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 2ja6_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 VGSWKKDRXX 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 VVRPXXXXXX 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 0.000 176.094 176.094 -0.000 0.000 1.182 2 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 2 V CB 0.000 31.820 31.823 -0.004 0.000 1.184 3 G N 3.858 112.656 108.800 -0.002 0.000 2.611 3 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.208 3 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.208 3 G C 0.170 175.070 174.900 -0.001 0.000 1.201 3 G CA 0.966 46.065 45.100 -0.000 0.000 0.739 3 G HN 1.971 nan 8.290 nan 0.000 0.528 4 Q N -0.663 119.139 119.800 0.004 0.000 3.043 4 Q HA 0.021 4.361 4.340 -0.000 0.000 0.026 4 Q C -0.280 175.733 176.000 0.022 0.000 1.654 4 Q CA 0.614 56.420 55.803 0.005 0.000 0.229 4 Q CB -0.932 27.799 28.738 -0.011 0.000 2.065 4 Q HN 1.526 nan 8.270 nan 0.000 0.318 5 Q N -0.410 119.411 119.800 0.036 0.000 3.062 5 Q HA -0.173 4.167 4.340 -0.000 0.000 0.085 5 Q C -1.491 174.579 176.000 0.115 0.000 1.615 5 Q CA 0.339 56.178 55.803 0.060 0.000 0.328 5 Q CB -0.358 28.398 28.738 0.031 0.000 0.592 5 Q HN 0.528 nan 8.270 nan 0.000 0.321 6 Y N 2.758 123.051 120.300 -0.011 0.000 2.411 6 Y HA 0.348 4.898 4.550 -0.000 0.000 0.333 6 Y C 0.009 175.905 175.900 -0.005 0.000 1.186 6 Y CA 0.362 58.457 58.100 -0.008 0.000 1.381 6 Y CB 0.938 39.394 38.460 -0.007 0.000 1.273 6 Y HN 0.422 nan 8.280 nan 0.000 0.546 7 S N 2.760 118.256 115.700 -0.340 0.000 2.605 7 S HA 0.292 4.762 4.470 -0.000 0.000 0.308 7 S C 0.171 174.367 174.600 -0.673 0.000 1.113 7 S CA -0.232 57.699 58.200 -0.449 0.000 1.049 7 S CB 0.848 63.956 63.200 -0.154 0.000 1.001 7 S HN 0.832 nan 8.310 nan 0.000 0.480 8 S N 2.211 117.497 115.700 -0.690 0.000 2.805 8 S HA 0.239 4.709 4.470 -0.000 0.000 0.230 8 S C 0.756 175.252 174.600 -0.172 0.000 0.968 8 S CA -0.074 57.870 58.200 -0.427 0.000 0.976 8 S CB -0.830 62.207 63.200 -0.271 0.000 0.787 8 S HN 1.236 nan 8.310 nan 0.000 0.533 9 A N 3.426 126.157 122.820 -0.148 0.000 2.276 9 A HA 0.611 4.931 4.320 -0.000 0.000 0.300 9 A C -1.465 176.107 177.584 -0.019 0.000 1.235 9 A CA -1.808 50.190 52.037 -0.065 0.000 0.867 9 A CB 0.099 19.064 19.000 -0.058 0.000 1.137 9 A HN 0.450 nan 8.150 nan 0.000 0.527 10 P HA 0.251 nan 4.420 nan 0.000 0.269 10 P C -0.657 176.651 177.300 0.012 0.000 1.217 10 P CA -0.036 63.074 63.100 0.016 0.000 0.783 10 P CB 0.693 32.400 31.700 0.011 0.000 0.898 11 L N 1.039 122.274 121.223 0.020 0.000 2.346 11 L HA 0.701 5.041 4.340 -0.000 0.000 0.276 11 L C -0.340 176.534 176.870 0.006 0.000 1.006 11 L CA -0.694 54.154 54.840 0.013 0.000 0.817 11 L CB 2.004 44.076 42.059 0.022 0.000 1.272 11 L HN 0.338 nan 8.230 nan 0.000 0.421 12 R N 1.111 121.610 120.500 -0.002 0.000 2.846 12 R HA 0.595 4.935 4.340 -0.000 0.000 0.263 12 R C -1.052 175.241 176.300 -0.012 0.000 1.080 12 R CA -0.459 55.637 56.100 -0.006 0.000 0.961 12 R CB 2.155 32.449 30.300 -0.009 0.000 1.231 12 R HN 0.829 nan 8.270 nan 0.000 0.465 13 T N -1.999 112.546 114.554 -0.015 0.000 2.925 13 T HA 0.464 4.813 4.350 -0.000 0.000 0.285 13 T C 0.123 174.806 174.700 -0.029 0.000 1.021 13 T CA -0.698 61.389 62.100 -0.021 0.000 1.042 13 T CB 1.488 70.345 68.868 -0.019 0.000 1.037 13 T HN 0.136 nan 8.240 nan 0.000 0.481 14 V N 3.449 123.342 119.914 -0.036 0.000 2.555 14 V HA 0.249 4.369 4.120 -0.000 0.000 0.286 14 V C 1.068 177.133 176.094 -0.048 0.000 1.044 14 V CA -0.222 62.048 62.300 -0.050 0.000 1.026 14 V CB 1.005 32.792 31.823 -0.060 0.000 0.981 14 V HN 0.920 nan 8.190 nan 0.000 0.480 15 K N 2.647 123.016 120.400 -0.053 0.000 2.367 15 K HA 0.308 4.628 4.320 -0.000 0.000 0.198 15 K C 0.196 176.761 176.600 -0.059 0.000 1.132 15 K CA 0.374 56.633 56.287 -0.045 0.000 0.941 15 K CB 0.922 33.401 32.500 -0.034 0.000 1.052 15 K HN 0.727 nan 8.250 nan 0.000 0.507 16 E N 0.724 120.874 120.200 -0.084 0.000 2.369 16 E HA 0.411 4.761 4.350 -0.000 0.000 0.270 16 E C -1.234 175.255 176.600 -0.185 0.000 0.909 16 E CA -0.835 55.497 56.400 -0.113 0.000 0.775 16 E CB 3.056 32.698 29.700 -0.096 0.000 1.270 16 E HN -0.276 nan 8.360 nan 0.000 0.445 17 V N 2.263 122.017 119.914 -0.267 0.000 2.376 17 V HA 0.174 4.294 4.120 -0.000 0.000 0.287 17 V C -0.613 175.114 176.094 -0.611 0.000 1.015 17 V CA -0.806 61.214 62.300 -0.466 0.000 0.834 17 V CB 1.407 32.893 31.823 -0.562 0.000 1.001 17 V HN 0.550 nan 8.190 nan 0.000 0.428 18 Q N 4.096 123.559 119.800 -0.563 0.000 2.390 18 Q HA 0.447 4.787 4.340 -0.000 0.000 0.249 18 Q C -0.815 174.836 176.000 -0.582 0.000 0.996 18 Q CA -0.165 55.317 55.803 -0.535 0.000 0.899 18 Q CB 0.986 29.368 28.738 -0.594 0.000 1.216 18 Q HN 0.628 nan 8.270 nan 0.000 0.465 19 F N 0.970 120.805 119.950 -0.192 0.000 2.456 19 F HA 0.510 5.037 4.527 -0.000 0.000 0.358 19 F C 1.282 176.982 175.800 -0.167 0.000 1.095 19 F CA 0.094 58.000 58.000 -0.156 0.000 1.216 19 F CB 1.296 40.255 39.000 -0.069 0.000 1.125 19 F HN 0.505 nan 8.300 nan 0.000 0.549 20 G N 3.154 111.968 108.800 0.022 0.000 2.870 20 G HA2 0.747 4.707 3.960 -0.000 0.000 0.299 20 G HA3 0.747 4.707 3.960 -0.000 0.000 0.299 20 G C -1.873 172.995 174.900 -0.053 0.000 1.324 20 G CA -0.901 44.174 45.100 -0.042 0.000 0.808 20 G HN 0.470 nan 8.290 nan 0.000 0.535 21 L N -0.258 120.889 121.223 -0.127 0.000 2.381 21 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 21 L C -0.955 175.664 176.870 -0.417 0.000 0.997 21 L CA -0.703 54.068 54.840 -0.115 0.000 0.818 21 L CB 2.615 44.747 42.059 0.121 0.000 1.310 21 L HN 0.430 nan 8.230 nan 0.000 0.416 22 F N 1.094 120.853 119.950 -0.319 0.000 2.495 22 F HA 0.131 4.658 4.527 -0.000 0.000 0.365 22 F C 0.921 176.336 175.800 -0.641 0.000 1.090 22 F CA 0.051 57.809 58.000 -0.404 0.000 1.235 22 F CB 1.283 40.145 39.000 -0.230 0.000 1.119 22 F HN 0.464 nan 8.300 nan 0.000 0.562 23 S N 5.573 120.969 115.700 -0.507 0.000 2.475 23 S HA 0.250 4.720 4.470 -0.000 0.000 0.281 23 S C -1.673 172.988 174.600 0.103 0.000 1.198 23 S CA -1.443 56.484 58.200 -0.456 0.000 1.063 23 S CB 1.363 64.445 63.200 -0.196 0.000 0.972 23 S HN 0.454 nan 8.310 nan 0.000 0.486 24 P HA -0.238 nan 4.420 nan 0.000 0.219 24 P C 0.710 178.109 177.300 0.164 0.000 1.151 24 P CA 1.562 64.775 63.100 0.189 0.000 0.850 24 P CB 0.160 31.990 31.700 0.217 0.000 0.784 25 E N -0.152 120.163 120.200 0.192 0.000 2.107 25 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 25 E C 2.232 178.900 176.600 0.114 0.000 0.982 25 E CA 0.993 57.483 56.400 0.150 0.000 0.809 25 E CB -0.596 29.205 29.700 0.168 0.000 0.756 25 E HN 0.454 nan 8.360 nan 0.000 0.459 26 E N 0.512 120.788 120.200 0.126 0.000 2.015 26 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 26 E C 1.982 178.639 176.600 0.095 0.000 0.991 26 E CA 1.425 57.903 56.400 0.129 0.000 0.802 26 E CB -0.037 29.767 29.700 0.173 0.000 0.759 26 E HN 0.027 nan 8.360 nan 0.000 0.447 27 V N 1.550 121.498 119.914 0.058 0.000 2.311 27 V HA -0.383 3.737 4.120 -0.000 0.000 0.256 27 V C 2.520 178.568 176.094 -0.077 0.000 1.077 27 V CA 2.489 64.695 62.300 -0.157 0.000 1.067 27 V CB -0.698 31.031 31.823 -0.157 0.000 0.659 27 V HN 0.313 nan 8.190 nan 0.000 0.451 28 R N -0.249 120.247 120.500 -0.006 0.000 2.064 28 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 28 R C 2.550 178.770 176.300 -0.134 0.000 1.144 28 R CA 1.444 57.487 56.100 -0.094 0.000 0.932 28 R CB -0.841 29.477 30.300 0.031 0.000 0.833 28 R HN 0.521 nan 8.270 nan 0.000 0.429 29 A N 1.729 124.528 122.820 -0.035 0.000 1.915 29 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 29 A C 2.228 179.793 177.584 -0.032 0.000 1.198 29 A CA 1.698 53.723 52.037 -0.020 0.000 0.647 29 A CB -0.798 18.215 19.000 0.021 0.000 0.825 29 A HN 0.247 nan 8.150 nan 0.000 0.456 30 I N -0.504 120.056 120.570 -0.017 0.000 2.099 30 I HA -0.172 3.998 4.170 -0.000 0.000 0.239 30 I C 1.740 177.849 176.117 -0.014 0.000 1.066 30 I CA 0.967 62.267 61.300 -0.000 0.000 1.324 30 I CB -0.597 37.409 38.000 0.010 0.000 1.037 30 I HN 0.377 nan 8.210 nan 0.000 0.401 31 S N 0.136 115.792 115.700 -0.072 0.000 2.542 31 S HA -0.029 4.441 4.470 -0.000 0.000 0.287 31 S C 0.584 175.141 174.600 -0.072 0.000 1.315 31 S CA 0.420 58.572 58.200 -0.079 0.000 1.037 31 S CB 0.802 63.833 63.200 -0.281 0.000 0.822 31 S HN 0.283 nan 8.310 nan 0.000 0.513 32 V N 0.961 120.869 119.914 -0.011 0.000 3.199 32 V HA 0.784 4.904 4.120 -0.000 0.000 0.331 32 V C -0.093 176.005 176.094 0.007 0.000 1.446 32 V CA 0.249 62.541 62.300 -0.012 0.000 1.120 32 V CB -0.176 31.646 31.823 -0.003 0.000 1.051 32 V HN 0.982 nan 8.190 nan 0.000 0.495 33 A N 0.309 123.150 122.820 0.036 0.000 2.402 33 A HA 0.823 5.143 4.320 -0.000 0.000 0.291 33 A C 0.370 178.079 177.584 0.208 0.000 1.051 33 A CA -0.493 51.597 52.037 0.089 0.000 0.716 33 A CB 1.959 21.005 19.000 0.077 0.000 1.223 33 A HN 0.061 nan 8.150 nan 0.000 0.425 34 K N 1.285 121.796 120.400 0.186 0.000 1.985 34 K HA 0.148 4.468 4.320 -0.000 0.000 0.210 34 K C 0.428 177.117 176.600 0.148 0.000 1.047 34 K CA 1.590 58.019 56.287 0.237 0.000 0.932 34 K CB -0.425 32.172 32.500 0.162 0.000 0.716 34 K HN 0.916 nan 8.250 nan 0.000 0.439 35 I N 0.515 121.161 120.570 0.127 0.000 6.526 35 I HA -0.340 3.830 4.170 -0.000 0.000 0.126 35 I C 0.464 176.635 176.117 0.091 0.000 1.826 35 I CA 0.050 61.408 61.300 0.098 0.000 2.038 35 I CB -0.636 37.396 38.000 0.053 0.000 3.502 35 I HN 0.216 nan 8.210 nan 0.000 0.169 36 R N 1.397 122.018 120.500 0.202 0.000 2.167 36 R HA 0.250 4.590 4.340 -0.000 0.000 0.201 36 R C 0.370 176.707 176.300 0.062 0.000 1.024 36 R CA 0.720 56.882 56.100 0.103 0.000 1.053 36 R CB 0.258 30.590 30.300 0.053 0.000 0.987 36 R HN 0.220 nan 8.270 nan 0.000 0.493 37 F N 1.513 121.454 119.950 -0.015 0.000 2.371 37 F HA 0.262 4.789 4.527 -0.000 0.000 0.329 37 F C -1.321 174.471 175.800 -0.013 0.000 1.107 37 F CA -2.783 55.210 58.000 -0.012 0.000 1.137 37 F CB 0.546 39.542 39.000 -0.007 0.000 1.214 37 F HN -0.128 nan 8.300 nan 0.000 0.536 38 P HA 0.080 nan 4.420 nan 0.000 0.267 38 P C -0.411 176.944 177.300 0.091 0.000 1.289 38 P CA 0.340 63.492 63.100 0.087 0.000 0.866 38 P CB 0.484 32.207 31.700 0.039 0.000 1.309 39 E N -0.343 119.930 120.200 0.122 0.000 2.369 39 E HA 0.153 4.503 4.350 -0.000 0.000 0.255 39 E C 0.730 177.368 176.600 0.063 0.000 1.172 39 E CA 0.025 56.477 56.400 0.088 0.000 0.932 39 E CB 0.464 30.220 29.700 0.094 0.000 1.040 39 E HN -0.106 nan 8.360 nan 0.000 0.454 40 T N 0.172 114.755 114.554 0.050 0.000 2.898 40 T HA 0.064 4.414 4.350 -0.000 0.000 0.241 40 T C 1.083 175.780 174.700 -0.005 0.000 1.024 40 T CA 0.966 63.084 62.100 0.030 0.000 1.174 40 T CB 0.161 69.055 68.868 0.044 0.000 0.873 40 T HN 0.388 nan 8.240 nan 0.000 0.422 41 M N -0.568 119.029 119.600 -0.005 0.000 1.789 41 M HA 0.324 4.804 4.480 -0.000 0.000 0.506 41 M C -1.271 175.014 176.300 -0.024 0.000 2.206 41 M CA -0.712 54.572 55.300 -0.028 0.000 1.001 41 M CB 0.396 32.982 32.600 -0.023 0.000 3.823 41 M HN -0.255 nan 8.290 nan 0.000 0.887 42 D N 3.419 123.809 120.400 -0.017 0.000 3.284 42 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 42 D C -0.711 175.578 176.300 -0.017 0.000 1.175 42 D CA 0.802 54.796 54.000 -0.011 0.000 0.970 42 D CB -0.458 40.344 40.800 0.003 0.000 0.803 42 D HN 0.499 nan 8.370 nan 0.000 0.386 43 E N 0.563 120.746 120.200 -0.029 0.000 3.079 43 E HA 0.034 4.384 4.350 -0.000 0.000 0.267 43 E C 0.107 176.698 176.600 -0.014 0.000 1.509 43 E CA 0.090 56.469 56.400 -0.034 0.000 1.630 43 E CB -0.280 29.395 29.700 -0.041 0.000 1.373 43 E HN 0.349 nan 8.360 nan 0.000 0.439 44 T N 0.372 114.923 114.554 -0.003 0.000 4.460 44 T HA -0.166 4.184 4.350 -0.000 0.000 0.338 44 T C 0.485 175.187 174.700 0.003 0.000 0.761 44 T CA 0.457 62.560 62.100 0.005 0.000 2.009 44 T CB -1.571 67.300 68.868 0.005 0.000 1.894 44 T HN 0.614 nan 8.240 nan 0.000 0.982 45 Q N -2.197 117.606 119.800 0.004 0.000 2.963 45 Q HA -0.187 4.153 4.340 -0.000 0.000 0.171 45 Q C 0.329 176.329 176.000 -0.001 0.000 1.703 45 Q CA 1.901 57.706 55.803 0.004 0.000 1.023 45 Q CB -1.847 26.895 28.738 0.007 0.000 0.933 45 Q HN 0.737 nan 8.270 nan 0.000 0.964 46 T N 2.827 117.378 114.554 -0.005 0.000 2.822 46 T HA 0.062 4.412 4.350 -0.000 0.000 0.288 46 T C 0.256 174.948 174.700 -0.013 0.000 0.991 46 T CA 0.426 62.521 62.100 -0.009 0.000 1.176 46 T CB 0.178 69.039 68.868 -0.012 0.000 0.951 46 T HN 0.108 nan 8.240 nan 0.000 0.526 47 R N 2.162 122.655 120.500 -0.011 0.000 2.389 47 R HA 0.561 4.901 4.340 -0.000 0.000 0.295 47 R C 0.511 176.798 176.300 -0.021 0.000 1.075 47 R CA -0.105 55.987 56.100 -0.014 0.000 1.005 47 R CB 0.637 30.930 30.300 -0.010 0.000 0.987 47 R HN 0.836 nan 8.270 nan 0.000 0.452 48 A N 2.525 125.329 122.820 -0.027 0.000 5.135 48 A HA 0.268 4.588 4.320 -0.000 0.000 0.139 48 A C -1.538 176.022 177.584 -0.041 0.000 1.111 48 A CA -0.798 51.219 52.037 -0.033 0.000 1.215 48 A CB 0.658 19.636 19.000 -0.037 0.000 1.926 48 A HN 0.521 nan 8.150 nan 0.000 0.927 49 K N 0.078 120.446 120.400 -0.053 0.000 2.525 49 K HA 0.664 4.984 4.320 -0.000 0.000 0.254 49 K C -1.370 175.172 176.600 -0.098 0.000 0.934 49 K CA -0.429 55.819 56.287 -0.064 0.000 0.802 49 K CB 2.323 34.790 32.500 -0.055 0.000 1.295 49 K HN 0.547 nan 8.250 nan 0.000 0.433 50 I N 0.879 121.369 120.570 -0.134 0.000 2.612 50 I HA 0.104 4.274 4.170 -0.000 0.000 0.295 50 I C 1.468 177.432 176.117 -0.256 0.000 1.011 50 I CA -0.151 61.008 61.300 -0.235 0.000 1.326 50 I CB 1.136 38.925 38.000 -0.351 0.000 1.427 50 I HN 0.890 nan 8.210 nan 0.000 0.537 51 G N 3.667 112.285 108.800 -0.303 0.000 3.337 51 G HA2 0.125 4.085 3.960 -0.000 0.000 0.226 51 G HA3 0.125 4.085 3.960 -0.000 0.000 0.226 51 G C 0.802 175.554 174.900 -0.247 0.000 1.295 51 G CA 0.452 45.424 45.100 -0.213 0.000 1.427 51 G HN 0.938 nan 8.290 nan 0.000 0.535 52 G N -0.271 108.353 108.800 -0.294 0.000 2.651 52 G HA2 0.406 4.366 3.960 -0.000 0.000 0.226 52 G HA3 0.406 4.366 3.960 -0.000 0.000 0.226 52 G C 0.427 175.355 174.900 0.048 0.000 1.542 52 G CA -0.174 44.877 45.100 -0.081 0.000 0.868 52 G HN 0.387 nan 8.290 nan 0.000 0.588 53 L N 0.355 121.590 121.223 0.020 0.000 2.421 53 L HA 0.386 4.726 4.340 -0.000 0.000 0.267 53 L C -0.130 176.734 176.870 -0.011 0.000 1.036 53 L CA -0.730 54.121 54.840 0.020 0.000 0.829 53 L CB 1.042 43.118 42.059 0.030 0.000 1.437 53 L HN 0.676 nan 8.230 nan 0.000 0.488 54 N N 0.964 119.654 118.700 -0.017 0.000 1.982 54 N HA -0.247 4.493 4.740 -0.000 0.000 0.354 54 N C -0.503 174.988 175.510 -0.032 0.000 1.170 54 N CA 1.161 54.194 53.050 -0.030 0.000 0.800 54 N CB -0.550 37.914 38.487 -0.039 0.000 1.027 54 N HN 0.743 nan 8.380 nan 0.000 0.549 55 D N -0.119 120.266 120.400 -0.025 0.000 2.832 55 D HA -0.075 4.565 4.640 -0.000 0.000 0.235 55 D C -2.229 174.051 176.300 -0.034 0.000 1.081 55 D CA 0.374 54.359 54.000 -0.025 0.000 0.744 55 D CB -0.761 40.021 40.800 -0.030 0.000 1.086 55 D HN 0.587 nan 8.370 nan 0.000 0.438 56 P HA 0.281 nan 4.420 nan 0.000 0.255 56 P C 0.391 177.678 177.300 -0.022 0.000 1.301 56 P CA 0.348 63.429 63.100 -0.031 0.000 0.817 56 P CB 0.424 32.123 31.700 -0.002 0.000 1.259 57 R N -4.749 115.737 120.500 -0.023 0.000 2.109 57 R HA 0.005 4.345 4.340 -0.000 0.000 0.065 57 R C 0.242 176.524 176.300 -0.030 0.000 0.638 57 R CA -0.128 55.953 56.100 -0.033 0.000 2.173 57 R CB -1.015 29.266 30.300 -0.031 0.000 0.848 57 R HN 0.045 nan 8.270 nan 0.000 0.562 58 L N 1.361 122.585 121.223 0.001 0.000 2.425 58 L HA 0.456 4.796 4.340 -0.000 0.000 0.225 58 L C 1.318 178.222 176.870 0.056 0.000 1.222 58 L CA 1.201 56.067 54.840 0.044 0.000 0.832 58 L CB -0.298 41.778 42.059 0.028 0.000 1.238 58 L HN 0.220 nan 8.230 nan 0.000 0.533 59 G N 0.410 109.280 108.800 0.116 0.000 2.641 59 G HA2 0.281 4.241 3.960 -0.000 0.000 0.310 59 G HA3 0.281 4.241 3.960 -0.000 0.000 0.310 59 G C -0.258 174.658 174.900 0.027 0.000 1.291 59 G CA 0.376 45.534 45.100 0.096 0.000 1.133 59 G HN 1.170 nan 8.290 nan 0.000 0.660 60 S N -2.028 113.679 115.700 0.012 0.000 2.851 60 S HA 0.801 5.271 4.470 -0.000 0.000 0.313 60 S C -0.081 174.505 174.600 -0.022 0.000 1.163 60 S CA -0.617 57.578 58.200 -0.009 0.000 0.850 60 S CB 1.497 64.692 63.200 -0.008 0.000 1.245 60 S HN 0.607 nan 8.310 nan 0.000 0.558 61 I N -1.142 119.411 120.570 -0.027 0.000 4.339 61 I HA 0.407 4.577 4.170 -0.000 0.000 0.228 61 I C -0.380 175.718 176.117 -0.031 0.000 0.920 61 I CA -0.841 60.438 61.300 -0.035 0.000 1.601 61 I CB 0.084 38.056 38.000 -0.045 0.000 1.165 61 I HN 0.721 nan 8.210 nan 0.000 0.377 62 D N 2.299 122.678 120.400 -0.035 0.000 2.846 62 D HA -0.218 4.421 4.640 -0.000 0.000 0.223 62 D C -0.185 176.102 176.300 -0.023 0.000 1.171 62 D CA 0.929 54.912 54.000 -0.029 0.000 0.627 62 D CB -0.360 40.424 40.800 -0.027 0.000 1.052 62 D HN 0.433 nan 8.370 nan 0.000 0.415 63 R N -0.722 119.765 120.500 -0.022 0.000 3.158 63 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 63 R C -0.695 175.597 176.300 -0.015 0.000 0.900 63 R CA 0.622 56.712 56.100 -0.017 0.000 0.618 63 R CB -1.522 28.768 30.300 -0.016 0.000 1.061 63 R HN 0.252 nan 8.270 nan 0.000 0.471 64 N N 1.069 119.761 118.700 -0.015 0.000 2.519 64 N HA 0.198 4.938 4.740 -0.000 0.000 0.286 64 N C 1.328 176.831 175.510 -0.011 0.000 1.079 64 N CA -0.610 52.432 53.050 -0.013 0.000 0.878 64 N CB 1.302 39.779 38.487 -0.016 0.000 1.375 64 N HN 0.006 nan 8.380 nan 0.000 0.514 65 L N 1.503 122.721 121.223 -0.010 0.000 2.156 65 L HA -0.322 4.018 4.340 -0.000 0.000 0.248 65 L C 0.583 177.448 176.870 -0.008 0.000 1.108 65 L CA 1.634 56.469 54.840 -0.007 0.000 0.842 65 L CB -0.694 41.360 42.059 -0.009 0.000 0.950 65 L HN 0.529 nan 8.230 nan 0.000 0.441 66 K N -0.458 119.934 120.400 -0.014 0.000 2.408 66 K HA -0.238 4.082 4.320 -0.000 0.000 0.247 66 K C -0.255 176.335 176.600 -0.017 0.000 1.048 66 K CA 0.503 56.778 56.287 -0.020 0.000 1.139 66 K CB -0.373 32.113 32.500 -0.024 0.000 0.732 66 K HN 0.441 nan 8.250 nan 0.000 0.474 67 c N 3.650 122.231 118.600 -0.030 0.000 3.090 67 c HA 0.108 4.678 4.570 -0.000 0.000 0.227 67 c C -0.832 173.178 174.090 -0.133 0.000 1.753 67 c CA -0.307 55.999 56.329 -0.037 0.000 1.152 67 c CB -0.900 41.633 42.510 0.039 0.000 2.036 67 c HN 1.034 nan 8.230 nan 0.000 0.610 68 Q N 0.239 119.975 119.800 -0.106 0.000 2.447 68 Q HA -0.161 4.179 4.340 -0.000 0.000 0.316 68 Q C 0.875 176.821 176.000 -0.091 0.000 1.448 68 Q CA 0.849 56.584 55.803 -0.114 0.000 0.804 68 Q CB -1.914 26.717 28.738 -0.178 0.000 1.107 68 Q HN 0.742 nan 8.270 nan 0.000 0.373 69 T N -3.027 111.491 114.554 -0.060 0.000 9.623 69 T HA -0.432 3.918 4.350 -0.000 0.000 0.404 69 T C 1.507 176.183 174.700 -0.040 0.000 1.555 69 T CA 1.846 63.920 62.100 -0.043 0.000 2.508 69 T CB -1.726 67.120 68.868 -0.038 0.000 2.913 69 T HN 1.023 nan 8.240 nan 0.000 1.192 70 C N 2.721 121.986 119.300 -0.058 0.000 2.388 70 C HA -0.127 4.332 4.460 -0.000 0.000 0.299 70 C C 2.021 177.004 174.990 -0.012 0.000 1.390 70 C CA 1.680 60.674 59.018 -0.041 0.000 1.808 70 C CB -2.023 25.675 27.740 -0.070 0.000 1.831 70 C HN 0.927 nan 8.230 nan 0.000 0.548 71 Q N -0.539 119.252 119.800 -0.015 0.000 1.890 71 Q HA -0.426 3.914 4.340 -0.000 0.000 0.435 71 Q C 0.813 176.818 176.000 0.007 0.000 0.839 71 Q CA 2.136 57.936 55.803 -0.006 0.000 0.778 71 Q CB -1.380 27.353 28.738 -0.009 0.000 3.954 71 Q HN 0.516 nan 8.270 nan 0.000 0.790 72 E N -1.534 118.668 120.200 0.004 0.000 5.003 72 E HA -0.285 4.065 4.350 -0.000 0.000 0.166 72 E C 0.860 177.464 176.600 0.007 0.000 1.244 72 E CA 2.773 59.178 56.400 0.008 0.000 2.281 72 E CB -2.121 27.589 29.700 0.017 0.000 1.825 72 E HN 1.878 nan 8.360 nan 0.000 0.420 73 G N 1.468 110.275 108.800 0.012 0.000 2.915 73 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 73 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 73 G C 0.800 175.703 174.900 0.005 0.000 1.414 73 G CA 1.460 46.565 45.100 0.007 0.000 1.053 73 G HN 0.337 nan 8.290 nan 0.000 0.598 74 M N 0.073 119.675 119.600 0.003 0.000 7.287 74 M HA -0.371 4.109 4.480 -0.000 0.000 0.300 74 M C 1.383 177.680 176.300 -0.004 0.000 0.479 74 M CA 2.476 57.773 55.300 -0.005 0.000 1.306 74 M CB -1.118 31.475 32.600 -0.012 0.000 0.463 74 M HN 0.919 nan 8.290 nan 0.000 0.629 75 N N 1.489 120.185 118.700 -0.007 0.000 2.400 75 N HA 0.095 4.835 4.740 -0.000 0.000 0.267 75 N C 0.155 175.664 175.510 -0.002 0.000 1.208 75 N CA 1.375 54.421 53.050 -0.007 0.000 0.951 75 N CB 1.082 39.563 38.487 -0.009 0.000 1.227 75 N HN 0.565 nan 8.380 nan 0.000 0.488 76 E N 1.824 122.023 120.200 -0.001 0.000 2.930 76 E HA -0.150 4.200 4.350 -0.000 0.000 0.213 76 E C -1.044 175.563 176.600 0.012 0.000 0.541 76 E CA 0.069 56.471 56.400 0.004 0.000 2.283 76 E CB -1.428 28.276 29.700 0.007 0.000 2.870 76 E HN 0.428 nan 8.360 nan 0.000 0.680 77 c N 5.161 123.774 118.600 0.021 0.000 2.135 77 c HA 0.636 5.206 4.570 -0.000 0.000 0.345 77 c C -1.680 172.395 174.090 -0.026 0.000 1.067 77 c CA -1.540 54.819 56.329 0.049 0.000 1.517 77 c CB -0.722 41.858 42.510 0.117 0.000 1.923 77 c HN 0.332 nan 8.230 nan 0.000 0.466 78 P HA 0.230 nan 4.420 nan 0.000 0.280 78 P C 0.468 177.602 177.300 -0.278 0.000 1.278 78 P CA 0.305 63.327 63.100 -0.129 0.000 0.787 78 P CB 0.516 32.152 31.700 -0.106 0.000 1.163 79 G N -0.925 107.738 108.800 -0.228 0.000 2.634 79 G HA2 0.206 4.166 3.960 -0.000 0.000 0.255 79 G HA3 0.206 4.166 3.960 -0.000 0.000 0.255 79 G C -0.484 174.132 174.900 -0.472 0.000 1.205 79 G CA -0.297 44.639 45.100 -0.274 0.000 0.884 79 G HN 0.601 nan 8.290 nan 0.000 0.549 80 H N 0.655 119.746 119.070 0.036 0.000 2.866 80 H HA 0.201 4.756 4.556 -0.000 0.000 0.287 80 H C -0.384 175.008 175.328 0.106 0.000 1.106 80 H CA -0.733 55.373 56.048 0.096 0.000 1.396 80 H CB 0.527 30.315 29.762 0.045 0.000 1.469 80 H HN 0.248 nan 8.280 nan 0.000 0.500 81 F N 1.455 121.427 119.950 0.036 0.000 2.647 81 F HA 0.108 4.635 4.527 -0.000 0.000 0.363 81 F C 1.576 177.386 175.800 0.017 0.000 1.130 81 F CA 1.261 59.265 58.000 0.008 0.000 1.351 81 F CB 0.551 39.526 39.000 -0.043 0.000 1.026 81 F HN 0.526 nan 8.300 nan 0.000 0.607 82 G N 0.786 109.661 108.800 0.124 0.000 2.714 82 G HA2 0.638 4.597 3.960 -0.000 0.000 0.292 82 G HA3 0.638 4.597 3.960 -0.000 0.000 0.292 82 G C -1.558 173.462 174.900 0.201 0.000 1.308 82 G CA -0.714 44.463 45.100 0.127 0.000 0.964 82 G HN 0.887 nan 8.290 nan 0.000 0.484 83 H N -2.299 116.784 119.070 0.020 0.000 2.949 83 H HA 0.812 5.368 4.556 -0.000 0.000 0.310 83 H C -1.424 173.903 175.328 -0.002 0.000 1.405 83 H CA -1.271 54.778 56.048 0.003 0.000 1.253 83 H CB 2.605 32.363 29.762 -0.007 0.000 1.932 83 H HN 0.541 nan 8.280 nan 0.000 0.602 84 I N 2.058 122.443 120.570 -0.308 0.000 2.606 84 I HA 0.041 4.211 4.170 -0.000 0.000 0.275 84 I C -1.344 174.604 176.117 -0.282 0.000 1.220 84 I CA -0.553 60.543 61.300 -0.339 0.000 1.098 84 I CB 1.088 39.000 38.000 -0.146 0.000 1.321 84 I HN 0.698 nan 8.210 nan 0.000 0.468 85 D N 8.069 128.253 120.400 -0.360 0.000 2.570 85 D HA 0.073 4.713 4.640 -0.000 0.000 0.243 85 D C 0.608 176.853 176.300 -0.092 0.000 1.171 85 D CA 0.598 54.498 54.000 -0.167 0.000 0.879 85 D CB 0.999 41.726 40.800 -0.121 0.000 1.143 85 D HN 0.425 nan 8.370 nan 0.000 0.511 86 L N 1.229 122.421 121.223 -0.051 0.000 2.425 86 L HA 0.093 4.433 4.340 -0.000 0.000 0.225 86 L C 1.780 178.639 176.870 -0.018 0.000 1.222 86 L CA -0.313 54.509 54.840 -0.030 0.000 0.832 86 L CB 0.143 42.196 42.059 -0.010 0.000 1.238 86 L HN 0.418 nan 8.230 nan 0.000 0.533 87 A N -0.223 122.591 122.820 -0.011 0.000 1.909 87 A HA 0.190 4.510 4.320 -0.000 0.000 0.210 87 A C 0.660 178.243 177.584 -0.002 0.000 1.273 87 A CA 0.683 52.717 52.037 -0.004 0.000 0.654 87 A CB 0.231 19.227 19.000 -0.006 0.000 0.945 87 A HN 0.635 nan 8.150 nan 0.000 0.471 88 K N 0.238 120.634 120.400 -0.007 0.000 2.422 88 K HA 0.414 4.734 4.320 -0.000 0.000 0.251 88 K C -2.959 173.632 176.600 -0.016 0.000 0.933 88 K CA -2.426 53.855 56.287 -0.011 0.000 0.798 88 K CB 2.116 34.605 32.500 -0.019 0.000 1.238 88 K HN 0.092 nan 8.250 nan 0.000 0.428 89 P HA -0.093 nan 4.420 nan 0.000 0.264 89 P C -0.686 176.582 177.300 -0.055 0.000 1.173 89 P CA 0.099 63.193 63.100 -0.011 0.000 0.761 89 P CB 0.460 32.157 31.700 -0.005 0.000 0.794 90 V N 3.252 123.155 119.914 -0.018 0.000 2.962 90 V HA 0.343 4.463 4.120 -0.000 0.000 0.313 90 V C 0.464 176.623 176.094 0.108 0.000 1.099 90 V CA -0.711 61.565 62.300 -0.040 0.000 0.971 90 V CB 1.576 33.409 31.823 0.015 0.000 1.028 90 V HN 0.311 nan 8.190 nan 0.000 0.430 91 F N 1.136 121.113 119.950 0.045 0.000 2.408 91 F HA 0.290 4.817 4.527 -0.000 0.000 0.303 91 F C 0.958 176.819 175.800 0.102 0.000 1.268 91 F CA -0.395 57.641 58.000 0.059 0.000 1.218 91 F CB 0.023 39.049 39.000 0.043 0.000 1.283 91 F HN 0.572 nan 8.300 nan 0.000 0.545 92 H N 0.796 119.971 119.070 0.175 0.000 2.530 92 H HA 0.343 4.899 4.556 -0.000 0.000 0.246 92 H C 0.750 175.991 175.328 -0.144 0.000 1.346 92 H CA -0.473 55.538 56.048 -0.062 0.000 1.424 92 H CB 0.431 30.053 29.762 -0.234 0.000 1.445 92 H HN 0.434 nan 8.280 nan 0.000 0.511 93 V N 2.638 122.491 119.914 -0.101 0.000 2.406 93 V HA -0.439 3.681 4.120 -0.000 0.000 0.243 93 V C 2.296 178.213 176.094 -0.296 0.000 1.103 93 V CA 2.402 64.604 62.300 -0.163 0.000 1.094 93 V CB -1.496 30.241 31.823 -0.143 0.000 0.922 93 V HN 0.751 nan 8.190 nan 0.000 0.467 94 G N -2.137 106.235 108.800 -0.713 0.000 2.511 94 G HA2 0.038 3.997 3.960 -0.000 0.000 0.217 94 G HA3 0.038 3.997 3.960 -0.000 0.000 0.217 94 G C 1.330 176.073 174.900 -0.262 0.000 1.133 94 G CA 0.636 45.391 45.100 -0.576 0.000 0.792 94 G HN 0.586 nan 8.290 nan 0.000 0.539 95 F N 0.085 119.767 119.950 -0.447 0.000 2.473 95 F HA 0.179 4.706 4.527 -0.000 0.000 0.294 95 F C 2.440 178.115 175.800 -0.208 0.000 1.103 95 F CA -0.515 57.353 58.000 -0.221 0.000 1.442 95 F CB 0.057 39.016 39.000 -0.068 0.000 1.097 95 F HN 0.009 nan 8.300 nan 0.000 0.547 96 I N 1.050 121.573 120.570 -0.079 0.000 2.267 96 I HA -0.517 3.653 4.170 -0.000 0.000 0.239 96 I C 2.742 178.761 176.117 -0.164 0.000 0.984 96 I CA 1.632 62.767 61.300 -0.276 0.000 1.272 96 I CB -0.869 37.022 38.000 -0.180 0.000 0.976 96 I HN 0.168 nan 8.210 nan 0.000 0.407 97 A N 0.143 122.921 122.820 -0.070 0.000 1.894 97 A HA -0.357 3.963 4.320 -0.000 0.000 0.220 97 A C 2.328 179.889 177.584 -0.039 0.000 1.237 97 A CA 2.655 54.665 52.037 -0.045 0.000 0.660 97 A CB -0.773 18.210 19.000 -0.029 0.000 0.835 97 A HN 0.444 nan 8.150 nan 0.000 0.461 98 K N -1.008 119.369 120.400 -0.039 0.000 1.973 98 K HA -0.022 4.298 4.320 -0.000 0.000 0.210 98 K C 1.984 178.625 176.600 0.069 0.000 1.045 98 K CA 1.364 57.647 56.287 -0.007 0.000 0.937 98 K CB -0.456 31.956 32.500 -0.146 0.000 0.721 98 K HN 0.550 nan 8.250 nan 0.000 0.438 99 I N 1.795 122.361 120.570 -0.008 0.000 2.161 99 I HA -0.444 3.726 4.170 -0.000 0.000 0.246 99 I C 2.695 178.880 176.117 0.115 0.000 1.048 99 I CA 1.580 62.874 61.300 -0.010 0.000 1.314 99 I CB -0.478 37.313 38.000 -0.349 0.000 1.014 99 I HN 0.301 nan 8.210 nan 0.000 0.418 100 K N 1.826 122.234 120.400 0.014 0.000 1.973 100 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 100 K C 1.962 178.682 176.600 0.201 0.000 1.045 100 K CA 1.614 57.952 56.287 0.086 0.000 0.937 100 K CB -0.261 32.259 32.500 0.034 0.000 0.721 100 K HN 0.240 nan 8.250 nan 0.000 0.438 101 K N 0.706 121.220 120.400 0.190 0.000 2.362 101 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 101 K C 1.950 178.806 176.600 0.426 0.000 1.045 101 K CA 0.969 57.422 56.287 0.278 0.000 0.936 101 K CB 0.037 32.461 32.500 -0.127 0.000 0.747 101 K HN 0.046 nan 8.250 nan 0.000 0.467 102 V N 0.029 120.175 119.914 0.386 0.000 2.379 102 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 102 V C 2.306 178.519 176.094 0.197 0.000 1.035 102 V CA 1.188 63.699 62.300 0.351 0.000 1.035 102 V CB -0.183 31.820 31.823 0.301 0.000 0.673 102 V HN 0.399 nan 8.190 nan 0.000 0.457 103 C N 0.346 119.786 119.300 0.235 0.000 2.401 103 C HA -0.184 4.276 4.460 -0.000 0.000 0.276 103 C C 2.541 177.597 174.990 0.108 0.000 1.233 103 C CA 1.133 60.242 59.018 0.153 0.000 1.753 103 C CB -1.098 26.772 27.740 0.217 0.000 2.029 103 C HN 0.607 nan 8.230 nan 0.000 0.478 104 E N -1.083 119.213 120.200 0.160 0.000 2.463 104 E HA -0.169 4.181 4.350 -0.000 0.000 0.201 104 E C 1.725 178.355 176.600 0.049 0.000 1.045 104 E CA 0.790 57.247 56.400 0.095 0.000 0.872 104 E CB -0.096 29.700 29.700 0.161 0.000 0.797 104 E HN 0.704 nan 8.360 nan 0.000 0.538 105 C N 0.117 119.483 119.300 0.110 0.000 2.865 105 C HA 0.213 4.673 4.460 -0.000 0.000 0.280 105 C C 0.620 175.622 174.990 0.020 0.000 1.255 105 C CA -0.375 58.688 59.018 0.075 0.000 1.705 105 C CB 0.354 28.196 27.740 0.171 0.000 2.080 105 C HN -0.010 nan 8.230 nan 0.000 0.591 106 V N -0.460 119.452 119.914 -0.003 0.000 2.971 106 V HA 0.372 4.492 4.120 -0.000 0.000 0.309 106 V C -0.639 175.446 176.094 -0.014 0.000 1.130 106 V CA -0.717 61.561 62.300 -0.036 0.000 0.964 106 V CB 1.656 33.411 31.823 -0.113 0.000 1.029 106 V HN 0.295 nan 8.190 nan 0.000 0.427 107 C N 6.059 125.364 119.300 0.008 0.000 2.370 107 C HA 0.664 5.124 4.460 -0.000 0.000 0.354 107 C C 0.740 175.755 174.990 0.041 0.000 1.218 107 C CA -0.696 58.352 59.018 0.049 0.000 2.154 107 C CB 0.617 28.410 27.740 0.088 0.000 2.391 107 C HN 0.834 nan 8.230 nan 0.000 0.540 108 M N 3.899 123.516 119.600 0.028 0.000 1.738 108 M HA 0.294 4.774 4.480 -0.000 0.000 0.184 108 M C 1.425 177.700 176.300 -0.042 0.000 1.265 108 M CA 0.566 55.825 55.300 -0.069 0.000 0.834 108 M CB -0.935 31.543 32.600 -0.202 0.000 1.163 108 M HN 0.905 nan 8.290 nan 0.000 0.436 109 H N -1.009 118.120 119.070 0.097 0.000 4.884 109 H HA -0.227 4.329 4.556 -0.000 0.000 0.061 109 H C 1.704 177.061 175.328 0.049 0.000 0.590 109 H CA 2.520 58.607 56.048 0.066 0.000 0.961 109 H CB -1.668 28.122 29.762 0.047 0.000 0.443 109 H HN 0.877 nan 8.280 nan 0.000 0.794 110 C N 1.407 120.804 119.300 0.162 0.000 2.689 110 C HA 0.640 5.100 4.460 -0.000 0.000 0.336 110 C C 1.537 176.548 174.990 0.034 0.000 1.304 110 C CA 1.308 60.364 59.018 0.063 0.000 1.860 110 C CB 0.014 27.780 27.740 0.043 0.000 2.405 110 C HN 1.439 nan 8.230 nan 0.000 0.557 111 G N 1.944 110.767 108.800 0.039 0.000 2.487 111 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.243 111 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.243 111 G C -0.623 174.255 174.900 -0.037 0.000 0.918 111 G CA 0.754 45.854 45.100 -0.000 0.000 1.260 111 G HN 1.102 nan 8.290 nan 0.000 0.408 112 K N 1.196 121.572 120.400 -0.040 0.000 2.607 112 K HA 0.530 4.850 4.320 -0.000 0.000 0.287 112 K C 0.657 177.235 176.600 -0.037 0.000 0.996 112 K CA -1.258 54.998 56.287 -0.050 0.000 0.876 112 K CB 1.113 33.591 32.500 -0.036 0.000 1.496 112 K HN 0.312 nan 8.250 nan 0.000 0.415 113 L N 2.235 123.438 121.223 -0.034 0.000 2.477 113 L HA -0.062 4.278 4.340 -0.000 0.000 0.289 113 L C 0.830 177.698 176.870 -0.004 0.000 1.279 113 L CA 0.468 55.299 54.840 -0.015 0.000 0.825 113 L CB 0.126 42.179 42.059 -0.009 0.000 1.085 113 L HN 0.565 nan 8.230 nan 0.000 0.548 114 L N 2.608 123.830 121.223 -0.001 0.000 2.959 114 L HA 0.360 4.700 4.340 -0.000 0.000 0.259 114 L C -0.534 176.337 176.870 0.003 0.000 1.185 114 L CA 0.032 54.872 54.840 0.001 0.000 0.998 114 L CB 0.080 42.133 42.059 -0.010 0.000 1.337 114 L HN 0.381 nan 8.230 nan 0.000 0.555 115 L N 0.167 121.394 121.223 0.007 0.000 2.752 115 L HA 0.352 4.692 4.340 -0.000 0.000 0.257 115 L C -1.179 175.695 176.870 0.007 0.000 0.968 115 L CA -0.353 54.494 54.840 0.011 0.000 0.953 115 L CB 2.155 44.213 42.059 -0.001 0.000 1.286 115 L HN -0.042 nan 8.230 nan 0.000 0.443 116 D N 1.262 121.674 120.400 0.020 0.000 2.423 116 D HA 0.139 4.779 4.640 -0.000 0.000 0.255 116 D C 0.806 177.043 176.300 -0.106 0.000 1.174 116 D CA -0.389 53.580 54.000 -0.053 0.000 1.008 116 D CB 1.410 42.169 40.800 -0.067 0.000 1.101 116 D HN 0.466 nan 8.370 nan 0.000 0.516 117 E N -0.266 119.804 120.200 -0.217 0.000 2.284 117 E HA -0.223 4.126 4.350 -0.000 0.000 0.200 117 E C 1.620 178.137 176.600 -0.139 0.000 1.008 117 E CA 1.226 57.516 56.400 -0.182 0.000 0.829 117 E CB -0.167 29.400 29.700 -0.222 0.000 0.744 117 E HN 0.386 nan 8.360 nan 0.000 0.491 118 H N 0.260 119.328 119.070 -0.004 0.000 2.290 118 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 118 H C 1.065 176.390 175.328 -0.005 0.000 1.087 118 H CA 1.080 57.125 56.048 -0.005 0.000 1.291 118 H CB -0.579 29.179 29.762 -0.007 0.000 1.369 118 H HN 0.124 nan 8.280 nan 0.000 0.492 119 N N 1.741 120.506 118.700 0.108 0.000 2.452 119 N HA -0.088 4.652 4.740 -0.000 0.000 0.266 119 N C 1.173 176.700 175.510 0.028 0.000 1.175 119 N CA 0.224 53.306 53.050 0.053 0.000 0.945 119 N CB 1.270 39.776 38.487 0.033 0.000 1.063 119 N HN 0.417 nan 8.380 nan 0.000 0.472 120 E N 3.904 124.118 120.200 0.024 0.000 2.106 120 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 120 E C 1.568 178.173 176.600 0.007 0.000 0.984 120 E CA 0.710 57.119 56.400 0.014 0.000 0.806 120 E CB 0.095 29.803 29.700 0.014 0.000 0.750 120 E HN 0.675 nan 8.360 nan 0.000 0.458 121 L N 0.351 121.576 121.223 0.004 0.000 2.261 121 L HA -0.194 4.146 4.340 -0.000 0.000 0.216 121 L C 2.511 179.381 176.870 -0.000 0.000 1.114 121 L CA 0.694 55.534 54.840 -0.000 0.000 0.777 121 L CB -0.207 41.848 42.059 -0.007 0.000 0.910 121 L HN 0.367 nan 8.230 nan 0.000 0.440 122 M N -0.308 119.293 119.600 0.001 0.000 2.193 122 M HA -0.111 4.369 4.480 -0.000 0.000 0.265 122 M C 2.236 178.538 176.300 0.002 0.000 1.071 122 M CA 1.591 56.892 55.300 0.001 0.000 1.140 122 M CB -0.216 32.383 32.600 -0.002 0.000 1.369 122 M HN -0.034 nan 8.290 nan 0.000 0.423 123 R N -0.159 120.341 120.500 -0.001 0.000 2.143 123 R HA -0.258 4.082 4.340 -0.000 0.000 0.239 123 R C 2.224 178.528 176.300 0.006 0.000 1.126 123 R CA 2.462 58.561 56.100 -0.001 0.000 0.927 123 R CB -1.020 29.280 30.300 -0.001 0.000 0.860 123 R HN 0.570 nan 8.270 nan 0.000 0.433 124 Q N -0.291 119.514 119.800 0.008 0.000 2.217 124 Q HA -0.154 4.186 4.340 -0.000 0.000 0.209 124 Q C 1.748 177.759 176.000 0.018 0.000 0.988 124 Q CA 1.533 57.344 55.803 0.013 0.000 0.878 124 Q CB -0.114 28.631 28.738 0.011 0.000 0.909 124 Q HN 0.429 nan 8.270 nan 0.000 0.424 125 A N -0.211 122.620 122.820 0.018 0.000 2.278 125 A HA 0.142 4.462 4.320 -0.000 0.000 0.212 125 A C 1.325 178.930 177.584 0.034 0.000 1.213 125 A CA 0.160 52.212 52.037 0.026 0.000 0.840 125 A CB 0.146 19.160 19.000 0.022 0.000 0.866 125 A HN 0.248 nan 8.150 nan 0.000 0.489 126 L N -2.129 119.111 121.223 0.027 0.000 2.858 126 L HA 0.267 4.607 4.340 -0.000 0.000 0.251 126 L C 2.015 178.902 176.870 0.028 0.000 1.149 126 L CA 0.646 55.504 54.840 0.030 0.000 0.955 126 L CB 0.456 42.525 42.059 0.016 0.000 1.289 126 L HN 0.351 nan 8.230 nan 0.000 0.542 127 A N -0.111 122.725 122.820 0.027 0.000 2.035 127 A HA 0.278 4.598 4.320 -0.000 0.000 0.208 127 A C 1.086 178.689 177.584 0.032 0.000 1.206 127 A CA -0.123 51.930 52.037 0.026 0.000 0.773 127 A CB 0.103 19.116 19.000 0.020 0.000 0.878 127 A HN 0.182 nan 8.150 nan 0.000 0.469 128 I N 2.167 122.759 120.570 0.036 0.000 2.872 128 I HA -0.081 4.089 4.170 -0.000 0.000 0.287 128 I C -0.243 175.902 176.117 0.046 0.000 1.197 128 I CA 0.562 61.886 61.300 0.040 0.000 1.390 128 I CB 0.262 38.288 38.000 0.044 0.000 1.400 128 I HN 0.212 nan 8.210 nan 0.000 0.544 129 K N 6.591 127.017 120.400 0.042 0.000 2.231 129 K HA 0.254 4.573 4.320 -0.000 0.000 0.275 129 K C -0.642 175.986 176.600 0.046 0.000 1.105 129 K CA -0.190 56.124 56.287 0.044 0.000 0.931 129 K CB 0.473 32.996 32.500 0.038 0.000 1.296 129 K HN 0.447 nan 8.250 nan 0.000 0.446 130 D N 1.438 121.870 120.400 0.053 0.000 2.732 130 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 130 D C 0.933 177.270 176.300 0.061 0.000 1.342 130 D CA 0.088 54.119 54.000 0.051 0.000 1.190 130 D CB 0.287 41.116 40.800 0.049 0.000 1.406 130 D HN 0.423 nan 8.370 nan 0.000 0.597 131 S N 1.811 117.543 115.700 0.054 0.000 2.461 131 S HA -0.365 4.105 4.470 -0.000 0.000 0.266 131 S C 1.699 176.345 174.600 0.076 0.000 1.138 131 S CA 1.393 59.625 58.200 0.054 0.000 1.146 131 S CB -0.239 62.959 63.200 -0.004 0.000 1.042 131 S HN 0.505 nan 8.310 nan 0.000 0.448 132 K N 1.135 121.565 120.400 0.050 0.000 2.152 132 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 132 K C 2.308 178.971 176.600 0.105 0.000 1.048 132 K CA 1.551 57.879 56.287 0.067 0.000 0.933 132 K CB -0.151 32.370 32.500 0.035 0.000 0.721 132 K HN 0.530 nan 8.250 nan 0.000 0.447 133 K N -0.250 120.205 120.400 0.091 0.000 2.334 133 K HA 0.077 4.396 4.320 -0.000 0.000 0.195 133 K C 1.989 178.647 176.600 0.096 0.000 1.045 133 K CA 0.074 56.411 56.287 0.084 0.000 1.004 133 K CB 0.300 32.836 32.500 0.061 0.000 0.837 133 K HN 0.024 nan 8.250 nan 0.000 0.510 134 R N 0.473 121.046 120.500 0.121 0.000 2.070 134 R HA -0.074 4.266 4.340 -0.000 0.000 0.227 134 R C 1.998 178.391 176.300 0.156 0.000 1.147 134 R CA 1.564 57.739 56.100 0.127 0.000 0.924 134 R CB -0.539 29.848 30.300 0.146 0.000 0.827 134 R HN 0.091 nan 8.270 nan 0.000 0.431 135 F N 1.285 121.280 119.950 0.075 0.000 2.411 135 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 135 F C 1.633 177.494 175.800 0.102 0.000 1.077 135 F CA 1.071 59.127 58.000 0.094 0.000 1.439 135 F CB 0.038 39.073 39.000 0.059 0.000 1.085 135 F HN 0.038 nan 8.300 nan 0.000 0.564 136 A N -1.237 121.595 122.820 0.020 0.000 2.348 136 A HA 0.590 4.910 4.320 -0.000 0.000 0.224 136 A C 1.838 179.451 177.584 0.048 0.000 1.227 136 A CA 0.603 52.633 52.037 -0.012 0.000 0.885 136 A CB -0.581 18.448 19.000 0.049 0.000 0.933 136 A HN 0.364 nan 8.150 nan 0.000 0.506 137 A N -0.363 122.480 122.820 0.038 0.000 1.999 137 A HA 0.343 4.663 4.320 -0.000 0.000 0.200 137 A C 1.771 179.366 177.584 0.020 0.000 1.363 137 A CA 0.501 52.561 52.037 0.039 0.000 0.844 137 A CB -0.302 18.720 19.000 0.037 0.000 0.954 137 A HN 0.274 nan 8.150 nan 0.000 0.481 138 I N -1.505 119.075 120.570 0.017 0.000 2.069 138 I HA -0.319 3.851 4.170 -0.000 0.000 0.237 138 I C 2.424 178.533 176.117 -0.015 0.000 1.053 138 I CA 2.090 63.396 61.300 0.009 0.000 1.311 138 I CB -0.409 37.618 38.000 0.044 0.000 1.030 138 I HN 0.693 nan 8.210 nan 0.000 0.398 139 W N 1.915 123.035 121.300 -0.299 0.000 2.302 139 W HA -0.310 4.350 4.660 -0.000 0.000 0.320 139 W C 2.674 179.082 176.519 -0.185 0.000 1.241 139 W CA 2.671 59.824 57.345 -0.320 0.000 1.264 139 W CB -0.784 28.338 29.460 -0.563 0.000 1.154 139 W HN 0.035 nan 8.180 nan 0.000 0.483 140 T N 1.246 115.775 114.554 -0.041 0.000 2.849 140 T HA -0.224 4.126 4.350 -0.000 0.000 0.270 140 T C 1.867 176.423 174.700 -0.239 0.000 1.066 140 T CA 1.663 63.640 62.100 -0.204 0.000 1.130 140 T CB -0.420 68.444 68.868 -0.007 0.000 0.864 140 T HN 0.196 nan 8.240 nan 0.000 0.481 141 L N 0.630 121.758 121.223 -0.158 0.000 2.127 141 L HA 0.005 4.345 4.340 -0.000 0.000 0.203 141 L C 2.327 179.104 176.870 -0.154 0.000 1.080 141 L CA 0.922 55.686 54.840 -0.127 0.000 0.768 141 L CB -0.285 41.734 42.059 -0.067 0.000 0.924 141 L HN 0.437 nan 8.230 nan 0.000 0.444 142 C N -1.962 117.231 119.300 -0.177 0.000 2.855 142 C HA 0.126 4.586 4.460 -0.000 0.000 0.279 142 C C 2.214 177.061 174.990 -0.240 0.000 1.270 142 C CA -0.711 58.211 59.018 -0.161 0.000 1.702 142 C CB -1.316 26.369 27.740 -0.091 0.000 1.949 142 C HN 0.462 nan 8.230 nan 0.000 0.618 143 K N 1.470 121.618 120.400 -0.420 0.000 2.288 143 K HA -0.028 4.292 4.320 -0.000 0.000 0.201 143 K C 1.489 177.898 176.600 -0.319 0.000 1.048 143 K CA 1.617 57.596 56.287 -0.513 0.000 0.956 143 K CB -0.494 31.397 32.500 -1.015 0.000 0.746 143 K HN 0.333 nan 8.250 nan 0.000 0.461 144 T N 1.059 115.459 114.554 -0.257 0.000 2.781 144 T HA 0.007 4.357 4.350 -0.000 0.000 0.252 144 T C 0.264 174.892 174.700 -0.121 0.000 1.039 144 T CA 0.506 62.502 62.100 -0.173 0.000 1.147 144 T CB 0.021 68.801 68.868 -0.146 0.000 0.865 144 T HN 0.176 nan 8.240 nan 0.000 0.423 145 K N 1.755 122.093 120.400 -0.103 0.000 2.472 145 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 145 K C -0.107 176.456 176.600 -0.060 0.000 1.028 145 K CA 0.502 56.749 56.287 -0.067 0.000 1.045 145 K CB 0.270 32.739 32.500 -0.052 0.000 0.902 145 K HN 0.329 nan 8.250 nan 0.000 0.478 146 M N 2.823 122.398 119.600 -0.041 0.000 2.785 146 M HA 0.159 4.639 4.480 -0.000 0.000 0.374 146 M C -1.082 175.224 176.300 0.010 0.000 1.221 146 M CA -0.283 55.000 55.300 -0.028 0.000 0.912 146 M CB 0.999 33.572 32.600 -0.045 0.000 1.355 146 M HN 0.084 nan 8.290 nan 0.000 0.513 147 V N 0.223 120.145 119.914 0.013 0.000 2.532 147 V HA 0.131 4.251 4.120 -0.000 0.000 0.294 147 V C -0.347 175.764 176.094 0.028 0.000 1.036 147 V CA -1.150 61.168 62.300 0.031 0.000 0.876 147 V CB 2.024 33.859 31.823 0.020 0.000 1.012 147 V HN 0.495 nan 8.190 nan 0.000 0.432 148 C N 6.139 125.466 119.300 0.046 0.000 3.155 148 C HA 0.156 4.616 4.460 -0.000 0.000 0.476 148 C C 1.103 176.109 174.990 0.026 0.000 1.027 148 C CA -0.406 58.636 59.018 0.040 0.000 1.093 148 C CB -2.038 25.739 27.740 0.061 0.000 1.497 148 C HN 0.886 nan 8.230 nan 0.000 0.586 149 E N 2.476 122.686 120.200 0.017 0.000 2.760 149 E HA -0.086 4.264 4.350 -0.000 0.000 0.268 149 E C 1.008 177.611 176.600 0.006 0.000 0.935 149 E CA 0.623 57.028 56.400 0.008 0.000 0.960 149 E CB 0.544 30.247 29.700 0.005 0.000 0.931 149 E HN 0.666 nan 8.360 nan 0.000 0.483 150 T N 1.658 116.210 114.554 -0.004 0.000 2.971 150 T HA 0.046 4.396 4.350 -0.000 0.000 0.252 150 T C -0.466 174.219 174.700 -0.025 0.000 1.022 150 T CA 0.039 62.133 62.100 -0.009 0.000 0.980 150 T CB 0.419 69.281 68.868 -0.010 0.000 1.044 150 T HN 0.364 nan 8.240 nan 0.000 0.501 151 D N 1.026 121.407 120.400 -0.032 0.000 2.970 151 D HA 0.501 5.141 4.640 -0.000 0.000 0.230 151 D C -1.152 175.113 176.300 -0.057 0.000 1.276 151 D CA -0.187 53.782 54.000 -0.053 0.000 0.910 151 D CB 2.812 43.587 40.800 -0.043 0.000 1.590 151 D HN -0.027 nan 8.370 nan 0.000 0.551 152 V N 1.689 121.547 119.914 -0.092 0.000 2.962 152 V HA 0.481 4.601 4.120 -0.000 0.000 0.313 152 V C -2.407 173.630 176.094 -0.096 0.000 1.099 152 V CA -1.854 60.398 62.300 -0.080 0.000 0.971 152 V CB 2.603 34.386 31.823 -0.067 0.000 1.028 152 V HN 0.352 nan 8.190 nan 0.000 0.430 153 P HA 0.133 nan 4.420 nan 0.000 0.269 153 P C 0.320 177.595 177.300 -0.042 0.000 1.263 153 P CA 0.216 63.288 63.100 -0.046 0.000 0.813 153 P CB 0.647 32.332 31.700 -0.025 0.000 0.868 154 S N 3.409 119.073 115.700 -0.059 0.000 2.700 154 S HA -0.055 4.414 4.470 -0.000 0.000 0.250 154 S C 1.021 175.627 174.600 0.010 0.000 1.355 154 S CA -0.187 57.996 58.200 -0.028 0.000 0.970 154 S CB -0.334 62.843 63.200 -0.038 0.000 0.975 154 S HN 0.450 nan 8.310 nan 0.000 0.563 155 E N 1.278 121.495 120.200 0.029 0.000 2.461 155 E HA 0.089 4.439 4.350 -0.000 0.000 0.196 155 E C -0.209 176.399 176.600 0.013 0.000 1.129 155 E CA 0.220 56.636 56.400 0.026 0.000 0.902 155 E CB -0.292 29.428 29.700 0.033 0.000 0.963 155 E HN 0.439 nan 8.360 nan 0.000 0.503 156 D N 0.031 120.434 120.400 0.005 0.000 3.368 156 D HA 0.100 4.740 4.640 -0.000 0.000 0.189 156 D C -0.046 176.252 176.300 -0.003 0.000 1.279 156 D CA -0.521 53.480 54.000 0.001 0.000 1.206 156 D CB -0.032 40.767 40.800 -0.002 0.000 1.136 156 D HN -0.141 nan 8.370 nan 0.000 0.490 157 D N 1.658 122.054 120.400 -0.006 0.000 2.389 157 D HA 0.106 4.746 4.640 -0.000 0.000 0.247 157 D C -1.365 174.928 176.300 -0.011 0.000 1.128 157 D CA -0.952 53.043 54.000 -0.008 0.000 0.884 157 D CB 1.581 42.376 40.800 -0.008 0.000 1.194 157 D HN 0.050 nan 8.370 nan 0.000 0.441 158 P HA -0.036 nan 4.420 nan 0.000 0.241 158 P C 0.956 178.248 177.300 -0.014 0.000 1.191 158 P CA 0.508 63.601 63.100 -0.012 0.000 0.771 158 P CB 0.485 32.180 31.700 -0.009 0.000 0.929 159 T N -0.317 114.230 114.554 -0.013 0.000 2.770 159 T HA -0.055 4.295 4.350 -0.000 0.000 0.258 159 T C 1.021 175.711 174.700 -0.016 0.000 1.039 159 T CA 0.865 62.957 62.100 -0.013 0.000 1.143 159 T CB -0.431 68.431 68.868 -0.010 0.000 0.866 159 T HN 0.285 nan 8.240 nan 0.000 0.428 160 Q N 1.281 121.070 119.800 -0.018 0.000 2.296 160 Q HA 0.425 4.765 4.340 -0.000 0.000 0.262 160 Q C -0.968 175.013 176.000 -0.032 0.000 0.981 160 Q CA -0.005 55.785 55.803 -0.023 0.000 0.905 160 Q CB 0.680 29.405 28.738 -0.021 0.000 1.186 160 Q HN 0.420 nan 8.270 nan 0.000 0.399 161 L N 2.959 124.161 121.223 -0.036 0.000 2.296 161 L HA 0.499 4.839 4.340 -0.000 0.000 0.286 161 L C -0.386 176.447 176.870 -0.062 0.000 1.023 161 L CA -0.954 53.857 54.840 -0.049 0.000 0.812 161 L CB 1.341 43.376 42.059 -0.040 0.000 1.223 161 L HN 0.326 nan 8.230 nan 0.000 0.421 162 V N 1.347 121.204 119.914 -0.095 0.000 2.716 162 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 162 V C 0.358 176.374 176.094 -0.130 0.000 1.053 162 V CA -0.530 61.698 62.300 -0.120 0.000 0.984 162 V CB 1.862 33.578 31.823 -0.180 0.000 1.021 162 V HN 0.912 nan 8.190 nan 0.000 0.467 163 S N 3.709 119.349 115.700 -0.101 0.000 2.578 163 S HA 0.860 5.330 4.470 -0.000 0.000 0.301 163 S C -0.333 174.233 174.600 -0.058 0.000 1.091 163 S CA -0.815 57.341 58.200 -0.073 0.000 1.032 163 S CB 2.432 65.607 63.200 -0.042 0.000 1.064 163 S HN 0.939 nan 8.310 nan 0.000 0.508 164 R N 1.272 121.755 120.500 -0.027 0.000 2.994 164 R HA 0.690 5.029 4.340 -0.000 0.000 0.106 164 R C 0.673 176.980 176.300 0.011 0.000 0.654 164 R CA -0.612 55.500 56.100 0.020 0.000 0.423 164 R CB -0.437 29.906 30.300 0.072 0.000 0.572 164 R HN 0.728 nan 8.270 nan 0.000 0.333 165 G N -0.556 108.255 108.800 0.018 0.000 2.684 165 G HA2 0.442 4.402 3.960 -0.000 0.000 0.255 165 G HA3 0.442 4.402 3.960 -0.000 0.000 0.255 165 G C -0.451 174.449 174.900 0.001 0.000 1.219 165 G CA -0.100 45.003 45.100 0.005 0.000 0.901 165 G HN 0.645 nan 8.290 nan 0.000 0.548 166 G N -2.746 106.053 108.800 -0.002 0.000 2.619 166 G HA2 0.628 4.588 3.960 -0.000 0.000 0.296 166 G HA3 0.628 4.588 3.960 -0.000 0.000 0.296 166 G C -0.358 174.542 174.900 0.001 0.000 1.334 166 G CA 0.159 45.257 45.100 -0.003 0.000 0.934 166 G HN 2.171 nan 8.290 nan 0.000 0.476 167 C N -0.454 118.845 119.300 -0.002 0.000 3.466 167 C HA 0.098 4.558 4.460 -0.000 0.000 0.364 167 C C 1.296 176.294 174.990 0.013 0.000 0.912 167 C CA -0.721 58.292 59.018 -0.007 0.000 3.864 167 C CB -1.464 26.276 27.740 0.000 0.000 1.090 167 C HN 1.994 nan 8.230 nan 0.000 0.606 168 G N 1.731 110.534 108.800 0.005 0.000 2.564 168 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 168 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 168 G C 0.604 175.530 174.900 0.044 0.000 1.124 168 G CA 0.628 45.741 45.100 0.022 0.000 0.764 168 G HN 1.011 nan 8.290 nan 0.000 0.550 169 N N 2.116 120.834 118.700 0.030 0.000 1.960 169 N HA -0.085 4.654 4.740 -0.000 0.000 0.295 169 N C 0.561 176.175 175.510 0.174 0.000 1.364 169 N CA 0.869 53.955 53.050 0.060 0.000 0.887 169 N CB 0.043 38.529 38.487 -0.001 0.000 1.226 169 N HN 0.119 nan 8.380 nan 0.000 0.492 170 T N 2.724 117.381 114.554 0.172 0.000 2.902 170 T HA -0.126 4.224 4.350 -0.000 0.000 0.317 170 T C 0.794 175.675 174.700 0.302 0.000 1.064 170 T CA 0.337 62.562 62.100 0.210 0.000 1.130 170 T CB 0.490 69.493 68.868 0.226 0.000 1.073 170 T HN 0.323 nan 8.240 nan 0.000 0.524 171 Q N 3.639 123.533 119.800 0.156 0.000 2.303 171 Q HA 0.283 4.622 4.340 -0.000 0.000 0.257 171 Q C -2.183 173.740 176.000 -0.128 0.000 0.941 171 Q CA -1.987 53.858 55.803 0.071 0.000 0.931 171 Q CB 1.205 29.954 28.738 0.018 0.000 1.215 171 Q HN 0.441 nan 8.270 nan 0.000 0.437 172 P HA 0.054 nan 4.420 nan 0.000 0.281 172 P C -0.528 176.501 177.300 -0.451 0.000 1.252 172 P CA -0.236 62.356 63.100 -0.847 0.000 0.778 172 P CB 1.087 31.540 31.700 -2.080 0.000 0.895 173 T N 3.780 118.145 114.554 -0.315 0.000 2.856 173 T HA 0.343 4.693 4.350 -0.000 0.000 0.306 173 T C 0.666 175.253 174.700 -0.189 0.000 1.062 173 T CA 0.190 62.175 62.100 -0.191 0.000 1.083 173 T CB 0.107 68.896 68.868 -0.132 0.000 0.984 173 T HN 0.277 nan 8.240 nan 0.000 0.542 174 I N 1.484 121.995 120.570 -0.098 0.000 2.730 174 I HA 0.591 4.761 4.170 -0.000 0.000 0.298 174 I C -0.092 176.024 176.117 -0.002 0.000 1.089 174 I CA -1.204 60.062 61.300 -0.057 0.000 1.041 174 I CB 2.222 40.212 38.000 -0.016 0.000 1.235 174 I HN 0.631 nan 8.210 nan 0.000 0.423 175 R N 2.937 123.441 120.500 0.008 0.000 2.808 175 R HA 0.607 4.947 4.340 -0.000 0.000 0.272 175 R C -1.334 174.994 176.300 0.046 0.000 0.995 175 R CA -1.140 54.977 56.100 0.030 0.000 0.917 175 R CB 2.267 32.578 30.300 0.018 0.000 1.217 175 R HN 0.477 nan 8.270 nan 0.000 0.471 176 K N 1.576 122.007 120.400 0.052 0.000 2.293 176 K HA 0.135 4.455 4.320 -0.000 0.000 0.267 176 K C -1.282 175.355 176.600 0.061 0.000 1.010 176 K CA -0.491 55.834 56.287 0.063 0.000 0.875 176 K CB 1.219 33.752 32.500 0.055 0.000 1.106 176 K HN 0.675 nan 8.250 nan 0.000 0.450 177 D N 4.064 124.508 120.400 0.072 0.000 2.462 177 D HA 0.264 4.904 4.640 -0.000 0.000 0.245 177 D C 0.600 176.948 176.300 0.080 0.000 1.122 177 D CA 0.610 54.649 54.000 0.065 0.000 0.864 177 D CB 1.185 42.020 40.800 0.057 0.000 1.098 177 D HN 0.904 nan 8.370 nan 0.000 0.541 178 G N 3.810 112.657 108.800 0.077 0.000 2.602 178 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.310 178 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.310 178 G C 0.588 175.556 174.900 0.114 0.000 1.183 178 G CA 0.462 45.617 45.100 0.091 0.000 0.979 178 G HN 0.554 nan 8.290 nan 0.000 0.545 179 L N 1.033 122.338 121.223 0.136 0.000 3.017 179 L HA 0.413 4.753 4.340 -0.000 0.000 0.255 179 L C 0.563 177.579 176.870 0.242 0.000 1.247 179 L CA 0.036 54.989 54.840 0.190 0.000 1.038 179 L CB -0.012 42.143 42.059 0.160 0.000 1.380 179 L HN 0.276 nan 8.230 nan 0.000 0.548 180 K N 0.896 121.424 120.400 0.212 0.000 2.482 180 K HA 0.647 4.967 4.320 -0.000 0.000 0.257 180 K C -1.128 175.613 176.600 0.236 0.000 0.969 180 K CA -0.805 55.616 56.287 0.225 0.000 0.842 180 K CB 3.163 35.721 32.500 0.098 0.000 1.359 180 K HN -0.037 nan 8.250 nan 0.000 0.441 181 L N 2.186 123.569 121.223 0.268 0.000 2.305 181 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 181 L C -0.791 176.156 176.870 0.128 0.000 1.013 181 L CA -1.043 53.910 54.840 0.190 0.000 0.819 181 L CB 1.586 43.780 42.059 0.224 0.000 1.227 181 L HN 0.241 nan 8.230 nan 0.000 0.417 182 V N 1.921 121.881 119.914 0.077 0.000 2.769 182 V HA 0.882 5.002 4.120 -0.000 0.000 0.312 182 V C 0.209 176.288 176.094 -0.025 0.000 1.061 182 V CA -0.432 61.897 62.300 0.048 0.000 0.931 182 V CB 2.133 33.988 31.823 0.054 0.000 1.010 182 V HN 0.867 nan 8.190 nan 0.000 0.433 183 G N 1.492 110.230 108.800 -0.103 0.000 2.690 183 G HA2 0.648 4.608 3.960 -0.000 0.000 0.293 183 G HA3 0.648 4.608 3.960 -0.000 0.000 0.293 183 G C -0.911 173.783 174.900 -0.344 0.000 1.399 183 G CA -0.313 44.619 45.100 -0.280 0.000 0.890 183 G HN 0.894 nan 8.290 nan 0.000 0.485 184 S N 0.143 115.664 115.700 -0.298 0.000 2.475 184 S HA 0.655 5.125 4.470 -0.000 0.000 0.298 184 S C -0.910 173.578 174.600 -0.187 0.000 1.119 184 S CA -0.772 57.359 58.200 -0.115 0.000 1.085 184 S CB 1.332 64.518 63.200 -0.024 0.000 1.028 184 S HN 0.540 nan 8.310 nan 0.000 0.489 185 W N 2.702 124.018 121.300 0.026 0.000 2.294 185 W HA 0.346 5.006 4.660 -0.000 0.000 0.314 185 W C -0.116 176.415 176.519 0.019 0.000 1.044 185 W CA -0.881 56.480 57.345 0.028 0.000 1.284 185 W CB 1.437 30.919 29.460 0.037 0.000 1.231 185 W HN 0.598 nan 8.180 nan 0.000 0.419 186 K N 3.458 123.964 120.400 0.177 0.000 2.379 186 K HA 0.173 4.493 4.320 -0.000 0.000 0.284 186 K C 0.002 176.669 176.600 0.112 0.000 1.044 186 K CA 0.123 56.477 56.287 0.112 0.000 0.974 186 K CB 0.987 33.522 32.500 0.058 0.000 0.962 186 K HN 0.210 nan 8.250 nan 0.000 0.474 187 K N 2.670 123.122 120.400 0.086 0.000 2.358 187 K HA 0.184 4.504 4.320 -0.000 0.000 0.260 187 K C -0.823 175.801 176.600 0.040 0.000 0.956 187 K CA -0.698 55.626 56.287 0.062 0.000 0.834 187 K CB 1.433 33.966 32.500 0.055 0.000 1.102 187 K HN 0.495 nan 8.250 nan 0.000 0.431 188 D N 1.880 122.300 120.400 0.032 0.000 2.332 188 D HA 0.462 5.102 4.640 -0.000 0.000 0.252 188 D C -0.425 175.884 176.300 0.015 0.000 1.050 188 D CA -0.212 53.801 54.000 0.022 0.000 0.970 188 D CB 1.349 42.160 40.800 0.019 0.000 1.141 188 D HN 0.419 nan 8.370 nan 0.000 0.485 196 E N 0.461 120.678 120.200 0.030 0.000 7.683 196 E HA -0.106 4.244 4.350 -0.000 0.000 0.459 196 E C -2.567 174.063 176.600 0.050 0.000 0.466 196 E CA -0.598 55.822 56.400 0.034 0.000 0.834 196 E CB -0.013 29.704 29.700 0.029 0.000 0.971 196 E HN 0.196 nan 8.360 nan 0.000 0.262 197 P HA 0.025 nan 4.420 nan 0.000 0.281 197 P C -0.616 176.748 177.300 0.107 0.000 1.274 197 P CA 0.389 63.538 63.100 0.082 0.000 0.794 197 P CB 0.388 32.127 31.700 0.065 0.000 1.201 198 E N -0.250 120.048 120.200 0.163 0.000 2.829 198 E HA 0.244 4.593 4.350 -0.000 0.000 0.350 198 E C -0.976 175.793 176.600 0.281 0.000 1.119 198 E CA -0.245 56.270 56.400 0.191 0.000 0.764 198 E CB 0.233 30.055 29.700 0.204 0.000 1.576 198 E HN 0.320 nan 8.360 nan 0.000 0.379 199 L N 3.881 125.214 121.223 0.182 0.000 2.313 199 L HA 0.480 4.820 4.340 -0.000 0.000 0.282 199 L C 0.323 177.305 176.870 0.188 0.000 1.092 199 L CA -0.138 54.810 54.840 0.180 0.000 0.831 199 L CB 0.304 42.422 42.059 0.097 0.000 1.159 199 L HN 0.335 nan 8.230 nan 0.000 0.442 200 R N 2.010 122.678 120.500 0.280 0.000 2.740 200 R HA 0.682 5.022 4.340 -0.000 0.000 0.273 200 R C -1.651 174.774 176.300 0.209 0.000 0.998 200 R CA -0.888 55.342 56.100 0.217 0.000 0.900 200 R CB 1.588 32.008 30.300 0.201 0.000 1.223 200 R HN 0.197 nan 8.270 nan 0.000 0.466 201 V N 3.659 123.645 119.914 0.120 0.000 2.488 201 V HA 0.199 4.319 4.120 -0.000 0.000 0.277 201 V C 0.366 176.535 176.094 0.124 0.000 1.046 201 V CA -0.551 61.809 62.300 0.100 0.000 0.986 201 V CB 0.987 32.836 31.823 0.043 0.000 0.989 201 V HN 0.574 nan 8.190 nan 0.000 0.475 202 L N 5.591 126.903 121.223 0.148 0.000 2.433 202 L HA 0.215 4.555 4.340 -0.000 0.000 0.284 202 L C 0.955 177.889 176.870 0.107 0.000 1.120 202 L CA 0.048 54.987 54.840 0.165 0.000 0.879 202 L CB 0.650 42.827 42.059 0.196 0.000 1.232 202 L HN 0.875 nan 8.230 nan 0.000 0.454 203 S N 0.982 116.725 115.700 0.070 0.000 2.549 203 S HA 0.049 4.518 4.470 -0.000 0.000 0.286 203 S C 1.247 175.850 174.600 0.005 0.000 1.314 203 S CA -0.500 57.709 58.200 0.014 0.000 1.062 203 S CB 1.223 64.433 63.200 0.017 0.000 0.865 203 S HN 0.632 nan 8.310 nan 0.000 0.498 204 T N 3.191 117.688 114.554 -0.096 0.000 2.607 204 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 204 T C 1.543 176.237 174.700 -0.010 0.000 1.049 204 T CA 2.146 64.181 62.100 -0.108 0.000 1.162 204 T CB -0.835 67.887 68.868 -0.244 0.000 0.863 204 T HN 0.875 nan 8.240 nan 0.000 0.424 205 E N 0.768 120.957 120.200 -0.018 0.000 2.236 205 E HA -0.277 4.072 4.350 -0.000 0.000 0.205 205 E C 2.165 178.783 176.600 0.031 0.000 1.028 205 E CA 1.552 57.956 56.400 0.007 0.000 0.827 205 E CB -0.178 29.527 29.700 0.008 0.000 0.735 205 E HN 0.628 nan 8.360 nan 0.000 0.470 206 E N 0.195 120.424 120.200 0.047 0.000 2.014 206 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 206 E C 2.102 178.768 176.600 0.111 0.000 0.980 206 E CA 0.514 56.958 56.400 0.074 0.000 0.807 206 E CB 0.130 29.880 29.700 0.083 0.000 0.770 206 E HN 0.078 nan 8.360 nan 0.000 0.451 207 I N 1.885 122.537 120.570 0.138 0.000 2.068 207 I HA -0.354 3.815 4.170 -0.000 0.000 0.238 207 I C 2.721 178.930 176.117 0.153 0.000 1.046 207 I CA 1.339 62.755 61.300 0.192 0.000 1.306 207 I CB -1.402 36.687 38.000 0.149 0.000 1.023 207 I HN 0.385 nan 8.210 nan 0.000 0.399 208 L N 0.688 121.921 121.223 0.016 0.000 2.011 208 L HA -0.363 3.977 4.340 -0.000 0.000 0.225 208 L C 2.608 179.526 176.870 0.080 0.000 1.084 208 L CA 2.202 57.035 54.840 -0.013 0.000 0.791 208 L CB -0.509 41.550 42.059 -0.000 0.000 0.898 208 L HN 0.434 nan 8.230 nan 0.000 0.440 209 N N 0.370 119.106 118.700 0.061 0.000 2.018 209 N HA -0.251 4.489 4.740 -0.000 0.000 0.196 209 N C 1.856 177.397 175.510 0.052 0.000 1.043 209 N CA 2.392 55.446 53.050 0.006 0.000 0.856 209 N CB -0.306 38.188 38.487 0.012 0.000 1.042 209 N HN 0.442 nan 8.380 nan 0.000 0.423 210 I N 0.232 120.905 120.570 0.171 0.000 2.300 210 I HA -0.289 3.881 4.170 -0.000 0.000 0.252 210 I C 1.803 178.013 176.117 0.155 0.000 1.119 210 I CA 1.063 62.469 61.300 0.177 0.000 1.384 210 I CB -0.383 37.731 38.000 0.191 0.000 1.062 210 I HN 0.055 nan 8.210 nan 0.000 0.426 211 F N 1.083 121.028 119.950 -0.008 0.000 2.118 211 F HA -0.085 4.442 4.527 -0.000 0.000 0.293 211 F C 2.479 178.264 175.800 -0.025 0.000 1.102 211 F CA 1.137 59.128 58.000 -0.016 0.000 1.247 211 F CB -0.792 38.187 39.000 -0.036 0.000 1.017 211 F HN -0.168 nan 8.300 nan 0.000 0.475 212 K N -0.583 119.879 120.400 0.103 0.000 2.107 212 K HA -0.248 4.072 4.320 -0.000 0.000 0.211 212 K C 1.802 178.379 176.600 -0.038 0.000 1.049 212 K CA 1.832 58.095 56.287 -0.040 0.000 0.927 212 K CB -0.388 32.000 32.500 -0.187 0.000 0.714 212 K HN 0.312 nan 8.250 nan 0.000 0.452 213 H N -0.007 119.067 119.070 0.006 0.000 2.529 213 H HA 0.122 4.678 4.556 -0.000 0.000 0.277 213 H C 0.591 175.840 175.328 -0.133 0.000 0.999 213 H CA 0.204 56.220 56.048 -0.053 0.000 1.256 213 H CB -0.256 29.489 29.762 -0.027 0.000 1.402 213 H HN 0.111 nan 8.280 nan 0.000 0.566 214 I N 2.016 122.560 120.570 -0.045 0.000 2.845 214 I HA -0.152 4.017 4.170 -0.000 0.000 0.296 214 I C 1.202 177.074 176.117 -0.408 0.000 1.216 214 I CA 0.237 61.422 61.300 -0.192 0.000 1.438 214 I CB 0.360 38.247 38.000 -0.189 0.000 1.342 214 I HN 0.153 nan 8.210 nan 0.000 0.577 215 S N 5.146 120.635 115.700 -0.352 0.000 2.576 215 S HA 0.069 4.539 4.470 -0.000 0.000 0.272 215 S C 1.131 175.320 174.600 -0.686 0.000 1.352 215 S CA -0.772 57.188 58.200 -0.400 0.000 1.021 215 S CB 1.298 64.362 63.200 -0.227 0.000 0.887 215 S HN 0.388 nan 8.310 nan 0.000 0.542 216 V N 3.449 123.042 119.914 -0.534 0.000 2.295 216 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 216 V C 2.614 178.585 176.094 -0.206 0.000 1.049 216 V CA 2.022 64.043 62.300 -0.466 0.000 1.024 216 V CB -0.866 30.837 31.823 -0.199 0.000 0.648 216 V HN 0.888 nan 8.190 nan 0.000 0.447 217 K N -0.407 119.913 120.400 -0.134 0.000 2.288 217 K HA -0.115 4.205 4.320 -0.000 0.000 0.201 217 K C 1.785 178.370 176.600 -0.024 0.000 1.048 217 K CA 1.032 57.293 56.287 -0.043 0.000 0.956 217 K CB -0.178 32.297 32.500 -0.041 0.000 0.746 217 K HN 0.469 nan 8.250 nan 0.000 0.461 218 D N 0.550 120.891 120.400 -0.098 0.000 2.149 218 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 218 D C 1.657 177.992 176.300 0.058 0.000 0.972 218 D CA 0.828 54.795 54.000 -0.056 0.000 0.835 218 D CB -0.149 40.572 40.800 -0.132 0.000 0.966 218 D HN 0.115 nan 8.370 nan 0.000 0.476 219 F N 1.437 121.347 119.950 -0.066 0.000 2.007 219 F HA -0.306 4.221 4.527 -0.000 0.000 0.298 219 F C 2.737 178.578 175.800 0.069 0.000 1.197 219 F CA 1.200 59.154 58.000 -0.075 0.000 1.195 219 F CB -0.782 38.193 39.000 -0.042 0.000 0.951 219 F HN -0.063 nan 8.300 nan 0.000 0.512 220 T N 0.416 115.180 114.554 0.350 0.000 2.567 220 T HA -0.350 4.000 4.350 -0.000 0.000 0.261 220 T C 1.941 176.757 174.700 0.194 0.000 1.123 220 T CA 2.520 64.758 62.100 0.231 0.000 1.166 220 T CB -0.954 68.007 68.868 0.155 0.000 0.860 220 T HN 0.439 nan 8.240 nan 0.000 0.436 221 S N 1.634 117.423 115.700 0.149 0.000 2.393 221 S HA -0.147 4.323 4.470 -0.000 0.000 0.234 221 S C 0.984 175.700 174.600 0.193 0.000 1.064 221 S CA 0.983 59.261 58.200 0.131 0.000 1.088 221 S CB -0.934 62.320 63.200 0.090 0.000 0.939 221 S HN 0.459 nan 8.310 nan 0.000 0.448 222 L N 2.031 123.409 121.223 0.258 0.000 2.326 222 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 222 L C 1.222 178.335 176.870 0.404 0.000 1.092 222 L CA -0.398 54.679 54.840 0.395 0.000 0.810 222 L CB 0.456 42.767 42.059 0.420 0.000 1.153 222 L HN 0.374 nan 8.230 nan 0.000 0.439 223 G N 3.488 112.448 108.800 0.266 0.000 2.467 223 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.283 223 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.283 223 G C -0.386 174.374 174.900 -0.233 0.000 0.615 223 G CA 0.306 45.406 45.100 0.000 0.000 2.098 223 G HN 0.286 nan 8.290 nan 0.000 0.546 224 F N -0.868 119.061 119.950 -0.035 0.000 2.790 224 F HA 0.575 5.102 4.527 -0.000 0.000 0.337 224 F C 0.047 175.837 175.800 -0.016 0.000 1.163 224 F CA -1.504 56.459 58.000 -0.063 0.000 0.997 224 F CB 2.152 41.071 39.000 -0.136 0.000 1.437 224 F HN 0.153 nan 8.300 nan 0.000 0.512 225 N N -0.097 118.715 118.700 0.185 0.000 2.519 225 N HA 0.132 4.872 4.740 -0.000 0.000 0.291 225 N C 0.123 175.672 175.510 0.065 0.000 1.107 225 N CA -0.242 52.867 53.050 0.099 0.000 0.904 225 N CB 1.402 39.931 38.487 0.070 0.000 1.500 225 N HN 0.688 nan 8.380 nan 0.000 0.510 226 E N 2.035 122.285 120.200 0.083 0.000 2.208 226 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 226 E C 0.460 177.124 176.600 0.108 0.000 1.014 226 E CA 1.823 58.302 56.400 0.130 0.000 0.819 226 E CB 0.245 30.040 29.700 0.158 0.000 0.735 226 E HN 0.525 nan 8.360 nan 0.000 0.469 227 V N -1.098 118.791 119.914 -0.041 0.000 2.788 227 V HA 0.002 4.122 4.120 -0.000 0.000 0.241 227 V C 1.758 177.924 176.094 0.121 0.000 1.083 227 V CA 0.866 63.111 62.300 -0.092 0.000 1.103 227 V CB -0.384 31.093 31.823 -0.578 0.000 0.800 227 V HN 0.232 nan 8.190 nan 0.000 0.476 228 F N 1.207 121.233 119.950 0.126 0.000 2.505 228 F HA 0.214 4.741 4.527 -0.000 0.000 0.289 228 F C 1.046 176.885 175.800 0.066 0.000 1.101 228 F CA 0.479 58.488 58.000 0.015 0.000 1.446 228 F CB 0.476 39.468 39.000 -0.015 0.000 1.123 228 F HN 0.253 nan 8.300 nan 0.000 0.564 229 S N 0.527 116.486 115.700 0.432 0.000 2.381 229 S HA 0.410 4.879 4.470 -0.000 0.000 0.193 229 S C -0.814 174.077 174.600 0.485 0.000 1.287 229 S CA -0.848 57.642 58.200 0.484 0.000 1.199 229 S CB 0.563 63.895 63.200 0.221 0.000 1.214 229 S HN 0.084 nan 8.310 nan 0.000 0.444 230 R N 2.592 123.348 120.500 0.427 0.000 2.265 230 R HA 0.331 4.671 4.340 -0.000 0.000 0.314 230 R C -1.947 174.154 176.300 -0.333 0.000 1.053 230 R CA -2.155 53.549 56.100 -0.660 0.000 0.931 230 R CB 0.544 29.959 30.300 -1.476 0.000 1.024 230 R HN 0.293 nan 8.270 nan 0.000 0.457 231 P HA -0.325 nan 4.420 nan 0.000 0.219 231 P C 0.727 178.040 177.300 0.022 0.000 1.158 231 P CA 1.619 64.517 63.100 -0.336 0.000 0.895 231 P CB 0.070 31.384 31.700 -0.643 0.000 0.792 232 E N -1.898 118.255 120.200 -0.077 0.000 2.444 232 E HA -0.221 4.129 4.350 -0.000 0.000 0.204 232 E C 1.086 177.642 176.600 -0.073 0.000 1.049 232 E CA 0.870 57.217 56.400 -0.089 0.000 0.872 232 E CB -0.921 28.661 29.700 -0.195 0.000 0.791 232 E HN 0.396 nan 8.360 nan 0.000 0.548 233 W N 0.149 121.483 121.300 0.057 0.000 3.114 233 W HA 0.312 4.972 4.660 -0.000 0.000 0.279 233 W C 1.605 178.206 176.519 0.135 0.000 1.277 233 W CA -0.207 57.192 57.345 0.090 0.000 1.630 233 W CB -0.149 29.373 29.460 0.102 0.000 1.087 233 W HN 0.132 nan 8.180 nan 0.000 0.637 234 M N 0.022 119.830 119.600 0.347 0.000 2.632 234 M HA -0.033 4.447 4.480 -0.000 0.000 0.256 234 M C 0.292 176.781 176.300 0.315 0.000 1.080 234 M CA 1.259 56.823 55.300 0.440 0.000 1.084 234 M CB -0.277 32.464 32.600 0.235 0.000 1.439 234 M HN -0.314 nan 8.290 nan 0.000 0.509 235 I N 1.378 122.068 120.570 0.200 0.000 2.339 235 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 235 I C -0.416 175.799 176.117 0.164 0.000 0.994 235 I CA -0.631 60.777 61.300 0.179 0.000 1.191 235 I CB 1.486 39.541 38.000 0.093 0.000 1.343 235 I HN 0.020 nan 8.210 nan 0.000 0.458 236 L N 6.379 127.685 121.223 0.138 0.000 2.361 236 L HA 0.288 4.628 4.340 -0.000 0.000 0.278 236 L C 0.729 177.648 176.870 0.080 0.000 1.113 236 L CA -0.047 54.850 54.840 0.095 0.000 0.849 236 L CB 0.472 42.569 42.059 0.063 0.000 1.155 236 L HN 0.682 nan 8.230 nan 0.000 0.452 237 T N 0.468 115.077 114.554 0.091 0.000 3.071 237 T HA 0.031 4.381 4.350 -0.000 0.000 0.239 237 T C 0.328 175.060 174.700 0.053 0.000 0.997 237 T CA 0.210 62.355 62.100 0.074 0.000 1.134 237 T CB 0.371 69.301 68.868 0.103 0.000 0.928 237 T HN 0.639 nan 8.240 nan 0.000 0.453 238 C N 2.123 121.461 119.300 0.063 0.000 2.456 238 C HA 0.821 5.281 4.460 -0.000 0.000 0.325 238 C C -1.233 173.767 174.990 0.017 0.000 1.217 238 C CA -1.131 57.911 59.018 0.040 0.000 1.687 238 C CB 0.298 28.093 27.740 0.092 0.000 2.270 238 C HN 0.413 nan 8.230 nan 0.000 0.499 239 L N 8.166 129.385 121.223 -0.007 0.000 2.298 239 L HA 0.598 4.938 4.340 -0.000 0.000 0.284 239 L C -2.074 174.807 176.870 0.018 0.000 1.013 239 L CA -1.952 52.885 54.840 -0.006 0.000 0.824 239 L CB 1.748 43.788 42.059 -0.031 0.000 1.221 239 L HN 0.542 nan 8.230 nan 0.000 0.418 240 P HA 0.068 nan 4.420 nan 0.000 0.271 240 P C -0.891 176.513 177.300 0.174 0.000 1.216 240 P CA -0.096 63.065 63.100 0.102 0.000 0.771 240 P CB 1.128 32.805 31.700 -0.038 0.000 0.864 241 V N 5.919 125.908 119.914 0.124 0.000 2.259 241 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 241 V C -1.737 174.161 176.094 -0.327 0.000 1.051 241 V CA -2.072 60.202 62.300 -0.044 0.000 0.830 241 V CB 0.551 32.352 31.823 -0.037 0.000 1.080 241 V HN 0.559 nan 8.190 nan 0.000 0.467 242 P HA 0.052 nan 4.420 nan 0.000 0.263 242 P C -2.556 174.468 177.300 -0.460 0.000 1.168 242 P CA -0.479 62.193 63.100 -0.713 0.000 0.759 242 P CB 0.135 31.677 31.700 -0.264 0.000 0.782 243 P HA 0.175 nan 4.420 nan 0.000 0.281 243 P C -1.806 175.392 177.300 -0.171 0.000 1.249 243 P CA -1.944 61.000 63.100 -0.260 0.000 0.810 243 P CB 0.051 31.609 31.700 -0.236 0.000 1.008 244 P HA -0.240 nan 4.420 nan 0.000 0.217 244 P C -1.187 176.061 177.300 -0.088 0.000 0.937 244 P CA 2.907 65.955 63.100 -0.087 0.000 1.028 244 P CB -2.553 29.108 31.700 -0.064 0.000 0.735 245 P HA -0.140 nan 4.420 nan 0.000 0.220 245 P C 1.558 178.817 177.300 -0.067 0.000 1.146 245 P CA 1.310 64.369 63.100 -0.068 0.000 0.816 245 P CB -0.468 31.194 31.700 -0.063 0.000 0.764 246 V N -1.006 118.856 119.914 -0.086 0.000 2.992 246 V HA -0.023 4.097 4.120 -0.000 0.000 0.250 246 V C 1.458 177.512 176.094 -0.067 0.000 1.090 246 V CA 1.166 63.423 62.300 -0.072 0.000 1.101 246 V CB -0.683 31.085 31.823 -0.091 0.000 0.743 246 V HN 0.221 nan 8.190 nan 0.000 0.468 247 R N 0.980 121.432 120.500 -0.079 0.000 2.795 247 R HA 0.341 4.681 4.340 -0.000 0.000 0.320 247 R C -2.916 173.327 176.300 -0.094 0.000 1.223 247 R CA -1.353 54.698 56.100 -0.080 0.000 1.305 247 R CB -0.023 30.235 30.300 -0.071 0.000 1.318 247 R HN 0.249 nan 8.270 nan 0.000 0.636 248 P HA -0.065 nan 4.420 nan 0.000 0.272 248 P C 0.010 177.244 177.300 -0.110 0.000 1.248 248 P CA 0.198 63.244 63.100 -0.090 0.000 0.799 248 P CB 1.051 32.706 31.700 -0.076 0.000 0.997 249 S N -0.068 115.562 115.700 -0.116 0.000 2.561 249 S HA 0.663 5.133 4.470 -0.000 0.000 0.282 249 S C 0.169 174.669 174.600 -0.167 0.000 1.123 249 S CA -0.703 57.409 58.200 -0.147 0.000 1.011 249 S CB 0.449 63.563 63.200 -0.143 0.000 1.244 249 S HN 0.457 nan 8.310 nan 0.000 0.503 250 I N 1.522 121.947 120.570 -0.243 0.000 2.580 250 I HA 0.132 4.302 4.170 -0.000 0.000 0.268 250 I C -0.934 174.805 176.117 -0.630 0.000 1.261 250 I CA -0.268 60.832 61.300 -0.333 0.000 1.115 250 I CB 1.658 39.495 38.000 -0.272 0.000 1.387 250 I HN 0.739 nan 8.210 nan 0.000 0.474 251 S N 3.950 119.372 115.700 -0.463 0.000 2.489 251 S HA 0.550 5.020 4.470 -0.000 0.000 0.277 251 S C -0.336 174.002 174.600 -0.437 0.000 1.230 251 S CA -0.453 57.463 58.200 -0.473 0.000 1.053 251 S CB 0.397 63.469 63.200 -0.213 0.000 0.955 251 S HN 0.378 nan 8.310 nan 0.000 0.488 252 F N 3.441 123.388 119.950 -0.004 0.000 2.660 252 F HA 0.373 4.900 4.527 -0.000 0.000 0.342 252 F C 1.271 177.070 175.800 -0.001 0.000 1.195 252 F CA -0.735 57.264 58.000 -0.002 0.000 1.300 252 F CB -0.989 38.011 39.000 0.000 0.000 1.616 252 F HN 0.699 nan 8.300 nan 0.000 0.592 253 N N 0.388 119.131 118.700 0.072 0.000 3.524 253 N HA -0.249 4.490 4.740 -0.000 0.000 0.225 253 N C 0.733 176.255 175.510 0.020 0.000 0.435 253 N CA 1.783 54.859 53.050 0.044 0.000 2.223 253 N CB -0.529 37.997 38.487 0.065 0.000 1.577 253 N HN 0.491 nan 8.380 nan 0.000 0.345 254 E N 0.153 120.377 120.200 0.039 0.000 4.381 254 E HA 0.241 4.591 4.350 -0.000 0.000 0.212 254 E C -0.082 176.543 176.600 0.043 0.000 1.112 254 E CA 0.309 56.723 56.400 0.024 0.000 0.938 254 E CB -0.007 29.704 29.700 0.018 0.000 2.387 254 E HN 0.443 nan 8.360 nan 0.000 0.486 255 S N 1.370 117.094 115.700 0.040 0.000 3.324 255 S HA -0.228 4.242 4.470 -0.000 0.000 0.131 255 S C 0.057 174.700 174.600 0.072 0.000 0.332 255 S CA 0.849 59.077 58.200 0.045 0.000 1.507 255 S CB -0.917 62.305 63.200 0.037 0.000 0.746 255 S HN 0.284 nan 8.310 nan 0.000 0.285 256 Q N -0.230 119.623 119.800 0.089 0.000 2.870 256 Q HA 0.558 4.898 4.340 -0.000 0.000 0.366 256 Q C 0.168 176.233 176.000 0.109 0.000 0.738 256 Q CA -1.282 54.608 55.803 0.145 0.000 0.870 256 Q CB 1.148 30.066 28.738 0.300 0.000 1.237 256 Q HN 0.384 nan 8.270 nan 0.000 0.497 257 R N -1.243 119.349 120.500 0.153 0.000 3.066 257 R HA 0.717 5.056 4.340 -0.000 0.000 0.143 257 R C -0.084 176.181 176.300 -0.058 0.000 1.187 257 R CA -0.050 56.095 56.100 0.074 0.000 0.722 257 R CB 0.453 30.833 30.300 0.132 0.000 1.366 257 R HN 0.810 nan 8.270 nan 0.000 0.421 258 G N 0.600 109.377 108.800 -0.038 0.000 2.276 258 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.177 258 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.177 258 G C -0.436 174.370 174.900 -0.157 0.000 1.017 258 G CA -0.570 44.429 45.100 -0.168 0.000 0.750 258 G HN 0.195 nan 8.290 nan 0.000 0.506 259 E N 1.200 121.314 120.200 -0.143 0.000 2.415 259 E HA 0.215 4.565 4.350 -0.000 0.000 0.262 259 E C -0.111 176.243 176.600 -0.410 0.000 1.038 259 E CA -0.112 56.127 56.400 -0.269 0.000 0.921 259 E CB 1.024 30.551 29.700 -0.289 0.000 0.950 259 E HN 0.374 nan 8.360 nan 0.000 0.438 260 D N 1.266 121.442 120.400 -0.372 0.000 2.283 260 D HA 0.004 4.644 4.640 -0.000 0.000 0.248 260 D C 0.368 176.412 176.300 -0.427 0.000 1.072 260 D CA -0.324 53.486 54.000 -0.316 0.000 0.929 260 D CB 0.966 41.654 40.800 -0.187 0.000 1.182 260 D HN 0.207 nan 8.370 nan 0.000 0.433 261 D N 1.693 121.934 120.400 -0.265 0.000 2.321 261 D HA -0.237 4.403 4.640 -0.000 0.000 0.194 261 D C 2.025 178.271 176.300 -0.090 0.000 1.013 261 D CA 1.859 55.767 54.000 -0.154 0.000 0.863 261 D CB -0.104 40.673 40.800 -0.038 0.000 1.011 261 D HN 0.385 nan 8.370 nan 0.000 0.457 262 L N 0.129 121.335 121.223 -0.028 0.000 2.011 262 L HA -0.315 4.024 4.340 -0.000 0.000 0.225 262 L C 2.440 179.337 176.870 0.046 0.000 1.084 262 L CA 1.932 56.813 54.840 0.069 0.000 0.791 262 L CB -1.091 41.010 42.059 0.071 0.000 0.898 262 L HN 0.188 nan 8.230 nan 0.000 0.440 263 T N -0.654 113.865 114.554 -0.059 0.000 2.946 263 T HA -0.222 4.127 4.350 -0.000 0.000 0.270 263 T C 1.426 176.192 174.700 0.110 0.000 1.129 263 T CA 1.357 63.429 62.100 -0.046 0.000 1.103 263 T CB -0.354 68.430 68.868 -0.141 0.000 0.839 263 T HN 0.281 nan 8.240 nan 0.000 0.544 264 F N 0.472 120.414 119.950 -0.013 0.000 2.243 264 F HA 0.097 4.624 4.527 -0.000 0.000 0.287 264 F C 2.316 178.073 175.800 -0.073 0.000 1.067 264 F CA -0.006 57.975 58.000 -0.032 0.000 1.304 264 F CB 0.090 39.081 39.000 -0.016 0.000 1.087 264 F HN -0.071 nan 8.300 nan 0.000 0.513 265 K N 1.066 121.559 120.400 0.154 0.000 2.160 265 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 265 K C 1.766 178.291 176.600 -0.124 0.000 1.047 265 K CA 1.117 57.396 56.287 -0.013 0.000 0.930 265 K CB -0.676 31.885 32.500 0.102 0.000 0.720 265 K HN 0.255 nan 8.250 nan 0.000 0.450 266 L N -0.227 120.932 121.223 -0.107 0.000 1.994 266 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 266 L C 2.405 179.223 176.870 -0.086 0.000 1.071 266 L CA 1.368 56.101 54.840 -0.178 0.000 0.745 266 L CB -0.833 41.143 42.059 -0.138 0.000 0.892 266 L HN 0.210 nan 8.230 nan 0.000 0.431 267 A N 0.003 122.821 122.820 -0.004 0.000 1.940 267 A HA -0.299 4.021 4.320 -0.000 0.000 0.221 267 A C 1.948 179.505 177.584 -0.045 0.000 1.190 267 A CA 2.405 54.449 52.037 0.012 0.000 0.647 267 A CB -0.612 18.437 19.000 0.081 0.000 0.821 267 A HN 0.430 nan 8.150 nan 0.000 0.457 268 D N -0.401 119.932 120.400 -0.113 0.000 2.084 268 D HA -0.055 4.585 4.640 -0.000 0.000 0.199 268 D C 2.011 178.283 176.300 -0.048 0.000 0.981 268 D CA 1.096 54.992 54.000 -0.174 0.000 0.841 268 D CB -0.453 39.961 40.800 -0.643 0.000 0.997 268 D HN 0.449 nan 8.370 nan 0.000 0.454 269 I N 0.948 121.463 120.570 -0.093 0.000 2.113 269 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 269 I C 2.433 178.553 176.117 0.005 0.000 1.057 269 I CA 0.831 62.139 61.300 0.013 0.000 1.314 269 I CB -0.217 37.717 38.000 -0.110 0.000 1.022 269 I HN 0.078 nan 8.210 nan 0.000 0.408 270 L N 0.974 122.174 121.223 -0.037 0.000 1.955 270 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 270 L C 2.419 179.286 176.870 -0.006 0.000 1.072 270 L CA 1.966 56.789 54.840 -0.028 0.000 0.755 270 L CB -1.002 41.042 42.059 -0.025 0.000 0.888 270 L HN 0.130 nan 8.230 nan 0.000 0.432 271 K N -0.428 119.974 120.400 0.003 0.000 2.001 271 K HA -0.243 4.077 4.320 -0.000 0.000 0.223 271 K C 1.928 178.545 176.600 0.027 0.000 1.055 271 K CA 2.021 58.314 56.287 0.011 0.000 0.965 271 K CB -0.762 31.748 32.500 0.018 0.000 0.730 271 K HN 0.502 nan 8.250 nan 0.000 0.449 272 A N 1.224 124.090 122.820 0.077 0.000 2.194 272 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 272 A C 1.764 179.371 177.584 0.038 0.000 1.162 272 A CA 2.039 54.123 52.037 0.077 0.000 0.674 272 A CB -0.708 18.390 19.000 0.163 0.000 0.789 272 A HN 0.420 nan 8.150 nan 0.000 0.470 273 N N -0.169 118.547 118.700 0.025 0.000 2.244 273 N HA 0.010 4.750 4.740 -0.000 0.000 0.189 273 N C 1.532 177.037 175.510 -0.008 0.000 1.047 273 N CA 1.291 54.343 53.050 0.003 0.000 0.870 273 N CB -0.288 38.192 38.487 -0.012 0.000 1.041 273 N HN 0.365 nan 8.380 nan 0.000 0.448 274 I N 0.676 121.235 120.570 -0.019 0.000 2.091 274 I HA -0.404 3.766 4.170 -0.000 0.000 0.240 274 I C 2.455 178.561 176.117 -0.019 0.000 1.046 274 I CA 1.866 63.148 61.300 -0.029 0.000 1.306 274 I CB -0.897 37.074 38.000 -0.048 0.000 1.018 274 I HN 0.377 nan 8.210 nan 0.000 0.404 275 S N 1.178 116.868 115.700 -0.016 0.000 2.400 275 S HA -0.283 4.187 4.470 -0.000 0.000 0.234 275 S C 2.007 176.598 174.600 -0.014 0.000 1.049 275 S CA 1.935 60.126 58.200 -0.015 0.000 1.039 275 S CB -0.865 62.328 63.200 -0.012 0.000 0.856 275 S HN 0.397 nan 8.310 nan 0.000 0.465 276 L N 1.896 123.112 121.223 -0.011 0.000 1.961 276 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 276 L C 2.722 179.585 176.870 -0.011 0.000 1.072 276 L CA 2.596 57.428 54.840 -0.014 0.000 0.749 276 L CB -1.056 40.996 42.059 -0.012 0.000 0.889 276 L HN 0.565 nan 8.230 nan 0.000 0.432 277 E N -0.992 119.209 120.200 0.001 0.000 2.086 277 E HA -0.304 4.046 4.350 -0.000 0.000 0.205 277 E C 1.533 178.164 176.600 0.052 0.000 1.027 277 E CA 2.191 58.610 56.400 0.032 0.000 0.830 277 E CB -0.317 29.405 29.700 0.038 0.000 0.751 277 E HN 0.553 nan 8.360 nan 0.000 0.456 278 T N 0.961 115.531 114.554 0.027 0.000 3.320 278 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 278 T C 1.309 176.014 174.700 0.008 0.000 1.187 278 T CA 0.409 62.523 62.100 0.024 0.000 1.038 278 T CB -0.048 68.818 68.868 -0.004 0.000 0.939 278 T HN 0.204 nan 8.240 nan 0.000 0.550 279 L N -0.451 120.766 121.223 -0.011 0.000 2.685 279 L HA 0.254 4.594 4.340 -0.000 0.000 0.235 279 L C 1.902 178.725 176.870 -0.078 0.000 1.070 279 L CA 0.432 55.247 54.840 -0.040 0.000 0.888 279 L CB 0.240 42.273 42.059 -0.044 0.000 1.203 279 L HN 0.197 nan 8.230 nan 0.000 0.499 280 E N -0.471 119.661 120.200 -0.113 0.000 2.476 280 E HA 0.010 4.359 4.350 -0.000 0.000 0.191 280 E C 0.163 176.497 176.600 -0.444 0.000 1.064 280 E CA 0.227 56.477 56.400 -0.250 0.000 0.866 280 E CB 0.339 29.875 29.700 -0.273 0.000 0.952 280 E HN 0.417 nan 8.360 nan 0.000 0.492 281 H N -0.450 118.597 119.070 -0.039 0.000 2.777 281 H HA 0.340 4.896 4.556 -0.000 0.000 0.244 281 H C -0.168 175.136 175.328 -0.040 0.000 1.185 281 H CA -0.151 55.876 56.048 -0.036 0.000 0.945 281 H CB 0.426 30.170 29.762 -0.030 0.000 1.994 281 H HN 0.032 nan 8.280 nan 0.000 0.638 282 N N -0.798 117.911 118.700 0.016 0.000 3.526 282 N HA 0.092 4.831 4.740 -0.000 0.000 0.328 282 N C 0.281 175.759 175.510 -0.052 0.000 1.601 282 N CA -0.387 52.658 53.050 -0.009 0.000 0.834 282 N CB 0.351 38.836 38.487 -0.004 0.000 1.983 282 N HN 0.189 nan 8.380 nan 0.000 0.579 283 G N 0.465 109.235 108.800 -0.051 0.000 2.515 283 G HA2 0.306 4.266 3.960 -0.000 0.000 0.290 283 G HA3 0.306 4.266 3.960 -0.000 0.000 0.290 283 G C -0.025 174.816 174.900 -0.099 0.000 0.795 283 G CA 0.297 45.354 45.100 -0.072 0.000 1.866 283 G HN 0.543 nan 8.290 nan 0.000 0.476 284 A N 5.410 128.140 122.820 -0.150 0.000 2.910 284 A HA 0.543 4.862 4.320 -0.000 0.000 0.316 284 A C -1.341 176.071 177.584 -0.287 0.000 1.493 284 A CA -1.426 50.491 52.037 -0.199 0.000 1.150 284 A CB 0.496 19.358 19.000 -0.230 0.000 1.159 284 A HN 0.477 nan 8.150 nan 0.000 0.526 285 P HA -0.011 nan 4.420 nan 0.000 0.231 285 P C 0.649 177.865 177.300 -0.139 0.000 1.756 285 P CA 0.102 63.107 63.100 -0.159 0.000 0.990 285 P CB -0.426 31.230 31.700 -0.072 0.000 1.973 286 H N 1.048 120.008 119.070 -0.184 0.000 1.452 286 H HA -0.247 4.309 4.556 -0.000 0.000 0.090 286 H C 0.547 175.653 175.328 -0.370 0.000 1.308 286 H CA 2.246 58.075 56.048 -0.366 0.000 1.901 286 H CB -1.378 28.038 29.762 -0.577 0.000 2.257 286 H HN 0.607 nan 8.280 nan 0.000 0.961 287 H N -0.231 118.916 119.070 0.129 0.000 2.539 287 H HA 0.597 5.153 4.556 -0.000 0.000 0.293 287 H C 0.802 176.146 175.328 0.026 0.000 1.156 287 H CA 0.659 56.742 56.048 0.057 0.000 1.012 287 H CB 0.165 29.954 29.762 0.045 0.000 1.600 287 H HN 0.476 nan 8.280 nan 0.000 0.538 288 A N 0.083 122.949 122.820 0.077 0.000 2.508 288 A HA 0.277 4.597 4.320 -0.000 0.000 0.257 288 A C 1.554 179.147 177.584 0.016 0.000 1.226 288 A CA -0.133 51.926 52.037 0.036 0.000 0.947 288 A CB 0.172 19.177 19.000 0.007 0.000 1.079 288 A HN 0.287 nan 8.150 nan 0.000 0.531 289 I N -0.112 120.475 120.570 0.029 0.000 2.947 289 I HA -0.060 4.110 4.170 -0.000 0.000 0.263 289 I C 2.003 178.133 176.117 0.022 0.000 1.130 289 I CA 0.778 62.085 61.300 0.011 0.000 1.448 289 I CB 0.026 38.028 38.000 0.003 0.000 1.222 289 I HN 0.503 nan 8.210 nan 0.000 0.453 290 E N 1.317 121.552 120.200 0.058 0.000 2.533 290 E HA -0.190 4.160 4.350 -0.000 0.000 0.203 290 E C 0.936 177.544 176.600 0.013 0.000 1.101 290 E CA 0.711 57.135 56.400 0.039 0.000 0.894 290 E CB -0.260 29.477 29.700 0.061 0.000 0.843 290 E HN 0.583 nan 8.360 nan 0.000 0.552 291 E N 0.019 120.224 120.200 0.008 0.000 2.460 291 E HA 0.157 4.507 4.350 -0.000 0.000 0.200 291 E C 1.278 177.859 176.600 -0.032 0.000 1.011 291 E CA 0.433 56.826 56.400 -0.011 0.000 0.912 291 E CB 0.671 30.367 29.700 -0.005 0.000 0.953 291 E HN 0.361 nan 8.360 nan 0.000 0.494 292 A N 0.508 123.312 122.820 -0.026 0.000 2.469 292 A HA 0.102 4.422 4.320 -0.000 0.000 0.245 292 A C 1.541 179.106 177.584 -0.032 0.000 1.221 292 A CA -0.214 51.801 52.037 -0.037 0.000 0.946 292 A CB 0.354 19.336 19.000 -0.030 0.000 1.049 292 A HN 0.044 nan 8.150 nan 0.000 0.529 293 E N 0.499 120.684 120.200 -0.024 0.000 2.364 293 E HA -0.057 4.292 4.350 -0.000 0.000 0.196 293 E C 1.689 178.273 176.600 -0.026 0.000 0.990 293 E CA 1.008 57.395 56.400 -0.022 0.000 0.886 293 E CB 0.232 29.920 29.700 -0.019 0.000 0.866 293 E HN 0.627 nan 8.360 nan 0.000 0.493 294 S N 0.488 116.173 115.700 -0.026 0.000 2.461 294 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 294 S C 1.984 176.585 174.600 0.002 0.000 1.005 294 S CA 0.281 58.473 58.200 -0.013 0.000 0.942 294 S CB -0.157 63.034 63.200 -0.015 0.000 0.776 294 S HN 0.212 nan 8.310 nan 0.000 0.514 295 L N 0.824 122.015 121.223 -0.053 0.000 2.056 295 L HA 0.178 4.518 4.340 -0.000 0.000 0.207 295 L C 2.218 179.060 176.870 -0.047 0.000 1.078 295 L CA 1.382 56.148 54.840 -0.124 0.000 0.749 295 L CB -0.732 41.228 42.059 -0.166 0.000 0.901 295 L HN 0.382 nan 8.230 nan 0.000 0.433 296 L N -0.649 120.577 121.223 0.005 0.000 2.072 296 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 296 L C 2.511 179.432 176.870 0.085 0.000 1.079 296 L CA 1.851 56.727 54.840 0.060 0.000 0.752 296 L CB -0.744 41.334 42.059 0.032 0.000 0.906 296 L HN 0.479 nan 8.230 nan 0.000 0.436 297 Q N -1.139 118.693 119.800 0.053 0.000 2.226 297 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 297 Q C 1.932 177.999 176.000 0.112 0.000 0.975 297 Q CA 1.956 57.788 55.803 0.047 0.000 0.866 297 Q CB -0.542 28.187 28.738 -0.015 0.000 0.915 297 Q HN 0.559 nan 8.270 nan 0.000 0.440 298 F N -0.415 119.523 119.950 -0.021 0.000 2.025 298 F HA -0.081 4.446 4.527 -0.000 0.000 0.291 298 F C 2.001 177.853 175.800 0.086 0.000 1.150 298 F CA 2.057 60.053 58.000 -0.007 0.000 1.166 298 F CB -0.644 38.290 39.000 -0.110 0.000 0.995 298 F HN 0.198 nan 8.300 nan 0.000 0.474 299 H N -0.442 118.819 119.070 0.317 0.000 2.257 299 H HA -0.220 4.336 4.556 -0.000 0.000 0.292 299 H C 2.042 177.394 175.328 0.040 0.000 1.075 299 H CA 1.882 58.023 56.048 0.155 0.000 1.212 299 H CB -0.705 29.174 29.762 0.195 0.000 1.354 299 H HN 0.154 nan 8.280 nan 0.000 0.497 300 V N 0.839 120.872 119.914 0.197 0.000 3.244 300 V HA -0.265 3.855 4.120 -0.000 0.000 0.273 300 V C 1.891 178.083 176.094 0.163 0.000 1.180 300 V CA 1.221 63.607 62.300 0.143 0.000 1.182 300 V CB -1.196 30.682 31.823 0.092 0.000 0.796 300 V HN 0.527 nan 8.190 nan 0.000 0.543 301 A N -0.872 121.994 122.820 0.077 0.000 1.963 301 A HA -0.012 4.307 4.320 -0.000 0.000 0.211 301 A C 2.274 179.840 177.584 -0.029 0.000 1.380 301 A CA 1.225 53.272 52.037 0.016 0.000 0.690 301 A CB -0.742 18.228 19.000 -0.051 0.000 1.060 301 A HN 0.318 nan 8.150 nan 0.000 0.498 302 T N -0.960 113.496 114.554 -0.164 0.000 2.699 302 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 302 T C 1.726 176.439 174.700 0.022 0.000 1.036 302 T CA 2.103 64.107 62.100 -0.161 0.000 1.147 302 T CB -0.530 68.121 68.868 -0.360 0.000 0.862 302 T HN 0.520 nan 8.240 nan 0.000 0.446 303 Y N 0.940 121.217 120.300 -0.039 0.000 2.219 303 Y HA -0.229 4.321 4.550 -0.000 0.000 0.283 303 Y C 1.979 177.888 175.900 0.013 0.000 1.191 303 Y CA 1.676 59.776 58.100 -0.001 0.000 1.199 303 Y CB -0.347 38.123 38.460 0.017 0.000 0.972 303 Y HN 0.288 nan 8.280 nan 0.000 0.527 304 M N -1.335 118.233 119.600 -0.054 0.000 2.557 304 M HA 0.059 4.539 4.480 -0.000 0.000 0.262 304 M C -0.138 176.128 176.300 -0.057 0.000 1.168 304 M CA 0.745 55.956 55.300 -0.149 0.000 1.194 304 M CB 0.343 32.936 32.600 -0.012 0.000 1.311 304 M HN -0.015 nan 8.290 nan 0.000 0.489 305 D N -0.114 120.265 120.400 -0.035 0.000 2.787 305 D HA 0.232 4.872 4.640 -0.000 0.000 0.246 305 D C -1.156 175.113 176.300 -0.051 0.000 1.150 305 D CA -0.047 53.934 54.000 -0.031 0.000 0.864 305 D CB 1.415 42.208 40.800 -0.011 0.000 1.481 305 D HN -0.080 nan 8.370 nan 0.000 0.509 306 N N 2.212 120.888 118.700 -0.041 0.000 2.305 306 N HA 0.098 4.838 4.740 -0.000 0.000 0.248 306 N C -1.118 174.382 175.510 -0.018 0.000 1.290 306 N CA -0.078 52.951 53.050 -0.036 0.000 0.873 306 N CB 0.635 39.112 38.487 -0.015 0.000 1.261 306 N HN 0.329 nan 8.380 nan 0.000 0.504 307 D N 0.927 121.315 120.400 -0.021 0.000 2.957 307 D HA 0.233 4.873 4.640 -0.000 0.000 0.352 307 D C 0.573 176.867 176.300 -0.010 0.000 1.352 307 D CA -0.127 53.866 54.000 -0.013 0.000 0.831 307 D CB 1.128 41.915 40.800 -0.022 0.000 1.147 307 D HN 0.305 nan 8.370 nan 0.000 0.467 308 I N -0.026 120.541 120.570 -0.006 0.000 3.418 308 I HA 0.197 4.367 4.170 -0.000 0.000 0.279 308 I C 1.877 178.002 176.117 0.013 0.000 1.143 308 I CA -0.521 60.780 61.300 0.001 0.000 0.983 308 I CB 0.609 38.609 38.000 0.001 0.000 1.558 308 I HN -0.094 nan 8.210 nan 0.000 0.766 309 A N 1.529 124.360 122.820 0.018 0.000 1.943 309 A HA 0.146 4.466 4.320 -0.000 0.000 0.213 309 A C 1.680 179.284 177.584 0.034 0.000 1.181 309 A CA 0.855 52.905 52.037 0.023 0.000 0.653 309 A CB -0.961 18.052 19.000 0.021 0.000 0.833 309 A HN 0.881 nan 8.150 nan 0.000 0.451 310 G N 0.116 108.943 108.800 0.045 0.000 2.852 310 G HA2 0.306 4.265 3.960 -0.000 0.000 0.280 310 G HA3 0.306 4.265 3.960 -0.000 0.000 0.280 310 G C 0.548 175.493 174.900 0.074 0.000 0.731 310 G CA 0.205 45.342 45.100 0.061 0.000 2.037 310 G HN 0.593 nan 8.290 nan 0.000 0.560 311 Q N 0.769 120.605 119.800 0.060 0.000 2.463 311 Q HA -0.258 4.082 4.340 -0.000 0.000 0.231 311 Q C -1.020 175.034 176.000 0.089 0.000 1.097 311 Q CA 2.011 57.851 55.803 0.062 0.000 0.992 311 Q CB -1.739 27.030 28.738 0.050 0.000 0.999 311 Q HN 0.459 nan 8.270 nan 0.000 0.536 312 P HA -0.198 nan 4.420 nan 0.000 0.220 312 P C -0.275 177.142 177.300 0.194 0.000 1.000 312 P CA 1.017 64.213 63.100 0.159 0.000 0.905 312 P CB -0.026 31.802 31.700 0.214 0.000 0.858 313 Q N 2.884 122.769 119.800 0.143 0.000 2.436 313 Q HA -0.011 4.329 4.340 -0.000 0.000 0.209 313 Q C 1.170 177.276 176.000 0.177 0.000 0.965 313 Q CA 0.942 56.819 55.803 0.124 0.000 0.910 313 Q CB -0.048 28.740 28.738 0.083 0.000 0.980 313 Q HN 0.616 nan 8.270 nan 0.000 0.491 314 A N 0.531 123.514 122.820 0.273 0.000 2.914 314 A HA -0.182 4.138 4.320 -0.000 0.000 0.280 314 A C 0.088 177.799 177.584 0.211 0.000 1.447 314 A CA 0.108 52.361 52.037 0.360 0.000 0.759 314 A CB -2.352 16.923 19.000 0.459 0.000 1.034 314 A HN 0.370 nan 8.150 nan 0.000 0.529 315 L N -0.122 121.189 121.223 0.146 0.000 2.543 315 L HA 0.090 4.430 4.340 -0.000 0.000 0.285 315 L C 1.163 178.096 176.870 0.105 0.000 1.236 315 L CA 0.559 55.463 54.840 0.106 0.000 0.871 315 L CB 0.358 42.464 42.059 0.077 0.000 1.121 315 L HN 0.708 nan 8.230 nan 0.000 0.501 316 Q N 3.620 123.479 119.800 0.098 0.000 2.243 316 Q HA 0.136 4.475 4.340 -0.000 0.000 0.252 316 Q C -0.513 175.529 176.000 0.070 0.000 0.909 316 Q CA -0.791 55.070 55.803 0.096 0.000 0.922 316 Q CB 1.059 29.876 28.738 0.132 0.000 1.215 316 Q HN 0.402 nan 8.270 nan 0.000 0.427 317 K N 2.033 122.460 120.400 0.045 0.000 2.362 317 K HA -0.198 4.122 4.320 -0.000 0.000 0.261 317 K C 0.132 176.758 176.600 0.043 0.000 1.195 317 K CA 1.495 57.800 56.287 0.031 0.000 1.233 317 K CB -0.210 32.293 32.500 0.005 0.000 0.795 317 K HN 0.927 nan 8.250 nan 0.000 0.498 318 S N 0.364 116.087 115.700 0.039 0.000 1.626 318 S HA -0.086 4.384 4.470 -0.000 0.000 0.244 318 S C 0.904 175.527 174.600 0.038 0.000 1.133 318 S CA 0.499 58.721 58.200 0.038 0.000 1.078 318 S CB -1.584 61.645 63.200 0.048 0.000 1.308 318 S HN 1.235 nan 8.310 nan 0.000 0.557 319 G N 1.695 110.520 108.800 0.043 0.000 2.176 319 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 319 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 319 G C -0.144 174.783 174.900 0.046 0.000 0.979 319 G CA 0.408 45.533 45.100 0.042 0.000 0.641 319 G HN 0.887 nan 8.290 nan 0.000 0.530 320 R N 1.051 121.583 120.500 0.052 0.000 2.296 320 R HA 0.323 4.663 4.340 -0.000 0.000 0.323 320 R C -0.718 175.618 176.300 0.060 0.000 1.067 320 R CA -1.190 54.941 56.100 0.052 0.000 0.946 320 R CB 0.556 30.890 30.300 0.056 0.000 0.991 320 R HN 0.049 nan 8.270 nan 0.000 0.448 321 P HA -0.265 nan 4.420 nan 0.000 0.225 321 P C -0.535 176.803 177.300 0.063 0.000 1.154 321 P CA 1.244 64.376 63.100 0.053 0.000 0.933 321 P CB 0.133 31.855 31.700 0.036 0.000 0.790 322 V N -2.969 116.980 119.914 0.058 0.000 3.041 322 V HA -0.112 4.008 4.120 -0.000 0.000 0.441 322 V C -0.212 175.905 176.094 0.037 0.000 0.682 322 V CA -0.311 62.028 62.300 0.064 0.000 1.975 322 V CB -0.893 30.983 31.823 0.088 0.000 2.460 322 V HN 0.125 nan 8.190 nan 0.000 0.490 323 K N 3.971 124.385 120.400 0.024 0.000 2.315 323 K HA 0.478 4.798 4.320 -0.000 0.000 0.291 323 K C 0.649 177.242 176.600 -0.011 0.000 1.074 323 K CA 0.437 56.724 56.287 -0.001 0.000 0.936 323 K CB 0.808 33.300 32.500 -0.012 0.000 1.049 323 K HN 0.864 nan 8.250 nan 0.000 0.471 324 S N 2.492 118.176 115.700 -0.026 0.000 2.603 324 S HA 0.212 4.682 4.470 -0.000 0.000 0.268 324 S C 1.482 176.022 174.600 -0.100 0.000 1.317 324 S CA -0.821 57.345 58.200 -0.057 0.000 1.012 324 S CB 0.768 63.938 63.200 -0.050 0.000 0.926 324 S HN 0.487 nan 8.310 nan 0.000 0.539 325 I N 1.508 121.971 120.570 -0.178 0.000 2.069 325 I HA -0.291 3.879 4.170 -0.000 0.000 0.237 325 I C 3.009 179.052 176.117 -0.123 0.000 1.053 325 I CA 2.242 63.435 61.300 -0.178 0.000 1.311 325 I CB -0.573 37.270 38.000 -0.262 0.000 1.030 325 I HN 0.904 nan 8.210 nan 0.000 0.398 326 R N 1.860 122.294 120.500 -0.110 0.000 2.159 326 R HA -0.305 4.035 4.340 -0.000 0.000 0.249 326 R C 2.261 178.486 176.300 -0.125 0.000 1.136 326 R CA 2.506 58.523 56.100 -0.138 0.000 0.951 326 R CB -0.863 29.370 30.300 -0.111 0.000 0.876 326 R HN 0.361 nan 8.270 nan 0.000 0.440 327 A N 1.034 123.799 122.820 -0.092 0.000 1.971 327 A HA -0.224 4.096 4.320 -0.000 0.000 0.222 327 A C 2.278 179.820 177.584 -0.070 0.000 1.182 327 A CA 1.983 53.976 52.037 -0.073 0.000 0.649 327 A CB -0.682 18.287 19.000 -0.052 0.000 0.818 327 A HN 0.550 nan 8.150 nan 0.000 0.458 328 R N -0.834 119.622 120.500 -0.073 0.000 2.152 328 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 328 R C 1.691 177.952 176.300 -0.065 0.000 1.117 328 R CA 1.377 57.440 56.100 -0.062 0.000 0.981 328 R CB -0.341 29.924 30.300 -0.060 0.000 0.870 328 R HN 0.610 nan 8.270 nan 0.000 0.451 329 L N -0.040 121.129 121.223 -0.088 0.000 2.408 329 L HA 0.131 4.471 4.340 -0.000 0.000 0.215 329 L C 0.924 177.737 176.870 -0.094 0.000 1.081 329 L CA -0.148 54.636 54.840 -0.093 0.000 0.840 329 L CB -0.236 41.745 42.059 -0.129 0.000 1.002 329 L HN -0.045 nan 8.230 nan 0.000 0.468 330 K N 2.220 122.557 120.400 -0.104 0.000 2.548 330 K HA -0.015 4.305 4.320 -0.000 0.000 0.277 330 K C 0.721 177.280 176.600 -0.068 0.000 1.001 330 K CA 0.340 56.568 56.287 -0.097 0.000 1.102 330 K CB 0.330 32.778 32.500 -0.087 0.000 0.848 330 K HN 0.178 nan 8.250 nan 0.000 0.487 331 G N 3.400 112.161 108.800 -0.066 0.000 2.497 331 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.228 331 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.228 331 G C -0.460 174.430 174.900 -0.016 0.000 1.190 331 G CA 0.528 45.608 45.100 -0.034 0.000 0.857 331 G HN 0.963 nan 8.290 nan 0.000 0.526 332 K N 0.544 120.947 120.400 0.005 0.000 7.163 332 K HA -0.258 4.062 4.320 -0.000 0.000 0.574 332 K C 0.912 177.511 176.600 -0.003 0.000 2.584 332 K CA 1.538 57.831 56.287 0.009 0.000 2.032 332 K CB -0.347 32.161 32.500 0.013 0.000 2.177 332 K HN 0.943 nan 8.250 nan 0.000 0.203 333 E N -1.689 118.512 120.200 0.001 0.000 3.449 333 E HA -0.239 4.111 4.350 -0.000 0.000 0.289 333 E C 0.352 176.946 176.600 -0.010 0.000 0.870 333 E CA 2.104 58.502 56.400 -0.003 0.000 0.946 333 E CB -1.560 28.137 29.700 -0.006 0.000 1.476 333 E HN 0.810 nan 8.360 nan 0.000 0.466 334 G N -0.358 108.434 108.800 -0.013 0.000 2.666 334 G HA2 0.454 4.414 3.960 -0.000 0.000 0.303 334 G HA3 0.454 4.414 3.960 -0.000 0.000 0.303 334 G C 0.453 175.340 174.900 -0.021 0.000 1.412 334 G CA 0.069 45.156 45.100 -0.022 0.000 0.979 334 G HN -0.005 nan 8.290 nan 0.000 0.507 335 R N 1.270 121.758 120.500 -0.021 0.000 2.724 335 R HA -0.346 3.994 4.340 -0.000 0.000 0.397 335 R C 2.346 178.638 176.300 -0.013 0.000 0.893 335 R CA 2.347 58.436 56.100 -0.018 0.000 0.277 335 R CB -1.117 29.167 30.300 -0.025 0.000 0.596 335 R HN 0.516 nan 8.270 nan 0.000 0.234 336 I N 0.020 120.578 120.570 -0.019 0.000 2.148 336 I HA -0.379 3.791 4.170 -0.000 0.000 0.229 336 I C 2.499 178.616 176.117 0.001 0.000 0.993 336 I CA 2.416 63.709 61.300 -0.011 0.000 1.295 336 I CB -1.183 36.804 38.000 -0.023 0.000 1.004 336 I HN 0.482 nan 8.210 nan 0.000 0.386 337 R N 0.278 120.780 120.500 0.003 0.000 2.148 337 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 337 R C 2.038 178.345 176.300 0.012 0.000 1.088 337 R CA 1.347 57.457 56.100 0.016 0.000 0.985 337 R CB -0.171 30.147 30.300 0.030 0.000 0.880 337 R HN 0.549 nan 8.270 nan 0.000 0.451 338 G N -1.131 107.671 108.800 0.004 0.000 2.850 338 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.211 338 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.211 338 G C 0.951 175.853 174.900 0.003 0.000 1.124 338 G CA -0.191 44.912 45.100 0.005 0.000 0.769 338 G HN 0.217 nan 8.290 nan 0.000 0.535 339 N N -0.361 118.339 118.700 -0.000 0.000 2.397 339 N HA 0.234 4.974 4.740 -0.000 0.000 0.190 339 N C 1.687 177.197 175.510 0.000 0.000 1.099 339 N CA 0.092 53.142 53.050 -0.000 0.000 0.876 339 N CB 0.780 39.265 38.487 -0.004 0.000 1.143 339 N HN 0.220 nan 8.380 nan 0.000 0.468 340 L N 0.022 121.245 121.223 0.000 0.000 2.435 340 L HA 0.249 4.589 4.340 -0.000 0.000 0.195 340 L C 1.810 178.679 176.870 -0.001 0.000 1.072 340 L CA 0.232 55.072 54.840 0.000 0.000 0.833 340 L CB -0.077 41.983 42.059 0.002 0.000 1.081 340 L HN -0.030 nan 8.230 nan 0.000 0.485 341 M N 0.105 119.707 119.600 0.003 0.000 2.630 341 M HA 0.147 4.627 4.480 -0.000 0.000 0.254 341 M C 0.562 176.860 176.300 -0.004 0.000 1.092 341 M CA 0.471 55.772 55.300 0.001 0.000 1.087 341 M CB -0.595 32.011 32.600 0.010 0.000 1.453 341 M HN 0.237 nan 8.290 nan 0.000 0.509 342 G N 0.713 109.512 108.800 -0.002 0.000 2.596 342 G HA2 0.455 4.415 3.960 -0.000 0.000 0.300 342 G HA3 0.455 4.415 3.960 -0.000 0.000 0.300 342 G C -1.042 173.858 174.900 0.001 0.000 1.370 342 G CA -0.785 44.313 45.100 -0.003 0.000 1.170 342 G HN 0.172 nan 8.290 nan 0.000 0.594 343 K N 0.992 121.391 120.400 -0.000 0.000 2.331 343 K HA 0.697 5.017 4.320 -0.000 0.000 0.238 343 K C -0.028 176.583 176.600 0.018 0.000 1.058 343 K CA -1.079 55.213 56.287 0.008 0.000 0.871 343 K CB 2.267 34.771 32.500 0.006 0.000 1.292 343 K HN 0.367 nan 8.250 nan 0.000 0.470 344 R N 0.465 120.982 120.500 0.028 0.000 2.528 344 R HA 0.490 4.830 4.340 -0.000 0.000 0.271 344 R C -0.594 175.738 176.300 0.053 0.000 1.056 344 R CA -0.578 55.549 56.100 0.045 0.000 1.117 344 R CB 1.381 31.706 30.300 0.042 0.000 1.085 344 R HN 0.515 nan 8.270 nan 0.000 0.530 345 V N -1.571 118.393 119.914 0.083 0.000 3.181 345 V HA 0.520 4.640 4.120 -0.000 0.000 0.308 345 V C -1.209 174.974 176.094 0.149 0.000 1.214 345 V CA -1.007 61.354 62.300 0.102 0.000 1.053 345 V CB 2.354 34.224 31.823 0.078 0.000 1.069 345 V HN 0.616 nan 8.190 nan 0.000 0.441 346 D N 0.419 120.944 120.400 0.208 0.000 2.466 346 D HA 0.545 5.185 4.640 -0.000 0.000 0.262 346 D C -0.279 176.266 176.300 0.409 0.000 1.177 346 D CA 0.152 54.292 54.000 0.232 0.000 1.035 346 D CB 0.496 41.463 40.800 0.279 0.000 1.105 346 D HN 0.748 nan 8.370 nan 0.000 0.551 347 F N -0.297 119.719 119.950 0.109 0.000 2.773 347 F HA -0.232 4.294 4.527 -0.000 0.000 0.251 347 F C 0.284 176.188 175.800 0.173 0.000 1.020 347 F CA 0.146 58.225 58.000 0.131 0.000 0.924 347 F CB -1.986 37.092 39.000 0.130 0.000 0.919 347 F HN 0.179 nan 8.300 nan 0.000 0.846 348 S N -0.758 115.083 115.700 0.234 0.000 2.550 348 S HA 1.006 5.476 4.470 -0.000 0.000 0.270 348 S C -0.650 174.021 174.600 0.118 0.000 1.145 348 S CA -0.364 57.954 58.200 0.196 0.000 0.852 348 S CB 2.511 65.871 63.200 0.265 0.000 1.119 348 S HN 1.505 nan 8.310 nan 0.000 0.465 349 A N 1.119 124.001 122.820 0.104 0.000 2.609 349 A HA 0.950 5.270 4.320 -0.000 0.000 0.291 349 A C -1.001 176.738 177.584 0.259 0.000 1.096 349 A CA -0.901 51.242 52.037 0.176 0.000 0.684 349 A CB 1.801 20.945 19.000 0.240 0.000 1.282 349 A HN 1.226 nan 8.150 nan 0.000 0.412 350 R N 0.193 120.869 120.500 0.292 0.000 2.561 350 R HA 0.674 5.014 4.340 -0.000 0.000 0.266 350 R C -0.845 175.605 176.300 0.250 0.000 1.091 350 R CA 0.442 56.777 56.100 0.391 0.000 0.927 350 R CB 1.762 32.149 30.300 0.146 0.000 1.240 350 R HN 1.422 nan 8.270 nan 0.000 0.449 351 T N -1.128 113.601 114.554 0.291 0.000 2.584 351 T HA 0.437 4.787 4.350 -0.000 0.000 0.273 351 T C -0.962 173.792 174.700 0.091 0.000 0.978 351 T CA -0.491 61.590 62.100 -0.031 0.000 1.159 351 T CB 0.875 69.493 68.868 -0.417 0.000 1.556 351 T HN 0.205 nan 8.240 nan 0.000 0.472 352 V N 2.408 122.328 119.914 0.010 0.000 2.481 352 V HA 0.549 4.669 4.120 -0.000 0.000 0.286 352 V C 0.328 176.490 176.094 0.113 0.000 1.042 352 V CA -0.929 61.413 62.300 0.070 0.000 0.928 352 V CB 0.898 32.736 31.823 0.025 0.000 0.986 352 V HN 0.824 nan 8.190 nan 0.000 0.462 353 I N 2.872 123.549 120.570 0.178 0.000 2.499 353 I HA 0.860 5.030 4.170 -0.000 0.000 0.296 353 I C 0.014 176.109 176.117 -0.037 0.000 0.992 353 I CA 0.081 61.487 61.300 0.177 0.000 1.297 353 I CB 1.832 40.005 38.000 0.289 0.000 1.410 353 I HN 0.645 nan 8.210 nan 0.000 0.507 354 S N 2.954 118.400 115.700 -0.423 0.000 2.536 354 S HA 0.710 5.180 4.470 -0.000 0.000 0.271 354 S C -0.140 173.720 174.600 -1.234 0.000 1.134 354 S CA -0.691 56.873 58.200 -1.060 0.000 0.897 354 S CB 1.168 64.084 63.200 -0.473 0.000 1.094 354 S HN 1.130 nan 8.310 nan 0.000 0.473 355 G N 0.382 108.071 108.800 -1.851 0.000 2.569 355 G HA2 0.473 4.433 3.960 -0.000 0.000 0.249 355 G HA3 0.473 4.433 3.960 -0.000 0.000 0.249 355 G C -0.937 173.808 174.900 -0.258 0.000 1.216 355 G CA -0.075 44.672 45.100 -0.589 0.000 0.845 355 G HN 0.763 nan 8.290 nan 0.000 0.568 356 D N 0.823 121.170 120.400 -0.088 0.000 2.365 356 D HA 0.186 4.826 4.640 -0.000 0.000 0.235 356 D C -2.040 174.271 176.300 0.018 0.000 1.368 356 D CA -1.259 52.711 54.000 -0.050 0.000 1.001 356 D CB 2.120 42.874 40.800 -0.076 0.000 1.364 356 D HN 0.138 nan 8.370 nan 0.000 0.577 357 P HA 0.055 nan 4.420 nan 0.000 0.259 357 P C 0.135 177.497 177.300 0.103 0.000 1.307 357 P CA 0.185 63.341 63.100 0.093 0.000 0.768 357 P CB 0.282 32.046 31.700 0.107 0.000 1.199 358 N N -0.684 118.053 118.700 0.062 0.000 2.177 358 N HA 0.185 4.925 4.740 -0.000 0.000 0.218 358 N C 0.283 175.799 175.510 0.011 0.000 1.182 358 N CA 0.006 53.084 53.050 0.047 0.000 0.882 358 N CB 0.786 39.290 38.487 0.028 0.000 1.052 358 N HN 0.243 nan 8.380 nan 0.000 0.519 359 L N 1.226 122.456 121.223 0.013 0.000 2.334 359 L HA 0.350 4.690 4.340 -0.000 0.000 0.275 359 L C 0.556 177.439 176.870 0.021 0.000 1.036 359 L CA -0.854 53.984 54.840 -0.002 0.000 0.807 359 L CB 1.181 43.226 42.059 -0.024 0.000 1.231 359 L HN -0.151 nan 8.230 nan 0.000 0.438 360 E N 1.208 121.417 120.200 0.015 0.000 2.409 360 E HA -0.021 4.328 4.350 -0.000 0.000 0.257 360 E C 0.734 177.353 176.600 0.032 0.000 1.150 360 E CA -0.288 56.131 56.400 0.031 0.000 0.942 360 E CB 0.895 30.606 29.700 0.018 0.000 0.979 360 E HN 0.424 nan 8.360 nan 0.000 0.447 361 L N 2.165 123.403 121.223 0.024 0.000 1.978 361 L HA -0.262 4.078 4.340 -0.000 0.000 0.218 361 L C 1.503 178.391 176.870 0.029 0.000 1.075 361 L CA 2.627 57.454 54.840 -0.023 0.000 0.767 361 L CB -0.748 41.201 42.059 -0.182 0.000 0.890 361 L HN 0.613 nan 8.230 nan 0.000 0.434 362 D N -1.311 119.091 120.400 0.003 0.000 2.392 362 D HA -0.120 4.520 4.640 -0.000 0.000 0.228 362 D C 0.730 177.106 176.300 0.126 0.000 1.003 362 D CA 0.390 54.400 54.000 0.016 0.000 0.917 362 D CB -0.370 40.398 40.800 -0.053 0.000 0.890 362 D HN 0.567 nan 8.370 nan 0.000 0.532 363 Q N -0.706 119.159 119.800 0.108 0.000 2.185 363 Q HA 0.567 4.907 4.340 -0.000 0.000 0.225 363 Q C -1.031 174.934 176.000 -0.057 0.000 0.983 363 Q CA -0.988 54.840 55.803 0.041 0.000 0.950 363 Q CB 2.517 31.246 28.738 -0.015 0.000 1.176 363 Q HN 0.054 nan 8.270 nan 0.000 0.510 364 V N -0.280 119.514 119.914 -0.200 0.000 2.789 364 V HA 0.512 4.632 4.120 -0.000 0.000 0.300 364 V C -1.028 174.901 176.094 -0.275 0.000 1.184 364 V CA -0.430 61.593 62.300 -0.461 0.000 0.930 364 V CB 1.856 33.155 31.823 -0.873 0.000 1.041 364 V HN 0.813 nan 8.190 nan 0.000 0.430 365 G N 5.566 114.233 108.800 -0.221 0.000 2.372 365 G HA2 0.508 4.468 3.960 -0.000 0.000 0.286 365 G HA3 0.508 4.468 3.960 -0.000 0.000 0.286 365 G C -0.596 174.288 174.900 -0.026 0.000 1.153 365 G CA -0.141 44.895 45.100 -0.106 0.000 0.985 365 G HN 0.900 nan 8.290 nan 0.000 0.429 366 V N 6.082 125.982 119.914 -0.024 0.000 2.398 366 V HA 0.358 4.478 4.120 -0.000 0.000 0.286 366 V C -1.840 174.212 176.094 -0.070 0.000 1.026 366 V CA -1.817 60.497 62.300 0.023 0.000 0.868 366 V CB 2.105 33.960 31.823 0.053 0.000 0.982 366 V HN 0.641 nan 8.190 nan 0.000 0.443 367 P HA 0.148 nan 4.420 nan 0.000 0.276 367 P C 0.555 177.757 177.300 -0.163 0.000 1.243 367 P CA -0.288 62.721 63.100 -0.151 0.000 0.768 367 P CB 1.192 32.780 31.700 -0.186 0.000 0.856 368 K N 3.479 123.753 120.400 -0.211 0.000 2.066 368 K HA -0.322 3.998 4.320 -0.000 0.000 0.221 368 K C 1.984 178.478 176.600 -0.176 0.000 1.056 368 K CA 2.740 58.860 56.287 -0.278 0.000 0.950 368 K CB -0.767 31.568 32.500 -0.275 0.000 0.726 368 K HN 0.394 nan 8.250 nan 0.000 0.456 369 S N 0.290 115.903 115.700 -0.145 0.000 2.407 369 S HA -0.253 4.217 4.470 -0.000 0.000 0.244 369 S C 1.925 176.481 174.600 -0.073 0.000 1.077 369 S CA 2.206 60.342 58.200 -0.106 0.000 1.159 369 S CB -0.452 62.682 63.200 -0.110 0.000 1.045 369 S HN 0.436 nan 8.310 nan 0.000 0.438 370 I N 1.507 122.033 120.570 -0.075 0.000 2.193 370 I HA -0.065 4.105 4.170 -0.000 0.000 0.240 370 I C 2.932 179.072 176.117 0.038 0.000 1.084 370 I CA 0.982 62.271 61.300 -0.018 0.000 1.365 370 I CB -0.742 37.247 38.000 -0.019 0.000 1.064 370 I HN 0.468 nan 8.210 nan 0.000 0.410 371 A N 0.641 123.473 122.820 0.019 0.000 2.093 371 A HA -0.239 4.081 4.320 -0.000 0.000 0.222 371 A C 2.142 179.837 177.584 0.185 0.000 1.162 371 A CA 1.693 53.790 52.037 0.100 0.000 0.655 371 A CB -0.510 18.501 19.000 0.019 0.000 0.805 371 A HN 0.392 nan 8.150 nan 0.000 0.461 372 K N -1.536 118.904 120.400 0.067 0.000 2.404 372 K HA 0.070 4.390 4.320 -0.000 0.000 0.194 372 K C 1.218 177.977 176.600 0.265 0.000 1.023 372 K CA 0.882 57.194 56.287 0.041 0.000 1.094 372 K CB 0.167 32.581 32.500 -0.143 0.000 0.841 372 K HN 0.431 nan 8.250 nan 0.000 0.523 373 T N 0.833 115.478 114.554 0.152 0.000 3.044 373 T HA 0.186 4.536 4.350 -0.000 0.000 0.237 373 T C 0.644 175.376 174.700 0.055 0.000 1.001 373 T CA 0.005 62.148 62.100 0.071 0.000 1.160 373 T CB 0.278 69.158 68.868 0.020 0.000 0.889 373 T HN -0.019 nan 8.240 nan 0.000 0.442 374 L N 2.030 123.315 121.223 0.103 0.000 2.426 374 L HA 0.421 4.761 4.340 -0.000 0.000 0.271 374 L C 0.349 177.334 176.870 0.193 0.000 1.169 374 L CA 0.010 54.927 54.840 0.129 0.000 0.836 374 L CB 0.679 42.850 42.059 0.187 0.000 1.112 374 L HN 0.154 nan 8.230 nan 0.000 0.465 375 T N 1.469 116.185 114.554 0.271 0.000 2.909 375 T HA 0.415 4.765 4.350 -0.000 0.000 0.299 375 T C -1.488 173.483 174.700 0.453 0.000 1.073 375 T CA -0.424 61.853 62.100 0.295 0.000 0.999 375 T CB 1.127 70.096 68.868 0.167 0.000 1.098 375 T HN 0.363 nan 8.240 nan 0.000 0.477 376 Y N 6.514 126.917 120.300 0.170 0.000 2.328 376 Y HA 0.575 5.125 4.550 -0.000 0.000 0.336 376 Y C -2.494 173.445 175.900 0.065 0.000 0.960 376 Y CA -2.644 55.516 58.100 0.100 0.000 1.134 376 Y CB 1.891 40.393 38.460 0.071 0.000 1.166 376 Y HN 0.381 nan 8.280 nan 0.000 0.464 377 P HA 0.083 nan 4.420 nan 0.000 0.276 377 P C -0.932 175.967 177.300 -0.669 0.000 1.264 377 P CA 0.199 63.013 63.100 -0.476 0.000 0.769 377 P CB 1.084 32.572 31.700 -0.354 0.000 0.840 378 E N 2.592 122.622 120.200 -0.283 0.000 2.207 378 E HA 0.380 4.730 4.350 -0.000 0.000 0.270 378 E C -0.916 175.646 176.600 -0.063 0.000 0.927 378 E CA -1.054 55.274 56.400 -0.121 0.000 0.799 378 E CB 1.465 31.192 29.700 0.046 0.000 1.172 378 E HN 0.132 nan 8.360 nan 0.000 0.404 379 V N 4.004 123.899 119.914 -0.031 0.000 2.350 379 V HA 0.158 4.278 4.120 -0.000 0.000 0.276 379 V C -0.029 176.053 176.094 -0.020 0.000 1.028 379 V CA -1.008 61.285 62.300 -0.011 0.000 0.860 379 V CB 1.183 33.001 31.823 -0.008 0.000 0.990 379 V HN 0.534 nan 8.190 nan 0.000 0.453 380 V N 4.860 124.767 119.914 -0.013 0.000 2.536 380 V HA -0.001 4.119 4.120 -0.000 0.000 0.287 380 V C 0.790 176.760 176.094 -0.206 0.000 0.979 380 V CA 1.175 63.413 62.300 -0.103 0.000 1.161 380 V CB -0.426 31.344 31.823 -0.090 0.000 0.915 380 V HN 1.012 nan 8.190 nan 0.000 0.467 381 T N 8.169 122.559 114.554 -0.273 0.000 2.876 381 T HA 0.414 4.764 4.350 -0.000 0.000 0.289 381 T C -1.413 173.003 174.700 -0.474 0.000 1.014 381 T CA -1.160 60.715 62.100 -0.374 0.000 0.986 381 T CB 2.259 70.896 68.868 -0.385 0.000 1.021 381 T HN 0.430 nan 8.240 nan 0.000 0.458 382 P HA -0.187 nan 4.420 nan 0.000 0.219 382 P C 0.880 178.180 177.300 -0.000 0.000 1.144 382 P CA 1.569 64.576 63.100 -0.156 0.000 0.806 382 P CB -0.009 31.849 31.700 0.263 0.000 0.771 383 Y N 1.108 121.400 120.300 -0.012 0.000 2.242 383 Y HA -0.175 4.375 4.550 -0.000 0.000 0.291 383 Y C 2.456 178.338 175.900 -0.029 0.000 1.137 383 Y CA 0.975 59.071 58.100 -0.007 0.000 1.181 383 Y CB -0.823 37.641 38.460 0.007 0.000 0.989 383 Y HN 0.211 nan 8.280 nan 0.000 0.527 384 N N -0.987 117.748 118.700 0.058 0.000 2.510 384 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 384 N C 1.409 176.883 175.510 -0.060 0.000 1.051 384 N CA 0.153 53.209 53.050 0.010 0.000 0.877 384 N CB -0.527 37.971 38.487 0.019 0.000 1.183 384 N HN -0.011 nan 8.380 nan 0.000 0.443 385 I N 2.175 122.648 120.570 -0.162 0.000 3.642 385 I HA -0.492 3.678 4.170 -0.000 0.000 0.171 385 I C 1.172 177.225 176.117 -0.108 0.000 0.746 385 I CA 2.249 63.422 61.300 -0.211 0.000 1.031 385 I CB -1.088 36.718 38.000 -0.324 0.000 0.825 385 I HN 0.343 nan 8.210 nan 0.000 0.296 386 D N -0.336 120.022 120.400 -0.071 0.000 2.212 386 D HA -0.264 4.376 4.640 -0.000 0.000 0.197 386 D C 2.051 178.337 176.300 -0.023 0.000 1.004 386 D CA 1.999 55.978 54.000 -0.035 0.000 0.864 386 D CB -0.593 40.198 40.800 -0.015 0.000 1.027 386 D HN 0.408 nan 8.370 nan 0.000 0.455 387 R N 0.634 121.127 120.500 -0.011 0.000 2.140 387 R HA -0.194 4.146 4.340 -0.000 0.000 0.250 387 R C 2.668 178.966 176.300 -0.004 0.000 1.150 387 R CA 1.213 57.312 56.100 -0.002 0.000 0.966 387 R CB -0.556 29.750 30.300 0.009 0.000 0.869 387 R HN 0.190 nan 8.270 nan 0.000 0.445 388 L N -0.341 120.875 121.223 -0.011 0.000 1.994 388 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 388 L C 2.362 179.230 176.870 -0.004 0.000 1.071 388 L CA 1.970 56.806 54.840 -0.006 0.000 0.745 388 L CB -0.384 41.664 42.059 -0.019 0.000 0.892 388 L HN 0.320 nan 8.230 nan 0.000 0.431 389 T N -1.392 113.152 114.554 -0.016 0.000 2.803 389 T HA -0.286 4.064 4.350 -0.000 0.000 0.269 389 T C 1.710 176.411 174.700 0.002 0.000 1.052 389 T CA 1.470 63.566 62.100 -0.006 0.000 1.136 389 T CB -0.145 68.712 68.868 -0.019 0.000 0.864 389 T HN 0.224 nan 8.240 nan 0.000 0.467 390 Q N 0.880 120.679 119.800 -0.002 0.000 2.046 390 Q HA 0.042 4.382 4.340 -0.000 0.000 0.200 390 Q C 2.131 178.134 176.000 0.004 0.000 0.975 390 Q CA 1.420 57.224 55.803 0.001 0.000 0.836 390 Q CB -0.711 28.026 28.738 -0.002 0.000 0.896 390 Q HN 0.512 nan 8.270 nan 0.000 0.428 391 L N -0.719 120.506 121.223 0.004 0.000 1.990 391 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 391 L C 2.315 179.193 176.870 0.012 0.000 1.072 391 L CA 1.350 56.195 54.840 0.008 0.000 0.755 391 L CB -0.781 41.283 42.059 0.009 0.000 0.889 391 L HN 0.130 nan 8.230 nan 0.000 0.432 392 V N -0.368 119.554 119.914 0.012 0.000 2.231 392 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 392 V C 2.622 178.728 176.094 0.019 0.000 1.054 392 V CA 1.937 64.247 62.300 0.017 0.000 1.015 392 V CB -0.742 31.101 31.823 0.033 0.000 0.638 392 V HN 0.406 nan 8.190 nan 0.000 0.444 393 R N -0.058 120.454 120.500 0.019 0.000 2.097 393 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 393 R C 2.375 178.686 176.300 0.018 0.000 1.135 393 R CA 1.917 58.028 56.100 0.019 0.000 0.934 393 R CB -0.748 29.560 30.300 0.015 0.000 0.846 393 R HN 0.547 nan 8.270 nan 0.000 0.431 394 N N -0.050 118.658 118.700 0.015 0.000 2.122 394 N HA -0.199 4.541 4.740 -0.000 0.000 0.199 394 N C 1.072 176.597 175.510 0.024 0.000 1.007 394 N CA 1.825 54.884 53.050 0.015 0.000 0.892 394 N CB -0.231 38.262 38.487 0.011 0.000 1.050 394 N HN 0.486 nan 8.380 nan 0.000 0.468 395 G N -1.242 107.576 108.800 0.031 0.000 2.498 395 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.651 395 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.651 395 G C -2.672 172.272 174.900 0.073 0.000 1.284 395 G CA -0.076 45.045 45.100 0.034 0.000 0.950 395 G HN 0.147 nan 8.290 nan 0.000 0.511 396 P HA 0.271 nan 4.420 nan 0.000 0.276 396 P C 0.252 177.638 177.300 0.144 0.000 1.585 396 P CA -0.005 63.188 63.100 0.155 0.000 1.162 396 P CB 0.337 32.020 31.700 -0.029 0.000 1.556 397 N N -0.315 118.430 118.700 0.075 0.000 2.594 397 N HA 0.062 4.802 4.740 -0.000 0.000 0.237 397 N C 0.586 176.086 175.510 -0.015 0.000 1.057 397 N CA 0.243 53.305 53.050 0.020 0.000 0.883 397 N CB -0.036 38.460 38.487 0.016 0.000 1.538 397 N HN 0.123 nan 8.380 nan 0.000 0.451 398 E N 0.219 120.415 120.200 -0.006 0.000 2.425 398 E HA -0.065 4.285 4.350 -0.000 0.000 0.258 398 E C 0.376 176.939 176.600 -0.061 0.000 1.151 398 E CA 0.074 56.463 56.400 -0.019 0.000 0.958 398 E CB 0.819 30.513 29.700 -0.009 0.000 0.968 398 E HN 0.314 nan 8.360 nan 0.000 0.451 399 H N 2.414 121.404 119.070 -0.132 0.000 2.368 399 H HA 0.014 4.570 4.556 -0.000 0.000 0.303 399 H C -1.646 173.585 175.328 -0.162 0.000 1.043 399 H CA 0.644 56.565 56.048 -0.212 0.000 1.238 399 H CB -1.128 28.544 29.762 -0.149 0.000 1.417 399 H HN 0.283 nan 8.280 nan 0.000 0.548 400 P HA 0.145 nan 4.420 nan 0.000 0.250 400 P C -0.485 176.701 177.300 -0.190 0.000 1.198 400 P CA 1.246 64.010 63.100 -0.559 0.000 1.118 400 P CB 0.041 31.593 31.700 -0.246 0.000 1.208 401 G N 1.361 110.166 108.800 0.007 0.000 2.650 401 G HA2 0.759 4.719 3.960 -0.000 0.000 0.310 401 G HA3 0.759 4.719 3.960 -0.000 0.000 0.310 401 G C -1.918 173.119 174.900 0.228 0.000 1.270 401 G CA -0.080 45.127 45.100 0.178 0.000 0.810 401 G HN 0.474 nan 8.290 nan 0.000 0.493 402 A N -1.128 121.684 122.820 -0.014 0.000 2.583 402 A HA 0.822 5.142 4.320 -0.000 0.000 0.289 402 A C -0.256 177.139 177.584 -0.314 0.000 1.151 402 A CA 0.143 51.998 52.037 -0.303 0.000 0.695 402 A CB 1.529 20.456 19.000 -0.121 0.000 1.290 402 A HN 1.298 nan 8.150 nan 0.000 0.419 403 K N -0.891 119.290 120.400 -0.366 0.000 2.520 403 K HA 0.475 4.795 4.320 -0.000 0.000 0.206 403 K C -1.175 175.185 176.600 -0.400 0.000 1.122 403 K CA -0.022 56.031 56.287 -0.389 0.000 1.045 403 K CB 0.557 32.741 32.500 -0.527 0.000 0.932 403 K HN 0.527 nan 8.250 nan 0.000 0.571 404 Y N 0.357 120.586 120.300 -0.118 0.000 2.376 404 Y HA 0.294 4.844 4.550 -0.000 0.000 0.321 404 Y C -1.379 174.470 175.900 -0.085 0.000 1.189 404 Y CA -1.365 56.673 58.100 -0.103 0.000 1.069 404 Y CB 2.443 40.846 38.460 -0.096 0.000 1.292 404 Y HN -0.274 nan 8.280 nan 0.000 0.430 405 V N 5.939 125.908 119.914 0.091 0.000 2.448 405 V HA 0.521 4.641 4.120 -0.000 0.000 0.295 405 V C -0.329 175.677 176.094 -0.146 0.000 1.025 405 V CA -0.626 61.672 62.300 -0.003 0.000 0.859 405 V CB 1.729 33.570 31.823 0.030 0.000 0.988 405 V HN 0.513 nan 8.190 nan 0.000 0.431 406 I N 2.865 123.314 120.570 -0.202 0.000 2.466 406 I HA 0.738 4.908 4.170 -0.000 0.000 0.289 406 I C -0.371 175.427 176.117 -0.531 0.000 1.026 406 I CA -0.948 60.153 61.300 -0.332 0.000 1.078 406 I CB 1.857 39.715 38.000 -0.238 0.000 1.249 406 I HN 0.466 nan 8.210 nan 0.000 0.429 407 R N 2.475 122.471 120.500 -0.841 0.000 2.573 407 R HA 0.330 4.670 4.340 -0.000 0.000 0.272 407 R C 0.659 176.646 176.300 -0.522 0.000 1.009 407 R CA -0.534 54.785 56.100 -1.301 0.000 1.059 407 R CB 0.534 29.817 30.300 -1.696 0.000 1.112 407 R HN 0.752 nan 8.270 nan 0.000 0.517 408 D N 0.426 120.677 120.400 -0.248 0.000 2.191 408 D HA -0.295 4.345 4.640 -0.000 0.000 0.190 408 D C 0.750 177.001 176.300 -0.082 0.000 1.007 408 D CA 2.006 55.986 54.000 -0.034 0.000 0.865 408 D CB -0.621 40.251 40.800 0.120 0.000 0.929 408 D HN 0.499 nan 8.370 nan 0.000 0.447 409 S N -0.407 115.233 115.700 -0.102 0.000 3.077 409 S HA 0.204 4.674 4.470 -0.000 0.000 0.244 409 S C 1.492 176.024 174.600 -0.113 0.000 1.013 409 S CA 0.026 58.174 58.200 -0.086 0.000 1.121 409 S CB -1.471 61.685 63.200 -0.073 0.000 0.847 409 S HN 0.683 nan 8.310 nan 0.000 0.514 410 G N 0.861 109.588 108.800 -0.121 0.000 2.293 410 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.271 410 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.271 410 G C -0.390 174.430 174.900 -0.133 0.000 0.857 410 G CA 0.590 45.620 45.100 -0.117 0.000 1.221 410 G HN 0.744 nan 8.290 nan 0.000 0.445 411 D N -0.875 119.414 120.400 -0.185 0.000 2.964 411 D HA 0.453 5.093 4.640 -0.000 0.000 0.234 411 D C 0.280 176.436 176.300 -0.239 0.000 1.223 411 D CA -0.814 53.075 54.000 -0.185 0.000 0.889 411 D CB 0.944 41.647 40.800 -0.162 0.000 1.609 411 D HN 0.441 nan 8.370 nan 0.000 0.523 412 R N 3.423 123.781 120.500 -0.236 0.000 2.221 412 R HA 0.541 4.881 4.340 -0.000 0.000 0.327 412 R C -0.066 176.094 176.300 -0.233 0.000 1.033 412 R CA -0.620 55.298 56.100 -0.303 0.000 0.887 412 R CB 1.012 31.042 30.300 -0.451 0.000 1.057 412 R HN 0.369 nan 8.270 nan 0.000 0.455 413 I N 2.611 123.071 120.570 -0.184 0.000 2.312 413 I HA 0.026 4.196 4.170 -0.000 0.000 0.291 413 I C 0.182 176.321 176.117 0.038 0.000 1.031 413 I CA -0.409 60.845 61.300 -0.076 0.000 1.293 413 I CB 1.005 38.970 38.000 -0.058 0.000 1.403 413 I HN 0.549 nan 8.210 nan 0.000 0.484 414 D N 7.547 127.985 120.400 0.064 0.000 2.402 414 D HA 0.091 4.731 4.640 -0.000 0.000 0.235 414 D C 1.134 177.450 176.300 0.026 0.000 1.226 414 D CA -0.032 54.076 54.000 0.179 0.000 0.918 414 D CB 0.957 41.769 40.800 0.020 0.000 1.043 414 D HN 0.525 nan 8.370 nan 0.000 0.506 415 L N 3.616 124.858 121.223 0.032 0.000 2.351 415 L HA -0.207 4.133 4.340 -0.000 0.000 0.220 415 L C 2.367 179.202 176.870 -0.059 0.000 1.127 415 L CA 1.024 55.847 54.840 -0.029 0.000 0.786 415 L CB -0.166 41.863 42.059 -0.050 0.000 0.914 415 L HN 0.433 nan 8.230 nan 0.000 0.443 416 R N -1.894 118.507 120.500 -0.165 0.000 2.254 416 R HA -0.025 4.315 4.340 -0.000 0.000 0.195 416 R C 1.323 177.761 176.300 0.229 0.000 0.957 416 R CA 0.541 56.603 56.100 -0.063 0.000 1.024 416 R CB -0.125 30.082 30.300 -0.155 0.000 0.952 416 R HN 0.368 nan 8.270 nan 0.000 0.484 417 Y N 1.088 121.401 120.300 0.022 0.000 2.569 417 Y HA 0.135 4.685 4.550 -0.000 0.000 0.278 417 Y C 1.026 176.939 175.900 0.022 0.000 1.130 417 Y CA -0.432 57.681 58.100 0.021 0.000 1.280 417 Y CB 0.052 38.527 38.460 0.026 0.000 1.379 417 Y HN -0.006 nan 8.280 nan 0.000 0.508 418 S N 3.025 118.837 115.700 0.188 0.000 4.273 418 S HA -0.224 4.246 4.470 -0.000 0.000 0.512 418 S C 1.030 175.682 174.600 0.087 0.000 1.063 418 S CA 0.565 58.830 58.200 0.108 0.000 0.904 418 S CB 0.073 63.315 63.200 0.069 0.000 0.778 418 S HN 0.589 nan 8.310 nan 0.000 0.467 419 K N 4.307 124.749 120.400 0.070 0.000 2.442 419 K HA -0.101 4.219 4.320 -0.000 0.000 0.199 419 K C 1.268 177.896 176.600 0.048 0.000 1.044 419 K CA 1.499 57.817 56.287 0.053 0.000 0.941 419 K CB -0.131 32.392 32.500 0.040 0.000 0.759 419 K HN 0.742 nan 8.250 nan 0.000 0.472 420 R N -0.100 120.431 120.500 0.051 0.000 2.546 420 R HA 0.287 4.627 4.340 -0.000 0.000 0.320 420 R C 1.662 177.993 176.300 0.051 0.000 1.021 420 R CA 0.297 56.427 56.100 0.049 0.000 1.088 420 R CB 0.484 30.816 30.300 0.053 0.000 1.278 420 R HN 0.200 nan 8.270 nan 0.000 0.557 421 A N 1.524 124.376 122.820 0.053 0.000 1.881 421 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 421 A C 2.291 179.901 177.584 0.043 0.000 1.215 421 A CA 2.286 54.353 52.037 0.049 0.000 0.648 421 A CB -1.286 17.744 19.000 0.051 0.000 0.832 421 A HN 0.465 nan 8.150 nan 0.000 0.455 422 G N -0.844 107.980 108.800 0.039 0.000 2.422 422 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 422 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 422 G C 1.113 176.033 174.900 0.034 0.000 1.146 422 G CA 1.191 46.311 45.100 0.033 0.000 0.769 422 G HN 0.570 nan 8.290 nan 0.000 0.547 423 D N 0.111 120.535 120.400 0.040 0.000 1.802 423 D HA 0.059 4.699 4.640 -0.000 0.000 0.271 423 D C 1.094 177.427 176.300 0.054 0.000 1.069 423 D CA 0.093 54.119 54.000 0.043 0.000 0.950 423 D CB -0.159 40.669 40.800 0.047 0.000 1.260 423 D HN 0.212 nan 8.370 nan 0.000 0.448 424 I N -0.358 120.255 120.570 0.072 0.000 8.714 424 I HA -0.261 3.909 4.170 -0.000 0.000 0.126 424 I C -0.616 175.547 176.117 0.076 0.000 1.854 424 I CA 0.027 61.391 61.300 0.106 0.000 2.050 424 I CB -0.598 37.478 38.000 0.127 0.000 3.870 424 I HN 0.321 nan 8.210 nan 0.000 0.173 425 Q N 6.753 126.588 119.800 0.060 0.000 2.333 425 Q HA 0.724 5.064 4.340 -0.000 0.000 0.267 425 Q C -0.475 175.476 176.000 -0.081 0.000 1.012 425 Q CA -0.992 54.801 55.803 -0.017 0.000 0.824 425 Q CB 2.477 31.187 28.738 -0.048 0.000 1.290 425 Q HN 0.569 nan 8.270 nan 0.000 0.449 426 L N 1.343 122.499 121.223 -0.111 0.000 2.476 426 L HA 0.203 4.543 4.340 -0.000 0.000 0.255 426 L C 0.508 177.033 176.870 -0.576 0.000 1.218 426 L CA -0.277 54.434 54.840 -0.215 0.000 0.819 426 L CB 0.316 42.319 42.059 -0.092 0.000 1.119 426 L HN 0.423 nan 8.230 nan 0.000 0.485 427 Q N 0.867 120.077 119.800 -0.984 0.000 2.309 427 Q HA 0.292 4.632 4.340 -0.000 0.000 0.270 427 Q C -1.430 174.277 176.000 -0.488 0.000 1.023 427 Q CA -0.804 54.403 55.803 -0.993 0.000 0.758 427 Q CB 1.828 29.378 28.738 -1.980 0.000 1.247 427 Q HN 0.309 nan 8.270 nan 0.000 0.455 428 Y N 0.812 120.907 120.300 -0.343 0.000 2.916 428 Y HA 0.027 4.577 4.550 -0.000 0.000 0.344 428 Y C 1.645 177.464 175.900 -0.135 0.000 1.282 428 Y CA 2.248 60.231 58.100 -0.195 0.000 1.604 428 Y CB -0.023 38.338 38.460 -0.166 0.000 1.207 428 Y HN 0.997 nan 8.280 nan 0.000 0.561 429 G N 0.635 109.489 108.800 0.090 0.000 2.231 429 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.206 429 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.206 429 G C -0.191 174.881 174.900 0.287 0.000 0.996 429 G CA -0.608 44.579 45.100 0.145 0.000 0.645 429 G HN 0.467 nan 8.290 nan 0.000 0.498 430 W N 1.215 122.501 121.300 -0.023 0.000 2.253 430 W HA 0.782 5.442 4.660 -0.000 0.000 0.348 430 W C 0.621 177.107 176.519 -0.054 0.000 1.229 430 W CA -0.900 56.423 57.345 -0.037 0.000 1.335 430 W CB 0.596 30.036 29.460 -0.033 0.000 1.165 430 W HN -0.008 nan 8.180 nan 0.000 0.631 431 K N 0.556 121.032 120.400 0.126 0.000 2.207 431 K HA 0.579 4.899 4.320 -0.000 0.000 0.255 431 K C -1.261 175.354 176.600 0.025 0.000 0.941 431 K CA -0.730 55.574 56.287 0.028 0.000 0.825 431 K CB 1.917 34.390 32.500 -0.045 0.000 1.119 431 K HN 0.108 nan 8.250 nan 0.000 0.430 432 V N 3.372 123.293 119.914 0.013 0.000 2.320 432 V HA 0.129 4.249 4.120 -0.000 0.000 0.268 432 V C -0.506 175.590 176.094 0.003 0.000 1.021 432 V CA -0.858 61.456 62.300 0.024 0.000 0.813 432 V CB 0.903 32.748 31.823 0.037 0.000 1.054 432 V HN 0.752 nan 8.190 nan 0.000 0.444 433 E N 4.862 125.075 120.200 0.021 0.000 2.498 433 E HA 0.089 4.439 4.350 -0.000 0.000 0.252 433 E C 0.310 176.901 176.600 -0.016 0.000 1.025 433 E CA 0.165 56.583 56.400 0.030 0.000 0.938 433 E CB 0.707 30.488 29.700 0.135 0.000 0.947 433 E HN 0.736 nan 8.360 nan 0.000 0.478 434 R N 2.542 123.039 120.500 -0.004 0.000 2.944 434 R HA 0.444 4.784 4.340 -0.000 0.000 0.233 434 R C 0.089 176.352 176.300 -0.061 0.000 1.346 434 R CA -0.887 55.178 56.100 -0.059 0.000 1.082 434 R CB 0.700 31.021 30.300 0.034 0.000 1.434 434 R HN 0.391 nan 8.270 nan 0.000 0.510 435 H N 0.118 119.220 119.070 0.053 0.000 2.607 435 H HA 0.177 4.733 4.556 -0.000 0.000 0.367 435 H C 0.260 175.662 175.328 0.123 0.000 1.181 435 H CA -0.372 55.722 56.048 0.076 0.000 1.402 435 H CB 0.794 30.567 29.762 0.017 0.000 1.474 435 H HN 0.281 nan 8.280 nan 0.000 0.596 436 I N 3.306 124.055 120.570 0.298 0.000 2.587 436 I HA -0.047 4.123 4.170 -0.000 0.000 0.284 436 I C 0.922 177.165 176.117 0.209 0.000 1.134 436 I CA 0.657 62.087 61.300 0.217 0.000 1.410 436 I CB -0.749 37.366 38.000 0.192 0.000 1.392 436 I HN 0.319 nan 8.210 nan 0.000 0.545 437 M N 3.853 123.534 119.600 0.135 0.000 2.644 437 M HA 0.307 4.787 4.480 -0.000 0.000 0.316 437 M C -0.137 176.213 176.300 0.084 0.000 1.200 437 M CA -1.075 54.302 55.300 0.128 0.000 0.944 437 M CB 1.237 33.884 32.600 0.079 0.000 1.691 437 M HN 0.331 nan 8.290 nan 0.000 0.471 438 D N 2.553 123.007 120.400 0.091 0.000 2.554 438 D HA -0.024 4.616 4.640 -0.000 0.000 0.251 438 D C -0.233 176.077 176.300 0.017 0.000 1.213 438 D CA 1.344 55.370 54.000 0.044 0.000 0.900 438 D CB -0.191 40.632 40.800 0.038 0.000 1.135 438 D HN 0.601 nan 8.370 nan 0.000 0.522 439 N N 1.657 120.358 118.700 0.002 0.000 3.087 439 N HA -0.136 4.604 4.740 -0.000 0.000 0.246 439 N C -1.555 173.934 175.510 -0.035 0.000 1.135 439 N CA 0.248 53.289 53.050 -0.015 0.000 0.733 439 N CB -0.549 37.930 38.487 -0.013 0.000 1.096 439 N HN 0.348 nan 8.380 nan 0.000 0.552 440 D N 0.923 121.300 120.400 -0.039 0.000 2.280 440 D HA 0.269 4.909 4.640 -0.000 0.000 0.236 440 D C -2.171 174.089 176.300 -0.066 0.000 1.082 440 D CA -1.179 52.766 54.000 -0.092 0.000 0.834 440 D CB 1.203 41.941 40.800 -0.103 0.000 1.100 440 D HN 0.088 nan 8.370 nan 0.000 0.486 441 P HA 0.001 nan 4.420 nan 0.000 0.265 441 P C -0.424 176.869 177.300 -0.012 0.000 1.193 441 P CA -0.170 62.907 63.100 -0.039 0.000 0.765 441 P CB 0.897 32.568 31.700 -0.048 0.000 0.823 442 V N 0.992 120.925 119.914 0.031 0.000 3.159 442 V HA 0.472 4.592 4.120 -0.000 0.000 0.308 442 V C -0.547 175.621 176.094 0.124 0.000 1.190 442 V CA -1.220 61.124 62.300 0.073 0.000 1.037 442 V CB 2.542 34.406 31.823 0.069 0.000 1.060 442 V HN 0.407 nan 8.190 nan 0.000 0.437 443 L N 2.602 123.924 121.223 0.165 0.000 2.265 443 L HA 0.581 4.921 4.340 -0.000 0.000 0.289 443 L C -1.371 175.662 176.870 0.271 0.000 1.033 443 L CA -0.213 54.755 54.840 0.214 0.000 0.814 443 L CB 1.155 43.339 42.059 0.207 0.000 1.203 443 L HN 0.823 nan 8.230 nan 0.000 0.423 444 F N 6.520 126.543 119.950 0.123 0.000 2.458 444 F HA 0.540 5.067 4.527 -0.000 0.000 0.330 444 F C -0.050 175.811 175.800 0.102 0.000 1.082 444 F CA -0.726 57.258 58.000 -0.026 0.000 0.995 444 F CB 1.414 40.376 39.000 -0.063 0.000 1.170 444 F HN 0.614 nan 8.300 nan 0.000 0.478 445 N N 3.697 122.106 118.700 -0.485 0.000 3.043 445 N HA 0.272 5.011 4.740 -0.000 0.000 0.243 445 N C -2.211 173.087 175.510 -0.353 0.000 1.347 445 N CA -0.739 52.211 53.050 -0.167 0.000 0.896 445 N CB 2.052 40.565 38.487 0.042 0.000 1.501 445 N HN 0.833 nan 8.380 nan 0.000 0.504 446 R N 2.262 122.725 120.500 -0.062 0.000 2.473 446 R HA 0.263 4.603 4.340 -0.000 0.000 0.303 446 R C -0.900 175.402 176.300 0.004 0.000 1.002 446 R CA -0.326 55.727 56.100 -0.079 0.000 0.884 446 R CB 1.216 31.488 30.300 -0.047 0.000 1.173 446 R HN 0.607 nan 8.270 nan 0.000 0.464 447 Q N 3.971 123.762 119.800 -0.015 0.000 2.354 447 Q HA 0.269 4.609 4.340 -0.000 0.000 0.244 447 Q C -1.907 174.094 176.000 0.001 0.000 0.969 447 Q CA -1.644 54.160 55.803 0.002 0.000 0.885 447 Q CB 0.599 29.339 28.738 0.003 0.000 1.241 447 Q HN 0.469 nan 8.270 nan 0.000 0.461 448 P HA 0.041 nan 4.420 nan 0.000 0.276 448 P C -1.076 176.222 177.300 -0.004 0.000 1.235 448 P CA -0.187 62.911 63.100 -0.004 0.000 0.772 448 P CB 0.877 32.570 31.700 -0.012 0.000 0.871 449 S N 3.442 119.141 115.700 -0.002 0.000 2.411 449 S HA 0.243 4.713 4.470 -0.000 0.000 0.304 449 S C 0.515 175.099 174.600 -0.026 0.000 1.098 449 S CA -0.454 57.746 58.200 0.001 0.000 1.068 449 S CB -0.263 62.944 63.200 0.012 0.000 1.032 449 S HN 0.341 nan 8.310 nan 0.000 0.511 450 L N 1.434 122.628 121.223 -0.049 0.000 3.347 450 L HA 0.566 4.906 4.340 -0.000 0.000 0.306 450 L C -0.200 176.584 176.870 -0.145 0.000 1.301 450 L CA -0.220 54.554 54.840 -0.110 0.000 0.985 450 L CB -1.144 40.822 42.059 -0.156 0.000 1.400 450 L HN 0.595 nan 8.230 nan 0.000 0.601 451 H N -1.178 117.836 119.070 -0.093 0.000 3.037 451 H HA 0.398 4.954 4.556 -0.000 0.000 0.355 451 H C 0.206 175.466 175.328 -0.113 0.000 1.263 451 H CA -0.772 55.208 56.048 -0.113 0.000 1.129 451 H CB 2.516 32.201 29.762 -0.128 0.000 1.861 451 H HN -0.068 nan 8.280 nan 0.000 0.546 452 K N 1.182 121.599 120.400 0.028 0.000 2.057 452 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 452 K C 1.451 177.987 176.600 -0.106 0.000 1.050 452 K CA 1.623 57.877 56.287 -0.056 0.000 0.935 452 K CB 0.015 32.462 32.500 -0.087 0.000 0.715 452 K HN 0.462 nan 8.250 nan 0.000 0.439 453 M N 0.536 120.012 119.600 -0.207 0.000 2.446 453 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 453 M C 1.816 177.892 176.300 -0.374 0.000 1.066 453 M CA 1.115 56.211 55.300 -0.340 0.000 1.087 453 M CB -0.092 32.200 32.600 -0.514 0.000 1.406 453 M HN -0.121 nan 8.290 nan 0.000 0.459 454 S N -0.032 115.575 115.700 -0.155 0.000 2.537 454 S HA 0.077 4.547 4.470 -0.000 0.000 0.240 454 S C 0.583 175.177 174.600 -0.011 0.000 0.981 454 S CA 0.820 58.968 58.200 -0.087 0.000 0.948 454 S CB -0.258 62.959 63.200 0.028 0.000 0.759 454 S HN 0.431 nan 8.310 nan 0.000 0.531 455 M N 1.010 120.587 119.600 -0.039 0.000 2.149 455 M HA 0.424 4.904 4.480 -0.000 0.000 0.273 455 M C -1.163 175.172 176.300 0.057 0.000 0.972 455 M CA 0.185 55.543 55.300 0.096 0.000 0.984 455 M CB 1.875 34.522 32.600 0.077 0.000 1.699 455 M HN 0.044 nan 8.290 nan 0.000 0.462 456 M N 1.559 121.272 119.600 0.189 0.000 2.690 456 M HA 0.814 5.294 4.480 -0.000 0.000 0.302 456 M C -0.380 175.957 176.300 0.061 0.000 1.234 456 M CA -0.847 54.483 55.300 0.050 0.000 0.853 456 M CB 2.586 35.149 32.600 -0.062 0.000 1.748 456 M HN 0.713 nan 8.290 nan 0.000 0.469 457 A N 1.085 123.845 122.820 -0.099 0.000 2.290 457 A HA 0.647 4.967 4.320 -0.000 0.000 0.310 457 A C -0.945 176.484 177.584 -0.258 0.000 1.202 457 A CA -0.424 51.571 52.037 -0.070 0.000 0.837 457 A CB 0.271 19.239 19.000 -0.053 0.000 1.139 457 A HN 0.853 nan 8.150 nan 0.000 0.509 458 H N 1.004 120.075 119.070 0.001 0.000 2.824 458 H HA 0.454 5.010 4.556 -0.000 0.000 0.345 458 H C -0.522 174.766 175.328 -0.067 0.000 1.252 458 H CA -0.728 55.289 56.048 -0.051 0.000 1.246 458 H CB 1.454 31.133 29.762 -0.138 0.000 1.908 458 H HN 0.674 nan 8.280 nan 0.000 0.601 459 R N 0.712 121.255 120.500 0.073 0.000 2.265 459 R HA 0.320 4.660 4.340 -0.000 0.000 0.319 459 R C -0.518 175.775 176.300 -0.013 0.000 1.006 459 R CA -0.675 55.431 56.100 0.010 0.000 0.880 459 R CB 1.610 31.909 30.300 -0.002 0.000 1.077 459 R HN 0.161 nan 8.270 nan 0.000 0.454 460 V N 3.864 123.768 119.914 -0.018 0.000 2.637 460 V HA 0.076 4.196 4.120 -0.000 0.000 0.296 460 V C 0.161 176.241 176.094 -0.024 0.000 1.046 460 V CA 0.439 62.723 62.300 -0.027 0.000 1.066 460 V CB 1.069 32.893 31.823 0.001 0.000 0.968 460 V HN 0.509 nan 8.190 nan 0.000 0.483 461 K N 4.751 125.127 120.400 -0.041 0.000 2.656 461 K HA 0.327 4.647 4.320 -0.000 0.000 0.241 461 K C -1.039 175.531 176.600 -0.049 0.000 0.967 461 K CA -0.511 55.754 56.287 -0.038 0.000 0.946 461 K CB 1.609 34.079 32.500 -0.050 0.000 1.164 461 K HN 0.473 nan 8.250 nan 0.000 0.459 462 V N 4.874 124.758 119.914 -0.049 0.000 2.529 462 V HA 0.337 4.457 4.120 -0.000 0.000 0.292 462 V C 0.836 176.862 176.094 -0.115 0.000 1.028 462 V CA -0.407 61.824 62.300 -0.115 0.000 1.074 462 V CB -0.571 31.117 31.823 -0.224 0.000 0.958 462 V HN 0.584 nan 8.190 nan 0.000 0.481 463 I N 2.360 122.863 120.570 -0.112 0.000 3.074 463 I HA 0.795 4.964 4.170 -0.000 0.000 0.310 463 I C -2.567 173.505 176.117 -0.075 0.000 1.153 463 I CA -2.628 58.629 61.300 -0.072 0.000 0.993 463 I CB 2.524 40.501 38.000 -0.038 0.000 1.237 463 I HN 0.389 nan 8.210 nan 0.000 0.443 464 P HA 0.229 nan 4.420 nan 0.000 0.293 464 P C -1.142 176.193 177.300 0.058 0.000 1.298 464 P CA 0.225 63.285 63.100 -0.066 0.000 0.757 464 P CB 0.251 31.904 31.700 -0.078 0.000 1.262 465 Y N -2.963 117.277 120.300 -0.099 0.000 2.508 465 Y HA -0.212 4.337 4.550 -0.000 0.000 0.043 465 Y C 1.244 177.068 175.900 -0.128 0.000 1.703 465 Y CA 0.842 58.883 58.100 -0.100 0.000 1.418 465 Y CB -2.099 36.307 38.460 -0.089 0.000 2.063 465 Y HN 0.238 nan 8.280 nan 0.000 0.254 466 S N 0.171 115.890 115.700 0.032 0.000 2.871 466 S HA 0.283 4.753 4.470 -0.000 0.000 0.254 466 S C 0.074 174.586 174.600 -0.146 0.000 1.088 466 S CA 0.230 58.380 58.200 -0.083 0.000 1.166 466 S CB -0.722 62.431 63.200 -0.078 0.000 0.826 466 S HN 0.678 nan 8.310 nan 0.000 0.471 467 T N -1.374 113.095 114.554 -0.142 0.000 2.900 467 T HA 0.627 4.977 4.350 -0.000 0.000 0.295 467 T C -0.458 174.141 174.700 -0.170 0.000 1.044 467 T CA -0.830 61.163 62.100 -0.177 0.000 0.995 467 T CB 0.646 69.450 68.868 -0.108 0.000 1.072 467 T HN 0.133 nan 8.240 nan 0.000 0.473 468 F N 1.882 121.809 119.950 -0.038 0.000 2.506 468 F HA 0.332 4.859 4.527 -0.000 0.000 0.371 468 F C 1.488 177.214 175.800 -0.123 0.000 1.078 468 F CA -0.601 57.361 58.000 -0.063 0.000 1.195 468 F CB 0.644 39.716 39.000 0.121 0.000 1.099 468 F HN 0.249 nan 8.300 nan 0.000 0.548 469 R N 5.972 126.467 120.500 -0.009 0.000 2.272 469 R HA 0.407 4.747 4.340 -0.000 0.000 0.323 469 R C -0.892 175.314 176.300 -0.157 0.000 1.002 469 R CA -0.769 55.264 56.100 -0.111 0.000 0.900 469 R CB 0.952 31.182 30.300 -0.118 0.000 1.151 469 R HN 0.597 nan 8.270 nan 0.000 0.507 470 L N -0.354 120.789 121.223 -0.134 0.000 2.344 470 L HA 0.555 4.895 4.340 -0.000 0.000 0.272 470 L C 0.237 177.097 176.870 -0.016 0.000 1.035 470 L CA -1.078 53.681 54.840 -0.134 0.000 0.807 470 L CB 0.919 42.954 42.059 -0.040 0.000 1.237 470 L HN 0.302 nan 8.230 nan 0.000 0.442 471 N N 1.318 120.027 118.700 0.014 0.000 2.453 471 N HA 0.102 4.842 4.740 -0.000 0.000 0.253 471 N C 0.626 176.226 175.510 0.150 0.000 1.252 471 N CA 0.051 53.146 53.050 0.074 0.000 0.917 471 N CB 1.194 39.722 38.487 0.068 0.000 1.117 471 N HN 0.925 nan 8.380 nan 0.000 0.442 472 L N 1.700 123.025 121.223 0.169 0.000 2.027 472 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 472 L C 2.225 179.198 176.870 0.172 0.000 1.074 472 L CA 1.052 56.018 54.840 0.210 0.000 0.745 472 L CB -0.346 41.829 42.059 0.193 0.000 0.898 472 L HN 0.562 nan 8.230 nan 0.000 0.433 473 S N -1.154 114.639 115.700 0.155 0.000 2.469 473 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 473 S C 1.495 176.135 174.600 0.067 0.000 0.998 473 S CA 0.830 59.114 58.200 0.141 0.000 0.957 473 S CB -0.023 63.318 63.200 0.234 0.000 0.764 473 S HN 0.285 nan 8.310 nan 0.000 0.514 474 V N 1.347 121.319 119.914 0.096 0.000 3.577 474 V HA 0.053 4.173 4.120 -0.000 0.000 0.294 474 V C 1.846 178.122 176.094 0.303 0.000 1.317 474 V CA 0.855 63.254 62.300 0.166 0.000 1.169 474 V CB -0.507 31.488 31.823 0.286 0.000 1.011 474 V HN 0.464 nan 8.190 nan 0.000 0.426 475 T N 0.406 115.088 114.554 0.214 0.000 2.668 475 T HA -0.156 4.193 4.350 -0.000 0.000 0.258 475 T C 2.183 176.974 174.700 0.151 0.000 1.051 475 T CA 2.154 64.371 62.100 0.196 0.000 1.155 475 T CB -0.235 68.687 68.868 0.090 0.000 0.864 475 T HN 0.808 nan 8.240 nan 0.000 0.413 476 S N 1.548 117.295 115.700 0.079 0.000 2.440 476 S HA -0.044 4.426 4.470 -0.000 0.000 0.240 476 S C -0.797 173.817 174.600 0.024 0.000 1.014 476 S CA 1.010 59.237 58.200 0.044 0.000 0.980 476 S CB -1.536 61.683 63.200 0.030 0.000 0.775 476 S HN 0.462 nan 8.310 nan 0.000 0.499 477 P HA 0.076 nan 4.420 nan 0.000 0.219 477 P C 0.742 177.936 177.300 -0.177 0.000 1.154 477 P CA 0.796 63.794 63.100 -0.170 0.000 0.826 477 P CB -0.145 31.376 31.700 -0.299 0.000 0.795 478 Y N -1.570 118.739 120.300 0.015 0.000 2.457 478 Y HA 0.057 4.607 4.550 -0.000 0.000 0.292 478 Y C 0.846 176.751 175.900 0.008 0.000 1.125 478 Y CA 0.554 58.660 58.100 0.010 0.000 1.254 478 Y CB -0.489 37.966 38.460 -0.009 0.000 1.012 478 Y HN -0.039 nan 8.280 nan 0.000 0.555 479 N N 0.277 119.061 118.700 0.140 0.000 2.729 479 N HA -0.149 4.591 4.740 -0.000 0.000 0.259 479 N C -1.222 174.315 175.510 0.045 0.000 1.119 479 N CA 0.646 53.736 53.050 0.068 0.000 0.679 479 N CB -1.054 37.465 38.487 0.053 0.000 0.892 479 N HN 0.328 nan 8.380 nan 0.000 0.558 480 A N 1.454 124.288 122.820 0.022 0.000 2.414 480 A HA 0.684 5.003 4.320 -0.000 0.000 0.306 480 A C -0.477 176.973 177.584 -0.224 0.000 1.054 480 A CA -0.310 51.699 52.037 -0.047 0.000 0.724 480 A CB 1.288 20.294 19.000 0.010 0.000 1.267 480 A HN 0.533 nan 8.150 nan 0.000 0.418 481 D N -0.599 119.650 120.400 -0.252 0.000 2.592 481 D HA 0.619 5.259 4.640 -0.000 0.000 0.259 481 D C -0.381 175.673 176.300 -0.410 0.000 1.144 481 D CA -0.534 53.203 54.000 -0.437 0.000 1.080 481 D CB 0.535 41.215 40.800 -0.201 0.000 1.225 481 D HN 0.318 nan 8.370 nan 0.000 0.619 482 F N -0.991 118.972 119.950 0.022 0.000 2.698 482 F HA 0.150 4.677 4.527 -0.000 0.000 0.304 482 F C 0.633 176.440 175.800 0.012 0.000 1.108 482 F CA -0.787 57.224 58.000 0.019 0.000 1.263 482 F CB 0.398 39.409 39.000 0.019 0.000 1.013 482 F HN 0.210 nan 8.300 nan 0.000 0.532 483 D N 0.245 120.710 120.400 0.109 0.000 2.403 483 D HA 0.127 4.767 4.640 -0.000 0.000 0.260 483 D C 1.575 177.915 176.300 0.066 0.000 1.243 483 D CA 0.731 54.773 54.000 0.071 0.000 0.918 483 D CB -0.298 40.517 40.800 0.025 0.000 0.939 483 D HN 0.412 nan 8.370 nan 0.000 0.507 484 G N -0.356 108.502 108.800 0.097 0.000 2.175 484 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.182 484 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.182 484 G C -0.426 174.518 174.900 0.073 0.000 1.003 484 G CA -0.380 44.762 45.100 0.071 0.000 0.666 484 G HN 0.375 nan 8.290 nan 0.000 0.506 485 D N 1.377 121.834 120.400 0.094 0.000 2.455 485 D HA 0.439 5.079 4.640 -0.000 0.000 0.241 485 D C 0.752 177.107 176.300 0.092 0.000 1.138 485 D CA 0.643 54.689 54.000 0.078 0.000 0.877 485 D CB 0.736 41.579 40.800 0.073 0.000 1.187 485 D HN 0.517 nan 8.370 nan 0.000 0.451 486 E N 1.246 121.479 120.200 0.056 0.000 2.222 486 E HA 0.610 4.959 4.350 -0.000 0.000 0.267 486 E C -0.175 176.430 176.600 0.007 0.000 0.963 486 E CA -0.722 55.715 56.400 0.063 0.000 0.837 486 E CB 1.674 31.403 29.700 0.048 0.000 1.183 486 E HN 0.301 nan 8.360 nan 0.000 0.403 487 M N 1.253 120.862 119.600 0.015 0.000 2.569 487 M HA 0.344 4.824 4.480 -0.000 0.000 0.279 487 M C -1.367 174.787 176.300 -0.244 0.000 1.253 487 M CA -0.989 54.167 55.300 -0.241 0.000 0.867 487 M CB 2.262 34.490 32.600 -0.620 0.000 1.727 487 M HN 0.346 nan 8.290 nan 0.000 0.467 488 N N 1.646 120.098 118.700 -0.412 0.000 2.405 488 N HA 0.730 5.470 4.740 -0.000 0.000 0.299 488 N C -1.630 173.586 175.510 -0.490 0.000 1.075 488 N CA -0.479 52.360 53.050 -0.353 0.000 0.884 488 N CB 1.782 40.109 38.487 -0.266 0.000 1.194 488 N HN 0.448 nan 8.380 nan 0.000 0.491 489 L N 2.558 123.541 121.223 -0.400 0.000 2.376 489 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 489 L C -1.282 175.423 176.870 -0.274 0.000 0.987 489 L CA -0.476 54.217 54.840 -0.246 0.000 0.828 489 L CB 0.805 42.761 42.059 -0.171 0.000 1.249 489 L HN 0.535 nan 8.230 nan 0.000 0.409 490 H N 4.199 123.333 119.070 0.107 0.000 2.469 490 H HA 0.561 5.117 4.556 -0.000 0.000 0.342 490 H C -0.918 174.489 175.328 0.132 0.000 1.115 490 H CA -0.633 55.489 56.048 0.124 0.000 1.204 490 H CB 2.321 32.141 29.762 0.095 0.000 1.492 490 H HN 0.358 nan 8.280 nan 0.000 0.499 491 V N 6.351 126.441 119.914 0.294 0.000 2.347 491 V HA 0.155 4.275 4.120 -0.000 0.000 0.280 491 V C -1.670 174.516 176.094 0.154 0.000 1.021 491 V CA -1.528 60.907 62.300 0.225 0.000 0.847 491 V CB 1.358 33.358 31.823 0.294 0.000 0.990 491 V HN 0.662 nan 8.190 nan 0.000 0.444 492 P HA -0.019 nan 4.420 nan 0.000 0.272 492 P C -0.426 176.929 177.300 0.091 0.000 1.239 492 P CA 0.309 63.445 63.100 0.061 0.000 0.807 492 P CB 1.323 33.041 31.700 0.031 0.000 0.951 493 Q N -1.450 118.398 119.800 0.080 0.000 2.237 493 Q HA 0.167 4.506 4.340 -0.000 0.000 0.254 493 Q C 0.328 176.380 176.000 0.086 0.000 0.771 493 Q CA 0.236 56.060 55.803 0.034 0.000 0.958 493 Q CB 0.352 28.945 28.738 -0.241 0.000 1.202 493 Q HN 0.479 nan 8.270 nan 0.000 0.492 494 S N -0.375 115.384 115.700 0.098 0.000 2.503 494 S HA 0.308 4.778 4.470 -0.000 0.000 0.301 494 S C 0.644 175.330 174.600 0.143 0.000 1.087 494 S CA -0.357 57.890 58.200 0.078 0.000 1.042 494 S CB 1.401 64.609 63.200 0.013 0.000 1.043 494 S HN 0.190 nan 8.310 nan 0.000 0.489 495 E N 2.624 122.917 120.200 0.155 0.000 2.169 495 E HA -0.253 4.097 4.350 -0.000 0.000 0.202 495 E C 1.573 178.220 176.600 0.078 0.000 1.016 495 E CA 2.581 59.065 56.400 0.141 0.000 0.817 495 E CB -0.108 29.661 29.700 0.115 0.000 0.736 495 E HN 0.878 nan 8.360 nan 0.000 0.462 496 E N -1.977 118.257 120.200 0.057 0.000 2.371 496 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 496 E C 1.842 178.458 176.600 0.026 0.000 1.012 496 E CA 1.138 57.560 56.400 0.037 0.000 0.860 496 E CB -0.190 29.528 29.700 0.030 0.000 0.811 496 E HN 0.027 nan 8.360 nan 0.000 0.502 497 T N 1.246 115.818 114.554 0.031 0.000 2.732 497 T HA -0.085 4.265 4.350 -0.000 0.000 0.261 497 T C 1.732 176.440 174.700 0.013 0.000 1.040 497 T CA 1.453 63.564 62.100 0.018 0.000 1.145 497 T CB -0.117 68.764 68.868 0.023 0.000 0.866 497 T HN 0.231 nan 8.240 nan 0.000 0.427 498 R N 1.723 122.233 120.500 0.016 0.000 2.122 498 R HA -0.155 4.185 4.340 -0.000 0.000 0.236 498 R C 2.733 179.027 176.300 -0.010 0.000 1.129 498 R CA 1.596 57.687 56.100 -0.015 0.000 0.925 498 R CB -1.120 29.152 30.300 -0.047 0.000 0.850 498 R HN 0.369 nan 8.270 nan 0.000 0.431 499 A N 1.649 124.469 122.820 0.000 0.000 1.909 499 A HA -0.319 4.001 4.320 -0.000 0.000 0.221 499 A C 2.124 179.707 177.584 -0.002 0.000 1.223 499 A CA 2.204 54.242 52.037 0.003 0.000 0.658 499 A CB -0.768 18.242 19.000 0.016 0.000 0.831 499 A HN 0.533 nan 8.150 nan 0.000 0.462 500 E N -0.951 119.248 120.200 -0.002 0.000 2.160 500 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 500 E C 1.938 178.528 176.600 -0.017 0.000 0.991 500 E CA 1.088 57.483 56.400 -0.009 0.000 0.810 500 E CB -0.184 29.508 29.700 -0.013 0.000 0.742 500 E HN 0.698 nan 8.360 nan 0.000 0.466 501 L N 0.055 121.269 121.223 -0.014 0.000 2.034 501 L HA -0.137 4.203 4.340 -0.000 0.000 0.203 501 L C 2.649 179.502 176.870 -0.030 0.000 1.074 501 L CA 1.250 56.080 54.840 -0.017 0.000 0.748 501 L CB -0.385 41.671 42.059 -0.005 0.000 0.905 501 L HN 0.136 nan 8.230 nan 0.000 0.439 502 S N -1.063 114.620 115.700 -0.029 0.000 2.419 502 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 502 S C 1.744 176.324 174.600 -0.034 0.000 1.019 502 S CA 0.860 59.039 58.200 -0.035 0.000 0.982 502 S CB -0.241 62.941 63.200 -0.030 0.000 0.789 502 S HN 0.392 nan 8.310 nan 0.000 0.490 503 Q N -0.057 119.727 119.800 -0.027 0.000 2.356 503 Q HA 0.411 4.751 4.340 -0.000 0.000 0.205 503 Q C 0.954 176.932 176.000 -0.038 0.000 0.901 503 Q CA 0.377 56.165 55.803 -0.026 0.000 0.938 503 Q CB 0.228 28.959 28.738 -0.011 0.000 1.081 503 Q HN 0.556 nan 8.270 nan 0.000 0.517 504 L N -2.610 118.586 121.223 -0.044 0.000 3.066 504 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 504 L C 1.373 178.204 176.870 -0.064 0.000 1.101 504 L CA 0.405 55.212 54.840 -0.055 0.000 1.022 504 L CB 0.170 42.199 42.059 -0.050 0.000 1.600 504 L HN -0.032 nan 8.230 nan 0.000 0.559 505 C N 0.652 119.917 119.300 -0.059 0.000 2.926 505 C HA 0.597 5.057 4.460 -0.000 0.000 0.272 505 C C 1.484 176.416 174.990 -0.096 0.000 1.249 505 C CA -0.753 58.225 59.018 -0.067 0.000 1.691 505 C CB -0.762 26.954 27.740 -0.039 0.000 1.983 505 C HN 0.365 nan 8.230 nan 0.000 0.615 506 A N 1.168 123.930 122.820 -0.097 0.000 2.548 506 A HA 0.308 4.628 4.320 -0.000 0.000 0.247 506 A C 1.428 178.916 177.584 -0.159 0.000 1.067 506 A CA 0.299 52.259 52.037 -0.129 0.000 0.757 506 A CB 0.271 19.215 19.000 -0.093 0.000 0.996 506 A HN 0.274 nan 8.150 nan 0.000 0.504 507 V N 4.338 124.111 119.914 -0.234 0.000 2.317 507 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 507 V C -0.296 175.696 176.094 -0.170 0.000 1.065 507 V CA 2.776 64.941 62.300 -0.226 0.000 1.049 507 V CB -1.543 30.118 31.823 -0.270 0.000 0.651 507 V HN 0.819 nan 8.190 nan 0.000 0.450 508 P HA -0.152 nan 4.420 nan 0.000 0.218 508 P C 1.793 179.046 177.300 -0.079 0.000 1.146 508 P CA 1.403 64.445 63.100 -0.097 0.000 0.813 508 P CB -0.042 31.621 31.700 -0.062 0.000 0.778 509 L N -1.220 119.950 121.223 -0.089 0.000 2.095 509 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 509 L C 2.207 179.019 176.870 -0.095 0.000 1.080 509 L CA 1.071 55.863 54.840 -0.079 0.000 0.759 509 L CB -0.863 41.148 42.059 -0.080 0.000 0.914 509 L HN -0.104 nan 8.230 nan 0.000 0.439 510 Q N 0.116 119.842 119.800 -0.123 0.000 2.500 510 Q HA -0.065 4.275 4.340 -0.000 0.000 0.213 510 Q C 2.096 178.016 176.000 -0.134 0.000 0.974 510 Q CA 0.888 56.604 55.803 -0.144 0.000 0.918 510 Q CB -0.331 28.295 28.738 -0.186 0.000 0.980 510 Q HN 0.588 nan 8.270 nan 0.000 0.505 511 I N -0.495 120.012 120.570 -0.104 0.000 2.236 511 I HA -0.200 3.970 4.170 -0.000 0.000 0.249 511 I C 0.762 176.856 176.117 -0.038 0.000 1.102 511 I CA 0.861 62.125 61.300 -0.060 0.000 1.365 511 I CB -0.056 37.946 38.000 0.003 0.000 1.051 511 I HN -0.093 nan 8.210 nan 0.000 0.420 512 V N 1.145 121.029 119.914 -0.050 0.000 2.347 512 V HA 0.185 4.305 4.120 -0.000 0.000 0.280 512 V C 0.060 176.097 176.094 -0.094 0.000 1.021 512 V CA -0.281 61.984 62.300 -0.059 0.000 0.847 512 V CB 1.539 33.349 31.823 -0.022 0.000 0.990 512 V HN 0.229 nan 8.190 nan 0.000 0.444 513 S N 8.038 123.673 115.700 -0.107 0.000 2.462 513 S HA 0.482 4.952 4.470 -0.000 0.000 0.294 513 S C -1.134 173.429 174.600 -0.060 0.000 1.144 513 S CA -1.434 56.706 58.200 -0.101 0.000 1.088 513 S CB 1.753 64.874 63.200 -0.131 0.000 1.009 513 S HN 0.630 nan 8.310 nan 0.000 0.484 514 P HA -0.155 nan 4.420 nan 0.000 0.223 514 P C 1.054 178.463 177.300 0.181 0.000 1.151 514 P CA 0.929 64.075 63.100 0.077 0.000 0.787 514 P CB -0.035 31.735 31.700 0.117 0.000 0.788 515 Q N 1.118 120.974 119.800 0.093 0.000 2.437 515 Q HA -0.044 4.296 4.340 -0.000 0.000 0.210 515 Q C 0.986 176.989 176.000 0.004 0.000 0.972 515 Q CA 1.685 57.532 55.803 0.073 0.000 0.903 515 Q CB -0.506 28.208 28.738 -0.040 0.000 0.967 515 Q HN 0.249 nan 8.270 nan 0.000 0.486 516 S N -0.804 114.841 115.700 -0.092 0.000 3.041 516 S HA 0.098 4.568 4.470 -0.000 0.000 0.244 516 S C -0.354 174.088 174.600 -0.264 0.000 0.837 516 S CA -0.286 57.730 58.200 -0.308 0.000 1.206 516 S CB -0.996 62.049 63.200 -0.258 0.000 1.218 516 S HN 0.594 nan 8.310 nan 0.000 0.591 517 N N 2.129 120.750 118.700 -0.131 0.000 2.701 517 N HA -0.298 4.442 4.740 -0.000 0.000 0.257 517 N C -0.473 174.962 175.510 -0.125 0.000 0.969 517 N CA 1.820 54.830 53.050 -0.068 0.000 0.786 517 N CB -1.789 36.701 38.487 0.005 0.000 0.917 517 N HN 0.980 nan 8.380 nan 0.000 0.541 518 K N -2.364 117.909 120.400 -0.211 0.000 2.546 518 K HA 0.507 4.827 4.320 -0.000 0.000 0.264 518 K C -3.243 173.191 176.600 -0.277 0.000 0.937 518 K CA -1.958 54.101 56.287 -0.381 0.000 0.833 518 K CB 2.569 34.927 32.500 -0.236 0.000 1.378 518 K HN -0.112 nan 8.250 nan 0.000 0.432 519 P HA -0.093 nan 4.420 nan 0.000 0.270 519 P C 0.566 177.816 177.300 -0.083 0.000 1.221 519 P CA -0.161 62.873 63.100 -0.110 0.000 0.788 519 P CB 0.415 32.102 31.700 -0.021 0.000 0.904 520 C N -0.423 118.839 119.300 -0.063 0.000 3.385 520 C HA 0.555 5.015 4.460 -0.000 0.000 0.288 520 C C 0.350 175.315 174.990 -0.042 0.000 1.429 520 C CA -0.496 58.475 59.018 -0.077 0.000 1.778 520 C CB -1.188 26.459 27.740 -0.156 0.000 2.503 520 C HN 0.378 nan 8.230 nan 0.000 0.646 521 M N 0.821 120.436 119.600 0.026 0.000 2.572 521 M HA 0.679 5.159 4.480 -0.000 0.000 0.299 521 M C 0.348 176.801 176.300 0.256 0.000 1.205 521 M CA 0.264 55.612 55.300 0.080 0.000 0.876 521 M CB 2.301 34.874 32.600 -0.046 0.000 1.728 521 M HN 0.314 nan 8.290 nan 0.000 0.458 522 G N 1.564 110.543 108.800 0.299 0.000 3.433 522 G HA2 0.774 4.734 3.960 -0.000 0.000 0.173 522 G HA3 0.774 4.734 3.960 -0.000 0.000 0.173 522 G C -1.219 173.843 174.900 0.270 0.000 1.196 522 G CA -0.409 44.851 45.100 0.267 0.000 1.062 522 G HN 0.576 nan 8.290 nan 0.000 0.699 523 I N 0.862 121.501 120.570 0.115 0.000 2.610 523 I HA 0.495 4.665 4.170 -0.000 0.000 0.289 523 I C -0.769 175.385 176.117 0.062 0.000 1.163 523 I CA -0.643 60.711 61.300 0.091 0.000 1.044 523 I CB 2.123 40.126 38.000 0.005 0.000 1.251 523 I HN 0.205 nan 8.210 nan 0.000 0.424 524 V N 4.048 124.004 119.914 0.071 0.000 3.119 524 V HA 0.550 4.670 4.120 -0.000 0.000 0.311 524 V C 0.115 176.233 176.094 0.040 0.000 1.259 524 V CA -0.581 61.747 62.300 0.047 0.000 1.067 524 V CB 1.534 33.386 31.823 0.049 0.000 1.123 524 V HN 0.896 nan 8.190 nan 0.000 0.463 525 Q N -0.083 119.735 119.800 0.031 0.000 1.764 525 Q HA -0.336 4.004 4.340 -0.000 0.000 0.419 525 Q C 1.079 177.085 176.000 0.009 0.000 0.871 525 Q CA 2.003 57.825 55.803 0.031 0.000 0.756 525 Q CB -1.572 27.199 28.738 0.056 0.000 4.074 525 Q HN 0.973 nan 8.270 nan 0.000 0.739 526 D N 0.512 120.927 120.400 0.024 0.000 2.321 526 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 526 D C 1.966 178.263 176.300 -0.006 0.000 1.013 526 D CA 2.861 56.864 54.000 0.004 0.000 0.863 526 D CB -0.757 40.066 40.800 0.039 0.000 1.011 526 D HN 0.640 nan 8.370 nan 0.000 0.457 527 T N 0.676 115.244 114.554 0.024 0.000 2.680 527 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 527 T C 1.794 176.486 174.700 -0.014 0.000 1.033 527 T CA 1.533 63.644 62.100 0.019 0.000 1.152 527 T CB -0.504 68.391 68.868 0.046 0.000 0.859 527 T HN 0.079 nan 8.240 nan 0.000 0.452 528 L N 1.265 122.478 121.223 -0.016 0.000 1.950 528 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 528 L C 2.779 179.607 176.870 -0.070 0.000 1.079 528 L CA 1.754 56.571 54.840 -0.038 0.000 0.754 528 L CB -1.590 40.456 42.059 -0.023 0.000 0.889 528 L HN 0.470 nan 8.230 nan 0.000 0.433 529 C N 0.704 119.950 119.300 -0.090 0.000 2.353 529 C HA -0.237 4.223 4.460 -0.000 0.000 0.272 529 C C 2.797 177.683 174.990 -0.174 0.000 1.165 529 C CA 1.562 60.480 59.018 -0.167 0.000 1.786 529 C CB -1.859 25.724 27.740 -0.263 0.000 2.071 529 C HN 0.755 nan 8.230 nan 0.000 0.451 530 G N -0.580 108.150 108.800 -0.117 0.000 2.443 530 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.219 530 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.219 530 G C 1.530 176.395 174.900 -0.059 0.000 1.131 530 G CA 0.758 45.855 45.100 -0.005 0.000 0.775 530 G HN 0.697 nan 8.290 nan 0.000 0.547 531 I N 0.080 120.592 120.570 -0.097 0.000 3.334 531 I HA 0.097 4.267 4.170 -0.000 0.000 0.282 531 I C 2.481 178.496 176.117 -0.169 0.000 1.313 531 I CA 0.355 61.564 61.300 -0.152 0.000 1.396 531 I CB -0.006 37.923 38.000 -0.117 0.000 1.054 531 I HN 0.199 nan 8.210 nan 0.000 0.495 532 R N 0.630 121.047 120.500 -0.138 0.000 2.074 532 R HA -0.013 4.327 4.340 -0.000 0.000 0.218 532 R C 2.107 178.329 176.300 -0.131 0.000 1.137 532 R CA 0.414 56.442 56.100 -0.120 0.000 0.998 532 R CB -0.094 30.156 30.300 -0.084 0.000 0.895 532 R HN 0.125 nan 8.270 nan 0.000 0.442 533 K N 0.882 121.225 120.400 -0.095 0.000 2.001 533 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 533 K C 2.016 178.467 176.600 -0.249 0.000 1.050 533 K CA 1.628 57.903 56.287 -0.020 0.000 0.934 533 K CB -0.486 32.140 32.500 0.210 0.000 0.718 533 K HN 0.152 nan 8.250 nan 0.000 0.443 534 L N 1.613 122.417 121.223 -0.699 0.000 2.551 534 L HA -0.159 4.181 4.340 -0.000 0.000 0.230 534 L C 1.734 178.243 176.870 -0.601 0.000 1.163 534 L CA 1.520 55.628 54.840 -1.220 0.000 0.826 534 L CB -0.350 40.850 42.059 -1.431 0.000 0.943 534 L HN 0.145 nan 8.230 nan 0.000 0.452 535 T N -0.832 113.508 114.554 -0.357 0.000 2.896 535 T HA 0.146 4.496 4.350 -0.000 0.000 0.238 535 T C 0.561 175.153 174.700 -0.181 0.000 1.045 535 T CA -0.008 61.946 62.100 -0.243 0.000 1.248 535 T CB -0.204 68.557 68.868 -0.178 0.000 0.955 535 T HN 0.118 nan 8.240 nan 0.000 0.416 536 L N 2.420 123.575 121.223 -0.114 0.000 4.459 536 L HA -0.269 4.070 4.340 -0.000 0.000 0.554 536 L C 1.699 178.532 176.870 -0.061 0.000 1.098 536 L CA 0.048 54.854 54.840 -0.056 0.000 0.521 536 L CB 0.088 42.142 42.059 -0.008 0.000 0.599 536 L HN 0.352 nan 8.230 nan 0.000 1.090 537 R N 1.972 122.455 120.500 -0.029 0.000 2.113 537 R HA -0.243 4.097 4.340 -0.000 0.000 0.244 537 R C 1.624 177.964 176.300 0.067 0.000 1.142 537 R CA 1.994 58.081 56.100 -0.023 0.000 0.953 537 R CB -0.338 29.986 30.300 0.040 0.000 0.860 537 R HN 0.732 nan 8.270 nan 0.000 0.438 538 D N 0.299 120.782 120.400 0.138 0.000 2.239 538 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 538 D C -0.100 176.407 176.300 0.345 0.000 0.993 538 D CA 1.058 55.199 54.000 0.235 0.000 0.874 538 D CB -0.031 40.853 40.800 0.141 0.000 0.922 538 D HN 0.070 nan 8.370 nan 0.000 0.464 539 T N 0.582 115.243 114.554 0.178 0.000 2.728 539 T HA 0.343 4.693 4.350 -0.000 0.000 0.296 539 T C -0.458 174.278 174.700 0.059 0.000 0.940 539 T CA -0.313 61.898 62.100 0.185 0.000 1.013 539 T CB 0.255 69.162 68.868 0.065 0.000 0.912 539 T HN -0.149 nan 8.240 nan 0.000 0.484 540 F N 2.468 122.477 119.950 0.098 0.000 2.579 540 F HA 0.712 5.239 4.527 -0.000 0.000 0.324 540 F C 0.139 176.044 175.800 0.175 0.000 1.058 540 F CA -1.485 56.585 58.000 0.117 0.000 0.944 540 F CB 1.376 40.432 39.000 0.094 0.000 1.245 540 F HN 0.310 nan 8.300 nan 0.000 0.477 541 I N 0.979 121.784 120.570 0.392 0.000 2.619 541 I HA 0.316 4.485 4.170 -0.000 0.000 0.292 541 I C -0.961 175.417 176.117 0.435 0.000 1.100 541 I CA -0.860 60.646 61.300 0.345 0.000 1.043 541 I CB 2.398 40.548 38.000 0.250 0.000 1.239 541 I HN 0.613 nan 8.210 nan 0.000 0.420 542 E N 5.260 125.659 120.200 0.332 0.000 2.242 542 E HA 0.258 4.608 4.350 -0.000 0.000 0.275 542 E C 0.650 177.399 176.600 0.249 0.000 1.002 542 E CA -0.767 55.861 56.400 0.380 0.000 0.841 542 E CB 2.192 32.043 29.700 0.252 0.000 1.109 542 E HN 0.461 nan 8.360 nan 0.000 0.394 543 L N 3.055 124.500 121.223 0.369 0.000 2.199 543 L HA -0.431 3.909 4.340 -0.000 0.000 0.248 543 L C 2.014 178.856 176.870 -0.047 0.000 1.116 543 L CA 3.143 58.013 54.840 0.050 0.000 0.843 543 L CB -1.024 41.186 42.059 0.252 0.000 0.961 543 L HN 1.024 nan 8.230 nan 0.000 0.441 544 D N -1.320 119.109 120.400 0.047 0.000 2.585 544 D HA -0.376 4.264 4.640 -0.000 0.000 0.190 544 D C 1.886 178.209 176.300 0.037 0.000 1.057 544 D CA 2.687 56.713 54.000 0.043 0.000 0.900 544 D CB -0.652 40.188 40.800 0.066 0.000 0.900 544 D HN 0.809 nan 8.370 nan 0.000 0.463 545 Q N -0.281 119.544 119.800 0.041 0.000 2.200 545 Q HA 0.042 4.382 4.340 -0.000 0.000 0.197 545 Q C 2.558 178.557 176.000 -0.001 0.000 0.953 545 Q CA 0.411 56.263 55.803 0.081 0.000 0.851 545 Q CB 0.322 29.120 28.738 0.100 0.000 0.938 545 Q HN 0.181 nan 8.270 nan 0.000 0.488 546 V N 1.684 121.507 119.914 -0.152 0.000 2.546 546 V HA -0.296 3.824 4.120 -0.000 0.000 0.254 546 V C 2.162 178.021 176.094 -0.390 0.000 1.076 546 V CA 1.401 63.482 62.300 -0.364 0.000 1.087 546 V CB -0.509 30.780 31.823 -0.889 0.000 0.674 546 V HN 0.382 nan 8.190 nan 0.000 0.470 547 L N -0.469 120.579 121.223 -0.293 0.000 2.023 547 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 547 L C 2.492 179.251 176.870 -0.185 0.000 1.073 547 L CA 1.496 56.178 54.840 -0.262 0.000 0.745 547 L CB -0.728 41.246 42.059 -0.142 0.000 0.900 547 L HN 0.364 nan 8.230 nan 0.000 0.435 548 N N 0.077 118.760 118.700 -0.027 0.000 2.084 548 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 548 N C 1.937 177.445 175.510 -0.003 0.000 1.030 548 N CA 1.413 54.496 53.050 0.054 0.000 0.849 548 N CB -0.185 38.379 38.487 0.128 0.000 1.012 548 N HN 0.305 nan 8.380 nan 0.000 0.423 549 M N 0.784 120.402 119.600 0.029 0.000 2.082 549 M HA -0.187 4.293 4.480 -0.000 0.000 0.258 549 M C 2.146 178.376 176.300 -0.118 0.000 1.069 549 M CA 1.433 56.738 55.300 0.009 0.000 1.102 549 M CB -0.450 32.174 32.600 0.040 0.000 1.336 549 M HN 0.105 nan 8.290 nan 0.000 0.404 550 L N -1.485 119.525 121.223 -0.354 0.000 1.970 550 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 550 L C 2.580 179.162 176.870 -0.480 0.000 1.071 550 L CA 1.506 55.893 54.840 -0.755 0.000 0.751 550 L CB -1.093 40.029 42.059 -1.563 0.000 0.889 550 L HN 0.236 nan 8.230 nan 0.000 0.432 551 Y N -0.465 119.559 120.300 -0.460 0.000 2.283 551 Y HA -0.297 4.253 4.550 -0.000 0.000 0.285 551 Y C 2.084 177.968 175.900 -0.027 0.000 1.176 551 Y CA 1.018 59.038 58.100 -0.132 0.000 1.229 551 Y CB -0.535 37.885 38.460 -0.067 0.000 0.975 551 Y HN 0.130 nan 8.280 nan 0.000 0.537 552 W N -0.282 120.837 121.300 -0.300 0.000 2.379 552 W HA -0.009 4.651 4.660 -0.000 0.000 0.307 552 W C 0.790 177.184 176.519 -0.208 0.000 1.200 552 W CA 1.408 58.552 57.345 -0.335 0.000 1.297 552 W CB -0.932 28.340 29.460 -0.314 0.000 1.140 552 W HN -0.404 nan 8.180 nan 0.000 0.507 553 V N 4.962 124.929 119.914 0.088 0.000 2.420 553 V HA -0.096 4.024 4.120 -0.000 0.000 0.274 553 V C -0.726 175.412 176.094 0.075 0.000 1.003 553 V CA -0.395 61.953 62.300 0.081 0.000 1.092 553 V CB 0.047 31.928 31.823 0.096 0.000 1.002 553 V HN 0.010 nan 8.190 nan 0.000 0.473 554 P HA -0.170 nan 4.420 nan 0.000 0.219 554 P C 0.473 177.809 177.300 0.059 0.000 1.144 554 P CA 1.336 64.420 63.100 -0.025 0.000 0.806 554 P CB 0.358 32.023 31.700 -0.059 0.000 0.771 555 D N -2.022 118.439 120.400 0.101 0.000 2.559 555 D HA 0.026 4.666 4.640 -0.000 0.000 0.234 555 D C 0.042 176.440 176.300 0.163 0.000 1.226 555 D CA -0.464 53.596 54.000 0.101 0.000 0.830 555 D CB -0.404 40.436 40.800 0.067 0.000 1.028 555 D HN 0.192 nan 8.370 nan 0.000 0.492 556 W N 4.380 125.694 121.300 0.024 0.000 2.381 556 W HA -0.003 4.657 4.660 -0.000 0.000 0.321 556 W C 1.066 177.607 176.519 0.038 0.000 1.407 556 W CA -0.855 56.513 57.345 0.038 0.000 1.274 556 W CB 0.545 30.042 29.460 0.062 0.000 1.310 556 W HN -0.019 nan 8.180 nan 0.000 0.551 557 D N 4.027 124.216 120.400 -0.353 0.000 2.379 557 D HA -0.046 4.594 4.640 -0.000 0.000 0.243 557 D C 1.430 177.247 176.300 -0.806 0.000 1.088 557 D CA 0.775 54.521 54.000 -0.424 0.000 0.925 557 D CB -0.724 39.943 40.800 -0.221 0.000 0.888 557 D HN 0.807 nan 8.370 nan 0.000 0.529 558 G N -0.152 107.552 108.800 -1.827 0.000 2.273 558 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.280 558 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.280 558 G C 0.003 174.161 174.900 -1.236 0.000 1.047 558 G CA 0.200 43.960 45.100 -2.233 0.000 0.869 558 G HN 0.399 nan 8.290 nan 0.000 0.502 559 V N 2.473 121.896 119.914 -0.819 0.000 2.320 559 V HA 0.291 4.411 4.120 -0.000 0.000 0.268 559 V C 1.024 177.379 176.094 0.434 0.000 1.021 559 V CA -0.836 61.447 62.300 -0.028 0.000 0.813 559 V CB 0.818 32.618 31.823 -0.039 0.000 1.054 559 V HN 0.510 nan 8.190 nan 0.000 0.444 560 I N 4.003 124.913 120.570 0.566 0.000 3.076 560 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 560 I C -1.470 174.853 176.117 0.343 0.000 1.204 560 I CA -0.886 60.675 61.300 0.435 0.000 1.370 560 I CB -0.381 37.804 38.000 0.308 0.000 1.444 560 I HN 0.342 nan 8.210 nan 0.000 0.549 561 P HA 0.048 nan 4.420 nan 0.000 0.268 561 P C -0.133 177.440 177.300 0.456 0.000 1.204 561 P CA -0.100 63.199 63.100 0.330 0.000 0.768 561 P CB 0.487 32.358 31.700 0.286 0.000 0.842 562 T N 4.563 119.284 114.554 0.277 0.000 2.822 562 T HA 0.095 4.445 4.350 -0.000 0.000 0.288 562 T C -2.069 172.667 174.700 0.060 0.000 0.991 562 T CA -0.644 61.561 62.100 0.176 0.000 1.176 562 T CB -1.076 67.842 68.868 0.084 0.000 0.951 562 T HN 0.365 nan 8.240 nan 0.000 0.526 563 P HA 0.144 nan 4.420 nan 0.000 0.264 563 P C 0.541 177.603 177.300 -0.396 0.000 1.183 563 P CA -0.149 62.422 63.100 -0.882 0.000 0.763 563 P CB 0.385 31.406 31.700 -1.131 0.000 0.807 564 A N 4.320 126.950 122.820 -0.317 0.000 1.969 564 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 564 A C 0.964 178.494 177.584 -0.089 0.000 1.169 564 A CA 1.201 53.166 52.037 -0.119 0.000 0.635 564 A CB -0.513 18.449 19.000 -0.063 0.000 0.810 564 A HN 0.533 nan 8.150 nan 0.000 0.445 565 I N 0.153 120.642 120.570 -0.135 0.000 2.389 565 I HA 0.306 4.476 4.170 -0.000 0.000 0.288 565 I C 0.010 176.022 176.117 -0.176 0.000 0.999 565 I CA -0.180 61.069 61.300 -0.085 0.000 1.129 565 I CB 1.786 39.798 38.000 0.020 0.000 1.288 565 I HN 0.193 nan 8.210 nan 0.000 0.444 566 I N 5.050 125.545 120.570 -0.125 0.000 4.288 566 I HA 0.016 4.186 4.170 -0.000 0.000 0.331 566 I C 1.759 177.831 176.117 -0.074 0.000 1.322 566 I CA -0.178 61.051 61.300 -0.120 0.000 1.149 566 I CB -0.118 37.825 38.000 -0.096 0.000 1.112 566 I HN 0.533 nan 8.210 nan 0.000 0.403 567 K N 3.180 123.544 120.400 -0.060 0.000 2.101 567 K HA -0.074 4.246 4.320 -0.000 0.000 0.226 567 K C -0.706 175.870 176.600 -0.041 0.000 0.919 567 K CA 1.031 57.291 56.287 -0.044 0.000 1.062 567 K CB -2.352 30.124 32.500 -0.041 0.000 0.698 567 K HN 0.033 nan 8.250 nan 0.000 0.597 568 P HA -0.132 nan 4.420 nan 0.000 0.213 568 P C -0.109 177.174 177.300 -0.028 0.000 1.170 568 P CA 1.378 64.459 63.100 -0.032 0.000 0.889 568 P CB 0.133 31.814 31.700 -0.033 0.000 0.782 569 K N 1.120 121.498 120.400 -0.036 0.000 2.274 569 K HA 0.334 4.654 4.320 -0.000 0.000 0.262 569 K C -2.501 174.066 176.600 -0.055 0.000 0.961 569 K CA -2.704 53.569 56.287 -0.023 0.000 0.833 569 K CB 1.809 34.305 32.500 -0.007 0.000 1.102 569 K HN -0.050 nan 8.250 nan 0.000 0.436 570 P HA 0.094 nan 4.420 nan 0.000 0.275 570 P C -1.169 175.960 177.300 -0.286 0.000 1.276 570 P CA -0.322 62.642 63.100 -0.228 0.000 0.782 570 P CB 0.621 32.205 31.700 -0.193 0.000 0.851 571 L N 4.547 125.579 121.223 -0.319 0.000 2.323 571 L HA 0.606 4.945 4.340 -0.000 0.000 0.265 571 L C -0.010 176.749 176.870 -0.184 0.000 1.012 571 L CA -0.483 54.334 54.840 -0.038 0.000 0.820 571 L CB 1.504 43.687 42.059 0.207 0.000 1.334 571 L HN 0.411 nan 8.230 nan 0.000 0.427 572 W N 0.260 121.656 121.300 0.160 0.000 2.781 572 W HA 0.609 5.269 4.660 -0.000 0.000 0.345 572 W C -0.262 176.217 176.519 -0.067 0.000 1.085 572 W CA -0.732 56.642 57.345 0.048 0.000 1.198 572 W CB 2.287 31.761 29.460 0.023 0.000 1.423 572 W HN 0.523 nan 8.180 nan 0.000 0.532 573 S N -0.223 115.463 115.700 -0.024 0.000 2.651 573 S HA 0.529 4.999 4.470 -0.000 0.000 0.291 573 S C 0.886 175.374 174.600 -0.186 0.000 1.141 573 S CA -0.101 57.899 58.200 -0.333 0.000 1.027 573 S CB 1.799 64.707 63.200 -0.488 0.000 1.043 573 S HN 0.631 nan 8.310 nan 0.000 0.530 574 G N 1.571 110.212 108.800 -0.264 0.000 2.587 574 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 574 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 574 G C 1.149 175.908 174.900 -0.235 0.000 1.240 574 G CA 0.887 45.804 45.100 -0.306 0.000 0.794 574 G HN 0.815 nan 8.290 nan 0.000 0.580 575 K N 0.146 120.419 120.400 -0.211 0.000 2.189 575 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 575 K C 2.545 179.081 176.600 -0.106 0.000 1.046 575 K CA 1.559 57.754 56.287 -0.154 0.000 0.928 575 K CB -0.232 32.190 32.500 -0.130 0.000 0.720 575 K HN 0.416 nan 8.250 nan 0.000 0.458 576 Q N 0.456 120.204 119.800 -0.086 0.000 2.050 576 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 576 Q C 2.309 178.311 176.000 0.003 0.000 0.980 576 Q CA 1.786 57.585 55.803 -0.006 0.000 0.840 576 Q CB -0.049 28.734 28.738 0.074 0.000 0.898 576 Q HN 0.579 nan 8.270 nan 0.000 0.424 577 I N -2.771 117.773 120.570 -0.044 0.000 2.731 577 I HA -0.044 4.125 4.170 -0.000 0.000 0.260 577 I C 2.124 178.192 176.117 -0.082 0.000 1.138 577 I CA 0.249 61.509 61.300 -0.065 0.000 1.461 577 I CB -0.360 37.570 38.000 -0.116 0.000 1.128 577 I HN 0.051 nan 8.210 nan 0.000 0.438 578 L N 1.623 122.771 121.223 -0.126 0.000 2.197 578 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 578 L C 2.279 179.102 176.870 -0.078 0.000 1.095 578 L CA 1.913 56.679 54.840 -0.123 0.000 0.764 578 L CB -0.752 41.207 42.059 -0.167 0.000 0.897 578 L HN 0.301 nan 8.230 nan 0.000 0.436 579 S N -1.183 114.480 115.700 -0.061 0.000 2.383 579 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 579 S C 1.890 176.490 174.600 0.001 0.000 1.026 579 S CA 1.226 59.406 58.200 -0.033 0.000 0.981 579 S CB -0.381 62.805 63.200 -0.022 0.000 0.818 579 S HN 0.405 nan 8.310 nan 0.000 0.472 580 V N 2.109 122.033 119.914 0.018 0.000 2.527 580 V HA -0.289 3.831 4.120 -0.000 0.000 0.255 580 V C 2.446 178.580 176.094 0.067 0.000 1.081 580 V CA 1.745 64.085 62.300 0.067 0.000 1.092 580 V CB -1.325 30.535 31.823 0.062 0.000 0.673 580 V HN 0.549 nan 8.190 nan 0.000 0.470 581 A N -0.265 122.571 122.820 0.027 0.000 1.898 581 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 581 A C 1.211 178.804 177.584 0.015 0.000 1.183 581 A CA 0.411 52.463 52.037 0.026 0.000 0.622 581 A CB -0.308 18.693 19.000 0.002 0.000 0.824 581 A HN 0.506 nan 8.150 nan 0.000 0.444 582 I N 3.024 123.591 120.570 -0.005 0.000 2.581 582 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 582 I C -1.888 174.234 176.117 0.009 0.000 1.129 582 I CA -1.518 59.775 61.300 -0.012 0.000 1.397 582 I CB 0.387 38.368 38.000 -0.031 0.000 1.399 582 I HN 0.231 nan 8.210 nan 0.000 0.537 583 P HA 0.006 nan 4.420 nan 0.000 0.271 583 P C -0.892 176.423 177.300 0.024 0.000 1.233 583 P CA -0.280 62.836 63.100 0.026 0.000 0.789 583 P CB 0.488 32.205 31.700 0.028 0.000 0.951 584 N N -0.034 118.683 118.700 0.028 0.000 2.508 584 N HA 0.254 4.994 4.740 -0.000 0.000 0.264 584 N C 1.496 177.027 175.510 0.036 0.000 1.216 584 N CA 0.734 53.801 53.050 0.029 0.000 0.943 584 N CB 0.330 38.833 38.487 0.026 0.000 1.113 584 N HN 0.816 nan 8.380 nan 0.000 0.447 585 G N 0.215 109.042 108.800 0.045 0.000 2.279 585 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.223 585 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.223 585 G C 0.234 175.191 174.900 0.094 0.000 1.015 585 G CA -0.448 44.694 45.100 0.070 0.000 0.621 585 G HN 0.493 nan 8.290 nan 0.000 0.506 586 I N 2.020 122.627 120.570 0.063 0.000 2.872 586 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 586 I C 0.553 176.725 176.117 0.092 0.000 1.216 586 I CA 0.632 61.970 61.300 0.063 0.000 1.424 586 I CB 0.361 38.372 38.000 0.019 0.000 1.351 586 I HN 0.297 nan 8.210 nan 0.000 0.592 587 H N 5.679 124.758 119.070 0.015 0.000 2.954 587 H HA 0.565 5.120 4.556 -0.000 0.000 0.361 587 H C -1.738 173.597 175.328 0.013 0.000 1.122 587 H CA -0.677 55.385 56.048 0.023 0.000 1.217 587 H CB 2.178 31.965 29.762 0.040 0.000 1.776 587 H HN 0.400 nan 8.280 nan 0.000 0.533 588 L N 3.894 125.177 121.223 0.100 0.000 2.562 588 L HA 0.299 4.639 4.340 -0.000 0.000 0.266 588 L C -1.319 175.594 176.870 0.071 0.000 0.949 588 L CA -0.144 54.745 54.840 0.081 0.000 0.879 588 L CB 1.935 43.989 42.059 -0.008 0.000 1.278 588 L HN 0.608 nan 8.230 nan 0.000 0.404 589 Q N 3.892 123.774 119.800 0.136 0.000 2.333 589 Q HA 0.529 4.869 4.340 -0.000 0.000 0.267 589 Q C -0.383 175.734 176.000 0.195 0.000 1.012 589 Q CA -0.556 55.363 55.803 0.193 0.000 0.824 589 Q CB 3.230 32.138 28.738 0.283 0.000 1.290 589 Q HN 0.694 nan 8.270 nan 0.000 0.449 590 R N 1.723 122.353 120.500 0.217 0.000 1.787 590 R HA 0.373 4.713 4.340 -0.000 0.000 0.132 590 R C -0.918 175.657 176.300 0.458 0.000 2.093 590 R CA 0.074 56.292 56.100 0.197 0.000 1.747 590 R CB 0.737 31.034 30.300 -0.005 0.000 1.388 590 R HN 0.573 nan 8.270 nan 0.000 0.484 591 F N 1.343 121.317 119.950 0.039 0.000 2.172 591 F HA -0.186 4.341 4.527 -0.000 0.000 0.517 591 F C -0.112 175.711 175.800 0.037 0.000 1.283 591 F CA 0.120 58.158 58.000 0.063 0.000 1.659 591 F CB -0.927 38.112 39.000 0.065 0.000 2.647 591 F HN 0.440 nan 8.300 nan 0.000 0.726 592 D N 2.034 122.508 120.400 0.123 0.000 2.359 592 D HA 0.147 4.787 4.640 -0.000 0.000 0.284 592 D C 1.465 177.819 176.300 0.090 0.000 1.176 592 D CA 0.266 54.315 54.000 0.082 0.000 1.011 592 D CB 0.176 40.998 40.800 0.036 0.000 1.010 592 D HN 0.621 nan 8.370 nan 0.000 0.333 593 E N 0.395 120.630 120.200 0.058 0.000 2.110 593 E HA 0.167 4.517 4.350 -0.000 0.000 0.220 593 E C 0.858 177.497 176.600 0.066 0.000 0.893 593 E CA -0.099 56.333 56.400 0.054 0.000 1.027 593 E CB -0.499 29.219 29.700 0.031 0.000 1.017 593 E HN 0.232 nan 8.360 nan 0.000 0.522 594 G N 1.226 110.052 108.800 0.043 0.000 2.367 594 G HA2 0.198 4.158 3.960 -0.000 0.000 0.282 594 G HA3 0.198 4.158 3.960 -0.000 0.000 0.282 594 G C -0.751 174.169 174.900 0.033 0.000 1.140 594 G CA 0.191 45.315 45.100 0.039 0.000 1.088 594 G HN 0.040 nan 8.290 nan 0.000 0.431 595 T N 0.625 115.214 114.554 0.060 0.000 2.952 595 T HA 0.615 4.965 4.350 -0.000 0.000 0.305 595 T C 0.118 174.848 174.700 0.049 0.000 1.064 595 T CA -0.532 61.564 62.100 -0.007 0.000 1.008 595 T CB 1.968 70.801 68.868 -0.058 0.000 1.078 595 T HN 0.659 nan 8.240 nan 0.000 0.459 596 T N 0.131 114.645 114.554 -0.066 0.000 4.487 596 T HA 0.304 4.653 4.350 -0.000 0.000 0.232 596 T C 0.452 175.096 174.700 -0.094 0.000 0.941 596 T CA -0.705 61.404 62.100 0.016 0.000 1.315 596 T CB -0.818 68.052 68.868 0.004 0.000 0.851 596 T HN 0.468 nan 8.240 nan 0.000 0.559 597 L N -0.317 120.802 121.223 -0.174 0.000 4.396 597 L HA -0.190 4.150 4.340 -0.000 0.000 0.440 597 L C 0.863 177.445 176.870 -0.481 0.000 1.113 597 L CA 1.447 56.116 54.840 -0.285 0.000 0.975 597 L CB -1.289 40.753 42.059 -0.028 0.000 1.852 597 L HN 0.734 nan 8.230 nan 0.000 1.048 598 L N -0.712 120.227 121.223 -0.474 0.000 3.693 598 L HA 0.170 4.510 4.340 -0.000 0.000 0.357 598 L C 0.778 177.460 176.870 -0.313 0.000 1.330 598 L CA 0.309 54.921 54.840 -0.380 0.000 1.046 598 L CB 0.448 42.390 42.059 -0.196 0.000 1.407 598 L HN 0.264 nan 8.230 nan 0.000 0.614 599 S N 0.761 116.231 115.700 -0.384 0.000 4.080 599 S HA -0.075 4.395 4.470 -0.000 0.000 0.487 599 S C -1.093 173.448 174.600 -0.098 0.000 0.925 599 S CA -0.373 57.723 58.200 -0.172 0.000 1.594 599 S CB -0.552 62.627 63.200 -0.035 0.000 0.960 599 S HN 0.390 nan 8.310 nan 0.000 0.565 600 P HA -0.194 nan 4.420 nan 0.000 0.210 600 P C 1.045 178.335 177.300 -0.016 0.000 1.185 600 P CA 1.391 64.467 63.100 -0.040 0.000 0.924 600 P CB -0.000 31.684 31.700 -0.027 0.000 0.786 601 K N -0.807 119.590 120.400 -0.006 0.000 2.589 601 K HA -0.145 4.175 4.320 -0.000 0.000 0.195 601 K C 0.218 176.827 176.600 0.015 0.000 1.040 601 K CA 0.853 57.144 56.287 0.006 0.000 0.950 601 K CB -0.882 31.622 32.500 0.008 0.000 0.781 601 K HN 0.126 nan 8.250 nan 0.000 0.486 602 D N 0.471 120.885 120.400 0.023 0.000 2.705 602 D HA -0.144 4.496 4.640 -0.000 0.000 0.240 602 D C -0.438 175.897 176.300 0.058 0.000 1.137 602 D CA 0.424 54.460 54.000 0.060 0.000 0.677 602 D CB -1.022 39.802 40.800 0.040 0.000 1.049 602 D HN 0.239 nan 8.370 nan 0.000 0.427 603 N N -0.173 118.562 118.700 0.058 0.000 2.694 603 N HA 0.615 5.355 4.740 -0.000 0.000 0.303 603 N C 1.580 177.097 175.510 0.012 0.000 1.364 603 N CA 0.163 53.227 53.050 0.022 0.000 0.862 603 N CB -0.765 37.730 38.487 0.012 0.000 1.107 603 N HN 0.425 nan 8.380 nan 0.000 0.512 604 G N 0.650 109.427 108.800 -0.039 0.000 2.578 604 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.313 604 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.313 604 G C -0.231 174.517 174.900 -0.253 0.000 1.324 604 G CA 1.212 46.232 45.100 -0.133 0.000 0.955 604 G HN 0.734 nan 8.290 nan 0.000 0.541 605 M N -2.132 117.158 119.600 -0.516 0.000 2.564 605 M HA 0.604 5.084 4.480 -0.000 0.000 0.278 605 M C -2.311 173.567 176.300 -0.705 0.000 0.975 605 M CA -0.541 54.383 55.300 -0.626 0.000 0.850 605 M CB 1.338 33.762 32.600 -0.294 0.000 1.845 605 M HN 1.940 nan 8.290 nan 0.000 0.561 606 L N 6.321 127.035 121.223 -0.848 0.000 2.596 606 L HA 0.784 5.124 4.340 -0.000 0.000 0.265 606 L C -2.158 174.529 176.870 -0.306 0.000 0.962 606 L CA -0.149 54.401 54.840 -0.484 0.000 0.891 606 L CB 1.581 43.401 42.059 -0.399 0.000 1.248 606 L HN 0.767 nan 8.230 nan 0.000 0.410 607 I N 5.817 126.262 120.570 -0.208 0.000 2.441 607 I HA 0.547 4.716 4.170 -0.000 0.000 0.295 607 I C -0.507 175.461 176.117 -0.249 0.000 0.994 607 I CA -0.609 60.586 61.300 -0.175 0.000 1.144 607 I CB 1.825 39.746 38.000 -0.132 0.000 1.314 607 I HN 0.483 nan 8.210 nan 0.000 0.445 608 I N 4.337 124.775 120.570 -0.220 0.000 2.582 608 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 608 I C -0.022 176.010 176.117 -0.142 0.000 1.066 608 I CA -0.387 60.719 61.300 -0.323 0.000 1.053 608 I CB 1.908 39.760 38.000 -0.246 0.000 1.241 608 I HN 0.670 nan 8.210 nan 0.000 0.421 609 D N 4.424 124.765 120.400 -0.098 0.000 2.931 609 D HA -0.220 4.420 4.640 -0.000 0.000 0.228 609 D C 0.972 177.268 176.300 -0.006 0.000 1.180 609 D CA 1.846 55.845 54.000 -0.001 0.000 0.784 609 D CB -0.610 40.206 40.800 0.026 0.000 1.093 609 D HN 1.161 nan 8.370 nan 0.000 0.421 610 G N -1.462 107.318 108.800 -0.033 0.000 2.132 610 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.234 610 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.234 610 G C -0.227 174.657 174.900 -0.027 0.000 0.989 610 G CA 0.331 45.418 45.100 -0.022 0.000 0.676 610 G HN 0.460 nan 8.290 nan 0.000 0.522 611 Q N -0.068 119.709 119.800 -0.039 0.000 2.331 611 Q HA 0.519 4.859 4.340 -0.000 0.000 0.267 611 Q C 0.615 176.582 176.000 -0.054 0.000 1.006 611 Q CA -0.823 54.962 55.803 -0.029 0.000 0.818 611 Q CB 1.666 30.402 28.738 -0.004 0.000 1.276 611 Q HN 0.461 nan 8.270 nan 0.000 0.450 612 I N 3.751 124.284 120.570 -0.063 0.000 2.664 612 I HA -0.110 4.060 4.170 -0.000 0.000 0.284 612 I C 1.353 177.436 176.117 -0.056 0.000 1.154 612 I CA 0.400 61.646 61.300 -0.090 0.000 1.402 612 I CB 0.337 38.276 38.000 -0.102 0.000 1.395 612 I HN 0.614 nan 8.210 nan 0.000 0.545 613 I N 7.214 127.752 120.570 -0.053 0.000 2.703 613 I HA 0.029 4.199 4.170 -0.000 0.000 0.259 613 I C 0.191 176.426 176.117 0.196 0.000 1.151 613 I CA 0.644 61.985 61.300 0.067 0.000 1.470 613 I CB 0.244 38.322 38.000 0.129 0.000 1.112 613 I HN 0.585 nan 8.210 nan 0.000 0.437 614 F N -0.700 119.203 119.950 -0.079 0.000 2.793 614 F HA 0.611 5.138 4.527 -0.000 0.000 0.316 614 F C -0.633 175.108 175.800 -0.098 0.000 1.147 614 F CA -0.634 57.313 58.000 -0.088 0.000 0.930 614 F CB 0.233 39.180 39.000 -0.088 0.000 1.277 614 F HN -0.044 nan 8.300 nan 0.000 0.443 615 G N 1.105 109.941 108.800 0.061 0.000 2.788 615 G HA2 0.296 4.255 3.960 -0.000 0.000 0.686 615 G HA3 0.296 4.255 3.960 -0.000 0.000 0.686 615 G C -1.380 173.460 174.900 -0.100 0.000 1.147 615 G CA -0.676 44.384 45.100 -0.066 0.000 0.755 615 G HN 1.469 nan 8.290 nan 0.000 0.634 616 V N 1.615 121.488 119.914 -0.068 0.000 2.637 616 V HA 0.380 4.500 4.120 -0.000 0.000 0.296 616 V C 1.217 177.252 176.094 -0.099 0.000 1.046 616 V CA -0.512 61.740 62.300 -0.079 0.000 1.066 616 V CB 1.462 33.253 31.823 -0.053 0.000 0.968 616 V HN 0.867 nan 8.190 nan 0.000 0.483 617 V N 5.422 125.270 119.914 -0.111 0.000 2.383 617 V HA 0.571 4.691 4.120 -0.000 0.000 0.275 617 V C -0.038 176.000 176.094 -0.093 0.000 1.036 617 V CA -0.158 62.076 62.300 -0.110 0.000 0.889 617 V CB 0.903 32.650 31.823 -0.127 0.000 0.985 617 V HN 1.194 nan 8.190 nan 0.000 0.459 618 E N 2.610 122.765 120.200 -0.075 0.000 2.447 618 E HA 0.411 4.761 4.350 -0.000 0.000 0.279 618 E C 0.519 177.092 176.600 -0.046 0.000 1.053 618 E CA -0.970 55.395 56.400 -0.059 0.000 0.840 618 E CB 0.872 30.544 29.700 -0.047 0.000 1.409 618 E HN 0.154 nan 8.360 nan 0.000 0.461 619 K N 0.530 120.910 120.400 -0.032 0.000 2.209 619 K HA -0.426 3.894 4.320 -0.000 0.000 0.220 619 K C 1.277 177.866 176.600 -0.019 0.000 1.002 619 K CA 2.921 59.196 56.287 -0.020 0.000 0.947 619 K CB -0.326 32.170 32.500 -0.007 0.000 0.891 619 K HN 0.520 nan 8.250 nan 0.000 0.476 620 K N -1.040 119.349 120.400 -0.018 0.000 2.360 620 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 620 K C 1.641 178.229 176.600 -0.022 0.000 1.046 620 K CA 1.708 57.987 56.287 -0.013 0.000 0.940 620 K CB 0.066 32.559 32.500 -0.011 0.000 0.748 620 K HN 0.303 nan 8.250 nan 0.000 0.465 621 T N -0.914 113.616 114.554 -0.040 0.000 2.971 621 T HA 0.082 4.432 4.350 -0.000 0.000 0.252 621 T C 0.779 175.440 174.700 -0.064 0.000 1.022 621 T CA 0.073 62.140 62.100 -0.054 0.000 0.980 621 T CB 0.931 69.751 68.868 -0.079 0.000 1.044 621 T HN -0.006 nan 8.240 nan 0.000 0.501 622 V N 1.356 121.229 119.914 -0.067 0.000 3.293 622 V HA 0.578 4.698 4.120 -0.000 0.000 0.381 622 V C 0.340 176.386 176.094 -0.080 0.000 1.465 622 V CA -0.107 62.136 62.300 -0.095 0.000 1.331 622 V CB 0.132 31.884 31.823 -0.118 0.000 1.160 622 V HN 0.415 nan 8.190 nan 0.000 0.565 623 G N 0.203 108.979 108.800 -0.040 0.000 2.795 623 G HA2 0.419 4.379 3.960 -0.000 0.000 0.267 623 G HA3 0.419 4.379 3.960 -0.000 0.000 0.267 623 G C 0.661 175.566 174.900 0.008 0.000 1.362 623 G CA 0.319 45.413 45.100 -0.009 0.000 1.048 623 G HN 0.689 nan 8.290 nan 0.000 0.547 624 S N -0.415 115.300 115.700 0.025 0.000 2.859 624 S HA 0.211 4.681 4.470 -0.000 0.000 0.245 624 S C 1.076 175.671 174.600 -0.008 0.000 1.008 624 S CA 0.202 58.414 58.200 0.021 0.000 1.089 624 S CB -1.049 62.166 63.200 0.024 0.000 0.798 624 S HN 0.865 nan 8.310 nan 0.000 0.477 625 S N 1.190 116.888 115.700 -0.003 0.000 2.617 625 S HA 0.226 4.696 4.470 -0.000 0.000 0.255 625 S C 1.110 175.698 174.600 -0.020 0.000 1.318 625 S CA -0.596 57.603 58.200 -0.001 0.000 0.978 625 S CB 0.241 63.446 63.200 0.010 0.000 0.961 625 S HN 0.381 nan 8.310 nan 0.000 0.582 626 N N 1.231 119.933 118.700 0.004 0.000 2.054 626 N HA -0.027 4.713 4.740 -0.000 0.000 0.193 626 N C 1.455 177.042 175.510 0.129 0.000 1.066 626 N CA 1.580 54.635 53.050 0.008 0.000 0.853 626 N CB -1.087 37.435 38.487 0.058 0.000 1.048 626 N HN 0.849 nan 8.380 nan 0.000 0.431 627 G N 0.472 109.364 108.800 0.153 0.000 3.530 627 G HA2 0.353 4.312 3.960 -0.000 0.000 0.269 627 G HA3 0.353 4.312 3.960 -0.000 0.000 0.269 627 G C 0.465 175.439 174.900 0.123 0.000 1.314 627 G CA -0.096 45.115 45.100 0.186 0.000 1.441 627 G HN 0.401 nan 8.290 nan 0.000 0.595 628 G N -0.711 108.163 108.800 0.123 0.000 2.651 628 G HA2 0.277 4.237 3.960 -0.000 0.000 0.260 628 G HA3 0.277 4.237 3.960 -0.000 0.000 0.260 628 G C 1.099 176.031 174.900 0.053 0.000 1.216 628 G CA -0.712 44.425 45.100 0.062 0.000 0.913 628 G HN 0.232 nan 8.290 nan 0.000 0.535 629 L N 0.062 121.282 121.223 -0.005 0.000 2.013 629 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 629 L C 2.827 179.687 176.870 -0.017 0.000 1.073 629 L CA 1.347 56.170 54.840 -0.029 0.000 0.753 629 L CB -0.286 41.727 42.059 -0.077 0.000 0.890 629 L HN 0.591 nan 8.230 nan 0.000 0.432 630 I N -1.231 119.319 120.570 -0.033 0.000 2.076 630 I HA -0.390 3.780 4.170 -0.000 0.000 0.237 630 I C 2.560 178.743 176.117 0.110 0.000 1.059 630 I CA 1.533 62.831 61.300 -0.005 0.000 1.317 630 I CB -0.911 37.085 38.000 -0.007 0.000 1.037 630 I HN 0.377 nan 8.210 nan 0.000 0.398 631 H N 1.175 120.250 119.070 0.008 0.000 2.368 631 H HA -0.194 4.362 4.556 -0.000 0.000 0.292 631 H C 2.031 177.367 175.328 0.013 0.000 1.117 631 H CA 2.273 58.330 56.048 0.014 0.000 1.231 631 H CB -0.505 29.264 29.762 0.013 0.000 1.359 631 H HN 0.118 nan 8.280 nan 0.000 0.490 632 V N -0.642 119.287 119.914 0.025 0.000 2.255 632 V HA -0.207 3.913 4.120 -0.000 0.000 0.243 632 V C 2.844 178.930 176.094 -0.013 0.000 1.038 632 V CA 1.459 63.727 62.300 -0.053 0.000 1.008 632 V CB -0.884 30.930 31.823 -0.016 0.000 0.645 632 V HN 0.303 nan 8.190 nan 0.000 0.449 633 V N 0.358 120.280 119.914 0.012 0.000 2.317 633 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 633 V C 2.552 178.667 176.094 0.034 0.000 1.065 633 V CA 2.776 65.089 62.300 0.021 0.000 1.049 633 V CB -1.408 30.424 31.823 0.015 0.000 0.651 633 V HN 0.648 nan 8.190 nan 0.000 0.450 634 T N -0.329 114.257 114.554 0.054 0.000 2.595 634 T HA -0.206 4.144 4.350 -0.000 0.000 0.264 634 T C 2.113 176.832 174.700 0.030 0.000 1.058 634 T CA 1.541 63.678 62.100 0.062 0.000 1.166 634 T CB -0.287 68.638 68.868 0.096 0.000 0.863 634 T HN 0.307 nan 8.240 nan 0.000 0.415 635 R N 0.696 121.197 120.500 0.002 0.000 2.080 635 R HA -0.053 4.287 4.340 -0.000 0.000 0.236 635 R C 2.440 178.740 176.300 -0.001 0.000 1.137 635 R CA 1.485 57.574 56.100 -0.018 0.000 0.943 635 R CB -0.690 29.557 30.300 -0.089 0.000 0.846 635 R HN 0.422 nan 8.270 nan 0.000 0.431 636 E N 0.905 121.100 120.200 -0.007 0.000 1.984 636 E HA -0.163 4.187 4.350 -0.000 0.000 0.203 636 E C 1.883 178.499 176.600 0.025 0.000 0.998 636 E CA 1.530 57.937 56.400 0.011 0.000 0.865 636 E CB -0.006 29.705 29.700 0.018 0.000 0.806 636 E HN -0.067 nan 8.360 nan 0.000 0.504 637 K N -0.450 119.968 120.400 0.031 0.000 2.057 637 K HA 0.064 4.384 4.320 -0.000 0.000 0.207 637 K C 0.963 177.583 176.600 0.034 0.000 1.049 637 K CA 1.297 57.605 56.287 0.035 0.000 0.931 637 K CB -0.400 32.121 32.500 0.036 0.000 0.714 637 K HN 0.376 nan 8.250 nan 0.000 0.440 638 G N -1.122 107.699 108.800 0.035 0.000 2.356 638 G HA2 0.023 3.982 3.960 -0.000 0.000 0.288 638 G HA3 0.023 3.982 3.960 -0.000 0.000 0.288 638 G C -2.657 172.266 174.900 0.038 0.000 1.302 638 G CA -0.244 44.877 45.100 0.034 0.000 0.887 638 G HN -0.155 nan 8.290 nan 0.000 0.521 639 P HA 0.056 nan 4.420 nan 0.000 0.218 639 P C 1.228 178.546 177.300 0.030 0.000 1.151 639 P CA 0.953 64.068 63.100 0.024 0.000 0.850 639 P CB 0.363 32.064 31.700 0.003 0.000 0.801 640 Q N 0.182 119.996 119.800 0.022 0.000 2.050 640 Q HA -0.062 4.277 4.340 -0.000 0.000 0.202 640 Q C 2.398 178.424 176.000 0.044 0.000 0.980 640 Q CA 1.301 57.118 55.803 0.023 0.000 0.840 640 Q CB -1.196 27.551 28.738 0.015 0.000 0.898 640 Q HN 0.112 nan 8.270 nan 0.000 0.424 641 V N 0.503 120.444 119.914 0.045 0.000 2.332 641 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 641 V C 2.534 178.675 176.094 0.080 0.000 1.055 641 V CA 1.793 64.125 62.300 0.053 0.000 1.038 641 V CB -0.837 31.013 31.823 0.044 0.000 0.651 641 V HN 0.487 nan 8.190 nan 0.000 0.450 642 C N 0.388 119.747 119.300 0.099 0.000 2.457 642 C HA 0.052 4.512 4.460 -0.000 0.000 0.278 642 C C 3.073 178.233 174.990 0.284 0.000 1.309 642 C CA 0.556 59.671 59.018 0.161 0.000 1.735 642 C CB -1.201 26.643 27.740 0.173 0.000 1.992 642 C HN 0.571 nan 8.230 nan 0.000 0.493 643 A N 0.119 123.053 122.820 0.190 0.000 1.933 643 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 643 A C 2.286 179.995 177.584 0.209 0.000 1.175 643 A CA 1.969 54.103 52.037 0.161 0.000 0.628 643 A CB -0.679 18.337 19.000 0.027 0.000 0.814 643 A HN 0.747 nan 8.150 nan 0.000 0.444 644 K N -0.980 119.508 120.400 0.146 0.000 2.057 644 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 644 K C 1.896 178.583 176.600 0.144 0.000 1.049 644 K CA 1.251 57.608 56.287 0.118 0.000 0.931 644 K CB -0.299 32.245 32.500 0.074 0.000 0.714 644 K HN 0.366 nan 8.250 nan 0.000 0.440 645 L N 0.894 122.202 121.223 0.141 0.000 1.978 645 L HA -0.227 4.113 4.340 -0.000 0.000 0.218 645 L C 1.759 178.666 176.870 0.061 0.000 1.075 645 L CA 1.844 56.720 54.840 0.060 0.000 0.767 645 L CB -0.792 41.251 42.059 -0.027 0.000 0.890 645 L HN 0.108 nan 8.230 nan 0.000 0.434 646 F N 0.163 120.130 119.950 0.027 0.000 2.045 646 F HA -0.242 4.284 4.527 -0.000 0.000 0.297 646 F C 2.511 178.335 175.800 0.041 0.000 1.114 646 F CA 1.940 59.959 58.000 0.033 0.000 1.207 646 F CB -1.644 37.379 39.000 0.038 0.000 0.964 646 F HN 0.250 nan 8.300 nan 0.000 0.486 647 G N 0.291 109.249 108.800 0.263 0.000 2.764 647 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.219 647 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.219 647 G C 1.588 176.565 174.900 0.128 0.000 1.259 647 G CA 1.510 46.706 45.100 0.160 0.000 0.793 647 G HN 0.324 nan 8.290 nan 0.000 0.633 648 N N 1.006 119.767 118.700 0.101 0.000 2.002 648 N HA -0.156 4.584 4.740 -0.000 0.000 0.199 648 N C 2.293 177.851 175.510 0.080 0.000 1.060 648 N CA 1.541 54.644 53.050 0.089 0.000 0.867 648 N CB -0.868 37.659 38.487 0.067 0.000 1.069 648 N HN 0.428 nan 8.380 nan 0.000 0.430 649 I N 1.805 122.396 120.570 0.035 0.000 2.181 649 I HA -0.434 3.736 4.170 -0.000 0.000 0.240 649 I C 2.558 178.693 176.117 0.031 0.000 1.006 649 I CA 1.736 63.035 61.300 -0.000 0.000 1.284 649 I CB -0.505 37.461 38.000 -0.057 0.000 0.990 649 I HN 0.314 nan 8.210 nan 0.000 0.408 650 Q N 0.546 120.387 119.800 0.068 0.000 1.985 650 Q HA -0.267 4.072 4.340 -0.000 0.000 0.207 650 Q C 2.223 178.294 176.000 0.118 0.000 0.996 650 Q CA 1.860 57.720 55.803 0.094 0.000 0.851 650 Q CB -0.326 28.492 28.738 0.133 0.000 0.921 650 Q HN 0.521 nan 8.270 nan 0.000 0.418 651 K N 0.295 120.803 120.400 0.180 0.000 2.032 651 K HA -0.219 4.101 4.320 -0.000 0.000 0.218 651 K C 2.215 178.919 176.600 0.174 0.000 1.054 651 K CA 1.974 58.444 56.287 0.306 0.000 0.941 651 K CB -0.636 32.118 32.500 0.423 0.000 0.720 651 K HN 0.026 nan 8.250 nan 0.000 0.449 652 V N 1.310 121.307 119.914 0.138 0.000 2.215 652 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 652 V C 2.410 178.528 176.094 0.041 0.000 1.047 652 V CA 1.949 64.290 62.300 0.069 0.000 0.999 652 V CB -0.570 31.271 31.823 0.029 0.000 0.635 652 V HN 0.147 nan 8.190 nan 0.000 0.450 653 V N 0.833 120.756 119.914 0.015 0.000 2.222 653 V HA -0.389 3.731 4.120 -0.000 0.000 0.252 653 V C 2.353 178.489 176.094 0.070 0.000 1.060 653 V CA 2.623 64.937 62.300 0.022 0.000 1.027 653 V CB -1.089 30.729 31.823 -0.009 0.000 0.644 653 V HN 0.628 nan 8.190 nan 0.000 0.448 654 N N -0.276 118.446 118.700 0.037 0.000 2.036 654 N HA -0.269 4.471 4.740 -0.000 0.000 0.199 654 N C 1.731 177.179 175.510 -0.104 0.000 1.036 654 N CA 2.304 55.356 53.050 0.003 0.000 0.870 654 N CB -0.771 37.740 38.487 0.040 0.000 1.055 654 N HN 0.555 nan 8.380 nan 0.000 0.436 655 F N 0.367 120.082 119.950 -0.392 0.000 2.154 655 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 655 F C 2.315 177.782 175.800 -0.554 0.000 1.087 655 F CA 1.333 58.921 58.000 -0.687 0.000 1.274 655 F CB -0.533 37.727 39.000 -1.233 0.000 1.009 655 F HN 0.213 nan 8.300 nan 0.000 0.485 656 W N 0.606 121.504 121.300 -0.671 0.000 2.463 656 W HA -0.115 4.545 4.660 -0.000 0.000 0.316 656 W C 2.146 178.380 176.519 -0.475 0.000 1.170 656 W CA 1.475 58.433 57.345 -0.645 0.000 1.355 656 W CB -0.847 28.413 29.460 -0.333 0.000 1.159 656 W HN 0.047 nan 8.180 nan 0.000 0.487 657 L N 1.457 122.681 121.223 0.003 0.000 2.263 657 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 657 L C 2.120 178.801 176.870 -0.314 0.000 1.111 657 L CA 1.980 56.712 54.840 -0.179 0.000 0.773 657 L CB -1.375 40.742 42.059 0.097 0.000 0.906 657 L HN 0.308 nan 8.230 nan 0.000 0.439 658 L N -0.860 120.141 121.223 -0.369 0.000 2.017 658 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 658 L C 2.378 179.138 176.870 -0.184 0.000 1.073 658 L CA 1.923 56.606 54.840 -0.261 0.000 0.745 658 L CB -0.916 40.974 42.059 -0.280 0.000 0.894 658 L HN 0.398 nan 8.230 nan 0.000 0.432 659 H N -1.381 117.406 119.070 -0.472 0.000 2.415 659 H HA 0.056 4.612 4.556 -0.000 0.000 0.297 659 H C 2.003 177.057 175.328 -0.456 0.000 1.048 659 H CA 1.114 56.907 56.048 -0.426 0.000 1.365 659 H CB -0.741 28.734 29.762 -0.477 0.000 1.421 659 H HN 0.422 nan 8.280 nan 0.000 0.533 660 N N 0.882 119.214 118.700 -0.613 0.000 2.519 660 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 660 N C 0.579 175.906 175.510 -0.306 0.000 1.062 660 N CA 0.804 53.461 53.050 -0.655 0.000 0.910 660 N CB 0.152 37.807 38.487 -1.386 0.000 0.958 660 N HN 0.499 nan 8.380 nan 0.000 0.445 661 G N -0.740 107.939 108.800 -0.201 0.000 2.939 661 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.278 661 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.278 661 G C -0.618 174.342 174.900 0.102 0.000 1.487 661 G CA 0.124 45.192 45.100 -0.052 0.000 0.935 661 G HN 0.446 nan 8.290 nan 0.000 0.553 662 F N -0.206 119.703 119.950 -0.069 0.000 2.767 662 F HA 0.571 5.098 4.527 -0.000 0.000 0.317 662 F C -0.123 175.666 175.800 -0.019 0.000 1.119 662 F CA 0.670 58.650 58.000 -0.034 0.000 0.971 662 F CB 1.010 39.999 39.000 -0.017 0.000 1.251 662 F HN 1.694 nan 8.300 nan 0.000 0.450 663 S N 2.044 117.066 115.700 -1.130 0.000 2.862 663 S HA 0.883 5.353 4.470 -0.000 0.000 0.300 663 S C -1.675 172.510 174.600 -0.691 0.000 1.240 663 S CA 0.158 57.958 58.200 -0.667 0.000 1.025 663 S CB 1.542 64.559 63.200 -0.305 0.000 1.340 663 S HN 1.021 nan 8.310 nan 0.000 0.544 664 T N -0.077 114.282 114.554 -0.325 0.000 2.893 664 T HA 0.697 5.046 4.350 -0.000 0.000 0.337 664 T C -0.782 173.847 174.700 -0.119 0.000 1.587 664 T CA -0.046 61.931 62.100 -0.205 0.000 1.066 664 T CB 1.326 70.116 68.868 -0.131 0.000 1.414 664 T HN 1.431 nan 8.240 nan 0.000 0.488 665 G N 0.804 109.555 108.800 -0.082 0.000 2.667 665 G HA2 0.493 4.453 3.960 -0.000 0.000 0.294 665 G HA3 0.493 4.453 3.960 -0.000 0.000 0.294 665 G C 0.655 175.534 174.900 -0.034 0.000 1.467 665 G CA -0.508 44.559 45.100 -0.054 0.000 0.852 665 G HN 0.773 nan 8.290 nan 0.000 0.521 666 I N 0.345 120.901 120.570 -0.023 0.000 2.317 666 I HA -0.285 3.885 4.170 -0.000 0.000 0.252 666 I C 2.483 178.595 176.117 -0.008 0.000 1.018 666 I CA 2.331 63.625 61.300 -0.011 0.000 1.330 666 I CB -1.338 36.657 38.000 -0.008 0.000 1.014 666 I HN 0.669 nan 8.210 nan 0.000 0.439 667 G N 0.120 108.911 108.800 -0.015 0.000 2.462 667 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 667 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 667 G C 1.305 176.202 174.900 -0.006 0.000 1.121 667 G CA 1.087 46.180 45.100 -0.011 0.000 0.758 667 G HN 0.544 nan 8.290 nan 0.000 0.559 668 D N 0.028 120.422 120.400 -0.009 0.000 2.347 668 D HA -0.054 4.586 4.640 -0.000 0.000 0.215 668 D C 2.514 178.823 176.300 0.014 0.000 0.976 668 D CA 1.421 55.422 54.000 0.002 0.000 0.884 668 D CB 0.052 40.849 40.800 -0.006 0.000 0.915 668 D HN 0.511 nan 8.370 nan 0.000 0.526 669 T N -1.558 113.003 114.554 0.012 0.000 3.086 669 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 669 T C 1.054 175.766 174.700 0.020 0.000 1.074 669 T CA -0.211 61.902 62.100 0.021 0.000 0.988 669 T CB 0.054 68.936 68.868 0.024 0.000 0.988 669 T HN -0.010 nan 8.240 nan 0.000 0.530 670 I N 1.631 122.210 120.570 0.015 0.000 2.359 670 I HA 0.714 4.884 4.170 -0.000 0.000 0.294 670 I C 0.181 176.308 176.117 0.017 0.000 0.987 670 I CA -1.472 59.836 61.300 0.014 0.000 1.225 670 I CB 1.480 39.486 38.000 0.010 0.000 1.366 670 I HN 0.060 nan 8.210 nan 0.000 0.466 671 A N 3.598 126.429 122.820 0.018 0.000 2.325 671 A HA 0.363 4.683 4.320 -0.000 0.000 0.333 671 A C -0.443 177.152 177.584 0.019 0.000 1.155 671 A CA -0.569 51.481 52.037 0.022 0.000 0.814 671 A CB 0.824 19.840 19.000 0.026 0.000 1.206 671 A HN 0.798 nan 8.150 nan 0.000 0.482 672 D N 1.570 121.982 120.400 0.021 0.000 2.923 672 D HA 0.110 4.750 4.640 -0.000 0.000 0.220 672 D C 1.692 178.002 176.300 0.016 0.000 1.099 672 D CA 1.757 55.768 54.000 0.018 0.000 0.807 672 D CB 0.462 41.274 40.800 0.020 0.000 1.155 672 D HN 0.683 nan 8.370 nan 0.000 0.524 673 G N 5.258 114.067 108.800 0.014 0.000 2.830 673 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.230 673 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.230 673 G C -0.549 174.359 174.900 0.013 0.000 1.172 673 G CA 1.146 46.254 45.100 0.012 0.000 0.764 673 G HN 0.649 nan 8.290 nan 0.000 0.640 674 P HA -0.033 nan 4.420 nan 0.000 0.217 674 P C 1.767 179.077 177.300 0.017 0.000 1.151 674 P CA 1.908 65.016 63.100 0.015 0.000 0.828 674 P CB -0.419 31.289 31.700 0.014 0.000 0.788 675 T N -0.041 114.525 114.554 0.019 0.000 2.822 675 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 675 T C 1.926 176.640 174.700 0.023 0.000 1.064 675 T CA 1.263 63.377 62.100 0.023 0.000 1.131 675 T CB -0.435 68.449 68.868 0.027 0.000 0.858 675 T HN 0.013 nan 8.240 nan 0.000 0.483 676 M N 0.569 120.181 119.600 0.020 0.000 2.073 676 M HA 0.026 4.506 4.480 -0.000 0.000 0.259 676 M C 2.485 178.796 176.300 0.019 0.000 1.079 676 M CA 1.383 56.694 55.300 0.018 0.000 1.131 676 M CB -0.985 31.623 32.600 0.015 0.000 1.316 676 M HN 0.143 nan 8.290 nan 0.000 0.415 677 R N 0.625 121.135 120.500 0.017 0.000 2.119 677 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 677 R C 1.977 178.288 176.300 0.018 0.000 1.146 677 R CA 2.249 58.359 56.100 0.017 0.000 0.962 677 R CB -0.394 29.915 30.300 0.014 0.000 0.863 677 R HN 0.476 nan 8.270 nan 0.000 0.442 678 E N 0.089 120.300 120.200 0.019 0.000 2.209 678 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 678 E C 1.833 178.448 176.600 0.024 0.000 0.993 678 E CA 1.347 57.759 56.400 0.020 0.000 0.819 678 E CB -0.038 29.675 29.700 0.022 0.000 0.745 678 E HN 0.507 nan 8.360 nan 0.000 0.477 679 I N 0.033 120.619 120.570 0.027 0.000 2.339 679 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 679 I C 2.314 178.452 176.117 0.035 0.000 1.096 679 I CA 1.020 62.340 61.300 0.033 0.000 1.408 679 I CB -0.417 37.602 38.000 0.032 0.000 1.092 679 I HN 0.058 nan 8.210 nan 0.000 0.423 680 T N 1.243 115.815 114.554 0.030 0.000 2.721 680 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 680 T C 1.547 176.266 174.700 0.030 0.000 1.038 680 T CA 1.978 64.097 62.100 0.033 0.000 1.145 680 T CB -0.453 68.431 68.868 0.026 0.000 0.858 680 T HN 0.620 nan 8.240 nan 0.000 0.459 681 E N 0.286 120.499 120.200 0.022 0.000 2.442 681 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 681 E C 1.522 178.128 176.600 0.010 0.000 1.030 681 E CA 0.595 57.004 56.400 0.014 0.000 0.869 681 E CB -0.270 29.436 29.700 0.010 0.000 0.857 681 E HN 0.270 nan 8.360 nan 0.000 0.505 682 T N 0.938 115.503 114.554 0.019 0.000 3.088 682 T HA 0.161 4.511 4.350 -0.000 0.000 0.259 682 T C 1.664 176.375 174.700 0.020 0.000 1.122 682 T CA 0.348 62.458 62.100 0.017 0.000 1.095 682 T CB 0.018 68.904 68.868 0.030 0.000 0.930 682 T HN 0.183 nan 8.240 nan 0.000 0.508 683 I N 0.910 121.501 120.570 0.035 0.000 2.499 683 I HA 0.092 4.262 4.170 -0.000 0.000 0.243 683 I C 2.924 179.043 176.117 0.003 0.000 1.085 683 I CA 0.582 61.912 61.300 0.049 0.000 1.422 683 I CB -0.566 37.499 38.000 0.108 0.000 1.165 683 I HN 0.100 nan 8.210 nan 0.000 0.440 684 A N 1.759 124.586 122.820 0.011 0.000 1.927 684 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 684 A C 2.210 179.775 177.584 -0.031 0.000 1.185 684 A CA 2.512 54.547 52.037 -0.005 0.000 0.639 684 A CB -1.007 17.996 19.000 0.006 0.000 0.820 684 A HN 0.681 nan 8.150 nan 0.000 0.451 685 E N -0.139 120.041 120.200 -0.033 0.000 2.110 685 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 685 E C 1.859 178.399 176.600 -0.099 0.000 0.988 685 E CA 1.280 57.646 56.400 -0.056 0.000 0.804 685 E CB -0.437 29.235 29.700 -0.047 0.000 0.745 685 E HN 0.483 nan 8.360 nan 0.000 0.458 686 A N 0.997 123.758 122.820 -0.097 0.000 2.066 686 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 686 A C 2.011 179.500 177.584 -0.158 0.000 1.157 686 A CA 1.118 53.066 52.037 -0.148 0.000 0.670 686 A CB -0.227 18.711 19.000 -0.104 0.000 0.804 686 A HN 0.152 nan 8.150 nan 0.000 0.453 687 K N -0.123 120.207 120.400 -0.116 0.000 2.007 687 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 687 K C 1.972 178.530 176.600 -0.070 0.000 1.047 687 K CA 1.385 57.612 56.287 -0.099 0.000 0.937 687 K CB -0.151 32.313 32.500 -0.060 0.000 0.718 687 K HN 0.318 nan 8.250 nan 0.000 0.438 688 K N 1.076 121.438 120.400 -0.064 0.000 2.147 688 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 688 K C 1.853 178.410 176.600 -0.072 0.000 1.049 688 K CA 1.026 57.284 56.287 -0.049 0.000 0.936 688 K CB 0.037 32.511 32.500 -0.043 0.000 0.722 688 K HN 0.001 nan 8.250 nan 0.000 0.446 689 K N 0.665 120.974 120.400 -0.152 0.000 2.555 689 K HA -0.053 4.267 4.320 -0.000 0.000 0.193 689 K C 1.225 177.718 176.600 -0.179 0.000 1.032 689 K CA 0.343 56.470 56.287 -0.267 0.000 1.004 689 K CB 0.376 32.557 32.500 -0.530 0.000 0.804 689 K HN -0.050 nan 8.250 nan 0.000 0.496 690 V N 0.059 119.956 119.914 -0.029 0.000 2.806 690 V HA -0.113 4.007 4.120 -0.000 0.000 0.239 690 V C 1.701 177.879 176.094 0.139 0.000 1.113 690 V CA 0.472 62.852 62.300 0.133 0.000 1.137 690 V CB -0.016 31.858 31.823 0.085 0.000 0.865 690 V HN 0.268 nan 8.190 nan 0.000 0.482 691 L N 1.188 122.454 121.223 0.072 0.000 1.997 691 L HA -0.269 4.070 4.340 -0.000 0.000 0.216 691 L C 1.877 178.795 176.870 0.079 0.000 1.074 691 L CA 2.636 57.519 54.840 0.073 0.000 0.763 691 L CB -0.984 41.095 42.059 0.033 0.000 0.890 691 L HN 0.368 nan 8.230 nan 0.000 0.434 692 D N -0.556 119.878 120.400 0.058 0.000 2.127 692 D HA -0.208 4.432 4.640 -0.000 0.000 0.190 692 D C 2.154 178.509 176.300 0.093 0.000 1.000 692 D CA 2.104 56.137 54.000 0.055 0.000 0.839 692 D CB -0.414 40.406 40.800 0.033 0.000 0.955 692 D HN 0.306 nan 8.370 nan 0.000 0.446 693 V N 0.348 120.361 119.914 0.165 0.000 2.913 693 V HA -0.150 3.970 4.120 -0.000 0.000 0.260 693 V C 2.173 178.415 176.094 0.247 0.000 1.098 693 V CA 1.569 64.007 62.300 0.230 0.000 1.121 693 V CB -0.623 31.417 31.823 0.361 0.000 0.714 693 V HN 0.244 nan 8.190 nan 0.000 0.487 694 T N -0.428 114.270 114.554 0.240 0.000 2.812 694 T HA -0.121 4.229 4.350 -0.000 0.000 0.264 694 T C 1.970 176.637 174.700 -0.055 0.000 1.042 694 T CA 1.196 63.397 62.100 0.168 0.000 1.140 694 T CB -0.075 68.926 68.868 0.221 0.000 0.870 694 T HN 0.444 nan 8.240 nan 0.000 0.445 695 K N 0.874 121.271 120.400 -0.006 0.000 2.116 695 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 695 K C 2.222 178.789 176.600 -0.054 0.000 1.052 695 K CA 0.701 56.964 56.287 -0.039 0.000 0.952 695 K CB -0.050 32.444 32.500 -0.010 0.000 0.729 695 K HN 0.359 nan 8.250 nan 0.000 0.446 696 E N 0.275 120.462 120.200 -0.021 0.000 2.510 696 E HA -0.139 4.211 4.350 -0.000 0.000 0.202 696 E C 0.949 177.511 176.600 -0.063 0.000 1.072 696 E CA 0.480 56.869 56.400 -0.018 0.000 0.883 696 E CB 0.168 29.883 29.700 0.026 0.000 0.818 696 E HN 0.307 nan 8.360 nan 0.000 0.548 697 A N -0.162 122.571 122.820 -0.145 0.000 2.211 697 A HA 0.112 4.432 4.320 -0.000 0.000 0.208 697 A C 1.457 178.882 177.584 -0.265 0.000 1.250 697 A CA -0.248 51.636 52.037 -0.256 0.000 0.935 697 A CB 0.348 19.025 19.000 -0.538 0.000 0.982 697 A HN 0.181 nan 8.150 nan 0.000 0.490 698 Q N -0.238 119.427 119.800 -0.225 0.000 2.253 698 Q HA 0.375 4.715 4.340 -0.000 0.000 0.210 698 Q C 1.028 176.960 176.000 -0.113 0.000 0.907 698 Q CA 0.384 56.077 55.803 -0.182 0.000 0.948 698 Q CB 0.184 28.830 28.738 -0.154 0.000 1.033 698 Q HN 0.617 nan 8.270 nan 0.000 0.471 699 A N 0.288 123.047 122.820 -0.102 0.000 2.242 699 A HA 0.122 4.442 4.320 -0.000 0.000 0.205 699 A C 0.832 178.380 177.584 -0.061 0.000 1.353 699 A CA 0.380 52.377 52.037 -0.066 0.000 1.005 699 A CB 0.378 19.349 19.000 -0.049 0.000 1.127 699 A HN 0.412 nan 8.150 nan 0.000 0.498 700 N N -1.749 116.904 118.700 -0.077 0.000 2.979 700 N HA -0.131 4.609 4.740 -0.000 0.000 0.234 700 N C 0.011 175.495 175.510 -0.043 0.000 0.938 700 N CA 0.978 53.991 53.050 -0.063 0.000 0.961 700 N CB -2.058 36.400 38.487 -0.048 0.000 1.089 700 N HN 0.350 nan 8.380 nan 0.000 0.576 701 L N 0.318 121.517 121.223 -0.040 0.000 2.777 701 L HA 0.231 4.571 4.340 -0.000 0.000 0.244 701 L C 0.148 177.011 176.870 -0.011 0.000 1.235 701 L CA 0.373 55.200 54.840 -0.021 0.000 1.062 701 L CB -0.286 41.763 42.059 -0.016 0.000 1.340 701 L HN 0.180 nan 8.230 nan 0.000 0.439 702 L N -0.177 121.036 121.223 -0.016 0.000 2.356 702 L HA 0.346 4.686 4.340 -0.000 0.000 0.277 702 L C 0.143 177.018 176.870 0.007 0.000 0.996 702 L CA -0.399 54.442 54.840 0.001 0.000 0.822 702 L CB 2.264 44.324 42.059 0.001 0.000 1.256 702 L HN -0.027 nan 8.230 nan 0.000 0.413 703 T N 2.892 117.456 114.554 0.017 0.000 2.784 703 T HA 0.179 4.529 4.350 -0.000 0.000 0.291 703 T C 0.505 175.222 174.700 0.027 0.000 0.942 703 T CA -0.335 61.777 62.100 0.020 0.000 1.161 703 T CB 0.687 69.569 68.868 0.023 0.000 0.885 703 T HN 0.616 nan 8.240 nan 0.000 0.534 704 A N 5.251 128.087 122.820 0.026 0.000 2.438 704 A HA 0.219 4.539 4.320 -0.000 0.000 0.280 704 A C 0.630 178.244 177.584 0.050 0.000 1.160 704 A CA -0.402 51.654 52.037 0.033 0.000 0.821 704 A CB -0.125 18.891 19.000 0.027 0.000 1.101 704 A HN 0.793 nan 8.150 nan 0.000 0.515 705 K N 2.182 122.613 120.400 0.051 0.000 2.448 705 K HA 0.020 4.340 4.320 -0.000 0.000 0.278 705 K C 0.027 176.685 176.600 0.097 0.000 1.009 705 K CA -0.129 56.201 56.287 0.071 0.000 0.995 705 K CB 0.284 32.816 32.500 0.054 0.000 0.917 705 K HN 0.810 nan 8.250 nan 0.000 0.481 706 H N 0.813 119.888 119.070 0.009 0.000 3.167 706 H HA -0.028 4.528 4.556 -0.000 0.000 0.306 706 H C 1.300 176.633 175.328 0.008 0.000 0.965 706 H CA 1.918 57.970 56.048 0.006 0.000 1.408 706 H CB 0.079 29.844 29.762 0.004 0.000 1.406 706 H HN 0.835 nan 8.280 nan 0.000 0.576 707 G N 3.612 112.195 108.800 -0.362 0.000 2.179 707 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 707 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 707 G C 0.068 174.902 174.900 -0.110 0.000 0.977 707 G CA 0.340 45.280 45.100 -0.267 0.000 0.641 707 G HN 0.630 nan 8.290 nan 0.000 0.533 708 M N 0.993 120.557 119.600 -0.061 0.000 2.395 708 M HA 0.404 4.884 4.480 -0.000 0.000 0.307 708 M C 0.382 176.677 176.300 -0.008 0.000 1.091 708 M CA -0.646 54.639 55.300 -0.024 0.000 0.919 708 M CB 2.108 34.704 32.600 -0.006 0.000 1.662 708 M HN 0.034 nan 8.290 nan 0.000 0.440 709 T N 1.899 116.453 114.554 -0.001 0.000 2.855 709 T HA 0.047 4.397 4.350 -0.000 0.000 0.322 709 T C 1.381 176.096 174.700 0.024 0.000 1.088 709 T CA -0.166 61.940 62.100 0.010 0.000 1.104 709 T CB 0.441 69.320 68.868 0.019 0.000 0.996 709 T HN 0.435 nan 8.240 nan 0.000 0.549 710 L N 1.405 122.640 121.223 0.020 0.000 2.083 710 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 710 L C 2.620 179.522 176.870 0.053 0.000 1.083 710 L CA 1.694 56.547 54.840 0.021 0.000 0.752 710 L CB -0.719 41.335 42.059 -0.009 0.000 0.899 710 L HN 0.490 nan 8.230 nan 0.000 0.433 711 R N -0.195 120.342 120.500 0.062 0.000 2.064 711 R HA -0.098 4.242 4.340 -0.000 0.000 0.228 711 R C 2.276 178.670 176.300 0.156 0.000 1.144 711 R CA 1.249 57.427 56.100 0.130 0.000 0.932 711 R CB -0.275 30.091 30.300 0.110 0.000 0.833 711 R HN 0.350 nan 8.270 nan 0.000 0.429 712 E N -0.281 119.969 120.200 0.082 0.000 2.136 712 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 712 E C 1.863 178.486 176.600 0.040 0.000 1.019 712 E CA 1.775 58.202 56.400 0.045 0.000 0.819 712 E CB -0.115 29.595 29.700 0.016 0.000 0.739 712 E HN 0.238 nan 8.360 nan 0.000 0.458 713 S N 0.070 115.805 115.700 0.059 0.000 2.481 713 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 713 S C 1.344 175.999 174.600 0.091 0.000 0.996 713 S CA 0.269 58.498 58.200 0.049 0.000 0.942 713 S CB -0.134 63.094 63.200 0.047 0.000 0.768 713 S HN 0.277 nan 8.310 nan 0.000 0.520 714 F N 3.018 122.950 119.950 -0.029 0.000 2.098 714 F HA 0.003 4.530 4.527 -0.000 0.000 0.294 714 F C 2.125 177.904 175.800 -0.034 0.000 1.107 714 F CA 1.267 59.252 58.000 -0.026 0.000 1.234 714 F CB -0.630 38.365 39.000 -0.009 0.000 1.002 714 F HN 0.083 nan 8.300 nan 0.000 0.472 715 E N 0.172 120.228 120.200 -0.240 0.000 2.023 715 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 715 E C 2.050 178.485 176.600 -0.275 0.000 1.003 715 E CA 1.474 57.660 56.400 -0.358 0.000 0.809 715 E CB -0.940 28.657 29.700 -0.172 0.000 0.755 715 E HN 0.478 nan 8.360 nan 0.000 0.449 716 D N 0.956 121.256 120.400 -0.166 0.000 2.248 716 D HA -0.221 4.419 4.640 -0.000 0.000 0.191 716 D C 1.485 177.639 176.300 -0.243 0.000 1.013 716 D CA 1.259 55.167 54.000 -0.154 0.000 0.883 716 D CB -0.055 40.688 40.800 -0.096 0.000 0.915 716 D HN 0.133 nan 8.370 nan 0.000 0.448 717 N N -0.228 118.278 118.700 -0.324 0.000 2.251 717 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 717 N C 2.194 177.257 175.510 -0.744 0.000 1.019 717 N CA 0.544 53.234 53.050 -0.600 0.000 0.862 717 N CB -0.342 37.814 38.487 -0.552 0.000 0.992 717 N HN 0.143 nan 8.380 nan 0.000 0.429 718 V N 1.892 121.519 119.914 -0.478 0.000 2.220 718 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 718 V C 2.587 178.569 176.094 -0.186 0.000 1.056 718 V CA 1.601 63.719 62.300 -0.303 0.000 1.016 718 V CB -0.876 30.677 31.823 -0.450 0.000 0.639 718 V HN 0.010 nan 8.190 nan 0.000 0.446 719 V N -0.262 119.533 119.914 -0.198 0.000 2.217 719 V HA -0.380 3.739 4.120 -0.000 0.000 0.248 719 V C 2.533 178.591 176.094 -0.061 0.000 1.050 719 V CA 2.683 64.921 62.300 -0.103 0.000 1.007 719 V CB -0.838 30.926 31.823 -0.099 0.000 0.639 719 V HN 0.459 nan 8.190 nan 0.000 0.452 720 R N -1.297 119.132 120.500 -0.118 0.000 2.267 720 R HA -0.225 4.115 4.340 -0.000 0.000 0.259 720 R C 2.181 178.516 176.300 0.059 0.000 1.192 720 R CA 1.997 58.053 56.100 -0.073 0.000 1.013 720 R CB -0.338 29.862 30.300 -0.167 0.000 0.877 720 R HN 0.606 nan 8.270 nan 0.000 0.474 721 F N -0.375 119.547 119.950 -0.047 0.000 2.123 721 F HA -0.146 4.380 4.527 -0.000 0.000 0.289 721 F C 2.252 178.013 175.800 -0.065 0.000 1.099 721 F CA 0.241 58.210 58.000 -0.052 0.000 1.234 721 F CB -0.221 38.734 39.000 -0.075 0.000 1.034 721 F HN -0.051 nan 8.300 nan 0.000 0.479 722 L N 0.342 121.622 121.223 0.095 0.000 1.990 722 L HA -0.324 4.016 4.340 -0.000 0.000 0.213 722 L C 2.125 179.067 176.870 0.121 0.000 1.072 722 L CA 1.352 56.151 54.840 -0.067 0.000 0.755 722 L CB -0.918 40.990 42.059 -0.252 0.000 0.889 722 L HN 0.148 nan 8.230 nan 0.000 0.432 723 N N -0.099 118.687 118.700 0.143 0.000 2.025 723 N HA -0.250 4.490 4.740 -0.000 0.000 0.194 723 N C 1.822 177.415 175.510 0.139 0.000 1.044 723 N CA 1.493 54.634 53.050 0.151 0.000 0.851 723 N CB -0.407 38.144 38.487 0.106 0.000 1.036 723 N HN 0.354 nan 8.380 nan 0.000 0.422 724 E N 0.256 120.535 120.200 0.132 0.000 2.208 724 E HA -0.235 4.115 4.350 -0.000 0.000 0.202 724 E C 1.601 178.270 176.600 0.115 0.000 1.014 724 E CA 1.405 57.881 56.400 0.128 0.000 0.819 724 E CB 0.001 29.796 29.700 0.158 0.000 0.735 724 E HN 0.421 nan 8.360 nan 0.000 0.469 725 A N 0.662 123.550 122.820 0.113 0.000 1.850 725 A HA -0.084 4.236 4.320 -0.000 0.000 0.212 725 A C 2.066 179.729 177.584 0.132 0.000 1.208 725 A CA 1.090 53.186 52.037 0.099 0.000 0.609 725 A CB -0.519 18.522 19.000 0.069 0.000 0.860 725 A HN 0.178 nan 8.150 nan 0.000 0.448 726 R N 0.077 120.685 120.500 0.180 0.000 2.165 726 R HA -0.285 4.055 4.340 -0.000 0.000 0.254 726 R C 1.474 177.829 176.300 0.093 0.000 1.153 726 R CA 2.546 58.737 56.100 0.152 0.000 0.971 726 R CB -0.597 29.800 30.300 0.160 0.000 0.878 726 R HN 0.576 nan 8.270 nan 0.000 0.449 727 D N -0.206 120.271 120.400 0.130 0.000 2.077 727 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 727 D C 1.775 178.224 176.300 0.249 0.000 0.983 727 D CA 1.964 56.084 54.000 0.201 0.000 0.841 727 D CB -0.204 40.735 40.800 0.231 0.000 0.992 727 D HN 0.401 nan 8.370 nan 0.000 0.450 728 K N 0.963 121.469 120.400 0.177 0.000 2.360 728 K HA -0.062 4.257 4.320 -0.000 0.000 0.201 728 K C 1.871 178.551 176.600 0.134 0.000 1.046 728 K CA 1.295 57.669 56.287 0.145 0.000 0.940 728 K CB -0.097 32.458 32.500 0.092 0.000 0.748 728 K HN 0.103 nan 8.250 nan 0.000 0.465 729 A N 1.730 124.622 122.820 0.120 0.000 1.858 729 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 729 A C 2.563 180.203 177.584 0.094 0.000 1.190 729 A CA 1.711 53.800 52.037 0.088 0.000 0.617 729 A CB -1.418 17.625 19.000 0.071 0.000 0.827 729 A HN 0.532 nan 8.150 nan 0.000 0.443 730 G N -1.164 107.695 108.800 0.098 0.000 2.408 730 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 730 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 730 G C 1.669 176.752 174.900 0.305 0.000 1.150 730 G CA 0.830 45.987 45.100 0.095 0.000 0.776 730 G HN 0.510 nan 8.290 nan 0.000 0.542 731 R N -0.317 120.435 120.500 0.420 0.000 2.261 731 R HA -0.002 4.337 4.340 -0.000 0.000 0.236 731 R C 2.322 178.717 176.300 0.158 0.000 1.141 731 R CA 0.730 57.002 56.100 0.287 0.000 1.001 731 R CB -0.208 30.179 30.300 0.145 0.000 0.866 731 R HN 0.398 nan 8.270 nan 0.000 0.468 732 L N -1.329 119.975 121.223 0.135 0.000 2.084 732 L HA -0.004 4.336 4.340 -0.000 0.000 0.202 732 L C 2.575 179.495 176.870 0.083 0.000 1.074 732 L CA 1.020 55.912 54.840 0.087 0.000 0.757 732 L CB -0.590 41.510 42.059 0.068 0.000 0.918 732 L HN 0.191 nan 8.230 nan 0.000 0.444 733 A N 0.259 123.133 122.820 0.090 0.000 1.898 733 A HA -0.254 4.065 4.320 -0.000 0.000 0.216 733 A C 2.213 179.855 177.584 0.097 0.000 1.181 733 A CA 1.746 53.829 52.037 0.076 0.000 0.620 733 A CB -0.592 18.444 19.000 0.060 0.000 0.819 733 A HN 0.491 nan 8.150 nan 0.000 0.442 734 E N -0.173 120.118 120.200 0.152 0.000 2.171 734 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 734 E C 1.285 177.946 176.600 0.102 0.000 0.997 734 E CA 1.717 58.220 56.400 0.171 0.000 0.810 734 E CB -0.083 29.783 29.700 0.276 0.000 0.738 734 E HN 0.364 nan 8.360 nan 0.000 0.467 735 V N 1.143 121.104 119.914 0.079 0.000 3.590 735 V HA -0.017 4.103 4.120 -0.000 0.000 0.265 735 V C 1.931 178.053 176.094 0.046 0.000 1.239 735 V CA 0.876 63.207 62.300 0.051 0.000 1.117 735 V CB -0.089 31.756 31.823 0.038 0.000 0.818 735 V HN 0.354 nan 8.190 nan 0.000 0.451 736 N N 0.548 119.279 118.700 0.051 0.000 2.424 736 N HA 0.066 4.806 4.740 -0.000 0.000 0.178 736 N C 0.619 176.154 175.510 0.042 0.000 1.060 736 N CA 0.127 53.202 53.050 0.042 0.000 0.901 736 N CB 0.274 38.785 38.487 0.040 0.000 0.979 736 N HN 0.378 nan 8.380 nan 0.000 0.451 737 L N 3.267 124.520 121.223 0.050 0.000 2.407 737 L HA 0.133 4.473 4.340 -0.000 0.000 0.282 737 L C 0.508 177.407 176.870 0.048 0.000 1.110 737 L CA -0.202 54.668 54.840 0.049 0.000 0.863 737 L CB 0.614 42.708 42.059 0.058 0.000 1.207 737 L HN -0.011 nan 8.230 nan 0.000 0.454 738 K N 2.068 122.494 120.400 0.042 0.000 2.339 738 K HA -0.078 4.241 4.320 -0.000 0.000 0.260 738 K C 0.105 176.735 176.600 0.050 0.000 0.989 738 K CA -0.082 56.230 56.287 0.042 0.000 0.888 738 K CB 0.460 32.982 32.500 0.036 0.000 0.983 738 K HN 0.435 nan 8.250 nan 0.000 0.515 739 D N 0.538 120.967 120.400 0.049 0.000 2.338 739 D HA 0.015 4.655 4.640 -0.000 0.000 0.239 739 D C 0.801 177.143 176.300 0.069 0.000 1.095 739 D CA 0.406 54.440 54.000 0.057 0.000 0.888 739 D CB -0.144 40.686 40.800 0.051 0.000 0.899 739 D HN 0.375 nan 8.370 nan 0.000 0.525 740 L N -2.902 118.360 121.223 0.065 0.000 2.781 740 L HA 0.327 4.667 4.340 -0.000 0.000 0.245 740 L C 0.452 177.365 176.870 0.070 0.000 1.118 740 L CA -0.472 54.411 54.840 0.071 0.000 0.918 740 L CB -0.572 41.519 42.059 0.053 0.000 1.246 740 L HN -0.272 nan 8.230 nan 0.000 0.526 741 N N 1.382 120.120 118.700 0.063 0.000 2.454 741 N HA -0.001 4.739 4.740 -0.000 0.000 0.260 741 N C 0.870 176.431 175.510 0.085 0.000 1.218 741 N CA 0.150 53.233 53.050 0.054 0.000 0.904 741 N CB 0.474 38.993 38.487 0.052 0.000 1.065 741 N HN 0.213 nan 8.380 nan 0.000 0.462 742 N N 2.802 121.538 118.700 0.060 0.000 2.062 742 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 742 N C 1.487 177.102 175.510 0.175 0.000 1.042 742 N CA 1.014 54.136 53.050 0.121 0.000 0.845 742 N CB -0.544 37.859 38.487 -0.140 0.000 1.024 742 N HN 0.307 nan 8.380 nan 0.000 0.424 743 V N 2.182 122.154 119.914 0.096 0.000 2.313 743 V HA -0.307 3.813 4.120 -0.000 0.000 0.253 743 V C 2.590 178.753 176.094 0.115 0.000 1.070 743 V CA 1.906 64.267 62.300 0.103 0.000 1.057 743 V CB -0.535 31.326 31.823 0.064 0.000 0.653 743 V HN 0.412 nan 8.190 nan 0.000 0.450 744 K N -0.722 119.741 120.400 0.105 0.000 2.025 744 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 744 K C 2.270 178.933 176.600 0.105 0.000 1.049 744 K CA 1.723 58.069 56.287 0.099 0.000 0.933 744 K CB -0.215 32.337 32.500 0.086 0.000 0.714 744 K HN 0.520 nan 8.250 nan 0.000 0.438 745 Q N -0.003 119.877 119.800 0.134 0.000 2.133 745 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 745 Q C 2.165 178.221 176.000 0.093 0.000 0.991 745 Q CA 2.346 58.227 55.803 0.130 0.000 0.867 745 Q CB -0.125 28.745 28.738 0.221 0.000 0.911 745 Q HN 0.453 nan 8.270 nan 0.000 0.417 746 M N -0.514 119.170 119.600 0.139 0.000 2.175 746 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 746 M C 2.189 178.528 176.300 0.065 0.000 1.063 746 M CA 0.944 56.299 55.300 0.092 0.000 1.119 746 M CB -0.092 32.596 32.600 0.147 0.000 1.377 746 M HN 0.084 nan 8.290 nan 0.000 0.415 747 V N 0.517 120.479 119.914 0.079 0.000 2.490 747 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 747 V C 2.318 178.444 176.094 0.052 0.000 1.061 747 V CA 1.603 63.945 62.300 0.070 0.000 1.064 747 V CB -0.640 31.236 31.823 0.088 0.000 0.670 747 V HN 0.509 nan 8.190 nan 0.000 0.461 748 M N -0.067 119.561 119.600 0.046 0.000 2.156 748 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 748 M C 2.435 178.740 176.300 0.009 0.000 1.067 748 M CA 1.940 57.257 55.300 0.028 0.000 1.131 748 M CB -0.559 32.059 32.600 0.029 0.000 1.368 748 M HN 0.375 nan 8.290 nan 0.000 0.416 749 A N -0.008 122.811 122.820 -0.001 0.000 1.933 749 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 749 A C 1.893 179.470 177.584 -0.011 0.000 1.175 749 A CA 1.673 53.697 52.037 -0.022 0.000 0.628 749 A CB -0.960 18.011 19.000 -0.049 0.000 0.814 749 A HN 0.689 nan 8.150 nan 0.000 0.444 750 G N -1.394 107.410 108.800 0.005 0.000 2.141 750 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.231 750 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.231 750 G C 1.028 175.936 174.900 0.013 0.000 0.984 750 G CA 1.125 46.233 45.100 0.013 0.000 0.660 750 G HN 1.522 nan 8.290 nan 0.000 0.525 751 S N -1.261 114.444 115.700 0.008 0.000 2.522 751 S HA 0.478 4.948 4.470 -0.000 0.000 0.227 751 S C 0.819 175.435 174.600 0.026 0.000 0.986 751 S CA 1.435 59.640 58.200 0.010 0.000 0.929 751 S CB 0.512 63.707 63.200 -0.008 0.000 0.769 751 S HN 0.498 nan 8.310 nan 0.000 0.529 752 K N -0.577 119.844 120.400 0.036 0.000 2.894 752 K HA 0.441 4.761 4.320 -0.000 0.000 0.293 752 K C -0.177 176.454 176.600 0.052 0.000 1.091 752 K CA 0.351 56.664 56.287 0.043 0.000 0.865 752 K CB 0.740 33.270 32.500 0.050 0.000 1.441 752 K HN 0.629 nan 8.250 nan 0.000 0.361 753 G N 1.109 109.938 108.800 0.048 0.000 2.870 753 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.685 753 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.685 753 G C -0.378 174.562 174.900 0.067 0.000 1.556 753 G CA 0.236 45.368 45.100 0.054 0.000 1.042 753 G HN 1.305 nan 8.290 nan 0.000 0.592 754 S N 0.836 116.582 115.700 0.076 0.000 2.732 754 S HA 0.744 5.214 4.470 -0.000 0.000 0.293 754 S C 0.889 175.581 174.600 0.154 0.000 1.159 754 S CA 0.314 58.582 58.200 0.113 0.000 0.847 754 S CB 1.528 64.793 63.200 0.109 0.000 1.169 754 S HN 1.862 nan 8.310 nan 0.000 0.501 755 F N 1.745 121.714 119.950 0.031 0.000 2.067 755 F HA -0.243 4.284 4.527 -0.000 0.000 0.295 755 F C 1.948 177.769 175.800 0.035 0.000 1.142 755 F CA 2.199 60.218 58.000 0.032 0.000 1.230 755 F CB -0.823 38.194 39.000 0.028 0.000 0.941 755 F HN 0.534 nan 8.300 nan 0.000 0.518 756 I N 1.022 121.425 120.570 -0.278 0.000 2.130 756 I HA -0.475 3.695 4.170 -0.000 0.000 0.241 756 I C 2.296 178.277 176.117 -0.227 0.000 1.023 756 I CA 2.119 63.195 61.300 -0.373 0.000 1.293 756 I CB -1.820 36.108 38.000 -0.120 0.000 1.001 756 I HN 0.369 nan 8.210 nan 0.000 0.407 757 N N 0.990 119.645 118.700 -0.076 0.000 2.027 757 N HA -0.239 4.501 4.740 -0.000 0.000 0.200 757 N C 1.940 177.436 175.510 -0.025 0.000 1.042 757 N CA 1.948 54.991 53.050 -0.012 0.000 0.871 757 N CB -0.609 37.891 38.487 0.022 0.000 1.063 757 N HN 0.414 nan 8.380 nan 0.000 0.438 758 I N 1.530 122.081 120.570 -0.032 0.000 2.087 758 I HA -0.345 3.825 4.170 -0.000 0.000 0.240 758 I C 2.493 178.570 176.117 -0.066 0.000 1.054 758 I CA 1.545 62.837 61.300 -0.014 0.000 1.311 758 I CB -0.605 37.414 38.000 0.032 0.000 1.024 758 I HN 0.122 nan 8.210 nan 0.000 0.402 759 A N 0.403 123.104 122.820 -0.199 0.000 1.849 759 A HA -0.346 3.974 4.320 -0.000 0.000 0.216 759 A C 2.231 179.722 177.584 -0.155 0.000 1.225 759 A CA 2.303 54.202 52.037 -0.230 0.000 0.653 759 A CB -1.168 17.557 19.000 -0.458 0.000 0.844 759 A HN 0.532 nan 8.150 nan 0.000 0.453 760 Q N -1.329 118.372 119.800 -0.164 0.000 2.242 760 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 760 Q C 2.210 178.168 176.000 -0.071 0.000 0.992 760 Q CA 2.066 57.770 55.803 -0.165 0.000 0.889 760 Q CB -0.334 28.373 28.738 -0.052 0.000 0.913 760 Q HN 0.769 nan 8.270 nan 0.000 0.422 761 M N -1.248 118.398 119.600 0.077 0.000 2.325 761 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 761 M C 1.945 178.276 176.300 0.052 0.000 1.094 761 M CA 0.985 56.378 55.300 0.155 0.000 1.161 761 M CB 0.355 33.032 32.600 0.128 0.000 1.358 761 M HN -0.001 nan 8.290 nan 0.000 0.446 762 S N -0.067 115.637 115.700 0.008 0.000 2.483 762 S HA 0.287 4.757 4.470 -0.000 0.000 0.221 762 S C 1.473 176.062 174.600 -0.018 0.000 1.030 762 S CA 0.466 58.667 58.200 0.002 0.000 0.925 762 S CB 0.290 63.498 63.200 0.013 0.000 0.795 762 S HN 0.443 nan 8.310 nan 0.000 0.511 763 A N 0.186 122.978 122.820 -0.046 0.000 2.392 763 A HA 0.571 4.891 4.320 -0.000 0.000 0.217 763 A C 0.475 178.009 177.584 -0.084 0.000 2.391 763 A CA 0.154 52.163 52.037 -0.046 0.000 1.329 763 A CB -0.371 18.610 19.000 -0.031 0.000 1.199 763 A HN 0.479 nan 8.150 nan 0.000 0.527 764 C N -0.362 118.869 119.300 -0.116 0.000 2.441 764 C HA 0.626 5.086 4.460 -0.000 0.000 0.318 764 C C 1.679 176.505 174.990 -0.274 0.000 1.222 764 C CA -0.309 58.606 59.018 -0.172 0.000 1.474 764 C CB 0.635 28.324 27.740 -0.084 0.000 2.125 764 C HN 0.531 nan 8.230 nan 0.000 0.479 765 V N 5.158 124.825 119.914 -0.412 0.000 2.221 765 V HA 0.335 4.455 4.120 -0.000 0.000 0.242 765 V C 1.593 177.446 176.094 -0.401 0.000 1.041 765 V CA 2.324 64.317 62.300 -0.512 0.000 0.995 765 V CB -1.179 30.228 31.823 -0.692 0.000 0.635 765 V HN 1.513 nan 8.190 nan 0.000 0.448 766 G N -0.914 107.576 108.800 -0.516 0.000 2.361 766 G HA2 0.162 4.121 3.960 -0.000 0.000 0.331 766 G HA3 0.162 4.121 3.960 -0.000 0.000 0.331 766 G C -1.205 173.470 174.900 -0.376 0.000 1.324 766 G CA -0.201 44.673 45.100 -0.378 0.000 0.984 766 G HN 0.378 nan 8.290 nan 0.000 0.586 767 Q N 0.302 120.099 119.800 -0.005 0.000 2.389 767 Q HA 0.573 4.913 4.340 -0.000 0.000 0.244 767 Q C 0.499 176.552 176.000 0.089 0.000 1.056 767 Q CA -0.188 55.722 55.803 0.178 0.000 0.908 767 Q CB 0.748 29.698 28.738 0.354 0.000 1.273 767 Q HN 0.532 nan 8.270 nan 0.000 0.471 768 Q N 1.526 121.377 119.800 0.085 0.000 2.428 768 Q HA 0.323 4.663 4.340 -0.000 0.000 0.276 768 Q C -0.765 175.261 176.000 0.044 0.000 1.059 768 Q CA 0.538 56.395 55.803 0.090 0.000 0.923 768 Q CB 0.820 29.649 28.738 0.152 0.000 1.283 768 Q HN 0.810 nan 8.270 nan 0.000 0.447 769 S N -0.515 115.195 115.700 0.016 0.000 2.570 769 S HA 0.832 5.302 4.470 -0.000 0.000 0.270 769 S C -1.508 173.072 174.600 -0.033 0.000 1.149 769 S CA -0.881 57.308 58.200 -0.018 0.000 0.837 769 S CB 1.259 64.452 63.200 -0.012 0.000 1.124 769 S HN 0.259 nan 8.310 nan 0.000 0.465 770 V N 1.617 121.501 119.914 -0.049 0.000 2.612 770 V HA 0.562 4.682 4.120 -0.000 0.000 0.301 770 V C -0.134 175.931 176.094 -0.049 0.000 1.059 770 V CA -0.654 61.616 62.300 -0.051 0.000 0.886 770 V CB 0.760 32.547 31.823 -0.060 0.000 1.007 770 V HN 1.159 nan 8.190 nan 0.000 0.426 771 E N 3.146 123.322 120.200 -0.040 0.000 2.722 771 E HA -0.315 4.035 4.350 -0.000 0.000 0.265 771 E C 1.267 177.844 176.600 -0.038 0.000 1.081 771 E CA 0.959 57.337 56.400 -0.036 0.000 0.781 771 E CB -1.215 28.462 29.700 -0.037 0.000 1.372 771 E HN 1.597 nan 8.360 nan 0.000 0.423 772 G N 0.177 108.955 108.800 -0.037 0.000 4.165 772 G HA2 -0.385 3.574 3.960 -0.000 0.000 0.211 772 G HA3 -0.385 3.574 3.960 -0.000 0.000 0.211 772 G C 0.049 174.918 174.900 -0.051 0.000 1.469 772 G CA 0.094 45.171 45.100 -0.038 0.000 0.964 772 G HN 0.223 nan 8.290 nan 0.000 0.613 773 K N 3.294 123.656 120.400 -0.064 0.000 2.472 773 K HA 0.337 4.657 4.320 -0.000 0.000 0.280 773 K C 1.090 177.627 176.600 -0.104 0.000 1.028 773 K CA 0.102 56.335 56.287 -0.090 0.000 1.045 773 K CB 0.350 32.792 32.500 -0.098 0.000 0.902 773 K HN 0.709 nan 8.250 nan 0.000 0.478 774 R N 2.303 122.732 120.500 -0.118 0.000 2.873 774 R HA -0.015 4.325 4.340 -0.000 0.000 0.267 774 R C 0.537 176.737 176.300 -0.167 0.000 1.009 774 R CA -0.596 55.432 56.100 -0.119 0.000 1.152 774 R CB -0.139 30.091 30.300 -0.116 0.000 1.047 774 R HN 0.472 nan 8.270 nan 0.000 0.470 775 I N 0.903 121.360 120.570 -0.189 0.000 3.153 775 I HA -0.241 3.929 4.170 -0.000 0.000 0.330 775 I C 1.087 177.070 176.117 -0.223 0.000 1.198 775 I CA 0.934 62.086 61.300 -0.246 0.000 1.475 775 I CB -0.780 36.909 38.000 -0.518 0.000 1.295 775 I HN 0.815 nan 8.210 nan 0.000 0.540 776 A N 7.539 130.267 122.820 -0.153 0.000 2.580 776 A HA 0.605 4.925 4.320 -0.000 0.000 0.275 776 A C -0.079 177.567 177.584 0.103 0.000 1.321 776 A CA -0.552 51.401 52.037 -0.141 0.000 0.924 776 A CB 0.518 19.452 19.000 -0.110 0.000 1.512 776 A HN 0.602 nan 8.150 nan 0.000 0.492 777 F N 0.852 120.771 119.950 -0.052 0.000 2.560 777 F HA 0.233 4.760 4.527 -0.000 0.000 0.338 777 F C 1.717 177.536 175.800 0.032 0.000 1.201 777 F CA -0.293 57.712 58.000 0.008 0.000 1.291 777 F CB 0.328 39.339 39.000 0.017 0.000 1.627 777 F HN 0.779 nan 8.300 nan 0.000 0.588 778 G N 1.571 110.472 108.800 0.168 0.000 2.408 778 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 778 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 778 G C 0.503 175.479 174.900 0.127 0.000 1.150 778 G CA 0.006 45.141 45.100 0.058 0.000 0.776 778 G HN 0.354 nan 8.290 nan 0.000 0.542 779 F N 1.081 121.060 119.950 0.047 0.000 2.438 779 F HA 0.275 4.802 4.527 -0.000 0.000 0.356 779 F C 0.625 176.397 175.800 -0.047 0.000 1.099 779 F CA -1.223 56.773 58.000 -0.007 0.000 1.185 779 F CB 1.597 40.576 39.000 -0.035 0.000 1.115 779 F HN -0.274 nan 8.300 nan 0.000 0.526 780 V N 5.811 125.823 119.914 0.163 0.000 2.832 780 V HA -0.245 3.874 4.120 -0.000 0.000 0.284 780 V C 0.263 176.302 176.094 -0.092 0.000 0.997 780 V CA 0.866 63.191 62.300 0.041 0.000 1.196 780 V CB -1.012 30.820 31.823 0.014 0.000 0.832 780 V HN 0.864 nan 8.190 nan 0.000 0.453 781 D N 3.270 123.570 120.400 -0.167 0.000 2.772 781 D HA -0.187 4.453 4.640 -0.000 0.000 0.233 781 D C 0.496 176.058 176.300 -1.230 0.000 1.143 781 D CA 1.609 55.270 54.000 -0.565 0.000 0.700 781 D CB -0.315 40.373 40.800 -0.188 0.000 1.076 781 D HN 0.996 nan 8.370 nan 0.000 0.430 782 R N -4.129 115.622 120.500 -1.249 0.000 2.780 782 R HA 0.457 4.797 4.340 -0.000 0.000 0.280 782 R C 0.277 176.586 176.300 0.015 0.000 1.016 782 R CA -0.868 54.815 56.100 -0.696 0.000 0.854 782 R CB 0.195 30.395 30.300 -0.167 0.000 1.293 782 R HN -0.203 nan 8.270 nan 0.000 0.483 783 T N 0.491 115.231 114.554 0.310 0.000 3.000 783 T HA 0.281 4.631 4.350 -0.000 0.000 0.233 783 T C 0.742 175.611 174.700 0.283 0.000 1.036 783 T CA 0.478 62.775 62.100 0.328 0.000 1.333 783 T CB -0.117 68.998 68.868 0.413 0.000 1.048 783 T HN 0.258 nan 8.240 nan 0.000 0.425 784 L N 1.676 122.981 121.223 0.136 0.000 2.331 784 L HA 0.366 4.705 4.340 -0.000 0.000 0.268 784 L C -1.537 175.376 176.870 0.072 0.000 1.015 784 L CA -2.367 52.504 54.840 0.053 0.000 0.807 784 L CB 0.904 42.665 42.059 -0.496 0.000 1.293 784 L HN 0.064 nan 8.230 nan 0.000 0.451 785 P HA -0.134 nan 4.420 nan 0.000 0.234 785 P C 0.744 178.076 177.300 0.053 0.000 1.167 785 P CA 1.232 64.254 63.100 -0.131 0.000 0.763 785 P CB -0.099 31.476 31.700 -0.209 0.000 0.835 786 H N -1.477 117.444 119.070 -0.248 0.000 2.556 786 H HA 0.189 4.744 4.556 -0.000 0.000 0.273 786 H C 0.325 175.625 175.328 -0.047 0.000 1.030 786 H CA -0.282 55.625 56.048 -0.235 0.000 1.156 786 H CB -0.403 29.141 29.762 -0.364 0.000 1.326 786 H HN 0.225 nan 8.280 nan 0.000 0.609 787 F N -0.144 119.893 119.950 0.145 0.000 2.588 787 F HA 0.277 4.804 4.527 -0.000 0.000 0.314 787 F C 0.160 175.978 175.800 0.030 0.000 1.069 787 F CA -1.433 56.625 58.000 0.097 0.000 0.931 787 F CB 1.969 41.039 39.000 0.118 0.000 1.260 787 F HN -0.168 nan 8.300 nan 0.000 0.465 788 S N 2.143 117.983 115.700 0.233 0.000 2.499 788 S HA 0.173 4.643 4.470 -0.000 0.000 0.275 788 S C -0.124 174.520 174.600 0.074 0.000 1.257 788 S CA -0.830 57.433 58.200 0.105 0.000 1.050 788 S CB 0.617 63.863 63.200 0.077 0.000 0.937 788 S HN 0.415 nan 8.310 nan 0.000 0.490 789 K N 1.889 122.298 120.400 0.014 0.000 2.544 789 K HA -0.119 4.201 4.320 -0.000 0.000 0.274 789 K C -0.068 176.538 176.600 0.010 0.000 0.962 789 K CA 0.641 56.899 56.287 -0.048 0.000 0.946 789 K CB -0.079 32.388 32.500 -0.056 0.000 0.905 789 K HN 0.639 nan 8.250 nan 0.000 0.521 790 D N 0.441 120.841 120.400 -0.000 0.000 2.701 790 D HA -0.177 4.463 4.640 -0.000 0.000 0.235 790 D C -0.769 175.754 176.300 0.371 0.000 1.155 790 D CA 0.938 55.094 54.000 0.260 0.000 0.649 790 D CB -0.651 40.268 40.800 0.198 0.000 1.050 790 D HN 0.405 nan 8.370 nan 0.000 0.425 791 D N 0.060 120.657 120.400 0.329 0.000 2.467 791 D HA 0.092 4.731 4.640 -0.000 0.000 0.220 791 D C -0.070 176.463 176.300 0.389 0.000 1.103 791 D CA -0.535 53.634 54.000 0.281 0.000 0.886 791 D CB 0.226 41.069 40.800 0.071 0.000 1.025 791 D HN 0.163 nan 8.370 nan 0.000 0.514 792 Y N 1.300 121.731 120.300 0.218 0.000 2.462 792 Y HA 0.027 4.577 4.550 -0.000 0.000 0.293 792 Y C 1.497 177.475 175.900 0.130 0.000 1.195 792 Y CA -0.342 57.889 58.100 0.217 0.000 1.276 792 Y CB -0.404 38.248 38.460 0.321 0.000 1.082 792 Y HN 0.239 nan 8.280 nan 0.000 0.514 793 S N 1.173 116.988 115.700 0.191 0.000 2.573 793 S HA 0.043 4.512 4.470 -0.000 0.000 0.277 793 S C -1.273 173.354 174.600 0.045 0.000 1.346 793 S CA -1.039 57.215 58.200 0.090 0.000 1.034 793 S CB 1.255 64.467 63.200 0.019 0.000 0.879 793 S HN 0.104 nan 8.310 nan 0.000 0.528 794 P HA -0.107 nan 4.420 nan 0.000 0.217 794 P C 0.486 177.872 177.300 0.144 0.000 1.150 794 P CA 1.249 64.361 63.100 0.019 0.000 0.832 794 P CB -0.145 31.471 31.700 -0.141 0.000 0.787 795 E N -0.336 119.933 120.200 0.115 0.000 2.520 795 E HA -0.012 4.338 4.350 -0.000 0.000 0.201 795 E C 1.723 178.431 176.600 0.180 0.000 1.122 795 E CA 0.527 57.035 56.400 0.179 0.000 0.896 795 E CB -0.528 29.228 29.700 0.094 0.000 0.891 795 E HN 0.247 nan 8.360 nan 0.000 0.533 796 S N -0.908 114.875 115.700 0.138 0.000 2.648 796 S HA 0.102 4.572 4.470 -0.000 0.000 0.270 796 S C 1.237 175.978 174.600 0.235 0.000 1.082 796 S CA -0.354 57.978 58.200 0.220 0.000 1.116 796 S CB 0.280 63.327 63.200 -0.256 0.000 1.040 796 S HN -0.077 nan 8.310 nan 0.000 0.572 797 K N 1.537 121.987 120.400 0.084 0.000 2.404 797 K HA 0.327 4.647 4.320 -0.000 0.000 0.194 797 K C 0.775 177.294 176.600 -0.135 0.000 1.023 797 K CA 0.726 56.968 56.287 -0.076 0.000 1.094 797 K CB 0.437 32.877 32.500 -0.100 0.000 0.841 797 K HN 0.566 nan 8.250 nan 0.000 0.523 798 G N 1.942 110.750 108.800 0.013 0.000 2.427 798 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.193 798 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.193 798 G C -0.792 174.307 174.900 0.331 0.000 1.086 798 G CA -0.629 44.568 45.100 0.162 0.000 0.818 798 G HN 0.212 nan 8.290 nan 0.000 0.490 799 F N 1.242 121.323 119.950 0.218 0.000 2.444 799 F HA 0.682 5.209 4.527 -0.000 0.000 0.342 799 F C -0.041 175.835 175.800 0.127 0.000 1.121 799 F CA -1.153 56.922 58.000 0.125 0.000 0.997 799 F CB 2.031 41.078 39.000 0.079 0.000 1.130 799 F HN 0.074 nan 8.300 nan 0.000 0.454 800 V N 7.459 127.037 119.914 -0.560 0.000 2.311 800 V HA 0.146 4.266 4.120 -0.000 0.000 0.275 800 V C 0.826 176.504 176.094 -0.693 0.000 1.022 800 V CA -0.225 61.815 62.300 -0.432 0.000 0.830 800 V CB 1.048 32.666 31.823 -0.341 0.000 1.012 800 V HN 0.971 nan 8.190 nan 0.000 0.452 801 E N 4.320 124.317 120.200 -0.337 0.000 2.076 801 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 801 E C 1.014 177.531 176.600 -0.139 0.000 0.979 801 E CA 0.454 56.768 56.400 -0.143 0.000 0.807 801 E CB 0.292 30.081 29.700 0.149 0.000 0.761 801 E HN 0.758 nan 8.360 nan 0.000 0.454 802 N N 0.939 119.564 118.700 -0.124 0.000 2.260 802 N HA -0.032 4.708 4.740 -0.000 0.000 0.230 802 N C -0.076 175.315 175.510 -0.198 0.000 1.323 802 N CA 0.716 53.699 53.050 -0.112 0.000 0.897 802 N CB 0.772 39.214 38.487 -0.075 0.000 1.146 802 N HN 0.118 nan 8.380 nan 0.000 0.460 803 S N -1.368 114.237 115.700 -0.157 0.000 2.648 803 S HA 0.334 4.804 4.470 -0.000 0.000 0.305 803 S C 0.829 175.342 174.600 -0.146 0.000 1.094 803 S CA -0.782 57.296 58.200 -0.205 0.000 0.983 803 S CB 0.682 63.820 63.200 -0.104 0.000 1.101 803 S HN 0.544 nan 8.310 nan 0.000 0.514 804 Y N 0.016 120.276 120.300 -0.066 0.000 2.315 804 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 804 Y C 2.205 178.089 175.900 -0.027 0.000 1.154 804 Y CA 0.968 59.042 58.100 -0.044 0.000 1.229 804 Y CB -0.148 38.289 38.460 -0.040 0.000 0.980 804 Y HN 0.616 nan 8.280 nan 0.000 0.540 805 L N 0.537 121.830 121.223 0.116 0.000 2.017 805 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 805 L C 2.210 179.105 176.870 0.041 0.000 1.073 805 L CA 1.713 56.592 54.840 0.064 0.000 0.745 805 L CB -0.538 41.543 42.059 0.037 0.000 0.894 805 L HN 0.014 nan 8.230 nan 0.000 0.432 806 R N -0.181 120.331 120.500 0.021 0.000 2.062 806 R HA 0.259 4.599 4.340 -0.000 0.000 0.231 806 R C 0.479 176.789 176.300 0.017 0.000 1.136 806 R CA 0.768 56.873 56.100 0.009 0.000 0.948 806 R CB -0.552 29.743 30.300 -0.008 0.000 0.845 806 R HN 0.546 nan 8.270 nan 0.000 0.430 807 G N 0.140 108.954 108.800 0.023 0.000 2.906 807 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.686 807 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.686 807 G C -0.920 173.992 174.900 0.018 0.000 1.170 807 G CA -1.097 44.029 45.100 0.043 0.000 0.775 807 G HN -0.013 nan 8.290 nan 0.000 0.630 808 L N 1.087 122.338 121.223 0.047 0.000 2.468 808 L HA 0.683 5.023 4.340 -0.000 0.000 0.253 808 L C 1.838 178.733 176.870 0.042 0.000 1.237 808 L CA 0.703 55.570 54.840 0.045 0.000 0.823 808 L CB 0.430 42.566 42.059 0.128 0.000 1.124 808 L HN 1.111 nan 8.230 nan 0.000 0.504 809 T N -3.262 111.321 114.554 0.047 0.000 2.952 809 T HA 0.459 4.809 4.350 -0.000 0.000 0.286 809 T C -2.052 172.683 174.700 0.058 0.000 1.024 809 T CA -1.913 60.209 62.100 0.036 0.000 1.029 809 T CB 1.574 70.466 68.868 0.040 0.000 1.094 809 T HN 0.341 nan 8.240 nan 0.000 0.515 810 P HA -0.176 nan 4.420 nan 0.000 0.218 810 P C 1.418 178.727 177.300 0.015 0.000 1.154 810 P CA 1.450 64.591 63.100 0.067 0.000 0.872 810 P CB 0.050 31.784 31.700 0.056 0.000 0.790 811 Q N -0.493 119.232 119.800 -0.126 0.000 1.994 811 Q HA -0.140 4.200 4.340 -0.000 0.000 0.198 811 Q C 2.175 177.760 176.000 -0.691 0.000 0.976 811 Q CA 1.414 56.923 55.803 -0.491 0.000 0.828 811 Q CB -0.897 27.646 28.738 -0.325 0.000 0.894 811 Q HN 0.354 nan 8.270 nan 0.000 0.432 812 E N 0.219 120.249 120.200 -0.284 0.000 2.068 812 E HA -0.265 4.085 4.350 -0.000 0.000 0.207 812 E C 1.834 178.432 176.600 -0.003 0.000 1.032 812 E CA 1.414 57.745 56.400 -0.113 0.000 0.839 812 E CB -0.445 29.255 29.700 -0.001 0.000 0.758 812 E HN 0.247 nan 8.360 nan 0.000 0.457 813 F N 1.047 120.965 119.950 -0.055 0.000 2.063 813 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 813 F C 2.170 178.014 175.800 0.072 0.000 1.109 813 F CA 1.763 59.791 58.000 0.046 0.000 1.212 813 F CB -0.520 38.508 39.000 0.047 0.000 0.973 813 F HN -0.020 nan 8.300 nan 0.000 0.480 814 F N -0.289 119.589 119.950 -0.120 0.000 2.269 814 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 814 F C 1.896 177.701 175.800 0.009 0.000 1.082 814 F CA 1.399 59.302 58.000 -0.162 0.000 1.360 814 F CB -0.482 38.459 39.000 -0.099 0.000 1.041 814 F HN 0.035 nan 8.300 nan 0.000 0.512 815 F N -1.597 118.433 119.950 0.132 0.000 2.094 815 F HA -0.167 4.360 4.527 -0.000 0.000 0.291 815 F C 2.571 178.347 175.800 -0.039 0.000 1.109 815 F CA 0.792 58.833 58.000 0.068 0.000 1.221 815 F CB -0.995 38.087 39.000 0.136 0.000 1.014 815 F HN -0.055 nan 8.300 nan 0.000 0.473 816 H N 0.971 120.085 119.070 0.073 0.000 2.437 816 H HA -0.233 4.323 4.556 -0.000 0.000 0.296 816 H C 1.855 177.088 175.328 -0.158 0.000 1.121 816 H CA 1.277 57.301 56.048 -0.039 0.000 1.255 816 H CB -0.395 29.342 29.762 -0.041 0.000 1.366 816 H HN 0.249 nan 8.280 nan 0.000 0.512 817 A N 0.352 122.964 122.820 -0.346 0.000 1.821 817 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 817 A C 2.598 179.944 177.584 -0.397 0.000 1.214 817 A CA 1.832 53.553 52.037 -0.527 0.000 0.608 817 A CB -0.954 17.591 19.000 -0.759 0.000 0.862 817 A HN 0.488 nan 8.150 nan 0.000 0.448 818 M N -0.259 119.102 119.600 -0.398 0.000 2.128 818 M HA -0.232 4.248 4.480 -0.000 0.000 0.253 818 M C 2.149 178.349 176.300 -0.167 0.000 1.079 818 M CA 1.831 56.974 55.300 -0.261 0.000 1.082 818 M CB -0.825 31.687 32.600 -0.146 0.000 1.335 818 M HN 0.555 nan 8.290 nan 0.000 0.401 819 G N -0.574 108.153 108.800 -0.122 0.000 2.402 819 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.216 819 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.216 819 G C 1.495 176.318 174.900 -0.129 0.000 1.162 819 G CA 0.868 45.919 45.100 -0.083 0.000 0.777 819 G HN 0.573 nan 8.290 nan 0.000 0.539 820 G N 1.034 109.694 108.800 -0.233 0.000 2.434 820 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 820 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 820 G C 1.814 176.599 174.900 -0.191 0.000 1.202 820 G CA 1.200 46.141 45.100 -0.265 0.000 0.788 820 G HN 0.499 nan 8.290 nan 0.000 0.539 821 R N 1.033 121.407 120.500 -0.210 0.000 2.198 821 R HA -0.182 4.158 4.340 -0.000 0.000 0.258 821 R C 2.138 178.368 176.300 -0.118 0.000 1.173 821 R CA 2.282 58.284 56.100 -0.163 0.000 0.991 821 R CB -0.720 29.472 30.300 -0.181 0.000 0.879 821 R HN 0.558 nan 8.270 nan 0.000 0.460 822 E N -0.925 119.210 120.200 -0.108 0.000 2.051 822 E HA -0.135 4.214 4.350 -0.000 0.000 0.192 822 E C 1.805 178.365 176.600 -0.066 0.000 0.991 822 E CA 1.323 57.676 56.400 -0.077 0.000 0.799 822 E CB -0.493 29.167 29.700 -0.066 0.000 0.748 822 E HN 0.557 nan 8.360 nan 0.000 0.449 823 G N 1.812 110.570 108.800 -0.070 0.000 2.587 823 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 823 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 823 G C 1.592 176.459 174.900 -0.055 0.000 1.240 823 G CA 1.153 46.220 45.100 -0.056 0.000 0.794 823 G HN 0.271 nan 8.290 nan 0.000 0.580 824 L N 0.132 121.315 121.223 -0.067 0.000 2.171 824 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 824 L C 2.777 179.617 176.870 -0.050 0.000 1.084 824 L CA 0.771 55.575 54.840 -0.060 0.000 0.771 824 L CB -0.441 41.574 42.059 -0.073 0.000 0.890 824 L HN 0.298 nan 8.230 nan 0.000 0.437 825 I N 0.131 120.670 120.570 -0.053 0.000 2.186 825 I HA -0.265 3.905 4.170 -0.000 0.000 0.228 825 I C 2.257 178.353 176.117 -0.035 0.000 1.062 825 I CA 1.477 62.751 61.300 -0.044 0.000 1.347 825 I CB -0.482 37.490 38.000 -0.046 0.000 1.122 825 I HN 0.342 nan 8.210 nan 0.000 0.402 826 D N 0.076 120.456 120.400 -0.033 0.000 2.191 826 D HA -0.259 4.381 4.640 -0.000 0.000 0.195 826 D C 1.823 178.109 176.300 -0.024 0.000 1.003 826 D CA 2.114 56.099 54.000 -0.026 0.000 0.867 826 D CB -1.196 39.589 40.800 -0.025 0.000 0.926 826 D HN 0.209 nan 8.370 nan 0.000 0.450 827 T N -0.394 114.144 114.554 -0.027 0.000 2.685 827 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 827 T C 1.715 176.402 174.700 -0.021 0.000 1.034 827 T CA 2.130 64.215 62.100 -0.025 0.000 1.149 827 T CB -0.555 68.296 68.868 -0.029 0.000 0.860 827 T HN 0.490 nan 8.240 nan 0.000 0.449 828 A N -0.205 122.602 122.820 -0.023 0.000 2.327 828 A HA 0.437 4.757 4.320 -0.000 0.000 0.228 828 A C 1.694 179.269 177.584 -0.016 0.000 1.275 828 A CA 0.062 52.088 52.037 -0.019 0.000 0.875 828 A CB 0.082 19.070 19.000 -0.022 0.000 0.925 828 A HN 0.376 nan 8.150 nan 0.000 0.493 829 V N -1.766 118.139 119.914 -0.014 0.000 3.103 829 V HA 0.056 4.176 4.120 -0.000 0.000 0.229 829 V C 1.953 178.045 176.094 -0.004 0.000 1.304 829 V CA 0.936 63.230 62.300 -0.010 0.000 1.298 829 V CB -0.076 31.740 31.823 -0.012 0.000 1.093 829 V HN 0.312 nan 8.190 nan 0.000 0.489 830 K N 0.419 120.814 120.400 -0.008 0.000 2.280 830 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 830 K C 2.092 178.689 176.600 -0.005 0.000 1.047 830 K CA 1.683 57.966 56.287 -0.006 0.000 0.942 830 K CB -0.321 32.172 32.500 -0.012 0.000 0.739 830 K HN 0.425 nan 8.250 nan 0.000 0.457 831 T N -1.277 113.273 114.554 -0.007 0.000 3.009 831 T HA 0.143 4.493 4.350 -0.000 0.000 0.258 831 T C 1.563 176.265 174.700 0.003 0.000 1.063 831 T CA 0.921 63.017 62.100 -0.007 0.000 1.139 831 T CB 0.014 68.876 68.868 -0.011 0.000 0.890 831 T HN 0.242 nan 8.240 nan 0.000 0.471 832 A N 0.596 123.420 122.820 0.007 0.000 1.903 832 A HA 0.153 4.473 4.320 -0.000 0.000 0.213 832 A C 2.096 179.705 177.584 0.042 0.000 1.185 832 A CA 1.405 53.452 52.037 0.018 0.000 0.628 832 A CB -0.560 18.443 19.000 0.005 0.000 0.830 832 A HN 0.584 nan 8.150 nan 0.000 0.446 833 E N -0.537 119.686 120.200 0.038 0.000 2.038 833 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 833 E C 2.009 178.660 176.600 0.086 0.000 1.000 833 E CA 1.800 58.242 56.400 0.068 0.000 0.803 833 E CB -0.201 29.528 29.700 0.047 0.000 0.750 833 E HN 0.513 nan 8.360 nan 0.000 0.448 834 T N -0.195 114.384 114.554 0.042 0.000 2.649 834 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 834 T C 1.652 176.368 174.700 0.027 0.000 1.036 834 T CA 1.458 63.570 62.100 0.020 0.000 1.157 834 T CB -0.882 67.983 68.868 -0.006 0.000 0.861 834 T HN 0.479 nan 8.240 nan 0.000 0.445 835 G N -0.130 108.694 108.800 0.040 0.000 2.491 835 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 835 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 835 G C 1.349 176.302 174.900 0.089 0.000 1.180 835 G CA 1.219 46.346 45.100 0.046 0.000 0.774 835 G HN 0.538 nan 8.290 nan 0.000 0.562 836 Y N 1.429 121.730 120.300 0.002 0.000 2.097 836 Y HA -0.127 4.423 4.550 -0.000 0.000 0.282 836 Y C 2.723 178.632 175.900 0.016 0.000 1.152 836 Y CA 1.353 59.466 58.100 0.023 0.000 1.136 836 Y CB -0.493 37.989 38.460 0.037 0.000 0.975 836 Y HN 0.206 nan 8.280 nan 0.000 0.498 837 I N 0.115 120.666 120.570 -0.031 0.000 2.113 837 I HA -0.427 3.743 4.170 -0.000 0.000 0.242 837 I C 2.698 178.720 176.117 -0.157 0.000 1.064 837 I CA 1.965 63.192 61.300 -0.122 0.000 1.320 837 I CB -0.602 37.380 38.000 -0.030 0.000 1.028 837 I HN 0.374 nan 8.210 nan 0.000 0.406 838 Q N 1.096 120.832 119.800 -0.107 0.000 2.030 838 Q HA -0.273 4.066 4.340 -0.000 0.000 0.204 838 Q C 2.382 178.288 176.000 -0.157 0.000 0.986 838 Q CA 1.853 57.585 55.803 -0.120 0.000 0.843 838 Q CB -0.282 28.402 28.738 -0.091 0.000 0.904 838 Q HN 0.422 nan 8.270 nan 0.000 0.420 839 R N 0.077 120.488 120.500 -0.149 0.000 2.080 839 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 839 R C 2.423 178.544 176.300 -0.298 0.000 1.137 839 R CA 1.645 57.641 56.100 -0.173 0.000 0.943 839 R CB -0.096 30.151 30.300 -0.087 0.000 0.846 839 R HN 0.197 nan 8.270 nan 0.000 0.431 840 R N 0.455 120.716 120.500 -0.399 0.000 2.132 840 R HA -0.172 4.168 4.340 -0.000 0.000 0.233 840 R C 2.496 178.565 176.300 -0.385 0.000 1.125 840 R CA 2.125 57.951 56.100 -0.456 0.000 0.914 840 R CB -0.860 29.206 30.300 -0.389 0.000 0.845 840 R HN 0.223 nan 8.270 nan 0.000 0.431 841 L N 0.274 121.324 121.223 -0.288 0.000 2.082 841 L HA -0.361 3.979 4.340 -0.000 0.000 0.223 841 L C 2.378 179.069 176.870 -0.299 0.000 1.086 841 L CA 1.581 56.265 54.840 -0.259 0.000 0.793 841 L CB -0.675 41.274 42.059 -0.184 0.000 0.896 841 L HN 0.153 nan 8.230 nan 0.000 0.441 842 V N -0.749 119.000 119.914 -0.274 0.000 2.221 842 V HA -0.265 3.854 4.120 -0.000 0.000 0.242 842 V C 2.489 178.400 176.094 -0.305 0.000 1.041 842 V CA 1.631 63.781 62.300 -0.249 0.000 0.995 842 V CB -0.495 31.211 31.823 -0.195 0.000 0.635 842 V HN 0.363 nan 8.190 nan 0.000 0.448 843 K N 0.194 120.387 120.400 -0.346 0.000 2.189 843 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 843 K C 2.100 178.437 176.600 -0.437 0.000 1.046 843 K CA 1.805 57.884 56.287 -0.346 0.000 0.928 843 K CB -0.846 31.348 32.500 -0.510 0.000 0.720 843 K HN 0.533 nan 8.250 nan 0.000 0.458 844 A N 0.273 122.632 122.820 -0.768 0.000 2.066 844 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 844 A C 1.765 178.988 177.584 -0.602 0.000 1.157 844 A CA 0.945 52.236 52.037 -1.245 0.000 0.670 844 A CB -0.091 18.032 19.000 -1.462 0.000 0.804 844 A HN 0.272 nan 8.150 nan 0.000 0.453 845 L N -1.656 119.340 121.223 -0.379 0.000 3.135 845 L HA 0.186 4.526 4.340 -0.000 0.000 0.279 845 L C 1.274 178.041 176.870 -0.171 0.000 1.200 845 L CA -0.129 54.569 54.840 -0.236 0.000 1.016 845 L CB -0.284 41.659 42.059 -0.194 0.000 1.391 845 L HN 0.283 nan 8.230 nan 0.000 0.588 846 E N 1.960 122.059 120.200 -0.168 0.000 2.028 846 E HA -0.306 4.044 4.350 -0.000 0.000 0.217 846 E C 1.156 177.696 176.600 -0.100 0.000 1.039 846 E CA 2.162 58.490 56.400 -0.121 0.000 0.882 846 E CB -0.383 29.259 29.700 -0.096 0.000 0.794 846 E HN 0.589 nan 8.360 nan 0.000 0.488 847 D N 0.941 121.296 120.400 -0.075 0.000 2.424 847 D HA -0.179 4.461 4.640 -0.000 0.000 0.221 847 D C 0.334 176.601 176.300 -0.055 0.000 0.978 847 D CA 0.854 54.825 54.000 -0.048 0.000 0.971 847 D CB -0.674 40.114 40.800 -0.019 0.000 0.869 847 D HN 0.196 nan 8.370 nan 0.000 0.506 848 I N 0.775 121.291 120.570 -0.089 0.000 2.315 848 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 848 I C 0.468 176.486 176.117 -0.165 0.000 1.006 848 I CA -0.587 60.651 61.300 -0.104 0.000 1.265 848 I CB 0.786 38.727 38.000 -0.098 0.000 1.387 848 I HN 0.055 nan 8.210 nan 0.000 0.475 849 M N 5.236 124.693 119.600 -0.238 0.000 2.755 849 M HA 0.624 5.104 4.480 -0.000 0.000 0.273 849 M C -1.824 174.190 176.300 -0.476 0.000 1.278 849 M CA -0.865 54.228 55.300 -0.344 0.000 0.819 849 M CB 2.265 34.666 32.600 -0.332 0.000 1.694 849 M HN 0.069 nan 8.290 nan 0.000 0.460 850 V N 2.665 122.321 119.914 -0.429 0.000 2.406 850 V HA 0.371 4.491 4.120 -0.000 0.000 0.272 850 V C -0.265 175.578 176.094 -0.420 0.000 1.043 850 V CA -0.387 61.706 62.300 -0.344 0.000 0.915 850 V CB 0.615 32.309 31.823 -0.215 0.000 0.988 850 V HN 0.696 nan 8.190 nan 0.000 0.466 851 H N 3.880 122.912 119.070 -0.065 0.000 2.482 851 H HA 0.202 4.758 4.556 -0.000 0.000 0.344 851 H C 0.687 176.013 175.328 -0.003 0.000 1.151 851 H CA -0.307 55.703 56.048 -0.062 0.000 1.300 851 H CB 0.885 30.651 29.762 0.008 0.000 1.494 851 H HN 0.638 nan 8.280 nan 0.000 0.542 852 Y N 0.690 121.096 120.300 0.177 0.000 2.405 852 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 852 Y C 1.880 177.831 175.900 0.085 0.000 1.182 852 Y CA 1.221 59.385 58.100 0.106 0.000 1.312 852 Y CB 0.118 38.636 38.460 0.096 0.000 0.971 852 Y HN 0.660 nan 8.280 nan 0.000 0.560 853 D N -1.975 118.578 120.400 0.255 0.000 2.348 853 D HA -0.117 4.523 4.640 -0.000 0.000 0.211 853 D C 0.393 176.784 176.300 0.151 0.000 0.998 853 D CA 0.579 54.685 54.000 0.177 0.000 0.873 853 D CB -0.265 40.629 40.800 0.157 0.000 0.925 853 D HN 0.171 nan 8.370 nan 0.000 0.524 854 N N -1.018 117.772 118.700 0.149 0.000 2.990 854 N HA -0.153 4.587 4.740 -0.000 0.000 0.247 854 N C -0.946 174.647 175.510 0.138 0.000 1.096 854 N CA 0.927 54.050 53.050 0.121 0.000 0.797 854 N CB -1.543 37.009 38.487 0.108 0.000 1.114 854 N HN 0.399 nan 8.380 nan 0.000 0.549 855 T N -0.240 114.405 114.554 0.150 0.000 2.945 855 T HA 0.505 4.855 4.350 -0.000 0.000 0.286 855 T C -0.194 174.566 174.700 0.099 0.000 1.025 855 T CA 0.125 62.322 62.100 0.162 0.000 1.039 855 T CB 1.335 70.324 68.868 0.202 0.000 1.068 855 T HN 0.047 nan 8.240 nan 0.000 0.497 856 T N 5.002 119.591 114.554 0.059 0.000 2.788 856 T HA 0.571 4.921 4.350 -0.000 0.000 0.296 856 T C -0.155 174.546 174.700 0.002 0.000 1.009 856 T CA -0.588 61.513 62.100 0.001 0.000 0.949 856 T CB 0.431 69.313 68.868 0.023 0.000 0.946 856 T HN 0.534 nan 8.240 nan 0.000 0.453 857 R N 2.240 122.768 120.500 0.047 0.000 2.947 857 R HA 0.588 4.928 4.340 -0.000 0.000 0.253 857 R C 0.193 176.548 176.300 0.091 0.000 1.208 857 R CA -1.152 55.007 56.100 0.098 0.000 1.012 857 R CB 1.410 31.836 30.300 0.210 0.000 1.267 857 R HN 0.701 nan 8.270 nan 0.000 0.473 858 N N -1.386 117.368 118.700 0.090 0.000 3.312 858 N HA 0.151 4.891 4.740 -0.000 0.000 0.361 858 N C 0.331 175.892 175.510 0.085 0.000 1.476 858 N CA -0.599 52.487 53.050 0.060 0.000 0.669 858 N CB 0.694 39.190 38.487 0.015 0.000 1.629 858 N HN 0.410 nan 8.380 nan 0.000 0.612 859 S N -0.312 115.416 115.700 0.047 0.000 2.481 859 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 859 S C 1.832 176.446 174.600 0.023 0.000 0.996 859 S CA 0.378 58.600 58.200 0.038 0.000 0.942 859 S CB -0.534 62.685 63.200 0.031 0.000 0.768 859 S HN 0.417 nan 8.310 nan 0.000 0.520 860 L N 0.630 121.867 121.223 0.024 0.000 2.307 860 L HA 0.299 4.639 4.340 -0.000 0.000 0.211 860 L C 1.949 178.820 176.870 0.001 0.000 1.099 860 L CA 0.640 55.490 54.840 0.017 0.000 0.816 860 L CB -0.685 41.388 42.059 0.024 0.000 0.952 860 L HN 0.562 nan 8.230 nan 0.000 0.455 861 G N 0.059 108.860 108.800 0.003 0.000 2.144 861 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.218 861 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.218 861 G C -0.218 174.683 174.900 0.003 0.000 0.988 861 G CA -0.375 44.713 45.100 -0.021 0.000 0.659 861 G HN 0.318 nan 8.290 nan 0.000 0.522 862 N N 0.870 119.575 118.700 0.008 0.000 2.431 862 N HA 0.386 5.126 4.740 -0.000 0.000 0.265 862 N C 0.738 176.226 175.510 -0.037 0.000 1.184 862 N CA -0.036 53.011 53.050 -0.005 0.000 0.943 862 N CB 1.415 39.902 38.487 0.001 0.000 1.080 862 N HN 0.218 nan 8.380 nan 0.000 0.477 863 V N 3.432 123.299 119.914 -0.079 0.000 2.694 863 V HA -0.043 4.077 4.120 -0.000 0.000 0.306 863 V C 1.598 177.542 176.094 -0.249 0.000 1.054 863 V CA 0.643 62.819 62.300 -0.207 0.000 1.161 863 V CB 0.125 31.674 31.823 -0.456 0.000 0.916 863 V HN 0.636 nan 8.190 nan 0.000 0.490 864 I N 2.161 122.601 120.570 -0.217 0.000 4.244 864 I HA 0.229 4.399 4.170 -0.000 0.000 0.318 864 I C 0.562 176.571 176.117 -0.181 0.000 1.282 864 I CA 0.337 61.542 61.300 -0.159 0.000 1.276 864 I CB 0.427 38.380 38.000 -0.079 0.000 1.183 864 I HN 0.595 nan 8.210 nan 0.000 0.431 865 Q N -0.439 119.234 119.800 -0.211 0.000 2.327 865 Q HA 0.326 4.666 4.340 -0.000 0.000 0.265 865 Q C -0.588 175.335 176.000 -0.129 0.000 0.993 865 Q CA -0.414 55.314 55.803 -0.126 0.000 0.885 865 Q CB 2.436 31.189 28.738 0.025 0.000 1.379 865 Q HN 0.039 nan 8.270 nan 0.000 0.408 866 F N 0.810 120.796 119.950 0.060 0.000 2.456 866 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 866 F C 0.599 176.439 175.800 0.067 0.000 1.104 866 F CA 0.691 58.727 58.000 0.059 0.000 1.435 866 F CB 0.667 39.694 39.000 0.045 0.000 1.078 866 F HN 0.350 nan 8.300 nan 0.000 0.546 867 I N -1.118 119.589 120.570 0.229 0.000 2.563 867 I HA 0.075 4.245 4.170 -0.000 0.000 0.285 867 I C -0.921 175.287 176.117 0.153 0.000 1.123 867 I CA -1.142 60.258 61.300 0.167 0.000 1.059 867 I CB 0.756 38.831 38.000 0.124 0.000 1.229 867 I HN -0.152 nan 8.210 nan 0.000 0.442 868 Y N 7.250 127.569 120.300 0.031 0.000 2.867 868 Y HA 0.221 4.771 4.550 -0.000 0.000 0.367 868 Y C 1.407 177.318 175.900 0.018 0.000 1.310 868 Y CA 1.170 59.275 58.100 0.009 0.000 1.655 868 Y CB -0.278 38.177 38.460 -0.010 0.000 1.181 868 Y HN 0.921 nan 8.280 nan 0.000 0.533 869 G N 4.460 113.106 108.800 -0.258 0.000 2.153 869 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.252 869 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.252 869 G C 0.254 175.096 174.900 -0.096 0.000 0.994 869 G CA 0.288 45.198 45.100 -0.317 0.000 0.698 869 G HN 0.934 nan 8.290 nan 0.000 0.521 870 E N -1.154 119.037 120.200 -0.016 0.000 2.513 870 E HA -0.242 4.108 4.350 -0.000 0.000 0.257 870 E C 0.833 177.415 176.600 -0.029 0.000 1.098 870 E CA 1.197 57.604 56.400 0.011 0.000 0.752 870 E CB -0.847 28.866 29.700 0.021 0.000 1.324 870 E HN 1.006 nan 8.360 nan 0.000 0.403 871 D N -2.932 117.442 120.400 -0.043 0.000 2.285 871 D HA -0.003 4.637 4.640 -0.000 0.000 0.628 871 D C 1.003 177.274 176.300 -0.048 0.000 0.853 871 D CA 0.582 54.554 54.000 -0.047 0.000 1.175 871 D CB -0.782 39.965 40.800 -0.087 0.000 1.489 871 D HN 0.481 nan 8.370 nan 0.000 0.376 872 G N 1.280 110.059 108.800 -0.036 0.000 2.187 872 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.261 872 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.261 872 G C -0.000 174.879 174.900 -0.034 0.000 1.000 872 G CA 1.008 46.119 45.100 0.017 0.000 0.718 872 G HN 0.409 nan 8.290 nan 0.000 0.519 873 M N 0.702 120.236 119.600 -0.110 0.000 2.318 873 M HA 0.483 4.963 4.480 -0.000 0.000 0.347 873 M C -0.066 176.231 176.300 -0.005 0.000 1.175 873 M CA -1.606 53.612 55.300 -0.136 0.000 1.075 873 M CB 1.463 33.934 32.600 -0.216 0.000 1.614 873 M HN 0.151 nan 8.290 nan 0.000 0.456 874 D N 2.575 123.023 120.400 0.081 0.000 2.325 874 D HA 0.370 5.010 4.640 -0.000 0.000 0.251 874 D C 0.963 177.372 176.300 0.182 0.000 1.196 874 D CA 0.331 54.467 54.000 0.227 0.000 0.866 874 D CB 1.035 42.017 40.800 0.304 0.000 1.101 874 D HN 0.709 nan 8.370 nan 0.000 0.476 875 A N 4.758 127.666 122.820 0.146 0.000 1.957 875 A HA -0.313 4.007 4.320 -0.000 0.000 0.224 875 A C 2.216 179.833 177.584 0.055 0.000 1.287 875 A CA 2.936 55.014 52.037 0.068 0.000 0.682 875 A CB -1.216 17.835 19.000 0.085 0.000 0.833 875 A HN 0.792 nan 8.150 nan 0.000 0.482 876 A N -1.175 121.668 122.820 0.038 0.000 1.927 876 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 876 A C 1.396 178.888 177.584 -0.153 0.000 1.185 876 A CA 1.463 53.442 52.037 -0.098 0.000 0.639 876 A CB -0.880 17.987 19.000 -0.223 0.000 0.820 876 A HN 0.751 nan 8.150 nan 0.000 0.451 877 H N -0.490 118.592 119.070 0.019 0.000 2.680 877 H HA 0.522 5.078 4.556 -0.000 0.000 0.224 877 H C -0.859 174.458 175.328 -0.018 0.000 1.866 877 H CA 0.105 56.149 56.048 -0.007 0.000 1.302 877 H CB -0.567 29.158 29.762 -0.062 0.000 1.709 877 H HN 0.362 nan 8.280 nan 0.000 0.537 878 I N 1.146 121.782 120.570 0.111 0.000 2.787 878 I HA 0.228 4.397 4.170 -0.000 0.000 0.294 878 I C -0.765 175.449 176.117 0.161 0.000 1.365 878 I CA -0.733 60.627 61.300 0.100 0.000 1.029 878 I CB 2.883 40.929 38.000 0.078 0.000 1.313 878 I HN 0.228 nan 8.210 nan 0.000 0.431 879 E N 3.660 123.946 120.200 0.145 0.000 2.383 879 E HA 0.388 4.738 4.350 -0.000 0.000 0.275 879 E C -1.442 175.235 176.600 0.129 0.000 0.918 879 E CA -1.213 55.292 56.400 0.174 0.000 0.764 879 E CB 2.694 32.477 29.700 0.139 0.000 1.252 879 E HN 0.365 nan 8.360 nan 0.000 0.449 880 K N 2.505 122.973 120.400 0.114 0.000 2.307 880 K HA 0.044 4.364 4.320 -0.000 0.000 0.285 880 K C -0.117 176.505 176.600 0.037 0.000 1.073 880 K CA 0.327 56.645 56.287 0.051 0.000 0.996 880 K CB 0.286 32.784 32.500 -0.003 0.000 0.994 880 K HN 0.327 nan 8.250 nan 0.000 0.452 881 Q N 0.591 120.423 119.800 0.052 0.000 2.207 881 Q HA 0.334 4.674 4.340 -0.000 0.000 0.237 881 Q C -0.311 175.701 176.000 0.020 0.000 0.998 881 Q CA -0.823 55.010 55.803 0.049 0.000 0.951 881 Q CB 1.858 30.648 28.738 0.087 0.000 1.213 881 Q HN 0.594 nan 8.270 nan 0.000 0.499 882 S N -0.159 115.554 115.700 0.022 0.000 2.561 882 S HA 0.453 4.923 4.470 -0.000 0.000 0.303 882 S C -0.367 174.251 174.600 0.028 0.000 1.110 882 S CA -0.818 57.384 58.200 0.004 0.000 1.034 882 S CB 0.441 63.631 63.200 -0.016 0.000 1.010 882 S HN 0.497 nan 8.310 nan 0.000 0.482 883 L N 3.649 124.887 121.223 0.024 0.000 2.384 883 L HA 0.204 4.544 4.340 -0.000 0.000 0.258 883 L C 0.795 177.683 176.870 0.030 0.000 1.266 883 L CA -0.472 54.382 54.840 0.023 0.000 1.162 883 L CB -0.555 41.498 42.059 -0.009 0.000 1.375 883 L HN 0.763 nan 8.230 nan 0.000 0.420 884 D N 0.504 120.941 120.400 0.062 0.000 2.218 884 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 884 D C 1.709 178.059 176.300 0.083 0.000 1.007 884 D CA 1.792 55.848 54.000 0.093 0.000 0.879 884 D CB 0.098 41.000 40.800 0.169 0.000 0.918 884 D HN 0.478 nan 8.370 nan 0.000 0.449 885 T N 0.968 115.550 114.554 0.046 0.000 2.897 885 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 885 T C 2.039 176.753 174.700 0.023 0.000 1.084 885 T CA 0.351 62.454 62.100 0.004 0.000 1.123 885 T CB 0.099 68.955 68.868 -0.019 0.000 0.865 885 T HN 0.234 nan 8.240 nan 0.000 0.496 886 I N 0.263 120.842 120.570 0.014 0.000 2.315 886 I HA 0.106 4.276 4.170 -0.000 0.000 0.233 886 I C 2.005 178.129 176.117 0.013 0.000 1.067 886 I CA 0.440 61.742 61.300 0.003 0.000 1.376 886 I CB -0.894 37.092 38.000 -0.023 0.000 1.143 886 I HN 0.263 nan 8.210 nan 0.000 0.421 887 G N -0.172 108.613 108.800 -0.025 0.000 2.647 887 G HA2 0.369 4.328 3.960 -0.000 0.000 0.271 887 G HA3 0.369 4.328 3.960 -0.000 0.000 0.271 887 G C 0.009 174.959 174.900 0.083 0.000 1.300 887 G CA 0.466 45.562 45.100 -0.007 0.000 0.997 887 G HN 0.754 nan 8.290 nan 0.000 0.533 888 G N -1.851 107.012 108.800 0.106 0.000 2.721 888 G HA2 0.303 4.263 3.960 -0.000 0.000 0.686 888 G HA3 0.303 4.263 3.960 -0.000 0.000 0.686 888 G C 0.094 175.070 174.900 0.126 0.000 1.236 888 G CA 0.235 45.406 45.100 0.119 0.000 0.786 888 G HN 1.983 nan 8.290 nan 0.000 0.616 889 S N 0.708 116.475 115.700 0.111 0.000 2.572 889 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 889 S C 1.087 175.752 174.600 0.108 0.000 1.341 889 S CA 0.438 58.693 58.200 0.091 0.000 1.043 889 S CB 1.686 64.932 63.200 0.077 0.000 0.887 889 S HN 0.611 nan 8.310 nan 0.000 0.516 890 D N 1.935 122.375 120.400 0.067 0.000 2.228 890 D HA -0.142 4.498 4.640 -0.000 0.000 0.203 890 D C 1.992 178.386 176.300 0.156 0.000 0.988 890 D CA 1.572 55.614 54.000 0.070 0.000 0.864 890 D CB -0.303 40.510 40.800 0.021 0.000 0.928 890 D HN 0.747 nan 8.370 nan 0.000 0.469 891 A N 1.138 124.032 122.820 0.124 0.000 1.841 891 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 891 A C 2.401 180.072 177.584 0.145 0.000 1.195 891 A CA 2.017 54.127 52.037 0.122 0.000 0.611 891 A CB -0.844 18.206 19.000 0.082 0.000 0.835 891 A HN 0.222 nan 8.150 nan 0.000 0.443 892 A N -1.149 121.753 122.820 0.136 0.000 1.917 892 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 892 A C 2.059 179.755 177.584 0.187 0.000 1.182 892 A CA 1.827 53.942 52.037 0.130 0.000 0.633 892 A CB -0.864 18.206 19.000 0.118 0.000 0.819 892 A HN 0.701 nan 8.150 nan 0.000 0.448 893 F N 0.569 120.568 119.950 0.081 0.000 2.091 893 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 893 F C 2.243 178.158 175.800 0.193 0.000 1.103 893 F CA 2.416 60.468 58.000 0.087 0.000 1.228 893 F CB -0.259 38.735 39.000 -0.010 0.000 0.984 893 F HN 0.421 nan 8.300 nan 0.000 0.477 894 E N 0.184 120.578 120.200 0.323 0.000 2.017 894 E HA -0.306 4.043 4.350 -0.000 0.000 0.193 894 E C 2.257 178.900 176.600 0.071 0.000 0.997 894 E CA 1.407 57.960 56.400 0.255 0.000 0.804 894 E CB -0.316 29.512 29.700 0.213 0.000 0.757 894 E HN 0.326 nan 8.360 nan 0.000 0.448 895 K N 0.418 120.835 120.400 0.028 0.000 2.366 895 K HA -0.241 4.079 4.320 -0.000 0.000 0.202 895 K C 2.077 178.640 176.600 -0.062 0.000 1.045 895 K CA 1.390 57.648 56.287 -0.049 0.000 0.934 895 K CB 0.028 32.514 32.500 -0.023 0.000 0.746 895 K HN -0.037 nan 8.250 nan 0.000 0.470 896 R N -1.502 118.988 120.500 -0.016 0.000 2.121 896 R HA 0.023 4.363 4.340 -0.000 0.000 0.206 896 R C 1.155 177.326 176.300 -0.216 0.000 1.094 896 R CA 0.519 56.562 56.100 -0.095 0.000 1.055 896 R CB 0.202 30.505 30.300 0.004 0.000 0.964 896 R HN 0.168 nan 8.270 nan 0.000 0.473 897 Y N -0.178 119.954 120.300 -0.279 0.000 2.458 897 Y HA 0.281 4.831 4.550 -0.000 0.000 0.254 897 Y C 0.339 176.262 175.900 0.038 0.000 1.120 897 Y CA -0.332 57.633 58.100 -0.225 0.000 1.282 897 Y CB 0.206 38.347 38.460 -0.531 0.000 1.109 897 Y HN -0.145 nan 8.280 nan 0.000 0.526 898 R N 1.256 121.893 120.500 0.228 0.000 2.298 898 R HA 0.483 4.823 4.340 -0.000 0.000 0.310 898 R C -1.494 174.761 176.300 -0.075 0.000 1.068 898 R CA -0.041 56.073 56.100 0.023 0.000 0.957 898 R CB 0.300 30.483 30.300 -0.195 0.000 1.003 898 R HN -0.083 nan 8.270 nan 0.000 0.454 899 V N 4.830 124.700 119.914 -0.073 0.000 2.577 899 V HA 0.334 4.454 4.120 -0.000 0.000 0.303 899 V C -1.098 174.964 176.094 -0.055 0.000 1.042 899 V CA -0.786 61.480 62.300 -0.056 0.000 0.872 899 V CB 1.970 33.773 31.823 -0.034 0.000 0.998 899 V HN 0.799 nan 8.190 nan 0.000 0.423 900 D N 4.086 124.474 120.400 -0.020 0.000 2.505 900 D HA 0.371 5.011 4.640 -0.000 0.000 0.250 900 D C 0.435 176.735 176.300 0.001 0.000 1.164 900 D CA -0.363 53.632 54.000 -0.007 0.000 0.870 900 D CB 2.034 42.853 40.800 0.031 0.000 1.160 900 D HN 0.420 nan 8.370 nan 0.000 0.549 901 L N 3.157 124.373 121.223 -0.012 0.000 2.599 901 L HA 0.130 4.470 4.340 -0.000 0.000 0.230 901 L C 0.988 177.851 176.870 -0.013 0.000 1.141 901 L CA 0.480 55.312 54.840 -0.012 0.000 0.877 901 L CB 0.051 42.101 42.059 -0.015 0.000 1.009 901 L HN 0.331 nan 8.230 nan 0.000 0.447 902 L N 0.074 121.288 121.223 -0.016 0.000 3.047 902 L HA 0.351 4.691 4.340 -0.000 0.000 0.242 902 L C -0.391 176.460 176.870 -0.031 0.000 1.315 902 L CA -0.028 54.799 54.840 -0.023 0.000 1.042 902 L CB -0.388 41.655 42.059 -0.026 0.000 1.420 902 L HN 0.213 nan 8.230 nan 0.000 0.517 903 N N -1.202 117.485 118.700 -0.022 0.000 2.827 903 N HA 0.058 4.798 4.740 -0.000 0.000 0.248 903 N C 0.359 175.865 175.510 -0.008 0.000 1.074 903 N CA -0.202 52.828 53.050 -0.033 0.000 1.042 903 N CB 1.559 40.009 38.487 -0.062 0.000 1.684 903 N HN -0.056 nan 8.380 nan 0.000 0.542 904 T N 0.506 115.050 114.554 -0.016 0.000 3.007 904 T HA -0.045 4.304 4.350 -0.000 0.000 0.270 904 T C 0.188 174.902 174.700 0.024 0.000 1.107 904 T CA 1.038 63.137 62.100 -0.001 0.000 1.118 904 T CB -0.075 68.788 68.868 -0.009 0.000 0.889 904 T HN 0.520 nan 8.240 nan 0.000 0.506 905 D N -0.562 119.869 120.400 0.052 0.000 2.474 905 D HA 0.082 4.722 4.640 -0.000 0.000 0.213 905 D C 0.392 176.893 176.300 0.335 0.000 1.120 905 D CA 0.203 54.288 54.000 0.143 0.000 0.836 905 D CB 0.342 41.223 40.800 0.135 0.000 1.019 905 D HN 0.348 nan 8.370 nan 0.000 0.507 906 H N -0.372 118.676 119.070 -0.036 0.000 2.567 906 H HA 0.324 4.880 4.556 -0.000 0.000 0.267 906 H C -0.103 175.195 175.328 -0.050 0.000 1.148 906 H CA -0.128 55.893 56.048 -0.046 0.000 1.031 906 H CB 0.594 30.324 29.762 -0.054 0.000 1.691 906 H HN -0.173 nan 8.280 nan 0.000 0.588 907 T N 0.512 115.101 114.554 0.058 0.000 2.948 907 T HA 0.467 4.817 4.350 -0.000 0.000 0.285 907 T C 0.119 174.809 174.700 -0.016 0.000 1.019 907 T CA -0.806 61.300 62.100 0.010 0.000 1.013 907 T CB 1.171 70.042 68.868 0.004 0.000 1.117 907 T HN 0.088 nan 8.240 nan 0.000 0.533 908 L N 2.372 123.578 121.223 -0.029 0.000 2.361 908 L HA 0.278 4.618 4.340 -0.000 0.000 0.278 908 L C 0.791 177.642 176.870 -0.031 0.000 1.113 908 L CA -0.611 54.204 54.840 -0.041 0.000 0.849 908 L CB 0.111 42.140 42.059 -0.049 0.000 1.155 908 L HN 0.587 nan 8.230 nan 0.000 0.452 909 D N 6.756 127.138 120.400 -0.031 0.000 2.450 909 D HA 0.014 4.654 4.640 -0.000 0.000 0.247 909 D C -1.419 174.867 176.300 -0.023 0.000 1.162 909 D CA -1.286 52.700 54.000 -0.022 0.000 0.879 909 D CB 1.527 42.314 40.800 -0.021 0.000 1.163 909 D HN 0.363 nan 8.370 nan 0.000 0.472 910 P HA -0.128 nan 4.420 nan 0.000 0.240 910 P C 0.893 178.183 177.300 -0.017 0.000 1.186 910 P CA 0.544 63.633 63.100 -0.019 0.000 0.755 910 P CB -0.045 31.645 31.700 -0.015 0.000 0.870 911 S N -1.872 113.819 115.700 -0.016 0.000 2.528 911 S HA 0.068 4.538 4.470 -0.000 0.000 0.219 911 S C 1.667 176.259 174.600 -0.013 0.000 0.985 911 S CA -0.026 58.167 58.200 -0.012 0.000 0.914 911 S CB -0.798 62.397 63.200 -0.009 0.000 0.776 911 S HN 0.114 nan 8.310 nan 0.000 0.526 912 L N -0.340 120.870 121.223 -0.022 0.000 2.379 912 L HA 0.462 4.802 4.340 -0.000 0.000 0.190 912 L C 0.751 177.601 176.870 -0.033 0.000 1.111 912 L CA -0.197 54.627 54.840 -0.027 0.000 0.820 912 L CB -0.581 41.454 42.059 -0.040 0.000 1.046 912 L HN 0.298 nan 8.230 nan 0.000 0.485 913 L N 0.575 121.774 121.223 -0.040 0.000 2.375 913 L HA 0.140 4.480 4.340 -0.000 0.000 0.271 913 L C 1.105 177.955 176.870 -0.033 0.000 1.107 913 L CA 0.382 55.196 54.840 -0.044 0.000 0.806 913 L CB 1.019 43.047 42.059 -0.052 0.000 1.146 913 L HN 0.163 nan 8.230 nan 0.000 0.447 914 E N 1.000 121.180 120.200 -0.033 0.000 2.031 914 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 914 E C 0.849 177.435 176.600 -0.024 0.000 0.994 914 E CA 1.374 57.759 56.400 -0.025 0.000 0.800 914 E CB 0.087 29.773 29.700 -0.024 0.000 0.752 914 E HN 0.816 nan 8.360 nan 0.000 0.447 915 S N -0.397 115.286 115.700 -0.028 0.000 2.994 915 S HA 0.213 4.683 4.470 -0.000 0.000 0.247 915 S C 1.143 175.727 174.600 -0.026 0.000 1.323 915 S CA -0.151 58.034 58.200 -0.025 0.000 1.246 915 S CB 0.510 63.695 63.200 -0.026 0.000 0.994 915 S HN 0.344 nan 8.310 nan 0.000 0.484 916 G N 2.918 111.704 108.800 -0.025 0.000 2.464 916 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.214 916 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.214 916 G C 1.710 176.598 174.900 -0.020 0.000 1.218 916 G CA 0.876 45.961 45.100 -0.024 0.000 0.794 916 G HN 0.779 nan 8.290 nan 0.000 0.542 917 S N 1.559 117.249 115.700 -0.016 0.000 2.370 917 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 917 S C 2.020 176.612 174.600 -0.014 0.000 1.033 917 S CA 1.826 60.017 58.200 -0.014 0.000 1.011 917 S CB -0.512 62.681 63.200 -0.012 0.000 0.852 917 S HN 0.732 nan 8.310 nan 0.000 0.457 918 E N 0.761 120.952 120.200 -0.014 0.000 2.526 918 E HA 0.132 4.482 4.350 -0.000 0.000 0.198 918 E C 1.508 178.098 176.600 -0.015 0.000 1.091 918 E CA 0.393 56.785 56.400 -0.014 0.000 0.880 918 E CB -0.329 29.363 29.700 -0.013 0.000 0.873 918 E HN 0.658 nan 8.360 nan 0.000 0.527 919 I N 0.295 120.855 120.570 -0.017 0.000 2.947 919 I HA 0.035 4.205 4.170 -0.000 0.000 0.263 919 I C 1.168 177.276 176.117 -0.016 0.000 1.130 919 I CA -0.401 60.889 61.300 -0.018 0.000 1.448 919 I CB 0.219 38.206 38.000 -0.023 0.000 1.222 919 I HN 0.183 nan 8.210 nan 0.000 0.453 920 L N 2.784 123.998 121.223 -0.016 0.000 2.906 920 L HA -0.215 4.125 4.340 -0.000 0.000 0.292 920 L C 1.073 177.935 176.870 -0.014 0.000 1.130 920 L CA 1.224 56.056 54.840 -0.014 0.000 0.940 920 L CB -0.243 41.808 42.059 -0.013 0.000 1.336 920 L HN 0.658 nan 8.230 nan 0.000 0.469 921 G N 2.448 111.239 108.800 -0.014 0.000 2.345 921 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 921 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 921 G C 0.294 175.186 174.900 -0.013 0.000 1.058 921 G CA 0.105 45.196 45.100 -0.014 0.000 0.632 921 G HN 0.740 nan 8.290 nan 0.000 0.508 922 D N 0.809 121.202 120.400 -0.013 0.000 2.703 922 D HA 0.047 4.687 4.640 -0.000 0.000 0.225 922 D C 1.581 177.875 176.300 -0.011 0.000 1.119 922 D CA 0.645 54.638 54.000 -0.011 0.000 0.845 922 D CB 0.376 41.168 40.800 -0.012 0.000 1.182 922 D HN 0.279 nan 8.370 nan 0.000 0.493 923 L N 3.550 124.768 121.223 -0.009 0.000 2.463 923 L HA 0.025 4.365 4.340 -0.000 0.000 0.219 923 L C 2.290 179.157 176.870 -0.006 0.000 1.088 923 L CA 0.199 55.034 54.840 -0.008 0.000 0.849 923 L CB 0.101 42.156 42.059 -0.007 0.000 1.012 923 L HN 0.330 nan 8.230 nan 0.000 0.468 924 K N -0.055 120.341 120.400 -0.006 0.000 2.296 924 K HA 0.005 4.324 4.320 -0.000 0.000 0.200 924 K C 1.877 178.475 176.600 -0.004 0.000 1.048 924 K CA 0.729 57.013 56.287 -0.004 0.000 0.966 924 K CB 0.274 32.771 32.500 -0.004 0.000 0.754 924 K HN 0.280 nan 8.250 nan 0.000 0.466 925 L N 0.347 121.566 121.223 -0.006 0.000 2.102 925 L HA -0.058 4.282 4.340 -0.000 0.000 0.202 925 L C 2.057 178.924 176.870 -0.004 0.000 1.076 925 L CA 0.578 55.414 54.840 -0.007 0.000 0.761 925 L CB -0.313 41.738 42.059 -0.013 0.000 0.921 925 L HN 0.112 nan 8.230 nan 0.000 0.444 926 Q N 0.184 119.980 119.800 -0.005 0.000 2.576 926 Q HA -0.096 4.244 4.340 -0.000 0.000 0.218 926 Q C 1.914 177.916 176.000 0.004 0.000 0.983 926 Q CA 0.733 56.534 55.803 -0.004 0.000 0.920 926 Q CB -0.070 28.663 28.738 -0.009 0.000 0.973 926 Q HN 0.373 nan 8.270 nan 0.000 0.528 927 V N -0.594 119.323 119.914 0.006 0.000 2.492 927 V HA -0.122 3.998 4.120 -0.000 0.000 0.241 927 V C 2.146 178.252 176.094 0.020 0.000 1.041 927 V CA 0.708 63.015 62.300 0.012 0.000 1.057 927 V CB -0.202 31.626 31.823 0.008 0.000 0.711 927 V HN 0.259 nan 8.190 nan 0.000 0.468 928 L N -0.605 120.627 121.223 0.015 0.000 2.027 928 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 928 L C 2.439 179.328 176.870 0.031 0.000 1.074 928 L CA 1.054 55.906 54.840 0.020 0.000 0.745 928 L CB -0.588 41.477 42.059 0.010 0.000 0.898 928 L HN 0.277 nan 8.230 nan 0.000 0.433 929 L N -0.038 121.199 121.223 0.023 0.000 2.261 929 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 929 L C 1.846 178.752 176.870 0.061 0.000 1.114 929 L CA 1.791 56.650 54.840 0.032 0.000 0.777 929 L CB -0.934 41.130 42.059 0.008 0.000 0.910 929 L HN 0.366 nan 8.230 nan 0.000 0.440 930 D N -1.447 118.987 120.400 0.057 0.000 2.338 930 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 930 D C 1.946 178.315 176.300 0.114 0.000 0.997 930 D CA 0.218 54.269 54.000 0.085 0.000 0.880 930 D CB 0.456 41.284 40.800 0.047 0.000 0.980 930 D HN 0.341 nan 8.370 nan 0.000 0.509 931 E N 1.162 121.409 120.200 0.077 0.000 2.051 931 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 931 E C 1.835 178.485 176.600 0.084 0.000 0.991 931 E CA 0.872 57.312 56.400 0.067 0.000 0.799 931 E CB 0.151 29.876 29.700 0.042 0.000 0.748 931 E HN 0.312 nan 8.360 nan 0.000 0.449 932 E N 0.075 120.330 120.200 0.090 0.000 2.013 932 E HA -0.290 4.060 4.350 -0.000 0.000 0.202 932 E C 2.042 178.725 176.600 0.138 0.000 1.018 932 E CA 1.556 58.014 56.400 0.097 0.000 0.834 932 E CB -0.404 29.354 29.700 0.098 0.000 0.770 932 E HN 0.272 nan 8.360 nan 0.000 0.459 933 Y N 1.243 121.578 120.300 0.059 0.000 2.102 933 Y HA -0.285 4.265 4.550 -0.000 0.000 0.280 933 Y C 2.239 178.202 175.900 0.105 0.000 1.178 933 Y CA 2.447 60.601 58.100 0.091 0.000 1.146 933 Y CB -0.063 38.448 38.460 0.084 0.000 0.968 933 Y HN 0.035 nan 8.280 nan 0.000 0.504 934 K N -0.687 119.849 120.400 0.227 0.000 2.211 934 K HA -0.272 4.048 4.320 -0.000 0.000 0.204 934 K C 2.066 178.690 176.600 0.041 0.000 1.047 934 K CA 1.508 57.873 56.287 0.130 0.000 0.935 934 K CB -0.132 32.436 32.500 0.113 0.000 0.728 934 K HN 0.337 nan 8.250 nan 0.000 0.452 935 Q N 1.068 120.887 119.800 0.031 0.000 2.036 935 Q HA -0.005 4.335 4.340 -0.000 0.000 0.195 935 Q C 1.845 177.830 176.000 -0.025 0.000 0.971 935 Q CA 1.191 56.994 55.803 0.001 0.000 0.826 935 Q CB -0.204 28.537 28.738 0.005 0.000 0.896 935 Q HN 0.203 nan 8.270 nan 0.000 0.449 936 L N -0.110 121.096 121.223 -0.029 0.000 2.137 936 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 936 L C 2.263 179.120 176.870 -0.022 0.000 1.085 936 L CA 1.066 55.889 54.840 -0.028 0.000 0.760 936 L CB -0.695 41.323 42.059 -0.069 0.000 0.893 936 L HN 0.157 nan 8.230 nan 0.000 0.434 937 V N -0.266 119.590 119.914 -0.097 0.000 2.379 937 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 937 V C 2.600 178.629 176.094 -0.109 0.000 1.044 937 V CA 1.610 63.808 62.300 -0.169 0.000 1.036 937 V CB -0.332 31.404 31.823 -0.146 0.000 0.664 937 V HN 0.416 nan 8.190 nan 0.000 0.453 938 K N 0.025 120.398 120.400 -0.046 0.000 2.032 938 K HA -0.268 4.052 4.320 -0.000 0.000 0.209 938 K C 1.796 178.404 176.600 0.014 0.000 1.048 938 K CA 2.287 58.569 56.287 -0.008 0.000 0.927 938 K CB -0.280 32.222 32.500 0.003 0.000 0.712 938 K HN 0.461 nan 8.250 nan 0.000 0.441 939 D N -0.037 120.355 120.400 -0.014 0.000 2.205 939 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 939 D C 1.878 178.202 176.300 0.040 0.000 1.002 939 D CA 1.722 55.723 54.000 0.002 0.000 0.848 939 D CB -0.184 40.596 40.800 -0.034 0.000 0.975 939 D HN 0.125 nan 8.370 nan 0.000 0.449 940 R N 0.701 121.165 120.500 -0.060 0.000 2.222 940 R HA -0.232 4.108 4.340 -0.000 0.000 0.235 940 R C 1.963 178.245 176.300 -0.029 0.000 1.112 940 R CA 2.068 58.098 56.100 -0.116 0.000 0.897 940 R CB -0.177 29.907 30.300 -0.360 0.000 0.882 940 R HN 0.028 nan 8.270 nan 0.000 0.429 941 K N -0.261 120.108 120.400 -0.052 0.000 2.127 941 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 941 K C 2.084 178.697 176.600 0.022 0.000 1.047 941 K CA 1.841 58.113 56.287 -0.025 0.000 0.927 941 K CB -0.767 31.711 32.500 -0.036 0.000 0.716 941 K HN 0.336 nan 8.250 nan 0.000 0.450 942 F N 1.717 121.635 119.950 -0.054 0.000 2.084 942 F HA -0.149 4.378 4.527 -0.000 0.000 0.296 942 F C 2.081 177.867 175.800 -0.024 0.000 1.111 942 F CA 1.201 59.175 58.000 -0.043 0.000 1.224 942 F CB -0.185 38.790 39.000 -0.041 0.000 0.991 942 F HN -0.140 nan 8.300 nan 0.000 0.471 943 L N 0.203 121.640 121.223 0.356 0.000 2.012 943 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 943 L C 2.443 179.402 176.870 0.148 0.000 1.073 943 L CA 1.558 56.586 54.840 0.313 0.000 0.748 943 L CB -0.922 41.286 42.059 0.249 0.000 0.891 943 L HN 0.073 nan 8.230 nan 0.000 0.431 944 R N -0.027 120.528 120.500 0.092 0.000 2.355 944 R HA -0.154 4.186 4.340 -0.000 0.000 0.219 944 R C 1.628 177.918 176.300 -0.017 0.000 1.107 944 R CA 0.736 56.887 56.100 0.085 0.000 1.021 944 R CB -0.114 30.238 30.300 0.087 0.000 0.852 944 R HN 0.489 nan 8.270 nan 0.000 0.475 945 E N -0.723 119.391 120.200 -0.144 0.000 2.473 945 E HA 0.016 4.366 4.350 -0.000 0.000 0.204 945 E C 1.132 177.523 176.600 -0.347 0.000 0.994 945 E CA -0.038 56.212 56.400 -0.251 0.000 0.945 945 E CB 0.759 30.248 29.700 -0.351 0.000 0.990 945 E HN 0.041 nan 8.360 nan 0.000 0.493 946 V N -0.161 119.523 119.914 -0.384 0.000 2.743 946 V HA 0.063 4.183 4.120 -0.000 0.000 0.237 946 V C 0.212 175.912 176.094 -0.656 0.000 1.113 946 V CA 0.678 62.619 62.300 -0.598 0.000 1.141 946 V CB 0.189 31.550 31.823 -0.770 0.000 0.873 946 V HN 0.103 nan 8.190 nan 0.000 0.486 947 F N 0.409 120.229 119.950 -0.216 0.000 2.387 947 F HA 0.389 4.916 4.527 -0.000 0.000 0.332 947 F C 1.214 176.998 175.800 -0.027 0.000 1.174 947 F CA -0.360 57.547 58.000 -0.155 0.000 1.257 947 F CB 0.064 38.962 39.000 -0.170 0.000 1.569 947 F HN -0.182 nan 8.300 nan 0.000 0.554 948 V N -0.001 119.958 119.914 0.076 0.000 2.324 948 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 948 V C 2.052 178.267 176.094 0.202 0.000 1.060 948 V CA 1.976 64.343 62.300 0.112 0.000 1.042 948 V CB -0.304 31.537 31.823 0.030 0.000 0.650 948 V HN 0.566 nan 8.190 nan 0.000 0.450 949 D N 0.160 120.668 120.400 0.179 0.000 2.203 949 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 949 D C 1.966 178.318 176.300 0.087 0.000 0.997 949 D CA 2.127 56.226 54.000 0.164 0.000 0.863 949 D CB -0.213 40.693 40.800 0.177 0.000 0.928 949 D HN 0.654 nan 8.370 nan 0.000 0.458 950 G N 0.578 109.366 108.800 -0.021 0.000 2.232 950 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 950 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 950 G C 0.292 175.032 174.900 -0.267 0.000 0.996 950 G CA 0.332 45.104 45.100 -0.545 0.000 0.626 950 G HN 0.360 nan 8.290 nan 0.000 0.509 951 E N 1.074 121.261 120.200 -0.023 0.000 2.480 951 E HA 0.542 4.892 4.350 -0.000 0.000 0.258 951 E C 1.112 177.771 176.600 0.098 0.000 0.984 951 E CA 1.046 57.433 56.400 -0.022 0.000 0.930 951 E CB 0.729 30.415 29.700 -0.022 0.000 0.936 951 E HN 0.864 nan 8.360 nan 0.000 0.466 952 A N 5.076 127.852 122.820 -0.073 0.000 2.431 952 A HA 0.145 4.465 4.320 -0.000 0.000 0.239 952 A C -0.062 177.474 177.584 -0.080 0.000 1.230 952 A CA -0.383 51.645 52.037 -0.015 0.000 0.928 952 A CB 0.116 19.082 19.000 -0.057 0.000 1.006 952 A HN 0.533 nan 8.150 nan 0.000 0.520 953 N N 0.328 118.788 118.700 -0.400 0.000 2.426 953 N HA 0.408 5.148 4.740 -0.000 0.000 0.257 953 N C -1.534 173.442 175.510 -0.889 0.000 1.002 953 N CA 0.264 53.055 53.050 -0.432 0.000 0.942 953 N CB 0.618 38.894 38.487 -0.351 0.000 1.112 953 N HN 0.448 nan 8.380 nan 0.000 0.499 954 W N 1.739 122.950 121.300 -0.149 0.000 3.029 954 W HA 0.404 5.064 4.660 -0.000 0.000 0.339 954 W C -2.140 174.367 176.519 -0.021 0.000 1.198 954 W CA -1.639 55.639 57.345 -0.111 0.000 1.148 954 W CB 0.873 30.212 29.460 -0.203 0.000 1.451 954 W HN 0.271 nan 8.180 nan 0.000 0.564 955 P HA 0.307 nan 4.420 nan 0.000 0.276 955 P C -0.993 176.414 177.300 0.178 0.000 1.253 955 P CA 0.436 63.660 63.100 0.207 0.000 0.766 955 P CB 1.070 32.916 31.700 0.242 0.000 0.845 956 L N 5.508 126.815 121.223 0.140 0.000 2.513 956 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 956 L C -2.340 174.558 176.870 0.047 0.000 0.945 956 L CA -2.544 52.366 54.840 0.117 0.000 0.848 956 L CB 3.262 45.449 42.059 0.214 0.000 1.334 956 L HN 0.192 nan 8.230 nan 0.000 0.407 957 P HA 0.021 nan 4.420 nan 0.000 0.269 957 P C -0.367 176.842 177.300 -0.150 0.000 1.217 957 P CA 0.196 63.171 63.100 -0.208 0.000 0.783 957 P CB 0.963 32.361 31.700 -0.502 0.000 0.898 958 V N -0.474 119.383 119.914 -0.095 0.000 3.677 958 V HA -0.216 3.904 4.120 -0.000 0.000 0.479 958 V C 0.531 176.688 176.094 0.106 0.000 0.682 958 V CA 0.324 62.637 62.300 0.021 0.000 1.977 958 V CB -1.578 30.306 31.823 0.102 0.000 2.402 958 V HN 0.904 nan 8.190 nan 0.000 0.501 959 N N 5.029 123.757 118.700 0.048 0.000 2.405 959 N HA 0.300 5.040 4.740 -0.000 0.000 0.260 959 N C 0.826 176.357 175.510 0.035 0.000 1.152 959 N CA 0.015 53.090 53.050 0.042 0.000 0.948 959 N CB 0.965 39.447 38.487 -0.008 0.000 1.111 959 N HN 0.675 nan 8.380 nan 0.000 0.485 960 I N 3.048 123.650 120.570 0.054 0.000 2.400 960 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 960 I C 2.434 178.528 176.117 -0.038 0.000 1.109 960 I CA 0.171 61.476 61.300 0.009 0.000 1.425 960 I CB -0.152 37.859 38.000 0.018 0.000 1.094 960 I HN 0.582 nan 8.210 nan 0.000 0.425 961 R N 1.678 122.170 120.500 -0.015 0.000 2.179 961 R HA -0.273 4.067 4.340 -0.000 0.000 0.238 961 R C 2.462 178.725 176.300 -0.061 0.000 1.119 961 R CA 2.272 58.354 56.100 -0.029 0.000 0.915 961 R CB -0.323 29.979 30.300 0.003 0.000 0.870 961 R HN 0.240 nan 8.270 nan 0.000 0.432 962 R N 0.145 120.621 120.500 -0.041 0.000 2.080 962 R HA -0.149 4.191 4.340 -0.000 0.000 0.236 962 R C 2.535 178.805 176.300 -0.051 0.000 1.137 962 R CA 1.802 57.873 56.100 -0.050 0.000 0.943 962 R CB -0.696 29.589 30.300 -0.024 0.000 0.846 962 R HN 0.430 nan 8.270 nan 0.000 0.431 963 I N 0.876 121.416 120.570 -0.050 0.000 2.290 963 I HA -0.347 3.823 4.170 -0.000 0.000 0.253 963 I C 2.011 178.115 176.117 -0.022 0.000 1.112 963 I CA 1.469 62.734 61.300 -0.058 0.000 1.377 963 I CB 0.054 37.992 38.000 -0.103 0.000 1.060 963 I HN 0.235 nan 8.210 nan 0.000 0.428 964 I N -0.436 120.079 120.570 -0.091 0.000 2.429 964 I HA -0.230 3.939 4.170 -0.000 0.000 0.247 964 I C 2.377 178.448 176.117 -0.077 0.000 1.099 964 I CA 0.653 61.877 61.300 -0.128 0.000 1.422 964 I CB -0.311 37.453 38.000 -0.392 0.000 1.112 964 I HN 0.230 nan 8.210 nan 0.000 0.430 965 Q N 0.776 120.497 119.800 -0.131 0.000 2.156 965 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 965 Q C 1.868 177.774 176.000 -0.158 0.000 0.995 965 Q CA 1.720 57.388 55.803 -0.225 0.000 0.877 965 Q CB -0.261 28.244 28.738 -0.390 0.000 0.920 965 Q HN 0.548 nan 8.270 nan 0.000 0.416 966 N N 0.238 118.937 118.700 -0.002 0.000 2.135 966 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 966 N C 1.781 177.410 175.510 0.198 0.000 1.027 966 N CA 1.204 54.340 53.050 0.144 0.000 0.849 966 N CB -0.464 38.197 38.487 0.290 0.000 1.002 966 N HN 0.224 nan 8.380 nan 0.000 0.425 967 A N 2.364 125.400 122.820 0.360 0.000 1.940 967 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 967 A C 2.046 179.683 177.584 0.089 0.000 1.190 967 A CA 1.421 53.614 52.037 0.260 0.000 0.647 967 A CB -0.556 18.591 19.000 0.246 0.000 0.821 967 A HN 0.301 nan 8.150 nan 0.000 0.457 968 Q N -0.533 119.294 119.800 0.045 0.000 1.062 968 Q HA -0.256 4.084 4.340 -0.000 0.000 0.761 968 Q C 2.026 178.050 176.000 0.040 0.000 0.915 968 Q CA 1.787 57.608 55.803 0.029 0.000 0.882 968 Q CB -0.922 27.831 28.738 0.025 0.000 0.924 968 Q HN 0.949 nan 8.270 nan 0.000 0.274 969 Q N 0.222 120.050 119.800 0.047 0.000 2.641 969 Q HA -0.103 4.237 4.340 -0.000 0.000 0.220 969 Q C 1.116 177.008 176.000 -0.180 0.000 0.977 969 Q CA 1.675 57.482 55.803 0.006 0.000 0.930 969 Q CB -0.365 28.447 28.738 0.124 0.000 0.976 969 Q HN 0.238 nan 8.270 nan 0.000 0.563 970 T N -0.721 113.738 114.554 -0.158 0.000 3.044 970 T HA 0.135 4.485 4.350 -0.000 0.000 0.255 970 T C -0.198 174.114 174.700 -0.647 0.000 1.073 970 T CA 0.394 62.255 62.100 -0.398 0.000 1.125 970 T CB 0.072 68.667 68.868 -0.456 0.000 0.908 970 T HN 0.380 nan 8.240 nan 0.000 0.480 971 F N 1.154 120.868 119.950 -0.393 0.000 2.791 971 F HA 0.346 4.873 4.527 -0.000 0.000 0.308 971 F C 0.341 176.048 175.800 -0.155 0.000 1.138 971 F CA -1.216 56.611 58.000 -0.289 0.000 1.294 971 F CB -0.440 38.416 39.000 -0.242 0.000 0.975 971 F HN 0.122 nan 8.300 nan 0.000 0.512 972 H N 0.665 119.756 119.070 0.034 0.000 2.258 972 H HA -0.200 4.356 4.556 -0.000 0.000 0.327 972 H C 0.675 176.008 175.328 0.008 0.000 0.979 972 H CA 0.466 56.523 56.048 0.015 0.000 1.096 972 H CB -1.148 28.611 29.762 -0.005 0.000 1.563 972 H HN 0.341 nan 8.280 nan 0.000 0.373 973 I N 2.880 123.491 120.570 0.068 0.000 2.587 973 I HA -0.079 4.091 4.170 -0.000 0.000 0.284 973 I C 0.848 176.886 176.117 -0.132 0.000 1.134 973 I CA 0.192 61.474 61.300 -0.030 0.000 1.410 973 I CB 0.475 38.424 38.000 -0.084 0.000 1.392 973 I HN 0.226 nan 8.210 nan 0.000 0.545 974 D N 6.770 127.119 120.400 -0.086 0.000 2.313 974 D HA 0.035 4.674 4.640 -0.000 0.000 0.239 974 D C 0.691 176.937 176.300 -0.090 0.000 1.142 974 D CA -0.392 53.566 54.000 -0.071 0.000 0.847 974 D CB 0.761 41.563 40.800 0.003 0.000 1.082 974 D HN 0.483 nan 8.370 nan 0.000 0.480 975 H N 1.651 120.746 119.070 0.042 0.000 2.566 975 H HA -0.056 4.500 4.556 -0.000 0.000 0.277 975 H C 1.460 176.799 175.328 0.017 0.000 1.046 975 H CA 1.070 57.136 56.048 0.030 0.000 1.172 975 H CB -0.121 29.660 29.762 0.032 0.000 1.319 975 H HN 0.656 nan 8.280 nan 0.000 0.621 976 T N -2.115 112.493 114.554 0.091 0.000 3.115 976 T HA 0.045 4.394 4.350 -0.000 0.000 0.235 976 T C 1.071 175.789 174.700 0.031 0.000 0.999 976 T CA -0.288 61.847 62.100 0.057 0.000 1.276 976 T CB 0.503 69.398 68.868 0.045 0.000 0.967 976 T HN 0.036 nan 8.240 nan 0.000 0.420 977 K N 2.942 123.353 120.400 0.018 0.000 2.286 977 K HA 0.290 4.610 4.320 -0.000 0.000 0.256 977 K C -2.324 174.277 176.600 0.002 0.000 0.999 977 K CA -1.503 54.789 56.287 0.008 0.000 0.908 977 K CB 0.038 32.541 32.500 0.005 0.000 0.981 977 K HN 0.385 nan 8.250 nan 0.000 0.500 978 P HA -0.002 nan 4.420 nan 0.000 0.278 978 P C -0.194 177.095 177.300 -0.019 0.000 1.238 978 P CA -0.264 62.829 63.100 -0.012 0.000 0.794 978 P CB 1.512 33.204 31.700 -0.014 0.000 0.955 979 S N 1.136 116.819 115.700 -0.028 0.000 2.695 979 S HA 0.011 4.481 4.470 -0.000 0.000 0.250 979 S C 0.513 175.090 174.600 -0.038 0.000 1.355 979 S CA 0.717 58.894 58.200 -0.039 0.000 0.965 979 S CB -0.310 62.855 63.200 -0.057 0.000 0.987 979 S HN 0.706 nan 8.310 nan 0.000 0.576 980 D N 0.025 120.396 120.400 -0.048 0.000 2.969 980 D HA 0.160 4.799 4.640 -0.000 0.000 0.317 980 D C -0.634 175.632 176.300 -0.057 0.000 1.650 980 D CA -0.214 53.761 54.000 -0.042 0.000 0.789 980 D CB -1.179 39.606 40.800 -0.025 0.000 1.277 980 D HN 0.374 nan 8.370 nan 0.000 0.463 981 L N 0.858 122.028 121.223 -0.088 0.000 2.309 981 L HA 0.473 4.813 4.340 -0.000 0.000 0.282 981 L C 0.636 177.442 176.870 -0.107 0.000 1.036 981 L CA -0.553 54.212 54.840 -0.126 0.000 0.806 981 L CB 1.668 43.589 42.059 -0.229 0.000 1.220 981 L HN -0.190 nan 8.230 nan 0.000 0.429 982 T N 1.561 116.061 114.554 -0.091 0.000 2.754 982 T HA 0.245 4.595 4.350 -0.000 0.000 0.286 982 T C 1.451 176.096 174.700 -0.093 0.000 0.997 982 T CA -0.396 61.662 62.100 -0.070 0.000 0.982 982 T CB 1.520 70.360 68.868 -0.047 0.000 1.027 982 T HN 0.463 nan 8.240 nan 0.000 0.529 983 I N 0.118 120.645 120.570 -0.072 0.000 2.617 983 I HA -0.051 4.119 4.170 -0.000 0.000 0.256 983 I C 2.514 178.593 176.117 -0.064 0.000 1.167 983 I CA 0.970 62.224 61.300 -0.076 0.000 1.469 983 I CB -0.122 37.846 38.000 -0.054 0.000 1.098 983 I HN 0.634 nan 8.210 nan 0.000 0.436 984 K N 0.636 121.008 120.400 -0.046 0.000 2.025 984 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 984 K C 1.611 178.192 176.600 -0.031 0.000 1.049 984 K CA 1.394 57.664 56.287 -0.028 0.000 0.933 984 K CB -0.075 32.414 32.500 -0.018 0.000 0.714 984 K HN 0.170 nan 8.250 nan 0.000 0.438 985 D N 1.091 121.462 120.400 -0.048 0.000 2.205 985 D HA -0.231 4.409 4.640 -0.000 0.000 0.190 985 D C 1.859 178.122 176.300 -0.061 0.000 1.002 985 D CA 1.391 55.362 54.000 -0.048 0.000 0.848 985 D CB -0.443 40.303 40.800 -0.090 0.000 0.975 985 D HN 0.104 nan 8.370 nan 0.000 0.449 986 I N 0.324 120.771 120.570 -0.205 0.000 2.043 986 I HA -0.321 3.849 4.170 -0.000 0.000 0.223 986 I C 2.598 178.714 176.117 -0.002 0.000 1.026 986 I CA 0.931 62.065 61.300 -0.276 0.000 1.326 986 I CB -0.702 37.080 38.000 -0.364 0.000 1.060 986 I HN -0.079 nan 8.210 nan 0.000 0.386 987 V N 1.028 120.933 119.914 -0.016 0.000 2.311 987 V HA -0.328 3.792 4.120 -0.000 0.000 0.256 987 V C 2.311 178.430 176.094 0.041 0.000 1.077 987 V CA 1.991 64.307 62.300 0.026 0.000 1.067 987 V CB -0.626 31.203 31.823 0.010 0.000 0.659 987 V HN 0.387 nan 8.190 nan 0.000 0.451 988 L N -0.317 120.925 121.223 0.033 0.000 2.313 988 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 988 L C 2.389 179.291 176.870 0.053 0.000 1.119 988 L CA 1.174 56.034 54.840 0.034 0.000 0.809 988 L CB -0.633 41.438 42.059 0.021 0.000 0.933 988 L HN 0.484 nan 8.230 nan 0.000 0.449 989 G N -1.118 107.744 108.800 0.103 0.000 2.426 989 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.214 989 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.214 989 G C 1.530 176.483 174.900 0.089 0.000 1.156 989 G CA 0.300 45.475 45.100 0.125 0.000 0.802 989 G HN 0.122 nan 8.290 nan 0.000 0.534 990 V N 0.663 120.654 119.914 0.129 0.000 2.407 990 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 990 V C 2.678 178.775 176.094 0.006 0.000 1.055 990 V CA 2.162 64.500 62.300 0.063 0.000 1.049 990 V CB -0.272 31.613 31.823 0.104 0.000 0.662 990 V HN 0.351 nan 8.190 nan 0.000 0.455 991 K N -0.454 119.956 120.400 0.016 0.000 2.097 991 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 991 K C 1.829 178.417 176.600 -0.020 0.000 1.050 991 K CA 1.366 57.648 56.287 -0.008 0.000 0.938 991 K CB -0.152 32.348 32.500 0.001 0.000 0.718 991 K HN 0.338 nan 8.250 nan 0.000 0.442 992 D N 0.556 120.951 120.400 -0.009 0.000 2.371 992 D HA -0.097 4.543 4.640 -0.000 0.000 0.221 992 D C 1.537 177.811 176.300 -0.042 0.000 0.986 992 D CA 0.330 54.318 54.000 -0.020 0.000 0.899 992 D CB 0.336 41.133 40.800 -0.004 0.000 0.902 992 D HN 0.122 nan 8.370 nan 0.000 0.530 993 L N 0.682 121.872 121.223 -0.054 0.000 2.071 993 L HA -0.030 4.310 4.340 -0.000 0.000 0.201 993 L C 2.103 178.908 176.870 -0.109 0.000 1.076 993 L CA 1.454 56.241 54.840 -0.087 0.000 0.755 993 L CB -0.569 41.429 42.059 -0.101 0.000 0.915 993 L HN -0.136 nan 8.230 nan 0.000 0.445 994 Q N -0.344 119.395 119.800 -0.103 0.000 2.268 994 Q HA -0.236 4.104 4.340 -0.000 0.000 0.210 994 Q C 1.782 177.713 176.000 -0.114 0.000 0.988 994 Q CA 1.465 57.199 55.803 -0.115 0.000 0.883 994 Q CB -0.222 28.461 28.738 -0.093 0.000 0.911 994 Q HN 0.500 nan 8.270 nan 0.000 0.430 995 E N 0.338 120.484 120.200 -0.089 0.000 2.265 995 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 995 E C 1.093 177.638 176.600 -0.092 0.000 0.996 995 E CA 0.715 57.069 56.400 -0.076 0.000 0.832 995 E CB -0.014 29.653 29.700 -0.054 0.000 0.756 995 E HN 0.387 nan 8.360 nan 0.000 0.491 996 N N -0.078 118.550 118.700 -0.121 0.000 2.205 996 N HA 0.070 4.810 4.740 -0.000 0.000 0.201 996 N C 0.451 175.832 175.510 -0.215 0.000 1.128 996 N CA -0.009 52.962 53.050 -0.131 0.000 0.867 996 N CB 0.701 39.126 38.487 -0.103 0.000 0.996 996 N HN 0.137 nan 8.380 nan 0.000 0.503 997 L N 2.115 123.126 121.223 -0.353 0.000 2.697 997 L HA 0.151 4.491 4.340 -0.000 0.000 0.239 997 L C -0.284 176.315 176.870 -0.452 0.000 1.430 997 L CA -0.130 54.239 54.840 -0.784 0.000 1.193 997 L CB -0.969 40.420 42.059 -1.117 0.000 1.516 997 L HN -0.133 nan 8.230 nan 0.000 0.439 998 L N 0.083 121.212 121.223 -0.156 0.000 2.455 998 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 998 L C 1.113 178.059 176.870 0.126 0.000 1.174 998 L CA 0.353 55.187 54.840 -0.010 0.000 0.869 998 L CB 1.041 43.093 42.059 -0.011 0.000 1.130 998 L HN 0.058 nan 8.230 nan 0.000 0.474 999 V N 3.132 123.123 119.914 0.129 0.000 2.721 999 V HA 0.192 4.312 4.120 -0.000 0.000 0.236 999 V C 0.601 176.738 176.094 0.072 0.000 1.116 999 V CA 0.274 62.655 62.300 0.135 0.000 1.148 999 V CB 0.149 32.057 31.823 0.142 0.000 0.886 999 V HN 0.449 nan 8.190 nan 0.000 0.490 1000 L N -0.326 120.932 121.223 0.059 0.000 2.352 1000 L HA 0.457 4.797 4.340 -0.000 0.000 0.269 1000 L C 1.109 177.996 176.870 0.029 0.000 1.034 1000 L CA -0.131 54.737 54.840 0.047 0.000 0.806 1000 L CB 1.809 43.895 42.059 0.045 0.000 1.244 1000 L HN 0.034 nan 8.230 nan 0.000 0.447 1001 R N 0.691 121.205 120.500 0.024 0.000 2.225 1001 R HA 0.200 4.540 4.340 -0.000 0.000 0.194 1001 R C 0.627 176.930 176.300 0.005 0.000 0.949 1001 R CA 0.266 56.372 56.100 0.010 0.000 1.088 1001 R CB 0.194 30.497 30.300 0.005 0.000 1.106 1001 R HN 0.845 nan 8.270 nan 0.000 0.566 1002 G N 1.911 110.716 108.800 0.010 0.000 3.031 1002 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.242 1002 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.242 1002 G C -0.229 174.670 174.900 -0.002 0.000 0.566 1002 G CA 0.289 45.392 45.100 0.005 0.000 1.127 1002 G HN 0.156 nan 8.290 nan 0.000 0.280 1003 K N 1.076 121.474 120.400 -0.003 0.000 3.127 1003 K HA 0.298 4.618 4.320 -0.000 0.000 0.236 1003 K C 0.474 177.070 176.600 -0.007 0.000 1.271 1003 K CA -0.049 56.234 56.287 -0.006 0.000 1.224 1003 K CB -0.337 32.160 32.500 -0.006 0.000 1.482 1003 K HN 0.879 nan 8.250 nan 0.000 0.435 1004 N N -3.035 115.660 118.700 -0.008 0.000 3.179 1004 N HA 0.082 4.822 4.740 -0.000 0.000 0.250 1004 N C 0.211 175.713 175.510 -0.013 0.000 1.507 1004 N CA -0.756 52.289 53.050 -0.010 0.000 0.883 1004 N CB 0.719 39.200 38.487 -0.009 0.000 1.435 1004 N HN -0.122 nan 8.380 nan 0.000 0.532 1005 E N 0.294 120.486 120.200 -0.015 0.000 2.008 1005 E HA 0.151 4.500 4.350 -0.000 0.000 0.191 1005 E C 1.410 177.996 176.600 -0.024 0.000 0.986 1005 E CA 1.563 57.952 56.400 -0.018 0.000 0.807 1005 E CB -0.355 29.335 29.700 -0.017 0.000 0.766 1005 E HN 0.582 nan 8.360 nan 0.000 0.450 1006 I N 0.913 121.465 120.570 -0.029 0.000 2.103 1006 I HA -0.382 3.788 4.170 -0.000 0.000 0.241 1006 I C 2.178 178.269 176.117 -0.044 0.000 1.036 1006 I CA 1.338 62.612 61.300 -0.043 0.000 1.300 1006 I CB -0.497 37.474 38.000 -0.048 0.000 1.010 1006 I HN 0.294 nan 8.210 nan 0.000 0.406 1007 I N 0.055 120.606 120.570 -0.031 0.000 2.072 1007 I HA -0.273 3.897 4.170 -0.000 0.000 0.235 1007 I C 2.428 178.535 176.117 -0.016 0.000 1.058 1007 I CA 1.546 62.833 61.300 -0.021 0.000 1.320 1007 I CB -1.432 36.563 38.000 -0.007 0.000 1.047 1007 I HN 0.387 nan 8.210 nan 0.000 0.397 1008 Q N 0.685 120.476 119.800 -0.014 0.000 2.522 1008 Q HA -0.187 4.153 4.340 -0.000 0.000 0.216 1008 Q C 1.717 177.707 176.000 -0.016 0.000 0.986 1008 Q CA 0.778 56.573 55.803 -0.013 0.000 0.901 1008 Q CB -0.481 28.248 28.738 -0.014 0.000 0.954 1008 Q HN 0.501 nan 8.270 nan 0.000 0.502 1009 N N -0.095 118.592 118.700 -0.021 0.000 2.305 1009 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 1009 N C 1.535 177.032 175.510 -0.021 0.000 1.019 1009 N CA 0.976 54.012 53.050 -0.023 0.000 0.869 1009 N CB 0.137 38.607 38.487 -0.029 0.000 1.000 1009 N HN 0.174 nan 8.380 nan 0.000 0.431 1010 A N 1.191 123.996 122.820 -0.025 0.000 1.908 1010 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 1010 A C 2.109 179.694 177.584 0.001 0.000 1.181 1010 A CA 1.852 53.879 52.037 -0.017 0.000 0.627 1010 A CB -0.832 18.156 19.000 -0.020 0.000 0.818 1010 A HN 0.368 nan 8.150 nan 0.000 0.445 1011 Q N 0.356 120.158 119.800 0.003 0.000 1.991 1011 Q HA -0.278 4.062 4.340 -0.000 0.000 0.213 1011 Q C 2.085 178.090 176.000 0.008 0.000 1.022 1011 Q CA 2.723 58.532 55.803 0.011 0.000 0.877 1011 Q CB -0.551 28.187 28.738 0.000 0.000 0.970 1011 Q HN 0.674 nan 8.270 nan 0.000 0.414 1012 R N 0.331 120.826 120.500 -0.008 0.000 2.133 1012 R HA -0.202 4.138 4.340 -0.000 0.000 0.245 1012 R C 2.103 178.395 176.300 -0.013 0.000 1.137 1012 R CA 1.657 57.746 56.100 -0.018 0.000 0.947 1012 R CB -0.815 29.469 30.300 -0.027 0.000 0.865 1012 R HN 0.546 nan 8.270 nan 0.000 0.437 1013 D N 1.001 121.397 120.400 -0.006 0.000 2.212 1013 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 1013 D C 1.373 177.681 176.300 0.014 0.000 1.004 1013 D CA 1.678 55.678 54.000 0.001 0.000 0.864 1013 D CB -0.426 40.377 40.800 0.005 0.000 1.027 1013 D HN 0.283 nan 8.370 nan 0.000 0.455 1014 A N 0.279 123.116 122.820 0.027 0.000 2.028 1014 A HA 0.097 4.417 4.320 -0.000 0.000 0.207 1014 A C 1.353 178.984 177.584 0.079 0.000 1.396 1014 A CA 0.526 52.589 52.037 0.042 0.000 1.257 1014 A CB -0.466 18.563 19.000 0.047 0.000 0.752 1014 A HN 0.189 nan 8.150 nan 0.000 0.549 1015 V N -3.180 116.780 119.914 0.077 0.000 3.180 1015 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 1015 V C 2.149 178.310 176.094 0.112 0.000 1.545 1015 V CA 1.023 63.410 62.300 0.145 0.000 1.138 1015 V CB -0.744 31.145 31.823 0.109 0.000 0.978 1015 V HN 0.470 nan 8.190 nan 0.000 0.437 1016 T N 2.239 116.796 114.554 0.006 0.000 2.522 1016 T HA -0.376 3.974 4.350 -0.000 0.000 0.253 1016 T C 1.815 176.460 174.700 -0.091 0.000 1.218 1016 T CA 2.679 64.719 62.100 -0.101 0.000 1.155 1016 T CB -0.600 68.152 68.868 -0.194 0.000 0.855 1016 T HN 0.248 nan 8.240 nan 0.000 0.435 1017 L N 0.624 121.830 121.223 -0.028 0.000 1.997 1017 L HA -0.102 4.238 4.340 -0.000 0.000 0.216 1017 L C 2.105 179.030 176.870 0.091 0.000 1.074 1017 L CA 1.850 56.711 54.840 0.035 0.000 0.763 1017 L CB -1.504 40.617 42.059 0.104 0.000 0.890 1017 L HN 0.324 nan 8.230 nan 0.000 0.434 1018 F N 0.202 120.163 119.950 0.018 0.000 2.043 1018 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 1018 F C 2.681 178.492 175.800 0.018 0.000 1.118 1018 F CA 2.007 60.039 58.000 0.054 0.000 1.202 1018 F CB -1.162 37.926 39.000 0.147 0.000 0.965 1018 F HN 0.280 nan 8.300 nan 0.000 0.482 1019 C N 0.196 119.398 119.300 -0.163 0.000 2.385 1019 C HA -0.311 4.149 4.460 -0.000 0.000 0.275 1019 C C 3.066 177.901 174.990 -0.259 0.000 1.207 1019 C CA 1.092 59.935 59.018 -0.293 0.000 1.760 1019 C CB -2.006 25.647 27.740 -0.145 0.000 2.051 1019 C HN 0.742 nan 8.230 nan 0.000 0.467 1020 C N 0.532 119.726 119.300 -0.175 0.000 2.385 1020 C HA -0.184 4.276 4.460 -0.000 0.000 0.275 1020 C C 2.549 177.471 174.990 -0.112 0.000 1.207 1020 C CA 1.482 60.422 59.018 -0.130 0.000 1.760 1020 C CB -1.736 25.942 27.740 -0.103 0.000 2.051 1020 C HN 0.703 nan 8.230 nan 0.000 0.467 1021 L N 0.426 121.565 121.223 -0.139 0.000 2.141 1021 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 1021 L C 2.174 178.927 176.870 -0.195 0.000 1.094 1021 L CA 1.614 56.383 54.840 -0.117 0.000 0.763 1021 L CB -0.800 41.213 42.059 -0.076 0.000 0.908 1021 L HN 0.246 nan 8.230 nan 0.000 0.437 1022 L N -0.034 120.958 121.223 -0.386 0.000 2.027 1022 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 1022 L C 2.701 179.482 176.870 -0.149 0.000 1.074 1022 L CA 1.734 56.353 54.840 -0.369 0.000 0.745 1022 L CB -0.688 41.045 42.059 -0.544 0.000 0.898 1022 L HN 0.268 nan 8.230 nan 0.000 0.433 1023 R N -1.180 119.252 120.500 -0.113 0.000 2.115 1023 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 1023 R C 2.473 178.813 176.300 0.066 0.000 1.111 1023 R CA 1.204 57.293 56.100 -0.019 0.000 0.976 1023 R CB -0.628 29.657 30.300 -0.027 0.000 0.870 1023 R HN 0.472 nan 8.270 nan 0.000 0.445 1024 S N 0.740 116.477 115.700 0.062 0.000 2.383 1024 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 1024 S C 1.577 176.307 174.600 0.216 0.000 1.030 1024 S CA 1.019 59.333 58.200 0.190 0.000 1.002 1024 S CB 0.110 63.377 63.200 0.112 0.000 0.829 1024 S HN 0.214 nan 8.310 nan 0.000 0.467 1025 R N 0.272 120.844 120.500 0.120 0.000 2.362 1025 R HA 0.374 4.714 4.340 -0.000 0.000 0.227 1025 R C 0.024 176.446 176.300 0.203 0.000 0.905 1025 R CA 0.084 56.283 56.100 0.166 0.000 1.067 1025 R CB -0.104 30.273 30.300 0.129 0.000 1.078 1025 R HN 0.418 nan 8.270 nan 0.000 0.516 1026 L N 0.828 122.133 121.223 0.137 0.000 3.059 1026 L HA 0.452 4.792 4.340 -0.000 0.000 0.298 1026 L C -0.276 176.673 176.870 0.131 0.000 1.304 1026 L CA -0.496 54.456 54.840 0.187 0.000 0.855 1026 L CB 1.209 43.361 42.059 0.156 0.000 1.266 1026 L HN -0.097 nan 8.230 nan 0.000 0.572 1027 A N -0.572 122.282 122.820 0.056 0.000 2.301 1027 A HA 0.525 4.845 4.320 -0.000 0.000 0.312 1027 A C 1.335 178.883 177.584 -0.061 0.000 1.182 1027 A CA -0.172 51.871 52.037 0.010 0.000 0.826 1027 A CB 0.786 19.791 19.000 0.008 0.000 1.134 1027 A HN 0.359 nan 8.150 nan 0.000 0.501 1028 T N 1.893 116.419 114.554 -0.045 0.000 2.567 1028 T HA -0.277 4.073 4.350 -0.000 0.000 0.261 1028 T C 2.120 176.742 174.700 -0.130 0.000 1.123 1028 T CA 2.077 64.126 62.100 -0.085 0.000 1.166 1028 T CB -0.312 68.519 68.868 -0.062 0.000 0.860 1028 T HN 0.661 nan 8.240 nan 0.000 0.436 1029 R N 0.615 121.022 120.500 -0.154 0.000 2.097 1029 R HA -0.042 4.298 4.340 -0.000 0.000 0.236 1029 R C 2.691 178.830 176.300 -0.269 0.000 1.135 1029 R CA 1.729 57.710 56.100 -0.199 0.000 0.934 1029 R CB -0.615 29.550 30.300 -0.224 0.000 0.846 1029 R HN 0.409 nan 8.270 nan 0.000 0.431 1030 R N -0.193 120.083 120.500 -0.373 0.000 2.113 1030 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 1030 R C 2.294 178.306 176.300 -0.480 0.000 1.129 1030 R CA 2.154 57.949 56.100 -0.509 0.000 0.915 1030 R CB -0.666 29.317 30.300 -0.528 0.000 0.837 1030 R HN 0.058 nan 8.270 nan 0.000 0.430 1031 V N 0.860 120.658 119.914 -0.194 0.000 2.511 1031 V HA -0.284 3.836 4.120 -0.000 0.000 0.257 1031 V C 1.950 178.043 176.094 -0.001 0.000 1.088 1031 V CA 1.856 64.196 62.300 0.066 0.000 1.098 1031 V CB -0.456 31.408 31.823 0.069 0.000 0.674 1031 V HN 0.313 nan 8.190 nan 0.000 0.470 1032 L N -1.900 119.257 121.223 -0.110 0.000 2.500 1032 L HA 0.130 4.470 4.340 -0.000 0.000 0.219 1032 L C 2.291 179.109 176.870 -0.087 0.000 1.057 1032 L CA 0.874 55.663 54.840 -0.085 0.000 0.854 1032 L CB -0.279 41.721 42.059 -0.099 0.000 1.078 1032 L HN 0.170 nan 8.230 nan 0.000 0.480 1033 Q N 0.058 119.770 119.800 -0.146 0.000 2.259 1033 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 1033 Q C 1.801 177.715 176.000 -0.142 0.000 0.938 1033 Q CA 0.866 56.592 55.803 -0.129 0.000 0.872 1033 Q CB 0.451 29.099 28.738 -0.149 0.000 0.971 1033 Q HN 0.462 nan 8.270 nan 0.000 0.494 1034 E N -0.476 119.557 120.200 -0.278 0.000 2.042 1034 E HA -0.082 4.268 4.350 -0.000 0.000 0.189 1034 E C -0.359 176.173 176.600 -0.115 0.000 0.974 1034 E CA 0.663 56.883 56.400 -0.301 0.000 0.806 1034 E CB 0.283 29.644 29.700 -0.566 0.000 0.769 1034 E HN 0.359 nan 8.360 nan 0.000 0.451 1035 Y N 0.077 120.395 120.300 0.031 0.000 2.837 1035 Y HA 0.406 4.956 4.550 -0.000 0.000 0.356 1035 Y C -0.510 175.409 175.900 0.032 0.000 1.035 1035 Y CA -1.131 57.007 58.100 0.064 0.000 1.165 1035 Y CB 0.121 38.610 38.460 0.047 0.000 1.147 1035 Y HN -0.315 nan 8.280 nan 0.000 0.628 1036 R N 3.046 123.642 120.500 0.159 0.000 4.314 1036 R HA -0.043 4.297 4.340 -0.000 0.000 0.237 1036 R C -0.307 176.013 176.300 0.032 0.000 0.670 1036 R CA 0.432 56.568 56.100 0.060 0.000 0.943 1036 R CB -0.609 29.701 30.300 0.017 0.000 0.942 1036 R HN 0.734 nan 8.270 nan 0.000 0.334 1037 L N 1.362 122.624 121.223 0.064 0.000 2.399 1037 L HA 0.224 4.564 4.340 -0.000 0.000 0.266 1037 L C 1.424 178.279 176.870 -0.026 0.000 1.114 1037 L CA -0.302 54.556 54.840 0.030 0.000 0.804 1037 L CB 1.280 43.422 42.059 0.139 0.000 1.146 1037 L HN 0.442 nan 8.230 nan 0.000 0.451 1038 T N -1.647 112.866 114.554 -0.068 0.000 2.923 1038 T HA 0.209 4.558 4.350 -0.000 0.000 0.281 1038 T C 0.813 175.488 174.700 -0.042 0.000 0.995 1038 T CA -0.705 61.357 62.100 -0.063 0.000 0.985 1038 T CB 1.784 70.610 68.868 -0.070 0.000 1.114 1038 T HN 0.577 nan 8.240 nan 0.000 0.548 1039 K N 0.301 120.686 120.400 -0.025 0.000 2.063 1039 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 1039 K C 2.360 178.984 176.600 0.040 0.000 1.048 1039 K CA 2.102 58.400 56.287 0.018 0.000 0.928 1039 K CB -0.623 31.884 32.500 0.013 0.000 0.713 1039 K HN 0.744 nan 8.250 nan 0.000 0.442 1040 Q N -0.314 119.472 119.800 -0.023 0.000 1.975 1040 Q HA -0.214 4.126 4.340 -0.000 0.000 0.205 1040 Q C 2.012 177.866 176.000 -0.244 0.000 0.990 1040 Q CA 2.267 58.035 55.803 -0.059 0.000 0.845 1040 Q CB -0.500 28.230 28.738 -0.013 0.000 0.913 1040 Q HN 0.438 nan 8.270 nan 0.000 0.420 1041 A N 0.363 122.832 122.820 -0.585 0.000 1.884 1041 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 1041 A C 1.932 179.442 177.584 -0.122 0.000 1.197 1041 A CA 1.868 53.469 52.037 -0.728 0.000 0.637 1041 A CB -1.351 17.308 19.000 -0.568 0.000 0.827 1041 A HN 0.622 nan 8.150 nan 0.000 0.450 1042 F N 1.087 120.951 119.950 -0.143 0.000 2.043 1042 F HA -0.230 4.296 4.527 -0.000 0.000 0.297 1042 F C 2.046 177.848 175.800 0.003 0.000 1.121 1042 F CA 2.395 60.367 58.000 -0.047 0.000 1.199 1042 F CB -0.360 38.616 39.000 -0.040 0.000 0.968 1042 F HN 0.292 nan 8.300 nan 0.000 0.478 1043 D N -1.207 119.276 120.400 0.138 0.000 2.221 1043 D HA -0.248 4.392 4.640 -0.000 0.000 0.204 1043 D C 1.803 178.136 176.300 0.055 0.000 0.982 1043 D CA 1.302 55.342 54.000 0.066 0.000 0.857 1043 D CB -0.507 40.365 40.800 0.119 0.000 0.934 1043 D HN 0.503 nan 8.370 nan 0.000 0.475 1044 W N 1.171 122.398 121.300 -0.122 0.000 2.452 1044 W HA -0.123 4.537 4.660 -0.000 0.000 0.313 1044 W C 2.252 178.693 176.519 -0.130 0.000 1.176 1044 W CA 0.619 57.919 57.345 -0.076 0.000 1.350 1044 W CB -0.596 28.846 29.460 -0.030 0.000 1.148 1044 W HN -0.303 nan 8.180 nan 0.000 0.498 1045 V N 1.792 121.722 119.914 0.027 0.000 2.370 1045 V HA -0.375 3.745 4.120 -0.000 0.000 0.252 1045 V C 2.273 178.171 176.094 -0.327 0.000 1.068 1045 V CA 2.056 64.237 62.300 -0.198 0.000 1.061 1045 V CB -1.135 30.577 31.823 -0.186 0.000 0.656 1045 V HN 0.262 nan 8.190 nan 0.000 0.455 1046 L N -0.534 120.469 121.223 -0.366 0.000 1.973 1046 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 1046 L C 2.737 179.465 176.870 -0.237 0.000 1.073 1046 L CA 1.868 56.511 54.840 -0.328 0.000 0.746 1046 L CB -1.022 40.829 42.059 -0.346 0.000 0.891 1046 L HN 0.394 nan 8.230 nan 0.000 0.433 1047 S N 0.239 115.815 115.700 -0.208 0.000 2.390 1047 S HA -0.294 4.176 4.470 -0.000 0.000 0.234 1047 S C 1.886 176.348 174.600 -0.231 0.000 1.063 1047 S CA 2.138 60.228 58.200 -0.183 0.000 1.108 1047 S CB -0.393 62.714 63.200 -0.155 0.000 0.975 1047 S HN 0.403 nan 8.310 nan 0.000 0.442 1048 N N 0.923 119.399 118.700 -0.373 0.000 2.025 1048 N HA -0.061 4.679 4.740 -0.000 0.000 0.194 1048 N C 1.929 177.317 175.510 -0.204 0.000 1.044 1048 N CA 1.803 54.629 53.050 -0.374 0.000 0.851 1048 N CB -0.570 37.554 38.487 -0.605 0.000 1.036 1048 N HN 0.479 nan 8.380 nan 0.000 0.422 1049 I N 1.500 121.967 120.570 -0.172 0.000 2.145 1049 I HA -0.326 3.844 4.170 -0.000 0.000 0.244 1049 I C 2.570 178.695 176.117 0.014 0.000 1.075 1049 I CA 1.410 62.688 61.300 -0.037 0.000 1.332 1049 I CB -0.426 37.561 38.000 -0.021 0.000 1.033 1049 I HN 0.325 nan 8.210 nan 0.000 0.410 1050 E N 1.380 121.549 120.200 -0.053 0.000 2.021 1050 E HA -0.282 4.068 4.350 -0.000 0.000 0.200 1050 E C 2.223 178.824 176.600 0.001 0.000 1.015 1050 E CA 1.860 58.233 56.400 -0.046 0.000 0.824 1050 E CB -0.207 29.442 29.700 -0.085 0.000 0.762 1050 E HN 0.427 nan 8.360 nan 0.000 0.454 1051 A N 0.550 123.344 122.820 -0.043 0.000 1.873 1051 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 1051 A C 2.253 179.825 177.584 -0.021 0.000 1.193 1051 A CA 2.121 54.136 52.037 -0.037 0.000 0.629 1051 A CB -1.004 17.954 19.000 -0.070 0.000 0.826 1051 A HN 0.509 nan 8.150 nan 0.000 0.447 1052 Q N -1.895 117.884 119.800 -0.034 0.000 2.112 1052 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 1052 Q C 1.828 177.804 176.000 -0.039 0.000 0.987 1052 Q CA 2.008 57.788 55.803 -0.038 0.000 0.858 1052 Q CB -0.274 28.439 28.738 -0.042 0.000 0.905 1052 Q HN 0.758 nan 8.270 nan 0.000 0.420 1053 F N 0.372 120.232 119.950 -0.151 0.000 2.031 1053 F HA -0.207 4.320 4.527 -0.000 0.000 0.295 1053 F C 1.679 177.357 175.800 -0.204 0.000 1.133 1053 F CA 1.305 59.176 58.000 -0.214 0.000 1.188 1053 F CB -0.187 38.693 39.000 -0.200 0.000 0.974 1053 F HN 0.002 nan 8.300 nan 0.000 0.473 1054 L N 0.361 121.740 121.223 0.260 0.000 2.357 1054 L HA -0.265 4.075 4.340 -0.000 0.000 0.220 1054 L C 2.371 179.180 176.870 -0.101 0.000 1.123 1054 L CA 1.134 56.037 54.840 0.105 0.000 0.782 1054 L CB -0.564 41.533 42.059 0.063 0.000 0.910 1054 L HN 0.246 nan 8.230 nan 0.000 0.442 1055 R N -1.359 119.037 120.500 -0.174 0.000 2.112 1055 R HA 0.036 4.376 4.340 -0.000 0.000 0.216 1055 R C 2.087 178.057 176.300 -0.551 0.000 1.080 1055 R CA 0.865 56.806 56.100 -0.265 0.000 0.996 1055 R CB -0.088 30.095 30.300 -0.195 0.000 0.902 1055 R HN 0.196 nan 8.270 nan 0.000 0.449 1056 S N 0.966 116.297 115.700 -0.614 0.000 2.603 1056 S HA 0.043 4.513 4.470 -0.000 0.000 0.229 1056 S C 0.915 175.220 174.600 -0.492 0.000 0.972 1056 S CA 0.034 57.810 58.200 -0.707 0.000 0.935 1056 S CB -0.073 62.820 63.200 -0.512 0.000 0.769 1056 S HN -0.026 nan 8.310 nan 0.000 0.536 1057 V N 1.457 121.117 119.914 -0.423 0.000 3.503 1057 V HA 0.135 4.255 4.120 -0.000 0.000 0.300 1057 V C 0.672 176.676 176.094 -0.150 0.000 1.099 1057 V CA -0.401 61.732 62.300 -0.277 0.000 1.117 1057 V CB 0.671 32.369 31.823 -0.207 0.000 1.122 1057 V HN 0.079 nan 8.190 nan 0.000 0.476 1058 V N 0.708 120.596 119.914 -0.044 0.000 2.532 1058 V HA 0.280 4.400 4.120 -0.000 0.000 0.295 1058 V C 0.030 176.134 176.094 0.016 0.000 1.041 1058 V CA -0.644 61.701 62.300 0.075 0.000 0.926 1058 V CB 1.181 33.123 31.823 0.198 0.000 0.992 1058 V HN 0.757 nan 8.190 nan 0.000 0.457 1059 H N 4.514 123.586 119.070 0.003 0.000 2.864 1059 H HA 0.192 4.748 4.556 -0.000 0.000 0.281 1059 H C -2.306 172.989 175.328 -0.055 0.000 1.093 1059 H CA -1.712 54.335 56.048 -0.002 0.000 1.453 1059 H CB 1.157 30.924 29.762 0.008 0.000 1.462 1059 H HN 0.401 nan 8.280 nan 0.000 0.480 1060 P HA -0.026 nan 4.420 nan 0.000 0.256 1060 P C 0.866 177.999 177.300 -0.279 0.000 1.189 1060 P CA 0.902 63.884 63.100 -0.197 0.000 0.808 1060 P CB 0.410 31.957 31.700 -0.255 0.000 0.793 1061 G N 2.520 111.187 108.800 -0.222 0.000 3.611 1061 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 1061 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 1061 G C -0.059 174.755 174.900 -0.142 0.000 1.023 1061 G CA -0.471 44.536 45.100 -0.155 0.000 0.887 1061 G HN 0.397 nan 8.290 nan 0.000 0.420 1062 E N 1.932 122.058 120.200 -0.124 0.000 2.694 1062 E HA 0.069 4.419 4.350 -0.000 0.000 0.250 1062 E C 0.377 176.851 176.600 -0.211 0.000 0.963 1062 E CA 0.439 56.749 56.400 -0.149 0.000 0.949 1062 E CB 0.318 29.926 29.700 -0.153 0.000 0.911 1062 E HN 0.198 nan 8.360 nan 0.000 0.500 1063 M N 4.626 124.121 119.600 -0.175 0.000 3.586 1063 M HA 0.008 4.488 4.480 -0.000 0.000 0.225 1063 M C 1.214 177.401 176.300 -0.189 0.000 1.428 1063 M CA -0.172 55.021 55.300 -0.178 0.000 1.613 1063 M CB -0.528 31.992 32.600 -0.133 0.000 1.063 1063 M HN 0.255 nan 8.290 nan 0.000 0.593 1064 V N 1.239 120.989 119.914 -0.273 0.000 2.317 1064 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 1064 V C 2.368 178.379 176.094 -0.139 0.000 1.065 1064 V CA 2.532 64.656 62.300 -0.293 0.000 1.049 1064 V CB -1.374 30.099 31.823 -0.583 0.000 0.651 1064 V HN 0.809 nan 8.190 nan 0.000 0.450 1065 G N 0.038 108.757 108.800 -0.135 0.000 2.628 1065 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.217 1065 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.217 1065 G C 1.655 176.493 174.900 -0.103 0.000 1.240 1065 G CA 1.584 46.623 45.100 -0.101 0.000 0.792 1065 G HN 0.373 nan 8.290 nan 0.000 0.593 1066 V N 1.194 121.038 119.914 -0.117 0.000 2.278 1066 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 1066 V C 2.704 178.730 176.094 -0.113 0.000 1.062 1066 V CA 1.761 63.990 62.300 -0.117 0.000 1.038 1066 V CB -0.746 31.012 31.823 -0.107 0.000 0.646 1066 V HN 0.349 nan 8.190 nan 0.000 0.447 1067 L N 0.854 122.019 121.223 -0.097 0.000 1.933 1067 L HA -0.225 4.115 4.340 -0.000 0.000 0.220 1067 L C 2.615 179.383 176.870 -0.169 0.000 1.078 1067 L CA 2.988 57.772 54.840 -0.093 0.000 0.773 1067 L CB -1.725 40.318 42.059 -0.027 0.000 0.890 1067 L HN 0.331 nan 8.230 nan 0.000 0.434 1068 A N -0.401 122.372 122.820 -0.078 0.000 1.927 1068 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 1068 A C 2.438 179.920 177.584 -0.170 0.000 1.185 1068 A CA 2.759 54.732 52.037 -0.106 0.000 0.639 1068 A CB -1.137 18.007 19.000 0.239 0.000 0.820 1068 A HN 0.714 nan 8.150 nan 0.000 0.451 1069 A N -0.513 122.229 122.820 -0.130 0.000 1.848 1069 A HA -0.317 4.003 4.320 -0.000 0.000 0.217 1069 A C 2.101 179.586 177.584 -0.165 0.000 1.220 1069 A CA 2.078 54.029 52.037 -0.145 0.000 0.645 1069 A CB -1.028 17.879 19.000 -0.156 0.000 0.842 1069 A HN 0.678 nan 8.150 nan 0.000 0.451 1070 Q N -0.480 119.218 119.800 -0.169 0.000 1.998 1070 Q HA -0.208 4.132 4.340 -0.000 0.000 0.209 1070 Q C 2.362 178.236 176.000 -0.210 0.000 1.002 1070 Q CA 2.001 57.699 55.803 -0.176 0.000 0.858 1070 Q CB -0.574 28.079 28.738 -0.143 0.000 0.932 1070 Q HN 0.640 nan 8.270 nan 0.000 0.416 1071 S N 0.580 116.120 115.700 -0.266 0.000 2.434 1071 S HA -0.204 4.266 4.470 -0.000 0.000 0.243 1071 S C 1.836 176.312 174.600 -0.208 0.000 1.045 1071 S CA 1.333 59.345 58.200 -0.314 0.000 1.019 1071 S CB -0.276 62.464 63.200 -0.766 0.000 0.811 1071 S HN 0.293 nan 8.310 nan 0.000 0.485 1072 I N 0.061 120.529 120.570 -0.171 0.000 2.512 1072 I HA 0.054 4.224 4.170 -0.000 0.000 0.247 1072 I C 2.551 178.602 176.117 -0.109 0.000 1.094 1072 I CA 0.819 62.058 61.300 -0.101 0.000 1.427 1072 I CB -0.700 37.257 38.000 -0.071 0.000 1.149 1072 I HN 0.352 nan 8.210 nan 0.000 0.438 1073 G N 0.407 109.131 108.800 -0.127 0.000 2.776 1073 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.209 1073 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.209 1073 G C 1.418 176.230 174.900 -0.147 0.000 1.145 1073 G CA 0.228 45.254 45.100 -0.124 0.000 0.791 1073 G HN 0.255 nan 8.290 nan 0.000 0.530 1074 E N 1.281 121.368 120.200 -0.189 0.000 2.038 1074 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 1074 E C -0.355 176.134 176.600 -0.186 0.000 0.967 1074 E CA 0.374 56.614 56.400 -0.266 0.000 0.816 1074 E CB -0.448 28.977 29.700 -0.458 0.000 0.784 1074 E HN 0.308 nan 8.360 nan 0.000 0.456 1075 P HA -0.017 nan 4.420 nan 0.000 0.242 1075 P C 0.489 177.747 177.300 -0.070 0.000 1.198 1075 P CA 0.856 63.906 63.100 -0.083 0.000 0.756 1075 P CB 0.043 31.712 31.700 -0.052 0.000 0.911 1076 A N -0.314 122.456 122.820 -0.082 0.000 2.030 1076 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 1076 A C 2.095 179.645 177.584 -0.056 0.000 1.164 1076 A CA 1.210 53.208 52.037 -0.064 0.000 0.697 1076 A CB -1.089 17.871 19.000 -0.066 0.000 0.827 1076 A HN 0.154 nan 8.150 nan 0.000 0.457 1077 T N 0.014 114.527 114.554 -0.068 0.000 3.014 1077 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 1077 T C 1.597 176.269 174.700 -0.045 0.000 1.078 1077 T CA 0.831 62.898 62.100 -0.054 0.000 1.135 1077 T CB -0.074 68.755 68.868 -0.065 0.000 0.895 1077 T HN 0.379 nan 8.240 nan 0.000 0.480 1078 Q N 0.723 120.494 119.800 -0.049 0.000 2.515 1078 Q HA 0.198 4.538 4.340 -0.000 0.000 0.212 1078 Q C 0.485 176.469 176.000 -0.027 0.000 0.970 1078 Q CA 0.299 56.081 55.803 -0.035 0.000 0.941 1078 Q CB -0.419 28.299 28.738 -0.032 0.000 0.998 1078 Q HN 0.564 nan 8.270 nan 0.000 0.518 1079 M N 1.700 121.282 119.600 -0.030 0.000 2.821 1079 M HA 0.070 4.550 4.480 -0.000 0.000 0.305 1079 M C -0.323 175.964 176.300 -0.022 0.000 1.466 1079 M CA 0.337 55.621 55.300 -0.026 0.000 1.526 1079 M CB -0.127 32.455 32.600 -0.030 0.000 1.321 1079 M HN -0.239 nan 8.290 nan 0.000 0.492 1080 T N 4.927 119.470 114.554 -0.018 0.000 2.747 1080 T HA 0.610 4.960 4.350 -0.000 0.000 0.301 1080 T C 0.033 174.724 174.700 -0.014 0.000 0.952 1080 T CA -0.052 62.039 62.100 -0.016 0.000 0.983 1080 T CB 0.417 69.277 68.868 -0.013 0.000 0.930 1080 T HN 0.493 nan 8.240 nan 0.000 0.494 1093 K N 2.728 123.130 120.400 0.004 0.000 2.307 1093 K HA 0.239 4.558 4.320 -0.000 0.000 0.240 1093 K C -0.145 176.453 176.600 -0.003 0.000 1.214 1093 K CA -0.095 56.190 56.287 -0.003 0.000 1.149 1093 K CB 0.633 33.130 32.500 -0.005 0.000 1.668 1093 K HN -0.093 nan 8.250 nan 0.000 0.314 1094 V N -0.181 119.730 119.914 -0.005 0.000 3.602 1094 V HA 0.080 4.200 4.120 -0.000 0.000 0.285 1094 V C 1.605 177.693 176.094 -0.010 0.000 1.187 1094 V CA -0.470 61.826 62.300 -0.007 0.000 0.940 1094 V CB 1.437 33.255 31.823 -0.009 0.000 1.250 1094 V HN 0.445 nan 8.190 nan 0.000 0.455 1095 T N -0.367 114.180 114.554 -0.012 0.000 3.055 1095 T HA 0.117 4.466 4.350 -0.000 0.000 0.265 1095 T C 0.631 175.322 174.700 -0.015 0.000 1.111 1095 T CA 1.065 63.159 62.100 -0.010 0.000 1.118 1095 T CB -0.073 68.792 68.868 -0.006 0.000 0.909 1095 T HN 0.710 nan 8.240 nan 0.000 0.501 1096 S N -0.958 114.729 115.700 -0.022 0.000 3.983 1096 S HA -0.050 4.420 4.470 -0.000 0.000 0.636 1096 S C 0.981 175.561 174.600 -0.035 0.000 1.724 1096 S CA -0.234 57.950 58.200 -0.027 0.000 1.966 1096 S CB -1.429 61.758 63.200 -0.021 0.000 0.329 1096 S HN 0.626 nan 8.310 nan 0.000 1.703 1097 G N 0.288 109.068 108.800 -0.034 0.000 3.348 1097 G HA2 0.422 4.382 3.960 -0.000 0.000 0.180 1097 G HA3 0.422 4.382 3.960 -0.000 0.000 0.180 1097 G C 1.323 176.206 174.900 -0.029 0.000 1.915 1097 G CA 0.532 45.609 45.100 -0.039 0.000 0.937 1097 G HN 1.116 nan 8.290 nan 0.000 0.564 1098 V N 3.219 123.119 119.914 -0.024 0.000 2.265 1098 V HA -0.247 3.873 4.120 -0.000 0.000 0.260 1098 V C 0.591 176.685 176.094 -0.001 0.000 1.084 1098 V CA 3.013 65.305 62.300 -0.014 0.000 1.086 1098 V CB -1.636 30.181 31.823 -0.010 0.000 0.704 1098 V HN 0.557 nan 8.190 nan 0.000 0.457 1099 P HA -0.217 nan 4.420 nan 0.000 0.215 1099 P C 1.561 178.870 177.300 0.016 0.000 1.153 1099 P CA 2.030 65.138 63.100 0.012 0.000 0.853 1099 P CB -0.129 31.575 31.700 0.007 0.000 0.788 1100 R N 0.665 121.166 120.500 0.002 0.000 2.070 1100 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 1100 R C 2.381 178.680 176.300 -0.001 0.000 1.138 1100 R CA 1.379 57.478 56.100 -0.002 0.000 0.936 1100 R CB -1.944 28.342 30.300 -0.023 0.000 0.839 1100 R HN 0.097 nan 8.270 nan 0.000 0.429 1101 L N 1.278 122.491 121.223 -0.015 0.000 2.043 1101 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 1101 L C 2.182 179.062 176.870 0.016 0.000 1.075 1101 L CA 2.269 57.098 54.840 -0.017 0.000 0.752 1101 L CB -0.788 41.255 42.059 -0.027 0.000 0.891 1101 L HN 0.381 nan 8.230 nan 0.000 0.432 1102 K N -0.472 119.946 120.400 0.031 0.000 2.026 1102 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 1102 K C 2.174 178.822 176.600 0.081 0.000 1.048 1102 K CA 1.863 58.186 56.287 0.061 0.000 0.929 1102 K CB -0.257 32.283 32.500 0.067 0.000 0.713 1102 K HN 0.524 nan 8.250 nan 0.000 0.439 1103 E N 0.466 120.709 120.200 0.071 0.000 2.097 1103 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 1103 E C 1.957 178.645 176.600 0.147 0.000 1.000 1103 E CA 1.753 58.211 56.400 0.096 0.000 0.804 1103 E CB -0.057 29.688 29.700 0.075 0.000 0.740 1103 E HN 0.374 nan 8.360 nan 0.000 0.454 1104 I N 0.339 120.980 120.570 0.117 0.000 2.252 1104 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 1104 I C 2.202 178.446 176.117 0.211 0.000 1.102 1104 I CA 0.823 62.220 61.300 0.162 0.000 1.385 1104 I CB -0.200 37.782 38.000 -0.029 0.000 1.064 1104 I HN 0.177 nan 8.210 nan 0.000 0.414 1105 L N 0.486 121.786 121.223 0.128 0.000 2.291 1105 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 1105 L C 1.970 178.934 176.870 0.156 0.000 1.120 1105 L CA 0.777 55.691 54.840 0.125 0.000 0.799 1105 L CB -0.634 41.466 42.059 0.068 0.000 0.925 1105 L HN 0.316 nan 8.230 nan 0.000 0.446 1106 N N -0.191 118.604 118.700 0.159 0.000 2.457 1106 N HA -0.031 4.709 4.740 -0.000 0.000 0.180 1106 N C 0.574 176.174 175.510 0.149 0.000 1.050 1106 N CA 0.386 53.532 53.050 0.160 0.000 0.906 1106 N CB 0.441 39.015 38.487 0.145 0.000 0.968 1106 N HN -0.026 nan 8.380 nan 0.000 0.445 1107 V N 0.699 120.716 119.914 0.171 0.000 6.016 1107 V HA -0.263 3.857 4.120 -0.000 0.000 0.265 1107 V C 0.293 176.409 176.094 0.037 0.000 0.621 1107 V CA 0.449 62.800 62.300 0.086 0.000 0.592 1107 V CB -2.392 29.454 31.823 0.038 0.000 0.298 1107 V HN 0.390 nan 8.190 nan 0.000 0.615 1108 A N 1.893 124.757 122.820 0.074 0.000 2.310 1108 A HA 0.742 5.062 4.320 -0.000 0.000 0.299 1108 A C 0.886 178.478 177.584 0.012 0.000 1.147 1108 A CA 0.145 52.210 52.037 0.047 0.000 0.818 1108 A CB 1.183 20.227 19.000 0.073 0.000 1.096 1108 A HN 0.568 nan 8.150 nan 0.000 0.495 1109 K N 1.629 122.024 120.400 -0.008 0.000 2.116 1109 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 1109 K C 0.181 176.780 176.600 -0.002 0.000 1.052 1109 K CA 1.609 57.883 56.287 -0.022 0.000 0.952 1109 K CB 0.068 32.550 32.500 -0.030 0.000 0.729 1109 K HN 0.783 nan 8.250 nan 0.000 0.446 1110 N N 2.637 121.343 118.700 0.009 0.000 2.955 1110 N HA 0.103 4.843 4.740 -0.000 0.000 0.242 1110 N C -0.556 174.969 175.510 0.025 0.000 1.123 1110 N CA -0.188 52.869 53.050 0.012 0.000 0.949 1110 N CB 0.302 38.792 38.487 0.006 0.000 1.214 1110 N HN 0.202 nan 8.380 nan 0.000 0.504 1111 M N -0.747 118.874 119.600 0.036 0.000 2.185 1111 M HA 0.291 4.771 4.480 -0.000 0.000 0.357 1111 M C 0.917 177.232 176.300 0.026 0.000 1.260 1111 M CA -0.481 54.845 55.300 0.044 0.000 1.124 1111 M CB 1.472 34.115 32.600 0.071 0.000 1.600 1111 M HN 0.041 nan 8.290 nan 0.000 0.467 1112 K N 1.176 121.589 120.400 0.022 0.000 2.032 1112 K HA -0.103 4.217 4.320 -0.000 0.000 0.218 1112 K C 0.332 176.937 176.600 0.007 0.000 1.054 1112 K CA 1.783 58.077 56.287 0.011 0.000 0.941 1112 K CB -0.409 32.097 32.500 0.009 0.000 0.720 1112 K HN 0.754 nan 8.250 nan 0.000 0.449 1113 T N 1.570 116.129 114.554 0.007 0.000 2.795 1113 T HA 0.156 4.506 4.350 -0.000 0.000 0.282 1113 T C -1.950 172.751 174.700 0.003 0.000 0.980 1113 T CA -1.442 60.658 62.100 0.001 0.000 1.012 1113 T CB 2.091 70.957 68.868 -0.004 0.000 0.936 1113 T HN 0.114 nan 8.240 nan 0.000 0.457 1114 P HA 0.157 nan 4.420 nan 0.000 0.233 1114 P C 0.605 177.891 177.300 -0.024 0.000 1.119 1114 P CA 0.133 63.230 63.100 -0.005 0.000 0.951 1114 P CB 0.386 32.084 31.700 -0.005 0.000 1.004 1115 S N -0.026 115.659 115.700 -0.024 0.000 3.051 1115 S HA -0.094 4.376 4.470 -0.000 0.000 0.670 1115 S C -0.372 174.196 174.600 -0.053 0.000 2.885 1115 S CA 1.086 59.266 58.200 -0.033 0.000 3.049 1115 S CB -0.879 62.301 63.200 -0.032 0.000 0.315 1115 S HN 0.550 nan 8.310 nan 0.000 1.696 1116 L N -0.017 121.174 121.223 -0.052 0.000 3.992 1116 L HA 0.490 4.830 4.340 -0.000 0.000 0.266 1116 L C -0.620 176.234 176.870 -0.028 0.000 1.014 1116 L CA 0.052 54.858 54.840 -0.057 0.000 1.217 1116 L CB 0.647 42.687 42.059 -0.031 0.000 1.997 1116 L HN 0.530 nan 8.230 nan 0.000 0.604 1117 T N 4.331 118.879 114.554 -0.011 0.000 2.733 1117 T HA 0.652 5.002 4.350 -0.000 0.000 0.294 1117 T C 0.048 174.731 174.700 -0.027 0.000 0.956 1117 T CA 0.031 62.111 62.100 -0.034 0.000 0.987 1117 T CB 0.980 69.858 68.868 0.017 0.000 0.920 1117 T HN 0.977 nan 8.240 nan 0.000 0.470 1118 V N 2.304 122.170 119.914 -0.081 0.000 2.370 1118 V HA 0.622 4.742 4.120 -0.000 0.000 0.283 1118 V C -0.946 175.110 176.094 -0.063 0.000 1.023 1118 V CA -1.162 61.144 62.300 0.010 0.000 0.857 1118 V CB -0.030 31.813 31.823 0.033 0.000 0.985 1118 V HN 0.654 nan 8.190 nan 0.000 0.443 1119 Y N 3.927 124.282 120.300 0.091 0.000 2.316 1119 Y HA 0.642 5.192 4.550 -0.000 0.000 0.324 1119 Y C 0.644 176.592 175.900 0.080 0.000 1.267 1119 Y CA -0.658 57.495 58.100 0.088 0.000 1.311 1119 Y CB 0.817 39.337 38.460 0.101 0.000 1.267 1119 Y HN 0.516 nan 8.280 nan 0.000 0.516 1120 L N 0.395 121.760 121.223 0.237 0.000 2.553 1120 L HA 0.122 4.462 4.340 -0.000 0.000 0.185 1120 L C 0.401 177.379 176.870 0.180 0.000 1.137 1120 L CA -0.209 54.737 54.840 0.178 0.000 0.919 1120 L CB -0.183 41.983 42.059 0.178 0.000 1.560 1120 L HN 0.600 nan 8.230 nan 0.000 0.515 1121 E N -0.699 119.612 120.200 0.185 0.000 2.242 1121 E HA 0.216 4.566 4.350 -0.000 0.000 0.275 1121 E C -1.778 174.884 176.600 0.103 0.000 1.002 1121 E CA -1.623 54.875 56.400 0.163 0.000 0.841 1121 E CB 1.319 31.164 29.700 0.242 0.000 1.109 1121 E HN 0.239 nan 8.360 nan 0.000 0.394 1122 P HA -0.330 nan 4.420 nan 0.000 0.220 1122 P C 0.956 178.226 177.300 -0.050 0.000 0.849 1122 P CA 2.251 65.345 63.100 -0.009 0.000 1.048 1122 P CB -0.078 31.605 31.700 -0.030 0.000 0.727 1123 G N -0.767 107.936 108.800 -0.162 0.000 2.511 1123 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 1123 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 1123 G C 0.262 175.063 174.900 -0.166 0.000 1.218 1123 G CA 0.666 45.631 45.100 -0.224 0.000 0.788 1123 G HN 0.437 nan 8.290 nan 0.000 0.560 1124 H N 1.412 120.507 119.070 0.041 0.000 3.282 1124 H HA 0.287 4.843 4.556 -0.000 0.000 0.242 1124 H C 0.866 176.241 175.328 0.078 0.000 0.880 1124 H CA 0.504 56.581 56.048 0.049 0.000 1.392 1124 H CB 0.075 29.860 29.762 0.037 0.000 1.525 1124 H HN 0.352 nan 8.280 nan 0.000 0.515 1125 A N 3.380 126.307 122.820 0.179 0.000 1.780 1125 A HA 0.437 4.757 4.320 -0.000 0.000 0.178 1125 A C 1.903 179.642 177.584 0.259 0.000 2.054 1125 A CA 0.342 52.493 52.037 0.191 0.000 1.289 1125 A CB -0.668 18.413 19.000 0.136 0.000 0.942 1125 A HN 0.544 nan 8.150 nan 0.000 0.659 1126 A N 0.188 123.145 122.820 0.228 0.000 2.259 1126 A HA 0.041 4.360 4.320 -0.000 0.000 0.212 1126 A C 0.369 178.106 177.584 0.255 0.000 1.178 1126 A CA 0.768 52.986 52.037 0.301 0.000 0.734 1126 A CB -0.713 18.402 19.000 0.191 0.000 0.774 1126 A HN 0.401 nan 8.150 nan 0.000 0.481 1127 D N 0.525 121.019 120.400 0.157 0.000 2.482 1127 D HA 0.053 4.693 4.640 -0.000 0.000 0.244 1127 D C 1.469 177.675 176.300 -0.155 0.000 1.242 1127 D CA 0.231 54.249 54.000 0.031 0.000 1.097 1127 D CB 0.439 41.272 40.800 0.055 0.000 1.109 1127 D HN 0.518 nan 8.370 nan 0.000 0.510 1128 Q N 2.489 122.129 119.800 -0.268 0.000 2.065 1128 Q HA -0.288 4.052 4.340 -0.000 0.000 0.213 1128 Q C 1.642 177.307 176.000 -0.557 0.000 1.012 1128 Q CA 2.212 57.608 55.803 -0.678 0.000 0.876 1128 Q CB -0.107 28.392 28.738 -0.398 0.000 0.954 1128 Q HN 0.592 nan 8.270 nan 0.000 0.413 1129 E N -1.069 118.947 120.200 -0.306 0.000 2.051 1129 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 1129 E C 2.017 178.492 176.600 -0.207 0.000 0.991 1129 E CA 1.182 57.441 56.400 -0.235 0.000 0.799 1129 E CB -0.254 29.354 29.700 -0.153 0.000 0.748 1129 E HN 0.459 nan 8.360 nan 0.000 0.449 1130 Q N 0.843 120.544 119.800 -0.166 0.000 2.242 1130 Q HA -0.264 4.076 4.340 -0.000 0.000 0.211 1130 Q C 1.670 177.589 176.000 -0.135 0.000 0.992 1130 Q CA 2.200 57.919 55.803 -0.141 0.000 0.889 1130 Q CB -0.594 28.084 28.738 -0.100 0.000 0.913 1130 Q HN 0.377 nan 8.270 nan 0.000 0.422 1131 A N 0.422 123.139 122.820 -0.172 0.000 1.835 1131 A HA -0.247 4.073 4.320 -0.000 0.000 0.215 1131 A C 1.964 179.465 177.584 -0.137 0.000 1.199 1131 A CA 1.902 53.855 52.037 -0.140 0.000 0.615 1131 A CB -0.608 18.262 19.000 -0.218 0.000 0.838 1131 A HN 0.478 nan 8.150 nan 0.000 0.444 1132 K N -0.317 119.968 120.400 -0.191 0.000 2.015 1132 K HA -0.218 4.102 4.320 -0.000 0.000 0.220 1132 K C 1.827 178.356 176.600 -0.119 0.000 1.055 1132 K CA 1.849 58.039 56.287 -0.163 0.000 0.951 1132 K CB -0.781 31.610 32.500 -0.183 0.000 0.725 1132 K HN 0.445 nan 8.250 nan 0.000 0.449 1133 L N 0.800 121.952 121.223 -0.117 0.000 2.171 1133 L HA -0.281 4.059 4.340 -0.000 0.000 0.216 1133 L C 2.311 179.137 176.870 -0.074 0.000 1.084 1133 L CA 1.379 56.163 54.840 -0.095 0.000 0.771 1133 L CB -0.641 41.356 42.059 -0.103 0.000 0.890 1133 L HN 0.299 nan 8.230 nan 0.000 0.437 1134 I N -1.840 118.690 120.570 -0.068 0.000 2.494 1134 I HA -0.144 4.026 4.170 -0.000 0.000 0.250 1134 I C 2.701 178.799 176.117 -0.032 0.000 1.112 1134 I CA 0.370 61.645 61.300 -0.042 0.000 1.438 1134 I CB -0.485 37.498 38.000 -0.028 0.000 1.111 1134 I HN 0.196 nan 8.210 nan 0.000 0.431 1135 R N 2.171 122.646 120.500 -0.042 0.000 2.122 1135 R HA -0.243 4.097 4.340 -0.000 0.000 0.236 1135 R C 2.329 178.618 176.300 -0.019 0.000 1.129 1135 R CA 2.721 58.804 56.100 -0.027 0.000 0.925 1135 R CB -0.580 29.690 30.300 -0.051 0.000 0.850 1135 R HN 0.462 nan 8.270 nan 0.000 0.431 1136 S N -0.633 115.042 115.700 -0.041 0.000 2.584 1136 S HA 0.003 4.473 4.470 -0.000 0.000 0.240 1136 S C 1.529 176.115 174.600 -0.024 0.000 0.975 1136 S CA 0.828 59.007 58.200 -0.035 0.000 0.949 1136 S CB 0.173 63.339 63.200 -0.058 0.000 0.761 1136 S HN 0.520 nan 8.310 nan 0.000 0.536 1137 A N 0.268 123.076 122.820 -0.019 0.000 2.390 1137 A HA 0.567 4.887 4.320 -0.000 0.000 0.232 1137 A C 1.617 179.203 177.584 0.004 0.000 1.233 1137 A CA -0.118 51.911 52.037 -0.013 0.000 0.907 1137 A CB -0.090 18.899 19.000 -0.019 0.000 0.967 1137 A HN 0.567 nan 8.150 nan 0.000 0.512 1138 I N -1.052 119.525 120.570 0.012 0.000 3.136 1138 I HA 0.095 4.265 4.170 -0.000 0.000 0.262 1138 I C 1.004 177.149 176.117 0.047 0.000 1.132 1138 I CA -0.094 61.222 61.300 0.026 0.000 1.450 1138 I CB -0.329 37.684 38.000 0.021 0.000 1.315 1138 I HN 0.315 nan 8.210 nan 0.000 0.460 1139 E N 2.737 122.967 120.200 0.049 0.000 2.608 1139 E HA -0.214 4.136 4.350 -0.000 0.000 0.259 1139 E C -0.168 176.490 176.600 0.097 0.000 0.951 1139 E CA 0.159 56.603 56.400 0.074 0.000 0.945 1139 E CB 0.249 29.995 29.700 0.078 0.000 0.916 1139 E HN 0.205 nan 8.360 nan 0.000 0.477 1140 H N 3.289 122.360 119.070 0.001 0.000 2.878 1140 H HA 0.202 4.757 4.556 -0.000 0.000 0.290 1140 H C -1.108 174.217 175.328 -0.006 0.000 1.065 1140 H CA 0.180 56.224 56.048 -0.006 0.000 1.477 1140 H CB 0.639 30.395 29.762 -0.009 0.000 1.484 1140 H HN 0.342 nan 8.280 nan 0.000 0.504 1141 T N 5.053 119.418 114.554 -0.316 0.000 2.812 1141 T HA 0.352 4.702 4.350 -0.000 0.000 0.282 1141 T C -0.537 173.939 174.700 -0.373 0.000 0.990 1141 T CA -0.849 61.095 62.100 -0.260 0.000 0.960 1141 T CB 0.936 69.728 68.868 -0.127 0.000 0.948 1141 T HN 0.712 nan 8.240 nan 0.000 0.438 1142 T N 1.237 115.621 114.554 -0.284 0.000 2.856 1142 T HA 0.432 4.782 4.350 -0.000 0.000 0.283 1142 T C 1.216 175.848 174.700 -0.113 0.000 1.008 1142 T CA -0.932 61.043 62.100 -0.208 0.000 0.997 1142 T CB 1.400 70.178 68.868 -0.150 0.000 0.992 1142 T HN 0.240 nan 8.240 nan 0.000 0.454 1143 L N 1.949 123.119 121.223 -0.087 0.000 2.064 1143 L HA -0.131 4.209 4.340 -0.000 0.000 0.216 1143 L C 2.489 179.334 176.870 -0.042 0.000 1.077 1143 L CA 2.020 56.825 54.840 -0.059 0.000 0.766 1143 L CB -0.857 41.180 42.059 -0.037 0.000 0.890 1143 L HN 0.937 nan 8.230 nan 0.000 0.435 1144 K N -0.815 119.565 120.400 -0.034 0.000 2.160 1144 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 1144 K C 1.957 178.544 176.600 -0.022 0.000 1.047 1144 K CA 1.554 57.829 56.287 -0.019 0.000 0.930 1144 K CB -0.199 32.295 32.500 -0.010 0.000 0.720 1144 K HN 0.655 nan 8.250 nan 0.000 0.450 1145 S N -0.624 115.055 115.700 -0.035 0.000 2.561 1145 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 1145 S C 1.490 176.074 174.600 -0.026 0.000 0.977 1145 S CA 0.658 58.840 58.200 -0.030 0.000 0.926 1145 S CB 0.269 63.445 63.200 -0.039 0.000 0.769 1145 S HN 0.230 nan 8.310 nan 0.000 0.533 1146 V N -2.845 117.051 119.914 -0.031 0.000 3.548 1146 V HA 0.308 4.428 4.120 -0.000 0.000 0.279 1146 V C 0.497 176.577 176.094 -0.022 0.000 1.446 1146 V CA -0.166 62.117 62.300 -0.029 0.000 1.023 1146 V CB -0.667 31.131 31.823 -0.041 0.000 0.820 1146 V HN 0.261 nan 8.190 nan 0.000 0.438 1147 T N 1.795 116.338 114.554 -0.019 0.000 2.884 1147 T HA 0.521 4.871 4.350 -0.000 0.000 0.298 1147 T C 1.124 175.822 174.700 -0.003 0.000 0.998 1147 T CA 0.305 62.399 62.100 -0.010 0.000 1.124 1147 T CB 1.859 70.724 68.868 -0.006 0.000 0.931 1147 T HN 0.204 nan 8.240 nan 0.000 0.531 1148 I N 1.111 121.682 120.570 0.001 0.000 2.810 1148 I HA 0.339 4.509 4.170 -0.000 0.000 0.262 1148 I C 1.087 177.212 176.117 0.013 0.000 1.131 1148 I CA 0.182 61.486 61.300 0.006 0.000 1.453 1148 I CB 0.178 38.182 38.000 0.007 0.000 1.161 1148 I HN 0.627 nan 8.210 nan 0.000 0.444 1149 A N 0.385 123.215 122.820 0.017 0.000 2.577 1149 A HA 0.565 4.885 4.320 -0.000 0.000 0.297 1149 A C -0.644 176.961 177.584 0.034 0.000 1.060 1149 A CA -0.447 51.606 52.037 0.027 0.000 0.697 1149 A CB 1.124 20.145 19.000 0.035 0.000 1.281 1149 A HN 0.109 nan 8.150 nan 0.000 0.402 1150 S N 1.240 116.964 115.700 0.039 0.000 2.501 1150 S HA 0.865 5.335 4.470 -0.000 0.000 0.301 1150 S C -0.634 174.012 174.600 0.076 0.000 1.096 1150 S CA -0.466 57.763 58.200 0.047 0.000 1.063 1150 S CB 1.507 64.727 63.200 0.034 0.000 1.042 1150 S HN 0.688 nan 8.310 nan 0.000 0.494 1151 E N 1.228 121.498 120.200 0.117 0.000 2.356 1151 E HA 0.490 4.840 4.350 -0.000 0.000 0.275 1151 E C -1.222 175.531 176.600 0.255 0.000 0.904 1151 E CA -0.701 55.823 56.400 0.207 0.000 0.757 1151 E CB 2.174 32.108 29.700 0.389 0.000 1.232 1151 E HN 0.701 nan 8.360 nan 0.000 0.442 1152 I N 2.451 123.169 120.570 0.246 0.000 2.390 1152 I HA 0.361 4.531 4.170 -0.000 0.000 0.283 1152 I C -0.939 175.408 176.117 0.383 0.000 1.016 1152 I CA -0.767 60.688 61.300 0.258 0.000 1.151 1152 I CB 0.094 38.145 38.000 0.085 0.000 1.293 1152 I HN 0.358 nan 8.210 nan 0.000 0.458 1153 Y N 4.294 124.717 120.300 0.206 0.000 2.480 1153 Y HA 0.348 4.898 4.550 -0.000 0.000 0.323 1153 Y C -0.388 175.760 175.900 0.412 0.000 1.267 1153 Y CA -0.976 57.277 58.100 0.255 0.000 1.336 1153 Y CB 0.844 39.388 38.460 0.140 0.000 1.361 1153 Y HN 0.402 nan 8.280 nan 0.000 0.518 1154 Y N 1.774 122.280 120.300 0.343 0.000 2.575 1154 Y HA 0.342 4.892 4.550 -0.000 0.000 0.326 1154 Y C -1.101 174.781 175.900 -0.030 0.000 0.979 1154 Y CA -0.803 57.309 58.100 0.020 0.000 1.286 1154 Y CB 0.391 38.773 38.460 -0.131 0.000 1.093 1154 Y HN 0.510 nan 8.280 nan 0.000 0.501 1155 D N 8.483 128.569 120.400 -0.524 0.000 2.421 1155 D HA 0.243 4.883 4.640 -0.000 0.000 0.254 1155 D C -2.318 173.654 176.300 -0.548 0.000 1.238 1155 D CA -1.576 52.186 54.000 -0.396 0.000 0.919 1155 D CB 2.480 43.195 40.800 -0.141 0.000 1.152 1155 D HN 0.306 nan 8.370 nan 0.000 0.552 1156 P HA 0.078 nan 4.420 nan 0.000 0.251 1156 P C -0.024 177.141 177.300 -0.226 0.000 1.223 1156 P CA 0.126 62.950 63.100 -0.460 0.000 0.796 1156 P CB 0.763 32.209 31.700 -0.424 0.000 1.068 1157 D N 1.859 122.158 120.400 -0.169 0.000 2.473 1157 D HA 0.153 4.793 4.640 -0.000 0.000 0.226 1157 D C -1.453 174.800 176.300 -0.077 0.000 1.089 1157 D CA -2.532 51.411 54.000 -0.094 0.000 0.883 1157 D CB 0.851 41.618 40.800 -0.056 0.000 1.029 1157 D HN 0.012 nan 8.370 nan 0.000 0.517 1158 P HA -0.081 nan 4.420 nan 0.000 0.242 1158 P C 0.248 177.523 177.300 -0.042 0.000 1.198 1158 P CA 0.417 63.471 63.100 -0.077 0.000 0.756 1158 P CB 0.206 31.837 31.700 -0.115 0.000 0.911 1159 R N -0.352 120.151 120.500 0.005 0.000 2.565 1159 R HA 0.246 4.586 4.340 -0.000 0.000 0.347 1159 R C 0.104 176.469 176.300 0.109 0.000 1.010 1159 R CA 0.087 56.246 56.100 0.099 0.000 1.126 1159 R CB 0.648 31.030 30.300 0.138 0.000 1.331 1159 R HN 0.218 nan 8.270 nan 0.000 0.552 1160 S N -1.283 114.441 115.700 0.040 0.000 2.614 1160 S HA 0.261 4.731 4.470 -0.000 0.000 0.280 1160 S C -0.815 173.784 174.600 -0.002 0.000 1.111 1160 S CA -0.870 57.350 58.200 0.034 0.000 0.847 1160 S CB 2.063 65.285 63.200 0.036 0.000 1.079 1160 S HN -0.101 nan 8.310 nan 0.000 0.452 1161 T N 1.687 116.241 114.554 -0.001 0.000 2.885 1161 T HA 0.498 4.848 4.350 -0.000 0.000 0.285 1161 T C 0.980 175.686 174.700 0.011 0.000 1.019 1161 T CA -0.638 61.454 62.100 -0.012 0.000 1.010 1161 T CB 1.622 70.470 68.868 -0.032 0.000 1.022 1161 T HN 0.727 nan 8.240 nan 0.000 0.466 1162 V N 2.265 122.198 119.914 0.031 0.000 3.510 1162 V HA 0.140 4.260 4.120 -0.000 0.000 0.270 1162 V C 0.477 176.622 176.094 0.085 0.000 1.201 1162 V CA 0.865 63.205 62.300 0.066 0.000 1.166 1162 V CB -1.243 30.643 31.823 0.105 0.000 0.825 1162 V HN 0.619 nan 8.190 nan 0.000 0.484 1163 I N 1.461 122.063 120.570 0.053 0.000 2.441 1163 I HA 0.314 4.483 4.170 -0.000 0.000 0.295 1163 I C -1.030 175.101 176.117 0.022 0.000 0.994 1163 I CA -2.097 59.232 61.300 0.048 0.000 1.144 1163 I CB 2.103 40.096 38.000 -0.012 0.000 1.314 1163 I HN -0.067 nan 8.210 nan 0.000 0.445 1164 P HA -0.167 nan 4.420 nan 0.000 0.208 1164 P C 0.939 178.246 177.300 0.011 0.000 1.200 1164 P CA 1.568 64.681 63.100 0.022 0.000 0.924 1164 P CB 0.144 31.860 31.700 0.027 0.000 0.774 1165 E N -0.044 120.161 120.200 0.009 0.000 2.312 1165 E HA -0.239 4.111 4.350 -0.000 0.000 0.209 1165 E C 1.326 177.921 176.600 -0.007 0.000 1.047 1165 E CA 1.800 58.202 56.400 0.003 0.000 0.840 1165 E CB -0.743 28.958 29.700 0.001 0.000 0.738 1165 E HN 0.383 nan 8.360 nan 0.000 0.478 1166 D N -0.167 120.221 120.400 -0.020 0.000 2.349 1166 D HA -0.009 4.631 4.640 -0.000 0.000 0.215 1166 D C 1.320 177.611 176.300 -0.015 0.000 1.016 1166 D CA 0.208 54.189 54.000 -0.031 0.000 0.870 1166 D CB 0.128 40.888 40.800 -0.065 0.000 0.917 1166 D HN 0.227 nan 8.370 nan 0.000 0.524 1167 E N 0.751 120.953 120.200 0.003 0.000 2.038 1167 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 1167 E C 1.734 178.354 176.600 0.034 0.000 1.000 1167 E CA 0.871 57.284 56.400 0.022 0.000 0.803 1167 E CB -0.048 29.669 29.700 0.029 0.000 0.750 1167 E HN 0.377 nan 8.360 nan 0.000 0.448 1168 E N 0.680 120.896 120.200 0.028 0.000 2.273 1168 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 1168 E C 1.918 178.534 176.600 0.026 0.000 1.002 1168 E CA 0.697 57.118 56.400 0.034 0.000 0.828 1168 E CB -0.058 29.657 29.700 0.025 0.000 0.747 1168 E HN 0.296 nan 8.360 nan 0.000 0.491 1169 I N 0.445 121.015 120.570 -0.000 0.000 2.439 1169 I HA -0.213 3.956 4.170 -0.000 0.000 0.251 1169 I C 2.049 178.128 176.117 -0.063 0.000 1.139 1169 I CA 0.629 61.909 61.300 -0.034 0.000 1.438 1169 I CB -0.138 37.829 38.000 -0.055 0.000 1.085 1169 I HN 0.179 nan 8.210 nan 0.000 0.427 1170 I N 0.086 120.626 120.570 -0.051 0.000 2.333 1170 I HA -0.200 3.970 4.170 -0.000 0.000 0.246 1170 I C 2.298 178.322 176.117 -0.155 0.000 1.106 1170 I CA 0.969 62.183 61.300 -0.142 0.000 1.411 1170 I CB -0.622 37.320 38.000 -0.097 0.000 1.082 1170 I HN 0.175 nan 8.210 nan 0.000 0.420 1171 Q N 1.091 120.987 119.800 0.159 0.000 2.297 1171 Q HA -0.100 4.240 4.340 -0.000 0.000 0.208 1171 Q C 2.224 178.399 176.000 0.291 0.000 0.981 1171 Q CA 1.174 57.232 55.803 0.425 0.000 0.876 1171 Q CB -0.103 28.791 28.738 0.260 0.000 0.921 1171 Q HN 0.594 nan 8.270 nan 0.000 0.446 1172 L N -1.312 119.976 121.223 0.109 0.000 2.375 1172 L HA -0.043 4.297 4.340 -0.000 0.000 0.215 1172 L C 1.882 178.774 176.870 0.036 0.000 1.108 1172 L CA 0.534 55.415 54.840 0.068 0.000 0.830 1172 L CB -0.095 41.980 42.059 0.027 0.000 0.959 1172 L HN 0.209 nan 8.230 nan 0.000 0.457 1173 H N -0.614 118.371 119.070 -0.142 0.000 2.548 1173 H HA 0.035 4.591 4.556 -0.000 0.000 0.265 1173 H C 1.800 177.029 175.328 -0.166 0.000 0.969 1173 H CA 0.552 56.482 56.048 -0.197 0.000 1.155 1173 H CB 0.100 29.698 29.762 -0.274 0.000 1.394 1173 H HN 0.138 nan 8.280 nan 0.000 0.570 1174 F N 0.511 120.435 119.950 -0.044 0.000 2.216 1174 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 1174 F C 2.334 178.060 175.800 -0.124 0.000 1.085 1174 F CA 0.998 58.956 58.000 -0.070 0.000 1.326 1174 F CB -0.440 38.541 39.000 -0.032 0.000 1.027 1174 F HN 0.194 nan 8.300 nan 0.000 0.497 1175 S N 1.284 117.008 115.700 0.040 0.000 2.917 1175 S HA -0.095 4.375 4.470 -0.000 0.000 0.251 1175 S C 0.544 175.093 174.600 -0.084 0.000 1.003 1175 S CA 0.013 58.201 58.200 -0.021 0.000 1.045 1175 S CB -1.972 61.207 63.200 -0.035 0.000 0.809 1175 S HN 0.330 nan 8.310 nan 0.000 0.545 1188 Q N 1.309 121.068 119.800 -0.069 0.000 2.193 1188 Q HA 0.661 5.001 4.340 -0.000 0.000 0.246 1188 Q C -0.879 175.101 176.000 -0.035 0.000 0.959 1188 Q CA -0.413 55.356 55.803 -0.057 0.000 0.904 1188 Q CB 1.993 30.666 28.738 -0.107 0.000 1.238 1188 Q HN 0.242 nan 8.270 nan 0.000 0.469 1189 S N 0.420 116.118 115.700 -0.003 0.000 2.646 1189 S HA 0.338 4.808 4.470 -0.000 0.000 0.276 1189 S C -1.857 172.709 174.600 -0.057 0.000 1.222 1189 S CA -1.736 56.472 58.200 0.013 0.000 1.014 1189 S CB 0.623 63.889 63.200 0.111 0.000 0.991 1189 S HN 0.486 nan 8.310 nan 0.000 0.533 1190 P HA 0.117 nan 4.420 nan 0.000 0.251 1190 P C -0.562 176.452 177.300 -0.478 0.000 1.223 1190 P CA 0.101 62.945 63.100 -0.426 0.000 0.796 1190 P CB -0.021 31.309 31.700 -0.617 0.000 1.068 1191 W N 1.230 122.497 121.300 -0.055 0.000 2.416 1191 W HA 0.351 5.011 4.660 -0.000 0.000 0.318 1191 W C 0.393 176.913 176.519 0.003 0.000 1.150 1191 W CA -0.991 56.361 57.345 0.012 0.000 1.392 1191 W CB 0.471 29.973 29.460 0.070 0.000 1.311 1191 W HN -0.105 nan 8.180 nan 0.000 0.436 1192 L N 5.166 126.568 121.223 0.297 0.000 2.399 1192 L HA 0.574 4.914 4.340 -0.000 0.000 0.266 1192 L C -0.882 176.097 176.870 0.180 0.000 1.114 1192 L CA -0.622 54.319 54.840 0.168 0.000 0.804 1192 L CB 0.770 42.887 42.059 0.097 0.000 1.146 1192 L HN 0.314 nan 8.230 nan 0.000 0.451 1193 L N 4.773 126.047 121.223 0.084 0.000 2.404 1193 L HA 0.562 4.902 4.340 -0.000 0.000 0.272 1193 L C -0.966 175.911 176.870 0.012 0.000 0.980 1193 L CA -0.324 54.553 54.840 0.062 0.000 0.836 1193 L CB 1.267 43.342 42.059 0.026 0.000 1.238 1193 L HN 0.745 nan 8.230 nan 0.000 0.408 1194 R N 5.023 125.531 120.500 0.012 0.000 2.393 1194 R HA 0.758 5.098 4.340 -0.000 0.000 0.315 1194 R C -1.722 174.574 176.300 -0.006 0.000 0.952 1194 R CA -0.488 55.587 56.100 -0.043 0.000 0.842 1194 R CB 1.005 31.202 30.300 -0.171 0.000 1.163 1194 R HN 0.737 nan 8.270 nan 0.000 0.450 1195 L N 3.219 124.436 121.223 -0.009 0.000 2.313 1195 L HA 0.472 4.812 4.340 -0.000 0.000 0.283 1195 L C -0.167 176.702 176.870 -0.003 0.000 1.013 1195 L CA -0.588 54.253 54.840 0.002 0.000 0.816 1195 L CB 1.886 43.947 42.059 0.003 0.000 1.236 1195 L HN 0.594 nan 8.230 nan 0.000 0.419 1196 E N 4.091 124.293 120.200 0.004 0.000 2.133 1196 E HA 0.515 4.865 4.350 -0.000 0.000 0.274 1196 E C -1.264 175.335 176.600 -0.001 0.000 0.930 1196 E CA -0.601 55.800 56.400 0.002 0.000 0.770 1196 E CB 1.346 31.051 29.700 0.009 0.000 1.104 1196 E HN 0.482 nan 8.360 nan 0.000 0.403 1197 L N 2.591 123.810 121.223 -0.007 0.000 2.352 1197 L HA 0.379 4.718 4.340 -0.000 0.000 0.269 1197 L C 0.293 177.157 176.870 -0.010 0.000 1.034 1197 L CA -0.908 53.924 54.840 -0.013 0.000 0.806 1197 L CB 1.057 43.101 42.059 -0.026 0.000 1.244 1197 L HN 0.487 nan 8.230 nan 0.000 0.447 1198 D N 0.546 120.939 120.400 -0.012 0.000 2.249 1198 D HA 0.159 4.799 4.640 -0.000 0.000 0.246 1198 D C 0.790 177.082 176.300 -0.013 0.000 1.114 1198 D CA -0.178 53.816 54.000 -0.009 0.000 0.854 1198 D CB 1.631 42.426 40.800 -0.008 0.000 1.132 1198 D HN 0.400 nan 8.370 nan 0.000 0.461 1199 R N 2.665 123.159 120.500 -0.010 0.000 2.080 1199 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 1199 R C 1.978 178.270 176.300 -0.012 0.000 1.137 1199 R CA 1.805 57.898 56.100 -0.012 0.000 0.943 1199 R CB -0.143 30.153 30.300 -0.008 0.000 0.846 1199 R HN 0.568 nan 8.270 nan 0.000 0.431 1200 A N 0.715 123.530 122.820 -0.009 0.000 1.892 1200 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 1200 A C 2.283 179.863 177.584 -0.007 0.000 1.188 1200 A CA 1.988 54.021 52.037 -0.007 0.000 0.631 1200 A CB -0.918 18.080 19.000 -0.003 0.000 0.822 1200 A HN 0.521 nan 8.150 nan 0.000 0.447 1201 A N -1.675 121.140 122.820 -0.007 0.000 2.178 1201 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 1201 A C 1.933 179.508 177.584 -0.016 0.000 1.157 1201 A CA 1.641 53.673 52.037 -0.007 0.000 0.689 1201 A CB -0.391 18.603 19.000 -0.010 0.000 0.787 1201 A HN 0.445 nan 8.150 nan 0.000 0.465 1202 M N -0.514 119.073 119.600 -0.022 0.000 2.510 1202 M HA 0.078 4.558 4.480 -0.000 0.000 0.256 1202 M C 1.007 177.288 176.300 -0.032 0.000 1.132 1202 M CA 0.585 55.866 55.300 -0.032 0.000 1.105 1202 M CB -0.839 31.739 32.600 -0.036 0.000 1.375 1202 M HN 0.386 nan 8.290 nan 0.000 0.477 1203 N N 0.258 118.943 118.700 -0.025 0.000 2.439 1203 N HA -0.091 4.649 4.740 -0.000 0.000 0.176 1203 N C 1.373 176.865 175.510 -0.029 0.000 1.029 1203 N CA 0.665 53.698 53.050 -0.028 0.000 0.886 1203 N CB 0.027 38.500 38.487 -0.023 0.000 1.057 1203 N HN 0.360 nan 8.380 nan 0.000 0.437 1204 D N 1.381 121.773 120.400 -0.012 0.000 2.104 1204 D HA -0.112 4.527 4.640 -0.000 0.000 0.194 1204 D C -0.161 176.132 176.300 -0.012 0.000 0.994 1204 D CA 1.139 55.141 54.000 0.004 0.000 0.830 1204 D CB 0.282 41.109 40.800 0.045 0.000 0.959 1204 D HN 0.174 nan 8.370 nan 0.000 0.452 1205 K N 1.812 122.207 120.400 -0.007 0.000 2.404 1205 K HA 0.141 4.461 4.320 -0.000 0.000 0.257 1205 K C -0.830 175.745 176.600 -0.041 0.000 1.026 1205 K CA -0.684 55.592 56.287 -0.019 0.000 0.951 1205 K CB 1.663 34.160 32.500 -0.004 0.000 1.203 1205 K HN -0.017 nan 8.250 nan 0.000 0.446 1206 D N 3.076 123.443 120.400 -0.054 0.000 2.877 1206 D HA -0.087 4.553 4.640 -0.000 0.000 0.220 1206 D C -0.364 175.900 176.300 -0.059 0.000 1.089 1206 D CA 1.263 55.228 54.000 -0.057 0.000 0.811 1206 D CB 0.469 41.232 40.800 -0.063 0.000 1.162 1206 D HN 0.367 nan 8.370 nan 0.000 0.513 1207 L N 1.918 123.104 121.223 -0.061 0.000 2.556 1207 L HA 0.282 4.622 4.340 -0.000 0.000 0.257 1207 L C -0.489 176.334 176.870 -0.079 0.000 0.955 1207 L CA -0.627 54.168 54.840 -0.075 0.000 0.850 1207 L CB 2.612 44.625 42.059 -0.078 0.000 1.398 1207 L HN 0.163 nan 8.230 nan 0.000 0.412 1208 T N 2.153 116.645 114.554 -0.103 0.000 2.879 1208 T HA 0.287 4.637 4.350 -0.000 0.000 0.290 1208 T C 1.027 175.613 174.700 -0.190 0.000 0.993 1208 T CA -0.660 61.374 62.100 -0.111 0.000 0.975 1208 T CB 1.791 70.606 68.868 -0.088 0.000 0.981 1208 T HN 0.432 nan 8.240 nan 0.000 0.439 1209 M N 1.778 121.254 119.600 -0.206 0.000 2.116 1209 M HA -0.141 4.339 4.480 -0.000 0.000 0.255 1209 M C 2.457 178.333 176.300 -0.707 0.000 1.075 1209 M CA 2.137 57.212 55.300 -0.376 0.000 1.087 1209 M CB -1.827 30.617 32.600 -0.261 0.000 1.340 1209 M HN 0.836 nan 8.290 nan 0.000 0.402 1210 G N 0.092 108.591 108.800 -0.501 0.000 2.586 1210 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 1210 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 1210 G C 1.447 176.046 174.900 -0.501 0.000 1.216 1210 G CA 1.206 46.021 45.100 -0.475 0.000 0.786 1210 G HN 0.580 nan 8.290 nan 0.000 0.583 1211 Q N -0.172 119.448 119.800 -0.300 0.000 1.998 1211 Q HA -0.166 4.174 4.340 -0.000 0.000 0.209 1211 Q C 2.833 178.657 176.000 -0.294 0.000 1.002 1211 Q CA 1.996 57.660 55.803 -0.230 0.000 0.858 1211 Q CB -0.749 27.892 28.738 -0.160 0.000 0.932 1211 Q HN 0.344 nan 8.270 nan 0.000 0.416 1212 V N 0.889 120.613 119.914 -0.316 0.000 2.238 1212 V HA -0.371 3.749 4.120 -0.000 0.000 0.253 1212 V C 2.241 178.132 176.094 -0.339 0.000 1.050 1212 V CA 2.309 64.434 62.300 -0.292 0.000 1.045 1212 V CB -1.649 29.997 31.823 -0.294 0.000 0.670 1212 V HN 0.694 nan 8.190 nan 0.000 0.469 1213 G N -1.114 107.332 108.800 -0.590 0.000 2.491 1213 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 1213 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 1213 G C 1.406 176.095 174.900 -0.352 0.000 1.180 1213 G CA 0.981 45.757 45.100 -0.539 0.000 0.774 1213 G HN 0.544 nan 8.290 nan 0.000 0.562 1214 E N 0.184 120.086 120.200 -0.496 0.000 2.200 1214 E HA -0.264 4.086 4.350 -0.000 0.000 0.211 1214 E C 2.563 179.124 176.600 -0.064 0.000 1.048 1214 E CA 1.553 57.862 56.400 -0.152 0.000 0.851 1214 E CB -0.166 29.448 29.700 -0.143 0.000 0.747 1214 E HN 0.280 nan 8.360 nan 0.000 0.462 1215 R N 0.496 120.933 120.500 -0.105 0.000 2.055 1215 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 1215 R C 2.523 178.820 176.300 -0.004 0.000 1.143 1215 R CA 1.116 57.183 56.100 -0.055 0.000 0.945 1215 R CB -0.820 29.434 30.300 -0.077 0.000 0.841 1215 R HN 0.168 nan 8.270 nan 0.000 0.429 1216 I N 0.819 121.394 120.570 0.008 0.000 2.113 1216 I HA -0.434 3.736 4.170 -0.000 0.000 0.242 1216 I C 2.410 178.671 176.117 0.239 0.000 1.057 1216 I CA 2.047 63.429 61.300 0.137 0.000 1.314 1216 I CB -0.504 37.569 38.000 0.121 0.000 1.022 1216 I HN 0.242 nan 8.210 nan 0.000 0.408 1217 K N 1.204 121.705 120.400 0.168 0.000 2.009 1217 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 1217 K C 2.116 178.816 176.600 0.167 0.000 1.049 1217 K CA 1.947 58.346 56.287 0.186 0.000 0.929 1217 K CB -0.186 32.419 32.500 0.175 0.000 0.714 1217 K HN 0.524 nan 8.250 nan 0.000 0.440 1218 Q N -0.703 119.158 119.800 0.101 0.000 2.515 1218 Q HA -0.029 4.311 4.340 -0.000 0.000 0.212 1218 Q C 0.741 176.755 176.000 0.024 0.000 0.970 1218 Q CA 1.151 56.991 55.803 0.062 0.000 0.941 1218 Q CB 0.281 29.040 28.738 0.035 0.000 0.998 1218 Q HN 0.164 nan 8.270 nan 0.000 0.518 1219 T N -0.287 114.280 114.554 0.021 0.000 2.976 1219 T HA 0.092 4.442 4.350 -0.000 0.000 0.257 1219 T C 0.678 175.208 174.700 -0.284 0.000 1.051 1219 T CA 0.655 62.658 62.100 -0.161 0.000 1.141 1219 T CB -0.020 68.694 68.868 -0.257 0.000 0.881 1219 T HN 0.331 nan 8.240 nan 0.000 0.461 1220 F N 0.733 120.696 119.950 0.021 0.000 2.622 1220 F HA 0.403 4.930 4.527 -0.000 0.000 0.288 1220 F C 1.220 177.040 175.800 0.032 0.000 1.120 1220 F CA -0.341 57.675 58.000 0.027 0.000 1.423 1220 F CB 0.051 39.070 39.000 0.031 0.000 1.127 1220 F HN -0.050 nan 8.300 nan 0.000 0.588 1221 K N -0.260 120.274 120.400 0.224 0.000 4.398 1221 K HA -0.282 4.038 4.320 -0.000 0.000 0.278 1221 K C -0.599 176.085 176.600 0.140 0.000 1.613 1221 K CA 1.077 57.450 56.287 0.143 0.000 0.649 1221 K CB -1.288 31.270 32.500 0.096 0.000 0.845 1221 K HN 0.037 nan 8.250 nan 0.000 0.613 1222 N N 2.860 121.626 118.700 0.111 0.000 2.807 1222 N HA 0.145 4.885 4.740 -0.000 0.000 0.259 1222 N C -1.106 174.461 175.510 0.095 0.000 1.149 1222 N CA 0.687 53.796 53.050 0.099 0.000 1.042 1222 N CB 0.206 38.739 38.487 0.076 0.000 1.367 1222 N HN 0.529 nan 8.380 nan 0.000 0.516 1223 D N 0.743 121.205 120.400 0.104 0.000 4.507 1223 D HA -0.027 4.613 4.640 -0.000 0.000 0.140 1223 D C -0.845 175.492 176.300 0.061 0.000 0.848 1223 D CA -0.409 53.641 54.000 0.085 0.000 0.709 1223 D CB -1.092 39.761 40.800 0.088 0.000 1.586 1223 D HN 0.221 nan 8.370 nan 0.000 0.575 1224 L N 0.677 121.939 121.223 0.065 0.000 3.096 1224 L HA 0.459 4.799 4.340 -0.000 0.000 0.242 1224 L C -2.123 174.785 176.870 0.063 0.000 0.957 1224 L CA -0.691 54.149 54.840 0.001 0.000 1.141 1224 L CB 0.750 42.700 42.059 -0.182 0.000 1.584 1224 L HN 0.019 nan 8.230 nan 0.000 0.570 1225 F N 5.298 125.214 119.950 -0.056 0.000 2.443 1225 F HA 0.751 5.278 4.527 -0.000 0.000 0.353 1225 F C -0.378 175.373 175.800 -0.082 0.000 1.101 1225 F CA 0.229 58.191 58.000 -0.064 0.000 1.226 1225 F CB 0.943 39.897 39.000 -0.078 0.000 1.140 1225 F HN 0.275 nan 8.300 nan 0.000 0.557 1226 V N 6.686 126.102 119.914 -0.830 0.000 3.049 1226 V HA 0.559 4.679 4.120 -0.000 0.000 0.309 1226 V C -0.313 175.263 176.094 -0.865 0.000 1.148 1226 V CA -0.950 60.992 62.300 -0.597 0.000 0.990 1226 V CB 2.032 33.762 31.823 -0.155 0.000 1.039 1226 V HN 0.698 nan 8.190 nan 0.000 0.430 1227 I N 1.499 121.735 120.570 -0.556 0.000 3.174 1227 I HA 0.748 4.918 4.170 -0.000 0.000 0.313 1227 I C -1.630 174.367 176.117 -0.200 0.000 1.155 1227 I CA -0.580 60.316 61.300 -0.673 0.000 0.977 1227 I CB 2.665 40.297 38.000 -0.614 0.000 1.248 1227 I HN 0.915 nan 8.210 nan 0.000 0.453 1228 W N 1.295 122.477 121.300 -0.197 0.000 3.419 1228 W HA 0.660 5.320 4.660 -0.000 0.000 0.298 1228 W C -0.585 175.883 176.519 -0.085 0.000 1.260 1228 W CA -0.883 56.387 57.345 -0.125 0.000 1.199 1228 W CB -0.095 29.301 29.460 -0.107 0.000 1.349 1228 W HN 0.593 nan 8.180 nan 0.000 0.557 1229 S N 0.500 116.323 115.700 0.204 0.000 2.618 1229 S HA 0.464 4.934 4.470 -0.000 0.000 0.254 1229 S C -0.233 174.492 174.600 0.208 0.000 1.284 1229 S CA -0.280 57.996 58.200 0.127 0.000 0.975 1229 S CB 0.688 63.931 63.200 0.072 0.000 1.022 1229 S HN 0.652 nan 8.310 nan 0.000 0.571 1230 E N -0.345 119.928 120.200 0.122 0.000 2.244 1230 E HA 0.256 4.606 4.350 -0.000 0.000 0.266 1230 E C 0.062 176.702 176.600 0.066 0.000 0.914 1230 E CA -0.704 55.765 56.400 0.115 0.000 0.794 1230 E CB 1.245 30.996 29.700 0.085 0.000 1.210 1230 E HN 0.580 nan 8.360 nan 0.000 0.414 1231 D N 1.137 121.566 120.400 0.049 0.000 2.271 1231 D HA -0.193 4.447 4.640 -0.000 0.000 0.207 1231 D C 1.158 177.468 176.300 0.017 0.000 0.983 1231 D CA 0.889 54.901 54.000 0.020 0.000 0.878 1231 D CB 0.210 41.015 40.800 0.008 0.000 0.920 1231 D HN 0.376 nan 8.370 nan 0.000 0.479 1232 N N 1.157 119.872 118.700 0.025 0.000 2.062 1232 N HA -0.104 4.636 4.740 -0.000 0.000 0.191 1232 N C 0.231 175.751 175.510 0.017 0.000 1.042 1232 N CA 0.684 53.746 53.050 0.019 0.000 0.845 1232 N CB 0.038 38.538 38.487 0.022 0.000 1.024 1232 N HN 0.063 nan 8.380 nan 0.000 0.424 1233 D N 0.852 121.266 120.400 0.023 0.000 2.567 1233 D HA -0.161 4.479 4.640 -0.000 0.000 0.228 1233 D C 0.969 177.278 176.300 0.014 0.000 1.185 1233 D CA 0.610 54.622 54.000 0.020 0.000 0.874 1233 D CB 0.403 41.218 40.800 0.025 0.000 1.219 1233 D HN 0.537 nan 8.370 nan 0.000 0.494 1234 E N 0.524 120.731 120.200 0.012 0.000 2.476 1234 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 1234 E C -0.158 176.447 176.600 0.008 0.000 1.064 1234 E CA 0.396 56.801 56.400 0.009 0.000 0.866 1234 E CB 0.327 30.032 29.700 0.008 0.000 0.952 1234 E HN 0.164 nan 8.360 nan 0.000 0.492 1235 K N 1.342 121.748 120.400 0.010 0.000 2.615 1235 K HA 0.308 4.628 4.320 -0.000 0.000 0.249 1235 K C -1.205 175.402 176.600 0.011 0.000 0.977 1235 K CA -0.491 55.801 56.287 0.008 0.000 0.833 1235 K CB 1.871 34.375 32.500 0.006 0.000 1.208 1235 K HN 0.083 nan 8.250 nan 0.000 0.443 1236 L N 5.069 126.297 121.223 0.008 0.000 2.331 1236 L HA 0.538 4.878 4.340 -0.000 0.000 0.278 1236 L C -0.042 176.835 176.870 0.010 0.000 1.106 1236 L CA -0.272 54.575 54.840 0.012 0.000 0.824 1236 L CB 0.324 42.382 42.059 -0.001 0.000 1.142 1236 L HN 0.461 nan 8.230 nan 0.000 0.443 1237 I N 4.021 124.605 120.570 0.025 0.000 2.775 1237 I HA 0.396 4.566 4.170 -0.000 0.000 0.295 1237 I C -0.917 175.226 176.117 0.044 0.000 1.287 1237 I CA -0.403 60.906 61.300 0.014 0.000 1.029 1237 I CB 3.032 41.025 38.000 -0.012 0.000 1.282 1237 I HN 0.447 nan 8.210 nan 0.000 0.426 1238 I N 4.961 125.547 120.570 0.025 0.000 2.410 1238 I HA 0.458 4.628 4.170 -0.000 0.000 0.286 1238 I C -0.419 175.695 176.117 -0.005 0.000 1.009 1238 I CA -0.509 60.821 61.300 0.050 0.000 1.111 1238 I CB 1.515 39.541 38.000 0.043 0.000 1.262 1238 I HN 0.425 nan 8.210 nan 0.000 0.443 1239 R N 4.995 125.474 120.500 -0.036 0.000 2.668 1239 R HA 0.870 5.210 4.340 -0.000 0.000 0.279 1239 R C -1.127 175.118 176.300 -0.091 0.000 0.976 1239 R CA -0.584 55.473 56.100 -0.071 0.000 0.978 1239 R CB 1.995 32.239 30.300 -0.094 0.000 1.133 1239 R HN 0.801 nan 8.270 nan 0.000 0.484 1240 C N -0.302 118.962 119.300 -0.061 0.000 3.279 1240 C HA 0.517 4.977 4.460 -0.000 0.000 0.386 1240 C C -0.842 174.146 174.990 -0.004 0.000 1.081 1240 C CA -1.385 57.596 59.018 -0.062 0.000 1.192 1240 C CB 1.275 28.955 27.740 -0.101 0.000 1.552 1240 C HN 0.916 nan 8.230 nan 0.000 0.559 1241 R N 1.267 121.794 120.500 0.046 0.000 2.919 1241 R HA 0.899 5.239 4.340 -0.000 0.000 0.260 1241 R C -0.718 175.609 176.300 0.045 0.000 1.067 1241 R CA -0.721 55.418 56.100 0.065 0.000 1.003 1241 R CB 1.757 32.107 30.300 0.084 0.000 1.192 1241 R HN 0.611 nan 8.270 nan 0.000 0.488 1242 V N 1.018 120.963 119.914 0.052 0.000 3.036 1242 V HA 0.458 4.578 4.120 -0.000 0.000 0.308 1242 V C -0.149 175.973 176.094 0.048 0.000 1.070 1242 V CA -0.489 61.831 62.300 0.034 0.000 1.056 1242 V CB 1.707 33.559 31.823 0.048 0.000 1.084 1242 V HN 0.411 nan 8.190 nan 0.000 0.471 1243 V N 2.861 122.800 119.914 0.042 0.000 2.932 1243 V HA 0.672 4.791 4.120 -0.000 0.000 0.307 1243 V C -0.434 175.682 176.094 0.036 0.000 1.147 1243 V CA -0.775 61.547 62.300 0.036 0.000 0.951 1243 V CB 2.190 34.035 31.823 0.036 0.000 1.031 1243 V HN 0.919 nan 8.190 nan 0.000 0.426 1244 R N 1.889 122.406 120.500 0.028 0.000 2.734 1244 R HA 0.608 4.947 4.340 -0.000 0.000 0.271 1244 R C -2.636 173.674 176.300 0.017 0.000 1.021 1244 R CA -1.591 54.525 56.100 0.027 0.000 0.893 1244 R CB 1.649 31.969 30.300 0.033 0.000 1.244 1244 R HN 0.576 nan 8.270 nan 0.000 0.464 1255 E N 0.364 120.606 120.200 0.070 0.000 2.346 1255 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 1255 E C 0.543 177.172 176.600 0.049 0.000 1.331 1255 E CA 0.729 57.161 56.400 0.052 0.000 0.668 1255 E CB -0.712 28.988 29.700 0.000 0.000 1.157 1255 E HN 0.767 nan 8.360 nan 0.000 0.393 1256 E N 0.473 120.708 120.200 0.058 0.000 2.122 1256 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 1256 E C 1.196 177.685 176.600 -0.184 0.000 0.977 1256 E CA 0.629 57.042 56.400 0.022 0.000 0.820 1256 E CB 0.110 29.962 29.700 0.254 0.000 0.770 1256 E HN 0.417 nan 8.360 nan 0.000 0.462 1257 D N 0.514 120.648 120.400 -0.443 0.000 2.117 1257 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 1257 D C 1.926 178.091 176.300 -0.224 0.000 0.987 1257 D CA 0.982 54.659 54.000 -0.538 0.000 0.829 1257 D CB -0.217 40.177 40.800 -0.676 0.000 0.961 1257 D HN 0.221 nan 8.370 nan 0.000 0.460 1258 H N 0.565 119.525 119.070 -0.183 0.000 2.387 1258 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 1258 H C 1.996 177.280 175.328 -0.073 0.000 1.090 1258 H CA 0.933 56.919 56.048 -0.104 0.000 1.332 1258 H CB -0.032 29.690 29.762 -0.067 0.000 1.386 1258 H HN 0.151 nan 8.280 nan 0.000 0.516 1259 M N -0.105 119.560 119.600 0.108 0.000 2.248 1259 M HA -0.077 4.402 4.480 -0.000 0.000 0.265 1259 M C 1.231 177.543 176.300 0.021 0.000 1.079 1259 M CA 0.560 55.905 55.300 0.075 0.000 1.150 1259 M CB 0.069 32.701 32.600 0.054 0.000 1.366 1259 M HN 0.156 nan 8.290 nan 0.000 0.433 1260 L N 1.300 122.506 121.223 -0.028 0.000 2.855 1260 L HA 0.012 4.351 4.340 -0.000 0.000 0.257 1260 L C 0.966 177.805 176.870 -0.052 0.000 1.206 1260 L CA 1.233 56.048 54.840 -0.041 0.000 1.042 1260 L CB -1.108 40.922 42.059 -0.049 0.000 1.321 1260 L HN 0.266 nan 8.230 nan 0.000 0.417 1261 K N -1.759 118.618 120.400 -0.039 0.000 2.585 1261 K HA 0.148 4.468 4.320 -0.000 0.000 0.210 1261 K C 1.675 178.270 176.600 -0.008 0.000 1.504 1261 K CA -0.018 56.242 56.287 -0.046 0.000 1.029 1261 K CB 0.466 32.904 32.500 -0.103 0.000 1.332 1261 K HN 0.177 nan 8.250 nan 0.000 0.569 1262 K N 0.632 121.044 120.400 0.020 0.000 2.217 1262 K HA 0.074 4.394 4.320 -0.000 0.000 0.202 1262 K C 1.521 178.167 176.600 0.076 0.000 1.051 1262 K CA 0.938 57.255 56.287 0.051 0.000 0.952 1262 K CB 0.225 32.770 32.500 0.075 0.000 0.736 1262 K HN 0.152 nan 8.250 nan 0.000 0.453 1263 I N 0.693 121.305 120.570 0.070 0.000 3.226 1263 I HA -0.116 4.054 4.170 -0.000 0.000 0.277 1263 I C 2.232 178.399 176.117 0.084 0.000 1.243 1263 I CA 0.460 61.824 61.300 0.108 0.000 1.459 1263 I CB 0.033 38.033 38.000 0.000 0.000 1.093 1263 I HN 0.145 nan 8.210 nan 0.000 0.453 1264 E N 1.974 122.198 120.200 0.040 0.000 2.077 1264 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 1264 E C 1.728 178.357 176.600 0.048 0.000 0.989 1264 E CA 1.736 58.155 56.400 0.031 0.000 0.800 1264 E CB -0.056 29.648 29.700 0.007 0.000 0.746 1264 E HN 0.366 nan 8.360 nan 0.000 0.452 1265 N N -0.331 118.399 118.700 0.050 0.000 2.197 1265 N HA -0.050 4.690 4.740 -0.000 0.000 0.184 1265 N C 1.720 177.270 175.510 0.067 0.000 1.030 1265 N CA 1.796 54.874 53.050 0.048 0.000 0.851 1265 N CB -0.806 37.701 38.487 0.034 0.000 1.003 1265 N HN 0.206 nan 8.380 nan 0.000 0.430 1266 T N 1.736 116.346 114.554 0.094 0.000 2.848 1266 T HA -0.095 4.254 4.350 -0.000 0.000 0.269 1266 T C 1.819 176.584 174.700 0.108 0.000 1.081 1266 T CA 0.991 63.149 62.100 0.096 0.000 1.125 1266 T CB -0.059 68.897 68.868 0.146 0.000 0.848 1266 T HN 0.232 nan 8.240 nan 0.000 0.503 1267 M N -0.305 119.387 119.600 0.154 0.000 2.435 1267 M HA 0.203 4.683 4.480 -0.000 0.000 0.265 1267 M C 1.747 178.086 176.300 0.066 0.000 1.104 1267 M CA 0.928 56.316 55.300 0.147 0.000 1.140 1267 M CB -0.024 32.674 32.600 0.164 0.000 1.372 1267 M HN 0.248 nan 8.290 nan 0.000 0.456 1268 L N -0.957 120.295 121.223 0.049 0.000 2.477 1268 L HA -0.012 4.328 4.340 -0.000 0.000 0.220 1268 L C 1.278 178.159 176.870 0.017 0.000 1.106 1268 L CA 0.762 55.617 54.840 0.025 0.000 0.851 1268 L CB 0.052 42.124 42.059 0.022 0.000 0.994 1268 L HN 0.300 nan 8.230 nan 0.000 0.462 1269 E N -1.526 118.687 120.200 0.022 0.000 2.603 1269 E HA 0.098 4.447 4.350 -0.000 0.000 0.218 1269 E C 0.570 177.183 176.600 0.023 0.000 0.878 1269 E CA -0.138 56.276 56.400 0.023 0.000 1.348 1269 E CB 0.579 30.294 29.700 0.025 0.000 1.318 1269 E HN 0.226 nan 8.360 nan 0.000 0.673 1270 N N 0.934 119.640 118.700 0.009 0.000 2.295 1270 N HA 0.229 4.969 4.740 -0.000 0.000 0.221 1270 N C -0.627 174.861 175.510 -0.035 0.000 1.129 1270 N CA 0.334 53.378 53.050 -0.010 0.000 0.836 1270 N CB 1.158 39.630 38.487 -0.026 0.000 1.040 1270 N HN 0.138 nan 8.380 nan 0.000 0.494 1271 I N 0.578 121.134 120.570 -0.024 0.000 2.499 1271 I HA 0.184 4.354 4.170 -0.000 0.000 0.288 1271 I C -0.648 175.439 176.117 -0.051 0.000 1.048 1271 I CA -0.234 61.039 61.300 -0.045 0.000 1.062 1271 I CB 1.984 39.960 38.000 -0.040 0.000 1.238 1271 I HN -0.199 nan 8.210 nan 0.000 0.426 1272 T N 6.623 121.146 114.554 -0.052 0.000 2.888 1272 T HA 0.463 4.813 4.350 -0.000 0.000 0.284 1272 T C 0.388 175.030 174.700 -0.095 0.000 1.017 1272 T CA -0.452 61.592 62.100 -0.094 0.000 1.022 1272 T CB 2.372 71.246 68.868 0.010 0.000 1.013 1272 T HN 0.264 nan 8.240 nan 0.000 0.465 1273 L N 0.983 122.127 121.223 -0.131 0.000 2.630 1273 L HA 0.483 4.823 4.340 -0.000 0.000 0.180 1273 L C 1.010 177.832 176.870 -0.080 0.000 1.221 1273 L CA 0.847 55.625 54.840 -0.103 0.000 0.853 1273 L CB -0.234 41.757 42.059 -0.114 0.000 1.172 1273 L HN 0.400 nan 8.230 nan 0.000 0.508 1274 R N -1.056 119.393 120.500 -0.085 0.000 2.803 1274 R HA 0.606 4.946 4.340 -0.000 0.000 0.276 1274 R C -0.702 175.587 176.300 -0.019 0.000 0.978 1274 R CA -0.121 55.950 56.100 -0.047 0.000 0.939 1274 R CB 1.753 32.024 30.300 -0.047 0.000 1.179 1274 R HN 0.357 nan 8.270 nan 0.000 0.472 1275 G N 0.119 108.934 108.800 0.025 0.000 2.603 1275 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.686 1275 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.686 1275 G C -1.467 173.508 174.900 0.124 0.000 1.286 1275 G CA -0.923 44.226 45.100 0.082 0.000 0.871 1275 G HN 0.433 nan 8.290 nan 0.000 0.568 1276 V N 0.855 120.832 119.914 0.105 0.000 2.555 1276 V HA 0.602 4.722 4.120 -0.000 0.000 0.302 1276 V C 0.887 176.966 176.094 -0.024 0.000 1.038 1276 V CA -0.123 62.207 62.300 0.050 0.000 0.887 1276 V CB 1.407 33.240 31.823 0.017 0.000 0.991 1276 V HN 1.275 nan 8.190 nan 0.000 0.434 1277 E N 4.338 124.462 120.200 -0.127 0.000 2.516 1277 E HA -0.097 4.253 4.350 -0.000 0.000 0.270 1277 E C 0.589 177.036 176.600 -0.256 0.000 1.130 1277 E CA 0.468 56.653 56.400 -0.358 0.000 1.023 1277 E CB 0.021 29.576 29.700 -0.243 0.000 1.004 1277 E HN 0.659 nan 8.360 nan 0.000 0.463 1278 N N -0.544 117.978 118.700 -0.298 0.000 2.626 1278 N HA -0.262 4.478 4.740 -0.000 0.000 0.225 1278 N C 0.048 175.497 175.510 -0.101 0.000 0.854 1278 N CA 2.016 54.972 53.050 -0.157 0.000 1.911 1278 N CB -1.290 37.139 38.487 -0.096 0.000 0.892 1278 N HN 0.604 nan 8.380 nan 0.000 0.558 1279 I N 3.055 123.575 120.570 -0.083 0.000 2.455 1279 I HA -0.016 4.154 4.170 -0.000 0.000 0.303 1279 I C 1.435 177.564 176.117 0.021 0.000 1.180 1279 I CA 0.448 61.736 61.300 -0.021 0.000 1.469 1279 I CB -0.025 37.973 38.000 -0.003 0.000 1.480 1279 I HN 0.161 nan 8.210 nan 0.000 0.669 1280 E N 5.904 126.113 120.200 0.016 0.000 3.994 1280 E HA 0.178 4.528 4.350 -0.000 0.000 0.569 1280 E C 0.393 177.008 176.600 0.025 0.000 0.320 1280 E CA -0.659 55.764 56.400 0.038 0.000 3.540 1280 E CB 0.255 29.966 29.700 0.018 0.000 2.366 1280 E HN 0.475 nan 8.360 nan 0.000 0.353 1281 R N 0.059 120.554 120.500 -0.009 0.000 2.531 1281 R HA -0.048 4.292 4.340 -0.000 0.000 0.273 1281 R C -0.822 175.483 176.300 0.010 0.000 0.974 1281 R CA 0.223 56.299 56.100 -0.040 0.000 1.088 1281 R CB -0.133 30.123 30.300 -0.073 0.000 0.880 1281 R HN 0.108 nan 8.270 nan 0.000 0.426 1282 V N 2.782 122.728 119.914 0.052 0.000 2.624 1282 V HA 0.211 4.331 4.120 -0.000 0.000 0.294 1282 V C -0.315 175.867 176.094 0.147 0.000 1.077 1282 V CA -0.783 61.568 62.300 0.085 0.000 0.905 1282 V CB 1.819 33.694 31.823 0.087 0.000 1.025 1282 V HN 0.512 nan 8.190 nan 0.000 0.440 1283 V N 4.803 124.774 119.914 0.095 0.000 2.975 1283 V HA 0.599 4.719 4.120 -0.000 0.000 0.318 1283 V C 0.123 176.257 176.094 0.067 0.000 1.077 1283 V CA -0.771 61.598 62.300 0.115 0.000 1.000 1283 V CB 2.189 34.064 31.823 0.085 0.000 1.066 1283 V HN 0.777 nan 8.190 nan 0.000 0.452 1284 M N 2.875 122.533 119.600 0.098 0.000 2.598 1284 M HA 0.673 5.153 4.480 -0.000 0.000 0.317 1284 M C -0.914 175.454 176.300 0.114 0.000 1.201 1284 M CA -0.410 54.974 55.300 0.140 0.000 0.971 1284 M CB 1.783 34.529 32.600 0.244 0.000 1.657 1284 M HN 0.389 nan 8.290 nan 0.000 0.470 1285 M N 1.669 121.284 119.600 0.025 0.000 2.325 1285 M HA 0.265 4.744 4.480 -0.000 0.000 0.285 1285 M C -1.323 174.695 176.300 -0.471 0.000 1.119 1285 M CA -0.508 54.658 55.300 -0.224 0.000 0.959 1285 M CB 2.383 34.769 32.600 -0.357 0.000 1.737 1285 M HN 0.582 nan 8.290 nan 0.000 0.486 1286 K N 3.193 123.237 120.400 -0.593 0.000 2.231 1286 K HA 0.380 4.700 4.320 -0.000 0.000 0.255 1286 K C -1.139 175.343 176.600 -0.197 0.000 1.108 1286 K CA -0.028 55.829 56.287 -0.716 0.000 0.997 1286 K CB 0.349 32.265 32.500 -0.974 0.000 1.549 1286 K HN 0.583 nan 8.250 nan 0.000 0.419 1287 Y N 1.232 121.421 120.300 -0.184 0.000 2.314 1287 Y HA 0.035 4.585 4.550 -0.000 0.000 0.334 1287 Y C 0.709 176.580 175.900 -0.049 0.000 1.266 1287 Y CA -1.085 56.973 58.100 -0.070 0.000 1.391 1287 Y CB 0.884 39.354 38.460 0.015 0.000 1.306 1287 Y HN 0.399 nan 8.280 nan 0.000 0.558 1288 D N 2.817 123.295 120.400 0.130 0.000 2.280 1288 D HA 0.156 4.796 4.640 -0.000 0.000 0.243 1288 D C -0.404 175.951 176.300 0.093 0.000 1.129 1288 D CA -0.074 53.968 54.000 0.070 0.000 0.848 1288 D CB 1.275 42.093 40.800 0.031 0.000 1.107 1288 D HN 0.364 nan 8.370 nan 0.000 0.471 1289 R N 2.911 123.469 120.500 0.097 0.000 2.468 1289 R HA 0.160 4.500 4.340 -0.000 0.000 0.302 1289 R C -0.455 175.901 176.300 0.093 0.000 1.041 1289 R CA -0.660 55.504 56.100 0.106 0.000 0.899 1289 R CB 0.986 31.365 30.300 0.132 0.000 1.167 1289 R HN 0.241 nan 8.270 nan 0.000 0.483 1290 K N 2.079 122.546 120.400 0.112 0.000 2.319 1290 K HA 0.325 4.645 4.320 -0.000 0.000 0.265 1290 K C -0.547 176.139 176.600 0.144 0.000 1.000 1290 K CA -0.134 56.247 56.287 0.157 0.000 0.943 1290 K CB 1.318 33.953 32.500 0.225 0.000 0.950 1290 K HN 0.242 nan 8.250 nan 0.000 0.485 1291 V N 2.492 122.443 119.914 0.063 0.000 3.278 1291 V HA 0.134 4.253 4.120 -0.000 0.000 0.288 1291 V C -2.670 173.168 176.094 -0.427 0.000 1.514 1291 V CA -1.680 60.522 62.300 -0.163 0.000 1.051 1291 V CB 2.382 34.157 31.823 -0.080 0.000 1.163 1291 V HN 0.608 nan 8.190 nan 0.000 0.458 1292 P HA 0.143 nan 4.420 nan 0.000 0.263 1292 P C -0.349 176.805 177.300 -0.243 0.000 1.247 1292 P CA 0.633 63.432 63.100 -0.501 0.000 0.876 1292 P CB 0.355 31.821 31.700 -0.391 0.000 0.928 1293 S N 5.512 121.105 115.700 -0.179 0.000 2.584 1293 S HA 0.142 4.612 4.470 -0.000 0.000 0.270 1293 S C -0.745 173.808 174.600 -0.078 0.000 1.346 1293 S CA -1.304 56.843 58.200 -0.089 0.000 1.018 1293 S CB -0.040 63.133 63.200 -0.045 0.000 0.899 1293 S HN 0.302 nan 8.310 nan 0.000 0.542 1294 P HA -0.102 nan 4.420 nan 0.000 0.217 1294 P C 1.437 178.719 177.300 -0.031 0.000 1.150 1294 P CA 1.495 64.570 63.100 -0.042 0.000 0.832 1294 P CB -0.460 31.224 31.700 -0.027 0.000 0.787 1295 T N -2.700 111.843 114.554 -0.019 0.000 3.051 1295 T HA 0.124 4.474 4.350 -0.000 0.000 0.269 1295 T C 1.482 176.181 174.700 -0.001 0.000 1.127 1295 T CA 1.938 64.036 62.100 -0.003 0.000 1.107 1295 T CB -0.742 68.130 68.868 0.008 0.000 0.898 1295 T HN 0.331 nan 8.240 nan 0.000 0.517 1296 G N 0.339 109.126 108.800 -0.022 0.000 2.391 1296 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.204 1296 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.204 1296 G C -0.033 174.870 174.900 0.005 0.000 1.012 1296 G CA -0.021 45.068 45.100 -0.019 0.000 0.651 1296 G HN 0.645 nan 8.290 nan 0.000 0.494 1297 E N -0.432 119.784 120.200 0.027 0.000 2.455 1297 E HA 0.412 4.762 4.350 -0.000 0.000 0.259 1297 E C -0.699 175.941 176.600 0.066 0.000 1.245 1297 E CA 0.006 56.451 56.400 0.075 0.000 1.013 1297 E CB 0.572 30.308 29.700 0.060 0.000 0.978 1297 E HN 0.320 nan 8.360 nan 0.000 0.479 1298 Y N -0.037 120.269 120.300 0.010 0.000 2.328 1298 Y HA 0.378 4.928 4.550 -0.000 0.000 0.337 1298 Y C -0.518 175.390 175.900 0.013 0.000 0.966 1298 Y CA -0.457 57.649 58.100 0.010 0.000 1.136 1298 Y CB 1.221 39.689 38.460 0.014 0.000 1.170 1298 Y HN 0.159 nan 8.280 nan 0.000 0.470 1299 V N 3.033 123.003 119.914 0.093 0.000 3.130 1299 V HA 0.365 4.485 4.120 -0.000 0.000 0.310 1299 V C -0.985 175.149 176.094 0.066 0.000 1.158 1299 V CA -1.959 60.387 62.300 0.077 0.000 1.029 1299 V CB 2.347 34.194 31.823 0.041 0.000 1.057 1299 V HN 0.506 nan 8.190 nan 0.000 0.436 1300 K N 2.043 122.477 120.400 0.057 0.000 2.351 1300 K HA 0.195 4.515 4.320 -0.000 0.000 0.287 1300 K C -0.058 176.565 176.600 0.038 0.000 1.068 1300 K CA 0.355 56.671 56.287 0.049 0.000 0.998 1300 K CB 0.344 32.868 32.500 0.039 0.000 0.968 1300 K HN 0.658 nan 8.250 nan 0.000 0.464 1301 E N 5.193 125.417 120.200 0.040 0.000 3.406 1301 E HA 0.129 4.478 4.350 -0.000 0.000 0.210 1301 E C -2.186 174.440 176.600 0.044 0.000 1.167 1301 E CA -2.189 54.232 56.400 0.035 0.000 1.132 1301 E CB 0.505 30.220 29.700 0.025 0.000 1.309 1301 E HN 0.362 nan 8.360 nan 0.000 0.424 1302 P HA -0.125 nan 4.420 nan 0.000 0.271 1302 P C -0.692 176.621 177.300 0.021 0.000 1.212 1302 P CA 0.647 63.756 63.100 0.014 0.000 0.788 1302 P CB 0.535 32.211 31.700 -0.041 0.000 0.865 1303 E N -0.723 119.479 120.200 0.003 0.000 2.372 1303 E HA 0.412 4.761 4.350 -0.000 0.000 0.279 1303 E C -1.583 174.989 176.600 -0.046 0.000 0.946 1303 E CA -0.979 55.453 56.400 0.054 0.000 0.769 1303 E CB 0.516 30.305 29.700 0.149 0.000 1.230 1303 E HN 0.252 nan 8.360 nan 0.000 0.442 1304 W N 1.717 123.024 121.300 0.011 0.000 2.261 1304 W HA 0.525 5.185 4.660 -0.000 0.000 0.323 1304 W C -0.489 175.966 176.519 -0.107 0.000 1.243 1304 W CA -0.035 57.275 57.345 -0.058 0.000 1.210 1304 W CB 1.442 30.878 29.460 -0.040 0.000 1.149 1304 W HN 0.328 nan 8.180 nan 0.000 0.562 1305 V N 3.724 123.622 119.914 -0.027 0.000 3.147 1305 V HA 0.415 4.535 4.120 -0.000 0.000 0.306 1305 V C -0.451 175.527 176.094 -0.194 0.000 1.209 1305 V CA -1.384 60.805 62.300 -0.185 0.000 1.023 1305 V CB 1.870 33.407 31.823 -0.477 0.000 1.059 1305 V HN 0.268 nan 8.190 nan 0.000 0.435 1306 L N 2.090 123.217 121.223 -0.161 0.000 2.307 1306 L HA 0.637 4.977 4.340 -0.000 0.000 0.282 1306 L C -0.089 176.709 176.870 -0.120 0.000 1.051 1306 L CA -0.366 54.414 54.840 -0.100 0.000 0.804 1306 L CB 1.216 43.248 42.059 -0.045 0.000 1.197 1306 L HN 0.621 nan 8.230 nan 0.000 0.431 1307 E N 1.309 121.468 120.200 -0.068 0.000 2.187 1307 E HA 0.340 4.690 4.350 -0.000 0.000 0.268 1307 E C -0.612 175.981 176.600 -0.011 0.000 0.896 1307 E CA -0.422 55.956 56.400 -0.037 0.000 0.766 1307 E CB 2.814 32.508 29.700 -0.010 0.000 1.142 1307 E HN 0.540 nan 8.360 nan 0.000 0.408 1308 T N 0.377 114.925 114.554 -0.010 0.000 2.973 1308 T HA 0.139 4.489 4.350 -0.000 0.000 0.308 1308 T C -0.213 174.485 174.700 -0.003 0.000 1.177 1308 T CA -0.096 62.003 62.100 -0.002 0.000 0.938 1308 T CB 0.519 69.384 68.868 -0.006 0.000 1.791 1308 T HN 0.478 nan 8.240 nan 0.000 0.581 1309 D N -0.637 119.759 120.400 -0.005 0.000 3.244 1309 D HA 0.278 4.918 4.640 -0.000 0.000 0.292 1309 D C -0.319 175.975 176.300 -0.011 0.000 1.652 1309 D CA 0.022 54.017 54.000 -0.009 0.000 0.803 1309 D CB 0.018 40.812 40.800 -0.010 0.000 1.390 1309 D HN 0.785 nan 8.370 nan 0.000 0.528 1310 G N -0.574 108.218 108.800 -0.013 0.000 2.506 1310 G HA2 0.476 4.436 3.960 -0.000 0.000 0.292 1310 G HA3 0.476 4.436 3.960 -0.000 0.000 0.292 1310 G C -1.756 173.134 174.900 -0.018 0.000 1.425 1310 G CA -0.374 44.714 45.100 -0.019 0.000 0.788 1310 G HN -0.017 nan 8.290 nan 0.000 0.490 1311 V N 1.595 121.497 119.914 -0.020 0.000 2.532 1311 V HA 0.540 4.659 4.120 -0.000 0.000 0.294 1311 V C -0.787 175.299 176.094 -0.015 0.000 1.036 1311 V CA -0.957 61.334 62.300 -0.015 0.000 0.876 1311 V CB 1.672 33.488 31.823 -0.010 0.000 1.012 1311 V HN 0.759 nan 8.190 nan 0.000 0.432 1312 N N 4.293 122.987 118.700 -0.010 0.000 2.750 1312 N HA 0.171 4.911 4.740 -0.000 0.000 0.253 1312 N C 0.418 175.931 175.510 0.005 0.000 1.408 1312 N CA -0.374 52.670 53.050 -0.009 0.000 0.780 1312 N CB 1.571 40.045 38.487 -0.022 0.000 1.191 1312 N HN 0.545 nan 8.380 nan 0.000 0.511 1313 L N 2.866 124.098 121.223 0.014 0.000 1.944 1313 L HA -0.158 4.182 4.340 -0.000 0.000 0.218 1313 L C 2.303 179.190 176.870 0.029 0.000 1.075 1313 L CA 2.510 57.367 54.840 0.029 0.000 0.767 1313 L CB -1.149 40.934 42.059 0.041 0.000 0.890 1313 L HN 0.601 nan 8.230 nan 0.000 0.434 1314 S N -1.688 114.026 115.700 0.023 0.000 2.478 1314 S HA -0.275 4.195 4.470 -0.000 0.000 0.256 1314 S C 1.502 176.113 174.600 0.019 0.000 1.003 1314 S CA 1.875 60.088 58.200 0.021 0.000 0.976 1314 S CB -0.648 62.561 63.200 0.014 0.000 0.751 1314 S HN 0.758 nan 8.310 nan 0.000 0.513 1315 E N -0.093 120.117 120.200 0.017 0.000 2.444 1315 E HA 0.153 4.503 4.350 -0.000 0.000 0.203 1315 E C 1.630 178.241 176.600 0.020 0.000 0.847 1315 E CA 0.498 56.907 56.400 0.015 0.000 1.142 1315 E CB 0.139 29.843 29.700 0.007 0.000 1.125 1315 E HN 0.340 nan 8.360 nan 0.000 0.521 1316 V N 1.988 121.914 119.914 0.021 0.000 3.186 1316 V HA -0.193 3.927 4.120 -0.000 0.000 0.270 1316 V C 2.088 178.204 176.094 0.037 0.000 1.149 1316 V CA 1.304 63.619 62.300 0.026 0.000 1.160 1316 V CB -0.496 31.342 31.823 0.026 0.000 0.758 1316 V HN 0.300 nan 8.190 nan 0.000 0.516 1317 M N 0.973 120.596 119.600 0.039 0.000 2.287 1317 M HA -0.076 4.404 4.480 -0.000 0.000 0.266 1317 M C 2.183 178.508 176.300 0.041 0.000 1.079 1317 M CA 1.752 57.081 55.300 0.048 0.000 1.146 1317 M CB -0.028 32.603 32.600 0.051 0.000 1.374 1317 M HN 0.548 nan 8.290 nan 0.000 0.435 1318 T N -1.153 113.420 114.554 0.032 0.000 3.284 1318 T HA 0.133 4.483 4.350 -0.000 0.000 0.252 1318 T C 0.305 175.020 174.700 0.025 0.000 1.144 1318 T CA -0.206 61.910 62.100 0.027 0.000 1.021 1318 T CB -0.928 67.953 68.868 0.021 0.000 0.984 1318 T HN 0.076 nan 8.240 nan 0.000 0.545 1319 V N 4.223 124.154 119.914 0.028 0.000 2.546 1319 V HA 0.367 4.487 4.120 -0.000 0.000 0.284 1319 V C -1.822 174.288 176.094 0.026 0.000 1.050 1319 V CA -2.093 60.221 62.300 0.023 0.000 0.981 1319 V CB 1.217 33.053 31.823 0.021 0.000 0.990 1319 V HN 0.393 nan 8.190 nan 0.000 0.474 1320 P HA 0.338 nan 4.420 nan 0.000 0.276 1320 P C 0.578 177.886 177.300 0.013 0.000 1.235 1320 P CA 0.614 63.725 63.100 0.018 0.000 0.772 1320 P CB 1.364 33.068 31.700 0.007 0.000 0.871 1321 G N 3.063 111.882 108.800 0.032 0.000 2.316 1321 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.203 1321 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.203 1321 G C 0.098 175.042 174.900 0.073 0.000 0.999 1321 G CA 0.114 45.231 45.100 0.029 0.000 0.649 1321 G HN 0.698 nan 8.290 nan 0.000 0.489 1322 I N -1.360 119.254 120.570 0.074 0.000 2.822 1322 I HA 0.778 4.948 4.170 -0.000 0.000 0.312 1322 I C -0.960 175.222 176.117 0.108 0.000 1.011 1322 I CA -1.094 60.266 61.300 0.100 0.000 1.105 1322 I CB 1.924 39.978 38.000 0.091 0.000 1.291 1322 I HN -0.080 nan 8.210 nan 0.000 0.474 1323 D N 5.055 125.536 120.400 0.135 0.000 2.428 1323 D HA 0.268 4.908 4.640 -0.000 0.000 0.221 1323 D C -1.910 174.455 176.300 0.107 0.000 1.123 1323 D CA -2.024 52.042 54.000 0.111 0.000 0.869 1323 D CB 1.275 42.142 40.800 0.112 0.000 1.032 1323 D HN 0.399 nan 8.370 nan 0.000 0.506 1324 P HA 0.056 nan 4.420 nan 0.000 0.269 1324 P C 0.388 177.727 177.300 0.064 0.000 1.461 1324 P CA 0.121 63.267 63.100 0.075 0.000 0.809 1324 P CB 0.303 32.037 31.700 0.058 0.000 1.503 1325 T N -0.938 113.652 114.554 0.059 0.000 3.041 1325 T HA 0.222 4.572 4.350 -0.000 0.000 0.276 1325 T C 1.212 175.924 174.700 0.020 0.000 0.948 1325 T CA -0.011 62.107 62.100 0.031 0.000 0.885 1325 T CB 0.392 69.263 68.868 0.006 0.000 1.175 1325 T HN 0.185 nan 8.240 nan 0.000 0.529 1326 R N 0.243 120.774 120.500 0.053 0.000 2.549 1326 R HA 0.436 4.776 4.340 -0.000 0.000 0.361 1326 R C 0.095 176.545 176.300 0.250 0.000 0.969 1326 R CA -0.219 55.889 56.100 0.013 0.000 1.158 1326 R CB 0.961 31.129 30.300 -0.221 0.000 1.456 1326 R HN 0.284 nan 8.270 nan 0.000 0.540 1327 I N 1.816 122.546 120.570 0.268 0.000 2.533 1327 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 1327 I C -1.047 175.283 176.117 0.355 0.000 1.109 1327 I CA -0.042 61.448 61.300 0.317 0.000 1.412 1327 I CB 0.292 38.413 38.000 0.201 0.000 1.396 1327 I HN 0.012 nan 8.210 nan 0.000 0.543 1328 Y N 6.383 126.810 120.300 0.212 0.000 2.406 1328 Y HA 0.441 4.991 4.550 -0.000 0.000 0.340 1328 Y C -0.870 175.108 175.900 0.130 0.000 0.975 1328 Y CA -0.949 57.253 58.100 0.170 0.000 1.056 1328 Y CB 1.883 40.467 38.460 0.207 0.000 1.210 1328 Y HN 0.446 nan 8.280 nan 0.000 0.448 1329 T N 6.496 120.883 114.554 -0.279 0.000 2.791 1329 T HA 0.139 4.489 4.350 -0.000 0.000 0.288 1329 T C 0.823 175.136 174.700 -0.646 0.000 0.999 1329 T CA -0.623 61.267 62.100 -0.350 0.000 0.952 1329 T CB 0.370 69.189 68.868 -0.082 0.000 0.938 1329 T HN 0.760 nan 8.240 nan 0.000 0.444 1330 N N 2.041 120.353 118.700 -0.647 0.000 2.334 1330 N HA -0.108 4.632 4.740 -0.000 0.000 0.187 1330 N C 0.922 176.383 175.510 -0.082 0.000 1.016 1330 N CA 0.509 53.286 53.050 -0.455 0.000 0.879 1330 N CB -0.029 38.320 38.487 -0.230 0.000 0.965 1330 N HN 0.373 nan 8.380 nan 0.000 0.438 1331 S N 0.192 115.898 115.700 0.010 0.000 2.700 1331 S HA 0.136 4.606 4.470 -0.000 0.000 0.321 1331 S C 0.881 175.687 174.600 0.344 0.000 1.161 1331 S CA -0.974 57.366 58.200 0.232 0.000 1.078 1331 S CB -1.087 62.181 63.200 0.112 0.000 1.302 1331 S HN 0.377 nan 8.310 nan 0.000 0.540 1332 F N 3.493 123.470 119.950 0.045 0.000 2.126 1332 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 1332 F C 1.946 177.786 175.800 0.066 0.000 1.096 1332 F CA 0.225 58.279 58.000 0.090 0.000 1.255 1332 F CB -0.496 38.570 39.000 0.109 0.000 0.997 1332 F HN 0.417 nan 8.300 nan 0.000 0.479 1333 I N 1.956 122.271 120.570 -0.425 0.000 2.147 1333 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 1333 I C 2.134 178.188 176.117 -0.105 0.000 1.059 1333 I CA 1.900 62.976 61.300 -0.374 0.000 1.320 1333 I CB -0.938 36.846 38.000 -0.361 0.000 1.021 1333 I HN 0.334 nan 8.210 nan 0.000 0.415 1334 D N 0.326 120.712 120.400 -0.022 0.000 2.077 1334 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 1334 D C 2.204 178.537 176.300 0.056 0.000 0.983 1334 D CA 1.108 55.119 54.000 0.018 0.000 0.841 1334 D CB -0.261 40.558 40.800 0.030 0.000 0.992 1334 D HN 0.307 nan 8.370 nan 0.000 0.450 1335 I N 1.229 121.866 120.570 0.112 0.000 2.576 1335 I HA -0.266 3.904 4.170 -0.000 0.000 0.263 1335 I C 2.289 178.479 176.117 0.122 0.000 1.183 1335 I CA 0.648 62.037 61.300 0.148 0.000 1.432 1335 I CB -0.087 38.061 38.000 0.246 0.000 1.100 1335 I HN 0.128 nan 8.210 nan 0.000 0.452 1336 M N 0.120 119.774 119.600 0.090 0.000 2.447 1336 M HA -0.076 4.404 4.480 -0.000 0.000 0.266 1336 M C 1.850 178.173 176.300 0.039 0.000 1.120 1336 M CA 1.516 56.855 55.300 0.066 0.000 1.166 1336 M CB -0.082 32.542 32.600 0.039 0.000 1.349 1336 M HN 0.177 nan 8.290 nan 0.000 0.463 1337 E N -0.406 119.808 120.200 0.022 0.000 2.208 1337 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 1337 E C 1.909 178.523 176.600 0.024 0.000 0.988 1337 E CA 0.956 57.364 56.400 0.014 0.000 0.828 1337 E CB 0.214 29.914 29.700 0.000 0.000 0.763 1337 E HN 0.343 nan 8.360 nan 0.000 0.478 1338 V N 1.031 120.967 119.914 0.036 0.000 2.423 1338 V HA -0.117 4.003 4.120 -0.000 0.000 0.233 1338 V C 2.194 178.315 176.094 0.045 0.000 1.067 1338 V CA 0.810 63.134 62.300 0.040 0.000 1.073 1338 V CB -0.472 31.380 31.823 0.049 0.000 0.715 1338 V HN 0.153 nan 8.190 nan 0.000 0.485 1339 L N 0.508 121.767 121.223 0.060 0.000 2.141 1339 L HA 0.262 4.602 4.340 -0.000 0.000 0.209 1339 L C 1.063 177.964 176.870 0.051 0.000 1.094 1339 L CA 1.219 56.094 54.840 0.059 0.000 0.763 1339 L CB -0.611 41.494 42.059 0.077 0.000 0.908 1339 L HN 0.664 nan 8.230 nan 0.000 0.437 1340 G N -0.526 108.306 108.800 0.054 0.000 3.438 1340 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.684 1340 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.684 1340 G C 0.324 175.257 174.900 0.055 0.000 1.192 1340 G CA -0.216 44.913 45.100 0.047 0.000 1.013 1340 G HN 0.094 nan 8.290 nan 0.000 0.530 1341 I N 0.351 120.954 120.570 0.054 0.000 3.642 1341 I HA -0.415 3.755 4.170 -0.000 0.000 0.171 1341 I C 2.550 178.708 176.117 0.069 0.000 0.746 1341 I CA 2.774 64.111 61.300 0.062 0.000 1.031 1341 I CB 0.061 38.091 38.000 0.051 0.000 0.825 1341 I HN 0.786 nan 8.210 nan 0.000 0.296 1342 E N 0.381 120.614 120.200 0.056 0.000 2.086 1342 E HA -0.297 4.053 4.350 -0.000 0.000 0.200 1342 E C 2.028 178.660 176.600 0.054 0.000 1.012 1342 E CA 1.963 58.393 56.400 0.050 0.000 0.812 1342 E CB -0.424 29.299 29.700 0.037 0.000 0.743 1342 E HN 0.763 nan 8.360 nan 0.000 0.453 1343 A N 0.407 123.261 122.820 0.058 0.000 2.016 1343 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 1343 A C 2.400 180.048 177.584 0.107 0.000 1.162 1343 A CA 1.493 53.569 52.037 0.064 0.000 0.662 1343 A CB -0.689 18.348 19.000 0.061 0.000 0.812 1343 A HN 0.327 nan 8.150 nan 0.000 0.450 1344 G N -0.122 108.750 108.800 0.120 0.000 2.459 1344 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 1344 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 1344 G C 1.715 176.730 174.900 0.192 0.000 1.183 1344 G CA 1.042 46.245 45.100 0.171 0.000 0.776 1344 G HN 0.518 nan 8.290 nan 0.000 0.552 1345 R N 0.518 121.105 120.500 0.144 0.000 2.154 1345 R HA -0.214 4.126 4.340 -0.000 0.000 0.236 1345 R C 2.941 179.332 176.300 0.151 0.000 1.121 1345 R CA 2.045 58.227 56.100 0.137 0.000 0.915 1345 R CB -0.752 29.599 30.300 0.083 0.000 0.856 1345 R HN 0.292 nan 8.270 nan 0.000 0.431 1346 A N 0.226 123.111 122.820 0.108 0.000 1.985 1346 A HA -0.299 4.021 4.320 -0.000 0.000 0.223 1346 A C 2.285 179.956 177.584 0.146 0.000 1.189 1346 A CA 2.472 54.569 52.037 0.099 0.000 0.658 1346 A CB -0.844 18.177 19.000 0.036 0.000 0.820 1346 A HN 0.666 nan 8.150 nan 0.000 0.464 1347 A N -0.842 122.079 122.820 0.168 0.000 1.835 1347 A HA 0.132 4.452 4.320 -0.000 0.000 0.213 1347 A C 2.070 179.746 177.584 0.152 0.000 1.210 1347 A CA 1.469 53.637 52.037 0.218 0.000 0.605 1347 A CB -0.843 18.387 19.000 0.384 0.000 0.860 1347 A HN 1.012 nan 8.150 nan 0.000 0.447 1348 L N -1.056 120.260 121.223 0.155 0.000 2.064 1348 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 1348 L C 2.217 179.087 176.870 0.001 0.000 1.077 1348 L CA 2.870 57.717 54.840 0.011 0.000 0.766 1348 L CB -1.022 41.187 42.059 0.249 0.000 0.890 1348 L HN 0.569 nan 8.230 nan 0.000 0.435 1349 Y N 0.328 120.631 120.300 0.005 0.000 2.109 1349 Y HA -0.228 4.322 4.550 -0.000 0.000 0.281 1349 Y C 2.762 178.693 175.900 0.052 0.000 1.113 1349 Y CA 2.306 60.406 58.100 -0.001 0.000 1.098 1349 Y CB -0.559 37.882 38.460 -0.033 0.000 0.996 1349 Y HN 0.211 nan 8.280 nan 0.000 0.485 1350 K N -0.071 120.395 120.400 0.110 0.000 2.127 1350 K HA -0.354 3.966 4.320 -0.000 0.000 0.212 1350 K C 2.044 178.651 176.600 0.013 0.000 1.050 1350 K CA 2.266 58.599 56.287 0.077 0.000 0.929 1350 K CB -0.257 32.306 32.500 0.106 0.000 0.715 1350 K HN 0.362 nan 8.250 nan 0.000 0.457 1351 E N 0.055 120.241 120.200 -0.024 0.000 2.007 1351 E HA -0.136 4.213 4.350 -0.000 0.000 0.194 1351 E C 1.887 178.393 176.600 -0.157 0.000 0.999 1351 E CA 1.551 57.897 56.400 -0.091 0.000 0.811 1351 E CB -0.274 29.279 29.700 -0.244 0.000 0.762 1351 E HN 0.136 nan 8.360 nan 0.000 0.450 1352 V N 0.847 120.638 119.914 -0.205 0.000 2.317 1352 V HA -0.318 3.801 4.120 -0.000 0.000 0.251 1352 V C 2.236 178.216 176.094 -0.190 0.000 1.065 1352 V CA 2.292 64.482 62.300 -0.184 0.000 1.049 1352 V CB -0.859 30.866 31.823 -0.164 0.000 0.651 1352 V HN 0.411 nan 8.190 nan 0.000 0.450 1353 Y N 1.872 121.921 120.300 -0.418 0.000 2.128 1353 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 1353 Y C 2.490 178.295 175.900 -0.159 0.000 1.154 1353 Y CA 1.994 59.880 58.100 -0.356 0.000 1.149 1353 Y CB -0.635 37.489 38.460 -0.560 0.000 0.976 1353 Y HN 0.278 nan 8.280 nan 0.000 0.505 1354 N N 0.041 118.508 118.700 -0.388 0.000 2.289 1354 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 1354 N C 1.897 177.233 175.510 -0.290 0.000 1.016 1354 N CA 1.591 54.409 53.050 -0.386 0.000 0.872 1354 N CB -0.184 38.222 38.487 -0.135 0.000 0.973 1354 N HN 0.348 nan 8.380 nan 0.000 0.433 1355 V N 1.648 121.432 119.914 -0.216 0.000 2.427 1355 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 1355 V C 2.175 178.176 176.094 -0.155 0.000 1.051 1355 V CA 1.155 63.364 62.300 -0.151 0.000 1.048 1355 V CB -0.270 31.484 31.823 -0.116 0.000 0.666 1355 V HN 0.240 nan 8.190 nan 0.000 0.456 1356 I N 0.267 120.725 120.570 -0.187 0.000 2.761 1356 I HA -0.056 4.114 4.170 -0.000 0.000 0.261 1356 I C 2.479 178.497 176.117 -0.164 0.000 1.198 1356 I CA 1.020 62.240 61.300 -0.133 0.000 1.482 1356 I CB -0.417 37.545 38.000 -0.063 0.000 1.100 1356 I HN 0.264 nan 8.210 nan 0.000 0.445 1357 A N 0.955 123.578 122.820 -0.328 0.000 1.975 1357 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 1357 A C 2.490 179.968 177.584 -0.177 0.000 1.170 1357 A CA 1.348 53.199 52.037 -0.311 0.000 0.656 1357 A CB -0.590 18.048 19.000 -0.602 0.000 0.821 1357 A HN 0.464 nan 8.150 nan 0.000 0.449 1358 S N 0.280 115.880 115.700 -0.166 0.000 2.402 1358 S HA -0.251 4.219 4.470 -0.000 0.000 0.233 1358 S C 1.279 175.838 174.600 -0.068 0.000 1.030 1358 S CA 1.905 60.044 58.200 -0.102 0.000 1.003 1358 S CB -0.638 62.508 63.200 -0.090 0.000 0.813 1358 S HN 0.549 nan 8.310 nan 0.000 0.477 1359 D N 0.966 121.327 120.400 -0.065 0.000 2.363 1359 D HA 0.296 4.936 4.640 -0.000 0.000 0.220 1359 D C 1.297 177.583 176.300 -0.023 0.000 0.994 1359 D CA 0.916 54.894 54.000 -0.038 0.000 0.890 1359 D CB -0.260 40.519 40.800 -0.035 0.000 0.906 1359 D HN 0.617 nan 8.370 nan 0.000 0.530 1360 G N -0.272 108.511 108.800 -0.029 0.000 2.136 1360 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 1360 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 1360 G C 0.483 175.395 174.900 0.021 0.000 0.989 1360 G CA 0.398 45.493 45.100 -0.008 0.000 0.682 1360 G HN 0.320 nan 8.290 nan 0.000 0.522 1361 S N -1.122 114.594 115.700 0.026 0.000 2.719 1361 S HA 0.841 5.311 4.470 -0.000 0.000 0.285 1361 S C -0.697 174.007 174.600 0.173 0.000 1.137 1361 S CA -0.298 57.946 58.200 0.074 0.000 1.012 1361 S CB 1.682 64.906 63.200 0.039 0.000 1.134 1361 S HN 1.057 nan 8.310 nan 0.000 0.544 1362 Y N 0.105 120.426 120.300 0.036 0.000 2.482 1362 Y HA 0.600 5.150 4.550 -0.000 0.000 0.334 1362 Y C -1.916 174.052 175.900 0.113 0.000 1.091 1362 Y CA -1.334 56.818 58.100 0.087 0.000 1.027 1362 Y CB 0.525 39.034 38.460 0.080 0.000 1.306 1362 Y HN 0.345 nan 8.280 nan 0.000 0.446 1363 V N 6.206 126.392 119.914 0.454 0.000 2.577 1363 V HA 0.308 4.428 4.120 -0.000 0.000 0.303 1363 V C -0.363 175.908 176.094 0.295 0.000 1.042 1363 V CA -1.196 61.203 62.300 0.165 0.000 0.872 1363 V CB 1.880 33.841 31.823 0.230 0.000 0.998 1363 V HN 0.834 nan 8.190 nan 0.000 0.423 1364 N N 3.513 122.257 118.700 0.073 0.000 2.427 1364 N HA 0.038 4.777 4.740 -0.000 0.000 0.269 1364 N C 1.014 176.668 175.510 0.239 0.000 1.235 1364 N CA -0.050 53.122 53.050 0.203 0.000 0.934 1364 N CB 0.269 38.755 38.487 -0.001 0.000 1.121 1364 N HN 0.725 nan 8.380 nan 0.000 0.480 1365 Y N 5.166 125.605 120.300 0.232 0.000 1.837 1365 Y HA -0.547 4.003 4.550 -0.000 0.000 0.148 1365 Y C 2.146 178.086 175.900 0.066 0.000 1.041 1365 Y CA 3.206 61.410 58.100 0.173 0.000 0.733 1365 Y CB -0.574 37.907 38.460 0.035 0.000 0.619 1365 Y HN 0.726 nan 8.280 nan 0.000 0.645 1366 R N -1.587 118.991 120.500 0.130 0.000 2.386 1366 R HA -0.367 3.973 4.340 -0.000 0.000 0.252 1366 R C 1.772 178.011 176.300 -0.100 0.000 1.058 1366 R CA 2.287 58.311 56.100 -0.128 0.000 0.938 1366 R CB -1.639 28.424 30.300 -0.395 0.000 0.931 1366 R HN 0.639 nan 8.270 nan 0.000 0.455 1367 H N 0.672 119.791 119.070 0.082 0.000 2.261 1367 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 1367 H C 2.432 177.782 175.328 0.037 0.000 1.067 1367 H CA 1.912 58.005 56.048 0.074 0.000 1.297 1367 H CB -0.506 29.297 29.762 0.069 0.000 1.377 1367 H HN 0.261 nan 8.280 nan 0.000 0.492 1368 M N 0.421 120.148 119.600 0.211 0.000 2.144 1368 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 1368 M C 2.668 179.034 176.300 0.111 0.000 1.067 1368 M CA 1.458 56.851 55.300 0.154 0.000 1.095 1368 M CB -0.406 32.310 32.600 0.194 0.000 1.365 1368 M HN 0.243 nan 8.290 nan 0.000 0.406 1369 A N 1.080 123.852 122.820 -0.080 0.000 1.829 1369 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 1369 A C 2.087 179.617 177.584 -0.090 0.000 1.207 1369 A CA 1.850 53.702 52.037 -0.308 0.000 0.622 1369 A CB -1.226 17.326 19.000 -0.746 0.000 0.846 1369 A HN 0.420 nan 8.150 nan 0.000 0.447 1370 L N -0.477 120.726 121.223 -0.034 0.000 2.026 1370 L HA -0.282 4.058 4.340 -0.000 0.000 0.231 1370 L C 2.442 179.317 176.870 0.009 0.000 1.095 1370 L CA 2.869 57.724 54.840 0.025 0.000 0.810 1370 L CB -0.864 41.256 42.059 0.101 0.000 0.909 1370 L HN 0.551 nan 8.230 nan 0.000 0.444 1371 L N -1.406 119.828 121.223 0.018 0.000 1.990 1371 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 1371 L C 2.421 179.300 176.870 0.014 0.000 1.072 1371 L CA 2.113 56.951 54.840 -0.002 0.000 0.755 1371 L CB -0.838 41.219 42.059 -0.003 0.000 0.889 1371 L HN 0.142 nan 8.230 nan 0.000 0.432 1372 V N 0.235 120.173 119.914 0.040 0.000 2.688 1372 V HA -0.290 3.830 4.120 -0.000 0.000 0.256 1372 V C 2.036 178.161 176.094 0.051 0.000 1.084 1372 V CA 2.229 64.570 62.300 0.069 0.000 1.103 1372 V CB -0.702 31.195 31.823 0.122 0.000 0.688 1372 V HN 0.633 nan 8.190 nan 0.000 0.480 1373 D N -0.576 119.834 120.400 0.016 0.000 2.144 1373 D HA -0.073 4.567 4.640 -0.000 0.000 0.207 1373 D C 2.162 178.465 176.300 0.005 0.000 0.970 1373 D CA 1.467 55.470 54.000 0.005 0.000 0.853 1373 D CB -0.276 40.513 40.800 -0.019 0.000 1.007 1373 D HN 0.384 nan 8.370 nan 0.000 0.469 1374 V N 1.805 121.714 119.914 -0.008 0.000 2.370 1374 V HA -0.284 3.835 4.120 -0.000 0.000 0.252 1374 V C 2.563 178.664 176.094 0.011 0.000 1.068 1374 V CA 1.533 63.822 62.300 -0.018 0.000 1.061 1374 V CB -0.599 31.191 31.823 -0.055 0.000 0.656 1374 V HN 0.202 nan 8.190 nan 0.000 0.455 1375 M N -0.576 119.042 119.600 0.029 0.000 2.374 1375 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 1375 M C 2.217 178.563 176.300 0.076 0.000 1.067 1375 M CA 2.036 57.376 55.300 0.067 0.000 1.103 1375 M CB -0.363 32.292 32.600 0.092 0.000 1.402 1375 M HN 0.578 nan 8.290 nan 0.000 0.444 1376 T N -0.703 113.888 114.554 0.061 0.000 3.082 1376 T HA -0.055 4.295 4.350 -0.000 0.000 0.235 1376 T C 1.787 176.514 174.700 0.044 0.000 0.991 1376 T CA 1.679 63.815 62.100 0.061 0.000 1.220 1376 T CB -0.613 68.295 68.868 0.066 0.000 0.909 1376 T HN 0.505 nan 8.240 nan 0.000 0.424 1377 T N 1.700 116.270 114.554 0.027 0.000 2.261 1377 T HA -0.465 3.885 4.350 -0.000 0.000 0.203 1377 T C 1.833 176.550 174.700 0.027 0.000 1.596 1377 T CA 2.446 64.555 62.100 0.015 0.000 1.039 1377 T CB -1.661 67.200 68.868 -0.011 0.000 0.818 1377 T HN 0.550 nan 8.240 nan 0.000 0.433 1378 Q N 1.460 121.279 119.800 0.031 0.000 2.226 1378 Q HA -0.293 4.047 4.340 -0.000 0.000 0.220 1378 Q C 2.211 178.235 176.000 0.039 0.000 1.037 1378 Q CA 2.746 58.573 55.803 0.039 0.000 0.940 1378 Q CB -0.943 27.826 28.738 0.052 0.000 1.037 1378 Q HN 0.982 nan 8.270 nan 0.000 0.420 1379 G N -2.949 105.875 108.800 0.041 0.000 4.204 1379 G HA2 0.112 4.072 3.960 -0.000 0.000 0.198 1379 G HA3 0.112 4.072 3.960 -0.000 0.000 0.198 1379 G C 0.261 175.183 174.900 0.037 0.000 0.964 1379 G CA 0.364 45.486 45.100 0.038 0.000 0.914 1379 G HN 0.641 nan 8.290 nan 0.000 0.317 1380 G N -0.262 108.560 108.800 0.037 0.000 3.366 1380 G HA2 0.520 4.480 3.960 -0.000 0.000 0.179 1380 G HA3 0.520 4.480 3.960 -0.000 0.000 0.179 1380 G C -0.990 173.932 174.900 0.037 0.000 1.143 1380 G CA -0.506 44.612 45.100 0.031 0.000 0.810 1380 G HN 0.435 nan 8.290 nan 0.000 0.697 1381 L N 2.533 123.767 121.223 0.018 0.000 2.314 1381 L HA 0.349 4.689 4.340 -0.000 0.000 0.275 1381 L C -0.301 176.598 176.870 0.047 0.000 1.068 1381 L CA -0.275 54.580 54.840 0.025 0.000 0.894 1381 L CB 0.952 42.977 42.059 -0.056 0.000 1.275 1381 L HN 0.244 nan 8.230 nan 0.000 0.432 1382 T N 1.006 115.606 114.554 0.078 0.000 2.723 1382 T HA 0.140 4.490 4.350 -0.000 0.000 0.297 1382 T C 0.590 175.374 174.700 0.140 0.000 0.925 1382 T CA -0.426 61.736 62.100 0.103 0.000 1.030 1382 T CB 0.709 69.643 68.868 0.111 0.000 0.905 1382 T HN 0.622 nan 8.240 nan 0.000 0.502 1383 S N 2.376 118.166 115.700 0.151 0.000 2.564 1383 S HA 0.157 4.627 4.470 -0.000 0.000 0.278 1383 S C 0.625 175.394 174.600 0.281 0.000 1.333 1383 S CA -0.939 57.373 58.200 0.186 0.000 1.048 1383 S CB 0.557 63.860 63.200 0.171 0.000 0.900 1383 S HN 0.431 nan 8.310 nan 0.000 0.505 1384 V N 3.920 123.997 119.914 0.272 0.000 2.159 1384 V HA 0.228 4.348 4.120 -0.000 0.000 0.296 1384 V C 0.250 176.606 176.094 0.438 0.000 1.762 1384 V CA 0.139 62.668 62.300 0.381 0.000 1.708 1384 V CB -1.990 29.912 31.823 0.132 0.000 1.484 1384 V HN 1.042 nan 8.190 nan 0.000 0.512 1385 T N -0.331 114.429 114.554 0.342 0.000 2.821 1385 T HA 0.270 4.620 4.350 -0.000 0.000 0.306 1385 T C 0.955 175.525 174.700 -0.217 0.000 1.313 1385 T CA -0.816 61.355 62.100 0.118 0.000 1.012 1385 T CB 1.930 70.844 68.868 0.078 0.000 1.298 1385 T HN 0.324 nan 8.240 nan 0.000 0.502 1386 R N 0.346 120.647 120.500 -0.332 0.000 2.244 1386 R HA -0.237 4.103 4.340 -0.000 0.000 0.252 1386 R C 1.142 177.198 176.300 -0.407 0.000 1.177 1386 R CA 1.925 57.707 56.100 -0.530 0.000 1.004 1386 R CB -0.396 29.534 30.300 -0.615 0.000 0.873 1386 R HN 0.642 nan 8.270 nan 0.000 0.469 1387 H N -0.955 118.045 119.070 -0.116 0.000 2.403 1387 H HA 0.114 4.670 4.556 -0.000 0.000 0.298 1387 H C 1.618 176.910 175.328 -0.061 0.000 1.059 1387 H CA 1.300 57.306 56.048 -0.071 0.000 1.363 1387 H CB -0.215 29.534 29.762 -0.023 0.000 1.410 1387 H HN 0.431 nan 8.280 nan 0.000 0.528 1388 G N 0.457 109.287 108.800 0.049 0.000 3.226 1388 G HA2 0.053 4.013 3.960 -0.000 0.000 0.190 1388 G HA3 0.053 4.013 3.960 -0.000 0.000 0.190 1388 G C 1.198 176.109 174.900 0.018 0.000 1.988 1388 G CA 0.268 45.409 45.100 0.068 0.000 0.859 1388 G HN 0.292 nan 8.290 nan 0.000 0.631 1389 F N 1.810 121.806 119.950 0.077 0.000 2.094 1389 F HA -0.283 4.244 4.527 -0.000 0.000 0.296 1389 F C 1.319 177.167 175.800 0.081 0.000 1.070 1389 F CA 1.827 59.866 58.000 0.066 0.000 1.255 1389 F CB -0.963 38.066 39.000 0.047 0.000 1.000 1389 F HN 0.215 nan 8.300 nan 0.000 0.490 1390 N N 0.347 118.641 118.700 -0.677 0.000 2.542 1390 N HA 0.040 4.780 4.740 -0.000 0.000 0.234 1390 N C 1.198 176.623 175.510 -0.141 0.000 1.257 1390 N CA 0.400 53.226 53.050 -0.373 0.000 0.883 1390 N CB -0.303 37.863 38.487 -0.535 0.000 1.197 1390 N HN 0.754 nan 8.380 nan 0.000 0.488 1391 R N -2.000 118.475 120.500 -0.041 0.000 2.612 1391 R HA 0.162 4.502 4.340 -0.000 0.000 0.260 1391 R C 0.370 176.690 176.300 0.033 0.000 0.943 1391 R CA -0.057 56.036 56.100 -0.012 0.000 1.036 1391 R CB -0.341 29.952 30.300 -0.012 0.000 1.520 1391 R HN 0.151 nan 8.270 nan 0.000 0.563 1392 S N 1.087 116.829 115.700 0.070 0.000 2.687 1392 S HA -0.026 4.443 4.470 -0.000 0.000 0.248 1392 S C 0.645 175.284 174.600 0.065 0.000 1.390 1392 S CA 0.214 58.461 58.200 0.078 0.000 0.963 1392 S CB 0.115 63.379 63.200 0.107 0.000 0.957 1392 S HN 0.410 nan 8.310 nan 0.000 0.584 1393 N N 0.632 119.369 118.700 0.061 0.000 2.573 1393 N HA -0.022 4.718 4.740 -0.000 0.000 0.187 1393 N C 0.239 175.783 175.510 0.058 0.000 1.107 1393 N CA 0.678 53.760 53.050 0.053 0.000 0.918 1393 N CB -0.859 37.656 38.487 0.047 0.000 0.966 1393 N HN 0.608 nan 8.380 nan 0.000 0.448 1394 T N 0.683 115.279 114.554 0.069 0.000 2.856 1394 T HA 0.136 4.485 4.350 -0.000 0.000 0.329 1394 T C 1.344 176.087 174.700 0.072 0.000 1.094 1394 T CA 0.017 62.160 62.100 0.072 0.000 1.112 1394 T CB 0.500 69.423 68.868 0.092 0.000 1.009 1394 T HN 0.208 nan 8.240 nan 0.000 0.550 1395 G N -0.184 108.659 108.800 0.071 0.000 2.680 1395 G HA2 0.334 4.294 3.960 -0.000 0.000 0.274 1395 G HA3 0.334 4.294 3.960 -0.000 0.000 0.274 1395 G C 1.080 176.041 174.900 0.102 0.000 1.292 1395 G CA -0.171 44.981 45.100 0.087 0.000 1.007 1395 G HN 0.889 nan 8.290 nan 0.000 0.578 1396 A N -0.846 122.066 122.820 0.154 0.000 1.864 1396 A HA 0.188 4.508 4.320 -0.000 0.000 0.213 1396 A C 2.472 180.113 177.584 0.096 0.000 1.266 1396 A CA 0.906 53.010 52.037 0.111 0.000 0.612 1396 A CB -0.672 18.405 19.000 0.129 0.000 0.940 1396 A HN 0.551 nan 8.150 nan 0.000 0.463 1397 L N -0.602 120.732 121.223 0.185 0.000 2.171 1397 L HA -0.325 4.015 4.340 -0.000 0.000 0.216 1397 L C 2.768 179.685 176.870 0.079 0.000 1.084 1397 L CA 2.102 57.020 54.840 0.130 0.000 0.771 1397 L CB -0.432 41.715 42.059 0.148 0.000 0.890 1397 L HN 0.655 nan 8.230 nan 0.000 0.437 1398 M N -0.274 119.375 119.600 0.082 0.000 2.074 1398 M HA -0.195 4.285 4.480 -0.000 0.000 0.258 1398 M C 2.447 178.808 176.300 0.102 0.000 1.083 1398 M CA 1.644 56.992 55.300 0.081 0.000 1.128 1398 M CB -0.147 32.501 32.600 0.080 0.000 1.301 1398 M HN -0.003 nan 8.290 nan 0.000 0.417 1399 R N -0.109 120.454 120.500 0.105 0.000 2.139 1399 R HA -0.231 4.109 4.340 -0.000 0.000 0.243 1399 R C 2.493 178.834 176.300 0.067 0.000 1.145 1399 R CA 1.569 57.739 56.100 0.116 0.000 0.976 1399 R CB -1.408 28.929 30.300 0.061 0.000 0.866 1399 R HN 0.669 nan 8.270 nan 0.000 0.449 1400 C N 1.408 120.723 119.300 0.025 0.000 2.403 1400 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 1400 C C 1.952 176.946 174.990 0.007 0.000 1.248 1400 C CA 1.293 60.298 59.018 -0.023 0.000 1.762 1400 C CB -0.903 26.816 27.740 -0.035 0.000 2.014 1400 C HN 0.515 nan 8.230 nan 0.000 0.486 1401 S N -0.754 114.986 115.700 0.067 0.000 3.697 1401 S HA 0.441 4.911 4.470 -0.000 0.000 0.207 1401 S C -0.456 174.276 174.600 0.220 0.000 1.459 1401 S CA -0.358 57.899 58.200 0.094 0.000 1.122 1401 S CB -0.773 62.472 63.200 0.075 0.000 1.311 1401 S HN 0.832 nan 8.310 nan 0.000 0.487 1402 F N 0.724 120.666 119.950 -0.015 0.000 3.719 1402 F HA 0.235 4.762 4.527 -0.000 0.000 0.371 1402 F C 0.092 175.871 175.800 -0.035 0.000 1.007 1402 F CA -0.862 57.137 58.000 -0.001 0.000 1.585 1402 F CB -0.603 38.421 39.000 0.041 0.000 2.064 1402 F HN 0.417 nan 8.300 nan 0.000 0.853 1403 E N 1.952 121.897 120.200 -0.426 0.000 4.086 1403 E HA -0.262 4.088 4.350 -0.000 0.000 0.363 1403 E C 0.605 176.977 176.600 -0.380 0.000 0.616 1403 E CA 1.701 57.772 56.400 -0.549 0.000 1.293 1403 E CB -0.526 28.524 29.700 -1.083 0.000 1.747 1403 E HN 0.854 nan 8.360 nan 0.000 0.405 1404 E N -1.224 118.793 120.200 -0.305 0.000 2.603 1404 E HA 0.048 4.398 4.350 -0.000 0.000 0.218 1404 E C 0.851 177.331 176.600 -0.201 0.000 0.878 1404 E CA 0.703 56.963 56.400 -0.234 0.000 1.348 1404 E CB 0.742 30.305 29.700 -0.229 0.000 1.318 1404 E HN 0.229 nan 8.360 nan 0.000 0.673 1405 T N 1.232 115.679 114.554 -0.179 0.000 2.480 1405 T HA -0.374 3.976 4.350 -0.000 0.000 0.106 1405 T C 1.752 176.299 174.700 -0.255 0.000 1.782 1405 T CA 2.399 64.393 62.100 -0.177 0.000 0.802 1405 T CB -1.360 67.412 68.868 -0.159 0.000 0.843 1405 T HN 0.042 nan 8.240 nan 0.000 0.407 1406 V N 2.467 122.182 119.914 -0.332 0.000 2.252 1406 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 1406 V C 2.757 178.488 176.094 -0.606 0.000 1.056 1406 V CA 2.718 64.670 62.300 -0.581 0.000 1.022 1406 V CB -0.906 30.516 31.823 -0.668 0.000 0.641 1406 V HN 0.595 nan 8.190 nan 0.000 0.445 1407 E N -0.472 119.504 120.200 -0.374 0.000 2.136 1407 E HA -0.290 4.060 4.350 -0.000 0.000 0.202 1407 E C 2.134 178.659 176.600 -0.124 0.000 1.019 1407 E CA 2.008 58.297 56.400 -0.185 0.000 0.819 1407 E CB -0.244 29.379 29.700 -0.129 0.000 0.739 1407 E HN 0.582 nan 8.360 nan 0.000 0.458 1408 I N 0.555 121.020 120.570 -0.174 0.000 2.235 1408 I HA -0.242 3.928 4.170 -0.000 0.000 0.241 1408 I C 2.435 178.450 176.117 -0.170 0.000 1.085 1408 I CA 0.639 61.854 61.300 -0.142 0.000 1.378 1408 I CB -0.116 37.797 38.000 -0.144 0.000 1.076 1408 I HN 0.131 nan 8.210 nan 0.000 0.415 1409 L N 0.018 121.084 121.223 -0.261 0.000 2.043 1409 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 1409 L C 2.587 179.376 176.870 -0.135 0.000 1.075 1409 L CA 1.745 56.383 54.840 -0.337 0.000 0.752 1409 L CB -0.642 41.203 42.059 -0.356 0.000 0.891 1409 L HN 0.213 nan 8.230 nan 0.000 0.432 1410 F N 0.510 120.391 119.950 -0.115 0.000 2.027 1410 F HA -0.308 4.219 4.527 -0.000 0.000 0.297 1410 F C 2.341 178.236 175.800 0.159 0.000 1.129 1410 F CA 1.128 59.146 58.000 0.030 0.000 1.195 1410 F CB -0.210 38.802 39.000 0.020 0.000 0.960 1410 F HN 0.141 nan 8.300 nan 0.000 0.485 1411 E N -0.006 120.349 120.200 0.259 0.000 2.526 1411 E HA -0.062 4.288 4.350 -0.000 0.000 0.198 1411 E C 1.545 178.114 176.600 -0.051 0.000 1.091 1411 E CA 0.212 56.643 56.400 0.051 0.000 0.880 1411 E CB 0.005 29.694 29.700 -0.019 0.000 0.873 1411 E HN 0.377 nan 8.360 nan 0.000 0.527 1412 A N 0.268 123.042 122.820 -0.076 0.000 1.924 1412 A HA 0.118 4.438 4.320 -0.000 0.000 0.211 1412 A C 2.245 179.816 177.584 -0.022 0.000 1.198 1412 A CA 0.853 52.798 52.037 -0.153 0.000 0.657 1412 A CB -0.247 18.434 19.000 -0.533 0.000 0.852 1412 A HN 0.334 nan 8.150 nan 0.000 0.454 1413 G N -0.631 108.177 108.800 0.013 0.000 2.494 1413 G HA2 0.203 4.163 3.960 -0.000 0.000 0.216 1413 G HA3 0.203 4.163 3.960 -0.000 0.000 0.216 1413 G C 1.562 176.516 174.900 0.091 0.000 1.140 1413 G CA 1.078 46.258 45.100 0.134 0.000 0.801 1413 G HN 0.659 nan 8.290 nan 0.000 0.536 1414 A N 0.761 123.599 122.820 0.029 0.000 1.930 1414 A HA 0.127 4.446 4.320 -0.000 0.000 0.217 1414 A C 2.212 179.542 177.584 -0.424 0.000 1.175 1414 A CA 1.853 53.742 52.037 -0.248 0.000 0.627 1414 A CB -0.144 18.507 19.000 -0.581 0.000 0.815 1414 A HN 0.245 nan 8.150 nan 0.000 0.443 1415 S N -0.604 114.912 115.700 -0.306 0.000 2.583 1415 S HA 0.488 4.958 4.470 -0.000 0.000 0.239 1415 S C 0.700 175.250 174.600 -0.083 0.000 0.966 1415 S CA 0.256 58.270 58.200 -0.310 0.000 0.973 1415 S CB -0.028 63.012 63.200 -0.266 0.000 0.794 1415 S HN 1.468 nan 8.310 nan 0.000 0.463 1416 A N 1.970 124.801 122.820 0.017 0.000 2.208 1416 A HA -0.229 4.091 4.320 -0.000 0.000 0.277 1416 A C 0.357 178.035 177.584 0.157 0.000 1.377 1416 A CA 0.719 52.848 52.037 0.153 0.000 0.758 1416 A CB -1.444 17.717 19.000 0.268 0.000 1.122 1416 A HN 0.627 nan 8.150 nan 0.000 0.350 1417 E N -1.246 119.058 120.200 0.174 0.000 2.392 1417 E HA 0.425 4.775 4.350 -0.000 0.000 0.259 1417 E C -0.155 176.532 176.600 0.145 0.000 1.108 1417 E CA -0.512 55.992 56.400 0.174 0.000 0.916 1417 E CB 0.625 30.464 29.700 0.231 0.000 0.989 1417 E HN 0.568 nan 8.360 nan 0.000 0.432 1418 L N 2.251 123.526 121.223 0.085 0.000 2.381 1418 L HA 0.328 4.668 4.340 -0.000 0.000 0.274 1418 L C -1.164 175.705 176.870 -0.002 0.000 0.988 1418 L CA -0.409 54.429 54.840 -0.002 0.000 0.824 1418 L CB 1.704 43.776 42.059 0.022 0.000 1.263 1418 L HN 0.372 nan 8.230 nan 0.000 0.410 1419 D N 2.887 123.240 120.400 -0.078 0.000 2.256 1419 D HA 0.186 4.826 4.640 -0.000 0.000 0.240 1419 D C 0.229 176.503 176.300 -0.043 0.000 1.062 1419 D CA -0.123 53.857 54.000 -0.032 0.000 0.832 1419 D CB 1.736 42.520 40.800 -0.027 0.000 1.135 1419 D HN 0.609 nan 8.370 nan 0.000 0.484 1420 D N 1.679 122.073 120.400 -0.010 0.000 2.178 1420 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 1420 D C 0.667 176.956 176.300 -0.018 0.000 0.974 1420 D CA 0.708 54.701 54.000 -0.012 0.000 0.841 1420 D CB 0.148 40.949 40.800 0.002 0.000 0.953 1420 D HN 0.517 nan 8.370 nan 0.000 0.478 1421 C N 0.354 119.647 119.300 -0.012 0.000 4.533 1421 C HA -0.156 4.304 4.460 -0.000 0.000 0.304 1421 C C 1.366 176.351 174.990 -0.009 0.000 1.316 1421 C CA -0.021 58.988 59.018 -0.015 0.000 2.053 1421 C CB -2.386 25.334 27.740 -0.032 0.000 1.242 1421 C HN 0.413 nan 8.230 nan 0.000 0.758 1422 R N -0.129 120.371 120.500 0.001 0.000 2.419 1422 R HA 0.219 4.559 4.340 -0.000 0.000 0.235 1422 R C 1.277 177.583 176.300 0.009 0.000 0.899 1422 R CA 0.582 56.685 56.100 0.005 0.000 1.048 1422 R CB 0.441 30.745 30.300 0.007 0.000 1.182 1422 R HN 0.567 nan 8.270 nan 0.000 0.544 1423 G N 0.601 109.408 108.800 0.011 0.000 2.442 1423 G HA2 0.221 4.181 3.960 -0.000 0.000 0.249 1423 G HA3 0.221 4.181 3.960 -0.000 0.000 0.249 1423 G C 1.164 176.063 174.900 -0.001 0.000 1.263 1423 G CA -0.543 44.563 45.100 0.011 0.000 0.846 1423 G HN -0.129 nan 8.290 nan 0.000 0.555 1424 V N 2.574 122.482 119.914 -0.011 0.000 2.219 1424 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 1424 V C 3.052 179.137 176.094 -0.016 0.000 1.053 1424 V CA 2.665 64.951 62.300 -0.023 0.000 1.009 1424 V CB -1.042 30.759 31.823 -0.036 0.000 0.636 1424 V HN 0.764 nan 8.190 nan 0.000 0.445 1425 S N -0.291 115.404 115.700 -0.008 0.000 2.372 1425 S HA -0.284 4.185 4.470 -0.000 0.000 0.227 1425 S C 1.852 176.457 174.600 0.007 0.000 1.044 1425 S CA 1.721 59.922 58.200 0.002 0.000 1.050 1425 S CB -0.551 62.659 63.200 0.018 0.000 0.901 1425 S HN 0.649 nan 8.310 nan 0.000 0.447 1426 E N 1.919 122.127 120.200 0.013 0.000 2.068 1426 E HA -0.190 4.160 4.350 -0.000 0.000 0.207 1426 E C 1.836 178.436 176.600 -0.000 0.000 1.032 1426 E CA 1.280 57.688 56.400 0.013 0.000 0.839 1426 E CB -0.741 28.966 29.700 0.011 0.000 0.758 1426 E HN 0.593 nan 8.360 nan 0.000 0.457 1427 N N 0.434 119.128 118.700 -0.010 0.000 2.270 1427 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 1427 N C 2.085 177.585 175.510 -0.018 0.000 1.016 1427 N CA 0.779 53.819 53.050 -0.018 0.000 0.870 1427 N CB -0.035 38.437 38.487 -0.024 0.000 0.979 1427 N HN -0.007 nan 8.380 nan 0.000 0.431 1428 V N 2.285 122.189 119.914 -0.017 0.000 2.380 1428 V HA -0.199 3.921 4.120 -0.000 0.000 0.251 1428 V C 2.218 178.306 176.094 -0.011 0.000 1.063 1428 V CA 1.314 63.603 62.300 -0.018 0.000 1.055 1428 V CB -0.376 31.436 31.823 -0.017 0.000 0.657 1428 V HN 0.273 nan 8.190 nan 0.000 0.455 1429 I N -0.940 119.628 120.570 -0.004 0.000 2.617 1429 I HA -0.144 4.026 4.170 -0.000 0.000 0.256 1429 I C 1.979 178.095 176.117 -0.003 0.000 1.167 1429 I CA 1.287 62.588 61.300 0.002 0.000 1.469 1429 I CB -0.097 37.911 38.000 0.014 0.000 1.098 1429 I HN 0.272 nan 8.210 nan 0.000 0.436 1430 L N 0.220 121.437 121.223 -0.009 0.000 2.529 1430 L HA 0.216 4.556 4.340 -0.000 0.000 0.223 1430 L C 1.374 178.234 176.870 -0.016 0.000 1.113 1430 L CA 0.485 55.317 54.840 -0.015 0.000 0.861 1430 L CB -0.116 41.930 42.059 -0.022 0.000 1.012 1430 L HN 0.422 nan 8.230 nan 0.000 0.461 1431 G N 0.403 109.193 108.800 -0.017 0.000 2.171 1431 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.238 1431 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.238 1431 G C -0.047 174.840 174.900 -0.022 0.000 1.039 1431 G CA -0.163 44.926 45.100 -0.019 0.000 0.759 1431 G HN 0.418 nan 8.290 nan 0.000 0.501 1432 Q N -0.912 118.873 119.800 -0.025 0.000 2.359 1432 Q HA 0.640 4.980 4.340 -0.000 0.000 0.275 1432 Q C 0.235 176.214 176.000 -0.035 0.000 1.082 1432 Q CA -1.190 54.596 55.803 -0.028 0.000 0.849 1432 Q CB 1.574 30.296 28.738 -0.027 0.000 1.377 1432 Q HN 0.324 nan 8.270 nan 0.000 0.452 1433 M N 1.797 121.372 119.600 -0.041 0.000 2.251 1433 M HA 0.263 4.743 4.480 -0.000 0.000 0.346 1433 M C -0.632 175.633 176.300 -0.058 0.000 1.499 1433 M CA -0.097 55.171 55.300 -0.054 0.000 1.128 1433 M CB 0.343 32.904 32.600 -0.064 0.000 1.809 1433 M HN 0.790 nan 8.290 nan 0.000 0.464 1434 A N 7.441 130.226 122.820 -0.058 0.000 2.440 1434 A HA 0.430 4.750 4.320 -0.000 0.000 0.251 1434 A C -2.419 175.123 177.584 -0.070 0.000 1.089 1434 A CA -1.283 50.721 52.037 -0.055 0.000 0.779 1434 A CB -0.430 18.540 19.000 -0.050 0.000 1.022 1434 A HN 0.614 nan 8.150 nan 0.000 0.492 1435 P HA 0.273 nan 4.420 nan 0.000 0.264 1435 P C -1.031 176.232 177.300 -0.063 0.000 1.537 1435 P CA 0.925 63.991 63.100 -0.057 0.000 1.189 1435 P CB -0.328 31.364 31.700 -0.014 0.000 1.687 1436 I N 1.296 121.805 120.570 -0.101 0.000 2.610 1436 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 1436 I C 1.204 177.245 176.117 -0.126 0.000 1.163 1436 I CA -0.592 60.645 61.300 -0.105 0.000 1.044 1436 I CB 2.001 39.946 38.000 -0.091 0.000 1.251 1436 I HN 0.391 nan 8.210 nan 0.000 0.424 1437 G N 4.006 112.737 108.800 -0.115 0.000 2.685 1437 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.357 1437 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.357 1437 G C 1.014 175.837 174.900 -0.128 0.000 1.272 1437 G CA 1.365 46.416 45.100 -0.080 0.000 0.972 1437 G HN 0.596 nan 8.290 nan 0.000 0.550 1438 T N 0.698 115.185 114.554 -0.111 0.000 2.873 1438 T HA -0.214 4.135 4.350 -0.000 0.000 0.258 1438 T C 1.893 176.287 174.700 -0.511 0.000 1.024 1438 T CA 2.751 64.733 62.100 -0.197 0.000 1.165 1438 T CB -0.524 68.272 68.868 -0.119 0.000 0.827 1438 T HN 1.643 nan 8.240 nan 0.000 0.495 1439 G N -0.787 107.762 108.800 -0.417 0.000 3.899 1439 G HA2 0.506 4.465 3.960 -0.000 0.000 0.293 1439 G HA3 0.506 4.465 3.960 -0.000 0.000 0.293 1439 G C 0.734 175.412 174.900 -0.370 0.000 1.054 1439 G CA 0.336 45.172 45.100 -0.441 0.000 0.846 1439 G HN 0.521 nan 8.290 nan 0.000 0.525 1440 A N 0.476 123.066 122.820 -0.383 0.000 2.359 1440 A HA 0.654 4.974 4.320 -0.000 0.000 0.240 1440 A C 0.123 177.801 177.584 0.157 0.000 1.306 1440 A CA -0.143 51.847 52.037 -0.078 0.000 0.898 1440 A CB -0.763 18.214 19.000 -0.038 0.000 0.956 1440 A HN 0.871 nan 8.150 nan 0.000 0.497 1441 F N -4.257 115.760 119.950 0.112 0.000 2.842 1441 F HA 0.625 5.152 4.527 -0.000 0.000 0.319 1441 F C -1.604 174.251 175.800 0.091 0.000 1.159 1441 F CA -1.904 56.188 58.000 0.152 0.000 0.902 1441 F CB 0.325 39.481 39.000 0.260 0.000 1.311 1441 F HN -0.168 nan 8.300 nan 0.000 0.453 1442 D N 0.835 121.476 120.400 0.401 0.000 2.272 1442 D HA 0.708 5.347 4.640 -0.000 0.000 0.247 1442 D C -1.069 175.409 176.300 0.296 0.000 0.990 1442 D CA -0.217 53.937 54.000 0.255 0.000 0.931 1442 D CB 2.603 43.485 40.800 0.136 0.000 1.195 1442 D HN 0.592 nan 8.370 nan 0.000 0.477 1443 V N 0.104 120.137 119.914 0.198 0.000 2.540 1443 V HA 0.664 4.784 4.120 -0.000 0.000 0.302 1443 V C -0.175 175.976 176.094 0.096 0.000 1.035 1443 V CA -0.743 61.652 62.300 0.157 0.000 0.873 1443 V CB 1.592 33.514 31.823 0.164 0.000 0.992 1443 V HN 0.447 nan 8.190 nan 0.000 0.428 1444 M N 4.139 123.784 119.600 0.075 0.000 2.501 1444 M HA 0.633 5.113 4.480 -0.000 0.000 0.293 1444 M C -1.341 174.988 176.300 0.048 0.000 1.192 1444 M CA -0.593 54.740 55.300 0.055 0.000 0.886 1444 M CB 2.650 35.276 32.600 0.044 0.000 1.710 1444 M HN 0.589 nan 8.290 nan 0.000 0.457 1445 I N 0.920 121.516 120.570 0.043 0.000 2.379 1445 I HA 0.187 4.357 4.170 -0.000 0.000 0.290 1445 I C -0.007 176.128 176.117 0.029 0.000 1.063 1445 I CA -0.112 61.214 61.300 0.043 0.000 1.351 1445 I CB -0.212 37.812 38.000 0.040 0.000 1.410 1445 I HN 0.437 nan 8.210 nan 0.000 0.505 1446 D N 5.908 126.323 120.400 0.025 0.000 2.422 1446 D HA 0.009 4.649 4.640 -0.000 0.000 0.227 1446 D C 1.172 177.465 176.300 -0.012 0.000 1.190 1446 D CA -0.017 53.985 54.000 0.002 0.000 0.905 1446 D CB 0.648 41.443 40.800 -0.008 0.000 1.034 1446 D HN 0.601 nan 8.370 nan 0.000 0.507 1447 E N 3.468 123.663 120.200 -0.008 0.000 2.114 1447 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 1447 E C 0.931 177.506 176.600 -0.041 0.000 1.008 1447 E CA 1.285 57.676 56.400 -0.015 0.000 0.810 1447 E CB 0.301 29.995 29.700 -0.009 0.000 0.739 1447 E HN 0.679 nan 8.360 nan 0.000 0.456 1448 E N 0.030 120.199 120.200 -0.052 0.000 2.012 1448 E HA -0.212 4.138 4.350 -0.000 0.000 0.211 1448 E C 2.114 178.627 176.600 -0.144 0.000 1.029 1448 E CA 2.074 58.427 56.400 -0.079 0.000 0.867 1448 E CB -0.239 29.419 29.700 -0.070 0.000 0.790 1448 E HN 0.359 nan 8.360 nan 0.000 0.482 1449 S N 1.017 116.605 115.700 -0.186 0.000 2.441 1449 S HA -0.204 4.266 4.470 -0.000 0.000 0.242 1449 S C 1.778 176.089 174.600 -0.481 0.000 1.018 1449 S CA 0.975 58.939 58.200 -0.394 0.000 0.988 1449 S CB -0.287 62.725 63.200 -0.313 0.000 0.778 1449 S HN 0.216 nan 8.310 nan 0.000 0.498 1450 L N 1.107 122.221 121.223 -0.181 0.000 2.711 1450 L HA 0.292 4.632 4.340 -0.000 0.000 0.242 1450 L C 1.243 178.086 176.870 -0.046 0.000 1.153 1450 L CA 0.456 55.267 54.840 -0.048 0.000 0.898 1450 L CB -0.140 41.929 42.059 0.016 0.000 1.044 1450 L HN 0.248 nan 8.230 nan 0.000 0.437 1451 V N -2.364 117.476 119.914 -0.123 0.000 3.250 1451 V HA 0.040 4.160 4.120 -0.000 0.000 0.240 1451 V C 2.011 178.063 176.094 -0.069 0.000 1.275 1451 V CA 0.192 62.456 62.300 -0.061 0.000 1.206 1451 V CB 0.029 31.820 31.823 -0.053 0.000 0.976 1451 V HN 0.222 nan 8.190 nan 0.000 0.467 1452 K N 0.099 120.394 120.400 -0.175 0.000 2.360 1452 K HA -0.048 4.272 4.320 -0.000 0.000 0.201 1452 K C 0.197 176.812 176.600 0.025 0.000 1.046 1452 K CA 1.066 57.277 56.287 -0.126 0.000 0.945 1452 K CB -0.134 32.236 32.500 -0.217 0.000 0.750 1452 K HN 0.528 nan 8.250 nan 0.000 0.464 1453 Y N 2.135 122.437 120.300 0.003 0.000 2.636 1453 Y HA 0.161 4.711 4.550 -0.000 0.000 0.334 1453 Y C 0.077 175.980 175.900 0.005 0.000 1.286 1453 Y CA -0.924 57.178 58.100 0.005 0.000 1.688 1453 Y CB -0.384 38.080 38.460 0.006 0.000 1.662 1453 Y HN 0.034 nan 8.280 nan 0.000 0.465 1454 M N 1.556 121.246 119.600 0.150 0.000 2.394 1454 M HA 0.427 4.907 4.480 -0.000 0.000 0.246 1454 M C -3.290 173.044 176.300 0.057 0.000 0.967 1454 M CA -1.312 54.039 55.300 0.084 0.000 0.835 1454 M CB 1.084 33.723 32.600 0.066 0.000 2.169 1454 M HN 0.059 nan 8.290 nan 0.000 0.479 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.118 63.100 0.030 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.024 0.000 0.726