4.320 0.002 0.000 0.312 1027 A C 1.247 178.822 177.584 -0.016 0.000 1.182 1027 A CA -0.294 51.763 52.037 0.034 0.000 0.826 1027 A CB 0.928 19.894 19.000 -0.056 0.000 1.134 1027 A HN 0.401 nan 8.150 nan 0.000 0.501 1028 T N 1.332 115.899 114.554 0.022 0.000 2.665 1028 T HA -0.169 4.182 4.350 0.002 0.000 0.268 1028 T C 2.104 176.777 174.700 -0.045 0.000 1.035 1028 T CA 1.755 63.855 62.100 -0.001 0.000 1.151 1028 T CB -0.198 68.681 68.868 0.018 0.000 0.862 1028 T HN 0.632 nan 8.240 nan 0.000 0.438 1029 R N 0.559 121.022 120.500 -0.061 0.000 2.105 1029 R HA -0.020 4.321 4.340 0.002 0.000 0.239 1029 R C 2.664 178.849 176.300 -0.191 0.000 1.135 1029 R CA 1.213 57.250 56.100 -0.104 0.000 0.967 1029 R CB -0.190 30.056 30.300 -0.091 0.000 0.861 1029 R HN 0.376 nan 8.270 nan 0.000 0.442 1030 R N -0.249 120.080 120.500 -0.285 0.000 2.070 1030 R HA -0.099 4.243 4.340 0.002 0.000 0.227 1030 R C 2.337 178.412 176.300 -0.374 0.000 1.147 1030 R CA 1.659 57.507 56.100 -0.420 0.000 0.924 1030 R CB -0.680 29.331 30.300 -0.482 0.000 0.827 1030 R HN 0.032 nan 8.270 nan 0.000 0.431 1031 V N 1.937 121.772 119.914 -0.132 0.000 2.277 1031 V HA -0.326 3.796 4.120 0.002 0.000 0.255 1031 V C 2.360 178.481 176.094 0.044 0.000 1.074 1031 V CA 2.044 64.409 62.300 0.107 0.000 1.058 1031 V CB -0.586 31.342 31.823 0.174 0.000 0.656 1031 V HN 0.334 nan 8.190 nan 0.000 0.449 1032 L N -1.419 119.782 121.223 -0.036 0.000 2.168 1032 L HA -0.046 4.295 4.340 0.002 0.000 0.203 1032 L C 2.607 179.449 176.870 -0.047 0.000 1.078 1032 L CA 1.214 56.035 54.840 -0.031 0.000 0.780 1032 L CB -0.574 41.460 42.059 -0.041 0.000 0.939 1032 L HN 0.309 nan 8.230 nan 0.000 0.451 1033 Q N 0.276 120.018 119.800 -0.096 0.000 2.123 1033 Q HA -0.123 4.219 4.340 0.002 0.000 0.196 1033 Q C 1.882 177.828 176.000 -0.090 0.000 0.958 1033 Q CA 1.297 57.049 55.803 -0.084 0.000 0.841 1033 Q CB 0.405 29.086 28.738 -0.096 0.000 0.915 1033 Q HN 0.536 nan 8.270 nan 0.000 0.455 1034 E N -0.453 119.620 120.200 -0.212 0.000 2.102 1034 E HA -0.087 4.264 4.350 0.002 0.000 0.190 1034 E C -0.285 176.279 176.600 -0.060 0.000 0.971 1034 E CA 0.491 56.756 56.400 -0.225 0.000 0.821 1034 E CB 0.327 29.774 29.700 -0.422 0.000 0.777 1034 E HN 0.279 nan 8.360 nan 0.000 0.460 1035 Y N -0.621 119.726 120.300 0.078 0.000 2.662 1035 Y HA 0.453 5.004 4.550 0.002 0.000 0.358 1035 Y C -0.803 175.137 175.900 0.066 0.000 1.041 1035 Y CA -1.375 56.802 58.100 0.128 0.000 1.184 1035 Y CB -0.624 37.907 38.460 0.120 0.000 1.114 1035 Y HN -0.298 nan 8.280 nan 0.000 0.650 1036 R N 2.893 123.489 120.500 0.161 0.000 3.716 1036 R HA 0.005 4.347 4.340 0.002 0.000 0.303 1036 R C 0.125 176.446 176.300 0.036 0.000 0.831 1036 R CA 0.318 56.443 56.100 0.042 0.000 0.969 1036 R CB -0.188 30.077 30.300 -0.058 0.000 0.957 1036 R HN 0.678 nan 8.270 nan 0.000 0.374 1037 L N 0.947 122.239 121.223 0.115 0.000 2.475 1037 L HA 0.226 4.567 4.340 0.002 0.000 0.212 1037 L C 1.315 178.201 176.870 0.028 0.000 1.204 1037 L CA 0.124 55.026 54.840 0.104 0.000 0.843 1037 L CB 0.572 42.758 42.059 0.213 0.000 1.360 1037 L HN 0.602 nan 8.230 nan 0.000 0.527 1038 T N -3.428 111.132 114.554 0.010 0.000 2.831 1038 T HA 0.277 4.628 4.350 0.002 0.000 0.287 1038 T C 0.364 175.053 174.700 -0.019 0.000 1.070 1038 T CA -0.763 61.315 62.100 -0.037 0.000 1.010 1038 T CB 2.000 70.816 68.868 -0.087 0.000 1.264 1038 T HN 0.432 nan 8.240 nan 0.000 0.532 1039 K N 0.299 120.674 120.400 -0.043 0.000 2.025 1039 K HA -0.067 4.254 4.320 0.002 0.000 0.207 1039 K C 2.345 178.950 176.600 0.008 0.000 1.049 1039 K CA 2.102 58.380 56.287 -0.016 0.000 0.933 1039 K CB -0.691 31.790 32.500 -0.032 0.000 0.714 1039 K HN 0.717 nan 8.250 nan 0.000 0.438 1040 Q N -0.431 119.314 119.800 -0.091 0.000 2.061 1040 Q HA -0.157 4.184 4.340 0.002 0.000 0.204 1040 Q C 1.921 177.709 176.000 -0.352 0.000 0.984 1040 Q CA 1.950 57.647 55.803 -0.178 0.000 0.846 1040 Q CB -0.357 28.240 28.738 -0.234 0.000 0.902 1040 Q HN 0.419 nan 8.270 nan 0.000 0.421 1041 A N 0.258 122.749 122.820 -0.548 0.000 1.877 1041 A HA -0.191 4.130 4.320 0.002 0.000 0.216 1041 A C 1.872 179.446 177.584 -0.016 0.000 1.186 1041 A CA 1.323 52.944 52.037 -0.693 0.000 0.620 1041 A CB -1.053 17.678 19.000 -0.447 0.000 0.822 1041 A HN 0.613 nan 8.150 nan 0.000 0.443 1042 F N 1.129 121.042 119.950 -0.061 0.000 2.046 1042 F HA -0.252 4.277 4.527 0.002 0.000 0.297 1042 F C 1.957 177.796 175.800 0.066 0.000 1.123 1042 F CA 2.375 60.394 58.000 0.033 0.000 1.199 1042 F CB -0.360 38.646 39.000 0.010 0.000 0.972 1042 F HN 0.246 nan 8.300 nan 0.000 0.474 1043 D N -0.527 120.017 120.400 0.241 0.000 2.191 1043 D HA -0.284 4.358 4.640 0.002 0.000 0.195 1043 D C 1.725 178.080 176.300 0.092 0.000 1.003 1043 D CA 1.669 55.760 54.000 0.151 0.000 0.867 1043 D CB -0.699 40.191 40.800 0.149 0.000 0.926 1043 D HN 0.579 nan 8.370 nan 0.000 0.450 1044 W N 1.078 122.348 121.300 -0.051 0.000 2.381 1044 W HA -0.215 4.446 4.660 0.002 0.000 0.321 1044 W C 2.294 178.790 176.519 -0.038 0.000 1.196 1044 W CA 1.409 58.765 57.345 0.018 0.000 1.304 1044 W CB -0.730 28.834 29.460 0.173 0.000 1.166 1044 W HN -0.222 nan 8.180 nan 0.000 0.473 1045 V N 1.379 121.322 119.914 0.047 0.000 2.357 1045 V HA -0.371 3.750 4.120 0.002 0.000 0.257 1045 V C 2.258 178.125 176.094 -0.379 0.000 1.082 1045 V CA 2.058 64.205 62.300 -0.256 0.000 1.078 1045 V CB -1.330 30.411 31.823 -0.137 0.000 0.663 1045 V HN 0.279 nan 8.190 nan 0.000 0.455 1046 L N -0.344 120.643 121.223 -0.394 0.000 1.950 1046 L HA -0.111 4.230 4.340 0.002 0.000 0.210 1046 L C 2.713 179.452 176.870 -0.218 0.000 1.079 1046 L CA 2.317 56.962 54.840 -0.324 0.000 0.754 1046 L CB -1.034 40.833 42.059 -0.320 0.000 0.889 1046 L HN 0.315 nan 8.230 nan 0.000 0.433 1047 S N -0.708 114.894 115.700 -0.163 0.000 2.421 1047 S HA -0.308 4.163 4.470 0.002 0.000 0.239 1047 S C 1.921 176.411 174.600 -0.183 0.000 1.054 1047 S CA 2.014 60.144 58.200 -0.117 0.000 1.035 1047 S CB -0.565 62.611 63.200 -0.041 0.000 0.840 1047 S HN 0.511 nan 8.310 nan 0.000 0.475 1048 N N -0.019 118.472 118.700 -0.349 0.000 2.047 1048 N HA -0.052 4.690 4.740 0.002 0.000 0.193 1048 N C 1.857 177.239 175.510 -0.213 0.000 1.055 1048 N CA 1.647 54.449 53.050 -0.414 0.000 0.847 1048 N CB -0.267 37.743 38.487 -0.794 0.000 1.038 1048 N HN 0.383 nan 8.380 nan 0.000 0.427 1049 I N 1.600 122.063 120.570 -0.178 0.000 2.113 1049 I HA -0.363 3.808 4.170 0.002 0.000 0.242 1049 I C 2.529 178.672 176.117 0.044 0.000 1.057 1049 I CA 1.595 62.881 61.300 -0.022 0.000 1.314 1049 I CB -0.407 37.601 38.000 0.013 0.000 1.022 1049 I HN 0.382 nan 8.210 nan 0.000 0.408 1050 E N 1.060 121.252 120.200 -0.015 0.000 2.055 1050 E HA -0.345 4.006 4.350 0.002 0.000 0.209 1050 E C 2.091 178.716 176.600 0.042 0.000 1.036 1050 E CA 2.271 58.668 56.400 -0.005 0.000 0.849 1050 E CB -0.299 29.377 29.700 -0.041 0.000 0.767 1050 E HN 0.486 nan 8.360 nan 0.000 0.461 1051 A N 0.518 123.339 122.820 0.001 0.000 1.858 1051 A HA -0.248 4.073 4.320 0.002 0.000 0.216 1051 A C 2.312 179.915 177.584 0.031 0.000 1.190 1051 A CA 1.779 53.823 52.037 0.012 0.000 0.617 1051 A CB -0.829 18.161 19.000 -0.017 0.000 0.827 1051 A HN 0.436 nan 8.150 nan 0.000 0.443 1052 Q N -1.570 118.235 119.800 0.008 0.000 2.133 1052 Q HA -0.242 4.099 4.340 0.002 0.000 0.208 1052 Q C 1.881 177.891 176.000 0.018 0.000 0.991 1052 Q CA 2.060 57.867 55.803 0.007 0.000 0.867 1052 Q CB -0.353 28.375 28.738 -0.015 0.000 0.911 1052 Q HN 0.745 nan 8.270 nan 0.000 0.417 1053 F N 0.801 120.696 119.950 -0.091 0.000 1.990 1053 F HA -0.255 4.274 4.527 0.002 0.000 0.294 1053 F C 2.299 178.021 175.800 -0.130 0.000 1.177 1053 F CA 1.394 59.305 58.000 -0.148 0.000 1.167 1053 F CB -0.526 38.397 39.000 -0.128 0.000 0.971 1053 F HN -0.012 nan 8.300 nan 0.000 0.483 1054 L N 0.316 121.734 121.223 0.325 0.000 2.232 1054 L HA -0.387 3.954 4.340 0.002 0.000 0.219 1054 L C 2.546 179.417 176.870 0.001 0.000 1.086 1054 L CA 1.664 56.606 54.840 0.170 0.000 0.789 1054 L CB -0.669 41.453 42.059 0.103 0.000 0.890 1054 L HN 0.272 nan 8.230 nan 0.000 0.441 1055 R N -1.065 119.404 120.500 -0.051 0.000 2.148 1055 R HA -0.069 4.272 4.340 0.002 0.000 0.227 1055 R C 2.120 178.191 176.300 -0.382 0.000 1.103 1055 R CA 1.309 57.338 56.100 -0.118 0.000 0.983 1055 R CB -0.162 30.108 30.300 -0.049 0.000 0.874 1055 R HN 0.288 nan 8.270 nan 0.000 0.451 1056 S N 0.304 115.730 115.700 -0.458 0.000 2.603 1056 S HA 0.048 4.519 4.470 0.002 0.000 0.220 1056 S C 0.701 175.007 174.600 -0.489 0.000 0.967 1056 S CA -0.092 57.718 58.200 -0.649 0.000 0.920 1056 S CB 0.257 63.130 63.200 -0.545 0.000 0.773 1056 S HN -0.021 nan 8.310 nan 0.000 0.529 1057 V N 2.932 122.652 119.914 -0.323 0.000 2.963 1057 V HA 0.063 4.184 4.120 0.002 0.000 0.306 1057 V C 0.308 176.334 176.094 -0.115 0.000 1.077 1057 V CA -0.319 61.879 62.300 -0.171 0.000 1.124 1057 V CB 1.095 32.878 31.823 -0.068 0.000 0.987 1057 V HN 0.197 nan 8.190 nan 0.000 0.487 1058 V N 4.574 124.426 119.914 -0.103 0.000 2.572 1058 V HA 0.162 4.283 4.120 0.002 0.000 0.291 1058 V C 0.443 176.524 176.094 -0.022 0.000 1.039 1058 V CA -0.487 61.734 62.300 -0.131 0.000 1.055 1058 V CB -0.112 31.543 31.823 -0.281 0.000 0.969 1058 V HN 0.771 nan 8.190 nan 0.000 0.482 1059 H N 4.965 123.919 119.070 -0.193 0.000 2.767 1059 H HA 0.162 4.719 4.556 0.002 0.000 0.316 1059 H C -2.212 172.980 175.328 -0.226 0.000 1.059 1059 H CA -1.737 54.211 56.048 -0.167 0.000 1.461 1059 H CB 1.172 30.865 29.762 -0.115 0.000 1.475 1059 H HN 0.488 nan 8.280 nan 0.000 0.531 1060 P HA -0.035 nan 4.420 nan 0.000 0.258 1060 P C 0.699 177.721 177.300 -0.463 0.000 1.214 1060 P CA 0.851 63.635 63.100 -0.526 0.000 0.872 1060 P CB 0.400 31.470 31.700 -1.049 0.000 0.890 1061 G N 2.517 111.160 108.800 -0.261 0.000 4.172 1061 G HA2 -0.132 3.829 3.960 0.002 0.000 0.204 1061 G HA3 -0.132 3.829 3.960 0.002 0.000 0.204 1061 G C -0.156 174.672 174.900 -0.119 0.000 1.256 1061 G CA -0.516 44.512 45.100 -0.120 0.000 0.886 1061 G HN 0.382 nan 8.290 nan 0.000 0.344 1062 E N 1.943 122.074 120.200 -0.114 0.000 3.131 1062 E HA -0.029 4.323 4.350 0.002 0.000 0.258 1062 E C 0.243 176.768 176.600 -0.125 0.000 0.901 1062 E CA 0.656 56.980 56.400 -0.126 0.000 0.964 1062 E CB 0.155 29.743 29.700 -0.186 0.000 0.903 1062 E HN 0.237 nan 8.360 nan 0.000 0.537 1063 M N 4.521 124.064 119.600 -0.095 0.000 3.213 1063 M HA 0.032 4.514 4.480 0.002 0.000 0.275 1063 M C 0.808 177.075 176.300 -0.054 0.000 1.424 1063 M CA -0.195 55.055 55.300 -0.082 0.000 1.561 1063 M CB -0.071 32.485 32.600 -0.074 0.000 1.109 1063 M HN 0.162 nan 8.290 nan 0.000 0.552 1064 V N 0.497 120.394 119.914 -0.028 0.000 3.305 1064 V HA -0.042 4.079 4.120 0.002 0.000 0.269 1064 V C 2.153 178.272 176.094 0.040 0.000 1.157 1064 V CA 1.477 63.815 62.300 0.065 0.000 1.157 1064 V CB -1.296 30.673 31.823 0.244 0.000 0.772 1064 V HN 0.803 nan 8.190 nan 0.000 0.498 1065 G N 0.911 109.696 108.800 -0.025 0.000 2.464 1065 G HA2 -0.184 3.777 3.960 0.002 0.000 0.214 1065 G HA3 -0.184 3.777 3.960 0.002 0.000 0.214 1065 G C 1.591 176.441 174.900 -0.084 0.000 1.218 1065 G CA 1.257 46.317 45.100 -0.065 0.000 0.794 1065 G HN 0.355 nan 8.290 nan 0.000 0.542 1066 V N 1.051 120.914 119.914 -0.084 0.000 2.282 1066 V HA -0.163 3.958 4.120 0.002 0.000 0.249 1066 V C 2.792 178.823 176.094 -0.104 0.000 1.057 1066 V CA 1.344 63.586 62.300 -0.096 0.000 1.032 1066 V CB -0.607 31.168 31.823 -0.081 0.000 0.645 1066 V HN 0.226 nan 8.190 nan 0.000 0.447 1067 L N 0.504 121.681 121.223 -0.075 0.000 1.963 1067 L HA -0.243 4.099 4.340 0.002 0.000 0.220 1067 L C 2.644 179.393 176.870 -0.201 0.000 1.076 1067 L CA 2.903 57.685 54.840 -0.096 0.000 0.772 1067 L CB -1.645 40.429 42.059 0.025 0.000 0.892 1067 L HN 0.375 nan 8.230 nan 0.000 0.435 1068 A N -1.035 121.731 122.820 -0.091 0.000 1.978 1068 A HA -0.136 4.186 4.320 0.002 0.000 0.220 1068 A C 2.424 179.907 177.584 -0.168 0.000 1.170 1068 A CA 1.936 53.911 52.037 -0.104 0.000 0.636 1068 A CB -0.718 18.305 19.000 0.038 0.000 0.810 1068 A HN 0.556 nan 8.150 nan 0.000 0.448 1069 A N -0.533 122.193 122.820 -0.158 0.000 1.835 1069 A HA -0.239 4.083 4.320 0.002 0.000 0.215 1069 A C 2.123 179.597 177.584 -0.182 0.000 1.199 1069 A CA 1.696 53.632 52.037 -0.167 0.000 0.615 1069 A CB -0.811 18.088 19.000 -0.169 0.000 0.838 1069 A HN 0.615 nan 8.150 nan 0.000 0.444 1070 Q N -0.203 119.481 119.800 -0.193 0.000 2.062 1070 Q HA -0.193 4.148 4.340 0.002 0.000 0.209 1070 Q C 2.439 178.289 176.000 -0.251 0.000 0.996 1070 Q CA 2.063 57.736 55.803 -0.218 0.000 0.859 1070 Q CB -0.426 28.192 28.738 -0.199 0.000 0.920 1070 Q HN 0.650 nan 8.270 nan 0.000 0.415 1071 S N 0.492 116.009 115.700 -0.307 0.000 2.420 1071 S HA -0.126 4.345 4.470 0.002 0.000 0.237 1071 S C 1.831 176.302 174.600 -0.216 0.000 1.023 1071 S CA 1.001 58.992 58.200 -0.347 0.000 0.991 1071 S CB -0.118 62.592 63.200 -0.816 0.000 0.792 1071 S HN 0.290 nan 8.310 nan 0.000 0.488 1072 I N 0.577 121.039 120.570 -0.180 0.000 3.035 1072 I HA 0.062 4.234 4.170 0.002 0.000 0.271 1072 I C 2.524 178.567 176.117 -0.124 0.000 1.190 1072 I CA 0.482 61.709 61.300 -0.120 0.000 1.472 1072 I CB -0.470 37.472 38.000 -0.097 0.000 1.116 1072 I HN 0.332 nan 8.210 nan 0.000 0.443 1073 G N 0.491 109.202 108.800 -0.149 0.000 2.433 1073 G HA2 -0.246 3.716 3.960 0.002 0.000 0.216 1073 G HA3 -0.246 3.716 3.960 0.002 0.000 0.216 1073 G C 1.494 176.308 174.900 -0.144 0.000 1.186 1073 G CA 0.481 45.498 45.100 -0.139 0.000 0.779 1073 G HN 0.269 nan 8.290 nan 0.000 0.543 1074 E N 0.959 121.038 120.200 -0.202 0.000 2.021 1074 E HA -0.143 4.209 4.350 0.002 0.000 0.200 1074 E C 0.013 176.544 176.600 -0.115 0.000 1.015 1074 E CA 1.805 58.079 56.400 -0.210 0.000 0.824 1074 E CB -0.845 28.653 29.700 -0.336 0.000 0.762 1074 E HN 0.330 nan 8.360 nan 0.000 0.454 1075 P HA -0.053 nan 4.420 nan 0.000 0.234 1075 P C 0.814 178.081 177.300 -0.055 0.000 1.167 1075 P CA 1.215 64.280 63.100 -0.058 0.000 0.763 1075 P CB -0.029 31.639 31.700 -0.052 0.000 0.835 1076 A N 0.575 123.357 122.820 -0.064 0.000 1.873 1076 A HA -0.112 4.209 4.320 0.002 0.000 0.215 1076 A C 2.212 179.773 177.584 -0.038 0.000 1.186 1076 A CA 2.138 54.145 52.037 -0.049 0.000 0.616 1076 A CB -1.858 17.110 19.000 -0.053 0.000 0.823 1076 A HN 0.200 nan 8.150 nan 0.000 0.442 1077 T N 0.346 114.872 114.554 -0.046 0.000 2.929 1077 T HA -0.104 4.248 4.350 0.002 0.000 0.271 1077 T C 1.275 175.959 174.700 -0.026 0.000 1.085 1077 T CA 1.287 63.366 62.100 -0.035 0.000 1.125 1077 T CB -0.200 68.641 68.868 -0.046 0.000 0.874 1077 T HN 0.425 nan 8.240 nan 0.000 0.494 1078 Q N 0.394 120.177 119.800 -0.028 0.000 2.291 1078 Q HA 0.304 4.646 4.340 0.002 0.000 0.211 1078 Q C 0.040 176.030 176.000 -0.015 0.000 0.925 1078 Q CA 0.217 56.008 55.803 -0.019 0.000 0.949 1078 Q CB -0.504 28.223 28.738 -0.019 0.000 1.015 1078 Q HN 0.598 nan 8.270 nan 0.000 0.477 1079 M N 0.223 119.814 119.600 -0.015 0.000 2.294 1079 M HA 0.452 4.934 4.480 0.002 0.000 0.335 1079 M C -0.473 175.825 176.300 -0.004 0.000 1.079 1079 M CA -0.022 55.272 55.300 -0.010 0.000 0.982 1079 M CB 2.202 34.795 32.600 -0.013 0.000 1.651 1079 M HN -0.148 nan 8.290 nan 0.000 0.437 1080 T N 2.101 116.655 114.554 -0.000 0.000 2.722 1080 T HA 0.620 4.972 4.350 0.002 0.000 0.314 1080 T C -1.280 173.424 174.700 0.007 0.000 1.675 1080 T CA -0.829 61.273 62.100 0.004 0.000 1.003 1080 T CB 1.605 70.475 68.868 0.004 0.000 1.602 1080 T HN 0.601 nan 8.240 nan 0.000 0.496 1093 K N 0.610 121.023 120.400 0.022 0.000 2.764 1093 K HA 0.483 4.804 4.320 0.002 0.000 0.239 1093 K C -0.858 175.758 176.600 0.027 0.000 1.048 1093 K CA -0.476 55.823 56.287 0.021 0.000 1.057 1093 K CB 1.923 34.433 32.500 0.017 0.000 1.251 1093 K HN 0.093 nan 8.250 nan 0.000 0.524 1094 V N -0.769 119.162 119.914 0.028 0.000 3.048 1094 V HA 0.455 4.576 4.120 0.002 0.000 0.303 1094 V C -0.183 175.930 176.094 0.032 0.000 1.214 1094 V CA -1.377 60.943 62.300 0.033 0.000 0.984 1094 V CB 1.935 33.784 31.823 0.044 0.000 1.054 1094 V HN 0.685 nan 8.190 nan 0.000 0.430 1095 T N 0.958 115.532 114.554 0.034 0.000 2.754 1095 T HA 0.486 4.838 4.350 0.002 0.000 0.282 1095 T C 0.326 175.050 174.700 0.039 0.000 0.923 1095 T CA 0.239 62.361 62.100 0.036 0.000 1.164 1095 T CB -0.021 68.870 68.868 0.039 0.000 0.873 1095 T HN 1.292 nan 8.240 nan 0.000 0.537 1096 S N 2.251 117.969 115.700 0.030 0.000 2.740 1096 S HA 0.934 5.406 4.470 0.002 0.000 0.300 1096 S C 0.453 175.063 174.600 0.017 0.000 1.147 1096 S CA -0.300 57.914 58.200 0.024 0.000 0.871 1096 S CB 1.421 64.632 63.200 0.019 0.000 1.173 1096 S HN 1.921 nan 8.310 nan 0.000 0.510 1097 G N -0.075 108.730 108.800 0.008 0.000 2.804 1097 G HA2 -0.166 3.795 3.960 0.002 0.000 0.230 1097 G HA3 -0.166 3.795 3.960 0.002 0.000 0.230 1097 G C 0.588 175.493 174.900 0.009 0.000 1.386 1097 G CA -0.206 44.896 45.100 0.004 0.000 0.875 1097 G HN 1.608 nan 8.290 nan 0.000 0.557 1098 V N 1.949 121.868 119.914 0.008 0.000 2.277 1098 V HA -0.247 3.875 4.120 0.002 0.000 0.255 1098 V C 0.967 177.077 176.094 0.027 0.000 1.074 1098 V CA 3.324 65.632 62.300 0.014 0.000 1.058 1098 V CB -1.596 30.237 31.823 0.016 0.000 0.656 1098 V HN 0.806 nan 8.190 nan 0.000 0.449 1099 P HA -0.203 nan 4.420 nan 0.000 0.215 1099 P C 1.624 178.952 177.300 0.047 0.000 1.157 1099 P CA 1.753 64.877 63.100 0.040 0.000 0.868 1099 P CB -0.120 31.600 31.700 0.034 0.000 0.788 1100 R N 0.101 120.627 120.500 0.043 0.000 2.083 1100 R HA -0.132 4.209 4.340 0.002 0.000 0.237 1100 R C 2.347 178.682 176.300 0.059 0.000 1.137 1100 R CA 1.221 57.355 56.100 0.056 0.000 0.951 1100 R CB -1.817 28.513 30.300 0.050 0.000 0.851 1100 R HN 0.055 nan 8.270 nan 0.000 0.434 1101 L N 1.176 122.420 121.223 0.035 0.000 1.990 1101 L HA -0.198 4.144 4.340 0.002 0.000 0.213 1101 L C 2.242 179.138 176.870 0.043 0.000 1.072 1101 L CA 2.212 57.065 54.840 0.023 0.000 0.755 1101 L CB -0.755 41.305 42.059 0.002 0.000 0.889 1101 L HN 0.284 nan 8.230 nan 0.000 0.432 1102 K N -0.673 119.759 120.400 0.054 0.000 2.044 1102 K HA -0.261 4.060 4.320 0.002 0.000 0.210 1102 K C 2.076 178.732 176.600 0.093 0.000 1.049 1102 K CA 2.123 58.455 56.287 0.074 0.000 0.927 1102 K CB -0.194 32.354 32.500 0.081 0.000 0.713 1102 K HN 0.453 nan 8.250 nan 0.000 0.443 1103 E N 0.164 120.421 120.200 0.096 0.000 2.118 1103 E HA -0.192 4.159 4.350 0.002 0.000 0.195 1103 E C 2.007 178.717 176.600 0.183 0.000 0.992 1103 E CA 1.105 57.576 56.400 0.119 0.000 0.804 1103 E CB 0.019 29.782 29.700 0.104 0.000 0.741 1103 E HN 0.333 nan 8.360 nan 0.000 0.458 1104 I N 0.446 121.125 120.570 0.182 0.000 2.202 1104 I HA -0.252 3.920 4.170 0.002 0.000 0.242 1104 I C 2.215 178.436 176.117 0.173 0.000 1.091 1104 I CA 1.189 62.619 61.300 0.218 0.000 1.368 1104 I CB -0.503 37.520 38.000 0.039 0.000 1.058 1104 I HN 0.170 nan 8.210 nan 0.000 0.410 1105 L N 0.564 121.845 121.223 0.098 0.000 2.313 1105 L HA -0.075 4.267 4.340 0.002 0.000 0.214 1105 L C 1.898 178.843 176.870 0.126 0.000 1.119 1105 L CA 0.819 55.705 54.840 0.077 0.000 0.809 1105 L CB -0.715 41.361 42.059 0.028 0.000 0.933 1105 L HN 0.201 nan 8.230 nan 0.000 0.449 1106 N N -0.356 118.430 118.700 0.145 0.000 2.520 1106 N HA -0.040 4.701 4.740 0.002 0.000 0.185 1106 N C 0.104 175.714 175.510 0.167 0.000 1.068 1106 N CA 0.312 53.455 53.050 0.155 0.000 0.911 1106 N CB -0.023 38.548 38.487 0.140 0.000 0.961 1106 N HN -0.033 nan 8.380 nan 0.000 0.446 1107 V N 0.174 120.214 119.914 0.210 0.000 5.702 1107 V HA -0.251 3.870 4.120 0.002 0.000 0.268 1107 V C 0.280 176.435 176.094 0.102 0.000 0.689 1107 V CA 0.173 62.601 62.300 0.214 0.000 0.965 1107 V CB -2.335 29.601 31.823 0.188 0.000 1.107 1107 V HN 0.403 nan 8.190 nan 0.000 0.434 1108 A N 4.838 127.705 122.820 0.079 0.000 2.376 1108 A HA 0.501 4.822 4.320 0.002 0.000 0.298 1108 A C 1.107 178.659 177.584 -0.054 0.000 1.271 1108 A CA -0.156 51.895 52.037 0.025 0.000 0.926 1108 A CB 0.297 19.327 19.000 0.051 0.000 1.141 1108 A HN 0.841 nan 8.150 nan 0.000 0.539 1109 K N 1.650 122.029 120.400 -0.036 0.000 2.400 1109 K HA 0.025 4.347 4.320 0.002 0.000 0.194 1109 K C -0.155 176.419 176.600 -0.043 0.000 1.033 1109 K CA 0.395 56.648 56.287 -0.056 0.000 1.021 1109 K CB 0.221 32.698 32.500 -0.038 0.000 0.808 1109 K HN 0.640 nan 8.250 nan 0.000 0.505 1110 N N 2.280 120.966 118.700 -0.023 0.000 2.908 1110 N HA 0.081 4.823 4.740 0.002 0.000 0.316 1110 N C -0.372 175.131 175.510 -0.011 0.000 1.619 1110 N CA -0.091 52.950 53.050 -0.014 0.000 1.045 1110 N CB 0.504 38.991 38.487 -0.000 0.000 1.357 1110 N HN 0.272 nan 8.380 nan 0.000 0.501 1111 M N -0.790 118.793 119.600 -0.028 0.000 2.211 1111 M HA 0.271 4.752 4.480 0.002 0.000 0.356 1111 M C 0.466 176.761 176.300 -0.009 0.000 1.216 1111 M CA -0.078 55.211 55.300 -0.018 0.000 1.134 1111 M CB 1.664 34.237 32.600 -0.045 0.000 1.564 1111 M HN -0.225 nan 8.290 nan 0.000 0.463 1112 K N 2.045 122.449 120.400 0.006 0.000 1.991 1112 K HA 0.069 4.390 4.320 0.002 0.000 0.207 1112 K C 0.169 176.772 176.600 0.006 0.000 1.045 1112 K CA 1.430 57.722 56.287 0.009 0.000 0.937 1112 K CB 0.153 32.663 32.500 0.017 0.000 0.720 1112 K HN 0.818 nan 8.250 nan 0.000 0.438 1113 T N 3.610 118.170 114.554 0.010 0.000 3.145 1113 T HA 0.318 4.669 4.350 0.002 0.000 0.362 1113 T C -2.659 172.038 174.700 -0.004 0.000 1.340 1113 T CA -1.612 60.492 62.100 0.007 0.000 1.069 1113 T CB 1.216 70.094 68.868 0.018 0.000 1.129 1113 T HN -0.049 nan 8.240 nan 0.000 0.585 1114 P HA 0.503 nan 4.420 nan 0.000 0.278 1114 P C -0.618 176.660 177.300 -0.037 0.000 1.238 1114 P CA -0.520 62.556 63.100 -0.041 0.000 0.794 1114 P CB 0.962 32.631 31.700 -0.051 0.000 0.955 1115 S N 2.589 118.254 115.700 -0.057 0.000 2.562 1115 S HA 0.458 4.929 4.470 0.002 0.000 0.274 1115 S C -1.199 173.346 174.600 -0.091 0.000 1.160 1115 S CA -0.741 57.427 58.200 -0.054 0.000 0.933 1115 S CB 0.291 63.476 63.200 -0.026 0.000 1.100 1115 S HN 0.097 nan 8.310 nan 0.000 0.468 1116 L N 2.679 123.854 121.223 -0.079 0.000 2.448 1116 L HA 0.685 5.026 4.340 0.002 0.000 0.258 1116 L C 0.555 177.363 176.870 -0.103 0.000 1.104 1116 L CA -0.130 54.651 54.840 -0.098 0.000 0.800 1116 L CB 1.328 43.340 42.059 -0.077 0.000 1.241 1116 L HN 0.976 nan 8.230 nan 0.000 0.472 1117 T N 0.191 114.662 114.554 -0.138 0.000 3.999 1117 T HA 0.210 4.561 4.350 0.002 0.000 0.222 1117 T C -0.301 174.165 174.700 -0.392 0.000 0.996 1117 T CA -0.454 61.508 62.100 -0.230 0.000 1.598 1117 T CB 0.324 69.108 68.868 -0.140 0.000 0.762 1117 T HN 0.291 nan 8.240 nan 0.000 0.632 1118 V N 0.680 120.434 119.914 -0.267 0.000 2.901 1118 V HA 0.316 4.437 4.120 0.002 0.000 0.307 1118 V C -0.291 175.623 176.094 -0.299 0.000 1.084 1118 V CA -0.207 61.967 62.300 -0.209 0.000 1.184 1118 V CB -0.227 31.544 31.823 -0.086 0.000 0.941 1118 V HN 0.553 nan 8.190 nan 0.000 0.493 1119 Y N 2.214 122.529 120.300 0.025 0.000 2.429 1119 Y HA 0.599 5.150 4.550 0.002 0.000 0.342 1119 Y C 0.213 176.141 175.900 0.046 0.000 1.004 1119 Y CA -1.105 57.014 58.100 0.033 0.000 1.075 1119 Y CB 1.796 40.286 38.460 0.049 0.000 1.214 1119 Y HN 0.505 nan 8.280 nan 0.000 0.455 1120 L N 2.031 123.403 121.223 0.249 0.000 2.482 1120 L HA -0.004 4.338 4.340 0.002 0.000 0.273 1120 L C 0.475 177.443 176.870 0.163 0.000 1.228 1120 L CA 0.331 55.279 54.840 0.180 0.000 0.827 1120 L CB 0.272 42.448 42.059 0.194 0.000 1.099 1120 L HN 0.611 nan 8.230 nan 0.000 0.494 1121 E N 3.843 124.143 120.200 0.167 0.000 2.465 1121 E HA -0.054 4.297 4.350 0.002 0.000 0.260 1121 E C -1.573 175.075 176.600 0.080 0.000 0.980 1121 E CA -1.039 55.448 56.400 0.145 0.000 0.927 1121 E CB 0.744 30.589 29.700 0.241 0.000 0.934 1121 E HN 0.355 nan 8.360 nan 0.000 0.459 1122 P HA -0.283 nan 4.420 nan 0.000 0.226 1122 P C 0.949 178.225 177.300 -0.040 0.000 1.154 1122 P CA 1.964 65.061 63.100 -0.005 0.000 0.901 1122 P CB 0.041 31.731 31.700 -0.017 0.000 0.788 1123 G N -0.722 108.009 108.800 -0.114 0.000 2.556 1123 G HA2 -0.145 3.816 3.960 0.002 0.000 0.215 1123 G HA3 -0.145 3.816 3.960 0.002 0.000 0.215 1123 G C 0.417 175.211 174.900 -0.177 0.000 1.258 1123 G CA 0.294 45.263 45.100 -0.218 0.000 0.811 1123 G HN 0.306 nan 8.290 nan 0.000 0.557 1124 H N 1.017 120.107 119.070 0.034 0.000 3.070 1124 H HA 0.363 4.921 4.556 0.002 0.000 0.313 1124 H C 0.817 176.190 175.328 0.074 0.000 0.997 1124 H CA 0.502 56.578 56.048 0.046 0.000 1.438 1124 H CB 1.112 30.895 29.762 0.035 0.000 1.455 1124 H HN 0.330 nan 8.280 nan 0.000 0.575 1125 A N 3.037 125.977 122.820 0.199 0.000 1.848 1125 A HA 0.399 4.720 4.320 0.002 0.000 0.184 1125 A C 1.749 179.498 177.584 0.276 0.000 1.946 1125 A CA 0.470 52.620 52.037 0.188 0.000 1.093 1125 A CB -0.470 18.601 19.000 0.119 0.000 1.014 1125 A HN 0.596 nan 8.150 nan 0.000 0.638 1126 A N -0.205 122.768 122.820 0.256 0.000 2.251 1126 A HA 0.216 4.537 4.320 0.002 0.000 0.209 1126 A C 0.343 178.107 177.584 0.301 0.000 1.187 1126 A CA 0.315 52.573 52.037 0.368 0.000 0.823 1126 A CB -0.352 18.791 19.000 0.239 0.000 0.846 1126 A HN 0.331 nan 8.150 nan 0.000 0.486 1127 D N 1.065 121.569 120.400 0.174 0.000 2.429 1127 D HA 0.052 4.693 4.640 0.002 0.000 0.253 1127 D C 1.359 177.560 176.300 -0.166 0.000 1.294 1127 D CA 0.233 54.252 54.000 0.031 0.000 1.063 1127 D CB 0.474 41.306 40.800 0.052 0.000 1.096 1127 D HN 0.663 nan 8.370 nan 0.000 0.516 1128 Q N 1.607 121.227 119.800 -0.299 0.000 2.389 1128 Q HA -0.038 4.304 4.340 0.002 0.000 0.204 1128 Q C 1.439 177.140 176.000 -0.498 0.000 0.944 1128 Q CA 0.921 56.273 55.803 -0.752 0.000 0.908 1128 Q CB 0.138 28.401 28.738 -0.793 0.000 1.002 1128 Q HN 0.360 nan 8.270 nan 0.000 0.493 1129 E N 0.304 120.336 120.200 -0.280 0.000 2.230 1129 E HA -0.190 4.161 4.350 0.002 0.000 0.192 1129 E C 1.837 178.314 176.600 -0.206 0.000 0.987 1129 E CA 0.840 57.113 56.400 -0.212 0.000 0.841 1129 E CB 0.238 29.856 29.700 -0.137 0.000 0.783 1129 E HN 0.584 nan 8.360 nan 0.000 0.481 1130 Q N 0.587 120.262 119.800 -0.210 0.000 2.123 1130 Q HA -0.078 4.263 4.340 0.002 0.000 0.199 1130 Q C 1.893 177.772 176.000 -0.201 0.000 0.966 1130 Q CA 1.631 57.307 55.803 -0.210 0.000 0.845 1130 Q CB -0.229 28.362 28.738 -0.245 0.000 0.907 1130 Q HN 0.229 nan 8.270 nan 0.000 0.439 1131 A N 1.154 123.825 122.820 -0.248 0.000 1.870 1131 A HA -0.349 3.972 4.320 0.002 0.000 0.219 1131 A C 2.046 179.507 177.584 -0.204 0.000 1.224 1131 A CA 2.293 54.186 52.037 -0.241 0.000 0.650 1131 A CB -0.802 17.923 19.000 -0.459 0.000 0.836 1131 A HN 0.462 nan 8.150 nan 0.000 0.454 1132 K N -0.421 119.833 120.400 -0.242 0.000 2.089 1132 K HA -0.139 4.182 4.320 0.002 0.000 0.210 1132 K C 1.868 178.378 176.600 -0.150 0.000 1.048 1132 K CA 1.734 57.901 56.287 -0.200 0.000 0.926 1132 K CB -0.458 31.925 32.500 -0.195 0.000 0.714 1132 K HN 0.541 nan 8.250 nan 0.000 0.448 1133 L N 0.374 121.514 121.223 -0.138 0.000 2.042 1133 L HA -0.192 4.149 4.340 0.002 0.000 0.210 1133 L C 2.178 178.994 176.870 -0.090 0.000 1.076 1133 L CA 1.333 56.108 54.840 -0.108 0.000 0.749 1133 L CB -0.586 41.407 42.059 -0.110 0.000 0.893 1133 L HN 0.225 nan 8.230 nan 0.000 0.432 1134 I N -0.916 119.598 120.570 -0.093 0.000 2.761 1134 I HA -0.173 3.998 4.170 0.002 0.000 0.261 1134 I C 2.694 178.774 176.117 -0.062 0.000 1.198 1134 I CA 0.528 61.788 61.300 -0.066 0.000 1.482 1134 I CB -0.380 37.587 38.000 -0.054 0.000 1.100 1134 I HN 0.178 nan 8.210 nan 0.000 0.445 1135 R N 1.846 122.296 120.500 -0.084 0.000 2.070 1135 R HA -0.171 4.170 4.340 0.002 0.000 0.232 1135 R C 2.154 178.417 176.300 -0.061 0.000 1.138 1135 R CA 2.141 58.190 56.100 -0.085 0.000 0.936 1135 R CB -0.232 29.982 30.300 -0.144 0.000 0.839 1135 R HN 0.418 nan 8.270 nan 0.000 0.429 1136 S N -1.210 114.448 115.700 -0.069 0.000 2.660 1136 S HA 0.269 4.740 4.470 0.002 0.000 0.227 1136 S C 1.029 175.610 174.600 -0.032 0.000 0.948 1136 S CA 0.027 58.201 58.200 -0.044 0.000 0.948 1136 S CB 1.135 64.302 63.200 -0.055 0.000 0.779 1136 S HN 0.434 nan 8.310 nan 0.000 0.487 1137 A N 0.806 123.606 122.820 -0.033 0.000 2.308 1137 A HA 0.469 4.791 4.320 0.002 0.000 0.217 1137 A C 1.437 179.013 177.584 -0.014 0.000 1.216 1137 A CA -0.005 52.017 52.037 -0.025 0.000 0.864 1137 A CB -0.173 18.808 19.000 -0.032 0.000 0.902 1137 A HN 0.571 nan 8.150 nan 0.000 0.499 1138 I N -1.427 119.138 120.570 -0.008 0.000 3.650 1138 I HA 0.123 4.294 4.170 0.002 0.000 0.261 1138 I C 0.837 176.970 176.117 0.026 0.000 1.154 1138 I CA 0.145 61.444 61.300 -0.001 0.000 1.418 1138 I CB -1.363 36.630 38.000 -0.011 0.000 1.539 1138 I HN 0.356 nan 8.210 nan 0.000 0.449 1139 E N 3.171 123.392 120.200 0.035 0.000 2.606 1139 E HA -0.180 4.171 4.350 0.002 0.000 0.248 1139 E C -0.114 176.550 176.600 0.108 0.000 1.005 1139 E CA 0.212 56.654 56.400 0.070 0.000 0.946 1139 E CB 0.077 29.822 29.700 0.075 0.000 0.928 1139 E HN 0.152 nan 8.360 nan 0.000 0.494 1140 H N 3.449 122.517 119.070 -0.004 0.000 3.004 1140 H HA 0.111 4.668 4.556 0.002 0.000 0.316 1140 H C -1.015 174.307 175.328 -0.009 0.000 1.014 1140 H CA 0.355 56.396 56.048 -0.012 0.000 1.454 1140 H CB 0.549 30.303 29.762 -0.015 0.000 1.472 1140 H HN 0.327 nan 8.280 nan 0.000 0.571 1141 T N 5.302 119.748 114.554 -0.181 0.000 2.841 1141 T HA 0.347 4.699 4.350 0.002 0.000 0.285 1141 T C -0.362 174.118 174.700 -0.367 0.000 0.991 1141 T CA -0.805 61.141 62.100 -0.257 0.000 0.966 1141 T CB 0.921 69.731 68.868 -0.097 0.000 0.962 1141 T HN 0.715 nan 8.240 nan 0.000 0.438 1142 T N 0.841 115.166 114.554 -0.382 0.000 2.925 1142 T HA 0.465 4.817 4.350 0.002 0.000 0.285 1142 T C 1.266 175.892 174.700 -0.123 0.000 1.021 1142 T CA -0.944 61.020 62.100 -0.226 0.000 1.042 1142 T CB 1.176 69.927 68.868 -0.195 0.000 1.037 1142 T HN 0.237 nan 8.240 nan 0.000 0.481 1143 L N 1.236 122.414 121.223 -0.074 0.000 2.081 1143 L HA -0.028 4.314 4.340 0.002 0.000 0.212 1143 L C 2.533 179.379 176.870 -0.041 0.000 1.080 1143 L CA 1.923 56.734 54.840 -0.048 0.000 0.754 1143 L CB -0.991 41.056 42.059 -0.021 0.000 0.893 1143 L HN 0.932 nan 8.230 nan 0.000 0.433 1144 K N -0.656 119.718 120.400 -0.042 0.000 2.113 1144 K HA -0.177 4.145 4.320 0.002 0.000 0.208 1144 K C 1.739 178.315 176.600 -0.040 0.000 1.047 1144 K CA 1.693 57.961 56.287 -0.032 0.000 0.928 1144 K CB -0.188 32.293 32.500 -0.031 0.000 0.716 1144 K HN 0.595 nan 8.250 nan 0.000 0.446 1145 S N -0.294 115.368 115.700 -0.063 0.000 2.607 1145 S HA -0.009 4.462 4.470 0.002 0.000 0.224 1145 S C 1.250 175.821 174.600 -0.048 0.000 0.969 1145 S CA 0.534 58.697 58.200 -0.062 0.000 0.927 1145 S CB 0.297 63.444 63.200 -0.090 0.000 0.772 1145 S HN 0.287 nan 8.310 nan 0.000 0.533 1146 V N -3.184 116.706 119.914 -0.041 0.000 3.382 1146 V HA 0.303 4.424 4.120 0.002 0.000 0.296 1146 V C 0.060 176.143 176.094 -0.020 0.000 1.529 1146 V CA -0.386 61.895 62.300 -0.031 0.000 1.048 1146 V CB -0.520 31.280 31.823 -0.038 0.000 0.878 1146 V HN 0.259 nan 8.190 nan 0.000 0.442 1147 T N 2.759 117.304 114.554 -0.015 0.000 2.780 1147 T HA 0.535 4.886 4.350 0.002 0.000 0.294 1147 T C 1.202 175.903 174.700 0.001 0.000 0.949 1147 T CA -0.240 61.858 62.100 -0.003 0.000 1.074 1147 T CB 2.061 70.930 68.868 0.002 0.000 0.910 1147 T HN 0.006 nan 8.240 nan 0.000 0.501 1148 I N 1.557 122.132 120.570 0.007 0.000 2.146 1148 I HA 0.143 4.314 4.170 0.002 0.000 0.231 1148 I C 1.374 177.502 176.117 0.018 0.000 1.063 1148 I CA 0.892 62.199 61.300 0.012 0.000 1.340 1148 I CB -0.918 37.092 38.000 0.016 0.000 1.100 1148 I HN 0.651 nan 8.210 nan 0.000 0.403 1149 A N 0.439 123.275 122.820 0.028 0.000 2.414 1149 A HA 0.579 4.900 4.320 0.002 0.000 0.306 1149 A C -0.282 177.329 177.584 0.045 0.000 1.054 1149 A CA -0.380 51.679 52.037 0.038 0.000 0.724 1149 A CB 1.313 20.343 19.000 0.050 0.000 1.267 1149 A HN 0.360 nan 8.150 nan 0.000 0.418 1150 S N 1.264 116.992 115.700 0.047 0.000 2.489 1150 S HA 0.768 5.240 4.470 0.002 0.000 0.291 1150 S C -0.613 174.036 174.600 0.081 0.000 1.151 1150 S CA -0.552 57.681 58.200 0.055 0.000 1.082 1150 S CB 1.353 64.577 63.200 0.041 0.000 1.019 1150 S HN 0.675 nan 8.310 nan 0.000 0.492 1151 E N 1.173 121.441 120.200 0.114 0.000 2.308 1151 E HA 0.484 4.835 4.350 0.002 0.000 0.275 1151 E C -1.383 175.358 176.600 0.235 0.000 0.890 1151 E CA -0.592 55.929 56.400 0.201 0.000 0.754 1151 E CB 1.938 31.852 29.700 0.356 0.000 1.207 1151 E HN 0.610 nan 8.360 nan 0.000 0.426 1152 I N 2.705 123.406 120.570 0.220 0.000 2.392 1152 I HA 0.346 4.517 4.170 0.002 0.000 0.295 1152 I C -0.972 175.391 176.117 0.410 0.000 0.985 1152 I CA -0.290 61.155 61.300 0.241 0.000 1.221 1152 I CB 0.560 38.574 38.000 0.023 0.000 1.366 1152 I HN 0.412 nan 8.210 nan 0.000 0.467 1153 Y N 3.894 124.340 120.300 0.244 0.000 2.576 1153 Y HA 0.354 4.905 4.550 0.002 0.000 0.346 1153 Y C -0.952 175.258 175.900 0.516 0.000 1.018 1153 Y CA -0.970 57.302 58.100 0.287 0.000 1.050 1153 Y CB 1.500 40.058 38.460 0.163 0.000 1.280 1153 Y HN 0.359 nan 8.280 nan 0.000 0.474 1154 Y N 2.435 122.981 120.300 0.411 0.000 2.700 1154 Y HA 0.361 4.912 4.550 0.002 0.000 0.333 1154 Y C -0.843 175.067 175.900 0.017 0.000 1.036 1154 Y CA -0.686 57.482 58.100 0.114 0.000 1.287 1154 Y CB 0.100 38.545 38.460 -0.025 0.000 1.132 1154 Y HN 0.447 nan 8.280 nan 0.000 0.510 1155 D N 7.802 127.988 120.400 -0.357 0.000 2.461 1155 D HA 0.294 4.936 4.640 0.002 0.000 0.240 1155 D C -2.102 173.842 176.300 -0.593 0.000 1.094 1155 D CA -2.151 51.641 54.000 -0.347 0.000 0.868 1155 D CB 1.925 42.654 40.800 -0.118 0.000 1.062 1155 D HN 0.267 nan 8.370 nan 0.000 0.530 1156 P HA 0.069 nan 4.420 nan 0.000 0.238 1156 P C 0.177 177.282 177.300 -0.325 0.000 1.183 1156 P CA 0.038 62.763 63.100 -0.624 0.000 0.813 1156 P CB 0.580 31.897 31.700 -0.638 0.000 0.944 1157 D N 1.497 121.746 120.400 -0.251 0.000 2.508 1157 D HA 0.102 4.744 4.640 0.002 0.000 0.224 1157 D C -1.495 174.701 176.300 -0.173 0.000 1.171 1157 D CA -2.194 51.703 54.000 -0.173 0.000 1.006 1157 D CB 0.214 40.937 40.800 -0.127 0.000 1.073 1157 D HN 0.010 nan 8.370 nan 0.000 0.513 1158 P HA -0.125 nan 4.420 nan 0.000 0.221 1158 P C 1.189 178.378 177.300 -0.184 0.000 1.145 1158 P CA 0.776 63.758 63.100 -0.198 0.000 0.795 1158 P CB 0.291 31.855 31.700 -0.227 0.000 0.775 1159 R N -0.815 119.586 120.500 -0.166 0.000 2.140 1159 R HA 0.181 4.522 4.340 0.002 0.000 0.213 1159 R C 0.741 176.969 176.300 -0.120 0.000 1.059 1159 R CA 0.849 56.855 56.100 -0.156 0.000 1.000 1159 R CB -0.337 29.873 30.300 -0.150 0.000 0.910 1159 R HN 0.268 nan 8.270 nan 0.000 0.455 1160 S N -0.171 115.468 115.700 -0.102 0.000 2.549 1160 S HA 0.441 4.912 4.470 0.002 0.000 0.280 1160 S C -0.270 174.289 174.600 -0.069 0.000 1.109 1160 S CA -0.915 57.240 58.200 -0.076 0.000 0.905 1160 S CB 2.464 65.629 63.200 -0.059 0.000 1.081 1160 S HN -0.037 nan 8.310 nan 0.000 0.477 1161 T N 0.717 115.241 114.554 -0.050 0.000 2.732 1161 T HA 0.345 4.697 4.350 0.002 0.000 0.287 1161 T C 0.934 175.625 174.700 -0.015 0.000 0.993 1161 T CA -0.632 61.445 62.100 -0.039 0.000 0.966 1161 T CB 0.455 69.305 68.868 -0.031 0.000 1.047 1161 T HN 0.480 nan 8.240 nan 0.000 0.527 1162 V N -0.000 119.923 119.914 0.015 0.000 3.483 1162 V HA 0.310 4.431 4.120 0.002 0.000 0.301 1162 V C 0.020 176.158 176.094 0.073 0.000 1.389 1162 V CA 0.128 62.458 62.300 0.050 0.000 1.101 1162 V CB -0.727 31.146 31.823 0.084 0.000 0.971 1162 V HN 0.595 nan 8.190 nan 0.000 0.434 1163 I N 1.936 122.535 120.570 0.049 0.000 2.406 1163 I HA 0.351 4.522 4.170 0.002 0.000 0.290 1163 I C -1.352 174.780 176.117 0.025 0.000 0.999 1163 I CA -1.822 59.509 61.300 0.052 0.000 1.124 1163 I CB 2.450 40.465 38.000 0.026 0.000 1.289 1163 I HN -0.076 nan 8.210 nan 0.000 0.441 1164 P HA -0.107 nan 4.420 nan 0.000 0.223 1164 P C 0.456 177.766 177.300 0.016 0.000 1.151 1164 P CA 1.201 64.314 63.100 0.022 0.000 0.787 1164 P CB 0.213 31.929 31.700 0.027 0.000 0.788 1165 E N -0.300 119.910 120.200 0.017 0.000 2.437 1165 E HA 0.081 4.432 4.350 0.002 0.000 0.189 1165 E C -0.252 176.351 176.600 0.003 0.000 1.054 1165 E CA 0.076 56.483 56.400 0.013 0.000 0.874 1165 E CB -0.120 29.590 29.700 0.017 0.000 1.011 1165 E HN 0.150 nan 8.360 nan 0.000 0.474 1166 D N 0.443 120.841 120.400 -0.004 0.000 2.992 1166 D HA -0.011 4.630 4.640 0.002 0.000 0.372 1166 D C 0.394 176.687 176.300 -0.012 0.000 1.374 1166 D CA 0.001 53.994 54.000 -0.012 0.000 0.769 1166 D CB 0.411 41.189 40.800 -0.036 0.000 1.215 1166 D HN 0.134 nan 8.370 nan 0.000 0.473 1167 E N 0.401 120.599 120.200 -0.004 0.000 2.340 1167 E HA -0.034 4.317 4.350 0.002 0.000 0.198 1167 E C 1.142 177.742 176.600 -0.001 0.000 0.961 1167 E CA 0.349 56.745 56.400 -0.006 0.000 0.905 1167 E CB 0.447 30.146 29.700 -0.002 0.000 0.884 1167 E HN 0.258 nan 8.360 nan 0.000 0.491 1168 E N 0.411 120.614 120.200 0.006 0.000 2.478 1168 E HA -0.018 4.333 4.350 0.002 0.000 0.194 1168 E C 1.420 178.031 176.600 0.019 0.000 1.045 1168 E CA 0.068 56.476 56.400 0.013 0.000 0.868 1168 E CB 0.264 29.974 29.700 0.016 0.000 0.885 1168 E HN 0.252 nan 8.360 nan 0.000 0.505 1169 I N 0.812 121.390 120.570 0.014 0.000 3.427 1169 I HA -0.110 4.061 4.170 0.002 0.000 0.288 1169 I C 1.794 177.921 176.117 0.016 0.000 1.249 1169 I CA 0.243 61.554 61.300 0.017 0.000 1.421 1169 I CB 0.171 38.181 38.000 0.017 0.000 1.086 1169 I HN 0.151 nan 8.210 nan 0.000 0.448 1170 I N -0.572 119.997 120.570 -0.001 0.000 2.429 1170 I HA -0.091 4.080 4.170 0.002 0.000 0.247 1170 I C 2.171 178.282 176.117 -0.010 0.000 1.099 1170 I CA 0.826 62.112 61.300 -0.022 0.000 1.422 1170 I CB -1.491 36.478 38.000 -0.051 0.000 1.112 1170 I HN 0.227 nan 8.210 nan 0.000 0.430 1171 Q N 1.133 120.934 119.800 0.001 0.000 1.618 1171 Q HA -0.229 4.112 4.340 0.002 0.000 0.473 1171 Q C 1.305 177.359 176.000 0.091 0.000 1.030 1171 Q CA 2.750 58.566 55.803 0.022 0.000 0.860 1171 Q CB -0.604 28.156 28.738 0.036 0.000 0.957 1171 Q HN 0.542 nan 8.270 nan 0.000 0.387 1172 L N -3.282 118.035 121.223 0.156 0.000 2.347 1172 L HA 0.070 4.412 4.340 0.002 0.000 0.172 1172 L C 1.267 178.365 176.870 0.381 0.000 1.009 1172 L CA 0.457 55.469 54.840 0.286 0.000 0.974 1172 L CB -0.082 42.071 42.059 0.156 0.000 1.427 1172 L HN 0.769 nan 8.230 nan 0.000 0.507 1173 H N -0.884 118.288 119.070 0.170 0.000 4.559 1173 H HA -0.255 4.303 4.556 0.002 0.000 0.107 1173 H C 1.077 176.482 175.328 0.129 0.000 0.630 1173 H CA 0.950 57.044 56.048 0.078 0.000 0.882 1173 H CB -1.537 28.251 29.762 0.043 0.000 0.402 1173 H HN 0.720 nan 8.280 nan 0.000 0.799 1174 F N 3.724 124.053 119.950 0.631 0.000 2.380 1174 F HA 0.038 4.566 4.527 0.002 0.000 0.299 1174 F C 1.751 177.624 175.800 0.122 0.000 1.064 1174 F CA 1.149 59.383 58.000 0.390 0.000 1.432 1174 F CB -0.647 38.476 39.000 0.206 0.000 1.089 1174 F HN 0.316 nan 8.300 nan 0.000 0.562 1175 S N 0.894 116.320 115.700 -0.457 0.000 2.817 1175 S HA 0.212 4.683 4.470 0.002 0.000 0.252 1175 S C -0.216 174.235 174.600 -0.249 0.000 1.397 1175 S CA 0.233 58.133 58.200 -0.499 0.000 0.986 1175 S CB 0.656 63.668 63.200 -0.313 0.000 0.947 1175 S HN 0.489 nan 8.310 nan 0.000 0.554 1188 Q N 0.868 120.601 119.800 -0.112 0.000 2.930 1188 Q HA 0.574 4.915 4.340 0.002 0.000 0.329 1188 Q C -0.168 175.799 176.000 -0.055 0.000 1.142 1188 Q CA 0.472 56.216 55.803 -0.098 0.000 0.462 1188 Q CB 0.156 28.796 28.738 -0.163 0.000 5.313 1188 Q HN 0.101 nan 8.270 nan 0.000 0.331 1189 S N -0.803 114.863 115.700 -0.057 0.000 2.550 1189 S HA 0.307 4.779 4.470 0.002 0.000 0.270 1189 S C -2.491 172.034 174.600 -0.125 0.000 1.145 1189 S CA -1.399 56.776 58.200 -0.041 0.000 0.852 1189 S CB 1.519 64.760 63.200 0.067 0.000 1.119 1189 S HN 0.279 nan 8.310 nan 0.000 0.465 1190 P HA 0.185 nan 4.420 nan 0.000 0.253 1190 P C -0.585 176.382 177.300 -0.555 0.000 1.260 1190 P CA 0.128 62.904 63.100 -0.540 0.000 0.800 1190 P CB -0.286 30.957 31.700 -0.761 0.000 1.162 1191 W N 1.042 122.323 121.300 -0.033 0.000 2.292 1191 W HA 0.361 5.023 4.660 0.002 0.000 0.352 1191 W C 0.150 176.681 176.519 0.020 0.000 0.962 1191 W CA -1.106 56.258 57.345 0.033 0.000 1.496 1191 W CB 0.422 29.923 29.460 0.067 0.000 1.381 1191 W HN -0.114 nan 8.180 nan 0.000 0.363 1192 L N 4.812 126.234 121.223 0.331 0.000 2.380 1192 L HA 0.354 4.695 4.340 0.002 0.000 0.273 1192 L C -0.484 176.516 176.870 0.217 0.000 1.138 1192 L CA -0.268 54.690 54.840 0.196 0.000 0.832 1192 L CB 0.436 42.562 42.059 0.112 0.000 1.124 1192 L HN 0.268 nan 8.230 nan 0.000 0.454 1193 L N 6.042 127.341 121.223 0.128 0.000 2.345 1193 L HA 0.524 4.865 4.340 0.002 0.000 0.274 1193 L C -0.817 176.088 176.870 0.058 0.000 0.999 1193 L CA -0.296 54.603 54.840 0.100 0.000 0.849 1193 L CB 0.982 43.081 42.059 0.065 0.000 1.220 1193 L HN 0.741 nan 8.230 nan 0.000 0.422 1194 R N 5.699 126.221 120.500 0.036 0.000 2.337 1194 R HA 0.663 5.004 4.340 0.002 0.000 0.319 1194 R C -1.700 174.604 176.300 0.005 0.000 0.954 1194 R CA -0.596 55.487 56.100 -0.028 0.000 0.840 1194 R CB 0.814 30.993 30.300 -0.201 0.000 1.164 1194 R HN 0.752 nan 8.270 nan 0.000 0.472 1195 L N 3.284 124.521 121.223 0.024 0.000 2.295 1195 L HA 0.443 4.784 4.340 0.002 0.000 0.285 1195 L C 0.151 177.037 176.870 0.026 0.000 1.035 1195 L CA -0.511 54.348 54.840 0.033 0.000 0.806 1195 L CB 1.690 43.773 42.059 0.040 0.000 1.214 1195 L HN 0.596 nan 8.230 nan 0.000 0.426 1196 E N 3.550 123.766 120.200 0.026 0.000 2.216 1196 E HA 0.572 4.923 4.350 0.002 0.000 0.279 1196 E C -1.337 175.274 176.600 0.018 0.000 0.997 1196 E CA -0.588 55.826 56.400 0.023 0.000 0.817 1196 E CB 1.209 30.924 29.700 0.026 0.000 1.096 1196 E HN 0.470 nan 8.360 nan 0.000 0.393 1197 L N 2.753 123.984 121.223 0.014 0.000 2.333 1197 L HA 0.351 4.692 4.340 0.002 0.000 0.269 1197 L C -0.024 176.848 176.870 0.003 0.000 1.010 1197 L CA -1.110 53.733 54.840 0.005 0.000 0.818 1197 L CB 1.651 43.708 42.059 -0.003 0.000 1.306 1197 L HN 0.548 nan 8.230 nan 0.000 0.430 1198 D N 0.912 121.311 120.400 -0.002 0.000 2.348 1198 D HA 0.043 4.684 4.640 0.002 0.000 0.253 1198 D C 0.858 177.155 176.300 -0.004 0.000 1.161 1198 D CA -0.014 53.985 54.000 -0.002 0.000 0.876 1198 D CB 1.487 42.284 40.800 -0.006 0.000 1.160 1198 D HN 0.400 nan 8.370 nan 0.000 0.459 1199 R N 3.180 123.679 120.500 -0.000 0.000 2.152 1199 R HA -0.090 4.251 4.340 0.002 0.000 0.232 1199 R C 1.621 177.919 176.300 -0.003 0.000 1.117 1199 R CA 1.757 57.857 56.100 -0.001 0.000 0.981 1199 R CB 0.013 30.315 30.300 0.003 0.000 0.870 1199 R HN 0.453 nan 8.270 nan 0.000 0.451 1200 A N -0.102 122.716 122.820 -0.003 0.000 1.935 1200 A HA 0.195 4.516 4.320 0.002 0.000 0.214 1200 A C 2.142 179.723 177.584 -0.005 0.000 1.178 1200 A CA 0.825 52.861 52.037 -0.003 0.000 0.640 1200 A CB -0.529 18.469 19.000 -0.002 0.000 0.825 1200 A HN 0.395 nan 8.150 nan 0.000 0.447 1201 A N -0.912 121.902 122.820 -0.009 0.000 2.248 1201 A HA 0.046 4.368 4.320 0.002 0.000 0.210 1201 A C 1.713 179.288 177.584 -0.016 0.000 1.174 1201 A CA 1.343 53.372 52.037 -0.013 0.000 0.750 1201 A CB -0.407 18.581 19.000 -0.019 0.000 0.780 1201 A HN 0.411 nan 8.150 nan 0.000 0.478 1202 M N -0.803 118.788 119.600 -0.015 0.000 2.461 1202 M HA 0.147 4.628 4.480 0.002 0.000 0.255 1202 M C 0.820 177.110 176.300 -0.016 0.000 1.137 1202 M CA 0.435 55.722 55.300 -0.021 0.000 1.086 1202 M CB -0.981 31.606 32.600 -0.023 0.000 1.356 1202 M HN 0.287 nan 8.290 nan 0.000 0.487 1203 N N 0.577 119.272 118.700 -0.009 0.000 2.409 1203 N HA -0.062 4.680 4.740 0.002 0.000 0.174 1203 N C 1.337 176.848 175.510 0.002 0.000 1.037 1203 N CA 0.583 53.630 53.050 -0.006 0.000 0.898 1203 N CB 0.378 38.863 38.487 -0.002 0.000 1.010 1203 N HN 0.394 nan 8.380 nan 0.000 0.445 1204 D N 1.390 121.797 120.400 0.013 0.000 2.092 1204 D HA -0.054 4.587 4.640 0.002 0.000 0.203 1204 D C 0.131 176.459 176.300 0.047 0.000 0.978 1204 D CA 0.925 54.950 54.000 0.041 0.000 0.861 1204 D CB 0.440 41.265 40.800 0.041 0.000 1.005 1204 D HN 0.121 nan 8.370 nan 0.000 0.450 1205 K N 1.378 121.797 120.400 0.033 0.000 2.202 1205 K HA 0.128 4.449 4.320 0.002 0.000 0.264 1205 K C -0.526 176.066 176.600 -0.013 0.000 1.010 1205 K CA -0.404 55.893 56.287 0.017 0.000 0.940 1205 K CB 0.563 33.067 32.500 0.007 0.000 0.983 1205 K HN 0.079 nan 8.250 nan 0.000 0.475 1206 D N 2.955 123.338 120.400 -0.028 0.000 2.470 1206 D HA 0.190 4.831 4.640 0.002 0.000 0.226 1206 D C -0.159 176.114 176.300 -0.044 0.000 1.196 1206 D CA 0.205 54.181 54.000 -0.039 0.000 0.979 1206 D CB 0.051 40.822 40.800 -0.049 0.000 1.059 1206 D HN 0.220 nan 8.370 nan 0.000 0.515 1207 L N 1.035 122.231 121.223 -0.044 0.000 2.354 1207 L HA 0.515 4.856 4.340 0.002 0.000 0.264 1207 L C 0.333 177.165 176.870 -0.064 0.000 1.008 1207 L CA -0.769 54.036 54.840 -0.058 0.000 0.819 1207 L CB 2.403 44.426 42.059 -0.059 0.000 1.339 1207 L HN 0.160 nan 8.230 nan 0.000 0.420 1208 T N -1.799 112.703 114.554 -0.086 0.000 2.861 1208 T HA 0.322 4.673 4.350 0.002 0.000 0.287 1208 T C 1.069 175.676 174.700 -0.155 0.000 1.003 1208 T CA -0.864 61.178 62.100 -0.098 0.000 0.977 1208 T CB 1.639 70.453 68.868 -0.090 0.000 0.996 1208 T HN 0.415 nan 8.240 nan 0.000 0.448 1209 M N 2.213 121.724 119.600 -0.149 0.000 2.124 1209 M HA -0.148 4.333 4.480 0.002 0.000 0.253 1209 M C 2.461 178.464 176.300 -0.495 0.000 1.077 1209 M CA 2.567 57.726 55.300 -0.234 0.000 1.085 1209 M CB -1.860 30.669 32.600 -0.118 0.000 1.320 1209 M HN 1.002 nan 8.290 nan 0.000 0.404 1210 G N -0.661 107.888 108.800 -0.419 0.000 2.628 1210 G HA2 -0.315 3.646 3.960 0.002 0.000 0.217 1210 G HA3 -0.315 3.646 3.960 0.002 0.000 0.217 1210 G C 1.380 175.987 174.900 -0.489 0.000 1.240 1210 G CA 1.278 46.081 45.100 -0.494 0.000 0.792 1210 G HN 0.543 nan 8.290 nan 0.000 0.593 1211 Q N -0.524 119.106 119.800 -0.283 0.000 2.082 1211 Q HA -0.186 4.156 4.340 0.002 0.000 0.211 1211 Q C 2.885 178.727 176.000 -0.264 0.000 1.002 1211 Q CA 2.209 57.880 55.803 -0.220 0.000 0.868 1211 Q CB -0.360 28.290 28.738 -0.147 0.000 0.931 1211 Q HN 0.343 nan 8.270 nan 0.000 0.414 1212 V N -0.018 119.725 119.914 -0.286 0.000 2.231 1212 V HA -0.330 3.792 4.120 0.002 0.000 0.248 1212 V C 2.161 178.060 176.094 -0.325 0.000 1.054 1212 V CA 2.132 64.280 62.300 -0.253 0.000 1.015 1212 V CB -1.468 30.221 31.823 -0.224 0.000 0.638 1212 V HN 0.668 nan 8.190 nan 0.000 0.444 1213 G N -0.473 107.954 108.800 -0.622 0.000 2.639 1213 G HA2 -0.280 3.681 3.960 0.002 0.000 0.216 1213 G HA3 -0.280 3.681 3.960 0.002 0.000 0.216 1213 G C 1.397 176.021 174.900 -0.460 0.000 1.267 1213 G CA 0.955 45.555 45.100 -0.834 0.000 0.801 1213 G HN 0.491 nan 8.290 nan 0.000 0.592 1214 E N 0.236 120.156 120.200 -0.466 0.000 2.169 1214 E HA -0.215 4.136 4.350 0.002 0.000 0.202 1214 E C 2.530 179.071 176.600 -0.099 0.000 1.016 1214 E CA 1.238 57.535 56.400 -0.172 0.000 0.817 1214 E CB -0.212 29.410 29.700 -0.130 0.000 0.736 1214 E HN 0.266 nan 8.360 nan 0.000 0.462 1215 R N 0.909 121.332 120.500 -0.128 0.000 2.070 1215 R HA -0.085 4.256 4.340 0.002 0.000 0.232 1215 R C 2.430 178.701 176.300 -0.050 0.000 1.138 1215 R CA 1.302 57.352 56.100 -0.082 0.000 0.936 1215 R CB -0.893 29.353 30.300 -0.089 0.000 0.839 1215 R HN 0.161 nan 8.270 nan 0.000 0.429 1216 I N 0.751 121.301 120.570 -0.033 0.000 2.113 1216 I HA -0.394 3.778 4.170 0.002 0.000 0.242 1216 I C 2.483 178.677 176.117 0.128 0.000 1.064 1216 I CA 1.956 63.291 61.300 0.059 0.000 1.320 1216 I CB -0.408 37.656 38.000 0.108 0.000 1.028 1216 I HN 0.233 nan 8.210 nan 0.000 0.406 1217 K N 0.463 120.928 120.400 0.110 0.000 2.103 1217 K HA -0.255 4.067 4.320 0.002 0.000 0.207 1217 K C 2.188 178.852 176.600 0.106 0.000 1.048 1217 K CA 1.632 58.004 56.287 0.142 0.000 0.930 1217 K CB -0.060 32.518 32.500 0.130 0.000 0.716 1217 K HN 0.388 nan 8.250 nan 0.000 0.444 1218 Q N -0.899 118.926 119.800 0.042 0.000 2.224 1218 Q HA -0.093 4.248 4.340 0.002 0.000 0.203 1218 Q C 1.653 177.642 176.000 -0.018 0.000 0.970 1218 Q CA 1.742 57.552 55.803 0.012 0.000 0.865 1218 Q CB 0.263 28.991 28.738 -0.016 0.000 0.922 1218 Q HN 0.389 nan 8.270 nan 0.000 0.445 1219 T N -0.774 113.737 114.554 -0.071 0.000 2.939 1219 T HA 0.019 4.370 4.350 0.002 0.000 0.254 1219 T C 1.281 175.811 174.700 -0.283 0.000 1.041 1219 T CA 0.684 62.647 62.100 -0.230 0.000 1.142 1219 T CB -0.170 68.447 68.868 -0.417 0.000 0.874 1219 T HN 0.164 nan 8.240 nan 0.000 0.452 1220 F N 0.947 120.912 119.950 0.026 0.000 2.387 1220 F HA 0.320 4.848 4.527 0.002 0.000 0.294 1220 F C 1.774 177.597 175.800 0.038 0.000 1.093 1220 F CA 0.200 58.220 58.000 0.033 0.000 1.420 1220 F CB -0.050 38.975 39.000 0.042 0.000 1.086 1220 F HN 0.031 nan 8.300 nan 0.000 0.531 1221 K N 0.142 120.664 120.400 0.204 0.000 6.728 1221 K HA -0.337 3.984 4.320 0.002 0.000 0.280 1221 K C -0.379 176.309 176.600 0.147 0.000 0.997 1221 K CA 1.646 58.014 56.287 0.135 0.000 0.998 1221 K CB -1.426 31.129 32.500 0.092 0.000 0.706 1221 K HN 0.261 nan 8.250 nan 0.000 0.789 1222 N N 1.442 120.220 118.700 0.130 0.000 2.546 1222 N HA 0.238 4.979 4.740 0.002 0.000 0.238 1222 N C -1.330 174.249 175.510 0.115 0.000 0.984 1222 N CA 0.506 53.627 53.050 0.118 0.000 0.935 1222 N CB 0.750 39.292 38.487 0.092 0.000 1.122 1222 N HN 0.495 nan 8.380 nan 0.000 0.510 1223 D N 1.343 121.811 120.400 0.114 0.000 4.436 1223 D HA -0.076 4.565 4.640 0.002 0.000 0.096 1223 D C -1.135 175.185 176.300 0.034 0.000 0.396 1223 D CA -0.382 53.664 54.000 0.077 0.000 0.574 1223 D CB -1.056 39.788 40.800 0.073 0.000 1.640 1223 D HN 0.278 nan 8.370 nan 0.000 0.026 1224 L N 0.708 121.977 121.223 0.077 0.000 2.635 1224 L HA 0.506 4.848 4.340 0.002 0.000 0.251 1224 L C -1.594 175.357 176.870 0.136 0.000 1.056 1224 L CA -0.699 54.163 54.840 0.037 0.000 0.936 1224 L CB 0.763 42.755 42.059 -0.113 0.000 1.162 1224 L HN 0.135 nan 8.230 nan 0.000 0.481 1225 F N 4.109 124.073 119.950 0.024 0.000 2.553 1225 F HA 0.576 5.104 4.527 0.002 0.000 0.356 1225 F C -0.057 175.787 175.800 0.073 0.000 1.142 1225 F CA 0.606 58.631 58.000 0.042 0.000 1.322 1225 F CB 0.806 39.803 39.000 -0.006 0.000 1.126 1225 F HN 0.186 nan 8.300 nan 0.000 0.599 1226 V N 7.205 126.788 119.914 -0.552 0.000 2.655 1226 V HA 0.404 4.525 4.120 0.002 0.000 0.301 1226 V C -0.260 175.599 176.094 -0.391 0.000 1.082 1226 V CA -0.840 61.354 62.300 -0.176 0.000 0.899 1226 V CB 1.303 33.233 31.823 0.178 0.000 1.014 1226 V HN 0.615 nan 8.190 nan 0.000 0.429 1227 I N 3.613 124.071 120.570 -0.188 0.000 3.023 1227 I HA 0.843 5.014 4.170 0.002 0.000 0.312 1227 I C -0.913 175.187 176.117 -0.028 0.000 1.056 1227 I CA -0.635 60.443 61.300 -0.370 0.000 1.033 1227 I CB 2.428 40.375 38.000 -0.088 0.000 1.233 1227 I HN 0.864 nan 8.210 nan 0.000 0.462 1228 W N 0.819 122.138 121.300 0.032 0.000 3.161 1228 W HA 0.608 5.270 4.660 0.002 0.000 0.314 1228 W C -1.063 175.464 176.519 0.014 0.000 1.245 1228 W CA -0.726 56.624 57.345 0.008 0.000 1.191 1228 W CB -0.097 29.354 29.460 -0.015 0.000 1.392 1228 W HN 0.194 nan 8.180 nan 0.000 0.568 1229 S N 0.405 116.256 115.700 0.251 0.000 2.634 1229 S HA 0.177 4.649 4.470 0.002 0.000 0.254 1229 S C -0.346 174.382 174.600 0.213 0.000 1.299 1229 S CA -0.223 58.072 58.200 0.158 0.000 0.974 1229 S CB 0.540 63.805 63.200 0.109 0.000 1.001 1229 S HN 0.528 nan 8.310 nan 0.000 0.584 1230 E N -0.750 119.527 120.200 0.129 0.000 2.222 1230 E HA 0.232 4.584 4.350 0.002 0.000 0.267 1230 E C -0.269 176.374 176.600 0.072 0.000 0.963 1230 E CA -0.510 55.957 56.400 0.112 0.000 0.837 1230 E CB 0.989 30.736 29.700 0.077 0.000 1.183 1230 E HN 0.438 nan 8.360 nan 0.000 0.403 1231 D N 1.008 121.438 120.400 0.051 0.000 2.178 1231 D HA -0.153 4.488 4.640 0.002 0.000 0.201 1231 D C 0.923 177.236 176.300 0.021 0.000 0.980 1231 D CA 0.942 54.958 54.000 0.027 0.000 0.842 1231 D CB 0.079 40.884 40.800 0.008 0.000 0.948 1231 D HN 0.332 nan 8.370 nan 0.000 0.472 1232 N N 0.972 119.686 118.700 0.023 0.000 2.244 1232 N HA -0.075 4.666 4.740 0.002 0.000 0.183 1232 N C 0.231 175.752 175.510 0.019 0.000 1.016 1232 N CA 0.622 53.682 53.050 0.017 0.000 0.866 1232 N CB -0.469 38.028 38.487 0.016 0.000 0.980 1232 N HN 0.254 nan 8.380 nan 0.000 0.430 1233 D N 0.738 121.153 120.400 0.025 0.000 2.307 1233 D HA -0.062 4.580 4.640 0.002 0.000 0.234 1233 D C 1.053 177.366 176.300 0.021 0.000 1.308 1233 D CA 0.410 54.425 54.000 0.025 0.000 0.886 1233 D CB 0.767 41.586 40.800 0.032 0.000 1.202 1233 D HN 0.144 nan 8.370 nan 0.000 0.479 1234 E N -0.815 119.396 120.200 0.020 0.000 2.447 1234 E HA 0.026 4.377 4.350 0.002 0.000 0.195 1234 E C -0.224 176.387 176.600 0.019 0.000 1.028 1234 E CA 0.255 56.665 56.400 0.017 0.000 0.876 1234 E CB 0.356 30.066 29.700 0.016 0.000 0.885 1234 E HN 0.091 nan 8.360 nan 0.000 0.500 1235 K N 0.657 121.070 120.400 0.023 0.000 2.613 1235 K HA 0.333 4.654 4.320 0.002 0.000 0.248 1235 K C -1.546 175.073 176.600 0.032 0.000 0.959 1235 K CA -0.251 56.050 56.287 0.024 0.000 0.855 1235 K CB 1.051 33.564 32.500 0.021 0.000 1.143 1235 K HN -0.063 nan 8.250 nan 0.000 0.437 1236 L N 6.199 127.441 121.223 0.031 0.000 2.260 1236 L HA 0.545 4.886 4.340 0.002 0.000 0.289 1236 L C -0.473 176.425 176.870 0.045 0.000 1.057 1236 L CA -0.502 54.362 54.840 0.041 0.000 0.811 1236 L CB 0.440 42.515 42.059 0.027 0.000 1.184 1236 L HN 0.490 nan 8.230 nan 0.000 0.429 1237 I N 3.793 124.405 120.570 0.070 0.000 2.969 1237 I HA 0.499 4.670 4.170 0.002 0.000 0.307 1237 I C -0.762 175.428 176.117 0.122 0.000 1.149 1237 I CA -0.638 60.702 61.300 0.067 0.000 1.008 1237 I CB 2.809 40.830 38.000 0.035 0.000 1.232 1237 I HN 0.283 nan 8.210 nan 0.000 0.435 1238 I N 3.290 123.923 120.570 0.105 0.000 2.418 1238 I HA 0.497 4.668 4.170 0.002 0.000 0.287 1238 I C -0.455 175.727 176.117 0.109 0.000 1.008 1238 I CA -0.582 60.815 61.300 0.162 0.000 1.104 1238 I CB 1.443 39.526 38.000 0.138 0.000 1.264 1238 I HN 0.547 nan 8.210 nan 0.000 0.438 1239 R N 4.739 125.306 120.500 0.112 0.000 2.532 1239 R HA 0.830 5.172 4.340 0.002 0.000 0.295 1239 R C -1.211 175.146 176.300 0.095 0.000 0.968 1239 R CA -0.455 55.684 56.100 0.066 0.000 0.916 1239 R CB 2.013 32.332 30.300 0.031 0.000 1.124 1239 R HN 0.736 nan 8.270 nan 0.000 0.463 1240 C N 1.582 120.935 119.300 0.088 0.000 2.871 1240 C HA 0.493 4.954 4.460 0.002 0.000 0.378 1240 C C -0.511 174.535 174.990 0.093 0.000 1.052 1240 C CA -1.321 57.757 59.018 0.101 0.000 1.250 1240 C CB 1.385 29.173 27.740 0.079 0.000 1.689 1240 C HN 0.880 nan 8.230 nan 0.000 0.506 1241 R N 1.303 121.874 120.500 0.118 0.000 2.803 1241 R HA 0.836 5.177 4.340 0.002 0.000 0.276 1241 R C -0.365 175.977 176.300 0.069 0.000 0.978 1241 R CA -0.656 55.501 56.100 0.095 0.000 0.939 1241 R CB 1.713 32.057 30.300 0.074 0.000 1.179 1241 R HN 0.576 nan 8.270 nan 0.000 0.472 1242 V N 1.100 121.045 119.914 0.051 0.000 3.503 1242 V HA 0.272 4.393 4.120 0.002 0.000 0.300 1242 V C 0.450 176.566 176.094 0.037 0.000 1.099 1242 V CA -0.233 62.080 62.300 0.022 0.000 1.117 1242 V CB 0.978 32.820 31.823 0.032 0.000 1.122 1242 V HN 0.450 nan 8.190 nan 0.000 0.476 1255 E N -0.907 119.346 120.200 0.088 0.000 4.390 1255 E HA -0.134 4.217 4.350 0.002 0.000 0.370 1255 E C 0.529 177.178 176.600 0.081 0.000 0.647 1255 E CA 0.818 57.263 56.400 0.074 0.000 1.523 1255 E CB -1.182 28.554 29.700 0.060 0.000 1.826 1255 E HN 0.732 nan 8.360 nan 0.000 0.341 1256 E N 0.703 120.967 120.200 0.107 0.000 2.338 1256 E HA -0.178 4.173 4.350 0.002 0.000 0.197 1256 E C 0.769 177.294 176.600 -0.125 0.000 1.007 1256 E CA 1.304 57.751 56.400 0.079 0.000 0.849 1256 E CB 0.080 29.927 29.700 0.245 0.000 0.774 1256 E HN 0.322 nan 8.360 nan 0.000 0.506 1257 D N -1.253 119.015 120.400 -0.219 0.000 2.219 1257 D HA -0.150 4.491 4.640 0.002 0.000 0.205 1257 D C 1.658 177.819 176.300 -0.231 0.000 0.970 1257 D CA 0.975 54.695 54.000 -0.467 0.000 0.851 1257 D CB 0.039 40.603 40.800 -0.393 0.000 0.943 1257 D HN 0.236 nan 8.370 nan 0.000 0.488 1258 H N -0.224 118.746 119.070 -0.167 0.000 2.415 1258 H HA 0.148 4.706 4.556 0.002 0.000 0.297 1258 H C 1.828 177.106 175.328 -0.084 0.000 1.048 1258 H CA 0.895 56.878 56.048 -0.107 0.000 1.365 1258 H CB 0.004 29.728 29.762 -0.064 0.000 1.421 1258 H HN -0.006 nan 8.280 nan 0.000 0.533 1259 M N 0.010 119.519 119.600 -0.151 0.000 2.175 1259 M HA -0.064 4.417 4.480 0.002 0.000 0.264 1259 M C 0.498 176.698 176.300 -0.167 0.000 1.063 1259 M CA 0.862 56.059 55.300 -0.170 0.000 1.119 1259 M CB 0.009 32.586 32.600 -0.039 0.000 1.377 1259 M HN 0.336 nan 8.290 nan 0.000 0.415 1260 L N 1.977 123.107 121.223 -0.155 0.000 2.544 1260 L HA -0.001 4.340 4.340 0.002 0.000 0.240 1260 L C 0.611 177.392 176.870 -0.149 0.000 1.421 1260 L CA 0.831 55.591 54.840 -0.134 0.000 1.206 1260 L CB -0.691 41.298 42.059 -0.117 0.000 1.463 1260 L HN 0.241 nan 8.230 nan 0.000 0.437 1261 K N -0.295 120.011 120.400 -0.156 0.000 2.803 1261 K HA 0.050 4.371 4.320 0.002 0.000 0.166 1261 K C 1.294 177.820 176.600 -0.124 0.000 1.975 1261 K CA -0.064 56.140 56.287 -0.138 0.000 1.390 1261 K CB 0.218 32.611 32.500 -0.178 0.000 2.217 1261 K HN 0.096 nan 8.250 nan 0.000 0.591 1262 K N 1.264 121.558 120.400 -0.178 0.000 2.585 1262 K HA 0.100 4.421 4.320 0.002 0.000 0.194 1262 K C 1.384 177.975 176.600 -0.015 0.000 1.037 1262 K CA 0.755 56.980 56.287 -0.103 0.000 0.964 1262 K CB 0.067 32.495 32.500 -0.121 0.000 0.787 1262 K HN 0.177 nan 8.250 nan 0.000 0.488 1263 I N -0.970 119.589 120.570 -0.019 0.000 3.718 1263 I HA -0.095 4.076 4.170 0.002 0.000 0.297 1263 I C 1.879 178.043 176.117 0.079 0.000 1.220 1263 I CA 0.146 61.474 61.300 0.046 0.000 1.381 1263 I CB 0.276 38.223 38.000 -0.089 0.000 1.238 1263 I HN 0.068 nan 8.210 nan 0.000 0.448 1264 E N 1.082 121.294 120.200 0.020 0.000 2.265 1264 E HA -0.233 4.119 4.350 0.002 0.000 0.196 1264 E C 1.618 178.241 176.600 0.038 0.000 0.996 1264 E CA 1.571 57.990 56.400 0.033 0.000 0.832 1264 E CB -0.249 29.456 29.700 0.008 0.000 0.756 1264 E HN 0.340 nan 8.360 nan 0.000 0.491 1265 N N -0.168 118.550 118.700 0.030 0.000 2.132 1265 N HA -0.056 4.685 4.740 0.002 0.000 0.187 1265 N C 1.427 176.965 175.510 0.048 0.000 1.038 1265 N CA 2.143 55.210 53.050 0.028 0.000 0.846 1265 N CB -0.471 38.023 38.487 0.012 0.000 1.012 1265 N HN 0.221 nan 8.380 nan 0.000 0.429 1266 T N 1.125 115.723 114.554 0.074 0.000 2.737 1266 T HA -0.151 4.200 4.350 0.002 0.000 0.269 1266 T C 1.943 176.697 174.700 0.091 0.000 1.040 1266 T CA 1.128 63.280 62.100 0.086 0.000 1.142 1266 T CB -0.176 68.775 68.868 0.139 0.000 0.861 1266 T HN 0.226 nan 8.240 nan 0.000 0.456 1267 M N 0.268 119.957 119.600 0.149 0.000 2.086 1267 M HA -0.030 4.451 4.480 0.002 0.000 0.261 1267 M C 2.336 178.673 176.300 0.063 0.000 1.067 1267 M CA 1.624 57.010 55.300 0.143 0.000 1.116 1267 M CB -0.659 32.042 32.600 0.169 0.000 1.348 1267 M HN 0.260 nan 8.290 nan 0.000 0.407 1268 L N -0.711 120.540 121.223 0.046 0.000 2.023 1268 L HA -0.137 4.204 4.340 0.002 0.000 0.205 1268 L C 0.742 177.617 176.870 0.007 0.000 1.073 1268 L CA 1.187 56.038 54.840 0.019 0.000 0.745 1268 L CB -0.206 41.862 42.059 0.015 0.000 0.900 1268 L HN 0.256 nan 8.230 nan 0.000 0.435 1269 E N 0.078 120.287 120.200 0.015 0.000 2.989 1269 E HA 0.138 4.490 4.350 0.002 0.000 0.224 1269 E C -0.347 176.264 176.600 0.019 0.000 1.175 1269 E CA -0.084 56.325 56.400 0.015 0.000 1.300 1269 E CB 0.366 30.075 29.700 0.015 0.000 1.422 1269 E HN 0.226 nan 8.360 nan 0.000 0.439 1270 N N 0.121 118.829 118.700 0.014 0.000 2.004 1270 N HA 0.001 4.743 4.740 0.002 0.000 0.282 1270 N C -0.631 174.874 175.510 -0.007 0.000 1.294 1270 N CA -0.066 52.987 53.050 0.004 0.000 0.738 1270 N CB 0.655 39.132 38.487 -0.017 0.000 1.528 1270 N HN 0.165 nan 8.380 nan 0.000 0.642 1271 I N 2.663 123.225 120.570 -0.013 0.000 2.406 1271 I HA 0.152 4.323 4.170 0.002 0.000 0.293 1271 I C 0.246 176.364 176.117 0.003 0.000 1.101 1271 I CA 0.567 61.849 61.300 -0.030 0.000 1.334 1271 I CB -0.109 37.874 38.000 -0.030 0.000 1.421 1271 I HN -0.118 nan 8.210 nan 0.000 0.513 1272 T N 8.096 122.664 114.554 0.024 0.000 2.749 1272 T HA 0.253 4.604 4.350 0.002 0.000 0.295 1272 T C 0.998 175.709 174.700 0.019 0.000 0.936 1272 T CA -0.106 62.046 62.100 0.086 0.000 1.060 1272 T CB 1.023 69.945 68.868 0.090 0.000 0.904 1272 T HN 0.390 nan 8.240 nan 0.000 0.500 1273 L N 4.420 125.648 121.223 0.008 0.000 2.769 1273 L HA 0.393 4.734 4.340 0.002 0.000 0.240 1273 L C 0.546 177.403 176.870 -0.022 0.000 1.163 1273 L CA -0.070 54.752 54.840 -0.030 0.000 0.962 1273 L CB -0.213 41.811 42.059 -0.057 0.000 1.258 1273 L HN 0.757 nan 8.230 nan 0.000 0.513 1274 R N -2.412 118.094 120.500 0.010 0.000 7.812 1274 R HA 0.311 4.652 4.340 0.002 0.000 0.239 1274 R C -0.430 175.902 176.300 0.053 0.000 0.853 1274 R CA -0.237 55.868 56.100 0.009 0.000 1.884 1274 R CB -1.290 29.003 30.300 -0.012 0.000 1.172 1274 R HN 0.275 nan 8.270 nan 0.000 0.934 1275 G N 0.616 109.437 108.800 0.035 0.000 2.757 1275 G HA2 0.051 4.012 3.960 0.002 0.000 0.638 1275 G HA3 0.051 4.012 3.960 0.002 0.000 0.638 1275 G C -0.693 174.221 174.900 0.023 0.000 1.344 1275 G CA -0.541 44.585 45.100 0.043 0.000 0.855 1275 G HN 1.275 nan 8.290 nan 0.000 0.537 1276 V N 0.587 120.488 119.914 -0.022 0.000 2.567 1276 V HA 0.560 4.682 4.120 0.002 0.000 0.289 1276 V C 1.051 176.976 176.094 -0.283 0.000 1.049 1276 V CA 0.058 62.291 62.300 -0.113 0.000 0.969 1276 V CB 1.323 33.098 31.823 -0.080 0.000 0.995 1276 V HN 1.124 nan 8.190 nan 0.000 0.471 1277 E N 3.357 123.315 120.200 -0.404 0.000 2.410 1277 E HA 0.116 4.468 4.350 0.002 0.000 0.255 1277 E C 0.202 176.627 176.600 -0.292 0.000 1.194 1277 E CA -0.116 55.933 56.400 -0.585 0.000 0.955 1277 E CB 0.053 29.532 29.700 -0.368 0.000 0.988 1277 E HN 0.649 nan 8.360 nan 0.000 0.461 1278 N N -1.437 117.139 118.700 -0.207 0.000 2.955 1278 N HA -0.197 4.545 4.740 0.002 0.000 0.230 1278 N C -0.764 174.721 175.510 -0.041 0.000 0.891 1278 N CA 1.368 54.367 53.050 -0.085 0.000 1.002 1278 N CB -1.213 37.226 38.487 -0.080 0.000 1.063 1278 N HN 0.463 nan 8.380 nan 0.000 0.601 1279 I N 1.541 122.091 120.570 -0.033 0.000 2.330 1279 I HA 0.201 4.373 4.170 0.002 0.000 0.289 1279 I C 0.938 177.105 176.117 0.084 0.000 1.001 1279 I CA -0.167 61.143 61.300 0.017 0.000 1.193 1279 I CB 1.614 39.618 38.000 0.006 0.000 1.345 1279 I HN -0.066 nan 8.210 nan 0.000 0.461 1280 E N 4.663 124.896 120.200 0.055 0.000 4.138 1280 E HA 0.400 4.752 4.350 0.002 0.000 0.369 1280 E C -0.076 176.553 176.600 0.048 0.000 0.995 1280 E CA -0.482 55.950 56.400 0.053 0.000 2.264 1280 E CB 0.258 29.974 29.700 0.027 0.000 1.876 1280 E HN 0.454 nan 8.360 nan 0.000 0.697 1281 R N -0.615 119.898 120.500 0.022 0.000 2.678 1281 R HA 0.261 4.602 4.340 0.002 0.000 0.264 1281 R C -0.783 175.566 176.300 0.082 0.000 0.995 1281 R CA -0.043 56.075 56.100 0.030 0.000 1.098 1281 R CB -0.099 30.169 30.300 -0.055 0.000 0.949 1281 R HN 0.048 nan 8.270 nan 0.000 0.422 1282 V N 3.344 123.363 119.914 0.173 0.000 2.567 1282 V HA 0.271 4.393 4.120 0.002 0.000 0.298 1282 V C -0.571 175.611 176.094 0.147 0.000 1.047 1282 V CA -0.878 61.494 62.300 0.120 0.000 0.880 1282 V CB 2.014 33.876 31.823 0.066 0.000 1.009 1282 V HN 0.672 nan 8.190 nan 0.000 0.429 1283 V N 5.019 124.997 119.914 0.107 0.000 2.713 1283 V HA 0.519 4.640 4.120 0.002 0.000 0.307 1283 V C 0.184 176.325 176.094 0.079 0.000 1.052 1283 V CA -0.761 61.609 62.300 0.117 0.000 0.967 1283 V CB 2.017 33.913 31.823 0.122 0.000 1.019 1283 V HN 0.771 nan 8.190 nan 0.000 0.459 1284 M N 4.169 123.840 119.600 0.117 0.000 2.111 1284 M HA 0.464 4.946 4.480 0.002 0.000 0.351 1284 M C -0.786 175.698 176.300 0.306 0.000 1.214 1284 M CA -0.030 55.403 55.300 0.221 0.000 1.120 1284 M CB 0.725 33.466 32.600 0.234 0.000 1.443 1284 M HN 0.584 nan 8.290 nan 0.000 0.429 1285 M N 3.216 122.935 119.600 0.198 0.000 2.114 1285 M HA 0.260 4.741 4.480 0.002 0.000 0.332 1285 M C -0.027 176.312 176.300 0.065 0.000 1.014 1285 M CA -0.227 55.158 55.300 0.141 0.000 0.956 1285 M CB 1.287 34.000 32.600 0.188 0.000 1.551 1285 M HN 0.394 nan 8.290 nan 0.000 0.427 1286 K N 4.402 124.693 120.400 -0.182 0.000 2.054 1286 K HA 0.093 4.414 4.320 0.002 0.000 0.242 1286 K C -1.317 175.256 176.600 -0.045 0.000 1.157 1286 K CA 0.139 56.165 56.287 -0.435 0.000 1.079 1286 K CB -0.189 31.839 32.500 -0.786 0.000 1.331 1286 K HN 0.655 nan 8.250 nan 0.000 0.317 1287 Y N 2.193 122.422 120.300 -0.117 0.000 2.526 1287 Y HA -0.087 4.464 4.550 0.002 0.000 0.330 1287 Y C 1.079 176.959 175.900 -0.033 0.000 1.156 1287 Y CA -0.692 57.397 58.100 -0.019 0.000 1.419 1287 Y CB 0.572 39.090 38.460 0.097 0.000 1.250 1287 Y HN 0.502 nan 8.280 nan 0.000 0.540 1288 D N 3.580 123.992 120.400 0.019 0.000 2.357 1288 D HA 0.229 4.870 4.640 0.002 0.000 0.242 1288 D C -0.359 175.962 176.300 0.034 0.000 1.153 1288 D CA 0.230 54.230 54.000 -0.002 0.000 0.918 1288 D CB 0.884 41.659 40.800 -0.041 0.000 1.181 1288 D HN 0.502 nan 8.370 nan 0.000 0.435 1289 R N 1.332 121.849 120.500 0.028 0.000 2.523 1289 R HA 0.133 4.474 4.340 0.002 0.000 0.278 1289 R C -1.036 175.295 176.300 0.051 0.000 1.150 1289 R CA -0.612 55.512 56.100 0.039 0.000 0.987 1289 R CB 1.310 31.634 30.300 0.040 0.000 1.232 1289 R HN 0.259 nan 8.270 nan 0.000 0.424 1290 K N 3.281 123.724 120.400 0.073 0.000 2.248 1290 K HA 0.471 4.793 4.320 0.002 0.000 0.281 1290 K C -1.209 175.531 176.600 0.234 0.000 1.054 1290 K CA -0.361 56.009 56.287 0.139 0.000 0.903 1290 K CB 1.495 34.064 32.500 0.116 0.000 1.077 1290 K HN 0.275 nan 8.250 nan 0.000 0.474 1291 V N 5.520 125.558 119.914 0.208 0.000 3.178 1291 V HA 0.358 4.479 4.120 0.002 0.000 0.302 1291 V C -2.516 173.459 176.094 -0.198 0.000 1.262 1291 V CA -1.935 60.402 62.300 0.060 0.000 1.030 1291 V CB 2.571 34.399 31.823 0.010 0.000 1.074 1291 V HN 0.751 nan 8.190 nan 0.000 0.438 1292 P HA 0.121 nan 4.420 nan 0.000 0.271 1292 P C -0.204 176.963 177.300 -0.222 0.000 1.233 1292 P CA 0.462 63.268 63.100 -0.490 0.000 0.764 1292 P CB 0.957 32.358 31.700 -0.498 0.000 0.825 1293 S N 5.341 120.945 115.700 -0.159 0.000 2.576 1293 S HA 0.097 4.568 4.470 0.002 0.000 0.272 1293 S C -0.786 173.757 174.600 -0.095 0.000 1.352 1293 S CA -1.001 57.145 58.200 -0.090 0.000 1.021 1293 S CB -0.255 62.915 63.200 -0.051 0.000 0.887 1293 S HN 0.343 nan 8.310 nan 0.000 0.542 1294 P HA -0.125 nan 4.420 nan 0.000 0.214 1294 P C 1.597 178.868 177.300 -0.049 0.000 1.163 1294 P CA 2.253 65.318 63.100 -0.058 0.000 0.883 1294 P CB -1.001 30.675 31.700 -0.040 0.000 0.788 1295 T N -4.323 110.211 114.554 -0.032 0.000 2.896 1295 T HA -0.019 4.332 4.350 0.002 0.000 0.270 1295 T C 1.656 176.353 174.700 -0.006 0.000 1.104 1295 T CA 1.912 64.004 62.100 -0.014 0.000 1.115 1295 T CB -0.879 67.988 68.868 -0.002 0.000 0.843 1295 T HN 0.380 nan 8.240 nan 0.000 0.523 1296 G N 0.709 109.493 108.800 -0.026 0.000 3.330 1296 G HA2 -0.119 3.842 3.960 0.002 0.000 0.197 1296 G HA3 -0.119 3.842 3.960 0.002 0.000 0.197 1296 G C -0.299 174.590 174.900 -0.018 0.000 1.284 1296 G CA -0.251 44.841 45.100 -0.013 0.000 0.921 1296 G HN 0.634 nan 8.290 nan 0.000 0.466 1297 E N 0.557 120.767 120.200 0.017 0.000 2.436 1297 E HA 0.422 4.773 4.350 0.002 0.000 0.262 1297 E C -0.589 176.021 176.600 0.016 0.000 1.063 1297 E CA -0.035 56.404 56.400 0.065 0.000 0.944 1297 E CB 0.417 30.155 29.700 0.064 0.000 0.950 1297 E HN 0.417 nan 8.360 nan 0.000 0.444 1298 Y N 0.647 120.956 120.300 0.015 0.000 2.319 1298 Y HA 0.289 4.840 4.550 0.002 0.000 0.328 1298 Y C 0.376 176.281 175.900 0.008 0.000 1.133 1298 Y CA -0.308 57.798 58.100 0.011 0.000 1.265 1298 Y CB 0.592 39.060 38.460 0.013 0.000 1.218 1298 Y HN 0.201 nan 8.280 nan 0.000 0.508 1299 V N 1.394 121.377 119.914 0.114 0.000 3.105 1299 V HA 0.458 4.579 4.120 0.002 0.000 0.311 1299 V C -0.929 175.206 176.094 0.069 0.000 1.282 1299 V CA -1.890 60.456 62.300 0.077 0.000 1.065 1299 V CB 1.934 33.779 31.823 0.037 0.000 1.136 1299 V HN 0.459 nan 8.190 nan 0.000 0.469 1300 K N 1.634 122.059 120.400 0.042 0.000 2.296 1300 K HA 0.359 4.680 4.320 0.002 0.000 0.257 1300 K C -0.528 176.086 176.600 0.023 0.000 1.088 1300 K CA -0.038 56.268 56.287 0.032 0.000 0.980 1300 K CB 0.886 33.398 32.500 0.019 0.000 1.430 1300 K HN 0.594 nan 8.250 nan 0.000 0.441 1301 E N 4.895 125.110 120.200 0.026 0.000 2.035 1301 E HA 0.164 4.515 4.350 0.002 0.000 0.271 1301 E C -2.342 174.270 176.600 0.021 0.000 0.953 1301 E CA -2.207 54.206 56.400 0.022 0.000 0.777 1301 E CB 0.887 30.600 29.700 0.021 0.000 1.104 1301 E HN 0.256 nan 8.360 nan 0.000 0.408 1302 P HA 0.110 nan 4.420 nan 0.000 0.280 1302 P C -1.297 175.996 177.300 -0.013 0.000 1.244 1302 P CA -0.186 62.902 63.100 -0.021 0.000 0.784 1302 P CB 0.793 32.453 31.700 -0.067 0.000 0.913 1303 E N 1.718 121.921 120.200 0.005 0.000 2.248 1303 E HA 0.385 4.736 4.350 0.002 0.000 0.267 1303 E C -1.270 175.362 176.600 0.053 0.000 0.877 1303 E CA -0.910 55.533 56.400 0.070 0.000 0.759 1303 E CB 0.791 30.569 29.700 0.130 0.000 1.182 1303 E HN 0.247 nan 8.360 nan 0.000 0.418 1304 W N 2.383 123.739 121.300 0.094 0.000 2.251 1304 W HA 0.361 5.022 4.660 0.002 0.000 0.327 1304 W C -0.489 176.049 176.519 0.032 0.000 1.361 1304 W CA -0.025 57.357 57.345 0.061 0.000 1.234 1304 W CB 0.853 30.334 29.460 0.035 0.000 1.212 1304 W HN 0.265 nan 8.180 nan 0.000 0.557 1305 V N 5.235 125.246 119.914 0.162 0.000 2.841 1305 V HA 0.400 4.521 4.120 0.002 0.000 0.310 1305 V C -0.359 175.643 176.094 -0.153 0.000 1.090 1305 V CA -1.246 60.997 62.300 -0.095 0.000 0.930 1305 V CB 1.953 33.494 31.823 -0.470 0.000 1.014 1305 V HN 0.250 nan 8.190 nan 0.000 0.425 1306 L N 3.734 124.854 121.223 -0.172 0.000 2.272 1306 L HA 0.607 4.948 4.340 0.002 0.000 0.289 1306 L C -0.078 176.693 176.870 -0.165 0.000 1.032 1306 L CA -0.345 54.425 54.840 -0.116 0.000 0.810 1306 L CB 1.618 43.637 42.059 -0.067 0.000 1.205 1306 L HN 0.657 nan 8.230 nan 0.000 0.422 1307 E N 1.464 121.604 120.200 -0.099 0.000 2.212 1307 E HA 0.607 4.958 4.350 0.002 0.000 0.270 1307 E C -0.968 175.621 176.600 -0.018 0.000 0.956 1307 E CA -0.510 55.851 56.400 -0.065 0.000 0.825 1307 E CB 2.327 32.016 29.700 -0.019 0.000 1.167 1307 E HN 0.467 nan 8.360 nan 0.000 0.400 1308 T N 1.011 115.555 114.554 -0.018 0.000 2.903 1308 T HA 0.355 4.706 4.350 0.002 0.000 0.299 1308 T C -1.397 173.302 174.700 -0.002 0.000 1.093 1308 T CA -0.958 61.136 62.100 -0.008 0.000 1.002 1308 T CB 1.236 70.088 68.868 -0.028 0.000 1.127 1308 T HN 0.238 nan 8.240 nan 0.000 0.488 1309 D N 1.249 121.652 120.400 0.005 0.000 2.373 1309 D HA 0.600 5.241 4.640 0.002 0.000 0.227 1309 D C 0.618 176.915 176.300 -0.005 0.000 1.091 1309 D CA 0.613 54.614 54.000 0.002 0.000 0.840 1309 D CB 0.850 41.655 40.800 0.008 0.000 1.060 1309 D HN 1.025 nan 8.370 nan 0.000 0.502 1310 G N 0.413 109.203 108.800 -0.017 0.000 2.663 1310 G HA2 0.081 4.042 3.960 0.002 0.000 0.686 1310 G HA3 0.081 4.042 3.960 0.002 0.000 0.686 1310 G C -1.226 173.650 174.900 -0.040 0.000 1.288 1310 G CA -0.867 44.217 45.100 -0.026 0.000 0.836 1310 G HN 0.565 nan 8.290 nan 0.000 0.584 1311 V N 1.027 120.912 119.914 -0.050 0.000 2.610 1311 V HA 0.575 4.696 4.120 0.002 0.000 0.298 1311 V C -0.046 176.012 176.094 -0.060 0.000 1.067 1311 V CA -0.518 61.745 62.300 -0.061 0.000 0.894 1311 V CB 1.855 33.632 31.823 -0.077 0.000 1.015 1311 V HN 0.946 nan 8.190 nan 0.000 0.432 1312 N N 3.695 122.360 118.700 -0.058 0.000 2.716 1312 N HA 0.238 4.979 4.740 0.002 0.000 0.253 1312 N C 0.697 176.180 175.510 -0.045 0.000 1.170 1312 N CA -0.507 52.509 53.050 -0.055 0.000 0.807 1312 N CB 1.371 39.819 38.487 -0.064 0.000 1.183 1312 N HN 0.644 nan 8.380 nan 0.000 0.524 1313 L N 2.667 123.866 121.223 -0.040 0.000 2.083 1313 L HA -0.014 4.327 4.340 0.002 0.000 0.209 1313 L C 1.810 178.670 176.870 -0.016 0.000 1.083 1313 L CA 1.887 56.711 54.840 -0.026 0.000 0.752 1313 L CB -0.515 41.532 42.059 -0.021 0.000 0.899 1313 L HN 0.405 nan 8.230 nan 0.000 0.433 1314 S N -0.479 115.210 115.700 -0.019 0.000 2.461 1314 S HA -0.193 4.278 4.470 0.002 0.000 0.249 1314 S C 1.658 176.249 174.600 -0.015 0.000 1.012 1314 S CA 1.604 59.795 58.200 -0.014 0.000 0.982 1314 S CB -0.270 62.918 63.200 -0.019 0.000 0.764 1314 S HN 0.592 nan 8.310 nan 0.000 0.506 1315 E N -1.044 119.143 120.200 -0.021 0.000 2.633 1315 E HA 0.133 4.484 4.350 0.002 0.000 0.222 1315 E C 1.278 177.865 176.600 -0.021 0.000 0.899 1315 E CA 0.212 56.598 56.400 -0.023 0.000 1.292 1315 E CB 0.716 30.395 29.700 -0.036 0.000 1.257 1315 E HN 0.339 nan 8.360 nan 0.000 0.626 1316 V N 1.913 121.815 119.914 -0.020 0.000 2.951 1316 V HA -0.130 3.992 4.120 0.002 0.000 0.255 1316 V C 2.476 178.568 176.094 -0.003 0.000 1.088 1316 V CA 1.443 63.733 62.300 -0.016 0.000 1.109 1316 V CB -0.616 31.194 31.823 -0.023 0.000 0.724 1316 V HN 0.293 nan 8.190 nan 0.000 0.471 1317 M N 1.118 120.720 119.600 0.004 0.000 2.349 1317 M HA -0.022 4.460 4.480 0.002 0.000 0.266 1317 M C 1.854 178.164 176.300 0.017 0.000 1.076 1317 M CA 1.866 57.177 55.300 0.019 0.000 1.126 1317 M CB -1.041 31.575 32.600 0.028 0.000 1.392 1317 M HN 0.302 nan 8.290 nan 0.000 0.440 1318 T N -1.041 113.518 114.554 0.007 0.000 3.160 1318 T HA 0.234 4.585 4.350 0.002 0.000 0.257 1318 T C 0.611 175.313 174.700 0.005 0.000 1.147 1318 T CA -0.238 61.866 62.100 0.006 0.000 1.064 1318 T CB -0.970 67.898 68.868 0.000 0.000 0.949 1318 T HN 0.228 nan 8.240 nan 0.000 0.526 1319 V N 3.844 123.761 119.914 0.005 0.000 2.881 1319 V HA 0.317 4.439 4.120 0.002 0.000 0.303 1319 V C -1.604 174.496 176.094 0.010 0.000 1.070 1319 V CA -1.933 60.368 62.300 0.002 0.000 1.074 1319 V CB 0.811 32.633 31.823 -0.002 0.000 1.012 1319 V HN 0.334 nan 8.190 nan 0.000 0.482 1320 P HA 0.313 nan 4.420 nan 0.000 0.276 1320 P C 0.700 178.008 177.300 0.014 0.000 1.252 1320 P CA 0.610 63.718 63.100 0.013 0.000 0.802 1320 P CB 1.104 32.806 31.700 0.004 0.000 1.035 1321 G N 0.249 109.067 108.800 0.030 0.000 2.212 1321 G HA2 -0.202 3.759 3.960 0.002 0.000 0.266 1321 G HA3 -0.202 3.759 3.960 0.002 0.000 0.266 1321 G C 0.158 175.095 174.900 0.062 0.000 0.978 1321 G CA 0.418 45.539 45.100 0.035 0.000 0.632 1321 G HN 0.810 nan 8.290 nan 0.000 0.537 1322 I N -0.857 119.748 120.570 0.058 0.000 2.646 1322 I HA 0.698 4.869 4.170 0.002 0.000 0.299 1322 I C -1.566 174.600 176.117 0.082 0.000 1.036 1322 I CA -1.184 60.160 61.300 0.073 0.000 1.074 1322 I CB 2.115 40.146 38.000 0.052 0.000 1.258 1322 I HN -0.038 nan 8.210 nan 0.000 0.430 1323 D N 7.996 128.461 120.400 0.109 0.000 2.339 1323 D HA 0.370 5.012 4.640 0.002 0.000 0.241 1323 D C -2.136 174.228 176.300 0.108 0.000 1.183 1323 D CA -1.705 52.357 54.000 0.103 0.000 0.859 1323 D CB 1.597 42.466 40.800 0.116 0.000 1.067 1323 D HN 0.388 nan 8.370 nan 0.000 0.484 1324 P HA 0.174 nan 4.420 nan 0.000 0.254 1324 P C 0.586 177.927 177.300 0.068 0.000 1.620 1324 P CA -0.109 63.033 63.100 0.070 0.000 1.050 1324 P CB 0.802 32.532 31.700 0.049 0.000 1.539 1325 T N -1.246 113.351 114.554 0.072 0.000 2.969 1325 T HA 0.218 4.569 4.350 0.002 0.000 0.250 1325 T C 1.564 176.316 174.700 0.086 0.000 1.021 1325 T CA 0.557 62.693 62.100 0.060 0.000 1.003 1325 T CB 0.212 69.099 68.868 0.032 0.000 1.040 1325 T HN 0.004 nan 8.240 nan 0.000 0.492 1326 R N 0.013 120.593 120.500 0.135 0.000 2.221 1326 R HA 0.411 4.752 4.340 0.002 0.000 0.195 1326 R C 0.855 177.428 176.300 0.455 0.000 0.956 1326 R CA -0.231 56.000 56.100 0.218 0.000 1.064 1326 R CB 0.269 30.642 30.300 0.122 0.000 1.049 1326 R HN 0.300 nan 8.270 nan 0.000 0.534 1327 I N 2.022 122.805 120.570 0.355 0.000 3.075 1327 I HA -0.264 3.907 4.170 0.002 0.000 0.320 1327 I C -0.911 175.357 176.117 0.251 0.000 1.211 1327 I CA 0.983 62.405 61.300 0.202 0.000 1.463 1327 I CB 0.223 38.284 38.000 0.102 0.000 1.308 1327 I HN 0.055 nan 8.210 nan 0.000 0.553 1328 Y N 6.170 126.455 120.300 -0.025 0.000 2.373 1328 Y HA 0.376 4.927 4.550 0.002 0.000 0.336 1328 Y C -0.482 175.419 175.900 0.002 0.000 0.979 1328 Y CA -0.756 57.360 58.100 0.027 0.000 1.080 1328 Y CB 1.786 40.301 38.460 0.091 0.000 1.190 1328 Y HN 0.448 nan 8.280 nan 0.000 0.446 1329 T N 5.952 120.210 114.554 -0.494 0.000 2.758 1329 T HA 0.128 4.479 4.350 0.002 0.000 0.285 1329 T C 0.951 175.194 174.700 -0.760 0.000 0.981 1329 T CA -0.605 61.214 62.100 -0.468 0.000 0.965 1329 T CB 0.444 69.178 68.868 -0.224 0.000 0.927 1329 T HN 0.768 nan 8.240 nan 0.000 0.448 1330 N N 2.347 120.742 118.700 -0.509 0.000 2.364 1330 N HA -0.087 4.655 4.740 0.002 0.000 0.183 1330 N C 0.928 176.385 175.510 -0.089 0.000 1.022 1330 N CA 0.388 53.259 53.050 -0.298 0.000 0.883 1330 N CB -0.069 38.378 38.487 -0.067 0.000 0.965 1330 N HN 0.404 nan 8.380 nan 0.000 0.438 1331 S N -0.216 115.395 115.700 -0.149 0.000 2.515 1331 S HA 0.045 4.516 4.470 0.002 0.000 0.285 1331 S C 0.600 175.125 174.600 -0.126 0.000 1.265 1331 S CA -0.771 57.315 58.200 -0.191 0.000 1.079 1331 S CB -0.425 62.653 63.200 -0.204 0.000 0.877 1331 S HN 0.380 nan 8.310 nan 0.000 0.493 1332 F N 4.521 124.462 119.950 -0.016 0.000 2.714 1332 F HA 0.339 4.867 4.527 0.002 0.000 0.294 1332 F C 1.533 177.352 175.800 0.031 0.000 1.120 1332 F CA -0.365 57.655 58.000 0.033 0.000 1.398 1332 F CB -0.350 38.697 39.000 0.079 0.000 1.120 1332 F HN 0.508 nan 8.300 nan 0.000 0.589 1333 I N 1.776 121.946 120.570 -0.668 0.000 2.315 1333 I HA -0.209 3.962 4.170 0.002 0.000 0.248 1333 I C 1.466 177.502 176.117 -0.136 0.000 1.117 1333 I CA 1.630 62.721 61.300 -0.348 0.000 1.404 1333 I CB -0.601 37.139 38.000 -0.433 0.000 1.071 1333 I HN 0.159 nan 8.210 nan 0.000 0.419 1334 D N 0.715 121.032 120.400 -0.137 0.000 2.117 1334 D HA -0.125 4.516 4.640 0.002 0.000 0.198 1334 D C 2.307 178.599 176.300 -0.013 0.000 0.982 1334 D CA 0.873 54.831 54.000 -0.069 0.000 0.828 1334 D CB -0.021 40.730 40.800 -0.082 0.000 0.967 1334 D HN 0.259 nan 8.370 nan 0.000 0.464 1335 I N 1.247 121.828 120.570 0.018 0.000 2.248 1335 I HA -0.248 3.923 4.170 0.002 0.000 0.248 1335 I C 2.368 178.537 176.117 0.087 0.000 1.107 1335 I CA 0.848 62.196 61.300 0.080 0.000 1.373 1335 I CB -0.618 37.477 38.000 0.157 0.000 1.055 1335 I HN 0.128 nan 8.210 nan 0.000 0.418 1336 M N 0.929 120.583 119.600 0.090 0.000 2.117 1336 M HA -0.219 4.262 4.480 0.002 0.000 0.262 1336 M C 2.059 178.392 176.300 0.055 0.000 1.065 1336 M CA 1.875 57.228 55.300 0.088 0.000 1.114 1336 M CB -0.518 32.142 32.600 0.100 0.000 1.361 1336 M HN 0.283 nan 8.290 nan 0.000 0.408 1337 E N -0.912 119.308 120.200 0.033 0.000 2.106 1337 E HA -0.131 4.221 4.350 0.002 0.000 0.192 1337 E C 1.984 178.598 176.600 0.024 0.000 0.984 1337 E CA 1.358 57.771 56.400 0.021 0.000 0.806 1337 E CB 0.039 29.741 29.700 0.003 0.000 0.750 1337 E HN 0.402 nan 8.360 nan 0.000 0.458 1338 V N 0.834 120.764 119.914 0.027 0.000 2.374 1338 V HA -0.093 4.029 4.120 0.002 0.000 0.241 1338 V C 1.980 178.096 176.094 0.037 0.000 1.034 1338 V CA 1.058 63.374 62.300 0.027 0.000 1.037 1338 V CB -0.137 31.701 31.823 0.025 0.000 0.682 1338 V HN 0.185 nan 8.190 nan 0.000 0.463 1339 L N 0.138 121.391 121.223 0.050 0.000 2.640 1339 L HA 0.552 4.894 4.340 0.002 0.000 0.230 1339 L C 0.916 177.819 176.870 0.054 0.000 1.123 1339 L CA 0.541 55.414 54.840 0.055 0.000 0.900 1339 L CB -0.128 41.974 42.059 0.072 0.000 1.146 1339 L HN 0.550 nan 8.230 nan 0.000 0.484 1340 G N 0.430 109.262 108.800 0.053 0.000 2.690 1340 G HA2 -0.230 3.731 3.960 0.002 0.000 0.686 1340 G HA3 -0.230 3.731 3.960 0.002 0.000 0.686 1340 G C 0.083 175.019 174.900 0.059 0.000 1.277 1340 G CA -0.290 44.840 45.100 0.050 0.000 0.799 1340 G HN -0.046 nan 8.290 nan 0.000 0.613 1341 I N 0.321 120.924 120.570 0.055 0.000 2.335 1341 I HA -0.047 4.124 4.170 0.002 0.000 0.251 1341 I C 2.275 178.429 176.117 0.061 0.000 1.129 1341 I CA 2.460 63.797 61.300 0.061 0.000 1.402 1341 I CB -0.023 38.009 38.000 0.053 0.000 1.069 1341 I HN 0.637 nan 8.210 nan 0.000 0.424 1342 E N 0.211 120.442 120.200 0.052 0.000 2.216 1342 E HA -0.014 4.337 4.350 0.002 0.000 0.192 1342 E C 2.211 178.841 176.600 0.051 0.000 0.988 1342 E CA 0.991 57.418 56.400 0.045 0.000 0.834 1342 E CB -0.099 29.623 29.700 0.037 0.000 0.772 1342 E HN 0.578 nan 8.360 nan 0.000 0.479 1343 A N 0.619 123.476 122.820 0.062 0.000 1.929 1343 A HA -0.012 4.309 4.320 0.002 0.000 0.216 1343 A C 2.399 180.048 177.584 0.109 0.000 1.176 1343 A CA 1.494 53.576 52.037 0.075 0.000 0.628 1343 A CB -0.786 18.262 19.000 0.081 0.000 0.816 1343 A HN 0.307 nan 8.150 nan 0.000 0.444 1344 G N -0.420 108.450 108.800 0.118 0.000 2.462 1344 G HA2 -0.254 3.707 3.960 0.002 0.000 0.220 1344 G HA3 -0.254 3.707 3.960 0.002 0.000 0.220 1344 G C 1.661 176.642 174.900 0.136 0.000 1.121 1344 G CA 0.979 46.173 45.100 0.157 0.000 0.758 1344 G HN 0.554 nan 8.290 nan 0.000 0.559 1345 R N 0.519 121.074 120.500 0.091 0.000 2.103 1345 R HA -0.091 4.250 4.340 0.002 0.000 0.234 1345 R C 2.913 179.267 176.300 0.089 0.000 1.132 1345 R CA 1.781 57.920 56.100 0.066 0.000 0.925 1345 R CB -0.565 29.754 30.300 0.033 0.000 0.842 1345 R HN 0.265 nan 8.270 nan 0.000 0.430 1346 A N 0.660 123.529 122.820 0.083 0.000 1.908 1346 A HA -0.161 4.160 4.320 0.002 0.000 0.218 1346 A C 2.386 180.079 177.584 0.183 0.000 1.181 1346 A CA 1.976 54.075 52.037 0.103 0.000 0.627 1346 A CB -0.884 18.136 19.000 0.034 0.000 0.818 1346 A HN 0.623 nan 8.150 nan 0.000 0.445 1347 A N -0.342 122.598 122.820 0.201 0.000 1.873 1347 A HA -0.130 4.191 4.320 0.002 0.000 0.218 1347 A C 2.175 179.878 177.584 0.197 0.000 1.193 1347 A CA 1.830 54.051 52.037 0.308 0.000 0.629 1347 A CB -0.876 18.365 19.000 0.403 0.000 0.826 1347 A HN 0.709 nan 8.150 nan 0.000 0.447 1348 L N -1.663 119.580 121.223 0.033 0.000 1.976 1348 L HA -0.278 4.063 4.340 0.002 0.000 0.223 1348 L C 2.384 179.185 176.870 -0.115 0.000 1.081 1348 L CA 2.883 57.532 54.840 -0.319 0.000 0.784 1348 L CB -0.785 41.104 42.059 -0.283 0.000 0.896 1348 L HN 0.575 nan 8.230 nan 0.000 0.438 1349 Y N 0.403 120.661 120.300 -0.069 0.000 1.993 1349 Y HA -0.415 4.137 4.550 0.002 0.000 0.267 1349 Y C 2.731 178.674 175.900 0.072 0.000 1.155 1349 Y CA 2.598 60.700 58.100 0.005 0.000 1.105 1349 Y CB -0.505 37.977 38.460 0.036 0.000 0.960 1349 Y HN 0.157 nan 8.280 nan 0.000 0.486 1350 K N -0.168 120.366 120.400 0.222 0.000 2.163 1350 K HA -0.324 3.998 4.320 0.002 0.000 0.210 1350 K C 1.877 178.543 176.600 0.110 0.000 1.048 1350 K CA 2.268 58.639 56.287 0.140 0.000 0.928 1350 K CB -0.222 32.368 32.500 0.151 0.000 0.716 1350 K HN 0.407 nan 8.250 nan 0.000 0.459 1351 E N -0.077 120.181 120.200 0.097 0.000 2.008 1351 E HA -0.105 4.246 4.350 0.002 0.000 0.191 1351 E C 1.978 178.562 176.600 -0.026 0.000 0.986 1351 E CA 1.163 57.605 56.400 0.071 0.000 0.807 1351 E CB -0.351 29.388 29.700 0.064 0.000 0.766 1351 E HN 0.041 nan 8.360 nan 0.000 0.450 1352 V N 0.902 120.745 119.914 -0.118 0.000 2.313 1352 V HA -0.334 3.787 4.120 0.002 0.000 0.253 1352 V C 2.158 178.167 176.094 -0.142 0.000 1.070 1352 V CA 2.333 64.551 62.300 -0.136 0.000 1.057 1352 V CB -0.763 30.963 31.823 -0.161 0.000 0.653 1352 V HN 0.354 nan 8.190 nan 0.000 0.450 1353 Y N 1.308 121.382 120.300 -0.377 0.000 2.089 1353 Y HA -0.222 4.329 4.550 0.002 0.000 0.282 1353 Y C 2.630 178.445 175.900 -0.140 0.000 1.139 1353 Y CA 2.144 60.037 58.100 -0.345 0.000 1.123 1353 Y CB -0.460 37.648 38.460 -0.587 0.000 0.980 1353 Y HN 0.190 nan 8.280 nan 0.000 0.493 1354 N N 0.111 118.842 118.700 0.052 0.000 2.348 1354 N HA -0.177 4.564 4.740 0.002 0.000 0.185 1354 N C 1.775 177.247 175.510 -0.063 0.000 1.019 1354 N CA 1.226 54.283 53.050 0.011 0.000 0.880 1354 N CB -0.103 38.461 38.487 0.128 0.000 0.965 1354 N HN 0.305 nan 8.380 nan 0.000 0.437 1355 V N 1.810 121.682 119.914 -0.070 0.000 2.229 1355 V HA -0.205 3.917 4.120 0.002 0.000 0.243 1355 V C 2.386 178.410 176.094 -0.118 0.000 1.042 1355 V CA 1.055 63.313 62.300 -0.069 0.000 1.000 1355 V CB -0.290 31.504 31.823 -0.049 0.000 0.637 1355 V HN 0.180 nan 8.190 nan 0.000 0.446 1356 I N 0.725 121.195 120.570 -0.167 0.000 2.145 1356 I HA -0.270 3.901 4.170 0.002 0.000 0.244 1356 I C 2.317 178.315 176.117 -0.198 0.000 1.075 1356 I CA 2.461 63.658 61.300 -0.173 0.000 1.332 1356 I CB -1.540 36.352 38.000 -0.181 0.000 1.033 1356 I HN 0.386 nan 8.210 nan 0.000 0.410 1357 A N -0.039 122.581 122.820 -0.332 0.000 2.308 1357 A HA 0.063 4.384 4.320 0.002 0.000 0.217 1357 A C 2.231 179.717 177.584 -0.164 0.000 1.216 1357 A CA 0.694 52.556 52.037 -0.291 0.000 0.864 1357 A CB -0.329 18.362 19.000 -0.515 0.000 0.902 1357 A HN 0.502 nan 8.150 nan 0.000 0.499 1358 S N 0.407 116.031 115.700 -0.126 0.000 2.383 1358 S HA -0.172 4.299 4.470 0.002 0.000 0.227 1358 S C 1.212 175.784 174.600 -0.047 0.000 1.026 1358 S CA 1.559 59.722 58.200 -0.062 0.000 0.981 1358 S CB -0.479 62.700 63.200 -0.035 0.000 0.818 1358 S HN 0.440 nan 8.310 nan 0.000 0.472 1359 D N 1.454 121.822 120.400 -0.053 0.000 2.219 1359 D HA 0.237 4.878 4.640 0.002 0.000 0.205 1359 D C 1.586 177.868 176.300 -0.031 0.000 0.970 1359 D CA 1.570 55.549 54.000 -0.035 0.000 0.851 1359 D CB -0.326 40.453 40.800 -0.035 0.000 0.943 1359 D HN 0.636 nan 8.370 nan 0.000 0.488 1360 G N -1.079 107.694 108.800 -0.045 0.000 2.231 1360 G HA2 -0.232 3.729 3.960 0.002 0.000 0.206 1360 G HA3 -0.232 3.729 3.960 0.002 0.000 0.206 1360 G C 0.620 175.512 174.900 -0.014 0.000 0.996 1360 G CA 0.176 45.258 45.100 -0.030 0.000 0.645 1360 G HN 0.318 nan 8.290 nan 0.000 0.498 1361 S N -0.326 115.362 115.700 -0.019 0.000 2.612 1361 S HA 0.538 5.009 4.470 0.002 0.000 0.253 1361 S C -0.386 174.264 174.600 0.083 0.000 1.346 1361 S CA 0.684 58.892 58.200 0.014 0.000 0.976 1361 S CB 1.095 64.286 63.200 -0.016 0.000 0.949 1361 S HN 1.266 nan 8.310 nan 0.000 0.584 1362 Y N -0.115 120.157 120.300 -0.046 0.000 2.323 1362 Y HA 0.493 5.044 4.550 0.002 0.000 0.322 1362 Y C -1.640 174.282 175.900 0.037 0.000 1.133 1362 Y CA -1.237 56.854 58.100 -0.015 0.000 1.093 1362 Y CB 0.301 38.770 38.460 0.015 0.000 1.203 1362 Y HN 0.361 nan 8.280 nan 0.000 0.427 1363 V N 6.699 126.673 119.914 0.100 0.000 2.435 1363 V HA 0.281 4.402 4.120 0.002 0.000 0.290 1363 V C 0.060 176.161 176.094 0.012 0.000 1.030 1363 V CA -0.958 61.300 62.300 -0.071 0.000 0.881 1363 V CB 1.533 33.393 31.823 0.062 0.000 0.983 1363 V HN 0.837 nan 8.190 nan 0.000 0.445 1364 N N 3.288 121.898 118.700 -0.150 0.000 2.454 1364 N HA -0.048 4.693 4.740 0.002 0.000 0.260 1364 N C 1.011 176.678 175.510 0.262 0.000 1.218 1364 N CA 0.016 53.124 53.050 0.097 0.000 0.904 1364 N CB 0.287 38.774 38.487 0.000 0.000 1.065 1364 N HN 0.663 nan 8.380 nan 0.000 0.462 1365 Y N 4.984 125.469 120.300 0.309 0.000 2.003 1365 Y HA -0.479 4.072 4.550 0.002 0.000 0.261 1365 Y C 2.090 178.031 175.900 0.067 0.000 1.211 1365 Y CA 2.812 61.064 58.100 0.254 0.000 1.098 1365 Y CB -0.346 38.228 38.460 0.191 0.000 0.925 1365 Y HN 0.728 nan 8.280 nan 0.000 0.498 1366 R N -1.242 119.133 120.500 -0.209 0.000 2.196 1366 R HA -0.311 4.030 4.340 0.002 0.000 0.259 1366 R C 1.852 177.886 176.300 -0.443 0.000 1.154 1366 R CA 2.023 57.824 56.100 -0.498 0.000 0.976 1366 R CB -1.582 28.429 30.300 -0.481 0.000 0.888 1366 R HN 0.511 nan 8.270 nan 0.000 0.453 1367 H N 1.081 120.071 119.070 -0.133 0.000 2.256 1367 H HA 0.008 4.565 4.556 0.002 0.000 0.299 1367 H C 2.443 177.708 175.328 -0.104 0.000 1.071 1367 H CA 1.981 57.975 56.048 -0.090 0.000 1.280 1367 H CB -0.459 29.286 29.762 -0.029 0.000 1.370 1367 H HN 0.251 nan 8.280 nan 0.000 0.490 1368 M N 0.272 119.931 119.600 0.099 0.000 2.117 1368 M HA -0.089 4.392 4.480 0.002 0.000 0.262 1368 M C 2.766 179.089 176.300 0.038 0.000 1.065 1368 M CA 1.339 56.688 55.300 0.080 0.000 1.114 1368 M CB -0.490 32.203 32.600 0.155 0.000 1.361 1368 M HN 0.212 nan 8.290 nan 0.000 0.408 1369 A N 1.348 124.091 122.820 -0.128 0.000 1.870 1369 A HA -0.253 4.068 4.320 0.002 0.000 0.219 1369 A C 2.200 179.617 177.584 -0.278 0.000 1.224 1369 A CA 2.230 54.012 52.037 -0.425 0.000 0.650 1369 A CB -1.240 17.041 19.000 -1.198 0.000 0.836 1369 A HN 0.465 nan 8.150 nan 0.000 0.454 1370 L N -0.777 120.273 121.223 -0.290 0.000 1.991 1370 L HA -0.241 4.100 4.340 0.002 0.000 0.221 1370 L C 2.421 179.207 176.870 -0.140 0.000 1.079 1370 L CA 2.684 57.397 54.840 -0.212 0.000 0.778 1370 L CB -0.594 41.366 42.059 -0.164 0.000 0.893 1370 L HN 0.490 nan 8.230 nan 0.000 0.437 1371 L N -1.547 119.614 121.223 -0.102 0.000 2.046 1371 L HA -0.158 4.184 4.340 0.002 0.000 0.208 1371 L C 2.341 179.163 176.870 -0.080 0.000 1.077 1371 L CA 1.795 56.578 54.840 -0.095 0.000 0.747 1371 L CB -0.587 41.420 42.059 -0.085 0.000 0.896 1371 L HN 0.132 nan 8.230 nan 0.000 0.432 1372 V N 0.265 120.149 119.914 -0.051 0.000 2.231 1372 V HA -0.362 3.759 4.120 0.002 0.000 0.248 1372 V C 2.368 178.434 176.094 -0.048 0.000 1.054 1372 V CA 2.287 64.571 62.300 -0.026 0.000 1.015 1372 V CB -0.743 31.113 31.823 0.055 0.000 0.638 1372 V HN 0.543 nan 8.190 nan 0.000 0.444 1373 D N -0.224 120.130 120.400 -0.077 0.000 2.126 1373 D HA -0.183 4.458 4.640 0.002 0.000 0.190 1373 D C 2.198 178.453 176.300 -0.074 0.000 1.001 1373 D CA 1.876 55.826 54.000 -0.083 0.000 0.841 1373 D CB -0.538 40.188 40.800 -0.125 0.000 0.949 1373 D HN 0.305 nan 8.370 nan 0.000 0.446 1374 V N 1.437 121.297 119.914 -0.091 0.000 2.277 1374 V HA -0.346 3.775 4.120 0.002 0.000 0.255 1374 V C 2.578 178.638 176.094 -0.057 0.000 1.074 1374 V CA 2.100 64.347 62.300 -0.089 0.000 1.058 1374 V CB -0.500 31.252 31.823 -0.119 0.000 0.656 1374 V HN 0.258 nan 8.190 nan 0.000 0.449 1375 M N -1.054 118.521 119.600 -0.042 0.000 2.077 1375 M HA -0.143 4.338 4.480 0.002 0.000 0.261 1375 M C 2.174 178.484 176.300 0.016 0.000 1.070 1375 M CA 2.211 57.511 55.300 0.001 0.000 1.125 1375 M CB -0.716 31.891 32.600 0.012 0.000 1.339 1375 M HN 0.257 nan 8.290 nan 0.000 0.409 1376 T N 0.317 114.875 114.554 0.007 0.000 3.284 1376 T HA -0.002 4.349 4.350 0.002 0.000 0.252 1376 T C 1.498 176.203 174.700 0.010 0.000 1.144 1376 T CA 1.317 63.429 62.100 0.021 0.000 1.021 1376 T CB -0.382 68.500 68.868 0.023 0.000 0.984 1376 T HN 0.580 nan 8.240 nan 0.000 0.545 1377 T N -1.865 112.685 114.554 -0.005 0.000 3.044 1377 T HA 0.107 4.459 4.350 0.002 0.000 0.255 1377 T C 1.600 176.305 174.700 0.009 0.000 1.073 1377 T CA 0.192 62.286 62.100 -0.011 0.000 1.125 1377 T CB -0.234 68.609 68.868 -0.042 0.000 0.908 1377 T HN 0.302 nan 8.240 nan 0.000 0.480 1378 Q N 1.144 120.956 119.800 0.019 0.000 2.452 1378 Q HA 0.232 4.573 4.340 0.002 0.000 0.214 1378 Q C 1.542 177.564 176.000 0.037 0.000 0.966 1378 Q CA 0.484 56.305 55.803 0.030 0.000 0.964 1378 Q CB -0.792 27.970 28.738 0.039 0.000 0.992 1378 Q HN 0.839 nan 8.270 nan 0.000 0.517 1379 G N -1.208 107.613 108.800 0.036 0.000 2.527 1379 G HA2 -0.266 3.695 3.960 0.002 0.000 0.218 1379 G HA3 -0.266 3.695 3.960 0.002 0.000 0.218 1379 G C 0.314 175.242 174.900 0.047 0.000 1.177 1379 G CA -0.206 44.919 45.100 0.040 0.000 0.695 1379 G HN 0.631 nan 8.290 nan 0.000 0.517 1380 G N -0.495 108.335 108.800 0.051 0.000 2.932 1380 G HA2 0.670 4.631 3.960 0.002 0.000 0.283 1380 G HA3 0.670 4.631 3.960 0.002 0.000 0.283 1380 G C -0.215 174.729 174.900 0.073 0.000 1.336 1380 G CA -0.858 44.278 45.100 0.061 0.000 1.056 1380 G HN 0.763 nan 8.290 nan 0.000 0.522 1381 L N 1.058 122.335 121.223 0.091 0.000 2.433 1381 L HA 0.240 4.581 4.340 0.002 0.000 0.275 1381 L C 0.093 177.028 176.870 0.108 0.000 1.128 1381 L CA 0.056 54.966 54.840 0.116 0.000 0.875 1381 L CB 0.498 42.658 42.059 0.169 0.000 1.171 1381 L HN 0.276 nan 8.230 nan 0.000 0.463 1382 T N 1.523 116.138 114.554 0.102 0.000 3.145 1382 T HA 0.172 4.524 4.350 0.002 0.000 0.362 1382 T C 0.473 175.258 174.700 0.142 0.000 1.340 1382 T CA -0.601 61.565 62.100 0.110 0.000 1.069 1382 T CB 0.456 69.382 68.868 0.097 0.000 1.129 1382 T HN 0.740 nan 8.240 nan 0.000 0.585 1383 S N 1.673 117.465 115.700 0.154 0.000 2.550 1383 S HA 0.042 4.513 4.470 0.002 0.000 0.285 1383 S C 0.750 175.500 174.600 0.250 0.000 1.326 1383 S CA -0.728 57.578 58.200 0.177 0.000 1.037 1383 S CB 0.233 63.539 63.200 0.178 0.000 0.838 1383 S HN 0.406 nan 8.310 nan 0.000 0.519 1384 V N 2.942 122.999 119.914 0.239 0.000 2.052 1384 V HA 0.321 4.442 4.120 0.002 0.000 0.281 1384 V C 0.206 176.545 176.094 0.408 0.000 1.668 1384 V CA -0.065 62.456 62.300 0.369 0.000 1.621 1384 V CB -1.723 30.141 31.823 0.070 0.000 1.488 1384 V HN 1.035 nan 8.190 nan 0.000 0.513 1385 T N -0.890 113.791 114.554 0.211 0.000 2.886 1385 T HA 0.311 4.662 4.350 0.002 0.000 0.330 1385 T C 1.044 175.521 174.700 -0.372 0.000 1.488 1385 T CA -0.902 61.181 62.100 -0.029 0.000 1.054 1385 T CB 1.804 70.682 68.868 0.017 0.000 1.348 1385 T HN 0.413 nan 8.240 nan 0.000 0.489 1386 R N 1.061 121.366 120.500 -0.324 0.000 2.246 1386 R HA -0.333 4.008 4.340 0.002 0.000 0.266 1386 R C 1.220 177.318 176.300 -0.336 0.000 1.163 1386 R CA 2.389 58.275 56.100 -0.358 0.000 0.992 1386 R CB -1.351 28.773 30.300 -0.294 0.000 0.895 1386 R HN 0.742 nan 8.270 nan 0.000 0.465 1387 H N 0.628 119.646 119.070 -0.086 0.000 2.253 1387 H HA 0.018 4.576 4.556 0.002 0.000 0.299 1387 H C 2.299 177.589 175.328 -0.065 0.000 1.064 1387 H CA 1.495 57.512 56.048 -0.052 0.000 1.264 1387 H CB -1.083 28.673 29.762 -0.009 0.000 1.371 1387 H HN 0.435 nan 8.280 nan 0.000 0.493 1388 G N 1.205 110.050 108.800 0.074 0.000 2.707 1388 G HA2 -0.185 3.777 3.960 0.002 0.000 0.192 1388 G HA3 -0.185 3.777 3.960 0.002 0.000 0.192 1388 G C 1.466 176.357 174.900 -0.015 0.000 1.471 1388 G CA 0.908 46.044 45.100 0.060 0.000 0.865 1388 G HN 0.440 nan 8.290 nan 0.000 0.529 1389 F N 0.965 120.906 119.950 -0.014 0.000 2.236 1389 F HA -0.017 4.512 4.527 0.002 0.000 0.302 1389 F C 1.575 177.342 175.800 -0.056 0.000 1.073 1389 F CA 1.430 59.397 58.000 -0.054 0.000 1.336 1389 F CB -0.568 38.365 39.000 -0.110 0.000 1.040 1389 F HN 0.156 nan 8.300 nan 0.000 0.507 1390 N N 0.180 118.511 118.700 -0.615 0.000 2.295 1390 N HA 0.114 4.856 4.740 0.002 0.000 0.221 1390 N C 0.816 176.234 175.510 -0.152 0.000 1.129 1390 N CA -0.093 52.709 53.050 -0.413 0.000 0.836 1390 N CB -0.053 38.066 38.487 -0.612 0.000 1.040 1390 N HN 0.489 nan 8.380 nan 0.000 0.494 1391 R N -1.370 119.078 120.500 -0.087 0.000 2.566 1391 R HA 0.265 4.607 4.340 0.002 0.000 0.388 1391 R C -0.483 175.815 176.300 -0.003 0.000 0.989 1391 R CA -0.366 55.713 56.100 -0.035 0.000 1.164 1391 R CB -0.765 29.520 30.300 -0.025 0.000 1.459 1391 R HN 0.037 nan 8.270 nan 0.000 0.553 1392 S N 0.930 116.637 115.700 0.013 0.000 2.508 1392 S HA 0.388 4.860 4.470 0.002 0.000 0.284 1392 S C 0.094 174.711 174.600 0.030 0.000 1.192 1392 S CA -0.635 57.583 58.200 0.029 0.000 1.070 1392 S CB 0.894 64.121 63.200 0.045 0.000 1.004 1392 S HN 0.356 nan 8.310 nan 0.000 0.493 1393 N N 2.882 121.597 118.700 0.026 0.000 0.960 1393 N HA -0.308 4.433 4.740 0.002 0.000 0.150 1393 N C 0.176 175.705 175.510 0.032 0.000 0.392 1393 N CA 1.928 54.993 53.050 0.026 0.000 0.877 1393 N CB -2.387 36.115 38.487 0.025 0.000 1.629 1393 N HN 1.413 nan 8.380 nan 0.000 0.553 1394 T N -2.587 111.987 114.554 0.033 0.000 0.541 1394 T HA 0.086 4.437 4.350 0.002 0.000 0.774 1394 T C 0.658 175.386 174.700 0.048 0.000 0.992 1394 T CA 0.653 62.777 62.100 0.039 0.000 4.077 1394 T CB -1.146 67.749 68.868 0.045 0.000 2.303 1394 T HN 1.021 nan 8.240 nan 0.000 0.398 1395 G N 0.667 109.498 108.800 0.052 0.000 2.414 1395 G HA2 0.461 4.422 3.960 0.002 0.000 0.236 1395 G HA3 0.461 4.422 3.960 0.002 0.000 0.236 1395 G C 1.178 176.143 174.900 0.109 0.000 1.293 1395 G CA -0.077 45.068 45.100 0.075 0.000 0.869 1395 G HN 1.397 nan 8.290 nan 0.000 0.556 1396 A N 2.737 125.668 122.820 0.186 0.000 1.851 1396 A HA -0.116 4.205 4.320 0.002 0.000 0.216 1396 A C 2.500 180.169 177.584 0.142 0.000 1.195 1396 A CA 1.545 53.685 52.037 0.171 0.000 0.622 1396 A CB -0.630 18.527 19.000 0.260 0.000 0.831 1396 A HN 0.681 nan 8.150 nan 0.000 0.444 1397 L N -1.330 120.040 121.223 0.247 0.000 2.123 1397 L HA -0.335 4.007 4.340 0.002 0.000 0.217 1397 L C 2.798 179.724 176.870 0.094 0.000 1.081 1397 L CA 2.241 57.186 54.840 0.174 0.000 0.772 1397 L CB -0.475 41.687 42.059 0.171 0.000 0.890 1397 L HN 0.734 nan 8.230 nan 0.000 0.437 1398 M N -0.075 119.576 119.600 0.086 0.000 2.139 1398 M HA -0.251 4.230 4.480 0.002 0.000 0.260 1398 M C 2.334 178.679 176.300 0.075 0.000 1.078 1398 M CA 1.896 57.237 55.300 0.068 0.000 1.106 1398 M CB -0.277 32.358 32.600 0.059 0.000 1.275 1398 M HN -0.090 nan 8.290 nan 0.000 0.425 1399 R N -0.377 120.165 120.500 0.070 0.000 2.211 1399 R HA -0.182 4.159 4.340 0.002 0.000 0.240 1399 R C 2.354 178.696 176.300 0.070 0.000 1.144 1399 R CA 1.454 57.601 56.100 0.079 0.000 0.992 1399 R CB -1.239 29.083 30.300 0.037 0.000 0.869 1399 R HN 0.598 nan 8.270 nan 0.000 0.462 1400 C N 0.419 119.736 119.300 0.029 0.000 2.403 1400 C HA -0.152 4.309 4.460 0.002 0.000 0.277 1400 C C 2.607 177.609 174.990 0.020 0.000 1.248 1400 C CA 1.717 60.730 59.018 -0.009 0.000 1.762 1400 C CB -0.811 26.920 27.740 -0.015 0.000 2.014 1400 C HN 0.628 nan 8.230 nan 0.000 0.486 1401 S N -1.475 114.266 115.700 0.069 0.000 2.603 1401 S HA 0.042 4.514 4.470 0.002 0.000 0.220 1401 S C 0.874 175.583 174.600 0.182 0.000 0.967 1401 S CA 0.215 58.469 58.200 0.090 0.000 0.920 1401 S CB -0.330 62.919 63.200 0.082 0.000 0.773 1401 S HN 0.588 nan 8.310 nan 0.000 0.529 1402 F N 1.669 121.616 119.950 -0.006 0.000 2.480 1402 F HA 0.526 5.055 4.527 0.002 0.000 0.212 1402 F C 2.042 177.828 175.800 -0.024 0.000 1.113 1402 F CA 0.150 58.152 58.000 0.003 0.000 0.970 1402 F CB -0.209 38.799 39.000 0.013 0.000 1.177 1402 F HN 0.111 nan 8.300 nan 0.000 0.663 1403 E N -0.355 119.653 120.200 -0.319 0.000 2.192 1403 E HA 0.081 4.432 4.350 0.002 0.000 0.196 1403 E C 0.043 176.493 176.600 -0.250 0.000 0.922 1403 E CA 0.136 56.224 56.400 -0.521 0.000 0.924 1403 E CB 0.211 29.459 29.700 -0.754 0.000 0.911 1403 E HN 0.289 nan 8.360 nan 0.000 0.478 1404 E N 0.938 121.038 120.200 -0.167 0.000 2.110 1404 E HA 0.072 4.423 4.350 0.002 0.000 0.300 1404 E C 0.107 176.618 176.600 -0.149 0.000 1.278 1404 E CA -0.050 56.266 56.400 -0.140 0.000 1.365 1404 E CB 0.551 30.185 29.700 -0.110 0.000 1.283 1404 E HN 0.223 nan 8.360 nan 0.000 0.490 1405 T N -0.650 113.807 114.554 -0.160 0.000 2.580 1405 T HA -0.220 4.131 4.350 0.002 0.000 0.265 1405 T C 1.866 176.413 174.700 -0.256 0.000 1.063 1405 T CA 1.003 63.000 62.100 -0.171 0.000 1.170 1405 T CB -0.140 68.638 68.868 -0.151 0.000 0.863 1405 T HN 0.201 nan 8.240 nan 0.000 0.418 1406 V N 2.714 122.433 119.914 -0.326 0.000 2.237 1406 V HA -0.181 3.941 4.120 0.002 0.000 0.245 1406 V C 2.937 178.599 176.094 -0.721 0.000 1.046 1406 V CA 2.118 64.069 62.300 -0.582 0.000 1.007 1406 V CB -0.685 30.775 31.823 -0.605 0.000 0.638 1406 V HN 0.607 nan 8.190 nan 0.000 0.445 1407 E N 0.150 120.092 120.200 -0.431 0.000 2.130 1407 E HA -0.251 4.101 4.350 0.002 0.000 0.196 1407 E C 2.167 178.660 176.600 -0.179 0.000 0.998 1407 E CA 1.582 57.865 56.400 -0.194 0.000 0.806 1407 E CB -0.834 28.830 29.700 -0.059 0.000 0.738 1407 E HN 0.455 nan 8.360 nan 0.000 0.459 1408 I N 1.567 122.013 120.570 -0.207 0.000 2.118 1408 I HA -0.253 3.918 4.170 0.002 0.000 0.241 1408 I C 2.740 178.705 176.117 -0.253 0.000 1.070 1408 I CA 1.026 62.219 61.300 -0.179 0.000 1.327 1408 I CB -1.205 36.703 38.000 -0.152 0.000 1.034 1408 I HN 0.100 nan 8.210 nan 0.000 0.405 1409 L N -0.757 120.240 121.223 -0.376 0.000 2.042 1409 L HA -0.242 4.100 4.340 0.002 0.000 0.210 1409 L C 2.615 179.306 176.870 -0.299 0.000 1.076 1409 L CA 1.435 55.970 54.840 -0.508 0.000 0.749 1409 L CB -0.592 41.150 42.059 -0.528 0.000 0.893 1409 L HN 0.110 nan 8.230 nan 0.000 0.432 1410 F N 0.752 120.547 119.950 -0.260 0.000 1.997 1410 F HA -0.295 4.234 4.527 0.002 0.000 0.296 1410 F C 2.746 178.508 175.800 -0.062 0.000 1.160 1410 F CA 1.363 59.207 58.000 -0.259 0.000 1.176 1410 F CB -0.434 38.286 39.000 -0.466 0.000 0.964 1410 F HN 0.212 nan 8.300 nan 0.000 0.484 1411 E N 0.983 121.260 120.200 0.128 0.000 2.396 1411 E HA -0.170 4.181 4.350 0.002 0.000 0.200 1411 E C 1.779 178.362 176.600 -0.030 0.000 1.023 1411 E CA 0.932 57.356 56.400 0.040 0.000 0.857 1411 E CB -0.402 29.268 29.700 -0.051 0.000 0.775 1411 E HN 0.424 nan 8.360 nan 0.000 0.525 1412 A N 1.453 124.237 122.820 -0.060 0.000 2.081 1412 A HA 0.195 4.517 4.320 0.002 0.000 0.214 1412 A C 2.329 179.922 177.584 0.015 0.000 1.158 1412 A CA 0.759 52.750 52.037 -0.077 0.000 0.724 1412 A CB -0.348 18.513 19.000 -0.232 0.000 0.826 1412 A HN 0.379 nan 8.150 nan 0.000 0.463 1413 G N -0.705 108.114 108.800 0.033 0.000 2.453 1413 G HA2 0.189 4.150 3.960 0.002 0.000 0.215 1413 G HA3 0.189 4.150 3.960 0.002 0.000 0.215 1413 G C 1.534 176.485 174.900 0.084 0.000 1.147 1413 G CA 1.039 46.234 45.100 0.158 0.000 0.802 1413 G HN 0.633 nan 8.290 nan 0.000 0.535 1414 A N 0.611 123.428 122.820 -0.005 0.000 1.935 1414 A HA 0.218 4.539 4.320 0.002 0.000 0.214 1414 A C 2.509 179.789 177.584 -0.507 0.000 1.178 1414 A CA 1.670 53.533 52.037 -0.291 0.000 0.640 1414 A CB -0.319 18.471 19.000 -0.349 0.000 0.825 1414 A HN 0.213 nan 8.150 nan 0.000 0.447 1415 S N -0.575 114.922 115.700 -0.338 0.000 2.507 1415 S HA 0.235 4.706 4.470 0.002 0.000 0.235 1415 S C 1.161 175.654 174.600 -0.178 0.000 0.988 1415 S CA 0.810 58.826 58.200 -0.307 0.000 0.944 1415 S CB -0.492 62.601 63.200 -0.178 0.000 0.762 1415 S HN 1.629 nan 8.310 nan 0.000 0.526 1416 A N 1.614 124.385 122.820 -0.083 0.000 2.466 1416 A HA -0.209 4.112 4.320 0.002 0.000 0.295 1416 A C 0.219 177.791 177.584 -0.021 0.000 1.465 1416 A CA 0.563 52.607 52.037 0.011 0.000 0.744 1416 A CB -1.821 17.180 19.000 0.002 0.000 1.098 1416 A HN 0.586 nan 8.150 nan 0.000 0.402 1417 E N -1.406 118.836 120.200 0.070 0.000 2.415 1417 E HA 0.292 4.643 4.350 0.002 0.000 0.262 1417 E C 0.059 176.662 176.600 0.004 0.000 1.038 1417 E CA -0.109 56.336 56.400 0.075 0.000 0.921 1417 E CB 0.579 30.409 29.700 0.217 0.000 0.950 1417 E HN 0.656 nan 8.360 nan 0.000 0.438 1418 L N 2.703 123.893 121.223 -0.054 0.000 2.317 1418 L HA 0.267 4.608 4.340 0.002 0.000 0.281 1418 L C -0.623 176.200 176.870 -0.077 0.000 1.024 1418 L CA -0.164 54.607 54.840 -0.115 0.000 0.810 1418 L CB 1.551 43.535 42.059 -0.125 0.000 1.240 1418 L HN 0.389 nan 8.230 nan 0.000 0.427 1419 D N 2.775 123.094 120.400 -0.136 0.000 2.381 1419 D HA 0.111 4.752 4.640 0.002 0.000 0.235 1419 D C -0.078 176.181 176.300 -0.068 0.000 1.068 1419 D CA -0.313 53.639 54.000 -0.080 0.000 0.832 1419 D CB 1.728 42.462 40.800 -0.110 0.000 1.101 1419 D HN 0.643 nan 8.370 nan 0.000 0.515 1420 D N 1.882 122.263 120.400 -0.030 0.000 2.088 1420 D HA -0.122 4.519 4.640 0.002 0.000 0.191 1420 D C 0.594 176.881 176.300 -0.022 0.000 0.992 1420 D CA 1.105 55.091 54.000 -0.023 0.000 0.831 1420 D CB 0.022 40.819 40.800 -0.005 0.000 0.973 1420 D HN 0.629 nan 8.370 nan 0.000 0.447 1421 C N -0.559 118.735 119.300 -0.010 0.000 4.589 1421 C HA -0.061 4.400 4.460 0.002 0.000 0.317 1421 C C 0.941 175.932 174.990 0.002 0.000 1.078 1421 C CA -0.448 58.565 59.018 -0.007 0.000 2.739 1421 C CB -2.047 25.681 27.740 -0.019 0.000 1.165 1421 C HN 0.411 nan 8.230 nan 0.000 0.706 1422 R N -0.136 120.370 120.500 0.010 0.000 2.544 1422 R HA 0.270 4.612 4.340 0.002 0.000 0.303 1422 R C 0.818 177.130 176.300 0.020 0.000 0.939 1422 R CA 0.669 56.782 56.100 0.021 0.000 1.102 1422 R CB 0.589 30.908 30.300 0.032 0.000 1.440 1422 R HN 0.604 nan 8.270 nan 0.000 0.532 1423 G N 0.580 109.389 108.800 0.014 0.000 2.389 1423 G HA2 0.388 4.349 3.960 0.002 0.000 0.317 1423 G HA3 0.388 4.349 3.960 0.002 0.000 0.317 1423 G C 1.184 176.085 174.900 0.000 0.000 1.137 1423 G CA -0.553 44.552 45.100 0.009 0.000 0.870 1423 G HN -0.171 nan 8.290 nan 0.000 0.496 1424 V N 2.204 122.112 119.914 -0.011 0.000 2.225 1424 V HA -0.314 3.808 4.120 0.002 0.000 0.252 1424 V C 3.033 179.124 176.094 -0.005 0.000 1.055 1424 V CA 2.865 65.155 62.300 -0.016 0.000 1.032 1424 V CB -1.273 30.534 31.823 -0.026 0.000 0.655 1424 V HN 0.763 nan 8.190 nan 0.000 0.458 1425 S N -0.438 115.264 115.700 0.003 0.000 2.392 1425 S HA -0.324 4.147 4.470 0.002 0.000 0.232 1425 S C 1.850 176.462 174.600 0.020 0.000 1.041 1425 S CA 1.998 60.207 58.200 0.015 0.000 1.026 1425 S CB -0.538 62.678 63.200 0.028 0.000 0.845 1425 S HN 0.720 nan 8.310 nan 0.000 0.465 1426 E N 1.492 121.705 120.200 0.022 0.000 2.038 1426 E HA -0.099 4.252 4.350 0.002 0.000 0.195 1426 E C 2.022 178.631 176.600 0.015 0.000 1.000 1426 E CA 1.211 57.626 56.400 0.026 0.000 0.803 1426 E CB -0.156 29.558 29.700 0.023 0.000 0.750 1426 E HN 0.526 nan 8.360 nan 0.000 0.448 1427 N N -0.048 118.655 118.700 0.006 0.000 2.331 1427 N HA -0.095 4.647 4.740 0.002 0.000 0.180 1427 N C 1.825 177.335 175.510 -0.001 0.000 1.019 1427 N CA 0.494 53.544 53.050 -0.001 0.000 0.881 1427 N CB 0.229 38.711 38.487 -0.009 0.000 0.972 1427 N HN 0.013 nan 8.380 nan 0.000 0.435 1428 V N 2.117 122.031 119.914 0.001 0.000 2.295 1428 V HA -0.188 3.933 4.120 0.002 0.000 0.246 1428 V C 2.272 178.371 176.094 0.008 0.000 1.049 1428 V CA 1.296 63.596 62.300 0.001 0.000 1.024 1428 V CB -0.290 31.533 31.823 0.001 0.000 0.648 1428 V HN 0.203 nan 8.190 nan 0.000 0.447 1429 I N -0.442 120.137 120.570 0.015 0.000 2.423 1429 I HA -0.244 3.928 4.170 0.002 0.000 0.254 1429 I C 1.634 177.763 176.117 0.020 0.000 1.151 1429 I CA 1.560 62.873 61.300 0.021 0.000 1.421 1429 I CB -0.037 37.982 38.000 0.033 0.000 1.079 1429 I HN 0.280 nan 8.210 nan 0.000 0.431 1430 L N -0.071 121.161 121.223 0.015 0.000 2.728 1430 L HA 0.350 4.691 4.340 0.002 0.000 0.238 1430 L C 1.096 177.970 176.870 0.007 0.000 1.143 1430 L CA -0.065 54.783 54.840 0.012 0.000 0.937 1430 L CB -0.162 41.902 42.059 0.009 0.000 1.225 1430 L HN 0.280 nan 8.230 nan 0.000 0.507 1431 G N 1.254 110.057 108.800 0.005 0.000 2.372 1431 G HA2 -0.265 3.696 3.960 0.002 0.000 0.297 1431 G HA3 -0.265 3.696 3.960 0.002 0.000 0.297 1431 G C -0.163 174.735 174.900 -0.004 0.000 1.005 1431 G CA 0.247 45.347 45.100 0.001 0.000 1.173 1431 G HN 0.490 nan 8.290 nan 0.000 0.511 1432 Q N -0.967 118.828 119.800 -0.008 0.000 2.458 1432 Q HA 0.629 4.971 4.340 0.002 0.000 0.282 1432 Q C 0.446 176.434 176.000 -0.020 0.000 1.106 1432 Q CA -1.140 54.656 55.803 -0.013 0.000 0.814 1432 Q CB 1.429 30.160 28.738 -0.012 0.000 1.425 1432 Q HN 0.393 nan 8.270 nan 0.000 0.437 1433 M N 1.691 121.275 119.600 -0.026 0.000 2.307 1433 M HA 0.188 4.670 4.480 0.002 0.000 0.346 1433 M C -0.666 175.608 176.300 -0.044 0.000 1.552 1433 M CA -0.029 55.248 55.300 -0.039 0.000 1.116 1433 M CB 0.324 32.896 32.600 -0.046 0.000 1.889 1433 M HN 0.690 nan 8.290 nan 0.000 0.460 1434 A N 7.574 130.367 122.820 -0.046 0.000 2.354 1434 A HA 0.419 4.740 4.320 0.002 0.000 0.281 1434 A C -2.271 175.277 177.584 -0.060 0.000 1.174 1434 A CA -1.481 50.530 52.037 -0.043 0.000 0.828 1434 A CB -0.471 18.507 19.000 -0.037 0.000 1.099 1434 A HN 0.547 nan 8.150 nan 0.000 0.516 1435 P HA 0.072 nan 4.420 nan 0.000 0.231 1435 P C -0.893 176.371 177.300 -0.060 0.000 1.210 1435 P CA 1.269 64.339 63.100 -0.050 0.000 1.332 1435 P CB -0.523 31.176 31.700 -0.001 0.000 1.594 1436 I N 0.786 121.300 120.570 -0.095 0.000 2.649 1436 I HA 0.273 4.444 4.170 0.002 0.000 0.289 1436 I C 1.306 177.357 176.117 -0.110 0.000 1.222 1436 I CA -0.742 60.503 61.300 -0.092 0.000 1.046 1436 I CB 2.087 40.042 38.000 -0.075 0.000 1.272 1436 I HN 0.370 nan 8.210 nan 0.000 0.425 1437 G N 3.974 112.720 108.800 -0.090 0.000 2.678 1437 G HA2 -0.411 3.550 3.960 0.002 0.000 0.362 1437 G HA3 -0.411 3.550 3.960 0.002 0.000 0.362 1437 G C 1.017 175.854 174.900 -0.105 0.000 1.169 1437 G CA 1.556 46.625 45.100 -0.052 0.000 0.933 1437 G HN 0.573 nan 8.290 nan 0.000 0.587 1438 T N 1.250 115.757 114.554 -0.078 0.000 2.837 1438 T HA -0.091 4.261 4.350 0.002 0.000 0.266 1438 T C 2.047 176.467 174.700 -0.467 0.000 1.077 1438 T CA 2.412 64.426 62.100 -0.144 0.000 1.133 1438 T CB -0.502 68.340 68.868 -0.044 0.000 0.830 1438 T HN 1.251 nan 8.240 nan 0.000 0.512 1439 G N -0.620 107.955 108.800 -0.376 0.000 3.277 1439 G HA2 0.441 4.402 3.960 0.002 0.000 0.243 1439 G HA3 0.441 4.402 3.960 0.002 0.000 0.243 1439 G C 1.455 176.132 174.900 -0.372 0.000 1.107 1439 G CA 0.551 45.434 45.100 -0.362 0.000 0.771 1439 G HN 0.501 nan 8.290 nan 0.000 0.544 1440 A N 0.907 123.468 122.820 -0.432 0.000 1.902 1440 A HA 0.290 4.612 4.320 0.002 0.000 0.217 1440 A C 0.941 178.519 177.584 -0.011 0.000 1.181 1440 A CA 0.685 52.663 52.037 -0.097 0.000 0.623 1440 A CB -0.472 18.644 19.000 0.194 0.000 0.818 1440 A HN 0.490 nan 8.150 nan 0.000 0.443 1441 F N -1.419 118.610 119.950 0.132 0.000 2.440 1441 F HA 0.668 5.196 4.527 0.002 0.000 0.328 1441 F C -0.141 175.671 175.800 0.020 0.000 1.070 1441 F CA -1.919 56.103 58.000 0.037 0.000 1.011 1441 F CB 0.472 39.467 39.000 -0.010 0.000 1.226 1441 F HN -0.092 nan 8.300 nan 0.000 0.491 1442 D N 0.292 120.814 120.400 0.204 0.000 2.423 1442 D HA 0.518 5.160 4.640 0.002 0.000 0.255 1442 D C -0.937 175.493 176.300 0.217 0.000 1.174 1442 D CA -0.101 53.985 54.000 0.143 0.000 1.008 1442 D CB 2.302 43.145 40.800 0.071 0.000 1.101 1442 D HN 0.319 nan 8.370 nan 0.000 0.516 1443 V N 1.710 121.706 119.914 0.138 0.000 2.577 1443 V HA 0.391 4.513 4.120 0.002 0.000 0.303 1443 V C -0.020 176.109 176.094 0.058 0.000 1.042 1443 V CA -0.482 61.886 62.300 0.112 0.000 0.872 1443 V CB 1.800 33.705 31.823 0.137 0.000 0.998 1443 V HN 0.439 nan 8.190 nan 0.000 0.423 1444 M N 4.661 124.281 119.600 0.033 0.000 2.745 1444 M HA 0.706 5.188 4.480 0.002 0.000 0.290 1444 M C -1.044 175.262 176.300 0.011 0.000 1.262 1444 M CA -0.814 54.497 55.300 0.019 0.000 0.795 1444 M CB 2.399 35.006 32.600 0.012 0.000 1.758 1444 M HN 0.611 nan 8.290 nan 0.000 0.461 1445 I N 0.000 120.575 120.570 0.008 0.000 2.984 1445 I HA 0.000 4.171 4.170 0.002 0.000 0.288 1445 I CA 0.000 61.304 61.300 0.006 0.000 1.566 1445 I CB 0.000 38.006 38.000 0.010 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494