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 1i50_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 VGSWKKDRAT GDADEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESL 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 0.000 176.097 176.094 0.005 0.000 1.182 2 V CA 0.000 62.301 62.300 0.002 0.000 1.235 2 V CB 0.000 31.820 31.823 -0.004 0.000 1.184 3 G N 3.766 112.571 108.800 0.007 0.000 2.338 3 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.296 3 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.296 3 G C 0.542 175.457 174.900 0.025 0.000 1.040 3 G CA 1.138 46.246 45.100 0.012 0.000 1.004 3 G HN 1.812 nan 8.290 nan 0.000 0.509 4 Q N -1.878 117.941 119.800 0.031 0.000 2.173 4 Q HA -0.321 4.019 4.340 -0.001 0.000 0.246 4 Q C 1.151 177.190 176.000 0.065 0.000 0.969 4 Q CA 2.046 57.876 55.803 0.046 0.000 1.043 4 Q CB -0.224 28.535 28.738 0.034 0.000 1.610 4 Q HN 0.938 nan 8.270 nan 0.000 0.593 5 Q N -1.226 118.614 119.800 0.068 0.000 2.286 5 Q HA 0.500 4.839 4.340 -0.001 0.000 0.250 5 Q C -1.395 174.698 176.000 0.154 0.000 1.021 5 Q CA -0.767 55.093 55.803 0.095 0.000 0.930 5 Q CB 1.099 29.875 28.738 0.063 0.000 1.266 5 Q HN 0.177 nan 8.270 nan 0.000 0.491 6 Y N 0.023 120.329 120.300 0.009 0.000 2.485 6 Y HA 0.517 5.066 4.550 -0.001 0.000 0.345 6 Y C -1.283 174.623 175.900 0.010 0.000 0.998 6 Y CA -0.372 57.733 58.100 0.009 0.000 1.059 6 Y CB 2.171 40.636 38.460 0.009 0.000 1.234 6 Y HN 0.614 nan 8.280 nan 0.000 0.461 7 S N 0.980 116.392 115.700 -0.480 0.000 2.736 7 S HA 0.231 4.700 4.470 -0.001 0.000 0.285 7 S C 0.021 174.393 174.600 -0.381 0.000 1.163 7 S CA -0.267 57.773 58.200 -0.267 0.000 1.025 7 S CB 0.927 64.025 63.200 -0.171 0.000 1.030 7 S HN 0.759 nan 8.310 nan 0.000 0.486 8 S N 1.654 117.276 115.700 -0.130 0.000 2.584 8 S HA 0.176 4.645 4.470 -0.001 0.000 0.240 8 S C 0.911 175.468 174.600 -0.072 0.000 0.975 8 S CA 0.093 58.262 58.200 -0.051 0.000 0.949 8 S CB -0.666 62.570 63.200 0.060 0.000 0.761 8 S HN 1.329 nan 8.310 nan 0.000 0.536 9 A N 3.757 126.514 122.820 -0.104 0.000 2.404 9 A HA 0.495 4.815 4.320 -0.001 0.000 0.273 9 A C -1.628 175.907 177.584 -0.083 0.000 1.144 9 A CA -1.624 50.370 52.037 -0.072 0.000 0.806 9 A CB -0.218 18.745 19.000 -0.062 0.000 1.080 9 A HN 0.398 nan 8.150 nan 0.000 0.509 10 P HA 0.068 nan 4.420 nan 0.000 0.262 10 P C -0.360 176.913 177.300 -0.044 0.000 1.199 10 P CA -0.179 62.897 63.100 -0.040 0.000 0.763 10 P CB 0.391 32.079 31.700 -0.020 0.000 0.790 11 L N 5.290 126.484 121.223 -0.048 0.000 2.453 11 L HA 0.188 4.528 4.340 -0.001 0.000 0.272 11 L C 0.454 177.308 176.870 -0.028 0.000 1.182 11 L CA 0.840 55.655 54.840 -0.042 0.000 0.858 11 L CB -0.126 41.909 42.059 -0.041 0.000 1.120 11 L HN 0.446 nan 8.230 nan 0.000 0.474 12 R N 1.868 122.351 120.500 -0.028 0.000 2.781 12 R HA 0.630 4.970 4.340 -0.001 0.000 0.268 12 R C -1.164 175.120 176.300 -0.026 0.000 1.047 12 R CA -0.450 55.636 56.100 -0.024 0.000 0.925 12 R CB 1.747 32.034 30.300 -0.022 0.000 1.246 12 R HN 0.681 nan 8.270 nan 0.000 0.456 13 T N -2.024 112.515 114.554 -0.025 0.000 2.887 13 T HA 0.444 4.794 4.350 -0.001 0.000 0.288 13 T C -0.055 174.626 174.700 -0.033 0.000 1.021 13 T CA -0.760 61.322 62.100 -0.029 0.000 1.000 13 T CB 1.673 70.525 68.868 -0.028 0.000 1.034 13 T HN 0.167 nan 8.240 nan 0.000 0.467 14 V N 4.088 123.979 119.914 -0.038 0.000 2.485 14 V HA 0.161 4.281 4.120 -0.001 0.000 0.287 14 V C 1.094 177.162 176.094 -0.043 0.000 1.022 14 V CA -0.054 62.217 62.300 -0.048 0.000 1.067 14 V CB 0.372 32.160 31.823 -0.057 0.000 0.967 14 V HN 0.880 nan 8.190 nan 0.000 0.479 15 K N 2.941 123.315 120.400 -0.043 0.000 2.313 15 K HA 0.326 4.646 4.320 -0.001 0.000 0.197 15 K C 0.400 176.976 176.600 -0.041 0.000 1.061 15 K CA 0.444 56.712 56.287 -0.033 0.000 0.980 15 K CB 0.848 33.335 32.500 -0.022 0.000 0.888 15 K HN 0.708 nan 8.250 nan 0.000 0.502 16 E N 0.390 120.552 120.200 -0.063 0.000 2.356 16 E HA 0.365 4.714 4.350 -0.001 0.000 0.275 16 E C -1.388 175.125 176.600 -0.144 0.000 0.904 16 E CA -0.671 55.679 56.400 -0.084 0.000 0.757 16 E CB 3.109 32.763 29.700 -0.076 0.000 1.232 16 E HN -0.293 nan 8.360 nan 0.000 0.442 17 V N 2.442 122.242 119.914 -0.191 0.000 2.443 17 V HA 0.181 4.301 4.120 -0.001 0.000 0.293 17 V C -0.726 175.095 176.094 -0.456 0.000 1.021 17 V CA -0.720 61.362 62.300 -0.363 0.000 0.848 17 V CB 1.576 33.130 31.823 -0.447 0.000 0.998 17 V HN 0.541 nan 8.190 nan 0.000 0.424 18 Q N 4.700 124.203 119.800 -0.494 0.000 2.390 18 Q HA 0.507 4.847 4.340 -0.001 0.000 0.249 18 Q C -1.087 174.565 176.000 -0.581 0.000 0.996 18 Q CA 0.025 55.519 55.803 -0.516 0.000 0.899 18 Q CB 0.591 28.959 28.738 -0.616 0.000 1.216 18 Q HN 0.520 nan 8.270 nan 0.000 0.465 19 F N 1.919 121.719 119.950 -0.249 0.000 2.378 19 F HA 0.791 5.318 4.527 -0.001 0.000 0.319 19 F C 1.385 177.084 175.800 -0.169 0.000 1.155 19 F CA 1.018 58.914 58.000 -0.173 0.000 1.157 19 F CB 1.486 40.429 39.000 -0.095 0.000 1.252 19 F HN 0.672 nan 8.300 nan 0.000 0.550 20 G N 0.226 109.105 108.800 0.131 0.000 2.320 20 G HA2 0.420 4.379 3.960 -0.001 0.000 0.296 20 G HA3 0.420 4.379 3.960 -0.001 0.000 0.296 20 G C -2.169 172.796 174.900 0.108 0.000 1.306 20 G CA -1.140 44.039 45.100 0.131 0.000 0.836 20 G HN 0.542 nan 8.290 nan 0.000 0.517 21 L N 0.124 121.445 121.223 0.163 0.000 2.334 21 L HA 0.549 4.889 4.340 -0.001 0.000 0.275 21 L C -0.359 176.529 176.870 0.031 0.000 1.036 21 L CA -0.733 54.190 54.840 0.137 0.000 0.807 21 L CB 1.978 44.166 42.059 0.215 0.000 1.231 21 L HN 0.478 nan 8.230 nan 0.000 0.438 22 F N 1.702 121.601 119.950 -0.085 0.000 2.444 22 F HA 0.125 4.652 4.527 -0.001 0.000 0.360 22 F C 1.048 176.568 175.800 -0.466 0.000 1.106 22 F CA -0.616 57.243 58.000 -0.234 0.000 1.170 22 F CB 1.238 40.169 39.000 -0.114 0.000 1.113 22 F HN 0.604 nan 8.300 nan 0.000 0.521 23 S N 6.192 121.515 115.700 -0.628 0.000 2.601 23 S HA 0.267 4.736 4.470 -0.001 0.000 0.271 23 S C -1.546 172.790 174.600 -0.441 0.000 1.305 23 S CA -1.305 56.212 58.200 -1.137 0.000 1.022 23 S CB 1.467 63.678 63.200 -1.649 0.000 0.940 23 S HN 0.469 nan 8.310 nan 0.000 0.525 24 P HA -0.141 nan 4.420 nan 0.000 0.216 24 P C 0.849 178.074 177.300 -0.126 0.000 1.150 24 P CA 1.362 64.395 63.100 -0.112 0.000 0.837 24 P CB 0.048 31.747 31.700 -0.002 0.000 0.786 25 E N 0.454 120.581 120.200 -0.121 0.000 2.031 25 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 25 E C 2.259 178.774 176.600 -0.142 0.000 0.994 25 E CA 1.367 57.707 56.400 -0.099 0.000 0.800 25 E CB -0.905 28.762 29.700 -0.054 0.000 0.752 25 E HN 0.425 nan 8.360 nan 0.000 0.447 26 E N 0.325 120.424 120.200 -0.168 0.000 2.077 26 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 26 E C 1.943 178.384 176.600 -0.265 0.000 0.989 26 E CA 1.293 57.612 56.400 -0.135 0.000 0.800 26 E CB 0.089 29.782 29.700 -0.012 0.000 0.746 26 E HN 0.072 nan 8.360 nan 0.000 0.452 27 V N 1.031 120.681 119.914 -0.440 0.000 2.546 27 V HA -0.284 3.836 4.120 -0.001 0.000 0.254 27 V C 2.337 178.249 176.094 -0.305 0.000 1.076 27 V CA 2.124 64.080 62.300 -0.573 0.000 1.087 27 V CB -0.575 30.977 31.823 -0.452 0.000 0.674 27 V HN 0.253 nan 8.190 nan 0.000 0.470 28 R N -0.203 120.141 120.500 -0.260 0.000 2.064 28 R HA 0.126 4.466 4.340 -0.001 0.000 0.221 28 R C 2.553 178.704 176.300 -0.249 0.000 1.136 28 R CA 1.099 56.991 56.100 -0.347 0.000 0.980 28 R CB -0.650 29.444 30.300 -0.343 0.000 0.876 28 R HN 0.461 nan 8.270 nan 0.000 0.437 29 A N 1.873 124.590 122.820 -0.172 0.000 1.971 29 A HA -0.214 4.106 4.320 -0.001 0.000 0.222 29 A C 2.126 179.660 177.584 -0.083 0.000 1.182 29 A CA 2.048 54.020 52.037 -0.110 0.000 0.649 29 A CB -0.732 18.224 19.000 -0.073 0.000 0.818 29 A HN 0.545 nan 8.150 nan 0.000 0.458 30 I N -2.436 118.084 120.570 -0.083 0.000 3.645 30 I HA 0.138 4.307 4.170 -0.001 0.000 0.300 30 I C 1.131 177.244 176.117 -0.007 0.000 1.260 30 I CA 0.457 61.740 61.300 -0.028 0.000 1.365 30 I CB -0.200 37.805 38.000 0.008 0.000 1.077 30 I HN 0.249 nan 8.210 nan 0.000 0.439 31 S N 1.591 117.262 115.700 -0.048 0.000 2.576 31 S HA 0.166 4.636 4.470 -0.001 0.000 0.272 31 S C 1.125 175.731 174.600 0.010 0.000 1.352 31 S CA -0.048 58.163 58.200 0.017 0.000 1.021 31 S CB 1.563 64.767 63.200 0.007 0.000 0.887 31 S HN 0.348 nan 8.310 nan 0.000 0.542 32 V N -0.932 119.011 119.914 0.048 0.000 2.627 32 V HA 0.568 4.688 4.120 -0.001 0.000 0.239 32 V C 1.110 177.210 176.094 0.011 0.000 1.077 32 V CA 0.468 62.775 62.300 0.012 0.000 1.103 32 V CB -1.507 30.322 31.823 0.009 0.000 0.802 32 V HN 1.127 nan 8.190 nan 0.000 0.482 33 A N -0.020 122.824 122.820 0.040 0.000 2.263 33 A HA 0.689 5.008 4.320 -0.001 0.000 0.318 33 A C 1.043 178.689 177.584 0.104 0.000 1.111 33 A CA 0.130 52.190 52.037 0.038 0.000 0.901 33 A CB 1.518 20.528 19.000 0.017 0.000 1.280 33 A HN 0.352 nan 8.150 nan 0.000 0.503 34 K N -1.055 119.392 120.400 0.078 0.000 2.367 34 K HA 0.414 4.733 4.320 -0.001 0.000 0.198 34 K C -0.710 175.849 176.600 -0.069 0.000 1.132 34 K CA 0.337 56.691 56.287 0.111 0.000 0.941 34 K CB -0.046 32.519 32.500 0.109 0.000 1.052 34 K HN 0.707 nan 8.250 nan 0.000 0.507 35 I N 1.982 122.514 120.570 -0.062 0.000 7.989 35 I HA -0.316 3.854 4.170 -0.001 0.000 0.126 35 I C 0.111 176.169 176.117 -0.098 0.000 1.847 35 I CA 0.163 61.416 61.300 -0.077 0.000 2.041 35 I CB -0.377 37.580 38.000 -0.072 0.000 3.747 35 I HN 0.342 nan 8.210 nan 0.000 0.170 36 R N 4.810 125.254 120.500 -0.093 0.000 2.207 36 R HA 0.422 4.762 4.340 -0.001 0.000 0.180 36 R C 0.209 176.555 176.300 0.078 0.000 1.445 36 R CA -0.239 55.817 56.100 -0.072 0.000 1.217 36 R CB 0.101 30.284 30.300 -0.194 0.000 1.135 36 R HN 0.302 nan 8.270 nan 0.000 0.481 37 F N 4.752 124.679 119.950 -0.039 0.000 2.593 37 F HA -0.013 4.514 4.527 -0.000 0.000 0.393 37 F C -1.112 174.667 175.800 -0.035 0.000 1.037 37 F CA -1.400 56.580 58.000 -0.033 0.000 1.195 37 F CB 0.686 39.672 39.000 -0.024 0.000 1.034 37 F HN 0.135 nan 8.300 nan 0.000 0.552 38 P HA -0.011 nan 4.420 nan 0.000 0.245 38 P C -0.398 176.923 177.300 0.035 0.000 1.212 38 P CA 0.757 63.885 63.100 0.047 0.000 0.774 38 P CB 0.258 31.961 31.700 0.005 0.000 0.999 39 E N -0.489 119.737 120.200 0.042 0.000 2.285 39 E HA 0.577 4.927 4.350 -0.001 0.000 0.254 39 E C -0.454 176.181 176.600 0.057 0.000 1.011 39 E CA -0.660 55.751 56.400 0.019 0.000 0.873 39 E CB 1.114 30.784 29.700 -0.051 0.000 1.229 39 E HN -0.222 nan 8.360 nan 0.000 0.422 40 T N 0.862 115.443 114.554 0.046 0.000 3.097 40 T HA 0.374 4.724 4.350 -0.001 0.000 0.332 40 T C -1.025 173.700 174.700 0.041 0.000 1.269 40 T CA -0.740 61.392 62.100 0.053 0.000 1.076 40 T CB 0.771 69.669 68.868 0.050 0.000 1.209 40 T HN 0.571 nan 8.240 nan 0.000 0.474 41 M N 2.494 122.119 119.600 0.041 0.000 4.056 41 M HA -0.105 4.375 4.480 -0.001 0.000 0.157 41 M C -1.363 174.951 176.300 0.024 0.000 1.531 41 M CA 0.394 55.713 55.300 0.032 0.000 1.097 41 M CB -0.340 32.277 32.600 0.029 0.000 1.345 41 M HN 0.966 nan 8.290 nan 0.000 0.190 42 D N 1.535 121.948 120.400 0.022 0.000 4.303 42 D HA -0.072 4.567 4.640 -0.001 0.000 0.230 42 D C -0.909 175.398 176.300 0.011 0.000 1.172 42 D CA 0.827 54.835 54.000 0.013 0.000 1.001 42 D CB -0.250 40.552 40.800 0.004 0.000 0.641 42 D HN 0.682 nan 8.370 nan 0.000 0.296 43 E N 0.835 121.047 120.200 0.020 0.000 2.400 43 E HA 0.361 4.711 4.350 -0.001 0.000 0.232 43 E C -0.126 176.483 176.600 0.014 0.000 0.988 43 E CA -0.509 55.907 56.400 0.026 0.000 0.823 43 E CB 0.656 30.385 29.700 0.048 0.000 1.246 43 E HN 0.331 nan 8.360 nan 0.000 0.441 44 T N 1.773 116.327 114.554 -0.000 0.000 4.393 44 T HA -0.228 4.121 4.350 -0.001 0.000 0.334 44 T C 0.666 175.366 174.700 -0.000 0.000 0.761 44 T CA 1.044 63.142 62.100 -0.003 0.000 1.979 44 T CB -1.545 67.326 68.868 0.003 0.000 1.898 44 T HN 0.774 nan 8.240 nan 0.000 0.941 45 Q N -2.285 117.514 119.800 -0.001 0.000 6.508 45 Q HA -0.168 4.171 4.340 -0.001 0.000 0.313 45 Q C 0.323 176.328 176.000 0.007 0.000 1.832 45 Q CA 1.606 57.410 55.803 0.002 0.000 0.475 45 Q CB -1.866 26.873 28.738 0.002 0.000 0.228 45 Q HN 0.654 nan 8.270 nan 0.000 0.785 46 T N 3.889 118.449 114.554 0.009 0.000 2.669 46 T HA -0.010 4.340 4.350 -0.001 0.000 0.245 46 T C 0.371 175.080 174.700 0.015 0.000 1.053 46 T CA 0.569 62.677 62.100 0.012 0.000 1.387 46 T CB -0.326 68.550 68.868 0.014 0.000 1.045 46 T HN 0.103 nan 8.240 nan 0.000 0.531 47 R N 1.660 122.169 120.500 0.015 0.000 2.905 47 R HA 0.410 4.750 4.340 -0.001 0.000 0.273 47 R C 1.053 177.364 176.300 0.018 0.000 1.033 47 R CA 0.328 56.439 56.100 0.017 0.000 1.182 47 R CB 0.151 30.462 30.300 0.017 0.000 1.097 47 R HN 0.733 nan 8.270 nan 0.000 0.504 48 A N -0.155 122.676 122.820 0.019 0.000 3.564 48 A HA 0.067 4.386 4.320 -0.001 0.000 0.053 48 A C -1.278 176.318 177.584 0.020 0.000 1.299 48 A CA -0.298 51.750 52.037 0.018 0.000 1.187 48 A CB -0.010 19.001 19.000 0.018 0.000 0.836 48 A HN 0.547 nan 8.150 nan 0.000 0.400 49 K N -0.706 119.709 120.400 0.025 0.000 2.579 49 K HA 0.755 5.075 4.320 -0.001 0.000 0.284 49 K C -1.551 175.075 176.600 0.044 0.000 0.990 49 K CA -0.452 55.854 56.287 0.030 0.000 0.880 49 K CB 2.148 34.660 32.500 0.020 0.000 1.488 49 K HN 0.589 nan 8.250 nan 0.000 0.425 50 I N -0.214 120.392 120.570 0.061 0.000 2.797 50 I HA 0.282 4.452 4.170 -0.001 0.000 0.307 50 I C 1.271 177.419 176.117 0.052 0.000 1.033 50 I CA -0.830 60.526 61.300 0.092 0.000 1.071 50 I CB 1.898 40.011 38.000 0.188 0.000 1.255 50 I HN 0.908 nan 8.210 nan 0.000 0.445 51 G N 2.120 110.928 108.800 0.012 0.000 2.916 51 G HA2 0.019 3.979 3.960 -0.001 0.000 0.205 51 G HA3 0.019 3.979 3.960 -0.001 0.000 0.205 51 G C 1.013 175.869 174.900 -0.073 0.000 1.163 51 G CA 0.694 45.764 45.100 -0.049 0.000 0.821 51 G HN 0.906 nan 8.290 nan 0.000 0.515 52 G N -0.330 108.466 108.800 -0.007 0.000 2.599 52 G HA2 0.404 4.364 3.960 -0.001 0.000 0.210 52 G HA3 0.404 4.364 3.960 -0.001 0.000 0.210 52 G C 0.352 175.263 174.900 0.017 0.000 1.177 52 G CA -0.034 45.073 45.100 0.012 0.000 0.835 52 G HN 0.336 nan 8.290 nan 0.000 0.575 53 L N -0.960 120.286 121.223 0.038 0.000 2.376 53 L HA 0.364 4.703 4.340 -0.001 0.000 0.258 53 L C -0.519 176.357 176.870 0.011 0.000 1.013 53 L CA -0.855 53.994 54.840 0.015 0.000 0.822 53 L CB 2.271 44.341 42.059 0.018 0.000 1.388 53 L HN 0.291 nan 8.230 nan 0.000 0.413 54 N N 1.172 119.868 118.700 -0.007 0.000 2.714 54 N HA -0.241 4.499 4.740 -0.001 0.000 0.250 54 N C -0.341 175.168 175.510 -0.003 0.000 1.117 54 N CA 1.501 54.545 53.050 -0.011 0.000 0.719 54 N CB -0.838 37.645 38.487 -0.008 0.000 1.081 54 N HN 0.879 nan 8.380 nan 0.000 0.557 55 D N -3.296 117.104 120.400 0.000 0.000 1.549 55 D HA 0.026 4.666 4.640 -0.001 0.000 0.673 55 D C -1.760 174.540 176.300 0.001 0.000 0.858 55 D CA 0.570 54.572 54.000 0.004 0.000 1.191 55 D CB -0.543 40.262 40.800 0.008 0.000 1.664 55 D HN 0.009 nan 8.370 nan 0.000 0.479 56 P HA -0.217 nan 4.420 nan 0.000 0.225 56 P C 0.569 177.860 177.300 -0.014 0.000 1.155 56 P CA 1.819 64.912 63.100 -0.013 0.000 0.863 56 P CB 0.152 31.842 31.700 -0.018 0.000 0.774 57 R N -4.451 116.045 120.500 -0.007 0.000 1.961 57 R HA 0.152 4.491 4.340 -0.001 0.000 0.056 57 R C 0.859 177.169 176.300 0.017 0.000 0.825 57 R CA -0.253 55.836 56.100 -0.018 0.000 3.086 57 R CB -0.280 29.999 30.300 -0.036 0.000 1.119 57 R HN 0.066 nan 8.270 nan 0.000 0.539 58 L N 1.676 122.924 121.223 0.041 0.000 2.477 58 L HA 0.044 4.383 4.340 -0.001 0.000 0.289 58 L C 1.379 178.305 176.870 0.093 0.000 1.279 58 L CA 0.778 55.665 54.840 0.078 0.000 0.825 58 L CB -0.253 41.810 42.059 0.008 0.000 1.085 58 L HN 0.209 nan 8.230 nan 0.000 0.548 59 G N 0.432 109.285 108.800 0.088 0.000 2.818 59 G HA2 0.201 4.160 3.960 -0.001 0.000 0.235 59 G HA3 0.201 4.160 3.960 -0.001 0.000 0.235 59 G C 0.157 175.073 174.900 0.027 0.000 1.244 59 G CA 0.133 45.269 45.100 0.060 0.000 0.853 59 G HN 0.801 nan 8.290 nan 0.000 0.596 60 S N -0.343 115.370 115.700 0.022 0.000 2.798 60 S HA 0.828 5.298 4.470 -0.001 0.000 0.312 60 S C 0.061 174.657 174.600 -0.006 0.000 1.122 60 S CA -0.901 57.304 58.200 0.008 0.000 0.949 60 S CB 1.674 64.882 63.200 0.015 0.000 1.235 60 S HN 0.582 nan 8.310 nan 0.000 0.552 61 I N -1.323 119.242 120.570 -0.009 0.000 3.722 61 I HA 0.450 4.620 4.170 -0.001 0.000 0.285 61 I C -0.614 175.497 176.117 -0.010 0.000 1.140 61 I CA -1.010 60.280 61.300 -0.016 0.000 1.178 61 I CB 0.641 38.626 38.000 -0.025 0.000 1.359 61 I HN 0.595 nan 8.210 nan 0.000 0.456 62 D N 1.419 121.811 120.400 -0.013 0.000 2.911 62 D HA -0.189 4.450 4.640 -0.001 0.000 0.227 62 D C 0.214 176.512 176.300 -0.004 0.000 1.164 62 D CA 0.979 54.975 54.000 -0.007 0.000 0.782 62 D CB -0.557 40.242 40.800 -0.002 0.000 1.094 62 D HN 0.636 nan 8.370 nan 0.000 0.425 63 R N -2.048 118.448 120.500 -0.007 0.000 3.863 63 R HA -0.211 4.129 4.340 -0.001 0.000 0.313 63 R C -0.239 176.062 176.300 0.001 0.000 1.202 63 R CA 0.754 56.852 56.100 -0.003 0.000 0.852 63 R CB -1.724 28.574 30.300 -0.002 0.000 1.292 63 R HN 0.266 nan 8.270 nan 0.000 0.519 64 N N 1.366 120.068 118.700 0.002 0.000 2.422 64 N HA 0.110 4.849 4.740 -0.001 0.000 0.264 64 N C 1.456 176.972 175.510 0.010 0.000 1.063 64 N CA -0.065 52.988 53.050 0.006 0.000 0.959 64 N CB 0.828 39.319 38.487 0.006 0.000 1.087 64 N HN 0.144 nan 8.380 nan 0.000 0.483 65 L N 1.458 122.688 121.223 0.011 0.000 2.131 65 L HA -0.068 4.272 4.340 -0.001 0.000 0.210 65 L C 0.990 177.872 176.870 0.020 0.000 1.092 65 L CA 0.984 55.834 54.840 0.016 0.000 0.759 65 L CB -0.321 41.747 42.059 0.015 0.000 0.903 65 L HN 0.331 nan 8.230 nan 0.000 0.435 66 K N 0.327 120.736 120.400 0.015 0.000 2.530 66 K HA -0.069 4.251 4.320 -0.001 0.000 0.280 66 K C -0.243 176.369 176.600 0.020 0.000 1.004 66 K CA 0.303 56.597 56.287 0.013 0.000 1.071 66 K CB 0.453 32.957 32.500 0.007 0.000 0.876 66 K HN 0.226 nan 8.250 nan 0.000 0.487 67 C N 4.095 123.406 119.300 0.019 0.000 2.474 67 C HA 0.079 4.538 4.460 -0.001 0.000 0.270 67 C C -0.397 174.582 174.990 -0.019 0.000 0.860 67 C CA -0.267 58.772 59.018 0.035 0.000 0.818 67 C CB -1.325 26.471 27.740 0.094 0.000 1.638 67 C HN 1.106 nan 8.230 nan 0.000 0.729 68 Q N 1.141 120.905 119.800 -0.059 0.000 2.506 68 Q HA -0.197 4.143 4.340 -0.001 0.000 0.268 68 Q C 0.899 176.852 176.000 -0.079 0.000 1.002 68 Q CA 1.068 56.801 55.803 -0.115 0.000 1.052 68 Q CB -1.690 26.878 28.738 -0.284 0.000 1.383 68 Q HN 1.027 nan 8.270 nan 0.000 0.537 69 T N -3.858 110.675 114.554 -0.034 0.000 7.013 69 T HA -0.340 4.010 4.350 -0.001 0.000 0.288 69 T C 1.199 175.901 174.700 0.003 0.000 2.146 69 T CA 1.523 63.614 62.100 -0.015 0.000 3.498 69 T CB -2.401 66.455 68.868 -0.020 0.000 1.517 69 T HN 0.884 nan 8.240 nan 0.000 1.113 70 C N 1.919 121.226 119.300 0.011 0.000 2.491 70 C HA 0.344 4.804 4.460 -0.001 0.000 0.277 70 C C 1.731 176.757 174.990 0.060 0.000 1.455 70 C CA 0.433 59.485 59.018 0.057 0.000 1.758 70 C CB -1.301 26.524 27.740 0.141 0.000 1.745 70 C HN 0.784 nan 8.230 nan 0.000 0.558 71 Q N 0.623 120.450 119.800 0.044 0.000 1.764 71 Q HA -0.331 4.008 4.340 -0.001 0.000 0.419 71 Q C 0.815 176.840 176.000 0.042 0.000 0.871 71 Q CA 1.955 57.779 55.803 0.036 0.000 0.756 71 Q CB -1.059 27.695 28.738 0.027 0.000 4.074 71 Q HN 0.729 nan 8.270 nan 0.000 0.739 72 E N -1.468 118.751 120.200 0.031 0.000 3.073 72 E HA -0.269 4.080 4.350 -0.001 0.000 0.365 72 E C 0.331 176.942 176.600 0.019 0.000 1.400 72 E CA 0.973 57.389 56.400 0.026 0.000 1.267 72 E CB -1.730 27.987 29.700 0.029 0.000 1.638 72 E HN 1.226 nan 8.360 nan 0.000 0.500 73 G N -0.862 107.948 108.800 0.017 0.000 2.337 73 G HA2 0.316 4.275 3.960 -0.001 0.000 0.298 73 G HA3 0.316 4.275 3.960 -0.001 0.000 0.298 73 G C -0.178 174.721 174.900 -0.001 0.000 1.335 73 G CA -0.144 44.961 45.100 0.008 0.000 0.875 73 G HN 0.171 nan 8.290 nan 0.000 0.579 74 M N 0.900 120.495 119.600 -0.007 0.000 2.771 74 M HA 0.024 4.503 4.480 -0.001 0.000 0.246 74 M C 1.285 177.573 176.300 -0.020 0.000 1.054 74 M CA 0.872 56.162 55.300 -0.018 0.000 1.068 74 M CB -0.296 32.290 32.600 -0.022 0.000 1.452 74 M HN 0.429 nan 8.290 nan 0.000 0.549 75 N N -0.757 117.934 118.700 -0.014 0.000 2.211 75 N HA 0.048 4.787 4.740 -0.001 0.000 0.216 75 N C 0.775 176.277 175.510 -0.012 0.000 1.240 75 N CA 0.393 53.435 53.050 -0.014 0.000 0.895 75 N CB 0.651 39.132 38.487 -0.010 0.000 1.102 75 N HN 0.261 nan 8.380 nan 0.000 0.498 76 E N 0.070 120.265 120.200 -0.008 0.000 2.434 76 E HA 0.155 4.505 4.350 -0.001 0.000 0.207 76 E C 0.133 176.726 176.600 -0.011 0.000 0.929 76 E CA -0.037 56.359 56.400 -0.005 0.000 1.001 76 E CB 0.436 30.140 29.700 0.005 0.000 1.016 76 E HN 0.084 nan 8.360 nan 0.000 0.502 77 C N 4.372 123.662 119.300 -0.016 0.000 2.566 77 C HA 0.318 4.777 4.460 -0.001 0.000 0.393 77 C C -2.019 172.914 174.990 -0.094 0.000 1.309 77 C CA -1.589 57.407 59.018 -0.036 0.000 1.801 77 C CB -0.209 27.526 27.740 -0.008 0.000 2.493 77 C HN 0.172 nan 8.230 nan 0.000 0.575 78 P HA 0.227 nan 4.420 nan 0.000 0.232 78 P C 0.477 177.614 177.300 -0.272 0.000 1.814 78 P CA 0.445 63.456 63.100 -0.148 0.000 1.085 78 P CB -0.051 31.592 31.700 -0.096 0.000 1.901 79 G N 3.707 112.366 108.800 -0.235 0.000 2.942 79 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.290 79 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.290 79 G C -0.216 174.500 174.900 -0.306 0.000 0.295 79 G CA -0.118 44.833 45.100 -0.248 0.000 1.201 79 G HN 0.586 nan 8.290 nan 0.000 0.204 80 H N 1.504 120.576 119.070 0.002 0.000 2.473 80 H HA 0.331 4.886 4.556 -0.001 0.000 0.327 80 H C 0.175 175.517 175.328 0.023 0.000 1.105 80 H CA -0.530 55.554 56.048 0.060 0.000 1.280 80 H CB 1.001 30.788 29.762 0.043 0.000 1.450 80 H HN 0.352 nan 8.280 nan 0.000 0.492 81 F N 0.816 120.843 119.950 0.129 0.000 2.429 81 F HA 0.254 4.781 4.527 -0.000 0.000 0.348 81 F C 1.418 177.257 175.800 0.066 0.000 1.109 81 F CA 0.412 58.462 58.000 0.083 0.000 1.232 81 F CB 0.897 39.941 39.000 0.073 0.000 1.157 81 F HN 0.539 nan 8.300 nan 0.000 0.564 82 G N 0.862 109.748 108.800 0.144 0.000 2.511 82 G HA2 0.408 4.367 3.960 -0.001 0.000 0.316 82 G HA3 0.408 4.367 3.960 -0.001 0.000 0.316 82 G C -1.829 173.180 174.900 0.182 0.000 1.210 82 G CA -0.233 44.939 45.100 0.119 0.000 0.969 82 G HN 0.696 nan 8.290 nan 0.000 0.492 83 H N -1.362 117.715 119.070 0.011 0.000 2.834 83 H HA 0.744 5.300 4.556 -0.001 0.000 0.369 83 H C -1.008 174.305 175.328 -0.026 0.000 1.174 83 H CA -1.244 54.794 56.048 -0.017 0.000 1.165 83 H CB 1.832 31.576 29.762 -0.031 0.000 1.820 83 H HN 0.571 nan 8.280 nan 0.000 0.558 84 I N 3.550 123.749 120.570 -0.617 0.000 2.548 84 I HA 0.088 4.258 4.170 -0.001 0.000 0.258 84 I C -1.610 174.275 176.117 -0.387 0.000 1.335 84 I CA -0.472 60.543 61.300 -0.475 0.000 1.208 84 I CB 0.522 38.395 38.000 -0.211 0.000 1.540 84 I HN 0.602 nan 8.210 nan 0.000 0.450 85 D N 7.384 127.520 120.400 -0.440 0.000 2.443 85 D HA 0.287 4.926 4.640 -0.001 0.000 0.239 85 D C -0.233 176.003 176.300 -0.106 0.000 1.136 85 D CA 0.373 54.261 54.000 -0.186 0.000 0.879 85 D CB 1.755 42.487 40.800 -0.113 0.000 1.195 85 D HN 0.421 nan 8.370 nan 0.000 0.443 86 L N 1.669 122.861 121.223 -0.052 0.000 2.282 86 L HA 0.274 4.614 4.340 -0.001 0.000 0.288 86 L C 1.508 178.366 176.870 -0.020 0.000 1.033 86 L CA -0.770 54.051 54.840 -0.032 0.000 0.807 86 L CB 1.703 43.755 42.059 -0.012 0.000 1.209 86 L HN 0.438 nan 8.230 nan 0.000 0.423 87 A N 3.698 126.507 122.820 -0.019 0.000 1.917 87 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 87 A C 0.948 178.527 177.584 -0.008 0.000 1.182 87 A CA 1.532 53.562 52.037 -0.011 0.000 0.633 87 A CB -0.071 18.925 19.000 -0.006 0.000 0.819 87 A HN 0.615 nan 8.150 nan 0.000 0.448 88 K N -1.101 119.293 120.400 -0.010 0.000 2.395 88 K HA 0.456 4.776 4.320 -0.001 0.000 0.247 88 K C -3.074 173.514 176.600 -0.019 0.000 0.973 88 K CA -2.348 53.929 56.287 -0.017 0.000 0.828 88 K CB 1.782 34.268 32.500 -0.025 0.000 1.272 88 K HN 0.065 nan 8.250 nan 0.000 0.439 89 P HA 0.270 nan 4.420 nan 0.000 0.274 89 P C -0.607 176.659 177.300 -0.055 0.000 1.237 89 P CA -0.390 62.697 63.100 -0.022 0.000 0.793 89 P CB 0.988 32.672 31.700 -0.027 0.000 0.977 90 V N 1.841 121.746 119.914 -0.015 0.000 3.049 90 V HA 0.303 4.422 4.120 -0.001 0.000 0.309 90 V C -0.294 175.868 176.094 0.113 0.000 1.148 90 V CA -0.620 61.662 62.300 -0.030 0.000 0.990 90 V CB 1.965 33.804 31.823 0.026 0.000 1.039 90 V HN 0.325 nan 8.190 nan 0.000 0.430 91 F N 1.828 121.832 119.950 0.089 0.000 2.471 91 F HA 0.319 4.846 4.527 -0.001 0.000 0.353 91 F C 0.571 176.483 175.800 0.186 0.000 1.113 91 F CA -0.332 57.747 58.000 0.131 0.000 1.262 91 F CB 0.080 39.150 39.000 0.117 0.000 1.146 91 F HN 0.565 nan 8.300 nan 0.000 0.578 92 H N 2.491 121.759 119.070 0.329 0.000 2.604 92 H HA 0.335 4.891 4.556 -0.000 0.000 0.306 92 H C 0.958 176.371 175.328 0.141 0.000 1.075 92 H CA -0.703 55.480 56.048 0.226 0.000 1.357 92 H CB 1.069 31.000 29.762 0.281 0.000 1.426 92 H HN 0.484 nan 8.280 nan 0.000 0.470 93 V N 3.207 123.329 119.914 0.346 0.000 2.252 93 V HA -0.340 3.780 4.120 -0.001 0.000 0.255 93 V C 2.413 178.580 176.094 0.123 0.000 1.071 93 V CA 2.158 64.587 62.300 0.216 0.000 1.050 93 V CB -1.383 30.523 31.823 0.139 0.000 0.654 93 V HN 0.943 nan 8.190 nan 0.000 0.448 94 G N -1.130 107.698 108.800 0.047 0.000 2.498 94 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.219 94 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.219 94 G C 1.093 175.470 174.900 -0.873 0.000 1.119 94 G CA 0.851 45.610 45.100 -0.568 0.000 0.766 94 G HN 0.617 nan 8.290 nan 0.000 0.552 95 F N -0.540 119.255 119.950 -0.260 0.000 2.706 95 F HA 0.412 4.939 4.527 -0.001 0.000 0.313 95 F C 2.004 177.710 175.800 -0.156 0.000 1.096 95 F CA -0.693 57.186 58.000 -0.201 0.000 1.219 95 F CB 0.249 39.116 39.000 -0.221 0.000 1.051 95 F HN 0.004 nan 8.300 nan 0.000 0.568 96 I N 0.565 121.109 120.570 -0.044 0.000 2.194 96 I HA -0.382 3.787 4.170 -0.001 0.000 0.246 96 I C 2.693 178.741 176.117 -0.116 0.000 1.093 96 I CA 1.514 62.707 61.300 -0.178 0.000 1.355 96 I CB -0.521 37.421 38.000 -0.096 0.000 1.046 96 I HN 0.222 nan 8.210 nan 0.000 0.413 97 A N 0.570 123.351 122.820 -0.064 0.000 1.883 97 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 97 A C 2.386 179.953 177.584 -0.029 0.000 1.186 97 A CA 1.541 53.543 52.037 -0.058 0.000 0.624 97 A CB -0.399 18.556 19.000 -0.075 0.000 0.822 97 A HN 0.225 nan 8.150 nan 0.000 0.444 98 K N -0.274 120.143 120.400 0.028 0.000 1.985 98 K HA -0.090 4.230 4.320 -0.001 0.000 0.210 98 K C 1.933 178.617 176.600 0.140 0.000 1.047 98 K CA 1.552 57.904 56.287 0.108 0.000 0.932 98 K CB -0.677 31.940 32.500 0.194 0.000 0.716 98 K HN 0.603 nan 8.250 nan 0.000 0.439 99 I N 1.394 122.030 120.570 0.110 0.000 2.145 99 I HA -0.377 3.793 4.170 -0.001 0.000 0.244 99 I C 2.683 178.895 176.117 0.158 0.000 1.075 99 I CA 1.539 62.932 61.300 0.155 0.000 1.332 99 I CB -0.368 37.534 38.000 -0.162 0.000 1.033 99 I HN 0.263 nan 8.210 nan 0.000 0.410 100 K N 1.610 122.033 120.400 0.039 0.000 1.985 100 K HA -0.223 4.096 4.320 -0.001 0.000 0.210 100 K C 2.173 178.865 176.600 0.154 0.000 1.047 100 K CA 1.650 57.983 56.287 0.077 0.000 0.932 100 K CB -0.061 32.459 32.500 0.033 0.000 0.716 100 K HN 0.182 nan 8.250 nan 0.000 0.439 101 K N 0.279 120.738 120.400 0.099 0.000 2.103 101 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 101 K C 2.023 178.780 176.600 0.262 0.000 1.048 101 K CA 1.511 57.836 56.287 0.064 0.000 0.930 101 K CB -0.088 32.229 32.500 -0.306 0.000 0.716 101 K HN 0.038 nan 8.250 nan 0.000 0.444 102 V N 0.816 120.916 119.914 0.310 0.000 2.358 102 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 102 V C 2.314 178.573 176.094 0.275 0.000 1.047 102 V CA 1.487 63.950 62.300 0.271 0.000 1.035 102 V CB -0.404 31.401 31.823 -0.029 0.000 0.658 102 V HN 0.440 nan 8.190 nan 0.000 0.452 103 C N 0.007 119.507 119.300 0.334 0.000 2.419 103 C HA -0.105 4.355 4.460 -0.001 0.000 0.281 103 C C 2.381 177.502 174.990 0.219 0.000 1.336 103 C CA 0.720 59.920 59.018 0.304 0.000 1.770 103 C CB -1.118 26.774 27.740 0.253 0.000 1.929 103 C HN 0.619 nan 8.230 nan 0.000 0.509 104 E N -1.147 119.195 120.200 0.237 0.000 2.489 104 E HA -0.047 4.303 4.350 -0.001 0.000 0.193 104 E C 1.661 178.356 176.600 0.159 0.000 1.057 104 E CA 0.387 56.904 56.400 0.194 0.000 0.866 104 E CB 0.036 29.915 29.700 0.300 0.000 0.916 104 E HN 0.689 nan 8.360 nan 0.000 0.500 105 C N -0.103 119.317 119.300 0.200 0.000 2.487 105 C HA 0.199 4.659 4.460 -0.001 0.000 0.311 105 C C 1.178 176.242 174.990 0.123 0.000 1.367 105 C CA -0.459 58.650 59.018 0.152 0.000 1.865 105 C CB 0.440 28.297 27.740 0.196 0.000 2.277 105 C HN 0.135 nan 8.230 nan 0.000 0.521 106 V N 0.760 120.763 119.914 0.149 0.000 2.716 106 V HA 0.382 4.501 4.120 -0.001 0.000 0.304 106 V C -0.044 176.138 176.094 0.146 0.000 1.053 106 V CA -0.621 61.762 62.300 0.139 0.000 0.984 106 V CB 1.407 33.323 31.823 0.154 0.000 1.021 106 V HN 0.590 nan 8.190 nan 0.000 0.467 107 C N 7.475 126.856 119.300 0.135 0.000 2.632 107 C HA 0.225 4.684 4.460 -0.001 0.000 0.415 107 C C 1.330 176.435 174.990 0.192 0.000 1.332 107 C CA -0.708 58.399 59.018 0.148 0.000 1.874 107 C CB -0.234 27.585 27.740 0.131 0.000 2.596 107 C HN 0.866 nan 8.230 nan 0.000 0.590 108 M N 5.775 125.508 119.600 0.220 0.000 2.726 108 M HA 0.067 4.547 4.480 -0.001 0.000 0.211 108 M C 1.102 177.547 176.300 0.242 0.000 1.190 108 M CA 0.866 56.311 55.300 0.242 0.000 1.000 108 M CB -1.654 31.117 32.600 0.285 0.000 1.790 108 M HN 0.833 nan 8.290 nan 0.000 0.467 109 H N -1.389 117.761 119.070 0.134 0.000 3.580 109 H HA 0.119 4.675 4.556 -0.001 0.000 0.245 109 H C 1.182 176.538 175.328 0.047 0.000 1.015 109 H CA 0.968 57.070 56.048 0.090 0.000 1.113 109 H CB 1.035 30.842 29.762 0.075 0.000 1.469 109 H HN 0.506 nan 8.280 nan 0.000 0.554 110 C N -1.951 117.457 119.300 0.179 0.000 4.100 110 C HA 0.615 5.074 4.460 -0.001 0.000 0.393 110 C C 1.478 176.509 174.990 0.067 0.000 1.619 110 C CA 0.388 59.442 59.018 0.061 0.000 1.976 110 C CB 0.621 28.393 27.740 0.053 0.000 2.992 110 C HN 0.587 nan 8.230 nan 0.000 0.694 111 G N 1.578 110.458 108.800 0.133 0.000 2.149 111 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.235 111 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.235 111 G C -0.266 174.698 174.900 0.106 0.000 1.018 111 G CA 0.345 45.537 45.100 0.152 0.000 0.728 111 G HN 0.702 nan 8.290 nan 0.000 0.508 112 K N 0.404 120.857 120.400 0.088 0.000 2.213 112 K HA 0.491 4.811 4.320 -0.001 0.000 0.270 112 K C 1.057 177.699 176.600 0.070 0.000 1.002 112 K CA -0.844 55.481 56.287 0.064 0.000 0.868 112 K CB 0.607 33.137 32.500 0.050 0.000 1.093 112 K HN 0.231 nan 8.250 nan 0.000 0.454 113 L N 5.612 126.872 121.223 0.062 0.000 2.615 113 L HA -0.136 4.204 4.340 -0.001 0.000 0.284 113 L C 1.502 178.406 176.870 0.057 0.000 1.237 113 L CA 0.176 55.055 54.840 0.066 0.000 0.905 113 L CB 0.357 42.451 42.059 0.059 0.000 1.149 113 L HN 0.701 nan 8.230 nan 0.000 0.499 114 L N 5.000 126.256 121.223 0.054 0.000 2.450 114 L HA -0.058 4.281 4.340 -0.001 0.000 0.224 114 L C 0.326 177.214 176.870 0.029 0.000 1.149 114 L CA 0.840 55.703 54.840 0.038 0.000 0.816 114 L CB -0.361 41.713 42.059 0.026 0.000 0.932 114 L HN 0.485 nan 8.230 nan 0.000 0.449 115 L N -0.543 120.700 121.223 0.033 0.000 2.438 115 L HA 0.372 4.712 4.340 -0.001 0.000 0.270 115 L C -0.741 176.156 176.870 0.045 0.000 0.972 115 L CA -0.661 54.200 54.840 0.033 0.000 0.831 115 L CB 2.251 44.319 42.059 0.015 0.000 1.273 115 L HN -0.067 nan 8.230 nan 0.000 0.405 116 D N 1.245 121.687 120.400 0.070 0.000 2.530 116 D HA 0.153 4.793 4.640 -0.001 0.000 0.282 116 D C 0.339 176.643 176.300 0.006 0.000 1.204 116 D CA -0.389 53.648 54.000 0.063 0.000 1.093 116 D CB 0.819 41.726 40.800 0.179 0.000 1.154 116 D HN 0.524 nan 8.370 nan 0.000 0.593 117 E N -0.798 119.345 120.200 -0.095 0.000 2.489 117 E HA -0.028 4.321 4.350 -0.001 0.000 0.193 117 E C 1.424 177.918 176.600 -0.176 0.000 1.057 117 E CA 0.280 56.594 56.400 -0.142 0.000 0.866 117 E CB 0.089 29.672 29.700 -0.194 0.000 0.916 117 E HN 0.335 nan 8.360 nan 0.000 0.500 118 H N 0.453 119.522 119.070 -0.001 0.000 2.436 118 H HA 0.026 4.582 4.556 -0.001 0.000 0.294 118 H C 0.916 176.242 175.328 -0.003 0.000 1.048 118 H CA 0.583 56.629 56.048 -0.002 0.000 1.353 118 H CB 0.128 29.888 29.762 -0.003 0.000 1.414 118 H HN 0.097 nan 8.280 nan 0.000 0.536 119 N N 1.708 120.468 118.700 0.101 0.000 2.488 119 N HA -0.064 4.676 4.740 -0.001 0.000 0.274 119 N C 0.911 176.437 175.510 0.025 0.000 1.111 119 N CA 0.176 53.258 53.050 0.053 0.000 0.974 119 N CB 1.566 40.075 38.487 0.037 0.000 1.089 119 N HN 0.268 nan 8.380 nan 0.000 0.465 120 E N 2.826 123.037 120.200 0.019 0.000 2.072 120 E HA -0.062 4.287 4.350 -0.001 0.000 0.191 120 E C 1.441 178.044 176.600 0.004 0.000 0.985 120 E CA 0.800 57.206 56.400 0.009 0.000 0.801 120 E CB 0.188 29.893 29.700 0.008 0.000 0.750 120 E HN 0.638 nan 8.360 nan 0.000 0.452 121 L N 0.199 121.423 121.223 0.001 0.000 2.362 121 L HA -0.125 4.215 4.340 -0.001 0.000 0.219 121 L C 2.374 179.243 176.870 -0.001 0.000 1.134 121 L CA 0.351 55.189 54.840 -0.003 0.000 0.807 121 L CB -0.131 41.922 42.059 -0.010 0.000 0.927 121 L HN 0.264 nan 8.230 nan 0.000 0.447 122 M N -0.387 119.214 119.600 0.002 0.000 2.388 122 M HA -0.052 4.428 4.480 -0.001 0.000 0.265 122 M C 2.231 178.534 176.300 0.005 0.000 1.088 122 M CA 1.483 56.786 55.300 0.004 0.000 1.134 122 M CB -0.146 32.459 32.600 0.008 0.000 1.384 122 M HN -0.034 nan 8.290 nan 0.000 0.447 123 R N -0.422 120.079 120.500 0.000 0.000 2.081 123 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 123 R C 2.199 178.501 176.300 0.004 0.000 1.131 123 R CA 1.894 57.992 56.100 -0.003 0.000 0.960 123 R CB -0.554 29.741 30.300 -0.008 0.000 0.856 123 R HN 0.563 nan 8.270 nan 0.000 0.436 124 Q N 0.362 120.166 119.800 0.005 0.000 2.061 124 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 124 Q C 2.306 178.315 176.000 0.015 0.000 0.984 124 Q CA 1.705 57.514 55.803 0.009 0.000 0.846 124 Q CB -0.273 28.470 28.738 0.007 0.000 0.902 124 Q HN 0.365 nan 8.270 nan 0.000 0.421 125 A N 1.246 124.076 122.820 0.017 0.000 1.883 125 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 125 A C 2.132 179.737 177.584 0.035 0.000 1.186 125 A CA 1.250 53.303 52.037 0.027 0.000 0.624 125 A CB -0.837 18.178 19.000 0.025 0.000 0.822 125 A HN 0.304 nan 8.150 nan 0.000 0.444 126 L N -0.868 120.372 121.223 0.029 0.000 2.187 126 L HA -0.217 4.123 4.340 -0.001 0.000 0.213 126 L C 2.935 179.822 176.870 0.028 0.000 1.100 126 L CA 0.903 55.762 54.840 0.032 0.000 0.765 126 L CB -0.416 41.653 42.059 0.018 0.000 0.904 126 L HN 0.476 nan 8.230 nan 0.000 0.437 127 A N -0.141 122.692 122.820 0.022 0.000 2.016 127 A HA 0.046 4.365 4.320 -0.001 0.000 0.217 127 A C 1.245 178.844 177.584 0.025 0.000 1.162 127 A CA 0.085 52.134 52.037 0.020 0.000 0.662 127 A CB -0.406 18.602 19.000 0.014 0.000 0.812 127 A HN 0.247 nan 8.150 nan 0.000 0.450 128 I N 0.159 120.747 120.570 0.031 0.000 2.932 128 I HA -0.111 4.059 4.170 -0.001 0.000 0.295 128 I C 1.073 177.212 176.117 0.036 0.000 1.227 128 I CA 0.576 61.897 61.300 0.033 0.000 1.429 128 I CB 0.539 38.564 38.000 0.042 0.000 1.339 128 I HN 0.226 nan 8.210 nan 0.000 0.589 129 K N 2.795 123.213 120.400 0.031 0.000 2.372 129 K HA 0.095 4.415 4.320 -0.001 0.000 0.200 129 K C -0.223 176.395 176.600 0.029 0.000 1.022 129 K CA -0.035 56.270 56.287 0.030 0.000 1.125 129 K CB 0.200 32.714 32.500 0.024 0.000 0.855 129 K HN 0.479 nan 8.250 nan 0.000 0.524 130 D N 1.416 121.837 120.400 0.034 0.000 2.411 130 D HA 0.009 4.649 4.640 -0.001 0.000 0.225 130 D C 0.970 177.293 176.300 0.040 0.000 1.156 130 D CA 0.038 54.057 54.000 0.032 0.000 0.874 130 D CB 1.249 42.070 40.800 0.035 0.000 1.034 130 D HN 0.104 nan 8.370 nan 0.000 0.502 131 S N 3.059 118.769 115.700 0.017 0.000 2.462 131 S HA -0.198 4.272 4.470 -0.001 0.000 0.243 131 S C 1.388 175.990 174.600 0.003 0.000 1.003 131 S CA 0.941 59.139 58.200 -0.003 0.000 0.970 131 S CB 0.134 63.297 63.200 -0.063 0.000 0.762 131 S HN 0.422 nan 8.310 nan 0.000 0.510 132 K N 0.783 121.196 120.400 0.021 0.000 2.141 132 K HA 0.197 4.516 4.320 -0.001 0.000 0.202 132 K C 2.343 179.011 176.600 0.113 0.000 1.045 132 K CA 0.576 56.891 56.287 0.047 0.000 0.971 132 K CB -0.063 32.448 32.500 0.018 0.000 0.795 132 K HN 0.260 nan 8.250 nan 0.000 0.459 133 K N 0.847 121.299 120.400 0.087 0.000 2.116 133 K HA -0.046 4.274 4.320 -0.001 0.000 0.203 133 K C 2.234 178.897 176.600 0.105 0.000 1.052 133 K CA 0.648 56.988 56.287 0.088 0.000 0.952 133 K CB 0.030 32.566 32.500 0.059 0.000 0.729 133 K HN 0.046 nan 8.250 nan 0.000 0.446 134 R N 0.429 120.996 120.500 0.111 0.000 2.081 134 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 134 R C 2.197 178.602 176.300 0.175 0.000 1.131 134 R CA 1.196 57.367 56.100 0.118 0.000 0.960 134 R CB -0.280 30.085 30.300 0.108 0.000 0.856 134 R HN 0.091 nan 8.270 nan 0.000 0.436 135 F N 1.257 121.234 119.950 0.044 0.000 2.095 135 F HA -0.158 4.369 4.527 -0.001 0.000 0.298 135 F C 2.174 178.046 175.800 0.120 0.000 1.104 135 F CA 1.535 59.573 58.000 0.063 0.000 1.232 135 F CB -0.717 38.284 39.000 0.001 0.000 0.987 135 F HN 0.101 nan 8.300 nan 0.000 0.475 136 A N 0.246 123.122 122.820 0.094 0.000 1.908 136 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 136 A C 2.425 180.070 177.584 0.102 0.000 1.181 136 A CA 2.016 54.092 52.037 0.065 0.000 0.627 136 A CB -1.568 17.493 19.000 0.103 0.000 0.818 136 A HN 0.515 nan 8.150 nan 0.000 0.445 137 A N -0.210 122.654 122.820 0.075 0.000 1.898 137 A HA -0.015 4.305 4.320 -0.001 0.000 0.216 137 A C 2.109 179.707 177.584 0.025 0.000 1.181 137 A CA 1.419 53.486 52.037 0.050 0.000 0.620 137 A CB -0.543 18.485 19.000 0.046 0.000 0.819 137 A HN 0.495 nan 8.150 nan 0.000 0.442 138 I N -2.494 118.092 120.570 0.028 0.000 2.252 138 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 138 I C 2.399 178.507 176.117 -0.015 0.000 1.102 138 I CA 1.401 62.709 61.300 0.013 0.000 1.385 138 I CB -0.323 37.708 38.000 0.052 0.000 1.064 138 I HN 0.701 nan 8.210 nan 0.000 0.414 139 W N 1.986 123.121 121.300 -0.275 0.000 2.358 139 W HA -0.203 4.456 4.660 -0.001 0.000 0.303 139 W C 2.450 178.868 176.519 -0.168 0.000 1.208 139 W CA 1.985 59.151 57.345 -0.300 0.000 1.274 139 W CB -0.547 28.608 29.460 -0.510 0.000 1.138 139 W HN -0.048 nan 8.180 nan 0.000 0.515 140 T N 1.158 115.573 114.554 -0.232 0.000 2.962 140 T HA -0.172 4.178 4.350 -0.001 0.000 0.270 140 T C 1.553 176.070 174.700 -0.304 0.000 1.088 140 T CA 1.294 63.159 62.100 -0.392 0.000 1.127 140 T CB -0.349 68.439 68.868 -0.133 0.000 0.883 140 T HN 0.036 nan 8.240 nan 0.000 0.493 141 L N 0.149 121.256 121.223 -0.194 0.000 2.168 141 L HA 0.218 4.557 4.340 -0.001 0.000 0.203 141 L C 2.384 179.164 176.870 -0.151 0.000 1.078 141 L CA 1.139 55.898 54.840 -0.136 0.000 0.780 141 L CB -0.723 41.294 42.059 -0.069 0.000 0.939 141 L HN 0.261 nan 8.230 nan 0.000 0.451 142 C N 0.126 119.327 119.300 -0.165 0.000 2.475 142 C HA -0.090 4.369 4.460 -0.001 0.000 0.279 142 C C 2.569 177.444 174.990 -0.191 0.000 1.322 142 C CA 0.723 59.661 59.018 -0.132 0.000 1.734 142 C CB -0.765 26.936 27.740 -0.064 0.000 2.005 142 C HN 0.582 nan 8.230 nan 0.000 0.495 143 K N 0.683 120.865 120.400 -0.363 0.000 2.442 143 K HA -0.130 4.189 4.320 -0.001 0.000 0.199 143 K C 1.351 177.802 176.600 -0.248 0.000 1.044 143 K CA 1.674 57.743 56.287 -0.364 0.000 0.941 143 K CB -0.521 31.574 32.500 -0.674 0.000 0.759 143 K HN 0.403 nan 8.250 nan 0.000 0.472 144 T N 1.127 115.551 114.554 -0.216 0.000 2.643 144 T HA -0.046 4.304 4.350 -0.001 0.000 0.256 144 T C 0.426 175.064 174.700 -0.103 0.000 1.061 144 T CA 0.640 62.651 62.100 -0.149 0.000 1.163 144 T CB -0.012 68.781 68.868 -0.125 0.000 0.865 144 T HN 0.146 nan 8.240 nan 0.000 0.407 145 K N 1.664 122.015 120.400 -0.083 0.000 2.586 145 K HA 0.013 4.333 4.320 -0.001 0.000 0.280 145 K C 0.118 176.689 176.600 -0.048 0.000 0.972 145 K CA 0.888 57.145 56.287 -0.051 0.000 1.040 145 K CB 0.078 32.559 32.500 -0.033 0.000 0.870 145 K HN 0.430 nan 8.250 nan 0.000 0.497 146 M N 1.611 121.192 119.600 -0.031 0.000 3.262 146 M HA 0.129 4.609 4.480 -0.001 0.000 0.450 146 M C -1.189 175.113 176.300 0.004 0.000 1.524 146 M CA -0.181 55.103 55.300 -0.027 0.000 0.770 146 M CB 0.994 33.567 32.600 -0.044 0.000 1.459 146 M HN 0.038 nan 8.290 nan 0.000 0.517 147 V N 0.379 120.300 119.914 0.013 0.000 2.719 147 V HA 0.062 4.182 4.120 -0.001 0.000 0.289 147 V C -0.521 175.587 176.094 0.022 0.000 1.167 147 V CA -1.294 61.022 62.300 0.026 0.000 0.929 147 V CB 2.060 33.893 31.823 0.016 0.000 1.050 147 V HN 0.491 nan 8.190 nan 0.000 0.448 148 C N 5.929 125.249 119.300 0.035 0.000 2.758 148 C HA 0.190 4.650 4.460 -0.001 0.000 0.384 148 C C 1.014 176.011 174.990 0.011 0.000 1.197 148 C CA -0.139 58.897 59.018 0.030 0.000 1.337 148 C CB -1.724 26.042 27.740 0.042 0.000 1.996 148 C HN 0.890 nan 8.230 nan 0.000 0.579 149 E N 3.345 123.548 120.200 0.005 0.000 2.508 149 E HA -0.014 4.336 4.350 -0.001 0.000 0.266 149 E C 1.076 177.667 176.600 -0.015 0.000 1.010 149 E CA 0.478 56.873 56.400 -0.008 0.000 0.955 149 E CB 0.597 30.290 29.700 -0.012 0.000 0.946 149 E HN 0.710 nan 8.360 nan 0.000 0.454 150 T N 1.033 115.572 114.554 -0.025 0.000 3.000 150 T HA 0.038 4.388 4.350 -0.001 0.000 0.248 150 T C -0.455 174.216 174.700 -0.049 0.000 1.034 150 T CA 0.173 62.254 62.100 -0.032 0.000 1.060 150 T CB 0.400 69.251 68.868 -0.029 0.000 0.983 150 T HN 0.372 nan 8.240 nan 0.000 0.482 151 D N 0.958 121.325 120.400 -0.055 0.000 2.863 151 D HA 0.533 5.172 4.640 -0.001 0.000 0.245 151 D C -1.206 175.045 176.300 -0.081 0.000 1.211 151 D CA -0.190 53.765 54.000 -0.074 0.000 0.888 151 D CB 3.015 43.782 40.800 -0.055 0.000 1.483 151 D HN -0.037 nan 8.370 nan 0.000 0.533 152 V N 2.582 122.421 119.914 -0.126 0.000 2.823 152 V HA 0.430 4.550 4.120 -0.001 0.000 0.312 152 V C -2.299 173.734 176.094 -0.102 0.000 1.072 152 V CA -1.888 60.345 62.300 -0.111 0.000 0.937 152 V CB 2.715 34.455 31.823 -0.138 0.000 1.013 152 V HN 0.369 nan 8.190 nan 0.000 0.430 153 P HA 0.120 nan 4.420 nan 0.000 0.271 153 P C 0.052 177.343 177.300 -0.016 0.000 1.226 153 P CA 0.172 63.254 63.100 -0.031 0.000 0.765 153 P CB 0.812 32.503 31.700 -0.014 0.000 0.835 154 S N 2.840 118.534 115.700 -0.011 0.000 2.650 154 S HA 0.017 4.486 4.470 -0.001 0.000 0.251 154 S C 1.010 175.635 174.600 0.041 0.000 1.325 154 S CA -0.287 57.928 58.200 0.026 0.000 0.967 154 S CB -0.080 63.131 63.200 0.018 0.000 1.000 154 S HN 0.478 nan 8.310 nan 0.000 0.584 155 E N 0.719 120.950 120.200 0.052 0.000 2.494 155 E HA 0.085 4.434 4.350 -0.001 0.000 0.193 155 E C -0.167 176.447 176.600 0.023 0.000 1.074 155 E CA 0.182 56.605 56.400 0.038 0.000 0.867 155 E CB -0.077 29.645 29.700 0.037 0.000 0.924 155 E HN 0.507 nan 8.360 nan 0.000 0.502 156 D N 0.534 120.946 120.400 0.019 0.000 2.730 156 D HA 0.076 4.716 4.640 -0.001 0.000 0.202 156 D C 0.038 176.342 176.300 0.007 0.000 1.283 156 D CA -0.492 53.514 54.000 0.011 0.000 1.159 156 D CB -0.177 40.629 40.800 0.010 0.000 1.167 156 D HN -0.137 nan 8.370 nan 0.000 0.557 157 D N 2.319 122.721 120.400 0.004 0.000 2.417 157 D HA 0.050 4.689 4.640 -0.001 0.000 0.250 157 D C -1.335 174.964 176.300 -0.002 0.000 1.166 157 D CA -0.800 53.200 54.000 0.000 0.000 0.881 157 D CB 1.348 42.148 40.800 -0.001 0.000 1.164 157 D HN 0.098 nan 8.370 nan 0.000 0.467 158 P HA -0.118 nan 4.420 nan 0.000 0.228 158 P C 1.049 178.343 177.300 -0.009 0.000 1.151 158 P CA 0.751 63.848 63.100 -0.006 0.000 0.770 158 P CB 0.242 31.939 31.700 -0.005 0.000 0.786 159 T N -0.634 113.916 114.554 -0.007 0.000 2.708 159 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 159 T C 1.137 175.830 174.700 -0.011 0.000 1.037 159 T CA 1.080 63.175 62.100 -0.008 0.000 1.146 159 T CB -0.396 68.469 68.868 -0.006 0.000 0.865 159 T HN 0.345 nan 8.240 nan 0.000 0.435 160 Q N 0.604 120.398 119.800 -0.010 0.000 2.259 160 Q HA 0.567 4.906 4.340 -0.001 0.000 0.249 160 Q C -0.606 175.380 176.000 -0.022 0.000 0.914 160 Q CA -0.267 55.528 55.803 -0.014 0.000 0.904 160 Q CB 1.356 30.088 28.738 -0.010 0.000 1.213 160 Q HN 0.362 nan 8.270 nan 0.000 0.428 161 L N 1.010 122.215 121.223 -0.030 0.000 2.335 161 L HA 0.713 5.053 4.340 -0.001 0.000 0.268 161 L C -0.501 176.330 176.870 -0.065 0.000 1.016 161 L CA -1.126 53.685 54.840 -0.049 0.000 0.805 161 L CB 1.702 43.733 42.059 -0.048 0.000 1.311 161 L HN 0.320 nan 8.230 nan 0.000 0.456 162 V N -0.484 119.363 119.914 -0.112 0.000 2.841 162 V HA 0.395 4.514 4.120 -0.001 0.000 0.310 162 V C -0.296 175.690 176.094 -0.180 0.000 1.090 162 V CA -0.679 61.530 62.300 -0.152 0.000 0.930 162 V CB 2.135 33.806 31.823 -0.254 0.000 1.014 162 V HN 0.886 nan 8.190 nan 0.000 0.425 163 S N 4.611 120.237 115.700 -0.124 0.000 2.654 163 S HA 0.907 5.377 4.470 -0.001 0.000 0.283 163 S C -0.415 174.134 174.600 -0.086 0.000 1.180 163 S CA -0.856 57.288 58.200 -0.093 0.000 1.021 163 S CB 1.826 64.998 63.200 -0.047 0.000 1.018 163 S HN 0.880 nan 8.310 nan 0.000 0.532 164 R N 0.090 120.558 120.500 -0.053 0.000 2.870 164 R HA 0.708 5.048 4.340 -0.001 0.000 0.262 164 R C 0.118 176.419 176.300 0.002 0.000 1.112 164 R CA -1.089 55.009 56.100 -0.003 0.000 0.976 164 R CB -0.217 30.087 30.300 0.007 0.000 1.261 164 R HN 0.799 nan 8.270 nan 0.000 0.453 165 G N 0.094 108.905 108.800 0.018 0.000 2.093 165 G HA2 0.218 4.177 3.960 -0.001 0.000 0.250 165 G HA3 0.218 4.177 3.960 -0.001 0.000 0.250 165 G C 0.260 175.159 174.900 -0.001 0.000 1.056 165 G CA 0.304 45.410 45.100 0.010 0.000 0.916 165 G HN 0.694 nan 8.290 nan 0.000 0.421 166 G N 0.423 109.218 108.800 -0.009 0.000 2.444 166 G HA2 0.407 4.367 3.960 -0.001 0.000 0.303 166 G HA3 0.407 4.367 3.960 -0.001 0.000 0.303 166 G C 0.095 174.980 174.900 -0.025 0.000 1.032 166 G CA 0.134 45.223 45.100 -0.018 0.000 1.137 166 G HN 1.319 nan 8.290 nan 0.000 0.430 167 C N 3.342 122.624 119.300 -0.030 0.000 2.993 167 C HA 0.420 4.879 4.460 -0.001 0.000 0.298 167 C C 1.624 176.582 174.990 -0.053 0.000 0.906 167 C CA -0.154 58.831 59.018 -0.056 0.000 1.090 167 C CB -0.456 27.268 27.740 -0.026 0.000 1.656 167 C HN 0.847 nan 8.230 nan 0.000 0.648 168 G N 2.636 111.403 108.800 -0.055 0.000 2.516 168 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.221 168 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.221 168 G C 0.665 175.549 174.900 -0.027 0.000 1.107 168 G CA 0.463 45.541 45.100 -0.036 0.000 0.747 168 G HN 0.822 nan 8.290 nan 0.000 0.567 169 N N 1.006 119.668 118.700 -0.064 0.000 2.167 169 N HA -0.054 4.686 4.740 -0.001 0.000 0.258 169 N C 0.457 176.014 175.510 0.077 0.000 1.241 169 N CA 0.800 53.835 53.050 -0.025 0.000 0.829 169 N CB 0.251 38.669 38.487 -0.114 0.000 1.072 169 N HN 0.028 nan 8.380 nan 0.000 0.466 170 T N 2.392 117.033 114.554 0.144 0.000 2.898 170 T HA 0.095 4.445 4.350 -0.001 0.000 0.301 170 T C 0.703 175.571 174.700 0.280 0.000 1.049 170 T CA -0.235 61.982 62.100 0.195 0.000 1.095 170 T CB 0.714 69.729 68.868 0.244 0.000 0.976 170 T HN 0.286 nan 8.240 nan 0.000 0.539 171 Q N 2.304 122.177 119.800 0.120 0.000 2.205 171 Q HA 0.435 4.775 4.340 -0.001 0.000 0.249 171 Q C -2.274 173.537 176.000 -0.315 0.000 0.948 171 Q CA -1.958 53.855 55.803 0.017 0.000 0.895 171 Q CB 1.360 30.091 28.738 -0.012 0.000 1.249 171 Q HN 0.404 nan 8.270 nan 0.000 0.458 172 P HA 0.198 nan 4.420 nan 0.000 0.292 172 P C -1.101 175.921 177.300 -0.464 0.000 1.300 172 P CA -0.577 61.920 63.100 -1.005 0.000 0.900 172 P CB 1.488 32.142 31.700 -1.744 0.000 1.139 173 T N 2.879 117.209 114.554 -0.374 0.000 2.728 173 T HA 0.411 4.761 4.350 -0.001 0.000 0.296 173 T C 0.448 175.050 174.700 -0.163 0.000 0.940 173 T CA -0.128 61.857 62.100 -0.191 0.000 1.013 173 T CB -0.339 68.449 68.868 -0.134 0.000 0.912 173 T HN 0.197 nan 8.240 nan 0.000 0.484 174 I N 5.225 125.745 120.570 -0.082 0.000 2.315 174 I HA 0.427 4.596 4.170 -0.001 0.000 0.291 174 I C 0.678 176.805 176.117 0.017 0.000 1.006 174 I CA -0.822 60.460 61.300 -0.031 0.000 1.265 174 I CB 0.744 38.753 38.000 0.016 0.000 1.387 174 I HN 0.507 nan 8.210 nan 0.000 0.475 175 R N 5.297 125.809 120.500 0.020 0.000 2.664 175 R HA 0.600 4.939 4.340 -0.001 0.000 0.286 175 R C -0.951 175.382 176.300 0.054 0.000 0.967 175 R CA -1.067 55.055 56.100 0.037 0.000 0.933 175 R CB 2.023 32.339 30.300 0.028 0.000 1.146 175 R HN 0.449 nan 8.270 nan 0.000 0.468 176 K N 1.495 121.928 120.400 0.055 0.000 2.156 176 K HA 0.157 4.477 4.320 -0.001 0.000 0.271 176 K C -1.179 175.461 176.600 0.067 0.000 0.995 176 K CA -0.548 55.778 56.287 0.065 0.000 0.890 176 K CB 1.127 33.658 32.500 0.051 0.000 1.073 176 K HN 0.616 nan 8.250 nan 0.000 0.454 177 D N 3.715 124.165 120.400 0.083 0.000 2.389 177 D HA 0.223 4.862 4.640 -0.001 0.000 0.256 177 D C 0.546 176.902 176.300 0.093 0.000 1.239 177 D CA 0.400 54.447 54.000 0.079 0.000 0.925 177 D CB 1.354 42.199 40.800 0.076 0.000 1.145 177 D HN 0.901 nan 8.370 nan 0.000 0.542 178 G N 2.170 111.022 108.800 0.088 0.000 2.620 178 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.315 178 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.315 178 G C 0.579 175.557 174.900 0.130 0.000 1.179 178 G CA 0.282 45.444 45.100 0.104 0.000 0.971 178 G HN 0.493 nan 8.290 nan 0.000 0.544 179 L N 1.205 122.523 121.223 0.158 0.000 2.872 179 L HA 0.429 4.769 4.340 -0.001 0.000 0.245 179 L C 0.566 177.587 176.870 0.252 0.000 1.211 179 L CA 0.060 55.024 54.840 0.208 0.000 1.013 179 L CB 0.161 42.340 42.059 0.201 0.000 1.326 179 L HN 0.251 nan 8.230 nan 0.000 0.525 180 K N 0.731 121.261 120.400 0.216 0.000 2.435 180 K HA 0.651 4.971 4.320 -0.001 0.000 0.251 180 K C -1.147 175.591 176.600 0.229 0.000 0.954 180 K CA -0.724 55.698 56.287 0.225 0.000 0.820 180 K CB 3.059 35.639 32.500 0.133 0.000 1.292 180 K HN -0.055 nan 8.250 nan 0.000 0.436 181 L N 2.303 123.690 121.223 0.273 0.000 2.322 181 L HA 0.529 4.869 4.340 -0.001 0.000 0.281 181 L C -0.732 176.231 176.870 0.156 0.000 1.014 181 L CA -1.212 53.749 54.840 0.203 0.000 0.815 181 L CB 1.762 43.963 42.059 0.236 0.000 1.247 181 L HN 0.275 nan 8.230 nan 0.000 0.421 182 V N 1.591 121.572 119.914 0.112 0.000 2.555 182 V HA 0.693 4.813 4.120 -0.001 0.000 0.302 182 V C 0.401 176.525 176.094 0.050 0.000 1.038 182 V CA -0.562 61.798 62.300 0.101 0.000 0.887 182 V CB 1.704 33.579 31.823 0.087 0.000 0.991 182 V HN 0.866 nan 8.190 nan 0.000 0.434 183 G N 2.065 110.904 108.800 0.065 0.000 2.416 183 G HA2 0.636 4.596 3.960 -0.001 0.000 0.329 183 G HA3 0.636 4.596 3.960 -0.001 0.000 0.329 183 G C -0.444 174.344 174.900 -0.187 0.000 1.173 183 G CA -0.425 44.563 45.100 -0.187 0.000 0.929 183 G HN 0.905 nan 8.290 nan 0.000 0.475 184 S N 1.383 116.852 115.700 -0.384 0.000 2.519 184 S HA 0.668 5.138 4.470 -0.001 0.000 0.309 184 S C -0.749 173.670 174.600 -0.302 0.000 1.100 184 S CA -0.885 57.231 58.200 -0.139 0.000 1.059 184 S CB 1.446 64.609 63.200 -0.061 0.000 1.008 184 S HN 0.600 nan 8.310 nan 0.000 0.478 185 W N 1.640 122.958 121.300 0.030 0.000 2.578 185 W HA 0.694 5.354 4.660 -0.001 0.000 0.364 185 W C 0.195 176.726 176.519 0.020 0.000 1.144 185 W CA -0.879 56.483 57.345 0.027 0.000 1.242 185 W CB 2.056 31.534 29.460 0.031 0.000 1.382 185 W HN 0.800 nan 8.180 nan 0.000 0.625 186 K N 0.993 121.537 120.400 0.241 0.000 2.712 186 K HA 0.042 4.361 4.320 -0.001 0.000 0.274 186 K C -1.127 175.537 176.600 0.106 0.000 1.025 186 K CA -0.588 55.780 56.287 0.135 0.000 0.904 186 K CB 1.161 33.705 32.500 0.074 0.000 1.392 186 K HN 0.380 nan 8.250 nan 0.000 0.392 187 K N 3.426 123.874 120.400 0.079 0.000 2.518 187 K HA 0.129 4.449 4.320 -0.001 0.000 0.244 187 K C -1.060 175.561 176.600 0.036 0.000 1.232 187 K CA -0.079 56.242 56.287 0.056 0.000 1.189 187 K CB -0.127 32.400 32.500 0.044 0.000 1.737 187 K HN 0.598 nan 8.250 nan 0.000 0.333 188 D N 0.651 121.070 120.400 0.030 0.000 10.409 188 D HA -0.150 4.490 4.640 -0.001 0.000 0.354 188 D C -0.490 175.818 176.300 0.012 0.000 3.068 188 D CA 0.343 54.352 54.000 0.015 0.000 2.509 188 D CB 0.125 40.932 40.800 0.011 0.000 1.222 188 D HN 0.386 nan 8.370 nan 0.000 0.984 189 R N 0.678 121.181 120.500 0.004 0.000 2.246 189 R HA 0.582 4.922 4.340 -0.001 0.000 0.332 189 R C 0.620 176.922 176.300 0.003 0.000 0.974 189 R CA 0.354 56.456 56.100 0.002 0.000 0.837 189 R CB 1.169 31.466 30.300 -0.005 0.000 1.145 189 R HN 0.652 nan 8.270 nan 0.000 0.467 190 A N 1.655 124.479 122.820 0.007 0.000 3.021 190 A HA -0.184 4.135 4.320 -0.001 0.000 0.257 190 A C 0.456 178.044 177.584 0.006 0.000 1.277 190 A CA 1.330 53.370 52.037 0.006 0.000 1.012 190 A CB -1.968 17.033 19.000 0.003 0.000 1.147 190 A HN 0.624 nan 8.150 nan 0.000 0.861 191 T N 0.508 115.067 114.554 0.007 0.000 2.899 191 T HA 0.501 4.851 4.350 -0.001 0.000 0.295 191 T C 1.080 175.785 174.700 0.008 0.000 1.033 191 T CA 0.257 62.361 62.100 0.007 0.000 1.084 191 T CB 1.349 70.221 68.868 0.007 0.000 0.979 191 T HN 1.469 nan 8.240 nan 0.000 0.532 192 G N 0.672 109.476 108.800 0.006 0.000 2.432 192 G HA2 0.237 4.197 3.960 -0.001 0.000 0.239 192 G HA3 0.237 4.197 3.960 -0.001 0.000 0.239 192 G C 0.202 175.107 174.900 0.008 0.000 1.291 192 G CA -0.476 44.628 45.100 0.006 0.000 0.863 192 G HN 0.886 nan 8.290 nan 0.000 0.560 193 D N -0.083 120.322 120.400 0.009 0.000 2.911 193 D HA -0.212 4.427 4.640 -0.001 0.000 0.227 193 D C 0.934 177.242 176.300 0.013 0.000 1.164 193 D CA 1.444 55.450 54.000 0.010 0.000 0.782 193 D CB -1.171 39.633 40.800 0.007 0.000 1.094 193 D HN 0.961 nan 8.370 nan 0.000 0.425 194 A N 0.236 123.066 122.820 0.016 0.000 2.639 194 A HA 0.190 4.510 4.320 -0.001 0.000 0.221 194 A C 0.044 177.643 177.584 0.026 0.000 0.879 194 A CA -0.504 51.546 52.037 0.023 0.000 1.189 194 A CB 0.814 19.828 19.000 0.023 0.000 1.231 194 A HN 0.023 nan 8.150 nan 0.000 0.457 195 D N 0.586 120.999 120.400 0.023 0.000 2.466 195 D HA 0.408 5.048 4.640 -0.001 0.000 0.262 195 D C 0.266 176.583 176.300 0.029 0.000 1.177 195 D CA 0.218 54.231 54.000 0.023 0.000 1.035 195 D CB 0.613 41.423 40.800 0.017 0.000 1.105 195 D HN 0.500 nan 8.370 nan 0.000 0.551 196 E N -0.462 119.755 120.200 0.028 0.000 8.367 196 E HA -0.158 4.192 4.350 -0.001 0.000 0.467 196 E C -2.696 173.933 176.600 0.048 0.000 0.968 196 E CA -0.328 56.092 56.400 0.034 0.000 1.684 196 E CB -0.014 29.705 29.700 0.031 0.000 0.997 196 E HN 0.181 nan 8.360 nan 0.000 0.275 197 P HA 0.435 nan 4.420 nan 0.000 0.330 197 P C -1.264 176.099 177.300 0.106 0.000 1.274 197 P CA -0.371 62.777 63.100 0.080 0.000 0.802 197 P CB 0.947 32.684 31.700 0.062 0.000 1.384 198 E N -0.389 119.908 120.200 0.161 0.000 2.287 198 E HA 0.416 4.766 4.350 -0.001 0.000 0.274 198 E C -1.168 175.586 176.600 0.256 0.000 0.896 198 E CA -0.432 56.083 56.400 0.192 0.000 0.788 198 E CB 1.556 31.386 29.700 0.218 0.000 1.244 198 E HN 0.293 nan 8.360 nan 0.000 0.408 199 L N 4.482 125.816 121.223 0.185 0.000 2.295 199 L HA 0.526 4.865 4.340 -0.001 0.000 0.281 199 L C -0.129 176.857 176.870 0.194 0.000 1.018 199 L CA -0.628 54.325 54.840 0.189 0.000 0.841 199 L CB 0.700 42.828 42.059 0.114 0.000 1.218 199 L HN 0.338 nan 8.230 nan 0.000 0.424 200 R N 2.630 123.305 120.500 0.292 0.000 2.599 200 R HA 0.682 5.022 4.340 -0.001 0.000 0.295 200 R C -1.240 175.200 176.300 0.233 0.000 0.963 200 R CA -0.776 55.455 56.100 0.218 0.000 0.883 200 R CB 1.913 32.307 30.300 0.157 0.000 1.171 200 R HN 0.208 nan 8.270 nan 0.000 0.450 201 V N 4.807 124.812 119.914 0.152 0.000 2.521 201 V HA 0.100 4.220 4.120 -0.001 0.000 0.286 201 V C 0.682 176.862 176.094 0.143 0.000 1.034 201 V CA -0.374 62.009 62.300 0.138 0.000 1.045 201 V CB 0.814 32.697 31.823 0.100 0.000 0.974 201 V HN 0.619 nan 8.190 nan 0.000 0.480 202 L N 5.520 126.844 121.223 0.167 0.000 2.433 202 L HA 0.211 4.551 4.340 -0.001 0.000 0.275 202 L C 0.926 177.846 176.870 0.084 0.000 1.128 202 L CA 0.267 55.204 54.840 0.162 0.000 0.875 202 L CB 0.819 42.996 42.059 0.197 0.000 1.171 202 L HN 0.875 nan 8.230 nan 0.000 0.463 203 S N 1.218 116.937 115.700 0.032 0.000 2.580 203 S HA 0.124 4.594 4.470 -0.001 0.000 0.274 203 S C 1.163 175.701 174.600 -0.103 0.000 1.329 203 S CA -0.571 57.602 58.200 -0.045 0.000 1.036 203 S CB 1.513 64.688 63.200 -0.042 0.000 0.919 203 S HN 0.642 nan 8.310 nan 0.000 0.515 204 T N 1.959 116.369 114.554 -0.240 0.000 2.699 204 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 204 T C 1.574 176.179 174.700 -0.158 0.000 1.036 204 T CA 1.947 63.847 62.100 -0.333 0.000 1.147 204 T CB -0.509 68.093 68.868 -0.444 0.000 0.862 204 T HN 0.826 nan 8.240 nan 0.000 0.446 205 E N 0.513 120.645 120.200 -0.114 0.000 2.118 205 E HA -0.171 4.179 4.350 -0.001 0.000 0.195 205 E C 2.252 178.812 176.600 -0.067 0.000 0.992 205 E CA 1.080 57.435 56.400 -0.075 0.000 0.804 205 E CB 0.034 29.701 29.700 -0.055 0.000 0.741 205 E HN 0.635 nan 8.360 nan 0.000 0.458 206 E N 0.371 120.536 120.200 -0.058 0.000 2.047 206 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 206 E C 2.214 178.772 176.600 -0.071 0.000 0.987 206 E CA 0.835 57.211 56.400 -0.041 0.000 0.799 206 E CB -0.076 29.620 29.700 -0.007 0.000 0.752 206 E HN 0.277 nan 8.360 nan 0.000 0.449 207 I N 1.619 122.123 120.570 -0.109 0.000 2.163 207 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 207 I C 2.601 178.431 176.117 -0.478 0.000 1.085 207 I CA 1.209 62.328 61.300 -0.302 0.000 1.347 207 I CB -1.084 36.782 38.000 -0.223 0.000 1.044 207 I HN 0.210 nan 8.210 nan 0.000 0.408 208 L N 0.664 121.729 121.223 -0.264 0.000 2.012 208 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 208 L C 2.357 179.176 176.870 -0.084 0.000 1.073 208 L CA 1.697 56.439 54.840 -0.163 0.000 0.748 208 L CB -0.349 41.669 42.059 -0.067 0.000 0.891 208 L HN 0.373 nan 8.230 nan 0.000 0.431 209 N N -0.240 118.421 118.700 -0.066 0.000 2.354 209 N HA -0.079 4.660 4.740 -0.001 0.000 0.179 209 N C 1.834 177.366 175.510 0.036 0.000 1.021 209 N CA 1.015 54.042 53.050 -0.039 0.000 0.887 209 N CB 0.104 38.575 38.487 -0.028 0.000 0.974 209 N HN 0.404 nan 8.380 nan 0.000 0.437 210 I N 0.360 120.971 120.570 0.069 0.000 2.252 210 I HA -0.230 3.940 4.170 -0.001 0.000 0.245 210 I C 1.713 178.023 176.117 0.322 0.000 1.102 210 I CA 0.865 62.282 61.300 0.195 0.000 1.385 210 I CB -0.223 37.875 38.000 0.163 0.000 1.064 210 I HN -0.042 nan 8.210 nan 0.000 0.414 211 F N 1.533 121.491 119.950 0.014 0.000 2.171 211 F HA -0.159 4.368 4.527 -0.001 0.000 0.300 211 F C 2.358 178.121 175.800 -0.061 0.000 1.090 211 F CA 1.179 59.148 58.000 -0.052 0.000 1.293 211 F CB -0.989 37.936 39.000 -0.124 0.000 1.013 211 F HN 0.006 nan 8.300 nan 0.000 0.486 212 K N -1.036 119.433 120.400 0.115 0.000 2.515 212 K HA -0.136 4.183 4.320 -0.001 0.000 0.196 212 K C 1.149 177.723 176.600 -0.042 0.000 1.038 212 K CA 0.668 56.943 56.287 -0.020 0.000 0.967 212 K CB -0.136 32.301 32.500 -0.104 0.000 0.780 212 K HN 0.276 nan 8.250 nan 0.000 0.483 213 H N -0.364 118.760 119.070 0.090 0.000 2.652 213 H HA 0.217 4.772 4.556 -0.001 0.000 0.274 213 H C 0.094 175.465 175.328 0.071 0.000 1.021 213 H CA -0.094 55.998 56.048 0.072 0.000 1.187 213 H CB 0.318 30.122 29.762 0.070 0.000 1.505 213 H HN 0.023 nan 8.280 nan 0.000 0.530 214 I N 2.400 123.088 120.570 0.196 0.000 2.441 214 I HA 0.005 4.175 4.170 -0.001 0.000 0.287 214 I C 0.900 177.061 176.117 0.073 0.000 1.049 214 I CA -0.349 61.030 61.300 0.132 0.000 1.381 214 I CB 0.997 39.065 38.000 0.113 0.000 1.409 214 I HN 0.077 nan 8.210 nan 0.000 0.523 215 S N 4.876 120.550 115.700 -0.043 0.000 2.584 215 S HA 0.135 4.605 4.470 -0.001 0.000 0.270 215 S C 1.172 175.408 174.600 -0.606 0.000 1.346 215 S CA -0.925 57.162 58.200 -0.188 0.000 1.018 215 S CB 1.480 64.599 63.200 -0.136 0.000 0.899 215 S HN 0.409 nan 8.310 nan 0.000 0.542 216 V N 2.297 121.789 119.914 -0.702 0.000 2.332 216 V HA -0.190 3.929 4.120 -0.001 0.000 0.248 216 V C 2.674 178.226 176.094 -0.903 0.000 1.055 216 V CA 2.086 63.661 62.300 -1.208 0.000 1.038 216 V CB -1.029 30.497 31.823 -0.494 0.000 0.651 216 V HN 0.878 nan 8.190 nan 0.000 0.450 217 K N -0.266 119.871 120.400 -0.438 0.000 2.026 217 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 217 K C 1.989 178.469 176.600 -0.200 0.000 1.048 217 K CA 1.786 57.927 56.287 -0.243 0.000 0.929 217 K CB -0.384 32.032 32.500 -0.140 0.000 0.713 217 K HN 0.465 nan 8.250 nan 0.000 0.439 218 D N 0.751 121.028 120.400 -0.204 0.000 2.084 218 D HA -0.157 4.482 4.640 -0.001 0.000 0.194 218 D C 1.812 178.125 176.300 0.021 0.000 0.990 218 D CA 1.254 55.212 54.000 -0.071 0.000 0.826 218 D CB -0.300 40.477 40.800 -0.037 0.000 0.971 218 D HN 0.257 nan 8.370 nan 0.000 0.453 219 F N 0.537 120.477 119.950 -0.017 0.000 2.502 219 F HA 0.112 4.638 4.527 -0.000 0.000 0.298 219 F C 1.974 177.843 175.800 0.116 0.000 1.111 219 F CA 0.599 58.593 58.000 -0.010 0.000 1.445 219 F CB -1.222 37.646 39.000 -0.220 0.000 1.081 219 F HN -0.251 nan 8.300 nan 0.000 0.558 220 T N 0.025 114.730 114.554 0.251 0.000 3.014 220 T HA -0.098 4.252 4.350 -0.001 0.000 0.263 220 T C 2.167 176.958 174.700 0.151 0.000 1.078 220 T CA 1.341 63.583 62.100 0.236 0.000 1.135 220 T CB -0.380 68.528 68.868 0.068 0.000 0.895 220 T HN 0.542 nan 8.240 nan 0.000 0.480 221 S N 0.746 116.514 115.700 0.113 0.000 2.474 221 S HA 0.124 4.593 4.470 -0.001 0.000 0.235 221 S C 0.843 175.551 174.600 0.179 0.000 0.997 221 S CA 0.202 58.468 58.200 0.109 0.000 0.949 221 S CB -0.557 62.691 63.200 0.079 0.000 0.766 221 S HN 0.359 nan 8.310 nan 0.000 0.517 222 L N 0.077 121.453 121.223 0.254 0.000 2.472 222 L HA 0.524 4.864 4.340 -0.001 0.000 0.256 222 L C 1.929 178.875 176.870 0.127 0.000 1.111 222 L CA -0.370 54.672 54.840 0.336 0.000 0.800 222 L CB 0.137 42.497 42.059 0.503 0.000 1.286 222 L HN 0.236 nan 8.230 nan 0.000 0.479 223 G N -0.270 108.415 108.800 -0.192 0.000 2.708 223 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.210 223 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.210 223 G C 0.335 175.015 174.900 -0.368 0.000 1.141 223 G CA -0.157 44.751 45.100 -0.320 0.000 0.788 223 G HN 0.193 nan 8.290 nan 0.000 0.531 224 F N 0.339 120.238 119.950 -0.085 0.000 2.506 224 F HA 0.252 4.779 4.527 -0.001 0.000 0.351 224 F C 0.664 176.483 175.800 0.031 0.000 1.136 224 F CA -0.802 57.131 58.000 -0.112 0.000 1.298 224 F CB 0.616 39.427 39.000 -0.315 0.000 1.145 224 F HN -0.057 nan 8.300 nan 0.000 0.593 225 N N 1.870 120.651 118.700 0.135 0.000 2.443 225 N HA 0.046 4.786 4.740 -0.001 0.000 0.269 225 N C 0.662 176.238 175.510 0.110 0.000 0.985 225 N CA -0.448 52.711 53.050 0.181 0.000 0.921 225 N CB 0.969 39.591 38.487 0.225 0.000 1.195 225 N HN 0.783 nan 8.380 nan 0.000 0.492 226 E N 2.576 122.936 120.200 0.266 0.000 2.284 226 E HA -0.164 4.186 4.350 -0.001 0.000 0.200 226 E C -0.021 176.606 176.600 0.045 0.000 1.008 226 E CA 1.405 57.946 56.400 0.235 0.000 0.829 226 E CB 0.338 30.193 29.700 0.258 0.000 0.744 226 E HN 0.431 nan 8.360 nan 0.000 0.491 227 V N -0.893 119.000 119.914 -0.035 0.000 2.908 227 V HA 0.023 4.143 4.120 -0.001 0.000 0.240 227 V C 1.466 177.498 176.094 -0.104 0.000 1.117 227 V CA 0.763 62.948 62.300 -0.193 0.000 1.133 227 V CB -0.214 31.226 31.823 -0.640 0.000 0.857 227 V HN 0.240 nan 8.190 nan 0.000 0.478 228 F N 1.124 121.218 119.950 0.240 0.000 2.656 228 F HA 0.192 4.718 4.527 -0.001 0.000 0.291 228 F C 0.986 177.011 175.800 0.374 0.000 1.122 228 F CA 0.622 58.767 58.000 0.241 0.000 1.427 228 F CB 0.393 39.458 39.000 0.109 0.000 1.125 228 F HN 0.218 nan 8.300 nan 0.000 0.583 229 S N 0.047 116.008 115.700 0.435 0.000 2.413 229 S HA 0.422 4.892 4.470 -0.001 0.000 0.170 229 S C -0.654 173.843 174.600 -0.173 0.000 1.294 229 S CA -0.861 57.513 58.200 0.290 0.000 1.201 229 S CB 0.443 63.751 63.200 0.181 0.000 1.328 229 S HN 0.069 nan 8.310 nan 0.000 0.418 230 R N 2.058 122.003 120.500 -0.925 0.000 2.441 230 R HA 0.365 4.705 4.340 -0.001 0.000 0.284 230 R C -1.817 173.851 176.300 -1.052 0.000 1.070 230 R CA -2.152 53.078 56.100 -1.451 0.000 1.047 230 R CB 0.490 29.520 30.300 -2.118 0.000 1.016 230 R HN 0.264 nan 8.270 nan 0.000 0.477 231 P HA -0.290 nan 4.420 nan 0.000 0.216 231 P C 0.675 177.673 177.300 -0.504 0.000 1.157 231 P CA 1.536 63.864 63.100 -1.286 0.000 0.880 231 P CB 0.071 30.775 31.700 -1.659 0.000 0.791 232 E N -1.211 118.756 120.200 -0.388 0.000 2.187 232 E HA -0.228 4.122 4.350 -0.001 0.000 0.199 232 E C 1.224 177.868 176.600 0.074 0.000 1.004 232 E CA 1.172 57.553 56.400 -0.032 0.000 0.813 232 E CB -1.221 28.397 29.700 -0.136 0.000 0.736 232 E HN 0.320 nan 8.360 nan 0.000 0.468 233 W N 0.621 121.881 121.300 -0.066 0.000 2.825 233 W HA 0.192 4.852 4.660 -0.000 0.000 0.243 233 W C 1.764 178.231 176.519 -0.087 0.000 1.293 233 W CA 0.075 57.391 57.345 -0.048 0.000 1.403 233 W CB -0.601 28.828 29.460 -0.051 0.000 1.134 233 W HN 0.157 nan 8.180 nan 0.000 0.666 234 M N -0.403 119.214 119.600 0.027 0.000 2.557 234 M HA 0.013 4.492 4.480 -0.001 0.000 0.259 234 M C 0.464 176.845 176.300 0.136 0.000 1.086 234 M CA 1.065 56.264 55.300 -0.169 0.000 1.096 234 M CB -0.098 32.358 32.600 -0.241 0.000 1.424 234 M HN -0.317 nan 8.290 nan 0.000 0.488 235 I N 1.485 122.182 120.570 0.212 0.000 2.321 235 I HA 0.233 4.402 4.170 -0.001 0.000 0.291 235 I C -0.359 175.888 176.117 0.217 0.000 0.998 235 I CA -0.593 60.861 61.300 0.257 0.000 1.227 235 I CB 1.271 39.398 38.000 0.211 0.000 1.368 235 I HN 0.026 nan 8.210 nan 0.000 0.466 236 L N 6.145 127.493 121.223 0.209 0.000 2.349 236 L HA 0.297 4.637 4.340 -0.001 0.000 0.275 236 L C 0.732 177.661 176.870 0.099 0.000 1.115 236 L CA 0.188 55.121 54.840 0.154 0.000 0.820 236 L CB 1.072 43.217 42.059 0.144 0.000 1.135 236 L HN 0.718 nan 8.230 nan 0.000 0.445 237 T N 0.058 114.660 114.554 0.080 0.000 3.250 237 T HA 0.027 4.376 4.350 -0.001 0.000 0.265 237 T C -0.122 174.599 174.700 0.035 0.000 0.973 237 T CA 0.103 62.235 62.100 0.052 0.000 1.040 237 T CB 0.468 69.373 68.868 0.061 0.000 1.167 237 T HN 0.625 nan 8.240 nan 0.000 0.471 238 C N 3.406 122.728 119.300 0.037 0.000 2.293 238 C HA 0.773 5.232 4.460 -0.001 0.000 0.323 238 C C -0.313 174.688 174.990 0.018 0.000 1.240 238 C CA -1.225 57.812 59.018 0.031 0.000 1.497 238 C CB -1.298 26.473 27.740 0.052 0.000 2.171 238 C HN 0.593 nan 8.230 nan 0.000 0.465 239 L N 9.319 130.549 121.223 0.011 0.000 2.292 239 L HA 0.617 4.957 4.340 -0.001 0.000 0.284 239 L C -1.991 174.909 176.870 0.051 0.000 1.065 239 L CA -1.391 53.472 54.840 0.038 0.000 0.806 239 L CB 1.917 43.991 42.059 0.025 0.000 1.175 239 L HN 0.515 nan 8.230 nan 0.000 0.431 240 P HA 0.108 nan 4.420 nan 0.000 0.285 240 P C -1.060 176.402 177.300 0.269 0.000 1.259 240 P CA -0.302 62.910 63.100 0.187 0.000 0.794 240 P CB 1.750 33.548 31.700 0.163 0.000 0.940 241 V N 6.222 126.262 119.914 0.211 0.000 2.318 241 V HA 0.209 4.329 4.120 -0.001 0.000 0.271 241 V C -1.740 174.270 176.094 -0.141 0.000 1.030 241 V CA -2.009 60.329 62.300 0.065 0.000 0.844 241 V CB 0.896 32.712 31.823 -0.013 0.000 1.015 241 V HN 0.561 nan 8.190 nan 0.000 0.460 242 P HA 0.161 nan 4.420 nan 0.000 0.268 242 P C -2.529 174.463 177.300 -0.513 0.000 1.204 242 P CA -1.073 61.633 63.100 -0.656 0.000 0.768 242 P CB 0.373 31.982 31.700 -0.152 0.000 0.842 243 P HA 0.092 nan 4.420 nan 0.000 0.273 243 P C -1.649 175.531 177.300 -0.199 0.000 1.250 243 P CA -1.496 61.410 63.100 -0.323 0.000 0.793 243 P CB -0.506 31.018 31.700 -0.292 0.000 1.011 244 P HA -0.159 nan 4.420 nan 0.000 0.218 244 P C -0.910 176.335 177.300 -0.092 0.000 1.152 244 P CA 2.833 65.875 63.100 -0.096 0.000 0.857 244 P CB -2.148 29.509 31.700 -0.071 0.000 0.787 245 P HA -0.108 nan 4.420 nan 0.000 0.217 245 P C 1.837 179.098 177.300 -0.064 0.000 1.148 245 P CA 1.155 64.211 63.100 -0.073 0.000 0.828 245 P CB -0.383 31.275 31.700 -0.070 0.000 0.783 246 V N 1.077 120.946 119.914 -0.076 0.000 2.256 246 V HA -0.106 4.013 4.120 -0.001 0.000 0.240 246 V C 1.575 177.636 176.094 -0.054 0.000 1.036 246 V CA 1.530 63.800 62.300 -0.050 0.000 1.008 246 V CB -1.061 30.735 31.823 -0.046 0.000 0.648 246 V HN 0.200 nan 8.190 nan 0.000 0.453 247 R N 2.319 122.777 120.500 -0.070 0.000 2.391 247 R HA 0.361 4.701 4.340 -0.001 0.000 0.310 247 R C -2.599 173.642 176.300 -0.098 0.000 1.174 247 R CA -1.593 54.460 56.100 -0.078 0.000 1.118 247 R CB 0.044 30.303 30.300 -0.067 0.000 1.134 247 R HN 0.292 nan 8.270 nan 0.000 0.524 248 P HA 0.045 nan 4.420 nan 0.000 0.302 248 P C -0.771 176.452 177.300 -0.128 0.000 1.301 248 P CA -0.468 62.569 63.100 -0.105 0.000 0.745 248 P CB 0.751 32.393 31.700 -0.096 0.000 1.331 249 S N -1.662 113.963 115.700 -0.126 0.000 2.706 249 S HA 0.423 4.893 4.470 -0.001 0.000 0.270 249 S C -0.304 174.194 174.600 -0.170 0.000 1.163 249 S CA -0.813 57.308 58.200 -0.133 0.000 1.042 249 S CB -0.451 62.691 63.200 -0.096 0.000 1.079 249 S HN 0.232 nan 8.310 nan 0.000 0.474 250 I N 3.949 124.392 120.570 -0.212 0.000 2.372 250 I HA 0.185 4.354 4.170 -0.001 0.000 0.298 250 I C 0.539 176.307 176.117 -0.583 0.000 1.137 250 I CA -0.069 60.991 61.300 -0.400 0.000 1.314 250 I CB 0.055 37.824 38.000 -0.385 0.000 1.444 250 I HN 0.759 nan 8.210 nan 0.000 0.541 251 S N 5.921 121.331 115.700 -0.483 0.000 2.461 251 S HA 0.475 4.945 4.470 -0.001 0.000 0.322 251 S C -0.398 173.980 174.600 -0.370 0.000 1.063 251 S CA -0.757 57.241 58.200 -0.337 0.000 1.120 251 S CB 0.173 63.290 63.200 -0.137 0.000 0.968 251 S HN 0.342 nan 8.310 nan 0.000 0.467 252 F N 4.105 124.059 119.950 0.007 0.000 2.651 252 F HA 0.329 4.855 4.527 -0.000 0.000 0.347 252 F C 1.288 177.091 175.800 0.005 0.000 1.284 252 F CA -0.502 57.502 58.000 0.006 0.000 1.175 252 F CB -1.145 37.859 39.000 0.007 0.000 1.542 252 F HN 0.628 nan 8.300 nan 0.000 0.661 253 N N 1.154 119.908 118.700 0.090 0.000 3.788 253 N HA -0.295 4.445 4.740 -0.001 0.000 0.214 253 N C -0.111 175.431 175.510 0.053 0.000 0.294 253 N CA 1.784 54.872 53.050 0.063 0.000 2.466 253 N CB -0.614 37.920 38.487 0.077 0.000 1.407 253 N HN 0.605 nan 8.380 nan 0.000 0.362 254 E N -0.243 120.000 120.200 0.070 0.000 2.413 254 E HA 0.460 4.810 4.350 -0.001 0.000 0.277 254 E C -0.486 176.153 176.600 0.066 0.000 0.958 254 E CA 0.087 56.520 56.400 0.055 0.000 0.779 254 E CB 2.195 31.917 29.700 0.037 0.000 1.278 254 E HN 0.575 nan 8.360 nan 0.000 0.456 255 S N 0.720 116.453 115.700 0.054 0.000 3.641 255 S HA -0.291 4.178 4.470 -0.001 0.000 0.346 255 S C -0.405 174.238 174.600 0.071 0.000 1.074 255 S CA 1.129 59.360 58.200 0.052 0.000 1.026 255 S CB -1.804 61.419 63.200 0.038 0.000 0.908 255 S HN 0.516 nan 8.310 nan 0.000 0.479 256 Q N -0.086 119.775 119.800 0.102 0.000 2.315 256 Q HA 0.517 4.857 4.340 -0.001 0.000 0.273 256 Q C 0.011 176.101 176.000 0.150 0.000 1.053 256 Q CA -1.084 54.807 55.803 0.147 0.000 0.817 256 Q CB 1.691 30.585 28.738 0.259 0.000 1.326 256 Q HN 0.458 nan 8.270 nan 0.000 0.423 257 R N 0.188 120.773 120.500 0.140 0.000 2.980 257 R HA 0.488 4.828 4.340 -0.001 0.000 0.285 257 R C 0.167 176.560 176.300 0.155 0.000 1.072 257 R CA 0.510 56.688 56.100 0.130 0.000 1.203 257 R CB 0.174 30.549 30.300 0.125 0.000 1.163 257 R HN 0.851 nan 8.270 nan 0.000 0.545 258 G N 0.743 109.618 108.800 0.126 0.000 1.956 258 G HA2 0.100 4.059 3.960 -0.001 0.000 0.189 258 G HA3 0.100 4.059 3.960 -0.001 0.000 0.189 258 G C -1.374 173.530 174.900 0.007 0.000 1.568 258 G CA -0.794 44.350 45.100 0.072 0.000 1.002 258 G HN 0.433 nan 8.290 nan 0.000 0.653 259 E N 1.569 121.754 120.200 -0.025 0.000 2.354 259 E HA 0.188 4.538 4.350 -0.001 0.000 0.283 259 E C -1.282 175.013 176.600 -0.509 0.000 0.938 259 E CA -1.052 55.247 56.400 -0.168 0.000 0.777 259 E CB 2.586 32.261 29.700 -0.042 0.000 1.222 259 E HN 0.424 nan 8.360 nan 0.000 0.423 260 D N 1.586 121.730 120.400 -0.426 0.000 2.400 260 D HA -0.048 4.592 4.640 -0.001 0.000 0.238 260 D C 0.562 176.416 176.300 -0.743 0.000 1.157 260 D CA 0.334 54.053 54.000 -0.468 0.000 0.889 260 D CB 0.904 41.560 40.800 -0.240 0.000 1.199 260 D HN 0.426 nan 8.370 nan 0.000 0.436 261 D N 2.397 122.487 120.400 -0.518 0.000 2.149 261 D HA -0.190 4.450 4.640 -0.001 0.000 0.194 261 D C 2.068 178.315 176.300 -0.088 0.000 1.001 261 D CA 0.899 54.730 54.000 -0.281 0.000 0.849 261 D CB 0.131 40.917 40.800 -0.024 0.000 0.939 261 D HN 0.449 nan 8.370 nan 0.000 0.449 262 L N 0.837 122.027 121.223 -0.057 0.000 2.083 262 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 262 L C 2.603 179.501 176.870 0.047 0.000 1.083 262 L CA 1.174 56.065 54.840 0.084 0.000 0.752 262 L CB -0.669 41.456 42.059 0.109 0.000 0.899 262 L HN 0.057 nan 8.230 nan 0.000 0.433 263 T N -0.386 114.125 114.554 -0.072 0.000 2.746 263 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 263 T C 1.674 176.433 174.700 0.099 0.000 1.039 263 T CA 1.287 63.364 62.100 -0.040 0.000 1.142 263 T CB -0.370 68.437 68.868 -0.101 0.000 0.866 263 T HN 0.191 nan 8.240 nan 0.000 0.444 264 F N 1.381 121.330 119.950 -0.003 0.000 2.026 264 F HA -0.162 4.365 4.527 -0.001 0.000 0.296 264 F C 2.715 178.494 175.800 -0.034 0.000 1.133 264 F CA 0.992 58.985 58.000 -0.011 0.000 1.188 264 F CB -0.272 38.736 39.000 0.013 0.000 0.968 264 F HN 0.044 nan 8.300 nan 0.000 0.476 265 K N 1.257 121.788 120.400 0.219 0.000 2.113 265 K HA -0.199 4.121 4.320 -0.001 0.000 0.208 265 K C 1.755 178.320 176.600 -0.059 0.000 1.047 265 K CA 1.388 57.740 56.287 0.108 0.000 0.928 265 K CB -0.736 31.891 32.500 0.212 0.000 0.716 265 K HN 0.252 nan 8.250 nan 0.000 0.446 266 L N -0.330 120.829 121.223 -0.106 0.000 2.046 266 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 266 L C 2.450 179.229 176.870 -0.152 0.000 1.077 266 L CA 1.280 55.976 54.840 -0.241 0.000 0.747 266 L CB -0.698 41.242 42.059 -0.198 0.000 0.896 266 L HN 0.310 nan 8.230 nan 0.000 0.432 267 A N -0.016 122.765 122.820 -0.064 0.000 1.865 267 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 267 A C 2.015 179.527 177.584 -0.121 0.000 1.191 267 A CA 2.156 54.161 52.037 -0.054 0.000 0.623 267 A CB -0.691 18.311 19.000 0.004 0.000 0.826 267 A HN 0.381 nan 8.150 nan 0.000 0.444 268 D N -0.171 120.116 120.400 -0.188 0.000 2.123 268 D HA -0.140 4.500 4.640 -0.001 0.000 0.196 268 D C 1.939 177.994 176.300 -0.408 0.000 0.992 268 D CA 1.340 55.119 54.000 -0.368 0.000 0.833 268 D CB -0.290 40.134 40.800 -0.627 0.000 0.954 268 D HN 0.533 nan 8.370 nan 0.000 0.455 269 I N 0.444 120.823 120.570 -0.317 0.000 2.179 269 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 269 I C 2.432 178.484 176.117 -0.108 0.000 1.088 269 I CA 0.516 61.720 61.300 -0.159 0.000 1.357 269 I CB -0.146 37.755 38.000 -0.166 0.000 1.051 269 I HN 0.024 nan 8.210 nan 0.000 0.409 270 L N 1.029 122.180 121.223 -0.120 0.000 2.012 270 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 270 L C 2.434 179.273 176.870 -0.053 0.000 1.073 270 L CA 1.906 56.699 54.840 -0.079 0.000 0.748 270 L CB -0.695 41.323 42.059 -0.068 0.000 0.891 270 L HN 0.107 nan 8.230 nan 0.000 0.431 271 K N -0.856 119.504 120.400 -0.066 0.000 1.978 271 K HA -0.158 4.161 4.320 -0.001 0.000 0.214 271 K C 2.052 178.639 176.600 -0.022 0.000 1.049 271 K CA 1.561 57.822 56.287 -0.044 0.000 0.939 271 K CB -0.601 31.862 32.500 -0.062 0.000 0.721 271 K HN 0.405 nan 8.250 nan 0.000 0.441 272 A N 1.822 124.632 122.820 -0.017 0.000 1.986 272 A HA -0.279 4.041 4.320 -0.001 0.000 0.220 272 A C 1.945 179.546 177.584 0.029 0.000 1.171 272 A CA 2.209 54.271 52.037 0.041 0.000 0.640 272 A CB -0.808 18.275 19.000 0.138 0.000 0.811 272 A HN 0.389 nan 8.150 nan 0.000 0.451 273 N N -0.155 118.550 118.700 0.007 0.000 2.142 273 N HA -0.068 4.672 4.740 -0.001 0.000 0.186 273 N C 1.466 176.974 175.510 -0.003 0.000 1.023 273 N CA 1.758 54.808 53.050 -0.001 0.000 0.852 273 N CB -0.306 38.167 38.487 -0.023 0.000 0.998 273 N HN 0.522 nan 8.380 nan 0.000 0.424 274 I N -0.122 120.446 120.570 -0.004 0.000 2.353 274 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 274 I C 2.059 178.182 176.117 0.011 0.000 1.119 274 I CA 1.024 62.326 61.300 0.003 0.000 1.417 274 I CB -0.344 37.661 38.000 0.009 0.000 1.078 274 I HN 0.275 nan 8.210 nan 0.000 0.421 275 S N 0.928 116.634 115.700 0.011 0.000 2.474 275 S HA -0.148 4.321 4.470 -0.001 0.000 0.235 275 S C 1.916 176.525 174.600 0.016 0.000 0.997 275 S CA 0.644 58.852 58.200 0.014 0.000 0.949 275 S CB -0.425 62.783 63.200 0.013 0.000 0.766 275 S HN 0.363 nan 8.310 nan 0.000 0.517 276 L N 1.748 122.980 121.223 0.015 0.000 2.095 276 L HA 0.202 4.541 4.340 -0.001 0.000 0.204 276 L C 2.311 179.191 176.870 0.017 0.000 1.080 276 L CA 1.696 56.544 54.840 0.013 0.000 0.759 276 L CB -0.729 41.337 42.059 0.011 0.000 0.914 276 L HN 0.286 nan 8.230 nan 0.000 0.439 277 E N -1.180 119.030 120.200 0.017 0.000 2.150 277 E HA -0.109 4.240 4.350 -0.001 0.000 0.193 277 E C 0.714 177.343 176.600 0.049 0.000 0.985 277 E CA 1.290 57.704 56.400 0.023 0.000 0.814 277 E CB -0.145 29.558 29.700 0.006 0.000 0.752 277 E HN 0.409 nan 8.360 nan 0.000 0.466 278 T N 1.177 115.759 114.554 0.046 0.000 3.535 278 T HA 0.182 4.532 4.350 -0.001 0.000 0.238 278 T C 0.719 175.449 174.700 0.049 0.000 0.909 278 T CA 0.376 62.516 62.100 0.067 0.000 0.928 278 T CB -0.147 68.752 68.868 0.052 0.000 1.134 278 T HN 0.071 nan 8.240 nan 0.000 0.627 279 L N -0.849 120.402 121.223 0.045 0.000 3.664 279 L HA 0.323 4.663 4.340 -0.001 0.000 0.341 279 L C 1.374 178.260 176.870 0.027 0.000 1.247 279 L CA 0.076 54.930 54.840 0.024 0.000 1.133 279 L CB 0.620 42.687 42.059 0.013 0.000 1.498 279 L HN 0.175 nan 8.230 nan 0.000 0.628 280 E N -1.114 119.117 120.200 0.052 0.000 2.406 280 E HA -0.016 4.334 4.350 -0.001 0.000 0.204 280 E C 1.300 177.949 176.600 0.081 0.000 0.820 280 E CA 0.057 56.489 56.400 0.054 0.000 1.136 280 E CB 0.436 30.169 29.700 0.054 0.000 1.129 280 E HN 0.284 nan 8.360 nan 0.000 0.530 281 H N 1.229 120.300 119.070 0.002 0.000 2.491 281 H HA 0.103 4.659 4.556 -0.001 0.000 0.290 281 H C 1.055 176.383 175.328 0.000 0.000 1.050 281 H CA 1.187 57.236 56.048 0.002 0.000 1.309 281 H CB 0.268 30.032 29.762 0.003 0.000 1.392 281 H HN -0.039 nan 8.280 nan 0.000 0.554 282 N N 0.191 118.864 118.700 -0.045 0.000 2.200 282 N HA 0.168 4.908 4.740 -0.001 0.000 0.224 282 N C 0.065 175.540 175.510 -0.057 0.000 1.179 282 N CA 0.708 53.700 53.050 -0.097 0.000 0.877 282 N CB 0.910 39.369 38.487 -0.046 0.000 1.072 282 N HN 0.500 nan 8.380 nan 0.000 0.519 283 G N 1.070 109.849 108.800 -0.035 0.000 2.992 283 G HA2 0.129 4.088 3.960 -0.001 0.000 0.340 283 G HA3 0.129 4.088 3.960 -0.001 0.000 0.340 283 G C -0.543 174.338 174.900 -0.030 0.000 1.539 283 G CA -0.208 44.876 45.100 -0.027 0.000 0.997 283 G HN 0.630 nan 8.290 nan 0.000 0.561 284 A N 0.346 123.140 122.820 -0.043 0.000 2.481 284 A HA 0.773 5.093 4.320 -0.001 0.000 0.295 284 A C -2.866 174.646 177.584 -0.120 0.000 0.986 284 A CA 0.067 52.068 52.037 -0.060 0.000 0.617 284 A CB -0.008 18.972 19.000 -0.032 0.000 1.364 284 A HN 1.185 nan 8.150 nan 0.000 0.452 285 P HA 0.404 nan 4.420 nan 0.000 0.272 285 P C 0.385 177.574 177.300 -0.184 0.000 1.240 285 P CA -0.280 62.676 63.100 -0.240 0.000 0.791 285 P CB 0.298 31.931 31.700 -0.111 0.000 0.978 286 H N -0.264 118.832 119.070 0.045 0.000 2.307 286 H HA -0.111 4.444 4.556 -0.000 0.000 0.303 286 H C 1.678 177.050 175.328 0.072 0.000 1.073 286 H CA 1.705 57.783 56.048 0.049 0.000 1.338 286 H CB -0.912 28.880 29.762 0.051 0.000 1.389 286 H HN 0.566 nan 8.280 nan 0.000 0.503 287 H N 1.070 120.204 119.070 0.105 0.000 2.543 287 H HA 0.052 4.608 4.556 -0.001 0.000 0.286 287 H C 1.939 177.284 175.328 0.028 0.000 1.037 287 H CA 0.900 56.982 56.048 0.057 0.000 1.250 287 H CB 0.068 29.854 29.762 0.041 0.000 1.373 287 H HN 0.390 nan 8.280 nan 0.000 0.580 288 A N -0.091 122.741 122.820 0.019 0.000 1.878 288 A HA 0.032 4.351 4.320 -0.001 0.000 0.213 288 A C 2.350 179.907 177.584 -0.045 0.000 1.192 288 A CA 0.891 52.910 52.037 -0.032 0.000 0.619 288 A CB -0.367 18.627 19.000 -0.011 0.000 0.837 288 A HN 0.421 nan 8.150 nan 0.000 0.446 289 I N -0.141 120.421 120.570 -0.014 0.000 2.493 289 I HA -0.219 3.951 4.170 -0.001 0.000 0.254 289 I C 2.359 178.459 176.117 -0.027 0.000 1.160 289 I CA 1.148 62.444 61.300 -0.006 0.000 1.445 289 I CB -0.281 37.733 38.000 0.025 0.000 1.086 289 I HN 0.463 nan 8.210 nan 0.000 0.433 290 E N 0.592 120.760 120.200 -0.054 0.000 2.028 290 E HA -0.235 4.115 4.350 -0.001 0.000 0.190 290 E C 2.011 178.540 176.600 -0.118 0.000 0.984 290 E CA 1.016 57.366 56.400 -0.084 0.000 0.800 290 E CB 0.012 29.650 29.700 -0.104 0.000 0.758 290 E HN 0.315 nan 8.360 nan 0.000 0.448 291 E N 0.685 120.772 120.200 -0.187 0.000 2.085 291 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 291 E C 1.817 178.373 176.600 -0.074 0.000 0.994 291 E CA 1.309 57.617 56.400 -0.153 0.000 0.801 291 E CB -0.181 29.420 29.700 -0.165 0.000 0.743 291 E HN 0.285 nan 8.360 nan 0.000 0.453 292 A N 0.572 123.361 122.820 -0.052 0.000 1.902 292 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 292 A C 1.989 179.572 177.584 -0.001 0.000 1.181 292 A CA 1.623 53.652 52.037 -0.015 0.000 0.623 292 A CB -0.433 18.561 19.000 -0.009 0.000 0.818 292 A HN 0.226 nan 8.150 nan 0.000 0.443 293 E N 0.314 120.504 120.200 -0.017 0.000 2.012 293 E HA -0.174 4.176 4.350 -0.001 0.000 0.197 293 E C 2.358 178.958 176.600 0.000 0.000 1.007 293 E CA 1.743 58.135 56.400 -0.013 0.000 0.816 293 E CB -0.291 29.389 29.700 -0.033 0.000 0.762 293 E HN 0.764 nan 8.360 nan 0.000 0.451 294 S N 1.093 116.786 115.700 -0.012 0.000 2.465 294 S HA -0.176 4.294 4.470 -0.001 0.000 0.241 294 S C 1.963 176.595 174.600 0.054 0.000 1.000 294 S CA 0.861 59.069 58.200 0.014 0.000 0.964 294 S CB -0.241 62.954 63.200 -0.007 0.000 0.763 294 S HN 0.155 nan 8.310 nan 0.000 0.512 295 L N 0.727 121.975 121.223 0.042 0.000 2.044 295 L HA 0.207 4.546 4.340 -0.001 0.000 0.205 295 L C 2.193 179.166 176.870 0.171 0.000 1.075 295 L CA 1.335 56.220 54.840 0.076 0.000 0.747 295 L CB -0.916 41.184 42.059 0.068 0.000 0.903 295 L HN 0.325 nan 8.230 nan 0.000 0.435 296 L N -0.038 121.272 121.223 0.145 0.000 1.989 296 L HA -0.245 4.095 4.340 -0.001 0.000 0.211 296 L C 2.629 179.586 176.870 0.144 0.000 1.071 296 L CA 2.326 57.260 54.840 0.157 0.000 0.749 296 L CB -1.126 40.980 42.059 0.078 0.000 0.890 296 L HN 0.596 nan 8.230 nan 0.000 0.431 297 Q N -1.096 118.764 119.800 0.100 0.000 2.152 297 Q HA -0.307 4.033 4.340 -0.001 0.000 0.206 297 Q C 2.116 178.184 176.000 0.113 0.000 0.985 297 Q CA 2.328 58.186 55.803 0.090 0.000 0.863 297 Q CB -0.777 27.998 28.738 0.061 0.000 0.904 297 Q HN 0.532 nan 8.270 nan 0.000 0.422 298 F N -0.355 119.579 119.950 -0.026 0.000 2.186 298 F HA -0.117 4.409 4.527 -0.001 0.000 0.299 298 F C 1.640 177.381 175.800 -0.099 0.000 1.090 298 F CA 2.068 60.013 58.000 -0.092 0.000 1.307 298 F CB -0.193 38.684 39.000 -0.204 0.000 1.019 298 F HN 0.275 nan 8.300 nan 0.000 0.489 299 H N -1.715 117.395 119.070 0.065 0.000 2.384 299 H HA -0.033 4.522 4.556 -0.001 0.000 0.300 299 H C 2.307 177.642 175.328 0.012 0.000 1.057 299 H CA 1.449 57.500 56.048 0.004 0.000 1.370 299 H CB -0.279 29.526 29.762 0.072 0.000 1.417 299 H HN 0.067 nan 8.280 nan 0.000 0.527 300 V N 0.911 120.915 119.914 0.151 0.000 2.469 300 V HA -0.280 3.839 4.120 -0.001 0.000 0.251 300 V C 2.450 178.610 176.094 0.110 0.000 1.064 300 V CA 1.645 64.028 62.300 0.138 0.000 1.066 300 V CB -0.812 31.068 31.823 0.095 0.000 0.667 300 V HN 0.556 nan 8.190 nan 0.000 0.461 301 A N -0.278 122.558 122.820 0.025 0.000 1.854 301 A HA -0.171 4.149 4.320 -0.001 0.000 0.214 301 A C 2.389 179.931 177.584 -0.072 0.000 1.192 301 A CA 2.222 54.246 52.037 -0.022 0.000 0.611 301 A CB -0.991 17.983 19.000 -0.042 0.000 0.832 301 A HN 0.457 nan 8.150 nan 0.000 0.442 302 T N -1.177 113.260 114.554 -0.195 0.000 2.915 302 T HA -0.136 4.214 4.350 -0.001 0.000 0.269 302 T C 1.697 176.400 174.700 0.005 0.000 1.071 302 T CA 1.448 63.437 62.100 -0.184 0.000 1.132 302 T CB -0.408 68.226 68.868 -0.389 0.000 0.878 302 T HN 0.555 nan 8.240 nan 0.000 0.479 303 Y N 1.531 121.803 120.300 -0.046 0.000 2.256 303 Y HA -0.067 4.483 4.550 -0.001 0.000 0.288 303 Y C 1.899 177.803 175.900 0.007 0.000 1.155 303 Y CA 1.131 59.233 58.100 0.003 0.000 1.203 303 Y CB -0.357 38.113 38.460 0.016 0.000 0.980 303 Y HN 0.205 nan 8.280 nan 0.000 0.530 304 M N -1.105 118.401 119.600 -0.157 0.000 2.657 304 M HA 0.127 4.607 4.480 -0.001 0.000 0.262 304 M C -0.691 175.577 176.300 -0.054 0.000 1.213 304 M CA 0.558 55.736 55.300 -0.202 0.000 1.182 304 M CB 0.588 33.099 32.600 -0.148 0.000 1.303 304 M HN -0.118 nan 8.290 nan 0.000 0.501 305 D N 0.947 121.334 120.400 -0.020 0.000 2.855 305 D HA 0.240 4.880 4.640 -0.001 0.000 0.241 305 D C -1.200 175.084 176.300 -0.027 0.000 1.277 305 D CA -0.235 53.766 54.000 0.002 0.000 0.918 305 D CB 1.111 41.946 40.800 0.058 0.000 1.462 305 D HN -0.038 nan 8.370 nan 0.000 0.559 306 N N 2.050 120.738 118.700 -0.019 0.000 2.767 306 N HA 0.154 4.894 4.740 -0.001 0.000 0.238 306 N C -1.030 174.480 175.510 -0.000 0.000 1.083 306 N CA 0.107 53.146 53.050 -0.018 0.000 0.964 306 N CB 0.618 39.105 38.487 0.001 0.000 1.252 306 N HN 0.357 nan 8.380 nan 0.000 0.512 307 D N 3.174 123.575 120.400 0.002 0.000 3.443 307 D HA 0.234 4.874 4.640 -0.001 0.000 0.243 307 D C -0.466 175.851 176.300 0.030 0.000 1.446 307 D CA 0.005 54.016 54.000 0.018 0.000 0.880 307 D CB 0.198 41.004 40.800 0.011 0.000 1.470 307 D HN 0.323 nan 8.370 nan 0.000 0.658 308 I N -0.534 120.066 120.570 0.049 0.000 3.617 308 I HA 0.408 4.577 4.170 -0.001 0.000 0.302 308 I C 1.789 177.982 176.117 0.127 0.000 1.193 308 I CA -0.898 60.452 61.300 0.084 0.000 1.095 308 I CB 0.360 38.411 38.000 0.085 0.000 1.333 308 I HN -0.029 nan 8.210 nan 0.000 0.454 309 A N 0.332 123.258 122.820 0.177 0.000 1.958 309 A HA 0.087 4.407 4.320 -0.001 0.000 0.221 309 A C 1.008 178.691 177.584 0.165 0.000 1.178 309 A CA 2.300 54.431 52.037 0.157 0.000 0.642 309 A CB -0.919 18.169 19.000 0.147 0.000 0.816 309 A HN 0.885 nan 8.150 nan 0.000 0.453 310 G N -2.700 106.275 108.800 0.291 0.000 2.949 310 G HA2 0.550 4.510 3.960 -0.001 0.000 0.285 310 G HA3 0.550 4.510 3.960 -0.001 0.000 0.285 310 G C -1.131 173.923 174.900 0.257 0.000 1.395 310 G CA -0.573 44.684 45.100 0.261 0.000 0.901 310 G HN 0.203 nan 8.290 nan 0.000 0.519 311 Q N 1.274 121.197 119.800 0.206 0.000 2.798 311 Q HA 0.260 4.599 4.340 -0.001 0.000 0.250 311 Q C -2.534 173.571 176.000 0.175 0.000 1.006 311 Q CA -1.672 54.221 55.803 0.150 0.000 0.759 311 Q CB 2.241 31.038 28.738 0.098 0.000 1.201 311 Q HN 0.368 nan 8.270 nan 0.000 0.486 312 P HA -0.063 nan 4.420 nan 0.000 0.264 312 P C -0.580 176.828 177.300 0.179 0.000 1.236 312 P CA 0.323 63.576 63.100 0.255 0.000 0.811 312 P CB 0.615 32.536 31.700 0.368 0.000 0.840 313 Q N 1.858 121.745 119.800 0.144 0.000 2.129 313 Q HA 0.342 4.682 4.340 -0.001 0.000 0.274 313 Q C 0.113 176.172 176.000 0.098 0.000 0.854 313 Q CA -0.441 55.432 55.803 0.117 0.000 1.123 313 Q CB 1.037 29.831 28.738 0.093 0.000 1.226 313 Q HN 0.485 nan 8.270 nan 0.000 0.454 314 A N 1.766 124.648 122.820 0.103 0.000 2.923 314 A HA 0.494 4.814 4.320 -0.001 0.000 0.306 314 A C -0.343 177.251 177.584 0.016 0.000 1.542 314 A CA -0.134 51.937 52.037 0.056 0.000 1.225 314 A CB -0.333 18.704 19.000 0.063 0.000 1.147 314 A HN 0.399 nan 8.150 nan 0.000 0.542 315 L N 1.597 122.811 121.223 -0.015 0.000 2.514 315 L HA 0.310 4.650 4.340 -0.001 0.000 0.257 315 L C 0.607 177.311 176.870 -0.277 0.000 1.101 315 L CA -0.281 54.464 54.840 -0.159 0.000 0.911 315 L CB 0.804 42.915 42.059 0.085 0.000 1.162 315 L HN 0.868 nan 8.230 nan 0.000 0.477 316 Q N -0.065 119.548 119.800 -0.312 0.000 2.253 316 Q HA -0.225 4.115 4.340 -0.001 0.000 0.186 316 Q C -0.215 175.739 176.000 -0.077 0.000 0.624 316 Q CA 1.540 57.204 55.803 -0.232 0.000 1.417 316 Q CB -0.439 28.105 28.738 -0.322 0.000 1.543 316 Q HN 0.596 nan 8.270 nan 0.000 0.809 317 K N -0.195 120.182 120.400 -0.038 0.000 2.274 317 K HA 0.316 4.635 4.320 -0.001 0.000 0.262 317 K C 0.815 177.419 176.600 0.006 0.000 0.961 317 K CA 0.383 56.676 56.287 0.010 0.000 0.833 317 K CB 1.410 33.939 32.500 0.049 0.000 1.102 317 K HN 0.127 nan 8.250 nan 0.000 0.436 318 S N 0.857 116.561 115.700 0.007 0.000 2.470 318 S HA -0.034 4.436 4.470 -0.001 0.000 0.222 318 S C 1.847 176.457 174.600 0.016 0.000 1.024 318 S CA 0.448 58.652 58.200 0.007 0.000 0.931 318 S CB 0.043 63.244 63.200 0.002 0.000 0.791 318 S HN 0.758 nan 8.310 nan 0.000 0.513 319 G N 1.649 110.462 108.800 0.022 0.000 2.470 319 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.220 319 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.220 319 G C 0.430 175.350 174.900 0.033 0.000 1.121 319 G CA -0.063 45.053 45.100 0.026 0.000 0.766 319 G HN 0.557 nan 8.290 nan 0.000 0.553 320 R N -1.248 119.275 120.500 0.039 0.000 3.055 320 R HA -0.118 4.222 4.340 -0.001 0.000 0.265 320 R C -2.898 173.438 176.300 0.059 0.000 0.947 320 R CA 0.103 56.233 56.100 0.049 0.000 0.652 320 R CB -1.940 28.387 30.300 0.046 0.000 1.367 320 R HN 0.343 nan 8.270 nan 0.000 0.441 321 P HA 0.581 nan 4.420 nan 0.000 0.289 321 P C -1.040 176.315 177.300 0.091 0.000 1.293 321 P CA -0.816 62.327 63.100 0.073 0.000 0.897 321 P CB 2.125 33.868 31.700 0.072 0.000 1.166 322 V N 1.260 121.223 119.914 0.082 0.000 3.188 322 V HA 0.643 4.762 4.120 -0.001 0.000 0.305 322 V C -1.702 174.434 176.094 0.070 0.000 1.232 322 V CA -0.719 61.636 62.300 0.091 0.000 1.043 322 V CB 2.298 34.176 31.823 0.092 0.000 1.068 322 V HN 0.447 nan 8.190 nan 0.000 0.439 323 K N 1.946 122.390 120.400 0.072 0.000 2.551 323 K HA 0.763 5.083 4.320 -0.001 0.000 0.269 323 K C -1.343 175.283 176.600 0.044 0.000 0.949 323 K CA -0.477 55.837 56.287 0.046 0.000 0.849 323 K CB 2.322 34.844 32.500 0.036 0.000 1.411 323 K HN 0.960 nan 8.250 nan 0.000 0.432 324 S N -0.059 115.647 115.700 0.009 0.000 2.794 324 S HA 0.507 4.977 4.470 -0.001 0.000 0.299 324 S C 0.834 175.391 174.600 -0.072 0.000 1.179 324 S CA -0.925 57.259 58.200 -0.027 0.000 0.838 324 S CB 0.561 63.741 63.200 -0.034 0.000 1.206 324 S HN 0.560 nan 8.310 nan 0.000 0.523 325 I N 0.814 121.289 120.570 -0.158 0.000 2.193 325 I HA -0.021 4.148 4.170 -0.001 0.000 0.240 325 I C 2.935 179.006 176.117 -0.076 0.000 1.084 325 I CA 1.038 62.254 61.300 -0.140 0.000 1.365 325 I CB -0.407 37.454 38.000 -0.232 0.000 1.064 325 I HN 0.734 nan 8.210 nan 0.000 0.410 326 R N 1.695 122.156 120.500 -0.065 0.000 2.091 326 R HA -0.209 4.131 4.340 -0.001 0.000 0.238 326 R C 2.296 178.562 176.300 -0.057 0.000 1.136 326 R CA 1.838 57.900 56.100 -0.062 0.000 0.959 326 R CB -0.262 30.011 30.300 -0.046 0.000 0.856 326 R HN 0.377 nan 8.270 nan 0.000 0.437 327 A N 1.124 123.918 122.820 -0.043 0.000 1.930 327 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 327 A C 2.178 179.745 177.584 -0.027 0.000 1.175 327 A CA 1.094 53.114 52.037 -0.029 0.000 0.627 327 A CB -0.425 18.566 19.000 -0.015 0.000 0.815 327 A HN 0.340 nan 8.150 nan 0.000 0.443 328 R N -0.785 119.696 120.500 -0.031 0.000 2.127 328 R HA -0.046 4.294 4.340 -0.001 0.000 0.238 328 R C 1.854 178.139 176.300 -0.024 0.000 1.134 328 R CA 1.295 57.380 56.100 -0.025 0.000 0.975 328 R CB -0.423 29.861 30.300 -0.026 0.000 0.865 328 R HN 0.509 nan 8.270 nan 0.000 0.447 329 L N 0.548 121.751 121.223 -0.034 0.000 2.313 329 L HA -0.084 4.255 4.340 -0.001 0.000 0.214 329 L C 1.637 178.485 176.870 -0.036 0.000 1.119 329 L CA 0.909 55.728 54.840 -0.036 0.000 0.809 329 L CB -0.048 41.978 42.059 -0.054 0.000 0.933 329 L HN 0.082 nan 8.230 nan 0.000 0.449 330 K N -0.161 120.218 120.400 -0.035 0.000 2.574 330 K HA -0.026 4.294 4.320 -0.001 0.000 0.193 330 K C 1.254 177.842 176.600 -0.020 0.000 1.035 330 K CA 0.737 57.007 56.287 -0.028 0.000 0.982 330 K CB 0.016 32.502 32.500 -0.024 0.000 0.795 330 K HN 0.332 nan 8.250 nan 0.000 0.491 331 G N 0.269 109.058 108.800 -0.019 0.000 4.213 331 G HA2 0.079 4.039 3.960 -0.001 0.000 0.274 331 G HA3 0.079 4.039 3.960 -0.001 0.000 0.274 331 G C 0.526 175.417 174.900 -0.014 0.000 1.033 331 G CA -0.313 44.778 45.100 -0.014 0.000 0.822 331 G HN 0.067 nan 8.290 nan 0.000 0.432 332 K N -0.038 120.352 120.400 -0.017 0.000 2.554 332 K HA 0.152 4.472 4.320 -0.001 0.000 0.211 332 K C 1.362 177.952 176.600 -0.016 0.000 1.226 332 K CA 0.476 56.755 56.287 -0.014 0.000 1.025 332 K CB 0.923 33.416 32.500 -0.011 0.000 1.021 332 K HN 0.387 nan 8.250 nan 0.000 0.600 333 E N -0.534 119.652 120.200 -0.023 0.000 2.441 333 E HA 0.061 4.411 4.350 -0.001 0.000 0.212 333 E C 1.398 177.984 176.600 -0.024 0.000 0.840 333 E CA 0.317 56.700 56.400 -0.028 0.000 1.143 333 E CB 0.529 30.203 29.700 -0.044 0.000 1.153 333 E HN 0.107 nan 8.360 nan 0.000 0.539 334 G N 1.048 109.835 108.800 -0.022 0.000 2.796 334 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.210 334 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.210 334 G C 1.599 176.490 174.900 -0.016 0.000 1.146 334 G CA -0.091 44.998 45.100 -0.019 0.000 0.779 334 G HN 0.090 nan 8.290 nan 0.000 0.535 335 R N -0.192 120.299 120.500 -0.015 0.000 2.265 335 R HA 0.346 4.686 4.340 -0.001 0.000 0.194 335 R C 1.579 177.871 176.300 -0.013 0.000 0.931 335 R CA 0.047 56.139 56.100 -0.013 0.000 1.032 335 R CB 0.025 30.319 30.300 -0.012 0.000 0.980 335 R HN 0.336 nan 8.270 nan 0.000 0.497 336 I N -0.340 120.222 120.570 -0.013 0.000 3.783 336 I HA 0.026 4.195 4.170 -0.001 0.000 0.310 336 I C 2.221 178.329 176.117 -0.015 0.000 1.274 336 I CA 0.162 61.455 61.300 -0.012 0.000 1.294 336 I CB 0.071 38.065 38.000 -0.010 0.000 1.051 336 I HN 0.087 nan 8.210 nan 0.000 0.435 337 R N 1.242 121.731 120.500 -0.017 0.000 2.189 337 R HA 0.033 4.373 4.340 -0.001 0.000 0.203 337 R C 2.141 178.429 176.300 -0.021 0.000 1.012 337 R CA 0.911 56.998 56.100 -0.021 0.000 1.015 337 R CB -0.048 30.237 30.300 -0.024 0.000 0.938 337 R HN 0.298 nan 8.270 nan 0.000 0.472 338 G N 0.182 108.971 108.800 -0.018 0.000 2.534 338 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 338 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 338 G C 1.046 175.937 174.900 -0.015 0.000 1.128 338 G CA 0.287 45.377 45.100 -0.017 0.000 0.784 338 G HN 0.284 nan 8.290 nan 0.000 0.542 339 N N -0.259 118.432 118.700 -0.015 0.000 2.254 339 N HA 0.159 4.899 4.740 -0.001 0.000 0.190 339 N C 1.283 176.785 175.510 -0.014 0.000 1.107 339 N CA -0.059 52.983 53.050 -0.013 0.000 0.869 339 N CB 0.621 39.102 38.487 -0.012 0.000 0.983 339 N HN 0.235 nan 8.380 nan 0.000 0.487 340 L N 0.569 121.782 121.223 -0.017 0.000 2.685 340 L HA 0.311 4.651 4.340 -0.001 0.000 0.233 340 L C 0.941 177.798 176.870 -0.023 0.000 1.173 340 L CA 0.215 55.044 54.840 -0.019 0.000 0.961 340 L CB 0.025 42.072 42.059 -0.020 0.000 1.217 340 L HN -0.011 nan 8.230 nan 0.000 0.478 341 M N -0.827 118.760 119.600 -0.021 0.000 2.504 341 M HA 0.281 4.761 4.480 -0.001 0.000 0.370 341 M C 0.694 176.984 176.300 -0.016 0.000 1.110 341 M CA -0.121 55.166 55.300 -0.022 0.000 0.938 341 M CB 1.165 33.751 32.600 -0.023 0.000 1.460 341 M HN 0.135 nan 8.290 nan 0.000 0.535 342 G N 2.523 111.314 108.800 -0.015 0.000 2.331 342 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.254 342 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.254 342 G C 0.183 175.082 174.900 -0.001 0.000 0.879 342 G CA 0.398 45.493 45.100 -0.009 0.000 1.287 342 G HN 0.555 nan 8.290 nan 0.000 0.383 343 K N 0.579 120.977 120.400 -0.002 0.000 2.363 343 K HA 0.121 4.441 4.320 -0.001 0.000 0.215 343 K C 1.466 178.066 176.600 -0.000 0.000 1.179 343 K CA -0.165 56.122 56.287 -0.001 0.000 0.856 343 K CB 0.500 32.996 32.500 -0.007 0.000 1.371 343 K HN 0.330 nan 8.250 nan 0.000 0.455 344 R N 2.666 123.162 120.500 -0.008 0.000 4.045 344 R HA 0.073 4.413 4.340 -0.001 0.000 0.174 344 R C -0.517 175.775 176.300 -0.014 0.000 1.805 344 R CA -0.089 56.000 56.100 -0.019 0.000 1.368 344 R CB -0.412 29.871 30.300 -0.027 0.000 1.362 344 R HN -0.035 nan 8.270 nan 0.000 0.777 345 V N 3.836 123.755 119.914 0.007 0.000 2.157 345 V HA -0.051 4.069 4.120 -0.001 0.000 0.241 345 V C 0.561 176.663 176.094 0.013 0.000 1.349 345 V CA -0.239 62.089 62.300 0.047 0.000 1.319 345 V CB -0.860 31.020 31.823 0.095 0.000 1.421 345 V HN 0.527 nan 8.190 nan 0.000 0.501 346 D N 2.967 123.335 120.400 -0.054 0.000 2.304 346 D HA 0.243 4.882 4.640 -0.001 0.000 0.247 346 D C 0.255 176.478 176.300 -0.128 0.000 1.089 346 D CA -0.956 52.885 54.000 -0.265 0.000 0.910 346 D CB 0.924 41.414 40.800 -0.517 0.000 1.199 346 D HN 0.356 nan 8.370 nan 0.000 0.426 347 F N -0.479 119.522 119.950 0.086 0.000 3.030 347 F HA -0.236 4.291 4.527 -0.001 0.000 0.309 347 F C -0.053 175.814 175.800 0.112 0.000 0.941 347 F CA 0.537 58.597 58.000 0.101 0.000 1.082 347 F CB -1.977 37.088 39.000 0.109 0.000 1.113 347 F HN 0.605 nan 8.300 nan 0.000 0.716 348 S N -0.905 114.907 115.700 0.186 0.000 2.570 348 S HA 0.982 5.452 4.470 -0.001 0.000 0.270 348 S C -0.606 174.024 174.600 0.051 0.000 1.149 348 S CA -0.410 57.837 58.200 0.079 0.000 0.837 348 S CB 2.407 65.619 63.200 0.020 0.000 1.124 348 S HN 1.174 nan 8.310 nan 0.000 0.465 349 A N 1.005 123.857 122.820 0.052 0.000 2.532 349 A HA 0.962 5.281 4.320 -0.001 0.000 0.290 349 A C -0.759 176.939 177.584 0.190 0.000 1.143 349 A CA -0.993 51.122 52.037 0.129 0.000 0.728 349 A CB 1.839 20.966 19.000 0.212 0.000 1.317 349 A HN 1.045 nan 8.150 nan 0.000 0.414 350 R N -0.190 120.413 120.500 0.172 0.000 2.651 350 R HA 0.747 5.087 4.340 -0.001 0.000 0.278 350 R C -1.470 174.880 176.300 0.085 0.000 1.010 350 R CA 0.076 56.295 56.100 0.197 0.000 0.896 350 R CB 2.121 32.467 30.300 0.077 0.000 1.211 350 R HN 1.020 nan 8.270 nan 0.000 0.456 351 T N -0.306 114.312 114.554 0.106 0.000 2.663 351 T HA 0.179 4.529 4.350 -0.001 0.000 0.305 351 T C -0.836 173.889 174.700 0.041 0.000 1.660 351 T CA -0.774 61.290 62.100 -0.061 0.000 0.976 351 T CB 0.729 69.385 68.868 -0.354 0.000 1.705 351 T HN 0.241 nan 8.240 nan 0.000 0.494 352 V N 1.747 121.658 119.914 -0.004 0.000 2.843 352 V HA 0.359 4.479 4.120 -0.001 0.000 0.305 352 V C 0.481 176.645 176.094 0.117 0.000 1.065 352 V CA -0.120 62.212 62.300 0.053 0.000 1.116 352 V CB 0.158 31.993 31.823 0.021 0.000 0.968 352 V HN 0.762 nan 8.190 nan 0.000 0.487 353 I N 1.211 121.907 120.570 0.211 0.000 2.648 353 I HA 0.850 5.019 4.170 -0.001 0.000 0.304 353 I C -0.248 176.030 176.117 0.268 0.000 1.009 353 I CA -0.269 61.219 61.300 0.312 0.000 1.114 353 I CB 2.289 40.552 38.000 0.439 0.000 1.293 353 I HN 0.482 nan 8.210 nan 0.000 0.449 354 S N 1.772 117.448 115.700 -0.040 0.000 2.549 354 S HA 0.714 5.184 4.470 -0.001 0.000 0.280 354 S C -0.085 173.884 174.600 -1.051 0.000 1.109 354 S CA -0.708 57.128 58.200 -0.607 0.000 0.905 354 S CB 1.787 64.812 63.200 -0.291 0.000 1.081 354 S HN 1.073 nan 8.310 nan 0.000 0.477 355 G N 0.361 108.125 108.800 -1.727 0.000 2.507 355 G HA2 0.507 4.467 3.960 -0.001 0.000 0.271 355 G HA3 0.507 4.467 3.960 -0.001 0.000 0.271 355 G C -1.167 173.535 174.900 -0.330 0.000 1.189 355 G CA -0.067 44.513 45.100 -0.867 0.000 0.859 355 G HN 0.574 nan 8.290 nan 0.000 0.542 356 D N 0.993 121.320 120.400 -0.121 0.000 2.478 356 D HA 0.231 4.871 4.640 -0.001 0.000 0.240 356 D C -1.764 174.533 176.300 -0.005 0.000 1.364 356 D CA -1.333 52.631 54.000 -0.060 0.000 0.987 356 D CB 2.470 43.248 40.800 -0.037 0.000 1.328 356 D HN 0.112 nan 8.370 nan 0.000 0.584 357 P HA -0.022 nan 4.420 nan 0.000 0.228 357 P C 0.433 177.746 177.300 0.022 0.000 1.151 357 P CA 0.433 63.537 63.100 0.006 0.000 0.770 357 P CB 0.571 32.258 31.700 -0.023 0.000 0.786 358 N N -0.456 118.267 118.700 0.037 0.000 2.235 358 N HA 0.166 4.905 4.740 -0.001 0.000 0.209 358 N C 0.429 175.981 175.510 0.071 0.000 1.122 358 N CA 0.071 53.166 53.050 0.074 0.000 0.845 358 N CB 0.637 39.187 38.487 0.105 0.000 1.004 358 N HN 0.271 nan 8.380 nan 0.000 0.499 359 L N 0.992 122.248 121.223 0.055 0.000 2.334 359 L HA 0.293 4.633 4.340 -0.001 0.000 0.275 359 L C 0.616 177.523 176.870 0.061 0.000 1.036 359 L CA -0.799 54.073 54.840 0.052 0.000 0.807 359 L CB 1.284 43.368 42.059 0.041 0.000 1.231 359 L HN -0.142 nan 8.230 nan 0.000 0.438 360 E N 1.318 121.552 120.200 0.057 0.000 2.373 360 E HA 0.007 4.356 4.350 -0.001 0.000 0.263 360 E C 0.757 177.384 176.600 0.046 0.000 1.073 360 E CA -0.324 56.110 56.400 0.057 0.000 0.894 360 E CB 1.207 30.935 29.700 0.046 0.000 1.008 360 E HN 0.426 nan 8.360 nan 0.000 0.420 361 L N 2.697 123.933 121.223 0.022 0.000 2.064 361 L HA -0.253 4.086 4.340 -0.001 0.000 0.216 361 L C 1.314 178.162 176.870 -0.037 0.000 1.077 361 L CA 2.324 57.130 54.840 -0.055 0.000 0.766 361 L CB -0.341 41.598 42.059 -0.199 0.000 0.890 361 L HN 0.542 nan 8.230 nan 0.000 0.435 362 D N -1.989 118.388 120.400 -0.037 0.000 2.325 362 D HA -0.008 4.632 4.640 -0.001 0.000 0.225 362 D C 0.594 176.934 176.300 0.066 0.000 1.096 362 D CA -0.056 53.900 54.000 -0.073 0.000 0.844 362 D CB -0.141 40.594 40.800 -0.109 0.000 0.925 362 D HN 0.507 nan 8.370 nan 0.000 0.513 363 Q N -0.184 119.692 119.800 0.127 0.000 2.169 363 Q HA 0.564 4.904 4.340 -0.001 0.000 0.234 363 Q C -1.044 175.013 176.000 0.095 0.000 0.980 363 Q CA -0.950 54.916 55.803 0.104 0.000 0.941 363 Q CB 2.913 31.675 28.738 0.040 0.000 1.199 363 Q HN 0.025 nan 8.270 nan 0.000 0.496 364 V N -0.044 119.814 119.914 -0.094 0.000 2.711 364 V HA 0.609 4.729 4.120 -0.001 0.000 0.304 364 V C -0.881 175.085 176.094 -0.214 0.000 1.097 364 V CA -0.410 61.685 62.300 -0.342 0.000 0.906 364 V CB 1.789 33.111 31.823 -0.835 0.000 1.015 364 V HN 0.806 nan 8.190 nan 0.000 0.427 365 G N 5.348 114.068 108.800 -0.133 0.000 2.349 365 G HA2 0.521 4.480 3.960 -0.001 0.000 0.281 365 G HA3 0.521 4.480 3.960 -0.001 0.000 0.281 365 G C -0.730 174.195 174.900 0.040 0.000 1.182 365 G CA -0.212 44.865 45.100 -0.039 0.000 0.899 365 G HN 0.929 nan 8.290 nan 0.000 0.455 366 V N 6.050 125.978 119.914 0.024 0.000 2.334 366 V HA 0.302 4.422 4.120 -0.001 0.000 0.281 366 V C -1.860 174.221 176.094 -0.021 0.000 1.016 366 V CA -1.820 60.545 62.300 0.108 0.000 0.832 366 V CB 1.783 33.638 31.823 0.052 0.000 0.999 366 V HN 0.666 nan 8.190 nan 0.000 0.439 367 P HA 0.033 nan 4.420 nan 0.000 0.264 367 P C 0.679 177.884 177.300 -0.157 0.000 1.193 367 P CA 0.077 63.096 63.100 -0.135 0.000 0.763 367 P CB 1.174 32.767 31.700 -0.177 0.000 0.810 368 K N 2.951 123.236 120.400 -0.191 0.000 2.107 368 K HA -0.247 4.073 4.320 -0.001 0.000 0.211 368 K C 2.087 178.575 176.600 -0.187 0.000 1.049 368 K CA 2.619 58.764 56.287 -0.237 0.000 0.927 368 K CB -0.409 31.974 32.500 -0.195 0.000 0.714 368 K HN 0.572 nan 8.250 nan 0.000 0.452 369 S N 0.061 115.673 115.700 -0.146 0.000 2.399 369 S HA -0.128 4.342 4.470 -0.001 0.000 0.231 369 S C 1.908 176.441 174.600 -0.112 0.000 1.022 369 S CA 1.240 59.369 58.200 -0.119 0.000 0.983 369 S CB -0.372 62.768 63.200 -0.100 0.000 0.803 369 S HN 0.345 nan 8.310 nan 0.000 0.480 370 I N 1.470 121.974 120.570 -0.110 0.000 2.852 370 I HA 0.086 4.256 4.170 -0.001 0.000 0.264 370 I C 2.882 178.976 176.117 -0.038 0.000 1.179 370 I CA 0.685 61.949 61.300 -0.060 0.000 1.480 370 I CB -0.419 37.551 38.000 -0.050 0.000 1.111 370 I HN 0.401 nan 8.210 nan 0.000 0.441 371 A N 1.075 123.840 122.820 -0.092 0.000 1.930 371 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 371 A C 2.165 179.671 177.584 -0.130 0.000 1.175 371 A CA 1.354 53.340 52.037 -0.084 0.000 0.627 371 A CB -0.333 18.529 19.000 -0.230 0.000 0.815 371 A HN 0.299 nan 8.150 nan 0.000 0.443 372 K N -0.563 119.667 120.400 -0.284 0.000 2.504 372 K HA -0.005 4.314 4.320 -0.001 0.000 0.195 372 K C 1.314 177.730 176.600 -0.307 0.000 1.036 372 K CA 1.309 57.199 56.287 -0.662 0.000 0.984 372 K CB -0.037 32.193 32.500 -0.451 0.000 0.788 372 K HN 0.493 nan 8.250 nan 0.000 0.488 373 T N 0.613 115.112 114.554 -0.091 0.000 3.033 373 T HA 0.142 4.492 4.350 -0.001 0.000 0.248 373 T C 0.609 175.387 174.700 0.130 0.000 1.040 373 T CA 0.231 62.347 62.100 0.027 0.000 1.133 373 T CB 0.223 69.103 68.868 0.020 0.000 0.895 373 T HN -0.002 nan 8.240 nan 0.000 0.465 374 L N 3.093 124.405 121.223 0.148 0.000 2.276 374 L HA 0.476 4.816 4.340 -0.001 0.000 0.286 374 L C 0.505 177.533 176.870 0.263 0.000 1.061 374 L CA -0.675 54.310 54.840 0.241 0.000 0.807 374 L CB 1.081 43.264 42.059 0.207 0.000 1.177 374 L HN 0.195 nan 8.230 nan 0.000 0.429 375 T N -0.690 114.043 114.554 0.298 0.000 2.942 375 T HA 0.526 4.876 4.350 -0.001 0.000 0.289 375 T C -1.072 173.678 174.700 0.084 0.000 1.044 375 T CA -0.711 61.524 62.100 0.225 0.000 1.023 375 T CB 1.934 70.947 68.868 0.241 0.000 1.123 375 T HN 0.362 nan 8.240 nan 0.000 0.512 376 Y N 2.663 122.950 120.300 -0.022 0.000 2.338 376 Y HA 0.514 5.063 4.550 -0.000 0.000 0.333 376 Y C -2.764 173.102 175.900 -0.057 0.000 0.968 376 Y CA -2.834 55.211 58.100 -0.092 0.000 1.123 376 Y CB 2.268 40.702 38.460 -0.043 0.000 1.165 376 Y HN 0.503 nan 8.280 nan 0.000 0.452 377 P HA 0.087 nan 4.420 nan 0.000 0.274 377 P C -0.995 175.882 177.300 -0.705 0.000 1.291 377 P CA 0.191 62.938 63.100 -0.589 0.000 0.815 377 P CB 0.870 32.310 31.700 -0.433 0.000 0.897 378 E N 3.441 123.469 120.200 -0.287 0.000 2.145 378 E HA 0.277 4.626 4.350 -0.001 0.000 0.270 378 E C -0.691 175.913 176.600 0.006 0.000 0.906 378 E CA -0.970 55.393 56.400 -0.062 0.000 0.761 378 E CB 1.310 31.093 29.700 0.139 0.000 1.116 378 E HN 0.096 nan 8.360 nan 0.000 0.408 379 V N 4.762 124.690 119.914 0.025 0.000 2.585 379 V HA -0.022 4.097 4.120 -0.001 0.000 0.296 379 V C 0.243 176.378 176.094 0.068 0.000 1.035 379 V CA -0.212 62.121 62.300 0.056 0.000 1.084 379 V CB 1.127 32.982 31.823 0.053 0.000 0.953 379 V HN 0.529 nan 8.190 nan 0.000 0.483 380 V N 5.437 125.408 119.914 0.096 0.000 2.529 380 V HA 0.247 4.367 4.120 -0.001 0.000 0.292 380 V C 0.525 176.598 176.094 -0.034 0.000 1.028 380 V CA 0.626 62.968 62.300 0.070 0.000 1.074 380 V CB 0.779 32.680 31.823 0.130 0.000 0.958 380 V HN 1.030 nan 8.190 nan 0.000 0.481 381 T N 6.303 120.766 114.554 -0.153 0.000 2.868 381 T HA 0.445 4.795 4.350 -0.001 0.000 0.306 381 T C -2.053 172.273 174.700 -0.623 0.000 1.224 381 T CA -1.065 60.773 62.100 -0.437 0.000 1.012 381 T CB 2.291 71.035 68.868 -0.207 0.000 1.221 381 T HN 0.435 nan 8.240 nan 0.000 0.499 382 P HA -0.050 nan 4.420 nan 0.000 0.222 382 P C 0.762 177.850 177.300 -0.353 0.000 1.147 382 P CA 1.212 63.900 63.100 -0.686 0.000 0.790 382 P CB -0.068 31.211 31.700 -0.700 0.000 0.780 383 Y N 1.280 121.487 120.300 -0.155 0.000 2.509 383 Y HA -0.038 4.512 4.550 -0.001 0.000 0.293 383 Y C 1.665 177.534 175.900 -0.053 0.000 1.133 383 Y CA 0.690 58.742 58.100 -0.080 0.000 1.283 383 Y CB -0.717 37.703 38.460 -0.066 0.000 1.001 383 Y HN 0.165 nan 8.280 nan 0.000 0.555 384 N N -1.686 117.041 118.700 0.044 0.000 2.307 384 N HA 0.013 4.752 4.740 -0.001 0.000 0.248 384 N C 0.682 176.205 175.510 0.022 0.000 1.322 384 N CA -0.003 53.074 53.050 0.045 0.000 0.861 384 N CB -0.767 37.761 38.487 0.069 0.000 1.303 384 N HN 0.149 nan 8.380 nan 0.000 0.498 385 I N 1.268 121.843 120.570 0.007 0.000 2.286 385 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 385 I C 0.975 177.110 176.117 0.031 0.000 1.115 385 I CA 1.357 62.681 61.300 0.039 0.000 1.392 385 I CB -0.312 37.746 38.000 0.097 0.000 1.065 385 I HN 0.139 nan 8.210 nan 0.000 0.418 386 D N -0.056 120.358 120.400 0.025 0.000 2.077 386 D HA -0.194 4.446 4.640 -0.001 0.000 0.196 386 D C 2.174 178.481 176.300 0.012 0.000 0.986 386 D CA 0.975 54.985 54.000 0.016 0.000 0.829 386 D CB -0.355 40.454 40.800 0.015 0.000 0.983 386 D HN 0.256 nan 8.370 nan 0.000 0.453 387 R N 0.723 121.232 120.500 0.015 0.000 2.096 387 R HA -0.144 4.196 4.340 -0.001 0.000 0.240 387 R C 2.534 178.837 176.300 0.004 0.000 1.139 387 R CA 1.117 57.221 56.100 0.008 0.000 0.952 387 R CB -0.412 29.897 30.300 0.015 0.000 0.854 387 R HN 0.147 nan 8.270 nan 0.000 0.436 388 L N -0.392 120.841 121.223 0.017 0.000 1.994 388 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 388 L C 2.548 179.426 176.870 0.013 0.000 1.071 388 L CA 1.897 56.748 54.840 0.020 0.000 0.745 388 L CB -0.747 41.338 42.059 0.043 0.000 0.892 388 L HN 0.302 nan 8.230 nan 0.000 0.431 389 T N -1.067 113.497 114.554 0.018 0.000 2.737 389 T HA -0.307 4.043 4.350 -0.001 0.000 0.269 389 T C 1.821 176.520 174.700 -0.001 0.000 1.040 389 T CA 1.837 63.945 62.100 0.012 0.000 1.142 389 T CB -0.145 68.727 68.868 0.007 0.000 0.861 389 T HN 0.237 nan 8.240 nan 0.000 0.456 390 Q N 0.604 120.400 119.800 -0.008 0.000 2.083 390 Q HA 0.077 4.417 4.340 -0.001 0.000 0.198 390 Q C 2.115 178.094 176.000 -0.035 0.000 0.969 390 Q CA 1.360 57.152 55.803 -0.018 0.000 0.838 390 Q CB -0.570 28.158 28.738 -0.017 0.000 0.900 390 Q HN 0.533 nan 8.270 nan 0.000 0.436 391 L N -0.685 120.510 121.223 -0.046 0.000 2.017 391 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 391 L C 2.284 179.100 176.870 -0.089 0.000 1.073 391 L CA 1.068 55.856 54.840 -0.086 0.000 0.745 391 L CB -0.730 41.270 42.059 -0.097 0.000 0.894 391 L HN 0.086 nan 8.230 nan 0.000 0.432 392 V N -0.116 119.766 119.914 -0.054 0.000 2.568 392 V HA -0.276 3.844 4.120 -0.001 0.000 0.253 392 V C 2.614 178.685 176.094 -0.039 0.000 1.072 392 V CA 1.680 63.955 62.300 -0.042 0.000 1.084 392 V CB -0.730 31.095 31.823 0.004 0.000 0.676 392 V HN 0.415 nan 8.190 nan 0.000 0.469 393 R N -0.040 120.442 120.500 -0.031 0.000 2.093 393 R HA -0.040 4.299 4.340 -0.001 0.000 0.224 393 R C 2.227 178.508 176.300 -0.031 0.000 1.101 393 R CA 1.147 57.233 56.100 -0.024 0.000 0.979 393 R CB -0.337 29.954 30.300 -0.016 0.000 0.877 393 R HN 0.559 nan 8.270 nan 0.000 0.441 394 N N 0.272 118.947 118.700 -0.041 0.000 2.223 394 N HA -0.085 4.654 4.740 -0.001 0.000 0.185 394 N C 1.132 176.622 175.510 -0.034 0.000 1.016 394 N CA 1.377 54.406 53.050 -0.035 0.000 0.863 394 N CB -0.105 38.355 38.487 -0.046 0.000 0.983 394 N HN 0.315 nan 8.380 nan 0.000 0.429 395 G N 0.662 109.423 108.800 -0.064 0.000 2.741 395 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.222 395 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.222 395 G C -2.018 172.856 174.900 -0.042 0.000 1.364 395 G CA -0.046 45.012 45.100 -0.069 0.000 0.866 395 G HN 0.111 nan 8.290 nan 0.000 0.555 396 P HA -0.020 nan 4.420 nan 0.000 0.230 396 P C 0.906 178.295 177.300 0.148 0.000 1.158 396 P CA 1.395 64.555 63.100 0.100 0.000 0.769 396 P CB -0.116 31.561 31.700 -0.039 0.000 0.807 397 N N -0.849 117.899 118.700 0.080 0.000 2.322 397 N HA 0.059 4.798 4.740 -0.001 0.000 0.181 397 N C 0.349 175.907 175.510 0.079 0.000 1.088 397 N CA -0.079 53.005 53.050 0.057 0.000 0.885 397 N CB 0.387 38.883 38.487 0.015 0.000 1.013 397 N HN 0.216 nan 8.380 nan 0.000 0.472 398 E N -0.434 119.832 120.200 0.111 0.000 2.191 398 E HA 0.075 4.425 4.350 -0.001 0.000 0.274 398 E C 0.068 176.786 176.600 0.197 0.000 0.948 398 E CA -0.467 55.996 56.400 0.104 0.000 0.802 398 E CB 1.551 31.281 29.700 0.050 0.000 1.137 398 E HN 0.168 nan 8.360 nan 0.000 0.397 399 H N 3.844 122.974 119.070 0.101 0.000 2.253 399 H HA -0.040 4.515 4.556 -0.001 0.000 0.296 399 H C -1.401 174.083 175.328 0.260 0.000 1.067 399 H CA 1.262 57.405 56.048 0.159 0.000 1.245 399 H CB -0.905 28.892 29.762 0.058 0.000 1.364 399 H HN 0.305 nan 8.280 nan 0.000 0.494 400 P HA 0.147 nan 4.420 nan 0.000 0.244 400 P C -0.425 176.729 177.300 -0.243 0.000 1.723 400 P CA 0.594 63.384 63.100 -0.517 0.000 1.110 400 P CB 0.122 31.636 31.700 -0.309 0.000 1.972 401 G N 0.660 109.312 108.800 -0.246 0.000 3.119 401 G HA2 0.843 4.802 3.960 -0.001 0.000 0.206 401 G HA3 0.843 4.802 3.960 -0.001 0.000 0.206 401 G C -1.328 173.084 174.900 -0.813 0.000 1.313 401 G CA -0.639 44.197 45.100 -0.439 0.000 1.010 401 G HN 0.365 nan 8.290 nan 0.000 0.578 402 A N -1.613 120.812 122.820 -0.660 0.000 2.606 402 A HA 0.726 5.046 4.320 -0.001 0.000 0.293 402 A C 0.113 177.567 177.584 -0.217 0.000 1.082 402 A CA -0.445 51.349 52.037 -0.404 0.000 0.685 402 A CB 1.629 20.525 19.000 -0.174 0.000 1.284 402 A HN 0.500 nan 8.150 nan 0.000 0.408 403 K N -0.880 119.485 120.400 -0.057 0.000 2.287 403 K HA 0.267 4.587 4.320 -0.001 0.000 0.199 403 K C -0.963 175.432 176.600 -0.342 0.000 1.061 403 K CA 0.990 57.213 56.287 -0.106 0.000 0.976 403 K CB 0.314 32.894 32.500 0.134 0.000 0.898 403 K HN 0.637 nan 8.250 nan 0.000 0.492 404 Y N -0.789 119.502 120.300 -0.015 0.000 2.571 404 Y HA 0.347 4.897 4.550 -0.001 0.000 0.341 404 Y C -0.789 175.096 175.900 -0.025 0.000 1.076 404 Y CA -1.178 56.910 58.100 -0.021 0.000 1.029 404 Y CB 1.884 40.336 38.460 -0.012 0.000 1.308 404 Y HN -0.420 nan 8.280 nan 0.000 0.461 405 V N 4.165 124.155 119.914 0.127 0.000 2.487 405 V HA 0.509 4.629 4.120 -0.001 0.000 0.298 405 V C -0.567 175.506 176.094 -0.034 0.000 1.028 405 V CA -0.743 61.595 62.300 0.062 0.000 0.860 405 V CB 1.584 33.452 31.823 0.074 0.000 0.991 405 V HN 0.543 nan 8.190 nan 0.000 0.427 406 I N 5.066 125.582 120.570 -0.091 0.000 2.404 406 I HA 0.570 4.739 4.170 -0.001 0.000 0.293 406 I C 0.184 176.016 176.117 -0.475 0.000 0.992 406 I CA -0.554 60.619 61.300 -0.212 0.000 1.149 406 I CB 1.790 39.716 38.000 -0.123 0.000 1.315 406 I HN 0.529 nan 8.210 nan 0.000 0.446 407 R N 3.335 123.397 120.500 -0.730 0.000 2.596 407 R HA 0.288 4.627 4.340 -0.001 0.000 0.267 407 R C 0.571 176.550 176.300 -0.536 0.000 1.026 407 R CA -0.738 54.599 56.100 -1.271 0.000 1.087 407 R CB 0.636 30.166 30.300 -1.284 0.000 1.132 407 R HN 0.498 nan 8.270 nan 0.000 0.531 408 D N 0.701 120.925 120.400 -0.293 0.000 2.370 408 D HA -0.272 4.368 4.640 -0.001 0.000 0.190 408 D C 1.450 177.727 176.300 -0.040 0.000 1.019 408 D CA 2.528 56.538 54.000 0.017 0.000 0.869 408 D CB -0.605 40.292 40.800 0.161 0.000 0.944 408 D HN 0.612 nan 8.370 nan 0.000 0.456 409 S N -0.596 115.065 115.700 -0.064 0.000 2.641 409 S HA 0.138 4.607 4.470 -0.001 0.000 0.239 409 S C 1.673 176.230 174.600 -0.073 0.000 0.972 409 S CA 0.998 59.166 58.200 -0.053 0.000 0.954 409 S CB -0.346 62.825 63.200 -0.048 0.000 0.767 409 S HN 0.557 nan 8.310 nan 0.000 0.539 410 G N 0.661 109.400 108.800 -0.101 0.000 2.155 410 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.257 410 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.257 410 G C -0.289 174.546 174.900 -0.109 0.000 0.983 410 G CA 0.161 45.204 45.100 -0.094 0.000 0.676 410 G HN 0.575 nan 8.290 nan 0.000 0.528 411 D N 0.149 120.464 120.400 -0.141 0.000 2.382 411 D HA 0.314 4.954 4.640 -0.001 0.000 0.245 411 D C 0.823 177.045 176.300 -0.129 0.000 1.120 411 D CA 0.204 54.128 54.000 -0.126 0.000 0.890 411 D CB 0.518 41.234 40.800 -0.141 0.000 1.201 411 D HN 0.256 nan 8.370 nan 0.000 0.433 412 R N 2.594 123.055 120.500 -0.064 0.000 2.239 412 R HA 0.386 4.725 4.340 -0.001 0.000 0.332 412 R C -0.309 176.038 176.300 0.078 0.000 0.988 412 R CA -0.552 55.545 56.100 -0.004 0.000 0.859 412 R CB 0.798 31.086 30.300 -0.020 0.000 1.148 412 R HN 0.346 nan 8.270 nan 0.000 0.482 413 I N 2.558 123.169 120.570 0.070 0.000 2.312 413 I HA 0.045 4.215 4.170 -0.001 0.000 0.291 413 I C 0.157 176.330 176.117 0.093 0.000 1.031 413 I CA -0.353 60.981 61.300 0.057 0.000 1.293 413 I CB 1.018 39.013 38.000 -0.009 0.000 1.403 413 I HN 0.361 nan 8.210 nan 0.000 0.484 414 D N 7.453 127.883 120.400 0.050 0.000 2.374 414 D HA 0.126 4.766 4.640 -0.001 0.000 0.240 414 D C 1.106 177.251 176.300 -0.258 0.000 1.229 414 D CA -0.076 53.806 54.000 -0.196 0.000 0.895 414 D CB 0.964 41.744 40.800 -0.033 0.000 1.046 414 D HN 0.467 nan 8.370 nan 0.000 0.498 415 L N 3.662 124.679 121.223 -0.342 0.000 2.349 415 L HA -0.185 4.155 4.340 -0.001 0.000 0.220 415 L C 2.382 179.095 176.870 -0.262 0.000 1.130 415 L CA 0.867 55.565 54.840 -0.236 0.000 0.791 415 L CB -0.339 41.596 42.059 -0.206 0.000 0.918 415 L HN 0.418 nan 8.230 nan 0.000 0.444 416 R N -0.306 119.937 120.500 -0.429 0.000 2.127 416 R HA -0.042 4.297 4.340 -0.001 0.000 0.217 416 R C -0.119 175.883 176.300 -0.497 0.000 1.074 416 R CA 0.524 56.302 56.100 -0.536 0.000 0.991 416 R CB -0.158 29.652 30.300 -0.816 0.000 0.895 416 R HN 0.214 nan 8.270 nan 0.000 0.450 417 Y N 0.521 120.784 120.300 -0.062 0.000 2.327 417 Y HA 0.495 5.045 4.550 -0.000 0.000 0.325 417 Y C -0.551 175.332 175.900 -0.029 0.000 0.999 417 Y CA -1.093 56.987 58.100 -0.032 0.000 1.195 417 Y CB 2.349 40.798 38.460 -0.018 0.000 1.132 417 Y HN 0.024 nan 8.280 nan 0.000 0.455 418 S N 2.751 118.512 115.700 0.103 0.000 2.523 418 S HA 0.043 4.513 4.470 -0.001 0.000 0.335 418 S C 0.172 174.795 174.600 0.038 0.000 0.817 418 S CA -0.995 57.240 58.200 0.058 0.000 0.800 418 S CB 0.342 63.557 63.200 0.025 0.000 1.106 418 S HN 0.848 nan 8.310 nan 0.000 0.490 419 K N 3.390 123.813 120.400 0.038 0.000 2.520 419 K HA -0.045 4.275 4.320 -0.001 0.000 0.197 419 K C 0.933 177.547 176.600 0.024 0.000 1.044 419 K CA 1.069 57.373 56.287 0.029 0.000 0.938 419 K CB -0.156 32.360 32.500 0.026 0.000 0.767 419 K HN 0.541 nan 8.250 nan 0.000 0.481 420 R N -0.383 120.131 120.500 0.024 0.000 2.543 420 R HA 0.252 4.592 4.340 -0.001 0.000 0.323 420 R C 1.647 177.959 176.300 0.019 0.000 1.002 420 R CA 0.334 56.449 56.100 0.024 0.000 1.106 420 R CB 0.623 30.943 30.300 0.033 0.000 1.280 420 R HN 0.211 nan 8.270 nan 0.000 0.549 421 A N 0.976 123.801 122.820 0.008 0.000 1.940 421 A HA -0.169 4.151 4.320 -0.001 0.000 0.221 421 A C 1.916 179.499 177.584 -0.003 0.000 1.190 421 A CA 2.096 54.128 52.037 -0.009 0.000 0.647 421 A CB -0.599 18.385 19.000 -0.026 0.000 0.821 421 A HN 0.419 nan 8.150 nan 0.000 0.457 422 G N -1.626 107.175 108.800 0.003 0.000 3.371 422 G HA2 0.325 4.285 3.960 -0.001 0.000 0.248 422 G HA3 0.325 4.285 3.960 -0.001 0.000 0.248 422 G C 0.070 174.977 174.900 0.011 0.000 1.161 422 G CA 0.881 45.983 45.100 0.004 0.000 0.796 422 G HN 0.504 nan 8.290 nan 0.000 0.539 423 D N 0.392 120.804 120.400 0.020 0.000 2.945 423 D HA 0.217 4.857 4.640 -0.001 0.000 0.369 423 D C -0.025 176.300 176.300 0.043 0.000 1.294 423 D CA -0.484 53.531 54.000 0.025 0.000 0.778 423 D CB -0.255 40.559 40.800 0.023 0.000 1.188 423 D HN 0.087 nan 8.370 nan 0.000 0.479 424 I N 0.672 121.273 120.570 0.052 0.000 2.441 424 I HA 0.342 4.512 4.170 -0.001 0.000 0.295 424 I C -0.051 176.111 176.117 0.075 0.000 0.994 424 I CA -0.848 60.509 61.300 0.095 0.000 1.144 424 I CB 2.072 40.147 38.000 0.125 0.000 1.314 424 I HN -0.031 nan 8.210 nan 0.000 0.445 425 Q N 6.328 126.174 119.800 0.077 0.000 2.456 425 Q HA 0.465 4.804 4.340 -0.001 0.000 0.252 425 Q C -0.871 175.024 176.000 -0.174 0.000 1.042 425 Q CA -0.545 55.236 55.803 -0.036 0.000 0.766 425 Q CB 1.705 30.401 28.738 -0.070 0.000 1.196 425 Q HN 0.530 nan 8.270 nan 0.000 0.504 426 L N 1.901 123.050 121.223 -0.124 0.000 2.499 426 L HA 0.008 4.348 4.340 -0.001 0.000 0.281 426 L C 0.490 177.018 176.870 -0.570 0.000 1.234 426 L CA 0.598 55.296 54.840 -0.238 0.000 0.839 426 L CB 0.089 42.142 42.059 -0.010 0.000 1.104 426 L HN 0.446 nan 8.230 nan 0.000 0.500 427 Q N 1.568 120.786 119.800 -0.969 0.000 2.397 427 Q HA 0.361 4.701 4.340 -0.001 0.000 0.275 427 Q C -1.228 174.544 176.000 -0.379 0.000 1.090 427 Q CA -0.809 54.477 55.803 -0.862 0.000 0.809 427 Q CB 2.377 30.327 28.738 -1.314 0.000 1.362 427 Q HN 0.430 nan 8.270 nan 0.000 0.431 428 Y N -0.003 120.109 120.300 -0.313 0.000 2.810 428 Y HA 0.010 4.560 4.550 -0.001 0.000 0.332 428 Y C 1.561 177.411 175.900 -0.083 0.000 1.243 428 Y CA 0.834 58.838 58.100 -0.160 0.000 1.537 428 Y CB 0.344 38.724 38.460 -0.134 0.000 1.265 428 Y HN 1.070 nan 8.280 nan 0.000 0.572 429 G N 1.741 110.639 108.800 0.164 0.000 2.234 429 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.235 429 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.235 429 G C -0.175 174.912 174.900 0.313 0.000 0.997 429 G CA -0.450 44.765 45.100 0.191 0.000 0.623 429 G HN 0.589 nan 8.290 nan 0.000 0.514 430 W N 1.119 122.449 121.300 0.050 0.000 2.030 430 W HA 0.724 5.384 4.660 -0.000 0.000 0.360 430 W C 0.806 177.334 176.519 0.015 0.000 1.370 430 W CA -0.421 56.941 57.345 0.030 0.000 1.433 430 W CB 0.335 29.815 29.460 0.034 0.000 1.204 430 W HN 0.033 nan 8.180 nan 0.000 0.649 431 K N 0.587 121.116 120.400 0.215 0.000 2.397 431 K HA 0.553 4.872 4.320 -0.001 0.000 0.253 431 K C -1.485 175.165 176.600 0.084 0.000 0.932 431 K CA -0.905 55.438 56.287 0.093 0.000 0.795 431 K CB 2.408 34.910 32.500 0.004 0.000 1.159 431 K HN 0.011 nan 8.250 nan 0.000 0.424 432 V N 2.534 122.486 119.914 0.064 0.000 2.409 432 V HA 0.178 4.298 4.120 -0.001 0.000 0.291 432 V C -0.349 175.756 176.094 0.018 0.000 1.020 432 V CA -0.752 61.584 62.300 0.060 0.000 0.848 432 V CB 1.470 33.333 31.823 0.066 0.000 0.990 432 V HN 0.726 nan 8.190 nan 0.000 0.430 433 E N 5.157 125.383 120.200 0.043 0.000 1.893 433 E HA 0.246 4.595 4.350 -0.001 0.000 0.269 433 E C 0.122 176.755 176.600 0.055 0.000 1.129 433 E CA -0.353 56.074 56.400 0.045 0.000 0.904 433 E CB 0.473 30.251 29.700 0.129 0.000 1.077 433 E HN 0.636 nan 8.360 nan 0.000 0.407 434 R N 1.540 122.064 120.500 0.039 0.000 2.549 434 R HA 0.382 4.722 4.340 -0.001 0.000 0.267 434 R C -0.221 176.155 176.300 0.127 0.000 1.045 434 R CA -0.656 55.446 56.100 0.003 0.000 1.115 434 R CB 0.708 31.018 30.300 0.018 0.000 1.121 434 R HN 0.392 nan 8.270 nan 0.000 0.543 435 H N 0.337 119.469 119.070 0.103 0.000 2.757 435 H HA 0.140 4.696 4.556 -0.001 0.000 0.370 435 H C 0.440 175.870 175.328 0.171 0.000 1.172 435 H CA -0.635 55.503 56.048 0.150 0.000 1.426 435 H CB 0.683 30.559 29.762 0.189 0.000 1.438 435 H HN 0.498 nan 8.280 nan 0.000 0.612 436 I N 0.196 120.952 120.570 0.310 0.000 2.588 436 I HA 0.192 4.362 4.170 -0.001 0.000 0.283 436 I C -0.235 176.037 176.117 0.258 0.000 1.119 436 I CA 0.080 61.505 61.300 0.209 0.000 1.419 436 I CB 0.519 38.598 38.000 0.132 0.000 1.394 436 I HN 0.362 nan 8.210 nan 0.000 0.562 437 M N 2.819 122.525 119.600 0.176 0.000 2.852 437 M HA 0.398 4.878 4.480 -0.001 0.000 0.301 437 M C -0.625 175.739 176.300 0.106 0.000 1.229 437 M CA -0.921 54.496 55.300 0.196 0.000 0.832 437 M CB 1.139 33.811 32.600 0.120 0.000 1.726 437 M HN 0.464 nan 8.290 nan 0.000 0.497 438 D N 2.056 122.519 120.400 0.105 0.000 2.531 438 D HA 0.052 4.692 4.640 -0.001 0.000 0.239 438 D C 0.154 176.468 176.300 0.022 0.000 1.144 438 D CA 1.207 55.237 54.000 0.051 0.000 0.869 438 D CB 0.100 40.930 40.800 0.050 0.000 1.160 438 D HN 0.594 nan 8.370 nan 0.000 0.484 439 N N 0.686 119.389 118.700 0.004 0.000 2.994 439 N HA -0.154 4.586 4.740 -0.001 0.000 0.221 439 N C -0.812 174.677 175.510 -0.035 0.000 0.900 439 N CA 0.478 53.520 53.050 -0.013 0.000 1.008 439 N CB -0.781 37.699 38.487 -0.012 0.000 1.053 439 N HN 0.456 nan 8.380 nan 0.000 0.580 440 D N 1.937 122.311 120.400 -0.042 0.000 2.399 440 D HA 0.189 4.829 4.640 -0.001 0.000 0.241 440 D C -1.987 174.271 176.300 -0.068 0.000 1.133 440 D CA -0.403 53.545 54.000 -0.088 0.000 0.890 440 D CB 0.515 41.258 40.800 -0.095 0.000 1.201 440 D HN 0.164 nan 8.370 nan 0.000 0.432 441 P HA 0.138 nan 4.420 nan 0.000 0.293 441 P C -0.681 176.607 177.300 -0.021 0.000 1.300 441 P CA -0.493 62.581 63.100 -0.042 0.000 0.792 441 P CB 1.177 32.847 31.700 -0.049 0.000 0.925 442 V N 1.732 121.656 119.914 0.016 0.000 2.914 442 V HA 0.536 4.656 4.120 -0.001 0.000 0.314 442 V C -0.530 175.631 176.094 0.112 0.000 1.084 442 V CA -1.385 60.939 62.300 0.041 0.000 0.963 442 V CB 2.093 33.910 31.823 -0.011 0.000 1.025 442 V HN 0.247 nan 8.190 nan 0.000 0.432 443 L N 3.182 124.498 121.223 0.155 0.000 2.265 443 L HA 0.628 4.968 4.340 -0.001 0.000 0.288 443 L C -0.827 176.223 176.870 0.300 0.000 1.058 443 L CA -0.140 54.837 54.840 0.228 0.000 0.809 443 L CB 0.716 42.900 42.059 0.208 0.000 1.179 443 L HN 0.726 nan 8.230 nan 0.000 0.429 444 F N 5.844 125.857 119.950 0.106 0.000 2.443 444 F HA 0.527 5.054 4.527 -0.001 0.000 0.335 444 F C -0.139 175.685 175.800 0.040 0.000 1.104 444 F CA -0.911 57.042 58.000 -0.078 0.000 1.013 444 F CB 1.169 39.979 39.000 -0.317 0.000 1.136 444 F HN 0.644 nan 8.300 nan 0.000 0.470 445 N N 4.726 123.183 118.700 -0.405 0.000 2.308 445 N HA 0.330 5.070 4.740 -0.001 0.000 0.283 445 N C -1.990 173.258 175.510 -0.437 0.000 1.105 445 N CA -0.628 52.276 53.050 -0.243 0.000 0.840 445 N CB 2.286 40.801 38.487 0.047 0.000 1.633 445 N HN 0.824 nan 8.380 nan 0.000 0.476 446 R N 2.775 123.107 120.500 -0.280 0.000 2.439 446 R HA 0.299 4.639 4.340 -0.001 0.000 0.310 446 R C -0.788 175.471 176.300 -0.068 0.000 0.955 446 R CA -0.377 55.584 56.100 -0.232 0.000 0.853 446 R CB 1.294 31.434 30.300 -0.267 0.000 1.171 446 R HN 0.579 nan 8.270 nan 0.000 0.449 447 Q N 4.045 123.808 119.800 -0.062 0.000 2.260 447 Q HA 0.333 4.672 4.340 -0.001 0.000 0.242 447 Q C -2.016 173.965 176.000 -0.033 0.000 0.932 447 Q CA -1.922 53.864 55.803 -0.029 0.000 0.891 447 Q CB 1.030 29.755 28.738 -0.020 0.000 1.222 447 Q HN 0.487 nan 8.270 nan 0.000 0.453 448 P HA 0.022 nan 4.420 nan 0.000 0.282 448 P C -1.037 176.256 177.300 -0.011 0.000 1.274 448 P CA -0.302 62.786 63.100 -0.020 0.000 0.770 448 P CB 0.805 32.489 31.700 -0.027 0.000 0.867 449 S N 3.306 119.007 115.700 0.001 0.000 2.485 449 S HA 0.295 4.765 4.470 -0.001 0.000 0.312 449 S C 0.627 175.234 174.600 0.011 0.000 1.102 449 S CA -0.667 57.547 58.200 0.023 0.000 1.066 449 S CB -0.474 62.746 63.200 0.035 0.000 1.102 449 S HN 0.347 nan 8.310 nan 0.000 0.519 450 L N 0.080 121.305 121.223 0.003 0.000 3.110 450 L HA 0.575 4.915 4.340 -0.001 0.000 0.266 450 L C 0.025 176.908 176.870 0.023 0.000 1.257 450 L CA -0.227 54.600 54.840 -0.021 0.000 1.038 450 L CB -0.933 41.084 42.059 -0.070 0.000 1.395 450 L HN 0.751 nan 8.230 nan 0.000 0.566 451 H N -0.175 118.858 119.070 -0.062 0.000 2.996 451 H HA 0.328 4.884 4.556 -0.001 0.000 0.368 451 H C 0.001 175.283 175.328 -0.077 0.000 1.185 451 H CA -0.675 55.324 56.048 -0.081 0.000 1.160 451 H CB 2.266 31.977 29.762 -0.085 0.000 1.820 451 H HN 0.116 nan 8.280 nan 0.000 0.547 452 K N 1.813 122.166 120.400 -0.077 0.000 2.155 452 K HA -0.021 4.299 4.320 -0.001 0.000 0.203 452 K C 1.142 177.645 176.600 -0.162 0.000 1.052 452 K CA 1.274 57.497 56.287 -0.105 0.000 0.948 452 K CB 0.094 32.519 32.500 -0.125 0.000 0.728 452 K HN 0.372 nan 8.250 nan 0.000 0.448 453 M N 1.724 121.127 119.600 -0.328 0.000 2.722 453 M HA 0.006 4.486 4.480 -0.001 0.000 0.238 453 M C 1.262 177.351 176.300 -0.353 0.000 1.098 453 M CA 0.697 55.766 55.300 -0.386 0.000 1.062 453 M CB -0.125 32.147 32.600 -0.547 0.000 1.573 453 M HN 0.241 nan 8.290 nan 0.000 0.531 454 S N -1.352 114.282 115.700 -0.111 0.000 2.540 454 S HA 0.305 4.774 4.470 -0.001 0.000 0.218 454 S C 0.740 175.484 174.600 0.240 0.000 0.977 454 S CA -0.298 57.946 58.200 0.073 0.000 0.918 454 S CB 0.085 63.378 63.200 0.155 0.000 0.806 454 S HN 0.466 nan 8.310 nan 0.000 0.496 455 M N 2.306 121.975 119.600 0.115 0.000 1.960 455 M HA 0.465 4.944 4.480 -0.001 0.000 0.271 455 M C -1.226 175.148 176.300 0.123 0.000 0.862 455 M CA 0.128 55.527 55.300 0.164 0.000 0.854 455 M CB 1.374 34.023 32.600 0.083 0.000 1.575 455 M HN 0.258 nan 8.290 nan 0.000 0.375 456 M N 1.045 120.781 119.600 0.226 0.000 2.762 456 M HA 0.775 5.255 4.480 -0.001 0.000 0.306 456 M C 0.064 176.497 176.300 0.221 0.000 1.223 456 M CA -0.820 54.550 55.300 0.117 0.000 0.896 456 M CB 2.040 34.623 32.600 -0.029 0.000 1.684 456 M HN 0.514 nan 8.290 nan 0.000 0.491 457 A N 0.687 123.548 122.820 0.069 0.000 2.290 457 A HA 0.616 4.935 4.320 -0.001 0.000 0.310 457 A C -0.951 176.638 177.584 0.008 0.000 1.202 457 A CA -0.493 51.602 52.037 0.097 0.000 0.837 457 A CB 0.273 19.288 19.000 0.025 0.000 1.139 457 A HN 0.875 nan 8.150 nan 0.000 0.509 458 H N 1.030 120.113 119.070 0.022 0.000 2.797 458 H HA 0.436 4.992 4.556 -0.001 0.000 0.362 458 H C -0.567 174.729 175.328 -0.054 0.000 1.183 458 H CA -0.858 55.178 56.048 -0.021 0.000 1.197 458 H CB 1.668 31.393 29.762 -0.062 0.000 1.835 458 H HN 0.666 nan 8.280 nan 0.000 0.567 459 R N 0.902 121.446 120.500 0.073 0.000 2.312 459 R HA 0.293 4.633 4.340 -0.001 0.000 0.311 459 R C -0.528 175.768 176.300 -0.006 0.000 1.004 459 R CA -0.656 55.452 56.100 0.014 0.000 0.902 459 R CB 1.366 31.668 30.300 0.003 0.000 1.073 459 R HN 0.214 nan 8.270 nan 0.000 0.457 460 V N 3.759 123.657 119.914 -0.027 0.000 2.637 460 V HA 0.067 4.187 4.120 -0.001 0.000 0.296 460 V C 0.459 176.538 176.094 -0.025 0.000 1.046 460 V CA 0.291 62.564 62.300 -0.044 0.000 1.066 460 V CB 0.875 32.681 31.823 -0.028 0.000 0.968 460 V HN 0.529 nan 8.190 nan 0.000 0.483 461 K N 4.043 124.420 120.400 -0.038 0.000 2.621 461 K HA 0.352 4.671 4.320 -0.001 0.000 0.233 461 K C -1.111 175.466 176.600 -0.039 0.000 0.972 461 K CA -0.491 55.783 56.287 -0.022 0.000 0.988 461 K CB 1.603 34.093 32.500 -0.017 0.000 1.187 461 K HN 0.461 nan 8.250 nan 0.000 0.471 462 V N 6.308 126.192 119.914 -0.049 0.000 2.529 462 V HA 0.182 4.302 4.120 -0.001 0.000 0.292 462 V C 0.778 176.814 176.094 -0.096 0.000 1.028 462 V CA 0.032 62.259 62.300 -0.122 0.000 1.074 462 V CB -0.048 31.622 31.823 -0.255 0.000 0.958 462 V HN 0.560 nan 8.190 nan 0.000 0.481 463 I N 3.815 124.322 120.570 -0.105 0.000 3.145 463 I HA 0.647 4.817 4.170 -0.001 0.000 0.313 463 I C -2.129 173.901 176.117 -0.145 0.000 1.122 463 I CA -2.433 58.813 61.300 -0.089 0.000 0.987 463 I CB 1.943 39.919 38.000 -0.039 0.000 1.236 463 I HN 0.291 nan 8.210 nan 0.000 0.453 464 P HA -0.071 nan 4.420 nan 0.000 0.206 464 P C 0.065 177.142 177.300 -0.372 0.000 1.085 464 P CA 0.825 63.693 63.100 -0.386 0.000 0.746 464 P CB -0.301 30.994 31.700 -0.673 0.000 0.586 465 Y N 0.423 120.686 120.300 -0.061 0.000 3.103 465 Y HA -0.100 4.450 4.550 -0.001 0.000 0.349 465 Y C 1.923 177.765 175.900 -0.098 0.000 1.277 465 Y CA -0.050 58.008 58.100 -0.071 0.000 1.493 465 Y CB -1.134 37.289 38.460 -0.062 0.000 1.290 465 Y HN 0.171 nan 8.280 nan 0.000 0.651 466 S N 0.183 115.909 115.700 0.043 0.000 2.606 466 S HA 0.491 4.960 4.470 -0.001 0.000 0.257 466 S C 0.086 174.634 174.600 -0.086 0.000 1.327 466 S CA -0.382 57.775 58.200 -0.072 0.000 0.984 466 S CB 1.153 64.304 63.200 -0.081 0.000 0.941 466 S HN 1.585 nan 8.310 nan 0.000 0.576 467 T N -2.431 111.997 114.554 -0.210 0.000 0.541 467 T HA -0.149 4.201 4.350 -0.001 0.000 0.774 467 T C -0.624 173.967 174.700 -0.182 0.000 0.992 467 T CA -0.592 61.384 62.100 -0.208 0.000 4.077 467 T CB -2.421 66.407 68.868 -0.068 0.000 2.303 467 T HN 0.620 nan 8.240 nan 0.000 0.398 468 F N 2.607 122.557 119.950 -0.000 0.000 2.389 468 F HA 0.662 5.189 4.527 -0.001 0.000 0.337 468 F C 1.718 177.498 175.800 -0.034 0.000 1.112 468 F CA -0.957 57.016 58.000 -0.045 0.000 1.192 468 F CB 1.166 40.175 39.000 0.015 0.000 1.185 468 F HN 0.536 nan 8.300 nan 0.000 0.552 469 R N 3.181 123.754 120.500 0.122 0.000 2.599 469 R HA 0.706 5.045 4.340 -0.001 0.000 0.295 469 R C -1.400 174.916 176.300 0.027 0.000 0.963 469 R CA -0.934 55.188 56.100 0.037 0.000 0.883 469 R CB 2.189 32.484 30.300 -0.007 0.000 1.171 469 R HN 0.571 nan 8.270 nan 0.000 0.450 470 L N 1.347 122.622 121.223 0.087 0.000 2.354 470 L HA 0.409 4.749 4.340 -0.001 0.000 0.264 470 L C -0.082 176.878 176.870 0.149 0.000 1.008 470 L CA -1.157 53.779 54.840 0.161 0.000 0.819 470 L CB 2.030 44.285 42.059 0.328 0.000 1.339 470 L HN 0.573 nan 8.230 nan 0.000 0.420 471 N N 1.326 120.116 118.700 0.151 0.000 2.492 471 N HA 0.067 4.807 4.740 -0.001 0.000 0.260 471 N C 0.734 176.344 175.510 0.166 0.000 1.215 471 N CA 0.041 53.163 53.050 0.121 0.000 0.923 471 N CB 1.387 39.925 38.487 0.086 0.000 1.092 471 N HN 0.576 nan 8.380 nan 0.000 0.448 472 L N 2.328 123.644 121.223 0.155 0.000 2.079 472 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 472 L C 2.233 179.195 176.870 0.153 0.000 1.081 472 L CA 1.159 56.116 54.840 0.195 0.000 0.752 472 L CB -0.241 41.919 42.059 0.168 0.000 0.896 472 L HN 0.555 nan 8.230 nan 0.000 0.433 473 S N -1.685 114.077 115.700 0.103 0.000 2.603 473 S HA -0.043 4.427 4.470 -0.001 0.000 0.229 473 S C 1.457 176.034 174.600 -0.039 0.000 0.972 473 S CA 0.379 58.607 58.200 0.047 0.000 0.935 473 S CB 0.118 63.342 63.200 0.041 0.000 0.769 473 S HN 0.221 nan 8.310 nan 0.000 0.536 474 V N 0.835 120.772 119.914 0.038 0.000 3.542 474 V HA 0.054 4.174 4.120 -0.001 0.000 0.296 474 V C 1.848 178.055 176.094 0.189 0.000 1.364 474 V CA 0.737 63.080 62.300 0.072 0.000 1.118 474 V CB -0.250 31.705 31.823 0.220 0.000 0.972 474 V HN 0.399 nan 8.190 nan 0.000 0.430 475 T N 0.595 115.239 114.554 0.150 0.000 2.737 475 T HA -0.153 4.197 4.350 -0.001 0.000 0.265 475 T C 2.083 176.825 174.700 0.071 0.000 1.038 475 T CA 2.158 64.329 62.100 0.119 0.000 1.144 475 T CB -0.083 68.821 68.868 0.060 0.000 0.866 475 T HN 0.775 nan 8.240 nan 0.000 0.434 476 S N 1.821 117.542 115.700 0.036 0.000 2.368 476 S HA -0.018 4.451 4.470 -0.001 0.000 0.224 476 S C -0.421 174.189 174.600 0.017 0.000 1.029 476 S CA 0.700 58.912 58.200 0.020 0.000 0.988 476 S CB -1.679 61.532 63.200 0.019 0.000 0.838 476 S HN 0.468 nan 8.310 nan 0.000 0.462 477 P HA -0.082 nan 4.420 nan 0.000 0.222 477 P C 0.545 177.787 177.300 -0.096 0.000 1.147 477 P CA 1.125 64.160 63.100 -0.108 0.000 0.790 477 P CB -0.283 31.241 31.700 -0.293 0.000 0.780 478 Y N -1.133 119.173 120.300 0.011 0.000 2.478 478 Y HA 0.162 4.711 4.550 -0.001 0.000 0.261 478 Y C 0.924 176.794 175.900 -0.049 0.000 1.127 478 Y CA -0.211 57.874 58.100 -0.025 0.000 1.288 478 Y CB -0.359 38.064 38.460 -0.062 0.000 1.084 478 Y HN -0.067 nan 8.280 nan 0.000 0.530 479 N N 0.236 118.991 118.700 0.091 0.000 2.738 479 N HA -0.187 4.552 4.740 -0.001 0.000 0.249 479 N C -0.885 174.607 175.510 -0.031 0.000 1.047 479 N CA 0.156 53.211 53.050 0.009 0.000 0.707 479 N CB -0.670 37.810 38.487 -0.012 0.000 0.937 479 N HN 0.324 nan 8.380 nan 0.000 0.545 480 A N 0.494 123.279 122.820 -0.057 0.000 2.356 480 A HA 0.703 5.023 4.320 -0.001 0.000 0.323 480 A C -0.279 177.096 177.584 -0.349 0.000 1.119 480 A CA -0.064 51.866 52.037 -0.179 0.000 0.790 480 A CB 1.160 20.049 19.000 -0.186 0.000 1.273 480 A HN 0.513 nan 8.150 nan 0.000 0.452 481 D N -1.397 118.730 120.400 -0.455 0.000 2.781 481 D HA 0.532 5.172 4.640 -0.001 0.000 0.295 481 D C -0.920 174.926 176.300 -0.755 0.000 1.143 481 D CA -0.510 53.120 54.000 -0.617 0.000 1.076 481 D CB 0.372 41.019 40.800 -0.255 0.000 1.444 481 D HN 0.248 nan 8.370 nan 0.000 0.567 482 F N -0.266 119.691 119.950 0.013 0.000 2.881 482 F HA 0.209 4.735 4.527 -0.001 0.000 0.343 482 F C 0.288 176.089 175.800 0.001 0.000 1.233 482 F CA -0.750 57.256 58.000 0.010 0.000 1.262 482 F CB 0.551 39.560 39.000 0.015 0.000 0.980 482 F HN 0.168 nan 8.300 nan 0.000 0.506 483 D N -0.562 119.890 120.400 0.088 0.000 2.491 483 D HA 0.316 4.956 4.640 -0.001 0.000 0.228 483 D C 1.503 177.826 176.300 0.039 0.000 1.183 483 D CA 0.085 54.119 54.000 0.056 0.000 0.827 483 D CB 0.445 41.256 40.800 0.020 0.000 0.989 483 D HN 0.418 nan 8.370 nan 0.000 0.494 484 G N 0.073 108.909 108.800 0.060 0.000 2.227 484 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.168 484 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.168 484 G C -0.348 174.570 174.900 0.031 0.000 1.006 484 G CA -0.475 44.649 45.100 0.039 0.000 0.684 484 G HN 0.322 nan 8.290 nan 0.000 0.489 485 D N 1.314 121.727 120.400 0.022 0.000 2.478 485 D HA 0.428 5.067 4.640 -0.001 0.000 0.234 485 D C 0.586 176.902 176.300 0.026 0.000 1.154 485 D CA 0.831 54.828 54.000 -0.005 0.000 0.874 485 D CB 0.663 41.429 40.800 -0.056 0.000 1.198 485 D HN 0.505 nan 8.370 nan 0.000 0.455 486 E N 0.688 120.889 120.200 0.002 0.000 2.238 486 E HA 0.520 4.870 4.350 -0.001 0.000 0.267 486 E C -0.399 176.189 176.600 -0.020 0.000 0.887 486 E CA -0.710 55.706 56.400 0.027 0.000 0.769 486 E CB 1.878 31.591 29.700 0.021 0.000 1.187 486 E HN 0.298 nan 8.360 nan 0.000 0.416 487 M N 1.536 121.149 119.600 0.022 0.000 2.658 487 M HA 0.437 4.917 4.480 -0.001 0.000 0.295 487 M C -0.882 175.399 176.300 -0.032 0.000 1.248 487 M CA -1.109 54.087 55.300 -0.172 0.000 0.843 487 M CB 1.951 34.182 32.600 -0.614 0.000 1.749 487 M HN 0.324 nan 8.290 nan 0.000 0.464 488 N N 1.932 120.516 118.700 -0.192 0.000 2.405 488 N HA 0.634 5.374 4.740 -0.001 0.000 0.299 488 N C -1.561 173.842 175.510 -0.178 0.000 1.075 488 N CA -0.493 52.475 53.050 -0.138 0.000 0.884 488 N CB 2.447 40.830 38.487 -0.172 0.000 1.194 488 N HN 0.614 nan 8.380 nan 0.000 0.491 489 L N 2.114 123.215 121.223 -0.203 0.000 2.349 489 L HA 0.422 4.761 4.340 -0.001 0.000 0.278 489 L C -1.047 175.669 176.870 -0.258 0.000 0.996 489 L CA -0.620 54.123 54.840 -0.162 0.000 0.825 489 L CB 0.911 42.761 42.059 -0.348 0.000 1.243 489 L HN 0.488 nan 8.230 nan 0.000 0.412 490 H N 4.340 123.463 119.070 0.087 0.000 2.469 490 H HA 0.393 4.949 4.556 -0.001 0.000 0.342 490 H C -0.864 174.523 175.328 0.098 0.000 1.115 490 H CA -0.650 55.462 56.048 0.107 0.000 1.204 490 H CB 2.511 32.330 29.762 0.095 0.000 1.492 490 H HN 0.332 nan 8.280 nan 0.000 0.499 491 V N 6.048 126.105 119.914 0.239 0.000 2.333 491 V HA 0.143 4.262 4.120 -0.001 0.000 0.274 491 V C -1.866 174.302 176.094 0.123 0.000 1.028 491 V CA -1.632 60.759 62.300 0.153 0.000 0.851 491 V CB 1.114 33.023 31.823 0.143 0.000 1.000 491 V HN 0.621 nan 8.190 nan 0.000 0.456 492 P HA 0.038 nan 4.420 nan 0.000 0.265 492 P C -0.251 177.108 177.300 0.099 0.000 1.193 492 P CA 0.068 63.211 63.100 0.072 0.000 0.765 492 P CB 1.263 32.983 31.700 0.035 0.000 0.823 493 Q N 1.090 120.933 119.800 0.072 0.000 2.319 493 Q HA 0.082 4.421 4.340 -0.001 0.000 0.209 493 Q C 0.766 176.822 176.000 0.092 0.000 0.884 493 Q CA 0.277 56.091 55.803 0.019 0.000 0.938 493 Q CB 0.204 28.857 28.738 -0.141 0.000 1.098 493 Q HN 0.647 nan 8.270 nan 0.000 0.517 494 S N -2.238 113.555 115.700 0.155 0.000 2.745 494 S HA 0.454 4.924 4.470 -0.001 0.000 0.306 494 S C 0.636 175.352 174.600 0.192 0.000 1.137 494 S CA -0.638 57.646 58.200 0.139 0.000 0.900 494 S CB 1.326 64.561 63.200 0.058 0.000 1.176 494 S HN -0.059 nan 8.310 nan 0.000 0.520 495 E N 0.553 120.841 120.200 0.145 0.000 2.076 495 E HA 0.020 4.369 4.350 -0.001 0.000 0.190 495 E C 1.590 178.224 176.600 0.057 0.000 0.979 495 E CA 1.553 58.021 56.400 0.113 0.000 0.807 495 E CB -0.347 29.413 29.700 0.100 0.000 0.761 495 E HN 0.766 nan 8.360 nan 0.000 0.454 496 E N -0.831 119.398 120.200 0.048 0.000 2.150 496 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 496 E C 1.938 178.553 176.600 0.025 0.000 0.985 496 E CA 1.437 57.856 56.400 0.032 0.000 0.814 496 E CB -0.260 29.455 29.700 0.026 0.000 0.752 496 E HN 0.092 nan 8.360 nan 0.000 0.466 497 T N 0.031 114.605 114.554 0.033 0.000 2.904 497 T HA -0.037 4.313 4.350 -0.001 0.000 0.267 497 T C 1.732 176.441 174.700 0.016 0.000 1.059 497 T CA 0.811 62.927 62.100 0.027 0.000 1.137 497 T CB -0.016 68.876 68.868 0.039 0.000 0.879 497 T HN 0.059 nan 8.240 nan 0.000 0.467 498 R N 0.607 121.112 120.500 0.008 0.000 2.073 498 R HA 0.019 4.358 4.340 -0.001 0.000 0.234 498 R C 2.731 179.017 176.300 -0.024 0.000 1.134 498 R CA 1.334 57.414 56.100 -0.034 0.000 0.952 498 R CB -0.404 29.846 30.300 -0.083 0.000 0.850 498 R HN 0.322 nan 8.270 nan 0.000 0.433 499 A N 0.818 123.632 122.820 -0.010 0.000 1.908 499 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 499 A C 1.961 179.544 177.584 -0.001 0.000 1.181 499 A CA 1.596 53.629 52.037 -0.005 0.000 0.627 499 A CB -0.446 18.558 19.000 0.007 0.000 0.818 499 A HN 0.382 nan 8.150 nan 0.000 0.445 500 E N -0.303 119.900 120.200 0.004 0.000 2.085 500 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 500 E C 1.967 178.565 176.600 -0.004 0.000 0.994 500 E CA 1.206 57.608 56.400 0.004 0.000 0.801 500 E CB -0.190 29.512 29.700 0.003 0.000 0.743 500 E HN 0.655 nan 8.360 nan 0.000 0.453 501 L N 0.328 121.549 121.223 -0.004 0.000 2.027 501 L HA -0.149 4.191 4.340 -0.001 0.000 0.206 501 L C 2.633 179.494 176.870 -0.015 0.000 1.074 501 L CA 1.483 56.320 54.840 -0.004 0.000 0.745 501 L CB -0.587 41.476 42.059 0.006 0.000 0.898 501 L HN 0.228 nan 8.230 nan 0.000 0.433 502 S N -1.693 113.995 115.700 -0.020 0.000 2.522 502 S HA -0.097 4.373 4.470 -0.001 0.000 0.227 502 S C 1.729 176.314 174.600 -0.026 0.000 0.986 502 S CA 0.374 58.557 58.200 -0.028 0.000 0.929 502 S CB 0.077 63.258 63.200 -0.031 0.000 0.769 502 S HN 0.286 nan 8.310 nan 0.000 0.529 503 Q N -0.536 119.254 119.800 -0.017 0.000 2.281 503 Q HA 0.492 4.832 4.340 -0.001 0.000 0.215 503 Q C 0.819 176.810 176.000 -0.015 0.000 0.867 503 Q CA 0.233 56.029 55.803 -0.011 0.000 0.940 503 Q CB 0.526 29.265 28.738 0.002 0.000 1.111 503 Q HN 0.437 nan 8.270 nan 0.000 0.513 504 L N -2.610 118.599 121.223 -0.023 0.000 2.860 504 L HA 0.123 4.463 4.340 -0.001 0.000 0.251 504 L C 1.180 178.021 176.870 -0.048 0.000 1.041 504 L CA 0.718 55.539 54.840 -0.033 0.000 0.985 504 L CB 0.003 42.048 42.059 -0.024 0.000 1.656 504 L HN 0.087 nan 8.230 nan 0.000 0.526 505 C N 0.035 119.310 119.300 -0.042 0.000 2.674 505 C HA 0.566 5.026 4.460 -0.001 0.000 0.276 505 C C 1.467 176.414 174.990 -0.071 0.000 1.300 505 C CA -0.686 58.302 59.018 -0.049 0.000 1.732 505 C CB -0.699 27.030 27.740 -0.020 0.000 2.076 505 C HN 0.383 nan 8.230 nan 0.000 0.548 506 A N 1.429 124.206 122.820 -0.071 0.000 2.598 506 A HA 0.206 4.526 4.320 -0.001 0.000 0.239 506 A C 1.473 178.966 177.584 -0.152 0.000 1.032 506 A CA 0.487 52.461 52.037 -0.105 0.000 0.760 506 A CB 0.210 19.162 19.000 -0.081 0.000 0.946 506 A HN 0.328 nan 8.150 nan 0.000 0.512 507 V N 4.233 124.004 119.914 -0.238 0.000 2.277 507 V HA -0.248 3.871 4.120 -0.001 0.000 0.253 507 V C -0.186 175.790 176.094 -0.197 0.000 1.067 507 V CA 2.842 64.980 62.300 -0.271 0.000 1.047 507 V CB -1.601 29.991 31.823 -0.384 0.000 0.649 507 V HN 0.842 nan 8.190 nan 0.000 0.447 508 P HA -0.128 nan 4.420 nan 0.000 0.216 508 P C 1.630 178.877 177.300 -0.088 0.000 1.150 508 P CA 1.301 64.341 63.100 -0.099 0.000 0.837 508 P CB -0.116 31.547 31.700 -0.062 0.000 0.786 509 L N -1.009 120.159 121.223 -0.091 0.000 2.622 509 L HA -0.053 4.287 4.340 -0.001 0.000 0.233 509 L C 1.626 178.432 176.870 -0.107 0.000 1.156 509 L CA 0.806 55.596 54.840 -0.083 0.000 0.866 509 L CB -0.561 41.455 42.059 -0.071 0.000 0.980 509 L HN 0.026 nan 8.230 nan 0.000 0.448 510 Q N -0.966 118.754 119.800 -0.133 0.000 2.189 510 Q HA 0.226 4.566 4.340 -0.001 0.000 0.223 510 Q C 2.036 177.940 176.000 -0.160 0.000 0.828 510 Q CA 0.091 55.799 55.803 -0.158 0.000 0.967 510 Q CB 0.846 29.467 28.738 -0.195 0.000 1.139 510 Q HN 0.511 nan 8.270 nan 0.000 0.497 511 I N 0.490 120.982 120.570 -0.131 0.000 2.118 511 I HA -0.186 3.983 4.170 -0.001 0.000 0.241 511 I C 0.757 176.806 176.117 -0.114 0.000 1.070 511 I CA 1.125 62.366 61.300 -0.097 0.000 1.327 511 I CB 0.072 38.067 38.000 -0.009 0.000 1.034 511 I HN -0.132 nan 8.210 nan 0.000 0.405 512 V N 2.286 122.110 119.914 -0.150 0.000 2.368 512 V HA 0.139 4.259 4.120 -0.001 0.000 0.266 512 V C 0.321 176.318 176.094 -0.162 0.000 1.045 512 V CA -0.367 61.806 62.300 -0.210 0.000 0.899 512 V CB 0.649 32.303 31.823 -0.282 0.000 1.006 512 V HN 0.369 nan 8.190 nan 0.000 0.470 513 S N 6.833 122.456 115.700 -0.127 0.000 2.608 513 S HA 0.561 5.031 4.470 -0.001 0.000 0.291 513 S C -1.517 173.066 174.600 -0.027 0.000 1.146 513 S CA -1.486 56.655 58.200 -0.099 0.000 1.043 513 S CB 2.133 65.255 63.200 -0.130 0.000 1.037 513 S HN 0.523 nan 8.310 nan 0.000 0.520 514 P HA -0.039 nan 4.420 nan 0.000 0.240 514 P C 1.151 178.578 177.300 0.211 0.000 1.190 514 P CA 0.551 63.726 63.100 0.126 0.000 0.781 514 P CB -0.025 31.766 31.700 0.153 0.000 0.931 515 Q N 0.229 120.053 119.800 0.040 0.000 2.167 515 Q HA -0.021 4.319 4.340 -0.001 0.000 0.202 515 Q C 1.057 177.096 176.000 0.065 0.000 0.970 515 Q CA 1.638 57.422 55.803 -0.031 0.000 0.855 515 Q CB -0.500 28.193 28.738 -0.076 0.000 0.911 515 Q HN -0.021 nan 8.270 nan 0.000 0.438 516 S N 0.877 116.635 115.700 0.098 0.000 3.031 516 S HA 0.125 4.595 4.470 -0.001 0.000 0.253 516 S C -0.767 174.010 174.600 0.295 0.000 0.996 516 S CA -0.119 58.177 58.200 0.160 0.000 1.098 516 S CB 0.143 63.470 63.200 0.211 0.000 1.042 516 S HN 0.751 nan 8.310 nan 0.000 0.593 517 N N 2.493 121.321 118.700 0.213 0.000 2.707 517 N HA -0.294 4.446 4.740 -0.001 0.000 0.253 517 N C -0.492 175.132 175.510 0.190 0.000 0.998 517 N CA 1.399 54.567 53.050 0.197 0.000 0.751 517 N CB -1.668 36.963 38.487 0.241 0.000 0.920 517 N HN 0.706 nan 8.380 nan 0.000 0.539 518 K N -4.019 116.432 120.400 0.085 0.000 2.615 518 K HA 0.577 4.897 4.320 -0.001 0.000 0.291 518 K C -3.398 173.137 176.600 -0.108 0.000 1.017 518 K CA -2.082 54.208 56.287 0.005 0.000 0.882 518 K CB 1.580 34.151 32.500 0.118 0.000 1.522 518 K HN -0.115 nan 8.250 nan 0.000 0.412 519 P HA 0.004 nan 4.420 nan 0.000 0.269 519 P C 0.566 177.845 177.300 -0.035 0.000 1.209 519 P CA -0.375 62.658 63.100 -0.111 0.000 0.776 519 P CB 0.553 32.213 31.700 -0.068 0.000 0.876 520 C N 0.686 119.959 119.300 -0.045 0.000 3.183 520 C HA 0.510 4.970 4.460 -0.001 0.000 0.285 520 C C 0.515 175.491 174.990 -0.023 0.000 1.313 520 C CA -0.465 58.532 59.018 -0.035 0.000 1.711 520 C CB -1.149 26.537 27.740 -0.090 0.000 2.135 520 C HN 0.374 nan 8.230 nan 0.000 0.651 521 M N 1.562 121.169 119.600 0.012 0.000 2.327 521 M HA 0.637 5.117 4.480 -0.001 0.000 0.298 521 M C -0.011 176.451 176.300 0.270 0.000 1.065 521 M CA 0.227 55.556 55.300 0.048 0.000 0.916 521 M CB 2.224 34.747 32.600 -0.128 0.000 1.630 521 M HN 0.442 nan 8.290 nan 0.000 0.442 522 G N 2.292 111.267 108.800 0.293 0.000 2.727 522 G HA2 0.743 4.703 3.960 -0.001 0.000 0.289 522 G HA3 0.743 4.703 3.960 -0.001 0.000 0.289 522 G C -1.416 173.673 174.900 0.314 0.000 1.418 522 G CA -0.806 44.491 45.100 0.328 0.000 0.818 522 G HN 0.637 nan 8.290 nan 0.000 0.486 523 I N 0.701 121.366 120.570 0.157 0.000 2.441 523 I HA 0.366 4.535 4.170 -0.001 0.000 0.287 523 I C 0.077 176.241 176.117 0.078 0.000 1.049 523 I CA -0.151 61.219 61.300 0.117 0.000 1.381 523 I CB 1.178 39.189 38.000 0.017 0.000 1.409 523 I HN 0.073 nan 8.210 nan 0.000 0.523 524 V N 5.074 125.038 119.914 0.083 0.000 3.164 524 V HA 0.387 4.507 4.120 -0.001 0.000 0.313 524 V C 0.456 176.575 176.094 0.042 0.000 1.188 524 V CA -0.677 61.657 62.300 0.058 0.000 1.058 524 V CB 1.445 33.310 31.823 0.071 0.000 1.110 524 V HN 0.885 nan 8.190 nan 0.000 0.453 525 Q N 0.002 119.822 119.800 0.032 0.000 2.390 525 Q HA -0.376 3.964 4.340 -0.001 0.000 0.453 525 Q C 1.309 177.308 176.000 -0.003 0.000 0.629 525 Q CA 2.375 58.191 55.803 0.023 0.000 0.939 525 Q CB -1.047 27.722 28.738 0.052 0.000 2.758 525 Q HN 0.964 nan 8.270 nan 0.000 0.985 526 D N -0.246 120.161 120.400 0.011 0.000 2.133 526 D HA -0.125 4.515 4.640 -0.001 0.000 0.192 526 D C 1.934 178.223 176.300 -0.019 0.000 1.001 526 D CA 2.259 56.254 54.000 -0.009 0.000 0.844 526 D CB -0.499 40.307 40.800 0.012 0.000 0.944 526 D HN 0.492 nan 8.370 nan 0.000 0.447 527 T N 0.352 114.907 114.554 0.003 0.000 2.915 527 T HA -0.098 4.251 4.350 -0.001 0.000 0.269 527 T C 1.813 176.502 174.700 -0.019 0.000 1.071 527 T CA 0.359 62.461 62.100 0.004 0.000 1.132 527 T CB -0.137 68.745 68.868 0.024 0.000 0.878 527 T HN 0.033 nan 8.240 nan 0.000 0.479 528 L N 0.712 121.919 121.223 -0.026 0.000 2.068 528 L HA 0.131 4.470 4.340 -0.001 0.000 0.204 528 L C 2.664 179.484 176.870 -0.083 0.000 1.076 528 L CA 1.266 56.079 54.840 -0.045 0.000 0.753 528 L CB -1.059 40.982 42.059 -0.030 0.000 0.910 528 L HN 0.357 nan 8.230 nan 0.000 0.439 529 C N -0.203 119.022 119.300 -0.125 0.000 2.413 529 C HA -0.066 4.394 4.460 -0.001 0.000 0.276 529 C C 2.797 177.683 174.990 -0.174 0.000 1.248 529 C CA 0.947 59.822 59.018 -0.238 0.000 1.742 529 C CB -1.575 25.901 27.740 -0.439 0.000 2.017 529 C HN 0.697 nan 8.230 nan 0.000 0.481 530 G N -0.180 108.573 108.800 -0.078 0.000 2.394 530 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.215 530 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.215 530 G C 1.589 176.476 174.900 -0.023 0.000 1.165 530 G CA 0.845 45.978 45.100 0.055 0.000 0.784 530 G HN 0.598 nan 8.290 nan 0.000 0.535 531 I N 0.200 120.729 120.570 -0.069 0.000 2.335 531 I HA -0.130 4.040 4.170 -0.001 0.000 0.251 531 I C 2.767 178.787 176.117 -0.161 0.000 1.129 531 I CA 1.192 62.416 61.300 -0.127 0.000 1.402 531 I CB -0.010 37.932 38.000 -0.096 0.000 1.069 531 I HN 0.163 nan 8.210 nan 0.000 0.424 532 R N 0.960 121.386 120.500 -0.123 0.000 2.057 532 R HA -0.153 4.186 4.340 -0.001 0.000 0.229 532 R C 2.208 178.429 176.300 -0.131 0.000 1.136 532 R CA 1.319 57.352 56.100 -0.112 0.000 0.952 532 R CB -0.164 30.088 30.300 -0.080 0.000 0.848 532 R HN 0.256 nan 8.270 nan 0.000 0.430 533 K N 0.544 120.886 120.400 -0.095 0.000 2.211 533 K HA -0.165 4.155 4.320 -0.001 0.000 0.204 533 K C 2.003 178.403 176.600 -0.332 0.000 1.047 533 K CA 1.069 57.334 56.287 -0.038 0.000 0.935 533 K CB -0.182 32.461 32.500 0.238 0.000 0.728 533 K HN 0.174 nan 8.250 nan 0.000 0.452 534 L N 0.773 121.601 121.223 -0.659 0.000 2.179 534 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 534 L C 1.679 178.213 176.870 -0.560 0.000 1.096 534 L CA 1.748 55.950 54.840 -1.063 0.000 0.779 534 L CB -0.208 41.217 42.059 -1.057 0.000 0.922 534 L HN -0.033 nan 8.230 nan 0.000 0.443 535 T N 0.258 114.605 114.554 -0.345 0.000 3.100 535 T HA 0.186 4.536 4.350 -0.001 0.000 0.253 535 T C 0.919 175.512 174.700 -0.179 0.000 1.118 535 T CA -0.279 61.682 62.100 -0.231 0.000 1.058 535 T CB -0.288 68.482 68.868 -0.164 0.000 0.953 535 T HN 0.086 nan 8.240 nan 0.000 0.515 536 L N 1.410 122.533 121.223 -0.166 0.000 2.492 536 L HA 0.139 4.479 4.340 -0.001 0.000 0.280 536 L C 1.939 178.718 176.870 -0.153 0.000 1.240 536 L CA -0.137 54.637 54.840 -0.111 0.000 0.831 536 L CB 0.456 42.479 42.059 -0.061 0.000 1.100 536 L HN 0.056 nan 8.230 nan 0.000 0.505 537 R N 0.527 120.963 120.500 -0.105 0.000 2.081 537 R HA -0.140 4.200 4.340 -0.001 0.000 0.235 537 R C 1.239 177.412 176.300 -0.212 0.000 1.131 537 R CA 1.356 57.376 56.100 -0.134 0.000 0.960 537 R CB -0.146 30.140 30.300 -0.023 0.000 0.856 537 R HN 0.656 nan 8.270 nan 0.000 0.436 538 D N 0.313 120.681 120.400 -0.053 0.000 2.384 538 D HA -0.056 4.583 4.640 -0.001 0.000 0.222 538 D C 0.015 176.315 176.300 -0.001 0.000 0.976 538 D CA 0.950 54.999 54.000 0.082 0.000 0.915 538 D CB -0.011 40.862 40.800 0.122 0.000 0.896 538 D HN 0.129 nan 8.370 nan 0.000 0.523 539 T N 1.010 115.421 114.554 -0.237 0.000 2.749 539 T HA 0.339 4.689 4.350 -0.001 0.000 0.295 539 T C -0.067 174.361 174.700 -0.454 0.000 0.936 539 T CA -0.190 61.808 62.100 -0.170 0.000 1.060 539 T CB 0.315 69.073 68.868 -0.184 0.000 0.904 539 T HN -0.181 nan 8.240 nan 0.000 0.500 540 F N 2.398 122.434 119.950 0.144 0.000 2.563 540 F HA 0.673 5.200 4.527 -0.001 0.000 0.316 540 F C -0.345 175.586 175.800 0.217 0.000 1.076 540 F CA -1.303 56.792 58.000 0.159 0.000 0.921 540 F CB 1.452 40.531 39.000 0.131 0.000 1.209 540 F HN 0.283 nan 8.300 nan 0.000 0.462 541 I N 1.244 122.069 120.570 0.424 0.000 2.509 541 I HA 0.318 4.487 4.170 -0.001 0.000 0.293 541 I C -0.389 175.960 176.117 0.386 0.000 1.020 541 I CA -0.795 60.720 61.300 0.358 0.000 1.088 541 I CB 1.828 39.997 38.000 0.281 0.000 1.267 541 I HN 0.526 nan 8.210 nan 0.000 0.430 542 E N 3.357 123.725 120.200 0.279 0.000 2.318 542 E HA 0.184 4.534 4.350 -0.001 0.000 0.265 542 E C 0.806 177.506 176.600 0.168 0.000 1.069 542 E CA -0.667 55.898 56.400 0.275 0.000 0.893 542 E CB 1.223 31.034 29.700 0.185 0.000 1.076 542 E HN 0.522 nan 8.360 nan 0.000 0.414 543 L N 3.139 124.497 121.223 0.226 0.000 2.010 543 L HA -0.307 4.033 4.340 -0.001 0.000 0.219 543 L C 1.918 178.738 176.870 -0.084 0.000 1.077 543 L CA 2.553 57.389 54.840 -0.006 0.000 0.773 543 L CB -0.705 41.473 42.059 0.198 0.000 0.892 543 L HN 0.803 nan 8.230 nan 0.000 0.436 544 D N -0.959 119.445 120.400 0.008 0.000 2.116 544 D HA -0.349 4.291 4.640 -0.001 0.000 0.193 544 D C 1.993 178.286 176.300 -0.013 0.000 0.998 544 D CA 2.142 56.140 54.000 -0.003 0.000 0.836 544 D CB -0.547 40.266 40.800 0.021 0.000 0.951 544 D HN 0.732 nan 8.370 nan 0.000 0.449 545 Q N 0.077 119.885 119.800 0.013 0.000 2.331 545 Q HA 0.000 4.340 4.340 -0.001 0.000 0.203 545 Q C 2.280 178.300 176.000 0.033 0.000 0.944 545 Q CA 0.237 56.081 55.803 0.068 0.000 0.892 545 Q CB 0.357 29.155 28.738 0.100 0.000 0.983 545 Q HN 0.163 nan 8.270 nan 0.000 0.482 546 V N 0.852 120.691 119.914 -0.125 0.000 2.307 546 V HA -0.258 3.861 4.120 -0.001 0.000 0.245 546 V C 2.205 178.107 176.094 -0.320 0.000 1.045 546 V CA 1.385 63.505 62.300 -0.299 0.000 1.024 546 V CB -0.450 30.920 31.823 -0.755 0.000 0.651 546 V HN 0.424 nan 8.190 nan 0.000 0.449 547 L N 0.204 121.252 121.223 -0.292 0.000 2.079 547 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 547 L C 2.460 179.182 176.870 -0.246 0.000 1.081 547 L CA 1.459 56.136 54.840 -0.272 0.000 0.752 547 L CB -0.829 41.128 42.059 -0.169 0.000 0.896 547 L HN 0.408 nan 8.230 nan 0.000 0.433 548 N N 0.032 118.648 118.700 -0.140 0.000 2.106 548 N HA -0.123 4.617 4.740 -0.001 0.000 0.188 548 N C 1.952 177.331 175.510 -0.218 0.000 1.029 548 N CA 1.322 54.294 53.050 -0.130 0.000 0.848 548 N CB -0.151 38.334 38.487 -0.004 0.000 1.007 548 N HN 0.310 nan 8.380 nan 0.000 0.423 549 M N 0.587 120.092 119.600 -0.158 0.000 2.080 549 M HA -0.139 4.340 4.480 -0.001 0.000 0.260 549 M C 2.133 178.291 176.300 -0.235 0.000 1.068 549 M CA 1.275 56.501 55.300 -0.124 0.000 1.109 549 M CB -0.499 32.119 32.600 0.029 0.000 1.342 549 M HN 0.089 nan 8.290 nan 0.000 0.405 550 L N -1.256 119.698 121.223 -0.448 0.000 1.970 550 L HA -0.272 4.068 4.340 -0.001 0.000 0.212 550 L C 2.611 178.990 176.870 -0.818 0.000 1.071 550 L CA 1.549 55.849 54.840 -0.901 0.000 0.751 550 L CB -1.025 40.147 42.059 -1.479 0.000 0.889 550 L HN 0.232 nan 8.230 nan 0.000 0.432 551 Y N -0.885 118.954 120.300 -0.767 0.000 2.384 551 Y HA -0.271 4.278 4.550 -0.001 0.000 0.289 551 Y C 2.054 177.757 175.900 -0.328 0.000 1.152 551 Y CA 0.815 58.637 58.100 -0.464 0.000 1.258 551 Y CB -0.509 37.724 38.460 -0.378 0.000 0.979 551 Y HN 0.131 nan 8.280 nan 0.000 0.549 552 W N -0.499 120.546 121.300 -0.425 0.000 2.436 552 W HA 0.014 4.674 4.660 -0.001 0.000 0.284 552 W C 0.556 176.908 176.519 -0.278 0.000 1.225 552 W CA 0.794 57.892 57.345 -0.411 0.000 1.271 552 W CB -0.075 29.127 29.460 -0.429 0.000 1.114 552 W HN -0.382 nan 8.180 nan 0.000 0.559 553 V N 4.300 124.219 119.914 0.007 0.000 2.397 553 V HA -0.039 4.081 4.120 -0.001 0.000 0.262 553 V C -0.833 175.298 176.094 0.061 0.000 1.047 553 V CA -0.712 61.615 62.300 0.046 0.000 1.003 553 V CB 0.467 32.313 31.823 0.039 0.000 1.037 553 V HN -0.041 nan 8.190 nan 0.000 0.480 554 P HA -0.124 nan 4.420 nan 0.000 0.219 554 P C 0.502 177.860 177.300 0.096 0.000 1.146 554 P CA 1.090 64.210 63.100 0.033 0.000 0.808 554 P CB 0.389 32.098 31.700 0.014 0.000 0.779 555 D N -1.562 118.909 120.400 0.119 0.000 2.395 555 D HA 0.025 4.664 4.640 -0.001 0.000 0.226 555 D C 0.278 176.686 176.300 0.181 0.000 1.146 555 D CA -0.215 53.854 54.000 0.116 0.000 0.830 555 D CB -0.462 40.387 40.800 0.083 0.000 0.958 555 D HN 0.203 nan 8.370 nan 0.000 0.501 556 W N 2.866 124.175 121.300 0.016 0.000 2.184 556 W HA 0.101 4.761 4.660 -0.001 0.000 0.338 556 W C 0.331 176.868 176.519 0.030 0.000 1.257 556 W CA -0.606 56.755 57.345 0.027 0.000 1.243 556 W CB 0.792 30.276 29.460 0.041 0.000 1.122 556 W HN -0.078 nan 8.180 nan 0.000 0.585 557 D N 2.959 122.995 120.400 -0.606 0.000 3.008 557 D HA 0.169 4.808 4.640 -0.001 0.000 0.312 557 D C 1.184 176.878 176.300 -1.009 0.000 1.361 557 D CA -0.029 53.614 54.000 -0.595 0.000 0.858 557 D CB -0.223 40.380 40.800 -0.327 0.000 1.098 557 D HN 0.783 nan 8.370 nan 0.000 0.482 558 G N 0.228 107.993 108.800 -1.724 0.000 2.453 558 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.313 558 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.313 558 G C 0.227 174.558 174.900 -0.949 0.000 0.948 558 G CA 0.450 44.566 45.100 -1.640 0.000 0.846 558 G HN 0.440 nan 8.290 nan 0.000 0.512 559 V N 1.600 120.992 119.914 -0.871 0.000 2.293 559 V HA 0.330 4.449 4.120 -0.001 0.000 0.275 559 V C 0.840 177.020 176.094 0.144 0.000 1.021 559 V CA -0.871 61.295 62.300 -0.224 0.000 0.815 559 V CB 1.221 32.948 31.823 -0.159 0.000 1.025 559 V HN 0.317 nan 8.190 nan 0.000 0.448 560 I N 8.821 129.557 120.570 0.276 0.000 2.578 560 I HA 0.131 4.301 4.170 -0.001 0.000 0.286 560 I C -1.429 174.900 176.117 0.353 0.000 1.126 560 I CA -1.102 60.432 61.300 0.391 0.000 1.380 560 I CB 0.586 38.779 38.000 0.322 0.000 1.408 560 I HN 0.424 nan 8.210 nan 0.000 0.532 561 P HA 0.041 nan 4.420 nan 0.000 0.268 561 P C -0.272 177.316 177.300 0.479 0.000 1.205 561 P CA -0.218 63.105 63.100 0.372 0.000 0.771 561 P CB 0.441 32.356 31.700 0.359 0.000 0.858 562 T N 5.132 119.835 114.554 0.249 0.000 2.916 562 T HA 0.158 4.508 4.350 -0.001 0.000 0.303 562 T C -2.017 172.625 174.700 -0.097 0.000 1.025 562 T CA -0.455 61.709 62.100 0.106 0.000 1.142 562 T CB -0.595 68.293 68.868 0.035 0.000 0.947 562 T HN 0.366 nan 8.240 nan 0.000 0.544 563 P HA 0.075 nan 4.420 nan 0.000 0.266 563 P C 0.178 177.220 177.300 -0.429 0.000 1.186 563 P CA -0.067 62.393 63.100 -1.067 0.000 0.767 563 P CB 0.378 31.352 31.700 -1.211 0.000 0.820 564 A N 3.272 125.923 122.820 -0.282 0.000 2.167 564 A HA 0.064 4.384 4.320 -0.001 0.000 0.214 564 A C 0.847 178.387 177.584 -0.074 0.000 1.151 564 A CA 1.034 53.026 52.037 -0.076 0.000 0.735 564 A CB -0.529 18.497 19.000 0.042 0.000 0.802 564 A HN 0.513 nan 8.150 nan 0.000 0.467 565 I N -0.338 120.139 120.570 -0.155 0.000 2.478 565 I HA 0.304 4.474 4.170 -0.001 0.000 0.287 565 I C 0.222 176.220 176.117 -0.198 0.000 1.042 565 I CA -0.248 60.974 61.300 -0.131 0.000 1.067 565 I CB 2.006 39.945 38.000 -0.102 0.000 1.233 565 I HN 0.100 nan 8.210 nan 0.000 0.431 566 I N 5.156 125.638 120.570 -0.146 0.000 3.339 566 I HA -0.041 4.128 4.170 -0.001 0.000 0.285 566 I C 1.739 177.801 176.117 -0.093 0.000 1.201 566 I CA 0.017 61.234 61.300 -0.137 0.000 1.434 566 I CB -0.029 37.908 38.000 -0.105 0.000 1.152 566 I HN 0.606 nan 8.210 nan 0.000 0.443 567 K N 3.122 123.476 120.400 -0.076 0.000 2.594 567 K HA -0.182 4.137 4.320 -0.001 0.000 0.255 567 K C -1.240 175.331 176.600 -0.049 0.000 0.704 567 K CA 0.584 56.837 56.287 -0.057 0.000 0.836 567 K CB -1.996 30.468 32.500 -0.059 0.000 0.363 567 K HN -0.034 nan 8.250 nan 0.000 1.036 568 P HA -0.122 nan 4.420 nan 0.000 0.229 568 P C -0.534 176.750 177.300 -0.027 0.000 1.150 568 P CA 1.394 64.475 63.100 -0.031 0.000 0.765 568 P CB 0.217 31.899 31.700 -0.030 0.000 0.783 569 K N 0.615 120.990 120.400 -0.042 0.000 2.619 569 K HA 0.285 4.605 4.320 -0.001 0.000 0.251 569 K C -2.925 173.647 176.600 -0.048 0.000 0.987 569 K CA -2.151 54.121 56.287 -0.025 0.000 0.844 569 K CB 2.678 35.163 32.500 -0.025 0.000 1.237 569 K HN -0.192 nan 8.250 nan 0.000 0.447 570 P HA 0.090 nan 4.420 nan 0.000 0.273 570 P C -1.017 176.231 177.300 -0.086 0.000 1.319 570 P CA -0.419 62.596 63.100 -0.142 0.000 0.885 570 P CB 0.392 32.059 31.700 -0.054 0.000 1.015 571 L N 4.874 126.005 121.223 -0.154 0.000 2.341 571 L HA 0.511 4.850 4.340 -0.001 0.000 0.278 571 L C -0.133 176.783 176.870 0.077 0.000 1.005 571 L CA -0.505 54.400 54.840 0.107 0.000 0.818 571 L CB 1.165 43.270 42.059 0.078 0.000 1.259 571 L HN 0.371 nan 8.230 nan 0.000 0.418 572 W N 1.809 123.232 121.300 0.204 0.000 2.516 572 W HA 0.432 5.092 4.660 -0.001 0.000 0.343 572 W C 0.386 177.008 176.519 0.172 0.000 1.094 572 W CA -0.651 56.796 57.345 0.170 0.000 1.250 572 W CB 2.131 31.660 29.460 0.115 0.000 1.308 572 W HN 0.393 nan 8.180 nan 0.000 0.588 573 S N 0.537 116.409 115.700 0.286 0.000 2.601 573 S HA 0.335 4.804 4.470 -0.001 0.000 0.271 573 S C 1.173 175.761 174.600 -0.019 0.000 1.305 573 S CA 0.249 58.456 58.200 0.011 0.000 1.022 573 S CB 1.286 64.470 63.200 -0.026 0.000 0.940 573 S HN 0.616 nan 8.310 nan 0.000 0.525 574 G N 2.952 111.642 108.800 -0.185 0.000 2.422 574 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.218 574 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.218 574 G C 1.289 176.083 174.900 -0.177 0.000 1.146 574 G CA 0.602 45.564 45.100 -0.230 0.000 0.769 574 G HN 0.781 nan 8.290 nan 0.000 0.547 575 K N 0.034 120.347 120.400 -0.145 0.000 2.097 575 K HA -0.075 4.245 4.320 -0.001 0.000 0.206 575 K C 2.684 179.264 176.600 -0.034 0.000 1.049 575 K CA 1.095 57.325 56.287 -0.095 0.000 0.933 575 K CB -0.149 32.307 32.500 -0.075 0.000 0.717 575 K HN 0.367 nan 8.250 nan 0.000 0.442 576 Q N 0.639 120.450 119.800 0.018 0.000 2.061 576 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 576 Q C 2.244 178.294 176.000 0.084 0.000 0.984 576 Q CA 1.819 57.678 55.803 0.094 0.000 0.846 576 Q CB -0.279 28.589 28.738 0.216 0.000 0.902 576 Q HN 0.477 nan 8.270 nan 0.000 0.421 577 I N -1.377 119.222 120.570 0.048 0.000 2.353 577 I HA -0.173 3.997 4.170 -0.001 0.000 0.248 577 I C 2.288 178.394 176.117 -0.017 0.000 1.119 577 I CA 0.564 61.867 61.300 0.006 0.000 1.417 577 I CB -0.479 37.504 38.000 -0.029 0.000 1.078 577 I HN 0.114 nan 8.210 nan 0.000 0.421 578 L N 1.700 122.895 121.223 -0.048 0.000 2.042 578 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 578 L C 2.565 179.418 176.870 -0.029 0.000 1.076 578 L CA 1.845 56.650 54.840 -0.058 0.000 0.749 578 L CB -0.717 41.283 42.059 -0.098 0.000 0.893 578 L HN 0.154 nan 8.230 nan 0.000 0.432 579 S N -1.170 114.522 115.700 -0.014 0.000 2.462 579 S HA -0.161 4.309 4.470 -0.001 0.000 0.243 579 S C 1.863 176.482 174.600 0.033 0.000 1.003 579 S CA 1.261 59.464 58.200 0.005 0.000 0.970 579 S CB -0.472 62.741 63.200 0.021 0.000 0.762 579 S HN 0.388 nan 8.310 nan 0.000 0.510 580 V N 1.119 121.063 119.914 0.051 0.000 2.871 580 V HA -0.021 4.099 4.120 -0.001 0.000 0.256 580 V C 2.390 178.531 176.094 0.079 0.000 1.082 580 V CA 1.328 63.687 62.300 0.098 0.000 1.105 580 V CB -0.920 30.974 31.823 0.118 0.000 0.713 580 V HN 0.537 nan 8.190 nan 0.000 0.473 581 A N -0.310 122.530 122.820 0.033 0.000 2.119 581 A HA 0.195 4.515 4.320 -0.001 0.000 0.216 581 A C 1.080 178.667 177.584 0.004 0.000 1.152 581 A CA 0.402 52.452 52.037 0.021 0.000 0.708 581 A CB -0.295 18.702 19.000 -0.004 0.000 0.805 581 A HN 0.499 nan 8.150 nan 0.000 0.460 582 I N 2.224 122.791 120.570 -0.006 0.000 2.395 582 I HA 0.221 4.390 4.170 -0.001 0.000 0.289 582 I C -1.931 174.180 176.117 -0.011 0.000 1.023 582 I CA -2.210 59.075 61.300 -0.026 0.000 1.350 582 I CB 1.406 39.382 38.000 -0.041 0.000 1.409 582 I HN 0.141 nan 8.210 nan 0.000 0.507 583 P HA 0.120 nan 4.420 nan 0.000 0.276 583 P C -1.102 176.177 177.300 -0.036 0.000 1.261 583 P CA -0.561 62.529 63.100 -0.015 0.000 0.800 583 P CB 0.582 32.272 31.700 -0.017 0.000 1.066 584 N N -0.402 118.281 118.700 -0.029 0.000 2.508 584 N HA 0.260 5.000 4.740 -0.001 0.000 0.264 584 N C 1.400 176.858 175.510 -0.087 0.000 1.216 584 N CA 0.959 53.984 53.050 -0.042 0.000 0.943 584 N CB -0.036 38.440 38.487 -0.018 0.000 1.113 584 N HN 0.820 nan 8.380 nan 0.000 0.447 585 G N 0.236 108.950 108.800 -0.143 0.000 2.157 585 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.239 585 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.239 585 G C -0.205 174.366 174.900 -0.549 0.000 0.982 585 G CA -0.393 44.552 45.100 -0.259 0.000 0.650 585 G HN 0.469 nan 8.290 nan 0.000 0.527 586 I N 2.524 122.823 120.570 -0.453 0.000 2.315 586 I HA 0.478 4.647 4.170 -0.001 0.000 0.291 586 I C 0.089 175.940 176.117 -0.445 0.000 1.006 586 I CA -0.846 60.216 61.300 -0.396 0.000 1.265 586 I CB 0.690 38.584 38.000 -0.178 0.000 1.387 586 I HN 0.085 nan 8.210 nan 0.000 0.475 587 H N 6.273 125.332 119.070 -0.017 0.000 2.622 587 H HA 0.731 5.286 4.556 -0.001 0.000 0.363 587 H C -1.040 174.265 175.328 -0.038 0.000 1.151 587 H CA -0.979 55.053 56.048 -0.027 0.000 1.184 587 H CB 3.058 32.816 29.762 -0.006 0.000 1.643 587 H HN 0.362 nan 8.280 nan 0.000 0.531 588 L N 1.734 122.989 121.223 0.055 0.000 2.565 588 L HA 0.277 4.617 4.340 -0.001 0.000 0.261 588 L C -1.434 175.394 176.870 -0.070 0.000 0.932 588 L CA -0.153 54.679 54.840 -0.014 0.000 0.878 588 L CB 2.075 44.102 42.059 -0.052 0.000 1.333 588 L HN 0.658 nan 8.230 nan 0.000 0.409 589 Q N 4.352 124.129 119.800 -0.039 0.000 2.305 589 Q HA 0.768 5.108 4.340 -0.001 0.000 0.271 589 Q C -1.320 174.674 176.000 -0.010 0.000 1.046 589 Q CA -0.840 54.928 55.803 -0.059 0.000 0.798 589 Q CB 3.267 32.052 28.738 0.077 0.000 1.286 589 Q HN 0.683 nan 8.270 nan 0.000 0.435 590 R N 1.204 121.632 120.500 -0.119 0.000 2.536 590 R HA 0.497 4.836 4.340 -0.001 0.000 0.269 590 R C -1.947 174.279 176.300 -0.123 0.000 1.113 590 R CA -0.586 55.519 56.100 0.007 0.000 0.948 590 R CB 0.880 31.176 30.300 -0.006 0.000 1.237 590 R HN 0.285 nan 8.270 nan 0.000 0.441 591 F N 2.178 122.160 119.950 0.054 0.000 2.444 591 F HA 0.422 4.949 4.527 -0.001 0.000 0.342 591 F C 0.402 176.227 175.800 0.042 0.000 1.121 591 F CA -0.419 57.624 58.000 0.071 0.000 0.997 591 F CB 1.573 40.611 39.000 0.063 0.000 1.130 591 F HN 0.463 nan 8.300 nan 0.000 0.454 592 D N 1.643 122.136 120.400 0.156 0.000 2.539 592 D HA 0.141 4.781 4.640 -0.001 0.000 0.280 592 D C 1.199 177.558 176.300 0.099 0.000 1.208 592 D CA -0.342 53.716 54.000 0.096 0.000 1.088 592 D CB 0.531 41.362 40.800 0.052 0.000 1.149 592 D HN 0.571 nan 8.370 nan 0.000 0.596 593 E N 0.153 120.388 120.200 0.058 0.000 2.160 593 E HA -0.217 4.133 4.350 -0.001 0.000 0.237 593 E C 1.023 177.656 176.600 0.054 0.000 1.069 593 E CA 1.822 58.249 56.400 0.045 0.000 0.950 593 E CB -0.206 29.509 29.700 0.025 0.000 0.832 593 E HN 0.510 nan 8.360 nan 0.000 0.496 594 G N 0.320 109.148 108.800 0.048 0.000 4.644 594 G HA2 0.177 4.137 3.960 -0.001 0.000 0.307 594 G HA3 0.177 4.137 3.960 -0.001 0.000 0.307 594 G C -0.676 174.257 174.900 0.054 0.000 1.331 594 G CA -0.335 44.792 45.100 0.046 0.000 1.059 594 G HN -0.018 nan 8.290 nan 0.000 0.590 595 T N 1.392 116.011 114.554 0.108 0.000 2.832 595 T HA 0.538 4.887 4.350 -0.001 0.000 0.296 595 T C 0.324 175.145 174.700 0.202 0.000 0.968 595 T CA 0.243 62.405 62.100 0.103 0.000 1.107 595 T CB 1.687 70.618 68.868 0.105 0.000 0.916 595 T HN 0.160 nan 8.240 nan 0.000 0.517 596 T N 2.202 116.785 114.554 0.049 0.000 2.773 596 T HA 0.374 4.723 4.350 -0.001 0.000 0.278 596 T C 0.855 175.534 174.700 -0.034 0.000 1.011 596 T CA -0.843 61.310 62.100 0.089 0.000 1.014 596 T CB 0.796 69.668 68.868 0.007 0.000 1.293 596 T HN 0.243 nan 8.240 nan 0.000 0.554 597 L N 0.474 121.717 121.223 0.033 0.000 2.650 597 L HA 0.332 4.672 4.340 -0.001 0.000 0.235 597 L C 1.159 177.911 176.870 -0.196 0.000 1.149 597 L CA 1.064 55.902 54.840 -0.003 0.000 0.887 597 L CB -0.731 41.401 42.059 0.122 0.000 1.021 597 L HN 0.389 nan 8.230 nan 0.000 0.441 598 L N -0.852 120.216 121.223 -0.258 0.000 3.410 598 L HA 0.170 4.510 4.340 -0.001 0.000 0.309 598 L C 0.613 177.303 176.870 -0.300 0.000 1.254 598 L CA -0.178 54.517 54.840 -0.242 0.000 1.048 598 L CB 0.393 42.386 42.059 -0.111 0.000 1.442 598 L HN 0.282 nan 8.230 nan 0.000 0.615 599 S N 1.040 116.483 115.700 -0.428 0.000 3.975 599 S HA -0.121 4.349 4.470 -0.001 0.000 0.278 599 S C -0.987 173.490 174.600 -0.206 0.000 0.453 599 S CA -0.394 57.606 58.200 -0.333 0.000 1.501 599 S CB -0.868 62.028 63.200 -0.507 0.000 1.534 599 S HN 0.312 nan 8.310 nan 0.000 0.366 600 P HA -0.201 nan 4.420 nan 0.000 0.215 600 P C 0.888 178.153 177.300 -0.058 0.000 1.157 600 P CA 1.496 64.551 63.100 -0.075 0.000 0.874 600 P CB -0.008 31.665 31.700 -0.046 0.000 0.790 601 K N -0.718 119.653 120.400 -0.049 0.000 2.616 601 K HA -0.084 4.236 4.320 -0.001 0.000 0.192 601 K C 0.452 177.035 176.600 -0.028 0.000 1.031 601 K CA 0.547 56.817 56.287 -0.028 0.000 1.004 601 K CB -0.716 31.774 32.500 -0.016 0.000 0.810 601 K HN 0.028 nan 8.250 nan 0.000 0.497 602 D N 0.705 121.074 120.400 -0.052 0.000 2.911 602 D HA -0.182 4.457 4.640 -0.001 0.000 0.227 602 D C -0.298 176.010 176.300 0.012 0.000 1.164 602 D CA 0.456 54.442 54.000 -0.025 0.000 0.782 602 D CB -1.106 39.689 40.800 -0.009 0.000 1.094 602 D HN 0.216 nan 8.370 nan 0.000 0.425 603 N N -0.371 118.324 118.700 -0.009 0.000 2.255 603 N HA 0.435 5.175 4.740 -0.001 0.000 0.253 603 N C 1.392 176.951 175.510 0.082 0.000 1.313 603 N CA 1.214 54.275 53.050 0.018 0.000 0.912 603 N CB 0.004 38.492 38.487 0.001 0.000 1.145 603 N HN 0.473 nan 8.380 nan 0.000 0.511 604 G N -0.106 108.728 108.800 0.057 0.000 2.578 604 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.284 604 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.284 604 G C -0.453 174.460 174.900 0.021 0.000 1.283 604 G CA 0.786 45.912 45.100 0.043 0.000 0.944 604 G HN 0.713 nan 8.290 nan 0.000 0.558 605 M N -1.425 118.096 119.600 -0.131 0.000 2.346 605 M HA 0.686 5.165 4.480 -0.001 0.000 0.287 605 M C -2.021 173.912 176.300 -0.611 0.000 1.100 605 M CA -0.718 54.404 55.300 -0.297 0.000 0.950 605 M CB 1.791 34.285 32.600 -0.177 0.000 1.815 605 M HN 1.657 nan 8.290 nan 0.000 0.497 606 L N 6.680 127.403 121.223 -0.834 0.000 2.518 606 L HA 0.731 5.071 4.340 -0.001 0.000 0.262 606 L C -2.108 174.502 176.870 -0.433 0.000 0.982 606 L CA -0.098 54.271 54.840 -0.786 0.000 0.873 606 L CB 1.130 42.345 42.059 -1.408 0.000 1.198 606 L HN 0.752 nan 8.230 nan 0.000 0.427 607 I N 5.567 125.998 120.570 -0.232 0.000 2.441 607 I HA 0.522 4.692 4.170 -0.001 0.000 0.295 607 I C -0.562 175.545 176.117 -0.018 0.000 0.994 607 I CA -0.628 60.602 61.300 -0.117 0.000 1.144 607 I CB 1.936 39.882 38.000 -0.089 0.000 1.314 607 I HN 0.484 nan 8.210 nan 0.000 0.445 608 I N 5.029 125.618 120.570 0.031 0.000 2.500 608 I HA 0.202 4.372 4.170 -0.001 0.000 0.286 608 I C -0.566 175.649 176.117 0.162 0.000 1.063 608 I CA -0.298 61.094 61.300 0.153 0.000 1.062 608 I CB 1.695 39.735 38.000 0.067 0.000 1.223 608 I HN 0.630 nan 8.210 nan 0.000 0.435 609 D N 5.378 125.939 120.400 0.268 0.000 2.723 609 D HA -0.174 4.466 4.640 -0.001 0.000 0.236 609 D C 0.971 177.282 176.300 0.018 0.000 1.138 609 D CA 1.672 55.741 54.000 0.114 0.000 0.676 609 D CB -0.724 40.160 40.800 0.141 0.000 1.069 609 D HN 1.159 nan 8.370 nan 0.000 0.430 610 G N 0.002 108.784 108.800 -0.029 0.000 2.221 610 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.265 610 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.265 610 G C -0.194 174.704 174.900 -0.003 0.000 1.041 610 G CA 0.569 45.651 45.100 -0.030 0.000 0.807 610 G HN 0.483 nan 8.290 nan 0.000 0.502 611 Q N -0.421 119.381 119.800 0.003 0.000 2.275 611 Q HA 0.390 4.729 4.340 -0.001 0.000 0.266 611 Q C 0.239 176.227 176.000 -0.020 0.000 1.002 611 Q CA -0.768 55.040 55.803 0.008 0.000 0.761 611 Q CB 2.055 30.811 28.738 0.031 0.000 1.255 611 Q HN 0.728 nan 8.270 nan 0.000 0.446 612 I N 2.931 123.478 120.570 -0.038 0.000 2.517 612 I HA 0.079 4.249 4.170 -0.001 0.000 0.285 612 I C 0.130 176.214 176.117 -0.055 0.000 1.106 612 I CA 0.222 61.477 61.300 -0.075 0.000 1.402 612 I CB 0.447 38.398 38.000 -0.082 0.000 1.399 612 I HN 0.727 nan 8.210 nan 0.000 0.535 613 I N 7.528 128.040 120.570 -0.096 0.000 2.731 613 I HA 0.096 4.265 4.170 -0.001 0.000 0.260 613 I C -0.061 176.104 176.117 0.079 0.000 1.138 613 I CA 0.463 61.748 61.300 -0.025 0.000 1.461 613 I CB 0.152 38.128 38.000 -0.039 0.000 1.128 613 I HN 0.694 nan 8.210 nan 0.000 0.438 614 F N -0.183 119.736 119.950 -0.052 0.000 2.703 614 F HA 0.710 5.236 4.527 -0.001 0.000 0.308 614 F C -0.571 175.178 175.800 -0.086 0.000 1.126 614 F CA -1.112 56.848 58.000 -0.065 0.000 0.959 614 F CB 0.428 39.391 39.000 -0.062 0.000 1.297 614 F HN -0.031 nan 8.300 nan 0.000 0.441 615 G N 1.135 110.128 108.800 0.323 0.000 2.784 615 G HA2 0.294 4.254 3.960 -0.001 0.000 0.686 615 G HA3 0.294 4.254 3.960 -0.001 0.000 0.686 615 G C -1.565 173.353 174.900 0.029 0.000 1.156 615 G CA -0.662 44.544 45.100 0.177 0.000 0.757 615 G HN 1.284 nan 8.290 nan 0.000 0.642 616 V N 1.469 121.386 119.914 0.005 0.000 2.715 616 V HA 0.352 4.472 4.120 -0.001 0.000 0.299 616 V C 1.194 177.258 176.094 -0.050 0.000 1.054 616 V CA -0.416 61.862 62.300 -0.037 0.000 1.077 616 V CB 1.574 33.377 31.823 -0.033 0.000 0.972 616 V HN 0.874 nan 8.190 nan 0.000 0.484 617 V N 5.632 125.501 119.914 -0.076 0.000 2.353 617 V HA 0.402 4.521 4.120 -0.001 0.000 0.264 617 V C 0.139 176.189 176.094 -0.074 0.000 1.049 617 V CA -0.197 62.054 62.300 -0.080 0.000 0.896 617 V CB 0.549 32.313 31.823 -0.098 0.000 1.025 617 V HN 1.152 nan 8.190 nan 0.000 0.475 618 E N 3.397 123.563 120.200 -0.058 0.000 2.419 618 E HA 0.427 4.777 4.350 -0.001 0.000 0.222 618 E C 0.914 177.490 176.600 -0.040 0.000 0.826 618 E CA -0.889 55.482 56.400 -0.048 0.000 0.903 618 E CB 0.498 30.175 29.700 -0.037 0.000 1.838 618 E HN 0.028 nan 8.360 nan 0.000 0.403 619 K N 0.080 120.464 120.400 -0.027 0.000 2.113 619 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 619 K C 1.567 178.157 176.600 -0.016 0.000 1.047 619 K CA 1.784 58.060 56.287 -0.017 0.000 0.928 619 K CB -0.127 32.369 32.500 -0.007 0.000 0.716 619 K HN 0.331 nan 8.250 nan 0.000 0.446 620 K N -0.810 119.580 120.400 -0.018 0.000 2.283 620 K HA -0.077 4.243 4.320 -0.001 0.000 0.202 620 K C 1.764 178.349 176.600 -0.025 0.000 1.048 620 K CA 1.518 57.795 56.287 -0.017 0.000 0.948 620 K CB 0.142 32.633 32.500 -0.015 0.000 0.742 620 K HN 0.194 nan 8.250 nan 0.000 0.458 621 T N -0.373 114.158 114.554 -0.038 0.000 3.045 621 T HA 0.015 4.365 4.350 -0.001 0.000 0.239 621 T C 1.571 176.235 174.700 -0.060 0.000 1.008 621 T CA 0.324 62.392 62.100 -0.052 0.000 1.143 621 T CB 0.343 69.170 68.868 -0.069 0.000 0.894 621 T HN -0.084 nan 8.240 nan 0.000 0.451 622 V N 1.362 121.238 119.914 -0.063 0.000 3.578 622 V HA 0.416 4.536 4.120 -0.001 0.000 0.290 622 V C 1.310 177.369 176.094 -0.058 0.000 1.376 622 V CA 0.071 62.321 62.300 -0.083 0.000 1.083 622 V CB -0.247 31.519 31.823 -0.094 0.000 0.911 622 V HN 0.477 nan 8.190 nan 0.000 0.433 623 G N 0.040 108.825 108.800 -0.025 0.000 2.508 623 G HA2 0.189 4.149 3.960 -0.001 0.000 0.278 623 G HA3 0.189 4.149 3.960 -0.001 0.000 0.278 623 G C 0.989 175.902 174.900 0.021 0.000 1.389 623 G CA 0.498 45.602 45.100 0.005 0.000 1.050 623 G HN 0.491 nan 8.290 nan 0.000 0.522 624 S N -0.887 114.839 115.700 0.042 0.000 2.710 624 S HA 0.147 4.617 4.470 -0.001 0.000 0.224 624 S C 1.124 175.753 174.600 0.048 0.000 0.948 624 S CA 0.368 58.599 58.200 0.052 0.000 0.949 624 S CB -0.946 62.288 63.200 0.056 0.000 0.778 624 S HN 0.863 nan 8.310 nan 0.000 0.498 625 S N 1.623 117.347 115.700 0.040 0.000 2.563 625 S HA 0.114 4.584 4.470 -0.001 0.000 0.269 625 S C 1.086 175.736 174.600 0.084 0.000 1.364 625 S CA -0.480 57.745 58.200 0.043 0.000 1.010 625 S CB 0.144 63.356 63.200 0.020 0.000 0.877 625 S HN 0.496 nan 8.310 nan 0.000 0.549 626 N N 2.009 120.759 118.700 0.082 0.000 2.003 626 N HA -0.125 4.614 4.740 -0.001 0.000 0.195 626 N C 1.771 177.364 175.510 0.138 0.000 1.083 626 N CA 1.797 54.932 53.050 0.141 0.000 0.875 626 N CB -1.009 37.501 38.487 0.039 0.000 1.067 626 N HN 0.866 nan 8.380 nan 0.000 0.428 627 G N 0.498 109.293 108.800 -0.008 0.000 2.956 627 G HA2 0.155 4.115 3.960 -0.001 0.000 0.207 627 G HA3 0.155 4.115 3.960 -0.001 0.000 0.207 627 G C 0.750 175.643 174.900 -0.012 0.000 1.162 627 G CA 0.265 45.317 45.100 -0.080 0.000 0.796 627 G HN 0.434 nan 8.290 nan 0.000 0.527 628 G N -0.059 108.761 108.800 0.033 0.000 2.785 628 G HA2 0.121 4.081 3.960 -0.001 0.000 0.256 628 G HA3 0.121 4.081 3.960 -0.001 0.000 0.256 628 G C 1.106 176.010 174.900 0.006 0.000 1.248 628 G CA -0.081 45.026 45.100 0.012 0.000 0.914 628 G HN 0.278 nan 8.290 nan 0.000 0.580 629 L N -0.251 120.949 121.223 -0.037 0.000 2.187 629 L HA -0.034 4.305 4.340 -0.001 0.000 0.213 629 L C 2.519 179.348 176.870 -0.069 0.000 1.100 629 L CA 1.523 56.326 54.840 -0.063 0.000 0.765 629 L CB -0.229 41.771 42.059 -0.099 0.000 0.904 629 L HN 0.563 nan 8.230 nan 0.000 0.437 630 I N -1.799 118.727 120.570 -0.074 0.000 2.406 630 I HA -0.198 3.972 4.170 -0.001 0.000 0.249 630 I C 2.398 178.524 176.117 0.014 0.000 1.122 630 I CA 0.606 61.852 61.300 -0.091 0.000 1.431 630 I CB -0.481 37.441 38.000 -0.130 0.000 1.087 630 I HN 0.358 nan 8.210 nan 0.000 0.424 631 H N 0.943 119.992 119.070 -0.035 0.000 2.321 631 H HA -0.116 4.440 4.556 -0.001 0.000 0.300 631 H C 2.267 177.579 175.328 -0.026 0.000 1.087 631 H CA 1.837 57.873 56.048 -0.021 0.000 1.319 631 H CB -0.094 29.660 29.762 -0.014 0.000 1.379 631 H HN 0.058 nan 8.280 nan 0.000 0.501 632 V N 0.214 120.213 119.914 0.141 0.000 2.223 632 V HA -0.244 3.875 4.120 -0.001 0.000 0.244 632 V C 2.973 179.086 176.094 0.031 0.000 1.045 632 V CA 1.657 63.990 62.300 0.055 0.000 1.000 632 V CB -0.872 30.953 31.823 0.003 0.000 0.635 632 V HN 0.224 nan 8.190 nan 0.000 0.445 633 V N 0.040 119.952 119.914 -0.003 0.000 2.317 633 V HA -0.340 3.780 4.120 -0.001 0.000 0.251 633 V C 2.515 178.613 176.094 0.006 0.000 1.065 633 V CA 2.713 65.001 62.300 -0.018 0.000 1.049 633 V CB -1.256 30.538 31.823 -0.048 0.000 0.651 633 V HN 0.665 nan 8.190 nan 0.000 0.450 634 T N -0.294 114.272 114.554 0.020 0.000 2.595 634 T HA -0.204 4.146 4.350 -0.001 0.000 0.264 634 T C 2.118 176.833 174.700 0.024 0.000 1.058 634 T CA 1.460 63.572 62.100 0.020 0.000 1.166 634 T CB -0.314 68.553 68.868 -0.001 0.000 0.863 634 T HN 0.266 nan 8.240 nan 0.000 0.415 635 R N 0.848 121.378 120.500 0.050 0.000 2.103 635 R HA -0.059 4.281 4.340 -0.001 0.000 0.242 635 R C 2.396 178.723 176.300 0.044 0.000 1.142 635 R CA 1.473 57.605 56.100 0.054 0.000 0.960 635 R CB -0.606 29.748 30.300 0.091 0.000 0.858 635 R HN 0.453 nan 8.270 nan 0.000 0.439 636 E N 0.124 120.345 120.200 0.035 0.000 2.086 636 E HA -0.035 4.314 4.350 -0.001 0.000 0.190 636 E C 1.399 178.011 176.600 0.021 0.000 0.975 636 E CA 1.014 57.431 56.400 0.028 0.000 0.813 636 E CB 0.282 29.988 29.700 0.009 0.000 0.768 636 E HN -0.024 nan 8.360 nan 0.000 0.457 637 K N -0.909 119.498 120.400 0.012 0.000 2.360 637 K HA 0.299 4.619 4.320 -0.001 0.000 0.196 637 K C 0.225 176.835 176.600 0.016 0.000 1.049 637 K CA 0.687 56.980 56.287 0.011 0.000 1.049 637 K CB 1.319 33.819 32.500 0.000 0.000 0.881 637 K HN 0.193 nan 8.250 nan 0.000 0.542 638 G N 2.187 110.999 108.800 0.019 0.000 2.629 638 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.686 638 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.686 638 G C -2.179 172.730 174.900 0.016 0.000 1.232 638 G CA -0.451 44.659 45.100 0.018 0.000 0.803 638 G HN -0.172 nan 8.290 nan 0.000 0.638 639 P HA -0.227 nan 4.420 nan 0.000 0.216 639 P C 1.605 178.916 177.300 0.018 0.000 1.157 639 P CA 1.956 65.060 63.100 0.007 0.000 0.880 639 P CB 0.019 31.711 31.700 -0.013 0.000 0.791 640 Q N -0.496 119.312 119.800 0.012 0.000 2.061 640 Q HA -0.103 4.237 4.340 -0.001 0.000 0.204 640 Q C 2.398 178.418 176.000 0.034 0.000 0.984 640 Q CA 1.447 57.260 55.803 0.017 0.000 0.846 640 Q CB -0.631 28.112 28.738 0.009 0.000 0.902 640 Q HN 0.091 nan 8.270 nan 0.000 0.421 641 V N 0.162 120.095 119.914 0.030 0.000 2.392 641 V HA -0.314 3.806 4.120 -0.001 0.000 0.249 641 V C 2.351 178.474 176.094 0.049 0.000 1.059 641 V CA 1.576 63.896 62.300 0.033 0.000 1.051 641 V CB -0.487 31.347 31.823 0.019 0.000 0.658 641 V HN 0.579 nan 8.190 nan 0.000 0.455 642 C N 0.106 119.443 119.300 0.060 0.000 2.446 642 C HA -0.061 4.399 4.460 -0.001 0.000 0.277 642 C C 3.064 178.194 174.990 0.234 0.000 1.275 642 C CA 0.772 59.848 59.018 0.097 0.000 1.727 642 C CB -1.188 26.615 27.740 0.104 0.000 2.010 642 C HN 0.594 nan 8.230 nan 0.000 0.486 643 A N 0.195 123.132 122.820 0.195 0.000 1.902 643 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 643 A C 2.113 179.825 177.584 0.213 0.000 1.181 643 A CA 2.245 54.404 52.037 0.202 0.000 0.623 643 A CB -0.661 18.369 19.000 0.051 0.000 0.818 643 A HN 0.602 nan 8.150 nan 0.000 0.443 644 K N -0.389 120.090 120.400 0.130 0.000 2.147 644 K HA -0.082 4.238 4.320 -0.001 0.000 0.205 644 K C 1.707 178.376 176.600 0.115 0.000 1.049 644 K CA 1.257 57.606 56.287 0.104 0.000 0.936 644 K CB -0.557 31.983 32.500 0.066 0.000 0.722 644 K HN 0.344 nan 8.250 nan 0.000 0.446 645 L N 0.041 121.324 121.223 0.100 0.000 2.013 645 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 645 L C 1.784 178.663 176.870 0.015 0.000 1.073 645 L CA 1.808 56.659 54.840 0.017 0.000 0.753 645 L CB -0.685 41.329 42.059 -0.074 0.000 0.890 645 L HN 0.177 nan 8.230 nan 0.000 0.432 646 F N 0.114 120.067 119.950 0.004 0.000 2.091 646 F HA -0.174 4.353 4.527 -0.001 0.000 0.299 646 F C 2.484 178.293 175.800 0.014 0.000 1.103 646 F CA 1.817 59.822 58.000 0.008 0.000 1.228 646 F CB -1.433 37.574 39.000 0.011 0.000 0.984 646 F HN 0.220 nan 8.300 nan 0.000 0.477 647 G N -0.468 108.470 108.800 0.229 0.000 2.418 647 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 647 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 647 G C 1.582 176.539 174.900 0.095 0.000 1.158 647 G CA 0.979 46.163 45.100 0.140 0.000 0.771 647 G HN 0.247 nan 8.290 nan 0.000 0.545 648 N N 0.778 119.526 118.700 0.081 0.000 2.084 648 N HA -0.056 4.683 4.740 -0.001 0.000 0.190 648 N C 2.194 177.723 175.510 0.033 0.000 1.030 648 N CA 0.832 53.918 53.050 0.059 0.000 0.849 648 N CB -0.320 38.197 38.487 0.049 0.000 1.012 648 N HN 0.355 nan 8.380 nan 0.000 0.423 649 I N 1.064 121.641 120.570 0.013 0.000 2.179 649 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 649 I C 2.315 178.432 176.117 -0.000 0.000 1.088 649 I CA 1.074 62.366 61.300 -0.014 0.000 1.357 649 I CB -0.258 37.710 38.000 -0.054 0.000 1.051 649 I HN 0.172 nan 8.210 nan 0.000 0.409 650 Q N 0.749 120.564 119.800 0.026 0.000 2.061 650 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 650 Q C 2.246 178.229 176.000 -0.029 0.000 0.984 650 Q CA 1.659 57.474 55.803 0.021 0.000 0.846 650 Q CB -0.013 28.760 28.738 0.058 0.000 0.902 650 Q HN 0.410 nan 8.270 nan 0.000 0.421 651 K N -0.281 120.098 120.400 -0.035 0.000 2.097 651 K HA -0.130 4.190 4.320 -0.001 0.000 0.206 651 K C 2.060 178.546 176.600 -0.191 0.000 1.049 651 K CA 1.308 57.507 56.287 -0.146 0.000 0.933 651 K CB -0.051 32.456 32.500 0.012 0.000 0.717 651 K HN 0.079 nan 8.250 nan 0.000 0.442 652 V N 0.970 120.854 119.914 -0.049 0.000 2.255 652 V HA -0.203 3.916 4.120 -0.001 0.000 0.243 652 V C 2.367 178.517 176.094 0.093 0.000 1.038 652 V CA 1.405 63.713 62.300 0.012 0.000 1.008 652 V CB -0.369 31.465 31.823 0.017 0.000 0.645 652 V HN 0.026 nan 8.190 nan 0.000 0.449 653 V N 0.882 120.830 119.914 0.056 0.000 2.287 653 V HA -0.279 3.841 4.120 -0.001 0.000 0.248 653 V C 2.347 178.514 176.094 0.123 0.000 1.053 653 V CA 2.278 64.639 62.300 0.103 0.000 1.027 653 V CB -1.011 30.830 31.823 0.030 0.000 0.646 653 V HN 0.560 nan 8.190 nan 0.000 0.447 654 N N -0.401 118.311 118.700 0.019 0.000 2.205 654 N HA -0.189 4.551 4.740 -0.001 0.000 0.186 654 N C 1.648 177.119 175.510 -0.065 0.000 1.015 654 N CA 1.658 54.686 53.050 -0.038 0.000 0.862 654 N CB -0.453 37.975 38.487 -0.097 0.000 0.986 654 N HN 0.577 nan 8.380 nan 0.000 0.429 655 F N -0.343 119.467 119.950 -0.233 0.000 2.128 655 F HA -0.071 4.456 4.527 -0.001 0.000 0.295 655 F C 2.229 178.043 175.800 0.023 0.000 1.100 655 F CA 0.864 58.728 58.000 -0.226 0.000 1.260 655 F CB -0.556 38.191 39.000 -0.422 0.000 1.009 655 F HN 0.060 nan 8.300 nan 0.000 0.476 656 W N 0.324 121.619 121.300 -0.008 0.000 2.421 656 W HA -0.141 4.519 4.660 -0.001 0.000 0.270 656 W C 1.685 178.145 176.519 -0.098 0.000 1.233 656 W CA 1.250 58.566 57.345 -0.047 0.000 1.226 656 W CB -0.101 29.373 29.460 0.024 0.000 1.121 656 W HN 0.147 nan 8.180 nan 0.000 0.579 657 L N 0.121 121.331 121.223 -0.021 0.000 2.307 657 L HA 0.048 4.387 4.340 -0.001 0.000 0.211 657 L C 2.112 178.809 176.870 -0.288 0.000 1.099 657 L CA 1.210 55.974 54.840 -0.126 0.000 0.816 657 L CB -1.020 41.062 42.059 0.038 0.000 0.952 657 L HN 0.068 nan 8.230 nan 0.000 0.455 658 L N -0.986 120.011 121.223 -0.376 0.000 2.141 658 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 658 L C 1.983 178.434 176.870 -0.699 0.000 1.094 658 L CA 1.842 56.371 54.840 -0.518 0.000 0.763 658 L CB -0.764 40.912 42.059 -0.637 0.000 0.908 658 L HN 0.389 nan 8.230 nan 0.000 0.437 659 H N -2.046 116.730 119.070 -0.489 0.000 2.586 659 H HA 0.180 4.736 4.556 -0.001 0.000 0.273 659 H C 1.210 176.244 175.328 -0.490 0.000 0.997 659 H CA 0.685 56.452 56.048 -0.469 0.000 1.177 659 H CB 0.226 29.654 29.762 -0.557 0.000 1.471 659 H HN 0.504 nan 8.280 nan 0.000 0.538 660 N N 0.168 118.551 118.700 -0.528 0.000 2.545 660 N HA 0.122 4.861 4.740 -0.001 0.000 0.190 660 N C 0.447 175.788 175.510 -0.283 0.000 1.043 660 N CA 0.848 53.565 53.050 -0.555 0.000 0.879 660 N CB 1.207 39.020 38.487 -1.124 0.000 1.210 660 N HN 0.279 nan 8.380 nan 0.000 0.437 661 G N -0.228 108.438 108.800 -0.223 0.000 2.755 661 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.686 661 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.686 661 G C -1.074 173.872 174.900 0.077 0.000 1.427 661 G CA -0.132 44.919 45.100 -0.082 0.000 0.873 661 G HN 0.386 nan 8.290 nan 0.000 0.580 662 F N 0.840 120.748 119.950 -0.071 0.000 2.672 662 F HA 0.753 5.280 4.527 -0.001 0.000 0.311 662 F C -0.131 175.653 175.800 -0.026 0.000 1.113 662 F CA 0.308 58.291 58.000 -0.029 0.000 0.996 662 F CB 1.878 40.875 39.000 -0.004 0.000 1.286 662 F HN 1.392 nan 8.300 nan 0.000 0.441 663 S N 2.221 117.388 115.700 -0.888 0.000 2.752 663 S HA 0.913 5.382 4.470 -0.001 0.000 0.284 663 S C -1.707 172.497 174.600 -0.661 0.000 1.189 663 S CA -0.274 57.602 58.200 -0.540 0.000 0.835 663 S CB 1.939 64.973 63.200 -0.276 0.000 1.192 663 S HN 0.821 nan 8.310 nan 0.000 0.506 664 T N 0.582 114.946 114.554 -0.316 0.000 3.012 664 T HA 0.703 5.053 4.350 -0.001 0.000 0.330 664 T C -0.338 174.292 174.700 -0.115 0.000 1.321 664 T CA -0.190 61.784 62.100 -0.211 0.000 1.067 664 T CB 1.349 70.146 68.868 -0.119 0.000 1.235 664 T HN 1.080 nan 8.240 nan 0.000 0.479 665 G N 0.423 109.172 108.800 -0.086 0.000 2.827 665 G HA2 0.617 4.576 3.960 -0.001 0.000 0.296 665 G HA3 0.617 4.576 3.960 -0.001 0.000 0.296 665 G C 0.806 175.686 174.900 -0.034 0.000 1.362 665 G CA -0.932 44.135 45.100 -0.055 0.000 0.809 665 G HN 0.714 nan 8.290 nan 0.000 0.522 666 I N 0.721 121.277 120.570 -0.024 0.000 2.335 666 I HA -0.123 4.046 4.170 -0.001 0.000 0.251 666 I C 2.870 178.981 176.117 -0.010 0.000 1.129 666 I CA 1.466 62.759 61.300 -0.011 0.000 1.402 666 I CB -0.552 37.443 38.000 -0.008 0.000 1.069 666 I HN 0.575 nan 8.210 nan 0.000 0.424 667 G N 1.218 110.007 108.800 -0.017 0.000 2.469 667 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.219 667 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.219 667 G C 1.258 176.153 174.900 -0.008 0.000 1.150 667 G CA 1.103 46.195 45.100 -0.014 0.000 0.763 667 G HN 0.392 nan 8.290 nan 0.000 0.561 668 D N 0.010 120.402 120.400 -0.014 0.000 2.310 668 D HA -0.088 4.551 4.640 -0.001 0.000 0.212 668 D C 2.477 178.782 176.300 0.010 0.000 0.965 668 D CA 1.543 55.542 54.000 -0.003 0.000 0.879 668 D CB -0.065 40.729 40.800 -0.010 0.000 0.921 668 D HN 0.545 nan 8.370 nan 0.000 0.510 669 T N -1.744 112.815 114.554 0.008 0.000 3.105 669 T HA 0.214 4.563 4.350 -0.001 0.000 0.253 669 T C 0.792 175.500 174.700 0.013 0.000 1.047 669 T CA -0.313 61.796 62.100 0.014 0.000 0.944 669 T CB -0.123 68.757 68.868 0.020 0.000 1.016 669 T HN -0.051 nan 8.240 nan 0.000 0.544 670 I N 2.416 122.992 120.570 0.010 0.000 2.315 670 I HA 0.593 4.763 4.170 -0.001 0.000 0.291 670 I C 0.472 176.596 176.117 0.013 0.000 1.006 670 I CA -1.116 60.190 61.300 0.010 0.000 1.265 670 I CB 1.277 39.281 38.000 0.007 0.000 1.387 670 I HN 0.195 nan 8.210 nan 0.000 0.475 671 A N 5.393 128.221 122.820 0.013 0.000 2.303 671 A HA 0.238 4.558 4.320 -0.001 0.000 0.317 671 A C -0.003 177.591 177.584 0.017 0.000 1.149 671 A CA -0.588 51.459 52.037 0.017 0.000 0.822 671 A CB 0.472 19.483 19.000 0.017 0.000 1.131 671 A HN 0.740 nan 8.150 nan 0.000 0.493 672 D N 1.215 121.627 120.400 0.019 0.000 2.703 672 D HA -0.072 4.568 4.640 -0.001 0.000 0.225 672 D C 1.620 177.930 176.300 0.017 0.000 1.119 672 D CA 1.501 55.512 54.000 0.018 0.000 0.845 672 D CB 0.745 41.558 40.800 0.021 0.000 1.182 672 D HN 0.660 nan 8.370 nan 0.000 0.493 673 G N 4.641 113.450 108.800 0.014 0.000 2.513 673 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.219 673 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.219 673 G C -0.670 174.238 174.900 0.015 0.000 1.160 673 G CA 0.619 45.727 45.100 0.013 0.000 0.767 673 G HN 0.519 nan 8.290 nan 0.000 0.571 674 P HA -0.037 nan 4.420 nan 0.000 0.217 674 P C 1.752 179.064 177.300 0.020 0.000 1.151 674 P CA 1.536 64.646 63.100 0.017 0.000 0.828 674 P CB -0.260 31.450 31.700 0.016 0.000 0.788 675 T N 0.315 114.882 114.554 0.021 0.000 2.684 675 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 675 T C 1.945 176.660 174.700 0.025 0.000 1.036 675 T CA 1.385 63.500 62.100 0.025 0.000 1.148 675 T CB -0.575 68.309 68.868 0.028 0.000 0.863 675 T HN -0.045 nan 8.240 nan 0.000 0.436 676 M N 0.636 120.249 119.600 0.021 0.000 2.202 676 M HA 0.009 4.488 4.480 -0.001 0.000 0.262 676 M C 2.232 178.545 176.300 0.021 0.000 1.063 676 M CA 1.267 56.579 55.300 0.019 0.000 1.097 676 M CB -0.915 31.694 32.600 0.015 0.000 1.382 676 M HN 0.151 nan 8.290 nan 0.000 0.413 677 R N -0.258 120.254 120.500 0.020 0.000 2.093 677 R HA -0.100 4.239 4.340 -0.001 0.000 0.224 677 R C 2.050 178.363 176.300 0.023 0.000 1.101 677 R CA 1.134 57.246 56.100 0.020 0.000 0.979 677 R CB -0.009 30.302 30.300 0.017 0.000 0.877 677 R HN 0.398 nan 8.270 nan 0.000 0.441 678 E N 0.149 120.363 120.200 0.024 0.000 2.204 678 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 678 E C 1.682 178.302 176.600 0.032 0.000 0.989 678 E CA 0.903 57.319 56.400 0.027 0.000 0.824 678 E CB 0.100 29.817 29.700 0.028 0.000 0.756 678 E HN 0.377 nan 8.360 nan 0.000 0.477 679 I N 0.082 120.672 120.570 0.034 0.000 2.333 679 I HA -0.189 3.981 4.170 -0.001 0.000 0.246 679 I C 2.238 178.381 176.117 0.044 0.000 1.106 679 I CA 0.997 62.322 61.300 0.040 0.000 1.411 679 I CB -0.197 37.823 38.000 0.033 0.000 1.082 679 I HN 0.098 nan 8.210 nan 0.000 0.420 680 T N 0.204 114.781 114.554 0.037 0.000 2.788 680 T HA -0.171 4.179 4.350 -0.001 0.000 0.268 680 T C 1.713 176.436 174.700 0.040 0.000 1.044 680 T CA 1.335 63.460 62.100 0.041 0.000 1.139 680 T CB -0.210 68.678 68.868 0.033 0.000 0.867 680 T HN 0.365 nan 8.240 nan 0.000 0.454 681 E N 0.487 120.705 120.200 0.030 0.000 2.106 681 E HA -0.069 4.281 4.350 -0.001 0.000 0.192 681 E C 2.436 179.048 176.600 0.020 0.000 0.984 681 E CA 1.170 57.583 56.400 0.022 0.000 0.806 681 E CB -0.159 29.552 29.700 0.017 0.000 0.750 681 E HN 0.315 nan 8.360 nan 0.000 0.458 682 T N 0.914 115.486 114.554 0.030 0.000 2.759 682 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 682 T C 1.844 176.564 174.700 0.033 0.000 1.042 682 T CA 0.885 63.004 62.100 0.032 0.000 1.140 682 T CB -0.092 68.805 68.868 0.048 0.000 0.864 682 T HN 0.112 nan 8.240 nan 0.000 0.455 683 I N 0.809 121.412 120.570 0.055 0.000 2.333 683 I HA -0.028 4.141 4.170 -0.001 0.000 0.246 683 I C 2.806 178.936 176.117 0.021 0.000 1.106 683 I CA 0.684 62.028 61.300 0.073 0.000 1.411 683 I CB -0.327 37.766 38.000 0.155 0.000 1.082 683 I HN 0.157 nan 8.210 nan 0.000 0.420 684 A N 0.134 122.969 122.820 0.024 0.000 1.972 684 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 684 A C 2.269 179.836 177.584 -0.029 0.000 1.169 684 A CA 1.775 53.816 52.037 0.005 0.000 0.635 684 A CB -0.561 18.447 19.000 0.014 0.000 0.810 684 A HN 0.477 nan 8.150 nan 0.000 0.446 685 E N -0.349 119.831 120.200 -0.034 0.000 2.152 685 E HA -0.048 4.302 4.350 -0.001 0.000 0.192 685 E C 2.076 178.605 176.600 -0.117 0.000 0.983 685 E CA 0.738 57.100 56.400 -0.064 0.000 0.818 685 E CB -0.167 29.505 29.700 -0.047 0.000 0.758 685 E HN 0.579 nan 8.360 nan 0.000 0.467 686 A N 1.387 124.140 122.820 -0.111 0.000 1.897 686 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 686 A C 1.949 179.412 177.584 -0.202 0.000 1.181 686 A CA 1.165 53.100 52.037 -0.171 0.000 0.620 686 A CB -0.220 18.693 19.000 -0.146 0.000 0.821 686 A HN 0.088 nan 8.150 nan 0.000 0.443 687 K N -0.009 120.301 120.400 -0.150 0.000 2.280 687 K HA -0.118 4.202 4.320 -0.001 0.000 0.202 687 K C 1.795 178.338 176.600 -0.095 0.000 1.047 687 K CA 1.365 57.582 56.287 -0.116 0.000 0.942 687 K CB -0.092 32.375 32.500 -0.055 0.000 0.739 687 K HN 0.482 nan 8.250 nan 0.000 0.457 688 K N 1.010 121.341 120.400 -0.114 0.000 2.021 688 K HA -0.043 4.277 4.320 -0.001 0.000 0.205 688 K C 1.921 178.421 176.600 -0.167 0.000 1.047 688 K CA 0.933 57.158 56.287 -0.104 0.000 0.943 688 K CB 0.017 32.462 32.500 -0.092 0.000 0.725 688 K HN -0.005 nan 8.250 nan 0.000 0.439 689 K N 0.833 121.048 120.400 -0.309 0.000 2.113 689 K HA -0.148 4.172 4.320 -0.001 0.000 0.208 689 K C 2.059 178.405 176.600 -0.423 0.000 1.047 689 K CA 1.439 57.392 56.287 -0.557 0.000 0.928 689 K CB -0.236 31.572 32.500 -1.153 0.000 0.716 689 K HN -0.043 nan 8.250 nan 0.000 0.446 690 V N 1.349 121.115 119.914 -0.246 0.000 2.427 690 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 690 V C 2.104 178.233 176.094 0.059 0.000 1.051 690 V CA 1.166 63.468 62.300 0.003 0.000 1.048 690 V CB -0.337 31.486 31.823 0.000 0.000 0.666 690 V HN 0.243 nan 8.190 nan 0.000 0.456 691 L N 0.381 121.612 121.223 0.013 0.000 2.093 691 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 691 L C 2.067 178.974 176.870 0.061 0.000 1.085 691 L CA 1.926 56.797 54.840 0.052 0.000 0.755 691 L CB -0.968 41.106 42.059 0.024 0.000 0.904 691 L HN 0.310 nan 8.230 nan 0.000 0.435 692 D N -0.687 119.727 120.400 0.023 0.000 2.084 692 D HA -0.141 4.499 4.640 -0.001 0.000 0.196 692 D C 2.261 178.617 176.300 0.093 0.000 0.985 692 D CA 1.799 55.820 54.000 0.034 0.000 0.826 692 D CB -0.325 40.470 40.800 -0.010 0.000 0.978 692 D HN 0.269 nan 8.370 nan 0.000 0.456 693 V N 1.308 121.310 119.914 0.146 0.000 2.546 693 V HA -0.236 3.883 4.120 -0.001 0.000 0.254 693 V C 2.469 178.754 176.094 0.317 0.000 1.076 693 V CA 1.786 64.233 62.300 0.245 0.000 1.087 693 V CB -0.955 31.061 31.823 0.322 0.000 0.674 693 V HN 0.201 nan 8.190 nan 0.000 0.470 694 T N -0.341 114.400 114.554 0.312 0.000 2.701 694 T HA -0.170 4.179 4.350 -0.001 0.000 0.263 694 T C 1.966 176.703 174.700 0.061 0.000 1.040 694 T CA 1.496 63.731 62.100 0.225 0.000 1.147 694 T CB -0.209 68.790 68.868 0.219 0.000 0.865 694 T HN 0.471 nan 8.240 nan 0.000 0.426 695 K N 0.889 121.329 120.400 0.067 0.000 2.103 695 K HA -0.129 4.191 4.320 -0.001 0.000 0.207 695 K C 2.419 179.033 176.600 0.022 0.000 1.048 695 K CA 1.230 57.537 56.287 0.033 0.000 0.930 695 K CB -0.108 32.413 32.500 0.035 0.000 0.716 695 K HN 0.419 nan 8.250 nan 0.000 0.444 696 E N 0.363 120.591 120.200 0.047 0.000 2.023 696 E HA -0.220 4.130 4.350 -0.001 0.000 0.196 696 E C 2.068 178.673 176.600 0.009 0.000 1.003 696 E CA 1.227 57.652 56.400 0.041 0.000 0.809 696 E CB -0.093 29.653 29.700 0.076 0.000 0.755 696 E HN 0.342 nan 8.360 nan 0.000 0.449 697 A N 0.931 123.747 122.820 -0.006 0.000 1.940 697 A HA -0.262 4.058 4.320 -0.001 0.000 0.219 697 A C 1.986 179.492 177.584 -0.130 0.000 1.176 697 A CA 1.645 53.619 52.037 -0.105 0.000 0.631 697 A CB -0.532 18.291 19.000 -0.295 0.000 0.814 697 A HN 0.298 nan 8.150 nan 0.000 0.446 698 Q N -0.906 118.828 119.800 -0.110 0.000 2.224 698 Q HA 0.016 4.355 4.340 -0.001 0.000 0.203 698 Q C 2.136 178.107 176.000 -0.048 0.000 0.970 698 Q CA 1.078 56.829 55.803 -0.087 0.000 0.865 698 Q CB -0.277 28.427 28.738 -0.057 0.000 0.922 698 Q HN 0.688 nan 8.270 nan 0.000 0.445 699 A N 1.062 123.863 122.820 -0.031 0.000 2.132 699 A HA -0.044 4.276 4.320 -0.001 0.000 0.213 699 A C 0.774 178.346 177.584 -0.020 0.000 1.154 699 A CA 0.605 52.632 52.037 -0.017 0.000 0.753 699 A CB 0.095 19.092 19.000 -0.005 0.000 0.826 699 A HN 0.447 nan 8.150 nan 0.000 0.469 700 N N -1.947 116.735 118.700 -0.030 0.000 2.920 700 N HA -0.123 4.617 4.740 -0.001 0.000 0.247 700 N C 0.149 175.651 175.510 -0.014 0.000 1.123 700 N CA 0.910 53.942 53.050 -0.030 0.000 0.711 700 N CB -1.963 36.508 38.487 -0.026 0.000 1.065 700 N HN 0.400 nan 8.380 nan 0.000 0.554 701 L N -0.514 120.706 121.223 -0.005 0.000 2.554 701 L HA 0.277 4.617 4.340 -0.001 0.000 0.225 701 L C 0.910 177.790 176.870 0.017 0.000 1.104 701 L CA -0.006 54.838 54.840 0.008 0.000 0.866 701 L CB 0.056 42.123 42.059 0.014 0.000 1.047 701 L HN 0.148 nan 8.230 nan 0.000 0.468 702 L N 0.634 121.868 121.223 0.018 0.000 2.416 702 L HA 0.152 4.492 4.340 -0.001 0.000 0.272 702 L C 0.057 176.940 176.870 0.023 0.000 1.161 702 L CA 0.136 54.996 54.840 0.035 0.000 0.845 702 L CB 0.863 42.954 42.059 0.054 0.000 1.119 702 L HN 0.021 nan 8.230 nan 0.000 0.464 703 T N 2.271 116.841 114.554 0.027 0.000 2.795 703 T HA 0.508 4.858 4.350 -0.001 0.000 0.282 703 T C 0.227 174.940 174.700 0.022 0.000 0.980 703 T CA -0.614 61.498 62.100 0.020 0.000 1.012 703 T CB 1.636 70.515 68.868 0.019 0.000 0.936 703 T HN 0.682 nan 8.240 nan 0.000 0.457 704 A N 3.627 126.456 122.820 0.015 0.000 2.425 704 A HA 0.380 4.699 4.320 -0.001 0.000 0.249 704 A C 0.294 177.889 177.584 0.019 0.000 1.084 704 A CA -0.457 51.587 52.037 0.012 0.000 0.781 704 A CB 0.088 19.087 19.000 -0.002 0.000 1.019 704 A HN 0.806 nan 8.150 nan 0.000 0.490 705 K N 1.693 122.104 120.400 0.017 0.000 2.276 705 K HA 0.172 4.492 4.320 -0.001 0.000 0.283 705 K C -0.099 176.525 176.600 0.040 0.000 1.044 705 K CA -0.376 55.931 56.287 0.034 0.000 0.944 705 K CB 0.534 33.049 32.500 0.025 0.000 1.012 705 K HN 0.854 nan 8.250 nan 0.000 0.472 706 H N 1.254 120.313 119.070 -0.020 0.000 3.190 706 H HA -0.110 4.446 4.556 -0.001 0.000 0.308 706 H C 1.137 176.455 175.328 -0.017 0.000 0.972 706 H CA 2.077 58.110 56.048 -0.024 0.000 1.349 706 H CB 0.166 29.906 29.762 -0.036 0.000 1.267 706 H HN 0.863 nan 8.280 nan 0.000 0.584 707 G N 3.990 112.378 108.800 -0.686 0.000 2.305 707 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.287 707 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.287 707 G C -0.073 174.725 174.900 -0.170 0.000 1.036 707 G CA 0.606 45.457 45.100 -0.416 0.000 0.887 707 G HN 0.673 nan 8.290 nan 0.000 0.505 708 M N -0.736 118.787 119.600 -0.129 0.000 2.471 708 M HA 0.284 4.763 4.480 -0.001 0.000 0.284 708 M C -0.077 176.195 176.300 -0.047 0.000 1.203 708 M CA -0.628 54.634 55.300 -0.063 0.000 0.915 708 M CB 2.143 34.722 32.600 -0.034 0.000 1.734 708 M HN 0.093 nan 8.290 nan 0.000 0.485 709 T N 1.714 116.250 114.554 -0.030 0.000 2.899 709 T HA 0.295 4.644 4.350 -0.001 0.000 0.284 709 T C 1.159 175.856 174.700 -0.005 0.000 1.004 709 T CA -0.747 61.341 62.100 -0.020 0.000 1.043 709 T CB 1.001 69.859 68.868 -0.016 0.000 1.013 709 T HN 0.393 nan 8.240 nan 0.000 0.518 710 L N 1.521 122.738 121.223 -0.009 0.000 1.971 710 L HA -0.098 4.242 4.340 -0.001 0.000 0.215 710 L C 2.710 179.596 176.870 0.028 0.000 1.072 710 L CA 1.806 56.645 54.840 -0.001 0.000 0.758 710 L CB -1.011 41.027 42.059 -0.036 0.000 0.889 710 L HN 0.605 nan 8.230 nan 0.000 0.433 711 R N -0.592 119.906 120.500 -0.003 0.000 2.091 711 R HA -0.188 4.151 4.340 -0.001 0.000 0.238 711 R C 2.145 178.498 176.300 0.089 0.000 1.136 711 R CA 1.524 57.642 56.100 0.030 0.000 0.959 711 R CB -0.399 29.892 30.300 -0.015 0.000 0.856 711 R HN 0.539 nan 8.270 nan 0.000 0.437 712 E N 0.305 120.528 120.200 0.038 0.000 2.051 712 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 712 E C 2.118 178.730 176.600 0.019 0.000 0.991 712 E CA 1.768 58.181 56.400 0.022 0.000 0.799 712 E CB -0.074 29.625 29.700 -0.002 0.000 0.748 712 E HN 0.382 nan 8.360 nan 0.000 0.449 713 S N 0.482 116.197 115.700 0.026 0.000 2.453 713 S HA -0.124 4.346 4.470 -0.001 0.000 0.231 713 S C 1.817 176.425 174.600 0.014 0.000 1.005 713 S CA 0.324 58.528 58.200 0.005 0.000 0.949 713 S CB -0.377 62.828 63.200 0.009 0.000 0.774 713 S HN 0.283 nan 8.310 nan 0.000 0.510 714 F N 3.276 123.184 119.950 -0.070 0.000 2.031 714 F HA -0.042 4.484 4.527 -0.001 0.000 0.295 714 F C 2.442 178.195 175.800 -0.078 0.000 1.133 714 F CA 1.921 59.877 58.000 -0.073 0.000 1.188 714 F CB -0.607 38.339 39.000 -0.091 0.000 0.974 714 F HN 0.044 nan 8.300 nan 0.000 0.473 715 E N 0.463 120.581 120.200 -0.137 0.000 2.086 715 E HA -0.304 4.046 4.350 -0.001 0.000 0.200 715 E C 1.956 178.397 176.600 -0.264 0.000 1.012 715 E CA 1.804 58.070 56.400 -0.224 0.000 0.812 715 E CB -0.878 28.802 29.700 -0.034 0.000 0.743 715 E HN 0.518 nan 8.360 nan 0.000 0.453 716 D N 0.585 120.873 120.400 -0.188 0.000 2.106 716 D HA -0.159 4.481 4.640 -0.001 0.000 0.191 716 D C 1.596 177.709 176.300 -0.312 0.000 0.997 716 D CA 1.279 55.165 54.000 -0.190 0.000 0.834 716 D CB -0.200 40.523 40.800 -0.129 0.000 0.956 716 D HN 0.071 nan 8.370 nan 0.000 0.448 717 N N -0.245 118.211 118.700 -0.406 0.000 2.120 717 N HA -0.114 4.626 4.740 -0.001 0.000 0.188 717 N C 2.057 177.018 175.510 -0.914 0.000 1.024 717 N CA 0.678 53.306 53.050 -0.703 0.000 0.852 717 N CB -0.478 37.653 38.487 -0.593 0.000 1.003 717 N HN 0.161 nan 8.380 nan 0.000 0.424 718 V N 1.031 120.588 119.914 -0.595 0.000 2.295 718 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 718 V C 2.479 178.429 176.094 -0.240 0.000 1.049 718 V CA 1.171 63.261 62.300 -0.350 0.000 1.024 718 V CB -0.499 31.050 31.823 -0.456 0.000 0.648 718 V HN 0.057 nan 8.190 nan 0.000 0.447 719 V N -0.027 119.742 119.914 -0.242 0.000 2.407 719 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 719 V C 2.584 178.602 176.094 -0.126 0.000 1.055 719 V CA 2.347 64.566 62.300 -0.135 0.000 1.049 719 V CB -0.779 30.981 31.823 -0.105 0.000 0.662 719 V HN 0.514 nan 8.190 nan 0.000 0.455 720 R N -0.481 119.879 120.500 -0.233 0.000 2.081 720 R HA -0.165 4.175 4.340 -0.001 0.000 0.235 720 R C 2.336 178.589 176.300 -0.078 0.000 1.131 720 R CA 1.924 57.910 56.100 -0.190 0.000 0.960 720 R CB -0.383 29.739 30.300 -0.297 0.000 0.856 720 R HN 0.509 nan 8.270 nan 0.000 0.436 721 F N 0.742 120.642 119.950 -0.083 0.000 2.102 721 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 721 F C 2.274 178.012 175.800 -0.104 0.000 1.105 721 F CA 0.682 58.626 58.000 -0.093 0.000 1.239 721 F CB -0.187 38.736 39.000 -0.128 0.000 0.991 721 F HN 0.019 nan 8.300 nan 0.000 0.474 722 L N -0.127 121.129 121.223 0.056 0.000 2.201 722 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 722 L C 1.876 178.817 176.870 0.119 0.000 1.105 722 L CA 0.739 55.544 54.840 -0.057 0.000 0.775 722 L CB -0.546 41.431 42.059 -0.136 0.000 0.913 722 L HN 0.189 nan 8.230 nan 0.000 0.440 723 N N -0.313 118.448 118.700 0.101 0.000 2.290 723 N HA -0.113 4.626 4.740 -0.001 0.000 0.179 723 N C 1.680 177.262 175.510 0.120 0.000 1.016 723 N CA 0.725 53.847 53.050 0.120 0.000 0.871 723 N CB 0.026 38.559 38.487 0.076 0.000 0.987 723 N HN 0.331 nan 8.380 nan 0.000 0.431 724 E N 1.014 121.276 120.200 0.103 0.000 2.130 724 E HA -0.162 4.188 4.350 -0.001 0.000 0.196 724 E C 1.812 178.479 176.600 0.112 0.000 0.998 724 E CA 1.230 57.692 56.400 0.104 0.000 0.806 724 E CB -0.000 29.770 29.700 0.118 0.000 0.738 724 E HN 0.337 nan 8.360 nan 0.000 0.459 725 A N 1.355 124.244 122.820 0.116 0.000 1.841 725 A HA -0.212 4.108 4.320 -0.001 0.000 0.214 725 A C 2.095 179.780 177.584 0.168 0.000 1.195 725 A CA 1.574 53.685 52.037 0.123 0.000 0.611 725 A CB -0.538 18.517 19.000 0.092 0.000 0.835 725 A HN 0.122 nan 8.150 nan 0.000 0.443 726 R N -0.324 120.304 120.500 0.215 0.000 2.096 726 R HA -0.220 4.119 4.340 -0.001 0.000 0.240 726 R C 1.551 177.942 176.300 0.151 0.000 1.139 726 R CA 2.225 58.425 56.100 0.167 0.000 0.952 726 R CB -0.531 29.855 30.300 0.144 0.000 0.854 726 R HN 0.482 nan 8.270 nan 0.000 0.436 727 D N 0.572 121.083 120.400 0.185 0.000 2.078 727 D HA -0.198 4.442 4.640 -0.001 0.000 0.193 727 D C 1.883 178.341 176.300 0.263 0.000 0.990 727 D CA 2.069 56.230 54.000 0.268 0.000 0.827 727 D CB -0.252 40.667 40.800 0.197 0.000 0.975 727 D HN 0.502 nan 8.370 nan 0.000 0.451 728 K N 0.824 121.321 120.400 0.161 0.000 2.147 728 K HA 0.034 4.353 4.320 -0.001 0.000 0.205 728 K C 2.102 178.786 176.600 0.141 0.000 1.049 728 K CA 1.382 57.745 56.287 0.127 0.000 0.936 728 K CB -0.194 32.356 32.500 0.084 0.000 0.722 728 K HN 0.040 nan 8.250 nan 0.000 0.446 729 A N 1.848 124.749 122.820 0.135 0.000 1.933 729 A HA -0.013 4.307 4.320 -0.001 0.000 0.218 729 A C 2.523 180.174 177.584 0.112 0.000 1.175 729 A CA 1.597 53.697 52.037 0.104 0.000 0.628 729 A CB -1.213 17.839 19.000 0.087 0.000 0.814 729 A HN 0.533 nan 8.150 nan 0.000 0.444 730 G N -0.663 108.236 108.800 0.165 0.000 2.408 730 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 730 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 730 G C 1.749 176.904 174.900 0.425 0.000 1.150 730 G CA 0.723 45.898 45.100 0.124 0.000 0.776 730 G HN 0.553 nan 8.290 nan 0.000 0.542 731 R N -0.197 120.609 120.500 0.510 0.000 2.092 731 R HA 0.118 4.458 4.340 -0.001 0.000 0.231 731 R C 2.532 178.947 176.300 0.191 0.000 1.119 731 R CA 0.610 56.902 56.100 0.320 0.000 0.970 731 R CB -0.426 29.931 30.300 0.096 0.000 0.864 731 R HN 0.323 nan 8.270 nan 0.000 0.440 732 L N 0.118 121.427 121.223 0.143 0.000 2.131 732 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 732 L C 2.562 179.484 176.870 0.087 0.000 1.092 732 L CA 1.156 56.052 54.840 0.093 0.000 0.759 732 L CB -0.490 41.612 42.059 0.072 0.000 0.903 732 L HN 0.253 nan 8.230 nan 0.000 0.435 733 A N -0.339 122.538 122.820 0.096 0.000 1.930 733 A HA -0.187 4.133 4.320 -0.001 0.000 0.215 733 A C 2.243 179.880 177.584 0.087 0.000 1.176 733 A CA 1.230 53.308 52.037 0.067 0.000 0.632 733 A CB -0.311 18.706 19.000 0.029 0.000 0.819 733 A HN 0.424 nan 8.150 nan 0.000 0.445 734 E N -0.013 120.276 120.200 0.149 0.000 2.031 734 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 734 E C 1.832 178.499 176.600 0.112 0.000 0.994 734 E CA 1.641 58.141 56.400 0.167 0.000 0.800 734 E CB -0.185 29.697 29.700 0.304 0.000 0.752 734 E HN 0.240 nan 8.360 nan 0.000 0.447 735 V N 2.048 122.022 119.914 0.099 0.000 2.332 735 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 735 V C 2.418 178.546 176.094 0.056 0.000 1.055 735 V CA 1.962 64.301 62.300 0.066 0.000 1.038 735 V CB -0.856 31.000 31.823 0.054 0.000 0.651 735 V HN 0.415 nan 8.190 nan 0.000 0.450 736 N N 0.684 119.417 118.700 0.056 0.000 1.997 736 N HA -0.152 4.587 4.740 -0.001 0.000 0.198 736 N C 0.731 176.267 175.510 0.045 0.000 1.063 736 N CA 1.101 54.178 53.050 0.045 0.000 0.860 736 N CB -0.778 37.734 38.487 0.042 0.000 1.063 736 N HN 0.419 nan 8.380 nan 0.000 0.424 737 L N 1.655 122.906 121.223 0.048 0.000 2.954 737 L HA -0.206 4.134 4.340 -0.001 0.000 0.316 737 L C 0.917 177.815 176.870 0.048 0.000 1.192 737 L CA 0.544 55.412 54.840 0.047 0.000 0.863 737 L CB -0.274 41.818 42.059 0.055 0.000 1.198 737 L HN 0.307 nan 8.230 nan 0.000 0.519 738 K N 2.559 122.986 120.400 0.044 0.000 2.155 738 K HA 0.126 4.446 4.320 -0.001 0.000 0.237 738 K C 0.381 177.013 176.600 0.054 0.000 1.040 738 K CA -0.883 55.431 56.287 0.045 0.000 0.912 738 K CB 0.537 33.060 32.500 0.039 0.000 1.137 738 K HN 0.435 nan 8.250 nan 0.000 0.498 739 D N 0.517 120.949 120.400 0.054 0.000 2.363 739 D HA -0.025 4.615 4.640 -0.001 0.000 0.226 739 D C 1.136 177.483 176.300 0.078 0.000 1.020 739 D CA 0.636 54.674 54.000 0.064 0.000 0.892 739 D CB 0.116 40.951 40.800 0.058 0.000 0.900 739 D HN 0.191 nan 8.370 nan 0.000 0.531 740 L N 0.025 121.289 121.223 0.069 0.000 2.249 740 L HA 0.064 4.404 4.340 -0.001 0.000 0.207 740 L C 0.815 177.728 176.870 0.071 0.000 1.090 740 L CA 0.088 54.970 54.840 0.070 0.000 0.802 740 L CB -1.226 40.861 42.059 0.047 0.000 0.947 740 L HN -0.114 nan 8.230 nan 0.000 0.453 741 N N 1.152 119.889 118.700 0.062 0.000 2.315 741 N HA -0.138 4.602 4.740 -0.001 0.000 0.270 741 N C 1.168 176.735 175.510 0.094 0.000 1.329 741 N CA 0.071 53.155 53.050 0.057 0.000 0.860 741 N CB 0.269 38.789 38.487 0.056 0.000 1.095 741 N HN 0.134 nan 8.380 nan 0.000 0.487 742 N N 2.845 121.582 118.700 0.062 0.000 2.166 742 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 742 N C 1.359 177.003 175.510 0.224 0.000 1.019 742 N CA 0.892 54.017 53.050 0.126 0.000 0.856 742 N CB -0.112 38.263 38.487 -0.186 0.000 0.993 742 N HN 0.331 nan 8.380 nan 0.000 0.426 743 V N 1.699 121.684 119.914 0.119 0.000 2.343 743 V HA -0.215 3.905 4.120 -0.001 0.000 0.247 743 V C 2.488 178.656 176.094 0.125 0.000 1.051 743 V CA 1.534 63.905 62.300 0.118 0.000 1.036 743 V CB -0.436 31.429 31.823 0.071 0.000 0.654 743 V HN 0.334 nan 8.190 nan 0.000 0.451 744 K N -0.490 119.977 120.400 0.112 0.000 2.148 744 K HA -0.189 4.131 4.320 -0.001 0.000 0.204 744 K C 2.239 178.904 176.600 0.109 0.000 1.050 744 K CA 1.320 57.668 56.287 0.101 0.000 0.942 744 K CB -0.086 32.467 32.500 0.087 0.000 0.724 744 K HN 0.516 nan 8.250 nan 0.000 0.446 745 Q N -0.058 119.835 119.800 0.155 0.000 2.124 745 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 745 Q C 2.112 178.148 176.000 0.060 0.000 0.977 745 Q CA 1.751 57.637 55.803 0.138 0.000 0.850 745 Q CB -0.036 28.864 28.738 0.271 0.000 0.901 745 Q HN 0.417 nan 8.270 nan 0.000 0.429 746 M N -0.443 119.220 119.600 0.106 0.000 2.175 746 M HA -0.137 4.342 4.480 -0.001 0.000 0.264 746 M C 2.168 178.487 176.300 0.033 0.000 1.063 746 M CA 0.932 56.253 55.300 0.035 0.000 1.119 746 M CB 0.011 32.677 32.600 0.109 0.000 1.377 746 M HN 0.052 nan 8.290 nan 0.000 0.415 747 V N 0.320 120.270 119.914 0.060 0.000 2.427 747 V HA -0.232 3.887 4.120 -0.001 0.000 0.248 747 V C 2.272 178.389 176.094 0.039 0.000 1.051 747 V CA 1.516 63.849 62.300 0.055 0.000 1.048 747 V CB -0.425 31.443 31.823 0.075 0.000 0.666 747 V HN 0.501 nan 8.190 nan 0.000 0.456 748 M N -0.500 119.121 119.600 0.035 0.000 2.319 748 M HA -0.069 4.410 4.480 -0.001 0.000 0.265 748 M C 2.206 178.506 176.300 0.001 0.000 1.068 748 M CA 1.722 57.035 55.300 0.022 0.000 1.118 748 M CB -0.371 32.245 32.600 0.025 0.000 1.395 748 M HN 0.401 nan 8.290 nan 0.000 0.435 749 A N -0.556 122.255 122.820 -0.015 0.000 1.975 749 A HA 0.279 4.598 4.320 -0.001 0.000 0.215 749 A C 1.898 179.469 177.584 -0.023 0.000 1.170 749 A CA 1.436 53.451 52.037 -0.036 0.000 0.656 749 A CB -0.407 18.549 19.000 -0.074 0.000 0.821 749 A HN 0.583 nan 8.150 nan 0.000 0.449 750 G N -1.163 107.632 108.800 -0.008 0.000 2.253 750 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.209 750 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.209 750 G C 0.511 175.414 174.900 0.005 0.000 0.997 750 G CA 0.416 45.517 45.100 0.002 0.000 0.640 750 G HN 1.497 nan 8.290 nan 0.000 0.496 751 S N 1.218 116.914 115.700 -0.005 0.000 2.528 751 S HA 0.560 5.030 4.470 -0.001 0.000 0.277 751 S C 0.456 175.066 174.600 0.017 0.000 1.297 751 S CA 0.245 58.445 58.200 0.000 0.000 1.052 751 S CB 1.187 64.373 63.200 -0.024 0.000 0.917 751 S HN 0.641 nan 8.310 nan 0.000 0.492 752 K N 1.562 121.977 120.400 0.026 0.000 2.489 752 K HA 0.001 4.321 4.320 -0.001 0.000 0.275 752 K C 0.569 177.196 176.600 0.044 0.000 1.154 752 K CA 1.311 57.619 56.287 0.034 0.000 1.125 752 K CB -1.027 31.496 32.500 0.038 0.000 0.808 752 K HN 1.353 nan 8.250 nan 0.000 0.428 753 G N 0.114 108.940 108.800 0.044 0.000 2.359 753 G HA2 0.337 4.297 3.960 -0.001 0.000 0.314 753 G HA3 0.337 4.297 3.960 -0.001 0.000 0.314 753 G C -1.271 173.664 174.900 0.058 0.000 1.364 753 G CA -0.279 44.852 45.100 0.052 0.000 0.978 753 G HN 1.287 nan 8.290 nan 0.000 0.615 754 S N -1.404 114.338 115.700 0.070 0.000 2.712 754 S HA 0.481 4.951 4.470 -0.001 0.000 0.279 754 S C 0.345 175.018 174.600 0.121 0.000 1.025 754 S CA 0.484 58.743 58.200 0.099 0.000 0.861 754 S CB 0.431 63.682 63.200 0.086 0.000 1.091 754 S HN 2.059 nan 8.310 nan 0.000 0.457 755 F N 2.320 122.287 119.950 0.028 0.000 2.027 755 F HA -0.056 4.471 4.527 -0.001 0.000 0.297 755 F C 2.076 177.894 175.800 0.029 0.000 1.129 755 F CA 2.175 60.191 58.000 0.027 0.000 1.195 755 F CB -0.341 38.673 39.000 0.023 0.000 0.960 755 F HN 0.674 nan 8.300 nan 0.000 0.485 756 I N 1.279 121.800 120.570 -0.082 0.000 2.229 756 I HA -0.402 3.768 4.170 -0.001 0.000 0.250 756 I C 1.993 178.005 176.117 -0.176 0.000 1.096 756 I CA 1.715 62.914 61.300 -0.168 0.000 1.358 756 I CB -1.201 36.809 38.000 0.017 0.000 1.047 756 I HN 0.347 nan 8.210 nan 0.000 0.422 757 N N 0.666 119.315 118.700 -0.085 0.000 2.080 757 N HA -0.114 4.626 4.740 -0.001 0.000 0.189 757 N C 1.964 177.430 175.510 -0.073 0.000 1.036 757 N CA 1.361 54.390 53.050 -0.035 0.000 0.846 757 N CB -0.353 38.140 38.487 0.011 0.000 1.015 757 N HN 0.385 nan 8.380 nan 0.000 0.423 758 I N 1.393 121.896 120.570 -0.111 0.000 2.335 758 I HA -0.231 3.939 4.170 -0.001 0.000 0.251 758 I C 2.281 178.277 176.117 -0.203 0.000 1.129 758 I CA 0.819 62.053 61.300 -0.111 0.000 1.402 758 I CB -0.247 37.710 38.000 -0.072 0.000 1.069 758 I HN 0.076 nan 8.210 nan 0.000 0.424 759 A N 0.201 122.778 122.820 -0.405 0.000 1.898 759 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 759 A C 2.253 179.681 177.584 -0.260 0.000 1.181 759 A CA 1.247 53.021 52.037 -0.438 0.000 0.620 759 A CB -0.409 18.130 19.000 -0.768 0.000 0.819 759 A HN 0.460 nan 8.150 nan 0.000 0.442 760 Q N -1.129 118.540 119.800 -0.217 0.000 2.187 760 Q HA 0.037 4.377 4.340 -0.001 0.000 0.199 760 Q C 2.122 178.013 176.000 -0.182 0.000 0.957 760 Q CA 1.092 56.749 55.803 -0.243 0.000 0.857 760 Q CB -0.167 28.461 28.738 -0.183 0.000 0.929 760 Q HN 0.682 nan 8.270 nan 0.000 0.453 761 M N -0.204 119.396 119.600 -0.001 0.000 2.134 761 M HA -0.095 4.385 4.480 -0.001 0.000 0.262 761 M C 2.129 178.435 176.300 0.010 0.000 1.076 761 M CA 1.291 56.648 55.300 0.096 0.000 1.143 761 M CB 0.086 32.742 32.600 0.094 0.000 1.346 761 M HN 0.054 nan 8.290 nan 0.000 0.421 762 S N 0.066 115.747 115.700 -0.031 0.000 2.387 762 S HA 0.221 4.691 4.470 -0.001 0.000 0.221 762 S C 0.967 175.539 174.600 -0.047 0.000 1.041 762 S CA 0.561 58.744 58.200 -0.029 0.000 0.959 762 S CB -0.004 63.183 63.200 -0.021 0.000 0.843 762 S HN 0.447 nan 8.310 nan 0.000 0.488 763 A N 0.316 123.089 122.820 -0.078 0.000 2.869 763 A HA 0.560 4.880 4.320 -0.001 0.000 0.244 763 A C 0.343 177.853 177.584 -0.122 0.000 1.374 763 A CA -0.575 51.420 52.037 -0.070 0.000 0.913 763 A CB -0.462 18.511 19.000 -0.045 0.000 1.589 763 A HN 0.412 nan 8.150 nan 0.000 0.485 764 C N -0.360 118.877 119.300 -0.105 0.000 2.431 764 C HA 0.152 4.612 4.460 -0.001 0.000 0.397 764 C C 1.917 176.740 174.990 -0.278 0.000 1.436 764 C CA 0.524 59.438 59.018 -0.173 0.000 1.596 764 C CB -1.075 26.616 27.740 -0.082 0.000 2.550 764 C HN 0.518 nan 8.230 nan 0.000 0.596 765 V N 6.122 125.790 119.914 -0.409 0.000 2.407 765 V HA 0.270 4.390 4.120 -0.001 0.000 0.245 765 V C 1.488 177.351 176.094 -0.385 0.000 1.041 765 V CA 2.019 64.015 62.300 -0.507 0.000 1.040 765 V CB -1.225 30.175 31.823 -0.705 0.000 0.671 765 V HN 1.536 nan 8.190 nan 0.000 0.455 766 G N -0.288 108.234 108.800 -0.462 0.000 2.422 766 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.607 766 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.607 766 G C -0.718 174.002 174.900 -0.301 0.000 1.270 766 G CA -0.120 44.777 45.100 -0.338 0.000 0.992 766 G HN 0.429 nan 8.290 nan 0.000 0.499 767 Q N 0.316 120.130 119.800 0.023 0.000 2.286 767 Q HA 0.572 4.912 4.340 -0.001 0.000 0.257 767 Q C 0.432 176.459 176.000 0.045 0.000 0.941 767 Q CA -0.073 55.805 55.803 0.124 0.000 0.912 767 Q CB 0.785 29.654 28.738 0.218 0.000 1.192 767 Q HN 0.535 nan 8.270 nan 0.000 0.410 768 Q N 1.444 121.272 119.800 0.046 0.000 2.249 768 Q HA 0.634 4.974 4.340 -0.001 0.000 0.226 768 Q C -0.854 175.162 176.000 0.027 0.000 0.983 768 Q CA -0.160 55.678 55.803 0.058 0.000 0.930 768 Q CB 1.694 30.498 28.738 0.110 0.000 1.193 768 Q HN 0.837 nan 8.270 nan 0.000 0.508 769 S N -1.624 114.090 115.700 0.024 0.000 2.578 769 S HA 0.552 5.021 4.470 -0.001 0.000 0.285 769 S C -1.296 173.304 174.600 0.000 0.000 1.126 769 S CA -0.890 57.310 58.200 -0.000 0.000 0.878 769 S CB 0.745 63.946 63.200 0.001 0.000 1.091 769 S HN 0.189 nan 8.310 nan 0.000 0.450 770 V N 2.130 122.037 119.914 -0.011 0.000 2.531 770 V HA 0.596 4.715 4.120 -0.001 0.000 0.301 770 V C 0.201 176.288 176.094 -0.013 0.000 1.034 770 V CA -0.452 61.843 62.300 -0.009 0.000 0.865 770 V CB 1.001 32.822 31.823 -0.004 0.000 0.995 770 V HN 1.161 nan 8.190 nan 0.000 0.424 771 E N 3.377 123.571 120.200 -0.011 0.000 2.320 771 E HA -0.266 4.084 4.350 -0.001 0.000 0.234 771 E C 1.240 177.832 176.600 -0.013 0.000 1.183 771 E CA 0.603 56.996 56.400 -0.011 0.000 0.713 771 E CB -1.119 28.574 29.700 -0.011 0.000 1.226 771 E HN 1.525 nan 8.360 nan 0.000 0.382 772 G N -0.289 108.504 108.800 -0.011 0.000 2.196 772 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.268 772 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.268 772 G C 0.258 175.146 174.900 -0.020 0.000 0.975 772 G CA 1.341 46.434 45.100 -0.012 0.000 0.648 772 G HN 0.357 nan 8.290 nan 0.000 0.538 773 K N -0.556 119.828 120.400 -0.026 0.000 2.346 773 K HA 0.649 4.969 4.320 -0.001 0.000 0.238 773 K C 0.620 177.191 176.600 -0.049 0.000 1.039 773 K CA -1.215 55.049 56.287 -0.039 0.000 0.861 773 K CB 1.346 33.818 32.500 -0.046 0.000 1.278 773 K HN 0.102 nan 8.250 nan 0.000 0.460 774 R N 0.586 121.046 120.500 -0.066 0.000 2.726 774 R HA 0.207 4.546 4.340 -0.001 0.000 0.272 774 R C 0.406 176.630 176.300 -0.125 0.000 1.097 774 R CA -0.681 55.366 56.100 -0.087 0.000 1.198 774 R CB 0.056 30.303 30.300 -0.088 0.000 1.114 774 R HN 0.414 nan 8.270 nan 0.000 0.550 775 I N 1.613 122.070 120.570 -0.188 0.000 2.821 775 I HA -0.091 4.078 4.170 -0.001 0.000 0.294 775 I C 1.028 177.054 176.117 -0.151 0.000 1.210 775 I CA 0.315 61.496 61.300 -0.197 0.000 1.430 775 I CB -0.640 37.079 38.000 -0.468 0.000 1.356 775 I HN 0.626 nan 8.210 nan 0.000 0.563 776 A N 7.443 130.225 122.820 -0.064 0.000 2.287 776 A HA 0.432 4.751 4.320 -0.001 0.000 0.273 776 A C 0.074 177.746 177.584 0.147 0.000 1.091 776 A CA -0.521 51.478 52.037 -0.065 0.000 0.817 776 A CB 0.164 19.146 19.000 -0.031 0.000 1.069 776 A HN 0.588 nan 8.150 nan 0.000 0.492 777 F N 1.803 121.757 119.950 0.007 0.000 2.685 777 F HA 0.131 4.657 4.527 -0.001 0.000 0.349 777 F C 1.770 177.617 175.800 0.077 0.000 1.294 777 F CA -0.207 57.818 58.000 0.041 0.000 1.201 777 F CB 0.068 39.069 39.000 0.002 0.000 1.615 777 F HN 0.848 nan 8.300 nan 0.000 0.674 778 G N 2.444 111.414 108.800 0.282 0.000 2.408 778 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.217 778 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.217 778 G C 0.432 175.339 174.900 0.013 0.000 1.150 778 G CA 0.228 45.392 45.100 0.107 0.000 0.776 778 G HN 0.295 nan 8.290 nan 0.000 0.542 779 F N -0.535 119.479 119.950 0.107 0.000 2.380 779 F HA 0.435 4.962 4.527 -0.001 0.000 0.319 779 F C 0.606 176.422 175.800 0.027 0.000 1.113 779 F CA -0.974 57.056 58.000 0.051 0.000 1.056 779 F CB 1.295 40.310 39.000 0.026 0.000 1.289 779 F HN -0.276 nan 8.300 nan 0.000 0.515 780 V N 2.549 122.587 119.914 0.206 0.000 2.420 780 V HA -0.018 4.102 4.120 -0.001 0.000 0.274 780 V C -0.356 175.732 176.094 -0.011 0.000 1.003 780 V CA 0.172 62.530 62.300 0.097 0.000 1.092 780 V CB -0.749 31.116 31.823 0.070 0.000 1.002 780 V HN 0.815 nan 8.190 nan 0.000 0.473 781 D N 3.176 123.538 120.400 -0.064 0.000 2.945 781 D HA -0.178 4.462 4.640 -0.001 0.000 0.225 781 D C 0.368 176.014 176.300 -1.090 0.000 1.158 781 D CA 1.349 55.081 54.000 -0.447 0.000 0.805 781 D CB -0.652 40.016 40.800 -0.219 0.000 1.098 781 D HN 0.955 nan 8.370 nan 0.000 0.426 782 R N -3.161 116.861 120.500 -0.798 0.000 2.687 782 R HA 0.486 4.826 4.340 -0.001 0.000 0.265 782 R C 0.873 177.196 176.300 0.038 0.000 1.048 782 R CA -0.418 55.328 56.100 -0.591 0.000 0.884 782 R CB 0.241 30.382 30.300 -0.265 0.000 1.258 782 R HN -0.116 nan 8.270 nan 0.000 0.469 783 T N -1.041 113.626 114.554 0.188 0.000 2.978 783 T HA 0.257 4.607 4.350 -0.001 0.000 0.262 783 T C 0.779 175.848 174.700 0.614 0.000 1.063 783 T CA 0.439 62.809 62.100 0.450 0.000 1.140 783 T CB 0.012 69.099 68.868 0.365 0.000 0.886 783 T HN 0.353 nan 8.240 nan 0.000 0.470 784 L N 0.803 122.305 121.223 0.465 0.000 2.469 784 L HA 0.394 4.734 4.340 -0.001 0.000 0.256 784 L C -2.017 174.716 176.870 -0.228 0.000 1.006 784 L CA -2.449 52.523 54.840 0.220 0.000 0.832 784 L CB 2.882 45.227 42.059 0.478 0.000 1.421 784 L HN -0.276 nan 8.230 nan 0.000 0.410 785 P HA -0.129 nan 4.420 nan 0.000 0.234 785 P C 0.765 177.749 177.300 -0.526 0.000 1.167 785 P CA 1.163 63.805 63.100 -0.763 0.000 0.763 785 P CB 0.036 31.209 31.700 -0.878 0.000 0.835 786 H N -1.675 117.223 119.070 -0.287 0.000 2.548 786 H HA 0.148 4.704 4.556 -0.001 0.000 0.268 786 H C 0.687 175.762 175.328 -0.422 0.000 0.975 786 H CA 0.348 56.174 56.048 -0.369 0.000 1.195 786 H CB -0.181 29.284 29.762 -0.496 0.000 1.397 786 H HN 0.210 nan 8.280 nan 0.000 0.572 787 F N 0.211 120.155 119.950 -0.010 0.000 2.518 787 F HA 0.324 4.851 4.527 -0.001 0.000 0.338 787 F C 0.957 176.710 175.800 -0.079 0.000 1.065 787 F CA -0.855 57.136 58.000 -0.015 0.000 1.012 787 F CB 1.177 40.185 39.000 0.014 0.000 1.297 787 F HN -0.245 nan 8.300 nan 0.000 0.489 788 S N -0.096 115.705 115.700 0.167 0.000 2.672 788 S HA 0.336 4.806 4.470 -0.001 0.000 0.276 788 S C -0.436 174.143 174.600 -0.035 0.000 1.207 788 S CA -0.864 57.358 58.200 0.037 0.000 1.002 788 S CB 0.819 64.046 63.200 0.044 0.000 0.998 788 S HN 0.332 nan 8.310 nan 0.000 0.542 789 K N 1.566 121.917 120.400 -0.081 0.000 2.295 789 K HA 0.119 4.439 4.320 -0.001 0.000 0.270 789 K C -0.577 175.936 176.600 -0.145 0.000 1.011 789 K CA 0.003 56.189 56.287 -0.168 0.000 0.953 789 K CB 0.186 32.617 32.500 -0.114 0.000 0.956 789 K HN 0.527 nan 8.250 nan 0.000 0.477 790 D N 1.277 121.513 120.400 -0.273 0.000 2.947 790 D HA -0.155 4.485 4.640 -0.001 0.000 0.224 790 D C -0.782 175.537 176.300 0.032 0.000 1.132 790 D CA 1.032 54.997 54.000 -0.057 0.000 0.801 790 D CB -0.972 39.899 40.800 0.118 0.000 1.097 790 D HN 0.561 nan 8.370 nan 0.000 0.431 791 D N -0.009 120.305 120.400 -0.143 0.000 2.443 791 D HA 0.150 4.790 4.640 -0.001 0.000 0.221 791 D C 0.249 176.551 176.300 0.003 0.000 1.097 791 D CA -0.445 53.559 54.000 0.006 0.000 0.865 791 D CB -0.014 40.773 40.800 -0.021 0.000 1.034 791 D HN 0.113 nan 8.370 nan 0.000 0.511 792 Y N 1.341 121.759 120.300 0.197 0.000 2.532 792 Y HA 0.091 4.641 4.550 -0.001 0.000 0.283 792 Y C 1.539 177.544 175.900 0.175 0.000 1.181 792 Y CA -0.470 57.768 58.100 0.230 0.000 1.256 792 Y CB -0.245 38.386 38.460 0.284 0.000 1.112 792 Y HN 0.226 nan 8.280 nan 0.000 0.521 793 S N 0.937 116.773 115.700 0.228 0.000 2.598 793 S HA 0.049 4.518 4.470 -0.001 0.000 0.256 793 S C -1.411 173.254 174.600 0.108 0.000 1.350 793 S CA -0.945 57.353 58.200 0.163 0.000 0.984 793 S CB 0.723 64.006 63.200 0.138 0.000 0.930 793 S HN 0.083 nan 8.310 nan 0.000 0.577 794 P HA -0.028 nan 4.420 nan 0.000 0.219 794 P C 0.732 178.144 177.300 0.187 0.000 1.150 794 P CA 1.109 64.258 63.100 0.082 0.000 0.814 794 P CB -0.090 31.571 31.700 -0.065 0.000 0.787 795 E N 0.116 120.442 120.200 0.210 0.000 2.150 795 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 795 E C 2.316 179.057 176.600 0.234 0.000 0.985 795 E CA 1.092 57.672 56.400 0.300 0.000 0.814 795 E CB -0.955 28.947 29.700 0.337 0.000 0.752 795 E HN 0.191 nan 8.360 nan 0.000 0.466 796 S N 0.403 116.067 115.700 -0.060 0.000 2.335 796 S HA -0.109 4.361 4.470 -0.001 0.000 0.217 796 S C 1.704 176.089 174.600 -0.359 0.000 1.032 796 S CA 1.013 58.842 58.200 -0.619 0.000 0.985 796 S CB -0.056 62.804 63.200 -0.567 0.000 0.896 796 S HN 0.013 nan 8.310 nan 0.000 0.445 797 K N 0.173 120.452 120.400 -0.202 0.000 2.546 797 K HA 0.254 4.574 4.320 -0.001 0.000 0.198 797 K C 0.690 177.082 176.600 -0.348 0.000 1.028 797 K CA 0.597 56.734 56.287 -0.249 0.000 1.150 797 K CB -0.210 32.228 32.500 -0.103 0.000 0.876 797 K HN 0.548 nan 8.250 nan 0.000 0.508 798 G N 0.154 108.741 108.800 -0.356 0.000 2.154 798 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.186 798 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.186 798 G C -0.350 174.628 174.900 0.129 0.000 1.000 798 G CA -0.426 44.541 45.100 -0.220 0.000 0.664 798 G HN 0.284 nan 8.290 nan 0.000 0.513 799 F N 2.061 122.040 119.950 0.048 0.000 2.438 799 F HA 0.584 5.110 4.527 -0.001 0.000 0.356 799 F C 0.435 176.292 175.800 0.096 0.000 1.099 799 F CA -0.755 57.278 58.000 0.055 0.000 1.185 799 F CB 1.308 40.336 39.000 0.047 0.000 1.115 799 F HN -0.002 nan 8.300 nan 0.000 0.526 800 V N 7.978 127.592 119.914 -0.500 0.000 2.348 800 V HA 0.085 4.205 4.120 -0.001 0.000 0.270 800 V C 0.949 176.582 176.094 -0.767 0.000 1.037 800 V CA -0.164 61.890 62.300 -0.411 0.000 0.872 800 V CB 1.012 32.640 31.823 -0.326 0.000 1.002 800 V HN 0.948 nan 8.190 nan 0.000 0.464 801 E N 4.220 124.163 120.200 -0.427 0.000 2.112 801 E HA -0.039 4.311 4.350 -0.001 0.000 0.190 801 E C 0.844 177.326 176.600 -0.197 0.000 0.979 801 E CA 0.306 56.536 56.400 -0.283 0.000 0.814 801 E CB 0.326 30.072 29.700 0.077 0.000 0.762 801 E HN 0.719 nan 8.360 nan 0.000 0.460 802 N N 1.059 119.661 118.700 -0.163 0.000 2.467 802 N HA 0.014 4.754 4.740 -0.001 0.000 0.262 802 N C -0.163 175.217 175.510 -0.217 0.000 1.234 802 N CA 0.271 53.241 53.050 -0.133 0.000 0.952 802 N CB 1.443 39.888 38.487 -0.069 0.000 1.158 802 N HN 0.090 nan 8.380 nan 0.000 0.463 803 S N -0.051 115.551 115.700 -0.164 0.000 2.681 803 S HA 0.241 4.711 4.470 -0.001 0.000 0.270 803 S C 1.102 175.608 174.600 -0.157 0.000 1.209 803 S CA -0.527 57.545 58.200 -0.212 0.000 0.988 803 S CB 0.354 63.491 63.200 -0.106 0.000 1.006 803 S HN 0.559 nan 8.310 nan 0.000 0.558 804 Y N -0.363 119.904 120.300 -0.055 0.000 2.314 804 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 804 Y C 2.290 178.182 175.900 -0.013 0.000 1.129 804 Y CA 0.587 58.670 58.100 -0.028 0.000 1.201 804 Y CB -0.192 38.254 38.460 -0.023 0.000 0.999 804 Y HN 0.549 nan 8.280 nan 0.000 0.541 805 L N 0.791 122.089 121.223 0.126 0.000 2.012 805 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 805 L C 2.192 179.092 176.870 0.050 0.000 1.073 805 L CA 1.807 56.690 54.840 0.071 0.000 0.748 805 L CB -0.584 41.498 42.059 0.039 0.000 0.891 805 L HN 0.034 nan 8.230 nan 0.000 0.431 806 R N -0.288 120.230 120.500 0.030 0.000 2.092 806 R HA 0.206 4.545 4.340 -0.001 0.000 0.231 806 R C 0.683 177.003 176.300 0.032 0.000 1.119 806 R CA 0.663 56.775 56.100 0.020 0.000 0.970 806 R CB -0.366 29.934 30.300 0.001 0.000 0.864 806 R HN 0.628 nan 8.270 nan 0.000 0.440 807 G N -0.270 108.563 108.800 0.055 0.000 2.629 807 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.686 807 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.686 807 G C -1.473 173.466 174.900 0.065 0.000 1.232 807 G CA -1.097 44.050 45.100 0.079 0.000 0.803 807 G HN -0.002 nan 8.290 nan 0.000 0.638 808 L N 1.192 122.480 121.223 0.109 0.000 2.331 808 L HA 0.750 5.090 4.340 -0.001 0.000 0.275 808 L C 1.580 178.499 176.870 0.082 0.000 1.022 808 L CA 0.057 54.960 54.840 0.106 0.000 0.812 808 L CB 1.579 43.760 42.059 0.203 0.000 1.257 808 L HN 1.098 nan 8.230 nan 0.000 0.435 809 T N -0.790 113.799 114.554 0.059 0.000 2.766 809 T HA 0.249 4.598 4.350 -0.001 0.000 0.295 809 T C -1.773 172.942 174.700 0.026 0.000 1.024 809 T CA -1.199 60.913 62.100 0.019 0.000 1.018 809 T CB 0.576 69.450 68.868 0.011 0.000 1.002 809 T HN 0.516 nan 8.240 nan 0.000 0.532 810 P HA -0.130 nan 4.420 nan 0.000 0.215 810 P C 1.402 178.693 177.300 -0.015 0.000 1.157 810 P CA 1.312 64.376 63.100 -0.059 0.000 0.868 810 P CB 0.038 31.645 31.700 -0.156 0.000 0.788 811 Q N 0.417 120.134 119.800 -0.138 0.000 2.096 811 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 811 Q C 2.283 178.141 176.000 -0.236 0.000 0.982 811 Q CA 1.638 57.275 55.803 -0.277 0.000 0.850 811 Q CB -0.788 27.850 28.738 -0.167 0.000 0.901 811 Q HN 0.438 nan 8.270 nan 0.000 0.422 812 E N -0.201 120.020 120.200 0.036 0.000 2.085 812 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 812 E C 1.715 178.450 176.600 0.225 0.000 0.994 812 E CA 1.045 57.543 56.400 0.163 0.000 0.801 812 E CB -0.270 29.508 29.700 0.129 0.000 0.743 812 E HN 0.311 nan 8.360 nan 0.000 0.453 813 F N 0.694 120.686 119.950 0.070 0.000 2.095 813 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 813 F C 2.069 177.953 175.800 0.141 0.000 1.104 813 F CA 1.439 59.515 58.000 0.126 0.000 1.232 813 F CB -0.256 38.797 39.000 0.088 0.000 0.987 813 F HN -0.051 nan 8.300 nan 0.000 0.475 814 F N 0.036 120.064 119.950 0.131 0.000 2.102 814 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 814 F C 2.111 177.956 175.800 0.074 0.000 1.105 814 F CA 1.740 59.755 58.000 0.026 0.000 1.239 814 F CB -0.776 38.202 39.000 -0.037 0.000 0.991 814 F HN -0.004 nan 8.300 nan 0.000 0.474 815 F N -1.295 118.826 119.950 0.286 0.000 2.134 815 F HA -0.278 4.248 4.527 -0.001 0.000 0.299 815 F C 2.570 178.414 175.800 0.074 0.000 1.097 815 F CA 1.142 59.247 58.000 0.176 0.000 1.264 815 F CB -0.742 38.380 39.000 0.203 0.000 1.001 815 F HN 0.071 nan 8.300 nan 0.000 0.479 816 H N 0.527 119.673 119.070 0.126 0.000 2.489 816 H HA -0.040 4.516 4.556 -0.001 0.000 0.293 816 H C 1.866 177.114 175.328 -0.133 0.000 1.066 816 H CA 1.051 57.094 56.048 -0.007 0.000 1.305 816 H CB -0.109 29.638 29.762 -0.024 0.000 1.386 816 H HN 0.169 nan 8.280 nan 0.000 0.551 817 A N -0.197 122.437 122.820 -0.310 0.000 1.975 817 A HA 0.018 4.337 4.320 -0.001 0.000 0.215 817 A C 2.438 179.822 177.584 -0.333 0.000 1.170 817 A CA 0.875 52.632 52.037 -0.466 0.000 0.656 817 A CB -0.398 18.240 19.000 -0.603 0.000 0.821 817 A HN 0.431 nan 8.150 nan 0.000 0.449 818 M N -0.425 119.029 119.600 -0.244 0.000 2.067 818 M HA -0.093 4.386 4.480 -0.001 0.000 0.260 818 M C 2.328 178.580 176.300 -0.081 0.000 1.069 818 M CA 1.622 56.839 55.300 -0.138 0.000 1.117 818 M CB -0.586 32.023 32.600 0.015 0.000 1.334 818 M HN 0.490 nan 8.290 nan 0.000 0.407 819 G N -0.370 108.411 108.800 -0.032 0.000 2.422 819 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.218 819 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.218 819 G C 1.486 176.345 174.900 -0.069 0.000 1.146 819 G CA 0.988 46.079 45.100 -0.014 0.000 0.769 819 G HN 0.575 nan 8.290 nan 0.000 0.547 820 G N 0.687 109.387 108.800 -0.166 0.000 2.421 820 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 820 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 820 G C 1.838 176.650 174.900 -0.147 0.000 1.171 820 G CA 1.164 46.139 45.100 -0.208 0.000 0.775 820 G HN 0.467 nan 8.290 nan 0.000 0.543 821 R N 0.688 121.098 120.500 -0.151 0.000 2.103 821 R HA -0.076 4.263 4.340 -0.001 0.000 0.242 821 R C 2.351 178.606 176.300 -0.076 0.000 1.142 821 R CA 1.968 58.000 56.100 -0.112 0.000 0.960 821 R CB -0.584 29.648 30.300 -0.113 0.000 0.858 821 R HN 0.517 nan 8.270 nan 0.000 0.439 822 E N -1.153 119.010 120.200 -0.063 0.000 2.065 822 E HA -0.199 4.151 4.350 -0.001 0.000 0.201 822 E C 1.814 178.391 176.600 -0.038 0.000 1.016 822 E CA 1.551 57.926 56.400 -0.041 0.000 0.818 822 E CB -0.466 29.216 29.700 -0.029 0.000 0.749 822 E HN 0.612 nan 8.360 nan 0.000 0.453 823 G N 0.863 109.638 108.800 -0.041 0.000 2.442 823 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.219 823 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.219 823 G C 1.577 176.453 174.900 -0.040 0.000 1.141 823 G CA 0.659 45.738 45.100 -0.035 0.000 0.763 823 G HN 0.154 nan 8.290 nan 0.000 0.554 824 L N -0.126 121.065 121.223 -0.052 0.000 2.056 824 L HA 0.035 4.375 4.340 -0.001 0.000 0.207 824 L C 2.848 179.694 176.870 -0.040 0.000 1.078 824 L CA 0.524 55.334 54.840 -0.049 0.000 0.749 824 L CB -0.346 41.676 42.059 -0.061 0.000 0.901 824 L HN 0.200 nan 8.230 nan 0.000 0.433 825 I N 0.891 121.437 120.570 -0.040 0.000 2.076 825 I HA -0.320 3.850 4.170 -0.001 0.000 0.237 825 I C 2.001 178.101 176.117 -0.028 0.000 1.059 825 I CA 1.990 63.271 61.300 -0.033 0.000 1.317 825 I CB -0.521 37.461 38.000 -0.030 0.000 1.037 825 I HN 0.419 nan 8.210 nan 0.000 0.398 826 D N -1.052 119.333 120.400 -0.026 0.000 2.371 826 D HA -0.131 4.508 4.640 -0.001 0.000 0.221 826 D C 1.761 178.048 176.300 -0.022 0.000 0.986 826 D CA 0.648 54.635 54.000 -0.021 0.000 0.899 826 D CB -0.522 40.267 40.800 -0.018 0.000 0.902 826 D HN 0.113 nan 8.370 nan 0.000 0.530 827 T N -0.727 113.812 114.554 -0.025 0.000 2.904 827 T HA 0.048 4.398 4.350 -0.001 0.000 0.267 827 T C 1.963 176.648 174.700 -0.025 0.000 1.059 827 T CA 1.124 63.209 62.100 -0.025 0.000 1.137 827 T CB -0.254 68.597 68.868 -0.029 0.000 0.879 827 T HN 0.351 nan 8.240 nan 0.000 0.467 828 A N 0.554 123.359 122.820 -0.026 0.000 1.898 828 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 828 A C 2.419 179.990 177.584 -0.022 0.000 1.181 828 A CA 1.266 53.288 52.037 -0.025 0.000 0.620 828 A CB -0.839 18.146 19.000 -0.026 0.000 0.819 828 A HN 0.366 nan 8.150 nan 0.000 0.442 829 V N 0.115 120.016 119.914 -0.021 0.000 2.216 829 V HA -0.269 3.850 4.120 -0.001 0.000 0.242 829 V C 2.411 178.497 176.094 -0.014 0.000 1.042 829 V CA 2.400 64.689 62.300 -0.018 0.000 0.991 829 V CB -0.831 30.982 31.823 -0.017 0.000 0.633 829 V HN 0.477 nan 8.190 nan 0.000 0.449 830 K N 0.017 120.409 120.400 -0.014 0.000 2.148 830 K HA -0.251 4.069 4.320 -0.001 0.000 0.213 830 K C 2.202 178.794 176.600 -0.014 0.000 1.050 830 K CA 2.440 58.719 56.287 -0.013 0.000 0.932 830 K CB -1.097 31.392 32.500 -0.018 0.000 0.717 830 K HN 0.555 nan 8.250 nan 0.000 0.462 831 T N -0.190 114.354 114.554 -0.017 0.000 2.595 831 T HA -0.199 4.151 4.350 -0.001 0.000 0.264 831 T C 1.746 176.441 174.700 -0.009 0.000 1.058 831 T CA 1.830 63.919 62.100 -0.018 0.000 1.166 831 T CB -0.544 68.311 68.868 -0.022 0.000 0.863 831 T HN 0.417 nan 8.240 nan 0.000 0.415 832 A N 1.395 124.210 122.820 -0.009 0.000 1.873 832 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 832 A C 2.185 179.782 177.584 0.023 0.000 1.193 832 A CA 2.070 54.106 52.037 -0.002 0.000 0.629 832 A CB -0.743 18.247 19.000 -0.017 0.000 0.826 832 A HN 0.630 nan 8.150 nan 0.000 0.447 833 E N -1.059 119.154 120.200 0.021 0.000 2.085 833 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 833 E C 2.101 178.747 176.600 0.078 0.000 0.994 833 E CA 1.664 58.098 56.400 0.057 0.000 0.801 833 E CB -0.358 29.362 29.700 0.033 0.000 0.743 833 E HN 0.636 nan 8.360 nan 0.000 0.453 834 T N 0.064 114.635 114.554 0.029 0.000 2.867 834 T HA -0.099 4.250 4.350 -0.001 0.000 0.268 834 T C 1.853 176.553 174.700 0.000 0.000 1.057 834 T CA 1.107 63.209 62.100 0.003 0.000 1.136 834 T CB -0.372 68.483 68.868 -0.022 0.000 0.874 834 T HN 0.348 nan 8.240 nan 0.000 0.466 835 G N -0.153 108.658 108.800 0.019 0.000 2.443 835 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 835 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 835 G C 1.335 176.260 174.900 0.042 0.000 1.131 835 G CA 0.524 45.632 45.100 0.015 0.000 0.775 835 G HN 0.598 nan 8.290 nan 0.000 0.547 836 Y N 0.663 120.934 120.300 -0.047 0.000 2.365 836 Y HA 0.268 4.818 4.550 -0.001 0.000 0.293 836 Y C 2.355 178.224 175.900 -0.052 0.000 1.119 836 Y CA 0.344 58.415 58.100 -0.049 0.000 1.203 836 Y CB 0.013 38.444 38.460 -0.047 0.000 1.026 836 Y HN 0.133 nan 8.280 nan 0.000 0.549 837 I N 0.341 120.818 120.570 -0.155 0.000 2.315 837 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 837 I C 2.523 178.510 176.117 -0.217 0.000 1.117 837 I CA 1.383 62.544 61.300 -0.232 0.000 1.404 837 I CB -0.362 37.589 38.000 -0.081 0.000 1.071 837 I HN 0.321 nan 8.210 nan 0.000 0.419 838 Q N 1.200 120.914 119.800 -0.144 0.000 2.167 838 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 838 Q C 2.149 178.065 176.000 -0.139 0.000 0.970 838 Q CA 1.399 57.129 55.803 -0.123 0.000 0.855 838 Q CB 0.050 28.733 28.738 -0.090 0.000 0.911 838 Q HN 0.479 nan 8.270 nan 0.000 0.438 839 R N -0.513 119.887 120.500 -0.166 0.000 2.240 839 R HA 0.051 4.390 4.340 -0.001 0.000 0.203 839 R C 2.015 178.190 176.300 -0.208 0.000 1.011 839 R CA 0.162 56.169 56.100 -0.155 0.000 1.007 839 R CB 0.219 30.450 30.300 -0.115 0.000 0.911 839 R HN 0.067 nan 8.270 nan 0.000 0.468 840 R N 0.623 120.935 120.500 -0.314 0.000 2.090 840 R HA 0.087 4.426 4.340 -0.001 0.000 0.219 840 R C 2.267 178.451 176.300 -0.192 0.000 1.100 840 R CA 0.646 56.560 56.100 -0.310 0.000 0.991 840 R CB -0.579 29.435 30.300 -0.477 0.000 0.893 840 R HN 0.200 nan 8.270 nan 0.000 0.443 841 L N 0.296 121.418 121.223 -0.170 0.000 1.994 841 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 841 L C 2.481 179.297 176.870 -0.089 0.000 1.071 841 L CA 1.236 56.008 54.840 -0.113 0.000 0.745 841 L CB -0.780 41.219 42.059 -0.100 0.000 0.892 841 L HN -0.090 nan 8.230 nan 0.000 0.431 842 V N 0.292 120.151 119.914 -0.091 0.000 2.250 842 V HA -0.395 3.725 4.120 -0.001 0.000 0.250 842 V C 2.631 178.686 176.094 -0.066 0.000 1.060 842 V CA 2.319 64.576 62.300 -0.072 0.000 1.030 842 V CB -0.622 31.159 31.823 -0.071 0.000 0.643 842 V HN 0.480 nan 8.190 nan 0.000 0.445 843 K N 0.041 120.394 120.400 -0.078 0.000 2.074 843 K HA -0.224 4.095 4.320 -0.001 0.000 0.209 843 K C 2.087 178.656 176.600 -0.052 0.000 1.048 843 K CA 1.764 58.011 56.287 -0.066 0.000 0.926 843 K CB -0.329 32.121 32.500 -0.082 0.000 0.713 843 K HN 0.463 nan 8.250 nan 0.000 0.444 844 A N 0.608 123.394 122.820 -0.058 0.000 2.015 844 A HA -0.026 4.294 4.320 -0.001 0.000 0.219 844 A C 1.807 179.375 177.584 -0.026 0.000 1.163 844 A CA 1.087 53.101 52.037 -0.038 0.000 0.646 844 A CB -0.169 18.805 19.000 -0.042 0.000 0.806 844 A HN 0.351 nan 8.150 nan 0.000 0.448 845 L N -2.215 118.991 121.223 -0.030 0.000 2.701 845 L HA 0.185 4.525 4.340 -0.001 0.000 0.238 845 L C 1.901 178.758 176.870 -0.022 0.000 1.106 845 L CA 0.214 55.042 54.840 -0.020 0.000 0.898 845 L CB -0.341 41.709 42.059 -0.014 0.000 1.188 845 L HN 0.336 nan 8.230 nan 0.000 0.508 846 E N 1.828 122.010 120.200 -0.029 0.000 2.200 846 E HA -0.320 4.030 4.350 -0.001 0.000 0.211 846 E C 1.229 177.812 176.600 -0.028 0.000 1.048 846 E CA 2.204 58.585 56.400 -0.032 0.000 0.851 846 E CB 0.057 29.737 29.700 -0.034 0.000 0.747 846 E HN 0.645 nan 8.360 nan 0.000 0.462 847 D N -0.301 120.088 120.400 -0.019 0.000 2.349 847 D HA -0.053 4.586 4.640 -0.001 0.000 0.224 847 D C 0.610 176.909 176.300 -0.003 0.000 1.029 847 D CA 0.112 54.105 54.000 -0.011 0.000 0.879 847 D CB -0.280 40.518 40.800 -0.003 0.000 0.906 847 D HN 0.191 nan 8.370 nan 0.000 0.528 848 I N 1.241 121.806 120.570 -0.008 0.000 2.436 848 I HA 0.158 4.328 4.170 -0.001 0.000 0.289 848 I C 0.451 176.554 176.117 -0.024 0.000 1.083 848 I CA -0.134 61.165 61.300 -0.002 0.000 1.372 848 I CB 0.588 38.588 38.000 0.000 0.000 1.408 848 I HN 0.015 nan 8.210 nan 0.000 0.516 849 M N 6.633 126.230 119.600 -0.005 0.000 2.658 849 M HA 0.546 5.026 4.480 -0.001 0.000 0.295 849 M C -1.611 174.660 176.300 -0.049 0.000 1.248 849 M CA -0.741 54.513 55.300 -0.078 0.000 0.843 849 M CB 2.415 34.932 32.600 -0.138 0.000 1.749 849 M HN 0.179 nan 8.290 nan 0.000 0.464 850 V N 3.781 123.591 119.914 -0.172 0.000 2.406 850 V HA 0.342 4.462 4.120 -0.001 0.000 0.272 850 V C 0.139 176.113 176.094 -0.200 0.000 1.043 850 V CA -0.449 61.769 62.300 -0.137 0.000 0.915 850 V CB 0.626 32.307 31.823 -0.237 0.000 0.988 850 V HN 0.794 nan 8.190 nan 0.000 0.466 851 H N 3.172 122.162 119.070 -0.133 0.000 2.490 851 H HA 0.207 4.762 4.556 -0.001 0.000 0.354 851 H C 0.269 175.504 175.328 -0.155 0.000 1.365 851 H CA -0.208 55.761 56.048 -0.132 0.000 1.413 851 H CB 1.171 30.919 29.762 -0.024 0.000 1.631 851 H HN 0.590 nan 8.280 nan 0.000 0.607 852 Y N 0.440 120.809 120.300 0.114 0.000 2.574 852 Y HA -0.156 4.394 4.550 -0.001 0.000 0.294 852 Y C 1.662 177.598 175.900 0.060 0.000 1.142 852 Y CA 0.871 59.005 58.100 0.058 0.000 1.314 852 Y CB 0.003 38.487 38.460 0.039 0.000 0.991 852 Y HN 0.591 nan 8.280 nan 0.000 0.555 853 D N -2.183 118.338 120.400 0.202 0.000 2.340 853 D HA -0.060 4.580 4.640 -0.001 0.000 0.220 853 D C 0.338 176.704 176.300 0.110 0.000 1.039 853 D CA 0.293 54.377 54.000 0.140 0.000 0.866 853 D CB -0.400 40.470 40.800 0.117 0.000 0.913 853 D HN 0.133 nan 8.370 nan 0.000 0.523 854 N N -1.183 117.574 118.700 0.095 0.000 2.948 854 N HA -0.157 4.583 4.740 -0.001 0.000 0.239 854 N C -0.487 175.080 175.510 0.096 0.000 0.954 854 N CA 1.015 54.114 53.050 0.082 0.000 0.941 854 N CB -1.721 36.820 38.487 0.090 0.000 1.101 854 N HN 0.316 nan 8.380 nan 0.000 0.579 855 T N 0.587 115.192 114.554 0.086 0.000 2.904 855 T HA 0.369 4.719 4.350 -0.001 0.000 0.290 855 T C 0.123 174.851 174.700 0.048 0.000 1.018 855 T CA 0.445 62.572 62.100 0.045 0.000 1.075 855 T CB 0.935 69.798 68.868 -0.008 0.000 0.986 855 T HN 0.040 nan 8.240 nan 0.000 0.523 856 T N 5.391 119.949 114.554 0.007 0.000 2.772 856 T HA 0.568 4.917 4.350 -0.001 0.000 0.288 856 T C -0.234 174.444 174.700 -0.036 0.000 0.994 856 T CA -0.633 61.484 62.100 0.028 0.000 0.951 856 T CB 0.596 69.513 68.868 0.081 0.000 0.933 856 T HN 0.475 nan 8.240 nan 0.000 0.447 857 R N 2.087 122.588 120.500 0.002 0.000 2.855 857 R HA 0.504 4.843 4.340 -0.001 0.000 0.266 857 R C -0.167 176.132 176.300 -0.001 0.000 1.034 857 R CA -1.114 54.946 56.100 -0.066 0.000 0.944 857 R CB 1.834 32.002 30.300 -0.220 0.000 1.219 857 R HN 0.789 nan 8.270 nan 0.000 0.474 858 N N -1.656 117.027 118.700 -0.028 0.000 2.502 858 N HA 0.113 4.852 4.740 -0.001 0.000 0.280 858 N C 0.709 176.223 175.510 0.007 0.000 1.223 858 N CA -0.498 52.550 53.050 -0.002 0.000 0.966 858 N CB 1.274 39.752 38.487 -0.014 0.000 1.203 858 N HN 0.522 nan 8.380 nan 0.000 0.565 859 S N 0.287 115.996 115.700 0.015 0.000 2.392 859 S HA -0.215 4.255 4.470 -0.001 0.000 0.232 859 S C 1.758 176.362 174.600 0.007 0.000 1.041 859 S CA 1.004 59.216 58.200 0.020 0.000 1.026 859 S CB -0.876 62.332 63.200 0.013 0.000 0.845 859 S HN 0.558 nan 8.310 nan 0.000 0.465 860 L N 0.852 122.072 121.223 -0.006 0.000 2.093 860 L HA 0.145 4.484 4.340 -0.001 0.000 0.208 860 L C 2.289 179.142 176.870 -0.028 0.000 1.085 860 L CA 0.990 55.824 54.840 -0.011 0.000 0.755 860 L CB -0.884 41.168 42.059 -0.012 0.000 0.904 860 L HN 0.681 nan 8.230 nan 0.000 0.435 861 G N -1.355 107.413 108.800 -0.054 0.000 2.205 861 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.180 861 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.180 861 G C -0.059 174.770 174.900 -0.117 0.000 1.004 861 G CA -0.533 44.505 45.100 -0.105 0.000 0.670 861 G HN 0.231 nan 8.290 nan 0.000 0.496 862 N N 0.408 119.056 118.700 -0.087 0.000 2.479 862 N HA 0.376 5.116 4.740 -0.001 0.000 0.257 862 N C 0.469 175.894 175.510 -0.143 0.000 1.232 862 N CA 0.036 53.032 53.050 -0.091 0.000 0.920 862 N CB 1.595 40.047 38.487 -0.059 0.000 1.105 862 N HN 0.107 nan 8.380 nan 0.000 0.444 863 V N 3.287 123.084 119.914 -0.195 0.000 2.488 863 V HA 0.159 4.279 4.120 -0.001 0.000 0.277 863 V C 1.490 177.406 176.094 -0.298 0.000 1.046 863 V CA -0.059 62.038 62.300 -0.339 0.000 0.986 863 V CB 0.569 32.012 31.823 -0.633 0.000 0.989 863 V HN 0.594 nan 8.190 nan 0.000 0.475 864 I N 2.652 123.080 120.570 -0.237 0.000 2.947 864 I HA 0.151 4.321 4.170 -0.001 0.000 0.263 864 I C 0.767 176.795 176.117 -0.148 0.000 1.130 864 I CA 0.512 61.727 61.300 -0.140 0.000 1.448 864 I CB 0.386 38.347 38.000 -0.066 0.000 1.222 864 I HN 0.567 nan 8.210 nan 0.000 0.453 865 Q N -0.225 119.481 119.800 -0.156 0.000 2.337 865 Q HA 0.320 4.660 4.340 -0.001 0.000 0.270 865 Q C -0.493 175.411 176.000 -0.160 0.000 1.043 865 Q CA -0.557 55.203 55.803 -0.073 0.000 0.794 865 Q CB 2.284 31.045 28.738 0.039 0.000 1.281 865 Q HN 0.094 nan 8.270 nan 0.000 0.446 866 F N 1.142 121.113 119.950 0.036 0.000 2.604 866 F HA 0.167 4.694 4.527 -0.001 0.000 0.298 866 F C 0.819 176.648 175.800 0.049 0.000 1.131 866 F CA 0.688 58.708 58.000 0.034 0.000 1.457 866 F CB 0.567 39.580 39.000 0.022 0.000 1.095 866 F HN 0.382 nan 8.300 nan 0.000 0.574 867 I N -1.115 119.560 120.570 0.175 0.000 2.731 867 I HA 0.109 4.278 4.170 -0.001 0.000 0.289 867 I C -1.307 174.902 176.117 0.152 0.000 1.399 867 I CA -1.162 60.229 61.300 0.152 0.000 1.048 867 I CB 1.083 39.166 38.000 0.138 0.000 1.345 867 I HN -0.248 nan 8.210 nan 0.000 0.425 868 Y N 7.316 127.633 120.300 0.028 0.000 2.810 868 Y HA 0.282 4.832 4.550 -0.001 0.000 0.332 868 Y C 1.330 177.245 175.900 0.026 0.000 1.243 868 Y CA 1.437 59.545 58.100 0.013 0.000 1.537 868 Y CB 0.563 39.023 38.460 -0.000 0.000 1.265 868 Y HN 0.829 nan 8.280 nan 0.000 0.572 869 G N 4.278 112.749 108.800 -0.547 0.000 2.200 869 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.267 869 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.267 869 G C 0.505 175.336 174.900 -0.114 0.000 0.993 869 G CA 0.760 45.578 45.100 -0.469 0.000 0.701 869 G HN 0.975 nan 8.290 nan 0.000 0.524 870 E N -1.879 118.301 120.200 -0.034 0.000 3.496 870 E HA -0.299 4.051 4.350 -0.001 0.000 0.300 870 E C 0.881 177.491 176.600 0.017 0.000 0.877 870 E CA 1.478 57.893 56.400 0.024 0.000 1.050 870 E CB -0.863 28.859 29.700 0.037 0.000 1.532 870 E HN 0.893 nan 8.360 nan 0.000 0.447 871 D N -2.156 118.243 120.400 -0.002 0.000 2.480 871 D HA 0.155 4.795 4.640 -0.001 0.000 0.276 871 D C 1.166 177.480 176.300 0.023 0.000 1.294 871 D CA 0.601 54.614 54.000 0.021 0.000 0.829 871 D CB -0.238 40.570 40.800 0.013 0.000 1.242 871 D HN 0.254 nan 8.370 nan 0.000 0.513 872 G N 0.551 109.374 108.800 0.037 0.000 2.189 872 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.267 872 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.267 872 G C 0.165 175.100 174.900 0.058 0.000 0.975 872 G CA 0.849 45.998 45.100 0.081 0.000 0.644 872 G HN 0.362 nan 8.290 nan 0.000 0.537 873 M N 1.256 120.854 119.600 -0.002 0.000 2.255 873 M HA 0.453 4.932 4.480 -0.001 0.000 0.336 873 M C 0.234 176.595 176.300 0.100 0.000 1.135 873 M CA -1.433 53.846 55.300 -0.034 0.000 1.145 873 M CB 1.003 33.547 32.600 -0.093 0.000 1.473 873 M HN 0.201 nan 8.290 nan 0.000 0.462 874 D N 1.607 122.054 120.400 0.078 0.000 2.249 874 D HA 0.323 4.963 4.640 -0.001 0.000 0.246 874 D C 0.387 176.799 176.300 0.187 0.000 1.114 874 D CA 0.008 54.110 54.000 0.170 0.000 0.854 874 D CB 1.434 42.291 40.800 0.096 0.000 1.132 874 D HN 0.699 nan 8.370 nan 0.000 0.461 875 A N 3.875 126.811 122.820 0.194 0.000 2.024 875 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 875 A C 1.951 179.625 177.584 0.149 0.000 1.164 875 A CA 1.785 53.915 52.037 0.154 0.000 0.643 875 A CB -0.409 18.683 19.000 0.154 0.000 0.806 875 A HN 0.660 nan 8.150 nan 0.000 0.451 876 A N -1.895 121.008 122.820 0.139 0.000 2.239 876 A HA -0.025 4.295 4.320 -0.001 0.000 0.209 876 A C 1.364 178.871 177.584 -0.127 0.000 1.171 876 A CA 0.773 52.814 52.037 0.007 0.000 0.768 876 A CB -0.605 18.363 19.000 -0.054 0.000 0.790 876 A HN 0.688 nan 8.150 nan 0.000 0.478 877 H N -1.371 117.723 119.070 0.038 0.000 2.581 877 H HA 0.372 4.928 4.556 -0.001 0.000 0.275 877 H C -0.659 174.695 175.328 0.043 0.000 1.126 877 H CA -0.181 55.886 56.048 0.031 0.000 1.097 877 H CB 0.384 30.131 29.762 -0.025 0.000 1.626 877 H HN 0.345 nan 8.280 nan 0.000 0.565 878 I N 1.914 122.574 120.570 0.151 0.000 2.441 878 I HA 0.177 4.347 4.170 -0.001 0.000 0.295 878 I C -0.219 175.991 176.117 0.155 0.000 0.994 878 I CA -0.385 60.999 61.300 0.140 0.000 1.144 878 I CB 1.942 40.026 38.000 0.141 0.000 1.314 878 I HN 0.046 nan 8.210 nan 0.000 0.445 879 E N 4.833 125.104 120.200 0.119 0.000 2.317 879 E HA 0.337 4.687 4.350 -0.001 0.000 0.270 879 E C -1.165 175.469 176.600 0.057 0.000 0.885 879 E CA -1.185 55.256 56.400 0.067 0.000 0.760 879 E CB 2.534 32.213 29.700 -0.035 0.000 1.227 879 E HN 0.341 nan 8.360 nan 0.000 0.434 880 K N 2.265 122.671 120.400 0.009 0.000 2.412 880 K HA 0.039 4.359 4.320 -0.001 0.000 0.284 880 K C -0.583 176.007 176.600 -0.017 0.000 1.046 880 K CA 0.565 56.834 56.287 -0.029 0.000 0.999 880 K CB 0.427 32.863 32.500 -0.106 0.000 0.941 880 K HN 0.390 nan 8.250 nan 0.000 0.474 881 Q N 1.425 121.235 119.800 0.017 0.000 2.423 881 Q HA 0.195 4.534 4.340 -0.001 0.000 0.278 881 Q C -1.125 174.890 176.000 0.025 0.000 1.097 881 Q CA -0.893 54.931 55.803 0.035 0.000 0.809 881 Q CB 2.203 30.994 28.738 0.088 0.000 1.391 881 Q HN 0.611 nan 8.270 nan 0.000 0.428 882 S N 1.946 117.661 115.700 0.026 0.000 2.430 882 S HA 0.354 4.824 4.470 -0.001 0.000 0.289 882 S C -0.366 174.272 174.600 0.064 0.000 1.143 882 S CA -0.619 57.596 58.200 0.025 0.000 1.067 882 S CB -0.019 63.191 63.200 0.017 0.000 0.964 882 S HN 0.516 nan 8.310 nan 0.000 0.485 883 L N 5.469 126.737 121.223 0.075 0.000 2.404 883 L HA 0.241 4.580 4.340 -0.001 0.000 0.277 883 L C 0.926 177.857 176.870 0.103 0.000 1.184 883 L CA -0.529 54.367 54.840 0.094 0.000 1.013 883 L CB 0.116 42.238 42.059 0.106 0.000 1.318 883 L HN 0.733 nan 8.230 nan 0.000 0.435 884 D N 0.692 121.165 120.400 0.121 0.000 2.104 884 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 884 D C 1.896 178.308 176.300 0.187 0.000 0.994 884 D CA 1.955 56.050 54.000 0.158 0.000 0.830 884 D CB -0.054 40.868 40.800 0.203 0.000 0.959 884 D HN 0.553 nan 8.370 nan 0.000 0.452 885 T N 1.251 115.898 114.554 0.156 0.000 2.755 885 T HA -0.246 4.103 4.350 -0.001 0.000 0.266 885 T C 2.090 176.879 174.700 0.149 0.000 1.041 885 T CA 0.894 63.085 62.100 0.152 0.000 1.147 885 T CB -0.362 68.544 68.868 0.064 0.000 0.847 885 T HN 0.243 nan 8.240 nan 0.000 0.478 886 I N 0.809 121.458 120.570 0.133 0.000 2.876 886 I HA 0.210 4.380 4.170 -0.001 0.000 0.264 886 I C 1.407 177.638 176.117 0.191 0.000 1.204 886 I CA 0.122 61.505 61.300 0.138 0.000 1.485 886 I CB -0.227 37.861 38.000 0.146 0.000 1.103 886 I HN 0.313 nan 8.210 nan 0.000 0.446 887 G N -0.161 108.747 108.800 0.180 0.000 2.488 887 G HA2 0.502 4.462 3.960 -0.001 0.000 0.318 887 G HA3 0.502 4.462 3.960 -0.001 0.000 0.318 887 G C -0.091 174.919 174.900 0.183 0.000 1.188 887 G CA 0.146 45.362 45.100 0.194 0.000 0.944 887 G HN 0.533 nan 8.290 nan 0.000 0.495 888 G N -0.652 108.249 108.800 0.168 0.000 2.888 888 G HA2 0.192 4.152 3.960 -0.001 0.000 0.441 888 G HA3 0.192 4.152 3.960 -0.001 0.000 0.441 888 G C 0.468 175.425 174.900 0.094 0.000 1.461 888 G CA 0.228 45.402 45.100 0.125 0.000 0.897 888 G HN 2.063 nan 8.290 nan 0.000 0.547 889 S N -0.168 115.576 115.700 0.072 0.000 2.569 889 S HA 0.279 4.749 4.470 -0.001 0.000 0.274 889 S C 1.054 175.708 174.600 0.090 0.000 1.353 889 S CA 0.680 58.909 58.200 0.049 0.000 1.023 889 S CB 1.164 64.389 63.200 0.042 0.000 0.876 889 S HN 0.614 nan 8.310 nan 0.000 0.540 890 D N 1.577 122.013 120.400 0.060 0.000 2.144 890 D HA -0.052 4.588 4.640 -0.001 0.000 0.200 890 D C 2.252 178.657 176.300 0.175 0.000 0.978 890 D CA 1.490 55.556 54.000 0.110 0.000 0.833 890 D CB -0.742 40.082 40.800 0.040 0.000 0.961 890 D HN 0.715 nan 8.370 nan 0.000 0.470 891 A N 1.655 124.537 122.820 0.105 0.000 1.892 891 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 891 A C 2.398 180.045 177.584 0.105 0.000 1.188 891 A CA 2.456 54.545 52.037 0.086 0.000 0.631 891 A CB -0.739 18.290 19.000 0.048 0.000 0.822 891 A HN 0.261 nan 8.150 nan 0.000 0.447 892 A N -1.309 121.581 122.820 0.116 0.000 1.902 892 A HA -0.050 4.269 4.320 -0.001 0.000 0.217 892 A C 2.071 179.762 177.584 0.180 0.000 1.181 892 A CA 1.635 53.739 52.037 0.113 0.000 0.623 892 A CB -0.769 18.296 19.000 0.108 0.000 0.818 892 A HN 0.742 nan 8.150 nan 0.000 0.443 893 F N 0.734 120.757 119.950 0.120 0.000 2.095 893 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 893 F C 2.220 178.194 175.800 0.290 0.000 1.104 893 F CA 2.368 60.493 58.000 0.209 0.000 1.232 893 F CB -0.205 38.860 39.000 0.108 0.000 0.987 893 F HN 0.427 nan 8.300 nan 0.000 0.475 894 E N 0.098 120.482 120.200 0.307 0.000 2.107 894 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 894 E C 2.195 178.800 176.600 0.008 0.000 0.982 894 E CA 0.963 57.483 56.400 0.200 0.000 0.809 894 E CB -0.079 29.733 29.700 0.186 0.000 0.756 894 E HN 0.412 nan 8.360 nan 0.000 0.459 895 K N 0.213 120.606 120.400 -0.011 0.000 2.097 895 K HA -0.181 4.139 4.320 -0.001 0.000 0.206 895 K C 2.344 178.869 176.600 -0.124 0.000 1.049 895 K CA 1.140 57.386 56.287 -0.067 0.000 0.933 895 K CB -0.102 32.374 32.500 -0.040 0.000 0.717 895 K HN 0.034 nan 8.250 nan 0.000 0.442 896 R N -0.302 120.100 120.500 -0.163 0.000 2.062 896 R HA -0.101 4.238 4.340 -0.001 0.000 0.226 896 R C 1.554 177.489 176.300 -0.608 0.000 1.125 896 R CA 1.409 57.272 56.100 -0.395 0.000 0.966 896 R CB 0.050 30.068 30.300 -0.470 0.000 0.861 896 R HN 0.183 nan 8.270 nan 0.000 0.433 897 Y N -0.703 119.449 120.300 -0.246 0.000 2.524 897 Y HA 0.246 4.795 4.550 -0.001 0.000 0.270 897 Y C 0.542 176.411 175.900 -0.052 0.000 1.094 897 Y CA -0.385 57.606 58.100 -0.181 0.000 1.276 897 Y CB 0.086 38.339 38.460 -0.346 0.000 1.130 897 Y HN -0.145 nan 8.280 nan 0.000 0.536 898 R N 1.662 122.176 120.500 0.023 0.000 2.458 898 R HA 0.239 4.579 4.340 -0.001 0.000 0.303 898 R C -1.445 174.763 176.300 -0.153 0.000 1.013 898 R CA 0.178 56.151 56.100 -0.212 0.000 1.026 898 R CB -0.123 29.964 30.300 -0.355 0.000 0.948 898 R HN -0.064 nan 8.270 nan 0.000 0.417 899 V N 5.254 125.084 119.914 -0.139 0.000 2.409 899 V HA 0.248 4.368 4.120 -0.001 0.000 0.290 899 V C -0.704 175.341 176.094 -0.081 0.000 1.017 899 V CA -0.762 61.490 62.300 -0.079 0.000 0.841 899 V CB 1.608 33.402 31.823 -0.048 0.000 1.003 899 V HN 0.706 nan 8.190 nan 0.000 0.426 900 D N 4.445 124.819 120.400 -0.044 0.000 2.462 900 D HA 0.354 4.993 4.640 -0.001 0.000 0.249 900 D C 0.983 177.274 176.300 -0.015 0.000 1.117 900 D CA -0.319 53.663 54.000 -0.029 0.000 0.900 900 D CB 1.522 42.329 40.800 0.012 0.000 1.039 900 D HN 0.420 nan 8.370 nan 0.000 0.516 901 L N 2.386 123.595 121.223 -0.024 0.000 2.265 901 L HA -0.071 4.269 4.340 -0.001 0.000 0.215 901 L C 1.679 178.535 176.870 -0.022 0.000 1.117 901 L CA 0.783 55.609 54.840 -0.023 0.000 0.782 901 L CB -0.043 42.002 42.059 -0.023 0.000 0.914 901 L HN 0.390 nan 8.230 nan 0.000 0.441 902 L N -0.438 120.774 121.223 -0.019 0.000 2.737 902 L HA 0.135 4.474 4.340 -0.001 0.000 0.236 902 L C 0.170 177.027 176.870 -0.022 0.000 1.219 902 L CA 0.097 54.926 54.840 -0.019 0.000 1.021 902 L CB -0.636 41.414 42.059 -0.015 0.000 1.291 902 L HN 0.253 nan 8.230 nan 0.000 0.470 903 N N -0.864 117.819 118.700 -0.030 0.000 2.549 903 N HA 0.051 4.791 4.740 -0.001 0.000 0.290 903 N C 1.166 176.620 175.510 -0.094 0.000 1.122 903 N CA 0.035 53.051 53.050 -0.056 0.000 0.885 903 N CB 1.189 39.654 38.487 -0.037 0.000 1.455 903 N HN 0.076 nan 8.380 nan 0.000 0.521 904 T N 0.385 114.883 114.554 -0.094 0.000 2.755 904 T HA -0.258 4.092 4.350 -0.001 0.000 0.266 904 T C 0.818 175.437 174.700 -0.134 0.000 1.041 904 T CA 1.559 63.601 62.100 -0.096 0.000 1.147 904 T CB -0.193 68.624 68.868 -0.085 0.000 0.847 904 T HN 0.498 nan 8.240 nan 0.000 0.478 905 D N 0.535 120.790 120.400 -0.241 0.000 2.201 905 D HA -0.002 4.638 4.640 -0.001 0.000 0.209 905 D C 1.248 177.370 176.300 -0.296 0.000 0.961 905 D CA 0.865 54.662 54.000 -0.337 0.000 0.861 905 D CB -0.239 40.234 40.800 -0.545 0.000 0.997 905 D HN 0.541 nan 8.370 nan 0.000 0.486 906 H N 0.384 119.424 119.070 -0.050 0.000 2.605 906 H HA 0.324 4.880 4.556 -0.001 0.000 0.308 906 H C 0.169 175.455 175.328 -0.069 0.000 1.080 906 H CA 0.062 56.072 56.048 -0.064 0.000 1.119 906 H CB -0.403 29.314 29.762 -0.074 0.000 1.479 906 H HN -0.074 nan 8.280 nan 0.000 0.537 907 T N 0.330 114.890 114.554 0.010 0.000 2.922 907 T HA 0.426 4.776 4.350 -0.001 0.000 0.281 907 T C 0.764 175.449 174.700 -0.024 0.000 1.005 907 T CA -0.827 61.265 62.100 -0.014 0.000 0.982 907 T CB 1.605 70.455 68.868 -0.030 0.000 1.158 907 T HN 0.086 nan 8.240 nan 0.000 0.566 908 L N 2.293 123.496 121.223 -0.034 0.000 2.315 908 L HA 0.241 4.581 4.340 -0.001 0.000 0.283 908 L C 0.826 177.674 176.870 -0.037 0.000 1.089 908 L CA -0.607 54.209 54.840 -0.041 0.000 0.833 908 L CB 0.265 42.295 42.059 -0.047 0.000 1.170 908 L HN 0.645 nan 8.230 nan 0.000 0.442 909 D N 6.743 127.122 120.400 -0.035 0.000 2.488 909 D HA -0.013 4.627 4.640 -0.001 0.000 0.238 909 D C -1.470 174.812 176.300 -0.030 0.000 1.138 909 D CA -1.118 52.863 54.000 -0.031 0.000 0.873 909 D CB 1.513 42.296 40.800 -0.028 0.000 1.183 909 D HN 0.338 nan 8.370 nan 0.000 0.458 910 P HA -0.113 nan 4.420 nan 0.000 0.234 910 P C 0.856 178.144 177.300 -0.021 0.000 1.162 910 P CA 0.607 63.692 63.100 -0.025 0.000 0.759 910 P CB 0.081 31.767 31.700 -0.023 0.000 0.813 911 S N -1.247 114.442 115.700 -0.019 0.000 2.486 911 S HA 0.084 4.554 4.470 -0.001 0.000 0.220 911 S C 1.882 176.475 174.600 -0.012 0.000 1.011 911 S CA -0.065 58.127 58.200 -0.013 0.000 0.921 911 S CB -1.043 62.151 63.200 -0.010 0.000 0.785 911 S HN 0.101 nan 8.310 nan 0.000 0.517 912 L N 0.060 121.271 121.223 -0.019 0.000 2.270 912 L HA 0.365 4.705 4.340 -0.001 0.000 0.210 912 L C 0.326 177.178 176.870 -0.030 0.000 1.104 912 L CA 0.276 55.103 54.840 -0.021 0.000 0.804 912 L CB -0.093 41.947 42.059 -0.033 0.000 0.937 912 L HN 0.292 nan 8.230 nan 0.000 0.450 913 L N -0.963 120.240 121.223 -0.033 0.000 2.381 913 L HA 0.255 4.595 4.340 -0.001 0.000 0.268 913 L C 0.827 177.678 176.870 -0.032 0.000 0.997 913 L CA -0.131 54.685 54.840 -0.039 0.000 0.818 913 L CB 1.815 43.845 42.059 -0.048 0.000 1.310 913 L HN -0.080 nan 8.230 nan 0.000 0.416 914 E N 0.644 120.825 120.200 -0.032 0.000 2.017 914 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 914 E C 0.957 177.542 176.600 -0.025 0.000 0.997 914 E CA 1.551 57.936 56.400 -0.025 0.000 0.804 914 E CB 0.202 29.887 29.700 -0.025 0.000 0.757 914 E HN 0.744 nan 8.360 nan 0.000 0.448 915 S N -0.465 115.218 115.700 -0.029 0.000 2.859 915 S HA 0.148 4.618 4.470 -0.001 0.000 0.245 915 S C 1.461 176.044 174.600 -0.028 0.000 1.008 915 S CA 0.047 58.231 58.200 -0.026 0.000 1.089 915 S CB 0.367 63.550 63.200 -0.028 0.000 0.798 915 S HN 0.354 nan 8.310 nan 0.000 0.477 916 G N 2.815 111.598 108.800 -0.028 0.000 2.446 916 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 916 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 916 G C 1.713 176.597 174.900 -0.027 0.000 1.168 916 G CA 1.091 46.173 45.100 -0.029 0.000 0.771 916 G HN 0.781 nan 8.290 nan 0.000 0.551 917 S N 1.530 117.216 115.700 -0.023 0.000 2.355 917 S HA -0.120 4.350 4.470 -0.001 0.000 0.222 917 S C 1.989 176.576 174.600 -0.021 0.000 1.031 917 S CA 1.589 59.776 58.200 -0.022 0.000 0.993 917 S CB -0.485 62.703 63.200 -0.019 0.000 0.859 917 S HN 0.727 nan 8.310 nan 0.000 0.453 918 E N 0.692 120.880 120.200 -0.020 0.000 2.512 918 E HA 0.179 4.529 4.350 -0.001 0.000 0.195 918 E C 1.500 178.088 176.600 -0.020 0.000 1.083 918 E CA 0.159 56.548 56.400 -0.018 0.000 0.873 918 E CB -0.365 29.325 29.700 -0.016 0.000 0.897 918 E HN 0.588 nan 8.360 nan 0.000 0.514 919 I N 0.654 121.210 120.570 -0.023 0.000 3.462 919 I HA 0.043 4.213 4.170 -0.001 0.000 0.290 919 I C 1.135 177.237 176.117 -0.023 0.000 1.236 919 I CA -0.228 61.058 61.300 -0.024 0.000 1.418 919 I CB 0.414 38.397 38.000 -0.028 0.000 1.102 919 I HN 0.234 nan 8.210 nan 0.000 0.441 920 L N 2.007 123.215 121.223 -0.024 0.000 2.601 920 L HA -0.031 4.308 4.340 -0.001 0.000 0.277 920 L C 1.165 178.022 176.870 -0.022 0.000 1.219 920 L CA 0.972 55.797 54.840 -0.025 0.000 0.915 920 L CB 0.215 42.258 42.059 -0.026 0.000 1.160 920 L HN 0.531 nan 8.230 nan 0.000 0.494 921 G N 2.866 111.653 108.800 -0.022 0.000 2.179 921 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.257 921 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.257 921 G C 0.227 175.118 174.900 -0.016 0.000 1.010 921 G CA 0.333 45.422 45.100 -0.018 0.000 0.736 921 G HN 0.799 nan 8.290 nan 0.000 0.513 922 D N 0.481 120.871 120.400 -0.016 0.000 2.402 922 D HA 0.322 4.961 4.640 -0.001 0.000 0.235 922 D C 1.999 178.291 176.300 -0.012 0.000 1.226 922 D CA -0.382 53.609 54.000 -0.014 0.000 0.918 922 D CB 0.162 40.953 40.800 -0.015 0.000 1.043 922 D HN 0.263 nan 8.370 nan 0.000 0.506 923 L N 3.473 124.690 121.223 -0.010 0.000 1.990 923 L HA -0.251 4.089 4.340 -0.001 0.000 0.213 923 L C 2.457 179.323 176.870 -0.006 0.000 1.072 923 L CA 1.375 56.211 54.840 -0.008 0.000 0.755 923 L CB -0.310 41.745 42.059 -0.006 0.000 0.889 923 L HN 0.325 nan 8.230 nan 0.000 0.432 924 K N -0.044 120.353 120.400 -0.006 0.000 2.063 924 K HA -0.171 4.149 4.320 -0.001 0.000 0.208 924 K C 2.113 178.710 176.600 -0.004 0.000 1.048 924 K CA 1.210 57.495 56.287 -0.004 0.000 0.928 924 K CB -0.226 32.272 32.500 -0.004 0.000 0.713 924 K HN 0.263 nan 8.250 nan 0.000 0.442 925 L N 0.801 122.020 121.223 -0.007 0.000 2.056 925 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 925 L C 2.576 179.442 176.870 -0.006 0.000 1.078 925 L CA 0.933 55.768 54.840 -0.009 0.000 0.749 925 L CB -0.367 41.684 42.059 -0.014 0.000 0.901 925 L HN 0.256 nan 8.230 nan 0.000 0.433 926 Q N -0.192 119.603 119.800 -0.008 0.000 2.297 926 Q HA -0.157 4.183 4.340 -0.001 0.000 0.208 926 Q C 2.202 178.202 176.000 0.001 0.000 0.981 926 Q CA 1.168 56.967 55.803 -0.007 0.000 0.876 926 Q CB -0.245 28.487 28.738 -0.010 0.000 0.921 926 Q HN 0.387 nan 8.270 nan 0.000 0.446 927 V N 0.324 120.240 119.914 0.003 0.000 2.453 927 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 927 V C 2.329 178.432 176.094 0.015 0.000 1.048 927 V CA 1.024 63.329 62.300 0.009 0.000 1.049 927 V CB -0.420 31.406 31.823 0.006 0.000 0.672 927 V HN 0.268 nan 8.190 nan 0.000 0.457 928 L N -0.701 120.529 121.223 0.011 0.000 2.027 928 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 928 L C 2.346 179.231 176.870 0.025 0.000 1.074 928 L CA 1.485 56.334 54.840 0.015 0.000 0.745 928 L CB -0.425 41.639 42.059 0.007 0.000 0.898 928 L HN 0.288 nan 8.230 nan 0.000 0.433 929 L N -0.601 120.634 121.223 0.021 0.000 2.275 929 L HA -0.192 4.148 4.340 -0.001 0.000 0.215 929 L C 1.886 178.795 176.870 0.065 0.000 1.119 929 L CA 0.733 55.593 54.840 0.033 0.000 0.790 929 L CB -0.489 41.575 42.059 0.007 0.000 0.919 929 L HN 0.288 nan 8.230 nan 0.000 0.443 930 D N -0.186 120.247 120.400 0.055 0.000 2.249 930 D HA -0.112 4.528 4.640 -0.001 0.000 0.205 930 D C 2.050 178.415 176.300 0.108 0.000 0.962 930 D CA 0.730 54.782 54.000 0.088 0.000 0.860 930 D CB 0.162 40.995 40.800 0.054 0.000 0.955 930 D HN 0.358 nan 8.370 nan 0.000 0.505 931 E N 0.761 121.002 120.200 0.068 0.000 2.072 931 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 931 E C 1.913 178.550 176.600 0.061 0.000 0.985 931 E CA 0.658 57.089 56.400 0.052 0.000 0.801 931 E CB 0.028 29.746 29.700 0.030 0.000 0.750 931 E HN 0.349 nan 8.360 nan 0.000 0.452 932 E N 0.097 120.342 120.200 0.076 0.000 2.150 932 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 932 E C 1.799 178.468 176.600 0.116 0.000 0.985 932 E CA 0.825 57.273 56.400 0.080 0.000 0.814 932 E CB -0.039 29.711 29.700 0.082 0.000 0.752 932 E HN 0.289 nan 8.360 nan 0.000 0.466 933 Y N 1.218 121.536 120.300 0.030 0.000 2.286 933 Y HA 0.008 4.558 4.550 -0.001 0.000 0.293 933 Y C 1.965 177.907 175.900 0.070 0.000 1.124 933 Y CA 1.326 59.458 58.100 0.053 0.000 1.178 933 Y CB 0.198 38.688 38.460 0.051 0.000 1.010 933 Y HN -0.115 nan 8.280 nan 0.000 0.536 934 K N -0.383 120.078 120.400 0.102 0.000 2.147 934 K HA -0.237 4.083 4.320 -0.001 0.000 0.205 934 K C 2.038 178.606 176.600 -0.054 0.000 1.049 934 K CA 1.475 57.771 56.287 0.016 0.000 0.936 934 K CB -0.098 32.431 32.500 0.047 0.000 0.722 934 K HN 0.245 nan 8.250 nan 0.000 0.446 935 Q N 1.292 121.069 119.800 -0.038 0.000 2.123 935 Q HA -0.034 4.306 4.340 -0.001 0.000 0.199 935 Q C 1.804 177.754 176.000 -0.083 0.000 0.966 935 Q CA 1.262 57.031 55.803 -0.056 0.000 0.845 935 Q CB -0.106 28.610 28.738 -0.036 0.000 0.907 935 Q HN 0.268 nan 8.270 nan 0.000 0.439 936 L N -0.821 120.340 121.223 -0.103 0.000 2.093 936 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 936 L C 2.155 178.989 176.870 -0.059 0.000 1.085 936 L CA 0.731 55.512 54.840 -0.098 0.000 0.755 936 L CB -0.319 41.627 42.059 -0.189 0.000 0.904 936 L HN 0.111 nan 8.230 nan 0.000 0.435 937 V N -0.326 119.474 119.914 -0.192 0.000 2.453 937 V HA -0.230 3.890 4.120 -0.001 0.000 0.247 937 V C 2.405 178.372 176.094 -0.213 0.000 1.048 937 V CA 1.501 63.618 62.300 -0.304 0.000 1.049 937 V CB -0.424 31.224 31.823 -0.291 0.000 0.672 937 V HN 0.399 nan 8.190 nan 0.000 0.457 938 K N -0.120 120.202 120.400 -0.131 0.000 2.025 938 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 938 K C 1.956 178.531 176.600 -0.041 0.000 1.049 938 K CA 1.724 57.962 56.287 -0.081 0.000 0.933 938 K CB -0.328 32.128 32.500 -0.074 0.000 0.714 938 K HN 0.384 nan 8.250 nan 0.000 0.438 939 D N 0.397 120.768 120.400 -0.049 0.000 2.116 939 D HA -0.197 4.442 4.640 -0.001 0.000 0.193 939 D C 1.861 178.185 176.300 0.040 0.000 0.998 939 D CA 1.153 55.164 54.000 0.018 0.000 0.836 939 D CB -0.142 40.649 40.800 -0.014 0.000 0.951 939 D HN 0.156 nan 8.370 nan 0.000 0.449 940 R N 0.666 121.113 120.500 -0.087 0.000 2.083 940 R HA -0.158 4.182 4.340 -0.001 0.000 0.237 940 R C 1.877 178.121 176.300 -0.093 0.000 1.137 940 R CA 1.276 57.289 56.100 -0.146 0.000 0.951 940 R CB 0.146 30.178 30.300 -0.446 0.000 0.851 940 R HN -0.009 nan 8.270 nan 0.000 0.434 941 K N 0.387 120.730 120.400 -0.096 0.000 2.009 941 K HA -0.197 4.123 4.320 -0.001 0.000 0.210 941 K C 1.933 178.527 176.600 -0.011 0.000 1.049 941 K CA 1.485 57.735 56.287 -0.062 0.000 0.929 941 K CB -0.960 31.510 32.500 -0.049 0.000 0.714 941 K HN 0.192 nan 8.250 nan 0.000 0.440 942 F N 2.248 122.135 119.950 -0.104 0.000 2.043 942 F HA -0.235 4.291 4.527 -0.001 0.000 0.297 942 F C 2.159 177.896 175.800 -0.106 0.000 1.118 942 F CA 1.496 59.434 58.000 -0.104 0.000 1.202 942 F CB -0.545 38.397 39.000 -0.096 0.000 0.965 942 F HN -0.088 nan 8.300 nan 0.000 0.482 943 L N -0.043 121.138 121.223 -0.071 0.000 2.042 943 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 943 L C 2.575 179.375 176.870 -0.117 0.000 1.076 943 L CA 1.581 56.358 54.840 -0.106 0.000 0.749 943 L CB -0.702 41.427 42.059 0.118 0.000 0.893 943 L HN 0.105 nan 8.230 nan 0.000 0.432 944 R N -0.133 120.334 120.500 -0.055 0.000 2.285 944 R HA -0.130 4.210 4.340 -0.001 0.000 0.213 944 R C 1.846 178.089 176.300 -0.096 0.000 1.068 944 R CA 0.803 56.905 56.100 0.003 0.000 1.004 944 R CB -0.100 30.218 30.300 0.029 0.000 0.873 944 R HN 0.555 nan 8.270 nan 0.000 0.467 945 E N -0.196 119.859 120.200 -0.242 0.000 2.166 945 E HA -0.043 4.307 4.350 -0.001 0.000 0.192 945 E C 1.957 178.302 176.600 -0.425 0.000 0.967 945 E CA 0.506 56.735 56.400 -0.286 0.000 0.840 945 E CB 0.277 29.798 29.700 -0.298 0.000 0.795 945 E HN 0.031 nan 8.360 nan 0.000 0.470 946 V N 0.716 120.217 119.914 -0.688 0.000 2.307 946 V HA -0.163 3.957 4.120 -0.001 0.000 0.245 946 V C 0.852 176.335 176.094 -1.019 0.000 1.045 946 V CA 1.407 63.117 62.300 -0.984 0.000 1.024 946 V CB -0.233 30.732 31.823 -1.430 0.000 0.651 946 V HN 0.149 nan 8.190 nan 0.000 0.449 947 F N -0.378 119.373 119.950 -0.333 0.000 2.461 947 F HA 0.351 4.877 4.527 -0.001 0.000 0.321 947 F C 1.160 176.884 175.800 -0.126 0.000 1.203 947 F CA -0.420 57.441 58.000 -0.232 0.000 1.238 947 F CB 0.257 39.139 39.000 -0.196 0.000 1.528 947 F HN -0.169 nan 8.300 nan 0.000 0.554 948 V N -0.557 119.332 119.914 -0.043 0.000 2.660 948 V HA -0.325 3.795 4.120 -0.001 0.000 0.257 948 V C 2.261 178.387 176.094 0.053 0.000 1.088 948 V CA 2.005 64.305 62.300 0.001 0.000 1.106 948 V CB -0.362 31.432 31.823 -0.049 0.000 0.686 948 V HN 0.639 nan 8.190 nan 0.000 0.481 949 D N 0.745 121.161 120.400 0.026 0.000 2.084 949 D HA -0.069 4.571 4.640 -0.001 0.000 0.194 949 D C 1.857 177.968 176.300 -0.315 0.000 0.990 949 D CA 2.092 56.068 54.000 -0.040 0.000 0.826 949 D CB 0.086 40.906 40.800 0.033 0.000 0.971 949 D HN 0.560 nan 8.370 nan 0.000 0.453 950 G N 0.455 109.030 108.800 -0.375 0.000 2.205 950 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.180 950 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.180 950 G C 0.060 174.738 174.900 -0.368 0.000 1.004 950 G CA 0.384 44.920 45.100 -0.940 0.000 0.670 950 G HN 0.455 nan 8.290 nan 0.000 0.496 951 E N 1.000 121.135 120.200 -0.109 0.000 2.415 951 E HA 0.614 4.964 4.350 -0.001 0.000 0.263 951 E C 1.154 177.772 176.600 0.029 0.000 0.995 951 E CA 0.958 57.337 56.400 -0.036 0.000 0.915 951 E CB 0.942 30.684 29.700 0.069 0.000 0.951 951 E HN 0.738 nan 8.360 nan 0.000 0.449 952 A N 5.061 127.833 122.820 -0.080 0.000 2.259 952 A HA 0.132 4.452 4.320 -0.001 0.000 0.213 952 A C 0.031 177.571 177.584 -0.074 0.000 1.209 952 A CA -0.254 51.768 52.037 -0.025 0.000 0.910 952 A CB 0.107 19.103 19.000 -0.007 0.000 0.946 952 A HN 0.592 nan 8.150 nan 0.000 0.497 953 N N 0.147 118.650 118.700 -0.329 0.000 2.439 953 N HA 0.372 5.111 4.740 -0.001 0.000 0.249 953 N C -1.802 173.250 175.510 -0.764 0.000 1.003 953 N CA 0.202 53.030 53.050 -0.370 0.000 0.942 953 N CB 0.668 38.967 38.487 -0.314 0.000 1.115 953 N HN 0.416 nan 8.380 nan 0.000 0.505 954 W N 2.148 123.338 121.300 -0.184 0.000 2.998 954 W HA 0.352 5.011 4.660 -0.001 0.000 0.335 954 W C -2.160 174.336 176.519 -0.038 0.000 1.110 954 W CA -1.742 55.511 57.345 -0.153 0.000 1.230 954 W CB 1.419 30.724 29.460 -0.259 0.000 1.405 954 W HN 0.299 nan 8.180 nan 0.000 0.493 955 P HA 0.196 nan 4.420 nan 0.000 0.267 955 P C -0.800 176.629 177.300 0.215 0.000 1.209 955 P CA 0.599 63.807 63.100 0.180 0.000 0.763 955 P CB 0.910 32.734 31.700 0.207 0.000 0.816 956 L N 4.927 126.267 121.223 0.194 0.000 2.469 956 L HA 0.549 4.889 4.340 -0.001 0.000 0.256 956 L C -2.401 174.577 176.870 0.180 0.000 1.006 956 L CA -2.592 52.382 54.840 0.223 0.000 0.832 956 L CB 3.109 45.364 42.059 0.327 0.000 1.421 956 L HN 0.159 nan 8.230 nan 0.000 0.410 957 P HA 0.200 nan 4.420 nan 0.000 0.276 957 P C -0.783 176.574 177.300 0.095 0.000 1.261 957 P CA -0.090 63.013 63.100 0.006 0.000 0.800 957 P CB 1.253 32.813 31.700 -0.234 0.000 1.066 958 V N -0.781 119.182 119.914 0.082 0.000 3.814 958 V HA -0.209 3.910 4.120 -0.001 0.000 0.480 958 V C 0.598 176.826 176.094 0.224 0.000 0.682 958 V CA 0.205 62.603 62.300 0.164 0.000 1.959 958 V CB -1.970 29.994 31.823 0.236 0.000 2.372 958 V HN 0.852 nan 8.190 nan 0.000 0.501 959 N N 4.644 123.420 118.700 0.127 0.000 2.605 959 N HA 0.254 4.994 4.740 -0.001 0.000 0.258 959 N C 1.131 176.694 175.510 0.088 0.000 1.156 959 N CA -0.020 53.086 53.050 0.094 0.000 1.008 959 N CB 0.575 39.079 38.487 0.028 0.000 1.354 959 N HN 0.759 nan 8.380 nan 0.000 0.509 960 I N 1.975 122.611 120.570 0.109 0.000 2.151 960 I HA -0.323 3.847 4.170 -0.001 0.000 0.243 960 I C 2.535 178.659 176.117 0.012 0.000 1.080 960 I CA 1.049 62.388 61.300 0.064 0.000 1.339 960 I CB -0.144 37.891 38.000 0.058 0.000 1.039 960 I HN 0.506 nan 8.210 nan 0.000 0.409 961 R N 1.054 121.563 120.500 0.016 0.000 2.091 961 R HA -0.219 4.121 4.340 -0.001 0.000 0.238 961 R C 2.510 178.813 176.300 0.004 0.000 1.136 961 R CA 1.653 57.747 56.100 -0.010 0.000 0.959 961 R CB -0.217 30.098 30.300 0.026 0.000 0.856 961 R HN 0.255 nan 8.270 nan 0.000 0.437 962 R N 0.364 120.885 120.500 0.034 0.000 2.066 962 R HA -0.066 4.273 4.340 -0.001 0.000 0.232 962 R C 2.338 178.696 176.300 0.096 0.000 1.131 962 R CA 1.643 57.782 56.100 0.064 0.000 0.955 962 R CB -0.224 30.109 30.300 0.054 0.000 0.851 962 R HN 0.289 nan 8.270 nan 0.000 0.432 963 I N 0.622 121.236 120.570 0.074 0.000 2.194 963 I HA -0.332 3.838 4.170 -0.001 0.000 0.246 963 I C 2.243 178.465 176.117 0.175 0.000 1.093 963 I CA 1.485 62.844 61.300 0.098 0.000 1.355 963 I CB -0.322 37.680 38.000 0.003 0.000 1.046 963 I HN 0.259 nan 8.210 nan 0.000 0.413 964 I N 0.348 120.944 120.570 0.044 0.000 2.252 964 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 964 I C 2.571 178.703 176.117 0.025 0.000 1.102 964 I CA 1.306 62.594 61.300 -0.021 0.000 1.385 964 I CB -0.343 37.449 38.000 -0.348 0.000 1.064 964 I HN 0.286 nan 8.210 nan 0.000 0.414 965 Q N 0.410 120.222 119.800 0.020 0.000 2.226 965 Q HA -0.175 4.165 4.340 -0.001 0.000 0.204 965 Q C 1.865 177.853 176.000 -0.019 0.000 0.975 965 Q CA 1.062 56.863 55.803 -0.004 0.000 0.866 965 Q CB -0.165 28.583 28.738 0.016 0.000 0.915 965 Q HN 0.536 nan 8.270 nan 0.000 0.440 966 N N 0.692 119.490 118.700 0.162 0.000 2.092 966 N HA -0.094 4.646 4.740 -0.001 0.000 0.189 966 N C 1.812 177.365 175.510 0.072 0.000 1.040 966 N CA 1.272 54.467 53.050 0.242 0.000 0.845 966 N CB -0.383 38.393 38.487 0.481 0.000 1.017 966 N HN 0.201 nan 8.380 nan 0.000 0.426 967 A N 1.645 124.613 122.820 0.247 0.000 1.884 967 A HA -0.253 4.067 4.320 -0.001 0.000 0.219 967 A C 2.120 179.764 177.584 0.100 0.000 1.197 967 A CA 1.836 53.961 52.037 0.146 0.000 0.637 967 A CB -0.987 18.260 19.000 0.411 0.000 0.827 967 A HN 0.426 nan 8.150 nan 0.000 0.450 968 Q N -1.471 118.357 119.800 0.046 0.000 2.234 968 Q HA -0.249 4.091 4.340 -0.001 0.000 0.206 968 Q C 2.189 178.134 176.000 -0.091 0.000 0.980 968 Q CA 1.729 57.527 55.803 -0.008 0.000 0.869 968 Q CB -0.097 28.644 28.738 0.004 0.000 0.912 968 Q HN 0.894 nan 8.270 nan 0.000 0.436 969 Q N -0.477 119.210 119.800 -0.187 0.000 2.259 969 Q HA -0.026 4.313 4.340 -0.001 0.000 0.201 969 Q C 1.695 177.434 176.000 -0.435 0.000 0.938 969 Q CA 1.552 57.193 55.803 -0.271 0.000 0.872 969 Q CB -0.080 28.423 28.738 -0.391 0.000 0.971 969 Q HN 0.096 nan 8.270 nan 0.000 0.494 970 T N 0.202 114.473 114.554 -0.473 0.000 2.777 970 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 970 T C 0.276 174.382 174.700 -0.990 0.000 1.040 970 T CA 1.346 62.968 62.100 -0.797 0.000 1.141 970 T CB -0.215 67.964 68.868 -1.148 0.000 0.868 970 T HN 0.309 nan 8.240 nan 0.000 0.444 971 F N 0.705 120.385 119.950 -0.450 0.000 2.668 971 F HA 0.302 4.829 4.527 -0.001 0.000 0.297 971 F C 0.524 176.221 175.800 -0.171 0.000 1.124 971 F CA -0.770 57.055 58.000 -0.292 0.000 1.353 971 F CB -0.620 38.250 39.000 -0.217 0.000 0.992 971 F HN 0.158 nan 8.300 nan 0.000 0.524 972 H N 0.495 119.560 119.070 -0.008 0.000 2.355 972 H HA -0.194 4.362 4.556 -0.001 0.000 0.324 972 H C 0.584 175.911 175.328 -0.001 0.000 1.015 972 H CA 0.380 56.421 56.048 -0.013 0.000 1.101 972 H CB -1.497 28.254 29.762 -0.019 0.000 1.555 972 H HN 0.350 nan 8.280 nan 0.000 0.386 973 I N 3.041 123.642 120.570 0.052 0.000 2.664 973 I HA -0.094 4.076 4.170 -0.001 0.000 0.284 973 I C 1.028 177.094 176.117 -0.085 0.000 1.154 973 I CA 0.395 61.679 61.300 -0.026 0.000 1.402 973 I CB 0.318 38.265 38.000 -0.089 0.000 1.395 973 I HN 0.220 nan 8.210 nan 0.000 0.545 974 D N 6.570 126.943 120.400 -0.045 0.000 2.317 974 D HA -0.006 4.634 4.640 -0.001 0.000 0.252 974 D C 0.620 176.886 176.300 -0.056 0.000 1.174 974 D CA -0.342 53.645 54.000 -0.021 0.000 0.866 974 D CB 0.901 41.711 40.800 0.018 0.000 1.127 974 D HN 0.492 nan 8.370 nan 0.000 0.467 975 H N 1.627 120.720 119.070 0.038 0.000 2.574 975 H HA -0.016 4.539 4.556 -0.001 0.000 0.277 975 H C 1.276 176.616 175.328 0.020 0.000 1.058 975 H CA 0.829 56.896 56.048 0.031 0.000 1.171 975 H CB 0.124 29.907 29.762 0.034 0.000 1.304 975 H HN 0.634 nan 8.280 nan 0.000 0.620 976 T N -3.102 111.509 114.554 0.096 0.000 3.042 976 T HA 0.117 4.467 4.350 -0.001 0.000 0.245 976 T C 0.996 175.718 174.700 0.036 0.000 1.029 976 T CA -0.122 62.015 62.100 0.062 0.000 1.120 976 T CB 0.993 69.889 68.868 0.047 0.000 0.917 976 T HN 0.020 nan 8.240 nan 0.000 0.467 977 K N 2.682 123.095 120.400 0.022 0.000 2.098 977 K HA 0.440 4.760 4.320 -0.001 0.000 0.261 977 K C -2.616 173.985 176.600 0.003 0.000 0.987 977 K CA -2.290 54.003 56.287 0.009 0.000 0.916 977 K CB 0.752 33.254 32.500 0.004 0.000 1.039 977 K HN 0.202 nan 8.250 nan 0.000 0.455 978 P HA -0.008 nan 4.420 nan 0.000 0.275 978 P C -0.420 176.869 177.300 -0.019 0.000 1.227 978 P CA -0.234 62.860 63.100 -0.010 0.000 0.781 978 P CB 1.255 32.947 31.700 -0.013 0.000 0.906 979 S N 1.138 116.822 115.700 -0.027 0.000 2.593 979 S HA 0.065 4.534 4.470 -0.001 0.000 0.269 979 S C 0.826 175.402 174.600 -0.041 0.000 1.334 979 S CA -0.405 57.773 58.200 -0.037 0.000 1.015 979 S CB -0.046 63.125 63.200 -0.049 0.000 0.912 979 S HN 0.568 nan 8.310 nan 0.000 0.541 980 D N 3.049 123.424 120.400 -0.042 0.000 2.525 980 D HA 0.134 4.774 4.640 -0.001 0.000 0.229 980 D C 0.075 176.344 176.300 -0.052 0.000 1.202 980 D CA -0.177 53.800 54.000 -0.039 0.000 0.828 980 D CB -0.346 40.439 40.800 -0.026 0.000 1.008 980 D HN 0.324 nan 8.370 nan 0.000 0.493 981 L N 0.705 121.880 121.223 -0.080 0.000 2.350 981 L HA 0.251 4.590 4.340 -0.001 0.000 0.275 981 L C 0.646 177.449 176.870 -0.112 0.000 1.099 981 L CA -0.101 54.665 54.840 -0.124 0.000 0.808 981 L CB 1.562 43.493 42.059 -0.212 0.000 1.149 981 L HN -0.140 nan 8.230 nan 0.000 0.442 982 T N 2.764 117.254 114.554 -0.107 0.000 2.902 982 T HA 0.323 4.672 4.350 -0.001 0.000 0.280 982 T C 1.495 176.132 174.700 -0.105 0.000 0.992 982 T CA -0.486 61.565 62.100 -0.082 0.000 1.015 982 T CB 1.395 70.232 68.868 -0.052 0.000 1.044 982 T HN 0.406 nan 8.240 nan 0.000 0.520 983 I N 0.749 121.272 120.570 -0.077 0.000 2.439 983 I HA -0.098 4.072 4.170 -0.001 0.000 0.251 983 I C 2.442 178.522 176.117 -0.060 0.000 1.139 983 I CA 1.180 62.435 61.300 -0.074 0.000 1.438 983 I CB -0.166 37.804 38.000 -0.050 0.000 1.085 983 I HN 0.609 nan 8.210 nan 0.000 0.427 984 K N 0.449 120.824 120.400 -0.043 0.000 2.217 984 K HA -0.146 4.174 4.320 -0.001 0.000 0.202 984 K C 1.529 178.118 176.600 -0.018 0.000 1.051 984 K CA 0.992 57.267 56.287 -0.021 0.000 0.952 984 K CB -0.079 32.414 32.500 -0.010 0.000 0.736 984 K HN 0.259 nan 8.250 nan 0.000 0.453 985 D N 1.199 121.569 120.400 -0.050 0.000 2.087 985 D HA -0.152 4.487 4.640 -0.001 0.000 0.192 985 D C 1.928 178.190 176.300 -0.063 0.000 0.993 985 D CA 1.213 55.185 54.000 -0.047 0.000 0.828 985 D CB -0.173 40.553 40.800 -0.124 0.000 0.968 985 D HN 0.139 nan 8.370 nan 0.000 0.448 986 I N 0.378 120.809 120.570 -0.233 0.000 2.094 986 I HA -0.224 3.946 4.170 -0.001 0.000 0.234 986 I C 2.587 178.716 176.117 0.021 0.000 1.063 986 I CA 0.588 61.743 61.300 -0.242 0.000 1.328 986 I CB -0.601 37.215 38.000 -0.306 0.000 1.058 986 I HN -0.131 nan 8.210 nan 0.000 0.400 987 V N 1.397 121.309 119.914 -0.004 0.000 2.231 987 V HA -0.315 3.804 4.120 -0.001 0.000 0.250 987 V C 2.442 178.567 176.094 0.051 0.000 1.058 987 V CA 2.058 64.377 62.300 0.030 0.000 1.022 987 V CB -0.625 31.206 31.823 0.013 0.000 0.640 987 V HN 0.376 nan 8.190 nan 0.000 0.445 988 L N -0.023 121.226 121.223 0.043 0.000 2.201 988 L HA -0.056 4.283 4.340 -0.001 0.000 0.212 988 L C 2.526 179.443 176.870 0.078 0.000 1.105 988 L CA 1.346 56.215 54.840 0.048 0.000 0.775 988 L CB -0.976 41.104 42.059 0.035 0.000 0.913 988 L HN 0.510 nan 8.230 nan 0.000 0.440 989 G N -0.476 108.407 108.800 0.137 0.000 2.414 989 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.215 989 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.215 989 G C 1.551 176.544 174.900 0.156 0.000 1.188 989 G CA 0.706 45.928 45.100 0.203 0.000 0.783 989 G HN 0.168 nan 8.290 nan 0.000 0.537 990 V N 0.599 120.630 119.914 0.194 0.000 2.490 990 V HA -0.107 4.012 4.120 -0.001 0.000 0.250 990 V C 2.658 178.783 176.094 0.050 0.000 1.061 990 V CA 2.048 64.420 62.300 0.120 0.000 1.064 990 V CB -0.307 31.602 31.823 0.143 0.000 0.670 990 V HN 0.347 nan 8.190 nan 0.000 0.461 991 K N -0.025 120.404 120.400 0.048 0.000 2.097 991 K HA -0.221 4.099 4.320 -0.001 0.000 0.205 991 K C 1.943 178.547 176.600 0.006 0.000 1.050 991 K CA 1.792 58.090 56.287 0.019 0.000 0.938 991 K CB -0.149 32.363 32.500 0.021 0.000 0.718 991 K HN 0.519 nan 8.250 nan 0.000 0.442 992 D N 0.325 120.735 120.400 0.016 0.000 2.097 992 D HA -0.172 4.468 4.640 -0.001 0.000 0.197 992 D C 1.860 178.151 176.300 -0.016 0.000 0.984 992 D CA 0.692 54.694 54.000 0.003 0.000 0.826 992 D CB -0.021 40.787 40.800 0.014 0.000 0.973 992 D HN 0.085 nan 8.370 nan 0.000 0.460 993 L N 0.905 122.117 121.223 -0.019 0.000 2.013 993 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 993 L C 2.085 178.917 176.870 -0.064 0.000 1.073 993 L CA 1.907 56.719 54.840 -0.045 0.000 0.753 993 L CB -1.087 40.942 42.059 -0.050 0.000 0.890 993 L HN 0.149 nan 8.230 nan 0.000 0.432 994 Q N -0.685 119.083 119.800 -0.052 0.000 2.197 994 Q HA -0.206 4.133 4.340 -0.001 0.000 0.207 994 Q C 1.716 177.670 176.000 -0.077 0.000 0.984 994 Q CA 1.673 57.435 55.803 -0.068 0.000 0.869 994 Q CB -0.104 28.605 28.738 -0.048 0.000 0.906 994 Q HN 0.557 nan 8.270 nan 0.000 0.426 995 E N -0.125 120.042 120.200 -0.055 0.000 2.511 995 E HA -0.042 4.308 4.350 -0.001 0.000 0.196 995 E C 0.699 177.266 176.600 -0.055 0.000 1.066 995 E CA 0.368 56.739 56.400 -0.047 0.000 0.871 995 E CB 0.105 29.787 29.700 -0.030 0.000 0.863 995 E HN 0.351 nan 8.360 nan 0.000 0.520 996 N N -0.073 118.580 118.700 -0.078 0.000 2.294 996 N HA 0.070 4.810 4.740 -0.001 0.000 0.186 996 N C 0.396 175.831 175.510 -0.126 0.000 1.107 996 N CA 0.022 53.026 53.050 -0.077 0.000 0.884 996 N CB 0.668 39.118 38.487 -0.062 0.000 1.030 996 N HN 0.143 nan 8.380 nan 0.000 0.482 997 L N 2.526 123.595 121.223 -0.257 0.000 2.505 997 L HA 0.188 4.527 4.340 -0.001 0.000 0.279 997 L C -0.194 176.532 176.870 -0.239 0.000 1.211 997 L CA 0.140 54.627 54.840 -0.590 0.000 1.059 997 L CB -0.369 41.033 42.059 -1.095 0.000 1.340 997 L HN -0.138 nan 8.230 nan 0.000 0.447 998 L N 3.094 124.338 121.223 0.035 0.000 2.275 998 L HA 0.300 4.640 4.340 -0.001 0.000 0.288 998 L C 0.834 177.842 176.870 0.231 0.000 1.046 998 L CA -0.381 54.532 54.840 0.121 0.000 0.805 998 L CB 1.950 44.047 42.059 0.063 0.000 1.193 998 L HN 0.292 nan 8.230 nan 0.000 0.426 999 V N 3.983 124.009 119.914 0.186 0.000 3.048 999 V HA 0.208 4.328 4.120 -0.001 0.000 0.241 999 V C 0.475 176.624 176.094 0.091 0.000 1.129 999 V CA 0.553 62.940 62.300 0.145 0.000 1.128 999 V CB 0.649 32.563 31.823 0.152 0.000 0.849 999 V HN 0.485 nan 8.190 nan 0.000 0.475 1000 L N -0.565 120.707 121.223 0.082 0.000 2.341 1000 L HA 0.550 4.890 4.340 -0.001 0.000 0.267 1000 L C 0.680 177.580 176.870 0.050 0.000 1.009 1000 L CA -0.449 54.430 54.840 0.065 0.000 0.819 1000 L CB 2.355 44.453 42.059 0.065 0.000 1.323 1000 L HN -0.064 nan 8.230 nan 0.000 0.425 1001 R N 0.387 120.913 120.500 0.043 0.000 2.394 1001 R HA 0.185 4.524 4.340 -0.001 0.000 0.220 1001 R C 0.765 177.080 176.300 0.024 0.000 0.887 1001 R CA -0.039 56.079 56.100 0.030 0.000 1.034 1001 R CB 0.805 31.120 30.300 0.024 0.000 1.179 1001 R HN 0.795 nan 8.270 nan 0.000 0.561 1002 G N 1.559 110.377 108.800 0.030 0.000 2.241 1002 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.235 1002 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.235 1002 G C 0.278 175.188 174.900 0.017 0.000 1.127 1002 G CA 0.154 45.269 45.100 0.025 0.000 0.867 1002 G HN 0.195 nan 8.290 nan 0.000 0.473 1003 K N 1.206 121.614 120.400 0.012 0.000 2.459 1003 K HA -0.025 4.295 4.320 -0.001 0.000 0.193 1003 K C 1.250 177.853 176.600 0.006 0.000 1.030 1003 K CA 0.370 56.661 56.287 0.007 0.000 1.026 1003 K CB -0.081 32.422 32.500 0.005 0.000 0.809 1003 K HN 0.782 nan 8.250 nan 0.000 0.504 1004 N N -0.454 118.250 118.700 0.008 0.000 2.379 1004 N HA -0.070 4.670 4.740 -0.001 0.000 0.260 1004 N C 0.751 176.262 175.510 0.001 0.000 1.254 1004 N CA -0.361 52.692 53.050 0.004 0.000 0.958 1004 N CB 0.565 39.056 38.487 0.007 0.000 1.208 1004 N HN -0.144 nan 8.380 nan 0.000 0.532 1005 E N 0.132 120.331 120.200 -0.003 0.000 2.051 1005 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 1005 E C 1.452 178.045 176.600 -0.010 0.000 0.991 1005 E CA 1.347 57.742 56.400 -0.008 0.000 0.799 1005 E CB -0.349 29.344 29.700 -0.011 0.000 0.748 1005 E HN 0.691 nan 8.360 nan 0.000 0.449 1006 I N 0.397 120.961 120.570 -0.010 0.000 2.099 1006 I HA -0.286 3.883 4.170 -0.001 0.000 0.239 1006 I C 2.065 178.178 176.117 -0.007 0.000 1.066 1006 I CA 0.918 62.208 61.300 -0.016 0.000 1.324 1006 I CB -0.381 37.609 38.000 -0.017 0.000 1.037 1006 I HN 0.212 nan 8.210 nan 0.000 0.401 1007 I N 0.407 120.981 120.570 0.007 0.000 2.151 1007 I HA -0.299 3.871 4.170 -0.001 0.000 0.243 1007 I C 2.593 178.719 176.117 0.015 0.000 1.080 1007 I CA 1.611 62.923 61.300 0.020 0.000 1.339 1007 I CB -1.533 36.484 38.000 0.029 0.000 1.039 1007 I HN 0.396 nan 8.210 nan 0.000 0.409 1008 Q N 0.508 120.312 119.800 0.006 0.000 2.226 1008 Q HA -0.152 4.188 4.340 -0.001 0.000 0.204 1008 Q C 1.951 177.948 176.000 -0.005 0.000 0.975 1008 Q CA 1.041 56.845 55.803 0.002 0.000 0.866 1008 Q CB -0.443 28.293 28.738 -0.004 0.000 0.915 1008 Q HN 0.596 nan 8.270 nan 0.000 0.440 1009 N N 0.219 118.913 118.700 -0.010 0.000 2.207 1009 N HA -0.039 4.700 4.740 -0.001 0.000 0.182 1009 N C 1.685 177.187 175.510 -0.013 0.000 1.020 1009 N CA 1.122 54.160 53.050 -0.019 0.000 0.858 1009 N CB -0.136 38.334 38.487 -0.029 0.000 0.991 1009 N HN 0.187 nan 8.380 nan 0.000 0.427 1010 A N 1.450 124.267 122.820 -0.004 0.000 1.892 1010 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 1010 A C 2.232 179.832 177.584 0.027 0.000 1.188 1010 A CA 2.031 54.074 52.037 0.011 0.000 0.631 1010 A CB -0.820 18.197 19.000 0.028 0.000 0.822 1010 A HN 0.326 nan 8.150 nan 0.000 0.447 1011 Q N 0.090 119.908 119.800 0.029 0.000 2.096 1011 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 1011 Q C 2.076 178.093 176.000 0.028 0.000 0.982 1011 Q CA 2.240 58.066 55.803 0.038 0.000 0.850 1011 Q CB -0.386 28.371 28.738 0.031 0.000 0.901 1011 Q HN 0.671 nan 8.270 nan 0.000 0.422 1012 R N -0.102 120.401 120.500 0.004 0.000 2.115 1012 R HA -0.083 4.256 4.340 -0.001 0.000 0.230 1012 R C 1.648 177.940 176.300 -0.014 0.000 1.111 1012 R CA 1.222 57.314 56.100 -0.013 0.000 0.976 1012 R CB -0.123 30.157 30.300 -0.034 0.000 0.870 1012 R HN 0.396 nan 8.270 nan 0.000 0.445 1013 D N 0.730 121.126 120.400 -0.007 0.000 2.084 1013 D HA -0.075 4.564 4.640 -0.001 0.000 0.196 1013 D C 1.827 178.146 176.300 0.030 0.000 0.985 1013 D CA 1.517 55.515 54.000 -0.004 0.000 0.826 1013 D CB -0.318 40.480 40.800 -0.003 0.000 0.978 1013 D HN 0.155 nan 8.370 nan 0.000 0.456 1014 A N 0.227 123.078 122.820 0.052 0.000 2.032 1014 A HA -0.134 4.185 4.320 -0.001 0.000 0.221 1014 A C 2.176 179.835 177.584 0.126 0.000 1.165 1014 A CA 1.113 53.200 52.037 0.082 0.000 0.645 1014 A CB -0.389 18.666 19.000 0.092 0.000 0.807 1014 A HN 0.196 nan 8.150 nan 0.000 0.453 1015 V N -0.721 119.266 119.914 0.122 0.000 3.647 1015 V HA -0.039 4.081 4.120 -0.001 0.000 0.279 1015 V C 2.155 178.335 176.094 0.142 0.000 1.314 1015 V CA 1.335 63.738 62.300 0.173 0.000 1.125 1015 V CB -0.388 31.501 31.823 0.109 0.000 0.907 1015 V HN 0.600 nan 8.190 nan 0.000 0.434 1016 T N 0.894 115.492 114.554 0.075 0.000 2.622 1016 T HA -0.203 4.146 4.350 -0.001 0.000 0.266 1016 T C 1.882 176.628 174.700 0.077 0.000 1.047 1016 T CA 1.923 64.029 62.100 0.009 0.000 1.159 1016 T CB -0.233 68.592 68.868 -0.072 0.000 0.863 1016 T HN 0.295 nan 8.240 nan 0.000 0.422 1017 L N 0.558 121.876 121.223 0.159 0.000 2.012 1017 L HA 0.016 4.355 4.340 -0.001 0.000 0.210 1017 L C 2.055 179.050 176.870 0.209 0.000 1.073 1017 L CA 1.644 56.607 54.840 0.205 0.000 0.748 1017 L CB -0.988 41.192 42.059 0.202 0.000 0.891 1017 L HN 0.252 nan 8.230 nan 0.000 0.431 1018 F N -0.485 119.537 119.950 0.120 0.000 2.126 1018 F HA -0.278 4.249 4.527 -0.001 0.000 0.299 1018 F C 2.531 178.377 175.800 0.077 0.000 1.096 1018 F CA 1.782 59.861 58.000 0.131 0.000 1.255 1018 F CB -0.764 38.362 39.000 0.210 0.000 0.997 1018 F HN 0.153 nan 8.300 nan 0.000 0.479 1019 C N -0.581 118.728 119.300 0.014 0.000 2.419 1019 C HA -0.178 4.282 4.460 -0.001 0.000 0.281 1019 C C 3.048 177.959 174.990 -0.131 0.000 1.336 1019 C CA 1.044 59.994 59.018 -0.112 0.000 1.770 1019 C CB -2.002 25.715 27.740 -0.037 0.000 1.929 1019 C HN 0.698 nan 8.230 nan 0.000 0.509 1020 C N -0.386 118.875 119.300 -0.065 0.000 2.450 1020 C HA -0.041 4.418 4.460 -0.001 0.000 0.279 1020 C C 2.517 177.475 174.990 -0.053 0.000 1.335 1020 C CA 0.727 59.727 59.018 -0.030 0.000 1.749 1020 C CB -1.391 26.387 27.740 0.064 0.000 1.963 1020 C HN 0.667 nan 8.230 nan 0.000 0.501 1021 L N 0.614 121.773 121.223 -0.107 0.000 2.056 1021 L HA -0.025 4.315 4.340 -0.001 0.000 0.207 1021 L C 2.240 179.000 176.870 -0.184 0.000 1.078 1021 L CA 1.652 56.421 54.840 -0.118 0.000 0.749 1021 L CB -0.862 41.108 42.059 -0.147 0.000 0.901 1021 L HN 0.241 nan 8.230 nan 0.000 0.433 1022 L N 0.005 121.003 121.223 -0.375 0.000 1.970 1022 L HA -0.224 4.116 4.340 -0.001 0.000 0.212 1022 L C 2.729 179.544 176.870 -0.092 0.000 1.071 1022 L CA 1.909 56.568 54.840 -0.301 0.000 0.751 1022 L CB -0.588 41.228 42.059 -0.406 0.000 0.889 1022 L HN 0.239 nan 8.230 nan 0.000 0.432 1023 R N -0.658 119.797 120.500 -0.075 0.000 2.127 1023 R HA -0.130 4.209 4.340 -0.001 0.000 0.238 1023 R C 2.269 178.594 176.300 0.042 0.000 1.134 1023 R CA 1.464 57.558 56.100 -0.010 0.000 0.975 1023 R CB -0.557 29.725 30.300 -0.031 0.000 0.865 1023 R HN 0.671 nan 8.270 nan 0.000 0.447 1024 S N -0.120 115.602 115.700 0.037 0.000 2.496 1024 S HA 0.074 4.544 4.470 -0.001 0.000 0.224 1024 S C 1.768 176.521 174.600 0.254 0.000 0.996 1024 S CA 0.129 58.407 58.200 0.130 0.000 0.927 1024 S CB 0.197 63.433 63.200 0.061 0.000 0.774 1024 S HN 0.126 nan 8.310 nan 0.000 0.524 1025 R N 1.000 121.602 120.500 0.170 0.000 2.140 1025 R HA 0.357 4.696 4.340 -0.001 0.000 0.213 1025 R C 1.030 177.513 176.300 0.305 0.000 1.059 1025 R CA 0.500 56.743 56.100 0.238 0.000 1.000 1025 R CB -0.560 29.835 30.300 0.157 0.000 0.910 1025 R HN 0.451 nan 8.270 nan 0.000 0.455 1026 L N 1.091 122.445 121.223 0.217 0.000 3.062 1026 L HA 0.408 4.747 4.340 -0.001 0.000 0.255 1026 L C 0.247 177.220 176.870 0.172 0.000 1.274 1026 L CA -0.557 54.429 54.840 0.245 0.000 1.047 1026 L CB 0.400 42.603 42.059 0.241 0.000 1.402 1026 L HN -0.111 nan 8.230 nan 0.000 0.550 1027 A N -0.163 122.747 122.820 0.149 0.000 2.407 1027 A HA 0.305 4.625 4.320 -0.001 0.000 0.248 1027 A C 1.460 179.059 177.584 0.026 0.000 1.082 1027 A CA -0.018 52.095 52.037 0.126 0.000 0.785 1027 A CB 0.467 19.630 19.000 0.270 0.000 1.020 1027 A HN 0.336 nan 8.150 nan 0.000 0.489 1028 T N 1.186 115.745 114.554 0.008 0.000 2.624 1028 T HA -0.241 4.109 4.350 -0.001 0.000 0.268 1028 T C 2.069 176.709 174.700 -0.101 0.000 1.041 1028 T CA 2.075 64.143 62.100 -0.053 0.000 1.159 1028 T CB -0.279 68.563 68.868 -0.044 0.000 0.863 1028 T HN 0.709 nan 8.240 nan 0.000 0.434 1029 R N 0.567 120.999 120.500 -0.113 0.000 2.083 1029 R HA -0.080 4.259 4.340 -0.001 0.000 0.237 1029 R C 2.726 178.881 176.300 -0.241 0.000 1.137 1029 R CA 1.225 57.225 56.100 -0.166 0.000 0.951 1029 R CB -0.092 30.096 30.300 -0.187 0.000 0.851 1029 R HN 0.238 nan 8.270 nan 0.000 0.434 1030 R N 0.011 120.321 120.500 -0.315 0.000 2.094 1030 R HA -0.139 4.201 4.340 -0.001 0.000 0.239 1030 R C 2.257 178.203 176.300 -0.590 0.000 1.137 1030 R CA 1.837 57.640 56.100 -0.495 0.000 0.943 1030 R CB -0.695 29.329 30.300 -0.461 0.000 0.850 1030 R HN 0.183 nan 8.270 nan 0.000 0.433 1031 V N 1.452 121.188 119.914 -0.296 0.000 2.332 1031 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 1031 V C 2.355 178.404 176.094 -0.075 0.000 1.055 1031 V CA 1.717 63.971 62.300 -0.076 0.000 1.038 1031 V CB -0.402 31.425 31.823 0.007 0.000 0.651 1031 V HN 0.254 nan 8.190 nan 0.000 0.450 1032 L N -1.060 120.090 121.223 -0.121 0.000 2.200 1032 L HA -0.028 4.312 4.340 -0.001 0.000 0.200 1032 L C 2.518 179.346 176.870 -0.070 0.000 1.072 1032 L CA 1.128 55.918 54.840 -0.082 0.000 0.787 1032 L CB -0.519 41.486 42.059 -0.090 0.000 0.957 1032 L HN 0.267 nan 8.230 nan 0.000 0.459 1033 Q N 0.538 120.268 119.800 -0.118 0.000 2.049 1033 Q HA -0.165 4.175 4.340 -0.001 0.000 0.198 1033 Q C 1.969 177.917 176.000 -0.086 0.000 0.971 1033 Q CA 1.663 57.406 55.803 -0.101 0.000 0.833 1033 Q CB 0.208 28.864 28.738 -0.137 0.000 0.896 1033 Q HN 0.423 nan 8.270 nan 0.000 0.434 1034 E N -1.176 118.915 120.200 -0.181 0.000 2.038 1034 E HA -0.075 4.275 4.350 -0.001 0.000 0.190 1034 E C 2.017 178.682 176.600 0.109 0.000 0.967 1034 E CA 0.913 57.233 56.400 -0.134 0.000 0.816 1034 E CB -0.192 29.309 29.700 -0.331 0.000 0.784 1034 E HN 0.466 nan 8.360 nan 0.000 0.456 1035 Y N 0.094 120.451 120.300 0.095 0.000 2.263 1035 Y HA 0.030 4.580 4.550 -0.001 0.000 0.292 1035 Y C 0.788 176.755 175.900 0.112 0.000 1.130 1035 Y CA -0.051 58.127 58.100 0.129 0.000 1.179 1035 Y CB 0.236 38.757 38.460 0.101 0.000 0.998 1035 Y HN -0.107 nan 8.280 nan 0.000 0.532 1036 R N -0.145 120.470 120.500 0.191 0.000 3.776 1036 R HA -0.185 4.155 4.340 -0.001 0.000 0.312 1036 R C -0.507 175.810 176.300 0.029 0.000 1.181 1036 R CA 0.343 56.484 56.100 0.068 0.000 0.836 1036 R CB -2.596 27.702 30.300 -0.003 0.000 1.324 1036 R HN 0.366 nan 8.270 nan 0.000 0.501 1037 L N 1.379 122.664 121.223 0.103 0.000 2.506 1037 L HA 0.019 4.359 4.340 -0.001 0.000 0.281 1037 L C 1.714 178.589 176.870 0.008 0.000 1.228 1037 L CA 0.973 55.861 54.840 0.080 0.000 0.850 1037 L CB 0.160 42.345 42.059 0.210 0.000 1.110 1037 L HN 0.193 nan 8.230 nan 0.000 0.496 1038 T N -1.162 113.371 114.554 -0.036 0.000 2.897 1038 T HA 0.206 4.555 4.350 -0.001 0.000 0.278 1038 T C 0.773 175.454 174.700 -0.032 0.000 0.981 1038 T CA -0.865 61.201 62.100 -0.057 0.000 0.973 1038 T CB 1.577 70.393 68.868 -0.085 0.000 1.092 1038 T HN 0.547 nan 8.240 nan 0.000 0.543 1039 K N -0.028 120.356 120.400 -0.028 0.000 2.209 1039 K HA -0.141 4.179 4.320 -0.001 0.000 0.204 1039 K C 2.256 178.873 176.600 0.027 0.000 1.048 1039 K CA 1.685 57.989 56.287 0.029 0.000 0.940 1039 K CB -0.406 32.100 32.500 0.010 0.000 0.729 1039 K HN 0.748 nan 8.250 nan 0.000 0.451 1040 Q N -0.729 119.008 119.800 -0.104 0.000 2.062 1040 Q HA -0.025 4.315 4.340 -0.001 0.000 0.196 1040 Q C 1.931 177.623 176.000 -0.514 0.000 0.967 1040 Q CA 1.277 56.940 55.803 -0.234 0.000 0.832 1040 Q CB -0.239 28.341 28.738 -0.264 0.000 0.899 1040 Q HN 0.390 nan 8.270 nan 0.000 0.442 1041 A N 0.375 122.747 122.820 -0.746 0.000 1.902 1041 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 1041 A C 1.859 179.402 177.584 -0.068 0.000 1.181 1041 A CA 1.248 52.805 52.037 -0.800 0.000 0.623 1041 A CB -0.979 17.741 19.000 -0.468 0.000 0.818 1041 A HN 0.608 nan 8.150 nan 0.000 0.443 1042 F N 1.402 121.292 119.950 -0.100 0.000 2.095 1042 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 1042 F C 1.630 177.457 175.800 0.046 0.000 1.104 1042 F CA 2.278 60.286 58.000 0.013 0.000 1.232 1042 F CB -0.503 38.497 39.000 0.001 0.000 0.987 1042 F HN 0.293 nan 8.300 nan 0.000 0.475 1043 D N -1.102 119.306 120.400 0.013 0.000 2.218 1043 D HA -0.224 4.416 4.640 -0.001 0.000 0.204 1043 D C 1.650 177.934 176.300 -0.027 0.000 0.976 1043 D CA 1.410 55.373 54.000 -0.062 0.000 0.853 1043 D CB -0.483 40.354 40.800 0.062 0.000 0.939 1043 D HN 0.555 nan 8.370 nan 0.000 0.481 1044 W N 0.478 121.699 121.300 -0.132 0.000 2.418 1044 W HA -0.091 4.568 4.660 -0.001 0.000 0.292 1044 W C 1.804 178.296 176.519 -0.046 0.000 1.213 1044 W CA 0.750 58.084 57.345 -0.018 0.000 1.283 1044 W CB -0.206 29.335 29.460 0.135 0.000 1.119 1044 W HN -0.227 nan 8.180 nan 0.000 0.542 1045 V N 1.349 121.282 119.914 0.033 0.000 2.295 1045 V HA -0.331 3.789 4.120 -0.001 0.000 0.246 1045 V C 2.333 178.256 176.094 -0.285 0.000 1.049 1045 V CA 2.029 64.241 62.300 -0.146 0.000 1.024 1045 V CB -1.064 30.731 31.823 -0.048 0.000 0.648 1045 V HN 0.211 nan 8.190 nan 0.000 0.447 1046 L N 0.858 121.861 121.223 -0.367 0.000 2.046 1046 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 1046 L C 2.716 179.457 176.870 -0.215 0.000 1.077 1046 L CA 2.007 56.660 54.840 -0.313 0.000 0.747 1046 L CB -0.938 40.886 42.059 -0.391 0.000 0.896 1046 L HN 0.567 nan 8.230 nan 0.000 0.432 1047 S N -0.903 114.665 115.700 -0.219 0.000 2.406 1047 S HA -0.125 4.345 4.470 -0.001 0.000 0.228 1047 S C 1.795 176.263 174.600 -0.219 0.000 1.020 1047 S CA 0.845 58.938 58.200 -0.177 0.000 0.965 1047 S CB -0.398 62.719 63.200 -0.138 0.000 0.798 1047 S HN 0.388 nan 8.310 nan 0.000 0.488 1048 N N 1.937 120.419 118.700 -0.364 0.000 2.106 1048 N HA 0.096 4.835 4.740 -0.001 0.000 0.188 1048 N C 1.734 177.137 175.510 -0.178 0.000 1.029 1048 N CA 1.483 54.309 53.050 -0.373 0.000 0.848 1048 N CB -0.441 37.650 38.487 -0.661 0.000 1.007 1048 N HN 0.464 nan 8.380 nan 0.000 0.423 1049 I N 1.334 121.826 120.570 -0.131 0.000 2.264 1049 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 1049 I C 2.435 178.583 176.117 0.053 0.000 1.111 1049 I CA 1.139 62.446 61.300 0.013 0.000 1.382 1049 I CB -0.207 37.824 38.000 0.051 0.000 1.060 1049 I HN 0.269 nan 8.210 nan 0.000 0.418 1050 E N 1.188 121.381 120.200 -0.013 0.000 2.072 1050 E HA -0.213 4.137 4.350 -0.001 0.000 0.191 1050 E C 2.289 178.916 176.600 0.045 0.000 0.985 1050 E CA 1.173 57.578 56.400 0.009 0.000 0.801 1050 E CB 0.022 29.700 29.700 -0.037 0.000 0.750 1050 E HN 0.472 nan 8.360 nan 0.000 0.452 1051 A N 0.989 123.803 122.820 -0.009 0.000 1.858 1051 A HA -0.251 4.068 4.320 -0.001 0.000 0.216 1051 A C 2.121 179.714 177.584 0.015 0.000 1.190 1051 A CA 1.727 53.758 52.037 -0.009 0.000 0.617 1051 A CB -0.677 18.292 19.000 -0.051 0.000 0.827 1051 A HN 0.319 nan 8.150 nan 0.000 0.443 1052 Q N -1.863 117.946 119.800 0.015 0.000 2.061 1052 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 1052 Q C 1.913 177.924 176.000 0.018 0.000 0.984 1052 Q CA 1.754 57.574 55.803 0.028 0.000 0.846 1052 Q CB -0.312 28.447 28.738 0.035 0.000 0.902 1052 Q HN 0.726 nan 8.270 nan 0.000 0.421 1053 F N 1.022 120.910 119.950 -0.104 0.000 2.043 1053 F HA -0.262 4.265 4.527 -0.001 0.000 0.297 1053 F C 1.794 177.511 175.800 -0.138 0.000 1.121 1053 F CA 1.487 59.378 58.000 -0.181 0.000 1.199 1053 F CB -0.166 38.702 39.000 -0.219 0.000 0.968 1053 F HN -0.007 nan 8.300 nan 0.000 0.478 1054 L N -0.021 121.279 121.223 0.128 0.000 2.187 1054 L HA -0.206 4.134 4.340 -0.001 0.000 0.213 1054 L C 2.477 179.286 176.870 -0.101 0.000 1.100 1054 L CA 1.354 56.212 54.840 0.030 0.000 0.765 1054 L CB -0.634 41.465 42.059 0.066 0.000 0.904 1054 L HN 0.149 nan 8.230 nan 0.000 0.437 1055 R N -0.647 119.793 120.500 -0.099 0.000 2.299 1055 R HA -0.014 4.326 4.340 -0.001 0.000 0.197 1055 R C 1.621 177.736 176.300 -0.309 0.000 0.971 1055 R CA 0.588 56.618 56.100 -0.118 0.000 1.030 1055 R CB 0.210 30.494 30.300 -0.027 0.000 0.932 1055 R HN 0.199 nan 8.270 nan 0.000 0.477 1056 S N -0.434 115.051 115.700 -0.359 0.000 2.511 1056 S HA 0.130 4.599 4.470 -0.001 0.000 0.214 1056 S C 0.267 174.626 174.600 -0.402 0.000 0.997 1056 S CA -0.359 57.562 58.200 -0.465 0.000 0.908 1056 S CB 0.813 63.797 63.200 -0.360 0.000 0.803 1056 S HN -0.028 nan 8.310 nan 0.000 0.504 1057 V N 2.530 122.240 119.914 -0.339 0.000 2.740 1057 V HA 0.128 4.248 4.120 -0.001 0.000 0.303 1057 V C 0.661 176.724 176.094 -0.051 0.000 1.054 1057 V CA -0.344 61.835 62.300 -0.202 0.000 1.106 1057 V CB 1.139 32.868 31.823 -0.156 0.000 0.957 1057 V HN 0.200 nan 8.190 nan 0.000 0.486 1058 V N 5.660 125.584 119.914 0.017 0.000 2.715 1058 V HA 0.133 4.253 4.120 -0.001 0.000 0.299 1058 V C 0.415 176.579 176.094 0.117 0.000 1.054 1058 V CA -0.091 62.254 62.300 0.076 0.000 1.077 1058 V CB 0.365 32.240 31.823 0.086 0.000 0.972 1058 V HN 0.880 nan 8.190 nan 0.000 0.484 1059 H N 6.606 125.601 119.070 -0.124 0.000 2.690 1059 H HA 0.274 4.829 4.556 -0.001 0.000 0.314 1059 H C -2.288 172.918 175.328 -0.203 0.000 1.069 1059 H CA -1.916 54.052 56.048 -0.134 0.000 1.436 1059 H CB 1.135 30.835 29.762 -0.103 0.000 1.462 1059 H HN 0.545 nan 8.280 nan 0.000 0.511 1060 P HA -0.038 nan 4.420 nan 0.000 0.265 1060 P C 0.882 177.951 177.300 -0.387 0.000 1.193 1060 P CA 1.055 63.887 63.100 -0.446 0.000 0.765 1060 P CB 0.695 31.806 31.700 -0.982 0.000 0.823 1061 G N 1.382 109.975 108.800 -0.345 0.000 2.211 1061 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.201 1061 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.201 1061 G C 0.071 174.867 174.900 -0.172 0.000 0.997 1061 G CA -0.510 44.455 45.100 -0.224 0.000 0.652 1061 G HN 0.480 nan 8.290 nan 0.000 0.500 1062 E N 1.310 121.397 120.200 -0.190 0.000 2.415 1062 E HA 0.216 4.566 4.350 -0.001 0.000 0.260 1062 E C 0.817 177.302 176.600 -0.191 0.000 1.016 1062 E CA 0.047 56.334 56.400 -0.188 0.000 0.924 1062 E CB 0.349 29.897 29.700 -0.252 0.000 0.961 1062 E HN 0.187 nan 8.360 nan 0.000 0.459 1063 M N 4.454 123.969 119.600 -0.141 0.000 3.436 1063 M HA 0.018 4.498 4.480 -0.001 0.000 0.240 1063 M C 1.174 177.411 176.300 -0.105 0.000 1.469 1063 M CA -0.244 54.988 55.300 -0.114 0.000 1.622 1063 M CB -0.676 31.872 32.600 -0.086 0.000 1.098 1063 M HN 0.213 nan 8.290 nan 0.000 0.568 1064 V N 1.406 121.230 119.914 -0.150 0.000 2.594 1064 V HA -0.198 3.921 4.120 -0.001 0.000 0.253 1064 V C 2.181 178.277 176.094 0.002 0.000 1.069 1064 V CA 2.376 64.603 62.300 -0.122 0.000 1.082 1064 V CB -0.789 30.830 31.823 -0.341 0.000 0.680 1064 V HN 0.833 nan 8.190 nan 0.000 0.469 1065 G N -0.527 108.262 108.800 -0.017 0.000 2.414 1065 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.215 1065 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.215 1065 G C 1.669 176.565 174.900 -0.006 0.000 1.188 1065 G CA 1.106 46.208 45.100 0.004 0.000 0.783 1065 G HN 0.362 nan 8.290 nan 0.000 0.537 1066 V N 0.818 120.715 119.914 -0.028 0.000 2.343 1066 V HA -0.141 3.979 4.120 -0.001 0.000 0.247 1066 V C 2.725 178.795 176.094 -0.040 0.000 1.051 1066 V CA 1.630 63.908 62.300 -0.038 0.000 1.036 1066 V CB -0.480 31.316 31.823 -0.045 0.000 0.654 1066 V HN 0.331 nan 8.190 nan 0.000 0.451 1067 L N 0.775 121.979 121.223 -0.033 0.000 2.042 1067 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 1067 L C 2.439 179.264 176.870 -0.075 0.000 1.076 1067 L CA 2.480 57.294 54.840 -0.043 0.000 0.749 1067 L CB -0.900 41.167 42.059 0.013 0.000 0.893 1067 L HN 0.240 nan 8.230 nan 0.000 0.432 1068 A N -0.599 122.247 122.820 0.043 0.000 1.858 1068 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 1068 A C 2.472 180.038 177.584 -0.030 0.000 1.190 1068 A CA 2.029 54.115 52.037 0.082 0.000 0.617 1068 A CB -1.363 17.733 19.000 0.159 0.000 0.827 1068 A HN 0.581 nan 8.150 nan 0.000 0.443 1069 A N -0.558 122.243 122.820 -0.030 0.000 1.873 1069 A HA -0.306 4.014 4.320 -0.001 0.000 0.218 1069 A C 2.139 179.677 177.584 -0.076 0.000 1.193 1069 A CA 2.020 54.025 52.037 -0.053 0.000 0.629 1069 A CB -0.847 18.120 19.000 -0.055 0.000 0.826 1069 A HN 0.673 nan 8.150 nan 0.000 0.447 1070 Q N -0.457 119.296 119.800 -0.077 0.000 2.124 1070 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 1070 Q C 2.315 178.259 176.000 -0.093 0.000 0.977 1070 Q CA 1.587 57.348 55.803 -0.070 0.000 0.850 1070 Q CB -0.213 28.506 28.738 -0.032 0.000 0.901 1070 Q HN 0.647 nan 8.270 nan 0.000 0.429 1071 S N 0.296 115.892 115.700 -0.173 0.000 2.474 1071 S HA -0.031 4.439 4.470 -0.001 0.000 0.235 1071 S C 1.742 176.248 174.600 -0.157 0.000 0.997 1071 S CA 0.770 58.823 58.200 -0.244 0.000 0.949 1071 S CB 0.029 62.825 63.200 -0.673 0.000 0.766 1071 S HN 0.307 nan 8.310 nan 0.000 0.517 1072 I N 0.240 120.740 120.570 -0.116 0.000 3.039 1072 I HA 0.122 4.292 4.170 -0.001 0.000 0.270 1072 I C 2.592 178.652 176.117 -0.094 0.000 1.150 1072 I CA 0.623 61.871 61.300 -0.087 0.000 1.448 1072 I CB -0.623 37.341 38.000 -0.060 0.000 1.197 1072 I HN 0.307 nan 8.210 nan 0.000 0.450 1073 G N 0.519 109.260 108.800 -0.098 0.000 2.402 1073 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 1073 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 1073 G C 1.519 176.346 174.900 -0.122 0.000 1.162 1073 G CA 0.361 45.400 45.100 -0.101 0.000 0.777 1073 G HN 0.236 nan 8.290 nan 0.000 0.539 1074 E N 1.114 121.220 120.200 -0.157 0.000 2.049 1074 E HA -0.132 4.218 4.350 -0.001 0.000 0.198 1074 E C 0.190 176.665 176.600 -0.208 0.000 1.007 1074 E CA 1.693 57.946 56.400 -0.246 0.000 0.809 1074 E CB -0.782 28.646 29.700 -0.453 0.000 0.749 1074 E HN 0.375 nan 8.360 nan 0.000 0.450 1075 P HA -0.028 nan 4.420 nan 0.000 0.225 1075 P C 0.837 178.081 177.300 -0.094 0.000 1.156 1075 P CA 1.304 64.334 63.100 -0.117 0.000 0.787 1075 P CB -0.079 31.566 31.700 -0.093 0.000 0.802 1076 A N -0.280 122.484 122.820 -0.092 0.000 2.239 1076 A HA 0.030 4.350 4.320 -0.001 0.000 0.209 1076 A C 1.416 178.960 177.584 -0.067 0.000 1.171 1076 A CA 1.005 52.998 52.037 -0.073 0.000 0.768 1076 A CB -1.182 17.776 19.000 -0.070 0.000 0.790 1076 A HN 0.143 nan 8.150 nan 0.000 0.478 1077 T N 0.192 114.696 114.554 -0.082 0.000 3.258 1077 T HA 0.254 4.604 4.350 -0.001 0.000 0.259 1077 T C 0.434 175.091 174.700 -0.072 0.000 0.963 1077 T CA -0.070 61.985 62.100 -0.075 0.000 0.919 1077 T CB 0.054 68.868 68.868 -0.090 0.000 1.110 1077 T HN 0.430 nan 8.240 nan 0.000 0.550 1078 Q N 0.070 119.832 119.800 -0.062 0.000 1.921 1078 Q HA 0.270 4.610 4.340 -0.001 0.000 0.192 1078 Q C -0.119 175.857 176.000 -0.040 0.000 0.755 1078 Q CA 0.057 55.829 55.803 -0.053 0.000 0.904 1078 Q CB 0.631 29.334 28.738 -0.058 0.000 1.222 1078 Q HN 0.524 nan 8.270 nan 0.000 0.417 1079 M N 1.602 121.179 119.600 -0.039 0.000 2.105 1079 M HA 0.362 4.842 4.480 -0.001 0.000 0.350 1079 M C -0.441 175.845 176.300 -0.024 0.000 1.308 1079 M CA 0.537 55.819 55.300 -0.031 0.000 1.108 1079 M CB 1.012 33.592 32.600 -0.033 0.000 1.622 1079 M HN -0.240 nan 8.290 nan 0.000 0.468 1080 T N 4.838 119.381 114.554 -0.018 0.000 2.971 1080 T HA 0.827 5.176 4.350 -0.001 0.000 0.304 1080 T C -0.602 174.094 174.700 -0.008 0.000 1.038 1080 T CA -0.586 61.505 62.100 -0.014 0.000 1.007 1080 T CB 1.785 70.644 68.868 -0.015 0.000 1.055 1080 T HN 0.615 nan 8.240 nan 0.000 0.451 1093 K N 2.446 122.862 120.400 0.026 0.000 2.231 1093 K HA 0.361 4.680 4.320 -0.001 0.000 0.255 1093 K C -0.434 176.182 176.600 0.027 0.000 1.108 1093 K CA -0.169 56.131 56.287 0.021 0.000 0.997 1093 K CB 1.111 33.620 32.500 0.015 0.000 1.549 1093 K HN -0.116 nan 8.250 nan 0.000 0.419 1094 V N -0.019 119.911 119.914 0.027 0.000 3.554 1094 V HA 0.390 4.510 4.120 -0.001 0.000 0.309 1094 V C -0.446 175.663 176.094 0.025 0.000 1.435 1094 V CA -0.892 61.428 62.300 0.032 0.000 0.978 1094 V CB 2.249 34.099 31.823 0.046 0.000 1.144 1094 V HN 0.420 nan 8.190 nan 0.000 0.479 1095 T N 1.529 116.101 114.554 0.030 0.000 2.890 1095 T HA 0.692 5.042 4.350 -0.001 0.000 0.295 1095 T C -0.389 174.327 174.700 0.027 0.000 0.993 1095 T CA -0.275 61.840 62.100 0.025 0.000 0.979 1095 T CB 1.334 70.217 68.868 0.025 0.000 0.967 1095 T HN 0.947 nan 8.240 nan 0.000 0.441 1096 S N 1.891 117.601 115.700 0.017 0.000 2.998 1096 S HA 0.971 5.440 4.470 -0.001 0.000 0.307 1096 S C 0.713 175.315 174.600 0.003 0.000 1.063 1096 S CA -0.422 57.785 58.200 0.011 0.000 0.895 1096 S CB 0.499 63.702 63.200 0.005 0.000 1.362 1096 S HN 1.374 nan 8.310 nan 0.000 0.657 1097 G N -0.103 108.693 108.800 -0.008 0.000 2.774 1097 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.279 1097 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.279 1097 G C 0.707 175.602 174.900 -0.008 0.000 1.372 1097 G CA -0.073 45.020 45.100 -0.012 0.000 0.913 1097 G HN 1.442 nan 8.290 nan 0.000 0.562 1098 V N 2.198 122.106 119.914 -0.010 0.000 2.313 1098 V HA -0.234 3.886 4.120 -0.001 0.000 0.253 1098 V C 0.982 177.081 176.094 0.008 0.000 1.070 1098 V CA 3.182 65.479 62.300 -0.004 0.000 1.057 1098 V CB -1.599 30.222 31.823 -0.003 0.000 0.653 1098 V HN 0.811 nan 8.190 nan 0.000 0.450 1099 P HA -0.228 nan 4.420 nan 0.000 0.215 1099 P C 1.612 178.926 177.300 0.023 0.000 1.157 1099 P CA 1.900 65.009 63.100 0.014 0.000 0.874 1099 P CB -0.087 31.619 31.700 0.009 0.000 0.790 1100 R N 0.168 120.682 120.500 0.023 0.000 2.073 1100 R HA -0.065 4.275 4.340 -0.001 0.000 0.229 1100 R C 2.328 178.654 176.300 0.044 0.000 1.120 1100 R CA 0.994 57.116 56.100 0.038 0.000 0.967 1100 R CB -1.905 28.418 30.300 0.037 0.000 0.862 1100 R HN 0.088 nan 8.270 nan 0.000 0.436 1101 L N 1.228 122.465 121.223 0.023 0.000 2.042 1101 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 1101 L C 2.124 179.008 176.870 0.025 0.000 1.076 1101 L CA 2.111 56.959 54.840 0.014 0.000 0.749 1101 L CB -0.734 41.319 42.059 -0.011 0.000 0.893 1101 L HN 0.302 nan 8.230 nan 0.000 0.432 1102 K N -0.625 119.793 120.400 0.029 0.000 2.147 1102 K HA -0.241 4.079 4.320 -0.001 0.000 0.205 1102 K C 2.124 178.756 176.600 0.053 0.000 1.049 1102 K CA 1.612 57.924 56.287 0.041 0.000 0.936 1102 K CB -0.110 32.421 32.500 0.053 0.000 0.722 1102 K HN 0.529 nan 8.250 nan 0.000 0.446 1103 E N 0.445 120.681 120.200 0.060 0.000 2.106 1103 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 1103 E C 1.882 178.562 176.600 0.133 0.000 0.984 1103 E CA 0.995 57.439 56.400 0.074 0.000 0.806 1103 E CB 0.050 29.787 29.700 0.062 0.000 0.750 1103 E HN 0.331 nan 8.360 nan 0.000 0.458 1104 I N 0.544 121.209 120.570 0.158 0.000 2.141 1104 I HA -0.276 3.894 4.170 -0.001 0.000 0.236 1104 I C 2.265 178.488 176.117 0.178 0.000 1.071 1104 I CA 0.861 62.311 61.300 0.250 0.000 1.345 1104 I CB -0.283 37.788 38.000 0.119 0.000 1.066 1104 I HN 0.164 nan 8.210 nan 0.000 0.406 1105 L N 0.681 121.942 121.223 0.064 0.000 2.189 1105 L HA -0.235 4.105 4.340 -0.001 0.000 0.214 1105 L C 1.979 178.865 176.870 0.026 0.000 1.097 1105 L CA 1.084 55.934 54.840 0.017 0.000 0.764 1105 L CB -0.840 41.201 42.059 -0.031 0.000 0.900 1105 L HN 0.381 nan 8.230 nan 0.000 0.436 1106 N N -0.376 118.357 118.700 0.055 0.000 2.446 1106 N HA -0.009 4.731 4.740 -0.001 0.000 0.179 1106 N C 0.667 176.234 175.510 0.095 0.000 1.054 1106 N CA 0.404 53.472 53.050 0.030 0.000 0.905 1106 N CB 0.537 39.044 38.487 0.034 0.000 0.973 1106 N HN -0.001 nan 8.380 nan 0.000 0.448 1107 V N 0.608 120.638 119.914 0.193 0.000 5.961 1107 V HA -0.266 3.854 4.120 -0.001 0.000 0.311 1107 V C 0.335 176.481 176.094 0.085 0.000 0.552 1107 V CA 0.390 62.832 62.300 0.237 0.000 0.641 1107 V CB -2.586 29.399 31.823 0.269 0.000 0.286 1107 V HN 0.384 nan 8.190 nan 0.000 0.939 1108 A N 1.101 123.945 122.820 0.040 0.000 2.409 1108 A HA 0.591 4.911 4.320 -0.001 0.000 0.262 1108 A C 1.001 178.546 177.584 -0.065 0.000 1.113 1108 A CA 0.368 52.404 52.037 -0.001 0.000 0.790 1108 A CB 0.757 19.760 19.000 0.005 0.000 1.046 1108 A HN 0.557 nan 8.150 nan 0.000 0.496 1109 K N 1.629 122.000 120.400 -0.048 0.000 2.418 1109 K HA 0.026 4.346 4.320 -0.001 0.000 0.195 1109 K C -0.176 176.382 176.600 -0.069 0.000 1.035 1109 K CA 0.964 57.206 56.287 -0.074 0.000 1.003 1109 K CB 0.138 32.612 32.500 -0.044 0.000 0.793 1109 K HN 0.664 nan 8.250 nan 0.000 0.494 1110 N N 1.338 120.009 118.700 -0.048 0.000 3.112 1110 N HA 0.122 4.862 4.740 -0.001 0.000 0.270 1110 N C -0.595 174.893 175.510 -0.037 0.000 1.385 1110 N CA -0.099 52.927 53.050 -0.040 0.000 0.986 1110 N CB 0.524 38.998 38.487 -0.023 0.000 1.261 1110 N HN 0.159 nan 8.380 nan 0.000 0.495 1111 M N 0.369 119.938 119.600 -0.053 0.000 2.245 1111 M HA -0.003 4.477 4.480 -0.001 0.000 0.312 1111 M C 1.632 177.919 176.300 -0.023 0.000 1.070 1111 M CA 0.653 55.929 55.300 -0.039 0.000 1.162 1111 M CB 1.128 33.696 32.600 -0.053 0.000 1.448 1111 M HN 0.134 nan 8.290 nan 0.000 0.446 1112 K N 0.281 120.675 120.400 -0.010 0.000 2.186 1112 K HA 0.023 4.343 4.320 -0.001 0.000 0.202 1112 K C 0.373 176.971 176.600 -0.004 0.000 1.052 1112 K CA 0.967 57.250 56.287 -0.005 0.000 0.965 1112 K CB 0.313 32.814 32.500 0.001 0.000 0.746 1112 K HN 0.641 nan 8.250 nan 0.000 0.457 1113 T N 2.345 116.898 114.554 -0.001 0.000 3.532 1113 T HA 0.211 4.561 4.350 -0.001 0.000 0.241 1113 T C -2.730 171.969 174.700 -0.002 0.000 1.238 1113 T CA -1.186 60.916 62.100 0.003 0.000 1.405 1113 T CB 1.060 69.937 68.868 0.016 0.000 0.971 1113 T HN -0.113 nan 8.240 nan 0.000 0.640 1114 P HA 0.147 nan 4.420 nan 0.000 0.254 1114 P C -0.209 177.080 177.300 -0.018 0.000 1.186 1114 P CA 0.444 63.525 63.100 -0.031 0.000 0.868 1114 P CB 0.241 31.916 31.700 -0.042 0.000 0.856 1115 S N 3.471 119.165 115.700 -0.011 0.000 2.648 1115 S HA 0.750 5.220 4.470 -0.001 0.000 0.305 1115 S C -1.183 173.413 174.600 -0.006 0.000 1.094 1115 S CA -0.630 57.575 58.200 0.008 0.000 0.983 1115 S CB 0.553 63.778 63.200 0.042 0.000 1.101 1115 S HN 0.176 nan 8.310 nan 0.000 0.514 1116 L N 2.173 123.407 121.223 0.018 0.000 2.408 1116 L HA 0.627 4.967 4.340 -0.001 0.000 0.268 1116 L C -0.785 176.126 176.870 0.068 0.000 0.986 1116 L CA 0.088 54.941 54.840 0.023 0.000 0.820 1116 L CB 2.279 44.346 42.059 0.013 0.000 1.303 1116 L HN 0.743 nan 8.230 nan 0.000 0.411 1117 T N 3.740 118.369 114.554 0.126 0.000 2.833 1117 T HA 0.571 4.920 4.350 -0.001 0.000 0.297 1117 T C -0.777 173.974 174.700 0.085 0.000 1.015 1117 T CA -0.412 61.759 62.100 0.118 0.000 0.963 1117 T CB 1.034 70.060 68.868 0.263 0.000 0.955 1117 T HN 0.484 nan 8.240 nan 0.000 0.449 1118 V N 2.401 122.287 119.914 -0.046 0.000 2.459 1118 V HA 0.758 4.877 4.120 -0.001 0.000 0.295 1118 V C -1.405 174.600 176.094 -0.148 0.000 1.029 1118 V CA -0.856 61.447 62.300 0.005 0.000 0.874 1118 V CB 0.719 32.561 31.823 0.032 0.000 0.985 1118 V HN 0.699 nan 8.190 nan 0.000 0.438 1119 Y N 3.953 124.312 120.300 0.099 0.000 2.419 1119 Y HA 0.755 5.305 4.550 -0.001 0.000 0.328 1119 Y C 0.088 176.039 175.900 0.085 0.000 1.162 1119 Y CA -0.917 57.240 58.100 0.096 0.000 1.174 1119 Y CB 1.625 40.146 38.460 0.101 0.000 1.228 1119 Y HN 0.559 nan 8.280 nan 0.000 0.473 1120 L N 1.041 122.397 121.223 0.222 0.000 2.399 1120 L HA 0.250 4.589 4.340 -0.001 0.000 0.265 1120 L C 0.328 177.303 176.870 0.175 0.000 1.089 1120 L CA -0.790 54.152 54.840 0.170 0.000 0.802 1120 L CB 0.691 42.848 42.059 0.164 0.000 1.180 1120 L HN 0.610 nan 8.230 nan 0.000 0.454 1121 E N 2.733 123.026 120.200 0.154 0.000 2.502 1121 E HA -0.081 4.268 4.350 -0.001 0.000 0.261 1121 E C -1.698 174.986 176.600 0.139 0.000 0.974 1121 E CA -0.881 55.606 56.400 0.145 0.000 0.936 1121 E CB 0.704 30.503 29.700 0.165 0.000 0.926 1121 E HN 0.363 nan 8.360 nan 0.000 0.459 1122 P HA -0.228 nan 4.420 nan 0.000 0.212 1122 P C 0.722 178.020 177.300 -0.003 0.000 1.128 1122 P CA 2.080 65.205 63.100 0.041 0.000 0.961 1122 P CB -0.125 31.586 31.700 0.018 0.000 0.782 1123 G N -1.742 107.008 108.800 -0.084 0.000 3.318 1123 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.230 1123 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.230 1123 G C -0.096 174.450 174.900 -0.589 0.000 1.317 1123 G CA 0.337 45.269 45.100 -0.280 0.000 1.197 1123 G HN 0.451 nan 8.290 nan 0.000 0.514 1124 H N -0.970 118.135 119.070 0.059 0.000 2.826 1124 H HA 0.338 4.893 4.556 -0.001 0.000 0.255 1124 H C 0.406 175.798 175.328 0.106 0.000 1.427 1124 H CA -0.074 56.017 56.048 0.072 0.000 1.521 1124 H CB 0.692 30.489 29.762 0.057 0.000 1.934 1124 H HN 0.212 nan 8.280 nan 0.000 0.644 1125 A N 0.264 123.202 122.820 0.198 0.000 2.427 1125 A HA 0.491 4.811 4.320 -0.001 0.000 0.225 1125 A C 1.703 179.440 177.584 0.255 0.000 1.257 1125 A CA 0.785 52.947 52.037 0.209 0.000 0.985 1125 A CB 0.469 19.547 19.000 0.130 0.000 1.136 1125 A HN 0.411 nan 8.150 nan 0.000 0.538 1126 A N -0.183 122.777 122.820 0.234 0.000 2.252 1126 A HA 0.228 4.548 4.320 -0.001 0.000 0.213 1126 A C -0.111 177.714 177.584 0.402 0.000 1.188 1126 A CA 0.103 52.294 52.037 0.256 0.000 0.863 1126 A CB -0.004 19.073 19.000 0.129 0.000 0.893 1126 A HN 0.226 nan 8.150 nan 0.000 0.495 1127 D N 1.036 121.625 120.400 0.316 0.000 2.455 1127 D HA 0.105 4.744 4.640 -0.001 0.000 0.234 1127 D C 1.119 177.430 176.300 0.019 0.000 1.224 1127 D CA 0.198 54.306 54.000 0.179 0.000 0.999 1127 D CB 0.949 41.834 40.800 0.141 0.000 1.072 1127 D HN 0.497 nan 8.370 nan 0.000 0.514 1128 Q N 1.896 121.658 119.800 -0.064 0.000 2.268 1128 Q HA -0.242 4.097 4.340 -0.001 0.000 0.210 1128 Q C 1.482 177.241 176.000 -0.401 0.000 0.988 1128 Q CA 1.558 57.010 55.803 -0.585 0.000 0.883 1128 Q CB 0.125 28.643 28.738 -0.367 0.000 0.911 1128 Q HN 0.470 nan 8.270 nan 0.000 0.430 1129 E N -0.549 119.537 120.200 -0.190 0.000 2.107 1129 E HA -0.209 4.140 4.350 -0.001 0.000 0.191 1129 E C 1.862 178.372 176.600 -0.151 0.000 0.982 1129 E CA 1.061 57.369 56.400 -0.152 0.000 0.809 1129 E CB 0.029 29.678 29.700 -0.085 0.000 0.756 1129 E HN 0.605 nan 8.360 nan 0.000 0.459 1130 Q N 0.042 119.768 119.800 -0.123 0.000 2.137 1130 Q HA -0.076 4.264 4.340 -0.001 0.000 0.198 1130 Q C 2.005 177.929 176.000 -0.127 0.000 0.960 1130 Q CA 0.989 56.722 55.803 -0.117 0.000 0.847 1130 Q CB -0.027 28.648 28.738 -0.104 0.000 0.915 1130 Q HN 0.201 nan 8.270 nan 0.000 0.448 1131 A N 1.755 124.475 122.820 -0.167 0.000 1.873 1131 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 1131 A C 1.999 179.454 177.584 -0.215 0.000 1.193 1131 A CA 1.896 53.819 52.037 -0.190 0.000 0.629 1131 A CB -0.497 18.282 19.000 -0.368 0.000 0.826 1131 A HN 0.377 nan 8.150 nan 0.000 0.447 1132 K N -0.416 119.821 120.400 -0.273 0.000 2.063 1132 K HA -0.085 4.235 4.320 -0.001 0.000 0.208 1132 K C 1.949 178.441 176.600 -0.180 0.000 1.048 1132 K CA 1.349 57.487 56.287 -0.249 0.000 0.928 1132 K CB -0.441 31.906 32.500 -0.255 0.000 0.713 1132 K HN 0.483 nan 8.250 nan 0.000 0.442 1133 L N 0.856 121.990 121.223 -0.148 0.000 1.976 1133 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 1133 L C 2.478 179.291 176.870 -0.095 0.000 1.071 1133 L CA 1.452 56.224 54.840 -0.113 0.000 0.746 1133 L CB -0.582 41.416 42.059 -0.102 0.000 0.890 1133 L HN 0.180 nan 8.230 nan 0.000 0.432 1134 I N -0.436 120.082 120.570 -0.087 0.000 2.335 1134 I HA -0.330 3.840 4.170 -0.001 0.000 0.251 1134 I C 2.872 178.952 176.117 -0.061 0.000 1.129 1134 I CA 1.135 62.398 61.300 -0.060 0.000 1.402 1134 I CB -0.469 37.506 38.000 -0.043 0.000 1.069 1134 I HN 0.344 nan 8.210 nan 0.000 0.424 1135 R N 1.444 121.889 120.500 -0.092 0.000 2.080 1135 R HA -0.201 4.139 4.340 -0.001 0.000 0.236 1135 R C 2.428 178.683 176.300 -0.074 0.000 1.137 1135 R CA 2.306 58.350 56.100 -0.092 0.000 0.943 1135 R CB -0.374 29.829 30.300 -0.162 0.000 0.846 1135 R HN 0.448 nan 8.270 nan 0.000 0.431 1136 S N -0.312 115.330 115.700 -0.096 0.000 2.474 1136 S HA 0.033 4.503 4.470 -0.001 0.000 0.235 1136 S C 1.832 176.404 174.600 -0.047 0.000 0.997 1136 S CA 0.693 58.850 58.200 -0.072 0.000 0.949 1136 S CB 0.161 63.307 63.200 -0.089 0.000 0.766 1136 S HN 0.471 nan 8.310 nan 0.000 0.517 1137 A N 0.370 123.163 122.820 -0.044 0.000 2.251 1137 A HA 0.516 4.835 4.320 -0.001 0.000 0.209 1137 A C 1.759 179.337 177.584 -0.009 0.000 1.187 1137 A CA 0.108 52.127 52.037 -0.029 0.000 0.823 1137 A CB -0.354 18.626 19.000 -0.033 0.000 0.846 1137 A HN 0.587 nan 8.150 nan 0.000 0.486 1138 I N -1.577 118.991 120.570 -0.003 0.000 3.443 1138 I HA 0.066 4.236 4.170 -0.001 0.000 0.277 1138 I C 0.855 176.997 176.117 0.041 0.000 1.169 1138 I CA -0.065 61.245 61.300 0.017 0.000 1.419 1138 I CB 0.140 38.147 38.000 0.011 0.000 1.331 1138 I HN 0.285 nan 8.210 nan 0.000 0.458 1139 E N 2.396 122.620 120.200 0.040 0.000 2.614 1139 E HA -0.179 4.171 4.350 -0.001 0.000 0.245 1139 E C -0.033 176.614 176.600 0.078 0.000 1.039 1139 E CA 0.042 56.484 56.400 0.069 0.000 0.948 1139 E CB 0.104 29.854 29.700 0.084 0.000 0.937 1139 E HN 0.135 nan 8.360 nan 0.000 0.498 1140 H N 3.343 122.413 119.070 0.000 0.000 3.034 1140 H HA 0.036 4.592 4.556 -0.001 0.000 0.324 1140 H C -0.975 174.349 175.328 -0.007 0.000 1.015 1140 H CA 0.798 56.841 56.048 -0.008 0.000 1.429 1140 H CB 0.597 30.352 29.762 -0.011 0.000 1.429 1140 H HN 0.328 nan 8.280 nan 0.000 0.585 1141 T N 5.538 119.786 114.554 -0.509 0.000 2.965 1141 T HA 0.278 4.628 4.350 -0.001 0.000 0.306 1141 T C -0.445 174.000 174.700 -0.426 0.000 0.991 1141 T CA -0.637 61.247 62.100 -0.359 0.000 1.001 1141 T CB 0.670 69.437 68.868 -0.168 0.000 0.984 1141 T HN 0.761 nan 8.240 nan 0.000 0.446 1142 T N 0.971 115.328 114.554 -0.328 0.000 2.912 1142 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 1142 T C 1.308 175.942 174.700 -0.110 0.000 0.989 1142 T CA -0.904 61.077 62.100 -0.199 0.000 0.995 1142 T CB 0.907 69.714 68.868 -0.101 0.000 1.077 1142 T HN 0.189 nan 8.240 nan 0.000 0.531 1143 L N 0.623 121.806 121.223 -0.068 0.000 2.131 1143 L HA 0.095 4.435 4.340 -0.001 0.000 0.210 1143 L C 2.522 179.375 176.870 -0.028 0.000 1.092 1143 L CA 1.770 56.584 54.840 -0.043 0.000 0.759 1143 L CB -1.075 40.974 42.059 -0.016 0.000 0.903 1143 L HN 0.890 nan 8.230 nan 0.000 0.435 1144 K N -0.814 119.575 120.400 -0.019 0.000 2.281 1144 K HA -0.151 4.168 4.320 -0.001 0.000 0.203 1144 K C 1.898 178.488 176.600 -0.017 0.000 1.046 1144 K CA 1.402 57.683 56.287 -0.009 0.000 0.938 1144 K CB -0.070 32.430 32.500 -0.000 0.000 0.737 1144 K HN 0.581 nan 8.250 nan 0.000 0.458 1145 S N -0.966 114.715 115.700 -0.032 0.000 2.527 1145 S HA 0.011 4.481 4.470 -0.001 0.000 0.222 1145 S C 1.371 175.954 174.600 -0.028 0.000 0.985 1145 S CA 0.285 58.466 58.200 -0.032 0.000 0.921 1145 S CB 0.781 63.954 63.200 -0.046 0.000 0.772 1145 S HN 0.100 nan 8.310 nan 0.000 0.529 1146 V N 1.138 121.034 119.914 -0.029 0.000 3.432 1146 V HA 0.240 4.360 4.120 -0.001 0.000 0.298 1146 V C 0.242 176.327 176.094 -0.015 0.000 1.464 1146 V CA 0.291 62.575 62.300 -0.026 0.000 1.046 1146 V CB 0.445 32.245 31.823 -0.039 0.000 0.887 1146 V HN 0.431 nan 8.190 nan 0.000 0.441 1147 T N 0.792 115.340 114.554 -0.009 0.000 2.799 1147 T HA 0.465 4.815 4.350 -0.001 0.000 0.286 1147 T C 1.202 175.906 174.700 0.007 0.000 0.973 1147 T CA -0.109 61.992 62.100 0.002 0.000 1.035 1147 T CB 2.007 70.879 68.868 0.007 0.000 0.932 1147 T HN 0.027 nan 8.240 nan 0.000 0.469 1148 I N 1.387 121.965 120.570 0.013 0.000 2.339 1148 I HA 0.298 4.468 4.170 -0.001 0.000 0.245 1148 I C 1.204 177.333 176.117 0.019 0.000 1.096 1148 I CA 0.384 61.693 61.300 0.015 0.000 1.408 1148 I CB 0.024 38.035 38.000 0.019 0.000 1.092 1148 I HN 0.634 nan 8.210 nan 0.000 0.423 1149 A N -0.023 122.813 122.820 0.027 0.000 2.597 1149 A HA 0.622 4.942 4.320 -0.001 0.000 0.292 1149 A C -0.865 176.744 177.584 0.041 0.000 1.057 1149 A CA -0.459 51.596 52.037 0.030 0.000 0.674 1149 A CB 1.069 20.089 19.000 0.032 0.000 1.278 1149 A HN 0.109 nan 8.150 nan 0.000 0.416 1150 S N 0.313 116.035 115.700 0.037 0.000 2.536 1150 S HA 0.897 5.367 4.470 -0.001 0.000 0.298 1150 S C -0.765 173.861 174.600 0.043 0.000 1.083 1150 S CA -0.603 57.626 58.200 0.047 0.000 0.995 1150 S CB 1.815 65.036 63.200 0.034 0.000 1.058 1150 S HN 0.722 nan 8.310 nan 0.000 0.488 1151 E N 0.632 120.876 120.200 0.074 0.000 2.390 1151 E HA 0.512 4.861 4.350 -0.001 0.000 0.277 1151 E C -1.412 175.229 176.600 0.068 0.000 0.939 1151 E CA -0.667 55.748 56.400 0.025 0.000 0.769 1151 E CB 2.248 31.964 29.700 0.026 0.000 1.251 1151 E HN 0.605 nan 8.360 nan 0.000 0.450 1152 I N 2.450 123.005 120.570 -0.025 0.000 2.389 1152 I HA 0.373 4.543 4.170 -0.001 0.000 0.288 1152 I C -1.162 175.000 176.117 0.075 0.000 0.999 1152 I CA -0.591 60.768 61.300 0.097 0.000 1.129 1152 I CB 0.686 38.726 38.000 0.066 0.000 1.288 1152 I HN 0.416 nan 8.210 nan 0.000 0.444 1153 Y N 4.479 124.905 120.300 0.210 0.000 2.587 1153 Y HA 0.359 4.909 4.550 -0.001 0.000 0.337 1153 Y C -0.595 175.450 175.900 0.241 0.000 1.065 1153 Y CA -0.727 57.497 58.100 0.206 0.000 1.126 1153 Y CB 1.561 40.083 38.460 0.103 0.000 1.279 1153 Y HN 0.374 nan 8.280 nan 0.000 0.489 1154 Y N 1.997 122.421 120.300 0.207 0.000 2.454 1154 Y HA 0.386 4.936 4.550 -0.001 0.000 0.345 1154 Y C -0.998 174.849 175.900 -0.088 0.000 0.970 1154 Y CA -0.863 57.117 58.100 -0.201 0.000 1.204 1154 Y CB 0.539 38.801 38.460 -0.330 0.000 1.122 1154 Y HN 0.568 nan 8.280 nan 0.000 0.514 1155 D N 8.877 128.965 120.400 -0.520 0.000 2.405 1155 D HA 0.273 4.913 4.640 -0.001 0.000 0.264 1155 D C -1.928 174.075 176.300 -0.496 0.000 1.240 1155 D CA -1.907 51.880 54.000 -0.355 0.000 0.893 1155 D CB 1.335 42.043 40.800 -0.154 0.000 1.198 1155 D HN 0.315 nan 8.370 nan 0.000 0.514 1156 P HA -0.115 nan 4.420 nan 0.000 0.216 1156 P C 0.236 177.384 177.300 -0.254 0.000 1.153 1156 P CA 0.713 63.498 63.100 -0.524 0.000 0.848 1156 P CB 0.370 31.797 31.700 -0.455 0.000 0.787 1157 D N 1.252 121.547 120.400 -0.176 0.000 2.422 1157 D HA 0.089 4.729 4.640 -0.001 0.000 0.227 1157 D C -1.245 175.005 176.300 -0.083 0.000 1.190 1157 D CA -2.568 51.368 54.000 -0.107 0.000 0.905 1157 D CB 0.396 41.150 40.800 -0.077 0.000 1.034 1157 D HN 0.106 nan 8.370 nan 0.000 0.507 1158 P HA -0.162 nan 4.420 nan 0.000 0.227 1158 P C 0.921 178.240 177.300 0.032 0.000 1.145 1158 P CA 0.795 63.877 63.100 -0.031 0.000 0.769 1158 P CB 0.592 32.248 31.700 -0.073 0.000 0.769 1159 R N 0.235 120.737 120.500 0.004 0.000 2.015 1159 R HA 0.100 4.440 4.340 -0.001 0.000 0.212 1159 R C 1.145 177.433 176.300 -0.020 0.000 1.304 1159 R CA 0.562 56.664 56.100 0.004 0.000 1.040 1159 R CB -0.505 29.765 30.300 -0.051 0.000 0.915 1159 R HN 0.180 nan 8.270 nan 0.000 0.465 1160 S N 0.939 116.612 115.700 -0.044 0.000 2.565 1160 S HA 0.258 4.728 4.470 -0.001 0.000 0.274 1160 S C -0.125 174.447 174.600 -0.045 0.000 1.309 1160 S CA -0.551 57.622 58.200 -0.046 0.000 1.043 1160 S CB 1.861 65.032 63.200 -0.050 0.000 0.939 1160 S HN 0.068 nan 8.310 nan 0.000 0.504 1161 T N 2.080 116.607 114.554 -0.045 0.000 2.918 1161 T HA 0.382 4.732 4.350 -0.001 0.000 0.286 1161 T C 1.169 175.831 174.700 -0.064 0.000 1.026 1161 T CA -0.788 61.275 62.100 -0.061 0.000 1.031 1161 T CB 1.577 70.408 68.868 -0.062 0.000 1.046 1161 T HN 0.473 nan 8.240 nan 0.000 0.479 1162 V N 1.690 121.557 119.914 -0.078 0.000 3.217 1162 V HA 0.140 4.260 4.120 -0.001 0.000 0.264 1162 V C 0.706 176.753 176.094 -0.079 0.000 1.135 1162 V CA 0.965 63.233 62.300 -0.054 0.000 1.142 1162 V CB -0.497 31.313 31.823 -0.022 0.000 0.754 1162 V HN 0.671 nan 8.190 nan 0.000 0.484 1163 I N 2.832 123.322 120.570 -0.134 0.000 2.304 1163 I HA 0.206 4.376 4.170 -0.001 0.000 0.291 1163 I C -0.848 175.218 176.117 -0.085 0.000 1.018 1163 I CA -1.821 59.388 61.300 -0.152 0.000 1.260 1163 I CB 1.632 39.471 38.000 -0.269 0.000 1.390 1163 I HN 0.047 nan 8.210 nan 0.000 0.475 1164 P HA -0.232 nan 4.420 nan 0.000 0.212 1164 P C 0.892 178.174 177.300 -0.030 0.000 1.178 1164 P CA 1.715 64.795 63.100 -0.033 0.000 0.915 1164 P CB 0.087 31.775 31.700 -0.020 0.000 0.788 1165 E N -0.202 119.982 120.200 -0.027 0.000 2.333 1165 E HA -0.182 4.167 4.350 -0.001 0.000 0.200 1165 E C 0.781 177.372 176.600 -0.016 0.000 1.010 1165 E CA 0.984 57.374 56.400 -0.017 0.000 0.841 1165 E CB -0.746 28.948 29.700 -0.010 0.000 0.757 1165 E HN 0.355 nan 8.360 nan 0.000 0.508 1166 D N 0.444 120.826 120.400 -0.029 0.000 2.342 1166 D HA 0.038 4.677 4.640 -0.001 0.000 0.221 1166 D C 1.113 177.410 176.300 -0.005 0.000 1.101 1166 D CA 0.110 54.102 54.000 -0.015 0.000 0.837 1166 D CB 0.243 41.024 40.800 -0.032 0.000 0.938 1166 D HN 0.292 nan 8.370 nan 0.000 0.508 1167 E N 0.760 120.951 120.200 -0.014 0.000 2.046 1167 E HA -0.145 4.205 4.350 -0.001 0.000 0.190 1167 E C 1.646 178.242 176.600 -0.007 0.000 0.982 1167 E CA 0.530 56.922 56.400 -0.013 0.000 0.800 1167 E CB 0.128 29.814 29.700 -0.024 0.000 0.756 1167 E HN 0.280 nan 8.360 nan 0.000 0.449 1168 E N 0.844 121.036 120.200 -0.013 0.000 2.209 1168 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 1168 E C 1.985 178.570 176.600 -0.025 0.000 0.993 1168 E CA 0.590 56.977 56.400 -0.021 0.000 0.819 1168 E CB 0.007 29.694 29.700 -0.022 0.000 0.745 1168 E HN 0.268 nan 8.360 nan 0.000 0.477 1169 I N -0.155 120.416 120.570 0.001 0.000 2.852 1169 I HA -0.088 4.082 4.170 -0.001 0.000 0.264 1169 I C 1.694 177.884 176.117 0.122 0.000 1.179 1169 I CA 0.546 61.857 61.300 0.018 0.000 1.480 1169 I CB 0.189 38.230 38.000 0.070 0.000 1.111 1169 I HN 0.126 nan 8.210 nan 0.000 0.441 1170 I N 0.476 121.125 120.570 0.131 0.000 2.876 1170 I HA -0.153 4.017 4.170 -0.001 0.000 0.264 1170 I C 2.203 178.491 176.117 0.286 0.000 1.204 1170 I CA 0.561 62.002 61.300 0.235 0.000 1.485 1170 I CB -0.146 37.958 38.000 0.173 0.000 1.103 1170 I HN 0.346 nan 8.210 nan 0.000 0.446 1171 Q N 0.938 120.808 119.800 0.116 0.000 1.969 1171 Q HA -0.077 4.263 4.340 -0.001 0.000 0.198 1171 Q C 2.145 178.223 176.000 0.130 0.000 0.978 1171 Q CA 1.127 56.966 55.803 0.060 0.000 0.830 1171 Q CB -0.196 28.529 28.738 -0.022 0.000 0.896 1171 Q HN 0.411 nan 8.270 nan 0.000 0.431 1172 L N 1.146 122.362 121.223 -0.012 0.000 2.671 1172 L HA -0.168 4.172 4.340 -0.001 0.000 0.236 1172 L C 0.723 177.454 176.870 -0.231 0.000 1.178 1172 L CA 0.487 55.248 54.840 -0.133 0.000 0.829 1172 L CB -0.428 41.487 42.059 -0.240 0.000 0.956 1172 L HN 0.306 nan 8.230 nan 0.000 0.455 1173 H N -1.264 117.879 119.070 0.121 0.000 2.476 1173 H HA 0.238 4.793 4.556 -0.001 0.000 0.256 1173 H C -0.447 174.805 175.328 -0.128 0.000 1.321 1173 H CA -0.142 55.887 56.048 -0.031 0.000 1.056 1173 H CB 0.168 29.849 29.762 -0.135 0.000 1.643 1173 H HN 0.140 nan 8.280 nan 0.000 0.541 1174 F N -0.080 119.890 119.950 0.032 0.000 2.779 1174 F HA 0.076 4.603 4.527 -0.001 0.000 0.345 1174 F C 0.757 176.557 175.800 -0.001 0.000 1.270 1174 F CA -0.405 57.606 58.000 0.019 0.000 1.074 1174 F CB 0.471 39.476 39.000 0.009 0.000 1.268 1174 F HN 0.053 nan 8.300 nan 0.000 0.508 1175 S N -0.833 114.927 115.700 0.101 0.000 2.795 1175 S HA 0.792 5.262 4.470 -0.001 0.000 0.308 1175 S C -0.695 173.920 174.600 0.025 0.000 1.098 1175 S CA -0.736 57.499 58.200 0.057 0.000 0.934 1175 S CB 1.943 65.163 63.200 0.032 0.000 1.300 1175 S HN 0.155 nan 8.310 nan 0.000 0.566 1188 Q N 2.314 122.049 119.800 -0.107 0.000 2.313 1188 Q HA 0.401 4.741 4.340 -0.001 0.000 0.266 1188 Q C -0.456 175.518 176.000 -0.043 0.000 0.989 1188 Q CA 0.163 55.905 55.803 -0.100 0.000 0.890 1188 Q CB 1.303 29.902 28.738 -0.232 0.000 1.200 1188 Q HN 0.451 nan 8.270 nan 0.000 0.396 1189 S N 2.325 118.038 115.700 0.022 0.000 2.617 1189 S HA 0.265 4.734 4.470 -0.001 0.000 0.269 1189 S C -1.663 172.917 174.600 -0.034 0.000 1.292 1189 S CA -1.232 57.005 58.200 0.061 0.000 1.010 1189 S CB 0.852 64.174 63.200 0.204 0.000 0.944 1189 S HN 0.505 nan 8.310 nan 0.000 0.536 1190 P HA 0.070 nan 4.420 nan 0.000 0.242 1190 P C -0.627 176.306 177.300 -0.613 0.000 1.197 1190 P CA 0.277 63.080 63.100 -0.496 0.000 0.765 1190 P CB -0.091 31.198 31.700 -0.685 0.000 0.936 1191 W N 0.897 122.165 121.300 -0.052 0.000 2.316 1191 W HA 0.439 5.099 4.660 -0.001 0.000 0.311 1191 W C 0.138 176.673 176.519 0.026 0.000 1.217 1191 W CA -0.786 56.568 57.345 0.015 0.000 1.199 1191 W CB 0.647 30.145 29.460 0.063 0.000 1.202 1191 W HN -0.181 nan 8.180 nan 0.000 0.528 1192 L N 5.565 126.963 121.223 0.291 0.000 2.325 1192 L HA 0.540 4.880 4.340 -0.001 0.000 0.281 1192 L C -1.211 175.802 176.870 0.239 0.000 1.004 1192 L CA -0.963 54.007 54.840 0.215 0.000 0.823 1192 L CB 0.867 43.018 42.059 0.152 0.000 1.236 1192 L HN 0.344 nan 8.230 nan 0.000 0.415 1193 L N 5.804 127.126 121.223 0.165 0.000 2.275 1193 L HA 0.587 4.927 4.340 -0.001 0.000 0.288 1193 L C -0.584 176.364 176.870 0.129 0.000 1.046 1193 L CA 0.090 55.008 54.840 0.129 0.000 0.805 1193 L CB 0.853 42.949 42.059 0.062 0.000 1.193 1193 L HN 0.788 nan 8.230 nan 0.000 0.426 1194 R N 5.930 126.525 120.500 0.158 0.000 2.476 1194 R HA 0.614 4.954 4.340 -0.001 0.000 0.305 1194 R C -1.858 174.513 176.300 0.118 0.000 0.965 1194 R CA -0.622 55.564 56.100 0.144 0.000 0.867 1194 R CB 0.964 31.383 30.300 0.199 0.000 1.176 1194 R HN 0.750 nan 8.270 nan 0.000 0.447 1195 L N 2.946 124.221 121.223 0.086 0.000 2.317 1195 L HA 0.496 4.836 4.340 -0.001 0.000 0.281 1195 L C -0.094 176.813 176.870 0.063 0.000 1.024 1195 L CA -0.728 54.153 54.840 0.068 0.000 0.810 1195 L CB 1.920 44.009 42.059 0.050 0.000 1.240 1195 L HN 0.595 nan 8.230 nan 0.000 0.427 1196 E N 3.667 123.900 120.200 0.056 0.000 2.092 1196 E HA 0.445 4.794 4.350 -0.001 0.000 0.271 1196 E C -1.191 175.428 176.600 0.032 0.000 0.919 1196 E CA -0.517 55.912 56.400 0.048 0.000 0.760 1196 E CB 1.234 30.965 29.700 0.051 0.000 1.106 1196 E HN 0.489 nan 8.360 nan 0.000 0.408 1197 L N 2.930 124.168 121.223 0.025 0.000 2.399 1197 L HA 0.343 4.682 4.340 -0.001 0.000 0.265 1197 L C 0.374 177.250 176.870 0.009 0.000 1.089 1197 L CA -0.633 54.214 54.840 0.010 0.000 0.802 1197 L CB 1.054 43.111 42.059 -0.002 0.000 1.180 1197 L HN 0.539 nan 8.230 nan 0.000 0.454 1198 D N 1.549 121.949 120.400 0.001 0.000 2.280 1198 D HA 0.154 4.793 4.640 -0.001 0.000 0.236 1198 D C 0.782 177.080 176.300 -0.004 0.000 1.082 1198 D CA -0.439 53.561 54.000 0.001 0.000 0.834 1198 D CB 1.487 42.287 40.800 0.000 0.000 1.100 1198 D HN 0.446 nan 8.370 nan 0.000 0.486 1199 R N 2.538 123.037 120.500 -0.001 0.000 2.094 1199 R HA -0.203 4.137 4.340 -0.001 0.000 0.239 1199 R C 2.032 178.327 176.300 -0.008 0.000 1.137 1199 R CA 1.856 57.954 56.100 -0.004 0.000 0.943 1199 R CB -0.272 30.028 30.300 -0.001 0.000 0.850 1199 R HN 0.622 nan 8.270 nan 0.000 0.433 1200 A N 1.092 123.909 122.820 -0.005 0.000 1.863 1200 A HA -0.283 4.037 4.320 -0.001 0.000 0.218 1200 A C 2.368 179.948 177.584 -0.007 0.000 1.233 1200 A CA 2.423 54.457 52.037 -0.005 0.000 0.655 1200 A CB -1.170 17.829 19.000 -0.002 0.000 0.839 1200 A HN 0.496 nan 8.150 nan 0.000 0.454 1201 A N -1.790 121.027 122.820 -0.006 0.000 1.978 1201 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 1201 A C 2.205 179.778 177.584 -0.018 0.000 1.170 1201 A CA 2.136 54.169 52.037 -0.008 0.000 0.636 1201 A CB -0.502 18.492 19.000 -0.011 0.000 0.810 1201 A HN 0.496 nan 8.150 nan 0.000 0.448 1202 M N 0.917 120.504 119.600 -0.021 0.000 2.139 1202 M HA -0.176 4.303 4.480 -0.001 0.000 0.260 1202 M C 1.958 178.238 176.300 -0.033 0.000 1.078 1202 M CA 2.250 57.531 55.300 -0.031 0.000 1.106 1202 M CB -1.828 30.756 32.600 -0.027 0.000 1.275 1202 M HN 0.724 nan 8.290 nan 0.000 0.425 1203 N N 0.251 118.935 118.700 -0.027 0.000 2.289 1203 N HA -0.188 4.552 4.740 -0.001 0.000 0.184 1203 N C 1.268 176.756 175.510 -0.036 0.000 1.016 1203 N CA 1.562 54.593 53.050 -0.031 0.000 0.872 1203 N CB -0.899 37.573 38.487 -0.025 0.000 0.973 1203 N HN 0.431 nan 8.380 nan 0.000 0.433 1204 D N 1.119 121.501 120.400 -0.029 0.000 2.084 1204 D HA -0.157 4.483 4.640 -0.001 0.000 0.194 1204 D C 0.477 176.750 176.300 -0.045 0.000 0.990 1204 D CA 1.085 55.066 54.000 -0.032 0.000 0.826 1204 D CB -0.045 40.751 40.800 -0.006 0.000 0.971 1204 D HN 0.370 nan 8.370 nan 0.000 0.453 1205 K N 1.090 121.469 120.400 -0.035 0.000 2.627 1205 K HA 0.030 4.350 4.320 -0.001 0.000 0.212 1205 K C -0.387 176.179 176.600 -0.057 0.000 1.041 1205 K CA -0.146 56.115 56.287 -0.043 0.000 1.205 1205 K CB 0.210 32.691 32.500 -0.033 0.000 0.936 1205 K HN 0.094 nan 8.250 nan 0.000 0.489 1206 D N 1.634 121.999 120.400 -0.058 0.000 2.886 1206 D HA -0.211 4.429 4.640 -0.001 0.000 0.221 1206 D C -0.764 175.500 176.300 -0.060 0.000 1.227 1206 D CA 1.101 55.066 54.000 -0.059 0.000 0.746 1206 D CB -0.615 40.147 40.800 -0.065 0.000 0.935 1206 D HN 0.306 nan 8.370 nan 0.000 0.399 1207 L N 0.626 121.813 121.223 -0.060 0.000 2.408 1207 L HA 0.345 4.685 4.340 -0.001 0.000 0.268 1207 L C 0.532 177.358 176.870 -0.073 0.000 0.986 1207 L CA -0.533 54.264 54.840 -0.073 0.000 0.820 1207 L CB 2.323 44.334 42.059 -0.080 0.000 1.303 1207 L HN -0.119 nan 8.230 nan 0.000 0.411 1208 T N 2.509 117.009 114.554 -0.089 0.000 2.902 1208 T HA 0.254 4.604 4.350 -0.001 0.000 0.283 1208 T C 1.164 175.774 174.700 -0.150 0.000 1.009 1208 T CA -0.676 61.372 62.100 -0.087 0.000 1.051 1208 T CB 1.618 70.445 68.868 -0.067 0.000 0.999 1208 T HN 0.434 nan 8.240 nan 0.000 0.474 1209 M N 1.938 121.462 119.600 -0.127 0.000 2.108 1209 M HA -0.046 4.434 4.480 -0.001 0.000 0.261 1209 M C 2.545 178.490 176.300 -0.591 0.000 1.066 1209 M CA 1.689 56.844 55.300 -0.242 0.000 1.107 1209 M CB -1.714 30.874 32.600 -0.020 0.000 1.356 1209 M HN 0.866 nan 8.290 nan 0.000 0.406 1210 G N -0.500 108.108 108.800 -0.320 0.000 2.422 1210 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 1210 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 1210 G C 1.509 176.153 174.900 -0.427 0.000 1.146 1210 G CA 0.567 45.466 45.100 -0.336 0.000 0.769 1210 G HN 0.543 nan 8.290 nan 0.000 0.547 1211 Q N -0.159 119.476 119.800 -0.276 0.000 1.993 1211 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 1211 Q C 2.875 178.699 176.000 -0.293 0.000 0.984 1211 Q CA 1.540 57.211 55.803 -0.220 0.000 0.837 1211 Q CB -0.481 28.169 28.738 -0.147 0.000 0.902 1211 Q HN 0.340 nan 8.270 nan 0.000 0.423 1212 V N 0.952 120.673 119.914 -0.321 0.000 2.231 1212 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 1212 V C 2.283 178.133 176.094 -0.407 0.000 1.054 1212 V CA 2.200 64.318 62.300 -0.303 0.000 1.015 1212 V CB -1.392 30.272 31.823 -0.264 0.000 0.638 1212 V HN 0.611 nan 8.190 nan 0.000 0.444 1213 G N -1.157 107.178 108.800 -0.775 0.000 2.421 1213 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 1213 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 1213 G C 1.460 175.972 174.900 -0.647 0.000 1.171 1213 G CA 0.827 45.321 45.100 -1.011 0.000 0.775 1213 G HN 0.562 nan 8.290 nan 0.000 0.543 1214 E N -0.452 119.372 120.200 -0.627 0.000 2.478 1214 E HA -0.016 4.334 4.350 -0.001 0.000 0.198 1214 E C 2.432 178.967 176.600 -0.107 0.000 1.046 1214 E CA 0.080 56.379 56.400 -0.168 0.000 0.870 1214 E CB 0.154 29.821 29.700 -0.055 0.000 0.818 1214 E HN 0.243 nan 8.360 nan 0.000 0.527 1215 R N 0.496 120.900 120.500 -0.159 0.000 2.090 1215 R HA 0.065 4.404 4.340 -0.001 0.000 0.219 1215 R C 1.774 178.030 176.300 -0.073 0.000 1.100 1215 R CA 0.894 56.931 56.100 -0.106 0.000 0.991 1215 R CB -0.238 29.989 30.300 -0.121 0.000 0.893 1215 R HN 0.099 nan 8.270 nan 0.000 0.443 1216 I N 0.775 121.310 120.570 -0.059 0.000 2.179 1216 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 1216 I C 2.400 178.586 176.117 0.115 0.000 1.088 1216 I CA 1.483 62.810 61.300 0.045 0.000 1.357 1216 I CB -0.357 37.696 38.000 0.089 0.000 1.051 1216 I HN 0.217 nan 8.210 nan 0.000 0.409 1217 K N 1.223 121.681 120.400 0.097 0.000 2.020 1217 K HA -0.260 4.060 4.320 -0.001 0.000 0.212 1217 K C 1.898 178.551 176.600 0.089 0.000 1.050 1217 K CA 1.988 58.355 56.287 0.132 0.000 0.929 1217 K CB -0.166 32.421 32.500 0.145 0.000 0.714 1217 K HN 0.471 nan 8.250 nan 0.000 0.443 1218 Q N -0.539 119.280 119.800 0.032 0.000 2.452 1218 Q HA -0.012 4.328 4.340 -0.001 0.000 0.214 1218 Q C 0.300 176.275 176.000 -0.042 0.000 0.966 1218 Q CA 0.875 56.679 55.803 0.003 0.000 0.964 1218 Q CB 0.467 29.198 28.738 -0.012 0.000 0.992 1218 Q HN 0.117 nan 8.270 nan 0.000 0.517 1219 T N -0.780 113.730 114.554 -0.073 0.000 3.058 1219 T HA 0.178 4.528 4.350 -0.001 0.000 0.247 1219 T C 0.080 174.593 174.700 -0.312 0.000 0.987 1219 T CA -0.123 61.829 62.100 -0.246 0.000 1.062 1219 T CB 0.103 68.713 68.868 -0.430 0.000 1.048 1219 T HN 0.298 nan 8.240 nan 0.000 0.468 1220 F N 3.118 123.080 119.950 0.019 0.000 2.974 1220 F HA 0.396 4.923 4.527 -0.001 0.000 0.292 1220 F C 0.856 176.676 175.800 0.033 0.000 1.209 1220 F CA -0.791 57.226 58.000 0.028 0.000 1.366 1220 F CB -0.601 38.419 39.000 0.034 0.000 1.033 1220 F HN -0.004 nan 8.300 nan 0.000 0.516 1221 K N -0.356 120.124 120.400 0.134 0.000 2.326 1221 K HA -0.329 3.991 4.320 -0.001 0.000 0.145 1221 K C 0.414 177.087 176.600 0.122 0.000 1.453 1221 K CA 1.436 57.785 56.287 0.103 0.000 0.694 1221 K CB -0.673 31.882 32.500 0.091 0.000 0.547 1221 K HN 0.246 nan 8.250 nan 0.000 0.982 1222 N N 1.345 120.104 118.700 0.099 0.000 2.336 1222 N HA -0.015 4.725 4.740 -0.001 0.000 0.189 1222 N C -0.214 175.360 175.510 0.106 0.000 1.113 1222 N CA 0.461 53.569 53.050 0.096 0.000 0.858 1222 N CB 0.057 38.586 38.487 0.069 0.000 0.970 1222 N HN 0.306 nan 8.380 nan 0.000 0.471 1223 D N 0.922 121.395 120.400 0.122 0.000 2.355 1223 D HA 0.055 4.695 4.640 -0.001 0.000 0.253 1223 D C -0.060 176.303 176.300 0.107 0.000 1.187 1223 D CA 0.399 54.468 54.000 0.114 0.000 0.900 1223 D CB 0.028 40.908 40.800 0.133 0.000 0.915 1223 D HN 0.135 nan 8.370 nan 0.000 0.516 1224 L N 0.043 121.343 121.223 0.127 0.000 2.666 1224 L HA 0.297 4.636 4.340 -0.001 0.000 0.259 1224 L C -1.950 175.024 176.870 0.174 0.000 0.919 1224 L CA -0.884 54.019 54.840 0.105 0.000 0.927 1224 L CB 1.711 43.787 42.059 0.028 0.000 1.423 1224 L HN -0.234 nan 8.230 nan 0.000 0.426 1225 F N 5.744 125.698 119.950 0.006 0.000 2.404 1225 F HA 0.747 5.273 4.527 -0.001 0.000 0.358 1225 F C -0.795 175.012 175.800 0.012 0.000 1.120 1225 F CA -0.435 57.564 58.000 -0.001 0.000 1.144 1225 F CB 0.959 39.947 39.000 -0.021 0.000 1.133 1225 F HN 0.190 nan 8.300 nan 0.000 0.495 1226 V N 7.833 127.442 119.914 -0.508 0.000 2.656 1226 V HA 0.558 4.678 4.120 -0.001 0.000 0.307 1226 V C -0.166 175.563 176.094 -0.609 0.000 1.051 1226 V CA -0.859 61.219 62.300 -0.369 0.000 0.893 1226 V CB 1.779 33.617 31.823 0.025 0.000 0.999 1226 V HN 0.687 nan 8.190 nan 0.000 0.426 1227 I N 3.358 123.641 120.570 -0.479 0.000 2.994 1227 I HA 0.713 4.883 4.170 -0.001 0.000 0.306 1227 I C -1.564 174.451 176.117 -0.170 0.000 1.195 1227 I CA -0.539 60.364 61.300 -0.662 0.000 1.001 1227 I CB 2.824 40.414 38.000 -0.683 0.000 1.244 1227 I HN 0.931 nan 8.210 nan 0.000 0.437 1228 W N 2.567 123.755 121.300 -0.187 0.000 3.248 1228 W HA 0.651 5.310 4.660 -0.001 0.000 0.311 1228 W C -0.900 175.684 176.519 0.108 0.000 1.258 1228 W CA -1.025 56.300 57.345 -0.034 0.000 1.191 1228 W CB 0.150 29.585 29.460 -0.042 0.000 1.389 1228 W HN 0.510 nan 8.180 nan 0.000 0.561 1229 S N 0.522 116.416 115.700 0.324 0.000 2.600 1229 S HA 0.377 4.847 4.470 -0.001 0.000 0.265 1229 S C -0.064 174.723 174.600 0.313 0.000 1.325 1229 S CA -0.462 57.876 58.200 0.231 0.000 1.002 1229 S CB 1.093 64.379 63.200 0.142 0.000 0.921 1229 S HN 0.615 nan 8.310 nan 0.000 0.554 1230 E N 0.204 120.514 120.200 0.184 0.000 2.314 1230 E HA 0.144 4.493 4.350 -0.001 0.000 0.262 1230 E C 0.318 176.993 176.600 0.125 0.000 1.093 1230 E CA -0.631 55.878 56.400 0.182 0.000 0.908 1230 E CB 0.450 30.204 29.700 0.091 0.000 1.091 1230 E HN 0.661 nan 8.360 nan 0.000 0.425 1231 D N 0.913 121.376 120.400 0.105 0.000 2.311 1231 D HA -0.151 4.489 4.640 -0.001 0.000 0.212 1231 D C 0.923 177.247 176.300 0.040 0.000 0.972 1231 D CA 0.794 54.830 54.000 0.060 0.000 0.887 1231 D CB 0.136 40.963 40.800 0.044 0.000 0.915 1231 D HN 0.297 nan 8.370 nan 0.000 0.497 1232 N N 0.837 119.560 118.700 0.038 0.000 2.290 1232 N HA -0.063 4.677 4.740 -0.001 0.000 0.179 1232 N C 0.095 175.617 175.510 0.020 0.000 1.016 1232 N CA 0.429 53.492 53.050 0.022 0.000 0.871 1232 N CB 0.236 38.731 38.487 0.015 0.000 0.987 1232 N HN 0.165 nan 8.380 nan 0.000 0.431 1233 D N 1.254 121.669 120.400 0.026 0.000 2.478 1233 D HA -0.081 4.559 4.640 -0.001 0.000 0.234 1233 D C 1.301 177.615 176.300 0.022 0.000 1.154 1233 D CA 0.255 54.268 54.000 0.022 0.000 0.874 1233 D CB 0.513 41.330 40.800 0.030 0.000 1.198 1233 D HN 0.418 nan 8.370 nan 0.000 0.455 1234 E N 0.640 120.850 120.200 0.017 0.000 2.338 1234 E HA -0.106 4.243 4.350 -0.001 0.000 0.197 1234 E C -0.113 176.498 176.600 0.020 0.000 1.007 1234 E CA 0.782 57.192 56.400 0.016 0.000 0.849 1234 E CB 0.103 29.810 29.700 0.011 0.000 0.774 1234 E HN 0.276 nan 8.360 nan 0.000 0.506 1235 K N 1.269 121.684 120.400 0.025 0.000 2.426 1235 K HA 0.388 4.708 4.320 -0.001 0.000 0.254 1235 K C -0.981 175.644 176.600 0.042 0.000 0.936 1235 K CA -0.526 55.779 56.287 0.030 0.000 0.801 1235 K CB 2.155 34.672 32.500 0.028 0.000 1.139 1235 K HN -0.005 nan 8.250 nan 0.000 0.424 1236 L N 5.454 126.702 121.223 0.041 0.000 2.283 1236 L HA 0.443 4.782 4.340 -0.001 0.000 0.287 1236 L C -0.299 176.607 176.870 0.060 0.000 1.073 1236 L CA -0.238 54.633 54.840 0.052 0.000 0.822 1236 L CB -0.093 41.985 42.059 0.032 0.000 1.186 1236 L HN 0.452 nan 8.230 nan 0.000 0.436 1237 I N 4.283 124.906 120.570 0.088 0.000 2.686 1237 I HA 0.481 4.651 4.170 -0.001 0.000 0.295 1237 I C -0.553 175.641 176.117 0.127 0.000 1.114 1237 I CA -0.459 60.894 61.300 0.089 0.000 1.038 1237 I CB 2.831 40.874 38.000 0.071 0.000 1.238 1237 I HN 0.418 nan 8.210 nan 0.000 0.420 1238 I N 4.956 125.591 120.570 0.107 0.000 2.465 1238 I HA 0.516 4.686 4.170 -0.001 0.000 0.291 1238 I C -0.583 175.584 176.117 0.084 0.000 1.014 1238 I CA -0.682 60.694 61.300 0.127 0.000 1.093 1238 I CB 1.805 39.867 38.000 0.103 0.000 1.267 1238 I HN 0.424 nan 8.210 nan 0.000 0.431 1239 R N 4.646 125.180 120.500 0.056 0.000 2.514 1239 R HA 0.798 5.138 4.340 -0.001 0.000 0.301 1239 R C -1.440 174.861 176.300 0.002 0.000 0.962 1239 R CA -0.553 55.566 56.100 0.033 0.000 0.882 1239 R CB 1.944 32.255 30.300 0.019 0.000 1.143 1239 R HN 0.625 nan 8.270 nan 0.000 0.452 1240 C N 1.653 120.979 119.300 0.042 0.000 2.783 1240 C HA 0.587 5.046 4.460 -0.001 0.000 0.312 1240 C C -0.427 174.625 174.990 0.104 0.000 1.182 1240 C CA -1.148 57.893 59.018 0.038 0.000 1.432 1240 C CB 1.807 29.546 27.740 -0.002 0.000 1.933 1240 C HN 0.823 nan 8.230 nan 0.000 0.473 1241 R N 1.249 121.848 120.500 0.165 0.000 2.686 1241 R HA 0.685 5.024 4.340 -0.001 0.000 0.283 1241 R C -1.011 175.367 176.300 0.130 0.000 0.978 1241 R CA -0.621 55.582 56.100 0.172 0.000 0.897 1241 R CB 2.034 32.461 30.300 0.213 0.000 1.192 1241 R HN 0.568 nan 8.270 nan 0.000 0.457 1242 V N 2.665 122.636 119.914 0.096 0.000 2.843 1242 V HA 0.175 4.295 4.120 -0.001 0.000 0.305 1242 V C 0.374 176.510 176.094 0.071 0.000 1.065 1242 V CA 0.091 62.428 62.300 0.061 0.000 1.116 1242 V CB 1.294 33.154 31.823 0.063 0.000 0.968 1242 V HN 0.539 nan 8.190 nan 0.000 0.487 1255 E N -0.107 120.109 120.200 0.027 0.000 3.181 1255 E HA -0.236 4.114 4.350 -0.001 0.000 0.293 1255 E C 0.822 177.406 176.600 -0.026 0.000 0.936 1255 E CA 0.865 57.266 56.400 0.001 0.000 0.975 1255 E CB -0.769 28.929 29.700 -0.003 0.000 1.496 1255 E HN 0.756 nan 8.360 nan 0.000 0.429 1256 E N 0.694 120.855 120.200 -0.066 0.000 2.000 1256 E HA -0.203 4.147 4.350 -0.001 0.000 0.199 1256 E C 1.390 177.822 176.600 -0.279 0.000 1.011 1256 E CA 1.578 57.901 56.400 -0.129 0.000 0.836 1256 E CB -0.364 29.279 29.700 -0.096 0.000 0.778 1256 E HN 0.434 nan 8.360 nan 0.000 0.462 1257 D N 0.152 120.179 120.400 -0.622 0.000 2.286 1257 D HA -0.245 4.395 4.640 -0.001 0.000 0.195 1257 D C 1.857 177.973 176.300 -0.307 0.000 1.012 1257 D CA 1.384 55.015 54.000 -0.615 0.000 0.901 1257 D CB -0.383 39.992 40.800 -0.708 0.000 0.903 1257 D HN 0.300 nan 8.370 nan 0.000 0.451 1258 H N 0.207 119.145 119.070 -0.220 0.000 2.294 1258 H HA 0.127 4.682 4.556 -0.001 0.000 0.306 1258 H C 2.439 177.709 175.328 -0.097 0.000 1.065 1258 H CA 0.673 56.642 56.048 -0.132 0.000 1.343 1258 H CB -0.127 29.576 29.762 -0.099 0.000 1.396 1258 H HN 0.108 nan 8.280 nan 0.000 0.506 1259 M N -0.115 119.532 119.600 0.078 0.000 2.108 1259 M HA -0.216 4.264 4.480 -0.001 0.000 0.257 1259 M C 2.436 178.733 176.300 -0.005 0.000 1.071 1259 M CA 1.198 56.518 55.300 0.034 0.000 1.093 1259 M CB -0.319 32.286 32.600 0.008 0.000 1.345 1259 M HN 0.123 nan 8.290 nan 0.000 0.403 1260 L N 0.653 121.850 121.223 -0.044 0.000 2.012 1260 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 1260 L C 2.206 179.045 176.870 -0.052 0.000 1.073 1260 L CA 1.959 56.764 54.840 -0.058 0.000 0.748 1260 L CB -0.557 41.464 42.059 -0.063 0.000 0.891 1260 L HN 0.189 nan 8.230 nan 0.000 0.431 1261 K N -0.875 119.483 120.400 -0.070 0.000 2.360 1261 K HA -0.171 4.149 4.320 -0.001 0.000 0.201 1261 K C 1.897 178.488 176.600 -0.015 0.000 1.046 1261 K CA 1.058 57.307 56.287 -0.063 0.000 0.945 1261 K CB -0.018 32.407 32.500 -0.125 0.000 0.750 1261 K HN 0.400 nan 8.250 nan 0.000 0.464 1262 K N 0.509 120.917 120.400 0.013 0.000 2.067 1262 K HA 0.051 4.370 4.320 -0.001 0.000 0.203 1262 K C 2.018 178.646 176.600 0.047 0.000 1.048 1262 K CA 0.764 57.078 56.287 0.044 0.000 0.954 1262 K CB 0.020 32.560 32.500 0.067 0.000 0.737 1262 K HN 0.026 nan 8.250 nan 0.000 0.444 1263 I N 1.988 122.562 120.570 0.006 0.000 2.286 1263 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 1263 I C 2.613 178.734 176.117 0.005 0.000 1.115 1263 I CA 1.404 62.681 61.300 -0.039 0.000 1.392 1263 I CB -0.356 37.498 38.000 -0.244 0.000 1.065 1263 I HN 0.284 nan 8.210 nan 0.000 0.418 1264 E N 1.614 121.811 120.200 -0.005 0.000 2.085 1264 E HA -0.291 4.059 4.350 -0.001 0.000 0.194 1264 E C 2.023 178.652 176.600 0.048 0.000 0.994 1264 E CA 1.735 58.145 56.400 0.016 0.000 0.801 1264 E CB -0.317 29.384 29.700 0.001 0.000 0.743 1264 E HN 0.370 nan 8.360 nan 0.000 0.453 1265 N N -0.201 118.529 118.700 0.050 0.000 2.106 1265 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 1265 N C 1.618 177.180 175.510 0.086 0.000 1.029 1265 N CA 2.062 55.147 53.050 0.057 0.000 0.848 1265 N CB -0.416 38.099 38.487 0.047 0.000 1.007 1265 N HN 0.282 nan 8.380 nan 0.000 0.423 1266 T N 1.864 116.497 114.554 0.132 0.000 2.699 1266 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 1266 T C 2.109 176.911 174.700 0.169 0.000 1.036 1266 T CA 1.410 63.610 62.100 0.167 0.000 1.147 1266 T CB -0.127 68.918 68.868 0.294 0.000 0.862 1266 T HN 0.279 nan 8.240 nan 0.000 0.446 1267 M N 0.412 120.149 119.600 0.229 0.000 2.067 1267 M HA -0.028 4.452 4.480 -0.001 0.000 0.260 1267 M C 2.354 178.707 176.300 0.087 0.000 1.069 1267 M CA 1.671 57.083 55.300 0.187 0.000 1.117 1267 M CB -0.715 31.997 32.600 0.186 0.000 1.334 1267 M HN 0.203 nan 8.290 nan 0.000 0.407 1268 L N -0.584 120.680 121.223 0.067 0.000 2.131 1268 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 1268 L C 2.096 178.984 176.870 0.030 0.000 1.092 1268 L CA 1.295 56.157 54.840 0.038 0.000 0.759 1268 L CB -0.407 41.670 42.059 0.031 0.000 0.903 1268 L HN 0.392 nan 8.230 nan 0.000 0.435 1269 E N -1.131 119.093 120.200 0.041 0.000 2.256 1269 E HA -0.012 4.338 4.350 -0.001 0.000 0.198 1269 E C 1.691 178.319 176.600 0.046 0.000 0.908 1269 E CA 0.091 56.515 56.400 0.040 0.000 0.915 1269 E CB 0.233 29.956 29.700 0.039 0.000 0.890 1269 E HN 0.378 nan 8.360 nan 0.000 0.484 1270 N N 0.868 119.591 118.700 0.039 0.000 2.290 1270 N HA 0.040 4.779 4.740 -0.001 0.000 0.179 1270 N C 0.678 176.191 175.510 0.005 0.000 1.016 1270 N CA 0.528 53.593 53.050 0.024 0.000 0.871 1270 N CB 0.242 38.733 38.487 0.006 0.000 0.987 1270 N HN 0.087 nan 8.380 nan 0.000 0.431 1271 I N 1.641 122.201 120.570 -0.017 0.000 2.556 1271 I HA -0.013 4.157 4.170 -0.001 0.000 0.284 1271 I C -0.030 176.064 176.117 -0.039 0.000 1.114 1271 I CA 0.341 61.611 61.300 -0.049 0.000 1.418 1271 I CB 0.454 38.418 38.000 -0.061 0.000 1.394 1271 I HN -0.130 nan 8.210 nan 0.000 0.552 1272 T N 7.581 122.114 114.554 -0.034 0.000 2.733 1272 T HA 0.343 4.693 4.350 -0.001 0.000 0.294 1272 T C 1.233 175.882 174.700 -0.085 0.000 0.956 1272 T CA -0.486 61.585 62.100 -0.049 0.000 0.987 1272 T CB 1.138 70.046 68.868 0.065 0.000 0.920 1272 T HN 0.418 nan 8.240 nan 0.000 0.470 1273 L N 2.171 123.317 121.223 -0.129 0.000 2.249 1273 L HA 0.349 4.688 4.340 -0.001 0.000 0.207 1273 L C 1.295 178.105 176.870 -0.100 0.000 1.090 1273 L CA 0.640 55.412 54.840 -0.114 0.000 0.802 1273 L CB 0.082 42.068 42.059 -0.122 0.000 0.947 1273 L HN 0.451 nan 8.230 nan 0.000 0.453 1274 R N -1.143 119.291 120.500 -0.110 0.000 2.725 1274 R HA 0.474 4.814 4.340 -0.001 0.000 0.254 1274 R C -1.098 175.170 176.300 -0.053 0.000 1.076 1274 R CA 0.178 56.235 56.100 -0.072 0.000 0.940 1274 R CB 1.747 32.004 30.300 -0.072 0.000 1.260 1274 R HN 0.128 nan 8.270 nan 0.000 0.466 1275 G N 0.727 109.529 108.800 0.003 0.000 2.434 1275 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.671 1275 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.671 1275 G C -1.749 173.226 174.900 0.125 0.000 1.280 1275 G CA -0.513 44.623 45.100 0.061 0.000 0.975 1275 G HN 0.470 nan 8.290 nan 0.000 0.510 1276 V N 0.523 120.514 119.914 0.129 0.000 2.581 1276 V HA 0.575 4.694 4.120 -0.001 0.000 0.303 1276 V C 0.154 176.246 176.094 -0.003 0.000 1.041 1276 V CA -0.740 61.601 62.300 0.069 0.000 0.907 1276 V CB 1.661 33.498 31.823 0.022 0.000 0.994 1276 V HN 0.783 nan 8.190 nan 0.000 0.442 1277 E N 4.258 124.388 120.200 -0.117 0.000 2.415 1277 E HA 0.197 4.546 4.350 -0.001 0.000 0.263 1277 E C 0.651 177.105 176.600 -0.243 0.000 0.995 1277 E CA 0.483 56.676 56.400 -0.344 0.000 0.915 1277 E CB -0.122 29.446 29.700 -0.220 0.000 0.951 1277 E HN 0.686 nan 8.360 nan 0.000 0.449 1278 N N 0.434 118.954 118.700 -0.300 0.000 2.915 1278 N HA -0.207 4.533 4.740 -0.001 0.000 0.192 1278 N C -0.330 175.132 175.510 -0.081 0.000 1.128 1278 N CA 0.614 53.573 53.050 -0.151 0.000 1.079 1278 N CB -1.151 37.275 38.487 -0.103 0.000 0.964 1278 N HN 0.345 nan 8.380 nan 0.000 0.561 1279 I N 2.941 123.480 120.570 -0.052 0.000 2.406 1279 I HA 0.062 4.232 4.170 -0.001 0.000 0.293 1279 I C 1.493 177.641 176.117 0.051 0.000 1.101 1279 I CA 0.713 62.017 61.300 0.006 0.000 1.334 1279 I CB 0.545 38.559 38.000 0.023 0.000 1.421 1279 I HN 0.132 nan 8.210 nan 0.000 0.513 1280 E N 4.870 125.091 120.200 0.036 0.000 2.115 1280 E HA 0.280 4.630 4.350 -0.001 0.000 0.213 1280 E C 0.474 177.097 176.600 0.037 0.000 0.936 1280 E CA -0.248 56.182 56.400 0.050 0.000 0.947 1280 E CB 0.220 29.936 29.700 0.028 0.000 1.169 1280 E HN 0.427 nan 8.360 nan 0.000 0.497 1281 R N 0.430 120.938 120.500 0.013 0.000 2.774 1281 R HA 0.321 4.661 4.340 -0.001 0.000 0.269 1281 R C -0.948 175.379 176.300 0.046 0.000 1.068 1281 R CA 0.042 56.144 56.100 0.003 0.000 1.180 1281 R CB 0.755 31.046 30.300 -0.016 0.000 1.077 1281 R HN 0.041 nan 8.270 nan 0.000 0.513 1282 V N 1.988 121.956 119.914 0.090 0.000 2.697 1282 V HA 0.191 4.311 4.120 -0.001 0.000 0.296 1282 V C -0.863 175.314 176.094 0.138 0.000 1.140 1282 V CA -0.733 61.624 62.300 0.094 0.000 0.921 1282 V CB 1.959 33.832 31.823 0.082 0.000 1.036 1282 V HN 0.435 nan 8.190 nan 0.000 0.438 1283 V N 5.227 125.188 119.914 0.080 0.000 2.864 1283 V HA 0.587 4.706 4.120 -0.001 0.000 0.314 1283 V C -0.022 176.083 176.094 0.018 0.000 1.073 1283 V CA -0.691 61.656 62.300 0.078 0.000 0.956 1283 V CB 2.324 34.192 31.823 0.074 0.000 1.023 1283 V HN 0.804 nan 8.190 nan 0.000 0.435 1284 M N 4.544 124.149 119.600 0.009 0.000 2.318 1284 M HA 0.629 5.109 4.480 -0.001 0.000 0.347 1284 M C -0.798 175.567 176.300 0.108 0.000 1.175 1284 M CA -0.145 55.169 55.300 0.023 0.000 1.075 1284 M CB 1.579 34.131 32.600 -0.079 0.000 1.614 1284 M HN 0.433 nan 8.290 nan 0.000 0.456 1285 M N 1.829 121.491 119.600 0.103 0.000 2.664 1285 M HA 0.452 4.931 4.480 -0.001 0.000 0.279 1285 M C -1.136 175.104 176.300 -0.099 0.000 1.275 1285 M CA -0.728 54.580 55.300 0.013 0.000 0.829 1285 M CB 2.384 34.885 32.600 -0.165 0.000 1.727 1285 M HN 0.513 nan 8.290 nan 0.000 0.459 1286 K N 1.255 121.535 120.400 -0.200 0.000 2.507 1286 K HA 0.519 4.839 4.320 -0.001 0.000 0.253 1286 K C -1.908 174.631 176.600 -0.101 0.000 0.969 1286 K CA -0.165 55.878 56.287 -0.406 0.000 0.908 1286 K CB 1.035 33.121 32.500 -0.690 0.000 1.127 1286 K HN 0.625 nan 8.250 nan 0.000 0.437 1287 Y N 1.798 122.034 120.300 -0.107 0.000 2.320 1287 Y HA 0.175 4.724 4.550 -0.001 0.000 0.324 1287 Y C 0.633 176.506 175.900 -0.046 0.000 1.190 1287 Y CA -1.308 56.770 58.100 -0.036 0.000 1.215 1287 Y CB 1.227 39.709 38.460 0.037 0.000 1.221 1287 Y HN 0.475 nan 8.280 nan 0.000 0.486 1288 D N 2.404 122.886 120.400 0.136 0.000 2.283 1288 D HA 0.232 4.872 4.640 -0.001 0.000 0.248 1288 D C -0.552 175.797 176.300 0.082 0.000 1.072 1288 D CA -0.199 53.839 54.000 0.063 0.000 0.929 1288 D CB 1.434 42.252 40.800 0.031 0.000 1.182 1288 D HN 0.465 nan 8.370 nan 0.000 0.433 1289 R N 1.853 122.393 120.500 0.067 0.000 2.515 1289 R HA 0.127 4.467 4.340 -0.001 0.000 0.291 1289 R C -0.803 175.542 176.300 0.075 0.000 1.046 1289 R CA -0.762 55.383 56.100 0.075 0.000 0.914 1289 R CB 0.976 31.332 30.300 0.094 0.000 1.191 1289 R HN 0.117 nan 8.270 nan 0.000 0.435 1290 K N 3.375 123.822 120.400 0.079 0.000 2.378 1290 K HA 0.201 4.521 4.320 -0.001 0.000 0.288 1290 K C -0.696 176.050 176.600 0.243 0.000 1.057 1290 K CA -0.003 56.366 56.287 0.136 0.000 0.971 1290 K CB 1.249 33.777 32.500 0.046 0.000 0.975 1290 K HN 0.310 nan 8.250 nan 0.000 0.475 1291 V N 5.755 125.821 119.914 0.253 0.000 2.962 1291 V HA 0.316 4.435 4.120 -0.001 0.000 0.313 1291 V C -2.430 173.635 176.094 -0.048 0.000 1.099 1291 V CA -2.311 60.080 62.300 0.152 0.000 0.971 1291 V CB 2.503 34.358 31.823 0.053 0.000 1.028 1291 V HN 0.544 nan 8.190 nan 0.000 0.430 1292 P HA 0.243 nan 4.420 nan 0.000 0.276 1292 P C -0.527 176.638 177.300 -0.225 0.000 1.235 1292 P CA 0.039 62.847 63.100 -0.488 0.000 0.772 1292 P CB 0.713 32.126 31.700 -0.479 0.000 0.871 1293 S N 4.561 120.149 115.700 -0.185 0.000 2.669 1293 S HA 0.378 4.848 4.470 -0.001 0.000 0.270 1293 S C -1.295 173.245 174.600 -0.099 0.000 1.225 1293 S CA -1.088 57.051 58.200 -0.101 0.000 0.991 1293 S CB 0.052 63.214 63.200 -0.063 0.000 0.987 1293 S HN 0.305 nan 8.310 nan 0.000 0.552 1294 P HA -0.050 nan 4.420 nan 0.000 0.219 1294 P C 1.066 178.334 177.300 -0.054 0.000 1.146 1294 P CA 1.259 64.325 63.100 -0.057 0.000 0.808 1294 P CB -0.444 31.232 31.700 -0.039 0.000 0.779 1295 T N -1.886 112.640 114.554 -0.047 0.000 3.088 1295 T HA 0.226 4.575 4.350 -0.001 0.000 0.259 1295 T C 1.517 176.189 174.700 -0.046 0.000 1.122 1295 T CA 1.262 63.342 62.100 -0.033 0.000 1.095 1295 T CB -0.221 68.636 68.868 -0.017 0.000 0.930 1295 T HN 0.353 nan 8.240 nan 0.000 0.508 1296 G N 1.475 110.224 108.800 -0.086 0.000 2.376 1296 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.208 1296 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.208 1296 G C -0.143 174.664 174.900 -0.156 0.000 1.032 1296 G CA -0.338 44.690 45.100 -0.120 0.000 0.641 1296 G HN 0.548 nan 8.290 nan 0.000 0.503 1297 E N 0.961 121.112 120.200 -0.081 0.000 2.383 1297 E HA 0.550 4.900 4.350 -0.001 0.000 0.264 1297 E C -0.360 176.187 176.600 -0.089 0.000 1.050 1297 E CA -0.586 55.795 56.400 -0.033 0.000 0.896 1297 E CB 0.376 30.094 29.700 0.030 0.000 0.982 1297 E HN 0.419 nan 8.360 nan 0.000 0.424 1298 Y N 0.825 121.129 120.300 0.007 0.000 2.425 1298 Y HA 0.321 4.871 4.550 -0.001 0.000 0.331 1298 Y C 0.249 176.151 175.900 0.003 0.000 1.157 1298 Y CA -0.044 58.059 58.100 0.004 0.000 1.372 1298 Y CB 0.691 39.156 38.460 0.009 0.000 1.253 1298 Y HN 0.223 nan 8.280 nan 0.000 0.536 1299 V N 3.547 123.541 119.914 0.133 0.000 3.078 1299 V HA 0.338 4.458 4.120 -0.001 0.000 0.311 1299 V C -0.778 175.364 176.094 0.080 0.000 1.138 1299 V CA -1.715 60.632 62.300 0.078 0.000 1.007 1299 V CB 2.455 34.295 31.823 0.028 0.000 1.045 1299 V HN 0.574 nan 8.190 nan 0.000 0.432 1300 K N 2.143 122.574 120.400 0.053 0.000 2.234 1300 K HA 0.494 4.813 4.320 -0.001 0.000 0.282 1300 K C -0.553 176.062 176.600 0.025 0.000 1.039 1300 K CA -0.188 56.124 56.287 0.041 0.000 0.928 1300 K CB 0.982 33.497 32.500 0.026 0.000 1.039 1300 K HN 0.565 nan 8.250 nan 0.000 0.470 1301 E N 4.325 124.541 120.200 0.025 0.000 2.402 1301 E HA 0.170 4.520 4.350 -0.001 0.000 0.244 1301 E C -2.447 174.152 176.600 -0.003 0.000 0.945 1301 E CA -2.123 54.283 56.400 0.009 0.000 0.774 1301 E CB 1.377 31.087 29.700 0.017 0.000 1.296 1301 E HN 0.380 nan 8.360 nan 0.000 0.414 1302 P HA -0.052 nan 4.420 nan 0.000 0.268 1302 P C -0.889 176.328 177.300 -0.138 0.000 1.205 1302 P CA 0.300 63.341 63.100 -0.098 0.000 0.771 1302 P CB 0.779 32.382 31.700 -0.162 0.000 0.858 1303 E N 2.017 122.126 120.200 -0.153 0.000 2.331 1303 E HA 0.326 4.676 4.350 -0.001 0.000 0.275 1303 E C -1.443 175.017 176.600 -0.233 0.000 0.895 1303 E CA -1.004 55.320 56.400 -0.127 0.000 0.753 1303 E CB 0.862 30.602 29.700 0.068 0.000 1.216 1303 E HN 0.294 nan 8.360 nan 0.000 0.434 1304 W N 2.115 123.396 121.300 -0.031 0.000 2.266 1304 W HA 0.440 5.099 4.660 -0.001 0.000 0.317 1304 W C -0.478 175.931 176.519 -0.183 0.000 1.310 1304 W CA -0.321 56.957 57.345 -0.112 0.000 1.207 1304 W CB 1.371 30.786 29.460 -0.075 0.000 1.199 1304 W HN 0.238 nan 8.180 nan 0.000 0.544 1305 V N 4.709 124.565 119.914 -0.096 0.000 2.876 1305 V HA 0.453 4.573 4.120 -0.001 0.000 0.312 1305 V C -0.297 175.659 176.094 -0.229 0.000 1.085 1305 V CA -1.296 60.812 62.300 -0.319 0.000 0.945 1305 V CB 1.861 33.255 31.823 -0.714 0.000 1.017 1305 V HN 0.274 nan 8.190 nan 0.000 0.428 1306 L N 2.996 124.108 121.223 -0.186 0.000 2.296 1306 L HA 0.620 4.959 4.340 -0.001 0.000 0.286 1306 L C -0.196 176.634 176.870 -0.067 0.000 1.023 1306 L CA -0.407 54.376 54.840 -0.096 0.000 0.812 1306 L CB 1.462 43.487 42.059 -0.056 0.000 1.223 1306 L HN 0.644 nan 8.230 nan 0.000 0.421 1307 E N 1.968 122.155 120.200 -0.022 0.000 2.171 1307 E HA 0.446 4.795 4.350 -0.001 0.000 0.271 1307 E C -0.443 176.176 176.600 0.032 0.000 0.916 1307 E CA -0.532 55.884 56.400 0.027 0.000 0.774 1307 E CB 2.320 32.059 29.700 0.064 0.000 1.128 1307 E HN 0.637 nan 8.360 nan 0.000 0.403 1308 T N -0.623 113.952 114.554 0.034 0.000 2.940 1308 T HA 0.469 4.818 4.350 -0.001 0.000 0.288 1308 T C -0.630 174.084 174.700 0.023 0.000 1.045 1308 T CA -0.978 61.139 62.100 0.028 0.000 1.018 1308 T CB 1.377 70.258 68.868 0.022 0.000 1.151 1308 T HN 0.145 nan 8.240 nan 0.000 0.529 1309 D N 0.134 120.544 120.400 0.017 0.000 2.438 1309 D HA 0.661 5.300 4.640 -0.001 0.000 0.257 1309 D C 0.164 176.464 176.300 -0.000 0.000 1.148 1309 D CA 0.452 54.456 54.000 0.008 0.000 0.902 1309 D CB 0.672 41.475 40.800 0.005 0.000 1.062 1309 D HN 1.133 nan 8.370 nan 0.000 0.518 1310 G N -0.210 108.585 108.800 -0.009 0.000 2.375 1310 G HA2 0.251 4.210 3.960 -0.001 0.000 0.663 1310 G HA3 0.251 4.210 3.960 -0.001 0.000 0.663 1310 G C -1.646 173.239 174.900 -0.025 0.000 1.391 1310 G CA -0.939 44.148 45.100 -0.021 0.000 0.949 1310 G HN 0.337 nan 8.290 nan 0.000 0.646 1311 V N 1.339 121.230 119.914 -0.038 0.000 2.686 1311 V HA 0.806 4.925 4.120 -0.001 0.000 0.306 1311 V C -0.515 175.553 176.094 -0.044 0.000 1.065 1311 V CA -0.926 61.349 62.300 -0.041 0.000 0.894 1311 V CB 2.183 33.972 31.823 -0.055 0.000 1.004 1311 V HN 0.974 nan 8.190 nan 0.000 0.424 1312 N N 3.263 121.943 118.700 -0.034 0.000 2.785 1312 N HA 0.132 4.872 4.740 -0.001 0.000 0.224 1312 N C 0.229 175.729 175.510 -0.018 0.000 1.448 1312 N CA -0.338 52.693 53.050 -0.031 0.000 0.748 1312 N CB 1.295 39.761 38.487 -0.035 0.000 1.385 1312 N HN 0.570 nan 8.380 nan 0.000 0.538 1313 L N 2.053 123.265 121.223 -0.018 0.000 1.989 1313 L HA -0.120 4.220 4.340 -0.001 0.000 0.211 1313 L C 2.261 179.134 176.870 0.005 0.000 1.071 1313 L CA 2.621 57.458 54.840 -0.004 0.000 0.749 1313 L CB -0.937 41.116 42.059 -0.011 0.000 0.890 1313 L HN 0.535 nan 8.230 nan 0.000 0.431 1314 S N -1.133 114.567 115.700 0.000 0.000 2.365 1314 S HA -0.267 4.203 4.470 -0.001 0.000 0.225 1314 S C 1.805 176.409 174.600 0.006 0.000 1.039 1314 S CA 1.629 59.832 58.200 0.004 0.000 1.033 1314 S CB -0.881 62.318 63.200 -0.001 0.000 0.887 1314 S HN 0.670 nan 8.310 nan 0.000 0.447 1315 E N 0.662 120.862 120.200 -0.000 0.000 2.076 1315 E HA 0.006 4.355 4.350 -0.001 0.000 0.190 1315 E C 2.224 178.829 176.600 0.008 0.000 0.979 1315 E CA 1.041 57.442 56.400 0.002 0.000 0.807 1315 E CB -0.261 29.436 29.700 -0.005 0.000 0.761 1315 E HN 0.388 nan 8.360 nan 0.000 0.454 1316 V N 1.646 121.567 119.914 0.011 0.000 2.427 1316 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 1316 V C 2.367 178.477 176.094 0.028 0.000 1.051 1316 V CA 1.554 63.865 62.300 0.018 0.000 1.048 1316 V CB -0.358 31.477 31.823 0.020 0.000 0.666 1316 V HN 0.340 nan 8.190 nan 0.000 0.456 1317 M N -0.308 119.311 119.600 0.031 0.000 2.260 1317 M HA -0.227 4.252 4.480 -0.001 0.000 0.261 1317 M C 1.962 178.283 176.300 0.036 0.000 1.066 1317 M CA 2.127 57.452 55.300 0.041 0.000 1.082 1317 M CB -0.253 32.371 32.600 0.039 0.000 1.388 1317 M HN 0.347 nan 8.290 nan 0.000 0.419 1318 T N 0.177 114.746 114.554 0.025 0.000 3.100 1318 T HA 0.144 4.494 4.350 -0.001 0.000 0.253 1318 T C 0.227 174.938 174.700 0.018 0.000 1.118 1318 T CA -0.106 62.006 62.100 0.021 0.000 1.058 1318 T CB -0.179 68.698 68.868 0.014 0.000 0.953 1318 T HN 0.122 nan 8.240 nan 0.000 0.515 1319 V N 5.232 125.157 119.914 0.019 0.000 2.655 1319 V HA 0.191 4.310 4.120 -0.001 0.000 0.300 1319 V C -1.761 174.342 176.094 0.015 0.000 1.044 1319 V CA -1.487 60.821 62.300 0.014 0.000 1.095 1319 V CB 0.703 32.534 31.823 0.012 0.000 0.952 1319 V HN 0.347 nan 8.190 nan 0.000 0.485 1320 P HA 0.263 nan 4.420 nan 0.000 0.272 1320 P C 0.734 178.037 177.300 0.004 0.000 1.223 1320 P CA 0.778 63.882 63.100 0.007 0.000 0.784 1320 P CB 1.135 32.834 31.700 -0.002 0.000 0.923 1321 G N 1.408 110.215 108.800 0.012 0.000 2.213 1321 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.236 1321 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.236 1321 G C 0.222 175.148 174.900 0.042 0.000 0.991 1321 G CA 0.278 45.383 45.100 0.009 0.000 0.629 1321 G HN 0.759 nan 8.290 nan 0.000 0.517 1322 I N -2.625 117.977 120.570 0.054 0.000 3.205 1322 I HA 0.803 4.973 4.170 -0.001 0.000 0.310 1322 I C -0.727 175.448 176.117 0.097 0.000 1.089 1322 I CA -1.121 60.228 61.300 0.082 0.000 1.023 1322 I CB 1.752 39.799 38.000 0.078 0.000 1.269 1322 I HN -0.092 nan 8.210 nan 0.000 0.512 1323 D N 2.949 123.426 120.400 0.128 0.000 2.493 1323 D HA 0.303 4.943 4.640 -0.001 0.000 0.235 1323 D C -1.737 174.631 176.300 0.113 0.000 1.117 1323 D CA -2.163 51.906 54.000 0.116 0.000 0.930 1323 D CB 1.197 42.078 40.800 0.136 0.000 1.010 1323 D HN 0.361 nan 8.370 nan 0.000 0.514 1324 P HA -0.113 nan 4.420 nan 0.000 0.223 1324 P C 1.276 178.621 177.300 0.075 0.000 1.144 1324 P CA 0.728 63.876 63.100 0.079 0.000 0.783 1324 P CB 0.369 32.103 31.700 0.057 0.000 0.771 1325 T N -0.132 114.458 114.554 0.059 0.000 2.915 1325 T HA -0.014 4.336 4.350 -0.001 0.000 0.269 1325 T C 1.602 176.322 174.700 0.033 0.000 1.071 1325 T CA 1.068 63.190 62.100 0.037 0.000 1.132 1325 T CB -0.189 68.689 68.868 0.017 0.000 0.878 1325 T HN 0.278 nan 8.240 nan 0.000 0.479 1326 R N -0.343 120.187 120.500 0.050 0.000 2.476 1326 R HA 0.415 4.754 4.340 -0.001 0.000 0.276 1326 R C 0.526 176.940 176.300 0.192 0.000 0.941 1326 R CA -0.262 55.844 56.100 0.011 0.000 1.088 1326 R CB 0.446 30.627 30.300 -0.199 0.000 1.216 1326 R HN 0.335 nan 8.270 nan 0.000 0.533 1327 I N 1.231 121.947 120.570 0.243 0.000 2.872 1327 I HA -0.115 4.055 4.170 -0.001 0.000 0.291 1327 I C -0.600 175.728 176.117 0.351 0.000 1.216 1327 I CA 0.529 62.011 61.300 0.304 0.000 1.424 1327 I CB 0.330 38.442 38.000 0.187 0.000 1.351 1327 I HN 0.005 nan 8.210 nan 0.000 0.592 1328 Y N 5.167 125.587 120.300 0.201 0.000 2.655 1328 Y HA 0.539 5.089 4.550 -0.001 0.000 0.336 1328 Y C -0.810 175.170 175.900 0.134 0.000 1.154 1328 Y CA -0.637 57.563 58.100 0.167 0.000 1.055 1328 Y CB 1.879 40.465 38.460 0.210 0.000 1.295 1328 Y HN 0.573 nan 8.280 nan 0.000 0.465 1329 T N 2.283 116.289 114.554 -0.914 0.000 3.047 1329 T HA 0.212 4.561 4.350 -0.001 0.000 0.340 1329 T C -0.557 173.666 174.700 -0.795 0.000 1.421 1329 T CA -0.434 61.316 62.100 -0.583 0.000 1.090 1329 T CB 0.431 69.144 68.868 -0.259 0.000 1.292 1329 T HN 0.775 nan 8.240 nan 0.000 0.480 1330 N N 2.118 120.621 118.700 -0.329 0.000 2.571 1330 N HA 0.040 4.780 4.740 -0.001 0.000 0.189 1330 N C 0.619 176.094 175.510 -0.058 0.000 1.154 1330 N CA 0.121 53.110 53.050 -0.102 0.000 0.907 1330 N CB 0.189 38.710 38.487 0.056 0.000 0.977 1330 N HN 0.297 nan 8.380 nan 0.000 0.449 1331 S N 0.741 116.346 115.700 -0.158 0.000 3.363 1331 S HA 0.154 4.624 4.470 -0.001 0.000 0.267 1331 S C 0.553 175.025 174.600 -0.213 0.000 1.288 1331 S CA -0.993 57.076 58.200 -0.218 0.000 0.948 1331 S CB -1.195 61.889 63.200 -0.193 0.000 1.397 1331 S HN 0.344 nan 8.310 nan 0.000 0.493 1332 F N 2.520 122.446 119.950 -0.039 0.000 2.411 1332 F HA -0.013 4.514 4.527 -0.001 0.000 0.299 1332 F C 1.256 177.059 175.800 0.005 0.000 1.077 1332 F CA 0.707 58.704 58.000 -0.004 0.000 1.439 1332 F CB -0.709 38.317 39.000 0.043 0.000 1.085 1332 F HN 0.476 nan 8.300 nan 0.000 0.564 1333 I N 0.763 121.091 120.570 -0.403 0.000 2.353 1333 I HA -0.201 3.969 4.170 -0.001 0.000 0.248 1333 I C 2.004 178.072 176.117 -0.081 0.000 1.119 1333 I CA 1.262 62.439 61.300 -0.205 0.000 1.417 1333 I CB -0.495 37.325 38.000 -0.300 0.000 1.078 1333 I HN 0.148 nan 8.210 nan 0.000 0.421 1334 D N 0.942 121.281 120.400 -0.102 0.000 2.149 1334 D HA -0.079 4.561 4.640 -0.001 0.000 0.201 1334 D C 2.327 178.618 176.300 -0.015 0.000 0.972 1334 D CA 1.115 55.081 54.000 -0.056 0.000 0.835 1334 D CB 0.115 40.871 40.800 -0.073 0.000 0.966 1334 D HN 0.305 nan 8.370 nan 0.000 0.476 1335 I N 1.262 121.832 120.570 -0.001 0.000 2.208 1335 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 1335 I C 2.658 178.815 176.117 0.066 0.000 1.097 1335 I CA 0.871 62.198 61.300 0.044 0.000 1.363 1335 I CB -0.229 37.821 38.000 0.084 0.000 1.051 1335 I HN 0.045 nan 8.210 nan 0.000 0.413 1336 M N 0.944 120.594 119.600 0.083 0.000 2.065 1336 M HA -0.271 4.208 4.480 -0.001 0.000 0.259 1336 M C 2.062 178.393 176.300 0.051 0.000 1.069 1336 M CA 2.040 57.389 55.300 0.083 0.000 1.110 1336 M CB -0.285 32.379 32.600 0.106 0.000 1.328 1336 M HN 0.175 nan 8.290 nan 0.000 0.405 1337 E N -0.635 119.585 120.200 0.032 0.000 2.204 1337 E HA -0.153 4.197 4.350 -0.001 0.000 0.195 1337 E C 1.892 178.503 176.600 0.018 0.000 0.990 1337 E CA 1.359 57.770 56.400 0.019 0.000 0.821 1337 E CB -0.013 29.689 29.700 0.004 0.000 0.750 1337 E HN 0.446 nan 8.360 nan 0.000 0.477 1338 V N 0.485 120.412 119.914 0.021 0.000 2.672 1338 V HA -0.048 4.072 4.120 -0.001 0.000 0.242 1338 V C 1.852 177.964 176.094 0.031 0.000 1.059 1338 V CA 0.803 63.117 62.300 0.022 0.000 1.081 1338 V CB 0.032 31.867 31.823 0.019 0.000 0.752 1338 V HN 0.207 nan 8.190 nan 0.000 0.472 1339 L N -0.015 121.232 121.223 0.041 0.000 2.585 1339 L HA 0.545 4.885 4.340 -0.001 0.000 0.226 1339 L C 1.012 177.910 176.870 0.046 0.000 1.113 1339 L CA 0.720 55.588 54.840 0.047 0.000 0.876 1339 L CB -0.122 41.974 42.059 0.062 0.000 1.072 1339 L HN 0.521 nan 8.230 nan 0.000 0.468 1340 G N 0.341 109.169 108.800 0.047 0.000 2.612 1340 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.686 1340 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.686 1340 G C 0.161 175.096 174.900 0.059 0.000 1.274 1340 G CA -0.187 44.940 45.100 0.046 0.000 0.849 1340 G HN -0.006 nan 8.290 nan 0.000 0.595 1341 I N -0.004 120.599 120.570 0.055 0.000 2.315 1341 I HA -0.077 4.093 4.170 -0.001 0.000 0.248 1341 I C 2.441 178.596 176.117 0.065 0.000 1.117 1341 I CA 1.855 63.194 61.300 0.064 0.000 1.404 1341 I CB -0.089 37.945 38.000 0.056 0.000 1.071 1341 I HN 0.651 nan 8.210 nan 0.000 0.419 1342 E N 1.033 121.264 120.200 0.053 0.000 2.118 1342 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 1342 E C 2.144 178.779 176.600 0.059 0.000 0.992 1342 E CA 1.437 57.866 56.400 0.048 0.000 0.804 1342 E CB -0.238 29.482 29.700 0.034 0.000 0.741 1342 E HN 0.625 nan 8.360 nan 0.000 0.458 1343 A N 0.622 123.482 122.820 0.068 0.000 1.968 1343 A HA 0.024 4.344 4.320 -0.001 0.000 0.217 1343 A C 2.439 180.096 177.584 0.121 0.000 1.169 1343 A CA 1.514 53.605 52.037 0.089 0.000 0.638 1343 A CB -0.780 18.272 19.000 0.085 0.000 0.812 1343 A HN 0.319 nan 8.150 nan 0.000 0.446 1344 G N -0.396 108.474 108.800 0.117 0.000 2.446 1344 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.217 1344 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.217 1344 G C 1.758 176.736 174.900 0.130 0.000 1.168 1344 G CA 0.984 46.175 45.100 0.152 0.000 0.771 1344 G HN 0.498 nan 8.290 nan 0.000 0.551 1345 R N 0.514 121.068 120.500 0.091 0.000 2.082 1345 R HA -0.091 4.249 4.340 -0.001 0.000 0.234 1345 R C 2.973 179.331 176.300 0.097 0.000 1.136 1345 R CA 1.632 57.771 56.100 0.066 0.000 0.935 1345 R CB -0.566 29.765 30.300 0.051 0.000 0.842 1345 R HN 0.289 nan 8.270 nan 0.000 0.430 1346 A N 0.643 123.528 122.820 0.108 0.000 1.927 1346 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 1346 A C 2.341 180.052 177.584 0.212 0.000 1.185 1346 A CA 2.174 54.295 52.037 0.139 0.000 0.639 1346 A CB -0.797 18.263 19.000 0.101 0.000 0.820 1346 A HN 0.587 nan 8.150 nan 0.000 0.451 1347 A N -0.848 122.107 122.820 0.226 0.000 1.873 1347 A HA 0.017 4.337 4.320 -0.001 0.000 0.215 1347 A C 2.114 179.823 177.584 0.208 0.000 1.186 1347 A CA 1.631 53.858 52.037 0.317 0.000 0.616 1347 A CB -0.648 18.566 19.000 0.356 0.000 0.823 1347 A HN 0.708 nan 8.150 nan 0.000 0.442 1348 L N -1.453 119.797 121.223 0.045 0.000 2.127 1348 L HA -0.183 4.157 4.340 -0.001 0.000 0.211 1348 L C 2.276 179.104 176.870 -0.069 0.000 1.089 1348 L CA 2.323 57.014 54.840 -0.249 0.000 0.757 1348 L CB -0.782 41.041 42.059 -0.393 0.000 0.899 1348 L HN 0.566 nan 8.230 nan 0.000 0.434 1349 Y N 0.185 120.466 120.300 -0.031 0.000 2.220 1349 Y HA -0.223 4.327 4.550 -0.001 0.000 0.291 1349 Y C 2.638 178.595 175.900 0.094 0.000 1.129 1349 Y CA 2.160 60.268 58.100 0.014 0.000 1.161 1349 Y CB -0.198 38.275 38.460 0.023 0.000 0.997 1349 Y HN 0.233 nan 8.280 nan 0.000 0.522 1350 K N 0.045 120.500 120.400 0.093 0.000 2.103 1350 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 1350 K C 1.869 178.517 176.600 0.080 0.000 1.048 1350 K CA 1.778 58.101 56.287 0.061 0.000 0.930 1350 K CB -0.040 32.545 32.500 0.142 0.000 0.716 1350 K HN 0.264 nan 8.250 nan 0.000 0.444 1351 E N 0.420 120.681 120.200 0.101 0.000 2.028 1351 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 1351 E C 2.180 178.786 176.600 0.009 0.000 0.988 1351 E CA 1.160 57.621 56.400 0.103 0.000 0.799 1351 E CB -0.493 29.292 29.700 0.141 0.000 0.755 1351 E HN 0.135 nan 8.360 nan 0.000 0.447 1352 V N 1.161 121.032 119.914 -0.071 0.000 2.287 1352 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 1352 V C 2.319 178.342 176.094 -0.118 0.000 1.053 1352 V CA 2.072 64.312 62.300 -0.099 0.000 1.027 1352 V CB -0.745 31.005 31.823 -0.123 0.000 0.646 1352 V HN 0.260 nan 8.190 nan 0.000 0.447 1353 Y N 1.663 121.749 120.300 -0.356 0.000 2.207 1353 Y HA -0.263 4.286 4.550 -0.001 0.000 0.287 1353 Y C 2.511 178.326 175.900 -0.141 0.000 1.156 1353 Y CA 2.092 59.991 58.100 -0.335 0.000 1.182 1353 Y CB -0.299 37.811 38.460 -0.582 0.000 0.979 1353 Y HN 0.293 nan 8.280 nan 0.000 0.521 1354 N N -0.191 118.490 118.700 -0.031 0.000 2.188 1354 N HA -0.153 4.587 4.740 -0.001 0.000 0.184 1354 N C 1.901 177.346 175.510 -0.110 0.000 1.018 1354 N CA 1.557 54.573 53.050 -0.058 0.000 0.858 1354 N CB -0.500 38.024 38.487 0.061 0.000 0.989 1354 N HN 0.304 nan 8.380 nan 0.000 0.426 1355 V N 1.333 121.199 119.914 -0.080 0.000 2.720 1355 V HA -0.129 3.991 4.120 -0.001 0.000 0.256 1355 V C 1.968 177.996 176.094 -0.110 0.000 1.082 1355 V CA 1.111 63.369 62.300 -0.070 0.000 1.101 1355 V CB -0.296 31.499 31.823 -0.046 0.000 0.693 1355 V HN 0.259 nan 8.190 nan 0.000 0.479 1356 I N -0.388 120.073 120.570 -0.181 0.000 3.265 1356 I HA 0.070 4.239 4.170 -0.001 0.000 0.282 1356 I C 2.372 178.358 176.117 -0.218 0.000 1.207 1356 I CA 0.881 62.068 61.300 -0.188 0.000 1.449 1356 I CB -0.213 37.664 38.000 -0.204 0.000 1.121 1356 I HN 0.223 nan 8.210 nan 0.000 0.442 1357 A N 0.649 123.275 122.820 -0.324 0.000 2.072 1357 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 1357 A C 2.403 179.906 177.584 -0.135 0.000 1.156 1357 A CA 1.235 53.107 52.037 -0.275 0.000 0.701 1357 A CB -0.498 18.254 19.000 -0.414 0.000 0.816 1357 A HN 0.453 nan 8.150 nan 0.000 0.458 1358 S N 0.049 115.683 115.700 -0.110 0.000 2.419 1358 S HA -0.147 4.323 4.470 -0.001 0.000 0.233 1358 S C 0.880 175.454 174.600 -0.044 0.000 1.016 1358 S CA 1.448 59.613 58.200 -0.059 0.000 0.974 1358 S CB -0.302 62.872 63.200 -0.043 0.000 0.786 1358 S HN 0.541 nan 8.310 nan 0.000 0.492 1359 D N 0.622 120.991 120.400 -0.052 0.000 2.368 1359 D HA 0.284 4.924 4.640 -0.001 0.000 0.218 1359 D C 1.377 177.659 176.300 -0.029 0.000 1.112 1359 D CA 0.582 54.560 54.000 -0.035 0.000 0.834 1359 D CB 0.433 41.210 40.800 -0.037 0.000 0.953 1359 D HN 0.584 nan 8.370 nan 0.000 0.505 1360 G N 1.180 109.959 108.800 -0.036 0.000 2.212 1360 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.266 1360 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.266 1360 G C 0.695 175.593 174.900 -0.003 0.000 0.978 1360 G CA 0.505 45.592 45.100 -0.022 0.000 0.632 1360 G HN 0.344 nan 8.290 nan 0.000 0.537 1361 S N -0.483 115.209 115.700 -0.013 0.000 2.576 1361 S HA 0.496 4.966 4.470 -0.001 0.000 0.272 1361 S C -0.313 174.330 174.600 0.072 0.000 1.352 1361 S CA 0.405 58.614 58.200 0.014 0.000 1.021 1361 S CB 1.204 64.387 63.200 -0.027 0.000 0.887 1361 S HN 0.887 nan 8.310 nan 0.000 0.542 1362 Y N 0.416 120.697 120.300 -0.031 0.000 2.492 1362 Y HA 0.609 5.158 4.550 -0.001 0.000 0.346 1362 Y C -1.399 174.529 175.900 0.047 0.000 0.997 1362 Y CA -0.937 57.164 58.100 0.001 0.000 1.025 1362 Y CB 1.155 39.631 38.460 0.026 0.000 1.263 1362 Y HN 0.384 nan 8.280 nan 0.000 0.454 1363 V N 5.436 124.864 119.914 -0.811 0.000 2.686 1363 V HA 0.249 4.369 4.120 -0.001 0.000 0.306 1363 V C -0.581 175.096 176.094 -0.695 0.000 1.065 1363 V CA -1.365 60.598 62.300 -0.561 0.000 0.894 1363 V CB 1.800 33.515 31.823 -0.180 0.000 1.004 1363 V HN 0.861 nan 8.190 nan 0.000 0.424 1364 N N 2.195 120.676 118.700 -0.364 0.000 2.412 1364 N HA -0.048 4.691 4.740 -0.001 0.000 0.254 1364 N C 1.057 176.583 175.510 0.026 0.000 1.232 1364 N CA 0.179 53.171 53.050 -0.096 0.000 0.880 1364 N CB 0.331 38.843 38.487 0.042 0.000 1.076 1364 N HN 0.730 nan 8.380 nan 0.000 0.458 1365 Y N 4.552 124.892 120.300 0.066 0.000 2.062 1365 Y HA -0.423 4.127 4.550 -0.001 0.000 0.273 1365 Y C 2.181 178.064 175.900 -0.029 0.000 1.206 1365 Y CA 2.598 60.764 58.100 0.111 0.000 1.125 1365 Y CB -0.208 38.310 38.460 0.096 0.000 0.951 1365 Y HN 0.735 nan 8.280 nan 0.000 0.501 1366 R N -1.083 119.258 120.500 -0.265 0.000 2.139 1366 R HA -0.228 4.111 4.340 -0.001 0.000 0.243 1366 R C 1.832 177.902 176.300 -0.384 0.000 1.145 1366 R CA 1.864 57.684 56.100 -0.468 0.000 0.976 1366 R CB -1.243 28.719 30.300 -0.564 0.000 0.866 1366 R HN 0.474 nan 8.270 nan 0.000 0.449 1367 H N 0.937 119.960 119.070 -0.078 0.000 2.326 1367 H HA 0.008 4.564 4.556 -0.001 0.000 0.301 1367 H C 2.191 177.484 175.328 -0.059 0.000 1.081 1367 H CA 1.834 57.862 56.048 -0.034 0.000 1.334 1367 H CB -0.299 29.450 29.762 -0.021 0.000 1.385 1367 H HN 0.258 nan 8.280 nan 0.000 0.504 1368 M N 0.141 119.767 119.600 0.044 0.000 2.229 1368 M HA -0.037 4.443 4.480 -0.001 0.000 0.264 1368 M C 2.696 178.990 176.300 -0.011 0.000 1.063 1368 M CA 1.135 56.468 55.300 0.055 0.000 1.114 1368 M CB -0.067 32.628 32.600 0.159 0.000 1.387 1368 M HN 0.238 nan 8.290 nan 0.000 0.420 1369 A N 0.460 123.122 122.820 -0.263 0.000 1.877 1369 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 1369 A C 2.080 179.565 177.584 -0.166 0.000 1.186 1369 A CA 1.428 53.230 52.037 -0.391 0.000 0.620 1369 A CB -0.870 17.602 19.000 -0.879 0.000 0.822 1369 A HN 0.426 nan 8.150 nan 0.000 0.443 1370 L N -0.556 120.599 121.223 -0.112 0.000 2.042 1370 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 1370 L C 2.310 179.174 176.870 -0.010 0.000 1.076 1370 L CA 2.224 57.053 54.840 -0.020 0.000 0.749 1370 L CB -0.641 41.453 42.059 0.058 0.000 0.893 1370 L HN 0.420 nan 8.230 nan 0.000 0.432 1371 L N -1.280 119.939 121.223 -0.007 0.000 2.012 1371 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 1371 L C 2.362 179.222 176.870 -0.017 0.000 1.073 1371 L CA 1.951 56.785 54.840 -0.009 0.000 0.748 1371 L CB -0.797 41.255 42.059 -0.011 0.000 0.891 1371 L HN 0.086 nan 8.230 nan 0.000 0.431 1372 V N 0.160 120.065 119.914 -0.015 0.000 2.490 1372 V HA -0.261 3.859 4.120 -0.001 0.000 0.250 1372 V C 2.180 178.267 176.094 -0.012 0.000 1.061 1372 V CA 1.935 64.227 62.300 -0.014 0.000 1.064 1372 V CB -0.805 31.035 31.823 0.028 0.000 0.670 1372 V HN 0.530 nan 8.190 nan 0.000 0.461 1373 D N -0.339 120.052 120.400 -0.015 0.000 2.149 1373 D HA -0.091 4.548 4.640 -0.001 0.000 0.201 1373 D C 2.183 178.482 176.300 -0.001 0.000 0.972 1373 D CA 1.050 55.047 54.000 -0.005 0.000 0.835 1373 D CB -0.125 40.670 40.800 -0.010 0.000 0.966 1373 D HN 0.328 nan 8.370 nan 0.000 0.476 1374 V N 1.328 121.240 119.914 -0.004 0.000 2.343 1374 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 1374 V C 2.445 178.544 176.094 0.010 0.000 1.051 1374 V CA 1.281 63.581 62.300 0.000 0.000 1.036 1374 V CB -0.397 31.425 31.823 -0.001 0.000 0.654 1374 V HN 0.214 nan 8.190 nan 0.000 0.451 1375 M N -0.953 118.652 119.600 0.008 0.000 2.549 1375 M HA -0.102 4.378 4.480 -0.001 0.000 0.260 1375 M C 1.778 178.096 176.300 0.031 0.000 1.076 1375 M CA 1.337 56.650 55.300 0.021 0.000 1.090 1375 M CB -0.309 32.291 32.600 -0.001 0.000 1.418 1375 M HN 0.305 nan 8.290 nan 0.000 0.486 1376 T N -1.021 113.547 114.554 0.023 0.000 2.969 1376 T HA 0.030 4.380 4.350 -0.001 0.000 0.250 1376 T C 1.597 176.316 174.700 0.032 0.000 1.021 1376 T CA 0.563 62.683 62.100 0.033 0.000 1.003 1376 T CB 0.197 69.083 68.868 0.031 0.000 1.040 1376 T HN 0.299 nan 8.240 nan 0.000 0.492 1377 T N 2.841 117.409 114.554 0.023 0.000 2.714 1377 T HA -0.198 4.152 4.350 -0.001 0.000 0.268 1377 T C 1.499 176.213 174.700 0.024 0.000 1.036 1377 T CA 1.375 63.487 62.100 0.020 0.000 1.148 1377 T CB -0.295 68.575 68.868 0.003 0.000 0.856 1377 T HN 0.487 nan 8.240 nan 0.000 0.462 1378 Q N 0.305 120.119 119.800 0.022 0.000 2.282 1378 Q HA 0.391 4.731 4.340 -0.001 0.000 0.205 1378 Q C 1.669 177.685 176.000 0.026 0.000 0.915 1378 Q CA 0.250 56.066 55.803 0.022 0.000 0.949 1378 Q CB 0.274 29.021 28.738 0.014 0.000 1.035 1378 Q HN 0.643 nan 8.270 nan 0.000 0.484 1379 G N -0.277 108.543 108.800 0.033 0.000 2.241 1379 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.244 1379 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.244 1379 G C 0.336 175.260 174.900 0.040 0.000 0.998 1379 G CA -0.288 44.834 45.100 0.036 0.000 0.621 1379 G HN 0.594 nan 8.290 nan 0.000 0.519 1380 G N -0.982 107.842 108.800 0.040 0.000 2.816 1380 G HA2 0.668 4.627 3.960 -0.001 0.000 0.288 1380 G HA3 0.668 4.627 3.960 -0.001 0.000 0.288 1380 G C -0.548 174.393 174.900 0.067 0.000 1.334 1380 G CA -1.041 44.089 45.100 0.050 0.000 0.978 1380 G HN 0.676 nan 8.290 nan 0.000 0.493 1381 L N 1.647 122.928 121.223 0.097 0.000 2.334 1381 L HA 0.266 4.606 4.340 -0.001 0.000 0.286 1381 L C 0.165 177.113 176.870 0.130 0.000 1.108 1381 L CA -0.180 54.744 54.840 0.140 0.000 0.875 1381 L CB 0.441 42.647 42.059 0.245 0.000 1.246 1381 L HN 0.291 nan 8.230 nan 0.000 0.439 1382 T N 1.357 115.974 114.554 0.104 0.000 2.727 1382 T HA 0.137 4.486 4.350 -0.001 0.000 0.298 1382 T C 0.496 175.340 174.700 0.240 0.000 0.942 1382 T CA -0.267 61.903 62.100 0.116 0.000 0.997 1382 T CB 1.183 70.085 68.868 0.057 0.000 0.917 1382 T HN 0.589 nan 8.240 nan 0.000 0.487 1383 S N 2.445 118.466 115.700 0.535 0.000 2.587 1383 S HA 0.136 4.606 4.470 -0.001 0.000 0.260 1383 S C 1.184 175.830 174.600 0.076 0.000 1.353 1383 S CA -0.525 57.850 58.200 0.292 0.000 0.995 1383 S CB 0.375 63.632 63.200 0.095 0.000 0.912 1383 S HN 0.434 nan 8.310 nan 0.000 0.568 1384 V N 1.266 121.136 119.914 -0.074 0.000 3.455 1384 V HA 0.087 4.207 4.120 -0.001 0.000 0.250 1384 V C 1.198 177.184 176.094 -0.180 0.000 1.230 1384 V CA 0.765 63.010 62.300 -0.092 0.000 1.105 1384 V CB -0.206 31.575 31.823 -0.070 0.000 0.850 1384 V HN 0.953 nan 8.190 nan 0.000 0.461 1385 T N 4.191 118.617 114.554 -0.214 0.000 4.612 1385 T HA 0.116 4.466 4.350 -0.001 0.000 0.226 1385 T C 0.465 175.049 174.700 -0.193 0.000 0.789 1385 T CA 0.030 62.015 62.100 -0.193 0.000 0.896 1385 T CB -1.245 67.574 68.868 -0.082 0.000 1.419 1385 T HN 0.760 nan 8.240 nan 0.000 0.898 1386 R N 0.176 120.558 120.500 -0.198 0.000 2.362 1386 R HA -0.227 4.112 4.340 -0.001 0.000 0.325 1386 R C -0.604 175.575 176.300 -0.202 0.000 1.082 1386 R CA 0.540 56.548 56.100 -0.154 0.000 0.940 1386 R CB -1.840 28.410 30.300 -0.083 0.000 2.664 1386 R HN 0.463 nan 8.270 nan 0.000 0.501 1387 H N 2.417 121.426 119.070 -0.102 0.000 2.316 1387 H HA 0.132 4.688 4.556 -0.001 0.000 0.314 1387 H C 1.452 176.656 175.328 -0.207 0.000 1.057 1387 H CA 1.477 57.456 56.048 -0.115 0.000 1.402 1387 H CB -0.088 29.649 29.762 -0.041 0.000 1.443 1387 H HN 0.695 nan 8.280 nan 0.000 0.559 1388 G N -0.293 108.524 108.800 0.028 0.000 2.442 1388 G HA2 0.173 4.133 3.960 -0.001 0.000 0.249 1388 G HA3 0.173 4.133 3.960 -0.001 0.000 0.249 1388 G C 0.013 174.877 174.900 -0.061 0.000 1.263 1388 G CA -0.391 44.716 45.100 0.012 0.000 0.846 1388 G HN 0.119 nan 8.290 nan 0.000 0.555 1389 F N 0.322 120.339 119.950 0.112 0.000 2.512 1389 F HA 0.159 4.686 4.527 -0.001 0.000 0.296 1389 F C 1.030 176.955 175.800 0.209 0.000 1.110 1389 F CA 0.258 58.362 58.000 0.173 0.000 1.446 1389 F CB 0.275 39.319 39.000 0.073 0.000 1.092 1389 F HN 0.206 nan 8.300 nan 0.000 0.554 1390 N N 0.839 119.698 118.700 0.265 0.000 2.577 1390 N HA 0.462 5.201 4.740 -0.001 0.000 0.275 1390 N C -0.419 175.148 175.510 0.096 0.000 1.091 1390 N CA -0.304 52.845 53.050 0.165 0.000 0.843 1390 N CB 1.861 40.403 38.487 0.092 0.000 1.295 1390 N HN 0.107 nan 8.380 nan 0.000 0.530 1391 R N -0.175 120.369 120.500 0.073 0.000 4.262 1391 R HA -0.138 4.201 4.340 -0.001 0.000 0.181 1391 R C -0.061 176.258 176.300 0.032 0.000 0.248 1391 R CA 0.598 56.722 56.100 0.040 0.000 0.715 1391 R CB -1.389 28.930 30.300 0.032 0.000 1.177 1391 R HN 0.687 nan 8.270 nan 0.000 0.465 1392 S N -1.622 114.093 115.700 0.024 0.000 2.835 1392 S HA 0.006 4.476 4.470 -0.001 0.000 0.085 1392 S C -0.580 174.027 174.600 0.013 0.000 0.622 1392 S CA 0.108 58.321 58.200 0.021 0.000 1.515 1392 S CB -0.101 63.104 63.200 0.008 0.000 0.919 1392 S HN 0.704 nan 8.310 nan 0.000 0.278 1393 N N 1.021 119.725 118.700 0.008 0.000 4.650 1393 N HA 0.315 5.055 4.740 -0.001 0.000 0.147 1393 N C -1.154 174.357 175.510 0.002 0.000 1.331 1393 N CA 0.763 53.816 53.050 0.004 0.000 0.997 1393 N CB 0.783 39.270 38.487 0.002 0.000 1.701 1393 N HN 0.582 nan 8.380 nan 0.000 0.857 1394 T N -1.184 113.372 114.554 0.004 0.000 2.550 1394 T HA 0.899 5.249 4.350 -0.001 0.000 0.256 1394 T C -0.046 174.660 174.700 0.010 0.000 0.866 1394 T CA -0.544 61.558 62.100 0.003 0.000 1.163 1394 T CB 1.749 70.617 68.868 0.001 0.000 1.460 1394 T HN 0.312 nan 8.240 nan 0.000 0.498 1395 G N -0.436 108.370 108.800 0.010 0.000 2.746 1395 G HA2 0.563 4.523 3.960 -0.001 0.000 0.297 1395 G HA3 0.563 4.523 3.960 -0.001 0.000 0.297 1395 G C 0.019 174.923 174.900 0.006 0.000 1.426 1395 G CA -0.136 44.981 45.100 0.029 0.000 0.989 1395 G HN 0.825 nan 8.290 nan 0.000 0.520 1396 A N 1.355 124.157 122.820 -0.030 0.000 2.142 1396 A HA 0.329 4.649 4.320 -0.001 0.000 0.208 1396 A C 1.216 178.758 177.584 -0.070 0.000 1.344 1396 A CA 0.727 52.663 52.037 -0.169 0.000 1.045 1396 A CB -0.592 18.063 19.000 -0.575 0.000 0.784 1396 A HN 0.594 nan 8.150 nan 0.000 0.509 1397 L N -2.614 118.620 121.223 0.020 0.000 2.860 1397 L HA 0.240 4.579 4.340 -0.001 0.000 0.251 1397 L C 0.987 177.866 176.870 0.014 0.000 1.041 1397 L CA -0.279 54.588 54.840 0.045 0.000 0.985 1397 L CB -0.351 41.765 42.059 0.095 0.000 1.656 1397 L HN 0.310 nan 8.230 nan 0.000 0.526 1398 M N 1.379 120.984 119.600 0.009 0.000 2.247 1398 M HA -0.008 4.471 4.480 -0.001 0.000 0.318 1398 M C 0.520 176.814 176.300 -0.011 0.000 1.054 1398 M CA 0.364 55.663 55.300 -0.003 0.000 1.117 1398 M CB 0.087 32.685 32.600 -0.005 0.000 1.515 1398 M HN 0.126 nan 8.290 nan 0.000 0.442 1399 R N 1.678 122.168 120.500 -0.017 0.000 4.339 1399 R HA -0.196 4.144 4.340 -0.001 0.000 0.105 1399 R C -1.068 175.217 176.300 -0.024 0.000 0.301 1399 R CA 0.016 56.102 56.100 -0.024 0.000 0.787 1399 R CB -0.595 29.686 30.300 -0.032 0.000 1.118 1399 R HN 0.738 nan 8.270 nan 0.000 0.220 1400 C N 4.755 124.042 119.300 -0.023 0.000 2.665 1400 C HA 0.035 4.494 4.460 -0.001 0.000 0.397 1400 C C 1.304 176.283 174.990 -0.018 0.000 1.395 1400 C CA -0.082 58.924 59.018 -0.019 0.000 1.462 1400 C CB -1.625 26.101 27.740 -0.023 0.000 2.323 1400 C HN 0.685 nan 8.230 nan 0.000 0.617 1401 S N 2.799 118.501 115.700 0.004 0.000 2.585 1401 S HA 0.756 5.225 4.470 -0.001 0.000 0.277 1401 S C -0.542 174.126 174.600 0.113 0.000 1.241 1401 S CA -0.436 57.744 58.200 -0.034 0.000 1.041 1401 S CB 0.259 63.428 63.200 -0.052 0.000 0.987 1401 S HN 0.715 nan 8.310 nan 0.000 0.512 1402 F N -0.077 119.861 119.950 -0.020 0.000 2.089 1402 F HA -0.151 4.375 4.527 -0.001 0.000 0.456 1402 F C 1.102 176.875 175.800 -0.044 0.000 1.218 1402 F CA 0.325 58.310 58.000 -0.024 0.000 1.470 1402 F CB -0.764 38.222 39.000 -0.024 0.000 2.344 1402 F HN 0.853 nan 8.300 nan 0.000 0.727 1403 E N 1.881 122.157 120.200 0.128 0.000 2.492 1403 E HA -0.202 4.147 4.350 -0.001 0.000 0.204 1403 E C 0.240 176.851 176.600 0.018 0.000 1.073 1403 E CA 1.328 57.756 56.400 0.047 0.000 0.887 1403 E CB -0.192 29.527 29.700 0.031 0.000 0.813 1403 E HN 0.593 nan 8.360 nan 0.000 0.562 1404 E N 0.210 120.430 120.200 0.033 0.000 3.269 1404 E HA 0.110 4.460 4.350 -0.001 0.000 0.221 1404 E C 0.259 176.800 176.600 -0.098 0.000 1.113 1404 E CA -0.136 56.228 56.400 -0.060 0.000 1.385 1404 E CB 0.731 30.381 29.700 -0.085 0.000 1.345 1404 E HN -0.027 nan 8.360 nan 0.000 0.435 1405 T N 0.161 114.668 114.554 -0.078 0.000 2.778 1405 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 1405 T C 2.087 176.652 174.700 -0.225 0.000 1.050 1405 T CA 1.000 63.039 62.100 -0.101 0.000 1.137 1405 T CB -0.006 68.814 68.868 -0.081 0.000 0.860 1405 T HN 0.145 nan 8.240 nan 0.000 0.468 1406 V N 1.545 121.272 119.914 -0.311 0.000 2.277 1406 V HA -0.327 3.792 4.120 -0.001 0.000 0.255 1406 V C 2.443 178.045 176.094 -0.820 0.000 1.074 1406 V CA 2.086 64.024 62.300 -0.602 0.000 1.058 1406 V CB -0.617 30.824 31.823 -0.637 0.000 0.656 1406 V HN 0.616 nan 8.190 nan 0.000 0.449 1407 E N -0.507 119.374 120.200 -0.532 0.000 2.106 1407 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 1407 E C 2.122 178.582 176.600 -0.233 0.000 0.984 1407 E CA 1.403 57.590 56.400 -0.356 0.000 0.806 1407 E CB -0.207 29.353 29.700 -0.233 0.000 0.750 1407 E HN 0.619 nan 8.360 nan 0.000 0.458 1408 I N 0.833 121.273 120.570 -0.216 0.000 2.361 1408 I HA -0.269 3.901 4.170 -0.001 0.000 0.251 1408 I C 2.174 178.160 176.117 -0.219 0.000 1.133 1408 I CA 1.009 62.207 61.300 -0.170 0.000 1.413 1408 I CB -0.188 37.736 38.000 -0.127 0.000 1.073 1408 I HN 0.116 nan 8.210 nan 0.000 0.424 1409 L N -0.629 120.437 121.223 -0.260 0.000 2.209 1409 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 1409 L C 2.450 179.301 176.870 -0.032 0.000 1.094 1409 L CA 0.969 55.648 54.840 -0.268 0.000 0.790 1409 L CB -0.431 41.492 42.059 -0.226 0.000 0.932 1409 L HN 0.153 nan 8.230 nan 0.000 0.447 1410 F N 0.538 120.387 119.950 -0.167 0.000 2.134 1410 F HA -0.222 4.305 4.527 -0.001 0.000 0.299 1410 F C 2.637 178.427 175.800 -0.017 0.000 1.097 1410 F CA 0.758 58.660 58.000 -0.163 0.000 1.264 1410 F CB 0.030 38.738 39.000 -0.487 0.000 1.001 1410 F HN 0.151 nan 8.300 nan 0.000 0.479 1411 E N 0.375 120.629 120.200 0.090 0.000 2.107 1411 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 1411 E C 2.353 178.929 176.600 -0.039 0.000 0.982 1411 E CA 0.869 57.280 56.400 0.018 0.000 0.809 1411 E CB -0.271 29.391 29.700 -0.065 0.000 0.756 1411 E HN 0.334 nan 8.360 nan 0.000 0.459 1412 A N 1.455 124.209 122.820 -0.111 0.000 1.940 1412 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 1412 A C 2.412 179.979 177.584 -0.029 0.000 1.176 1412 A CA 1.887 53.817 52.037 -0.179 0.000 0.631 1412 A CB -0.992 17.682 19.000 -0.542 0.000 0.814 1412 A HN 0.341 nan 8.150 nan 0.000 0.446 1413 G N -0.792 108.041 108.800 0.054 0.000 2.394 1413 G HA2 0.093 4.052 3.960 -0.001 0.000 0.214 1413 G HA3 0.093 4.052 3.960 -0.001 0.000 0.214 1413 G C 1.695 176.648 174.900 0.089 0.000 1.176 1413 G CA 1.122 46.316 45.100 0.157 0.000 0.786 1413 G HN 0.811 nan 8.290 nan 0.000 0.533 1414 A N 0.516 123.373 122.820 0.061 0.000 2.070 1414 A HA 0.142 4.462 4.320 -0.001 0.000 0.220 1414 A C 2.302 179.707 177.584 -0.298 0.000 1.159 1414 A CA 2.064 54.030 52.037 -0.118 0.000 0.656 1414 A CB -0.117 18.838 19.000 -0.074 0.000 0.800 1414 A HN 0.331 nan 8.150 nan 0.000 0.453 1415 S N -1.713 113.868 115.700 -0.199 0.000 2.559 1415 S HA 0.504 4.974 4.470 -0.001 0.000 0.226 1415 S C 0.725 175.290 174.600 -0.058 0.000 1.000 1415 S CA 0.422 58.488 58.200 -0.224 0.000 0.948 1415 S CB 0.421 63.489 63.200 -0.220 0.000 0.870 1415 S HN 1.741 nan 8.310 nan 0.000 0.497 1416 A N 1.946 124.777 122.820 0.018 0.000 2.648 1416 A HA -0.201 4.118 4.320 -0.001 0.000 0.297 1416 A C 0.082 177.684 177.584 0.030 0.000 1.467 1416 A CA 0.555 52.630 52.037 0.064 0.000 0.731 1416 A CB -2.040 17.065 19.000 0.175 0.000 1.085 1416 A HN 0.577 nan 8.150 nan 0.000 0.437 1417 E N -0.736 119.500 120.200 0.060 0.000 2.360 1417 E HA 0.361 4.710 4.350 -0.001 0.000 0.269 1417 E C -0.268 176.403 176.600 0.118 0.000 1.022 1417 E CA -0.530 55.911 56.400 0.068 0.000 0.887 1417 E CB 0.410 30.131 29.700 0.035 0.000 0.990 1417 E HN 0.789 nan 8.360 nan 0.000 0.426 1418 L N 5.233 126.487 121.223 0.053 0.000 2.295 1418 L HA 0.295 4.634 4.340 -0.001 0.000 0.281 1418 L C -1.167 175.728 176.870 0.041 0.000 1.018 1418 L CA -0.383 54.461 54.840 0.006 0.000 0.841 1418 L CB 1.268 43.305 42.059 -0.036 0.000 1.218 1418 L HN 0.389 nan 8.230 nan 0.000 0.424 1419 D N 3.167 123.607 120.400 0.066 0.000 2.339 1419 D HA 0.118 4.757 4.640 -0.001 0.000 0.256 1419 D C 0.669 176.974 176.300 0.009 0.000 1.214 1419 D CA 0.245 54.290 54.000 0.074 0.000 0.877 1419 D CB 0.963 41.848 40.800 0.142 0.000 1.111 1419 D HN 0.522 nan 8.370 nan 0.000 0.478 1420 D N 1.676 122.084 120.400 0.013 0.000 2.219 1420 D HA -0.106 4.533 4.640 -0.001 0.000 0.205 1420 D C 0.576 176.875 176.300 -0.001 0.000 0.970 1420 D CA 0.466 54.468 54.000 0.003 0.000 0.851 1420 D CB 0.005 40.811 40.800 0.010 0.000 0.943 1420 D HN 0.453 nan 8.370 nan 0.000 0.488 1421 C N 0.540 119.842 119.300 0.003 0.000 4.484 1421 C HA -0.152 4.308 4.460 -0.001 0.000 0.308 1421 C C 1.389 176.376 174.990 -0.005 0.000 1.291 1421 C CA -0.104 58.912 59.018 -0.004 0.000 2.078 1421 C CB -2.410 25.319 27.740 -0.018 0.000 1.257 1421 C HN 0.408 nan 8.230 nan 0.000 0.736 1422 R N -0.179 120.321 120.500 -0.000 0.000 2.419 1422 R HA 0.243 4.583 4.340 -0.001 0.000 0.235 1422 R C 1.417 177.710 176.300 -0.012 0.000 0.899 1422 R CA 0.580 56.678 56.100 -0.003 0.000 1.048 1422 R CB 0.436 30.744 30.300 0.013 0.000 1.182 1422 R HN 0.614 nan 8.270 nan 0.000 0.544 1423 G N -0.024 108.771 108.800 -0.009 0.000 2.651 1423 G HA2 0.170 4.129 3.960 -0.001 0.000 0.260 1423 G HA3 0.170 4.129 3.960 -0.001 0.000 0.260 1423 G C 0.885 175.773 174.900 -0.021 0.000 1.216 1423 G CA -0.571 44.521 45.100 -0.014 0.000 0.913 1423 G HN -0.088 nan 8.290 nan 0.000 0.535 1424 V N 0.188 120.088 119.914 -0.024 0.000 2.426 1424 V HA -0.095 4.025 4.120 -0.001 0.000 0.242 1424 V C 3.002 179.082 176.094 -0.023 0.000 1.036 1424 V CA 2.116 64.399 62.300 -0.028 0.000 1.044 1424 V CB -0.157 31.646 31.823 -0.033 0.000 0.688 1424 V HN 0.733 nan 8.190 nan 0.000 0.462 1425 S N 0.844 116.533 115.700 -0.019 0.000 2.368 1425 S HA -0.212 4.258 4.470 -0.001 0.000 0.224 1425 S C 1.753 176.349 174.600 -0.008 0.000 1.029 1425 S CA 1.562 59.754 58.200 -0.015 0.000 0.988 1425 S CB -0.431 62.760 63.200 -0.014 0.000 0.838 1425 S HN 0.800 nan 8.310 nan 0.000 0.462 1426 E N 2.382 122.580 120.200 -0.003 0.000 2.085 1426 E HA -0.142 4.207 4.350 -0.001 0.000 0.194 1426 E C 1.542 178.140 176.600 -0.003 0.000 0.994 1426 E CA 1.042 57.446 56.400 0.006 0.000 0.801 1426 E CB -0.456 29.253 29.700 0.014 0.000 0.743 1426 E HN 0.460 nan 8.360 nan 0.000 0.453 1427 N N 0.750 119.442 118.700 -0.012 0.000 2.396 1427 N HA -0.056 4.684 4.740 -0.001 0.000 0.180 1427 N C 1.871 177.370 175.510 -0.019 0.000 1.028 1427 N CA 0.563 53.601 53.050 -0.019 0.000 0.893 1427 N CB 0.318 38.789 38.487 -0.027 0.000 0.967 1427 N HN 0.046 nan 8.380 nan 0.000 0.440 1428 V N 1.556 121.460 119.914 -0.016 0.000 2.407 1428 V HA -0.083 4.037 4.120 -0.001 0.000 0.245 1428 V C 2.200 178.288 176.094 -0.011 0.000 1.041 1428 V CA 0.898 63.190 62.300 -0.015 0.000 1.040 1428 V CB -0.162 31.653 31.823 -0.015 0.000 0.671 1428 V HN 0.190 nan 8.190 nan 0.000 0.455 1429 I N -0.367 120.198 120.570 -0.007 0.000 2.454 1429 I HA -0.215 3.954 4.170 -0.001 0.000 0.254 1429 I C 1.836 177.949 176.117 -0.006 0.000 1.156 1429 I CA 1.519 62.818 61.300 -0.003 0.000 1.433 1429 I CB -0.090 37.913 38.000 0.005 0.000 1.082 1429 I HN 0.265 nan 8.210 nan 0.000 0.432 1430 L N 0.122 121.339 121.223 -0.010 0.000 2.607 1430 L HA 0.243 4.583 4.340 -0.001 0.000 0.228 1430 L C 1.495 178.354 176.870 -0.018 0.000 1.123 1430 L CA 0.284 55.114 54.840 -0.016 0.000 0.890 1430 L CB -0.089 41.957 42.059 -0.022 0.000 1.103 1430 L HN 0.419 nan 8.230 nan 0.000 0.468 1431 G N 0.322 109.113 108.800 -0.015 0.000 2.168 1431 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.257 1431 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.257 1431 G C 0.147 175.036 174.900 -0.019 0.000 0.997 1431 G CA 0.314 45.405 45.100 -0.015 0.000 0.708 1431 G HN 0.483 nan 8.290 nan 0.000 0.520 1432 Q N -0.791 118.995 119.800 -0.024 0.000 2.306 1432 Q HA 0.749 5.089 4.340 -0.001 0.000 0.269 1432 Q C 0.687 176.665 176.000 -0.036 0.000 1.053 1432 Q CA -0.984 54.801 55.803 -0.030 0.000 0.879 1432 Q CB 1.200 29.919 28.738 -0.033 0.000 1.344 1432 Q HN 0.590 nan 8.270 nan 0.000 0.464 1433 M N -0.387 119.184 119.600 -0.047 0.000 2.277 1433 M HA 0.706 5.185 4.480 -0.001 0.000 0.350 1433 M C -0.506 175.754 176.300 -0.066 0.000 1.180 1433 M CA -0.821 54.444 55.300 -0.058 0.000 1.103 1433 M CB 1.204 33.761 32.600 -0.072 0.000 1.577 1433 M HN 0.580 nan 8.290 nan 0.000 0.459 1434 A N 4.124 126.906 122.820 -0.064 0.000 2.462 1434 A HA 0.386 4.705 4.320 -0.001 0.000 0.243 1434 A C -1.886 175.647 177.584 -0.084 0.000 1.076 1434 A CA -1.303 50.697 52.037 -0.063 0.000 0.773 1434 A CB -0.697 18.271 19.000 -0.053 0.000 1.010 1434 A HN 0.760 nan 8.150 nan 0.000 0.493 1435 P HA 0.065 nan 4.420 nan 0.000 0.277 1435 P C -0.396 176.844 177.300 -0.100 0.000 1.617 1435 P CA 0.592 63.641 63.100 -0.085 0.000 0.829 1435 P CB -1.014 30.660 31.700 -0.043 0.000 1.774 1436 I N -5.228 115.276 120.570 -0.110 0.000 2.693 1436 I HA 0.667 4.837 4.170 -0.001 0.000 0.303 1436 I C 1.027 177.076 176.117 -0.113 0.000 1.025 1436 I CA -0.692 60.541 61.300 -0.111 0.000 1.086 1436 I CB 1.763 39.710 38.000 -0.088 0.000 1.268 1436 I HN 0.157 nan 8.210 nan 0.000 0.440 1437 G N 3.608 112.348 108.800 -0.100 0.000 2.699 1437 G HA2 -0.449 3.510 3.960 -0.001 0.000 0.351 1437 G HA3 -0.449 3.510 3.960 -0.001 0.000 0.351 1437 G C 0.934 175.818 174.900 -0.026 0.000 1.191 1437 G CA 1.511 46.576 45.100 -0.058 0.000 0.953 1437 G HN 0.911 nan 8.290 nan 0.000 0.557 1438 T N 1.433 115.961 114.554 -0.044 0.000 3.025 1438 T HA 0.225 4.574 4.350 -0.001 0.000 0.270 1438 T C 1.828 176.311 174.700 -0.361 0.000 1.126 1438 T CA 2.016 64.080 62.100 -0.060 0.000 1.105 1438 T CB -0.559 68.293 68.868 -0.027 0.000 0.884 1438 T HN 1.283 nan 8.240 nan 0.000 0.522 1439 G N -0.496 108.097 108.800 -0.345 0.000 3.774 1439 G HA2 0.497 4.457 3.960 -0.001 0.000 0.287 1439 G HA3 0.497 4.457 3.960 -0.001 0.000 0.287 1439 G C 0.722 175.374 174.900 -0.412 0.000 1.030 1439 G CA 0.287 45.120 45.100 -0.444 0.000 0.824 1439 G HN 0.420 nan 8.290 nan 0.000 0.518 1440 A N 0.611 123.216 122.820 -0.358 0.000 2.503 1440 A HA 0.669 4.989 4.320 -0.001 0.000 0.263 1440 A C -0.031 177.643 177.584 0.151 0.000 1.360 1440 A CA -0.294 51.691 52.037 -0.086 0.000 0.969 1440 A CB -0.939 18.042 19.000 -0.031 0.000 1.000 1440 A HN 0.876 nan 8.150 nan 0.000 0.530 1441 F N -3.923 116.072 119.950 0.075 0.000 2.829 1441 F HA 0.561 5.088 4.527 -0.001 0.000 0.319 1441 F C -1.656 174.163 175.800 0.031 0.000 1.153 1441 F CA -1.811 56.233 58.000 0.074 0.000 0.912 1441 F CB 0.332 39.398 39.000 0.110 0.000 1.292 1441 F HN -0.120 nan 8.300 nan 0.000 0.447 1442 D N 0.907 121.472 120.400 0.276 0.000 2.340 1442 D HA 0.696 5.335 4.640 -0.001 0.000 0.243 1442 D C -0.979 175.482 176.300 0.269 0.000 0.988 1442 D CA -0.386 53.711 54.000 0.161 0.000 0.959 1442 D CB 2.804 43.650 40.800 0.076 0.000 1.226 1442 D HN 0.453 nan 8.370 nan 0.000 0.509 1443 V N 1.331 121.348 119.914 0.171 0.000 2.715 1443 V HA 0.590 4.709 4.120 -0.001 0.000 0.310 1443 V C -0.041 176.099 176.094 0.076 0.000 1.054 1443 V CA -0.479 61.910 62.300 0.147 0.000 0.928 1443 V CB 1.806 33.720 31.823 0.152 0.000 1.007 1443 V HN 0.449 nan 8.190 nan 0.000 0.437 1444 M N 3.537 123.169 119.600 0.053 0.000 2.569 1444 M HA 0.570 5.050 4.480 -0.001 0.000 0.279 1444 M C -1.083 175.232 176.300 0.025 0.000 1.253 1444 M CA -0.534 54.787 55.300 0.034 0.000 0.867 1444 M CB 2.548 35.164 32.600 0.026 0.000 1.727 1444 M HN 0.332 nan 8.290 nan 0.000 0.467 1445 I N 1.075 121.659 120.570 0.022 0.000 2.696 1445 I HA 0.080 4.249 4.170 -0.001 0.000 0.284 1445 I C -0.238 175.886 176.117 0.012 0.000 1.129 1445 I CA 0.198 61.509 61.300 0.018 0.000 1.410 1445 I CB 0.414 38.425 38.000 0.019 0.000 1.399 1445 I HN 0.569 nan 8.210 nan 0.000 0.579 1446 D N 4.382 124.787 120.400 0.008 0.000 2.414 1446 D HA 0.144 4.784 4.640 -0.001 0.000 0.232 1446 D C -0.351 175.951 176.300 0.004 0.000 1.070 1446 D CA -0.464 53.538 54.000 0.003 0.000 0.839 1446 D CB 1.070 41.869 40.800 -0.002 0.000 1.079 1446 D HN 0.330 nan 8.370 nan 0.000 0.521 1447 E N 3.018 123.220 120.200 0.004 0.000 2.122 1447 E HA 0.189 4.539 4.350 -0.001 0.000 0.288 1447 E C -0.049 176.552 176.600 0.001 0.000 1.260 1447 E CA 0.311 56.714 56.400 0.004 0.000 1.344 1447 E CB 0.129 29.832 29.700 0.005 0.000 1.337 1447 E HN 0.586 nan 8.360 nan 0.000 0.484 1448 E N 0.064 120.265 120.200 0.000 0.000 3.454 1448 E HA 0.059 4.409 4.350 -0.001 0.000 0.208 1448 E C -0.317 176.282 176.600 -0.001 0.000 1.153 1448 E CA 0.314 56.713 56.400 -0.002 0.000 1.553 1448 E CB 0.167 29.864 29.700 -0.005 0.000 1.423 1448 E HN 0.331 nan 8.360 nan 0.000 0.662 1449 S N 2.626 118.325 115.700 -0.001 0.000 3.116 1449 S HA -0.082 4.388 4.470 -0.001 0.000 0.367 1449 S C 0.417 175.018 174.600 0.002 0.000 1.202 1449 S CA 0.166 58.366 58.200 -0.000 0.000 1.018 1449 S CB -0.200 63.001 63.200 0.001 0.000 0.726 1449 S HN 0.150 nan 8.310 nan 0.000 0.506 1450 L N 0.000 121.224 121.223 0.001 0.000 2.949 1450 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 1450 L CA 0.000 54.841 54.840 0.002 0.000 0.813 1450 L CB 0.000 42.060 42.059 0.001 0.000 0.961 1450 L HN 0.000 nan 8.230 nan 0.000 0.502