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 1wcm_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKcQTCQ EGMNEcPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.090 176.094 -0.006 0.000 1.182 2 V CA 0.000 62.294 62.300 -0.011 0.000 1.235 2 V CB 0.000 31.817 31.823 -0.010 0.000 1.184 3 G N 2.209 111.004 108.800 -0.009 0.000 2.527 3 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 3 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 3 G C 0.376 175.272 174.900 -0.007 0.000 1.177 3 G CA 1.385 46.481 45.100 -0.006 0.000 0.695 3 G HN 1.979 nan 8.290 nan 0.000 0.517 4 Q N -1.677 118.120 119.800 -0.003 0.000 0.586 4 Q HA -0.117 4.223 4.340 -0.000 0.000 0.251 4 Q C -0.334 175.677 176.000 0.019 0.000 1.087 4 Q CA 0.461 56.262 55.803 -0.003 0.000 0.479 4 Q CB -1.185 27.541 28.738 -0.019 0.000 5.149 4 Q HN 1.333 nan 8.270 nan 0.000 0.310 5 Q N -0.419 119.397 119.800 0.026 0.000 3.207 5 Q HA -0.238 4.102 4.340 -0.000 0.000 0.028 5 Q C -1.165 174.898 176.000 0.105 0.000 1.694 5 Q CA 1.304 57.139 55.803 0.053 0.000 0.251 5 Q CB -0.380 28.373 28.738 0.024 0.000 0.584 5 Q HN 0.455 nan 8.270 nan 0.000 0.322 6 Y N 2.248 122.537 120.300 -0.018 0.000 2.301 6 Y HA 0.440 4.990 4.550 -0.000 0.000 0.325 6 Y C -0.163 175.730 175.900 -0.011 0.000 1.203 6 Y CA -0.116 57.975 58.100 -0.015 0.000 1.255 6 Y CB 1.261 39.712 38.460 -0.015 0.000 1.232 6 Y HN 0.469 nan 8.280 nan 0.000 0.501 7 S N 2.223 117.670 115.700 -0.422 0.000 2.557 7 S HA 0.310 4.780 4.470 -0.000 0.000 0.291 7 S C 0.143 174.336 174.600 -0.678 0.000 1.116 7 S CA -0.217 57.669 58.200 -0.522 0.000 0.992 7 S CB 1.059 64.149 63.200 -0.184 0.000 1.028 7 S HN 0.892 nan 8.310 nan 0.000 0.484 8 S N 2.013 117.346 115.700 -0.611 0.000 2.595 8 S HA 0.224 4.694 4.470 -0.000 0.000 0.235 8 S C 0.874 175.396 174.600 -0.130 0.000 0.974 8 S CA 0.003 58.005 58.200 -0.330 0.000 0.942 8 S CB -0.768 62.304 63.200 -0.213 0.000 0.766 8 S HN 1.287 nan 8.310 nan 0.000 0.536 9 A N 3.740 126.485 122.820 -0.124 0.000 2.409 9 A HA 0.544 4.864 4.320 -0.000 0.000 0.267 9 A C -1.340 176.236 177.584 -0.013 0.000 1.127 9 A CA -1.519 50.485 52.037 -0.055 0.000 0.795 9 A CB -0.161 18.808 19.000 -0.052 0.000 1.061 9 A HN 0.426 nan 8.150 nan 0.000 0.502 10 P HA 0.276 nan 4.420 nan 0.000 0.270 10 P C -0.814 176.493 177.300 0.011 0.000 1.227 10 P CA -0.126 62.983 63.100 0.015 0.000 0.788 10 P CB 0.616 32.322 31.700 0.009 0.000 0.926 11 L N 0.748 121.982 121.223 0.017 0.000 2.381 11 L HA 0.572 4.912 4.340 -0.000 0.000 0.274 11 L C -0.360 176.513 176.870 0.004 0.000 0.988 11 L CA -0.405 54.441 54.840 0.011 0.000 0.824 11 L CB 1.717 43.788 42.059 0.020 0.000 1.263 11 L HN 0.340 nan 8.230 nan 0.000 0.410 12 R N 1.476 121.974 120.500 -0.004 0.000 2.987 12 R HA 0.732 5.072 4.340 -0.000 0.000 0.248 12 R C -0.916 175.375 176.300 -0.014 0.000 1.264 12 R CA -0.572 55.523 56.100 -0.008 0.000 1.026 12 R CB 1.885 32.179 30.300 -0.010 0.000 1.286 12 R HN 0.718 nan 8.270 nan 0.000 0.483 13 T N -1.705 112.839 114.554 -0.017 0.000 2.895 13 T HA 0.409 4.759 4.350 -0.000 0.000 0.283 13 T C 0.172 174.854 174.700 -0.031 0.000 1.014 13 T CA -0.767 61.319 62.100 -0.023 0.000 1.037 13 T CB 1.554 70.410 68.868 -0.021 0.000 1.006 13 T HN 0.133 nan 8.240 nan 0.000 0.468 14 V N 3.533 123.424 119.914 -0.038 0.000 2.572 14 V HA 0.170 4.290 4.120 -0.000 0.000 0.291 14 V C 1.109 177.174 176.094 -0.048 0.000 1.039 14 V CA 0.066 62.336 62.300 -0.051 0.000 1.055 14 V CB 0.692 32.478 31.823 -0.062 0.000 0.969 14 V HN 0.912 nan 8.190 nan 0.000 0.482 15 K N 3.001 123.370 120.400 -0.052 0.000 2.367 15 K HA 0.314 4.633 4.320 -0.000 0.000 0.198 15 K C 0.191 176.758 176.600 -0.055 0.000 1.132 15 K CA 0.269 56.531 56.287 -0.043 0.000 0.941 15 K CB 1.025 33.506 32.500 -0.031 0.000 1.052 15 K HN 0.695 nan 8.250 nan 0.000 0.507 16 E N 0.840 120.994 120.200 -0.077 0.000 2.369 16 E HA 0.418 4.768 4.350 -0.000 0.000 0.270 16 E C -1.293 175.205 176.600 -0.170 0.000 0.909 16 E CA -0.843 55.496 56.400 -0.101 0.000 0.775 16 E CB 3.126 32.776 29.700 -0.082 0.000 1.270 16 E HN -0.263 nan 8.360 nan 0.000 0.445 17 V N 2.261 122.026 119.914 -0.247 0.000 2.409 17 V HA 0.179 4.299 4.120 -0.000 0.000 0.290 17 V C -0.676 175.066 176.094 -0.585 0.000 1.017 17 V CA -0.839 61.196 62.300 -0.441 0.000 0.841 17 V CB 1.477 32.981 31.823 -0.533 0.000 1.003 17 V HN 0.543 nan 8.190 nan 0.000 0.426 18 Q N 4.025 123.498 119.800 -0.545 0.000 2.390 18 Q HA 0.453 4.793 4.340 -0.000 0.000 0.249 18 Q C -0.898 174.762 176.000 -0.567 0.000 0.996 18 Q CA -0.101 55.396 55.803 -0.510 0.000 0.899 18 Q CB 1.196 29.610 28.738 -0.540 0.000 1.216 18 Q HN 0.649 nan 8.270 nan 0.000 0.465 19 F N 1.342 121.173 119.950 -0.199 0.000 2.421 19 F HA 0.445 4.972 4.527 -0.000 0.000 0.358 19 F C 1.204 176.896 175.800 -0.179 0.000 1.115 19 F CA -0.296 57.599 58.000 -0.174 0.000 1.160 19 F CB 1.176 40.126 39.000 -0.084 0.000 1.123 19 F HN 0.463 nan 8.300 nan 0.000 0.508 20 G N 3.744 112.507 108.800 -0.061 0.000 3.211 20 G HA2 0.800 4.760 3.960 -0.000 0.000 0.262 20 G HA3 0.800 4.760 3.960 -0.000 0.000 0.262 20 G C -1.507 173.339 174.900 -0.090 0.000 1.352 20 G CA -0.828 44.215 45.100 -0.095 0.000 1.004 20 G HN 0.427 nan 8.290 nan 0.000 0.559 21 L N -0.356 120.790 121.223 -0.128 0.000 2.370 21 L HA 0.473 4.812 4.340 -0.000 0.000 0.266 21 L C -1.007 175.647 176.870 -0.359 0.000 1.002 21 L CA -0.716 54.068 54.840 -0.093 0.000 0.818 21 L CB 2.742 44.895 42.059 0.157 0.000 1.325 21 L HN 0.419 nan 8.230 nan 0.000 0.418 22 F N 1.026 120.797 119.950 -0.298 0.000 2.438 22 F HA 0.133 4.660 4.527 -0.000 0.000 0.356 22 F C 0.771 176.167 175.800 -0.674 0.000 1.099 22 F CA -0.496 57.256 58.000 -0.412 0.000 1.185 22 F CB 1.457 40.328 39.000 -0.215 0.000 1.115 22 F HN 0.458 nan 8.300 nan 0.000 0.526 23 S N 5.963 121.318 115.700 -0.574 0.000 2.465 23 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 23 S C -1.641 172.966 174.600 0.012 0.000 1.201 23 S CA -1.404 56.455 58.200 -0.568 0.000 1.053 23 S CB 1.156 64.213 63.200 -0.239 0.000 0.953 23 S HN 0.455 nan 8.310 nan 0.000 0.488 24 P HA -0.249 nan 4.420 nan 0.000 0.219 24 P C 0.901 178.244 177.300 0.072 0.000 1.153 24 P CA 1.538 64.705 63.100 0.112 0.000 0.865 24 P CB 0.183 31.986 31.700 0.172 0.000 0.788 25 E N 0.098 120.378 120.200 0.133 0.000 2.038 25 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 25 E C 2.274 178.890 176.600 0.027 0.000 1.000 25 E CA 1.587 58.044 56.400 0.094 0.000 0.803 25 E CB -0.775 29.017 29.700 0.153 0.000 0.750 25 E HN 0.467 nan 8.360 nan 0.000 0.448 26 E N 0.308 120.527 120.200 0.032 0.000 2.031 26 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 26 E C 2.063 178.587 176.600 -0.127 0.000 0.994 26 E CA 1.474 57.880 56.400 0.010 0.000 0.800 26 E CB -0.017 29.755 29.700 0.122 0.000 0.752 26 E HN 0.057 nan 8.360 nan 0.000 0.447 27 V N 1.573 121.321 119.914 -0.275 0.000 2.277 27 V HA -0.395 3.725 4.120 -0.000 0.000 0.255 27 V C 2.504 178.437 176.094 -0.268 0.000 1.074 27 V CA 2.536 64.563 62.300 -0.456 0.000 1.058 27 V CB -0.719 30.895 31.823 -0.348 0.000 0.656 27 V HN 0.324 nan 8.190 nan 0.000 0.449 28 R N -0.215 120.160 120.500 -0.208 0.000 2.092 28 R HA -0.125 4.215 4.340 -0.000 0.000 0.226 28 R C 2.512 178.654 176.300 -0.263 0.000 1.140 28 R CA 1.476 57.372 56.100 -0.341 0.000 0.910 28 R CB -1.052 29.120 30.300 -0.213 0.000 0.822 28 R HN 0.497 nan 8.270 nan 0.000 0.433 29 A N 1.794 124.529 122.820 -0.143 0.000 1.899 29 A HA -0.303 4.017 4.320 -0.000 0.000 0.230 29 A C 2.245 179.779 177.584 -0.083 0.000 1.593 29 A CA 2.353 54.339 52.037 -0.085 0.000 0.728 29 A CB -1.179 17.800 19.000 -0.035 0.000 0.848 29 A HN 0.362 nan 8.150 nan 0.000 0.490 30 I N -0.609 119.911 120.570 -0.083 0.000 2.151 30 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 30 I C 1.856 177.957 176.117 -0.026 0.000 1.080 30 I CA 1.075 62.345 61.300 -0.051 0.000 1.339 30 I CB -0.497 37.458 38.000 -0.075 0.000 1.039 30 I HN 0.447 nan 8.210 nan 0.000 0.409 31 S N -0.184 115.480 115.700 -0.061 0.000 2.572 31 S HA 0.034 4.504 4.470 -0.000 0.000 0.262 31 S C 0.663 175.268 174.600 0.008 0.000 1.375 31 S CA 0.387 58.590 58.200 0.005 0.000 0.996 31 S CB 1.048 64.233 63.200 -0.026 0.000 0.892 31 S HN 0.265 nan 8.310 nan 0.000 0.562 32 V N -0.560 119.392 119.914 0.063 0.000 3.440 32 V HA 0.736 4.856 4.120 -0.000 0.000 0.301 32 V C -0.115 176.022 176.094 0.071 0.000 1.555 32 V CA 0.187 62.513 62.300 0.043 0.000 1.095 32 V CB -0.203 31.636 31.823 0.025 0.000 0.936 32 V HN 0.900 nan 8.190 nan 0.000 0.452 33 A N 0.623 123.518 122.820 0.124 0.000 2.335 33 A HA 0.858 5.178 4.320 -0.000 0.000 0.304 33 A C 0.517 178.225 177.584 0.206 0.000 1.118 33 A CA -0.502 51.614 52.037 0.132 0.000 0.757 33 A CB 1.882 20.939 19.000 0.096 0.000 1.188 33 A HN 0.084 nan 8.150 nan 0.000 0.460 34 K N 1.430 121.916 120.400 0.143 0.000 2.062 34 K HA 0.149 4.469 4.320 -0.000 0.000 0.205 34 K C 0.439 177.036 176.600 -0.005 0.000 1.051 34 K CA 0.838 57.194 56.287 0.116 0.000 0.941 34 K CB -0.514 32.052 32.500 0.110 0.000 0.719 34 K HN 0.815 nan 8.250 nan 0.000 0.440 35 I N 1.314 121.911 120.570 0.045 0.000 7.277 35 I HA -0.389 3.781 4.170 -0.000 0.000 0.126 35 I C 0.606 176.726 176.117 0.004 0.000 1.720 35 I CA 0.218 61.535 61.300 0.028 0.000 2.268 35 I CB -0.604 37.375 38.000 -0.035 0.000 3.404 35 I HN 0.219 nan 8.210 nan 0.000 0.234 36 R N 1.714 122.273 120.500 0.098 0.000 2.195 36 R HA 0.251 4.591 4.340 -0.000 0.000 0.197 36 R C 0.313 176.527 176.300 -0.144 0.000 0.990 36 R CA 0.581 56.640 56.100 -0.067 0.000 1.048 36 R CB 0.299 30.496 30.300 -0.171 0.000 0.997 36 R HN 0.249 nan 8.270 nan 0.000 0.502 37 F N 1.144 121.076 119.950 -0.030 0.000 2.377 37 F HA 0.294 4.821 4.527 -0.000 0.000 0.328 37 F C -1.328 174.460 175.800 -0.021 0.000 1.094 37 F CA -2.747 55.240 58.000 -0.021 0.000 1.093 37 F CB 0.669 39.661 39.000 -0.014 0.000 1.214 37 F HN -0.167 nan 8.300 nan 0.000 0.518 38 P HA 0.068 nan 4.420 nan 0.000 0.252 38 P C -0.331 177.023 177.300 0.091 0.000 1.211 38 P CA 0.389 63.542 63.100 0.088 0.000 0.824 38 P CB 0.528 32.256 31.700 0.048 0.000 1.077 39 E N -0.110 120.158 120.200 0.113 0.000 2.435 39 E HA 0.071 4.421 4.350 -0.000 0.000 0.256 39 E C 0.718 177.354 176.600 0.059 0.000 1.245 39 E CA 0.356 56.801 56.400 0.076 0.000 0.989 39 E CB 0.274 30.014 29.700 0.067 0.000 0.983 39 E HN -0.033 nan 8.360 nan 0.000 0.480 40 T N -0.103 114.479 114.554 0.047 0.000 3.031 40 T HA 0.076 4.426 4.350 -0.000 0.000 0.236 40 T C 1.301 176.002 174.700 0.002 0.000 1.005 40 T CA 0.796 62.918 62.100 0.037 0.000 1.230 40 T CB 0.147 69.049 68.868 0.057 0.000 0.913 40 T HN 0.385 nan 8.240 nan 0.000 0.419 41 M N -0.239 119.360 119.600 -0.002 0.000 2.337 41 M HA 0.336 4.816 4.480 -0.000 0.000 0.277 41 M C -1.046 175.237 176.300 -0.028 0.000 2.156 41 M CA -0.593 54.693 55.300 -0.023 0.000 1.731 41 M CB 0.153 32.745 32.600 -0.015 0.000 1.843 41 M HN -0.207 nan 8.290 nan 0.000 0.885 42 D N 3.820 124.210 120.400 -0.016 0.000 4.554 42 D HA -0.134 4.506 4.640 -0.000 0.000 0.185 42 D C -0.718 175.565 176.300 -0.028 0.000 1.202 42 D CA 0.878 54.869 54.000 -0.014 0.000 0.870 42 D CB -0.430 40.370 40.800 -0.000 0.000 1.028 42 D HN 0.451 nan 8.370 nan 0.000 0.550 43 E N 0.718 120.895 120.200 -0.039 0.000 2.860 43 E HA 0.053 4.403 4.350 -0.000 0.000 0.318 43 E C 0.129 176.710 176.600 -0.031 0.000 1.481 43 E CA -0.019 56.350 56.400 -0.052 0.000 1.613 43 E CB -0.229 29.438 29.700 -0.056 0.000 1.279 43 E HN 0.280 nan 8.360 nan 0.000 0.489 44 T N 0.996 115.538 114.554 -0.021 0.000 4.338 44 T HA -0.199 4.151 4.350 -0.000 0.000 0.345 44 T C 0.567 175.263 174.700 -0.007 0.000 0.755 44 T CA 0.614 62.709 62.100 -0.009 0.000 1.995 44 T CB -1.551 67.312 68.868 -0.009 0.000 1.873 44 T HN 0.695 nan 8.240 nan 0.000 0.944 45 Q N -2.284 117.513 119.800 -0.005 0.000 2.604 45 Q HA -0.201 4.139 4.340 -0.000 0.000 0.160 45 Q C 0.397 176.394 176.000 -0.004 0.000 1.724 45 Q CA 2.012 57.815 55.803 -0.001 0.000 1.083 45 Q CB -1.802 26.937 28.738 0.002 0.000 1.016 45 Q HN 0.754 nan 8.270 nan 0.000 0.939 46 T N 2.662 117.211 114.554 -0.009 0.000 2.866 46 T HA 0.081 4.431 4.350 -0.000 0.000 0.293 46 T C 0.267 174.958 174.700 -0.014 0.000 1.005 46 T CA 0.340 62.433 62.100 -0.011 0.000 1.162 46 T CB 0.238 69.096 68.868 -0.016 0.000 0.968 46 T HN 0.116 nan 8.240 nan 0.000 0.530 47 R N 2.098 122.592 120.500 -0.011 0.000 2.438 47 R HA 0.580 4.920 4.340 -0.000 0.000 0.287 47 R C 0.534 176.824 176.300 -0.018 0.000 1.077 47 R CA -0.202 55.891 56.100 -0.012 0.000 1.034 47 R CB 0.637 30.932 30.300 -0.007 0.000 0.993 47 R HN 0.829 nan 8.270 nan 0.000 0.459 48 A N 2.131 124.939 122.820 -0.021 0.000 4.089 48 A HA 0.207 4.527 4.320 -0.000 0.000 0.106 48 A C -1.507 176.058 177.584 -0.031 0.000 1.267 48 A CA -0.769 51.252 52.037 -0.026 0.000 1.347 48 A CB 0.459 19.441 19.000 -0.030 0.000 1.425 48 A HN 0.543 nan 8.150 nan 0.000 0.665 49 K N -0.136 120.239 120.400 -0.042 0.000 2.557 49 K HA 0.657 4.977 4.320 -0.000 0.000 0.261 49 K C -1.428 175.125 176.600 -0.078 0.000 0.932 49 K CA -0.438 55.819 56.287 -0.050 0.000 0.829 49 K CB 2.217 34.694 32.500 -0.039 0.000 1.358 49 K HN 0.567 nan 8.250 nan 0.000 0.430 50 I N 0.866 121.370 120.570 -0.110 0.000 2.532 50 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 50 I C 1.371 177.375 176.117 -0.188 0.000 1.014 50 I CA -0.364 60.822 61.300 -0.191 0.000 1.340 50 I CB 1.194 39.010 38.000 -0.305 0.000 1.422 50 I HN 0.873 nan 8.210 nan 0.000 0.528 51 G N 3.758 112.433 108.800 -0.209 0.000 3.266 51 G HA2 0.198 4.158 3.960 -0.000 0.000 0.238 51 G HA3 0.198 4.158 3.960 -0.000 0.000 0.238 51 G C 0.702 175.528 174.900 -0.124 0.000 1.076 51 G CA 0.406 45.431 45.100 -0.125 0.000 1.804 51 G HN 0.960 nan 8.290 nan 0.000 0.600 52 G N -0.296 108.422 108.800 -0.136 0.000 2.534 52 G HA2 0.415 4.375 3.960 -0.000 0.000 0.220 52 G HA3 0.415 4.375 3.960 -0.000 0.000 0.220 52 G C 0.198 175.148 174.900 0.083 0.000 1.699 52 G CA -0.278 44.846 45.100 0.039 0.000 0.769 52 G HN 0.408 nan 8.290 nan 0.000 0.632 53 L N 0.910 122.157 121.223 0.041 0.000 2.313 53 L HA 0.402 4.742 4.340 -0.000 0.000 0.268 53 L C -0.524 176.347 176.870 0.001 0.000 1.010 53 L CA -0.678 54.178 54.840 0.027 0.000 0.814 53 L CB 1.547 43.626 42.059 0.034 0.000 1.304 53 L HN 0.710 nan 8.230 nan 0.000 0.441 54 N N 1.633 120.328 118.700 -0.009 0.000 2.726 54 N HA -0.260 4.480 4.740 -0.000 0.000 0.307 54 N C -0.413 175.088 175.510 -0.015 0.000 1.207 54 N CA 1.355 54.394 53.050 -0.018 0.000 0.728 54 N CB -0.692 37.778 38.487 -0.028 0.000 1.017 54 N HN 0.823 nan 8.380 nan 0.000 0.559 55 D N -0.865 119.532 120.400 -0.006 0.000 3.126 55 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 55 D C -2.216 174.082 176.300 -0.004 0.000 1.047 55 D CA 0.341 54.340 54.000 -0.001 0.000 0.895 55 D CB -1.067 39.727 40.800 -0.009 0.000 1.063 55 D HN 0.550 nan 8.370 nan 0.000 0.449 56 P HA 0.215 nan 4.420 nan 0.000 0.252 56 P C 0.125 177.432 177.300 0.011 0.000 1.265 56 P CA 0.639 63.742 63.100 0.005 0.000 0.775 56 P CB 0.276 31.994 31.700 0.031 0.000 1.128 57 R N -4.613 115.894 120.500 0.012 0.000 1.920 57 R HA 0.006 4.346 4.340 -0.000 0.000 0.327 57 R C 0.429 176.751 176.300 0.037 0.000 0.345 57 R CA -0.123 55.982 56.100 0.009 0.000 1.282 57 R CB -1.348 28.950 30.300 -0.003 0.000 1.636 57 R HN 0.127 nan 8.270 nan 0.000 0.396 58 L N 0.254 121.510 121.223 0.057 0.000 2.341 58 L HA 0.218 4.558 4.340 -0.000 0.000 0.185 58 L C 1.947 178.893 176.870 0.127 0.000 1.091 58 L CA 0.677 55.580 54.840 0.105 0.000 0.899 58 L CB -0.356 41.730 42.059 0.044 0.000 1.357 58 L HN 0.184 nan 8.230 nan 0.000 0.535 59 G N -0.724 108.149 108.800 0.121 0.000 2.379 59 G HA2 0.251 4.211 3.960 -0.000 0.000 0.287 59 G HA3 0.251 4.211 3.960 -0.000 0.000 0.287 59 G C 0.061 174.988 174.900 0.044 0.000 1.422 59 G CA 0.475 45.632 45.100 0.095 0.000 1.081 59 G HN 0.802 nan 8.290 nan 0.000 0.569 60 S N -2.451 113.260 115.700 0.019 0.000 2.929 60 S HA 0.747 5.217 4.470 -0.000 0.000 0.311 60 S C -0.199 174.392 174.600 -0.015 0.000 1.213 60 S CA -0.374 57.827 58.200 0.001 0.000 0.908 60 S CB 1.045 64.248 63.200 0.005 0.000 1.287 60 S HN 0.642 nan 8.310 nan 0.000 0.594 61 I N -1.221 119.337 120.570 -0.019 0.000 4.380 61 I HA 0.410 4.580 4.170 -0.000 0.000 0.219 61 I C -0.543 175.558 176.117 -0.026 0.000 0.844 61 I CA -0.826 60.456 61.300 -0.030 0.000 1.753 61 I CB -0.062 37.915 38.000 -0.039 0.000 1.103 61 I HN 0.696 nan 8.210 nan 0.000 0.372 62 D N 2.322 122.704 120.400 -0.031 0.000 2.846 62 D HA -0.215 4.425 4.640 -0.000 0.000 0.223 62 D C -0.144 176.144 176.300 -0.021 0.000 1.171 62 D CA 0.998 54.983 54.000 -0.026 0.000 0.627 62 D CB -0.384 40.403 40.800 -0.022 0.000 1.052 62 D HN 0.426 nan 8.370 nan 0.000 0.415 63 R N -0.785 119.703 120.500 -0.021 0.000 3.158 63 R HA -0.203 4.137 4.340 -0.000 0.000 0.244 63 R C -0.699 175.594 176.300 -0.012 0.000 0.900 63 R CA 0.552 56.642 56.100 -0.016 0.000 0.618 63 R CB -1.457 28.834 30.300 -0.016 0.000 1.061 63 R HN 0.229 nan 8.270 nan 0.000 0.471 64 N N 1.103 119.797 118.700 -0.011 0.000 2.504 64 N HA 0.205 4.945 4.740 -0.000 0.000 0.280 64 N C 1.367 176.875 175.510 -0.004 0.000 1.052 64 N CA -0.566 52.479 53.050 -0.008 0.000 0.887 64 N CB 1.211 39.692 38.487 -0.010 0.000 1.323 64 N HN 0.028 nan 8.380 nan 0.000 0.509 65 L N 1.496 122.717 121.223 -0.003 0.000 2.229 65 L HA -0.341 3.999 4.340 -0.000 0.000 0.250 65 L C 0.550 177.422 176.870 0.004 0.000 1.110 65 L CA 1.616 56.456 54.840 -0.000 0.000 0.838 65 L CB -0.745 41.312 42.059 -0.003 0.000 0.962 65 L HN 0.531 nan 8.230 nan 0.000 0.437 66 K N -0.372 120.027 120.400 -0.001 0.000 2.371 66 K HA -0.239 4.081 4.320 -0.000 0.000 0.242 66 K C -0.218 176.388 176.600 0.009 0.000 1.060 66 K CA 0.545 56.831 56.287 -0.002 0.000 1.136 66 K CB -0.457 32.039 32.500 -0.007 0.000 0.721 66 K HN 0.465 nan 8.250 nan 0.000 0.481 67 c N 3.622 122.227 118.600 0.009 0.000 3.177 67 c HA 0.109 4.679 4.570 -0.000 0.000 0.264 67 c C -0.546 173.515 174.090 -0.048 0.000 2.151 67 c CA -0.237 56.114 56.329 0.036 0.000 1.254 67 c CB -0.892 41.679 42.510 0.102 0.000 2.264 67 c HN 1.036 nan 8.230 nan 0.000 0.571 68 Q N 0.179 119.946 119.800 -0.055 0.000 2.434 68 Q HA -0.161 4.179 4.340 -0.000 0.000 0.288 68 Q C 0.889 176.846 176.000 -0.072 0.000 1.372 68 Q CA 0.750 56.501 55.803 -0.086 0.000 0.731 68 Q CB -1.763 26.870 28.738 -0.175 0.000 1.126 68 Q HN 0.762 nan 8.270 nan 0.000 0.398 69 T N -3.026 111.503 114.554 -0.042 0.000 10.235 69 T HA -0.416 3.934 4.350 -0.000 0.000 0.395 69 T C 1.357 176.041 174.700 -0.028 0.000 1.613 69 T CA 1.756 63.838 62.100 -0.031 0.000 2.565 69 T CB -1.823 67.026 68.868 -0.032 0.000 2.818 69 T HN 0.903 nan 8.240 nan 0.000 1.101 70 C N 3.134 122.409 119.300 -0.041 0.000 2.370 70 C HA -0.144 4.316 4.460 -0.000 0.000 0.311 70 C C 2.070 177.064 174.990 0.006 0.000 1.407 70 C CA 1.675 60.680 59.018 -0.022 0.000 1.807 70 C CB -2.120 25.604 27.740 -0.027 0.000 1.782 70 C HN 0.892 nan 8.230 nan 0.000 0.565 71 Q N -0.345 119.456 119.800 0.002 0.000 2.271 71 Q HA -0.426 3.914 4.340 -0.000 0.000 0.460 71 Q C 0.888 176.898 176.000 0.015 0.000 0.708 71 Q CA 2.166 57.972 55.803 0.006 0.000 0.880 71 Q CB -1.226 27.511 28.738 -0.002 0.000 3.274 71 Q HN 0.531 nan 8.270 nan 0.000 0.942 72 E N -1.243 118.961 120.200 0.008 0.000 5.150 72 E HA -0.295 4.055 4.350 -0.000 0.000 0.167 72 E C 0.862 177.467 176.600 0.008 0.000 1.196 72 E CA 2.669 59.074 56.400 0.009 0.000 2.189 72 E CB -2.042 27.668 29.700 0.016 0.000 1.820 72 E HN 1.758 nan 8.360 nan 0.000 0.420 73 G N 0.608 109.416 108.800 0.014 0.000 2.757 73 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 73 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 73 G C 0.854 175.757 174.900 0.005 0.000 1.452 73 G CA 0.984 46.090 45.100 0.009 0.000 0.922 73 G HN 0.212 nan 8.290 nan 0.000 0.588 74 M N 0.149 119.750 119.600 0.001 0.000 3.572 74 M HA -0.360 4.120 4.480 -0.000 0.000 0.287 74 M C 1.499 177.793 176.300 -0.009 0.000 0.611 74 M CA 2.617 57.913 55.300 -0.007 0.000 0.860 74 M CB -0.844 31.747 32.600 -0.014 0.000 1.656 74 M HN 0.800 nan 8.290 nan 0.000 0.567 75 N N 1.092 119.786 118.700 -0.010 0.000 2.415 75 N HA 0.121 4.861 4.740 -0.000 0.000 0.250 75 N C 0.005 175.511 175.510 -0.006 0.000 1.127 75 N CA 0.977 54.021 53.050 -0.011 0.000 0.945 75 N CB 0.885 39.364 38.487 -0.013 0.000 1.196 75 N HN 0.486 nan 8.380 nan 0.000 0.499 76 E N 1.982 122.179 120.200 -0.006 0.000 4.516 76 E HA -0.143 4.207 4.350 -0.000 0.000 0.388 76 E C -1.188 175.418 176.600 0.010 0.000 0.576 76 E CA 0.158 56.558 56.400 0.000 0.000 1.574 76 E CB -1.727 27.974 29.700 0.003 0.000 1.929 76 E HN 0.409 nan 8.360 nan 0.000 0.302 77 c N 2.363 120.965 118.600 0.004 0.000 2.751 77 c HA 0.530 5.100 4.570 -0.000 0.000 0.248 77 c C -1.888 172.151 174.090 -0.085 0.000 1.710 77 c CA -0.935 55.407 56.329 0.021 0.000 1.676 77 c CB -1.014 41.545 42.510 0.081 0.000 3.106 77 c HN 0.430 nan 8.230 nan 0.000 0.502 78 P HA -0.096 nan 4.420 nan 0.000 0.281 78 P C 0.630 177.753 177.300 -0.294 0.000 1.347 78 P CA 1.093 64.105 63.100 -0.147 0.000 0.943 78 P CB 0.363 31.991 31.700 -0.120 0.000 0.740 79 G N -0.014 108.673 108.800 -0.188 0.000 2.684 79 G HA2 0.219 4.179 3.960 -0.000 0.000 0.255 79 G HA3 0.219 4.179 3.960 -0.000 0.000 0.255 79 G C -0.430 174.251 174.900 -0.366 0.000 1.219 79 G CA -0.329 44.645 45.100 -0.210 0.000 0.901 79 G HN 0.669 nan 8.290 nan 0.000 0.548 80 H N 0.293 119.426 119.070 0.106 0.000 2.887 80 H HA 0.217 4.773 4.556 -0.000 0.000 0.300 80 H C -0.389 175.050 175.328 0.186 0.000 1.038 80 H CA -0.776 55.362 56.048 0.150 0.000 1.352 80 H CB 0.664 30.473 29.762 0.079 0.000 1.473 80 H HN 0.225 nan 8.280 nan 0.000 0.503 81 F N 1.504 121.500 119.950 0.077 0.000 2.647 81 F HA 0.106 4.633 4.527 -0.000 0.000 0.363 81 F C 1.561 177.394 175.800 0.054 0.000 1.130 81 F CA 1.138 59.166 58.000 0.047 0.000 1.351 81 F CB 0.530 39.537 39.000 0.012 0.000 1.026 81 F HN 0.535 nan 8.300 nan 0.000 0.607 82 G N 1.100 109.961 108.800 0.103 0.000 2.600 82 G HA2 0.616 4.576 3.960 -0.000 0.000 0.303 82 G HA3 0.616 4.576 3.960 -0.000 0.000 0.303 82 G C -1.660 173.343 174.900 0.171 0.000 1.253 82 G CA -0.713 44.459 45.100 0.121 0.000 0.974 82 G HN 0.899 nan 8.290 nan 0.000 0.483 83 H N -2.095 116.977 119.070 0.005 0.000 2.949 83 H HA 0.795 5.351 4.556 -0.000 0.000 0.356 83 H C -1.453 173.867 175.328 -0.013 0.000 1.212 83 H CA -1.240 54.802 56.048 -0.011 0.000 1.136 83 H CB 2.572 32.322 29.762 -0.021 0.000 1.869 83 H HN 0.553 nan 8.280 nan 0.000 0.556 84 I N 2.483 122.846 120.570 -0.345 0.000 2.598 84 I HA 0.077 4.247 4.170 -0.000 0.000 0.277 84 I C -1.259 174.720 176.117 -0.230 0.000 1.179 84 I CA -0.596 60.476 61.300 -0.379 0.000 1.081 84 I CB 0.997 38.882 38.000 -0.192 0.000 1.272 84 I HN 0.748 nan 8.210 nan 0.000 0.471 85 D N 8.042 128.290 120.400 -0.254 0.000 2.570 85 D HA 0.048 4.688 4.640 -0.000 0.000 0.243 85 D C 0.512 176.786 176.300 -0.043 0.000 1.171 85 D CA 0.580 54.541 54.000 -0.065 0.000 0.879 85 D CB 1.103 41.889 40.800 -0.024 0.000 1.143 85 D HN 0.429 nan 8.370 nan 0.000 0.511 86 L N 1.169 122.389 121.223 -0.005 0.000 2.464 86 L HA 0.137 4.477 4.340 -0.000 0.000 0.224 86 L C 1.753 178.630 176.870 0.012 0.000 1.219 86 L CA -0.353 54.489 54.840 0.003 0.000 0.831 86 L CB 0.255 42.329 42.059 0.025 0.000 1.284 86 L HN 0.443 nan 8.230 nan 0.000 0.522 87 A N -0.162 122.668 122.820 0.016 0.000 1.942 87 A HA 0.191 4.511 4.320 -0.000 0.000 0.209 87 A C 0.650 178.251 177.584 0.028 0.000 1.214 87 A CA 0.704 52.753 52.037 0.021 0.000 0.686 87 A CB 0.303 19.311 19.000 0.014 0.000 0.871 87 A HN 0.639 nan 8.150 nan 0.000 0.460 88 K N 0.148 120.567 120.400 0.032 0.000 2.523 88 K HA 0.369 4.689 4.320 -0.000 0.000 0.257 88 K C -3.071 173.562 176.600 0.055 0.000 0.932 88 K CA -2.253 54.058 56.287 0.040 0.000 0.812 88 K CB 2.430 34.948 32.500 0.031 0.000 1.326 88 K HN 0.011 nan 8.250 nan 0.000 0.433 89 P HA -0.071 nan 4.420 nan 0.000 0.263 89 P C -0.591 176.782 177.300 0.122 0.000 1.168 89 P CA 0.043 63.199 63.100 0.095 0.000 0.759 89 P CB 0.497 32.255 31.700 0.096 0.000 0.782 90 V N 3.368 123.375 119.914 0.155 0.000 3.001 90 V HA 0.390 4.510 4.120 -0.000 0.000 0.314 90 V C 0.419 176.731 176.094 0.364 0.000 1.099 90 V CA -0.732 61.691 62.300 0.205 0.000 0.989 90 V CB 1.464 33.373 31.823 0.144 0.000 1.040 90 V HN 0.308 nan 8.190 nan 0.000 0.434 91 F N 0.832 120.818 119.950 0.061 0.000 2.399 91 F HA 0.347 4.874 4.527 -0.000 0.000 0.313 91 F C 0.808 176.683 175.800 0.124 0.000 1.202 91 F CA -0.604 57.444 58.000 0.080 0.000 1.192 91 F CB 0.169 39.211 39.000 0.070 0.000 1.256 91 F HN 0.556 nan 8.300 nan 0.000 0.558 92 H N 1.350 120.473 119.070 0.088 0.000 2.486 92 H HA 0.336 4.892 4.556 -0.000 0.000 0.239 92 H C 0.832 176.089 175.328 -0.119 0.000 1.480 92 H CA -0.509 55.495 56.048 -0.074 0.000 1.324 92 H CB 0.367 29.987 29.762 -0.235 0.000 1.486 92 H HN 0.479 nan 8.280 nan 0.000 0.544 93 V N 2.317 122.265 119.914 0.057 0.000 2.404 93 V HA -0.435 3.685 4.120 -0.000 0.000 0.247 93 V C 2.188 178.202 176.094 -0.133 0.000 1.126 93 V CA 2.323 64.614 62.300 -0.015 0.000 1.096 93 V CB -1.395 30.430 31.823 0.003 0.000 0.919 93 V HN 0.775 nan 8.190 nan 0.000 0.464 94 G N -2.294 106.211 108.800 -0.491 0.000 2.603 94 G HA2 0.104 4.064 3.960 -0.000 0.000 0.214 94 G HA3 0.104 4.064 3.960 -0.000 0.000 0.214 94 G C 1.301 176.084 174.900 -0.195 0.000 1.140 94 G CA 0.493 45.368 45.100 -0.376 0.000 0.800 94 G HN 0.569 nan 8.290 nan 0.000 0.533 95 F N 0.402 120.068 119.950 -0.473 0.000 2.569 95 F HA 0.183 4.710 4.527 -0.000 0.000 0.295 95 F C 2.415 178.121 175.800 -0.156 0.000 1.115 95 F CA -0.442 57.398 58.000 -0.266 0.000 1.450 95 F CB 0.062 38.943 39.000 -0.198 0.000 1.107 95 F HN 0.033 nan 8.300 nan 0.000 0.563 96 I N 0.922 121.534 120.570 0.069 0.000 2.121 96 I HA -0.463 3.707 4.170 -0.000 0.000 0.243 96 I C 2.784 178.944 176.117 0.072 0.000 1.047 96 I CA 1.539 62.877 61.300 0.063 0.000 1.308 96 I CB -0.844 37.276 38.000 0.199 0.000 1.015 96 I HN 0.118 nan 8.210 nan 0.000 0.410 97 A N 0.014 122.881 122.820 0.078 0.000 1.971 97 A HA -0.311 4.008 4.320 -0.000 0.000 0.222 97 A C 2.371 179.985 177.584 0.050 0.000 1.182 97 A CA 2.345 54.419 52.037 0.062 0.000 0.649 97 A CB -0.538 18.486 19.000 0.040 0.000 0.818 97 A HN 0.447 nan 8.150 nan 0.000 0.458 98 K N -1.054 119.364 120.400 0.031 0.000 2.078 98 K HA 0.182 4.502 4.320 -0.000 0.000 0.203 98 K C 1.880 178.551 176.600 0.119 0.000 1.043 98 K CA 0.746 57.056 56.287 0.037 0.000 0.960 98 K CB -0.233 32.207 32.500 -0.100 0.000 0.761 98 K HN 0.470 nan 8.250 nan 0.000 0.448 99 I N 2.098 122.692 120.570 0.040 0.000 2.182 99 I HA -0.434 3.736 4.170 -0.000 0.000 0.248 99 I C 2.567 178.795 176.117 0.184 0.000 1.073 99 I CA 1.503 62.818 61.300 0.025 0.000 1.335 99 I CB -0.428 37.342 38.000 -0.383 0.000 1.031 99 I HN 0.296 nan 8.210 nan 0.000 0.420 100 K N 1.865 122.358 120.400 0.155 0.000 1.964 100 K HA -0.212 4.108 4.320 -0.000 0.000 0.218 100 K C 2.018 178.786 176.600 0.281 0.000 1.043 100 K CA 1.595 58.012 56.287 0.216 0.000 0.966 100 K CB -0.251 32.367 32.500 0.196 0.000 0.739 100 K HN 0.146 nan 8.250 nan 0.000 0.443 101 K N 0.418 120.994 120.400 0.294 0.000 2.259 101 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 101 K C 1.984 178.865 176.600 0.469 0.000 1.044 101 K CA 1.765 58.305 56.287 0.422 0.000 0.931 101 K CB -0.210 32.350 32.500 0.100 0.000 0.726 101 K HN 0.108 nan 8.250 nan 0.000 0.467 102 V N 0.374 120.527 119.914 0.398 0.000 2.323 102 V HA -0.274 3.846 4.120 -0.000 0.000 0.244 102 V C 2.437 178.633 176.094 0.171 0.000 1.041 102 V CA 1.556 64.046 62.300 0.317 0.000 1.025 102 V CB -0.481 31.499 31.823 0.261 0.000 0.656 102 V HN 0.422 nan 8.190 nan 0.000 0.451 103 C N 0.278 119.715 119.300 0.228 0.000 2.413 103 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 103 C C 2.592 177.648 174.990 0.110 0.000 1.248 103 C CA 0.949 60.063 59.018 0.159 0.000 1.742 103 C CB -1.121 26.760 27.740 0.235 0.000 2.017 103 C HN 0.610 nan 8.230 nan 0.000 0.481 104 E N -1.064 119.224 120.200 0.148 0.000 2.463 104 E HA -0.177 4.173 4.350 -0.000 0.000 0.201 104 E C 1.825 178.433 176.600 0.013 0.000 1.045 104 E CA 0.718 57.157 56.400 0.065 0.000 0.872 104 E CB -0.123 29.633 29.700 0.093 0.000 0.797 104 E HN 0.675 nan 8.360 nan 0.000 0.538 105 C N 0.224 119.572 119.300 0.081 0.000 2.674 105 C HA 0.182 4.642 4.460 -0.000 0.000 0.276 105 C C 0.649 175.642 174.990 0.004 0.000 1.300 105 C CA -0.237 58.808 59.018 0.045 0.000 1.732 105 C CB 0.304 28.124 27.740 0.133 0.000 2.076 105 C HN -0.010 nan 8.230 nan 0.000 0.548 106 V N -0.587 119.321 119.914 -0.009 0.000 2.925 106 V HA 0.382 4.502 4.120 -0.000 0.000 0.311 106 V C -0.630 175.458 176.094 -0.010 0.000 1.104 106 V CA -0.771 61.507 62.300 -0.035 0.000 0.954 106 V CB 1.551 33.311 31.823 -0.104 0.000 1.022 106 V HN 0.275 nan 8.190 nan 0.000 0.427 107 C N 5.943 125.248 119.300 0.008 0.000 2.370 107 C HA 0.678 5.138 4.460 -0.000 0.000 0.354 107 C C 0.685 175.695 174.990 0.034 0.000 1.218 107 C CA -0.744 58.302 59.018 0.047 0.000 2.154 107 C CB 0.693 28.485 27.740 0.085 0.000 2.391 107 C HN 0.839 nan 8.230 nan 0.000 0.540 108 M N 4.128 123.736 119.600 0.014 0.000 1.782 108 M HA 0.262 4.742 4.480 -0.000 0.000 0.199 108 M C 1.410 177.637 176.300 -0.121 0.000 1.314 108 M CA 0.752 55.977 55.300 -0.125 0.000 0.877 108 M CB -0.870 31.552 32.600 -0.297 0.000 1.222 108 M HN 0.925 nan 8.290 nan 0.000 0.419 109 H N -1.101 118.002 119.070 0.054 0.000 4.836 109 H HA -0.212 4.344 4.556 -0.000 0.000 0.067 109 H C 1.485 176.793 175.328 -0.034 0.000 0.594 109 H CA 2.355 58.409 56.048 0.010 0.000 0.978 109 H CB -1.593 28.172 29.762 0.005 0.000 0.436 109 H HN 0.883 nan 8.280 nan 0.000 0.790 110 C N 1.996 121.345 119.300 0.082 0.000 3.228 110 C HA 0.679 5.139 4.460 -0.000 0.000 0.290 110 C C 1.450 176.421 174.990 -0.032 0.000 1.301 110 C CA 1.007 60.018 59.018 -0.012 0.000 1.703 110 C CB -0.105 27.635 27.740 0.000 0.000 2.141 110 C HN 1.230 nan 8.230 nan 0.000 0.656 111 G N 2.033 110.829 108.800 -0.007 0.000 2.329 111 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.204 111 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.204 111 G C -0.569 174.304 174.900 -0.045 0.000 0.435 111 G CA 1.093 46.180 45.100 -0.022 0.000 0.977 111 G HN 1.114 nan 8.290 nan 0.000 0.366 112 K N 1.625 121.997 120.400 -0.046 0.000 2.642 112 K HA 0.448 4.768 4.320 -0.000 0.000 0.290 112 K C 0.645 177.223 176.600 -0.038 0.000 1.006 112 K CA -1.259 54.997 56.287 -0.051 0.000 0.869 112 K CB 0.998 33.475 32.500 -0.037 0.000 1.499 112 K HN 0.341 nan 8.250 nan 0.000 0.403 113 L N 2.200 123.402 121.223 -0.035 0.000 2.477 113 L HA -0.083 4.257 4.340 -0.000 0.000 0.289 113 L C 0.709 177.573 176.870 -0.009 0.000 1.279 113 L CA 0.580 55.408 54.840 -0.019 0.000 0.825 113 L CB 0.094 42.146 42.059 -0.012 0.000 1.085 113 L HN 0.556 nan 8.230 nan 0.000 0.548 114 L N 2.482 123.700 121.223 -0.008 0.000 3.168 114 L HA 0.415 4.755 4.340 -0.000 0.000 0.277 114 L C -0.688 176.180 176.870 -0.003 0.000 1.245 114 L CA -0.017 54.820 54.840 -0.006 0.000 1.035 114 L CB 0.097 42.146 42.059 -0.017 0.000 1.399 114 L HN 0.364 nan 8.230 nan 0.000 0.580 115 L N 0.083 121.309 121.223 0.004 0.000 2.905 115 L HA 0.356 4.695 4.340 -0.000 0.000 0.260 115 L C -1.490 175.388 176.870 0.013 0.000 0.933 115 L CA -0.318 54.529 54.840 0.011 0.000 1.034 115 L CB 2.487 44.544 42.059 -0.004 0.000 1.550 115 L HN -0.015 nan 8.230 nan 0.000 0.480 116 D N 1.319 121.739 120.400 0.032 0.000 2.442 116 D HA 0.229 4.869 4.640 -0.000 0.000 0.254 116 D C 0.590 176.841 176.300 -0.083 0.000 1.069 116 D CA -0.527 53.461 54.000 -0.020 0.000 1.017 116 D CB 1.844 42.648 40.800 0.007 0.000 1.172 116 D HN 0.486 nan 8.370 nan 0.000 0.561 117 E N -0.186 119.901 120.200 -0.189 0.000 2.271 117 E HA -0.271 4.078 4.350 -0.000 0.000 0.209 117 E C 1.645 178.148 176.600 -0.161 0.000 1.046 117 E CA 1.553 57.836 56.400 -0.195 0.000 0.840 117 E CB -0.219 29.325 29.700 -0.260 0.000 0.738 117 E HN 0.410 nan 8.360 nan 0.000 0.470 118 H N 0.252 119.318 119.070 -0.005 0.000 2.265 118 H HA -0.108 4.448 4.556 -0.000 0.000 0.293 118 H C 1.120 176.444 175.328 -0.007 0.000 1.089 118 H CA 1.260 57.304 56.048 -0.006 0.000 1.244 118 H CB -0.817 28.940 29.762 -0.008 0.000 1.355 118 H HN 0.150 nan 8.280 nan 0.000 0.485 119 N N 1.899 120.666 118.700 0.111 0.000 2.452 119 N HA -0.098 4.642 4.740 -0.000 0.000 0.266 119 N C 1.207 176.733 175.510 0.026 0.000 1.209 119 N CA 0.252 53.334 53.050 0.053 0.000 0.929 119 N CB 1.028 39.534 38.487 0.032 0.000 1.063 119 N HN 0.460 nan 8.380 nan 0.000 0.472 120 E N 4.065 124.278 120.200 0.022 0.000 2.031 120 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 120 E C 1.548 178.151 176.600 0.006 0.000 0.994 120 E CA 0.990 57.397 56.400 0.012 0.000 0.800 120 E CB 0.019 29.727 29.700 0.013 0.000 0.752 120 E HN 0.700 nan 8.360 nan 0.000 0.447 121 L N 0.396 121.622 121.223 0.004 0.000 2.351 121 L HA -0.218 4.122 4.340 -0.000 0.000 0.220 121 L C 2.576 179.446 176.870 0.000 0.000 1.127 121 L CA 0.687 55.527 54.840 0.000 0.000 0.786 121 L CB -0.374 41.682 42.059 -0.005 0.000 0.914 121 L HN 0.356 nan 8.230 nan 0.000 0.443 122 M N -0.133 119.467 119.600 0.000 0.000 2.160 122 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 122 M C 2.318 178.618 176.300 -0.000 0.000 1.073 122 M CA 1.595 56.894 55.300 -0.001 0.000 1.142 122 M CB -0.191 32.407 32.600 -0.003 0.000 1.358 122 M HN -0.028 nan 8.290 nan 0.000 0.422 123 R N -0.163 120.335 120.500 -0.004 0.000 2.115 123 R HA -0.219 4.120 4.340 -0.000 0.000 0.239 123 R C 2.167 178.470 176.300 0.004 0.000 1.133 123 R CA 2.176 58.273 56.100 -0.005 0.000 0.935 123 R CB -1.035 29.261 30.300 -0.007 0.000 0.853 123 R HN 0.556 nan 8.270 nan 0.000 0.433 124 Q N -0.261 119.543 119.800 0.007 0.000 2.389 124 Q HA -0.177 4.163 4.340 -0.000 0.000 0.213 124 Q C 1.874 177.884 176.000 0.017 0.000 0.989 124 Q CA 1.379 57.189 55.803 0.011 0.000 0.891 124 Q CB -0.051 28.694 28.738 0.011 0.000 0.923 124 Q HN 0.453 nan 8.270 nan 0.000 0.455 125 A N 0.186 123.016 122.820 0.017 0.000 1.924 125 A HA 0.041 4.361 4.320 -0.000 0.000 0.211 125 A C 1.759 179.363 177.584 0.033 0.000 1.198 125 A CA 0.100 52.153 52.037 0.026 0.000 0.657 125 A CB -0.152 18.862 19.000 0.022 0.000 0.852 125 A HN 0.262 nan 8.150 nan 0.000 0.454 126 L N -0.197 121.042 121.223 0.026 0.000 2.700 126 L HA -0.015 4.325 4.340 -0.000 0.000 0.240 126 L C 2.194 179.081 176.870 0.029 0.000 1.162 126 L CA 0.505 55.363 54.840 0.030 0.000 0.874 126 L CB -0.207 41.862 42.059 0.016 0.000 1.001 126 L HN 0.470 nan 8.230 nan 0.000 0.447 127 A N -0.593 122.243 122.820 0.028 0.000 2.108 127 A HA 0.258 4.578 4.320 -0.000 0.000 0.206 127 A C 1.116 178.719 177.584 0.032 0.000 1.212 127 A CA -0.307 51.746 52.037 0.026 0.000 0.843 127 A CB 0.157 19.168 19.000 0.020 0.000 0.902 127 A HN 0.209 nan 8.150 nan 0.000 0.477 128 I N 2.545 123.137 120.570 0.037 0.000 2.849 128 I HA -0.084 4.086 4.170 -0.000 0.000 0.288 128 I C -0.279 175.866 176.117 0.046 0.000 1.156 128 I CA 0.424 61.748 61.300 0.041 0.000 1.394 128 I CB 0.032 38.060 38.000 0.046 0.000 1.462 128 I HN 0.217 nan 8.210 nan 0.000 0.587 129 K N 6.533 126.957 120.400 0.041 0.000 2.237 129 K HA 0.133 4.453 4.320 -0.000 0.000 0.283 129 K C -0.384 176.242 176.600 0.044 0.000 1.080 129 K CA 0.120 56.432 56.287 0.042 0.000 0.965 129 K CB 0.148 32.669 32.500 0.035 0.000 1.098 129 K HN 0.443 nan 8.250 nan 0.000 0.434 130 D N 1.473 121.903 120.400 0.050 0.000 2.885 130 D HA -0.078 4.562 4.640 -0.000 0.000 0.146 130 D C 0.668 177.003 176.300 0.057 0.000 1.085 130 D CA 0.001 54.030 54.000 0.048 0.000 1.587 130 D CB 0.061 40.889 40.800 0.045 0.000 1.317 130 D HN 0.376 nan 8.370 nan 0.000 0.759 131 S N 1.807 117.536 115.700 0.048 0.000 2.444 131 S HA -0.264 4.206 4.470 -0.000 0.000 0.244 131 S C 1.582 176.208 174.600 0.043 0.000 1.025 131 S CA 1.058 59.285 58.200 0.045 0.000 0.995 131 S CB 0.108 63.302 63.200 -0.009 0.000 0.781 131 S HN 0.471 nan 8.310 nan 0.000 0.496 132 K N 0.661 121.079 120.400 0.031 0.000 2.418 132 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 132 K C 1.766 178.417 176.600 0.085 0.000 1.035 132 K CA 0.546 56.851 56.287 0.031 0.000 1.003 132 K CB 0.101 32.604 32.500 0.004 0.000 0.793 132 K HN 0.394 nan 8.250 nan 0.000 0.494 133 K N -0.996 119.461 120.400 0.095 0.000 2.474 133 K HA 0.086 4.406 4.320 -0.000 0.000 0.202 133 K C 1.588 178.257 176.600 0.114 0.000 1.248 133 K CA -0.172 56.172 56.287 0.094 0.000 0.946 133 K CB 0.436 32.974 32.500 0.064 0.000 1.102 133 K HN -0.080 nan 8.250 nan 0.000 0.541 134 R N 0.484 121.059 120.500 0.126 0.000 2.328 134 R HA -0.065 4.275 4.340 -0.000 0.000 0.207 134 R C 1.267 177.682 176.300 0.191 0.000 1.056 134 R CA 0.972 57.150 56.100 0.130 0.000 1.016 134 R CB 0.032 30.405 30.300 0.121 0.000 0.872 134 R HN 0.141 nan 8.270 nan 0.000 0.471 135 F N -0.133 119.850 119.950 0.055 0.000 2.419 135 F HA 0.322 4.849 4.527 -0.000 0.000 0.283 135 F C 1.782 177.641 175.800 0.098 0.000 1.044 135 F CA 0.652 58.697 58.000 0.075 0.000 1.376 135 F CB -0.191 38.831 39.000 0.035 0.000 1.131 135 F HN -0.015 nan 8.300 nan 0.000 0.585 136 A N 0.066 122.950 122.820 0.107 0.000 2.263 136 A HA 0.344 4.664 4.320 -0.000 0.000 0.205 136 A C 1.670 179.293 177.584 0.064 0.000 1.226 136 A CA 1.145 53.193 52.037 0.019 0.000 0.810 136 A CB -1.348 17.689 19.000 0.061 0.000 0.784 136 A HN 0.480 nan 8.150 nan 0.000 0.486 137 A N -0.198 122.644 122.820 0.038 0.000 2.042 137 A HA 0.306 4.626 4.320 -0.000 0.000 0.207 137 A C 1.789 179.383 177.584 0.018 0.000 1.598 137 A CA 0.600 52.665 52.037 0.045 0.000 0.818 137 A CB -0.457 18.571 19.000 0.046 0.000 1.169 137 A HN 0.306 nan 8.150 nan 0.000 0.548 138 I N -1.423 119.141 120.570 -0.011 0.000 2.074 138 I HA -0.365 3.805 4.170 -0.000 0.000 0.238 138 I C 2.452 178.540 176.117 -0.049 0.000 1.037 138 I CA 2.328 63.610 61.300 -0.030 0.000 1.301 138 I CB -0.506 37.480 38.000 -0.024 0.000 1.016 138 I HN 0.720 nan 8.210 nan 0.000 0.400 139 W N 1.927 123.010 121.300 -0.360 0.000 2.290 139 W HA -0.322 4.338 4.660 -0.000 0.000 0.318 139 W C 2.636 179.045 176.519 -0.182 0.000 1.248 139 W CA 2.708 59.851 57.345 -0.337 0.000 1.263 139 W CB -0.712 28.427 29.460 -0.535 0.000 1.147 139 W HN 0.034 nan 8.180 nan 0.000 0.494 140 T N 1.124 115.709 114.554 0.052 0.000 2.946 140 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 140 T C 1.661 176.245 174.700 -0.193 0.000 1.104 140 T CA 1.483 63.513 62.100 -0.116 0.000 1.114 140 T CB -0.312 68.600 68.868 0.072 0.000 0.867 140 T HN 0.214 nan 8.240 nan 0.000 0.513 141 L N -0.452 120.684 121.223 -0.145 0.000 2.554 141 L HA 0.168 4.508 4.340 -0.000 0.000 0.225 141 L C 1.533 178.314 176.870 -0.149 0.000 1.104 141 L CA 0.271 55.038 54.840 -0.120 0.000 0.866 141 L CB 0.141 42.161 42.059 -0.064 0.000 1.047 141 L HN 0.349 nan 8.230 nan 0.000 0.468 142 C N -1.155 118.019 119.300 -0.210 0.000 3.403 142 C HA 0.038 4.498 4.460 -0.000 0.000 0.317 142 C C 2.402 177.226 174.990 -0.277 0.000 1.346 142 C CA -0.528 58.375 59.018 -0.191 0.000 1.743 142 C CB -0.126 27.535 27.740 -0.131 0.000 2.308 142 C HN 0.474 nan 8.230 nan 0.000 0.675 143 K N 1.543 121.652 120.400 -0.484 0.000 2.209 143 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 143 K C 1.414 177.816 176.600 -0.331 0.000 1.048 143 K CA 1.991 57.940 56.287 -0.563 0.000 0.940 143 K CB -0.517 31.363 32.500 -1.034 0.000 0.729 143 K HN 0.327 nan 8.250 nan 0.000 0.451 144 T N 0.792 115.185 114.554 -0.268 0.000 2.852 144 T HA 0.028 4.377 4.350 -0.000 0.000 0.256 144 T C 0.275 174.901 174.700 -0.123 0.000 1.038 144 T CA 0.326 62.321 62.100 -0.174 0.000 1.141 144 T CB 0.075 68.856 68.868 -0.146 0.000 0.869 144 T HN 0.081 nan 8.240 nan 0.000 0.439 145 K N 2.290 122.622 120.400 -0.112 0.000 2.437 145 K HA 0.083 4.403 4.320 -0.000 0.000 0.277 145 K C 0.017 176.579 176.600 -0.062 0.000 1.073 145 K CA 0.618 56.861 56.287 -0.072 0.000 1.105 145 K CB 0.057 32.521 32.500 -0.060 0.000 0.881 145 K HN 0.416 nan 8.250 nan 0.000 0.475 146 M N 2.536 122.111 119.600 -0.042 0.000 2.876 146 M HA 0.148 4.628 4.480 -0.000 0.000 0.367 146 M C -0.864 175.442 176.300 0.011 0.000 1.242 146 M CA -0.266 55.019 55.300 -0.025 0.000 0.889 146 M CB 0.785 33.362 32.600 -0.038 0.000 1.353 146 M HN 0.001 nan 8.290 nan 0.000 0.511 147 V N 0.072 119.995 119.914 0.014 0.000 2.697 147 V HA 0.062 4.182 4.120 -0.000 0.000 0.296 147 V C -0.566 175.543 176.094 0.025 0.000 1.140 147 V CA -1.249 61.069 62.300 0.030 0.000 0.921 147 V CB 2.042 33.876 31.823 0.018 0.000 1.036 147 V HN 0.467 nan 8.190 nan 0.000 0.438 148 C N 6.029 125.354 119.300 0.042 0.000 2.894 148 C HA 0.192 4.652 4.460 -0.000 0.000 0.430 148 C C 1.068 176.069 174.990 0.018 0.000 1.048 148 C CA -0.290 58.748 59.018 0.034 0.000 1.158 148 C CB -1.893 25.880 27.740 0.055 0.000 1.634 148 C HN 0.877 nan 8.230 nan 0.000 0.565 149 E N 2.843 123.048 120.200 0.008 0.000 2.604 149 E HA -0.058 4.292 4.350 -0.000 0.000 0.267 149 E C 1.014 177.610 176.600 -0.006 0.000 0.970 149 E CA 0.533 56.932 56.400 -0.002 0.000 0.956 149 E CB 0.594 30.291 29.700 -0.006 0.000 0.939 149 E HN 0.675 nan 8.360 nan 0.000 0.465 150 T N 1.290 115.835 114.554 -0.015 0.000 3.023 150 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 150 T C -0.308 174.369 174.700 -0.037 0.000 1.050 150 T CA 0.235 62.322 62.100 -0.022 0.000 1.088 150 T CB 0.362 69.217 68.868 -0.022 0.000 0.946 150 T HN 0.398 nan 8.240 nan 0.000 0.480 151 D N 0.750 121.124 120.400 -0.044 0.000 2.947 151 D HA 0.532 5.172 4.640 -0.000 0.000 0.224 151 D C -1.204 175.054 176.300 -0.070 0.000 1.230 151 D CA -0.259 53.701 54.000 -0.067 0.000 0.871 151 D CB 2.988 43.755 40.800 -0.056 0.000 1.671 151 D HN -0.031 nan 8.370 nan 0.000 0.507 152 V N 1.050 120.899 119.914 -0.108 0.000 3.007 152 V HA 0.465 4.585 4.120 -0.000 0.000 0.311 152 V C -2.454 173.580 176.094 -0.100 0.000 1.120 152 V CA -1.818 60.429 62.300 -0.089 0.000 0.980 152 V CB 2.511 34.288 31.823 -0.076 0.000 1.033 152 V HN 0.385 nan 8.190 nan 0.000 0.429 153 P HA 0.138 nan 4.420 nan 0.000 0.273 153 P C 0.332 177.614 177.300 -0.029 0.000 1.319 153 P CA 0.175 63.250 63.100 -0.041 0.000 0.885 153 P CB 0.530 32.217 31.700 -0.022 0.000 1.015 154 S N 3.228 118.904 115.700 -0.041 0.000 2.775 154 S HA -0.093 4.377 4.470 -0.000 0.000 0.250 154 S C 1.176 175.793 174.600 0.028 0.000 1.391 154 S CA -0.109 58.093 58.200 0.003 0.000 0.972 154 S CB -0.201 62.997 63.200 -0.003 0.000 0.963 154 S HN 0.461 nan 8.310 nan 0.000 0.570 155 E N 0.941 121.168 120.200 0.046 0.000 2.515 155 E HA -0.024 4.325 4.350 -0.000 0.000 0.201 155 E C 0.196 176.807 176.600 0.019 0.000 1.071 155 E CA 0.643 57.064 56.400 0.034 0.000 0.880 155 E CB -0.222 29.500 29.700 0.037 0.000 0.828 155 E HN 0.493 nan 8.360 nan 0.000 0.540 156 D N 0.644 121.052 120.400 0.013 0.000 3.132 156 D HA 0.075 4.714 4.640 -0.000 0.000 0.233 156 D C 0.154 176.455 176.300 0.002 0.000 1.216 156 D CA -0.250 53.754 54.000 0.006 0.000 1.227 156 D CB -0.074 40.728 40.800 0.004 0.000 0.930 156 D HN -0.115 nan 8.370 nan 0.000 0.202 157 D N 1.410 121.809 120.400 -0.002 0.000 2.256 157 D HA 0.149 4.789 4.640 -0.000 0.000 0.250 157 D C -1.454 174.841 176.300 -0.008 0.000 1.093 157 D CA -1.290 52.707 54.000 -0.005 0.000 0.882 157 D CB 2.056 42.853 40.800 -0.006 0.000 1.185 157 D HN 0.028 nan 8.370 nan 0.000 0.437 158 P HA -0.051 nan 4.420 nan 0.000 0.237 158 P C 0.980 178.272 177.300 -0.013 0.000 1.178 158 P CA 0.559 63.653 63.100 -0.010 0.000 0.766 158 P CB 0.465 32.161 31.700 -0.007 0.000 0.876 159 T N -0.397 114.150 114.554 -0.011 0.000 2.732 159 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 159 T C 1.058 175.748 174.700 -0.016 0.000 1.040 159 T CA 0.840 62.933 62.100 -0.012 0.000 1.145 159 T CB -0.448 68.415 68.868 -0.009 0.000 0.866 159 T HN 0.283 nan 8.240 nan 0.000 0.427 160 Q N 1.244 121.034 119.800 -0.016 0.000 2.313 160 Q HA 0.407 4.747 4.340 -0.000 0.000 0.266 160 Q C -0.960 175.022 176.000 -0.030 0.000 0.989 160 Q CA 0.103 55.894 55.803 -0.021 0.000 0.890 160 Q CB 0.652 29.379 28.738 -0.018 0.000 1.200 160 Q HN 0.423 nan 8.270 nan 0.000 0.396 161 L N 2.994 124.196 121.223 -0.036 0.000 2.319 161 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 161 L C -0.432 176.400 176.870 -0.064 0.000 1.005 161 L CA -0.925 53.885 54.840 -0.050 0.000 0.828 161 L CB 1.408 43.441 42.059 -0.042 0.000 1.227 161 L HN 0.328 nan 8.230 nan 0.000 0.415 162 V N 1.408 121.263 119.914 -0.097 0.000 2.743 162 V HA 0.455 4.575 4.120 -0.000 0.000 0.301 162 V C 0.476 176.489 176.094 -0.134 0.000 1.057 162 V CA -0.510 61.718 62.300 -0.121 0.000 1.006 162 V CB 1.736 33.450 31.823 -0.181 0.000 1.024 162 V HN 0.896 nan 8.190 nan 0.000 0.473 163 S N 3.805 119.443 115.700 -0.102 0.000 2.501 163 S HA 0.814 5.284 4.470 -0.000 0.000 0.301 163 S C -0.283 174.278 174.600 -0.066 0.000 1.096 163 S CA -0.861 57.292 58.200 -0.078 0.000 1.063 163 S CB 2.322 65.495 63.200 -0.046 0.000 1.042 163 S HN 0.917 nan 8.310 nan 0.000 0.494 164 R N 1.964 122.437 120.500 -0.046 0.000 2.841 164 R HA 0.714 5.054 4.340 -0.000 0.000 0.098 164 R C 0.682 176.982 176.300 0.000 0.000 0.781 164 R CA -0.578 55.522 56.100 -0.001 0.000 0.587 164 R CB -0.478 29.841 30.300 0.032 0.000 0.551 164 R HN 0.690 nan 8.270 nan 0.000 0.341 165 G N -0.356 108.449 108.800 0.008 0.000 2.569 165 G HA2 0.448 4.407 3.960 -0.000 0.000 0.249 165 G HA3 0.448 4.407 3.960 -0.000 0.000 0.249 165 G C -0.490 174.406 174.900 -0.007 0.000 1.216 165 G CA -0.169 44.931 45.100 -0.001 0.000 0.845 165 G HN 0.608 nan 8.290 nan 0.000 0.568 166 G N -2.126 106.668 108.800 -0.011 0.000 2.481 166 G HA2 0.639 4.599 3.960 -0.000 0.000 0.315 166 G HA3 0.639 4.599 3.960 -0.000 0.000 0.315 166 G C -0.200 174.693 174.900 -0.011 0.000 1.231 166 G CA 0.047 45.139 45.100 -0.014 0.000 0.968 166 G HN 2.159 nan 8.290 nan 0.000 0.482 167 C N -0.314 118.977 119.300 -0.015 0.000 3.680 167 C HA 0.080 4.540 4.460 -0.000 0.000 0.360 167 C C 0.976 175.963 174.990 -0.006 0.000 0.907 167 C CA -0.907 58.098 59.018 -0.022 0.000 3.656 167 C CB -1.361 26.371 27.740 -0.014 0.000 1.128 167 C HN 1.815 nan 8.230 nan 0.000 0.603 168 G N 2.285 111.076 108.800 -0.014 0.000 3.155 168 G HA2 0.114 4.074 3.960 -0.000 0.000 0.213 168 G HA3 0.114 4.074 3.960 -0.000 0.000 0.213 168 G C 0.474 175.382 174.900 0.013 0.000 1.196 168 G CA 0.009 45.111 45.100 0.003 0.000 0.846 168 G HN 0.948 nan 8.290 nan 0.000 0.516 169 N N 2.329 121.026 118.700 -0.005 0.000 2.347 169 N HA -0.038 4.702 4.740 -0.000 0.000 0.278 169 N C 0.610 176.195 175.510 0.125 0.000 1.367 169 N CA 0.673 53.721 53.050 -0.004 0.000 0.898 169 N CB 0.356 38.754 38.487 -0.149 0.000 1.203 169 N HN 0.083 nan 8.380 nan 0.000 0.491 170 T N 2.560 117.194 114.554 0.133 0.000 2.870 170 T HA -0.139 4.211 4.350 -0.000 0.000 0.311 170 T C 0.717 175.590 174.700 0.288 0.000 1.052 170 T CA 0.419 62.633 62.100 0.191 0.000 1.131 170 T CB 0.447 69.448 68.868 0.221 0.000 1.082 170 T HN 0.344 nan 8.240 nan 0.000 0.511 171 Q N 3.503 123.405 119.800 0.171 0.000 2.278 171 Q HA 0.310 4.650 4.340 -0.000 0.000 0.257 171 Q C -2.192 173.791 176.000 -0.028 0.000 0.928 171 Q CA -1.934 53.938 55.803 0.115 0.000 0.932 171 Q CB 1.336 30.099 28.738 0.042 0.000 1.221 171 Q HN 0.443 nan 8.270 nan 0.000 0.434 172 P HA 0.115 nan 4.420 nan 0.000 0.290 172 P C -0.610 176.475 177.300 -0.358 0.000 1.276 172 P CA -0.345 62.388 63.100 -0.612 0.000 0.808 172 P CB 1.317 32.061 31.700 -1.593 0.000 0.966 173 T N 3.446 117.830 114.554 -0.284 0.000 2.813 173 T HA 0.391 4.741 4.350 -0.000 0.000 0.297 173 T C 0.641 175.232 174.700 -0.183 0.000 1.036 173 T CA 0.155 62.149 62.100 -0.177 0.000 1.044 173 T CB 0.083 68.872 68.868 -0.131 0.000 0.993 173 T HN 0.277 nan 8.240 nan 0.000 0.535 174 I N 1.066 121.581 120.570 -0.091 0.000 2.865 174 I HA 0.601 4.771 4.170 -0.000 0.000 0.302 174 I C -0.259 175.861 176.117 0.005 0.000 1.140 174 I CA -1.295 59.974 61.300 -0.052 0.000 1.021 174 I CB 2.348 40.347 38.000 -0.002 0.000 1.233 174 I HN 0.618 nan 8.210 nan 0.000 0.427 175 R N 2.356 122.865 120.500 0.015 0.000 2.808 175 R HA 0.595 4.934 4.340 -0.000 0.000 0.272 175 R C -1.294 175.042 176.300 0.060 0.000 0.995 175 R CA -1.127 54.997 56.100 0.039 0.000 0.917 175 R CB 2.259 32.570 30.300 0.019 0.000 1.217 175 R HN 0.490 nan 8.270 nan 0.000 0.471 176 K N 1.655 122.098 120.400 0.072 0.000 2.253 176 K HA 0.115 4.435 4.320 -0.000 0.000 0.277 176 K C -1.225 175.412 176.600 0.062 0.000 1.053 176 K CA -0.430 55.906 56.287 0.083 0.000 0.892 176 K CB 1.029 33.587 32.500 0.096 0.000 1.102 176 K HN 0.646 nan 8.250 nan 0.000 0.469 177 D N 3.950 124.383 120.400 0.055 0.000 2.471 177 D HA 0.268 4.908 4.640 -0.000 0.000 0.245 177 D C 0.588 176.914 176.300 0.042 0.000 1.116 177 D CA 0.540 54.565 54.000 0.041 0.000 0.853 177 D CB 1.366 42.182 40.800 0.027 0.000 1.123 177 D HN 0.876 nan 8.370 nan 0.000 0.540 178 G N 3.594 112.425 108.800 0.050 0.000 2.651 178 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.315 178 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.315 178 G C 0.685 175.625 174.900 0.066 0.000 1.258 178 G CA 0.511 45.647 45.100 0.060 0.000 1.002 178 G HN 0.579 nan 8.290 nan 0.000 0.551 179 L N 0.932 122.187 121.223 0.053 0.000 2.848 179 L HA 0.366 4.705 4.340 -0.000 0.000 0.240 179 L C 0.713 177.526 176.870 -0.095 0.000 1.232 179 L CA 0.136 54.997 54.840 0.035 0.000 1.031 179 L CB -0.272 41.820 42.059 0.055 0.000 1.338 179 L HN 0.258 nan 8.230 nan 0.000 0.509 180 K N 0.957 121.318 120.400 -0.065 0.000 2.435 180 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 180 K C -1.062 175.534 176.600 -0.006 0.000 0.954 180 K CA -0.821 55.383 56.287 -0.137 0.000 0.820 180 K CB 3.236 35.670 32.500 -0.109 0.000 1.292 180 K HN -0.024 nan 8.250 nan 0.000 0.436 181 L N 2.135 123.374 121.223 0.025 0.000 2.295 181 L HA 0.530 4.870 4.340 -0.000 0.000 0.285 181 L C -0.641 176.270 176.870 0.069 0.000 1.035 181 L CA -1.004 53.902 54.840 0.111 0.000 0.806 181 L CB 1.616 43.812 42.059 0.229 0.000 1.214 181 L HN 0.242 nan 8.230 nan 0.000 0.426 182 V N 1.576 121.517 119.914 0.044 0.000 2.876 182 V HA 0.899 5.019 4.120 -0.000 0.000 0.312 182 V C 0.083 176.144 176.094 -0.054 0.000 1.085 182 V CA -0.513 61.795 62.300 0.014 0.000 0.945 182 V CB 2.143 33.975 31.823 0.015 0.000 1.017 182 V HN 0.875 nan 8.190 nan 0.000 0.428 183 G N 1.153 109.867 108.800 -0.144 0.000 2.718 183 G HA2 0.656 4.616 3.960 -0.000 0.000 0.295 183 G HA3 0.656 4.616 3.960 -0.000 0.000 0.295 183 G C -0.891 173.733 174.900 -0.461 0.000 1.421 183 G CA -0.113 44.781 45.100 -0.344 0.000 0.902 183 G HN 0.942 nan 8.290 nan 0.000 0.501 184 S N -0.014 115.440 115.700 -0.409 0.000 2.651 184 S HA 0.771 5.241 4.470 -0.000 0.000 0.291 184 S C -1.055 173.333 174.600 -0.354 0.000 1.141 184 S CA -0.766 57.303 58.200 -0.218 0.000 1.027 184 S CB 1.697 64.852 63.200 -0.076 0.000 1.043 184 S HN 0.583 nan 8.310 nan 0.000 0.530 185 W N 1.923 123.236 121.300 0.022 0.000 2.453 185 W HA 0.445 5.105 4.660 -0.000 0.000 0.310 185 W C 0.035 176.562 176.519 0.014 0.000 1.000 185 W CA -0.672 56.687 57.345 0.023 0.000 1.367 185 W CB 1.679 31.157 29.460 0.030 0.000 1.269 185 W HN 0.787 nan 8.180 nan 0.000 0.418 196 E N 0.526 120.743 120.200 0.027 0.000 7.835 196 E HA -0.101 4.249 4.350 -0.000 0.000 0.463 196 E C -2.680 173.948 176.600 0.047 0.000 0.612 196 E CA -0.651 55.768 56.400 0.031 0.000 1.100 196 E CB -0.096 29.620 29.700 0.027 0.000 0.976 196 E HN 0.207 nan 8.360 nan 0.000 0.262 197 P HA 0.191 nan 4.420 nan 0.000 0.286 197 P C -0.858 176.505 177.300 0.105 0.000 1.293 197 P CA 0.150 63.295 63.100 0.076 0.000 0.770 197 P CB 0.395 32.126 31.700 0.051 0.000 1.206 198 E N -0.067 120.233 120.200 0.166 0.000 2.502 198 E HA 0.299 4.649 4.350 -0.000 0.000 0.261 198 E C -0.962 175.810 176.600 0.286 0.000 0.974 198 E CA -0.299 56.227 56.400 0.211 0.000 0.795 198 E CB 0.758 30.612 29.700 0.256 0.000 1.385 198 E HN 0.316 nan 8.360 nan 0.000 0.400 199 L N 4.215 125.544 121.223 0.176 0.000 2.261 199 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 199 L C 0.231 177.202 176.870 0.169 0.000 1.059 199 L CA -0.440 54.496 54.840 0.160 0.000 0.816 199 L CB 0.175 42.280 42.059 0.078 0.000 1.191 199 L HN 0.334 nan 8.230 nan 0.000 0.431 200 R N 2.159 122.819 120.500 0.266 0.000 2.807 200 R HA 0.731 5.071 4.340 -0.000 0.000 0.276 200 R C -1.369 175.038 176.300 0.179 0.000 0.979 200 R CA -0.879 55.343 56.100 0.204 0.000 0.928 200 R CB 1.760 32.186 30.300 0.210 0.000 1.191 200 R HN 0.185 nan 8.270 nan 0.000 0.471 201 V N 3.464 123.436 119.914 0.098 0.000 2.488 201 V HA 0.164 4.284 4.120 -0.000 0.000 0.277 201 V C 0.417 176.571 176.094 0.100 0.000 1.046 201 V CA -0.530 61.812 62.300 0.069 0.000 0.986 201 V CB 1.001 32.832 31.823 0.013 0.000 0.989 201 V HN 0.578 nan 8.190 nan 0.000 0.475 202 L N 5.649 126.939 121.223 0.112 0.000 2.433 202 L HA 0.199 4.539 4.340 -0.000 0.000 0.284 202 L C 0.906 177.833 176.870 0.094 0.000 1.120 202 L CA 0.047 54.973 54.840 0.143 0.000 0.879 202 L CB 0.725 42.890 42.059 0.177 0.000 1.232 202 L HN 0.874 nan 8.230 nan 0.000 0.454 203 S N 0.904 116.656 115.700 0.087 0.000 2.533 203 S HA 0.056 4.526 4.470 -0.000 0.000 0.282 203 S C 1.267 175.925 174.600 0.098 0.000 1.304 203 S CA -0.591 57.645 58.200 0.060 0.000 1.063 203 S CB 1.262 64.499 63.200 0.062 0.000 0.881 203 S HN 0.638 nan 8.310 nan 0.000 0.493 204 T N 3.329 117.930 114.554 0.079 0.000 2.597 204 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 204 T C 1.507 176.293 174.700 0.144 0.000 1.053 204 T CA 2.255 64.470 62.100 0.192 0.000 1.165 204 T CB -0.791 68.174 68.868 0.161 0.000 0.863 204 T HN 0.879 nan 8.240 nan 0.000 0.427 205 E N 0.675 120.934 120.200 0.098 0.000 2.253 205 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 205 E C 2.169 178.822 176.600 0.088 0.000 1.014 205 E CA 1.293 57.742 56.400 0.081 0.000 0.823 205 E CB -0.134 29.606 29.700 0.067 0.000 0.736 205 E HN 0.607 nan 8.360 nan 0.000 0.478 206 E N 0.124 120.386 120.200 0.103 0.000 2.024 206 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 206 E C 2.110 178.792 176.600 0.136 0.000 0.974 206 E CA 0.380 56.846 56.400 0.112 0.000 0.810 206 E CB 0.139 29.908 29.700 0.115 0.000 0.775 206 E HN 0.087 nan 8.360 nan 0.000 0.453 207 I N 1.969 122.631 120.570 0.154 0.000 2.074 207 I HA -0.379 3.791 4.170 -0.000 0.000 0.238 207 I C 2.698 178.876 176.117 0.102 0.000 1.037 207 I CA 1.410 62.803 61.300 0.156 0.000 1.301 207 I CB -1.486 36.550 38.000 0.060 0.000 1.016 207 I HN 0.359 nan 8.210 nan 0.000 0.400 208 L N 0.508 121.723 121.223 -0.012 0.000 2.026 208 L HA -0.376 3.964 4.340 -0.000 0.000 0.231 208 L C 2.638 179.568 176.870 0.099 0.000 1.095 208 L CA 2.205 57.030 54.840 -0.025 0.000 0.810 208 L CB -0.540 41.527 42.059 0.014 0.000 0.909 208 L HN 0.431 nan 8.230 nan 0.000 0.444 209 N N 0.209 118.972 118.700 0.105 0.000 2.020 209 N HA -0.283 4.457 4.740 -0.000 0.000 0.200 209 N C 1.777 177.403 175.510 0.194 0.000 1.054 209 N CA 2.552 55.669 53.050 0.112 0.000 0.874 209 N CB -0.498 38.070 38.487 0.136 0.000 1.075 209 N HN 0.405 nan 8.380 nan 0.000 0.446 210 I N 0.223 120.942 120.570 0.247 0.000 2.285 210 I HA -0.320 3.850 4.170 -0.000 0.000 0.253 210 I C 1.943 178.187 176.117 0.212 0.000 1.104 210 I CA 1.255 62.694 61.300 0.232 0.000 1.372 210 I CB -0.426 37.700 38.000 0.209 0.000 1.057 210 I HN 0.080 nan 8.210 nan 0.000 0.431 211 F N 0.868 120.831 119.950 0.023 0.000 2.118 211 F HA -0.080 4.447 4.527 -0.000 0.000 0.293 211 F C 2.514 178.312 175.800 -0.003 0.000 1.102 211 F CA 1.177 59.175 58.000 -0.003 0.000 1.247 211 F CB -0.740 38.230 39.000 -0.050 0.000 1.017 211 F HN -0.165 nan 8.300 nan 0.000 0.475 212 K N -0.621 119.862 120.400 0.138 0.000 2.127 212 K HA -0.234 4.085 4.320 -0.000 0.000 0.208 212 K C 1.948 178.492 176.600 -0.094 0.000 1.047 212 K CA 1.664 57.928 56.287 -0.038 0.000 0.927 212 K CB -0.286 32.115 32.500 -0.164 0.000 0.716 212 K HN 0.323 nan 8.250 nan 0.000 0.450 213 H N 0.014 119.094 119.070 0.017 0.000 2.502 213 H HA 0.091 4.647 4.556 -0.000 0.000 0.283 213 H C 0.677 175.936 175.328 -0.115 0.000 1.015 213 H CA 0.321 56.345 56.048 -0.040 0.000 1.298 213 H CB -0.077 29.673 29.762 -0.020 0.000 1.411 213 H HN 0.109 nan 8.280 nan 0.000 0.556 214 I N 2.168 122.724 120.570 -0.023 0.000 2.948 214 I HA -0.167 4.003 4.170 -0.000 0.000 0.303 214 I C 1.186 177.057 176.117 -0.410 0.000 1.224 214 I CA 0.348 61.544 61.300 -0.175 0.000 1.442 214 I CB 0.373 38.274 38.000 -0.165 0.000 1.328 214 I HN 0.161 nan 8.210 nan 0.000 0.578 215 S N 4.942 120.414 115.700 -0.380 0.000 2.585 215 S HA 0.140 4.610 4.470 -0.000 0.000 0.273 215 S C 1.089 175.254 174.600 -0.726 0.000 1.339 215 S CA -0.925 57.013 58.200 -0.436 0.000 1.028 215 S CB 1.577 64.635 63.200 -0.236 0.000 0.906 215 S HN 0.384 nan 8.310 nan 0.000 0.528 216 V N 3.499 123.059 119.914 -0.589 0.000 2.287 216 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 216 V C 2.520 178.485 176.094 -0.216 0.000 1.053 216 V CA 2.053 64.060 62.300 -0.488 0.000 1.027 216 V CB -0.912 30.788 31.823 -0.205 0.000 0.646 216 V HN 0.905 nan 8.190 nan 0.000 0.447 217 K N -0.485 119.827 120.400 -0.146 0.000 2.432 217 K HA -0.075 4.244 4.320 -0.000 0.000 0.196 217 K C 1.584 178.163 176.600 -0.036 0.000 1.038 217 K CA 0.710 56.967 56.287 -0.051 0.000 0.986 217 K CB -0.087 32.387 32.500 -0.044 0.000 0.782 217 K HN 0.494 nan 8.250 nan 0.000 0.485 218 D N 0.367 120.700 120.400 -0.112 0.000 2.162 218 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 218 D C 1.639 177.971 176.300 0.054 0.000 0.964 218 D CA 0.687 54.649 54.000 -0.064 0.000 0.847 218 D CB -0.083 40.631 40.800 -0.142 0.000 0.988 218 D HN 0.085 nan 8.370 nan 0.000 0.480 219 F N 1.558 121.461 119.950 -0.078 0.000 2.005 219 F HA -0.302 4.225 4.527 -0.000 0.000 0.297 219 F C 2.741 178.583 175.800 0.070 0.000 1.175 219 F CA 1.224 59.168 58.000 -0.094 0.000 1.192 219 F CB -0.774 38.191 39.000 -0.058 0.000 0.953 219 F HN -0.060 nan 8.300 nan 0.000 0.504 220 T N 0.230 114.992 114.554 0.347 0.000 2.653 220 T HA -0.310 4.040 4.350 -0.000 0.000 0.267 220 T C 1.957 176.771 174.700 0.190 0.000 1.037 220 T CA 2.146 64.385 62.100 0.232 0.000 1.159 220 T CB -0.807 68.155 68.868 0.156 0.000 0.859 220 T HN 0.421 nan 8.240 nan 0.000 0.449 221 S N 1.351 117.140 115.700 0.149 0.000 2.380 221 S HA -0.061 4.408 4.470 -0.000 0.000 0.229 221 S C 1.002 175.721 174.600 0.199 0.000 1.043 221 S CA 0.764 59.042 58.200 0.130 0.000 1.038 221 S CB -0.758 62.493 63.200 0.085 0.000 0.872 221 S HN 0.423 nan 8.310 nan 0.000 0.456 222 L N 1.473 122.857 121.223 0.268 0.000 2.399 222 L HA 0.455 4.795 4.340 -0.000 0.000 0.266 222 L C 1.132 178.242 176.870 0.401 0.000 1.114 222 L CA -0.462 54.633 54.840 0.426 0.000 0.804 222 L CB 0.285 42.618 42.059 0.457 0.000 1.146 222 L HN 0.323 nan 8.230 nan 0.000 0.451 223 G N 1.980 110.941 108.800 0.267 0.000 2.726 223 G HA2 0.222 4.181 3.960 -0.000 0.000 0.283 223 G HA3 0.222 4.181 3.960 -0.000 0.000 0.283 223 G C -0.590 174.181 174.900 -0.215 0.000 0.689 223 G CA 0.164 45.251 45.100 -0.021 0.000 2.087 223 G HN 0.250 nan 8.290 nan 0.000 0.546 224 F N -0.335 119.595 119.950 -0.034 0.000 2.980 224 F HA 0.571 5.098 4.527 -0.000 0.000 0.335 224 F C -0.029 175.769 175.800 -0.003 0.000 1.210 224 F CA -1.359 56.608 58.000 -0.055 0.000 0.986 224 F CB 2.210 41.145 39.000 -0.109 0.000 1.469 224 F HN 0.250 nan 8.300 nan 0.000 0.519 225 N N 0.023 118.855 118.700 0.220 0.000 2.599 225 N HA 0.115 4.855 4.740 -0.000 0.000 0.283 225 N C 0.111 175.692 175.510 0.119 0.000 1.160 225 N CA -0.150 52.982 53.050 0.136 0.000 0.869 225 N CB 1.149 39.697 38.487 0.101 0.000 1.448 225 N HN 0.670 nan 8.380 nan 0.000 0.535 226 E N 1.836 122.119 120.200 0.138 0.000 2.236 226 E HA -0.244 4.106 4.350 -0.000 0.000 0.205 226 E C 0.434 177.117 176.600 0.138 0.000 1.028 226 E CA 1.891 58.394 56.400 0.172 0.000 0.827 226 E CB 0.261 30.063 29.700 0.170 0.000 0.735 226 E HN 0.494 nan 8.360 nan 0.000 0.470 227 V N -0.992 118.930 119.914 0.013 0.000 2.922 227 V HA -0.007 4.113 4.120 -0.000 0.000 0.242 227 V C 1.700 177.906 176.094 0.187 0.000 1.094 227 V CA 0.894 63.179 62.300 -0.025 0.000 1.106 227 V CB -0.242 31.314 31.823 -0.444 0.000 0.799 227 V HN 0.250 nan 8.190 nan 0.000 0.474 228 F N 0.767 120.812 119.950 0.158 0.000 2.622 228 F HA 0.205 4.732 4.527 -0.000 0.000 0.288 228 F C 1.010 176.878 175.800 0.113 0.000 1.120 228 F CA 0.441 58.477 58.000 0.059 0.000 1.423 228 F CB 0.563 39.569 39.000 0.010 0.000 1.127 228 F HN 0.254 nan 8.300 nan 0.000 0.588 229 S N 0.549 116.528 115.700 0.464 0.000 2.423 229 S HA 0.445 4.915 4.470 -0.000 0.000 0.213 229 S C -0.905 173.980 174.600 0.476 0.000 1.131 229 S CA -0.862 57.638 58.200 0.499 0.000 1.155 229 S CB 0.767 64.107 63.200 0.232 0.000 1.202 229 S HN 0.090 nan 8.310 nan 0.000 0.441 230 R N 2.783 123.535 120.500 0.420 0.000 2.368 230 R HA 0.404 4.744 4.340 -0.000 0.000 0.302 230 R C -2.017 174.104 176.300 -0.298 0.000 1.002 230 R CA -2.314 53.429 56.100 -0.596 0.000 0.929 230 R CB 0.726 30.218 30.300 -1.347 0.000 1.073 230 R HN 0.289 nan 8.270 nan 0.000 0.464 231 P HA -0.301 nan 4.420 nan 0.000 0.218 231 P C 0.697 178.018 177.300 0.035 0.000 1.154 231 P CA 1.450 64.436 63.100 -0.189 0.000 0.872 231 P CB 0.073 31.521 31.700 -0.419 0.000 0.790 232 E N -1.734 118.407 120.200 -0.099 0.000 2.448 232 E HA -0.216 4.134 4.350 -0.000 0.000 0.203 232 E C 1.001 177.544 176.600 -0.095 0.000 1.046 232 E CA 0.841 57.164 56.400 -0.127 0.000 0.871 232 E CB -0.875 28.685 29.700 -0.233 0.000 0.790 232 E HN 0.385 nan 8.360 nan 0.000 0.545 233 W N 0.087 121.407 121.300 0.033 0.000 3.107 233 W HA 0.322 4.982 4.660 -0.000 0.000 0.293 233 W C 1.706 178.291 176.519 0.109 0.000 1.239 233 W CA -0.229 57.158 57.345 0.071 0.000 1.653 233 W CB -0.175 29.346 29.460 0.100 0.000 1.068 233 W HN 0.109 nan 8.180 nan 0.000 0.615 234 M N -0.066 119.721 119.600 0.312 0.000 2.549 234 M HA -0.029 4.451 4.480 -0.000 0.000 0.260 234 M C 0.395 176.816 176.300 0.200 0.000 1.076 234 M CA 1.242 56.775 55.300 0.388 0.000 1.090 234 M CB -0.145 32.563 32.600 0.180 0.000 1.418 234 M HN -0.340 nan 8.290 nan 0.000 0.486 235 I N 1.712 122.327 120.570 0.075 0.000 2.330 235 I HA 0.226 4.395 4.170 -0.000 0.000 0.289 235 I C -0.376 175.801 176.117 0.100 0.000 1.001 235 I CA -0.655 60.663 61.300 0.031 0.000 1.193 235 I CB 1.146 39.105 38.000 -0.067 0.000 1.345 235 I HN 0.042 nan 8.210 nan 0.000 0.461 236 L N 6.057 127.334 121.223 0.091 0.000 2.416 236 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 236 L C 0.642 177.565 176.870 0.089 0.000 1.161 236 L CA 0.021 54.905 54.840 0.074 0.000 0.845 236 L CB 0.421 42.499 42.059 0.033 0.000 1.119 236 L HN 0.645 nan 8.230 nan 0.000 0.464 237 T N -0.393 114.215 114.554 0.090 0.000 3.098 237 T HA 0.069 4.419 4.350 -0.000 0.000 0.256 237 T C -0.114 174.630 174.700 0.073 0.000 0.921 237 T CA 0.025 62.176 62.100 0.086 0.000 0.916 237 T CB 0.453 69.383 68.868 0.103 0.000 1.246 237 T HN 0.658 nan 8.240 nan 0.000 0.511 238 C N 2.334 121.678 119.300 0.074 0.000 2.431 238 C HA 0.825 5.285 4.460 -0.000 0.000 0.321 238 C C -1.424 173.591 174.990 0.041 0.000 1.202 238 C CA -1.076 57.986 59.018 0.074 0.000 1.398 238 C CB 0.058 27.862 27.740 0.107 0.000 2.047 238 C HN 0.434 nan 8.230 nan 0.000 0.465 239 L N 9.051 130.290 121.223 0.027 0.000 2.287 239 L HA 0.615 4.955 4.340 -0.000 0.000 0.287 239 L C -1.960 174.934 176.870 0.040 0.000 1.022 239 L CA -1.605 53.248 54.840 0.021 0.000 0.814 239 L CB 1.730 43.785 42.059 -0.007 0.000 1.217 239 L HN 0.540 nan 8.230 nan 0.000 0.420 240 P HA 0.061 nan 4.420 nan 0.000 0.271 240 P C -1.010 176.350 177.300 0.101 0.000 1.218 240 P CA -0.112 63.080 63.100 0.154 0.000 0.780 240 P CB 1.126 32.975 31.700 0.248 0.000 0.901 241 V N 4.516 124.417 119.914 -0.022 0.000 2.276 241 V HA 0.187 4.307 4.120 -0.000 0.000 0.268 241 V C -1.972 173.831 176.094 -0.486 0.000 1.032 241 V CA -2.040 60.156 62.300 -0.173 0.000 0.810 241 V CB 0.760 32.516 31.823 -0.111 0.000 1.060 241 V HN 0.554 nan 8.190 nan 0.000 0.446 242 P HA -0.002 nan 4.420 nan 0.000 0.259 242 P C -2.481 174.541 177.300 -0.463 0.000 1.155 242 P CA -0.293 62.322 63.100 -0.808 0.000 0.759 242 P CB -0.025 31.496 31.700 -0.299 0.000 0.753 243 P HA 0.113 nan 4.420 nan 0.000 0.278 243 P C -1.671 175.552 177.300 -0.127 0.000 1.238 243 P CA -1.682 61.298 63.100 -0.199 0.000 0.794 243 P CB -0.073 31.547 31.700 -0.133 0.000 0.955 244 P HA -0.245 nan 4.420 nan 0.000 0.221 244 P C -1.190 176.068 177.300 -0.069 0.000 0.967 244 P CA 2.911 65.969 63.100 -0.070 0.000 1.038 244 P CB -2.565 29.104 31.700 -0.051 0.000 0.731 245 P HA -0.134 nan 4.420 nan 0.000 0.219 245 P C 1.639 178.910 177.300 -0.047 0.000 1.147 245 P CA 1.269 64.338 63.100 -0.051 0.000 0.821 245 P CB -0.471 31.201 31.700 -0.047 0.000 0.771 246 V N -0.763 119.118 119.914 -0.055 0.000 2.725 246 V HA -0.057 4.063 4.120 -0.000 0.000 0.247 246 V C 1.451 177.514 176.094 -0.050 0.000 1.058 246 V CA 1.270 63.544 62.300 -0.044 0.000 1.080 246 V CB -0.770 31.023 31.823 -0.050 0.000 0.713 246 V HN 0.234 nan 8.190 nan 0.000 0.465 247 R N 1.035 121.497 120.500 -0.064 0.000 2.738 247 R HA 0.355 4.695 4.340 -0.000 0.000 0.280 247 R C -3.005 173.245 176.300 -0.084 0.000 1.456 247 R CA -1.358 54.699 56.100 -0.071 0.000 1.612 247 R CB 0.323 30.584 30.300 -0.065 0.000 1.286 247 R HN 0.238 nan 8.270 nan 0.000 0.660 248 P HA 0.032 nan 4.420 nan 0.000 0.275 248 P C -0.035 177.203 177.300 -0.103 0.000 1.270 248 P CA -0.029 63.021 63.100 -0.082 0.000 0.791 248 P CB 1.158 32.815 31.700 -0.072 0.000 1.089 249 S N -0.180 115.455 115.700 -0.109 0.000 2.430 249 S HA 0.626 5.096 4.470 -0.000 0.000 0.246 249 S C 0.271 174.775 174.600 -0.160 0.000 1.155 249 S CA -0.611 57.508 58.200 -0.134 0.000 1.054 249 S CB 0.062 63.185 63.200 -0.128 0.000 1.154 249 S HN 0.487 nan 8.310 nan 0.000 0.482 250 I N 1.278 121.707 120.570 -0.234 0.000 2.693 250 I HA 0.119 4.288 4.170 -0.000 0.000 0.271 250 I C -1.237 174.487 176.117 -0.656 0.000 1.408 250 I CA -0.262 60.826 61.300 -0.353 0.000 1.179 250 I CB 1.661 39.487 38.000 -0.290 0.000 1.497 250 I HN 0.708 nan 8.210 nan 0.000 0.434 251 S N 4.411 119.796 115.700 -0.526 0.000 2.541 251 S HA 0.659 5.128 4.470 -0.000 0.000 0.283 251 S C -0.471 173.756 174.600 -0.622 0.000 1.196 251 S CA -0.551 57.317 58.200 -0.553 0.000 1.062 251 S CB 0.958 64.016 63.200 -0.236 0.000 1.009 251 S HN 0.379 nan 8.310 nan 0.000 0.502 252 F N 2.657 122.605 119.950 -0.004 0.000 2.578 252 F HA 0.388 4.915 4.527 -0.000 0.000 0.314 252 F C 0.967 176.766 175.800 -0.001 0.000 1.225 252 F CA -0.789 57.210 58.000 -0.002 0.000 1.215 252 F CB -0.864 38.136 39.000 -0.000 0.000 1.448 252 F HN 0.614 nan 8.300 nan 0.000 0.548 253 N N 0.242 118.968 118.700 0.043 0.000 3.988 253 N HA -0.264 4.476 4.740 -0.000 0.000 0.229 253 N C 0.716 176.235 175.510 0.015 0.000 0.276 253 N CA 1.973 55.040 53.050 0.028 0.000 2.813 253 N CB -0.594 37.925 38.487 0.054 0.000 1.426 253 N HN 0.504 nan 8.380 nan 0.000 0.322 254 E N 0.109 120.336 120.200 0.044 0.000 4.286 254 E HA 0.265 4.615 4.350 -0.000 0.000 0.240 254 E C -0.206 176.428 176.600 0.056 0.000 1.038 254 E CA 0.235 56.655 56.400 0.033 0.000 1.074 254 E CB 0.014 29.728 29.700 0.024 0.000 2.386 254 E HN 0.370 nan 8.360 nan 0.000 0.487 255 S N 1.593 117.323 115.700 0.050 0.000 3.185 255 S HA -0.119 4.351 4.470 -0.000 0.000 0.242 255 S C -0.011 174.637 174.600 0.080 0.000 0.824 255 S CA 0.586 58.819 58.200 0.053 0.000 1.754 255 S CB -0.694 62.529 63.200 0.037 0.000 1.443 255 S HN 0.286 nan 8.310 nan 0.000 0.617 256 Q N 0.484 120.351 119.800 0.113 0.000 2.728 256 Q HA 0.538 4.878 4.340 -0.000 0.000 0.378 256 Q C 0.239 176.344 176.000 0.175 0.000 0.670 256 Q CA -1.212 54.695 55.803 0.172 0.000 0.915 256 Q CB 1.024 29.950 28.738 0.314 0.000 1.128 256 Q HN 0.418 nan 8.270 nan 0.000 0.483 257 R N -1.223 119.439 120.500 0.269 0.000 2.642 257 R HA 0.625 4.965 4.340 -0.000 0.000 0.103 257 R C -0.141 176.241 176.300 0.136 0.000 1.144 257 R CA 0.049 56.262 56.100 0.188 0.000 0.955 257 R CB 0.329 30.744 30.300 0.193 0.000 0.817 257 R HN 0.797 nan 8.270 nan 0.000 0.381 258 G N 1.178 110.083 108.800 0.175 0.000 2.148 258 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.157 258 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.157 258 G C -0.396 174.462 174.900 -0.069 0.000 1.012 258 G CA -0.490 44.623 45.100 0.022 0.000 0.677 258 G HN 0.182 nan 8.290 nan 0.000 0.506 259 E N 1.114 121.268 120.200 -0.077 0.000 2.415 259 E HA 0.195 4.545 4.350 -0.000 0.000 0.262 259 E C 0.092 176.461 176.600 -0.386 0.000 1.038 259 E CA -0.143 56.115 56.400 -0.238 0.000 0.921 259 E CB 0.859 30.391 29.700 -0.281 0.000 0.950 259 E HN 0.384 nan 8.360 nan 0.000 0.438 260 D N 1.336 121.522 120.400 -0.357 0.000 2.304 260 D HA -0.012 4.628 4.640 -0.000 0.000 0.247 260 D C 0.315 176.355 176.300 -0.433 0.000 1.089 260 D CA -0.286 53.532 54.000 -0.303 0.000 0.910 260 D CB 0.915 41.605 40.800 -0.183 0.000 1.199 260 D HN 0.195 nan 8.370 nan 0.000 0.426 261 D N 2.014 122.250 120.400 -0.273 0.000 2.126 261 D HA -0.198 4.442 4.640 -0.000 0.000 0.190 261 D C 1.973 178.214 176.300 -0.099 0.000 1.001 261 D CA 1.298 55.191 54.000 -0.178 0.000 0.841 261 D CB 0.024 40.795 40.800 -0.048 0.000 0.949 261 D HN 0.389 nan 8.370 nan 0.000 0.446 262 L N 0.248 121.437 121.223 -0.055 0.000 1.971 262 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 262 L C 2.280 179.167 176.870 0.028 0.000 1.072 262 L CA 1.600 56.465 54.840 0.042 0.000 0.758 262 L CB -0.918 41.171 42.059 0.049 0.000 0.889 262 L HN 0.101 nan 8.230 nan 0.000 0.433 263 T N -0.431 114.082 114.554 -0.068 0.000 3.070 263 T HA -0.196 4.154 4.350 -0.000 0.000 0.270 263 T C 1.348 176.125 174.700 0.128 0.000 1.175 263 T CA 1.194 63.269 62.100 -0.041 0.000 1.073 263 T CB -0.348 68.448 68.868 -0.120 0.000 0.840 263 T HN 0.269 nan 8.240 nan 0.000 0.576 264 F N 0.296 120.235 119.950 -0.018 0.000 2.399 264 F HA 0.141 4.668 4.527 -0.000 0.000 0.282 264 F C 2.188 177.945 175.800 -0.071 0.000 1.027 264 F CA -0.186 57.795 58.000 -0.032 0.000 1.333 264 F CB 0.143 39.131 39.000 -0.019 0.000 1.132 264 F HN -0.099 nan 8.300 nan 0.000 0.590 265 K N 1.029 121.512 120.400 0.139 0.000 2.281 265 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 265 K C 1.692 178.218 176.600 -0.124 0.000 1.046 265 K CA 0.905 57.174 56.287 -0.031 0.000 0.938 265 K CB -0.460 32.071 32.500 0.051 0.000 0.737 265 K HN 0.287 nan 8.250 nan 0.000 0.458 266 L N -0.694 120.467 121.223 -0.103 0.000 2.068 266 L HA -0.061 4.279 4.340 -0.000 0.000 0.204 266 L C 2.355 179.183 176.870 -0.071 0.000 1.076 266 L CA 1.070 55.801 54.840 -0.182 0.000 0.753 266 L CB -0.700 41.263 42.059 -0.160 0.000 0.910 266 L HN 0.175 nan 8.230 nan 0.000 0.439 267 A N 0.183 123.011 122.820 0.012 0.000 1.903 267 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 267 A C 1.912 179.495 177.584 -0.001 0.000 1.191 267 A CA 2.285 54.340 52.037 0.030 0.000 0.638 267 A CB -0.654 18.396 19.000 0.083 0.000 0.823 267 A HN 0.387 nan 8.150 nan 0.000 0.451 268 D N -0.138 120.242 120.400 -0.033 0.000 2.106 268 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 268 D C 1.941 178.315 176.300 0.124 0.000 0.988 268 D CA 1.486 55.477 54.000 -0.014 0.000 0.845 268 D CB -0.563 40.024 40.800 -0.355 0.000 0.990 268 D HN 0.457 nan 8.370 nan 0.000 0.448 269 I N 0.629 121.250 120.570 0.086 0.000 2.182 269 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 269 I C 2.416 178.564 176.117 0.051 0.000 1.073 269 I CA 0.739 62.107 61.300 0.113 0.000 1.335 269 I CB -0.247 37.726 38.000 -0.045 0.000 1.031 269 I HN 0.094 nan 8.210 nan 0.000 0.420 270 L N 0.891 122.115 121.223 0.002 0.000 1.970 270 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 270 L C 2.431 179.305 176.870 0.007 0.000 1.071 270 L CA 1.941 56.775 54.840 -0.011 0.000 0.751 270 L CB -0.959 41.090 42.059 -0.016 0.000 0.889 270 L HN 0.128 nan 8.230 nan 0.000 0.432 271 K N -0.555 119.859 120.400 0.024 0.000 2.001 271 K HA -0.258 4.062 4.320 -0.000 0.000 0.223 271 K C 1.926 178.540 176.600 0.023 0.000 1.055 271 K CA 2.060 58.361 56.287 0.022 0.000 0.965 271 K CB -0.722 31.801 32.500 0.038 0.000 0.730 271 K HN 0.476 nan 8.250 nan 0.000 0.449 272 A N 1.179 124.032 122.820 0.056 0.000 2.139 272 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 272 A C 1.805 179.393 177.584 0.007 0.000 1.159 272 A CA 2.116 54.166 52.037 0.023 0.000 0.662 272 A CB -0.685 18.326 19.000 0.018 0.000 0.796 272 A HN 0.433 nan 8.150 nan 0.000 0.463 273 N N -0.395 118.310 118.700 0.009 0.000 2.278 273 N HA 0.044 4.784 4.740 -0.000 0.000 0.181 273 N C 1.489 176.991 175.510 -0.014 0.000 1.023 273 N CA 1.213 54.261 53.050 -0.004 0.000 0.862 273 N CB -0.221 38.257 38.487 -0.014 0.000 1.003 273 N HN 0.436 nan 8.380 nan 0.000 0.431 274 I N 0.348 120.904 120.570 -0.024 0.000 2.202 274 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 274 I C 2.401 178.505 176.117 -0.021 0.000 1.091 274 I CA 1.249 62.529 61.300 -0.033 0.000 1.368 274 I CB -0.662 37.305 38.000 -0.054 0.000 1.058 274 I HN 0.289 nan 8.210 nan 0.000 0.410 275 S N 1.703 117.392 115.700 -0.018 0.000 2.372 275 S HA -0.278 4.192 4.470 -0.000 0.000 0.227 275 S C 2.024 176.616 174.600 -0.014 0.000 1.044 275 S CA 1.598 59.788 58.200 -0.017 0.000 1.050 275 S CB -0.974 62.215 63.200 -0.018 0.000 0.901 275 S HN 0.354 nan 8.310 nan 0.000 0.447 276 L N 2.021 123.236 121.223 -0.013 0.000 1.924 276 L HA -0.106 4.234 4.340 -0.000 0.000 0.222 276 L C 2.647 179.515 176.870 -0.004 0.000 1.081 276 L CA 2.741 57.574 54.840 -0.012 0.000 0.780 276 L CB -1.335 40.719 42.059 -0.008 0.000 0.891 276 L HN 0.589 nan 8.230 nan 0.000 0.434 277 E N -1.131 119.075 120.200 0.010 0.000 2.132 277 E HA -0.355 3.995 4.350 -0.000 0.000 0.218 277 E C 1.699 178.343 176.600 0.074 0.000 1.058 277 E CA 2.588 59.017 56.400 0.049 0.000 0.882 277 E CB -0.433 29.299 29.700 0.053 0.000 0.774 277 E HN 0.651 nan 8.360 nan 0.000 0.467 278 T N 0.914 115.492 114.554 0.041 0.000 3.118 278 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 278 T C 1.455 176.169 174.700 0.024 0.000 1.166 278 T CA 0.656 62.779 62.100 0.038 0.000 1.073 278 T CB -0.082 68.787 68.868 0.003 0.000 0.884 278 T HN 0.215 nan 8.240 nan 0.000 0.550 279 L N -0.252 120.972 121.223 0.002 0.000 2.425 279 L HA 0.214 4.554 4.340 -0.000 0.000 0.215 279 L C 2.059 178.888 176.870 -0.067 0.000 1.065 279 L CA 0.581 55.403 54.840 -0.030 0.000 0.842 279 L CB -0.072 41.966 42.059 -0.036 0.000 1.033 279 L HN 0.224 nan 8.230 nan 0.000 0.474 280 E N -0.557 119.583 120.200 -0.100 0.000 2.494 280 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 280 E C 0.591 176.946 176.600 -0.407 0.000 1.074 280 E CA 0.290 56.550 56.400 -0.232 0.000 0.867 280 E CB 0.254 29.796 29.700 -0.263 0.000 0.924 280 E HN 0.464 nan 8.360 nan 0.000 0.502 281 H N -1.062 117.985 119.070 -0.038 0.000 3.230 281 H HA 0.295 4.851 4.556 -0.000 0.000 0.259 281 H C 0.153 175.458 175.328 -0.039 0.000 1.195 281 H CA -0.125 55.903 56.048 -0.035 0.000 1.112 281 H CB 0.720 30.465 29.762 -0.029 0.000 1.638 281 H HN 0.019 nan 8.280 nan 0.000 0.624 282 N N -0.354 118.365 118.700 0.033 0.000 3.455 282 N HA 0.185 4.925 4.740 -0.000 0.000 0.358 282 N C 0.412 175.898 175.510 -0.040 0.000 1.580 282 N CA -0.360 52.692 53.050 0.002 0.000 0.692 282 N CB 0.689 39.178 38.487 0.003 0.000 1.978 282 N HN 0.134 nan 8.380 nan 0.000 0.651 283 G N 0.288 109.063 108.800 -0.042 0.000 2.472 283 G HA2 0.330 4.290 3.960 -0.000 0.000 0.291 283 G HA3 0.330 4.290 3.960 -0.000 0.000 0.291 283 G C -0.146 174.702 174.900 -0.087 0.000 0.898 283 G CA 0.035 45.097 45.100 -0.063 0.000 1.645 283 G HN 0.519 nan 8.290 nan 0.000 0.459 284 A N 5.657 128.397 122.820 -0.133 0.000 2.798 284 A HA 0.535 4.855 4.320 -0.000 0.000 0.316 284 A C -1.366 176.072 177.584 -0.244 0.000 1.506 284 A CA -1.415 50.518 52.037 -0.174 0.000 1.162 284 A CB 0.426 19.303 19.000 -0.205 0.000 1.138 284 A HN 0.509 nan 8.150 nan 0.000 0.532 285 P HA 0.006 nan 4.420 nan 0.000 0.235 285 P C 0.694 177.931 177.300 -0.105 0.000 1.765 285 P CA 0.037 63.060 63.100 -0.128 0.000 1.034 285 P CB -0.322 31.344 31.700 -0.057 0.000 1.984 286 H N 1.349 120.321 119.070 -0.163 0.000 1.455 286 H HA -0.247 4.309 4.556 -0.000 0.000 0.091 286 H C 0.500 175.626 175.328 -0.336 0.000 1.257 286 H CA 2.151 58.004 56.048 -0.326 0.000 1.900 286 H CB -1.226 28.233 29.762 -0.504 0.000 2.256 286 H HN 0.617 nan 8.280 nan 0.000 0.960 287 H N -0.394 118.755 119.070 0.131 0.000 2.533 287 H HA 0.589 5.145 4.556 -0.000 0.000 0.281 287 H C 0.725 176.069 175.328 0.027 0.000 1.238 287 H CA 0.648 56.731 56.048 0.058 0.000 1.024 287 H CB 0.182 29.969 29.762 0.041 0.000 1.604 287 H HN 0.473 nan 8.280 nan 0.000 0.531 288 A N -0.032 122.839 122.820 0.086 0.000 2.551 288 A HA 0.252 4.572 4.320 -0.000 0.000 0.252 288 A C 1.637 179.233 177.584 0.019 0.000 1.199 288 A CA -0.152 51.910 52.037 0.041 0.000 0.972 288 A CB 0.272 19.281 19.000 0.015 0.000 1.153 288 A HN 0.302 nan 8.150 nan 0.000 0.559 289 I N 0.428 121.016 120.570 0.030 0.000 2.512 289 I HA -0.095 4.075 4.170 -0.000 0.000 0.247 289 I C 1.977 178.107 176.117 0.021 0.000 1.094 289 I CA 0.993 62.300 61.300 0.012 0.000 1.427 289 I CB -0.029 37.975 38.000 0.007 0.000 1.149 289 I HN 0.522 nan 8.210 nan 0.000 0.438 290 E N 1.219 121.450 120.200 0.053 0.000 2.495 290 E HA -0.195 4.154 4.350 -0.000 0.000 0.204 290 E C 0.885 177.488 176.600 0.005 0.000 1.163 290 E CA 0.626 57.047 56.400 0.035 0.000 0.922 290 E CB -0.293 29.442 29.700 0.058 0.000 0.918 290 E HN 0.600 nan 8.360 nan 0.000 0.537 291 E N -0.037 120.162 120.200 -0.003 0.000 2.447 291 E HA 0.152 4.502 4.350 -0.000 0.000 0.204 291 E C 1.369 177.942 176.600 -0.045 0.000 0.977 291 E CA 0.447 56.833 56.400 -0.024 0.000 0.950 291 E CB 0.614 30.303 29.700 -0.018 0.000 0.975 291 E HN 0.355 nan 8.360 nan 0.000 0.496 292 A N 0.653 123.451 122.820 -0.036 0.000 2.431 292 A HA 0.088 4.408 4.320 -0.000 0.000 0.239 292 A C 1.560 179.119 177.584 -0.041 0.000 1.230 292 A CA -0.134 51.873 52.037 -0.049 0.000 0.928 292 A CB 0.281 19.257 19.000 -0.040 0.000 1.006 292 A HN 0.027 nan 8.150 nan 0.000 0.520 293 E N 0.476 120.660 120.200 -0.028 0.000 2.452 293 E HA -0.060 4.290 4.350 -0.000 0.000 0.197 293 E C 1.775 178.362 176.600 -0.023 0.000 1.022 293 E CA 1.000 57.389 56.400 -0.018 0.000 0.890 293 E CB 0.232 29.928 29.700 -0.007 0.000 0.918 293 E HN 0.664 nan 8.360 nan 0.000 0.496 294 S N 0.482 116.161 115.700 -0.036 0.000 2.406 294 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 294 S C 2.076 176.668 174.600 -0.014 0.000 1.030 294 S CA 0.405 58.587 58.200 -0.030 0.000 0.958 294 S CB -0.354 62.817 63.200 -0.048 0.000 0.811 294 S HN 0.229 nan 8.310 nan 0.000 0.489 295 L N 1.193 122.366 121.223 -0.083 0.000 2.013 295 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 295 L C 2.314 179.131 176.870 -0.088 0.000 1.073 295 L CA 1.725 56.466 54.840 -0.164 0.000 0.753 295 L CB -0.955 40.973 42.059 -0.218 0.000 0.890 295 L HN 0.410 nan 8.230 nan 0.000 0.432 296 L N -0.496 120.705 121.223 -0.037 0.000 1.976 296 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 296 L C 2.644 179.570 176.870 0.093 0.000 1.071 296 L CA 2.227 57.084 54.840 0.028 0.000 0.746 296 L CB -1.047 41.026 42.059 0.023 0.000 0.890 296 L HN 0.527 nan 8.230 nan 0.000 0.432 297 Q N -1.013 118.832 119.800 0.074 0.000 2.197 297 Q HA -0.309 4.031 4.340 -0.000 0.000 0.211 297 Q C 1.982 178.074 176.000 0.153 0.000 0.993 297 Q CA 2.443 58.299 55.803 0.089 0.000 0.883 297 Q CB -0.737 28.014 28.738 0.021 0.000 0.916 297 Q HN 0.561 nan 8.270 nan 0.000 0.418 298 F N -0.330 119.622 119.950 0.003 0.000 2.009 298 F HA -0.151 4.376 4.527 -0.000 0.000 0.293 298 F C 2.122 178.016 175.800 0.156 0.000 1.156 298 F CA 2.339 60.365 58.000 0.042 0.000 1.168 298 F CB -0.799 38.181 39.000 -0.033 0.000 0.981 298 F HN 0.249 nan 8.300 nan 0.000 0.475 299 H N -0.762 118.441 119.070 0.222 0.000 2.265 299 H HA -0.201 4.355 4.556 -0.000 0.000 0.293 299 H C 2.076 177.424 175.328 0.032 0.000 1.089 299 H CA 1.622 57.716 56.048 0.077 0.000 1.244 299 H CB -0.617 29.228 29.762 0.140 0.000 1.355 299 H HN 0.162 nan 8.280 nan 0.000 0.485 300 V N 0.730 120.762 119.914 0.197 0.000 3.284 300 V HA -0.230 3.890 4.120 -0.000 0.000 0.273 300 V C 1.937 178.138 176.094 0.179 0.000 1.178 300 V CA 1.254 63.645 62.300 0.151 0.000 1.177 300 V CB -0.887 31.003 31.823 0.112 0.000 0.793 300 V HN 0.521 nan 8.190 nan 0.000 0.536 301 A N -1.274 121.612 122.820 0.111 0.000 1.988 301 A HA 0.017 4.336 4.320 -0.000 0.000 0.201 301 A C 2.239 179.822 177.584 -0.001 0.000 1.410 301 A CA 1.112 53.188 52.037 0.065 0.000 0.832 301 A CB -0.402 18.611 19.000 0.022 0.000 0.981 301 A HN 0.323 nan 8.150 nan 0.000 0.492 302 T N -1.126 113.347 114.554 -0.135 0.000 2.788 302 T HA -0.170 4.179 4.350 -0.000 0.000 0.268 302 T C 1.723 176.425 174.700 0.004 0.000 1.044 302 T CA 1.868 63.865 62.100 -0.172 0.000 1.139 302 T CB -0.485 68.143 68.868 -0.400 0.000 0.867 302 T HN 0.509 nan 8.240 nan 0.000 0.454 303 Y N 1.373 121.631 120.300 -0.069 0.000 2.181 303 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 303 Y C 1.964 177.863 175.900 -0.002 0.000 1.179 303 Y CA 1.720 59.803 58.100 -0.029 0.000 1.179 303 Y CB -0.396 38.061 38.460 -0.005 0.000 0.973 303 Y HN 0.277 nan 8.280 nan 0.000 0.519 304 M N -1.222 118.347 119.600 -0.052 0.000 2.447 304 M HA 0.053 4.533 4.480 -0.000 0.000 0.266 304 M C -0.033 176.240 176.300 -0.046 0.000 1.120 304 M CA 0.822 56.042 55.300 -0.132 0.000 1.166 304 M CB 0.310 32.925 32.600 0.025 0.000 1.349 304 M HN 0.025 nan 8.290 nan 0.000 0.463 305 D N -0.776 119.613 120.400 -0.018 0.000 2.732 305 D HA 0.258 4.898 4.640 -0.000 0.000 0.229 305 D C -0.797 175.475 176.300 -0.045 0.000 1.152 305 D CA -0.106 53.879 54.000 -0.024 0.000 0.854 305 D CB 1.725 42.530 40.800 0.008 0.000 1.590 305 D HN -0.117 nan 8.370 nan 0.000 0.468 306 N N 1.174 119.850 118.700 -0.040 0.000 2.129 306 N HA 0.047 4.787 4.740 -0.000 0.000 0.222 306 N C -1.023 174.478 175.510 -0.016 0.000 1.303 306 N CA 0.114 53.143 53.050 -0.036 0.000 0.897 306 N CB 0.718 39.191 38.487 -0.024 0.000 1.093 306 N HN 0.326 nan 8.380 nan 0.000 0.501 307 D N 0.764 121.153 120.400 -0.017 0.000 2.973 307 D HA 0.305 4.945 4.640 -0.000 0.000 0.263 307 D C 0.073 176.371 176.300 -0.002 0.000 1.266 307 D CA -0.023 53.971 54.000 -0.009 0.000 0.975 307 D CB 0.683 41.471 40.800 -0.020 0.000 1.032 307 D HN 0.240 nan 8.370 nan 0.000 0.510 308 I N 0.024 120.599 120.570 0.009 0.000 2.918 308 I HA 0.380 4.550 4.170 -0.000 0.000 0.316 308 I C 1.493 177.628 176.117 0.029 0.000 1.001 308 I CA -0.910 60.403 61.300 0.021 0.000 1.142 308 I CB 1.382 39.399 38.000 0.028 0.000 1.356 308 I HN 0.088 nan 8.210 nan 0.000 0.524 309 A N 2.434 125.274 122.820 0.033 0.000 2.072 309 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 309 A C 1.719 179.329 177.584 0.045 0.000 1.156 309 A CA 0.864 52.922 52.037 0.034 0.000 0.701 309 A CB -0.783 18.236 19.000 0.031 0.000 0.816 309 A HN 0.930 nan 8.150 nan 0.000 0.458 310 G N -0.605 108.229 108.800 0.056 0.000 3.392 310 G HA2 0.296 4.256 3.960 -0.000 0.000 0.247 310 G HA3 0.296 4.256 3.960 -0.000 0.000 0.247 310 G C 0.575 175.527 174.900 0.086 0.000 1.161 310 G CA 0.427 45.569 45.100 0.071 0.000 1.739 310 G HN 0.592 nan 8.290 nan 0.000 0.619 311 Q N -0.251 119.590 119.800 0.068 0.000 2.632 311 Q HA -0.265 4.075 4.340 -0.000 0.000 0.459 311 Q C -1.304 174.754 176.000 0.096 0.000 0.530 311 Q CA 1.925 57.769 55.803 0.069 0.000 1.014 311 Q CB -2.005 26.766 28.738 0.056 0.000 1.769 311 Q HN 0.435 nan 8.270 nan 0.000 1.079 312 P HA -0.202 nan 4.420 nan 0.000 0.250 312 P C -0.491 176.925 177.300 0.193 0.000 1.095 312 P CA 1.218 64.417 63.100 0.164 0.000 0.774 312 P CB 0.100 31.925 31.700 0.208 0.000 0.678 313 Q N 3.004 122.891 119.800 0.144 0.000 2.403 313 Q HA 0.138 4.478 4.340 -0.000 0.000 0.203 313 Q C 0.949 177.036 176.000 0.145 0.000 0.932 313 Q CA 0.582 56.453 55.803 0.113 0.000 0.945 313 Q CB 0.107 28.889 28.738 0.073 0.000 1.045 313 Q HN 0.658 nan 8.270 nan 0.000 0.511 314 A N 1.015 123.992 122.820 0.261 0.000 2.667 314 A HA -0.189 4.130 4.320 -0.000 0.000 0.298 314 A C 0.044 177.731 177.584 0.172 0.000 1.483 314 A CA 0.200 52.426 52.037 0.315 0.000 0.738 314 A CB -2.247 16.918 19.000 0.274 0.000 1.067 314 A HN 0.421 nan 8.150 nan 0.000 0.451 315 L N 0.328 121.631 121.223 0.133 0.000 2.534 315 L HA 0.083 4.423 4.340 -0.000 0.000 0.271 315 L C 1.151 178.072 176.870 0.085 0.000 1.178 315 L CA 0.455 55.349 54.840 0.090 0.000 0.907 315 L CB 0.552 42.653 42.059 0.070 0.000 1.164 315 L HN 0.742 nan 8.230 nan 0.000 0.482 316 Q N 5.049 124.896 119.800 0.078 0.000 2.267 316 Q HA 0.130 4.470 4.340 -0.000 0.000 0.255 316 Q C -0.465 175.569 176.000 0.057 0.000 0.923 316 Q CA -0.789 55.057 55.803 0.072 0.000 0.925 316 Q CB 0.966 29.763 28.738 0.097 0.000 1.195 316 Q HN 0.402 nan 8.270 nan 0.000 0.417 317 K N 2.395 122.818 120.400 0.038 0.000 2.378 317 K HA -0.230 4.090 4.320 -0.000 0.000 0.250 317 K C 0.244 176.865 176.600 0.036 0.000 1.125 317 K CA 1.447 57.750 56.287 0.027 0.000 1.192 317 K CB -0.400 32.104 32.500 0.007 0.000 0.751 317 K HN 1.002 nan 8.250 nan 0.000 0.502 318 S N 0.183 115.901 115.700 0.030 0.000 2.042 318 S HA -0.112 4.357 4.470 -0.000 0.000 0.252 318 S C 0.849 175.467 174.600 0.030 0.000 1.373 318 S CA 0.935 59.153 58.200 0.029 0.000 1.133 318 S CB -1.916 61.305 63.200 0.034 0.000 1.435 318 S HN 1.600 nan 8.310 nan 0.000 0.649 319 G N 1.388 110.209 108.800 0.035 0.000 2.153 319 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.252 319 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.252 319 G C -0.150 174.772 174.900 0.037 0.000 0.994 319 G CA 0.555 45.676 45.100 0.035 0.000 0.698 319 G HN 0.923 nan 8.290 nan 0.000 0.521 320 R N 0.490 121.016 120.500 0.043 0.000 2.267 320 R HA 0.308 4.648 4.340 -0.000 0.000 0.319 320 R C -0.662 175.667 176.300 0.047 0.000 1.067 320 R CA -1.382 54.743 56.100 0.042 0.000 0.936 320 R CB 0.630 30.959 30.300 0.047 0.000 1.006 320 R HN 0.040 nan 8.270 nan 0.000 0.452 321 P HA -0.264 nan 4.420 nan 0.000 0.224 321 P C -0.546 176.780 177.300 0.043 0.000 1.153 321 P CA 1.246 64.368 63.100 0.037 0.000 0.947 321 P CB 0.143 31.857 31.700 0.023 0.000 0.790 322 V N -3.308 116.629 119.914 0.039 0.000 3.031 322 V HA -0.101 4.019 4.120 -0.000 0.000 0.440 322 V C -0.446 175.659 176.094 0.018 0.000 0.682 322 V CA -0.343 61.981 62.300 0.041 0.000 1.974 322 V CB -0.684 31.168 31.823 0.048 0.000 2.460 322 V HN 0.120 nan 8.190 nan 0.000 0.489 323 K N 3.714 124.121 120.400 0.011 0.000 2.183 323 K HA 0.485 4.805 4.320 -0.000 0.000 0.272 323 K C 0.538 177.123 176.600 -0.025 0.000 1.113 323 K CA 0.236 56.516 56.287 -0.011 0.000 0.949 323 K CB 0.851 33.339 32.500 -0.019 0.000 1.365 323 K HN 0.837 nan 8.250 nan 0.000 0.420 324 S N 2.026 117.704 115.700 -0.036 0.000 2.560 324 S HA 0.087 4.557 4.470 -0.000 0.000 0.284 324 S C 1.530 176.067 174.600 -0.105 0.000 1.327 324 S CA -0.638 57.524 58.200 -0.065 0.000 1.055 324 S CB 0.528 63.693 63.200 -0.058 0.000 0.868 324 S HN 0.472 nan 8.310 nan 0.000 0.506 325 I N 1.824 122.286 120.570 -0.179 0.000 2.113 325 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 325 I C 2.961 178.995 176.117 -0.138 0.000 1.057 325 I CA 2.316 63.505 61.300 -0.185 0.000 1.314 325 I CB -0.499 37.331 38.000 -0.283 0.000 1.022 325 I HN 0.875 nan 8.210 nan 0.000 0.408 326 R N 1.683 122.101 120.500 -0.136 0.000 2.136 326 R HA -0.294 4.046 4.340 -0.000 0.000 0.242 326 R C 2.318 178.537 176.300 -0.135 0.000 1.131 326 R CA 2.407 58.410 56.100 -0.161 0.000 0.937 326 R CB -0.682 29.525 30.300 -0.154 0.000 0.863 326 R HN 0.363 nan 8.270 nan 0.000 0.435 327 A N 1.062 123.821 122.820 -0.102 0.000 2.054 327 A HA -0.221 4.099 4.320 -0.000 0.000 0.223 327 A C 2.220 179.759 177.584 -0.074 0.000 1.169 327 A CA 1.930 53.920 52.037 -0.080 0.000 0.655 327 A CB -0.628 18.337 19.000 -0.058 0.000 0.812 327 A HN 0.533 nan 8.150 nan 0.000 0.462 328 R N -0.954 119.499 120.500 -0.079 0.000 2.189 328 R HA 0.058 4.398 4.340 -0.000 0.000 0.218 328 R C 1.511 177.770 176.300 -0.068 0.000 1.074 328 R CA 1.221 57.281 56.100 -0.066 0.000 0.991 328 R CB -0.249 30.012 30.300 -0.064 0.000 0.883 328 R HN 0.589 nan 8.270 nan 0.000 0.457 329 L N -0.066 121.102 121.223 -0.090 0.000 2.515 329 L HA 0.155 4.495 4.340 -0.000 0.000 0.223 329 L C 0.876 177.689 176.870 -0.095 0.000 1.079 329 L CA -0.215 54.568 54.840 -0.094 0.000 0.857 329 L CB -0.153 41.830 42.059 -0.126 0.000 1.050 329 L HN -0.043 nan 8.230 nan 0.000 0.476 330 K N 2.047 122.385 120.400 -0.103 0.000 2.586 330 K HA 0.012 4.332 4.320 -0.000 0.000 0.280 330 K C 0.694 177.255 176.600 -0.065 0.000 0.972 330 K CA 0.399 56.629 56.287 -0.096 0.000 1.040 330 K CB 0.412 32.860 32.500 -0.087 0.000 0.870 330 K HN 0.139 nan 8.250 nan 0.000 0.497 331 G N 3.279 112.044 108.800 -0.059 0.000 2.238 331 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.234 331 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.234 331 G C -0.538 174.355 174.900 -0.011 0.000 1.181 331 G CA 0.633 45.719 45.100 -0.024 0.000 0.871 331 G HN 0.942 nan 8.290 nan 0.000 0.490 332 K N 1.069 121.472 120.400 0.005 0.000 5.248 332 K HA -0.235 4.085 4.320 -0.000 0.000 0.573 332 K C 0.983 177.579 176.600 -0.007 0.000 2.577 332 K CA 1.193 57.483 56.287 0.006 0.000 2.028 332 K CB -0.387 32.118 32.500 0.009 0.000 2.551 332 K HN 0.895 nan 8.250 nan 0.000 0.155 333 E N -2.162 118.035 120.200 -0.004 0.000 3.343 333 E HA -0.261 4.089 4.350 -0.000 0.000 0.281 333 E C 0.354 176.945 176.600 -0.015 0.000 0.914 333 E CA 2.027 58.422 56.400 -0.009 0.000 0.884 333 E CB -1.455 28.239 29.700 -0.010 0.000 1.445 333 E HN 0.744 nan 8.360 nan 0.000 0.468 334 G N -0.522 108.267 108.800 -0.018 0.000 2.687 334 G HA2 0.462 4.422 3.960 -0.000 0.000 0.301 334 G HA3 0.462 4.422 3.960 -0.000 0.000 0.301 334 G C 0.326 175.210 174.900 -0.027 0.000 1.416 334 G CA 0.067 45.151 45.100 -0.026 0.000 1.005 334 G HN 0.004 nan 8.290 nan 0.000 0.509 335 R N 0.794 121.278 120.500 -0.026 0.000 3.453 335 R HA -0.344 3.996 4.340 -0.000 0.000 0.550 335 R C 2.300 178.588 176.300 -0.020 0.000 0.360 335 R CA 2.327 58.412 56.100 -0.024 0.000 0.405 335 R CB -1.214 29.067 30.300 -0.032 0.000 0.593 335 R HN 0.503 nan 8.270 nan 0.000 0.257 336 I N 0.111 120.666 120.570 -0.026 0.000 2.148 336 I HA -0.371 3.799 4.170 -0.000 0.000 0.229 336 I C 2.525 178.638 176.117 -0.006 0.000 0.993 336 I CA 2.353 63.643 61.300 -0.017 0.000 1.295 336 I CB -1.136 36.849 38.000 -0.026 0.000 1.004 336 I HN 0.464 nan 8.210 nan 0.000 0.386 337 R N 0.056 120.554 120.500 -0.003 0.000 2.115 337 R HA -0.073 4.267 4.340 -0.000 0.000 0.226 337 R C 1.858 178.159 176.300 0.002 0.000 1.100 337 R CA 1.353 57.457 56.100 0.008 0.000 0.980 337 R CB -0.259 30.055 30.300 0.022 0.000 0.875 337 R HN 0.520 nan 8.270 nan 0.000 0.445 338 G N -1.112 107.686 108.800 -0.004 0.000 3.393 338 G HA2 0.011 3.971 3.960 -0.000 0.000 0.255 338 G HA3 0.011 3.971 3.960 -0.000 0.000 0.255 338 G C 0.597 175.493 174.900 -0.007 0.000 1.097 338 G CA -0.249 44.849 45.100 -0.004 0.000 0.780 338 G HN 0.203 nan 8.290 nan 0.000 0.540 339 N N -0.662 118.033 118.700 -0.009 0.000 2.372 339 N HA 0.190 4.930 4.740 -0.000 0.000 0.242 339 N C 1.711 177.215 175.510 -0.010 0.000 1.124 339 N CA 0.008 53.053 53.050 -0.009 0.000 0.824 339 N CB 0.641 39.121 38.487 -0.012 0.000 1.468 339 N HN 0.189 nan 8.380 nan 0.000 0.470 340 L N 0.394 121.611 121.223 -0.009 0.000 2.349 340 L HA 0.249 4.589 4.340 -0.000 0.000 0.200 340 L C 1.798 178.662 176.870 -0.011 0.000 1.064 340 L CA 0.396 55.230 54.840 -0.010 0.000 0.821 340 L CB -0.053 42.002 42.059 -0.007 0.000 1.027 340 L HN -0.009 nan 8.230 nan 0.000 0.476 341 M N -0.109 119.486 119.600 -0.008 0.000 2.562 341 M HA 0.181 4.661 4.480 -0.000 0.000 0.257 341 M C 0.655 176.946 176.300 -0.015 0.000 1.099 341 M CA 0.407 55.702 55.300 -0.009 0.000 1.099 341 M CB -0.556 32.043 32.600 -0.001 0.000 1.427 341 M HN 0.204 nan 8.290 nan 0.000 0.489 342 G N 0.525 109.317 108.800 -0.014 0.000 2.752 342 G HA2 0.542 4.502 3.960 -0.000 0.000 0.298 342 G HA3 0.542 4.502 3.960 -0.000 0.000 0.298 342 G C -1.229 173.663 174.900 -0.013 0.000 1.434 342 G CA -0.734 44.357 45.100 -0.016 0.000 1.004 342 G HN 0.138 nan 8.290 nan 0.000 0.560 343 K N 0.643 121.033 120.400 -0.016 0.000 2.466 343 K HA 0.600 4.920 4.320 -0.000 0.000 0.260 343 K C -0.174 176.425 176.600 -0.001 0.000 1.011 343 K CA -1.064 55.217 56.287 -0.009 0.000 0.871 343 K CB 2.605 35.099 32.500 -0.010 0.000 1.404 343 K HN 0.445 nan 8.250 nan 0.000 0.450 344 R N 0.621 121.126 120.500 0.009 0.000 2.560 344 R HA 0.479 4.818 4.340 -0.000 0.000 0.270 344 R C -0.225 176.092 176.300 0.028 0.000 1.074 344 R CA -0.713 55.402 56.100 0.025 0.000 1.140 344 R CB 1.007 31.320 30.300 0.023 0.000 1.073 344 R HN 0.479 nan 8.270 nan 0.000 0.527 345 V N -1.910 118.035 119.914 0.051 0.000 3.206 345 V HA 0.473 4.593 4.120 -0.000 0.000 0.305 345 V C -1.196 174.964 176.094 0.109 0.000 1.257 345 V CA -1.118 61.222 62.300 0.067 0.000 1.057 345 V CB 2.512 34.352 31.823 0.028 0.000 1.075 345 V HN 0.585 nan 8.190 nan 0.000 0.443 346 D N 0.649 121.147 120.400 0.163 0.000 2.437 346 D HA 0.578 5.218 4.640 -0.000 0.000 0.259 346 D C -0.288 176.213 176.300 0.334 0.000 1.118 346 D CA 0.137 54.222 54.000 0.141 0.000 1.017 346 D CB 0.663 41.530 40.800 0.111 0.000 1.120 346 D HN 0.786 nan 8.370 nan 0.000 0.541 347 F N -0.423 119.587 119.950 0.099 0.000 2.905 347 F HA -0.230 4.297 4.527 -0.000 0.000 0.291 347 F C 0.008 175.909 175.800 0.167 0.000 1.002 347 F CA 0.084 58.157 58.000 0.123 0.000 0.978 347 F CB -2.087 36.983 39.000 0.116 0.000 1.036 347 F HN 0.184 nan 8.300 nan 0.000 0.820 348 S N -0.952 114.881 115.700 0.221 0.000 2.536 348 S HA 0.993 5.463 4.470 -0.000 0.000 0.271 348 S C -0.571 174.108 174.600 0.132 0.000 1.134 348 S CA -0.364 57.969 58.200 0.222 0.000 0.897 348 S CB 2.393 65.793 63.200 0.332 0.000 1.094 348 S HN 1.305 nan 8.310 nan 0.000 0.473 349 A N 1.599 124.493 122.820 0.125 0.000 2.556 349 A HA 0.967 5.287 4.320 -0.000 0.000 0.294 349 A C -0.718 177.018 177.584 0.255 0.000 1.091 349 A CA -0.952 51.199 52.037 0.189 0.000 0.704 349 A CB 1.911 21.079 19.000 0.280 0.000 1.300 349 A HN 1.051 nan 8.150 nan 0.000 0.406 350 R N -0.066 120.591 120.500 0.262 0.000 2.604 350 R HA 0.682 5.022 4.340 -0.000 0.000 0.270 350 R C -0.861 175.504 176.300 0.108 0.000 1.052 350 R CA 0.455 56.732 56.100 0.295 0.000 0.902 350 R CB 1.994 32.361 30.300 0.111 0.000 1.233 350 R HN 1.378 nan 8.270 nan 0.000 0.455 351 T N -1.406 113.189 114.554 0.069 0.000 2.647 351 T HA 0.359 4.709 4.350 -0.000 0.000 0.302 351 T C -1.053 173.633 174.700 -0.022 0.000 1.389 351 T CA -0.579 61.429 62.100 -0.153 0.000 1.037 351 T CB 0.756 69.323 68.868 -0.501 0.000 1.755 351 T HN 0.199 nan 8.240 nan 0.000 0.467 352 V N 2.126 122.002 119.914 -0.063 0.000 2.644 352 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 352 V C 0.501 176.643 176.094 0.081 0.000 1.053 352 V CA -0.801 61.516 62.300 0.029 0.000 0.987 352 V CB 0.922 32.749 31.823 0.007 0.000 1.006 352 V HN 0.886 nan 8.190 nan 0.000 0.472 353 I N 1.462 122.133 120.570 0.168 0.000 2.607 353 I HA 0.925 5.095 4.170 -0.000 0.000 0.305 353 I C -0.163 175.961 176.117 0.012 0.000 0.995 353 I CA -0.158 61.264 61.300 0.204 0.000 1.148 353 I CB 2.154 40.370 38.000 0.360 0.000 1.323 353 I HN 0.648 nan 8.210 nan 0.000 0.461 354 S N 2.175 117.660 115.700 -0.359 0.000 2.550 354 S HA 0.697 5.167 4.470 -0.000 0.000 0.270 354 S C -0.212 173.611 174.600 -1.295 0.000 1.145 354 S CA -0.748 56.835 58.200 -1.028 0.000 0.852 354 S CB 1.094 64.016 63.200 -0.464 0.000 1.119 354 S HN 1.126 nan 8.310 nan 0.000 0.465 355 G N -0.015 107.701 108.800 -1.806 0.000 2.527 355 G HA2 0.488 4.448 3.960 -0.000 0.000 0.248 355 G HA3 0.488 4.448 3.960 -0.000 0.000 0.248 355 G C -0.888 173.848 174.900 -0.273 0.000 1.231 355 G CA -0.046 44.671 45.100 -0.639 0.000 0.838 355 G HN 0.726 nan 8.290 nan 0.000 0.570 356 D N 1.286 121.625 120.400 -0.101 0.000 2.584 356 D HA 0.139 4.778 4.640 -0.000 0.000 0.238 356 D C -1.952 174.351 176.300 0.006 0.000 1.302 356 D CA -1.062 52.903 54.000 -0.058 0.000 0.884 356 D CB 1.576 42.328 40.800 -0.080 0.000 1.456 356 D HN 0.167 nan 8.370 nan 0.000 0.528 357 P HA -0.025 nan 4.420 nan 0.000 0.261 357 P C 0.198 177.555 177.300 0.094 0.000 1.277 357 P CA 0.321 63.466 63.100 0.074 0.000 0.748 357 P CB 0.191 31.940 31.700 0.081 0.000 1.062 358 N N -0.821 117.921 118.700 0.070 0.000 2.177 358 N HA 0.187 4.927 4.740 -0.000 0.000 0.218 358 N C 0.330 175.863 175.510 0.039 0.000 1.182 358 N CA -0.041 53.060 53.050 0.084 0.000 0.882 358 N CB 0.766 39.305 38.487 0.087 0.000 1.052 358 N HN 0.251 nan 8.380 nan 0.000 0.519 359 L N 1.130 122.364 121.223 0.018 0.000 2.334 359 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 359 L C 0.696 177.568 176.870 0.003 0.000 1.036 359 L CA -0.787 54.047 54.840 -0.010 0.000 0.807 359 L CB 1.170 43.200 42.059 -0.047 0.000 1.231 359 L HN -0.130 nan 8.230 nan 0.000 0.438 360 E N 0.920 121.117 120.200 -0.004 0.000 2.410 360 E HA -0.024 4.326 4.350 -0.000 0.000 0.255 360 E C 0.710 177.305 176.600 -0.008 0.000 1.194 360 E CA -0.276 56.131 56.400 0.012 0.000 0.955 360 E CB 0.770 30.476 29.700 0.009 0.000 0.988 360 E HN 0.399 nan 8.360 nan 0.000 0.461 361 L N 1.855 123.075 121.223 -0.006 0.000 1.970 361 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 361 L C 1.477 178.327 176.870 -0.033 0.000 1.071 361 L CA 2.415 57.215 54.840 -0.068 0.000 0.751 361 L CB -0.754 41.202 42.059 -0.171 0.000 0.889 361 L HN 0.575 nan 8.230 nan 0.000 0.432 362 D N -1.204 119.203 120.400 0.012 0.000 2.390 362 D HA -0.111 4.529 4.640 -0.000 0.000 0.235 362 D C 0.759 177.117 176.300 0.097 0.000 1.040 362 D CA 0.330 54.392 54.000 0.103 0.000 0.923 362 D CB -0.287 40.548 40.800 0.057 0.000 0.886 362 D HN 0.570 nan 8.370 nan 0.000 0.532 363 Q N -0.713 119.065 119.800 -0.038 0.000 2.298 363 Q HA 0.602 4.942 4.340 -0.000 0.000 0.181 363 Q C -0.870 174.940 176.000 -0.316 0.000 1.004 363 Q CA -1.092 54.651 55.803 -0.101 0.000 1.050 363 Q CB 2.200 30.886 28.738 -0.088 0.000 1.254 363 Q HN 0.023 nan 8.270 nan 0.000 0.531 364 V N -0.391 119.345 119.914 -0.298 0.000 2.850 364 V HA 0.324 4.444 4.120 -0.000 0.000 0.276 364 V C -1.171 174.768 176.094 -0.259 0.000 1.467 364 V CA -0.420 61.605 62.300 -0.459 0.000 0.926 364 V CB 1.459 32.779 31.823 -0.840 0.000 1.131 364 V HN 0.809 nan 8.190 nan 0.000 0.453 365 G N 5.687 114.384 108.800 -0.171 0.000 2.367 365 G HA2 0.462 4.422 3.960 -0.000 0.000 0.282 365 G HA3 0.462 4.422 3.960 -0.000 0.000 0.282 365 G C -0.357 174.575 174.900 0.052 0.000 1.140 365 G CA 0.010 45.077 45.100 -0.056 0.000 1.088 365 G HN 0.994 nan 8.290 nan 0.000 0.431 366 V N 6.585 126.525 119.914 0.043 0.000 2.370 366 V HA 0.288 4.408 4.120 -0.000 0.000 0.279 366 V C -1.687 174.418 176.094 0.018 0.000 1.029 366 V CA -1.749 60.630 62.300 0.130 0.000 0.870 366 V CB 1.829 33.719 31.823 0.111 0.000 0.984 366 V HN 0.622 nan 8.190 nan 0.000 0.451 367 P HA 0.091 nan 4.420 nan 0.000 0.271 367 P C 0.578 177.813 177.300 -0.109 0.000 1.216 367 P CA -0.210 62.840 63.100 -0.084 0.000 0.771 367 P CB 1.071 32.696 31.700 -0.126 0.000 0.864 368 K N 3.048 123.348 120.400 -0.166 0.000 2.107 368 K HA -0.261 4.059 4.320 -0.000 0.000 0.211 368 K C 2.047 178.551 176.600 -0.159 0.000 1.049 368 K CA 2.440 58.581 56.287 -0.245 0.000 0.927 368 K CB -0.582 31.766 32.500 -0.255 0.000 0.714 368 K HN 0.426 nan 8.250 nan 0.000 0.452 369 S N 0.385 116.014 115.700 -0.118 0.000 2.372 369 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 369 S C 1.904 176.481 174.600 -0.040 0.000 1.044 369 S CA 1.871 60.025 58.200 -0.078 0.000 1.050 369 S CB -0.387 62.764 63.200 -0.081 0.000 0.901 369 S HN 0.437 nan 8.310 nan 0.000 0.447 370 I N 1.413 121.964 120.570 -0.031 0.000 2.400 370 I HA 0.044 4.214 4.170 -0.000 0.000 0.248 370 I C 2.990 179.152 176.117 0.076 0.000 1.109 370 I CA 0.785 62.103 61.300 0.030 0.000 1.425 370 I CB -0.699 37.335 38.000 0.056 0.000 1.094 370 I HN 0.426 nan 8.210 nan 0.000 0.425 371 A N 0.987 123.832 122.820 0.042 0.000 1.986 371 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 371 A C 2.235 179.942 177.584 0.205 0.000 1.171 371 A CA 1.705 53.804 52.037 0.103 0.000 0.640 371 A CB -0.461 18.522 19.000 -0.028 0.000 0.811 371 A HN 0.350 nan 8.150 nan 0.000 0.451 372 K N -1.421 119.037 120.400 0.096 0.000 2.365 372 K HA 0.013 4.333 4.320 -0.000 0.000 0.197 372 K C 1.604 178.391 176.600 0.310 0.000 1.042 372 K CA 1.157 57.524 56.287 0.133 0.000 0.987 372 K CB 0.008 32.464 32.500 -0.073 0.000 0.779 372 K HN 0.460 nan 8.250 nan 0.000 0.484 373 T N 1.264 115.919 114.554 0.168 0.000 2.866 373 T HA 0.120 4.470 4.350 -0.000 0.000 0.250 373 T C 0.807 175.562 174.700 0.092 0.000 1.033 373 T CA 0.226 62.383 62.100 0.095 0.000 1.145 373 T CB 0.152 69.047 68.868 0.045 0.000 0.866 373 T HN 0.001 nan 8.240 nan 0.000 0.434 374 L N 1.750 123.058 121.223 0.141 0.000 2.426 374 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 374 L C 0.451 177.460 176.870 0.232 0.000 1.169 374 L CA 0.008 54.952 54.840 0.174 0.000 0.836 374 L CB 0.737 42.923 42.059 0.213 0.000 1.112 374 L HN 0.153 nan 8.230 nan 0.000 0.465 375 T N 1.216 115.958 114.554 0.313 0.000 2.896 375 T HA 0.487 4.837 4.350 -0.000 0.000 0.297 375 T C -1.650 173.300 174.700 0.416 0.000 1.108 375 T CA -0.399 61.887 62.100 0.310 0.000 1.004 375 T CB 1.315 70.317 68.868 0.223 0.000 1.159 375 T HN 0.369 nan 8.240 nan 0.000 0.499 376 Y N 4.490 124.877 120.300 0.145 0.000 2.361 376 Y HA 0.590 5.140 4.550 -0.000 0.000 0.337 376 Y C -2.586 173.342 175.900 0.046 0.000 0.965 376 Y CA -2.527 55.617 58.100 0.073 0.000 1.091 376 Y CB 2.271 40.765 38.460 0.057 0.000 1.182 376 Y HN 0.341 nan 8.280 nan 0.000 0.450 377 P HA 0.137 nan 4.420 nan 0.000 0.280 377 P C -0.944 175.957 177.300 -0.664 0.000 1.386 377 P CA 0.087 62.884 63.100 -0.504 0.000 0.899 377 P CB 0.979 32.443 31.700 -0.393 0.000 1.098 378 E N 2.687 122.720 120.200 -0.278 0.000 2.214 378 E HA 0.379 4.729 4.350 -0.000 0.000 0.274 378 E C -0.826 175.746 176.600 -0.047 0.000 0.977 378 E CA -0.979 55.372 56.400 -0.082 0.000 0.827 378 E CB 1.304 31.069 29.700 0.108 0.000 1.130 378 E HN 0.120 nan 8.360 nan 0.000 0.394 379 V N 3.912 123.819 119.914 -0.012 0.000 2.370 379 V HA 0.180 4.300 4.120 -0.000 0.000 0.283 379 V C -0.063 176.031 176.094 0.000 0.000 1.023 379 V CA -1.031 61.269 62.300 0.000 0.000 0.857 379 V CB 1.307 33.131 31.823 0.001 0.000 0.985 379 V HN 0.543 nan 8.190 nan 0.000 0.443 380 V N 4.810 124.723 119.914 -0.002 0.000 2.583 380 V HA 0.062 4.182 4.120 -0.000 0.000 0.302 380 V C 0.711 176.723 176.094 -0.137 0.000 1.033 380 V CA 1.291 63.540 62.300 -0.084 0.000 1.194 380 V CB 0.315 32.069 31.823 -0.115 0.000 0.879 380 V HN 1.048 nan 8.190 nan 0.000 0.482 381 T N 7.674 122.113 114.554 -0.192 0.000 2.933 381 T HA 0.401 4.751 4.350 -0.000 0.000 0.305 381 T C -1.668 172.870 174.700 -0.270 0.000 1.092 381 T CA -0.905 61.062 62.100 -0.222 0.000 1.008 381 T CB 2.263 70.979 68.868 -0.253 0.000 1.102 381 T HN 0.443 nan 8.240 nan 0.000 0.469 382 P HA -0.210 nan 4.420 nan 0.000 0.218 382 P C 1.057 178.406 177.300 0.081 0.000 1.150 382 P CA 1.675 64.800 63.100 0.042 0.000 0.841 382 P CB -0.043 31.806 31.700 0.248 0.000 0.784 383 Y N 0.941 121.270 120.300 0.048 0.000 2.256 383 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 383 Y C 2.407 178.308 175.900 0.001 0.000 1.155 383 Y CA 1.005 59.120 58.100 0.025 0.000 1.203 383 Y CB -0.841 37.637 38.460 0.029 0.000 0.980 383 Y HN 0.242 nan 8.280 nan 0.000 0.530 384 N N -1.415 117.345 118.700 0.100 0.000 2.503 384 N HA -0.048 4.692 4.740 -0.000 0.000 0.210 384 N C 1.337 176.826 175.510 -0.036 0.000 1.077 384 N CA 0.106 53.178 53.050 0.037 0.000 0.855 384 N CB -0.613 37.899 38.487 0.043 0.000 1.323 384 N HN -0.001 nan 8.380 nan 0.000 0.452 385 I N 2.233 122.729 120.570 -0.124 0.000 3.642 385 I HA -0.490 3.680 4.170 -0.000 0.000 0.171 385 I C 1.165 177.218 176.117 -0.107 0.000 0.746 385 I CA 2.382 63.569 61.300 -0.189 0.000 1.031 385 I CB -1.070 36.753 38.000 -0.294 0.000 0.825 385 I HN 0.335 nan 8.210 nan 0.000 0.296 386 D N -0.314 120.044 120.400 -0.070 0.000 2.182 386 D HA -0.264 4.376 4.640 -0.000 0.000 0.193 386 D C 2.052 178.335 176.300 -0.027 0.000 0.999 386 D CA 2.055 56.031 54.000 -0.040 0.000 0.850 386 D CB -0.577 40.212 40.800 -0.018 0.000 0.994 386 D HN 0.424 nan 8.370 nan 0.000 0.450 387 R N 0.675 121.167 120.500 -0.012 0.000 2.134 387 R HA -0.195 4.145 4.340 -0.000 0.000 0.248 387 R C 2.706 179.002 176.300 -0.006 0.000 1.143 387 R CA 1.312 57.410 56.100 -0.003 0.000 0.957 387 R CB -0.600 29.706 30.300 0.010 0.000 0.867 387 R HN 0.169 nan 8.270 nan 0.000 0.441 388 L N -0.170 121.046 121.223 -0.012 0.000 2.012 388 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 388 L C 2.402 179.264 176.870 -0.014 0.000 1.073 388 L CA 2.047 56.881 54.840 -0.010 0.000 0.748 388 L CB -0.385 41.661 42.059 -0.023 0.000 0.891 388 L HN 0.373 nan 8.230 nan 0.000 0.431 389 T N -1.805 112.730 114.554 -0.032 0.000 2.833 389 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 389 T C 1.704 176.397 174.700 -0.011 0.000 1.054 389 T CA 1.129 63.213 62.100 -0.027 0.000 1.135 389 T CB -0.156 68.684 68.868 -0.046 0.000 0.869 389 T HN 0.195 nan 8.240 nan 0.000 0.466 390 Q N 1.265 121.058 119.800 -0.011 0.000 2.020 390 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 390 Q C 2.146 178.147 176.000 0.001 0.000 0.982 390 Q CA 1.484 57.284 55.803 -0.005 0.000 0.838 390 Q CB -0.843 27.891 28.738 -0.007 0.000 0.899 390 Q HN 0.524 nan 8.270 nan 0.000 0.423 391 L N -0.623 120.602 121.223 0.003 0.000 2.013 391 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 391 L C 2.336 179.217 176.870 0.017 0.000 1.073 391 L CA 1.283 56.130 54.840 0.012 0.000 0.753 391 L CB -0.696 41.372 42.059 0.015 0.000 0.890 391 L HN 0.115 nan 8.230 nan 0.000 0.432 392 V N -0.566 119.357 119.914 0.015 0.000 2.343 392 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 392 V C 2.607 178.715 176.094 0.022 0.000 1.051 392 V CA 1.706 64.019 62.300 0.021 0.000 1.036 392 V CB -0.708 31.133 31.823 0.030 0.000 0.654 392 V HN 0.392 nan 8.190 nan 0.000 0.451 393 R N 0.125 120.635 120.500 0.016 0.000 2.073 393 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 393 R C 2.358 178.669 176.300 0.018 0.000 1.134 393 R CA 1.571 57.681 56.100 0.016 0.000 0.952 393 R CB -0.464 29.841 30.300 0.008 0.000 0.850 393 R HN 0.517 nan 8.270 nan 0.000 0.433 394 N N -0.062 118.648 118.700 0.017 0.000 2.192 394 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 394 N C 0.990 176.520 175.510 0.033 0.000 1.013 394 N CA 1.540 54.603 53.050 0.020 0.000 0.863 394 N CB -0.136 38.360 38.487 0.016 0.000 0.990 394 N HN 0.413 nan 8.380 nan 0.000 0.430 395 G N -0.433 108.390 108.800 0.038 0.000 2.685 395 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.387 395 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.387 395 G C -2.457 172.492 174.900 0.082 0.000 1.324 395 G CA -0.127 44.998 45.100 0.042 0.000 0.878 395 G HN 0.116 nan 8.290 nan 0.000 0.527 396 P HA 0.201 nan 4.420 nan 0.000 0.263 396 P C 0.470 177.866 177.300 0.161 0.000 1.448 396 P CA 0.256 63.435 63.100 0.131 0.000 0.983 396 P CB 0.237 31.915 31.700 -0.037 0.000 1.481 397 N N -0.527 118.232 118.700 0.099 0.000 2.503 397 N HA 0.063 4.803 4.740 -0.000 0.000 0.210 397 N C 0.734 176.251 175.510 0.012 0.000 1.077 397 N CA 0.212 53.290 53.050 0.046 0.000 0.855 397 N CB 0.059 38.565 38.487 0.032 0.000 1.323 397 N HN 0.133 nan 8.380 nan 0.000 0.452 398 E N -0.098 120.112 120.200 0.016 0.000 2.391 398 E HA -0.036 4.313 4.350 -0.000 0.000 0.255 398 E C 0.357 176.931 176.600 -0.044 0.000 1.187 398 E CA -0.014 56.383 56.400 -0.003 0.000 0.941 398 E CB 0.783 30.484 29.700 0.003 0.000 1.010 398 E HN 0.285 nan 8.360 nan 0.000 0.458 399 H N 1.488 120.478 119.070 -0.133 0.000 2.390 399 H HA 0.065 4.621 4.556 -0.000 0.000 0.314 399 H C -1.771 173.449 175.328 -0.180 0.000 1.053 399 H CA 0.400 56.308 56.048 -0.233 0.000 1.353 399 H CB -1.105 28.561 29.762 -0.161 0.000 1.464 399 H HN 0.252 nan 8.280 nan 0.000 0.571 400 P HA 0.148 nan 4.420 nan 0.000 0.250 400 P C -0.496 176.694 177.300 -0.182 0.000 1.198 400 P CA 1.179 63.929 63.100 -0.582 0.000 1.118 400 P CB -0.010 31.527 31.700 -0.271 0.000 1.208 401 G N 1.315 110.138 108.800 0.038 0.000 2.650 401 G HA2 0.772 4.732 3.960 -0.000 0.000 0.310 401 G HA3 0.772 4.732 3.960 -0.000 0.000 0.310 401 G C -1.845 173.197 174.900 0.236 0.000 1.270 401 G CA -0.091 45.123 45.100 0.191 0.000 0.810 401 G HN 0.482 nan 8.290 nan 0.000 0.493 402 A N -1.120 121.698 122.820 -0.004 0.000 2.567 402 A HA 0.866 5.186 4.320 -0.000 0.000 0.289 402 A C -0.470 176.945 177.584 -0.282 0.000 1.177 402 A CA 0.104 51.986 52.037 -0.258 0.000 0.694 402 A CB 1.461 20.409 19.000 -0.087 0.000 1.292 402 A HN 1.379 nan 8.150 nan 0.000 0.425 403 K N -0.934 119.297 120.400 -0.282 0.000 2.684 403 K HA 0.518 4.838 4.320 -0.000 0.000 0.189 403 K C -1.287 175.133 176.600 -0.301 0.000 1.154 403 K CA -0.089 56.013 56.287 -0.309 0.000 1.109 403 K CB 0.386 32.623 32.500 -0.439 0.000 0.826 403 K HN 0.559 nan 8.250 nan 0.000 0.501 404 Y N 0.130 120.378 120.300 -0.086 0.000 2.318 404 Y HA 0.204 4.754 4.550 -0.000 0.000 0.317 404 Y C -1.420 174.451 175.900 -0.049 0.000 1.290 404 Y CA -1.361 56.696 58.100 -0.072 0.000 1.177 404 Y CB 2.017 40.434 38.460 -0.071 0.000 1.307 404 Y HN -0.192 nan 8.280 nan 0.000 0.428 405 V N 5.748 125.740 119.914 0.130 0.000 2.628 405 V HA 0.598 4.718 4.120 -0.000 0.000 0.306 405 V C -0.388 175.664 176.094 -0.069 0.000 1.045 405 V CA -0.684 61.654 62.300 0.063 0.000 0.905 405 V CB 2.073 33.970 31.823 0.123 0.000 0.997 405 V HN 0.506 nan 8.190 nan 0.000 0.436 406 I N 2.288 122.783 120.570 -0.125 0.000 2.512 406 I HA 0.697 4.866 4.170 -0.000 0.000 0.287 406 I C -0.375 175.449 176.117 -0.488 0.000 1.069 406 I CA -0.906 60.222 61.300 -0.286 0.000 1.056 406 I CB 1.831 39.699 38.000 -0.221 0.000 1.229 406 I HN 0.485 nan 8.210 nan 0.000 0.429 407 R N 2.362 122.323 120.500 -0.899 0.000 2.549 407 R HA 0.352 4.692 4.340 -0.000 0.000 0.259 407 R C 0.656 176.548 176.300 -0.681 0.000 1.095 407 R CA -0.537 54.641 56.100 -1.537 0.000 1.148 407 R CB 0.391 29.477 30.300 -2.024 0.000 1.181 407 R HN 0.711 nan 8.270 nan 0.000 0.571 408 D N 0.091 120.218 120.400 -0.455 0.000 2.149 408 D HA -0.261 4.379 4.640 -0.000 0.000 0.194 408 D C 1.134 177.335 176.300 -0.165 0.000 1.001 408 D CA 1.797 55.703 54.000 -0.156 0.000 0.849 408 D CB -0.565 40.240 40.800 0.007 0.000 0.939 408 D HN 0.480 nan 8.370 nan 0.000 0.449 409 S N -0.185 115.400 115.700 -0.192 0.000 2.795 409 S HA 0.114 4.584 4.470 -0.000 0.000 0.236 409 S C 1.573 176.082 174.600 -0.153 0.000 0.973 409 S CA 0.199 58.313 58.200 -0.143 0.000 0.982 409 S CB -1.561 61.561 63.200 -0.131 0.000 0.786 409 S HN 0.658 nan 8.310 nan 0.000 0.538 410 G N 0.767 109.462 108.800 -0.175 0.000 2.357 410 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.282 410 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.282 410 G C -0.456 174.348 174.900 -0.159 0.000 0.910 410 G CA 0.492 45.498 45.100 -0.156 0.000 1.267 410 G HN 0.722 nan 8.290 nan 0.000 0.476 411 D N -0.671 119.604 120.400 -0.209 0.000 2.879 411 D HA 0.474 5.114 4.640 -0.000 0.000 0.236 411 D C 0.347 176.509 176.300 -0.230 0.000 1.171 411 D CA -0.800 53.086 54.000 -0.190 0.000 0.868 411 D CB 0.991 41.689 40.800 -0.170 0.000 1.598 411 D HN 0.373 nan 8.370 nan 0.000 0.497 412 R N 3.208 123.576 120.500 -0.220 0.000 2.254 412 R HA 0.502 4.842 4.340 -0.000 0.000 0.318 412 R C -0.142 176.047 176.300 -0.185 0.000 1.031 412 R CA -0.539 55.391 56.100 -0.284 0.000 0.905 412 R CB 1.079 31.130 30.300 -0.414 0.000 1.050 412 R HN 0.400 nan 8.270 nan 0.000 0.456 413 I N 2.603 123.096 120.570 -0.129 0.000 2.307 413 I HA 0.047 4.217 4.170 -0.000 0.000 0.289 413 I C 0.061 176.247 176.117 0.115 0.000 1.021 413 I CA -0.537 60.753 61.300 -0.016 0.000 1.224 413 I CB 1.062 39.062 38.000 0.000 0.000 1.376 413 I HN 0.454 nan 8.210 nan 0.000 0.470 414 D N 7.327 127.803 120.400 0.127 0.000 2.402 414 D HA 0.114 4.754 4.640 -0.000 0.000 0.235 414 D C 1.196 177.499 176.300 0.004 0.000 1.226 414 D CA -0.002 54.112 54.000 0.190 0.000 0.918 414 D CB 0.955 41.765 40.800 0.016 0.000 1.043 414 D HN 0.496 nan 8.370 nan 0.000 0.506 415 L N 3.542 124.767 121.223 0.004 0.000 2.197 415 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 415 L C 2.323 179.170 176.870 -0.039 0.000 1.095 415 L CA 1.216 56.042 54.840 -0.024 0.000 0.764 415 L CB -0.224 41.810 42.059 -0.042 0.000 0.897 415 L HN 0.420 nan 8.230 nan 0.000 0.436 416 R N -1.699 118.715 120.500 -0.143 0.000 2.236 416 R HA -0.028 4.312 4.340 -0.000 0.000 0.208 416 R C 1.008 177.516 176.300 0.347 0.000 1.036 416 R CA 0.691 56.785 56.100 -0.009 0.000 1.001 416 R CB -0.191 30.044 30.300 -0.109 0.000 0.896 416 R HN 0.379 nan 8.270 nan 0.000 0.464 417 Y N 0.941 121.251 120.300 0.016 0.000 2.710 417 Y HA 0.149 4.699 4.550 -0.000 0.000 0.117 417 Y C 0.731 176.646 175.900 0.025 0.000 0.875 417 Y CA -0.728 57.384 58.100 0.020 0.000 1.795 417 Y CB -0.338 38.136 38.460 0.024 0.000 1.154 417 Y HN 0.026 nan 8.280 nan 0.000 0.308 418 S N 2.232 118.071 115.700 0.231 0.000 4.412 418 S HA -0.240 4.230 4.470 -0.000 0.000 0.380 418 S C 0.631 175.287 174.600 0.094 0.000 0.805 418 S CA 0.643 58.918 58.200 0.126 0.000 1.256 418 S CB -0.426 62.830 63.200 0.093 0.000 2.159 418 S HN 0.673 nan 8.310 nan 0.000 0.379 419 K N 4.095 124.538 120.400 0.072 0.000 2.520 419 K HA -0.137 4.183 4.320 -0.000 0.000 0.198 419 K C 1.416 178.047 176.600 0.051 0.000 1.045 419 K CA 1.740 58.059 56.287 0.054 0.000 0.934 419 K CB -0.185 32.339 32.500 0.040 0.000 0.766 419 K HN 0.731 nan 8.250 nan 0.000 0.483 420 R N -0.000 120.535 120.500 0.058 0.000 2.393 420 R HA 0.228 4.568 4.340 -0.000 0.000 0.244 420 R C 1.783 178.117 176.300 0.058 0.000 0.920 420 R CA 0.346 56.479 56.100 0.056 0.000 1.076 420 R CB 0.210 30.547 30.300 0.062 0.000 1.119 420 R HN 0.261 nan 8.270 nan 0.000 0.524 421 A N 1.483 124.339 122.820 0.060 0.000 1.906 421 A HA -0.281 4.039 4.320 -0.000 0.000 0.236 421 A C 2.173 179.786 177.584 0.047 0.000 1.793 421 A CA 2.380 54.451 52.037 0.057 0.000 0.813 421 A CB -1.525 17.510 19.000 0.058 0.000 0.841 421 A HN 0.464 nan 8.150 nan 0.000 0.491 422 G N -1.417 107.407 108.800 0.039 0.000 2.559 422 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 422 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 422 G C 1.071 175.989 174.900 0.029 0.000 1.126 422 G CA 1.246 46.364 45.100 0.031 0.000 0.778 422 G HN 0.669 nan 8.290 nan 0.000 0.543 423 D N 0.865 121.286 120.400 0.035 0.000 1.761 423 D HA -0.045 4.595 4.640 -0.000 0.000 0.299 423 D C 1.193 177.514 176.300 0.035 0.000 1.042 423 D CA 0.046 54.066 54.000 0.033 0.000 0.906 423 D CB -0.249 40.575 40.800 0.040 0.000 1.328 423 D HN 0.195 nan 8.370 nan 0.000 0.486 424 I N 0.423 121.026 120.570 0.054 0.000 4.483 424 I HA -0.285 3.884 4.170 -0.000 0.000 0.126 424 I C -0.450 175.676 176.117 0.016 0.000 1.103 424 I CA 0.284 61.625 61.300 0.069 0.000 2.686 424 I CB -0.445 37.617 38.000 0.103 0.000 1.678 424 I HN 0.318 nan 8.210 nan 0.000 0.331 425 Q N 6.823 126.607 119.800 -0.026 0.000 2.316 425 Q HA 0.688 5.028 4.340 -0.000 0.000 0.264 425 Q C -0.346 175.501 176.000 -0.256 0.000 0.987 425 Q CA -0.928 54.806 55.803 -0.115 0.000 0.852 425 Q CB 2.331 30.997 28.738 -0.120 0.000 1.287 425 Q HN 0.535 nan 8.270 nan 0.000 0.448 426 L N 1.431 122.480 121.223 -0.289 0.000 2.456 426 L HA 0.299 4.639 4.340 -0.000 0.000 0.257 426 L C 0.432 176.855 176.870 -0.744 0.000 1.162 426 L CA -0.424 54.139 54.840 -0.462 0.000 0.808 426 L CB 0.522 42.417 42.059 -0.273 0.000 1.136 426 L HN 0.406 nan 8.230 nan 0.000 0.466 427 Q N 0.945 120.084 119.800 -1.102 0.000 2.304 427 Q HA 0.309 4.649 4.340 -0.000 0.000 0.270 427 Q C -1.440 174.254 176.000 -0.510 0.000 1.035 427 Q CA -0.786 54.433 55.803 -0.974 0.000 0.781 427 Q CB 2.146 29.881 28.738 -1.672 0.000 1.261 427 Q HN 0.317 nan 8.270 nan 0.000 0.444 428 Y N 0.606 120.732 120.300 -0.290 0.000 2.895 428 Y HA 0.097 4.647 4.550 -0.000 0.000 0.334 428 Y C 1.647 177.510 175.900 -0.062 0.000 1.261 428 Y CA 2.267 60.276 58.100 -0.152 0.000 1.560 428 Y CB 0.142 38.523 38.460 -0.131 0.000 1.253 428 Y HN 1.001 nan 8.280 nan 0.000 0.582 429 G N 0.503 109.390 108.800 0.144 0.000 2.339 429 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.209 429 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.209 429 G C -0.087 174.982 174.900 0.282 0.000 1.015 429 G CA -0.506 44.706 45.100 0.188 0.000 0.635 429 G HN 0.485 nan 8.290 nan 0.000 0.499 430 W N 1.707 122.991 121.300 -0.027 0.000 2.079 430 W HA 0.714 5.374 4.660 -0.000 0.000 0.354 430 W C 0.837 177.323 176.519 -0.056 0.000 1.302 430 W CA -0.202 57.118 57.345 -0.042 0.000 1.281 430 W CB 0.322 29.756 29.460 -0.043 0.000 1.165 430 W HN 0.140 nan 8.180 nan 0.000 0.603 431 K N 0.103 120.594 120.400 0.152 0.000 2.281 431 K HA 0.666 4.986 4.320 -0.000 0.000 0.242 431 K C -1.335 175.300 176.600 0.058 0.000 0.971 431 K CA -0.919 55.397 56.287 0.048 0.000 0.834 431 K CB 2.077 34.556 32.500 -0.034 0.000 1.181 431 K HN 0.084 nan 8.250 nan 0.000 0.435 432 V N 2.473 122.404 119.914 0.028 0.000 2.443 432 V HA 0.119 4.239 4.120 -0.000 0.000 0.272 432 V C -0.717 175.393 176.094 0.026 0.000 1.002 432 V CA -0.846 61.480 62.300 0.044 0.000 0.840 432 V CB 1.001 32.854 31.823 0.050 0.000 1.042 432 V HN 0.720 nan 8.190 nan 0.000 0.446 433 E N 4.869 125.096 120.200 0.045 0.000 2.606 433 E HA 0.085 4.434 4.350 -0.000 0.000 0.248 433 E C 0.265 176.877 176.600 0.021 0.000 1.005 433 E CA 0.236 56.672 56.400 0.060 0.000 0.946 433 E CB 0.713 30.516 29.700 0.172 0.000 0.928 433 E HN 0.750 nan 8.360 nan 0.000 0.494 434 R N 2.426 122.945 120.500 0.031 0.000 2.960 434 R HA 0.447 4.787 4.340 -0.000 0.000 0.249 434 R C 0.009 176.296 176.300 -0.022 0.000 1.192 434 R CA -0.905 55.177 56.100 -0.030 0.000 1.035 434 R CB 0.823 31.157 30.300 0.056 0.000 1.234 434 R HN 0.380 nan 8.270 nan 0.000 0.493 435 H N 0.279 119.396 119.070 0.079 0.000 2.615 435 H HA 0.166 4.722 4.556 -0.000 0.000 0.363 435 H C 0.428 175.840 175.328 0.140 0.000 1.148 435 H CA -0.236 55.876 56.048 0.106 0.000 1.401 435 H CB 0.723 30.521 29.762 0.060 0.000 1.461 435 H HN 0.278 nan 8.280 nan 0.000 0.588 436 I N 2.848 123.606 120.570 0.314 0.000 2.710 436 I HA -0.052 4.118 4.170 -0.000 0.000 0.286 436 I C 0.934 177.182 176.117 0.218 0.000 1.181 436 I CA 0.787 62.217 61.300 0.216 0.000 1.430 436 I CB -0.330 37.786 38.000 0.192 0.000 1.367 436 I HN 0.397 nan 8.210 nan 0.000 0.577 437 M N 3.170 122.847 119.600 0.127 0.000 2.755 437 M HA 0.329 4.809 4.480 -0.000 0.000 0.298 437 M C -0.552 175.795 176.300 0.078 0.000 1.251 437 M CA -1.113 54.266 55.300 0.131 0.000 0.817 437 M CB 1.356 34.001 32.600 0.074 0.000 1.760 437 M HN 0.287 nan 8.290 nan 0.000 0.473 438 D N 2.217 122.666 120.400 0.080 0.000 2.479 438 D HA 0.061 4.701 4.640 -0.000 0.000 0.257 438 D C -0.194 176.112 176.300 0.009 0.000 1.230 438 D CA 1.354 55.377 54.000 0.037 0.000 0.912 438 D CB -0.134 40.686 40.800 0.033 0.000 1.130 438 D HN 0.606 nan 8.370 nan 0.000 0.515 439 N N 1.185 119.882 118.700 -0.005 0.000 3.041 439 N HA -0.147 4.593 4.740 -0.000 0.000 0.238 439 N C -1.289 174.196 175.510 -0.041 0.000 1.005 439 N CA 0.279 53.317 53.050 -0.020 0.000 0.919 439 N CB -0.696 37.780 38.487 -0.017 0.000 1.104 439 N HN 0.374 nan 8.380 nan 0.000 0.551 440 D N 1.304 121.675 120.400 -0.049 0.000 2.312 440 D HA 0.206 4.846 4.640 -0.000 0.000 0.252 440 D C -2.087 174.171 176.300 -0.071 0.000 1.150 440 D CA -1.021 52.917 54.000 -0.103 0.000 0.870 440 D CB 0.762 41.489 40.800 -0.122 0.000 1.153 440 D HN 0.154 nan 8.370 nan 0.000 0.457 441 P HA 0.061 nan 4.420 nan 0.000 0.276 441 P C -0.546 176.736 177.300 -0.030 0.000 1.230 441 P CA -0.349 62.724 63.100 -0.045 0.000 0.776 441 P CB 1.049 32.720 31.700 -0.047 0.000 0.888 442 V N 1.287 121.197 119.914 -0.007 0.000 3.078 442 V HA 0.465 4.585 4.120 -0.000 0.000 0.311 442 V C -0.706 175.406 176.094 0.030 0.000 1.138 442 V CA -1.223 61.091 62.300 0.023 0.000 1.007 442 V CB 2.493 34.336 31.823 0.032 0.000 1.045 442 V HN 0.398 nan 8.190 nan 0.000 0.432 443 L N 3.018 124.285 121.223 0.072 0.000 2.265 443 L HA 0.557 4.897 4.340 -0.000 0.000 0.288 443 L C -1.222 175.728 176.870 0.133 0.000 1.058 443 L CA -0.078 54.812 54.840 0.084 0.000 0.809 443 L CB 1.039 43.167 42.059 0.115 0.000 1.179 443 L HN 0.853 nan 8.230 nan 0.000 0.429 444 F N 6.533 126.419 119.950 -0.107 0.000 2.470 444 F HA 0.540 5.067 4.527 -0.000 0.000 0.329 444 F C 0.054 175.755 175.800 -0.166 0.000 1.072 444 F CA -0.676 57.220 58.000 -0.172 0.000 0.989 444 F CB 1.421 40.413 39.000 -0.014 0.000 1.193 444 F HN 0.624 nan 8.300 nan 0.000 0.481 445 N N 3.298 121.575 118.700 -0.705 0.000 2.859 445 N HA 0.281 5.021 4.740 -0.000 0.000 0.250 445 N C -2.192 172.965 175.510 -0.588 0.000 1.341 445 N CA -0.715 52.053 53.050 -0.471 0.000 0.881 445 N CB 2.202 40.615 38.487 -0.124 0.000 1.516 445 N HN 0.812 nan 8.380 nan 0.000 0.503 446 R N 1.822 122.144 120.500 -0.296 0.000 2.483 446 R HA 0.328 4.668 4.340 -0.000 0.000 0.303 446 R C -0.909 175.354 176.300 -0.062 0.000 0.987 446 R CA -0.387 55.592 56.100 -0.201 0.000 0.881 446 R CB 1.220 31.437 30.300 -0.139 0.000 1.177 446 R HN 0.561 nan 8.270 nan 0.000 0.451 447 Q N 4.503 124.265 119.800 -0.062 0.000 2.340 447 Q HA 0.290 4.630 4.340 -0.000 0.000 0.249 447 Q C -1.922 174.068 176.000 -0.018 0.000 0.957 447 Q CA -1.819 53.968 55.803 -0.026 0.000 0.882 447 Q CB 0.862 29.587 28.738 -0.022 0.000 1.235 447 Q HN 0.497 nan 8.270 nan 0.000 0.439 448 P HA 0.026 nan 4.420 nan 0.000 0.271 448 P C -1.026 176.270 177.300 -0.007 0.000 1.216 448 P CA -0.124 62.969 63.100 -0.013 0.000 0.771 448 P CB 0.892 32.580 31.700 -0.020 0.000 0.864 449 S N 3.056 118.752 115.700 -0.006 0.000 2.430 449 S HA 0.349 4.819 4.470 -0.000 0.000 0.289 449 S C 0.315 174.902 174.600 -0.022 0.000 1.143 449 S CA -0.394 57.809 58.200 0.006 0.000 1.067 449 S CB 0.024 63.231 63.200 0.012 0.000 0.964 449 S HN 0.350 nan 8.310 nan 0.000 0.485 450 L N 1.833 123.034 121.223 -0.036 0.000 3.313 450 L HA 0.532 4.872 4.340 -0.000 0.000 0.339 450 L C -0.401 176.381 176.870 -0.147 0.000 1.309 450 L CA -0.186 54.590 54.840 -0.106 0.000 0.867 450 L CB -1.222 40.741 42.059 -0.160 0.000 1.316 450 L HN 0.637 nan 8.230 nan 0.000 0.604 451 H N -1.145 117.889 119.070 -0.060 0.000 3.017 451 H HA 0.421 4.977 4.556 -0.000 0.000 0.346 451 H C 0.219 175.504 175.328 -0.072 0.000 1.286 451 H CA -0.775 55.228 56.048 -0.076 0.000 1.120 451 H CB 2.553 32.270 29.762 -0.074 0.000 1.860 451 H HN -0.062 nan 8.280 nan 0.000 0.542 452 K N 1.028 121.468 120.400 0.067 0.000 2.026 452 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 452 K C 1.361 177.946 176.600 -0.026 0.000 1.048 452 K CA 1.815 58.093 56.287 -0.016 0.000 0.929 452 K CB -0.032 32.431 32.500 -0.061 0.000 0.713 452 K HN 0.464 nan 8.250 nan 0.000 0.439 453 M N 0.601 120.142 119.600 -0.099 0.000 2.629 453 M HA -0.082 4.398 4.480 -0.000 0.000 0.257 453 M C 1.737 177.979 176.300 -0.096 0.000 1.071 453 M CA 0.980 56.163 55.300 -0.195 0.000 1.077 453 M CB -0.055 32.289 32.600 -0.426 0.000 1.423 453 M HN -0.113 nan 8.290 nan 0.000 0.508 454 S N -0.146 115.603 115.700 0.082 0.000 2.515 454 S HA 0.182 4.652 4.470 -0.000 0.000 0.231 454 S C 0.629 175.385 174.600 0.259 0.000 0.987 454 S CA 0.706 59.019 58.200 0.188 0.000 0.936 454 S CB -0.063 63.222 63.200 0.143 0.000 0.766 454 S HN 0.426 nan 8.310 nan 0.000 0.528 455 M N 1.221 120.921 119.600 0.167 0.000 2.165 455 M HA 0.454 4.934 4.480 -0.000 0.000 0.283 455 M C -1.147 175.219 176.300 0.110 0.000 0.978 455 M CA 0.162 55.565 55.300 0.170 0.000 0.948 455 M CB 1.956 34.605 32.600 0.082 0.000 1.599 455 M HN 0.055 nan 8.290 nan 0.000 0.450 456 M N 1.524 121.219 119.600 0.158 0.000 2.658 456 M HA 0.817 5.297 4.480 -0.000 0.000 0.295 456 M C -0.538 175.654 176.300 -0.179 0.000 1.248 456 M CA -0.851 54.420 55.300 -0.049 0.000 0.843 456 M CB 2.610 35.131 32.600 -0.131 0.000 1.749 456 M HN 0.710 nan 8.290 nan 0.000 0.464 457 A N 0.740 123.424 122.820 -0.225 0.000 2.306 457 A HA 0.731 5.051 4.320 -0.000 0.000 0.314 457 A C -1.090 176.291 177.584 -0.338 0.000 1.164 457 A CA -0.465 51.447 52.037 -0.208 0.000 0.822 457 A CB 0.383 19.326 19.000 -0.095 0.000 1.130 457 A HN 0.822 nan 8.150 nan 0.000 0.496 458 H N 0.719 119.783 119.070 -0.009 0.000 2.855 458 H HA 0.438 4.994 4.556 -0.000 0.000 0.363 458 H C -0.522 174.761 175.328 -0.076 0.000 1.185 458 H CA -0.674 55.337 56.048 -0.063 0.000 1.174 458 H CB 1.309 30.977 29.762 -0.157 0.000 1.857 458 H HN 0.698 nan 8.280 nan 0.000 0.565 459 R N 0.575 121.121 120.500 0.077 0.000 2.308 459 R HA 0.327 4.667 4.340 -0.000 0.000 0.305 459 R C -0.369 175.919 176.300 -0.020 0.000 1.053 459 R CA -0.627 55.478 56.100 0.009 0.000 0.957 459 R CB 1.156 31.455 30.300 -0.001 0.000 1.022 459 R HN 0.151 nan 8.270 nan 0.000 0.461 460 V N 3.996 123.895 119.914 -0.024 0.000 2.530 460 V HA 0.103 4.223 4.120 -0.000 0.000 0.282 460 V C 0.126 176.204 176.094 -0.026 0.000 1.048 460 V CA 0.225 62.505 62.300 -0.033 0.000 0.997 460 V CB 1.187 33.006 31.823 -0.007 0.000 0.987 460 V HN 0.502 nan 8.190 nan 0.000 0.477 461 K N 5.009 125.384 120.400 -0.041 0.000 2.616 461 K HA 0.343 4.663 4.320 -0.000 0.000 0.241 461 K C -1.073 175.506 176.600 -0.036 0.000 0.961 461 K CA -0.485 55.782 56.287 -0.033 0.000 0.942 461 K CB 1.512 33.984 32.500 -0.047 0.000 1.153 461 K HN 0.443 nan 8.250 nan 0.000 0.452 462 V N 6.143 126.037 119.914 -0.035 0.000 2.529 462 V HA 0.210 4.330 4.120 -0.000 0.000 0.292 462 V C 0.865 176.906 176.094 -0.088 0.000 1.028 462 V CA -0.128 62.117 62.300 -0.092 0.000 1.074 462 V CB -0.428 31.277 31.823 -0.195 0.000 0.958 462 V HN 0.583 nan 8.190 nan 0.000 0.481 463 I N 3.233 123.754 120.570 -0.082 0.000 3.074 463 I HA 0.747 4.917 4.170 -0.000 0.000 0.310 463 I C -2.574 173.511 176.117 -0.053 0.000 1.153 463 I CA -2.533 58.739 61.300 -0.046 0.000 0.993 463 I CB 2.488 40.484 38.000 -0.008 0.000 1.237 463 I HN 0.362 nan 8.210 nan 0.000 0.443 464 P HA 0.218 nan 4.420 nan 0.000 0.302 464 P C -0.783 176.527 177.300 0.017 0.000 1.301 464 P CA 0.333 63.375 63.100 -0.096 0.000 0.745 464 P CB 0.280 31.874 31.700 -0.177 0.000 1.331 465 Y N -2.939 117.314 120.300 -0.079 0.000 2.537 465 Y HA -0.238 4.312 4.550 -0.000 0.000 0.382 465 Y C 1.436 177.274 175.900 -0.103 0.000 1.683 465 Y CA 1.119 59.170 58.100 -0.081 0.000 1.418 465 Y CB -2.140 36.276 38.460 -0.073 0.000 2.033 465 Y HN 0.252 nan 8.280 nan 0.000 0.268 466 S N -0.361 115.379 115.700 0.066 0.000 2.561 466 S HA 0.309 4.779 4.470 -0.000 0.000 0.245 466 S C -0.297 174.221 174.600 -0.137 0.000 1.001 466 S CA 0.186 58.349 58.200 -0.062 0.000 1.002 466 S CB -0.163 62.996 63.200 -0.068 0.000 0.805 466 S HN 0.690 nan 8.310 nan 0.000 0.458 467 T N -0.783 113.704 114.554 -0.111 0.000 2.886 467 T HA 0.617 4.967 4.350 -0.000 0.000 0.292 467 T C -0.315 174.326 174.700 -0.099 0.000 1.012 467 T CA -0.742 61.261 62.100 -0.160 0.000 0.982 467 T CB 0.525 69.336 68.868 -0.096 0.000 1.018 467 T HN 0.135 nan 8.240 nan 0.000 0.451 468 F N 2.192 122.146 119.950 0.007 0.000 2.590 468 F HA 0.185 4.712 4.527 -0.000 0.000 0.389 468 F C 1.568 177.329 175.800 -0.066 0.000 1.049 468 F CA -0.365 57.632 58.000 -0.006 0.000 1.199 468 F CB 0.458 39.571 39.000 0.189 0.000 1.058 468 F HN 0.276 nan 8.300 nan 0.000 0.556 469 R N 5.721 126.252 120.500 0.052 0.000 2.288 469 R HA 0.476 4.815 4.340 -0.000 0.000 0.326 469 R C -0.923 175.306 176.300 -0.118 0.000 0.959 469 R CA -0.830 55.231 56.100 -0.066 0.000 0.834 469 R CB 1.184 31.434 30.300 -0.084 0.000 1.157 469 R HN 0.590 nan 8.270 nan 0.000 0.470 470 L N -0.421 120.754 121.223 -0.081 0.000 2.322 470 L HA 0.593 4.933 4.340 -0.000 0.000 0.269 470 L C 0.098 176.966 176.870 -0.004 0.000 1.012 470 L CA -1.144 53.636 54.840 -0.100 0.000 0.815 470 L CB 1.194 43.275 42.059 0.036 0.000 1.295 470 L HN 0.321 nan 8.230 nan 0.000 0.438 471 N N 1.103 119.787 118.700 -0.027 0.000 2.453 471 N HA 0.124 4.864 4.740 -0.000 0.000 0.253 471 N C 0.663 176.242 175.510 0.114 0.000 1.252 471 N CA 0.052 53.118 53.050 0.027 0.000 0.917 471 N CB 1.161 39.638 38.487 -0.017 0.000 1.117 471 N HN 0.894 nan 8.380 nan 0.000 0.442 472 L N 1.618 122.922 121.223 0.134 0.000 2.027 472 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 472 L C 2.351 179.283 176.870 0.103 0.000 1.074 472 L CA 1.070 56.013 54.840 0.171 0.000 0.745 472 L CB -0.439 41.718 42.059 0.163 0.000 0.898 472 L HN 0.550 nan 8.230 nan 0.000 0.433 473 S N -0.935 114.800 115.700 0.057 0.000 2.419 473 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 473 S C 1.527 176.079 174.600 -0.080 0.000 1.019 473 S CA 0.950 59.152 58.200 0.002 0.000 0.982 473 S CB -0.184 63.003 63.200 -0.022 0.000 0.789 473 S HN 0.269 nan 8.310 nan 0.000 0.490 474 V N 1.827 121.700 119.914 -0.068 0.000 3.490 474 V HA 0.060 4.180 4.120 -0.000 0.000 0.315 474 V C 1.746 177.875 176.094 0.058 0.000 1.284 474 V CA 0.898 63.161 62.300 -0.062 0.000 1.233 474 V CB -0.707 31.137 31.823 0.034 0.000 1.101 474 V HN 0.501 nan 8.190 nan 0.000 0.425 475 T N 0.019 114.617 114.554 0.073 0.000 2.755 475 T HA -0.131 4.218 4.350 -0.000 0.000 0.251 475 T C 2.218 176.944 174.700 0.044 0.000 1.044 475 T CA 1.900 64.068 62.100 0.112 0.000 1.154 475 T CB -0.172 68.719 68.868 0.037 0.000 0.866 475 T HN 0.804 nan 8.240 nan 0.000 0.416 476 S N 1.770 117.463 115.700 -0.011 0.000 2.420 476 S HA -0.056 4.413 4.470 -0.000 0.000 0.237 476 S C -0.696 173.875 174.600 -0.048 0.000 1.023 476 S CA 1.221 59.407 58.200 -0.023 0.000 0.991 476 S CB -1.658 61.528 63.200 -0.023 0.000 0.792 476 S HN 0.455 nan 8.310 nan 0.000 0.488 477 P HA 0.041 nan 4.420 nan 0.000 0.215 477 P C 0.917 178.122 177.300 -0.158 0.000 1.157 477 P CA 0.940 63.886 63.100 -0.256 0.000 0.856 477 P CB -0.196 31.235 31.700 -0.447 0.000 0.786 478 Y N -1.509 118.799 120.300 0.012 0.000 2.439 478 Y HA -0.019 4.531 4.550 -0.000 0.000 0.292 478 Y C 0.787 176.695 175.900 0.012 0.000 1.130 478 Y CA 0.239 58.350 58.100 0.018 0.000 1.254 478 Y CB -0.370 38.105 38.460 0.025 0.000 1.000 478 Y HN -0.006 nan 8.280 nan 0.000 0.554 479 N N 0.602 119.379 118.700 0.128 0.000 2.621 479 N HA -0.171 4.569 4.740 -0.000 0.000 0.269 479 N C -1.278 174.259 175.510 0.044 0.000 1.154 479 N CA 0.617 53.704 53.050 0.062 0.000 0.696 479 N CB -0.906 37.615 38.487 0.056 0.000 0.878 479 N HN 0.358 nan 8.380 nan 0.000 0.550 480 A N 1.998 124.827 122.820 0.015 0.000 2.539 480 A HA 0.708 5.028 4.320 -0.000 0.000 0.296 480 A C -0.938 176.524 177.584 -0.204 0.000 1.073 480 A CA -0.265 51.747 52.037 -0.041 0.000 0.700 480 A CB 1.367 20.384 19.000 0.028 0.000 1.296 480 A HN 0.596 nan 8.150 nan 0.000 0.405 481 D N -0.972 119.294 120.400 -0.224 0.000 2.450 481 D HA 0.595 5.235 4.640 -0.000 0.000 0.238 481 D C -0.468 175.653 176.300 -0.298 0.000 1.020 481 D CA -0.576 53.203 54.000 -0.368 0.000 1.010 481 D CB 0.743 41.443 40.800 -0.167 0.000 1.342 481 D HN 0.298 nan 8.370 nan 0.000 0.530 482 F N -0.646 119.323 119.950 0.032 0.000 2.641 482 F HA 0.113 4.639 4.527 -0.000 0.000 0.302 482 F C 0.992 176.802 175.800 0.017 0.000 1.098 482 F CA -0.710 57.307 58.000 0.028 0.000 1.318 482 F CB 0.243 39.260 39.000 0.029 0.000 1.035 482 F HN 0.293 nan 8.300 nan 0.000 0.551 483 D N 0.297 120.769 120.400 0.121 0.000 2.387 483 D HA 0.053 4.693 4.640 -0.000 0.000 0.257 483 D C 1.506 177.846 176.300 0.066 0.000 1.198 483 D CA 0.763 54.808 54.000 0.074 0.000 0.945 483 D CB -0.458 40.359 40.800 0.028 0.000 0.907 483 D HN 0.363 nan 8.370 nan 0.000 0.518 484 G N -0.310 108.546 108.800 0.093 0.000 2.141 484 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.164 484 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.164 484 G C -0.627 174.310 174.900 0.061 0.000 1.009 484 G CA -0.375 44.764 45.100 0.065 0.000 0.677 484 G HN 0.361 nan 8.290 nan 0.000 0.508 485 D N 0.874 121.326 120.400 0.086 0.000 2.302 485 D HA 0.504 5.144 4.640 -0.000 0.000 0.248 485 D C 0.609 176.958 176.300 0.082 0.000 1.094 485 D CA 0.273 54.313 54.000 0.067 0.000 0.897 485 D CB 1.130 41.967 40.800 0.061 0.000 1.200 485 D HN 0.485 nan 8.370 nan 0.000 0.429 486 E N 0.965 121.193 120.200 0.048 0.000 2.212 486 E HA 0.563 4.913 4.350 -0.000 0.000 0.270 486 E C -0.252 176.352 176.600 0.007 0.000 0.956 486 E CA -0.684 55.747 56.400 0.053 0.000 0.825 486 E CB 1.941 31.660 29.700 0.033 0.000 1.167 486 E HN 0.257 nan 8.360 nan 0.000 0.400 487 M N 1.453 121.067 119.600 0.024 0.000 2.550 487 M HA 0.380 4.860 4.480 -0.000 0.000 0.292 487 M C -1.133 175.038 176.300 -0.215 0.000 1.221 487 M CA -1.033 54.130 55.300 -0.228 0.000 0.873 487 M CB 2.166 34.420 32.600 -0.577 0.000 1.727 487 M HN 0.358 nan 8.290 nan 0.000 0.459 488 N N 1.774 120.223 118.700 -0.418 0.000 2.456 488 N HA 0.695 5.435 4.740 -0.000 0.000 0.296 488 N C -1.569 173.613 175.510 -0.547 0.000 1.102 488 N CA -0.486 52.345 53.050 -0.365 0.000 0.924 488 N CB 1.870 40.167 38.487 -0.316 0.000 1.186 488 N HN 0.455 nan 8.380 nan 0.000 0.492 489 L N 2.315 123.293 121.223 -0.408 0.000 2.381 489 L HA 0.447 4.787 4.340 -0.000 0.000 0.274 489 L C -1.233 175.454 176.870 -0.305 0.000 0.988 489 L CA -0.456 54.224 54.840 -0.266 0.000 0.824 489 L CB 1.046 43.002 42.059 -0.171 0.000 1.263 489 L HN 0.502 nan 8.230 nan 0.000 0.410 490 H N 3.935 123.049 119.070 0.074 0.000 2.524 490 H HA 0.604 5.160 4.556 -0.000 0.000 0.353 490 H C -1.004 174.387 175.328 0.104 0.000 1.136 490 H CA -0.660 55.445 56.048 0.094 0.000 1.193 490 H CB 2.406 32.206 29.762 0.064 0.000 1.558 490 H HN 0.416 nan 8.280 nan 0.000 0.515 491 V N 5.978 126.057 119.914 0.274 0.000 2.384 491 V HA 0.182 4.302 4.120 -0.000 0.000 0.287 491 V C -1.669 174.511 176.094 0.144 0.000 1.020 491 V CA -1.515 60.908 62.300 0.206 0.000 0.850 491 V CB 1.711 33.697 31.823 0.270 0.000 0.987 491 V HN 0.670 nan 8.190 nan 0.000 0.436 492 P HA 0.027 nan 4.420 nan 0.000 0.273 492 P C -0.477 176.867 177.300 0.074 0.000 1.252 492 P CA 0.288 63.425 63.100 0.062 0.000 0.809 492 P CB 1.353 33.083 31.700 0.050 0.000 1.017 493 Q N -1.773 118.061 119.800 0.056 0.000 2.225 493 Q HA 0.171 4.511 4.340 -0.000 0.000 0.230 493 Q C 0.066 176.060 176.000 -0.011 0.000 0.729 493 Q CA 0.347 56.131 55.803 -0.032 0.000 0.918 493 Q CB 0.252 28.832 28.738 -0.264 0.000 1.262 493 Q HN 0.376 nan 8.270 nan 0.000 0.473 494 S N 0.639 116.355 115.700 0.025 0.000 2.578 494 S HA 0.166 4.636 4.470 -0.000 0.000 0.283 494 S C 0.504 175.165 174.600 0.102 0.000 1.195 494 S CA -0.392 57.821 58.200 0.021 0.000 1.050 494 S CB 1.538 64.733 63.200 -0.007 0.000 1.012 494 S HN 0.223 nan 8.310 nan 0.000 0.511 495 E N 2.056 122.319 120.200 0.106 0.000 2.267 495 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 495 E C 1.640 178.284 176.600 0.073 0.000 0.998 495 E CA 1.736 58.212 56.400 0.128 0.000 0.830 495 E CB 0.011 29.776 29.700 0.107 0.000 0.751 495 E HN 0.820 nan 8.360 nan 0.000 0.491 496 E N -1.996 118.233 120.200 0.049 0.000 2.250 496 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 496 E C 1.874 178.487 176.600 0.022 0.000 0.986 496 E CA 0.987 57.406 56.400 0.032 0.000 0.849 496 E CB -0.288 29.425 29.700 0.023 0.000 0.797 496 E HN -0.018 nan 8.360 nan 0.000 0.482 497 T N 1.451 116.020 114.554 0.024 0.000 2.674 497 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 497 T C 1.788 176.497 174.700 0.015 0.000 1.039 497 T CA 1.947 64.055 62.100 0.013 0.000 1.150 497 T CB -0.176 68.700 68.868 0.014 0.000 0.864 497 T HN 0.262 nan 8.240 nan 0.000 0.427 498 R N 1.682 122.198 120.500 0.028 0.000 2.112 498 R HA -0.103 4.237 4.340 -0.000 0.000 0.242 498 R C 2.732 179.031 176.300 -0.003 0.000 1.137 498 R CA 1.517 57.619 56.100 0.003 0.000 0.944 498 R CB -1.024 29.266 30.300 -0.016 0.000 0.857 498 R HN 0.360 nan 8.270 nan 0.000 0.435 499 A N 1.774 124.598 122.820 0.007 0.000 1.929 499 A HA -0.310 4.010 4.320 -0.000 0.000 0.221 499 A C 2.102 179.685 177.584 -0.001 0.000 1.211 499 A CA 2.172 54.213 52.037 0.006 0.000 0.657 499 A CB -0.670 18.340 19.000 0.017 0.000 0.827 499 A HN 0.522 nan 8.150 nan 0.000 0.462 500 E N -0.872 119.326 120.200 -0.003 0.000 2.153 500 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 500 E C 1.961 178.549 176.600 -0.020 0.000 0.988 500 E CA 0.958 57.351 56.400 -0.012 0.000 0.811 500 E CB -0.187 29.503 29.700 -0.017 0.000 0.746 500 E HN 0.697 nan 8.360 nan 0.000 0.466 501 L N 0.316 121.528 121.223 -0.018 0.000 2.049 501 L HA -0.134 4.206 4.340 -0.000 0.000 0.203 501 L C 2.639 179.490 176.870 -0.031 0.000 1.074 501 L CA 1.256 56.081 54.840 -0.024 0.000 0.749 501 L CB -0.358 41.690 42.059 -0.018 0.000 0.907 501 L HN 0.148 nan 8.230 nan 0.000 0.439 502 S N -1.286 114.398 115.700 -0.026 0.000 2.423 502 S HA -0.181 4.289 4.470 -0.000 0.000 0.231 502 S C 1.852 176.438 174.600 -0.024 0.000 1.014 502 S CA 0.749 58.934 58.200 -0.026 0.000 0.965 502 S CB -0.189 62.998 63.200 -0.022 0.000 0.785 502 S HN 0.296 nan 8.310 nan 0.000 0.495 503 Q N -0.108 119.680 119.800 -0.021 0.000 2.408 503 Q HA 0.444 4.784 4.340 -0.000 0.000 0.205 503 Q C 0.978 176.958 176.000 -0.033 0.000 0.919 503 Q CA 0.537 56.327 55.803 -0.021 0.000 0.932 503 Q CB 0.192 28.923 28.738 -0.012 0.000 1.058 503 Q HN 0.570 nan 8.270 nan 0.000 0.517 504 L N -3.279 117.920 121.223 -0.039 0.000 3.154 504 L HA 0.153 4.493 4.340 -0.000 0.000 0.280 504 L C 1.075 177.912 176.870 -0.055 0.000 1.134 504 L CA 0.319 55.129 54.840 -0.051 0.000 1.037 504 L CB 0.312 42.339 42.059 -0.053 0.000 1.571 504 L HN -0.001 nan 8.230 nan 0.000 0.576 505 C N 0.492 119.761 119.300 -0.052 0.000 2.912 505 C HA 0.600 5.060 4.460 -0.000 0.000 0.274 505 C C 1.531 176.473 174.990 -0.079 0.000 1.248 505 C CA -0.633 58.348 59.018 -0.061 0.000 1.694 505 C CB -0.551 27.160 27.740 -0.049 0.000 2.024 505 C HN 0.378 nan 8.230 nan 0.000 0.605 506 A N 1.084 123.863 122.820 -0.069 0.000 2.540 506 A HA 0.305 4.625 4.320 -0.000 0.000 0.239 506 A C 1.441 178.976 177.584 -0.082 0.000 1.061 506 A CA 0.287 52.279 52.037 -0.074 0.000 0.758 506 A CB 0.281 19.255 19.000 -0.044 0.000 0.991 506 A HN 0.255 nan 8.150 nan 0.000 0.502 507 V N 3.966 123.823 119.914 -0.094 0.000 2.278 507 V HA -0.225 3.895 4.120 -0.000 0.000 0.251 507 V C -0.299 175.749 176.094 -0.077 0.000 1.062 507 V CA 2.803 65.049 62.300 -0.089 0.000 1.038 507 V CB -1.569 30.242 31.823 -0.020 0.000 0.646 507 V HN 0.837 nan 8.190 nan 0.000 0.447 508 P HA -0.156 nan 4.420 nan 0.000 0.217 508 P C 1.762 179.049 177.300 -0.023 0.000 1.148 508 P CA 1.423 64.509 63.100 -0.023 0.000 0.828 508 P CB -0.067 31.633 31.700 0.001 0.000 0.783 509 L N -1.336 119.864 121.223 -0.038 0.000 2.240 509 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 509 L C 2.126 178.960 176.870 -0.061 0.000 1.106 509 L CA 0.956 55.771 54.840 -0.040 0.000 0.793 509 L CB -0.696 41.337 42.059 -0.044 0.000 0.927 509 L HN -0.083 nan 8.230 nan 0.000 0.446 510 Q N -0.059 119.690 119.800 -0.085 0.000 2.472 510 Q HA 0.025 4.365 4.340 -0.000 0.000 0.208 510 Q C 2.146 178.079 176.000 -0.112 0.000 0.958 510 Q CA 0.700 56.434 55.803 -0.115 0.000 0.932 510 Q CB -0.052 28.591 28.738 -0.159 0.000 1.007 510 Q HN 0.571 nan 8.270 nan 0.000 0.508 511 I N -0.280 120.247 120.570 -0.072 0.000 2.185 511 I HA -0.200 3.970 4.170 -0.000 0.000 0.246 511 I C 0.706 176.806 176.117 -0.029 0.000 1.088 511 I CA 0.952 62.232 61.300 -0.034 0.000 1.347 511 I CB -0.122 37.906 38.000 0.046 0.000 1.041 511 I HN -0.123 nan 8.210 nan 0.000 0.415 512 V N 1.830 121.724 119.914 -0.034 0.000 2.304 512 V HA 0.123 4.242 4.120 -0.000 0.000 0.269 512 V C 0.310 176.356 176.094 -0.080 0.000 1.036 512 V CA -0.274 62.000 62.300 -0.044 0.000 0.840 512 V CB 1.062 32.882 31.823 -0.005 0.000 1.036 512 V HN 0.250 nan 8.190 nan 0.000 0.466 513 S N 8.183 123.824 115.700 -0.098 0.000 2.505 513 S HA 0.318 4.788 4.470 -0.000 0.000 0.276 513 S C -0.813 173.751 174.600 -0.059 0.000 1.274 513 S CA -1.082 57.059 58.200 -0.099 0.000 1.053 513 S CB 1.237 64.358 63.200 -0.132 0.000 0.919 513 S HN 0.638 nan 8.310 nan 0.000 0.490 514 P HA -0.090 nan 4.420 nan 0.000 0.231 514 P C 0.985 178.377 177.300 0.153 0.000 1.168 514 P CA 0.614 63.750 63.100 0.061 0.000 0.779 514 P CB -0.025 31.729 31.700 0.090 0.000 0.844 515 Q N 1.383 121.220 119.800 0.061 0.000 2.508 515 Q HA -0.053 4.287 4.340 -0.000 0.000 0.214 515 Q C 0.777 176.796 176.000 0.031 0.000 0.979 515 Q CA 1.639 57.470 55.803 0.047 0.000 0.911 515 Q CB -0.625 28.093 28.738 -0.033 0.000 0.969 515 Q HN 0.225 nan 8.270 nan 0.000 0.504 516 S N -0.712 114.953 115.700 -0.058 0.000 2.885 516 S HA 0.101 4.571 4.470 -0.000 0.000 0.238 516 S C -0.531 173.943 174.600 -0.210 0.000 0.766 516 S CA -0.382 57.664 58.200 -0.256 0.000 1.089 516 S CB -1.258 61.802 63.200 -0.235 0.000 1.396 516 S HN 0.572 nan 8.310 nan 0.000 0.509 517 N N 2.089 120.732 118.700 -0.094 0.000 2.730 517 N HA -0.294 4.446 4.740 -0.000 0.000 0.266 517 N C -0.439 175.038 175.510 -0.055 0.000 0.949 517 N CA 1.888 54.924 53.050 -0.024 0.000 0.829 517 N CB -1.641 36.873 38.487 0.044 0.000 0.916 517 N HN 1.019 nan 8.380 nan 0.000 0.558 518 K N -2.977 117.332 120.400 -0.153 0.000 2.579 518 K HA 0.549 4.869 4.320 -0.000 0.000 0.284 518 K C -3.388 173.044 176.600 -0.280 0.000 0.990 518 K CA -1.924 54.147 56.287 -0.360 0.000 0.880 518 K CB 2.079 34.427 32.500 -0.253 0.000 1.488 518 K HN -0.101 nan 8.250 nan 0.000 0.425 519 P HA -0.011 nan 4.420 nan 0.000 0.270 519 P C 0.537 177.781 177.300 -0.094 0.000 1.223 519 P CA -0.295 62.730 63.100 -0.125 0.000 0.785 519 P CB 0.587 32.255 31.700 -0.054 0.000 0.923 520 C N 0.066 119.324 119.300 -0.070 0.000 3.385 520 C HA 0.540 5.000 4.460 -0.000 0.000 0.288 520 C C 0.370 175.317 174.990 -0.071 0.000 1.429 520 C CA -0.441 58.522 59.018 -0.091 0.000 1.778 520 C CB -1.129 26.517 27.740 -0.157 0.000 2.503 520 C HN 0.370 nan 8.230 nan 0.000 0.646 521 M N 1.028 120.623 119.600 -0.009 0.000 2.591 521 M HA 0.672 5.152 4.480 -0.000 0.000 0.306 521 M C 0.449 176.872 176.300 0.205 0.000 1.190 521 M CA 0.325 55.634 55.300 0.015 0.000 0.889 521 M CB 2.340 34.858 32.600 -0.135 0.000 1.728 521 M HN 0.367 nan 8.290 nan 0.000 0.458 522 G N 1.635 110.579 108.800 0.241 0.000 3.354 522 G HA2 0.774 4.734 3.960 -0.000 0.000 0.174 522 G HA3 0.774 4.734 3.960 -0.000 0.000 0.174 522 G C -1.226 173.870 174.900 0.327 0.000 1.140 522 G CA -0.414 44.853 45.100 0.279 0.000 0.897 522 G HN 0.575 nan 8.290 nan 0.000 0.685 523 I N 0.901 121.559 120.570 0.147 0.000 2.571 523 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 523 I C -0.753 175.406 176.117 0.069 0.000 1.115 523 I CA -0.607 60.763 61.300 0.117 0.000 1.045 523 I CB 2.115 40.140 38.000 0.041 0.000 1.238 523 I HN 0.193 nan 8.210 nan 0.000 0.424 524 V N 4.277 124.234 119.914 0.071 0.000 3.145 524 V HA 0.540 4.660 4.120 -0.000 0.000 0.311 524 V C 0.163 176.285 176.094 0.046 0.000 1.238 524 V CA -0.625 61.703 62.300 0.048 0.000 1.066 524 V CB 1.498 33.346 31.823 0.042 0.000 1.144 524 V HN 0.890 nan 8.190 nan 0.000 0.465 525 Q N -0.113 119.711 119.800 0.041 0.000 1.890 525 Q HA -0.348 3.992 4.340 -0.000 0.000 0.435 525 Q C 1.081 177.106 176.000 0.041 0.000 0.839 525 Q CA 1.950 57.784 55.803 0.051 0.000 0.778 525 Q CB -1.531 27.248 28.738 0.069 0.000 3.954 525 Q HN 0.949 nan 8.270 nan 0.000 0.790 526 D N 0.467 120.903 120.400 0.060 0.000 2.355 526 D HA -0.193 4.446 4.640 -0.000 0.000 0.192 526 D C 1.969 178.283 176.300 0.023 0.000 1.014 526 D CA 2.917 56.947 54.000 0.050 0.000 0.862 526 D CB -0.826 40.017 40.800 0.071 0.000 0.986 526 D HN 0.651 nan 8.370 nan 0.000 0.456 527 T N 0.503 115.078 114.554 0.036 0.000 2.680 527 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 527 T C 1.831 176.525 174.700 -0.009 0.000 1.033 527 T CA 1.401 63.514 62.100 0.022 0.000 1.152 527 T CB -0.471 68.423 68.868 0.045 0.000 0.859 527 T HN 0.056 nan 8.240 nan 0.000 0.452 528 L N 0.775 121.994 121.223 -0.006 0.000 1.982 528 L HA 0.065 4.405 4.340 -0.000 0.000 0.206 528 L C 2.793 179.627 176.870 -0.061 0.000 1.078 528 L CA 1.507 56.330 54.840 -0.028 0.000 0.749 528 L CB -1.428 40.624 42.059 -0.011 0.000 0.894 528 L HN 0.440 nan 8.230 nan 0.000 0.436 529 C N 0.377 119.636 119.300 -0.069 0.000 2.336 529 C HA -0.249 4.211 4.460 -0.000 0.000 0.272 529 C C 2.860 177.748 174.990 -0.169 0.000 1.160 529 C CA 1.581 60.511 59.018 -0.147 0.000 1.783 529 C CB -1.678 25.947 27.740 -0.192 0.000 2.050 529 C HN 0.767 nan 8.230 nan 0.000 0.443 530 G N -0.275 108.457 108.800 -0.114 0.000 2.446 530 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.217 530 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.217 530 G C 1.619 176.469 174.900 -0.082 0.000 1.168 530 G CA 0.984 46.069 45.100 -0.025 0.000 0.771 530 G HN 0.711 nan 8.290 nan 0.000 0.551 531 I N 0.524 121.030 120.570 -0.108 0.000 2.399 531 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 531 I C 2.790 178.792 176.117 -0.192 0.000 1.146 531 I CA 1.602 62.802 61.300 -0.167 0.000 1.412 531 I CB -0.069 37.855 38.000 -0.126 0.000 1.076 531 I HN 0.264 nan 8.210 nan 0.000 0.432 532 R N 1.040 121.452 120.500 -0.148 0.000 2.055 532 R HA -0.161 4.179 4.340 -0.000 0.000 0.228 532 R C 2.259 178.472 176.300 -0.145 0.000 1.143 532 R CA 1.328 57.349 56.100 -0.132 0.000 0.945 532 R CB -0.267 29.974 30.300 -0.098 0.000 0.841 532 R HN 0.202 nan 8.270 nan 0.000 0.429 533 K N 0.743 121.075 120.400 -0.113 0.000 2.000 533 K HA -0.229 4.091 4.320 -0.000 0.000 0.218 533 K C 2.138 178.621 176.600 -0.194 0.000 1.053 533 K CA 1.925 58.191 56.287 -0.035 0.000 0.946 533 K CB -0.716 31.879 32.500 0.159 0.000 0.723 533 K HN 0.212 nan 8.250 nan 0.000 0.446 534 L N 1.600 122.452 121.223 -0.619 0.000 2.357 534 L HA -0.214 4.125 4.340 -0.000 0.000 0.220 534 L C 1.991 178.534 176.870 -0.544 0.000 1.123 534 L CA 1.801 55.984 54.840 -1.096 0.000 0.782 534 L CB -0.469 40.730 42.059 -1.434 0.000 0.910 534 L HN 0.158 nan 8.230 nan 0.000 0.442 535 T N -0.512 113.839 114.554 -0.338 0.000 2.781 535 T HA 0.107 4.457 4.350 -0.000 0.000 0.252 535 T C 0.797 175.395 174.700 -0.169 0.000 1.039 535 T CA 0.149 62.109 62.100 -0.234 0.000 1.147 535 T CB -0.227 68.533 68.868 -0.180 0.000 0.865 535 T HN 0.197 nan 8.240 nan 0.000 0.423 536 L N 2.168 123.325 121.223 -0.112 0.000 3.127 536 L HA -0.221 4.119 4.340 -0.000 0.000 0.373 536 L C 1.767 178.601 176.870 -0.061 0.000 1.223 536 L CA 0.206 55.013 54.840 -0.055 0.000 0.806 536 L CB 0.246 42.300 42.059 -0.008 0.000 1.070 536 L HN 0.269 nan 8.230 nan 0.000 0.630 537 R N 1.617 122.104 120.500 -0.023 0.000 2.091 537 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 537 R C 1.581 177.933 176.300 0.087 0.000 1.136 537 R CA 1.799 57.892 56.100 -0.011 0.000 0.959 537 R CB -0.299 30.029 30.300 0.047 0.000 0.856 537 R HN 0.719 nan 8.270 nan 0.000 0.437 538 D N 0.391 120.870 120.400 0.131 0.000 2.158 538 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 538 D C -0.036 176.453 176.300 0.314 0.000 0.995 538 D CA 1.028 55.159 54.000 0.219 0.000 0.846 538 D CB 0.017 40.897 40.800 0.133 0.000 0.941 538 D HN 0.010 nan 8.370 nan 0.000 0.456 539 T N 0.736 115.384 114.554 0.156 0.000 2.738 539 T HA 0.228 4.578 4.350 -0.000 0.000 0.293 539 T C -0.511 174.212 174.700 0.038 0.000 0.913 539 T CA -0.048 62.147 62.100 0.157 0.000 1.103 539 T CB -0.100 68.810 68.868 0.069 0.000 0.880 539 T HN -0.100 nan 8.240 nan 0.000 0.526 540 F N 2.973 122.992 119.950 0.115 0.000 2.508 540 F HA 0.619 5.146 4.527 -0.000 0.000 0.325 540 F C 0.241 176.151 175.800 0.183 0.000 1.090 540 F CA -1.304 56.771 58.000 0.126 0.000 0.945 540 F CB 1.327 40.382 39.000 0.092 0.000 1.156 540 F HN 0.332 nan 8.300 nan 0.000 0.463 541 I N 2.463 123.249 120.570 0.360 0.000 2.465 541 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 541 I C -0.664 175.706 176.117 0.422 0.000 1.014 541 I CA -0.813 60.691 61.300 0.340 0.000 1.093 541 I CB 2.001 40.157 38.000 0.260 0.000 1.267 541 I HN 0.609 nan 8.210 nan 0.000 0.431 542 E N 5.462 125.859 120.200 0.328 0.000 2.242 542 E HA 0.218 4.568 4.350 -0.000 0.000 0.275 542 E C 0.732 177.484 176.600 0.253 0.000 1.002 542 E CA -0.770 55.845 56.400 0.358 0.000 0.841 542 E CB 2.022 31.864 29.700 0.237 0.000 1.109 542 E HN 0.451 nan 8.360 nan 0.000 0.394 543 L N 2.988 124.418 121.223 0.345 0.000 2.107 543 L HA -0.415 3.925 4.340 -0.000 0.000 0.242 543 L C 1.987 178.843 176.870 -0.023 0.000 1.115 543 L CA 3.099 57.983 54.840 0.074 0.000 0.842 543 L CB -0.973 41.228 42.059 0.237 0.000 0.941 543 L HN 0.995 nan 8.230 nan 0.000 0.448 544 D N -1.456 118.979 120.400 0.058 0.000 2.200 544 D HA -0.319 4.320 4.640 -0.000 0.000 0.192 544 D C 1.887 178.220 176.300 0.055 0.000 1.008 544 D CA 2.470 56.502 54.000 0.053 0.000 0.872 544 D CB -0.604 40.240 40.800 0.073 0.000 0.923 544 D HN 0.766 nan 8.370 nan 0.000 0.447 545 Q N -0.252 119.586 119.800 0.063 0.000 2.084 545 Q HA 0.034 4.374 4.340 -0.000 0.000 0.194 545 Q C 2.673 178.689 176.000 0.026 0.000 0.969 545 Q CA 0.541 56.407 55.803 0.105 0.000 0.829 545 Q CB 0.085 28.892 28.738 0.116 0.000 0.904 545 Q HN 0.131 nan 8.270 nan 0.000 0.464 546 V N 1.953 121.807 119.914 -0.100 0.000 2.280 546 V HA -0.378 3.742 4.120 -0.000 0.000 0.258 546 V C 2.289 178.181 176.094 -0.337 0.000 1.081 546 V CA 1.935 64.046 62.300 -0.315 0.000 1.070 546 V CB -0.642 30.712 31.823 -0.782 0.000 0.666 546 V HN 0.380 nan 8.190 nan 0.000 0.450 547 L N -0.442 120.610 121.223 -0.285 0.000 2.012 547 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 547 L C 2.488 179.264 176.870 -0.156 0.000 1.073 547 L CA 1.932 56.622 54.840 -0.249 0.000 0.748 547 L CB -0.836 41.138 42.059 -0.141 0.000 0.891 547 L HN 0.415 nan 8.230 nan 0.000 0.431 548 N N -0.024 118.675 118.700 -0.001 0.000 2.058 548 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 548 N C 1.933 177.469 175.510 0.042 0.000 1.037 548 N CA 1.466 54.572 53.050 0.093 0.000 0.848 548 N CB -0.264 38.360 38.487 0.229 0.000 1.021 548 N HN 0.294 nan 8.380 nan 0.000 0.422 549 M N 0.751 120.373 119.600 0.038 0.000 2.089 549 M HA -0.203 4.277 4.480 -0.000 0.000 0.257 549 M C 2.134 178.364 176.300 -0.118 0.000 1.071 549 M CA 1.443 56.732 55.300 -0.018 0.000 1.096 549 M CB -0.529 32.087 32.600 0.027 0.000 1.330 549 M HN 0.118 nan 8.290 nan 0.000 0.403 550 L N -1.434 119.591 121.223 -0.330 0.000 1.990 550 L HA -0.293 4.047 4.340 -0.000 0.000 0.213 550 L C 2.598 179.239 176.870 -0.382 0.000 1.072 550 L CA 1.663 56.085 54.840 -0.697 0.000 0.755 550 L CB -1.139 40.061 42.059 -1.433 0.000 0.889 550 L HN 0.250 nan 8.230 nan 0.000 0.432 551 Y N -0.384 119.706 120.300 -0.351 0.000 2.181 551 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 551 Y C 2.174 178.048 175.900 -0.043 0.000 1.179 551 Y CA 1.228 59.280 58.100 -0.080 0.000 1.179 551 Y CB -0.654 37.763 38.460 -0.071 0.000 0.973 551 Y HN 0.113 nan 8.280 nan 0.000 0.519 552 W N -0.246 120.890 121.300 -0.273 0.000 2.358 552 W HA -0.050 4.610 4.660 -0.000 0.000 0.303 552 W C 0.794 177.187 176.519 -0.209 0.000 1.208 552 W CA 1.523 58.674 57.345 -0.325 0.000 1.274 552 W CB -0.872 28.387 29.460 -0.335 0.000 1.138 552 W HN -0.369 nan 8.180 nan 0.000 0.515 553 V N 4.612 124.581 119.914 0.091 0.000 2.409 553 V HA -0.073 4.047 4.120 -0.000 0.000 0.270 553 V C -0.809 175.327 176.094 0.070 0.000 1.019 553 V CA -0.563 61.783 62.300 0.078 0.000 1.066 553 V CB 0.034 31.902 31.823 0.075 0.000 1.021 553 V HN -0.008 nan 8.190 nan 0.000 0.476 554 P HA -0.136 nan 4.420 nan 0.000 0.221 554 P C 0.502 177.826 177.300 0.039 0.000 1.145 554 P CA 1.155 64.235 63.100 -0.033 0.000 0.795 554 P CB 0.402 32.061 31.700 -0.067 0.000 0.775 555 D N -1.579 118.869 120.400 0.080 0.000 2.491 555 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 555 D C 0.079 176.465 176.300 0.142 0.000 1.183 555 D CA -0.381 53.666 54.000 0.078 0.000 0.827 555 D CB -0.343 40.490 40.800 0.055 0.000 0.989 555 D HN 0.195 nan 8.370 nan 0.000 0.494 556 W N 3.760 125.059 121.300 -0.001 0.000 2.253 556 W HA 0.032 4.692 4.660 -0.000 0.000 0.322 556 W C 1.045 177.576 176.519 0.019 0.000 1.342 556 W CA -0.954 56.400 57.345 0.015 0.000 1.218 556 W CB 0.671 30.150 29.460 0.032 0.000 1.205 556 W HN -0.043 nan 8.180 nan 0.000 0.551 557 D N 3.717 123.895 120.400 -0.370 0.000 2.352 557 D HA 0.020 4.660 4.640 -0.000 0.000 0.232 557 D C 1.305 177.112 176.300 -0.822 0.000 1.055 557 D CA 0.587 54.319 54.000 -0.446 0.000 0.891 557 D CB -0.628 40.059 40.800 -0.188 0.000 0.897 557 D HN 0.811 nan 8.370 nan 0.000 0.529 558 G N 0.057 107.682 108.800 -1.959 0.000 2.314 558 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.292 558 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.292 558 G C -0.051 174.378 174.900 -0.785 0.000 1.059 558 G CA 0.185 44.099 45.100 -1.978 0.000 0.982 558 G HN 0.386 nan 8.290 nan 0.000 0.505 559 V N 2.277 122.012 119.914 -0.297 0.000 2.383 559 V HA 0.257 4.377 4.120 -0.000 0.000 0.264 559 V C 0.939 177.313 176.094 0.468 0.000 1.001 559 V CA -0.811 61.577 62.300 0.148 0.000 0.828 559 V CB 0.765 32.630 31.823 0.070 0.000 1.069 559 V HN 0.515 nan 8.190 nan 0.000 0.451 560 I N 4.499 125.378 120.570 0.515 0.000 3.138 560 I HA 0.046 4.216 4.170 -0.000 0.000 0.286 560 I C -1.247 175.044 176.117 0.291 0.000 1.194 560 I CA -0.812 60.698 61.300 0.350 0.000 1.392 560 I CB -0.593 37.555 38.000 0.248 0.000 1.476 560 I HN 0.342 nan 8.210 nan 0.000 0.579 561 P HA -0.014 nan 4.420 nan 0.000 0.266 561 P C -0.160 177.389 177.300 0.414 0.000 1.193 561 P CA -0.011 63.261 63.100 0.287 0.000 0.770 561 P CB 0.335 32.180 31.700 0.241 0.000 0.836 562 T N 3.405 118.125 114.554 0.276 0.000 2.799 562 T HA 0.217 4.567 4.350 -0.000 0.000 0.296 562 T C -2.102 172.649 174.700 0.085 0.000 0.947 562 T CA -1.089 61.129 62.100 0.196 0.000 1.141 562 T CB -0.782 68.143 68.868 0.095 0.000 0.891 562 T HN 0.347 nan 8.240 nan 0.000 0.533 563 P HA 0.062 nan 4.420 nan 0.000 0.264 563 P C 0.625 177.676 177.300 -0.415 0.000 1.173 563 P CA -0.067 62.492 63.100 -0.901 0.000 0.761 563 P CB 0.395 31.377 31.700 -1.197 0.000 0.794 564 A N 4.149 126.757 122.820 -0.353 0.000 1.855 564 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 564 A C 1.035 178.548 177.584 -0.119 0.000 1.191 564 A CA 1.160 53.114 52.037 -0.137 0.000 0.613 564 A CB -0.679 18.281 19.000 -0.067 0.000 0.829 564 A HN 0.534 nan 8.150 nan 0.000 0.442 565 I N -0.052 120.436 120.570 -0.136 0.000 2.385 565 I HA 0.281 4.451 4.170 -0.000 0.000 0.294 565 I C 0.361 176.363 176.117 -0.192 0.000 0.988 565 I CA -0.050 61.191 61.300 -0.098 0.000 1.265 565 I CB 1.583 39.578 38.000 -0.008 0.000 1.388 565 I HN 0.287 nan 8.210 nan 0.000 0.480 566 I N 4.206 124.697 120.570 -0.130 0.000 4.607 566 I HA -0.016 4.154 4.170 -0.000 0.000 0.324 566 I C 1.734 177.805 176.117 -0.077 0.000 1.279 566 I CA -0.169 61.057 61.300 -0.123 0.000 1.286 566 I CB -0.074 37.869 38.000 -0.095 0.000 1.265 566 I HN 0.542 nan 8.210 nan 0.000 0.446 567 K N 3.368 123.731 120.400 -0.063 0.000 2.436 567 K HA -0.175 4.145 4.320 -0.000 0.000 0.228 567 K C -0.790 175.786 176.600 -0.041 0.000 0.733 567 K CA 1.684 57.943 56.287 -0.047 0.000 0.930 567 K CB -2.443 30.029 32.500 -0.046 0.000 0.423 567 K HN 0.122 nan 8.250 nan 0.000 0.939 568 P HA -0.066 nan 4.420 nan 0.000 0.216 568 P C -0.156 177.129 177.300 -0.025 0.000 1.156 568 P CA 1.249 64.331 63.100 -0.030 0.000 0.855 568 P CB 0.248 31.930 31.700 -0.031 0.000 0.786 569 K N 1.263 121.643 120.400 -0.034 0.000 2.358 569 K HA 0.346 4.666 4.320 -0.000 0.000 0.260 569 K C -2.594 173.978 176.600 -0.047 0.000 0.956 569 K CA -2.698 53.578 56.287 -0.018 0.000 0.834 569 K CB 2.051 34.549 32.500 -0.003 0.000 1.102 569 K HN -0.075 nan 8.250 nan 0.000 0.431 570 P HA 0.077 nan 4.420 nan 0.000 0.271 570 P C -1.091 176.069 177.300 -0.232 0.000 1.233 570 P CA -0.278 62.695 63.100 -0.212 0.000 0.764 570 P CB 0.744 32.328 31.700 -0.194 0.000 0.825 571 L N 4.339 125.388 121.223 -0.290 0.000 2.301 571 L HA 0.624 4.964 4.340 -0.000 0.000 0.264 571 L C -0.179 176.585 176.870 -0.177 0.000 1.016 571 L CA -0.480 54.356 54.840 -0.006 0.000 0.821 571 L CB 1.625 43.824 42.059 0.232 0.000 1.346 571 L HN 0.419 nan 8.230 nan 0.000 0.429 572 W N 0.238 121.632 121.300 0.157 0.000 2.844 572 W HA 0.542 5.202 4.660 -0.000 0.000 0.340 572 W C -0.457 176.002 176.519 -0.100 0.000 1.093 572 W CA -0.748 56.619 57.345 0.036 0.000 1.212 572 W CB 2.298 31.765 29.460 0.012 0.000 1.422 572 W HN 0.484 nan 8.180 nan 0.000 0.515 573 S N 0.038 115.708 115.700 -0.049 0.000 2.585 573 S HA 0.425 4.895 4.470 -0.000 0.000 0.277 573 S C 0.981 175.474 174.600 -0.178 0.000 1.241 573 S CA -0.076 57.920 58.200 -0.341 0.000 1.041 573 S CB 1.880 64.832 63.200 -0.413 0.000 0.987 573 S HN 0.652 nan 8.310 nan 0.000 0.512 574 G N 2.216 110.870 108.800 -0.244 0.000 2.586 574 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 574 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 574 G C 1.234 175.994 174.900 -0.233 0.000 1.216 574 G CA 0.999 45.928 45.100 -0.284 0.000 0.786 574 G HN 0.798 nan 8.290 nan 0.000 0.583 575 K N -0.006 120.267 120.400 -0.213 0.000 2.097 575 K HA -0.286 4.034 4.320 -0.000 0.000 0.214 575 K C 2.589 179.121 176.600 -0.114 0.000 1.052 575 K CA 1.789 57.980 56.287 -0.161 0.000 0.932 575 K CB -0.354 32.065 32.500 -0.135 0.000 0.716 575 K HN 0.405 nan 8.250 nan 0.000 0.455 576 Q N 0.371 120.121 119.800 -0.084 0.000 2.096 576 Q HA -0.211 4.129 4.340 -0.000 0.000 0.208 576 Q C 2.307 178.300 176.000 -0.011 0.000 0.993 576 Q CA 2.159 57.957 55.803 -0.009 0.000 0.862 576 Q CB -0.207 28.583 28.738 0.086 0.000 0.915 576 Q HN 0.599 nan 8.270 nan 0.000 0.416 577 I N -2.716 117.819 120.570 -0.057 0.000 2.731 577 I HA -0.057 4.113 4.170 -0.000 0.000 0.260 577 I C 2.145 178.196 176.117 -0.109 0.000 1.138 577 I CA 0.351 61.596 61.300 -0.092 0.000 1.461 577 I CB -0.330 37.583 38.000 -0.145 0.000 1.128 577 I HN 0.075 nan 8.210 nan 0.000 0.438 578 L N 1.662 122.799 121.223 -0.144 0.000 2.263 578 L HA -0.165 4.175 4.340 -0.000 0.000 0.216 578 L C 2.153 178.964 176.870 -0.098 0.000 1.111 578 L CA 1.875 56.630 54.840 -0.142 0.000 0.773 578 L CB -0.650 41.301 42.059 -0.181 0.000 0.906 578 L HN 0.281 nan 8.230 nan 0.000 0.439 579 S N -1.447 114.205 115.700 -0.081 0.000 2.515 579 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 579 S C 1.808 176.394 174.600 -0.023 0.000 0.987 579 S CA 0.913 59.081 58.200 -0.053 0.000 0.936 579 S CB -0.241 62.933 63.200 -0.043 0.000 0.766 579 S HN 0.388 nan 8.310 nan 0.000 0.528 580 V N 1.600 121.501 119.914 -0.021 0.000 2.667 580 V HA -0.091 4.028 4.120 -0.000 0.000 0.252 580 V C 2.522 178.632 176.094 0.027 0.000 1.065 580 V CA 1.485 63.796 62.300 0.019 0.000 1.083 580 V CB -1.042 30.773 31.823 -0.015 0.000 0.692 580 V HN 0.545 nan 8.190 nan 0.000 0.468 581 A N 0.002 122.817 122.820 -0.008 0.000 1.930 581 A HA 0.111 4.431 4.320 -0.000 0.000 0.215 581 A C 1.242 178.820 177.584 -0.010 0.000 1.176 581 A CA 0.491 52.526 52.037 -0.004 0.000 0.632 581 A CB -0.351 18.632 19.000 -0.028 0.000 0.819 581 A HN 0.495 nan 8.150 nan 0.000 0.445 582 I N 2.912 123.466 120.570 -0.027 0.000 2.494 582 I HA 0.104 4.274 4.170 -0.000 0.000 0.289 582 I C -2.044 174.068 176.117 -0.008 0.000 1.106 582 I CA -1.601 59.681 61.300 -0.031 0.000 1.369 582 I CB 0.512 38.483 38.000 -0.049 0.000 1.410 582 I HN 0.197 nan 8.210 nan 0.000 0.523 583 P HA 0.031 nan 4.420 nan 0.000 0.271 583 P C -0.790 176.517 177.300 0.011 0.000 1.218 583 P CA -0.360 62.747 63.100 0.012 0.000 0.780 583 P CB 0.472 32.181 31.700 0.014 0.000 0.901 584 N N 1.026 119.737 118.700 0.017 0.000 2.345 584 N HA 0.068 4.808 4.740 -0.000 0.000 0.243 584 N C 1.655 177.179 175.510 0.023 0.000 1.246 584 N CA 1.345 54.405 53.050 0.017 0.000 0.863 584 N CB -0.281 38.217 38.487 0.017 0.000 1.096 584 N HN 0.829 nan 8.380 nan 0.000 0.446 585 G N 0.082 108.899 108.800 0.029 0.000 2.358 585 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.224 585 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.224 585 G C 0.346 175.297 174.900 0.085 0.000 1.073 585 G CA -0.173 44.961 45.100 0.057 0.000 0.635 585 G HN 0.504 nan 8.290 nan 0.000 0.509 586 I N 1.703 122.304 120.570 0.051 0.000 3.245 586 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 586 I C 0.793 176.963 176.117 0.088 0.000 1.269 586 I CA 0.793 62.127 61.300 0.057 0.000 1.383 586 I CB 0.022 38.028 38.000 0.009 0.000 1.337 586 I HN 0.376 nan 8.210 nan 0.000 0.599 587 H N 3.026 122.097 119.070 0.003 0.000 3.079 587 H HA 0.593 5.149 4.556 -0.000 0.000 0.356 587 H C -1.751 173.575 175.328 -0.002 0.000 1.221 587 H CA -0.643 55.410 56.048 0.009 0.000 1.185 587 H CB 2.272 32.050 29.762 0.027 0.000 1.882 587 H HN 0.382 nan 8.280 nan 0.000 0.543 588 L N 3.066 124.365 121.223 0.127 0.000 2.795 588 L HA 0.234 4.574 4.340 -0.000 0.000 0.260 588 L C -1.439 175.470 176.870 0.065 0.000 0.935 588 L CA -0.025 54.861 54.840 0.078 0.000 0.985 588 L CB 1.824 43.878 42.059 -0.008 0.000 1.433 588 L HN 0.599 nan 8.230 nan 0.000 0.447 589 Q N 3.754 123.626 119.800 0.120 0.000 2.331 589 Q HA 0.525 4.865 4.340 -0.000 0.000 0.267 589 Q C -0.163 175.948 176.000 0.185 0.000 1.006 589 Q CA -0.480 55.430 55.803 0.178 0.000 0.818 589 Q CB 2.971 31.856 28.738 0.244 0.000 1.276 589 Q HN 0.704 nan 8.270 nan 0.000 0.450 590 R N 2.107 122.734 120.500 0.213 0.000 1.776 590 R HA 0.290 4.630 4.340 -0.000 0.000 0.146 590 R C -0.805 175.749 176.300 0.425 0.000 2.057 590 R CA 0.200 56.418 56.100 0.196 0.000 1.641 590 R CB 0.616 30.932 30.300 0.026 0.000 1.256 590 R HN 0.604 nan 8.270 nan 0.000 0.478 591 F N 1.588 121.574 119.950 0.059 0.000 2.228 591 F HA -0.214 4.313 4.527 -0.000 0.000 0.484 591 F C 0.143 175.971 175.800 0.047 0.000 1.239 591 F CA 0.288 58.335 58.000 0.079 0.000 1.558 591 F CB -1.006 38.037 39.000 0.071 0.000 2.443 591 F HN 0.438 nan 8.300 nan 0.000 0.741 592 D N 1.777 122.258 120.400 0.135 0.000 1.992 592 D HA 0.021 4.661 4.640 -0.000 0.000 0.280 592 D C 1.497 177.853 176.300 0.094 0.000 1.060 592 D CA 1.037 55.090 54.000 0.090 0.000 0.877 592 D CB 0.183 41.010 40.800 0.044 0.000 1.010 592 D HN 0.660 nan 8.370 nan 0.000 0.385 593 E N 0.063 120.301 120.200 0.062 0.000 2.205 593 E HA 0.205 4.555 4.350 -0.000 0.000 0.219 593 E C 1.006 177.642 176.600 0.060 0.000 0.948 593 E CA -0.161 56.272 56.400 0.055 0.000 0.993 593 E CB -0.175 29.543 29.700 0.030 0.000 1.441 593 E HN 0.157 nan 8.360 nan 0.000 0.511 594 G N 1.880 110.700 108.800 0.033 0.000 2.916 594 G HA2 0.171 4.131 3.960 -0.000 0.000 0.280 594 G HA3 0.171 4.131 3.960 -0.000 0.000 0.280 594 G C -0.670 174.231 174.900 0.001 0.000 0.758 594 G CA 0.064 45.177 45.100 0.022 0.000 1.993 594 G HN -0.024 nan 8.290 nan 0.000 0.564 595 T N 0.729 115.292 114.554 0.016 0.000 2.841 595 T HA 0.610 4.960 4.350 -0.000 0.000 0.283 595 T C 0.365 175.016 174.700 -0.081 0.000 1.000 595 T CA -0.478 61.564 62.100 -0.098 0.000 0.977 595 T CB 1.774 70.526 68.868 -0.194 0.000 0.979 595 T HN 0.409 nan 8.240 nan 0.000 0.446 596 T N 0.250 114.682 114.554 -0.204 0.000 4.314 596 T HA 0.281 4.631 4.350 -0.000 0.000 0.234 596 T C 0.383 174.975 174.700 -0.180 0.000 0.954 596 T CA -0.709 61.340 62.100 -0.085 0.000 1.329 596 T CB -0.883 67.962 68.868 -0.038 0.000 0.883 596 T HN 0.454 nan 8.240 nan 0.000 0.577 597 L N -0.159 120.878 121.223 -0.310 0.000 4.111 597 L HA -0.187 4.153 4.340 -0.000 0.000 0.428 597 L C 0.874 177.459 176.870 -0.474 0.000 1.149 597 L CA 1.212 55.855 54.840 -0.329 0.000 0.981 597 L CB -1.483 40.559 42.059 -0.028 0.000 1.914 597 L HN 0.714 nan 8.230 nan 0.000 1.016 598 L N -1.187 119.701 121.223 -0.558 0.000 4.228 598 L HA 0.106 4.446 4.340 -0.000 0.000 0.415 598 L C 0.798 177.433 176.870 -0.391 0.000 1.154 598 L CA 0.515 55.102 54.840 -0.422 0.000 1.451 598 L CB 0.474 42.402 42.059 -0.218 0.000 1.562 598 L HN 0.321 nan 8.230 nan 0.000 0.617 599 S N 1.130 116.541 115.700 -0.481 0.000 4.212 599 S HA -0.109 4.361 4.470 -0.000 0.000 0.377 599 S C -1.072 173.432 174.600 -0.159 0.000 0.564 599 S CA -0.079 57.958 58.200 -0.272 0.000 1.469 599 S CB -0.727 62.359 63.200 -0.189 0.000 1.665 599 S HN 0.380 nan 8.310 nan 0.000 0.397 600 P HA -0.176 nan 4.420 nan 0.000 0.214 600 P C 0.980 178.257 177.300 -0.038 0.000 1.163 600 P CA 1.393 64.453 63.100 -0.066 0.000 0.883 600 P CB 0.021 31.692 31.700 -0.049 0.000 0.788 601 K N -0.626 119.758 120.400 -0.028 0.000 2.616 601 K HA -0.086 4.234 4.320 -0.000 0.000 0.192 601 K C 0.150 176.750 176.600 0.001 0.000 1.031 601 K CA 0.448 56.729 56.287 -0.009 0.000 1.004 601 K CB -0.815 31.682 32.500 -0.006 0.000 0.810 601 K HN 0.047 nan 8.250 nan 0.000 0.497 602 D N 0.888 121.289 120.400 0.001 0.000 2.697 602 D HA -0.162 4.478 4.640 -0.000 0.000 0.238 602 D C -0.402 175.935 176.300 0.063 0.000 1.152 602 D CA 0.439 54.465 54.000 0.045 0.000 0.666 602 D CB -0.989 39.832 40.800 0.034 0.000 1.037 602 D HN 0.210 nan 8.370 nan 0.000 0.423 603 N N -0.273 118.463 118.700 0.061 0.000 2.562 603 N HA 0.616 5.356 4.740 -0.000 0.000 0.299 603 N C 1.559 177.114 175.510 0.075 0.000 1.344 603 N CA 0.292 53.369 53.050 0.044 0.000 0.914 603 N CB -0.619 37.879 38.487 0.018 0.000 1.101 603 N HN 0.424 nan 8.380 nan 0.000 0.527 604 G N 0.620 109.434 108.800 0.022 0.000 2.602 604 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.317 604 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.317 604 G C -0.165 174.655 174.900 -0.134 0.000 1.327 604 G CA 1.310 46.394 45.100 -0.026 0.000 0.971 604 G HN 0.774 nan 8.290 nan 0.000 0.540 605 M N -2.090 117.288 119.600 -0.370 0.000 2.483 605 M HA 0.576 5.056 4.480 -0.000 0.000 0.266 605 M C -2.309 173.604 176.300 -0.645 0.000 0.936 605 M CA -0.535 54.435 55.300 -0.550 0.000 0.843 605 M CB 1.068 33.518 32.600 -0.250 0.000 1.911 605 M HN 1.941 nan 8.290 nan 0.000 0.563 606 L N 6.373 127.061 121.223 -0.891 0.000 2.482 606 L HA 0.848 5.188 4.340 -0.000 0.000 0.269 606 L C -2.149 174.520 176.870 -0.334 0.000 0.967 606 L CA -0.228 54.302 54.840 -0.516 0.000 0.851 606 L CB 1.720 43.497 42.059 -0.470 0.000 1.242 606 L HN 0.808 nan 8.230 nan 0.000 0.404 607 I N 5.958 126.399 120.570 -0.214 0.000 2.474 607 I HA 0.521 4.691 4.170 -0.000 0.000 0.294 607 I C -0.660 175.291 176.117 -0.275 0.000 1.005 607 I CA -0.593 60.592 61.300 -0.191 0.000 1.113 607 I CB 1.996 39.909 38.000 -0.145 0.000 1.289 607 I HN 0.518 nan 8.210 nan 0.000 0.436 608 I N 4.650 125.065 120.570 -0.260 0.000 2.533 608 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 608 I C 0.003 176.005 176.117 -0.192 0.000 1.056 608 I CA -0.318 60.752 61.300 -0.384 0.000 1.057 608 I CB 1.824 39.665 38.000 -0.265 0.000 1.240 608 I HN 0.669 nan 8.210 nan 0.000 0.423 609 D N 4.677 124.981 120.400 -0.161 0.000 2.955 609 D HA -0.213 4.427 4.640 -0.000 0.000 0.226 609 D C 0.864 177.145 176.300 -0.031 0.000 1.178 609 D CA 1.829 55.808 54.000 -0.036 0.000 0.808 609 D CB -0.625 40.175 40.800 -0.000 0.000 1.099 609 D HN 1.176 nan 8.370 nan 0.000 0.421 610 G N -0.781 107.983 108.800 -0.060 0.000 2.204 610 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 610 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 610 G C -0.394 174.481 174.900 -0.042 0.000 1.062 610 G CA 0.266 45.340 45.100 -0.043 0.000 0.798 610 G HN 0.432 nan 8.290 nan 0.000 0.496 611 Q N -0.323 119.441 119.800 -0.060 0.000 2.274 611 Q HA 0.415 4.755 4.340 -0.000 0.000 0.268 611 Q C 0.469 176.426 176.000 -0.071 0.000 1.015 611 Q CA -0.736 55.039 55.803 -0.047 0.000 0.775 611 Q CB 1.697 30.422 28.738 -0.021 0.000 1.256 611 Q HN 0.464 nan 8.270 nan 0.000 0.442 612 I N 3.753 124.276 120.570 -0.078 0.000 2.664 612 I HA -0.094 4.076 4.170 -0.000 0.000 0.284 612 I C 1.373 177.447 176.117 -0.072 0.000 1.154 612 I CA 0.472 61.709 61.300 -0.104 0.000 1.402 612 I CB 0.349 38.282 38.000 -0.112 0.000 1.395 612 I HN 0.622 nan 8.210 nan 0.000 0.545 613 I N 7.329 127.851 120.570 -0.079 0.000 3.035 613 I HA 0.051 4.221 4.170 -0.000 0.000 0.271 613 I C 0.007 176.223 176.117 0.164 0.000 1.190 613 I CA 0.493 61.812 61.300 0.032 0.000 1.472 613 I CB 0.216 38.261 38.000 0.075 0.000 1.116 613 I HN 0.598 nan 8.210 nan 0.000 0.443 614 F N -0.470 119.437 119.950 -0.071 0.000 2.780 614 F HA 0.563 5.089 4.527 -0.000 0.000 0.320 614 F C -0.774 174.973 175.800 -0.089 0.000 1.118 614 F CA -0.729 57.223 58.000 -0.081 0.000 0.964 614 F CB -0.017 38.935 39.000 -0.081 0.000 1.249 614 F HN -0.056 nan 8.300 nan 0.000 0.455 615 G N 1.745 110.619 108.800 0.124 0.000 3.069 615 G HA2 0.389 4.349 3.960 -0.000 0.000 0.686 615 G HA3 0.389 4.349 3.960 -0.000 0.000 0.686 615 G C -1.214 173.646 174.900 -0.067 0.000 1.161 615 G CA -0.641 44.459 45.100 0.000 0.000 0.804 615 G HN 1.603 nan 8.290 nan 0.000 0.608 616 V N 1.264 121.154 119.914 -0.041 0.000 2.788 616 V HA 0.323 4.442 4.120 -0.000 0.000 0.307 616 V C 1.240 177.282 176.094 -0.086 0.000 1.069 616 V CA -0.361 61.901 62.300 -0.063 0.000 1.173 616 V CB 1.372 33.168 31.823 -0.045 0.000 0.925 616 V HN 0.945 nan 8.190 nan 0.000 0.492 617 V N 5.019 124.872 119.914 -0.102 0.000 2.333 617 V HA 0.568 4.687 4.120 -0.000 0.000 0.274 617 V C -0.041 175.999 176.094 -0.090 0.000 1.028 617 V CA -0.228 62.009 62.300 -0.105 0.000 0.851 617 V CB 0.740 32.488 31.823 -0.125 0.000 1.000 617 V HN 1.194 nan 8.190 nan 0.000 0.456 618 E N 2.670 122.827 120.200 -0.071 0.000 2.460 618 E HA 0.439 4.789 4.350 -0.000 0.000 0.277 618 E C 0.666 177.241 176.600 -0.042 0.000 1.010 618 E CA -1.017 55.349 56.400 -0.057 0.000 0.838 618 E CB 0.828 30.500 29.700 -0.047 0.000 1.448 618 E HN 0.102 nan 8.360 nan 0.000 0.462 619 K N 0.258 120.640 120.400 -0.030 0.000 2.195 619 K HA -0.391 3.929 4.320 -0.000 0.000 0.216 619 K C 1.195 177.785 176.600 -0.016 0.000 1.039 619 K CA 2.707 58.983 56.287 -0.017 0.000 0.940 619 K CB -0.247 32.249 32.500 -0.007 0.000 0.778 619 K HN 0.487 nan 8.250 nan 0.000 0.475 620 K N -1.167 119.223 120.400 -0.017 0.000 2.365 620 K HA -0.032 4.288 4.320 -0.000 0.000 0.199 620 K C 1.698 178.287 176.600 -0.018 0.000 1.045 620 K CA 1.425 57.705 56.287 -0.012 0.000 0.962 620 K CB 0.233 32.728 32.500 -0.008 0.000 0.759 620 K HN 0.204 nan 8.250 nan 0.000 0.469 621 T N -0.540 113.993 114.554 -0.036 0.000 3.018 621 T HA 0.037 4.387 4.350 -0.000 0.000 0.246 621 T C 1.186 175.852 174.700 -0.057 0.000 1.026 621 T CA 0.268 62.339 62.100 -0.049 0.000 1.081 621 T CB 0.622 69.447 68.868 -0.073 0.000 0.970 621 T HN -0.019 nan 8.240 nan 0.000 0.475 622 V N 1.476 121.353 119.914 -0.062 0.000 3.166 622 V HA 0.581 4.701 4.120 -0.000 0.000 0.332 622 V C 0.537 176.595 176.094 -0.060 0.000 1.434 622 V CA -0.088 62.162 62.300 -0.083 0.000 1.121 622 V CB -0.009 31.752 31.823 -0.104 0.000 1.062 622 V HN 0.422 nan 8.190 nan 0.000 0.489 623 G N 0.047 108.830 108.800 -0.028 0.000 2.705 623 G HA2 0.405 4.365 3.960 -0.000 0.000 0.299 623 G HA3 0.405 4.365 3.960 -0.000 0.000 0.299 623 G C 0.306 175.211 174.900 0.008 0.000 1.315 623 G CA 0.184 45.284 45.100 -0.000 0.000 1.045 623 G HN 0.540 nan 8.290 nan 0.000 0.517 624 S N -0.003 115.708 115.700 0.020 0.000 3.864 624 S HA 0.316 4.786 4.470 -0.000 0.000 0.202 624 S C 0.735 175.322 174.600 -0.022 0.000 1.402 624 S CA -0.106 58.098 58.200 0.005 0.000 1.072 624 S CB -0.939 62.264 63.200 0.006 0.000 1.383 624 S HN 0.845 nan 8.310 nan 0.000 0.458 625 S N 0.815 116.504 115.700 -0.019 0.000 2.713 625 S HA 0.412 4.882 4.470 -0.000 0.000 0.283 625 S C 0.913 175.489 174.600 -0.040 0.000 1.161 625 S CA -0.921 57.269 58.200 -0.017 0.000 0.999 625 S CB 0.754 63.956 63.200 0.003 0.000 1.039 625 S HN 0.351 nan 8.310 nan 0.000 0.548 626 N N 1.480 120.172 118.700 -0.013 0.000 2.008 626 N HA -0.080 4.660 4.740 -0.000 0.000 0.190 626 N C 1.619 177.234 175.510 0.175 0.000 1.098 626 N CA 1.692 54.747 53.050 0.008 0.000 0.894 626 N CB -1.173 37.353 38.487 0.065 0.000 1.056 626 N HN 0.910 nan 8.380 nan 0.000 0.432 627 G N 0.556 109.467 108.800 0.185 0.000 3.286 627 G HA2 0.146 4.106 3.960 -0.000 0.000 0.213 627 G HA3 0.146 4.106 3.960 -0.000 0.000 0.213 627 G C 0.628 175.608 174.900 0.132 0.000 1.274 627 G CA 0.332 45.544 45.100 0.188 0.000 1.218 627 G HN 0.493 nan 8.290 nan 0.000 0.504 628 G N -0.959 107.924 108.800 0.139 0.000 2.667 628 G HA2 0.244 4.204 3.960 -0.000 0.000 0.250 628 G HA3 0.244 4.204 3.960 -0.000 0.000 0.250 628 G C 1.101 176.037 174.900 0.061 0.000 1.212 628 G CA -0.630 44.514 45.100 0.073 0.000 0.874 628 G HN 0.222 nan 8.290 nan 0.000 0.561 629 L N 0.337 121.560 121.223 -0.001 0.000 1.989 629 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 629 L C 2.863 179.719 176.870 -0.024 0.000 1.071 629 L CA 1.341 56.162 54.840 -0.031 0.000 0.749 629 L CB -0.327 41.684 42.059 -0.080 0.000 0.890 629 L HN 0.612 nan 8.230 nan 0.000 0.431 630 I N -0.940 119.602 120.570 -0.047 0.000 2.069 630 I HA -0.421 3.749 4.170 -0.000 0.000 0.237 630 I C 2.555 178.723 176.117 0.085 0.000 1.053 630 I CA 1.662 62.941 61.300 -0.036 0.000 1.311 630 I CB -0.910 37.065 38.000 -0.042 0.000 1.030 630 I HN 0.416 nan 8.210 nan 0.000 0.398 631 H N 0.925 119.991 119.070 -0.007 0.000 2.407 631 H HA -0.188 4.368 4.556 -0.000 0.000 0.293 631 H C 1.910 177.243 175.328 0.008 0.000 1.122 631 H CA 2.130 58.182 56.048 0.006 0.000 1.232 631 H CB -0.452 29.316 29.762 0.009 0.000 1.361 631 H HN 0.143 nan 8.280 nan 0.000 0.498 632 V N -0.818 119.119 119.914 0.038 0.000 2.251 632 V HA -0.200 3.920 4.120 -0.000 0.000 0.237 632 V C 2.742 178.832 176.094 -0.005 0.000 1.040 632 V CA 1.353 63.632 62.300 -0.035 0.000 1.005 632 V CB -1.053 30.763 31.823 -0.011 0.000 0.645 632 V HN 0.297 nan 8.190 nan 0.000 0.458 633 V N 0.725 120.642 119.914 0.005 0.000 2.265 633 V HA -0.422 3.698 4.120 -0.000 0.000 0.259 633 V C 2.496 178.607 176.094 0.027 0.000 1.084 633 V CA 2.968 65.273 62.300 0.010 0.000 1.076 633 V CB -1.799 30.019 31.823 -0.009 0.000 0.680 633 V HN 0.707 nan 8.190 nan 0.000 0.452 634 T N -0.271 114.310 114.554 0.045 0.000 2.595 634 T HA -0.226 4.124 4.350 -0.000 0.000 0.264 634 T C 2.011 176.736 174.700 0.041 0.000 1.058 634 T CA 1.624 63.760 62.100 0.060 0.000 1.166 634 T CB -0.361 68.561 68.868 0.091 0.000 0.863 634 T HN 0.283 nan 8.240 nan 0.000 0.415 635 R N 0.690 121.203 120.500 0.022 0.000 2.193 635 R HA 0.034 4.374 4.340 -0.000 0.000 0.229 635 R C 2.234 178.540 176.300 0.010 0.000 1.110 635 R CA 1.048 57.153 56.100 0.008 0.000 0.988 635 R CB -0.245 30.021 30.300 -0.056 0.000 0.871 635 R HN 0.493 nan 8.270 nan 0.000 0.458 636 E N 0.130 120.335 120.200 0.009 0.000 2.075 636 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 636 E C 1.618 178.237 176.600 0.031 0.000 0.950 636 E CA 0.624 57.035 56.400 0.019 0.000 0.859 636 E CB 0.166 29.878 29.700 0.022 0.000 0.846 636 E HN -0.175 nan 8.360 nan 0.000 0.467 637 K N -0.231 120.188 120.400 0.032 0.000 2.103 637 K HA 0.197 4.517 4.320 -0.000 0.000 0.204 637 K C 0.542 177.164 176.600 0.036 0.000 1.052 637 K CA 1.062 57.369 56.287 0.035 0.000 0.945 637 K CB 0.287 32.806 32.500 0.031 0.000 0.722 637 K HN 0.280 nan 8.250 nan 0.000 0.443 638 G N -0.047 108.776 108.800 0.039 0.000 2.345 638 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.310 638 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.310 638 G C -2.671 172.258 174.900 0.047 0.000 1.476 638 G CA -0.508 44.616 45.100 0.041 0.000 0.978 638 G HN -0.222 nan 8.290 nan 0.000 0.656 639 P HA -0.023 nan 4.420 nan 0.000 0.221 639 P C 1.199 178.531 177.300 0.053 0.000 1.155 639 P CA 0.977 64.106 63.100 0.048 0.000 0.812 639 P CB 0.382 32.101 31.700 0.032 0.000 0.801 640 Q N -0.040 119.786 119.800 0.043 0.000 2.083 640 Q HA -0.030 4.310 4.340 -0.000 0.000 0.198 640 Q C 2.344 178.377 176.000 0.055 0.000 0.969 640 Q CA 1.113 56.941 55.803 0.042 0.000 0.838 640 Q CB -0.857 27.898 28.738 0.029 0.000 0.900 640 Q HN 0.156 nan 8.270 nan 0.000 0.436 641 V N 0.315 120.260 119.914 0.052 0.000 2.427 641 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 641 V C 2.460 178.596 176.094 0.070 0.000 1.051 641 V CA 1.564 63.895 62.300 0.052 0.000 1.048 641 V CB -0.646 31.201 31.823 0.039 0.000 0.666 641 V HN 0.457 nan 8.190 nan 0.000 0.456 642 C N 0.397 119.750 119.300 0.087 0.000 2.450 642 C HA 0.087 4.547 4.460 -0.000 0.000 0.279 642 C C 2.991 178.133 174.990 0.254 0.000 1.335 642 C CA 0.568 59.659 59.018 0.121 0.000 1.749 642 C CB -1.126 26.693 27.740 0.132 0.000 1.963 642 C HN 0.560 nan 8.230 nan 0.000 0.501 643 A N -0.035 122.917 122.820 0.220 0.000 1.929 643 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 643 A C 2.280 180.009 177.584 0.241 0.000 1.176 643 A CA 1.652 53.837 52.037 0.247 0.000 0.628 643 A CB -0.632 18.425 19.000 0.095 0.000 0.816 643 A HN 0.704 nan 8.150 nan 0.000 0.444 644 K N -0.792 119.697 120.400 0.149 0.000 2.211 644 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 644 K C 1.835 178.506 176.600 0.118 0.000 1.050 644 K CA 1.100 57.453 56.287 0.111 0.000 0.945 644 K CB -0.226 32.315 32.500 0.068 0.000 0.732 644 K HN 0.389 nan 8.250 nan 0.000 0.451 645 L N 0.524 121.813 121.223 0.110 0.000 1.994 645 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 645 L C 1.647 178.531 176.870 0.022 0.000 1.071 645 L CA 1.731 56.584 54.840 0.021 0.000 0.745 645 L CB -0.686 41.326 42.059 -0.079 0.000 0.892 645 L HN 0.078 nan 8.230 nan 0.000 0.431 646 F N 0.438 120.396 119.950 0.015 0.000 2.087 646 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 646 F C 2.478 178.292 175.800 0.023 0.000 1.100 646 F CA 1.820 59.830 58.000 0.016 0.000 1.226 646 F CB -1.535 37.476 39.000 0.019 0.000 0.983 646 F HN 0.244 nan 8.300 nan 0.000 0.479 647 G N 0.253 109.197 108.800 0.241 0.000 2.628 647 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.217 647 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.217 647 G C 1.609 176.578 174.900 0.114 0.000 1.240 647 G CA 1.318 46.507 45.100 0.149 0.000 0.792 647 G HN 0.286 nan 8.290 nan 0.000 0.593 648 N N 1.026 119.778 118.700 0.086 0.000 2.002 648 N HA -0.166 4.574 4.740 -0.000 0.000 0.199 648 N C 2.284 177.823 175.510 0.047 0.000 1.060 648 N CA 1.571 54.661 53.050 0.067 0.000 0.867 648 N CB -0.815 37.698 38.487 0.043 0.000 1.069 648 N HN 0.389 nan 8.380 nan 0.000 0.430 649 I N 1.807 122.381 120.570 0.008 0.000 2.130 649 I HA -0.426 3.744 4.170 -0.000 0.000 0.241 649 I C 2.609 178.726 176.117 0.000 0.000 1.023 649 I CA 1.722 63.007 61.300 -0.026 0.000 1.293 649 I CB -0.518 37.441 38.000 -0.069 0.000 1.001 649 I HN 0.302 nan 8.210 nan 0.000 0.407 650 Q N 0.507 120.332 119.800 0.043 0.000 1.985 650 Q HA -0.278 4.061 4.340 -0.000 0.000 0.207 650 Q C 2.242 178.270 176.000 0.048 0.000 0.996 650 Q CA 2.011 57.850 55.803 0.060 0.000 0.851 650 Q CB -0.281 28.521 28.738 0.106 0.000 0.921 650 Q HN 0.499 nan 8.270 nan 0.000 0.418 651 K N 0.151 120.605 120.400 0.090 0.000 2.015 651 K HA -0.218 4.102 4.320 -0.000 0.000 0.216 651 K C 2.191 178.760 176.600 -0.052 0.000 1.052 651 K CA 1.949 58.301 56.287 0.107 0.000 0.937 651 K CB -0.605 32.096 32.500 0.336 0.000 0.719 651 K HN 0.028 nan 8.250 nan 0.000 0.446 652 V N 1.344 121.258 119.914 -0.001 0.000 2.215 652 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 652 V C 2.402 178.482 176.094 -0.023 0.000 1.047 652 V CA 2.061 64.341 62.300 -0.034 0.000 0.999 652 V CB -0.649 31.149 31.823 -0.041 0.000 0.635 652 V HN 0.138 nan 8.190 nan 0.000 0.450 653 V N 0.795 120.685 119.914 -0.040 0.000 2.218 653 V HA -0.384 3.735 4.120 -0.000 0.000 0.251 653 V C 2.335 178.459 176.094 0.051 0.000 1.057 653 V CA 2.605 64.893 62.300 -0.020 0.000 1.022 653 V CB -1.194 30.603 31.823 -0.044 0.000 0.645 653 V HN 0.620 nan 8.190 nan 0.000 0.451 654 N N -0.181 118.524 118.700 0.009 0.000 2.089 654 N HA -0.279 4.461 4.740 -0.000 0.000 0.198 654 N C 1.683 177.148 175.510 -0.074 0.000 1.017 654 N CA 2.363 55.406 53.050 -0.010 0.000 0.880 654 N CB -0.739 37.740 38.487 -0.013 0.000 1.042 654 N HN 0.608 nan 8.380 nan 0.000 0.446 655 F N 0.010 119.732 119.950 -0.380 0.000 2.216 655 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 655 F C 2.316 177.829 175.800 -0.478 0.000 1.085 655 F CA 1.136 58.781 58.000 -0.593 0.000 1.326 655 F CB -0.455 37.898 39.000 -1.079 0.000 1.027 655 F HN 0.166 nan 8.300 nan 0.000 0.497 656 W N 0.735 121.716 121.300 -0.532 0.000 2.418 656 W HA -0.130 4.530 4.660 -0.000 0.000 0.319 656 W C 2.146 178.430 176.519 -0.392 0.000 1.183 656 W CA 1.594 58.615 57.345 -0.539 0.000 1.327 656 W CB -0.774 28.525 29.460 -0.268 0.000 1.163 656 W HN 0.069 nan 8.180 nan 0.000 0.479 657 L N 1.308 122.593 121.223 0.102 0.000 2.349 657 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 657 L C 2.095 178.852 176.870 -0.187 0.000 1.130 657 L CA 1.850 56.651 54.840 -0.065 0.000 0.791 657 L CB -1.299 40.845 42.059 0.142 0.000 0.918 657 L HN 0.274 nan 8.230 nan 0.000 0.444 658 L N -1.104 119.982 121.223 -0.229 0.000 2.083 658 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 658 L C 2.218 179.080 176.870 -0.012 0.000 1.083 658 L CA 1.860 56.626 54.840 -0.123 0.000 0.752 658 L CB -0.619 41.353 42.059 -0.145 0.000 0.899 658 L HN 0.409 nan 8.230 nan 0.000 0.433 659 H N -2.033 116.773 119.070 -0.439 0.000 2.406 659 H HA 0.136 4.692 4.556 -0.000 0.000 0.304 659 H C 1.882 176.950 175.328 -0.433 0.000 1.042 659 H CA 0.950 56.750 56.048 -0.414 0.000 1.360 659 H CB -0.671 28.798 29.762 -0.489 0.000 1.448 659 H HN 0.291 nan 8.280 nan 0.000 0.553 660 N N 1.014 119.377 118.700 -0.562 0.000 2.651 660 N HA -0.053 4.686 4.740 -0.000 0.000 0.193 660 N C 0.465 175.798 175.510 -0.295 0.000 1.149 660 N CA 0.757 53.432 53.050 -0.624 0.000 0.933 660 N CB 0.000 37.662 38.487 -1.375 0.000 0.974 660 N HN 0.526 nan 8.380 nan 0.000 0.448 661 G N -0.532 108.161 108.800 -0.179 0.000 3.032 661 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.348 661 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.348 661 G C -0.628 174.341 174.900 0.115 0.000 1.541 661 G CA 0.185 45.261 45.100 -0.039 0.000 1.020 661 G HN 0.358 nan 8.290 nan 0.000 0.562 662 F N 0.097 120.012 119.950 -0.059 0.000 2.740 662 F HA 0.618 5.145 4.527 -0.000 0.000 0.312 662 F C -0.179 175.612 175.800 -0.014 0.000 1.121 662 F CA 0.420 58.404 58.000 -0.026 0.000 0.977 662 F CB 1.247 40.244 39.000 -0.005 0.000 1.265 662 F HN 1.637 nan 8.300 nan 0.000 0.443 663 S N 2.082 117.073 115.700 -1.182 0.000 2.671 663 S HA 0.871 5.341 4.470 -0.000 0.000 0.270 663 S C -1.841 172.329 174.600 -0.717 0.000 1.166 663 S CA 0.000 57.754 58.200 -0.744 0.000 0.868 663 S CB 1.583 64.586 63.200 -0.329 0.000 1.190 663 S HN 0.964 nan 8.310 nan 0.000 0.494 664 T N 0.303 114.645 114.554 -0.353 0.000 3.012 664 T HA 0.729 5.079 4.350 -0.000 0.000 0.330 664 T C -0.619 174.008 174.700 -0.121 0.000 1.321 664 T CA -0.113 61.857 62.100 -0.217 0.000 1.067 664 T CB 1.402 70.174 68.868 -0.160 0.000 1.235 664 T HN 1.353 nan 8.240 nan 0.000 0.479 665 G N 0.940 109.691 108.800 -0.081 0.000 2.703 665 G HA2 0.502 4.462 3.960 -0.000 0.000 0.294 665 G HA3 0.502 4.462 3.960 -0.000 0.000 0.294 665 G C 0.700 175.583 174.900 -0.028 0.000 1.451 665 G CA -0.642 44.427 45.100 -0.051 0.000 0.869 665 G HN 0.744 nan 8.290 nan 0.000 0.516 666 I N 0.327 120.887 120.570 -0.017 0.000 2.308 666 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 666 I C 2.455 178.572 176.117 0.001 0.000 1.002 666 I CA 2.359 63.657 61.300 -0.003 0.000 1.307 666 I CB -1.391 36.608 38.000 -0.001 0.000 0.997 666 I HN 0.672 nan 8.210 nan 0.000 0.431 667 G N -0.016 108.781 108.800 -0.005 0.000 2.479 667 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 667 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 667 G C 1.295 176.199 174.900 0.007 0.000 1.115 667 G CA 1.073 46.173 45.100 0.000 0.000 0.757 667 G HN 0.562 nan 8.290 nan 0.000 0.560 668 D N -0.002 120.401 120.400 0.004 0.000 2.317 668 D HA -0.054 4.586 4.640 -0.000 0.000 0.211 668 D C 2.488 178.804 176.300 0.028 0.000 0.966 668 D CA 1.425 55.434 54.000 0.016 0.000 0.876 668 D CB 0.068 40.873 40.800 0.009 0.000 0.927 668 D HN 0.508 nan 8.370 nan 0.000 0.519 669 T N -1.402 113.167 114.554 0.025 0.000 3.086 669 T HA 0.210 4.560 4.350 -0.000 0.000 0.250 669 T C 0.939 175.660 174.700 0.035 0.000 1.074 669 T CA -0.248 61.873 62.100 0.035 0.000 0.988 669 T CB -0.123 68.766 68.868 0.035 0.000 0.988 669 T HN 0.006 nan 8.240 nan 0.000 0.530 670 I N 1.309 121.896 120.570 0.029 0.000 2.389 670 I HA 0.771 4.941 4.170 -0.000 0.000 0.288 670 I C 0.106 176.241 176.117 0.029 0.000 0.999 670 I CA -1.497 59.819 61.300 0.027 0.000 1.129 670 I CB 1.514 39.527 38.000 0.021 0.000 1.288 670 I HN 0.043 nan 8.210 nan 0.000 0.444 671 A N 3.638 126.478 122.820 0.032 0.000 2.281 671 A HA 0.450 4.770 4.320 -0.000 0.000 0.329 671 A C -0.405 177.196 177.584 0.029 0.000 1.122 671 A CA -0.561 51.496 52.037 0.034 0.000 0.850 671 A CB 0.724 19.749 19.000 0.042 0.000 1.207 671 A HN 0.744 nan 8.150 nan 0.000 0.495 672 D N 0.448 120.865 120.400 0.028 0.000 3.046 672 D HA 0.066 4.706 4.640 -0.000 0.000 0.213 672 D C 1.653 177.966 176.300 0.023 0.000 1.074 672 D CA 1.603 55.618 54.000 0.024 0.000 0.785 672 D CB 0.503 41.317 40.800 0.024 0.000 1.160 672 D HN 0.617 nan 8.370 nan 0.000 0.524 673 G N 5.107 113.919 108.800 0.020 0.000 2.529 673 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 673 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 673 G C -0.621 174.290 174.900 0.019 0.000 1.177 673 G CA 0.877 45.987 45.100 0.018 0.000 0.773 673 G HN 0.576 nan 8.290 nan 0.000 0.573 674 P HA -0.078 nan 4.420 nan 0.000 0.216 674 P C 1.688 179.002 177.300 0.023 0.000 1.150 674 P CA 1.746 64.857 63.100 0.019 0.000 0.837 674 P CB -0.399 31.312 31.700 0.018 0.000 0.786 675 T N -0.446 114.123 114.554 0.025 0.000 2.929 675 T HA -0.088 4.262 4.350 -0.000 0.000 0.271 675 T C 1.917 176.636 174.700 0.032 0.000 1.085 675 T CA 1.042 63.160 62.100 0.031 0.000 1.125 675 T CB -0.404 68.485 68.868 0.034 0.000 0.874 675 T HN 0.008 nan 8.240 nan 0.000 0.494 676 M N 0.667 120.284 119.600 0.029 0.000 2.074 676 M HA 0.044 4.524 4.480 -0.000 0.000 0.258 676 M C 2.507 178.824 176.300 0.028 0.000 1.083 676 M CA 1.405 56.722 55.300 0.028 0.000 1.128 676 M CB -0.860 31.754 32.600 0.024 0.000 1.301 676 M HN 0.096 nan 8.290 nan 0.000 0.417 677 R N 0.460 120.975 120.500 0.024 0.000 2.119 677 R HA -0.239 4.101 4.340 -0.000 0.000 0.246 677 R C 1.994 178.309 176.300 0.025 0.000 1.146 677 R CA 2.219 58.333 56.100 0.023 0.000 0.962 677 R CB -0.386 29.925 30.300 0.019 0.000 0.863 677 R HN 0.465 nan 8.270 nan 0.000 0.442 678 E N 0.093 120.309 120.200 0.026 0.000 2.219 678 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 678 E C 1.790 178.409 176.600 0.032 0.000 0.998 678 E CA 1.400 57.816 56.400 0.027 0.000 0.818 678 E CB -0.029 29.688 29.700 0.028 0.000 0.741 678 E HN 0.472 nan 8.360 nan 0.000 0.477 679 I N -0.061 120.531 120.570 0.036 0.000 2.385 679 I HA -0.162 4.008 4.170 -0.000 0.000 0.244 679 I C 2.307 178.450 176.117 0.045 0.000 1.089 679 I CA 1.016 62.343 61.300 0.044 0.000 1.410 679 I CB -0.431 37.598 38.000 0.047 0.000 1.117 679 I HN 0.081 nan 8.210 nan 0.000 0.429 680 T N 1.302 115.880 114.554 0.039 0.000 2.714 680 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 680 T C 1.560 176.283 174.700 0.038 0.000 1.036 680 T CA 2.110 64.234 62.100 0.040 0.000 1.148 680 T CB -0.467 68.420 68.868 0.033 0.000 0.856 680 T HN 0.617 nan 8.240 nan 0.000 0.462 681 E N 0.292 120.510 120.200 0.030 0.000 2.250 681 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 681 E C 1.885 178.497 176.600 0.019 0.000 0.986 681 E CA 0.859 57.272 56.400 0.021 0.000 0.849 681 E CB -0.521 29.188 29.700 0.016 0.000 0.797 681 E HN 0.279 nan 8.360 nan 0.000 0.482 682 T N 1.403 115.974 114.554 0.029 0.000 2.962 682 T HA 0.013 4.363 4.350 -0.000 0.000 0.270 682 T C 1.784 176.504 174.700 0.033 0.000 1.088 682 T CA 0.817 62.935 62.100 0.030 0.000 1.127 682 T CB -0.090 68.804 68.868 0.043 0.000 0.883 682 T HN 0.188 nan 8.240 nan 0.000 0.493 683 I N 0.962 121.560 120.570 0.046 0.000 2.296 683 I HA 0.014 4.183 4.170 -0.000 0.000 0.242 683 I C 2.919 179.042 176.117 0.010 0.000 1.087 683 I CA 0.765 62.100 61.300 0.058 0.000 1.393 683 I CB -0.476 37.592 38.000 0.113 0.000 1.093 683 I HN 0.128 nan 8.210 nan 0.000 0.421 684 A N 1.478 124.307 122.820 0.015 0.000 1.978 684 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 684 A C 2.160 179.727 177.584 -0.029 0.000 1.170 684 A CA 2.047 54.081 52.037 -0.004 0.000 0.636 684 A CB -0.791 18.214 19.000 0.009 0.000 0.810 684 A HN 0.669 nan 8.150 nan 0.000 0.448 685 E N -0.253 119.930 120.200 -0.028 0.000 2.204 685 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 685 E C 1.661 178.208 176.600 -0.089 0.000 0.989 685 E CA 1.008 57.380 56.400 -0.048 0.000 0.824 685 E CB -0.318 29.362 29.700 -0.034 0.000 0.756 685 E HN 0.437 nan 8.360 nan 0.000 0.477 686 A N 0.879 123.648 122.820 -0.085 0.000 2.169 686 A HA 0.054 4.374 4.320 -0.000 0.000 0.212 686 A C 1.910 179.401 177.584 -0.155 0.000 1.153 686 A CA 0.522 52.481 52.037 -0.130 0.000 0.756 686 A CB -0.093 18.862 19.000 -0.076 0.000 0.813 686 A HN 0.106 nan 8.150 nan 0.000 0.471 687 K N -0.119 120.210 120.400 -0.119 0.000 2.116 687 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 687 K C 1.732 178.279 176.600 -0.087 0.000 1.052 687 K CA 1.060 57.282 56.287 -0.109 0.000 0.952 687 K CB -0.036 32.421 32.500 -0.071 0.000 0.729 687 K HN 0.315 nan 8.250 nan 0.000 0.446 688 K N 0.811 121.159 120.400 -0.087 0.000 2.228 688 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 688 K C 1.849 178.375 176.600 -0.124 0.000 1.051 688 K CA 0.708 56.948 56.287 -0.077 0.000 0.960 688 K CB 0.160 32.623 32.500 -0.061 0.000 0.743 688 K HN -0.029 nan 8.250 nan 0.000 0.458 689 K N 0.729 120.999 120.400 -0.216 0.000 2.362 689 K HA -0.060 4.260 4.320 -0.000 0.000 0.200 689 K C 1.548 177.919 176.600 -0.380 0.000 1.046 689 K CA 0.500 56.552 56.287 -0.391 0.000 0.952 689 K CB 0.341 32.457 32.500 -0.641 0.000 0.753 689 K HN -0.074 nan 8.250 nan 0.000 0.466 690 V N 0.565 120.373 119.914 -0.177 0.000 2.391 690 V HA -0.158 3.962 4.120 -0.000 0.000 0.237 690 V C 1.933 178.075 176.094 0.079 0.000 1.046 690 V CA 0.898 63.213 62.300 0.025 0.000 1.053 690 V CB -0.319 31.522 31.823 0.031 0.000 0.704 690 V HN 0.297 nan 8.190 nan 0.000 0.475 691 L N 1.045 122.286 121.223 0.030 0.000 2.034 691 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 691 L C 1.985 178.876 176.870 0.036 0.000 1.077 691 L CA 2.498 57.362 54.840 0.040 0.000 0.769 691 L CB -1.127 40.937 42.059 0.009 0.000 0.890 691 L HN 0.368 nan 8.230 nan 0.000 0.435 692 D N -0.624 119.782 120.400 0.010 0.000 2.106 692 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 692 D C 2.200 178.522 176.300 0.037 0.000 0.997 692 D CA 1.966 55.971 54.000 0.008 0.000 0.834 692 D CB -0.438 40.354 40.800 -0.014 0.000 0.956 692 D HN 0.347 nan 8.370 nan 0.000 0.448 693 V N 0.665 120.634 119.914 0.093 0.000 2.970 693 V HA -0.144 3.976 4.120 -0.000 0.000 0.260 693 V C 2.219 178.380 176.094 0.112 0.000 1.100 693 V CA 1.550 63.944 62.300 0.156 0.000 1.122 693 V CB -0.709 31.306 31.823 0.321 0.000 0.721 693 V HN 0.219 nan 8.190 nan 0.000 0.483 694 T N -0.245 114.375 114.554 0.110 0.000 2.732 694 T HA -0.140 4.210 4.350 -0.000 0.000 0.261 694 T C 1.949 176.569 174.700 -0.133 0.000 1.040 694 T CA 1.224 63.324 62.100 0.001 0.000 1.145 694 T CB -0.129 68.805 68.868 0.109 0.000 0.866 694 T HN 0.427 nan 8.240 nan 0.000 0.427 695 K N 0.932 121.298 120.400 -0.057 0.000 2.103 695 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 695 K C 2.354 178.906 176.600 -0.080 0.000 1.052 695 K CA 0.904 57.149 56.287 -0.070 0.000 0.945 695 K CB -0.109 32.370 32.500 -0.034 0.000 0.722 695 K HN 0.420 nan 8.250 nan 0.000 0.443 696 E N 0.356 120.524 120.200 -0.053 0.000 2.455 696 E HA -0.178 4.172 4.350 -0.000 0.000 0.202 696 E C 1.087 177.639 176.600 -0.080 0.000 1.045 696 E CA 0.837 57.212 56.400 -0.041 0.000 0.872 696 E CB 0.128 29.828 29.700 0.002 0.000 0.792 696 E HN 0.323 nan 8.360 nan 0.000 0.542 697 A N -0.214 122.508 122.820 -0.163 0.000 2.287 697 A HA 0.125 4.445 4.320 -0.000 0.000 0.214 697 A C 1.512 178.949 177.584 -0.245 0.000 1.228 697 A CA -0.278 51.617 52.037 -0.237 0.000 0.939 697 A CB 0.333 19.065 19.000 -0.448 0.000 0.992 697 A HN 0.166 nan 8.150 nan 0.000 0.502 698 Q N -0.417 119.252 119.800 -0.217 0.000 2.373 698 Q HA 0.265 4.605 4.340 -0.000 0.000 0.206 698 Q C 1.064 176.997 176.000 -0.113 0.000 0.942 698 Q CA 0.513 56.209 55.803 -0.178 0.000 0.953 698 Q CB 0.133 28.781 28.738 -0.151 0.000 1.022 698 Q HN 0.614 nan 8.270 nan 0.000 0.502 699 A N 0.381 123.142 122.820 -0.098 0.000 2.551 699 A HA 0.130 4.450 4.320 -0.000 0.000 0.252 699 A C 0.487 178.037 177.584 -0.057 0.000 1.199 699 A CA -0.037 51.961 52.037 -0.064 0.000 0.972 699 A CB 0.352 19.323 19.000 -0.049 0.000 1.153 699 A HN 0.377 nan 8.150 nan 0.000 0.559 700 N N -0.672 117.986 118.700 -0.071 0.000 2.780 700 N HA -0.130 4.610 4.740 -0.000 0.000 0.248 700 N C -0.016 175.472 175.510 -0.037 0.000 1.102 700 N CA 0.996 54.013 53.050 -0.054 0.000 0.697 700 N CB -1.989 36.473 38.487 -0.041 0.000 1.028 700 N HN 0.448 nan 8.380 nan 0.000 0.554 701 L N -0.783 120.417 121.223 -0.038 0.000 2.791 701 L HA 0.329 4.668 4.340 -0.000 0.000 0.239 701 L C 0.456 177.320 176.870 -0.010 0.000 1.203 701 L CA -0.076 54.752 54.840 -0.020 0.000 1.002 701 L CB 0.099 42.147 42.059 -0.018 0.000 1.295 701 L HN 0.189 nan 8.230 nan 0.000 0.504 702 L N 0.500 121.715 121.223 -0.013 0.000 2.313 702 L HA 0.362 4.702 4.340 -0.000 0.000 0.283 702 L C 0.115 176.994 176.870 0.014 0.000 1.013 702 L CA -0.253 54.590 54.840 0.006 0.000 0.816 702 L CB 2.225 44.288 42.059 0.007 0.000 1.236 702 L HN 0.004 nan 8.230 nan 0.000 0.419 703 T N 3.488 118.056 114.554 0.024 0.000 2.784 703 T HA 0.139 4.489 4.350 -0.000 0.000 0.291 703 T C 0.504 175.225 174.700 0.036 0.000 0.942 703 T CA -0.365 61.751 62.100 0.027 0.000 1.161 703 T CB 0.633 69.519 68.868 0.029 0.000 0.885 703 T HN 0.639 nan 8.240 nan 0.000 0.534 704 A N 5.573 128.414 122.820 0.034 0.000 2.489 704 A HA 0.179 4.499 4.320 -0.000 0.000 0.289 704 A C 0.724 178.343 177.584 0.058 0.000 1.216 704 A CA -0.277 51.785 52.037 0.042 0.000 0.883 704 A CB -0.260 18.762 19.000 0.037 0.000 1.110 704 A HN 0.796 nan 8.150 nan 0.000 0.523 705 K N 1.808 122.245 120.400 0.060 0.000 2.518 705 K HA -0.020 4.300 4.320 -0.000 0.000 0.276 705 K C 0.178 176.840 176.600 0.105 0.000 0.974 705 K CA 0.011 56.344 56.287 0.077 0.000 0.986 705 K CB 0.266 32.803 32.500 0.062 0.000 0.901 705 K HN 0.812 nan 8.250 nan 0.000 0.497 706 H N 0.442 119.522 119.070 0.016 0.000 3.001 706 H HA 0.059 4.615 4.556 -0.000 0.000 0.334 706 H C 1.115 176.453 175.328 0.016 0.000 1.034 706 H CA 1.553 57.609 56.048 0.012 0.000 1.420 706 H CB 0.247 30.014 29.762 0.008 0.000 1.405 706 H HN 0.795 nan 8.280 nan 0.000 0.593 707 G N 4.039 112.557 108.800 -0.470 0.000 2.176 707 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 707 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 707 G C -0.140 174.681 174.900 -0.132 0.000 1.024 707 G CA 0.473 45.363 45.100 -0.349 0.000 0.755 707 G HN 0.645 nan 8.290 nan 0.000 0.507 708 M N -0.037 119.521 119.600 -0.070 0.000 2.365 708 M HA 0.268 4.748 4.480 -0.000 0.000 0.287 708 M C 0.169 176.470 176.300 0.001 0.000 1.154 708 M CA -0.678 54.608 55.300 -0.023 0.000 0.941 708 M CB 2.088 34.686 32.600 -0.004 0.000 1.704 708 M HN 0.044 nan 8.290 nan 0.000 0.479 709 T N 2.034 116.593 114.554 0.009 0.000 2.906 709 T HA 0.083 4.433 4.350 -0.000 0.000 0.320 709 T C 1.362 176.086 174.700 0.041 0.000 1.088 709 T CA -0.172 61.942 62.100 0.024 0.000 1.120 709 T CB 0.482 69.368 68.868 0.031 0.000 1.000 709 T HN 0.443 nan 8.240 nan 0.000 0.550 710 L N 1.583 122.830 121.223 0.039 0.000 2.187 710 L HA -0.053 4.287 4.340 -0.000 0.000 0.213 710 L C 2.589 179.510 176.870 0.085 0.000 1.100 710 L CA 1.651 56.517 54.840 0.044 0.000 0.765 710 L CB -0.656 41.411 42.059 0.015 0.000 0.904 710 L HN 0.483 nan 8.230 nan 0.000 0.437 711 R N -0.178 120.377 120.500 0.092 0.000 2.056 711 R HA -0.081 4.259 4.340 -0.000 0.000 0.227 711 R C 2.246 178.643 176.300 0.161 0.000 1.149 711 R CA 1.195 57.390 56.100 0.159 0.000 0.937 711 R CB -0.267 30.110 30.300 0.130 0.000 0.835 711 R HN 0.344 nan 8.270 nan 0.000 0.430 712 E N -0.321 119.931 120.200 0.086 0.000 2.187 712 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 712 E C 1.846 178.472 176.600 0.043 0.000 1.004 712 E CA 1.657 58.084 56.400 0.045 0.000 0.813 712 E CB -0.054 29.658 29.700 0.020 0.000 0.736 712 E HN 0.251 nan 8.360 nan 0.000 0.468 713 S N 0.263 116.007 115.700 0.073 0.000 2.436 713 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 713 S C 1.456 176.129 174.600 0.122 0.000 1.014 713 S CA 0.379 58.621 58.200 0.071 0.000 0.950 713 S CB -0.167 63.075 63.200 0.071 0.000 0.784 713 S HN 0.289 nan 8.310 nan 0.000 0.504 714 F N 3.142 123.094 119.950 0.003 0.000 2.084 714 F HA -0.034 4.493 4.527 -0.000 0.000 0.296 714 F C 2.166 177.976 175.800 0.016 0.000 1.111 714 F CA 1.343 59.352 58.000 0.014 0.000 1.224 714 F CB -0.661 38.352 39.000 0.022 0.000 0.991 714 F HN 0.058 nan 8.300 nan 0.000 0.471 715 E N 0.266 120.298 120.200 -0.280 0.000 2.031 715 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 715 E C 2.088 178.533 176.600 -0.258 0.000 0.994 715 E CA 1.439 57.597 56.400 -0.404 0.000 0.800 715 E CB -0.985 28.587 29.700 -0.214 0.000 0.752 715 E HN 0.495 nan 8.360 nan 0.000 0.447 716 D N 0.839 121.152 120.400 -0.145 0.000 2.218 716 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 716 D C 1.450 177.637 176.300 -0.189 0.000 1.007 716 D CA 1.129 55.053 54.000 -0.126 0.000 0.879 716 D CB 0.025 40.781 40.800 -0.073 0.000 0.918 716 D HN 0.113 nan 8.370 nan 0.000 0.449 717 N N -0.156 118.409 118.700 -0.226 0.000 2.197 717 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 717 N C 2.238 177.459 175.510 -0.481 0.000 1.030 717 N CA 0.676 53.477 53.050 -0.415 0.000 0.851 717 N CB -0.581 37.705 38.487 -0.334 0.000 1.003 717 N HN 0.115 nan 8.380 nan 0.000 0.430 718 V N 1.805 121.556 119.914 -0.271 0.000 2.233 718 V HA -0.259 3.861 4.120 -0.000 0.000 0.252 718 V C 2.580 178.615 176.094 -0.100 0.000 1.063 718 V CA 1.678 63.898 62.300 -0.133 0.000 1.032 718 V CB -0.876 30.745 31.823 -0.338 0.000 0.645 718 V HN 0.050 nan 8.190 nan 0.000 0.446 719 V N -0.475 119.350 119.914 -0.150 0.000 2.287 719 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 719 V C 2.587 178.646 176.094 -0.058 0.000 1.053 719 V CA 2.494 64.746 62.300 -0.080 0.000 1.027 719 V CB -0.799 30.973 31.823 -0.086 0.000 0.646 719 V HN 0.455 nan 8.190 nan 0.000 0.447 720 R N -1.284 119.130 120.500 -0.144 0.000 2.159 720 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 720 R C 2.208 178.472 176.300 -0.061 0.000 1.131 720 R CA 1.691 57.705 56.100 -0.143 0.000 0.982 720 R CB -0.242 29.902 30.300 -0.260 0.000 0.868 720 R HN 0.558 nan 8.270 nan 0.000 0.453 721 F N -0.074 119.862 119.950 -0.024 0.000 2.094 721 F HA -0.144 4.382 4.527 -0.000 0.000 0.291 721 F C 2.223 178.002 175.800 -0.034 0.000 1.109 721 F CA 0.367 58.351 58.000 -0.026 0.000 1.221 721 F CB -0.263 38.712 39.000 -0.042 0.000 1.014 721 F HN -0.068 nan 8.300 nan 0.000 0.473 722 L N 0.330 121.634 121.223 0.135 0.000 1.997 722 L HA -0.334 4.006 4.340 -0.000 0.000 0.216 722 L C 2.130 179.093 176.870 0.155 0.000 1.074 722 L CA 1.457 56.301 54.840 0.007 0.000 0.763 722 L CB -0.881 41.109 42.059 -0.116 0.000 0.890 722 L HN 0.157 nan 8.230 nan 0.000 0.434 723 N N -0.289 118.499 118.700 0.147 0.000 2.084 723 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 723 N C 1.818 177.405 175.510 0.128 0.000 1.030 723 N CA 1.243 54.376 53.050 0.139 0.000 0.849 723 N CB -0.279 38.260 38.487 0.087 0.000 1.012 723 N HN 0.364 nan 8.380 nan 0.000 0.423 724 E N 0.216 120.491 120.200 0.125 0.000 2.187 724 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 724 E C 1.661 178.340 176.600 0.132 0.000 1.004 724 E CA 1.179 57.657 56.400 0.130 0.000 0.813 724 E CB 0.016 29.815 29.700 0.165 0.000 0.736 724 E HN 0.400 nan 8.360 nan 0.000 0.468 725 A N 0.872 123.774 122.820 0.137 0.000 1.835 725 A HA -0.133 4.187 4.320 -0.000 0.000 0.213 725 A C 2.057 179.727 177.584 0.143 0.000 1.210 725 A CA 1.249 53.361 52.037 0.125 0.000 0.605 725 A CB -0.543 18.522 19.000 0.108 0.000 0.860 725 A HN 0.143 nan 8.150 nan 0.000 0.447 726 R N -0.071 120.536 120.500 0.179 0.000 2.140 726 R HA -0.281 4.059 4.340 -0.000 0.000 0.250 726 R C 1.535 177.886 176.300 0.085 0.000 1.150 726 R CA 2.498 58.682 56.100 0.139 0.000 0.966 726 R CB -0.562 29.817 30.300 0.131 0.000 0.869 726 R HN 0.604 nan 8.270 nan 0.000 0.445 727 D N -0.483 119.983 120.400 0.109 0.000 2.085 727 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 727 D C 1.821 178.261 176.300 0.233 0.000 0.981 727 D CA 1.840 55.934 54.000 0.157 0.000 0.834 727 D CB -0.057 40.855 40.800 0.187 0.000 0.992 727 D HN 0.386 nan 8.370 nan 0.000 0.457 728 K N 0.792 121.297 120.400 0.175 0.000 2.362 728 K HA 0.050 4.370 4.320 -0.000 0.000 0.200 728 K C 1.875 178.559 176.600 0.141 0.000 1.046 728 K CA 1.105 57.484 56.287 0.153 0.000 0.952 728 K CB 0.006 32.571 32.500 0.108 0.000 0.753 728 K HN 0.070 nan 8.250 nan 0.000 0.466 729 A N 1.610 124.508 122.820 0.129 0.000 1.930 729 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 729 A C 2.424 180.083 177.584 0.124 0.000 1.175 729 A CA 1.560 53.660 52.037 0.106 0.000 0.627 729 A CB -1.131 17.925 19.000 0.093 0.000 0.815 729 A HN 0.543 nan 8.150 nan 0.000 0.443 730 G N -0.600 108.298 108.800 0.164 0.000 2.414 730 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.215 730 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.215 730 G C 1.599 176.710 174.900 0.352 0.000 1.188 730 G CA 0.663 45.906 45.100 0.239 0.000 0.783 730 G HN 0.520 nan 8.290 nan 0.000 0.537 731 R N -0.152 120.573 120.500 0.375 0.000 2.350 731 R HA -0.052 4.288 4.340 -0.000 0.000 0.246 731 R C 2.306 178.663 176.300 0.095 0.000 1.182 731 R CA 0.640 56.829 56.100 0.147 0.000 1.030 731 R CB -0.308 30.035 30.300 0.073 0.000 0.861 731 R HN 0.385 nan 8.270 nan 0.000 0.483 732 L N -1.258 120.035 121.223 0.117 0.000 2.130 732 L HA 0.029 4.369 4.340 -0.000 0.000 0.200 732 L C 2.562 179.480 176.870 0.080 0.000 1.075 732 L CA 0.856 55.744 54.840 0.080 0.000 0.768 732 L CB -0.535 41.569 42.059 0.073 0.000 0.933 732 L HN 0.149 nan 8.230 nan 0.000 0.451 733 A N 0.028 122.909 122.820 0.101 0.000 1.969 733 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 733 A C 2.188 179.834 177.584 0.102 0.000 1.169 733 A CA 1.708 53.800 52.037 0.092 0.000 0.635 733 A CB -0.533 18.524 19.000 0.094 0.000 0.810 733 A HN 0.497 nan 8.150 nan 0.000 0.445 734 E N -0.205 120.079 120.200 0.140 0.000 2.204 734 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 734 E C 1.325 177.955 176.600 0.050 0.000 0.990 734 E CA 1.507 57.977 56.400 0.117 0.000 0.821 734 E CB -0.014 29.745 29.700 0.100 0.000 0.750 734 E HN 0.377 nan 8.360 nan 0.000 0.477 735 V N 1.030 120.968 119.914 0.039 0.000 3.263 735 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 735 V C 1.995 178.108 176.094 0.030 0.000 1.145 735 V CA 0.884 63.197 62.300 0.022 0.000 1.107 735 V CB -0.111 31.718 31.823 0.011 0.000 0.797 735 V HN 0.336 nan 8.190 nan 0.000 0.467 736 N N 0.631 119.354 118.700 0.039 0.000 2.461 736 N HA 0.049 4.789 4.740 -0.000 0.000 0.188 736 N C 0.299 175.833 175.510 0.039 0.000 1.134 736 N CA 0.179 53.251 53.050 0.037 0.000 0.878 736 N CB 0.184 38.694 38.487 0.038 0.000 0.972 736 N HN 0.383 nan 8.380 nan 0.000 0.456 737 L N 2.474 123.724 121.223 0.045 0.000 2.264 737 L HA 0.253 4.593 4.340 -0.000 0.000 0.289 737 L C 0.247 177.143 176.870 0.044 0.000 1.044 737 L CA -0.592 54.276 54.840 0.047 0.000 0.807 737 L CB 1.284 43.378 42.059 0.059 0.000 1.192 737 L HN -0.076 nan 8.230 nan 0.000 0.425 738 K N 1.917 122.342 120.400 0.041 0.000 2.336 738 K HA 0.013 4.333 4.320 -0.000 0.000 0.262 738 K C 0.105 176.733 176.600 0.047 0.000 0.992 738 K CA -0.428 55.883 56.287 0.040 0.000 0.927 738 K CB 0.609 33.131 32.500 0.037 0.000 0.956 738 K HN 0.419 nan 8.250 nan 0.000 0.495 739 D N 0.986 121.412 120.400 0.044 0.000 2.407 739 D HA -0.062 4.578 4.640 -0.000 0.000 0.234 739 D C 0.838 177.175 176.300 0.062 0.000 1.029 739 D CA 0.677 54.706 54.000 0.048 0.000 0.937 739 D CB -0.164 40.660 40.800 0.040 0.000 0.882 739 D HN 0.402 nan 8.370 nan 0.000 0.531 740 L N -2.886 118.376 121.223 0.065 0.000 2.749 740 L HA 0.303 4.643 4.340 -0.000 0.000 0.242 740 L C 0.474 177.397 176.870 0.088 0.000 1.103 740 L CA -0.424 54.462 54.840 0.077 0.000 0.906 740 L CB -0.684 41.411 42.059 0.060 0.000 1.228 740 L HN -0.279 nan 8.230 nan 0.000 0.517 741 N N 1.531 120.277 118.700 0.076 0.000 2.454 741 N HA -0.016 4.724 4.740 -0.000 0.000 0.260 741 N C 0.939 176.517 175.510 0.114 0.000 1.218 741 N CA 0.200 53.295 53.050 0.075 0.000 0.904 741 N CB 0.442 38.968 38.487 0.065 0.000 1.065 741 N HN 0.197 nan 8.380 nan 0.000 0.462 742 N N 2.912 121.678 118.700 0.110 0.000 2.028 742 N HA -0.170 4.570 4.740 -0.000 0.000 0.194 742 N C 1.496 177.128 175.510 0.205 0.000 1.050 742 N CA 1.314 54.481 53.050 0.195 0.000 0.848 742 N CB -0.712 37.756 38.487 -0.032 0.000 1.038 742 N HN 0.329 nan 8.380 nan 0.000 0.423 743 V N 2.051 122.034 119.914 0.116 0.000 2.311 743 V HA -0.305 3.815 4.120 -0.000 0.000 0.256 743 V C 2.543 178.707 176.094 0.116 0.000 1.077 743 V CA 1.926 64.291 62.300 0.109 0.000 1.067 743 V CB -0.617 31.250 31.823 0.073 0.000 0.659 743 V HN 0.413 nan 8.190 nan 0.000 0.451 744 K N -0.522 119.941 120.400 0.106 0.000 1.985 744 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 744 K C 2.329 178.984 176.600 0.091 0.000 1.047 744 K CA 1.811 58.153 56.287 0.092 0.000 0.932 744 K CB -0.233 32.313 32.500 0.077 0.000 0.716 744 K HN 0.533 nan 8.250 nan 0.000 0.439 745 Q N 0.092 119.958 119.800 0.109 0.000 2.082 745 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 745 Q C 2.221 178.257 176.000 0.060 0.000 1.002 745 Q CA 2.546 58.399 55.803 0.084 0.000 0.868 745 Q CB -0.225 28.587 28.738 0.122 0.000 0.931 745 Q HN 0.437 nan 8.270 nan 0.000 0.414 746 M N -0.241 119.430 119.600 0.119 0.000 2.149 746 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 746 M C 2.216 178.554 176.300 0.064 0.000 1.064 746 M CA 1.122 56.479 55.300 0.095 0.000 1.102 746 M CB -0.245 32.453 32.600 0.163 0.000 1.369 746 M HN 0.114 nan 8.290 nan 0.000 0.408 747 V N 0.144 120.102 119.914 0.073 0.000 2.427 747 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 747 V C 2.304 178.422 176.094 0.041 0.000 1.051 747 V CA 1.530 63.868 62.300 0.062 0.000 1.048 747 V CB -0.550 31.320 31.823 0.078 0.000 0.666 747 V HN 0.493 nan 8.190 nan 0.000 0.456 748 M N 0.012 119.632 119.600 0.032 0.000 2.077 748 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 748 M C 2.478 178.779 176.300 0.000 0.000 1.070 748 M CA 2.101 57.410 55.300 0.014 0.000 1.125 748 M CB -0.616 31.991 32.600 0.011 0.000 1.339 748 M HN 0.368 nan 8.290 nan 0.000 0.409 749 A N -0.023 122.790 122.820 -0.011 0.000 1.986 749 A HA -0.010 4.309 4.320 -0.000 0.000 0.220 749 A C 1.811 179.388 177.584 -0.012 0.000 1.171 749 A CA 1.767 53.787 52.037 -0.027 0.000 0.640 749 A CB -1.214 17.755 19.000 -0.051 0.000 0.811 749 A HN 0.763 nan 8.150 nan 0.000 0.451 750 G N -1.479 107.324 108.800 0.005 0.000 2.132 750 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.228 750 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.228 750 G C 0.961 175.870 174.900 0.015 0.000 1.000 750 G CA 1.168 46.276 45.100 0.014 0.000 0.693 750 G HN 1.542 nan 8.290 nan 0.000 0.515 751 S N -1.644 114.065 115.700 0.015 0.000 2.461 751 S HA 0.443 4.913 4.470 -0.000 0.000 0.228 751 S C 0.900 175.520 174.600 0.034 0.000 1.005 751 S CA 1.436 59.648 58.200 0.020 0.000 0.942 751 S CB 0.609 63.817 63.200 0.014 0.000 0.776 751 S HN 0.459 nan 8.310 nan 0.000 0.514 752 K N -0.366 120.059 120.400 0.041 0.000 2.660 752 K HA 0.489 4.809 4.320 -0.000 0.000 0.285 752 K C -0.128 176.501 176.600 0.049 0.000 0.997 752 K CA 0.328 56.641 56.287 0.044 0.000 0.861 752 K CB 1.018 33.549 32.500 0.052 0.000 1.469 752 K HN 0.536 nan 8.250 nan 0.000 0.395 753 G N 1.118 109.943 108.800 0.042 0.000 2.954 753 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.672 753 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.672 753 G C -0.327 174.610 174.900 0.062 0.000 1.598 753 G CA 0.228 45.356 45.100 0.047 0.000 1.063 753 G HN 1.138 nan 8.290 nan 0.000 0.584 754 S N 0.418 116.162 115.700 0.073 0.000 2.851 754 S HA 0.752 5.222 4.470 -0.000 0.000 0.313 754 S C 0.890 175.592 174.600 0.170 0.000 1.163 754 S CA 0.280 58.547 58.200 0.111 0.000 0.850 754 S CB 1.407 64.667 63.200 0.099 0.000 1.245 754 S HN 1.765 nan 8.310 nan 0.000 0.558 755 F N 1.660 121.627 119.950 0.028 0.000 2.021 755 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 755 F C 2.073 177.895 175.800 0.037 0.000 1.152 755 F CA 1.630 59.649 58.000 0.032 0.000 1.201 755 F CB -0.899 38.118 39.000 0.029 0.000 0.951 755 F HN 0.496 nan 8.300 nan 0.000 0.504 756 I N 1.242 121.629 120.570 -0.306 0.000 2.178 756 I HA -0.487 3.683 4.170 -0.000 0.000 0.243 756 I C 2.250 178.241 176.117 -0.211 0.000 1.019 756 I CA 2.153 63.209 61.300 -0.406 0.000 1.294 756 I CB -1.567 36.331 38.000 -0.171 0.000 0.996 756 I HN 0.381 nan 8.210 nan 0.000 0.415 757 N N 0.739 119.400 118.700 -0.065 0.000 2.061 757 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 757 N C 1.962 177.479 175.510 0.011 0.000 1.030 757 N CA 1.607 54.653 53.050 -0.006 0.000 0.856 757 N CB -0.403 38.096 38.487 0.020 0.000 1.023 757 N HN 0.432 nan 8.380 nan 0.000 0.424 758 I N 1.441 122.032 120.570 0.035 0.000 2.127 758 I HA -0.302 3.868 4.170 -0.000 0.000 0.241 758 I C 2.475 178.611 176.117 0.033 0.000 1.075 758 I CA 1.231 62.575 61.300 0.074 0.000 1.334 758 I CB -0.478 37.625 38.000 0.171 0.000 1.040 758 I HN 0.086 nan 8.210 nan 0.000 0.405 759 A N 0.432 123.211 122.820 -0.067 0.000 1.842 759 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 759 A C 2.206 179.755 177.584 -0.059 0.000 1.206 759 A CA 2.029 54.002 52.037 -0.107 0.000 0.630 759 A CB -1.075 17.721 19.000 -0.340 0.000 0.839 759 A HN 0.498 nan 8.150 nan 0.000 0.447 760 Q N -1.272 118.492 119.800 -0.061 0.000 2.268 760 Q HA -0.222 4.118 4.340 -0.000 0.000 0.210 760 Q C 2.159 178.247 176.000 0.146 0.000 0.988 760 Q CA 1.865 57.675 55.803 0.013 0.000 0.883 760 Q CB -0.314 28.511 28.738 0.144 0.000 0.911 760 Q HN 0.758 nan 8.270 nan 0.000 0.430 761 M N -1.247 118.449 119.600 0.160 0.000 2.299 761 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 761 M C 2.047 178.402 176.300 0.092 0.000 1.095 761 M CA 0.996 56.408 55.300 0.187 0.000 1.165 761 M CB 0.330 33.002 32.600 0.121 0.000 1.349 761 M HN 0.004 nan 8.290 nan 0.000 0.446 762 S N 0.226 115.961 115.700 0.058 0.000 2.441 762 S HA 0.225 4.695 4.470 -0.000 0.000 0.224 762 S C 1.686 176.302 174.600 0.026 0.000 1.043 762 S CA 0.659 58.885 58.200 0.043 0.000 0.948 762 S CB 0.086 63.317 63.200 0.053 0.000 0.810 762 S HN 0.437 nan 8.310 nan 0.000 0.504 763 A N 0.136 122.965 122.820 0.016 0.000 2.453 763 A HA 0.519 4.839 4.320 -0.000 0.000 0.225 763 A C 0.734 178.302 177.584 -0.028 0.000 2.127 763 A CA 0.329 52.371 52.037 0.010 0.000 0.864 763 A CB -0.533 18.487 19.000 0.032 0.000 1.440 763 A HN 0.513 nan 8.150 nan 0.000 0.566 764 C N -0.794 118.474 119.300 -0.054 0.000 2.535 764 C HA 0.589 5.049 4.460 -0.000 0.000 0.319 764 C C 1.659 176.531 174.990 -0.197 0.000 1.171 764 C CA -0.411 58.538 59.018 -0.115 0.000 1.394 764 C CB 0.501 28.212 27.740 -0.048 0.000 1.990 764 C HN 0.549 nan 8.230 nan 0.000 0.466 765 V N 5.182 124.898 119.914 -0.330 0.000 2.220 765 V HA 0.278 4.398 4.120 -0.000 0.000 0.242 765 V C 1.622 177.513 176.094 -0.339 0.000 1.041 765 V CA 2.538 64.584 62.300 -0.424 0.000 0.990 765 V CB -1.055 30.382 31.823 -0.644 0.000 0.634 765 V HN 1.460 nan 8.190 nan 0.000 0.452 766 G N -1.272 107.250 108.800 -0.463 0.000 2.359 766 G HA2 0.332 4.292 3.960 -0.000 0.000 0.293 766 G HA3 0.332 4.292 3.960 -0.000 0.000 0.293 766 G C -1.532 173.118 174.900 -0.418 0.000 1.300 766 G CA -0.124 44.762 45.100 -0.357 0.000 0.888 766 G HN 0.436 nan 8.290 nan 0.000 0.541 767 Q N 0.303 120.053 119.800 -0.083 0.000 2.360 767 Q HA 0.627 4.967 4.340 -0.000 0.000 0.254 767 Q C 0.095 176.133 176.000 0.064 0.000 0.975 767 Q CA -0.302 55.566 55.803 0.108 0.000 0.912 767 Q CB 1.086 30.021 28.738 0.328 0.000 1.212 767 Q HN 0.468 nan 8.270 nan 0.000 0.452 768 Q N 1.627 121.471 119.800 0.074 0.000 2.392 768 Q HA 0.421 4.761 4.340 -0.000 0.000 0.262 768 Q C -0.821 175.203 176.000 0.039 0.000 1.003 768 Q CA 0.389 56.244 55.803 0.086 0.000 0.888 768 Q CB 1.068 29.898 28.738 0.154 0.000 1.260 768 Q HN 0.811 nan 8.270 nan 0.000 0.435 769 S N -0.367 115.342 115.700 0.014 0.000 2.588 769 S HA 0.855 5.325 4.470 -0.000 0.000 0.275 769 S C -1.250 173.330 174.600 -0.034 0.000 1.130 769 S CA -0.932 57.256 58.200 -0.020 0.000 0.855 769 S CB 1.440 64.629 63.200 -0.017 0.000 1.116 769 S HN 0.225 nan 8.310 nan 0.000 0.472 770 V N 1.577 121.460 119.914 -0.051 0.000 2.532 770 V HA 0.527 4.647 4.120 -0.000 0.000 0.294 770 V C -0.226 175.837 176.094 -0.052 0.000 1.036 770 V CA -0.640 61.629 62.300 -0.053 0.000 0.876 770 V CB 0.461 32.247 31.823 -0.061 0.000 1.012 770 V HN 1.146 nan 8.190 nan 0.000 0.432 771 E N 3.304 123.479 120.200 -0.042 0.000 2.868 771 E HA -0.287 4.063 4.350 -0.000 0.000 0.278 771 E C 1.303 177.879 176.600 -0.039 0.000 1.009 771 E CA 0.818 57.196 56.400 -0.038 0.000 0.856 771 E CB -1.311 28.366 29.700 -0.038 0.000 1.428 771 E HN 1.564 nan 8.360 nan 0.000 0.423 772 G N 0.104 108.880 108.800 -0.040 0.000 2.579 772 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.222 772 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.222 772 G C 0.218 175.084 174.900 -0.057 0.000 1.201 772 G CA 0.404 45.479 45.100 -0.041 0.000 0.710 772 G HN 0.216 nan 8.290 nan 0.000 0.516 773 K N 2.990 123.348 120.400 -0.069 0.000 2.383 773 K HA 0.404 4.724 4.320 -0.000 0.000 0.286 773 K C 1.008 177.540 176.600 -0.113 0.000 1.051 773 K CA -0.380 55.847 56.287 -0.098 0.000 0.974 773 K CB 0.527 32.964 32.500 -0.105 0.000 0.968 773 K HN 0.666 nan 8.250 nan 0.000 0.475 774 R N 2.647 123.071 120.500 -0.127 0.000 2.697 774 R HA 0.005 4.345 4.340 -0.000 0.000 0.265 774 R C 0.232 176.422 176.300 -0.182 0.000 1.009 774 R CA -0.663 55.360 56.100 -0.127 0.000 1.099 774 R CB -0.116 30.113 30.300 -0.118 0.000 0.965 774 R HN 0.441 nan 8.270 nan 0.000 0.428 775 I N 1.113 121.570 120.570 -0.188 0.000 3.442 775 I HA -0.284 3.886 4.170 -0.000 0.000 0.358 775 I C 1.021 176.991 176.117 -0.244 0.000 1.163 775 I CA 0.922 62.073 61.300 -0.249 0.000 1.629 775 I CB -1.385 36.317 38.000 -0.496 0.000 1.237 775 I HN 0.864 nan 8.210 nan 0.000 0.453 776 A N 8.070 130.786 122.820 -0.173 0.000 2.274 776 A HA 0.597 4.917 4.320 -0.000 0.000 0.297 776 A C 0.028 177.646 177.584 0.057 0.000 1.191 776 A CA -0.575 51.361 52.037 -0.170 0.000 0.889 776 A CB 0.464 19.389 19.000 -0.125 0.000 1.294 776 A HN 0.572 nan 8.150 nan 0.000 0.506 777 F N 1.018 120.935 119.950 -0.055 0.000 2.605 777 F HA 0.223 4.750 4.527 -0.000 0.000 0.352 777 F C 1.688 177.508 175.800 0.032 0.000 1.236 777 F CA -0.279 57.724 58.000 0.006 0.000 1.267 777 F CB 0.303 39.316 39.000 0.021 0.000 1.632 777 F HN 0.793 nan 8.300 nan 0.000 0.639 778 G N 2.385 111.291 108.800 0.177 0.000 2.394 778 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 778 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 778 G C 0.475 175.463 174.900 0.147 0.000 1.165 778 G CA -0.104 45.038 45.100 0.071 0.000 0.784 778 G HN 0.383 nan 8.290 nan 0.000 0.535 779 F N 1.525 121.513 119.950 0.062 0.000 2.444 779 F HA 0.271 4.798 4.527 -0.000 0.000 0.360 779 F C 0.616 176.403 175.800 -0.021 0.000 1.106 779 F CA -1.156 56.852 58.000 0.014 0.000 1.170 779 F CB 1.391 40.386 39.000 -0.008 0.000 1.113 779 F HN -0.269 nan 8.300 nan 0.000 0.521 780 V N 6.039 126.062 119.914 0.182 0.000 2.899 780 V HA -0.270 3.850 4.120 -0.000 0.000 0.293 780 V C 0.376 176.430 176.094 -0.068 0.000 1.114 780 V CA 0.817 63.155 62.300 0.064 0.000 1.270 780 V CB -0.879 30.966 31.823 0.037 0.000 0.814 780 V HN 0.837 nan 8.190 nan 0.000 0.457 781 D N 3.843 124.157 120.400 -0.143 0.000 2.697 781 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 781 D C 0.420 176.056 176.300 -1.106 0.000 1.167 781 D CA 1.586 55.263 54.000 -0.539 0.000 0.656 781 D CB -0.324 40.378 40.800 -0.163 0.000 1.025 781 D HN 1.017 nan 8.370 nan 0.000 0.419 782 R N -4.082 115.582 120.500 -1.394 0.000 3.176 782 R HA 0.235 4.575 4.340 -0.000 0.000 0.284 782 R C 0.251 176.557 176.300 0.011 0.000 0.985 782 R CA -0.783 54.875 56.100 -0.738 0.000 0.853 782 R CB -0.016 30.182 30.300 -0.171 0.000 1.309 782 R HN -0.199 nan 8.270 nan 0.000 0.528 783 T N 0.715 115.475 114.554 0.344 0.000 2.643 783 T HA 0.168 4.518 4.350 -0.000 0.000 0.256 783 T C 0.858 175.757 174.700 0.332 0.000 1.061 783 T CA 0.872 63.197 62.100 0.375 0.000 1.163 783 T CB -0.128 68.993 68.868 0.422 0.000 0.865 783 T HN 0.277 nan 8.240 nan 0.000 0.407 784 L N 0.882 122.301 121.223 0.326 0.000 2.298 784 L HA 0.361 4.701 4.340 -0.000 0.000 0.268 784 L C -1.624 175.373 176.870 0.211 0.000 1.010 784 L CA -2.350 52.590 54.840 0.166 0.000 0.812 784 L CB 1.526 43.369 42.059 -0.360 0.000 1.331 784 L HN -0.036 nan 8.230 nan 0.000 0.450 785 P HA -0.040 nan 4.420 nan 0.000 0.249 785 P C 0.546 177.894 177.300 0.081 0.000 1.229 785 P CA 0.948 63.996 63.100 -0.085 0.000 0.788 785 P CB -0.036 31.523 31.700 -0.236 0.000 1.072 786 H N -1.208 117.719 119.070 -0.237 0.000 2.555 786 H HA 0.257 4.813 4.556 -0.000 0.000 0.283 786 H C 0.071 175.250 175.328 -0.248 0.000 1.037 786 H CA -0.269 55.596 56.048 -0.306 0.000 1.169 786 H CB -0.291 29.192 29.762 -0.465 0.000 1.375 786 H HN 0.183 nan 8.280 nan 0.000 0.582 787 F N -0.022 120.017 119.950 0.149 0.000 2.588 787 F HA 0.263 4.790 4.527 -0.000 0.000 0.310 787 F C 0.081 175.900 175.800 0.032 0.000 1.082 787 F CA -1.381 56.678 58.000 0.098 0.000 0.929 787 F CB 2.012 41.082 39.000 0.117 0.000 1.254 787 F HN -0.145 nan 8.300 nan 0.000 0.455 788 S N 2.348 118.193 115.700 0.242 0.000 2.505 788 S HA 0.166 4.636 4.470 -0.000 0.000 0.276 788 S C -0.149 174.488 174.600 0.063 0.000 1.274 788 S CA -0.812 57.453 58.200 0.107 0.000 1.053 788 S CB 0.523 63.773 63.200 0.083 0.000 0.919 788 S HN 0.415 nan 8.310 nan 0.000 0.490 789 K N 1.982 122.387 120.400 0.008 0.000 2.584 789 K HA -0.129 4.191 4.320 -0.000 0.000 0.277 789 K C -0.069 176.522 176.600 -0.015 0.000 0.960 789 K CA 0.697 56.951 56.287 -0.055 0.000 0.975 789 K CB -0.086 32.382 32.500 -0.053 0.000 0.885 789 K HN 0.641 nan 8.250 nan 0.000 0.515 790 D N 0.549 120.923 120.400 -0.043 0.000 2.701 790 D HA -0.176 4.464 4.640 -0.000 0.000 0.235 790 D C -0.719 175.753 176.300 0.287 0.000 1.155 790 D CA 0.977 55.088 54.000 0.185 0.000 0.649 790 D CB -0.643 40.256 40.800 0.165 0.000 1.050 790 D HN 0.428 nan 8.370 nan 0.000 0.425 791 D N -0.178 120.356 120.400 0.223 0.000 2.467 791 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 791 D C 0.205 176.689 176.300 0.307 0.000 1.103 791 D CA -0.467 53.648 54.000 0.192 0.000 0.886 791 D CB 0.227 41.022 40.800 -0.009 0.000 1.025 791 D HN 0.163 nan 8.370 nan 0.000 0.514 792 Y N 1.539 121.952 120.300 0.189 0.000 2.519 792 Y HA -0.048 4.502 4.550 -0.000 0.000 0.287 792 Y C 1.706 177.680 175.900 0.124 0.000 1.128 792 Y CA 0.095 58.321 58.100 0.209 0.000 1.282 792 Y CB -0.241 38.400 38.460 0.301 0.000 1.027 792 Y HN 0.316 nan 8.280 nan 0.000 0.551 793 S N 1.961 117.781 115.700 0.201 0.000 2.550 793 S HA -0.075 4.395 4.470 -0.000 0.000 0.285 793 S C -1.231 173.391 174.600 0.036 0.000 1.326 793 S CA -0.728 57.531 58.200 0.098 0.000 1.037 793 S CB 0.635 63.858 63.200 0.037 0.000 0.838 793 S HN 0.147 nan 8.310 nan 0.000 0.519 794 P HA -0.137 nan 4.420 nan 0.000 0.216 794 P C 0.590 177.963 177.300 0.121 0.000 1.150 794 P CA 1.421 64.526 63.100 0.008 0.000 0.837 794 P CB -0.183 31.427 31.700 -0.150 0.000 0.786 795 E N -0.373 119.888 120.200 0.101 0.000 2.527 795 E HA -0.034 4.316 4.350 -0.000 0.000 0.204 795 E C 1.812 178.517 176.600 0.174 0.000 1.132 795 E CA 0.593 57.101 56.400 0.181 0.000 0.905 795 E CB -0.505 29.265 29.700 0.117 0.000 0.875 795 E HN 0.276 nan 8.360 nan 0.000 0.548 796 S N -0.752 115.002 115.700 0.090 0.000 3.171 796 S HA 0.056 4.526 4.470 -0.000 0.000 0.258 796 S C 1.332 175.996 174.600 0.106 0.000 1.083 796 S CA -0.349 57.893 58.200 0.069 0.000 0.801 796 S CB 0.202 63.172 63.200 -0.384 0.000 0.831 796 S HN -0.078 nan 8.310 nan 0.000 0.462 797 K N 1.683 122.079 120.400 -0.006 0.000 2.585 797 K HA 0.137 4.456 4.320 -0.000 0.000 0.194 797 K C 0.835 177.340 176.600 -0.158 0.000 1.037 797 K CA 0.851 57.058 56.287 -0.134 0.000 0.964 797 K CB -0.429 31.978 32.500 -0.156 0.000 0.787 797 K HN 0.683 nan 8.250 nan 0.000 0.488 798 G N 1.615 110.420 108.800 0.009 0.000 2.797 798 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.192 798 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.192 798 G C -0.911 174.194 174.900 0.341 0.000 1.101 798 G CA -0.650 44.567 45.100 0.195 0.000 0.930 798 G HN 0.204 nan 8.290 nan 0.000 0.512 799 F N 1.598 121.686 119.950 0.231 0.000 2.477 799 F HA 0.658 5.185 4.527 -0.000 0.000 0.335 799 F C -0.047 175.822 175.800 0.115 0.000 1.130 799 F CA -1.103 56.973 58.000 0.126 0.000 0.948 799 F CB 1.977 41.025 39.000 0.080 0.000 1.154 799 F HN 0.115 nan 8.300 nan 0.000 0.439 800 V N 7.356 126.932 119.914 -0.563 0.000 2.368 800 V HA 0.130 4.250 4.120 -0.000 0.000 0.266 800 V C 0.850 176.515 176.094 -0.714 0.000 1.045 800 V CA -0.036 61.988 62.300 -0.460 0.000 0.899 800 V CB 1.121 32.703 31.823 -0.401 0.000 1.006 800 V HN 0.965 nan 8.190 nan 0.000 0.470 801 E N 4.408 124.421 120.200 -0.311 0.000 2.086 801 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 801 E C 1.000 177.527 176.600 -0.122 0.000 0.975 801 E CA 0.235 56.572 56.400 -0.105 0.000 0.813 801 E CB 0.295 30.101 29.700 0.175 0.000 0.768 801 E HN 0.763 nan 8.360 nan 0.000 0.457 802 N N 1.000 119.624 118.700 -0.127 0.000 2.260 802 N HA -0.023 4.717 4.740 -0.000 0.000 0.230 802 N C -0.166 175.222 175.510 -0.205 0.000 1.323 802 N CA 0.701 53.678 53.050 -0.122 0.000 0.897 802 N CB 0.825 39.252 38.487 -0.101 0.000 1.146 802 N HN 0.107 nan 8.380 nan 0.000 0.460 803 S N -1.132 114.472 115.700 -0.160 0.000 2.664 803 S HA 0.333 4.803 4.470 -0.000 0.000 0.304 803 S C 0.701 175.197 174.600 -0.172 0.000 1.099 803 S CA -0.755 57.333 58.200 -0.186 0.000 1.003 803 S CB 0.559 63.718 63.200 -0.067 0.000 1.092 803 S HN 0.520 nan 8.310 nan 0.000 0.525 804 Y N -0.028 120.240 120.300 -0.053 0.000 2.556 804 Y HA -0.084 4.466 4.550 -0.000 0.000 0.290 804 Y C 1.979 177.869 175.900 -0.016 0.000 1.149 804 Y CA 0.645 58.725 58.100 -0.033 0.000 1.329 804 Y CB -0.139 38.305 38.460 -0.027 0.000 0.975 804 Y HN 0.597 nan 8.280 nan 0.000 0.561 805 L N 0.068 121.356 121.223 0.107 0.000 2.068 805 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 805 L C 2.209 179.101 176.870 0.036 0.000 1.076 805 L CA 1.524 56.404 54.840 0.065 0.000 0.753 805 L CB -0.408 41.679 42.059 0.046 0.000 0.910 805 L HN -0.049 nan 8.230 nan 0.000 0.439 806 R N 0.000 120.507 120.500 0.011 0.000 2.062 806 R HA 0.246 4.586 4.340 -0.000 0.000 0.229 806 R C 0.293 176.592 176.300 -0.003 0.000 1.128 806 R CA 0.782 56.880 56.100 -0.002 0.000 0.960 806 R CB -0.451 29.838 30.300 -0.018 0.000 0.855 806 R HN 0.513 nan 8.270 nan 0.000 0.432 807 G N 0.581 109.373 108.800 -0.012 0.000 3.367 807 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.686 807 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.686 807 G C -0.796 174.090 174.900 -0.024 0.000 1.146 807 G CA -1.062 44.037 45.100 -0.001 0.000 0.913 807 G HN -0.016 nan 8.290 nan 0.000 0.554 808 L N 1.200 122.414 121.223 -0.014 0.000 2.453 808 L HA 0.571 4.911 4.340 -0.000 0.000 0.274 808 L C 1.844 178.721 176.870 0.011 0.000 1.270 808 L CA 1.066 55.903 54.840 -0.004 0.000 0.822 808 L CB 0.279 42.392 42.059 0.089 0.000 1.091 808 L HN 1.125 nan 8.230 nan 0.000 0.546 809 T N -2.772 111.793 114.554 0.018 0.000 2.940 809 T HA 0.488 4.838 4.350 -0.000 0.000 0.288 809 T C -2.026 172.694 174.700 0.032 0.000 1.033 809 T CA -1.945 60.160 62.100 0.010 0.000 1.033 809 T CB 1.731 70.606 68.868 0.012 0.000 1.079 809 T HN 0.349 nan 8.240 nan 0.000 0.496 810 P HA -0.248 nan 4.420 nan 0.000 0.218 810 P C 1.476 178.783 177.300 0.012 0.000 1.165 810 P CA 1.696 64.827 63.100 0.051 0.000 0.922 810 P CB 0.003 31.721 31.700 0.029 0.000 0.794 811 Q N -0.458 119.250 119.800 -0.154 0.000 2.002 811 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 811 Q C 2.175 177.722 176.000 -0.756 0.000 0.988 811 Q CA 1.682 57.170 55.803 -0.524 0.000 0.843 811 Q CB -0.910 27.597 28.738 -0.385 0.000 0.908 811 Q HN 0.415 nan 8.270 nan 0.000 0.420 812 E N 0.159 120.154 120.200 -0.341 0.000 2.033 812 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 812 E C 1.865 178.444 176.600 -0.035 0.000 1.011 812 E CA 1.298 57.592 56.400 -0.176 0.000 0.815 812 E CB -0.460 29.210 29.700 -0.050 0.000 0.755 812 E HN 0.257 nan 8.360 nan 0.000 0.451 813 F N 1.231 121.134 119.950 -0.078 0.000 2.063 813 F HA -0.318 4.209 4.527 -0.000 0.000 0.298 813 F C 2.193 178.053 175.800 0.100 0.000 1.105 813 F CA 1.854 59.877 58.000 0.037 0.000 1.215 813 F CB -0.616 38.408 39.000 0.039 0.000 0.972 813 F HN -0.022 nan 8.300 nan 0.000 0.483 814 F N 0.107 119.997 119.950 -0.101 0.000 2.069 814 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 814 F C 2.277 178.087 175.800 0.017 0.000 1.113 814 F CA 1.970 59.891 58.000 -0.130 0.000 1.214 814 F CB -0.851 38.128 39.000 -0.036 0.000 0.978 814 F HN 0.044 nan 8.300 nan 0.000 0.474 815 F N -1.014 119.069 119.950 0.221 0.000 2.043 815 F HA -0.353 4.174 4.527 -0.000 0.000 0.297 815 F C 2.635 178.430 175.800 -0.007 0.000 1.121 815 F CA 1.207 59.278 58.000 0.118 0.000 1.199 815 F CB -1.095 37.997 39.000 0.153 0.000 0.968 815 F HN 0.089 nan 8.300 nan 0.000 0.478 816 H N 0.608 119.721 119.070 0.073 0.000 2.394 816 H HA -0.192 4.364 4.556 -0.000 0.000 0.297 816 H C 1.883 177.116 175.328 -0.158 0.000 1.113 816 H CA 1.250 57.269 56.048 -0.049 0.000 1.277 816 H CB -0.480 29.240 29.762 -0.070 0.000 1.370 816 H HN 0.243 nan 8.280 nan 0.000 0.506 817 A N 0.501 123.112 122.820 -0.347 0.000 1.823 817 A HA -0.202 4.118 4.320 -0.000 0.000 0.214 817 A C 2.538 179.896 177.584 -0.375 0.000 1.227 817 A CA 1.878 53.615 52.037 -0.499 0.000 0.616 817 A CB -1.082 17.505 19.000 -0.688 0.000 0.874 817 A HN 0.499 nan 8.150 nan 0.000 0.455 818 M N -0.503 118.858 119.600 -0.398 0.000 2.191 818 M HA -0.315 4.165 4.480 -0.000 0.000 0.246 818 M C 2.051 178.250 176.300 -0.168 0.000 1.085 818 M CA 1.993 57.136 55.300 -0.263 0.000 1.063 818 M CB -0.956 31.551 32.600 -0.154 0.000 1.336 818 M HN 0.611 nan 8.290 nan 0.000 0.398 819 G N -0.896 107.826 108.800 -0.129 0.000 2.404 819 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.214 819 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.214 819 G C 1.488 176.306 174.900 -0.136 0.000 1.189 819 G CA 0.803 45.848 45.100 -0.092 0.000 0.789 819 G HN 0.580 nan 8.290 nan 0.000 0.533 820 G N 0.927 109.584 108.800 -0.238 0.000 2.418 820 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 820 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 820 G C 1.850 176.635 174.900 -0.192 0.000 1.158 820 G CA 1.278 46.223 45.100 -0.258 0.000 0.771 820 G HN 0.513 nan 8.290 nan 0.000 0.545 821 R N 1.122 121.496 120.500 -0.210 0.000 2.139 821 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 821 R C 2.167 178.395 176.300 -0.121 0.000 1.145 821 R CA 2.138 58.137 56.100 -0.168 0.000 0.976 821 R CB -0.708 29.478 30.300 -0.191 0.000 0.866 821 R HN 0.532 nan 8.270 nan 0.000 0.449 822 E N -0.796 119.338 120.200 -0.110 0.000 2.077 822 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 822 E C 1.761 178.319 176.600 -0.069 0.000 0.989 822 E CA 1.355 57.707 56.400 -0.080 0.000 0.800 822 E CB -0.496 29.163 29.700 -0.068 0.000 0.746 822 E HN 0.540 nan 8.360 nan 0.000 0.452 823 G N 1.781 110.536 108.800 -0.074 0.000 2.587 823 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 823 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 823 G C 1.573 176.438 174.900 -0.059 0.000 1.240 823 G CA 1.095 46.159 45.100 -0.061 0.000 0.794 823 G HN 0.284 nan 8.290 nan 0.000 0.580 824 L N 0.178 121.359 121.223 -0.070 0.000 2.230 824 L HA -0.207 4.132 4.340 -0.000 0.000 0.217 824 L C 2.709 179.547 176.870 -0.053 0.000 1.090 824 L CA 0.721 55.524 54.840 -0.063 0.000 0.771 824 L CB -0.387 41.628 42.059 -0.074 0.000 0.892 824 L HN 0.312 nan 8.230 nan 0.000 0.438 825 I N -0.205 120.333 120.570 -0.054 0.000 2.330 825 I HA -0.221 3.949 4.170 -0.000 0.000 0.229 825 I C 2.246 178.341 176.117 -0.037 0.000 1.063 825 I CA 1.216 62.489 61.300 -0.045 0.000 1.367 825 I CB -0.526 37.445 38.000 -0.048 0.000 1.158 825 I HN 0.296 nan 8.210 nan 0.000 0.411 826 D N 0.209 120.588 120.400 -0.035 0.000 2.172 826 D HA -0.241 4.399 4.640 -0.000 0.000 0.196 826 D C 1.860 178.144 176.300 -0.026 0.000 0.999 826 D CA 2.034 56.017 54.000 -0.028 0.000 0.856 826 D CB -1.281 39.503 40.800 -0.026 0.000 0.934 826 D HN 0.197 nan 8.370 nan 0.000 0.453 827 T N -0.275 114.261 114.554 -0.030 0.000 2.685 827 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 827 T C 1.677 176.362 174.700 -0.025 0.000 1.034 827 T CA 2.010 64.093 62.100 -0.028 0.000 1.149 827 T CB -0.526 68.322 68.868 -0.033 0.000 0.860 827 T HN 0.475 nan 8.240 nan 0.000 0.449 828 A N -0.031 122.773 122.820 -0.026 0.000 2.359 828 A HA 0.435 4.754 4.320 -0.000 0.000 0.240 828 A C 1.623 179.195 177.584 -0.019 0.000 1.306 828 A CA 0.054 52.077 52.037 -0.023 0.000 0.898 828 A CB -0.022 18.963 19.000 -0.025 0.000 0.956 828 A HN 0.369 nan 8.150 nan 0.000 0.497 829 V N -1.721 118.183 119.914 -0.017 0.000 3.141 829 V HA 0.061 4.181 4.120 -0.000 0.000 0.225 829 V C 1.667 177.757 176.094 -0.006 0.000 1.352 829 V CA 0.754 63.046 62.300 -0.012 0.000 1.316 829 V CB -0.076 31.739 31.823 -0.014 0.000 1.126 829 V HN 0.285 nan 8.190 nan 0.000 0.493 830 K N 0.483 120.877 120.400 -0.010 0.000 2.616 830 K HA 0.005 4.325 4.320 -0.000 0.000 0.192 830 K C 1.688 178.282 176.600 -0.009 0.000 1.031 830 K CA 1.068 57.350 56.287 -0.009 0.000 1.004 830 K CB -0.232 32.259 32.500 -0.015 0.000 0.810 830 K HN 0.398 nan 8.250 nan 0.000 0.497 831 T N -1.554 112.994 114.554 -0.008 0.000 3.038 831 T HA 0.229 4.579 4.350 -0.000 0.000 0.244 831 T C 1.547 176.248 174.700 0.001 0.000 1.016 831 T CA 0.577 62.672 62.100 -0.009 0.000 1.098 831 T CB 0.191 69.051 68.868 -0.014 0.000 0.954 831 T HN 0.200 nan 8.240 nan 0.000 0.469 832 A N 0.967 123.789 122.820 0.003 0.000 1.874 832 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 832 A C 2.027 179.632 177.584 0.034 0.000 1.189 832 A CA 1.474 53.517 52.037 0.010 0.000 0.615 832 A CB -0.468 18.530 19.000 -0.003 0.000 0.830 832 A HN 0.519 nan 8.150 nan 0.000 0.443 833 E N -1.014 119.208 120.200 0.035 0.000 2.152 833 E HA -0.107 4.242 4.350 -0.000 0.000 0.192 833 E C 1.969 178.622 176.600 0.088 0.000 0.983 833 E CA 1.295 57.738 56.400 0.071 0.000 0.818 833 E CB -0.068 29.663 29.700 0.051 0.000 0.758 833 E HN 0.526 nan 8.360 nan 0.000 0.467 834 T N -0.519 114.061 114.554 0.043 0.000 2.684 834 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 834 T C 1.692 176.409 174.700 0.028 0.000 1.036 834 T CA 1.313 63.425 62.100 0.020 0.000 1.148 834 T CB -0.643 68.221 68.868 -0.007 0.000 0.863 834 T HN 0.431 nan 8.240 nan 0.000 0.436 835 G N -0.249 108.574 108.800 0.038 0.000 2.505 835 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 835 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 835 G C 1.363 176.316 174.900 0.088 0.000 1.145 835 G CA 1.216 46.342 45.100 0.043 0.000 0.761 835 G HN 0.531 nan 8.290 nan 0.000 0.571 836 Y N 1.236 121.530 120.300 -0.011 0.000 2.109 836 Y HA -0.016 4.534 4.550 -0.000 0.000 0.285 836 Y C 2.729 178.625 175.900 -0.007 0.000 1.131 836 Y CA 1.070 59.172 58.100 0.004 0.000 1.121 836 Y CB -0.572 37.903 38.460 0.026 0.000 0.987 836 Y HN 0.182 nan 8.280 nan 0.000 0.495 837 I N 0.234 120.775 120.570 -0.049 0.000 2.091 837 I HA -0.455 3.714 4.170 -0.000 0.000 0.240 837 I C 2.684 178.699 176.117 -0.169 0.000 1.046 837 I CA 2.014 63.230 61.300 -0.140 0.000 1.306 837 I CB -0.658 37.317 38.000 -0.042 0.000 1.018 837 I HN 0.341 nan 8.210 nan 0.000 0.404 838 Q N 0.836 120.569 119.800 -0.112 0.000 2.096 838 Q HA -0.284 4.056 4.340 -0.000 0.000 0.208 838 Q C 2.322 178.228 176.000 -0.157 0.000 0.993 838 Q CA 1.996 57.726 55.803 -0.122 0.000 0.862 838 Q CB -0.273 28.410 28.738 -0.091 0.000 0.915 838 Q HN 0.464 nan 8.270 nan 0.000 0.416 839 R N -0.150 120.253 120.500 -0.162 0.000 2.062 839 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 839 R C 2.424 178.535 176.300 -0.314 0.000 1.136 839 R CA 1.313 57.296 56.100 -0.195 0.000 0.948 839 R CB -0.037 30.186 30.300 -0.127 0.000 0.845 839 R HN 0.152 nan 8.270 nan 0.000 0.430 840 R N 0.619 120.862 120.500 -0.427 0.000 2.132 840 R HA -0.190 4.150 4.340 -0.000 0.000 0.233 840 R C 2.463 178.553 176.300 -0.351 0.000 1.125 840 R CA 2.221 58.049 56.100 -0.452 0.000 0.914 840 R CB -1.009 29.050 30.300 -0.402 0.000 0.845 840 R HN 0.213 nan 8.270 nan 0.000 0.431 841 L N 0.303 121.359 121.223 -0.278 0.000 2.119 841 L HA -0.380 3.960 4.340 -0.000 0.000 0.226 841 L C 2.414 179.117 176.870 -0.280 0.000 1.093 841 L CA 1.734 56.424 54.840 -0.251 0.000 0.806 841 L CB -0.720 41.230 42.059 -0.183 0.000 0.902 841 L HN 0.166 nan 8.230 nan 0.000 0.444 842 V N -0.891 118.872 119.914 -0.252 0.000 2.229 842 V HA -0.258 3.862 4.120 -0.000 0.000 0.243 842 V C 2.479 178.418 176.094 -0.258 0.000 1.042 842 V CA 1.645 63.811 62.300 -0.224 0.000 1.000 842 V CB -0.515 31.201 31.823 -0.179 0.000 0.637 842 V HN 0.359 nan 8.190 nan 0.000 0.446 843 K N 0.284 120.510 120.400 -0.290 0.000 2.218 843 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 843 K C 2.072 178.478 176.600 -0.324 0.000 1.046 843 K CA 1.580 57.718 56.287 -0.248 0.000 0.933 843 K CB -0.736 31.557 32.500 -0.345 0.000 0.728 843 K HN 0.520 nan 8.250 nan 0.000 0.454 844 A N 0.170 122.585 122.820 -0.674 0.000 2.119 844 A HA -0.001 4.318 4.320 -0.000 0.000 0.216 844 A C 1.681 178.920 177.584 -0.575 0.000 1.152 844 A CA 0.781 52.093 52.037 -1.208 0.000 0.708 844 A CB -0.050 18.134 19.000 -1.361 0.000 0.805 844 A HN 0.261 nan 8.150 nan 0.000 0.460 845 L N -1.874 119.142 121.223 -0.344 0.000 3.135 845 L HA 0.197 4.536 4.340 -0.000 0.000 0.279 845 L C 1.247 178.030 176.870 -0.146 0.000 1.200 845 L CA -0.136 54.578 54.840 -0.211 0.000 1.016 845 L CB -0.309 41.646 42.059 -0.173 0.000 1.391 845 L HN 0.238 nan 8.230 nan 0.000 0.588 846 E N 2.114 122.230 120.200 -0.140 0.000 2.041 846 E HA -0.331 4.018 4.350 -0.000 0.000 0.227 846 E C 1.338 177.888 176.600 -0.083 0.000 1.039 846 E CA 2.284 58.623 56.400 -0.101 0.000 0.904 846 E CB -0.400 29.255 29.700 -0.075 0.000 0.808 846 E HN 0.613 nan 8.360 nan 0.000 0.510 847 D N 1.170 121.535 120.400 -0.058 0.000 2.311 847 D HA -0.211 4.429 4.640 -0.000 0.000 0.204 847 D C 0.652 176.929 176.300 -0.037 0.000 1.000 847 D CA 1.072 55.051 54.000 -0.035 0.000 0.910 847 D CB -0.735 40.062 40.800 -0.006 0.000 0.900 847 D HN 0.225 nan 8.370 nan 0.000 0.463 848 I N 0.874 121.410 120.570 -0.057 0.000 2.496 848 I HA 0.208 4.378 4.170 -0.000 0.000 0.285 848 I C 0.657 176.712 176.117 -0.104 0.000 1.080 848 I CA -0.235 61.031 61.300 -0.056 0.000 1.404 848 I CB 0.458 38.426 38.000 -0.053 0.000 1.403 848 I HN 0.118 nan 8.210 nan 0.000 0.539 849 M N 4.649 124.167 119.600 -0.136 0.000 2.880 849 M HA 0.554 5.034 4.480 -0.000 0.000 0.269 849 M C -1.851 174.293 176.300 -0.260 0.000 1.248 849 M CA -0.930 54.229 55.300 -0.236 0.000 0.821 849 M CB 2.044 34.461 32.600 -0.306 0.000 1.650 849 M HN 0.054 nan 8.290 nan 0.000 0.479 850 V N 2.550 122.290 119.914 -0.289 0.000 2.406 850 V HA 0.355 4.475 4.120 -0.000 0.000 0.272 850 V C -0.170 175.753 176.094 -0.284 0.000 1.043 850 V CA -0.228 61.954 62.300 -0.198 0.000 0.915 850 V CB 0.574 32.297 31.823 -0.167 0.000 0.988 850 V HN 0.672 nan 8.190 nan 0.000 0.466 851 H N 3.814 122.849 119.070 -0.059 0.000 2.482 851 H HA 0.202 4.758 4.556 -0.000 0.000 0.344 851 H C 0.659 175.982 175.328 -0.008 0.000 1.151 851 H CA -0.192 55.818 56.048 -0.062 0.000 1.300 851 H CB 1.099 30.861 29.762 0.001 0.000 1.494 851 H HN 0.656 nan 8.280 nan 0.000 0.542 852 Y N 0.790 121.206 120.300 0.192 0.000 2.219 852 Y HA -0.329 4.221 4.550 -0.000 0.000 0.283 852 Y C 2.058 178.019 175.900 0.102 0.000 1.191 852 Y CA 1.476 59.651 58.100 0.124 0.000 1.199 852 Y CB 0.150 38.680 38.460 0.117 0.000 0.972 852 Y HN 0.683 nan 8.280 nan 0.000 0.527 853 D N -1.697 118.865 120.400 0.269 0.000 2.363 853 D HA -0.154 4.486 4.640 -0.000 0.000 0.220 853 D C 0.331 176.729 176.300 0.164 0.000 0.994 853 D CA 0.755 54.865 54.000 0.185 0.000 0.890 853 D CB -0.383 40.508 40.800 0.152 0.000 0.906 853 D HN 0.204 nan 8.370 nan 0.000 0.530 854 N N -1.061 117.740 118.700 0.169 0.000 2.921 854 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 854 N C -0.950 174.654 175.510 0.157 0.000 1.118 854 N CA 1.000 54.136 53.050 0.143 0.000 0.740 854 N CB -1.515 37.048 38.487 0.126 0.000 1.091 854 N HN 0.406 nan 8.380 nan 0.000 0.553 855 T N -0.551 114.102 114.554 0.165 0.000 2.950 855 T HA 0.512 4.862 4.350 -0.000 0.000 0.288 855 T C -0.246 174.532 174.700 0.130 0.000 1.035 855 T CA 0.083 62.276 62.100 0.155 0.000 1.028 855 T CB 1.400 70.359 68.868 0.152 0.000 1.109 855 T HN 0.043 nan 8.240 nan 0.000 0.514 856 T N 4.122 118.724 114.554 0.080 0.000 2.821 856 T HA 0.535 4.885 4.350 -0.000 0.000 0.307 856 T C -0.312 174.411 174.700 0.038 0.000 1.034 856 T CA -0.526 61.616 62.100 0.070 0.000 0.953 856 T CB 0.289 69.211 68.868 0.090 0.000 0.968 856 T HN 0.470 nan 8.240 nan 0.000 0.462 857 R N 2.143 122.716 120.500 0.121 0.000 2.912 857 R HA 0.554 4.894 4.340 -0.000 0.000 0.262 857 R C 0.504 176.865 176.300 0.101 0.000 1.057 857 R CA -1.098 55.056 56.100 0.091 0.000 0.981 857 R CB 1.679 32.026 30.300 0.079 0.000 1.201 857 R HN 0.708 nan 8.270 nan 0.000 0.484 858 N N -1.386 117.347 118.700 0.055 0.000 2.786 858 N HA 0.091 4.831 4.740 -0.000 0.000 0.315 858 N C 0.478 176.031 175.510 0.071 0.000 1.359 858 N CA -0.507 52.571 53.050 0.047 0.000 0.846 858 N CB 0.421 38.918 38.487 0.016 0.000 1.117 858 N HN 0.439 nan 8.380 nan 0.000 0.541 859 S N -0.728 114.999 115.700 0.046 0.000 2.522 859 S HA 0.075 4.545 4.470 -0.000 0.000 0.227 859 S C 1.783 176.400 174.600 0.029 0.000 0.986 859 S CA 0.112 58.339 58.200 0.044 0.000 0.929 859 S CB -0.510 62.712 63.200 0.036 0.000 0.769 859 S HN 0.430 nan 8.310 nan 0.000 0.529 860 L N 0.491 121.727 121.223 0.022 0.000 2.130 860 L HA 0.359 4.699 4.340 -0.000 0.000 0.200 860 L C 2.171 179.035 176.870 -0.010 0.000 1.075 860 L CA 1.035 55.882 54.840 0.012 0.000 0.768 860 L CB -0.475 41.595 42.059 0.018 0.000 0.933 860 L HN 0.577 nan 8.230 nan 0.000 0.451 861 G N -1.440 107.347 108.800 -0.021 0.000 2.902 861 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 861 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 861 G C -0.306 174.569 174.900 -0.042 0.000 0.976 861 G CA -0.645 44.420 45.100 -0.058 0.000 0.794 861 G HN 0.222 nan 8.290 nan 0.000 0.557 862 N N 1.505 120.191 118.700 -0.023 0.000 2.414 862 N HA 0.340 5.080 4.740 -0.000 0.000 0.268 862 N C 0.658 176.126 175.510 -0.071 0.000 1.286 862 N CA 0.217 53.248 53.050 -0.031 0.000 0.896 862 N CB 1.325 39.804 38.487 -0.014 0.000 1.093 862 N HN 0.189 nan 8.380 nan 0.000 0.480 863 V N 3.277 123.113 119.914 -0.130 0.000 2.872 863 V HA 0.018 4.138 4.120 -0.000 0.000 0.307 863 V C 1.534 177.461 176.094 -0.279 0.000 1.072 863 V CA 0.481 62.615 62.300 -0.277 0.000 1.148 863 V CB 0.483 31.945 31.823 -0.602 0.000 0.954 863 V HN 0.644 nan 8.190 nan 0.000 0.490 864 I N 1.389 121.807 120.570 -0.253 0.000 4.228 864 I HA 0.205 4.375 4.170 -0.000 0.000 0.298 864 I C 0.515 176.528 176.117 -0.174 0.000 1.206 864 I CA 0.252 61.457 61.300 -0.158 0.000 1.322 864 I CB 0.506 38.467 38.000 -0.066 0.000 1.411 864 I HN 0.548 nan 8.210 nan 0.000 0.454 865 Q N -0.095 119.600 119.800 -0.175 0.000 2.331 865 Q HA 0.383 4.723 4.340 -0.000 0.000 0.272 865 Q C -0.693 175.238 176.000 -0.116 0.000 1.062 865 Q CA -0.524 55.232 55.803 -0.079 0.000 0.806 865 Q CB 2.543 31.316 28.738 0.059 0.000 1.312 865 Q HN 0.092 nan 8.270 nan 0.000 0.431 866 F N 1.207 121.198 119.950 0.070 0.000 2.780 866 F HA 0.217 4.744 4.527 -0.000 0.000 0.299 866 F C 0.381 176.227 175.800 0.076 0.000 1.146 866 F CA 0.525 58.565 58.000 0.067 0.000 1.428 866 F CB 0.638 39.668 39.000 0.050 0.000 1.115 866 F HN 0.338 nan 8.300 nan 0.000 0.583 867 I N -1.252 119.453 120.570 0.225 0.000 2.637 867 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 867 I C -1.024 175.188 176.117 0.158 0.000 1.222 867 I CA -0.979 60.426 61.300 0.174 0.000 1.067 867 I CB 0.834 38.916 38.000 0.136 0.000 1.279 867 I HN -0.223 nan 8.210 nan 0.000 0.441 868 Y N 6.744 127.081 120.300 0.060 0.000 2.916 868 Y HA 0.208 4.758 4.550 -0.000 0.000 0.344 868 Y C 1.410 177.345 175.900 0.058 0.000 1.282 868 Y CA 1.364 59.493 58.100 0.048 0.000 1.604 868 Y CB 0.147 38.627 38.460 0.033 0.000 1.207 868 Y HN 0.896 nan 8.280 nan 0.000 0.561 869 G N 4.574 113.100 108.800 -0.456 0.000 2.179 869 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.257 869 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.257 869 G C 0.361 175.189 174.900 -0.120 0.000 1.010 869 G CA 0.447 45.301 45.100 -0.409 0.000 0.736 869 G HN 0.969 nan 8.290 nan 0.000 0.513 870 E N -1.343 118.844 120.200 -0.021 0.000 2.883 870 E HA -0.296 4.053 4.350 -0.000 0.000 0.271 870 E C 1.050 177.636 176.600 -0.023 0.000 1.049 870 E CA 1.414 57.822 56.400 0.013 0.000 0.817 870 E CB -0.570 29.143 29.700 0.022 0.000 1.407 870 E HN 0.950 nan 8.360 nan 0.000 0.434 871 D N -2.776 117.600 120.400 -0.040 0.000 2.310 871 D HA 0.041 4.681 4.640 -0.000 0.000 0.470 871 D C 1.058 177.343 176.300 -0.026 0.000 1.038 871 D CA 0.670 54.651 54.000 -0.031 0.000 1.012 871 D CB -0.561 40.201 40.800 -0.063 0.000 1.458 871 D HN 0.352 nan 8.370 nan 0.000 0.457 872 G N 1.183 109.974 108.800 -0.016 0.000 2.168 872 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 872 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 872 G C -0.046 174.855 174.900 0.001 0.000 0.997 872 G CA 0.862 45.986 45.100 0.040 0.000 0.708 872 G HN 0.393 nan 8.290 nan 0.000 0.520 873 M N 0.832 120.404 119.600 -0.047 0.000 2.300 873 M HA 0.487 4.967 4.480 -0.000 0.000 0.348 873 M C -0.111 176.245 176.300 0.093 0.000 1.151 873 M CA -1.519 53.741 55.300 -0.067 0.000 1.046 873 M CB 1.455 33.971 32.600 -0.139 0.000 1.647 873 M HN 0.136 nan 8.290 nan 0.000 0.451 874 D N 2.835 123.325 120.400 0.150 0.000 2.338 874 D HA 0.341 4.981 4.640 -0.000 0.000 0.255 874 D C 0.992 177.419 176.300 0.211 0.000 1.237 874 D CA 0.329 54.490 54.000 0.267 0.000 0.883 874 D CB 0.866 41.851 40.800 0.308 0.000 1.087 874 D HN 0.717 nan 8.370 nan 0.000 0.485 875 A N 4.657 127.593 122.820 0.194 0.000 1.984 875 A HA -0.319 4.001 4.320 -0.000 0.000 0.224 875 A C 2.214 179.837 177.584 0.064 0.000 1.256 875 A CA 2.737 54.839 52.037 0.108 0.000 0.679 875 A CB -1.053 18.027 19.000 0.132 0.000 0.829 875 A HN 0.763 nan 8.150 nan 0.000 0.483 876 A N -1.280 121.551 122.820 0.019 0.000 1.948 876 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 876 A C 1.359 178.816 177.584 -0.212 0.000 1.177 876 A CA 1.409 53.364 52.037 -0.136 0.000 0.636 876 A CB -0.771 18.066 19.000 -0.273 0.000 0.815 876 A HN 0.732 nan 8.150 nan 0.000 0.449 877 H N -0.584 118.506 119.070 0.034 0.000 2.745 877 H HA 0.561 5.117 4.556 -0.000 0.000 0.235 877 H C -0.893 174.433 175.328 -0.003 0.000 1.815 877 H CA 0.097 56.147 56.048 0.003 0.000 1.321 877 H CB -0.510 29.220 29.762 -0.054 0.000 1.716 877 H HN 0.342 nan 8.280 nan 0.000 0.546 878 I N 1.312 121.950 120.570 0.113 0.000 2.787 878 I HA 0.199 4.369 4.170 -0.000 0.000 0.294 878 I C -0.756 175.457 176.117 0.159 0.000 1.365 878 I CA -0.670 60.695 61.300 0.109 0.000 1.029 878 I CB 2.928 40.987 38.000 0.098 0.000 1.313 878 I HN 0.256 nan 8.210 nan 0.000 0.431 879 E N 3.445 123.733 120.200 0.145 0.000 2.413 879 E HA 0.420 4.770 4.350 -0.000 0.000 0.277 879 E C -1.494 175.187 176.600 0.135 0.000 0.958 879 E CA -1.246 55.259 56.400 0.176 0.000 0.779 879 E CB 2.580 32.348 29.700 0.112 0.000 1.278 879 E HN 0.341 nan 8.360 nan 0.000 0.456 880 K N 2.039 122.510 120.400 0.118 0.000 2.378 880 K HA 0.117 4.437 4.320 -0.000 0.000 0.288 880 K C -0.268 176.355 176.600 0.039 0.000 1.057 880 K CA 0.235 56.554 56.287 0.052 0.000 0.971 880 K CB 0.507 33.005 32.500 -0.003 0.000 0.975 880 K HN 0.325 nan 8.250 nan 0.000 0.475 881 Q N 0.662 120.490 119.800 0.047 0.000 2.486 881 Q HA 0.381 4.721 4.340 -0.000 0.000 0.274 881 Q C -0.619 175.394 176.000 0.022 0.000 1.076 881 Q CA -1.004 54.828 55.803 0.047 0.000 0.872 881 Q CB 2.042 30.832 28.738 0.087 0.000 1.383 881 Q HN 0.636 nan 8.270 nan 0.000 0.478 882 S N -0.115 115.600 115.700 0.025 0.000 2.502 882 S HA 0.522 4.991 4.470 -0.000 0.000 0.304 882 S C -0.458 174.165 174.600 0.039 0.000 1.097 882 S CA -0.816 57.391 58.200 0.012 0.000 1.045 882 S CB 0.537 63.732 63.200 -0.007 0.000 1.019 882 S HN 0.503 nan 8.310 nan 0.000 0.481 883 L N 3.564 124.811 121.223 0.040 0.000 2.422 883 L HA 0.271 4.611 4.340 -0.000 0.000 0.256 883 L C 0.797 177.694 176.870 0.046 0.000 1.202 883 L CA -0.499 54.366 54.840 0.042 0.000 1.119 883 L CB -0.289 41.785 42.059 0.024 0.000 1.383 883 L HN 0.788 nan 8.230 nan 0.000 0.411 884 D N 0.487 120.931 120.400 0.074 0.000 2.170 884 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 884 D C 1.684 178.042 176.300 0.097 0.000 1.004 884 D CA 1.830 55.893 54.000 0.104 0.000 0.860 884 D CB 0.146 41.054 40.800 0.180 0.000 0.931 884 D HN 0.478 nan 8.370 nan 0.000 0.448 885 T N 1.303 115.894 114.554 0.063 0.000 2.760 885 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 885 T C 2.082 176.804 174.700 0.036 0.000 1.047 885 T CA 0.599 62.708 62.100 0.015 0.000 1.139 885 T CB -0.095 68.765 68.868 -0.014 0.000 0.855 885 T HN 0.218 nan 8.240 nan 0.000 0.471 886 I N 0.124 120.713 120.570 0.031 0.000 2.130 886 I HA 0.056 4.225 4.170 -0.000 0.000 0.234 886 I C 1.748 177.888 176.117 0.039 0.000 1.067 886 I CA 0.529 61.845 61.300 0.025 0.000 1.339 886 I CB -0.689 37.321 38.000 0.016 0.000 1.073 886 I HN 0.244 nan 8.210 nan 0.000 0.405 887 G N 0.240 109.048 108.800 0.014 0.000 2.483 887 G HA2 0.451 4.411 3.960 -0.000 0.000 0.248 887 G HA3 0.451 4.411 3.960 -0.000 0.000 0.248 887 G C -0.225 174.727 174.900 0.085 0.000 1.248 887 G CA 0.499 45.616 45.100 0.028 0.000 0.838 887 G HN 0.669 nan 8.290 nan 0.000 0.566 888 G N -0.105 108.763 108.800 0.113 0.000 2.764 888 G HA2 0.404 4.364 3.960 -0.000 0.000 0.678 888 G HA3 0.404 4.364 3.960 -0.000 0.000 0.678 888 G C -0.031 174.934 174.900 0.110 0.000 1.341 888 G CA -0.089 45.080 45.100 0.115 0.000 0.836 888 G HN 1.826 nan 8.290 nan 0.000 0.632 889 S N 0.870 116.628 115.700 0.096 0.000 2.566 889 S HA 0.202 4.672 4.470 -0.000 0.000 0.280 889 S C 1.051 175.699 174.600 0.080 0.000 1.343 889 S CA 0.630 58.874 58.200 0.072 0.000 1.036 889 S CB 1.365 64.604 63.200 0.065 0.000 0.866 889 S HN 0.592 nan 8.310 nan 0.000 0.526 890 D N 1.764 122.186 120.400 0.037 0.000 2.228 890 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 890 D C 2.016 178.397 176.300 0.134 0.000 0.988 890 D CA 1.506 55.525 54.000 0.032 0.000 0.864 890 D CB -0.370 40.427 40.800 -0.005 0.000 0.928 890 D HN 0.727 nan 8.370 nan 0.000 0.469 891 A N 1.387 124.275 122.820 0.113 0.000 1.828 891 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 891 A C 2.433 180.110 177.584 0.154 0.000 1.203 891 A CA 2.316 54.426 52.037 0.121 0.000 0.614 891 A CB -1.079 17.970 19.000 0.081 0.000 0.844 891 A HN 0.224 nan 8.150 nan 0.000 0.445 892 A N -1.249 121.654 122.820 0.139 0.000 1.940 892 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 892 A C 2.057 179.762 177.584 0.200 0.000 1.190 892 A CA 2.087 54.206 52.037 0.138 0.000 0.647 892 A CB -0.957 18.116 19.000 0.123 0.000 0.821 892 A HN 0.759 nan 8.150 nan 0.000 0.457 893 F N 0.468 120.467 119.950 0.083 0.000 2.063 893 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 893 F C 2.277 178.195 175.800 0.197 0.000 1.109 893 F CA 2.534 60.589 58.000 0.091 0.000 1.212 893 F CB -0.429 38.567 39.000 -0.006 0.000 0.973 893 F HN 0.454 nan 8.300 nan 0.000 0.480 894 E N 0.174 120.585 120.200 0.352 0.000 2.012 894 E HA -0.329 4.020 4.350 -0.000 0.000 0.197 894 E C 2.287 178.944 176.600 0.095 0.000 1.007 894 E CA 1.631 58.199 56.400 0.280 0.000 0.816 894 E CB -0.363 29.485 29.700 0.247 0.000 0.762 894 E HN 0.355 nan 8.360 nan 0.000 0.451 895 K N 0.319 120.744 120.400 0.043 0.000 2.362 895 K HA -0.222 4.098 4.320 -0.000 0.000 0.202 895 K C 2.087 178.655 176.600 -0.052 0.000 1.045 895 K CA 1.253 57.514 56.287 -0.045 0.000 0.936 895 K CB 0.034 32.518 32.500 -0.027 0.000 0.747 895 K HN -0.017 nan 8.250 nan 0.000 0.467 896 R N -1.416 119.082 120.500 -0.003 0.000 2.140 896 R HA 0.022 4.362 4.340 -0.000 0.000 0.200 896 R C 1.147 177.348 176.300 -0.165 0.000 1.069 896 R CA 0.428 56.486 56.100 -0.070 0.000 1.088 896 R CB 0.167 30.477 30.300 0.017 0.000 1.012 896 R HN 0.149 nan 8.270 nan 0.000 0.500 897 Y N 0.023 120.176 120.300 -0.244 0.000 2.458 897 Y HA 0.271 4.821 4.550 -0.000 0.000 0.254 897 Y C 0.380 176.309 175.900 0.048 0.000 1.120 897 Y CA -0.238 57.738 58.100 -0.207 0.000 1.282 897 Y CB 0.251 38.393 38.460 -0.530 0.000 1.109 897 Y HN -0.124 nan 8.280 nan 0.000 0.526 898 R N 1.130 121.765 120.500 0.226 0.000 2.340 898 R HA 0.509 4.849 4.340 -0.000 0.000 0.300 898 R C -1.530 174.727 176.300 -0.072 0.000 1.069 898 R CA -0.127 55.984 56.100 0.018 0.000 0.984 898 R CB 0.407 30.609 30.300 -0.163 0.000 1.003 898 R HN -0.096 nan 8.270 nan 0.000 0.459 899 V N 4.642 124.501 119.914 -0.091 0.000 2.686 899 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 899 V C -1.226 174.828 176.094 -0.066 0.000 1.065 899 V CA -0.797 61.467 62.300 -0.059 0.000 0.894 899 V CB 2.021 33.823 31.823 -0.035 0.000 1.004 899 V HN 0.820 nan 8.190 nan 0.000 0.424 900 D N 3.963 124.348 120.400 -0.026 0.000 2.542 900 D HA 0.366 5.006 4.640 -0.000 0.000 0.252 900 D C 0.377 176.673 176.300 -0.007 0.000 1.222 900 D CA -0.380 53.607 54.000 -0.021 0.000 0.895 900 D CB 1.998 42.798 40.800 0.001 0.000 1.207 900 D HN 0.411 nan 8.370 nan 0.000 0.558 901 L N 3.045 124.257 121.223 -0.018 0.000 2.610 901 L HA 0.138 4.478 4.340 -0.000 0.000 0.232 901 L C 0.942 177.802 176.870 -0.016 0.000 1.149 901 L CA 0.497 55.328 54.840 -0.016 0.000 0.872 901 L CB 0.005 42.053 42.059 -0.018 0.000 0.992 901 L HN 0.340 nan 8.230 nan 0.000 0.447 902 L N 0.129 121.339 121.223 -0.021 0.000 2.959 902 L HA 0.359 4.698 4.340 -0.000 0.000 0.236 902 L C -0.416 176.433 176.870 -0.036 0.000 1.296 902 L CA -0.047 54.777 54.840 -0.027 0.000 1.047 902 L CB -0.339 41.701 42.059 -0.031 0.000 1.395 902 L HN 0.207 nan 8.230 nan 0.000 0.492 903 N N -1.099 117.586 118.700 -0.025 0.000 3.186 903 N HA 0.014 4.754 4.740 -0.000 0.000 0.230 903 N C 0.467 175.976 175.510 -0.002 0.000 1.062 903 N CA -0.142 52.887 53.050 -0.035 0.000 1.084 903 N CB 1.324 39.761 38.487 -0.083 0.000 1.662 903 N HN -0.009 nan 8.380 nan 0.000 0.627 904 T N 0.680 115.231 114.554 -0.006 0.000 2.869 904 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 904 T C 0.341 175.063 174.700 0.037 0.000 1.082 904 T CA 1.185 63.290 62.100 0.009 0.000 1.123 904 T CB -0.096 68.772 68.868 0.000 0.000 0.856 904 T HN 0.540 nan 8.240 nan 0.000 0.499 905 D N -0.647 119.801 120.400 0.081 0.000 2.474 905 D HA 0.077 4.716 4.640 -0.000 0.000 0.213 905 D C 0.626 177.103 176.300 0.294 0.000 1.120 905 D CA 0.272 54.370 54.000 0.162 0.000 0.836 905 D CB 0.268 41.176 40.800 0.181 0.000 1.019 905 D HN 0.384 nan 8.370 nan 0.000 0.507 906 H N -0.418 118.630 119.070 -0.036 0.000 2.674 906 H HA 0.299 4.855 4.556 -0.000 0.000 0.274 906 H C 0.071 175.368 175.328 -0.052 0.000 1.121 906 H CA -0.050 55.970 56.048 -0.046 0.000 1.132 906 H CB 0.589 30.317 29.762 -0.056 0.000 1.606 906 H HN -0.165 nan 8.280 nan 0.000 0.558 907 T N 0.609 115.196 114.554 0.056 0.000 2.936 907 T HA 0.426 4.776 4.350 -0.000 0.000 0.282 907 T C 0.241 174.932 174.700 -0.016 0.000 1.003 907 T CA -0.797 61.308 62.100 0.009 0.000 1.005 907 T CB 1.103 69.974 68.868 0.004 0.000 1.097 907 T HN 0.075 nan 8.240 nan 0.000 0.532 908 L N 2.395 123.601 121.223 -0.028 0.000 2.369 908 L HA 0.249 4.589 4.340 -0.000 0.000 0.279 908 L C 0.771 177.624 176.870 -0.030 0.000 1.108 908 L CA -0.589 54.227 54.840 -0.038 0.000 0.852 908 L CB 0.122 42.154 42.059 -0.045 0.000 1.169 908 L HN 0.597 nan 8.230 nan 0.000 0.452 909 D N 7.106 127.488 120.400 -0.029 0.000 2.434 909 D HA 0.011 4.651 4.640 -0.000 0.000 0.252 909 D C -1.264 175.022 176.300 -0.022 0.000 1.185 909 D CA -1.317 52.670 54.000 -0.022 0.000 0.886 909 D CB 1.520 42.307 40.800 -0.021 0.000 1.148 909 D HN 0.356 nan 8.370 nan 0.000 0.483 910 P HA -0.190 nan 4.420 nan 0.000 0.225 910 P C 1.009 178.299 177.300 -0.017 0.000 1.141 910 P CA 0.760 63.849 63.100 -0.019 0.000 0.774 910 P CB -0.014 31.677 31.700 -0.015 0.000 0.760 911 S N -1.662 114.029 115.700 -0.015 0.000 2.555 911 S HA 0.001 4.471 4.470 -0.000 0.000 0.230 911 S C 1.729 176.322 174.600 -0.011 0.000 0.978 911 S CA 0.332 58.526 58.200 -0.011 0.000 0.934 911 S CB -0.984 62.211 63.200 -0.008 0.000 0.766 911 S HN 0.179 nan 8.310 nan 0.000 0.533 912 L N -0.802 120.409 121.223 -0.019 0.000 2.519 912 L HA 0.498 4.837 4.340 -0.000 0.000 0.194 912 L C 0.462 177.314 176.870 -0.030 0.000 1.072 912 L CA -0.251 54.575 54.840 -0.023 0.000 0.845 912 L CB -0.390 41.648 42.059 -0.034 0.000 1.138 912 L HN 0.281 nan 8.230 nan 0.000 0.487 913 L N 0.607 121.809 121.223 -0.035 0.000 2.289 913 L HA 0.254 4.594 4.340 -0.000 0.000 0.285 913 L C 1.052 177.902 176.870 -0.033 0.000 1.049 913 L CA 0.149 54.965 54.840 -0.041 0.000 0.804 913 L CB 1.253 43.282 42.059 -0.049 0.000 1.195 913 L HN 0.120 nan 8.230 nan 0.000 0.428 914 E N 1.595 121.776 120.200 -0.033 0.000 2.049 914 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 914 E C 0.813 177.398 176.600 -0.025 0.000 1.007 914 E CA 1.816 58.200 56.400 -0.026 0.000 0.809 914 E CB 0.133 29.817 29.700 -0.027 0.000 0.749 914 E HN 0.824 nan 8.360 nan 0.000 0.450 915 S N -0.697 114.985 115.700 -0.029 0.000 2.815 915 S HA 0.231 4.701 4.470 -0.000 0.000 0.254 915 S C 1.108 175.692 174.600 -0.027 0.000 1.197 915 S CA -0.144 58.040 58.200 -0.027 0.000 1.216 915 S CB 0.673 63.855 63.200 -0.029 0.000 0.871 915 S HN 0.336 nan 8.310 nan 0.000 0.473 916 G N 2.732 111.517 108.800 -0.026 0.000 2.424 916 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 916 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 916 G C 1.684 176.572 174.900 -0.020 0.000 1.202 916 G CA 0.762 45.847 45.100 -0.025 0.000 0.793 916 G HN 0.776 nan 8.290 nan 0.000 0.534 917 S N 1.543 117.233 115.700 -0.017 0.000 2.399 917 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 917 S C 1.917 176.508 174.600 -0.014 0.000 1.022 917 S CA 1.735 59.926 58.200 -0.014 0.000 0.983 917 S CB -0.413 62.780 63.200 -0.012 0.000 0.803 917 S HN 0.726 nan 8.310 nan 0.000 0.480 918 E N 0.385 120.575 120.200 -0.015 0.000 2.463 918 E HA 0.258 4.608 4.350 -0.000 0.000 0.191 918 E C 1.399 177.990 176.600 -0.016 0.000 1.083 918 E CA 0.097 56.488 56.400 -0.015 0.000 0.872 918 E CB -0.253 29.438 29.700 -0.014 0.000 0.966 918 E HN 0.605 nan 8.360 nan 0.000 0.491 919 I N 0.235 120.795 120.570 -0.018 0.000 3.194 919 I HA 0.054 4.224 4.170 -0.000 0.000 0.271 919 I C 1.047 177.154 176.117 -0.017 0.000 1.150 919 I CA -0.425 60.864 61.300 -0.019 0.000 1.440 919 I CB 0.429 38.414 38.000 -0.024 0.000 1.276 919 I HN 0.201 nan 8.210 nan 0.000 0.457 920 L N 2.577 123.791 121.223 -0.016 0.000 2.841 920 L HA -0.138 4.202 4.340 -0.000 0.000 0.282 920 L C 1.030 177.892 176.870 -0.015 0.000 1.130 920 L CA 1.226 56.057 54.840 -0.015 0.000 0.996 920 L CB -0.235 41.816 42.059 -0.013 0.000 1.364 920 L HN 0.600 nan 8.230 nan 0.000 0.466 921 G N 2.544 111.335 108.800 -0.015 0.000 2.424 921 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.207 921 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.207 921 G C 0.237 175.128 174.900 -0.015 0.000 1.061 921 G CA 0.028 45.119 45.100 -0.016 0.000 0.657 921 G HN 0.718 nan 8.290 nan 0.000 0.508 922 D N 1.402 121.793 120.400 -0.014 0.000 2.982 922 D HA 0.015 4.655 4.640 -0.000 0.000 0.222 922 D C 1.613 177.905 176.300 -0.013 0.000 1.124 922 D CA 0.614 54.606 54.000 -0.013 0.000 0.810 922 D CB 0.286 41.078 40.800 -0.014 0.000 1.152 922 D HN 0.305 nan 8.370 nan 0.000 0.538 923 L N 4.077 125.293 121.223 -0.011 0.000 2.270 923 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 923 L C 2.330 179.195 176.870 -0.008 0.000 1.104 923 L CA 0.520 55.354 54.840 -0.010 0.000 0.804 923 L CB 0.040 42.093 42.059 -0.009 0.000 0.937 923 L HN 0.352 nan 8.230 nan 0.000 0.450 924 K N -0.253 120.142 120.400 -0.008 0.000 2.362 924 K HA -0.076 4.244 4.320 -0.000 0.000 0.200 924 K C 1.890 178.487 176.600 -0.006 0.000 1.046 924 K CA 0.779 57.063 56.287 -0.006 0.000 0.952 924 K CB 0.167 32.663 32.500 -0.006 0.000 0.753 924 K HN 0.304 nan 8.250 nan 0.000 0.466 925 L N 0.263 121.481 121.223 -0.009 0.000 2.127 925 L HA -0.085 4.254 4.340 -0.000 0.000 0.203 925 L C 2.233 179.099 176.870 -0.006 0.000 1.080 925 L CA 0.595 55.429 54.840 -0.009 0.000 0.768 925 L CB -0.325 41.725 42.059 -0.015 0.000 0.924 925 L HN 0.144 nan 8.230 nan 0.000 0.444 926 Q N 0.091 119.886 119.800 -0.008 0.000 2.376 926 Q HA -0.158 4.182 4.340 -0.000 0.000 0.211 926 Q C 2.099 178.099 176.000 0.001 0.000 0.986 926 Q CA 1.108 56.906 55.803 -0.008 0.000 0.886 926 Q CB -0.296 28.434 28.738 -0.013 0.000 0.927 926 Q HN 0.377 nan 8.270 nan 0.000 0.457 927 V N -0.178 119.738 119.914 0.004 0.000 2.446 927 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 927 V C 2.305 178.410 176.094 0.018 0.000 1.039 927 V CA 0.835 63.142 62.300 0.011 0.000 1.045 927 V CB -0.393 31.434 31.823 0.008 0.000 0.681 927 V HN 0.249 nan 8.190 nan 0.000 0.459 928 L N -0.662 120.569 121.223 0.013 0.000 1.976 928 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 928 L C 2.556 179.443 176.870 0.030 0.000 1.071 928 L CA 1.326 56.176 54.840 0.018 0.000 0.746 928 L CB -0.696 41.368 42.059 0.008 0.000 0.890 928 L HN 0.275 nan 8.230 nan 0.000 0.432 929 L N 0.021 121.257 121.223 0.022 0.000 2.051 929 L HA -0.307 4.033 4.340 -0.000 0.000 0.214 929 L C 2.261 179.169 176.870 0.062 0.000 1.076 929 L CA 2.023 56.882 54.840 0.032 0.000 0.758 929 L CB -1.108 40.955 42.059 0.007 0.000 0.890 929 L HN 0.392 nan 8.230 nan 0.000 0.433 930 D N -0.915 119.515 120.400 0.049 0.000 2.194 930 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 930 D C 2.083 178.450 176.300 0.111 0.000 0.964 930 D CA 0.561 54.607 54.000 0.076 0.000 0.846 930 D CB 0.239 41.064 40.800 0.041 0.000 0.962 930 D HN 0.422 nan 8.370 nan 0.000 0.490 931 E N 0.876 121.122 120.200 0.076 0.000 2.023 931 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 931 E C 1.948 178.601 176.600 0.088 0.000 1.003 931 E CA 0.924 57.365 56.400 0.068 0.000 0.809 931 E CB -0.053 29.673 29.700 0.042 0.000 0.755 931 E HN 0.338 nan 8.360 nan 0.000 0.449 932 E N 0.052 120.306 120.200 0.089 0.000 2.108 932 E HA -0.299 4.051 4.350 -0.000 0.000 0.203 932 E C 1.987 178.671 176.600 0.141 0.000 1.022 932 E CA 1.590 58.048 56.400 0.097 0.000 0.823 932 E CB -0.268 29.489 29.700 0.096 0.000 0.744 932 E HN 0.327 nan 8.360 nan 0.000 0.456 933 Y N 0.772 121.104 120.300 0.052 0.000 2.220 933 Y HA -0.042 4.508 4.550 -0.000 0.000 0.291 933 Y C 1.937 177.892 175.900 0.092 0.000 1.129 933 Y CA 1.593 59.740 58.100 0.079 0.000 1.161 933 Y CB 0.182 38.686 38.460 0.075 0.000 0.997 933 Y HN -0.085 nan 8.280 nan 0.000 0.522 934 K N -0.252 120.276 120.400 0.213 0.000 2.515 934 K HA -0.184 4.136 4.320 -0.000 0.000 0.196 934 K C 1.706 178.330 176.600 0.041 0.000 1.038 934 K CA 0.937 57.297 56.287 0.122 0.000 0.967 934 K CB 0.078 32.643 32.500 0.109 0.000 0.780 934 K HN 0.316 nan 8.250 nan 0.000 0.483 935 Q N 0.682 120.498 119.800 0.026 0.000 2.263 935 Q HA 0.076 4.416 4.340 -0.000 0.000 0.196 935 Q C 1.722 177.704 176.000 -0.030 0.000 0.965 935 Q CA 0.816 56.617 55.803 -0.002 0.000 0.851 935 Q CB -0.051 28.689 28.738 0.004 0.000 0.948 935 Q HN 0.162 nan 8.270 nan 0.000 0.516 936 L N 0.098 121.297 121.223 -0.039 0.000 2.137 936 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 936 L C 2.247 179.104 176.870 -0.023 0.000 1.085 936 L CA 0.937 55.749 54.840 -0.045 0.000 0.760 936 L CB -0.725 41.271 42.059 -0.105 0.000 0.893 936 L HN 0.130 nan 8.230 nan 0.000 0.434 937 V N 0.112 119.973 119.914 -0.088 0.000 2.270 937 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 937 V C 2.679 178.717 176.094 -0.094 0.000 1.043 937 V CA 2.046 64.265 62.300 -0.133 0.000 1.014 937 V CB -0.401 31.357 31.823 -0.107 0.000 0.645 937 V HN 0.459 nan 8.190 nan 0.000 0.447 938 K N -0.203 120.172 120.400 -0.041 0.000 2.032 938 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 938 K C 1.826 178.438 176.600 0.020 0.000 1.048 938 K CA 2.204 58.489 56.287 -0.004 0.000 0.927 938 K CB -0.324 32.181 32.500 0.008 0.000 0.712 938 K HN 0.440 nan 8.250 nan 0.000 0.441 939 D N 0.291 120.682 120.400 -0.016 0.000 2.126 939 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 939 D C 1.927 178.249 176.300 0.038 0.000 1.001 939 D CA 1.376 55.367 54.000 -0.016 0.000 0.841 939 D CB -0.175 40.593 40.800 -0.053 0.000 0.949 939 D HN 0.172 nan 8.370 nan 0.000 0.446 940 R N 0.786 121.263 120.500 -0.039 0.000 2.196 940 R HA -0.195 4.145 4.340 -0.000 0.000 0.227 940 R C 2.035 178.330 176.300 -0.008 0.000 1.108 940 R CA 1.862 57.913 56.100 -0.083 0.000 0.884 940 R CB -0.086 30.044 30.300 -0.284 0.000 0.839 940 R HN -0.019 nan 8.270 nan 0.000 0.431 941 K N 0.036 120.414 120.400 -0.036 0.000 2.052 941 K HA -0.251 4.069 4.320 -0.000 0.000 0.215 941 K C 2.088 178.708 176.600 0.032 0.000 1.053 941 K CA 2.068 58.345 56.287 -0.016 0.000 0.934 941 K CB -1.051 31.431 32.500 -0.030 0.000 0.717 941 K HN 0.323 nan 8.250 nan 0.000 0.450 942 F N 1.896 121.811 119.950 -0.058 0.000 2.063 942 F HA -0.262 4.264 4.527 -0.000 0.000 0.298 942 F C 2.162 177.936 175.800 -0.043 0.000 1.109 942 F CA 1.547 59.515 58.000 -0.053 0.000 1.212 942 F CB -0.247 38.724 39.000 -0.049 0.000 0.973 942 F HN -0.086 nan 8.300 nan 0.000 0.480 943 L N -0.047 121.401 121.223 0.374 0.000 2.017 943 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 943 L C 2.456 179.417 176.870 0.150 0.000 1.073 943 L CA 1.522 56.546 54.840 0.306 0.000 0.745 943 L CB -0.831 41.372 42.059 0.239 0.000 0.894 943 L HN 0.052 nan 8.230 nan 0.000 0.432 944 R N -0.048 120.509 120.500 0.096 0.000 2.357 944 R HA -0.115 4.225 4.340 -0.000 0.000 0.202 944 R C 1.690 177.984 176.300 -0.010 0.000 1.047 944 R CA 0.604 56.756 56.100 0.086 0.000 1.034 944 R CB -0.045 30.305 30.300 0.083 0.000 0.875 944 R HN 0.488 nan 8.270 nan 0.000 0.473 945 E N -0.736 119.394 120.200 -0.117 0.000 2.415 945 E HA -0.010 4.340 4.350 -0.000 0.000 0.197 945 E C 1.338 177.759 176.600 -0.299 0.000 1.007 945 E CA 0.166 56.435 56.400 -0.217 0.000 0.890 945 E CB 0.694 30.205 29.700 -0.315 0.000 0.891 945 E HN 0.059 nan 8.360 nan 0.000 0.496 946 V N -0.053 119.655 119.914 -0.343 0.000 2.521 946 V HA 0.015 4.134 4.120 -0.000 0.000 0.239 946 V C 0.463 176.200 176.094 -0.595 0.000 1.053 946 V CA 0.849 62.821 62.300 -0.548 0.000 1.073 946 V CB 0.052 31.442 31.823 -0.721 0.000 0.746 946 V HN 0.099 nan 8.190 nan 0.000 0.476 947 F N 0.522 120.353 119.950 -0.198 0.000 2.441 947 F HA 0.366 4.892 4.527 -0.000 0.000 0.337 947 F C 1.251 177.033 175.800 -0.031 0.000 1.182 947 F CA -0.324 57.582 58.000 -0.157 0.000 1.279 947 F CB 0.148 39.031 39.000 -0.196 0.000 1.614 947 F HN -0.169 nan 8.300 nan 0.000 0.574 948 V N 0.019 119.981 119.914 0.080 0.000 2.317 948 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 948 V C 2.133 178.343 176.094 0.194 0.000 1.065 948 V CA 1.987 64.354 62.300 0.112 0.000 1.049 948 V CB -0.325 31.516 31.823 0.030 0.000 0.651 948 V HN 0.591 nan 8.190 nan 0.000 0.450 949 D N 0.230 120.727 120.400 0.162 0.000 2.191 949 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 949 D C 1.938 178.254 176.300 0.027 0.000 1.003 949 D CA 2.231 56.311 54.000 0.133 0.000 0.867 949 D CB -0.237 40.653 40.800 0.149 0.000 0.926 949 D HN 0.668 nan 8.370 nan 0.000 0.450 950 G N 0.610 109.353 108.800 -0.096 0.000 2.179 950 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 950 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 950 G C 0.228 174.936 174.900 -0.320 0.000 0.990 950 G CA 0.381 45.071 45.100 -0.683 0.000 0.646 950 G HN 0.359 nan 8.290 nan 0.000 0.517 951 E N 0.837 121.011 120.200 -0.044 0.000 2.465 951 E HA 0.592 4.942 4.350 -0.000 0.000 0.260 951 E C 1.174 177.824 176.600 0.084 0.000 0.980 951 E CA 1.023 57.414 56.400 -0.014 0.000 0.927 951 E CB 0.812 30.545 29.700 0.055 0.000 0.934 951 E HN 0.773 nan 8.360 nan 0.000 0.459 952 A N 5.041 127.810 122.820 -0.084 0.000 2.259 952 A HA 0.128 4.448 4.320 -0.000 0.000 0.213 952 A C 0.172 177.693 177.584 -0.105 0.000 1.209 952 A CA -0.240 51.779 52.037 -0.029 0.000 0.910 952 A CB 0.136 19.101 19.000 -0.058 0.000 0.946 952 A HN 0.566 nan 8.150 nan 0.000 0.497 953 N N 0.301 118.762 118.700 -0.398 0.000 2.408 953 N HA 0.352 5.092 4.740 -0.000 0.000 0.257 953 N C -1.622 173.340 175.510 -0.913 0.000 1.064 953 N CA 0.330 53.115 53.050 -0.441 0.000 0.952 953 N CB 0.512 38.790 38.487 -0.349 0.000 1.093 953 N HN 0.446 nan 8.380 nan 0.000 0.490 954 W N 2.088 123.289 121.300 -0.166 0.000 3.033 954 W HA 0.396 5.056 4.660 -0.000 0.000 0.336 954 W C -2.099 174.402 176.519 -0.030 0.000 1.173 954 W CA -1.658 55.604 57.345 -0.139 0.000 1.185 954 W CB 1.138 30.444 29.460 -0.257 0.000 1.425 954 W HN 0.291 nan 8.180 nan 0.000 0.536 955 P HA 0.365 nan 4.420 nan 0.000 0.281 955 P C -0.978 176.440 177.300 0.197 0.000 1.252 955 P CA 0.340 63.568 63.100 0.212 0.000 0.778 955 P CB 1.382 33.238 31.700 0.260 0.000 0.895 956 L N 4.359 125.676 121.223 0.157 0.000 2.540 956 L HA 0.496 4.836 4.340 -0.000 0.000 0.256 956 L C -2.487 174.428 176.870 0.075 0.000 1.001 956 L CA -2.517 52.404 54.840 0.135 0.000 0.843 956 L CB 3.289 45.480 42.059 0.220 0.000 1.436 956 L HN 0.190 nan 8.230 nan 0.000 0.410 957 P HA 0.143 nan 4.420 nan 0.000 0.274 957 P C -0.598 176.655 177.300 -0.078 0.000 1.246 957 P CA 0.002 63.023 63.100 -0.132 0.000 0.795 957 P CB 1.380 32.856 31.700 -0.374 0.000 1.006 958 V N -0.092 119.795 119.914 -0.046 0.000 3.683 958 V HA -0.219 3.901 4.120 -0.000 0.000 0.493 958 V C 0.467 176.626 176.094 0.108 0.000 0.682 958 V CA 0.391 62.717 62.300 0.042 0.000 2.008 958 V CB -1.422 30.472 31.823 0.120 0.000 2.427 958 V HN 0.891 nan 8.190 nan 0.000 0.505 959 N N 5.570 124.299 118.700 0.047 0.000 2.415 959 N HA 0.298 5.038 4.740 -0.000 0.000 0.250 959 N C 0.864 176.389 175.510 0.024 0.000 1.127 959 N CA -0.087 52.986 53.050 0.037 0.000 0.945 959 N CB 0.838 39.317 38.487 -0.013 0.000 1.196 959 N HN 0.678 nan 8.380 nan 0.000 0.499 960 I N 2.753 123.350 120.570 0.046 0.000 2.333 960 I HA -0.167 4.003 4.170 -0.000 0.000 0.246 960 I C 2.460 178.545 176.117 -0.053 0.000 1.106 960 I CA 0.317 61.612 61.300 -0.009 0.000 1.411 960 I CB -0.153 37.844 38.000 -0.005 0.000 1.082 960 I HN 0.563 nan 8.210 nan 0.000 0.420 961 R N 1.710 122.195 120.500 -0.025 0.000 2.136 961 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 961 R C 2.429 178.689 176.300 -0.067 0.000 1.131 961 R CA 2.200 58.278 56.100 -0.036 0.000 0.937 961 R CB -0.277 30.020 30.300 -0.004 0.000 0.863 961 R HN 0.289 nan 8.270 nan 0.000 0.435 962 R N 0.032 120.502 120.500 -0.050 0.000 2.092 962 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 962 R C 2.501 178.766 176.300 -0.059 0.000 1.119 962 R CA 1.384 57.450 56.100 -0.058 0.000 0.970 962 R CB -0.471 29.809 30.300 -0.033 0.000 0.864 962 R HN 0.389 nan 8.270 nan 0.000 0.440 963 I N 0.975 121.506 120.570 -0.064 0.000 2.315 963 I HA -0.328 3.842 4.170 -0.000 0.000 0.251 963 I C 2.019 178.111 176.117 -0.041 0.000 1.125 963 I CA 1.448 62.702 61.300 -0.077 0.000 1.392 963 I CB 0.067 37.991 38.000 -0.126 0.000 1.065 963 I HN 0.201 nan 8.210 nan 0.000 0.424 964 I N -0.158 120.347 120.570 -0.109 0.000 2.235 964 I HA -0.274 3.896 4.170 -0.000 0.000 0.241 964 I C 2.430 178.501 176.117 -0.077 0.000 1.085 964 I CA 0.886 62.103 61.300 -0.139 0.000 1.378 964 I CB -0.404 37.354 38.000 -0.403 0.000 1.076 964 I HN 0.252 nan 8.210 nan 0.000 0.415 965 Q N 0.744 120.462 119.800 -0.137 0.000 2.182 965 Q HA -0.282 4.058 4.340 -0.000 0.000 0.213 965 Q C 1.888 177.775 176.000 -0.188 0.000 1.000 965 Q CA 1.845 57.503 55.803 -0.242 0.000 0.889 965 Q CB -0.412 28.087 28.738 -0.399 0.000 0.932 965 Q HN 0.579 nan 8.270 nan 0.000 0.415 966 N N 0.314 119.002 118.700 -0.019 0.000 2.080 966 N HA -0.103 4.637 4.740 -0.000 0.000 0.189 966 N C 1.820 177.421 175.510 0.151 0.000 1.036 966 N CA 1.237 54.359 53.050 0.119 0.000 0.846 966 N CB -0.523 38.133 38.487 0.281 0.000 1.015 966 N HN 0.241 nan 8.380 nan 0.000 0.423 967 A N 2.372 125.392 122.820 0.333 0.000 1.940 967 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 967 A C 2.111 179.757 177.584 0.102 0.000 1.190 967 A CA 1.464 53.639 52.037 0.229 0.000 0.647 967 A CB -0.590 18.602 19.000 0.319 0.000 0.821 967 A HN 0.305 nan 8.150 nan 0.000 0.457 968 Q N -0.453 119.380 119.800 0.054 0.000 1.708 968 Q HA -0.283 4.057 4.340 -0.000 0.000 0.378 968 Q C 2.144 178.161 176.000 0.028 0.000 1.010 968 Q CA 2.081 57.906 55.803 0.037 0.000 0.892 968 Q CB -0.867 27.892 28.738 0.035 0.000 0.954 968 Q HN 1.002 nan 8.270 nan 0.000 0.405 969 Q N 0.134 119.950 119.800 0.026 0.000 2.591 969 Q HA -0.037 4.303 4.340 -0.000 0.000 0.219 969 Q C 1.032 176.873 176.000 -0.265 0.000 0.981 969 Q CA 1.376 57.150 55.803 -0.048 0.000 0.945 969 Q CB -0.171 28.619 28.738 0.086 0.000 0.985 969 Q HN 0.187 nan 8.270 nan 0.000 0.542 970 T N -0.671 113.757 114.554 -0.210 0.000 3.057 970 T HA 0.145 4.495 4.350 -0.000 0.000 0.254 970 T C -0.206 174.065 174.700 -0.715 0.000 1.094 970 T CA 0.318 62.145 62.100 -0.456 0.000 1.088 970 T CB 0.091 68.647 68.868 -0.520 0.000 0.934 970 T HN 0.365 nan 8.240 nan 0.000 0.497 971 F N 0.448 120.161 119.950 -0.395 0.000 2.791 971 F HA 0.337 4.864 4.527 -0.000 0.000 0.316 971 F C 0.332 176.050 175.800 -0.136 0.000 1.134 971 F CA -1.142 56.699 58.000 -0.266 0.000 1.222 971 F CB -0.221 38.649 39.000 -0.218 0.000 1.034 971 F HN 0.109 nan 8.300 nan 0.000 0.516 972 H N 0.627 119.723 119.070 0.044 0.000 2.484 972 H HA -0.192 4.364 4.556 -0.000 0.000 0.321 972 H C 0.713 176.040 175.328 -0.002 0.000 1.065 972 H CA 0.480 56.536 56.048 0.013 0.000 1.118 972 H CB -1.257 28.502 29.762 -0.006 0.000 1.511 972 H HN 0.322 nan 8.280 nan 0.000 0.403 973 I N 2.899 123.502 120.570 0.056 0.000 2.742 973 I HA -0.111 4.059 4.170 -0.000 0.000 0.287 973 I C 0.984 177.004 176.117 -0.161 0.000 1.186 973 I CA 0.515 61.790 61.300 -0.042 0.000 1.417 973 I CB 0.337 38.287 38.000 -0.082 0.000 1.377 973 I HN 0.233 nan 8.210 nan 0.000 0.556 974 D N 6.884 127.218 120.400 -0.110 0.000 2.249 974 D HA 0.045 4.685 4.640 -0.000 0.000 0.246 974 D C 0.684 176.906 176.300 -0.131 0.000 1.114 974 D CA -0.408 53.526 54.000 -0.110 0.000 0.854 974 D CB 0.886 41.675 40.800 -0.017 0.000 1.132 974 D HN 0.471 nan 8.370 nan 0.000 0.461 975 H N 1.480 120.577 119.070 0.045 0.000 2.563 975 H HA -0.047 4.509 4.556 -0.000 0.000 0.272 975 H C 1.504 176.843 175.328 0.019 0.000 1.005 975 H CA 1.126 57.193 56.048 0.033 0.000 1.171 975 H CB -0.013 29.770 29.762 0.035 0.000 1.351 975 H HN 0.651 nan 8.280 nan 0.000 0.602 976 T N -1.815 112.795 114.554 0.092 0.000 2.837 976 T HA 0.028 4.378 4.350 -0.000 0.000 0.242 976 T C 1.153 175.873 174.700 0.033 0.000 1.044 976 T CA -0.179 61.956 62.100 0.058 0.000 1.202 976 T CB 0.450 69.344 68.868 0.043 0.000 0.905 976 T HN 0.041 nan 8.240 nan 0.000 0.413 977 K N 2.740 123.152 120.400 0.020 0.000 2.234 977 K HA 0.268 4.588 4.320 -0.000 0.000 0.251 977 K C -2.234 174.370 176.600 0.006 0.000 1.011 977 K CA -1.372 54.921 56.287 0.009 0.000 0.889 977 K CB -0.023 32.480 32.500 0.005 0.000 1.011 977 K HN 0.368 nan 8.250 nan 0.000 0.505 978 P HA 0.042 nan 4.420 nan 0.000 0.281 978 P C -0.453 176.838 177.300 -0.015 0.000 1.264 978 P CA -0.425 62.670 63.100 -0.008 0.000 0.824 978 P CB 1.513 33.206 31.700 -0.012 0.000 1.092 979 S N 0.049 115.735 115.700 -0.024 0.000 2.602 979 S HA 0.153 4.623 4.470 -0.000 0.000 0.257 979 S C 0.367 174.943 174.600 -0.040 0.000 1.250 979 S CA 0.180 58.359 58.200 -0.035 0.000 0.986 979 S CB -0.276 62.895 63.200 -0.049 0.000 1.040 979 S HN 0.677 nan 8.310 nan 0.000 0.562 980 D N 0.223 120.592 120.400 -0.053 0.000 2.881 980 D HA 0.152 4.792 4.640 -0.000 0.000 0.325 980 D C -0.616 175.641 176.300 -0.072 0.000 1.621 980 D CA -0.207 53.763 54.000 -0.051 0.000 0.785 980 D CB -1.071 39.708 40.800 -0.035 0.000 1.233 980 D HN 0.374 nan 8.370 nan 0.000 0.447 981 L N 1.090 122.251 121.223 -0.104 0.000 2.289 981 L HA 0.424 4.764 4.340 -0.000 0.000 0.285 981 L C 0.465 177.259 176.870 -0.126 0.000 1.049 981 L CA -0.506 54.242 54.840 -0.152 0.000 0.804 981 L CB 1.478 43.383 42.059 -0.255 0.000 1.195 981 L HN -0.192 nan 8.230 nan 0.000 0.428 982 T N 2.375 116.862 114.554 -0.110 0.000 2.898 982 T HA 0.210 4.560 4.350 -0.000 0.000 0.301 982 T C 1.663 176.301 174.700 -0.104 0.000 1.049 982 T CA -0.372 61.678 62.100 -0.083 0.000 1.095 982 T CB 1.504 70.336 68.868 -0.061 0.000 0.976 982 T HN 0.442 nan 8.240 nan 0.000 0.539 983 I N 0.868 121.390 120.570 -0.080 0.000 2.454 983 I HA -0.153 4.017 4.170 -0.000 0.000 0.254 983 I C 2.501 178.575 176.117 -0.072 0.000 1.156 983 I CA 1.249 62.501 61.300 -0.080 0.000 1.433 983 I CB -0.240 37.728 38.000 -0.055 0.000 1.082 983 I HN 0.683 nan 8.210 nan 0.000 0.432 984 K N 0.565 120.931 120.400 -0.057 0.000 2.001 984 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 984 K C 1.717 178.286 176.600 -0.051 0.000 1.048 984 K CA 1.377 57.641 56.287 -0.039 0.000 0.932 984 K CB -0.194 32.290 32.500 -0.027 0.000 0.715 984 K HN 0.149 nan 8.250 nan 0.000 0.437 985 D N 1.122 121.477 120.400 -0.074 0.000 2.248 985 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 985 D C 1.812 178.036 176.300 -0.126 0.000 1.011 985 D CA 1.398 55.343 54.000 -0.092 0.000 0.868 985 D CB -0.261 40.451 40.800 -0.146 0.000 0.931 985 D HN 0.165 nan 8.370 nan 0.000 0.449 986 I N 0.160 120.588 120.570 -0.237 0.000 2.138 986 I HA -0.243 3.927 4.170 -0.000 0.000 0.225 986 I C 2.503 178.622 176.117 0.004 0.000 1.057 986 I CA 0.531 61.670 61.300 -0.268 0.000 1.343 986 I CB -0.568 37.255 38.000 -0.295 0.000 1.118 986 I HN -0.125 nan 8.210 nan 0.000 0.395 987 V N 1.326 121.236 119.914 -0.007 0.000 2.511 987 V HA -0.281 3.839 4.120 -0.000 0.000 0.257 987 V C 2.063 178.179 176.094 0.036 0.000 1.088 987 V CA 1.600 63.917 62.300 0.029 0.000 1.098 987 V CB -0.733 31.098 31.823 0.013 0.000 0.674 987 V HN 0.401 nan 8.190 nan 0.000 0.470 988 L N -0.297 120.943 121.223 0.029 0.000 2.592 988 L HA 0.218 4.558 4.340 -0.000 0.000 0.227 988 L C 2.055 178.955 176.870 0.050 0.000 1.127 988 L CA 0.743 55.600 54.840 0.029 0.000 0.884 988 L CB -0.150 41.917 42.059 0.014 0.000 1.065 988 L HN 0.444 nan 8.230 nan 0.000 0.457 989 G N -1.311 107.549 108.800 0.100 0.000 2.747 989 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.202 989 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.202 989 G C 1.357 176.311 174.900 0.089 0.000 1.090 989 G CA 0.130 45.305 45.100 0.125 0.000 0.779 989 G HN 0.044 nan 8.290 nan 0.000 0.535 990 V N 0.945 120.932 119.914 0.121 0.000 2.407 990 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 990 V C 2.667 178.758 176.094 -0.004 0.000 1.055 990 V CA 2.214 64.545 62.300 0.052 0.000 1.049 990 V CB -0.273 31.602 31.823 0.086 0.000 0.662 990 V HN 0.294 nan 8.190 nan 0.000 0.455 991 K N -0.250 120.156 120.400 0.010 0.000 1.984 991 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 991 K C 1.961 178.548 176.600 -0.023 0.000 1.046 991 K CA 1.559 57.839 56.287 -0.012 0.000 0.934 991 K CB -0.260 32.239 32.500 -0.002 0.000 0.717 991 K HN 0.367 nan 8.250 nan 0.000 0.438 992 D N 0.834 121.229 120.400 -0.009 0.000 2.354 992 D HA -0.147 4.492 4.640 -0.000 0.000 0.216 992 D C 1.662 177.940 176.300 -0.037 0.000 0.970 992 D CA 0.565 54.555 54.000 -0.016 0.000 0.905 992 D CB 0.197 40.997 40.800 -0.000 0.000 0.903 992 D HN 0.106 nan 8.370 nan 0.000 0.508 993 L N 0.960 122.153 121.223 -0.050 0.000 2.034 993 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 993 L C 2.184 178.989 176.870 -0.107 0.000 1.074 993 L CA 1.534 56.323 54.840 -0.085 0.000 0.748 993 L CB -0.723 41.273 42.059 -0.106 0.000 0.905 993 L HN -0.118 nan 8.230 nan 0.000 0.439 994 Q N -0.395 119.341 119.800 -0.107 0.000 2.217 994 Q HA -0.260 4.080 4.340 -0.000 0.000 0.209 994 Q C 1.927 177.860 176.000 -0.111 0.000 0.988 994 Q CA 1.687 57.418 55.803 -0.121 0.000 0.878 994 Q CB -0.313 28.365 28.738 -0.100 0.000 0.909 994 Q HN 0.525 nan 8.270 nan 0.000 0.424 995 E N 0.537 120.689 120.200 -0.081 0.000 2.153 995 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 995 E C 1.146 177.704 176.600 -0.070 0.000 0.988 995 E CA 0.789 57.151 56.400 -0.063 0.000 0.811 995 E CB -0.121 29.554 29.700 -0.043 0.000 0.746 995 E HN 0.369 nan 8.360 nan 0.000 0.466 996 N N 0.147 118.794 118.700 -0.088 0.000 2.270 996 N HA 0.054 4.794 4.740 -0.000 0.000 0.198 996 N C 0.226 175.658 175.510 -0.130 0.000 1.117 996 N CA 0.036 53.036 53.050 -0.083 0.000 0.845 996 N CB 0.554 39.002 38.487 -0.065 0.000 0.980 996 N HN 0.141 nan 8.380 nan 0.000 0.486 997 L N 1.863 122.945 121.223 -0.236 0.000 2.727 997 L HA 0.232 4.572 4.340 -0.000 0.000 0.237 997 L C -0.426 176.307 176.870 -0.228 0.000 1.370 997 L CA -0.290 54.237 54.840 -0.520 0.000 1.248 997 L CB -0.605 40.930 42.059 -0.873 0.000 1.556 997 L HN -0.150 nan 8.230 nan 0.000 0.420 998 L N -0.078 121.141 121.223 -0.006 0.000 2.367 998 L HA 0.123 4.463 4.340 -0.000 0.000 0.275 998 L C 1.041 178.029 176.870 0.197 0.000 1.129 998 L CA 0.223 55.114 54.840 0.084 0.000 0.839 998 L CB 1.008 43.092 42.059 0.042 0.000 1.133 998 L HN 0.019 nan 8.230 nan 0.000 0.453 999 V N 2.716 122.729 119.914 0.166 0.000 2.721 999 V HA 0.213 4.333 4.120 -0.000 0.000 0.236 999 V C 0.555 176.698 176.094 0.082 0.000 1.116 999 V CA 0.263 62.643 62.300 0.135 0.000 1.148 999 V CB 0.194 32.100 31.823 0.138 0.000 0.886 999 V HN 0.469 nan 8.190 nan 0.000 0.490 1000 L N 0.027 121.296 121.223 0.075 0.000 2.334 1000 L HA 0.468 4.807 4.340 -0.000 0.000 0.275 1000 L C 0.926 177.825 176.870 0.048 0.000 1.036 1000 L CA -0.140 54.738 54.840 0.064 0.000 0.807 1000 L CB 1.727 43.825 42.059 0.064 0.000 1.231 1000 L HN 0.071 nan 8.230 nan 0.000 0.438 1001 R N 0.829 121.354 120.500 0.042 0.000 2.404 1001 R HA 0.187 4.527 4.340 -0.000 0.000 0.237 1001 R C 0.764 177.077 176.300 0.021 0.000 0.907 1001 R CA -0.089 56.028 56.100 0.027 0.000 1.063 1001 R CB 0.717 31.029 30.300 0.021 0.000 1.134 1001 R HN 0.820 nan 8.270 nan 0.000 0.529 1002 G N 1.550 110.365 108.800 0.026 0.000 2.863 1002 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.225 1002 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.225 1002 G C 0.215 175.122 174.900 0.012 0.000 1.152 1002 G CA 0.207 45.319 45.100 0.020 0.000 0.857 1002 G HN 0.139 nan 8.290 nan 0.000 0.527 1003 K N 0.229 120.634 120.400 0.009 0.000 2.437 1003 K HA 0.159 4.479 4.320 -0.000 0.000 0.205 1003 K C 0.841 177.443 176.600 0.003 0.000 1.026 1003 K CA 0.147 56.437 56.287 0.005 0.000 1.153 1003 K CB -0.109 32.393 32.500 0.004 0.000 0.863 1003 K HN 0.767 nan 8.250 nan 0.000 0.502 1004 N N -2.293 116.409 118.700 0.004 0.000 3.369 1004 N HA 0.148 4.888 4.740 -0.000 0.000 0.362 1004 N C 0.642 176.151 175.510 -0.002 0.000 1.523 1004 N CA -0.605 52.446 53.050 0.001 0.000 0.684 1004 N CB 0.416 38.904 38.487 0.001 0.000 1.796 1004 N HN -0.128 nan 8.380 nan 0.000 0.641 1005 E N -0.185 120.012 120.200 -0.005 0.000 2.094 1005 E HA 0.288 4.637 4.350 -0.000 0.000 0.193 1005 E C 1.618 178.211 176.600 -0.012 0.000 0.950 1005 E CA 0.414 56.809 56.400 -0.008 0.000 0.842 1005 E CB -0.360 29.334 29.700 -0.009 0.000 0.816 1005 E HN 0.568 nan 8.360 nan 0.000 0.465 1006 I N 1.027 121.587 120.570 -0.017 0.000 2.290 1006 I HA -0.301 3.869 4.170 -0.000 0.000 0.253 1006 I C 1.746 177.847 176.117 -0.027 0.000 1.112 1006 I CA 0.868 62.151 61.300 -0.029 0.000 1.377 1006 I CB -0.123 37.856 38.000 -0.034 0.000 1.060 1006 I HN 0.330 nan 8.210 nan 0.000 0.428 1007 I N -0.403 120.160 120.570 -0.012 0.000 2.368 1007 I HA -0.171 3.999 4.170 -0.000 0.000 0.238 1007 I C 2.158 178.277 176.117 0.004 0.000 1.076 1007 I CA 1.010 62.310 61.300 0.000 0.000 1.397 1007 I CB -1.174 36.834 38.000 0.013 0.000 1.141 1007 I HN 0.244 nan 8.210 nan 0.000 0.430 1008 Q N 1.009 120.811 119.800 0.004 0.000 2.585 1008 Q HA -0.182 4.158 4.340 -0.000 0.000 0.219 1008 Q C 1.427 177.427 176.000 -0.001 0.000 0.984 1008 Q CA 0.720 56.525 55.803 0.003 0.000 0.915 1008 Q CB -0.437 28.302 28.738 0.001 0.000 0.967 1008 Q HN 0.475 nan 8.270 nan 0.000 0.530 1009 N N -0.636 118.061 118.700 -0.005 0.000 2.482 1009 N HA 0.043 4.783 4.740 -0.000 0.000 0.179 1009 N C 1.359 176.865 175.510 -0.007 0.000 1.039 1009 N CA 0.808 53.853 53.050 -0.009 0.000 0.884 1009 N CB 0.290 38.767 38.487 -0.016 0.000 1.113 1009 N HN 0.137 nan 8.380 nan 0.000 0.440 1010 A N 1.062 123.877 122.820 -0.008 0.000 2.019 1010 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 1010 A C 2.067 179.662 177.584 0.018 0.000 1.164 1010 A CA 1.467 53.504 52.037 -0.001 0.000 0.644 1010 A CB -0.554 18.446 19.000 0.000 0.000 0.805 1010 A HN 0.370 nan 8.150 nan 0.000 0.449 1011 Q N 0.575 120.387 119.800 0.020 0.000 1.900 1011 Q HA -0.240 4.100 4.340 -0.000 0.000 0.219 1011 Q C 2.054 178.068 176.000 0.023 0.000 1.012 1011 Q CA 2.537 58.357 55.803 0.029 0.000 0.876 1011 Q CB -0.554 28.196 28.738 0.020 0.000 0.952 1011 Q HN 0.630 nan 8.270 nan 0.000 0.419 1012 R N 0.366 120.870 120.500 0.006 0.000 2.178 1012 R HA -0.219 4.121 4.340 -0.000 0.000 0.257 1012 R C 1.931 178.230 176.300 -0.002 0.000 1.163 1012 R CA 1.603 57.699 56.100 -0.006 0.000 0.981 1012 R CB -0.706 29.585 30.300 -0.015 0.000 0.878 1012 R HN 0.542 nan 8.270 nan 0.000 0.454 1013 D N 0.722 121.127 120.400 0.009 0.000 2.081 1013 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 1013 D C 1.881 178.199 176.300 0.028 0.000 0.986 1013 D CA 1.574 55.583 54.000 0.016 0.000 0.837 1013 D CB -0.585 40.225 40.800 0.018 0.000 0.985 1013 D HN 0.248 nan 8.370 nan 0.000 0.448 1014 A N 0.686 123.531 122.820 0.042 0.000 2.204 1014 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 1014 A C 2.361 179.999 177.584 0.090 0.000 1.165 1014 A CA 1.302 53.374 52.037 0.058 0.000 0.671 1014 A CB -0.443 18.598 19.000 0.068 0.000 0.792 1014 A HN 0.192 nan 8.150 nan 0.000 0.473 1015 V N -1.517 118.449 119.914 0.087 0.000 2.581 1015 V HA -0.120 4.000 4.120 -0.000 0.000 0.240 1015 V C 2.377 178.529 176.094 0.096 0.000 1.054 1015 V CA 1.592 63.971 62.300 0.133 0.000 1.076 1015 V CB -1.337 30.537 31.823 0.085 0.000 0.748 1015 V HN 0.559 nan 8.190 nan 0.000 0.474 1016 T N 1.948 116.501 114.554 -0.003 0.000 2.481 1016 T HA -0.423 3.926 4.350 -0.000 0.000 0.229 1016 T C 1.809 176.438 174.700 -0.119 0.000 1.382 1016 T CA 2.630 64.661 62.100 -0.115 0.000 1.082 1016 T CB -0.959 67.799 68.868 -0.183 0.000 0.821 1016 T HN 0.298 nan 8.240 nan 0.000 0.457 1017 L N 0.522 121.719 121.223 -0.043 0.000 2.021 1017 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 1017 L C 2.109 179.030 176.870 0.084 0.000 1.074 1017 L CA 1.796 56.646 54.840 0.017 0.000 0.760 1017 L CB -1.278 40.836 42.059 0.092 0.000 0.889 1017 L HN 0.329 nan 8.230 nan 0.000 0.433 1018 F N 0.037 119.985 119.950 -0.003 0.000 2.046 1018 F HA -0.286 4.241 4.527 -0.000 0.000 0.297 1018 F C 2.636 178.424 175.800 -0.021 0.000 1.123 1018 F CA 1.831 59.846 58.000 0.025 0.000 1.199 1018 F CB -1.167 37.890 39.000 0.094 0.000 0.972 1018 F HN 0.248 nan 8.300 nan 0.000 0.474 1019 C N 0.245 119.419 119.300 -0.210 0.000 2.385 1019 C HA -0.309 4.151 4.460 -0.000 0.000 0.275 1019 C C 3.067 177.888 174.990 -0.280 0.000 1.207 1019 C CA 1.071 59.891 59.018 -0.329 0.000 1.760 1019 C CB -1.952 25.678 27.740 -0.183 0.000 2.051 1019 C HN 0.732 nan 8.230 nan 0.000 0.467 1020 C N 0.476 119.654 119.300 -0.202 0.000 2.376 1020 C HA -0.202 4.257 4.460 -0.000 0.000 0.275 1020 C C 2.545 177.459 174.990 -0.127 0.000 1.200 1020 C CA 1.553 60.480 59.018 -0.152 0.000 1.756 1020 C CB -1.764 25.897 27.740 -0.132 0.000 2.050 1020 C HN 0.696 nan 8.230 nan 0.000 0.460 1021 L N 0.603 121.738 121.223 -0.145 0.000 2.012 1021 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 1021 L C 2.320 179.068 176.870 -0.205 0.000 1.073 1021 L CA 1.776 56.543 54.840 -0.122 0.000 0.748 1021 L CB -0.982 41.023 42.059 -0.090 0.000 0.891 1021 L HN 0.270 nan 8.230 nan 0.000 0.431 1022 L N 0.190 121.155 121.223 -0.429 0.000 1.956 1022 L HA -0.257 4.083 4.340 -0.000 0.000 0.216 1022 L C 2.789 179.551 176.870 -0.181 0.000 1.073 1022 L CA 2.161 56.752 54.840 -0.414 0.000 0.762 1022 L CB -0.709 40.990 42.059 -0.600 0.000 0.889 1022 L HN 0.293 nan 8.230 nan 0.000 0.433 1023 R N -0.990 119.425 120.500 -0.142 0.000 2.170 1023 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 1023 R C 2.504 178.833 176.300 0.047 0.000 1.145 1023 R CA 1.321 57.396 56.100 -0.041 0.000 0.984 1023 R CB -0.752 29.522 30.300 -0.044 0.000 0.869 1023 R HN 0.568 nan 8.270 nan 0.000 0.455 1024 S N 0.634 116.364 115.700 0.050 0.000 2.348 1024 S HA -0.120 4.350 4.470 -0.000 0.000 0.221 1024 S C 1.830 176.552 174.600 0.204 0.000 1.033 1024 S CA 0.952 59.267 58.200 0.192 0.000 1.010 1024 S CB 0.075 63.343 63.200 0.113 0.000 0.891 1024 S HN 0.190 nan 8.310 nan 0.000 0.442 1025 R N 0.653 121.212 120.500 0.098 0.000 2.240 1025 R HA 0.276 4.616 4.340 -0.000 0.000 0.203 1025 R C 0.710 177.107 176.300 0.161 0.000 1.011 1025 R CA 0.349 56.527 56.100 0.129 0.000 1.007 1025 R CB -0.686 29.659 30.300 0.074 0.000 0.911 1025 R HN 0.463 nan 8.270 nan 0.000 0.468 1026 L N 1.153 122.435 121.223 0.097 0.000 3.096 1026 L HA 0.424 4.764 4.340 -0.000 0.000 0.247 1026 L C -0.055 176.887 176.870 0.121 0.000 1.321 1026 L CA -0.585 54.342 54.840 0.144 0.000 1.044 1026 L CB 0.723 42.834 42.059 0.087 0.000 1.434 1026 L HN -0.122 nan 8.230 nan 0.000 0.533 1027 A N -0.412 122.438 122.820 0.051 0.000 2.301 1027 A HA 0.462 4.782 4.320 -0.000 0.000 0.298 1027 A C 1.345 178.899 177.584 -0.050 0.000 1.185 1027 A CA -0.201 51.835 52.037 -0.001 0.000 0.830 1027 A CB 0.643 19.596 19.000 -0.080 0.000 1.112 1027 A HN 0.389 nan 8.150 nan 0.000 0.508 1028 T N 2.135 116.674 114.554 -0.024 0.000 2.481 1028 T HA -0.278 4.072 4.350 -0.000 0.000 0.252 1028 T C 2.171 176.807 174.700 -0.106 0.000 1.242 1028 T CA 2.020 64.087 62.100 -0.055 0.000 1.170 1028 T CB -0.345 68.499 68.868 -0.040 0.000 0.860 1028 T HN 0.686 nan 8.240 nan 0.000 0.422 1029 R N 0.672 121.092 120.500 -0.133 0.000 2.136 1029 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 1029 R C 2.648 178.799 176.300 -0.249 0.000 1.131 1029 R CA 1.965 57.958 56.100 -0.179 0.000 0.937 1029 R CB -0.733 29.447 30.300 -0.201 0.000 0.863 1029 R HN 0.419 nan 8.270 nan 0.000 0.435 1030 R N -0.277 120.009 120.500 -0.357 0.000 2.122 1030 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 1030 R C 2.280 178.298 176.300 -0.469 0.000 1.129 1030 R CA 2.205 58.007 56.100 -0.495 0.000 0.925 1030 R CB -0.618 29.370 30.300 -0.520 0.000 0.850 1030 R HN 0.094 nan 8.270 nan 0.000 0.431 1031 V N 0.858 120.667 119.914 -0.176 0.000 2.613 1031 V HA -0.263 3.857 4.120 -0.000 0.000 0.259 1031 V C 1.859 177.970 176.094 0.027 0.000 1.099 1031 V CA 1.753 64.110 62.300 0.095 0.000 1.115 1031 V CB -0.448 31.476 31.823 0.168 0.000 0.686 1031 V HN 0.319 nan 8.190 nan 0.000 0.481 1032 L N -1.941 119.228 121.223 -0.089 0.000 2.577 1032 L HA 0.168 4.508 4.340 -0.000 0.000 0.225 1032 L C 2.215 179.038 176.870 -0.077 0.000 1.053 1032 L CA 0.705 55.506 54.840 -0.065 0.000 0.866 1032 L CB -0.190 41.823 42.059 -0.077 0.000 1.132 1032 L HN 0.148 nan 8.230 nan 0.000 0.486 1033 Q N 0.037 119.754 119.800 -0.140 0.000 2.297 1033 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 1033 Q C 1.685 177.595 176.000 -0.149 0.000 0.931 1033 Q CA 0.759 56.486 55.803 -0.128 0.000 0.885 1033 Q CB 0.565 29.217 28.738 -0.145 0.000 0.991 1033 Q HN 0.469 nan 8.270 nan 0.000 0.498 1034 E N -0.599 119.436 120.200 -0.275 0.000 2.065 1034 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 1034 E C -0.489 176.032 176.600 -0.131 0.000 0.960 1034 E CA 0.382 56.601 56.400 -0.302 0.000 0.824 1034 E CB 0.330 29.696 29.700 -0.556 0.000 0.793 1034 E HN 0.298 nan 8.360 nan 0.000 0.459 1035 Y N 0.269 120.589 120.300 0.032 0.000 2.854 1035 Y HA 0.417 4.967 4.550 -0.000 0.000 0.330 1035 Y C -0.286 175.649 175.900 0.058 0.000 1.037 1035 Y CA -1.074 57.070 58.100 0.074 0.000 1.263 1035 Y CB 0.280 38.772 38.460 0.054 0.000 1.120 1035 Y HN -0.290 nan 8.280 nan 0.000 0.532 1036 R N 3.471 124.089 120.500 0.196 0.000 4.134 1036 R HA 0.003 4.342 4.340 -0.000 0.000 0.157 1036 R C -0.265 176.074 176.300 0.066 0.000 1.876 1036 R CA 0.246 56.405 56.100 0.098 0.000 1.334 1036 R CB -0.850 29.493 30.300 0.071 0.000 1.277 1036 R HN 0.755 nan 8.270 nan 0.000 0.721 1037 L N 0.922 122.211 121.223 0.109 0.000 2.426 1037 L HA 0.065 4.404 4.340 -0.000 0.000 0.271 1037 L C 1.647 178.517 176.870 0.001 0.000 1.169 1037 L CA 0.130 55.009 54.840 0.065 0.000 0.836 1037 L CB 0.473 42.635 42.059 0.172 0.000 1.112 1037 L HN 0.334 nan 8.230 nan 0.000 0.465 1038 T N -0.732 113.791 114.554 -0.052 0.000 2.891 1038 T HA 0.157 4.507 4.350 -0.000 0.000 0.294 1038 T C 0.920 175.590 174.700 -0.049 0.000 1.065 1038 T CA -0.496 61.566 62.100 -0.063 0.000 0.936 1038 T CB 1.163 69.983 68.868 -0.079 0.000 1.415 1038 T HN 0.648 nan 8.240 nan 0.000 0.572 1039 K N -0.235 120.137 120.400 -0.046 0.000 2.116 1039 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 1039 K C 2.469 179.085 176.600 0.026 0.000 1.052 1039 K CA 1.134 57.417 56.287 -0.006 0.000 0.952 1039 K CB -0.334 32.158 32.500 -0.013 0.000 0.729 1039 K HN 0.680 nan 8.250 nan 0.000 0.446 1040 Q N 0.244 120.010 119.800 -0.056 0.000 1.948 1040 Q HA -0.204 4.136 4.340 -0.000 0.000 0.205 1040 Q C 2.021 177.843 176.000 -0.298 0.000 0.992 1040 Q CA 2.259 57.989 55.803 -0.122 0.000 0.849 1040 Q CB -0.453 28.204 28.738 -0.135 0.000 0.918 1040 Q HN 0.432 nan 8.270 nan 0.000 0.421 1041 A N 0.385 122.838 122.820 -0.611 0.000 1.881 1041 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 1041 A C 1.939 179.478 177.584 -0.076 0.000 1.215 1041 A CA 1.984 53.639 52.037 -0.637 0.000 0.648 1041 A CB -1.434 17.314 19.000 -0.420 0.000 0.832 1041 A HN 0.622 nan 8.150 nan 0.000 0.455 1042 F N 1.019 120.894 119.950 -0.125 0.000 2.025 1042 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 1042 F C 2.091 177.894 175.800 0.006 0.000 1.132 1042 F CA 2.494 60.471 58.000 -0.039 0.000 1.191 1042 F CB -0.396 38.582 39.000 -0.038 0.000 0.963 1042 F HN 0.309 nan 8.300 nan 0.000 0.481 1043 D N -1.221 119.311 120.400 0.220 0.000 2.271 1043 D HA -0.254 4.386 4.640 -0.000 0.000 0.207 1043 D C 1.723 178.078 176.300 0.091 0.000 0.983 1043 D CA 1.369 55.444 54.000 0.125 0.000 0.878 1043 D CB -0.452 40.436 40.800 0.148 0.000 0.920 1043 D HN 0.511 nan 8.370 nan 0.000 0.479 1044 W N 1.020 122.261 121.300 -0.098 0.000 2.560 1044 W HA -0.092 4.568 4.660 -0.000 0.000 0.303 1044 W C 2.225 178.677 176.519 -0.112 0.000 1.151 1044 W CA 0.439 57.748 57.345 -0.060 0.000 1.426 1044 W CB -0.584 28.864 29.460 -0.020 0.000 1.135 1044 W HN -0.312 nan 8.180 nan 0.000 0.522 1045 V N 1.983 121.909 119.914 0.020 0.000 2.363 1045 V HA -0.385 3.735 4.120 -0.000 0.000 0.254 1045 V C 2.312 178.194 176.094 -0.353 0.000 1.074 1045 V CA 2.084 64.248 62.300 -0.228 0.000 1.069 1045 V CB -1.157 30.543 31.823 -0.205 0.000 0.659 1045 V HN 0.273 nan 8.190 nan 0.000 0.455 1046 L N -0.429 120.578 121.223 -0.361 0.000 2.005 1046 L HA -0.143 4.196 4.340 -0.000 0.000 0.207 1046 L C 2.738 179.467 176.870 -0.236 0.000 1.072 1046 L CA 1.954 56.600 54.840 -0.323 0.000 0.744 1046 L CB -0.965 40.904 42.059 -0.318 0.000 0.895 1046 L HN 0.467 nan 8.230 nan 0.000 0.433 1047 S N 0.413 115.986 115.700 -0.212 0.000 2.369 1047 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 1047 S C 1.834 176.291 174.600 -0.238 0.000 1.043 1047 S CA 1.905 59.995 58.200 -0.184 0.000 1.074 1047 S CB -0.350 62.759 63.200 -0.152 0.000 0.962 1047 S HN 0.405 nan 8.310 nan 0.000 0.433 1048 N N 1.145 119.605 118.700 -0.400 0.000 2.021 1048 N HA -0.142 4.598 4.740 -0.000 0.000 0.198 1048 N C 1.934 177.311 175.510 -0.222 0.000 1.041 1048 N CA 2.055 54.868 53.050 -0.395 0.000 0.862 1048 N CB -0.618 37.477 38.487 -0.653 0.000 1.048 1048 N HN 0.489 nan 8.380 nan 0.000 0.427 1049 I N 1.386 121.837 120.570 -0.198 0.000 2.087 1049 I HA -0.334 3.836 4.170 -0.000 0.000 0.240 1049 I C 2.642 178.753 176.117 -0.010 0.000 1.054 1049 I CA 1.580 62.839 61.300 -0.068 0.000 1.311 1049 I CB -0.617 37.349 38.000 -0.058 0.000 1.024 1049 I HN 0.341 nan 8.210 nan 0.000 0.402 1050 E N 1.530 121.693 120.200 -0.062 0.000 2.049 1050 E HA -0.284 4.066 4.350 -0.000 0.000 0.198 1050 E C 2.159 178.770 176.600 0.020 0.000 1.007 1050 E CA 1.997 58.373 56.400 -0.041 0.000 0.809 1050 E CB -0.175 29.481 29.700 -0.074 0.000 0.749 1050 E HN 0.475 nan 8.360 nan 0.000 0.450 1051 A N 0.295 123.097 122.820 -0.029 0.000 1.929 1051 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 1051 A C 2.154 179.720 177.584 -0.029 0.000 1.176 1051 A CA 1.432 53.452 52.037 -0.027 0.000 0.628 1051 A CB -0.496 18.469 19.000 -0.057 0.000 0.816 1051 A HN 0.415 nan 8.150 nan 0.000 0.444 1052 Q N -2.071 117.706 119.800 -0.039 0.000 2.364 1052 Q HA -0.097 4.243 4.340 -0.000 0.000 0.207 1052 Q C 1.589 177.561 176.000 -0.048 0.000 0.970 1052 Q CA 1.257 57.029 55.803 -0.052 0.000 0.888 1052 Q CB -0.161 28.543 28.738 -0.057 0.000 0.951 1052 Q HN 0.797 nan 8.270 nan 0.000 0.469 1053 F N -0.128 119.726 119.950 -0.160 0.000 2.123 1053 F HA -0.029 4.498 4.527 -0.000 0.000 0.289 1053 F C 1.440 177.116 175.800 -0.206 0.000 1.099 1053 F CA 0.694 58.566 58.000 -0.214 0.000 1.234 1053 F CB -0.008 38.871 39.000 -0.202 0.000 1.034 1053 F HN -0.073 nan 8.300 nan 0.000 0.479 1054 L N 0.725 122.041 121.223 0.155 0.000 2.556 1054 L HA -0.183 4.157 4.340 -0.000 0.000 0.230 1054 L C 2.128 178.889 176.870 -0.182 0.000 1.163 1054 L CA 0.852 55.700 54.840 0.014 0.000 0.819 1054 L CB -0.548 41.541 42.059 0.050 0.000 0.939 1054 L HN 0.231 nan 8.230 nan 0.000 0.452 1055 R N -1.594 118.753 120.500 -0.255 0.000 2.175 1055 R HA 0.077 4.417 4.340 -0.000 0.000 0.202 1055 R C 2.200 178.106 176.300 -0.656 0.000 1.018 1055 R CA 0.632 56.520 56.100 -0.353 0.000 1.029 1055 R CB 0.027 30.164 30.300 -0.272 0.000 0.959 1055 R HN 0.180 nan 8.270 nan 0.000 0.480 1056 S N 1.010 116.311 115.700 -0.664 0.000 2.515 1056 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 1056 S C 1.134 175.452 174.600 -0.470 0.000 0.987 1056 S CA 0.120 57.921 58.200 -0.664 0.000 0.936 1056 S CB -0.052 62.868 63.200 -0.467 0.000 0.766 1056 S HN -0.023 nan 8.310 nan 0.000 0.528 1057 V N 1.681 121.298 119.914 -0.495 0.000 3.803 1057 V HA 0.021 4.141 4.120 -0.000 0.000 0.300 1057 V C 0.619 176.608 176.094 -0.176 0.000 1.111 1057 V CA -0.079 62.018 62.300 -0.338 0.000 1.189 1057 V CB 0.160 31.812 31.823 -0.285 0.000 1.118 1057 V HN 0.097 nan 8.190 nan 0.000 0.486 1058 V N 0.492 120.365 119.914 -0.068 0.000 2.483 1058 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 1058 V C 0.000 176.093 176.094 -0.002 0.000 1.035 1058 V CA -0.671 61.654 62.300 0.042 0.000 0.896 1058 V CB 1.263 33.182 31.823 0.160 0.000 0.986 1058 V HN 0.768 nan 8.190 nan 0.000 0.447 1059 H N 4.640 123.709 119.070 -0.002 0.000 2.878 1059 H HA 0.174 4.730 4.556 -0.000 0.000 0.290 1059 H C -2.294 173.003 175.328 -0.052 0.000 1.065 1059 H CA -1.525 54.520 56.048 -0.005 0.000 1.477 1059 H CB 1.238 31.002 29.762 0.002 0.000 1.484 1059 H HN 0.383 nan 8.280 nan 0.000 0.504 1060 P HA 0.028 nan 4.420 nan 0.000 0.263 1060 P C 0.789 177.935 177.300 -0.258 0.000 1.247 1060 P CA 0.709 63.712 63.100 -0.161 0.000 0.876 1060 P CB 0.494 32.068 31.700 -0.210 0.000 0.928 1061 G N 2.451 111.120 108.800 -0.218 0.000 3.859 1061 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.198 1061 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.198 1061 G C -0.123 174.674 174.900 -0.173 0.000 0.972 1061 G CA -0.417 44.576 45.100 -0.179 0.000 0.882 1061 G HN 0.371 nan 8.290 nan 0.000 0.364 1062 E N 1.820 121.933 120.200 -0.144 0.000 2.765 1062 E HA 0.026 4.376 4.350 -0.000 0.000 0.256 1062 E C 0.279 176.752 176.600 -0.211 0.000 0.935 1062 E CA 0.530 56.831 56.400 -0.165 0.000 0.954 1062 E CB 0.328 29.921 29.700 -0.178 0.000 0.908 1062 E HN 0.188 nan 8.360 nan 0.000 0.500 1063 M N 4.220 123.713 119.600 -0.178 0.000 3.690 1063 M HA 0.018 4.498 4.480 -0.000 0.000 0.209 1063 M C 1.134 177.332 176.300 -0.171 0.000 1.403 1063 M CA -0.201 54.996 55.300 -0.173 0.000 1.621 1063 M CB -0.511 32.006 32.600 -0.138 0.000 1.056 1063 M HN 0.247 nan 8.290 nan 0.000 0.593 1064 V N 0.654 120.430 119.914 -0.230 0.000 2.439 1064 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 1064 V C 2.364 178.393 176.094 -0.109 0.000 1.074 1064 V CA 2.395 64.556 62.300 -0.232 0.000 1.076 1064 V CB -1.403 30.149 31.823 -0.451 0.000 0.664 1064 V HN 0.772 nan 8.190 nan 0.000 0.461 1065 G N 0.010 108.746 108.800 -0.106 0.000 2.545 1065 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 1065 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 1065 G C 1.648 176.490 174.900 -0.097 0.000 1.218 1065 G CA 1.356 46.406 45.100 -0.084 0.000 0.787 1065 G HN 0.376 nan 8.290 nan 0.000 0.571 1066 V N 1.057 120.904 119.914 -0.111 0.000 2.252 1066 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 1066 V C 2.693 178.714 176.094 -0.121 0.000 1.056 1066 V CA 1.702 63.932 62.300 -0.116 0.000 1.022 1066 V CB -0.715 31.044 31.823 -0.107 0.000 0.641 1066 V HN 0.330 nan 8.190 nan 0.000 0.445 1067 L N 0.837 121.990 121.223 -0.117 0.000 1.957 1067 L HA -0.284 4.056 4.340 -0.000 0.000 0.228 1067 L C 2.601 179.343 176.870 -0.213 0.000 1.086 1067 L CA 2.947 57.702 54.840 -0.142 0.000 0.796 1067 L CB -1.773 40.224 42.059 -0.104 0.000 0.900 1067 L HN 0.339 nan 8.230 nan 0.000 0.439 1068 A N -0.568 122.167 122.820 -0.141 0.000 1.909 1068 A HA -0.315 4.005 4.320 -0.000 0.000 0.221 1068 A C 2.442 179.940 177.584 -0.144 0.000 1.223 1068 A CA 3.452 55.421 52.037 -0.112 0.000 0.658 1068 A CB -1.405 17.659 19.000 0.106 0.000 0.831 1068 A HN 0.760 nan 8.150 nan 0.000 0.462 1069 A N -0.997 121.749 122.820 -0.123 0.000 1.852 1069 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 1069 A C 2.119 179.612 177.584 -0.151 0.000 1.215 1069 A CA 2.128 54.083 52.037 -0.135 0.000 0.641 1069 A CB -0.989 17.920 19.000 -0.152 0.000 0.838 1069 A HN 0.698 nan 8.150 nan 0.000 0.450 1070 Q N -0.423 119.281 119.800 -0.160 0.000 2.029 1070 Q HA -0.202 4.138 4.340 -0.000 0.000 0.209 1070 Q C 2.410 178.299 176.000 -0.185 0.000 0.999 1070 Q CA 2.001 57.705 55.803 -0.165 0.000 0.857 1070 Q CB -0.492 28.163 28.738 -0.138 0.000 0.926 1070 Q HN 0.662 nan 8.270 nan 0.000 0.415 1071 S N 0.592 116.155 115.700 -0.228 0.000 2.421 1071 S HA -0.202 4.268 4.470 -0.000 0.000 0.239 1071 S C 1.858 176.370 174.600 -0.147 0.000 1.054 1071 S CA 1.348 59.403 58.200 -0.242 0.000 1.035 1071 S CB -0.275 62.588 63.200 -0.561 0.000 0.840 1071 S HN 0.298 nan 8.310 nan 0.000 0.475 1072 I N 0.297 120.790 120.570 -0.128 0.000 2.499 1072 I HA 0.062 4.232 4.170 -0.000 0.000 0.243 1072 I C 2.792 178.847 176.117 -0.103 0.000 1.085 1072 I CA 0.794 62.042 61.300 -0.087 0.000 1.422 1072 I CB -1.044 36.917 38.000 -0.065 0.000 1.165 1072 I HN 0.352 nan 8.210 nan 0.000 0.440 1073 G N 0.741 109.470 108.800 -0.118 0.000 2.442 1073 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 1073 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 1073 G C 1.518 176.337 174.900 -0.134 0.000 1.141 1073 G CA 0.644 45.673 45.100 -0.118 0.000 0.763 1073 G HN 0.278 nan 8.290 nan 0.000 0.554 1074 E N 1.084 121.177 120.200 -0.179 0.000 2.007 1074 E HA -0.128 4.222 4.350 -0.000 0.000 0.203 1074 E C 0.112 176.609 176.600 -0.172 0.000 1.020 1074 E CA 1.682 57.934 56.400 -0.246 0.000 0.845 1074 E CB -1.029 28.429 29.700 -0.404 0.000 0.779 1074 E HN 0.354 nan 8.360 nan 0.000 0.466 1075 P HA -0.080 nan 4.420 nan 0.000 0.229 1075 P C 0.448 177.703 177.300 -0.074 0.000 1.150 1075 P CA 1.256 64.306 63.100 -0.085 0.000 0.765 1075 P CB -0.108 31.555 31.700 -0.062 0.000 0.783 1076 A N -0.838 121.933 122.820 -0.082 0.000 2.251 1076 A HA 0.105 4.425 4.320 -0.000 0.000 0.209 1076 A C 1.874 179.423 177.584 -0.058 0.000 1.187 1076 A CA 0.895 52.892 52.037 -0.066 0.000 0.823 1076 A CB -0.799 18.161 19.000 -0.067 0.000 0.846 1076 A HN 0.145 nan 8.150 nan 0.000 0.486 1077 T N -0.824 113.690 114.554 -0.068 0.000 3.000 1077 T HA 0.006 4.356 4.350 -0.000 0.000 0.248 1077 T C 1.602 176.274 174.700 -0.048 0.000 1.034 1077 T CA 0.371 62.437 62.100 -0.057 0.000 1.060 1077 T CB 0.050 68.876 68.868 -0.070 0.000 0.983 1077 T HN 0.381 nan 8.240 nan 0.000 0.482 1078 Q N 0.817 120.586 119.800 -0.051 0.000 2.482 1078 Q HA 0.231 4.571 4.340 -0.000 0.000 0.209 1078 Q C 0.433 176.414 176.000 -0.033 0.000 0.961 1078 Q CA 0.264 56.044 55.803 -0.038 0.000 0.945 1078 Q CB -0.320 28.397 28.738 -0.035 0.000 1.012 1078 Q HN 0.537 nan 8.270 nan 0.000 0.515 1079 M N 1.707 121.285 119.600 -0.036 0.000 2.538 1079 M HA 0.052 4.532 4.480 -0.000 0.000 0.327 1079 M C -0.375 175.908 176.300 -0.027 0.000 1.545 1079 M CA 0.556 55.837 55.300 -0.032 0.000 1.380 1079 M CB 0.064 32.643 32.600 -0.035 0.000 1.657 1079 M HN -0.239 nan 8.290 nan 0.000 0.459 1080 T N 5.517 120.057 114.554 -0.024 0.000 2.929 1080 T HA 0.605 4.955 4.350 -0.000 0.000 0.331 1080 T C -0.030 174.658 174.700 -0.020 0.000 1.120 1080 T CA -0.290 61.796 62.100 -0.022 0.000 0.973 1080 T CB 0.445 69.300 68.868 -0.021 0.000 1.036 1080 T HN 0.501 nan 8.240 nan 0.000 0.502 1093 K N 2.102 122.509 120.400 0.011 0.000 2.679 1093 K HA 0.398 4.718 4.320 -0.000 0.000 0.188 1093 K C -1.071 175.534 176.600 0.009 0.000 1.055 1093 K CA -0.288 56.002 56.287 0.005 0.000 1.006 1093 K CB 1.838 34.339 32.500 0.001 0.000 1.317 1093 K HN -0.173 nan 8.250 nan 0.000 0.584 1094 V N 0.144 120.064 119.914 0.009 0.000 3.188 1094 V HA 0.258 4.378 4.120 -0.000 0.000 0.305 1094 V C -0.107 175.991 176.094 0.007 0.000 1.232 1094 V CA -1.119 61.188 62.300 0.012 0.000 1.043 1094 V CB 2.407 34.242 31.823 0.020 0.000 1.068 1094 V HN 0.513 nan 8.190 nan 0.000 0.439 1095 T N 3.011 117.569 114.554 0.008 0.000 2.792 1095 T HA 0.347 4.697 4.350 -0.000 0.000 0.286 1095 T C 0.063 174.763 174.700 -0.000 0.000 0.970 1095 T CA 0.241 62.345 62.100 0.006 0.000 1.187 1095 T CB -0.148 68.727 68.868 0.012 0.000 0.915 1095 T HN 0.953 nan 8.240 nan 0.000 0.529 1096 S N 1.932 117.628 115.700 -0.006 0.000 2.619 1096 S HA 0.849 5.318 4.470 -0.000 0.000 0.280 1096 S C 0.113 174.701 174.600 -0.020 0.000 1.150 1096 S CA -0.227 57.964 58.200 -0.015 0.000 0.978 1096 S CB 2.025 65.216 63.200 -0.015 0.000 1.041 1096 S HN 1.409 nan 8.310 nan 0.000 0.485 1097 G N 1.530 110.313 108.800 -0.029 0.000 2.384 1097 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.200 1097 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.200 1097 G C 0.336 175.221 174.900 -0.025 0.000 1.205 1097 G CA -0.210 44.872 45.100 -0.031 0.000 1.116 1097 G HN 1.404 nan 8.290 nan 0.000 0.547 1098 V N 3.281 123.183 119.914 -0.020 0.000 2.252 1098 V HA -0.119 4.001 4.120 -0.000 0.000 0.249 1098 V C 0.835 176.930 176.094 0.002 0.000 1.056 1098 V CA 3.344 65.637 62.300 -0.012 0.000 1.022 1098 V CB -1.454 30.363 31.823 -0.010 0.000 0.641 1098 V HN 0.746 nan 8.190 nan 0.000 0.445 1099 P HA -0.214 nan 4.420 nan 0.000 0.218 1099 P C 1.510 178.822 177.300 0.021 0.000 1.148 1099 P CA 1.608 64.718 63.100 0.016 0.000 0.822 1099 P CB -0.029 31.677 31.700 0.010 0.000 0.784 1100 R N 0.711 121.217 120.500 0.009 0.000 2.061 1100 R HA -0.086 4.253 4.340 -0.000 0.000 0.230 1100 R C 2.326 178.631 176.300 0.009 0.000 1.140 1100 R CA 1.176 57.280 56.100 0.007 0.000 0.940 1100 R CB -1.950 28.343 30.300 -0.011 0.000 0.839 1100 R HN 0.078 nan 8.270 nan 0.000 0.429 1101 L N 1.433 122.652 121.223 -0.006 0.000 2.129 1101 L HA -0.154 4.185 4.340 -0.000 0.000 0.212 1101 L C 2.103 178.987 176.870 0.023 0.000 1.087 1101 L CA 2.085 56.920 54.840 -0.009 0.000 0.757 1101 L CB -0.751 41.294 42.059 -0.024 0.000 0.896 1101 L HN 0.362 nan 8.230 nan 0.000 0.434 1102 K N -0.447 119.976 120.400 0.038 0.000 2.002 1102 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 1102 K C 2.096 178.748 176.600 0.087 0.000 1.048 1102 K CA 1.779 58.108 56.287 0.069 0.000 0.930 1102 K CB -0.213 32.332 32.500 0.075 0.000 0.714 1102 K HN 0.478 nan 8.250 nan 0.000 0.438 1103 E N 0.646 120.894 120.200 0.080 0.000 2.048 1103 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 1103 E C 2.032 178.722 176.600 0.150 0.000 1.021 1103 E CA 2.226 58.687 56.400 0.103 0.000 0.825 1103 E CB -0.161 29.591 29.700 0.086 0.000 0.756 1103 E HN 0.318 nan 8.360 nan 0.000 0.454 1104 I N 0.598 121.249 120.570 0.136 0.000 2.068 1104 I HA -0.368 3.802 4.170 -0.000 0.000 0.238 1104 I C 2.501 178.760 176.117 0.236 0.000 1.046 1104 I CA 1.345 62.766 61.300 0.202 0.000 1.306 1104 I CB -0.498 37.516 38.000 0.024 0.000 1.023 1104 I HN 0.226 nan 8.210 nan 0.000 0.399 1105 L N 0.539 121.845 121.223 0.138 0.000 2.127 1105 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 1105 L C 2.061 179.022 176.870 0.150 0.000 1.089 1105 L CA 1.207 56.123 54.840 0.127 0.000 0.757 1105 L CB -0.732 41.369 42.059 0.071 0.000 0.899 1105 L HN 0.386 nan 8.230 nan 0.000 0.434 1106 N N -0.389 118.402 118.700 0.151 0.000 2.494 1106 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 1106 N C 0.568 176.154 175.510 0.127 0.000 1.076 1106 N CA 0.385 53.523 53.050 0.148 0.000 0.908 1106 N CB 0.420 38.992 38.487 0.140 0.000 0.967 1106 N HN 0.014 nan 8.380 nan 0.000 0.449 1107 V N 0.578 120.577 119.914 0.143 0.000 6.078 1107 V HA -0.269 3.851 4.120 -0.000 0.000 0.301 1107 V C 0.434 176.541 176.094 0.020 0.000 0.571 1107 V CA 0.447 62.777 62.300 0.050 0.000 0.625 1107 V CB -2.437 29.387 31.823 0.002 0.000 0.271 1107 V HN 0.413 nan 8.190 nan 0.000 0.788 1108 A N 1.267 124.131 122.820 0.075 0.000 2.354 1108 A HA 0.663 4.983 4.320 -0.000 0.000 0.269 1108 A C 0.967 178.564 177.584 0.022 0.000 1.109 1108 A CA 0.362 52.431 52.037 0.053 0.000 0.800 1108 A CB 0.980 20.027 19.000 0.079 0.000 1.045 1108 A HN 0.602 nan 8.150 nan 0.000 0.489 1109 K N 1.633 122.033 120.400 -0.000 0.000 2.137 1109 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 1109 K C 0.187 176.791 176.600 0.006 0.000 1.052 1109 K CA 1.526 57.804 56.287 -0.015 0.000 0.961 1109 K CB 0.098 32.582 32.500 -0.026 0.000 0.741 1109 K HN 0.771 nan 8.250 nan 0.000 0.452 1110 N N 3.053 121.762 118.700 0.015 0.000 3.234 1110 N HA 0.096 4.836 4.740 -0.000 0.000 0.272 1110 N C -0.452 175.077 175.510 0.031 0.000 1.254 1110 N CA -0.134 52.927 53.050 0.018 0.000 1.087 1110 N CB 0.209 38.703 38.487 0.011 0.000 1.356 1110 N HN 0.215 nan 8.380 nan 0.000 0.511 1111 M N -0.719 118.907 119.600 0.043 0.000 2.228 1111 M HA 0.211 4.691 4.480 -0.000 0.000 0.351 1111 M C 1.002 177.322 176.300 0.034 0.000 1.233 1111 M CA -0.206 55.125 55.300 0.052 0.000 1.129 1111 M CB 1.209 33.855 32.600 0.077 0.000 1.604 1111 M HN 0.032 nan 8.290 nan 0.000 0.457 1112 K N 1.023 121.441 120.400 0.029 0.000 2.020 1112 K HA -0.074 4.246 4.320 -0.000 0.000 0.212 1112 K C 0.282 176.892 176.600 0.017 0.000 1.050 1112 K CA 1.540 57.839 56.287 0.019 0.000 0.929 1112 K CB -0.211 32.299 32.500 0.016 0.000 0.714 1112 K HN 0.739 nan 8.250 nan 0.000 0.443 1113 T N 1.789 116.355 114.554 0.020 0.000 2.758 1113 T HA 0.163 4.513 4.350 -0.000 0.000 0.285 1113 T C -2.007 172.705 174.700 0.021 0.000 0.981 1113 T CA -1.396 60.715 62.100 0.017 0.000 0.965 1113 T CB 2.041 70.919 68.868 0.017 0.000 0.927 1113 T HN 0.095 nan 8.240 nan 0.000 0.448 1114 P HA 0.146 nan 4.420 nan 0.000 0.242 1114 P C 0.773 178.074 177.300 0.002 0.000 1.176 1114 P CA 0.094 63.201 63.100 0.012 0.000 0.859 1114 P CB 0.383 32.087 31.700 0.007 0.000 1.010 1115 S N 0.282 115.985 115.700 0.005 0.000 2.509 1115 S HA -0.084 4.386 4.470 -0.000 0.000 0.588 1115 S C -0.182 174.410 174.600 -0.012 0.000 3.389 1115 S CA 1.311 59.514 58.200 0.005 0.000 3.588 1115 S CB -0.759 62.454 63.200 0.022 0.000 0.347 1115 S HN 0.507 nan 8.310 nan 0.000 1.726 1116 L N -1.151 120.069 121.223 -0.004 0.000 4.768 1116 L HA 0.475 4.815 4.340 -0.000 0.000 0.254 1116 L C -0.753 176.121 176.870 0.008 0.000 1.073 1116 L CA -0.084 54.744 54.840 -0.020 0.000 1.079 1116 L CB 0.474 42.515 42.059 -0.029 0.000 1.842 1116 L HN 0.523 nan 8.230 nan 0.000 0.495 1117 T N 3.917 118.493 114.554 0.037 0.000 2.767 1117 T HA 0.752 5.102 4.350 -0.000 0.000 0.284 1117 T C -0.109 174.555 174.700 -0.060 0.000 0.973 1117 T CA -0.030 62.056 62.100 -0.023 0.000 0.996 1117 T CB 1.384 70.255 68.868 0.005 0.000 0.927 1117 T HN 1.155 nan 8.240 nan 0.000 0.456 1118 V N 1.706 121.545 119.914 -0.126 0.000 2.448 1118 V HA 0.683 4.803 4.120 -0.000 0.000 0.295 1118 V C -1.322 174.706 176.094 -0.111 0.000 1.025 1118 V CA -1.205 61.077 62.300 -0.030 0.000 0.859 1118 V CB 0.501 32.338 31.823 0.024 0.000 0.988 1118 V HN 0.720 nan 8.190 nan 0.000 0.431 1119 Y N 3.487 123.842 120.300 0.092 0.000 2.376 1119 Y HA 0.713 5.263 4.550 -0.000 0.000 0.325 1119 Y C 0.572 176.520 175.900 0.079 0.000 1.199 1119 Y CA -0.908 57.243 58.100 0.086 0.000 1.206 1119 Y CB 1.060 39.577 38.460 0.095 0.000 1.229 1119 Y HN 0.533 nan 8.280 nan 0.000 0.480 1120 L N 0.595 121.962 121.223 0.239 0.000 2.347 1120 L HA 0.040 4.380 4.340 -0.000 0.000 0.172 1120 L C 0.474 177.449 176.870 0.175 0.000 1.009 1120 L CA 0.203 55.151 54.840 0.179 0.000 0.974 1120 L CB -0.133 42.036 42.059 0.182 0.000 1.427 1120 L HN 0.633 nan 8.230 nan 0.000 0.507 1121 E N -0.908 119.401 120.200 0.181 0.000 2.214 1121 E HA 0.233 4.583 4.350 -0.000 0.000 0.274 1121 E C -1.837 174.823 176.600 0.101 0.000 0.977 1121 E CA -1.693 54.804 56.400 0.162 0.000 0.827 1121 E CB 1.412 31.257 29.700 0.242 0.000 1.130 1121 E HN 0.213 nan 8.360 nan 0.000 0.394 1122 P HA -0.325 nan 4.420 nan 0.000 0.227 1122 P C 0.966 178.222 177.300 -0.074 0.000 0.791 1122 P CA 2.311 65.396 63.100 -0.025 0.000 1.075 1122 P CB -0.074 31.599 31.700 -0.044 0.000 0.728 1123 G N -1.281 107.398 108.800 -0.201 0.000 2.418 1123 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.217 1123 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.217 1123 G C 0.356 175.130 174.900 -0.210 0.000 1.158 1123 G CA 0.673 45.621 45.100 -0.254 0.000 0.771 1123 G HN 0.461 nan 8.290 nan 0.000 0.545 1124 H N 0.952 120.046 119.070 0.040 0.000 3.160 1124 H HA 0.483 5.039 4.556 -0.000 0.000 0.257 1124 H C 0.776 176.149 175.328 0.076 0.000 1.140 1124 H CA 0.384 56.461 56.048 0.048 0.000 1.492 1124 H CB 0.611 30.395 29.762 0.037 0.000 1.529 1124 H HN 0.289 nan 8.280 nan 0.000 0.490 1125 A N 3.038 125.963 122.820 0.175 0.000 1.761 1125 A HA 0.388 4.708 4.320 -0.000 0.000 0.168 1125 A C 1.950 179.690 177.584 0.261 0.000 1.884 1125 A CA 0.419 52.571 52.037 0.192 0.000 1.217 1125 A CB -0.714 18.367 19.000 0.135 0.000 0.934 1125 A HN 0.532 nan 8.150 nan 0.000 0.682 1126 A N 0.136 123.088 122.820 0.219 0.000 2.234 1126 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 1126 A C 0.499 178.234 177.584 0.252 0.000 1.167 1126 A CA 1.079 53.281 52.037 0.275 0.000 0.698 1126 A CB -0.695 18.407 19.000 0.170 0.000 0.779 1126 A HN 0.409 nan 8.150 nan 0.000 0.475 1127 D N 0.357 120.855 120.400 0.163 0.000 2.482 1127 D HA 0.074 4.714 4.640 -0.000 0.000 0.244 1127 D C 1.456 177.695 176.300 -0.102 0.000 1.242 1127 D CA 0.243 54.275 54.000 0.052 0.000 1.097 1127 D CB 0.486 41.327 40.800 0.067 0.000 1.109 1127 D HN 0.528 nan 8.370 nan 0.000 0.510 1128 Q N 2.588 122.265 119.800 -0.204 0.000 2.065 1128 Q HA -0.290 4.049 4.340 -0.000 0.000 0.213 1128 Q C 1.637 177.340 176.000 -0.494 0.000 1.012 1128 Q CA 2.223 57.674 55.803 -0.587 0.000 0.876 1128 Q CB -0.129 28.396 28.738 -0.355 0.000 0.954 1128 Q HN 0.580 nan 8.270 nan 0.000 0.413 1129 E N -1.012 119.024 120.200 -0.273 0.000 2.051 1129 E HA -0.294 4.056 4.350 -0.000 0.000 0.192 1129 E C 2.020 178.508 176.600 -0.187 0.000 0.991 1129 E CA 1.192 57.464 56.400 -0.213 0.000 0.799 1129 E CB -0.245 29.373 29.700 -0.138 0.000 0.748 1129 E HN 0.483 nan 8.360 nan 0.000 0.449 1130 Q N 0.785 120.498 119.800 -0.145 0.000 2.268 1130 Q HA -0.274 4.066 4.340 -0.000 0.000 0.213 1130 Q C 1.638 177.569 176.000 -0.115 0.000 0.995 1130 Q CA 2.183 57.917 55.803 -0.114 0.000 0.901 1130 Q CB -0.551 28.151 28.738 -0.061 0.000 0.921 1130 Q HN 0.376 nan 8.270 nan 0.000 0.421 1131 A N 0.384 123.107 122.820 -0.162 0.000 1.835 1131 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 1131 A C 1.952 179.456 177.584 -0.134 0.000 1.199 1131 A CA 1.840 53.792 52.037 -0.141 0.000 0.615 1131 A CB -0.642 18.212 19.000 -0.244 0.000 0.838 1131 A HN 0.461 nan 8.150 nan 0.000 0.444 1132 K N -0.406 119.885 120.400 -0.182 0.000 2.030 1132 K HA -0.239 4.081 4.320 -0.000 0.000 0.222 1132 K C 1.789 178.321 176.600 -0.113 0.000 1.056 1132 K CA 1.955 58.149 56.287 -0.154 0.000 0.957 1132 K CB -0.811 31.588 32.500 -0.168 0.000 0.727 1132 K HN 0.448 nan 8.250 nan 0.000 0.452 1133 L N 0.681 121.839 121.223 -0.108 0.000 2.230 1133 L HA -0.269 4.071 4.340 -0.000 0.000 0.217 1133 L C 2.189 179.018 176.870 -0.068 0.000 1.090 1133 L CA 1.278 56.067 54.840 -0.086 0.000 0.771 1133 L CB -0.589 41.416 42.059 -0.090 0.000 0.892 1133 L HN 0.311 nan 8.230 nan 0.000 0.438 1134 I N -2.108 118.424 120.570 -0.063 0.000 2.927 1134 I HA -0.091 4.079 4.170 -0.000 0.000 0.268 1134 I C 2.628 178.728 176.117 -0.030 0.000 1.153 1134 I CA 0.169 61.446 61.300 -0.038 0.000 1.459 1134 I CB -0.404 37.582 38.000 -0.024 0.000 1.149 1134 I HN 0.140 nan 8.210 nan 0.000 0.443 1135 R N 2.303 122.778 120.500 -0.041 0.000 2.122 1135 R HA -0.228 4.112 4.340 -0.000 0.000 0.236 1135 R C 2.082 178.371 176.300 -0.019 0.000 1.129 1135 R CA 2.656 58.740 56.100 -0.027 0.000 0.925 1135 R CB -0.578 29.688 30.300 -0.058 0.000 0.850 1135 R HN 0.442 nan 8.270 nan 0.000 0.431 1136 S N -0.726 114.947 115.700 -0.045 0.000 2.805 1136 S HA 0.113 4.583 4.470 -0.000 0.000 0.230 1136 S C 1.212 175.795 174.600 -0.027 0.000 0.968 1136 S CA 0.476 58.652 58.200 -0.039 0.000 0.976 1136 S CB 0.471 63.633 63.200 -0.063 0.000 0.787 1136 S HN 0.524 nan 8.310 nan 0.000 0.533 1137 A N 0.464 123.273 122.820 -0.019 0.000 2.324 1137 A HA 0.547 4.867 4.320 -0.000 0.000 0.220 1137 A C 1.572 179.159 177.584 0.004 0.000 1.209 1137 A CA -0.075 51.955 52.037 -0.013 0.000 0.918 1137 A CB 0.004 18.993 19.000 -0.018 0.000 0.959 1137 A HN 0.563 nan 8.150 nan 0.000 0.507 1138 I N -1.107 119.471 120.570 0.014 0.000 3.345 1138 I HA 0.108 4.278 4.170 -0.000 0.000 0.258 1138 I C 0.934 177.082 176.117 0.052 0.000 1.134 1138 I CA -0.122 61.196 61.300 0.030 0.000 1.457 1138 I CB -0.484 37.532 38.000 0.027 0.000 1.425 1138 I HN 0.293 nan 8.210 nan 0.000 0.461 1139 E N 2.605 122.838 120.200 0.055 0.000 2.975 1139 E HA -0.251 4.099 4.350 -0.000 0.000 0.269 1139 E C -0.151 176.511 176.600 0.103 0.000 0.905 1139 E CA 0.345 56.794 56.400 0.082 0.000 0.967 1139 E CB 0.169 29.921 29.700 0.086 0.000 0.925 1139 E HN 0.211 nan 8.360 nan 0.000 0.507 1140 H N 3.079 122.154 119.070 0.009 0.000 2.690 1140 H HA 0.271 4.826 4.556 -0.000 0.000 0.314 1140 H C -1.089 174.241 175.328 0.003 0.000 1.069 1140 H CA 0.193 56.242 56.048 0.001 0.000 1.436 1140 H CB 0.870 30.631 29.762 -0.002 0.000 1.462 1140 H HN 0.379 nan 8.280 nan 0.000 0.511 1141 T N 4.870 119.216 114.554 -0.347 0.000 2.879 1141 T HA 0.348 4.698 4.350 -0.000 0.000 0.290 1141 T C -0.714 173.776 174.700 -0.350 0.000 0.993 1141 T CA -0.871 61.075 62.100 -0.256 0.000 0.975 1141 T CB 1.009 69.805 68.868 -0.120 0.000 0.981 1141 T HN 0.721 nan 8.240 nan 0.000 0.439 1142 T N 0.997 115.399 114.554 -0.254 0.000 2.885 1142 T HA 0.481 4.831 4.350 -0.000 0.000 0.285 1142 T C 1.217 175.858 174.700 -0.099 0.000 1.019 1142 T CA -0.926 61.065 62.100 -0.182 0.000 1.010 1142 T CB 1.434 70.227 68.868 -0.126 0.000 1.022 1142 T HN 0.242 nan 8.240 nan 0.000 0.466 1143 L N 1.749 122.927 121.223 -0.076 0.000 2.051 1143 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 1143 L C 2.541 179.391 176.870 -0.033 0.000 1.076 1143 L CA 2.038 56.847 54.840 -0.051 0.000 0.758 1143 L CB -0.922 41.118 42.059 -0.032 0.000 0.890 1143 L HN 0.948 nan 8.230 nan 0.000 0.433 1144 K N -0.853 119.532 120.400 -0.024 0.000 2.173 1144 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 1144 K C 2.058 178.651 176.600 -0.011 0.000 1.046 1144 K CA 1.807 58.088 56.287 -0.010 0.000 0.929 1144 K CB -0.186 32.313 32.500 -0.002 0.000 0.720 1144 K HN 0.703 nan 8.250 nan 0.000 0.453 1145 S N -0.226 115.461 115.700 -0.022 0.000 2.387 1145 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 1145 S C 1.867 176.459 174.600 -0.013 0.000 1.026 1145 S CA 0.970 59.160 58.200 -0.016 0.000 0.972 1145 S CB -0.239 62.948 63.200 -0.023 0.000 0.814 1145 S HN 0.239 nan 8.310 nan 0.000 0.477 1146 V N -0.906 118.995 119.914 -0.022 0.000 3.647 1146 V HA 0.271 4.390 4.120 -0.000 0.000 0.279 1146 V C 0.496 176.582 176.094 -0.015 0.000 1.314 1146 V CA -0.030 62.258 62.300 -0.020 0.000 1.125 1146 V CB -1.129 30.674 31.823 -0.033 0.000 0.907 1146 V HN 0.302 nan 8.190 nan 0.000 0.434 1147 T N 1.394 115.942 114.554 -0.010 0.000 2.817 1147 T HA 0.559 4.909 4.350 -0.000 0.000 0.293 1147 T C 1.084 175.787 174.700 0.005 0.000 0.964 1147 T CA -0.002 62.096 62.100 -0.003 0.000 1.085 1147 T CB 2.019 70.887 68.868 0.001 0.000 0.921 1147 T HN 0.178 nan 8.240 nan 0.000 0.502 1148 I N 1.277 121.852 120.570 0.009 0.000 2.628 1148 I HA 0.338 4.508 4.170 -0.000 0.000 0.255 1148 I C 1.109 177.238 176.117 0.020 0.000 1.119 1148 I CA 0.239 61.547 61.300 0.013 0.000 1.448 1148 I CB 0.175 38.183 38.000 0.014 0.000 1.133 1148 I HN 0.640 nan 8.210 nan 0.000 0.438 1149 A N 0.133 122.967 122.820 0.024 0.000 2.594 1149 A HA 0.581 4.901 4.320 -0.000 0.000 0.296 1149 A C -0.706 176.901 177.584 0.039 0.000 1.056 1149 A CA -0.431 51.626 52.037 0.033 0.000 0.693 1149 A CB 1.092 20.116 19.000 0.041 0.000 1.278 1149 A HN 0.102 nan 8.150 nan 0.000 0.408 1150 S N 0.651 116.378 115.700 0.045 0.000 2.568 1150 S HA 0.920 5.390 4.470 -0.000 0.000 0.302 1150 S C -0.633 174.018 174.600 0.085 0.000 1.082 1150 S CA -0.512 57.720 58.200 0.052 0.000 1.009 1150 S CB 1.819 65.043 63.200 0.040 0.000 1.069 1150 S HN 0.741 nan 8.310 nan 0.000 0.500 1151 E N 0.320 120.591 120.200 0.118 0.000 2.392 1151 E HA 0.467 4.817 4.350 -0.000 0.000 0.279 1151 E C -1.383 175.366 176.600 0.249 0.000 0.964 1151 E CA -0.687 55.840 56.400 0.213 0.000 0.777 1151 E CB 2.136 32.075 29.700 0.399 0.000 1.249 1151 E HN 0.706 nan 8.360 nan 0.000 0.449 1152 I N 2.054 122.787 120.570 0.272 0.000 2.464 1152 I HA 0.361 4.531 4.170 -0.000 0.000 0.277 1152 I C -0.936 175.436 176.117 0.425 0.000 1.040 1152 I CA -0.768 60.698 61.300 0.277 0.000 1.153 1152 I CB 0.053 38.114 38.000 0.102 0.000 1.274 1152 I HN 0.327 nan 8.210 nan 0.000 0.469 1153 Y N 3.822 124.249 120.300 0.213 0.000 2.408 1153 Y HA 0.303 4.853 4.550 -0.000 0.000 0.324 1153 Y C -0.282 175.848 175.900 0.383 0.000 1.302 1153 Y CA -0.823 57.427 58.100 0.250 0.000 1.384 1153 Y CB 0.635 39.180 38.460 0.141 0.000 1.367 1153 Y HN 0.400 nan 8.280 nan 0.000 0.525 1154 Y N 1.766 122.254 120.300 0.313 0.000 2.587 1154 Y HA 0.320 4.870 4.550 -0.000 0.000 0.328 1154 Y C -1.034 174.864 175.900 -0.004 0.000 0.980 1154 Y CA -0.861 57.257 58.100 0.029 0.000 1.272 1154 Y CB 0.279 38.677 38.460 -0.103 0.000 1.094 1154 Y HN 0.491 nan 8.280 nan 0.000 0.503 1155 D N 8.273 128.409 120.400 -0.441 0.000 2.440 1155 D HA 0.239 4.879 4.640 -0.000 0.000 0.252 1155 D C -2.237 173.776 176.300 -0.477 0.000 1.180 1155 D CA -1.526 52.274 54.000 -0.333 0.000 0.894 1155 D CB 2.434 43.173 40.800 -0.102 0.000 1.111 1155 D HN 0.293 nan 8.370 nan 0.000 0.544 1156 P HA 0.046 nan 4.420 nan 0.000 0.239 1156 P C 0.138 177.316 177.300 -0.203 0.000 1.188 1156 P CA 0.171 63.017 63.100 -0.425 0.000 0.794 1156 P CB 0.841 32.288 31.700 -0.421 0.000 0.937 1157 D N 2.229 122.543 120.400 -0.145 0.000 2.468 1157 D HA 0.121 4.761 4.640 -0.000 0.000 0.218 1157 D C -1.344 174.929 176.300 -0.045 0.000 1.155 1157 D CA -2.452 51.502 54.000 -0.076 0.000 0.924 1157 D CB 0.569 41.338 40.800 -0.051 0.000 1.029 1157 D HN 0.068 nan 8.370 nan 0.000 0.515 1158 P HA -0.103 nan 4.420 nan 0.000 0.249 1158 P C 0.328 177.673 177.300 0.075 0.000 1.227 1158 P CA 0.498 63.606 63.100 0.013 0.000 0.753 1158 P CB 0.210 31.901 31.700 -0.014 0.000 0.966 1159 R N -0.567 119.961 120.500 0.047 0.000 2.509 1159 R HA 0.209 4.549 4.340 -0.000 0.000 0.297 1159 R C 0.129 176.435 176.300 0.010 0.000 0.951 1159 R CA 0.160 56.294 56.100 0.056 0.000 1.103 1159 R CB 0.666 30.976 30.300 0.017 0.000 1.283 1159 R HN 0.191 nan 8.270 nan 0.000 0.534 1160 S N -0.708 114.997 115.700 0.007 0.000 2.586 1160 S HA 0.224 4.694 4.470 -0.000 0.000 0.296 1160 S C -0.737 173.859 174.600 -0.006 0.000 1.120 1160 S CA -0.819 57.379 58.200 -0.004 0.000 0.927 1160 S CB 1.955 65.145 63.200 -0.017 0.000 1.114 1160 S HN -0.097 nan 8.310 nan 0.000 0.453 1161 T N 2.713 117.266 114.554 -0.001 0.000 2.875 1161 T HA 0.380 4.730 4.350 -0.000 0.000 0.284 1161 T C 1.340 176.050 174.700 0.017 0.000 0.995 1161 T CA -0.582 61.517 62.100 -0.001 0.000 1.060 1161 T CB 1.395 70.257 68.868 -0.010 0.000 0.967 1161 T HN 0.688 nan 8.240 nan 0.000 0.476 1162 V N 3.042 122.979 119.914 0.038 0.000 3.383 1162 V HA 0.047 4.167 4.120 -0.000 0.000 0.272 1162 V C 0.645 176.793 176.094 0.089 0.000 1.181 1162 V CA 1.030 63.370 62.300 0.067 0.000 1.171 1162 V CB -1.264 30.618 31.823 0.098 0.000 0.800 1162 V HN 0.645 nan 8.190 nan 0.000 0.515 1163 I N 1.549 122.162 120.570 0.072 0.000 2.404 1163 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 1163 I C -0.940 175.197 176.117 0.035 0.000 0.992 1163 I CA -2.125 59.218 61.300 0.071 0.000 1.149 1163 I CB 1.840 39.863 38.000 0.038 0.000 1.315 1163 I HN -0.057 nan 8.210 nan 0.000 0.446 1164 P HA -0.188 nan 4.420 nan 0.000 0.205 1164 P C 0.921 178.230 177.300 0.016 0.000 1.193 1164 P CA 1.587 64.702 63.100 0.025 0.000 0.929 1164 P CB 0.133 31.850 31.700 0.029 0.000 0.772 1165 E N -0.282 119.928 120.200 0.017 0.000 2.370 1165 E HA -0.229 4.121 4.350 -0.000 0.000 0.205 1165 E C 1.246 177.848 176.600 0.003 0.000 1.037 1165 E CA 1.569 57.976 56.400 0.011 0.000 0.845 1165 E CB -0.633 29.075 29.700 0.013 0.000 0.753 1165 E HN 0.385 nan 8.360 nan 0.000 0.507 1166 D N -0.253 120.144 120.400 -0.004 0.000 2.367 1166 D HA -0.003 4.637 4.640 -0.000 0.000 0.207 1166 D C 1.310 177.611 176.300 0.001 0.000 1.034 1166 D CA 0.129 54.123 54.000 -0.012 0.000 0.861 1166 D CB 0.186 40.963 40.800 -0.039 0.000 0.943 1166 D HN 0.182 nan 8.370 nan 0.000 0.515 1167 E N 0.817 121.020 120.200 0.004 0.000 2.065 1167 E HA -0.289 4.061 4.350 -0.000 0.000 0.201 1167 E C 1.731 178.338 176.600 0.011 0.000 1.016 1167 E CA 1.083 57.486 56.400 0.005 0.000 0.818 1167 E CB -0.057 29.644 29.700 0.001 0.000 0.749 1167 E HN 0.390 nan 8.360 nan 0.000 0.453 1168 E N 0.600 120.807 120.200 0.011 0.000 2.219 1168 E HA -0.207 4.142 4.350 -0.000 0.000 0.198 1168 E C 1.950 178.569 176.600 0.031 0.000 0.998 1168 E CA 0.855 57.264 56.400 0.016 0.000 0.818 1168 E CB -0.074 29.634 29.700 0.014 0.000 0.741 1168 E HN 0.294 nan 8.360 nan 0.000 0.477 1169 I N 0.544 121.135 120.570 0.034 0.000 2.830 1169 I HA -0.192 3.978 4.170 -0.000 0.000 0.263 1169 I C 1.873 178.044 176.117 0.090 0.000 1.230 1169 I CA 0.483 61.811 61.300 0.047 0.000 1.480 1169 I CB -0.123 37.890 38.000 0.022 0.000 1.095 1169 I HN 0.186 nan 8.210 nan 0.000 0.455 1170 I N 0.006 120.641 120.570 0.108 0.000 2.385 1170 I HA -0.161 4.009 4.170 -0.000 0.000 0.244 1170 I C 2.389 178.697 176.117 0.319 0.000 1.089 1170 I CA 0.719 62.153 61.300 0.224 0.000 1.410 1170 I CB -0.750 37.356 38.000 0.177 0.000 1.117 1170 I HN 0.090 nan 8.210 nan 0.000 0.429 1171 Q N 1.511 121.372 119.800 0.102 0.000 2.173 1171 Q HA -0.181 4.159 4.340 -0.000 0.000 0.208 1171 Q C 2.195 178.266 176.000 0.118 0.000 0.989 1171 Q CA 1.534 57.330 55.803 -0.012 0.000 0.872 1171 Q CB -0.383 28.326 28.738 -0.050 0.000 0.909 1171 Q HN 0.564 nan 8.270 nan 0.000 0.420 1172 L N -0.373 120.931 121.223 0.135 0.000 2.552 1172 L HA -0.017 4.323 4.340 -0.000 0.000 0.227 1172 L C 1.220 178.141 176.870 0.085 0.000 1.146 1172 L CA 0.262 55.154 54.840 0.088 0.000 0.858 1172 L CB -0.126 41.952 42.059 0.031 0.000 0.969 1172 L HN 0.268 nan 8.230 nan 0.000 0.451 1173 H N -0.592 118.605 119.070 0.212 0.000 2.452 1173 H HA 0.195 4.751 4.556 -0.000 0.000 0.240 1173 H C -0.198 175.077 175.328 -0.088 0.000 1.498 1173 H CA 0.005 56.072 56.048 0.031 0.000 1.142 1173 H CB 0.326 30.014 29.762 -0.124 0.000 1.599 1173 H HN 0.177 nan 8.280 nan 0.000 0.527 1174 F N -1.354 118.591 119.950 -0.008 0.000 2.897 1174 F HA 0.030 4.557 4.527 -0.000 0.000 0.377 1174 F C 1.244 177.025 175.800 -0.032 0.000 0.917 1174 F CA -0.211 57.793 58.000 0.006 0.000 1.079 1174 F CB 0.343 39.348 39.000 0.010 0.000 1.068 1174 F HN 0.068 nan 8.300 nan 0.000 0.581 1175 S N 0.821 116.583 115.700 0.104 0.000 2.758 1175 S HA 0.743 5.213 4.470 -0.000 0.000 0.292 1175 S C -0.150 174.427 174.600 -0.038 0.000 1.131 1175 S CA -0.726 57.492 58.200 0.029 0.000 0.997 1175 S CB 1.385 64.600 63.200 0.024 0.000 1.111 1175 S HN 0.061 nan 8.310 nan 0.000 0.552 1188 Q N 1.413 121.167 119.800 -0.076 0.000 2.256 1188 Q HA 0.612 4.952 4.340 -0.000 0.000 0.232 1188 Q C -0.795 175.190 176.000 -0.025 0.000 0.965 1188 Q CA -0.279 55.491 55.803 -0.056 0.000 0.908 1188 Q CB 1.777 30.459 28.738 -0.094 0.000 1.209 1188 Q HN 0.282 nan 8.270 nan 0.000 0.489 1189 S N 0.554 116.260 115.700 0.010 0.000 2.616 1189 S HA 0.317 4.787 4.470 -0.000 0.000 0.277 1189 S C -1.841 172.743 174.600 -0.025 0.000 1.234 1189 S CA -1.757 56.461 58.200 0.030 0.000 1.028 1189 S CB 0.668 63.941 63.200 0.122 0.000 0.988 1189 S HN 0.474 nan 8.310 nan 0.000 0.522 1190 P HA 0.089 nan 4.420 nan 0.000 0.245 1190 P C -0.421 176.658 177.300 -0.369 0.000 1.206 1190 P CA 0.091 62.984 63.100 -0.346 0.000 0.781 1190 P CB -0.027 31.347 31.700 -0.543 0.000 0.994 1191 W N 1.218 122.491 121.300 -0.044 0.000 2.481 1191 W HA 0.298 4.958 4.660 -0.000 0.000 0.320 1191 W C 0.415 176.941 176.519 0.013 0.000 1.209 1191 W CA -0.930 56.428 57.345 0.020 0.000 1.400 1191 W CB 0.329 29.831 29.460 0.070 0.000 1.361 1191 W HN -0.090 nan 8.180 nan 0.000 0.456 1192 L N 5.569 126.995 121.223 0.339 0.000 2.357 1192 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 1192 L C -0.868 176.119 176.870 0.194 0.000 1.080 1192 L CA -0.738 54.219 54.840 0.195 0.000 0.803 1192 L CB 0.865 42.996 42.059 0.120 0.000 1.174 1192 L HN 0.294 nan 8.230 nan 0.000 0.443 1193 L N 5.037 126.316 121.223 0.092 0.000 2.376 1193 L HA 0.608 4.948 4.340 -0.000 0.000 0.275 1193 L C -1.021 175.856 176.870 0.012 0.000 0.987 1193 L CA -0.373 54.505 54.840 0.063 0.000 0.828 1193 L CB 1.353 43.428 42.059 0.028 0.000 1.249 1193 L HN 0.766 nan 8.230 nan 0.000 0.409 1194 R N 5.081 125.585 120.500 0.008 0.000 2.513 1194 R HA 0.760 5.100 4.340 -0.000 0.000 0.301 1194 R C -1.866 174.430 176.300 -0.007 0.000 0.968 1194 R CA -0.572 55.501 56.100 -0.045 0.000 0.872 1194 R CB 1.247 31.438 30.300 -0.181 0.000 1.177 1194 R HN 0.766 nan 8.270 nan 0.000 0.444 1195 L N 3.379 124.599 121.223 -0.006 0.000 2.325 1195 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 1195 L C -0.254 176.619 176.870 0.005 0.000 1.004 1195 L CA -0.584 54.261 54.840 0.008 0.000 0.823 1195 L CB 1.915 43.980 42.059 0.010 0.000 1.236 1195 L HN 0.622 nan 8.230 nan 0.000 0.415 1196 E N 4.547 124.753 120.200 0.011 0.000 2.055 1196 E HA 0.419 4.769 4.350 -0.000 0.000 0.274 1196 E C -1.010 175.594 176.600 0.008 0.000 0.949 1196 E CA -0.533 55.873 56.400 0.011 0.000 0.775 1196 E CB 0.958 30.669 29.700 0.018 0.000 1.097 1196 E HN 0.497 nan 8.360 nan 0.000 0.404 1197 L N 2.603 123.828 121.223 0.003 0.000 2.439 1197 L HA 0.314 4.654 4.340 -0.000 0.000 0.259 1197 L C 0.489 177.358 176.870 -0.002 0.000 1.129 1197 L CA -0.683 54.154 54.840 -0.004 0.000 0.803 1197 L CB 0.682 42.731 42.059 -0.016 0.000 1.161 1197 L HN 0.478 nan 8.230 nan 0.000 0.462 1198 D N 0.474 120.871 120.400 -0.005 0.000 2.274 1198 D HA 0.150 4.789 4.640 -0.000 0.000 0.239 1198 D C 0.811 177.107 176.300 -0.006 0.000 1.104 1198 D CA -0.188 53.811 54.000 -0.002 0.000 0.840 1198 D CB 1.503 42.303 40.800 -0.000 0.000 1.100 1198 D HN 0.382 nan 8.370 nan 0.000 0.477 1199 R N 2.769 123.267 120.500 -0.003 0.000 2.082 1199 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 1199 R C 1.956 178.251 176.300 -0.007 0.000 1.136 1199 R CA 1.806 57.902 56.100 -0.006 0.000 0.935 1199 R CB -0.179 30.119 30.300 -0.002 0.000 0.842 1199 R HN 0.579 nan 8.270 nan 0.000 0.430 1200 A N 0.890 123.708 122.820 -0.004 0.000 1.863 1200 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 1200 A C 2.346 179.929 177.584 -0.003 0.000 1.233 1200 A CA 2.409 54.444 52.037 -0.002 0.000 0.655 1200 A CB -1.313 17.688 19.000 0.002 0.000 0.839 1200 A HN 0.557 nan 8.150 nan 0.000 0.454 1201 A N -1.888 120.931 122.820 -0.001 0.000 2.084 1201 A HA -0.139 4.181 4.320 -0.000 0.000 0.221 1201 A C 1.998 179.575 177.584 -0.012 0.000 1.161 1201 A CA 2.012 54.048 52.037 -0.001 0.000 0.653 1201 A CB -0.483 18.516 19.000 -0.002 0.000 0.802 1201 A HN 0.480 nan 8.150 nan 0.000 0.457 1202 M N -0.327 119.262 119.600 -0.018 0.000 2.558 1202 M HA 0.031 4.511 4.480 -0.000 0.000 0.255 1202 M C 1.032 177.313 176.300 -0.032 0.000 1.113 1202 M CA 0.683 55.966 55.300 -0.030 0.000 1.097 1202 M CB -0.960 31.622 32.600 -0.031 0.000 1.426 1202 M HN 0.427 nan 8.290 nan 0.000 0.488 1203 N N -0.109 118.575 118.700 -0.026 0.000 2.482 1203 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 1203 N C 1.350 176.837 175.510 -0.037 0.000 1.039 1203 N CA 0.458 53.490 53.050 -0.031 0.000 0.884 1203 N CB 0.044 38.516 38.487 -0.025 0.000 1.113 1203 N HN 0.334 nan 8.380 nan 0.000 0.440 1204 D N 1.591 121.977 120.400 -0.023 0.000 2.127 1204 D HA -0.142 4.498 4.640 -0.000 0.000 0.190 1204 D C -0.169 176.102 176.300 -0.048 0.000 1.000 1204 D CA 1.251 55.240 54.000 -0.018 0.000 0.839 1204 D CB 0.234 41.052 40.800 0.030 0.000 0.955 1204 D HN 0.201 nan 8.370 nan 0.000 0.446 1205 K N 1.766 122.148 120.400 -0.030 0.000 2.347 1205 K HA 0.154 4.474 4.320 -0.000 0.000 0.262 1205 K C -0.772 175.796 176.600 -0.053 0.000 1.052 1205 K CA -0.660 55.603 56.287 -0.041 0.000 0.946 1205 K CB 1.617 34.108 32.500 -0.015 0.000 1.220 1205 K HN 0.004 nan 8.250 nan 0.000 0.450 1206 D N 3.425 123.785 120.400 -0.066 0.000 2.982 1206 D HA -0.110 4.530 4.640 -0.000 0.000 0.222 1206 D C -0.312 175.951 176.300 -0.061 0.000 1.124 1206 D CA 1.298 55.260 54.000 -0.063 0.000 0.810 1206 D CB 0.395 41.155 40.800 -0.067 0.000 1.152 1206 D HN 0.360 nan 8.370 nan 0.000 0.538 1207 L N 1.919 123.106 121.223 -0.060 0.000 2.582 1207 L HA 0.339 4.679 4.340 -0.000 0.000 0.257 1207 L C -0.296 176.531 176.870 -0.072 0.000 0.974 1207 L CA -0.644 54.154 54.840 -0.071 0.000 0.851 1207 L CB 2.644 44.659 42.059 -0.074 0.000 1.424 1207 L HN 0.146 nan 8.230 nan 0.000 0.412 1208 T N 1.482 115.980 114.554 -0.093 0.000 2.916 1208 T HA 0.304 4.654 4.350 -0.000 0.000 0.298 1208 T C 0.923 175.521 174.700 -0.169 0.000 1.031 1208 T CA -0.679 61.363 62.100 -0.097 0.000 0.993 1208 T CB 1.922 70.746 68.868 -0.074 0.000 1.045 1208 T HN 0.418 nan 8.240 nan 0.000 0.454 1209 M N 1.625 121.112 119.600 -0.187 0.000 2.103 1209 M HA -0.112 4.368 4.480 -0.000 0.000 0.255 1209 M C 2.489 178.404 176.300 -0.643 0.000 1.074 1209 M CA 2.261 57.338 55.300 -0.372 0.000 1.090 1209 M CB -2.035 30.395 32.600 -0.283 0.000 1.325 1209 M HN 0.853 nan 8.290 nan 0.000 0.403 1210 G N 0.211 108.756 108.800 -0.425 0.000 2.681 1210 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 1210 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 1210 G C 1.467 176.134 174.900 -0.389 0.000 1.210 1210 G CA 1.421 46.311 45.100 -0.351 0.000 0.783 1210 G HN 0.609 nan 8.290 nan 0.000 0.609 1211 Q N -0.208 119.445 119.800 -0.245 0.000 1.985 1211 Q HA -0.145 4.195 4.340 -0.000 0.000 0.207 1211 Q C 2.878 178.726 176.000 -0.253 0.000 0.996 1211 Q CA 1.954 57.641 55.803 -0.194 0.000 0.851 1211 Q CB -0.669 27.987 28.738 -0.137 0.000 0.921 1211 Q HN 0.372 nan 8.270 nan 0.000 0.418 1212 V N 0.950 120.692 119.914 -0.285 0.000 2.227 1212 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 1212 V C 2.256 178.150 176.094 -0.332 0.000 1.046 1212 V CA 2.270 64.406 62.300 -0.273 0.000 1.015 1212 V CB -1.682 29.975 31.823 -0.278 0.000 0.648 1212 V HN 0.663 nan 8.190 nan 0.000 0.460 1213 G N -0.847 107.591 108.800 -0.603 0.000 2.553 1213 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 1213 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 1213 G C 1.417 176.098 174.900 -0.364 0.000 1.195 1213 G CA 1.044 45.757 45.100 -0.645 0.000 0.779 1213 G HN 0.553 nan 8.290 nan 0.000 0.577 1214 E N 0.107 120.050 120.200 -0.429 0.000 2.197 1214 E HA -0.249 4.101 4.350 -0.000 0.000 0.205 1214 E C 2.610 179.180 176.600 -0.049 0.000 1.029 1214 E CA 1.387 57.727 56.400 -0.100 0.000 0.828 1214 E CB -0.147 29.504 29.700 -0.082 0.000 0.737 1214 E HN 0.229 nan 8.360 nan 0.000 0.464 1215 R N 0.686 121.128 120.500 -0.098 0.000 2.061 1215 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 1215 R C 2.453 178.742 176.300 -0.018 0.000 1.140 1215 R CA 1.078 57.142 56.100 -0.060 0.000 0.940 1215 R CB -0.838 29.412 30.300 -0.084 0.000 0.839 1215 R HN 0.160 nan 8.270 nan 0.000 0.429 1216 I N 0.724 121.294 120.570 -0.000 0.000 2.091 1216 I HA -0.418 3.752 4.170 -0.000 0.000 0.240 1216 I C 2.409 178.661 176.117 0.226 0.000 1.046 1216 I CA 2.022 63.396 61.300 0.124 0.000 1.306 1216 I CB -0.492 37.592 38.000 0.139 0.000 1.018 1216 I HN 0.237 nan 8.210 nan 0.000 0.404 1217 K N 0.921 121.428 120.400 0.178 0.000 2.152 1217 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 1217 K C 2.056 178.751 176.600 0.158 0.000 1.048 1217 K CA 1.699 58.105 56.287 0.198 0.000 0.933 1217 K CB -0.048 32.565 32.500 0.188 0.000 0.721 1217 K HN 0.563 nan 8.250 nan 0.000 0.447 1218 Q N -1.405 118.449 119.800 0.090 0.000 2.403 1218 Q HA 0.043 4.383 4.340 -0.000 0.000 0.203 1218 Q C 0.728 176.726 176.000 -0.003 0.000 0.932 1218 Q CA 0.731 56.563 55.803 0.049 0.000 0.945 1218 Q CB 0.591 29.345 28.738 0.027 0.000 1.045 1218 Q HN 0.039 nan 8.270 nan 0.000 0.511 1219 T N -0.342 114.191 114.554 -0.035 0.000 3.031 1219 T HA 0.133 4.483 4.350 -0.000 0.000 0.254 1219 T C 0.608 175.076 174.700 -0.386 0.000 1.060 1219 T CA 0.619 62.575 62.100 -0.239 0.000 1.135 1219 T CB -0.006 68.641 68.868 -0.368 0.000 0.896 1219 T HN 0.311 nan 8.240 nan 0.000 0.472 1220 F N 0.507 120.471 119.950 0.023 0.000 2.592 1220 F HA 0.390 4.917 4.527 -0.000 0.000 0.280 1220 F C 1.248 177.069 175.800 0.034 0.000 1.083 1220 F CA -0.341 57.677 58.000 0.029 0.000 1.365 1220 F CB 0.234 39.255 39.000 0.035 0.000 1.100 1220 F HN -0.094 nan 8.300 nan 0.000 0.633 1221 K N -0.193 120.339 120.400 0.219 0.000 6.203 1221 K HA -0.270 4.050 4.320 -0.000 0.000 0.219 1221 K C -0.666 176.019 176.600 0.142 0.000 1.545 1221 K CA 1.087 57.459 56.287 0.142 0.000 0.759 1221 K CB -1.272 31.285 32.500 0.096 0.000 0.651 1221 K HN 0.035 nan 8.250 nan 0.000 0.535 1222 N N 2.619 121.385 118.700 0.109 0.000 3.083 1222 N HA 0.167 4.907 4.740 -0.000 0.000 0.260 1222 N C -1.048 174.515 175.510 0.087 0.000 1.163 1222 N CA 0.561 53.667 53.050 0.092 0.000 1.060 1222 N CB 0.385 38.911 38.487 0.066 0.000 1.345 1222 N HN 0.537 nan 8.380 nan 0.000 0.515 1223 D N 0.495 120.954 120.400 0.099 0.000 4.090 1223 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 1223 D C -0.871 175.463 176.300 0.056 0.000 0.953 1223 D CA -0.340 53.706 54.000 0.077 0.000 0.737 1223 D CB -0.986 39.862 40.800 0.081 0.000 1.711 1223 D HN 0.202 nan 8.370 nan 0.000 0.406 1224 L N 0.940 122.205 121.223 0.069 0.000 2.849 1224 L HA 0.532 4.871 4.340 -0.000 0.000 0.256 1224 L C -2.163 174.766 176.870 0.099 0.000 0.951 1224 L CA -0.736 54.111 54.840 0.011 0.000 1.003 1224 L CB 1.156 43.108 42.059 -0.177 0.000 1.408 1224 L HN -0.030 nan 8.230 nan 0.000 0.463 1225 F N 5.549 125.467 119.950 -0.054 0.000 2.412 1225 F HA 0.773 5.299 4.527 -0.000 0.000 0.348 1225 F C -0.467 175.296 175.800 -0.063 0.000 1.102 1225 F CA -0.053 57.911 58.000 -0.061 0.000 1.196 1225 F CB 1.093 40.044 39.000 -0.081 0.000 1.144 1225 F HN 0.280 nan 8.300 nan 0.000 0.541 1226 V N 6.822 126.305 119.914 -0.718 0.000 2.971 1226 V HA 0.559 4.679 4.120 -0.000 0.000 0.309 1226 V C -0.276 175.320 176.094 -0.829 0.000 1.130 1226 V CA -0.888 61.087 62.300 -0.541 0.000 0.964 1226 V CB 1.988 33.766 31.823 -0.074 0.000 1.029 1226 V HN 0.704 nan 8.190 nan 0.000 0.427 1227 I N 1.680 121.907 120.570 -0.573 0.000 3.264 1227 I HA 0.775 4.945 4.170 -0.000 0.000 0.315 1227 I C -1.602 174.398 176.117 -0.194 0.000 1.154 1227 I CA -0.631 60.216 61.300 -0.756 0.000 0.962 1227 I CB 2.711 40.305 38.000 -0.678 0.000 1.265 1227 I HN 0.915 nan 8.210 nan 0.000 0.463 1228 W N 0.697 121.912 121.300 -0.142 0.000 3.298 1228 W HA 0.604 5.264 4.660 -0.000 0.000 0.302 1228 W C -0.766 175.752 176.519 -0.002 0.000 1.255 1228 W CA -0.882 56.425 57.345 -0.063 0.000 1.196 1228 W CB -0.293 29.135 29.460 -0.055 0.000 1.364 1228 W HN 0.576 nan 8.180 nan 0.000 0.566 1229 S N 0.357 116.212 115.700 0.257 0.000 2.632 1229 S HA 0.458 4.928 4.470 -0.000 0.000 0.254 1229 S C -0.258 174.491 174.600 0.247 0.000 1.291 1229 S CA -0.309 57.995 58.200 0.172 0.000 0.974 1229 S CB 0.748 64.013 63.200 0.107 0.000 1.016 1229 S HN 0.620 nan 8.310 nan 0.000 0.579 1230 E N -0.236 120.055 120.200 0.151 0.000 2.227 1230 E HA 0.239 4.589 4.350 -0.000 0.000 0.268 1230 E C 0.038 176.690 176.600 0.086 0.000 0.907 1230 E CA -0.706 55.778 56.400 0.140 0.000 0.786 1230 E CB 1.203 30.962 29.700 0.097 0.000 1.191 1230 E HN 0.565 nan 8.360 nan 0.000 0.411 1231 D N 1.331 121.773 120.400 0.070 0.000 2.280 1231 D HA -0.219 4.421 4.640 -0.000 0.000 0.206 1231 D C 1.115 177.432 176.300 0.027 0.000 0.988 1231 D CA 1.046 55.067 54.000 0.035 0.000 0.886 1231 D CB 0.212 41.025 40.800 0.022 0.000 0.914 1231 D HN 0.378 nan 8.370 nan 0.000 0.473 1232 N N 1.009 119.728 118.700 0.032 0.000 2.148 1232 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 1232 N C 0.242 175.766 175.510 0.023 0.000 1.031 1232 N CA 0.511 53.575 53.050 0.024 0.000 0.848 1232 N CB 0.146 38.647 38.487 0.023 0.000 1.005 1232 N HN 0.067 nan 8.380 nan 0.000 0.427 1233 D N 0.915 121.333 120.400 0.030 0.000 2.505 1233 D HA -0.154 4.485 4.640 -0.000 0.000 0.229 1233 D C 1.068 177.381 176.300 0.022 0.000 1.215 1233 D CA 0.583 54.600 54.000 0.028 0.000 0.880 1233 D CB 0.466 41.288 40.800 0.036 0.000 1.228 1233 D HN 0.531 nan 8.370 nan 0.000 0.497 1234 E N 0.326 120.537 120.200 0.018 0.000 2.489 1234 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 1234 E C -0.117 176.492 176.600 0.016 0.000 1.057 1234 E CA 0.560 56.968 56.400 0.015 0.000 0.866 1234 E CB 0.320 30.028 29.700 0.013 0.000 0.916 1234 E HN 0.173 nan 8.360 nan 0.000 0.500 1235 K N 1.533 121.945 120.400 0.019 0.000 2.640 1235 K HA 0.315 4.635 4.320 -0.000 0.000 0.245 1235 K C -1.067 175.548 176.600 0.024 0.000 0.962 1235 K CA -0.475 55.823 56.287 0.019 0.000 0.896 1235 K CB 1.819 34.329 32.500 0.016 0.000 1.147 1235 K HN 0.077 nan 8.250 nan 0.000 0.445 1236 L N 5.225 126.461 121.223 0.022 0.000 2.410 1236 L HA 0.420 4.760 4.340 -0.000 0.000 0.273 1236 L C 0.037 176.923 176.870 0.027 0.000 1.144 1236 L CA 0.097 54.953 54.840 0.027 0.000 0.863 1236 L CB -0.016 42.050 42.059 0.011 0.000 1.140 1236 L HN 0.445 nan 8.230 nan 0.000 0.463 1237 I N 4.109 124.707 120.570 0.047 0.000 2.913 1237 I HA 0.441 4.611 4.170 -0.000 0.000 0.302 1237 I C -0.800 175.360 176.117 0.072 0.000 1.246 1237 I CA -0.494 60.827 61.300 0.036 0.000 1.010 1237 I CB 2.993 41.000 38.000 0.011 0.000 1.259 1237 I HN 0.427 nan 8.210 nan 0.000 0.434 1238 I N 4.281 124.879 120.570 0.047 0.000 2.439 1238 I HA 0.451 4.621 4.170 -0.000 0.000 0.283 1238 I C -0.318 175.807 176.117 0.014 0.000 1.023 1238 I CA -0.478 60.866 61.300 0.075 0.000 1.100 1238 I CB 1.574 39.611 38.000 0.063 0.000 1.238 1238 I HN 0.463 nan 8.210 nan 0.000 0.445 1239 R N 4.457 124.947 120.500 -0.017 0.000 2.691 1239 R HA 0.897 5.237 4.340 -0.000 0.000 0.259 1239 R C -0.960 175.287 176.300 -0.088 0.000 1.048 1239 R CA -0.526 55.537 56.100 -0.062 0.000 1.086 1239 R CB 1.904 32.154 30.300 -0.085 0.000 1.166 1239 R HN 0.842 nan 8.270 nan 0.000 0.526 1240 C N -1.188 118.071 119.300 -0.068 0.000 3.086 1240 C HA 0.403 4.863 4.460 -0.000 0.000 0.396 1240 C C -1.079 173.912 174.990 0.002 0.000 1.056 1240 C CA -1.358 57.618 59.018 -0.070 0.000 1.078 1240 C CB 0.744 28.431 27.740 -0.089 0.000 1.467 1240 C HN 0.935 nan 8.230 nan 0.000 0.580 1241 R N 1.540 122.074 120.500 0.056 0.000 2.912 1241 R HA 0.895 5.235 4.340 -0.000 0.000 0.262 1241 R C 0.110 176.444 176.300 0.058 0.000 1.057 1241 R CA -0.691 55.457 56.100 0.080 0.000 0.981 1241 R CB 1.593 31.958 30.300 0.108 0.000 1.201 1241 R HN 0.639 nan 8.270 nan 0.000 0.484 1242 V N 0.020 119.969 119.914 0.058 0.000 3.906 1242 V HA 0.466 4.586 4.120 -0.000 0.000 0.265 1242 V C 0.494 176.614 176.094 0.044 0.000 0.910 1242 V CA -0.216 62.103 62.300 0.031 0.000 0.858 1242 V CB 0.605 32.457 31.823 0.049 0.000 1.199 1242 V HN 0.596 nan 8.190 nan 0.000 0.390 1255 E N 0.450 120.696 120.200 0.076 0.000 2.326 1255 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 1255 E C 0.528 177.153 176.600 0.042 0.000 1.367 1255 E CA 0.728 57.162 56.400 0.056 0.000 0.666 1255 E CB -0.638 29.071 29.700 0.015 0.000 1.147 1255 E HN 0.760 nan 8.360 nan 0.000 0.384 1256 E N 0.485 120.713 120.200 0.048 0.000 2.170 1256 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 1256 E C 1.180 177.650 176.600 -0.216 0.000 0.981 1256 E CA 0.590 56.990 56.400 0.001 0.000 0.830 1256 E CB 0.140 29.985 29.700 0.241 0.000 0.775 1256 E HN 0.427 nan 8.360 nan 0.000 0.470 1257 D N 0.735 120.862 120.400 -0.455 0.000 2.078 1257 D HA -0.186 4.453 4.640 -0.000 0.000 0.193 1257 D C 1.950 178.124 176.300 -0.210 0.000 0.990 1257 D CA 1.030 54.714 54.000 -0.527 0.000 0.827 1257 D CB -0.434 40.007 40.800 -0.598 0.000 0.975 1257 D HN 0.216 nan 8.370 nan 0.000 0.451 1258 H N 0.925 119.883 119.070 -0.186 0.000 2.289 1258 H HA -0.139 4.417 4.556 -0.000 0.000 0.294 1258 H C 2.146 177.426 175.328 -0.081 0.000 1.095 1258 H CA 1.463 57.448 56.048 -0.105 0.000 1.256 1258 H CB -0.424 29.297 29.762 -0.067 0.000 1.359 1258 H HN 0.131 nan 8.280 nan 0.000 0.487 1259 M N -0.027 119.646 119.600 0.121 0.000 2.175 1259 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 1259 M C 1.275 177.585 176.300 0.017 0.000 1.063 1259 M CA 0.893 56.234 55.300 0.068 0.000 1.119 1259 M CB -0.010 32.611 32.600 0.035 0.000 1.377 1259 M HN 0.161 nan 8.290 nan 0.000 0.415 1260 L N 0.984 122.184 121.223 -0.039 0.000 2.873 1260 L HA 0.062 4.402 4.340 -0.000 0.000 0.252 1260 L C 0.854 177.688 176.870 -0.061 0.000 1.266 1260 L CA 1.092 55.898 54.840 -0.057 0.000 1.111 1260 L CB -1.028 40.983 42.059 -0.080 0.000 1.440 1260 L HN 0.224 nan 8.230 nan 0.000 0.427 1261 K N -1.708 118.669 120.400 -0.037 0.000 2.603 1261 K HA 0.150 4.469 4.320 -0.000 0.000 0.205 1261 K C 1.656 178.256 176.600 -0.000 0.000 1.500 1261 K CA -0.028 56.236 56.287 -0.039 0.000 1.059 1261 K CB 0.557 33.004 32.500 -0.089 0.000 1.416 1261 K HN 0.142 nan 8.250 nan 0.000 0.562 1262 K N 0.822 121.238 120.400 0.028 0.000 2.148 1262 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 1262 K C 1.657 178.301 176.600 0.073 0.000 1.050 1262 K CA 1.100 57.421 56.287 0.056 0.000 0.942 1262 K CB 0.122 32.670 32.500 0.079 0.000 0.724 1262 K HN 0.134 nan 8.250 nan 0.000 0.446 1263 I N 0.799 121.406 120.570 0.061 0.000 2.876 1263 I HA -0.162 4.008 4.170 -0.000 0.000 0.264 1263 I C 2.378 178.540 176.117 0.076 0.000 1.204 1263 I CA 0.605 61.956 61.300 0.084 0.000 1.485 1263 I CB -0.056 37.923 38.000 -0.035 0.000 1.103 1263 I HN 0.169 nan 8.210 nan 0.000 0.446 1264 E N 1.977 122.199 120.200 0.037 0.000 2.058 1264 E HA -0.243 4.106 4.350 -0.000 0.000 0.194 1264 E C 1.787 178.419 176.600 0.052 0.000 0.997 1264 E CA 1.873 58.292 56.400 0.032 0.000 0.801 1264 E CB -0.158 29.548 29.700 0.009 0.000 0.746 1264 E HN 0.367 nan 8.360 nan 0.000 0.450 1265 N N -0.299 118.432 118.700 0.051 0.000 2.109 1265 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 1265 N C 1.784 177.337 175.510 0.071 0.000 1.034 1265 N CA 1.902 54.983 53.050 0.051 0.000 0.846 1265 N CB -0.836 37.674 38.487 0.038 0.000 1.010 1265 N HN 0.245 nan 8.380 nan 0.000 0.425 1266 T N 1.676 116.288 114.554 0.097 0.000 2.896 1266 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 1266 T C 1.779 176.555 174.700 0.126 0.000 1.104 1266 T CA 0.921 63.086 62.100 0.110 0.000 1.115 1266 T CB -0.056 68.911 68.868 0.165 0.000 0.843 1266 T HN 0.247 nan 8.240 nan 0.000 0.523 1267 M N -0.367 119.328 119.600 0.158 0.000 2.476 1267 M HA 0.221 4.701 4.480 -0.000 0.000 0.262 1267 M C 1.626 177.968 176.300 0.071 0.000 1.111 1267 M CA 0.863 56.256 55.300 0.155 0.000 1.127 1267 M CB 0.043 32.743 32.600 0.166 0.000 1.376 1267 M HN 0.262 nan 8.290 nan 0.000 0.465 1268 L N -1.011 120.244 121.223 0.053 0.000 2.463 1268 L HA 0.017 4.357 4.340 -0.000 0.000 0.219 1268 L C 1.228 178.111 176.870 0.021 0.000 1.088 1268 L CA 0.669 55.527 54.840 0.030 0.000 0.849 1268 L CB 0.105 42.181 42.059 0.028 0.000 1.012 1268 L HN 0.263 nan 8.230 nan 0.000 0.468 1269 E N -1.433 118.784 120.200 0.027 0.000 2.603 1269 E HA 0.109 4.459 4.350 -0.000 0.000 0.224 1269 E C 0.635 177.253 176.600 0.029 0.000 0.896 1269 E CA -0.128 56.289 56.400 0.029 0.000 1.224 1269 E CB 0.565 30.284 29.700 0.031 0.000 1.206 1269 E HN 0.225 nan 8.360 nan 0.000 0.576 1270 N N 0.718 119.427 118.700 0.014 0.000 2.203 1270 N HA 0.216 4.956 4.740 -0.000 0.000 0.207 1270 N C -0.426 175.066 175.510 -0.030 0.000 1.130 1270 N CA 0.219 53.267 53.050 -0.004 0.000 0.861 1270 N CB 1.363 39.838 38.487 -0.019 0.000 1.005 1270 N HN 0.131 nan 8.380 nan 0.000 0.507 1271 I N 1.060 121.614 120.570 -0.027 0.000 2.406 1271 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 1271 I C -0.496 175.587 176.117 -0.057 0.000 0.999 1271 I CA -0.156 61.112 61.300 -0.052 0.000 1.124 1271 I CB 1.659 39.628 38.000 -0.051 0.000 1.289 1271 I HN -0.193 nan 8.210 nan 0.000 0.441 1272 T N 6.742 121.259 114.554 -0.062 0.000 2.918 1272 T HA 0.433 4.783 4.350 -0.000 0.000 0.286 1272 T C 0.441 175.079 174.700 -0.103 0.000 1.026 1272 T CA -0.487 61.549 62.100 -0.106 0.000 1.031 1272 T CB 2.388 71.245 68.868 -0.019 0.000 1.046 1272 T HN 0.290 nan 8.240 nan 0.000 0.479 1273 L N 0.792 121.935 121.223 -0.134 0.000 2.546 1273 L HA 0.475 4.815 4.340 -0.000 0.000 0.182 1273 L C 0.944 177.765 176.870 -0.082 0.000 1.167 1273 L CA 0.823 55.600 54.840 -0.104 0.000 0.845 1273 L CB -0.111 41.881 42.059 -0.112 0.000 1.134 1273 L HN 0.417 nan 8.230 nan 0.000 0.500 1274 R N -0.590 119.860 120.500 -0.084 0.000 2.483 1274 R HA 0.554 4.894 4.340 -0.000 0.000 0.303 1274 R C -0.910 175.374 176.300 -0.027 0.000 0.987 1274 R CA 0.189 56.258 56.100 -0.051 0.000 0.881 1274 R CB 1.235 31.503 30.300 -0.052 0.000 1.177 1274 R HN 0.365 nan 8.270 nan 0.000 0.451 1275 G N 0.999 109.806 108.800 0.012 0.000 2.369 1275 G HA2 0.105 4.065 3.960 -0.000 0.000 0.295 1275 G HA3 0.105 4.065 3.960 -0.000 0.000 0.295 1275 G C -1.844 173.121 174.900 0.109 0.000 1.298 1275 G CA -0.697 44.442 45.100 0.065 0.000 0.940 1275 G HN 0.395 nan 8.290 nan 0.000 0.536 1276 V N 0.391 120.379 119.914 0.123 0.000 2.656 1276 V HA 0.633 4.753 4.120 -0.000 0.000 0.307 1276 V C 0.616 176.717 176.094 0.011 0.000 1.051 1276 V CA -0.392 61.952 62.300 0.072 0.000 0.893 1276 V CB 1.430 33.269 31.823 0.027 0.000 0.999 1276 V HN 1.250 nan 8.190 nan 0.000 0.426 1277 E N 3.811 123.956 120.200 -0.092 0.000 2.485 1277 E HA -0.035 4.315 4.350 -0.000 0.000 0.266 1277 E C 0.501 176.949 176.600 -0.253 0.000 1.090 1277 E CA 0.423 56.627 56.400 -0.327 0.000 0.987 1277 E CB 0.072 29.645 29.700 -0.212 0.000 0.974 1277 E HN 0.671 nan 8.360 nan 0.000 0.455 1278 N N -0.230 118.279 118.700 -0.317 0.000 2.282 1278 N HA -0.261 4.479 4.740 -0.000 0.000 0.222 1278 N C 0.056 175.502 175.510 -0.107 0.000 0.937 1278 N CA 2.000 54.949 53.050 -0.169 0.000 2.775 1278 N CB -1.418 37.009 38.487 -0.100 0.000 0.817 1278 N HN 0.625 nan 8.380 nan 0.000 0.463 1279 I N 3.092 123.614 120.570 -0.081 0.000 2.574 1279 I HA -0.056 4.114 4.170 -0.000 0.000 0.291 1279 I C 1.373 177.504 176.117 0.024 0.000 1.131 1279 I CA 0.705 61.994 61.300 -0.017 0.000 1.352 1279 I CB 0.093 38.096 38.000 0.004 0.000 1.431 1279 I HN 0.191 nan 8.210 nan 0.000 0.543 1280 E N 6.235 126.448 120.200 0.022 0.000 3.363 1280 E HA 0.313 4.663 4.350 -0.000 0.000 0.481 1280 E C 0.239 176.860 176.600 0.035 0.000 0.318 1280 E CA -0.882 55.546 56.400 0.047 0.000 2.823 1280 E CB 0.298 30.015 29.700 0.029 0.000 2.283 1280 E HN 0.461 nan 8.360 nan 0.000 0.441 1281 R N 0.243 120.744 120.500 0.002 0.000 2.531 1281 R HA -0.031 4.309 4.340 -0.000 0.000 0.273 1281 R C -0.835 175.472 176.300 0.012 0.000 0.974 1281 R CA 0.311 56.391 56.100 -0.034 0.000 1.088 1281 R CB -0.092 30.165 30.300 -0.071 0.000 0.880 1281 R HN 0.114 nan 8.270 nan 0.000 0.426 1282 V N 2.547 122.488 119.914 0.044 0.000 2.697 1282 V HA 0.257 4.376 4.120 -0.000 0.000 0.300 1282 V C -0.391 175.793 176.094 0.150 0.000 1.115 1282 V CA -0.782 61.571 62.300 0.089 0.000 0.912 1282 V CB 2.031 33.914 31.823 0.101 0.000 1.024 1282 V HN 0.505 nan 8.190 nan 0.000 0.431 1283 V N 4.617 124.591 119.914 0.100 0.000 3.019 1283 V HA 0.625 4.745 4.120 -0.000 0.000 0.317 1283 V C -0.050 176.096 176.094 0.087 0.000 1.094 1283 V CA -0.820 61.554 62.300 0.124 0.000 1.000 1283 V CB 2.266 34.143 31.823 0.090 0.000 1.060 1283 V HN 0.800 nan 8.190 nan 0.000 0.443 1284 M N 2.758 122.429 119.600 0.118 0.000 2.598 1284 M HA 0.701 5.181 4.480 -0.000 0.000 0.317 1284 M C -1.024 175.374 176.300 0.163 0.000 1.201 1284 M CA -0.459 54.937 55.300 0.161 0.000 0.971 1284 M CB 1.909 34.650 32.600 0.236 0.000 1.657 1284 M HN 0.390 nan 8.290 nan 0.000 0.470 1285 M N 1.493 121.138 119.600 0.075 0.000 2.414 1285 M HA 0.297 4.777 4.480 -0.000 0.000 0.287 1285 M C -1.291 174.714 176.300 -0.491 0.000 1.181 1285 M CA -0.557 54.632 55.300 -0.185 0.000 0.933 1285 M CB 2.383 34.800 32.600 -0.304 0.000 1.732 1285 M HN 0.562 nan 8.290 nan 0.000 0.486 1286 K N 2.649 122.681 120.400 -0.613 0.000 2.231 1286 K HA 0.402 4.722 4.320 -0.000 0.000 0.255 1286 K C -1.007 175.474 176.600 -0.199 0.000 1.108 1286 K CA -0.040 55.792 56.287 -0.759 0.000 0.997 1286 K CB 0.379 32.287 32.500 -0.985 0.000 1.549 1286 K HN 0.555 nan 8.250 nan 0.000 0.419 1287 Y N 0.762 120.942 120.300 -0.200 0.000 2.281 1287 Y HA 0.030 4.580 4.550 -0.000 0.000 0.337 1287 Y C 0.685 176.548 175.900 -0.062 0.000 1.304 1287 Y CA -0.943 57.109 58.100 -0.080 0.000 1.465 1287 Y CB 0.815 39.278 38.460 0.006 0.000 1.350 1287 Y HN 0.365 nan 8.280 nan 0.000 0.575 1288 D N 2.142 122.619 120.400 0.129 0.000 2.373 1288 D HA 0.179 4.819 4.640 -0.000 0.000 0.227 1288 D C -0.594 175.754 176.300 0.080 0.000 1.091 1288 D CA -0.232 53.807 54.000 0.064 0.000 0.840 1288 D CB 1.213 42.027 40.800 0.024 0.000 1.060 1288 D HN 0.330 nan 8.370 nan 0.000 0.502 1289 R N 2.852 123.405 120.500 0.089 0.000 2.435 1289 R HA 0.212 4.552 4.340 -0.000 0.000 0.308 1289 R C -0.485 175.866 176.300 0.085 0.000 0.975 1289 R CA -0.667 55.488 56.100 0.093 0.000 0.867 1289 R CB 1.136 31.501 30.300 0.108 0.000 1.171 1289 R HN 0.179 nan 8.270 nan 0.000 0.470 1290 K N 2.428 122.894 120.400 0.109 0.000 2.270 1290 K HA 0.366 4.686 4.320 -0.000 0.000 0.276 1290 K C -0.699 176.002 176.600 0.168 0.000 1.023 1290 K CA -0.342 56.044 56.287 0.164 0.000 0.955 1290 K CB 1.665 34.302 32.500 0.229 0.000 0.975 1290 K HN 0.231 nan 8.250 nan 0.000 0.471 1291 V N 3.320 123.276 119.914 0.069 0.000 3.204 1291 V HA 0.187 4.307 4.120 -0.000 0.000 0.298 1291 V C -2.609 173.241 176.094 -0.407 0.000 1.328 1291 V CA -2.064 60.142 62.300 -0.157 0.000 1.035 1291 V CB 2.513 34.285 31.823 -0.084 0.000 1.095 1291 V HN 0.600 nan 8.190 nan 0.000 0.442 1292 P HA 0.097 nan 4.420 nan 0.000 0.258 1292 P C -0.194 176.956 177.300 -0.250 0.000 1.214 1292 P CA 0.714 63.510 63.100 -0.507 0.000 0.872 1292 P CB 0.233 31.694 31.700 -0.399 0.000 0.890 1293 S N 5.308 120.896 115.700 -0.187 0.000 2.580 1293 S HA 0.098 4.568 4.470 -0.000 0.000 0.266 1293 S C -0.687 173.861 174.600 -0.087 0.000 1.354 1293 S CA -1.174 56.969 58.200 -0.096 0.000 1.008 1293 S CB -0.100 63.069 63.200 -0.052 0.000 0.898 1293 S HN 0.332 nan 8.310 nan 0.000 0.555 1294 P HA -0.061 nan 4.420 nan 0.000 0.219 1294 P C 1.422 178.698 177.300 -0.040 0.000 1.150 1294 P CA 1.275 64.345 63.100 -0.049 0.000 0.814 1294 P CB -0.373 31.308 31.700 -0.033 0.000 0.787 1295 T N -2.424 112.113 114.554 -0.028 0.000 2.962 1295 T HA 0.109 4.459 4.350 -0.000 0.000 0.270 1295 T C 1.485 176.177 174.700 -0.014 0.000 1.088 1295 T CA 2.130 64.223 62.100 -0.012 0.000 1.127 1295 T CB -0.654 68.215 68.868 0.001 0.000 0.883 1295 T HN 0.321 nan 8.240 nan 0.000 0.493 1296 G N 0.316 109.094 108.800 -0.037 0.000 2.541 1296 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.201 1296 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.201 1296 G C -0.009 174.881 174.900 -0.018 0.000 1.026 1296 G CA -0.021 45.055 45.100 -0.040 0.000 0.687 1296 G HN 0.636 nan 8.290 nan 0.000 0.492 1297 E N -0.375 119.834 120.200 0.014 0.000 2.478 1297 E HA 0.345 4.695 4.350 -0.000 0.000 0.262 1297 E C -0.671 175.961 176.600 0.054 0.000 1.243 1297 E CA 0.184 56.624 56.400 0.066 0.000 1.039 1297 E CB 0.519 30.251 29.700 0.052 0.000 0.983 1297 E HN 0.341 nan 8.360 nan 0.000 0.479 1298 Y N -0.329 119.973 120.300 0.004 0.000 2.341 1298 Y HA 0.371 4.921 4.550 -0.000 0.000 0.338 1298 Y C -0.469 175.435 175.900 0.007 0.000 0.965 1298 Y CA -0.535 57.568 58.100 0.004 0.000 1.108 1298 Y CB 1.385 39.850 38.460 0.009 0.000 1.180 1298 Y HN 0.158 nan 8.280 nan 0.000 0.458 1299 V N 2.944 122.910 119.914 0.086 0.000 3.102 1299 V HA 0.388 4.508 4.120 -0.000 0.000 0.312 1299 V C -0.938 175.194 176.094 0.064 0.000 1.135 1299 V CA -1.904 60.438 62.300 0.069 0.000 1.022 1299 V CB 2.227 34.067 31.823 0.029 0.000 1.056 1299 V HN 0.530 nan 8.190 nan 0.000 0.436 1300 K N 1.902 122.334 120.400 0.054 0.000 2.167 1300 K HA 0.209 4.529 4.320 -0.000 0.000 0.275 1300 K C -0.058 176.561 176.600 0.032 0.000 1.103 1300 K CA 0.218 56.532 56.287 0.045 0.000 0.963 1300 K CB 0.348 32.869 32.500 0.036 0.000 1.243 1300 K HN 0.653 nan 8.250 nan 0.000 0.407 1301 E N 4.925 125.144 120.200 0.032 0.000 2.490 1301 E HA 0.111 4.461 4.350 -0.000 0.000 0.232 1301 E C -2.035 174.584 176.600 0.031 0.000 1.091 1301 E CA -2.307 54.108 56.400 0.026 0.000 1.050 1301 E CB 0.418 30.128 29.700 0.016 0.000 1.342 1301 E HN 0.335 nan 8.360 nan 0.000 0.454 1302 P HA -0.122 nan 4.420 nan 0.000 0.270 1302 P C -0.714 176.584 177.300 -0.003 0.000 1.216 1302 P CA 0.600 63.697 63.100 -0.004 0.000 0.788 1302 P CB 0.566 32.233 31.700 -0.055 0.000 0.883 1303 E N -0.925 119.254 120.200 -0.034 0.000 2.392 1303 E HA 0.442 4.792 4.350 -0.000 0.000 0.279 1303 E C -1.539 174.997 176.600 -0.107 0.000 0.964 1303 E CA -0.983 55.425 56.400 0.013 0.000 0.777 1303 E CB 0.514 30.285 29.700 0.119 0.000 1.249 1303 E HN 0.268 nan 8.360 nan 0.000 0.449 1304 W N 1.238 122.544 121.300 0.009 0.000 2.303 1304 W HA 0.574 5.234 4.660 -0.000 0.000 0.334 1304 W C -0.524 175.929 176.519 -0.110 0.000 1.197 1304 W CA -0.116 57.191 57.345 -0.063 0.000 1.262 1304 W CB 1.573 31.009 29.460 -0.039 0.000 1.153 1304 W HN 0.334 nan 8.180 nan 0.000 0.596 1305 V N 3.111 123.019 119.914 -0.010 0.000 3.120 1305 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 1305 V C -0.536 175.463 176.094 -0.158 0.000 1.238 1305 V CA -1.323 60.876 62.300 -0.168 0.000 1.008 1305 V CB 1.775 33.316 31.823 -0.470 0.000 1.064 1305 V HN 0.301 nan 8.190 nan 0.000 0.434 1306 L N 2.162 123.312 121.223 -0.123 0.000 2.322 1306 L HA 0.650 4.990 4.340 -0.000 0.000 0.279 1306 L C -0.075 176.746 176.870 -0.082 0.000 1.036 1306 L CA -0.420 54.381 54.840 -0.065 0.000 0.807 1306 L CB 1.455 43.501 42.059 -0.022 0.000 1.226 1306 L HN 0.625 nan 8.230 nan 0.000 0.433 1307 E N 1.134 121.316 120.200 -0.030 0.000 2.187 1307 E HA 0.310 4.660 4.350 -0.000 0.000 0.268 1307 E C -0.677 175.932 176.600 0.015 0.000 0.896 1307 E CA -0.378 56.022 56.400 -0.001 0.000 0.766 1307 E CB 2.746 32.466 29.700 0.033 0.000 1.142 1307 E HN 0.524 nan 8.360 nan 0.000 0.408 1308 T N 0.605 115.167 114.554 0.013 0.000 2.914 1308 T HA 0.128 4.478 4.350 -0.000 0.000 0.313 1308 T C -0.136 174.572 174.700 0.014 0.000 1.137 1308 T CA -0.002 62.106 62.100 0.014 0.000 0.946 1308 T CB 0.384 69.257 68.868 0.007 0.000 1.558 1308 T HN 0.440 nan 8.240 nan 0.000 0.565 1309 D N -0.563 119.842 120.400 0.008 0.000 3.486 1309 D HA 0.282 4.922 4.640 -0.000 0.000 0.294 1309 D C -0.316 175.983 176.300 -0.001 0.000 1.593 1309 D CA 0.002 54.005 54.000 0.004 0.000 0.776 1309 D CB 0.116 40.917 40.800 0.001 0.000 1.353 1309 D HN 0.750 nan 8.370 nan 0.000 0.608 1310 G N -0.672 108.125 108.800 -0.004 0.000 2.506 1310 G HA2 0.479 4.439 3.960 -0.000 0.000 0.292 1310 G HA3 0.479 4.439 3.960 -0.000 0.000 0.292 1310 G C -1.763 173.129 174.900 -0.014 0.000 1.425 1310 G CA -0.360 44.732 45.100 -0.013 0.000 0.788 1310 G HN -0.039 nan 8.290 nan 0.000 0.490 1311 V N 1.683 121.585 119.914 -0.020 0.000 2.509 1311 V HA 0.528 4.648 4.120 -0.000 0.000 0.289 1311 V C -0.844 175.237 176.094 -0.021 0.000 1.026 1311 V CA -0.926 61.363 62.300 -0.019 0.000 0.872 1311 V CB 1.650 33.463 31.823 -0.016 0.000 1.017 1311 V HN 0.737 nan 8.190 nan 0.000 0.436 1312 N N 4.289 122.978 118.700 -0.018 0.000 2.725 1312 N HA 0.175 4.915 4.740 -0.000 0.000 0.248 1312 N C 0.414 175.920 175.510 -0.006 0.000 1.402 1312 N CA -0.364 52.676 53.050 -0.017 0.000 0.766 1312 N CB 1.633 40.105 38.487 -0.025 0.000 1.223 1312 N HN 0.549 nan 8.380 nan 0.000 0.515 1313 L N 2.957 124.179 121.223 -0.003 0.000 1.955 1313 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 1313 L C 2.245 179.123 176.870 0.013 0.000 1.072 1313 L CA 2.420 57.265 54.840 0.008 0.000 0.755 1313 L CB -1.095 40.970 42.059 0.009 0.000 0.888 1313 L HN 0.585 nan 8.230 nan 0.000 0.432 1314 S N -1.575 114.131 115.700 0.010 0.000 2.478 1314 S HA -0.263 4.207 4.470 -0.000 0.000 0.256 1314 S C 1.450 176.056 174.600 0.011 0.000 1.003 1314 S CA 1.833 60.039 58.200 0.011 0.000 0.976 1314 S CB -0.669 62.534 63.200 0.006 0.000 0.751 1314 S HN 0.769 nan 8.310 nan 0.000 0.513 1315 E N -0.185 120.021 120.200 0.010 0.000 2.444 1315 E HA 0.136 4.486 4.350 -0.000 0.000 0.203 1315 E C 1.770 178.379 176.600 0.016 0.000 0.847 1315 E CA 0.570 56.976 56.400 0.010 0.000 1.142 1315 E CB 0.062 29.765 29.700 0.005 0.000 1.125 1315 E HN 0.358 nan 8.360 nan 0.000 0.521 1316 V N 2.190 122.114 119.914 0.016 0.000 2.688 1316 V HA -0.240 3.880 4.120 -0.000 0.000 0.256 1316 V C 2.321 178.434 176.094 0.031 0.000 1.084 1316 V CA 1.442 63.755 62.300 0.022 0.000 1.103 1316 V CB -0.498 31.337 31.823 0.021 0.000 0.688 1316 V HN 0.303 nan 8.190 nan 0.000 0.480 1317 M N 1.080 120.700 119.600 0.032 0.000 2.156 1317 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 1317 M C 2.042 178.364 176.300 0.037 0.000 1.067 1317 M CA 2.109 57.433 55.300 0.041 0.000 1.131 1317 M CB -0.243 32.382 32.600 0.041 0.000 1.368 1317 M HN 0.572 nan 8.290 nan 0.000 0.416 1318 T N -0.851 113.720 114.554 0.028 0.000 3.509 1318 T HA 0.226 4.576 4.350 -0.000 0.000 0.250 1318 T C 0.004 174.717 174.700 0.022 0.000 1.076 1318 T CA -0.379 61.735 62.100 0.024 0.000 0.966 1318 T CB -1.018 67.861 68.868 0.018 0.000 1.046 1318 T HN 0.056 nan 8.240 nan 0.000 0.591 1319 V N 3.309 123.238 119.914 0.026 0.000 2.612 1319 V HA 0.500 4.620 4.120 -0.000 0.000 0.301 1319 V C -1.990 174.118 176.094 0.023 0.000 1.046 1319 V CA -2.221 60.092 62.300 0.021 0.000 0.946 1319 V CB 1.826 33.661 31.823 0.020 0.000 1.003 1319 V HN 0.402 nan 8.190 nan 0.000 0.459 1320 P HA 0.361 nan 4.420 nan 0.000 0.281 1320 P C 0.516 177.821 177.300 0.008 0.000 1.252 1320 P CA 0.562 63.669 63.100 0.013 0.000 0.778 1320 P CB 1.350 33.051 31.700 0.001 0.000 0.895 1321 G N 2.970 111.784 108.800 0.022 0.000 2.316 1321 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.203 1321 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.203 1321 G C 0.106 175.045 174.900 0.065 0.000 0.999 1321 G CA 0.106 45.219 45.100 0.021 0.000 0.649 1321 G HN 0.683 nan 8.290 nan 0.000 0.489 1322 I N -1.642 118.970 120.570 0.070 0.000 2.822 1322 I HA 0.750 4.920 4.170 -0.000 0.000 0.312 1322 I C -0.796 175.385 176.117 0.107 0.000 1.011 1322 I CA -1.118 60.241 61.300 0.098 0.000 1.105 1322 I CB 1.800 39.853 38.000 0.088 0.000 1.291 1322 I HN -0.087 nan 8.210 nan 0.000 0.474 1323 D N 4.953 125.434 120.400 0.135 0.000 2.479 1323 D HA 0.244 4.884 4.640 -0.000 0.000 0.218 1323 D C -1.867 174.501 176.300 0.114 0.000 1.131 1323 D CA -1.867 52.201 54.000 0.114 0.000 0.916 1323 D CB 0.996 41.865 40.800 0.115 0.000 1.022 1323 D HN 0.394 nan 8.370 nan 0.000 0.515 1324 P HA 0.024 nan 4.420 nan 0.000 0.279 1324 P C 0.563 177.906 177.300 0.072 0.000 1.451 1324 P CA 0.202 63.351 63.100 0.081 0.000 0.783 1324 P CB 0.353 32.090 31.700 0.061 0.000 1.490 1325 T N -0.879 113.717 114.554 0.070 0.000 2.964 1325 T HA 0.186 4.536 4.350 -0.000 0.000 0.250 1325 T C 1.512 176.241 174.700 0.048 0.000 0.982 1325 T CA 0.208 62.335 62.100 0.045 0.000 0.959 1325 T CB 0.331 69.208 68.868 0.015 0.000 1.141 1325 T HN 0.186 nan 8.240 nan 0.000 0.494 1326 R N 0.410 120.952 120.500 0.070 0.000 2.437 1326 R HA 0.433 4.773 4.340 -0.000 0.000 0.257 1326 R C 0.566 177.047 176.300 0.302 0.000 0.927 1326 R CA -0.206 55.922 56.100 0.047 0.000 1.078 1326 R CB 0.611 30.777 30.300 -0.223 0.000 1.161 1326 R HN 0.318 nan 8.270 nan 0.000 0.529 1327 I N 1.612 122.364 120.570 0.302 0.000 2.752 1327 I HA -0.134 4.035 4.170 -0.000 0.000 0.289 1327 I C -0.968 175.362 176.117 0.355 0.000 1.197 1327 I CA 0.546 62.038 61.300 0.320 0.000 1.432 1327 I CB 0.256 38.368 38.000 0.187 0.000 1.359 1327 I HN 0.042 nan 8.210 nan 0.000 0.571 1328 Y N 6.084 126.501 120.300 0.196 0.000 2.433 1328 Y HA 0.409 4.959 4.550 -0.000 0.000 0.337 1328 Y C -0.853 175.117 175.900 0.116 0.000 1.026 1328 Y CA -0.573 57.624 58.100 0.161 0.000 1.037 1328 Y CB 1.763 40.346 38.460 0.204 0.000 1.245 1328 Y HN 0.515 nan 8.280 nan 0.000 0.443 1329 T N 4.999 119.182 114.554 -0.619 0.000 2.885 1329 T HA 0.173 4.523 4.350 -0.000 0.000 0.285 1329 T C 0.647 174.864 174.700 -0.805 0.000 1.019 1329 T CA -0.648 61.162 62.100 -0.483 0.000 1.010 1329 T CB 0.943 69.690 68.868 -0.202 0.000 1.022 1329 T HN 0.756 nan 8.240 nan 0.000 0.466 1330 N N 0.616 119.063 118.700 -0.420 0.000 2.446 1330 N HA -0.020 4.720 4.740 -0.000 0.000 0.179 1330 N C 0.811 176.291 175.510 -0.050 0.000 1.054 1330 N CA 0.071 52.965 53.050 -0.260 0.000 0.905 1330 N CB 0.161 38.612 38.487 -0.059 0.000 0.973 1330 N HN 0.333 nan 8.380 nan 0.000 0.448 1331 S N 0.787 116.492 115.700 0.008 0.000 3.065 1331 S HA 0.114 4.584 4.470 -0.000 0.000 0.311 1331 S C 0.794 175.560 174.600 0.275 0.000 1.204 1331 S CA -0.914 57.406 58.200 0.200 0.000 1.040 1331 S CB -1.193 62.058 63.200 0.085 0.000 1.436 1331 S HN 0.390 nan 8.310 nan 0.000 0.532 1332 F N 2.914 122.848 119.950 -0.026 0.000 2.202 1332 F HA -0.076 4.451 4.527 -0.000 0.000 0.301 1332 F C 1.828 177.637 175.800 0.016 0.000 1.082 1332 F CA 0.124 58.132 58.000 0.013 0.000 1.313 1332 F CB -0.419 38.616 39.000 0.058 0.000 1.024 1332 F HN 0.423 nan 8.300 nan 0.000 0.495 1333 I N 2.037 122.414 120.570 -0.322 0.000 2.151 1333 I HA -0.299 3.870 4.170 -0.000 0.000 0.243 1333 I C 2.130 178.182 176.117 -0.109 0.000 1.080 1333 I CA 1.894 62.992 61.300 -0.336 0.000 1.339 1333 I CB -0.854 36.963 38.000 -0.305 0.000 1.039 1333 I HN 0.285 nan 8.210 nan 0.000 0.409 1334 D N 0.520 120.895 120.400 -0.040 0.000 2.075 1334 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 1334 D C 2.177 178.485 176.300 0.013 0.000 0.985 1334 D CA 1.070 55.062 54.000 -0.013 0.000 0.834 1334 D CB -0.257 40.539 40.800 -0.007 0.000 0.987 1334 D HN 0.302 nan 8.370 nan 0.000 0.452 1335 I N 1.250 121.844 120.570 0.040 0.000 2.707 1335 I HA -0.245 3.925 4.170 -0.000 0.000 0.266 1335 I C 2.215 178.379 176.117 0.079 0.000 1.215 1335 I CA 0.661 62.003 61.300 0.069 0.000 1.442 1335 I CB -0.128 37.934 38.000 0.103 0.000 1.108 1335 I HN 0.110 nan 8.210 nan 0.000 0.464 1336 M N -0.089 119.543 119.600 0.053 0.000 2.567 1336 M HA -0.022 4.458 4.480 -0.000 0.000 0.261 1336 M C 1.694 178.007 176.300 0.022 0.000 1.180 1336 M CA 1.269 56.596 55.300 0.044 0.000 1.143 1336 M CB 0.046 32.660 32.600 0.025 0.000 1.319 1336 M HN 0.141 nan 8.290 nan 0.000 0.490 1337 E N -0.215 119.988 120.200 0.006 0.000 2.216 1337 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 1337 E C 1.863 178.470 176.600 0.011 0.000 0.988 1337 E CA 0.886 57.287 56.400 0.001 0.000 0.834 1337 E CB 0.406 30.099 29.700 -0.011 0.000 0.772 1337 E HN 0.358 nan 8.360 nan 0.000 0.479 1338 V N 0.691 120.617 119.914 0.019 0.000 2.502 1338 V HA -0.085 4.035 4.120 -0.000 0.000 0.234 1338 V C 2.145 178.259 176.094 0.033 0.000 1.072 1338 V CA 0.605 62.919 62.300 0.024 0.000 1.094 1338 V CB -0.400 31.438 31.823 0.026 0.000 0.761 1338 V HN 0.164 nan 8.190 nan 0.000 0.489 1339 L N 0.613 121.863 121.223 0.045 0.000 2.141 1339 L HA 0.253 4.593 4.340 -0.000 0.000 0.209 1339 L C 1.080 177.979 176.870 0.048 0.000 1.094 1339 L CA 1.271 56.142 54.840 0.052 0.000 0.763 1339 L CB -0.614 41.490 42.059 0.074 0.000 0.908 1339 L HN 0.658 nan 8.230 nan 0.000 0.437 1340 G N -0.528 108.300 108.800 0.047 0.000 3.367 1340 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 1340 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 1340 G C 0.321 175.253 174.900 0.053 0.000 1.146 1340 G CA -0.202 44.925 45.100 0.043 0.000 0.913 1340 G HN 0.103 nan 8.290 nan 0.000 0.554 1341 I N 0.492 121.092 120.570 0.050 0.000 3.052 1341 I HA -0.387 3.783 4.170 -0.000 0.000 0.209 1341 I C 2.513 178.673 176.117 0.071 0.000 0.835 1341 I CA 2.744 64.079 61.300 0.058 0.000 1.156 1341 I CB 0.088 38.118 38.000 0.049 0.000 0.899 1341 I HN 0.786 nan 8.210 nan 0.000 0.353 1342 E N 0.450 120.686 120.200 0.060 0.000 2.097 1342 E HA -0.273 4.076 4.350 -0.000 0.000 0.196 1342 E C 2.069 178.710 176.600 0.067 0.000 1.000 1342 E CA 1.704 58.139 56.400 0.059 0.000 0.804 1342 E CB -0.371 29.356 29.700 0.045 0.000 0.740 1342 E HN 0.753 nan 8.360 nan 0.000 0.454 1343 A N 0.616 123.480 122.820 0.072 0.000 1.929 1343 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 1343 A C 2.470 180.132 177.584 0.130 0.000 1.176 1343 A CA 1.710 53.801 52.037 0.090 0.000 0.628 1343 A CB -0.924 18.129 19.000 0.088 0.000 0.816 1343 A HN 0.337 nan 8.150 nan 0.000 0.444 1344 G N -0.296 108.582 108.800 0.130 0.000 2.491 1344 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 1344 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 1344 G C 1.737 176.759 174.900 0.204 0.000 1.180 1344 G CA 1.129 46.333 45.100 0.173 0.000 0.774 1344 G HN 0.532 nan 8.290 nan 0.000 0.562 1345 R N 0.615 121.209 120.500 0.157 0.000 2.115 1345 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 1345 R C 2.902 179.309 176.300 0.178 0.000 1.133 1345 R CA 1.956 58.150 56.100 0.157 0.000 0.935 1345 R CB -0.688 29.674 30.300 0.104 0.000 0.853 1345 R HN 0.297 nan 8.270 nan 0.000 0.433 1346 A N 0.184 123.088 122.820 0.140 0.000 2.009 1346 A HA -0.236 4.084 4.320 -0.000 0.000 0.222 1346 A C 2.244 179.955 177.584 0.211 0.000 1.175 1346 A CA 2.183 54.301 52.037 0.135 0.000 0.651 1346 A CB -0.647 18.405 19.000 0.085 0.000 0.815 1346 A HN 0.640 nan 8.150 nan 0.000 0.459 1347 A N -0.748 122.221 122.820 0.248 0.000 1.850 1347 A HA 0.189 4.509 4.320 -0.000 0.000 0.212 1347 A C 2.050 179.752 177.584 0.197 0.000 1.208 1347 A CA 1.314 53.538 52.037 0.312 0.000 0.609 1347 A CB -0.752 18.476 19.000 0.381 0.000 0.860 1347 A HN 0.863 nan 8.150 nan 0.000 0.448 1348 L N -0.865 120.479 121.223 0.201 0.000 2.021 1348 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 1348 L C 2.240 179.126 176.870 0.026 0.000 1.074 1348 L CA 2.876 57.757 54.840 0.068 0.000 0.760 1348 L CB -1.248 40.993 42.059 0.303 0.000 0.889 1348 L HN 0.551 nan 8.230 nan 0.000 0.433 1349 Y N 0.552 120.869 120.300 0.027 0.000 2.036 1349 Y HA -0.322 4.228 4.550 -0.000 0.000 0.273 1349 Y C 2.816 178.742 175.900 0.044 0.000 1.135 1349 Y CA 2.623 60.729 58.100 0.009 0.000 1.106 1349 Y CB -0.558 37.888 38.460 -0.024 0.000 0.976 1349 Y HN 0.270 nan 8.280 nan 0.000 0.483 1350 K N -0.138 120.398 120.400 0.227 0.000 2.097 1350 K HA -0.369 3.951 4.320 -0.000 0.000 0.214 1350 K C 2.091 178.710 176.600 0.031 0.000 1.052 1350 K CA 2.293 58.656 56.287 0.127 0.000 0.932 1350 K CB -0.321 32.247 32.500 0.115 0.000 0.716 1350 K HN 0.391 nan 8.250 nan 0.000 0.455 1351 E N 0.144 120.342 120.200 -0.002 0.000 2.017 1351 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 1351 E C 1.879 178.408 176.600 -0.119 0.000 0.997 1351 E CA 1.581 57.943 56.400 -0.064 0.000 0.804 1351 E CB -0.255 29.304 29.700 -0.236 0.000 0.757 1351 E HN 0.156 nan 8.360 nan 0.000 0.448 1352 V N 0.687 120.489 119.914 -0.186 0.000 2.317 1352 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 1352 V C 2.221 178.199 176.094 -0.193 0.000 1.065 1352 V CA 2.251 64.441 62.300 -0.184 0.000 1.049 1352 V CB -0.825 30.885 31.823 -0.188 0.000 0.651 1352 V HN 0.438 nan 8.190 nan 0.000 0.450 1353 Y N 1.502 121.560 120.300 -0.404 0.000 2.207 1353 Y HA -0.230 4.319 4.550 -0.000 0.000 0.287 1353 Y C 2.433 178.246 175.900 -0.145 0.000 1.156 1353 Y CA 2.023 59.924 58.100 -0.331 0.000 1.182 1353 Y CB -0.402 37.799 38.460 -0.433 0.000 0.979 1353 Y HN 0.273 nan 8.280 nan 0.000 0.521 1354 N N -0.080 118.560 118.700 -0.101 0.000 2.453 1354 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 1354 N C 1.603 177.011 175.510 -0.170 0.000 1.041 1354 N CA 1.321 54.293 53.050 -0.130 0.000 0.900 1354 N CB 0.115 38.616 38.487 0.024 0.000 0.961 1354 N HN 0.324 nan 8.380 nan 0.000 0.443 1355 V N 0.818 120.635 119.914 -0.161 0.000 3.129 1355 V HA 0.001 4.121 4.120 -0.000 0.000 0.259 1355 V C 1.907 177.914 176.094 -0.145 0.000 1.116 1355 V CA 0.838 63.062 62.300 -0.126 0.000 1.127 1355 V CB -0.053 31.709 31.823 -0.102 0.000 0.742 1355 V HN 0.223 nan 8.190 nan 0.000 0.474 1356 I N -0.035 120.407 120.570 -0.212 0.000 3.708 1356 I HA 0.142 4.312 4.170 -0.000 0.000 0.302 1356 I C 2.351 178.338 176.117 -0.217 0.000 1.255 1356 I CA 0.870 62.060 61.300 -0.184 0.000 1.362 1356 I CB -0.112 37.792 38.000 -0.160 0.000 1.100 1356 I HN 0.224 nan 8.210 nan 0.000 0.434 1357 A N 0.871 123.478 122.820 -0.355 0.000 2.030 1357 A HA -0.072 4.247 4.320 -0.000 0.000 0.215 1357 A C 2.351 179.834 177.584 -0.168 0.000 1.164 1357 A CA 1.141 52.985 52.037 -0.322 0.000 0.697 1357 A CB -0.436 18.223 19.000 -0.569 0.000 0.827 1357 A HN 0.424 nan 8.150 nan 0.000 0.457 1358 S N -0.418 115.194 115.700 -0.145 0.000 2.500 1358 S HA -0.110 4.360 4.470 -0.000 0.000 0.239 1358 S C 1.001 175.564 174.600 -0.062 0.000 0.989 1358 S CA 1.265 59.415 58.200 -0.084 0.000 0.951 1358 S CB -0.207 62.950 63.200 -0.070 0.000 0.759 1358 S HN 0.529 nan 8.310 nan 0.000 0.523 1359 D N 0.737 121.096 120.400 -0.069 0.000 2.363 1359 D HA 0.236 4.876 4.640 -0.000 0.000 0.214 1359 D C 1.250 177.529 176.300 -0.035 0.000 1.093 1359 D CA 0.547 54.519 54.000 -0.047 0.000 0.837 1359 D CB 0.386 41.157 40.800 -0.048 0.000 0.948 1359 D HN 0.560 nan 8.370 nan 0.000 0.507 1360 G N 1.198 109.973 108.800 -0.041 0.000 2.168 1360 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 1360 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 1360 G C 0.357 175.256 174.900 -0.001 0.000 0.997 1360 G CA 0.559 45.646 45.100 -0.022 0.000 0.708 1360 G HN 0.296 nan 8.290 nan 0.000 0.520 1361 S N -0.669 115.027 115.700 -0.006 0.000 2.617 1361 S HA 0.675 5.145 4.470 -0.000 0.000 0.283 1361 S C -0.681 173.977 174.600 0.097 0.000 1.189 1361 S CA -0.546 57.672 58.200 0.030 0.000 1.036 1361 S CB 1.789 64.987 63.200 -0.002 0.000 1.014 1361 S HN 0.686 nan 8.310 nan 0.000 0.522 1362 Y N 1.744 122.034 120.300 -0.018 0.000 2.376 1362 Y HA 0.678 5.228 4.550 -0.000 0.000 0.340 1362 Y C -1.340 174.593 175.900 0.056 0.000 0.965 1362 Y CA -1.502 56.608 58.100 0.016 0.000 1.078 1362 Y CB 0.795 39.274 38.460 0.032 0.000 1.193 1362 Y HN 0.360 nan 8.280 nan 0.000 0.452 1363 V N 6.723 126.721 119.914 0.140 0.000 2.531 1363 V HA 0.265 4.385 4.120 -0.000 0.000 0.301 1363 V C -0.371 175.755 176.094 0.055 0.000 1.034 1363 V CA -1.264 61.014 62.300 -0.037 0.000 0.865 1363 V CB 1.766 33.656 31.823 0.113 0.000 0.995 1363 V HN 0.867 nan 8.190 nan 0.000 0.424 1364 N N 3.360 121.992 118.700 -0.114 0.000 2.438 1364 N HA 0.033 4.773 4.740 -0.000 0.000 0.267 1364 N C 1.003 176.590 175.510 0.129 0.000 1.222 1364 N CA -0.061 53.021 53.050 0.053 0.000 0.930 1364 N CB 0.321 38.750 38.487 -0.097 0.000 1.083 1364 N HN 0.722 nan 8.380 nan 0.000 0.476 1365 Y N 5.174 125.602 120.300 0.214 0.000 1.807 1365 Y HA -0.539 4.011 4.550 -0.000 0.000 0.160 1365 Y C 2.113 178.052 175.900 0.064 0.000 1.054 1365 Y CA 3.138 61.366 58.100 0.213 0.000 0.792 1365 Y CB -0.451 38.076 38.460 0.111 0.000 0.659 1365 Y HN 0.709 nan 8.280 nan 0.000 0.624 1366 R N -1.602 118.998 120.500 0.167 0.000 2.386 1366 R HA -0.362 3.978 4.340 -0.000 0.000 0.252 1366 R C 1.752 178.014 176.300 -0.063 0.000 1.058 1366 R CA 2.236 58.280 56.100 -0.093 0.000 0.938 1366 R CB -1.647 28.431 30.300 -0.370 0.000 0.931 1366 R HN 0.618 nan 8.270 nan 0.000 0.455 1367 H N 0.693 119.824 119.070 0.102 0.000 2.261 1367 H HA 0.043 4.599 4.556 -0.000 0.000 0.301 1367 H C 2.377 177.729 175.328 0.041 0.000 1.067 1367 H CA 1.883 57.980 56.048 0.082 0.000 1.297 1367 H CB -0.525 29.276 29.762 0.065 0.000 1.377 1367 H HN 0.266 nan 8.280 nan 0.000 0.492 1368 M N 0.489 120.197 119.600 0.180 0.000 2.213 1368 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 1368 M C 2.642 179.002 176.300 0.100 0.000 1.062 1368 M CA 1.261 56.622 55.300 0.102 0.000 1.105 1368 M CB -0.236 32.395 32.600 0.051 0.000 1.385 1368 M HN 0.243 nan 8.290 nan 0.000 0.417 1369 A N 1.104 123.915 122.820 -0.015 0.000 1.828 1369 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 1369 A C 2.089 179.645 177.584 -0.046 0.000 1.203 1369 A CA 1.680 53.584 52.037 -0.221 0.000 0.614 1369 A CB -1.109 17.509 19.000 -0.636 0.000 0.844 1369 A HN 0.411 nan 8.150 nan 0.000 0.445 1370 L N -0.329 120.899 121.223 0.009 0.000 1.987 1370 L HA -0.258 4.081 4.340 -0.000 0.000 0.230 1370 L C 2.379 179.270 176.870 0.034 0.000 1.089 1370 L CA 2.792 57.666 54.840 0.056 0.000 0.802 1370 L CB -1.028 41.111 42.059 0.133 0.000 0.905 1370 L HN 0.492 nan 8.230 nan 0.000 0.441 1371 L N -1.039 120.206 121.223 0.035 0.000 2.010 1371 L HA -0.235 4.105 4.340 -0.000 0.000 0.219 1371 L C 2.484 179.369 176.870 0.026 0.000 1.077 1371 L CA 2.310 57.155 54.840 0.009 0.000 0.773 1371 L CB -1.109 40.951 42.059 0.002 0.000 0.892 1371 L HN 0.193 nan 8.230 nan 0.000 0.436 1372 V N 0.219 120.165 119.914 0.053 0.000 2.380 1372 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 1372 V C 2.231 178.366 176.094 0.069 0.000 1.063 1372 V CA 2.380 64.731 62.300 0.085 0.000 1.055 1372 V CB -0.673 31.235 31.823 0.141 0.000 0.657 1372 V HN 0.645 nan 8.190 nan 0.000 0.455 1373 D N -0.442 119.983 120.400 0.041 0.000 2.103 1373 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 1373 D C 2.157 178.472 176.300 0.025 0.000 0.978 1373 D CA 1.726 55.744 54.000 0.030 0.000 0.829 1373 D CB -0.278 40.531 40.800 0.014 0.000 0.981 1373 D HN 0.433 nan 8.370 nan 0.000 0.464 1374 V N 1.650 121.571 119.914 0.011 0.000 2.324 1374 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 1374 V C 2.479 178.587 176.094 0.022 0.000 1.060 1374 V CA 1.462 63.761 62.300 -0.002 0.000 1.042 1374 V CB -0.638 31.161 31.823 -0.040 0.000 0.650 1374 V HN 0.188 nan 8.190 nan 0.000 0.450 1375 M N -0.489 119.133 119.600 0.037 0.000 2.700 1375 M HA -0.070 4.410 4.480 -0.000 0.000 0.249 1375 M C 1.893 178.240 176.300 0.078 0.000 1.082 1375 M CA 1.556 56.897 55.300 0.069 0.000 1.077 1375 M CB -0.213 32.442 32.600 0.092 0.000 1.477 1375 M HN 0.507 nan 8.290 nan 0.000 0.529 1376 T N -1.364 113.229 114.554 0.065 0.000 2.980 1376 T HA 0.003 4.353 4.350 -0.000 0.000 0.252 1376 T C 1.674 176.405 174.700 0.052 0.000 0.962 1376 T CA 0.924 63.063 62.100 0.066 0.000 0.932 1376 T CB -0.128 68.787 68.868 0.078 0.000 1.188 1376 T HN 0.470 nan 8.240 nan 0.000 0.500 1377 T N 1.342 115.920 114.554 0.040 0.000 2.428 1377 T HA -0.294 4.056 4.350 -0.000 0.000 0.248 1377 T C 1.826 176.549 174.700 0.039 0.000 1.284 1377 T CA 1.791 63.910 62.100 0.032 0.000 1.217 1377 T CB -1.196 67.677 68.868 0.008 0.000 0.864 1377 T HN 0.428 nan 8.240 nan 0.000 0.402 1378 Q N 1.187 121.009 119.800 0.038 0.000 2.266 1378 Q HA -0.320 4.020 4.340 -0.000 0.000 0.222 1378 Q C 2.048 178.073 176.000 0.042 0.000 1.078 1378 Q CA 2.602 58.431 55.803 0.043 0.000 0.964 1378 Q CB -0.915 27.855 28.738 0.052 0.000 1.094 1378 Q HN 0.920 nan 8.270 nan 0.000 0.465 1379 G N -3.264 105.561 108.800 0.043 0.000 4.309 1379 G HA2 0.163 4.123 3.960 -0.000 0.000 0.201 1379 G HA3 0.163 4.123 3.960 -0.000 0.000 0.201 1379 G C 0.343 175.265 174.900 0.036 0.000 1.024 1379 G CA 0.477 45.600 45.100 0.038 0.000 1.007 1379 G HN 0.602 nan 8.290 nan 0.000 0.348 1380 G N -0.201 108.619 108.800 0.033 0.000 2.890 1380 G HA2 0.527 4.487 3.960 -0.000 0.000 0.199 1380 G HA3 0.527 4.487 3.960 -0.000 0.000 0.199 1380 G C -0.898 174.018 174.900 0.028 0.000 1.729 1380 G CA -0.303 44.811 45.100 0.025 0.000 0.767 1380 G HN 0.406 nan 8.290 nan 0.000 0.804 1381 L N 2.241 123.470 121.223 0.010 0.000 2.337 1381 L HA 0.406 4.746 4.340 -0.000 0.000 0.269 1381 L C -0.656 176.235 176.870 0.035 0.000 1.018 1381 L CA -0.368 54.480 54.840 0.013 0.000 0.876 1381 L CB 1.825 43.848 42.059 -0.061 0.000 1.236 1381 L HN 0.213 nan 8.230 nan 0.000 0.436 1382 T N 1.152 115.747 114.554 0.068 0.000 2.728 1382 T HA 0.194 4.544 4.350 -0.000 0.000 0.296 1382 T C 0.467 175.245 174.700 0.131 0.000 0.940 1382 T CA -0.458 61.700 62.100 0.097 0.000 1.013 1382 T CB 0.843 69.777 68.868 0.111 0.000 0.912 1382 T HN 0.613 nan 8.240 nan 0.000 0.484 1383 S N 2.255 118.039 115.700 0.139 0.000 2.576 1383 S HA 0.177 4.647 4.470 -0.000 0.000 0.276 1383 S C 0.619 175.383 174.600 0.274 0.000 1.339 1383 S CA -0.947 57.356 58.200 0.172 0.000 1.039 1383 S CB 0.539 63.830 63.200 0.151 0.000 0.902 1383 S HN 0.440 nan 8.310 nan 0.000 0.516 1384 V N 3.407 123.481 119.914 0.268 0.000 1.984 1384 V HA 0.263 4.383 4.120 -0.000 0.000 0.272 1384 V C 0.196 176.559 176.094 0.448 0.000 1.706 1384 V CA 0.029 62.566 62.300 0.396 0.000 1.644 1384 V CB -1.815 30.088 31.823 0.134 0.000 1.509 1384 V HN 1.033 nan 8.190 nan 0.000 0.511 1385 T N 0.226 114.999 114.554 0.366 0.000 2.840 1385 T HA 0.267 4.617 4.350 -0.000 0.000 0.317 1385 T C 0.945 175.571 174.700 -0.123 0.000 1.401 1385 T CA -0.794 61.410 62.100 0.174 0.000 1.028 1385 T CB 2.081 71.049 68.868 0.167 0.000 1.317 1385 T HN 0.376 nan 8.240 nan 0.000 0.495 1386 R N 0.487 120.837 120.500 -0.250 0.000 2.228 1386 R HA -0.249 4.091 4.340 -0.000 0.000 0.259 1386 R C 0.952 177.005 176.300 -0.413 0.000 1.183 1386 R CA 1.998 57.777 56.100 -0.534 0.000 1.002 1386 R CB -0.321 29.591 30.300 -0.646 0.000 0.879 1386 R HN 0.634 nan 8.270 nan 0.000 0.467 1387 H N -1.502 117.495 119.070 -0.121 0.000 2.539 1387 H HA 0.190 4.746 4.556 -0.000 0.000 0.267 1387 H C 1.171 176.465 175.328 -0.057 0.000 0.982 1387 H CA 0.892 56.894 56.048 -0.077 0.000 1.146 1387 H CB 0.784 30.527 29.762 -0.032 0.000 1.382 1387 H HN 0.494 nan 8.280 nan 0.000 0.577 1388 G N 0.258 109.069 108.800 0.017 0.000 2.844 1388 G HA2 0.017 3.977 3.960 -0.000 0.000 0.204 1388 G HA3 0.017 3.977 3.960 -0.000 0.000 0.204 1388 G C 0.829 175.741 174.900 0.020 0.000 1.815 1388 G CA 0.061 45.193 45.100 0.053 0.000 0.739 1388 G HN 0.213 nan 8.290 nan 0.000 0.807 1389 F N 1.588 121.584 119.950 0.077 0.000 2.406 1389 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 1389 F C 1.147 176.995 175.800 0.081 0.000 1.059 1389 F CA 1.296 59.337 58.000 0.069 0.000 1.458 1389 F CB -0.451 38.586 39.000 0.061 0.000 1.107 1389 F HN 0.144 nan 8.300 nan 0.000 0.582 1390 N N 0.476 118.905 118.700 -0.453 0.000 2.279 1390 N HA 0.107 4.847 4.740 -0.000 0.000 0.226 1390 N C 1.380 176.802 175.510 -0.147 0.000 1.126 1390 N CA 0.123 52.965 53.050 -0.346 0.000 0.846 1390 N CB -0.091 38.069 38.487 -0.544 0.000 1.050 1390 N HN 0.685 nan 8.380 nan 0.000 0.502 1391 R N -1.581 118.882 120.500 -0.061 0.000 2.513 1391 R HA 0.251 4.591 4.340 -0.000 0.000 0.245 1391 R C 0.119 176.429 176.300 0.016 0.000 0.908 1391 R CA -0.154 55.930 56.100 -0.027 0.000 1.023 1391 R CB -0.232 30.058 30.300 -0.018 0.000 1.338 1391 R HN 0.087 nan 8.270 nan 0.000 0.575 1392 S N 1.419 117.150 115.700 0.051 0.000 2.563 1392 S HA -0.012 4.458 4.470 -0.000 0.000 0.269 1392 S C 0.501 175.134 174.600 0.056 0.000 1.364 1392 S CA -0.121 58.120 58.200 0.067 0.000 1.010 1392 S CB 0.303 63.565 63.200 0.104 0.000 0.877 1392 S HN 0.367 nan 8.310 nan 0.000 0.549 1393 N N 0.653 119.384 118.700 0.052 0.000 2.651 1393 N HA -0.059 4.681 4.740 -0.000 0.000 0.193 1393 N C 0.043 175.584 175.510 0.050 0.000 1.149 1393 N CA 0.684 53.761 53.050 0.045 0.000 0.933 1393 N CB -0.959 37.553 38.487 0.041 0.000 0.974 1393 N HN 0.641 nan 8.380 nan 0.000 0.448 1394 T N 0.579 115.170 114.554 0.062 0.000 2.940 1394 T HA 0.242 4.592 4.350 -0.000 0.000 0.309 1394 T C 1.345 176.084 174.700 0.064 0.000 1.056 1394 T CA -0.362 61.778 62.100 0.067 0.000 1.137 1394 T CB 1.017 69.938 68.868 0.089 0.000 0.976 1394 T HN 0.199 nan 8.240 nan 0.000 0.547 1395 G N 0.820 109.658 108.800 0.064 0.000 2.855 1395 G HA2 0.302 4.262 3.960 -0.000 0.000 0.248 1395 G HA3 0.302 4.262 3.960 -0.000 0.000 0.248 1395 G C 1.117 176.072 174.900 0.092 0.000 1.243 1395 G CA -0.241 44.907 45.100 0.080 0.000 0.881 1395 G HN 0.914 nan 8.290 nan 0.000 0.598 1396 A N -0.034 122.870 122.820 0.142 0.000 1.819 1396 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 1396 A C 2.542 180.181 177.584 0.091 0.000 1.226 1396 A CA 1.550 53.649 52.037 0.104 0.000 0.608 1396 A CB -0.902 18.174 19.000 0.127 0.000 0.877 1396 A HN 0.727 nan 8.150 nan 0.000 0.452 1397 L N -1.143 120.176 121.223 0.161 0.000 2.274 1397 L HA -0.368 3.972 4.340 -0.000 0.000 0.220 1397 L C 2.801 179.713 176.870 0.069 0.000 1.088 1397 L CA 2.301 57.209 54.840 0.113 0.000 0.801 1397 L CB -0.536 41.600 42.059 0.129 0.000 0.891 1397 L HN 0.689 nan 8.230 nan 0.000 0.444 1398 M N -0.584 119.060 119.600 0.073 0.000 2.193 1398 M HA -0.152 4.328 4.480 -0.000 0.000 0.265 1398 M C 2.308 178.667 176.300 0.097 0.000 1.071 1398 M CA 1.561 56.906 55.300 0.076 0.000 1.140 1398 M CB 0.012 32.658 32.600 0.078 0.000 1.369 1398 M HN 0.061 nan 8.290 nan 0.000 0.423 1399 R N -0.769 119.781 120.500 0.083 0.000 2.235 1399 R HA -0.061 4.279 4.340 -0.000 0.000 0.213 1399 R C 2.304 178.625 176.300 0.035 0.000 1.059 1399 R CA 0.770 56.917 56.100 0.077 0.000 0.997 1399 R CB -0.659 29.651 30.300 0.018 0.000 0.884 1399 R HN 0.486 nan 8.270 nan 0.000 0.462 1400 C N 1.068 120.378 119.300 0.017 0.000 2.413 1400 C HA -0.096 4.364 4.460 -0.000 0.000 0.276 1400 C C 2.086 177.084 174.990 0.014 0.000 1.236 1400 C CA 1.609 60.614 59.018 -0.022 0.000 1.735 1400 C CB -0.662 27.066 27.740 -0.021 0.000 2.031 1400 C HN 0.528 nan 8.230 nan 0.000 0.474 1401 S N -0.904 114.835 115.700 0.065 0.000 3.120 1401 S HA 0.230 4.700 4.470 -0.000 0.000 0.259 1401 S C -0.302 174.432 174.600 0.224 0.000 1.191 1401 S CA 0.000 58.258 58.200 0.096 0.000 1.257 1401 S CB -0.776 62.468 63.200 0.073 0.000 0.964 1401 S HN 0.533 nan 8.310 nan 0.000 0.473 1402 F N 0.581 120.513 119.950 -0.029 0.000 2.775 1402 F HA 0.261 4.788 4.527 -0.000 0.000 0.339 1402 F C 0.303 176.065 175.800 -0.064 0.000 1.159 1402 F CA -1.440 56.545 58.000 -0.025 0.000 1.145 1402 F CB 0.024 39.027 39.000 0.005 0.000 1.408 1402 F HN 0.253 nan 8.300 nan 0.000 0.597 1403 E N 2.201 122.187 120.200 -0.356 0.000 3.616 1403 E HA -0.331 4.019 4.350 -0.000 0.000 0.275 1403 E C 0.537 176.916 176.600 -0.368 0.000 0.689 1403 E CA 2.209 58.317 56.400 -0.486 0.000 0.942 1403 E CB -0.228 28.933 29.700 -0.899 0.000 1.505 1403 E HN 0.875 nan 8.360 nan 0.000 0.443 1404 E N -1.269 118.733 120.200 -0.330 0.000 2.606 1404 E HA 0.061 4.411 4.350 -0.000 0.000 0.224 1404 E C 0.918 177.388 176.600 -0.216 0.000 0.930 1404 E CA 0.631 56.877 56.400 -0.256 0.000 1.125 1404 E CB 0.647 30.189 29.700 -0.262 0.000 1.123 1404 E HN 0.223 nan 8.360 nan 0.000 0.522 1405 T N 1.148 115.588 114.554 -0.190 0.000 1.721 1405 T HA -0.384 3.966 4.350 -0.000 0.000 0.095 1405 T C 1.819 176.369 174.700 -0.251 0.000 1.825 1405 T CA 2.316 64.308 62.100 -0.180 0.000 0.764 1405 T CB -1.276 67.501 68.868 -0.152 0.000 0.769 1405 T HN 0.039 nan 8.240 nan 0.000 0.396 1406 V N 2.383 122.107 119.914 -0.317 0.000 2.250 1406 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 1406 V C 2.760 178.513 176.094 -0.568 0.000 1.060 1406 V CA 2.668 64.651 62.300 -0.528 0.000 1.030 1406 V CB -0.892 30.564 31.823 -0.612 0.000 0.643 1406 V HN 0.574 nan 8.190 nan 0.000 0.445 1407 E N -0.512 119.460 120.200 -0.380 0.000 2.136 1407 E HA -0.277 4.073 4.350 -0.000 0.000 0.202 1407 E C 2.154 178.663 176.600 -0.150 0.000 1.019 1407 E CA 1.946 58.217 56.400 -0.215 0.000 0.819 1407 E CB -0.250 29.362 29.700 -0.147 0.000 0.739 1407 E HN 0.589 nan 8.360 nan 0.000 0.458 1408 I N 0.616 121.073 120.570 -0.187 0.000 2.353 1408 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 1408 I C 2.433 178.442 176.117 -0.180 0.000 1.119 1408 I CA 0.536 61.743 61.300 -0.156 0.000 1.417 1408 I CB -0.054 37.852 38.000 -0.156 0.000 1.078 1408 I HN 0.147 nan 8.210 nan 0.000 0.421 1409 L N -0.064 121.007 121.223 -0.253 0.000 2.005 1409 L HA -0.236 4.104 4.340 -0.000 0.000 0.207 1409 L C 2.549 179.320 176.870 -0.166 0.000 1.072 1409 L CA 1.644 56.286 54.840 -0.330 0.000 0.744 1409 L CB -0.488 41.359 42.059 -0.354 0.000 0.895 1409 L HN 0.162 nan 8.230 nan 0.000 0.433 1410 F N 0.705 120.550 119.950 -0.175 0.000 2.032 1410 F HA -0.350 4.177 4.527 -0.000 0.000 0.297 1410 F C 2.195 178.032 175.800 0.060 0.000 1.125 1410 F CA 1.208 59.171 58.000 -0.062 0.000 1.202 1410 F CB -0.266 38.690 39.000 -0.073 0.000 0.958 1410 F HN 0.187 nan 8.300 nan 0.000 0.491 1411 E N 0.103 120.427 120.200 0.207 0.000 2.482 1411 E HA -0.073 4.277 4.350 -0.000 0.000 0.200 1411 E C 1.289 177.845 176.600 -0.075 0.000 1.147 1411 E CA 0.188 56.600 56.400 0.021 0.000 0.912 1411 E CB -0.081 29.595 29.700 -0.041 0.000 0.938 1411 E HN 0.395 nan 8.360 nan 0.000 0.519 1412 A N 0.248 123.013 122.820 -0.093 0.000 1.963 1412 A HA 0.181 4.501 4.320 -0.000 0.000 0.207 1412 A C 2.216 179.777 177.584 -0.039 0.000 1.243 1412 A CA 0.601 52.546 52.037 -0.154 0.000 0.728 1412 A CB -0.097 18.616 19.000 -0.479 0.000 0.895 1412 A HN 0.326 nan 8.150 nan 0.000 0.467 1413 G N -0.599 108.190 108.800 -0.019 0.000 2.623 1413 G HA2 0.256 4.216 3.960 -0.000 0.000 0.214 1413 G HA3 0.256 4.216 3.960 -0.000 0.000 0.214 1413 G C 1.449 176.392 174.900 0.072 0.000 1.138 1413 G CA 1.126 46.287 45.100 0.102 0.000 0.794 1413 G HN 0.634 nan 8.290 nan 0.000 0.535 1414 A N 1.308 124.123 122.820 -0.008 0.000 1.854 1414 A HA 0.077 4.397 4.320 -0.000 0.000 0.214 1414 A C 2.343 179.657 177.584 -0.449 0.000 1.192 1414 A CA 1.989 53.853 52.037 -0.287 0.000 0.611 1414 A CB -0.417 18.268 19.000 -0.525 0.000 0.832 1414 A HN 0.614 nan 8.150 nan 0.000 0.442 1415 S N -1.157 114.330 115.700 -0.356 0.000 2.573 1415 S HA 0.533 5.003 4.470 -0.000 0.000 0.244 1415 S C 0.650 175.184 174.600 -0.109 0.000 0.984 1415 S CA 0.469 58.457 58.200 -0.354 0.000 1.001 1415 S CB -0.403 62.596 63.200 -0.336 0.000 0.788 1415 S HN 1.812 nan 8.310 nan 0.000 0.456 1416 A N 1.089 123.904 122.820 -0.009 0.000 2.103 1416 A HA -0.210 4.110 4.320 -0.000 0.000 0.269 1416 A C 0.336 178.003 177.584 0.139 0.000 1.346 1416 A CA 0.848 52.963 52.037 0.131 0.000 0.755 1416 A CB -1.883 17.258 19.000 0.234 0.000 1.146 1416 A HN 0.744 nan 8.150 nan 0.000 0.330 1417 E N -1.189 119.103 120.200 0.153 0.000 2.392 1417 E HA 0.483 4.833 4.350 -0.000 0.000 0.256 1417 E C -0.121 176.565 176.600 0.142 0.000 1.145 1417 E CA -0.570 55.920 56.400 0.151 0.000 0.929 1417 E CB 0.639 30.449 29.700 0.183 0.000 0.998 1417 E HN 0.619 nan 8.360 nan 0.000 0.442 1418 L N 1.609 122.883 121.223 0.085 0.000 2.362 1418 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 1418 L C -1.282 175.591 176.870 0.004 0.000 0.998 1418 L CA -0.376 54.471 54.840 0.011 0.000 0.820 1418 L CB 1.846 43.922 42.059 0.028 0.000 1.270 1418 L HN 0.343 nan 8.230 nan 0.000 0.415 1419 D N 2.898 123.257 120.400 -0.069 0.000 2.381 1419 D HA 0.212 4.852 4.640 -0.000 0.000 0.235 1419 D C 0.242 176.516 176.300 -0.044 0.000 1.068 1419 D CA -0.121 53.859 54.000 -0.033 0.000 0.832 1419 D CB 1.638 42.421 40.800 -0.029 0.000 1.101 1419 D HN 0.626 nan 8.370 nan 0.000 0.515 1420 D N 1.668 122.061 120.400 -0.012 0.000 2.182 1420 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 1420 D C 0.655 176.945 176.300 -0.016 0.000 0.986 1420 D CA 0.805 54.798 54.000 -0.011 0.000 0.847 1420 D CB 0.140 40.943 40.800 0.004 0.000 0.942 1420 D HN 0.511 nan 8.370 nan 0.000 0.467 1421 C N 0.413 119.705 119.300 -0.013 0.000 4.354 1421 C HA -0.151 4.308 4.460 -0.000 0.000 0.307 1421 C C 1.275 176.260 174.990 -0.008 0.000 1.318 1421 C CA -0.026 58.983 59.018 -0.016 0.000 2.060 1421 C CB -2.299 25.421 27.740 -0.033 0.000 1.283 1421 C HN 0.421 nan 8.230 nan 0.000 0.723 1422 R N -0.326 120.176 120.500 0.003 0.000 2.487 1422 R HA 0.231 4.571 4.340 -0.000 0.000 0.272 1422 R C 1.159 177.466 176.300 0.012 0.000 0.928 1422 R CA 0.548 56.655 56.100 0.010 0.000 1.077 1422 R CB 0.617 30.928 30.300 0.019 0.000 1.265 1422 R HN 0.570 nan 8.270 nan 0.000 0.537 1423 G N 0.378 109.184 108.800 0.011 0.000 2.444 1423 G HA2 0.269 4.229 3.960 -0.000 0.000 0.268 1423 G HA3 0.269 4.229 3.960 -0.000 0.000 0.268 1423 G C 1.142 176.040 174.900 -0.003 0.000 1.203 1423 G CA -0.577 44.530 45.100 0.011 0.000 0.835 1423 G HN -0.129 nan 8.290 nan 0.000 0.543 1424 V N 2.050 121.956 119.914 -0.012 0.000 2.220 1424 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 1424 V C 3.029 179.111 176.094 -0.020 0.000 1.049 1424 V CA 2.555 64.839 62.300 -0.027 0.000 1.003 1424 V CB -1.077 30.723 31.823 -0.038 0.000 0.634 1424 V HN 0.721 nan 8.190 nan 0.000 0.444 1425 S N -0.235 115.460 115.700 -0.009 0.000 2.369 1425 S HA -0.282 4.188 4.470 -0.000 0.000 0.225 1425 S C 1.855 176.456 174.600 0.002 0.000 1.043 1425 S CA 1.840 60.039 58.200 -0.000 0.000 1.074 1425 S CB -0.550 62.661 63.200 0.018 0.000 0.962 1425 S HN 0.687 nan 8.310 nan 0.000 0.433 1426 E N 1.848 122.053 120.200 0.009 0.000 2.110 1426 E HA -0.248 4.102 4.350 -0.000 0.000 0.225 1426 E C 1.857 178.453 176.600 -0.007 0.000 1.063 1426 E CA 1.452 57.856 56.400 0.007 0.000 0.906 1426 E CB -0.979 28.724 29.700 0.005 0.000 0.795 1426 E HN 0.543 nan 8.360 nan 0.000 0.479 1427 N N 0.643 119.334 118.700 -0.016 0.000 2.104 1427 N HA -0.132 4.607 4.740 -0.000 0.000 0.190 1427 N C 2.137 177.632 175.510 -0.025 0.000 1.024 1427 N CA 1.159 54.194 53.050 -0.025 0.000 0.853 1427 N CB -0.382 38.086 38.487 -0.031 0.000 1.008 1427 N HN -0.008 nan 8.380 nan 0.000 0.424 1428 V N 2.297 122.197 119.914 -0.024 0.000 2.380 1428 V HA -0.210 3.910 4.120 -0.000 0.000 0.251 1428 V C 2.174 178.257 176.094 -0.019 0.000 1.063 1428 V CA 1.350 63.635 62.300 -0.025 0.000 1.055 1428 V CB -0.352 31.456 31.823 -0.025 0.000 0.657 1428 V HN 0.283 nan 8.190 nan 0.000 0.455 1429 I N -1.103 119.460 120.570 -0.012 0.000 2.761 1429 I HA -0.138 4.032 4.170 -0.000 0.000 0.261 1429 I C 1.927 178.037 176.117 -0.012 0.000 1.198 1429 I CA 1.176 62.472 61.300 -0.007 0.000 1.482 1429 I CB -0.135 37.867 38.000 0.004 0.000 1.100 1429 I HN 0.273 nan 8.210 nan 0.000 0.445 1430 L N 0.219 121.432 121.223 -0.017 0.000 2.477 1430 L HA 0.262 4.602 4.340 -0.000 0.000 0.220 1430 L C 1.366 178.221 176.870 -0.024 0.000 1.106 1430 L CA 0.497 55.324 54.840 -0.023 0.000 0.851 1430 L CB -0.056 41.986 42.059 -0.029 0.000 0.994 1430 L HN 0.409 nan 8.230 nan 0.000 0.462 1431 G N 0.562 109.347 108.800 -0.025 0.000 2.203 1431 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.231 1431 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.231 1431 G C -0.104 174.778 174.900 -0.029 0.000 1.058 1431 G CA -0.335 44.749 45.100 -0.026 0.000 0.781 1431 G HN 0.363 nan 8.290 nan 0.000 0.496 1432 Q N -0.552 119.229 119.800 -0.032 0.000 2.348 1432 Q HA 0.566 4.906 4.340 -0.000 0.000 0.271 1432 Q C 0.269 176.243 176.000 -0.042 0.000 1.067 1432 Q CA -1.077 54.705 55.803 -0.035 0.000 0.839 1432 Q CB 1.802 30.520 28.738 -0.033 0.000 1.354 1432 Q HN 0.336 nan 8.270 nan 0.000 0.447 1433 M N 2.070 121.642 119.600 -0.047 0.000 2.292 1433 M HA 0.204 4.684 4.480 -0.000 0.000 0.342 1433 M C -0.516 175.743 176.300 -0.067 0.000 1.538 1433 M CA 0.029 55.292 55.300 -0.061 0.000 1.163 1433 M CB 0.213 32.772 32.600 -0.068 0.000 1.823 1433 M HN 0.789 nan 8.290 nan 0.000 0.462 1434 A N 7.444 130.223 122.820 -0.069 0.000 2.351 1434 A HA 0.477 4.797 4.320 -0.000 0.000 0.257 1434 A C -2.358 175.172 177.584 -0.091 0.000 1.087 1434 A CA -1.276 50.720 52.037 -0.068 0.000 0.798 1434 A CB -0.343 18.621 19.000 -0.060 0.000 1.033 1434 A HN 0.615 nan 8.150 nan 0.000 0.488 1435 P HA 0.314 nan 4.420 nan 0.000 0.252 1435 P C -1.128 176.104 177.300 -0.113 0.000 1.694 1435 P CA 0.863 63.910 63.100 -0.089 0.000 1.163 1435 P CB -0.409 31.272 31.700 -0.032 0.000 1.934 1436 I N 0.786 121.267 120.570 -0.149 0.000 2.610 1436 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 1436 I C 1.171 177.188 176.117 -0.167 0.000 1.163 1436 I CA -0.436 60.773 61.300 -0.150 0.000 1.044 1436 I CB 1.901 39.829 38.000 -0.119 0.000 1.251 1436 I HN 0.363 nan 8.210 nan 0.000 0.424 1437 G N 3.927 112.630 108.800 -0.161 0.000 2.698 1437 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.346 1437 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.346 1437 G C 1.006 175.810 174.900 -0.160 0.000 1.287 1437 G CA 1.186 46.213 45.100 -0.121 0.000 0.990 1437 G HN 0.579 nan 8.290 nan 0.000 0.545 1438 T N 1.023 115.497 114.554 -0.133 0.000 2.902 1438 T HA -0.144 4.206 4.350 -0.000 0.000 0.260 1438 T C 1.777 176.165 174.700 -0.521 0.000 1.064 1438 T CA 2.543 64.522 62.100 -0.201 0.000 1.152 1438 T CB -0.472 68.323 68.868 -0.121 0.000 0.810 1438 T HN 1.622 nan 8.240 nan 0.000 0.523 1439 G N -0.732 107.790 108.800 -0.463 0.000 4.144 1439 G HA2 0.512 4.472 3.960 -0.000 0.000 0.297 1439 G HA3 0.512 4.472 3.960 -0.000 0.000 0.297 1439 G C 0.616 175.253 174.900 -0.439 0.000 1.090 1439 G CA 0.264 45.066 45.100 -0.497 0.000 0.870 1439 G HN 0.461 nan 8.290 nan 0.000 0.532 1440 A N 0.411 122.921 122.820 -0.516 0.000 2.411 1440 A HA 0.692 5.012 4.320 -0.000 0.000 0.251 1440 A C 0.138 177.821 177.584 0.166 0.000 1.317 1440 A CA -0.209 51.749 52.037 -0.132 0.000 0.904 1440 A CB -0.739 18.206 19.000 -0.091 0.000 0.993 1440 A HN 0.846 nan 8.150 nan 0.000 0.504 1441 F N -4.193 115.819 119.950 0.103 0.000 3.194 1441 F HA 0.631 5.158 4.527 -0.000 0.000 0.327 1441 F C -1.615 174.233 175.800 0.080 0.000 1.141 1441 F CA -1.644 56.438 58.000 0.137 0.000 0.862 1441 F CB 0.346 39.472 39.000 0.209 0.000 1.447 1441 F HN -0.163 nan 8.300 nan 0.000 0.479 1442 D N 0.476 121.114 120.400 0.397 0.000 2.419 1442 D HA 0.698 5.338 4.640 -0.000 0.000 0.234 1442 D C -1.323 175.148 176.300 0.284 0.000 1.014 1442 D CA -0.276 53.869 54.000 0.241 0.000 0.919 1442 D CB 2.917 43.797 40.800 0.135 0.000 1.366 1442 D HN 0.548 nan 8.370 nan 0.000 0.490 1443 V N 0.557 120.586 119.914 0.193 0.000 2.540 1443 V HA 0.618 4.738 4.120 -0.000 0.000 0.302 1443 V C -0.087 176.062 176.094 0.092 0.000 1.035 1443 V CA -0.686 61.706 62.300 0.152 0.000 0.873 1443 V CB 1.585 33.502 31.823 0.158 0.000 0.992 1443 V HN 0.463 nan 8.190 nan 0.000 0.428 1444 M N 3.876 123.518 119.600 0.070 0.000 2.644 1444 M HA 0.654 5.134 4.480 -0.000 0.000 0.304 1444 M C -1.320 175.007 176.300 0.046 0.000 1.215 1444 M CA -0.642 54.689 55.300 0.052 0.000 0.871 1444 M CB 2.649 35.275 32.600 0.043 0.000 1.740 1444 M HN 0.495 nan 8.290 nan 0.000 0.464 1445 I N 1.217 121.812 120.570 0.040 0.000 2.281 1445 I HA 0.161 4.331 4.170 -0.000 0.000 0.293 1445 I C -0.255 175.880 176.117 0.030 0.000 1.085 1445 I CA -0.201 61.124 61.300 0.041 0.000 1.257 1445 I CB -0.216 37.807 38.000 0.038 0.000 1.430 1445 I HN 0.415 nan 8.210 nan 0.000 0.489 1446 D N 5.299 125.716 120.400 0.028 0.000 2.367 1446 D HA -0.047 4.593 4.640 -0.000 0.000 0.255 1446 D C 1.339 177.637 176.300 -0.003 0.000 1.300 1446 D CA 0.263 54.268 54.000 0.008 0.000 0.959 1446 D CB 0.672 41.472 40.800 -0.000 0.000 1.064 1446 D HN 0.518 nan 8.370 nan 0.000 0.509 1447 E N 3.498 123.695 120.200 -0.004 0.000 2.160 1447 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1447 E C 0.886 177.465 176.600 -0.035 0.000 0.991 1447 E CA 1.082 57.476 56.400 -0.009 0.000 0.810 1447 E CB 0.333 30.030 29.700 -0.005 0.000 0.742 1447 E HN 0.663 nan 8.360 nan 0.000 0.466 1448 E N 0.232 120.405 120.200 -0.046 0.000 2.005 1448 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 1448 E C 2.115 178.635 176.600 -0.133 0.000 1.010 1448 E CA 1.773 58.130 56.400 -0.072 0.000 0.825 1448 E CB -0.175 29.488 29.700 -0.062 0.000 0.769 1448 E HN 0.308 nan 8.360 nan 0.000 0.456 1449 S N 1.045 116.646 115.700 -0.165 0.000 2.493 1449 S HA -0.152 4.318 4.470 -0.000 0.000 0.243 1449 S C 1.635 175.976 174.600 -0.432 0.000 0.991 1449 S CA 0.540 58.527 58.200 -0.355 0.000 0.957 1449 S CB -0.161 62.878 63.200 -0.268 0.000 0.756 1449 S HN 0.150 nan 8.310 nan 0.000 0.521 1450 L N 1.097 122.231 121.223 -0.149 0.000 2.718 1450 L HA 0.394 4.734 4.340 -0.000 0.000 0.242 1450 L C 0.903 177.752 176.870 -0.035 0.000 1.203 1450 L CA 0.183 55.010 54.840 -0.021 0.000 1.011 1450 L CB -0.033 42.044 42.059 0.029 0.000 1.250 1450 L HN 0.173 nan 8.230 nan 0.000 0.437 1451 V N -1.792 118.048 119.914 -0.123 0.000 3.141 1451 V HA 0.035 4.155 4.120 -0.000 0.000 0.225 1451 V C 1.850 177.896 176.094 -0.081 0.000 1.352 1451 V CA 0.174 62.432 62.300 -0.070 0.000 1.316 1451 V CB 0.137 31.920 31.823 -0.067 0.000 1.126 1451 V HN 0.247 nan 8.190 nan 0.000 0.493 1452 K N 0.077 120.360 120.400 -0.194 0.000 2.585 1452 K HA -0.055 4.265 4.320 -0.000 0.000 0.194 1452 K C -0.040 176.553 176.600 -0.011 0.000 1.037 1452 K CA 0.996 57.194 56.287 -0.149 0.000 0.964 1452 K CB -0.195 32.164 32.500 -0.234 0.000 0.787 1452 K HN 0.542 nan 8.250 nan 0.000 0.488 1453 Y N 1.904 122.205 120.300 0.002 0.000 2.907 1453 Y HA 0.216 4.766 4.550 -0.000 0.000 0.332 1453 Y C -0.078 175.824 175.900 0.004 0.000 1.211 1453 Y CA -1.055 57.047 58.100 0.004 0.000 1.387 1453 Y CB -0.083 38.380 38.460 0.005 0.000 1.396 1453 Y HN 0.020 nan 8.280 nan 0.000 0.519 1454 M N 1.343 121.034 119.600 0.151 0.000 2.561 1454 M HA 0.324 4.804 4.480 -0.000 0.000 0.166 1454 M C -3.228 173.106 176.300 0.057 0.000 0.894 1454 M CA -1.241 54.109 55.300 0.084 0.000 0.719 1454 M CB 0.256 32.895 32.600 0.065 0.000 2.677 1454 M HN 0.065 nan 8.290 nan 0.000 0.376 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.119 63.100 0.031 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.026 0.000 0.726